smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOC(=O)C1=C(C)Nc2c(cnn2-c2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 1401036 FWAVMSACZIUSCG-HXUWFJFHSA-N 411.864 5.059 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 1847503 ABOVRDBEJDIBMZ-UHFFFAOYSA-N 417.136 6.675 0 40 HKAB biogenic,in-vitro Cc1ccc(OCCCC(=O)Nc2ccc(I)cc2C)c(C)c1 1914081 RYNQQBAGBRWWPK-UHFFFAOYSA-N 423.294 5.014 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 2170291 GTJXITYSNNUZDN-UHFFFAOYSA-N 401.963 5.020 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)NC3CCCCC3)c2C(=O)OC)C1 2743032 NJJSZERCNRJVGR-AWEZNQCLSA-N 406.592 5.530 0 40 HKAB Clc1ccc(CSc2ccccc2-c2nnc(-c3ccc(Cl)cc3)o2)cc1 3050304 QTFAHZFAXNWOOD-UHFFFAOYSA-N 413.329 7.003 0 40 HKAB Cc1ccc(S(=O)(=O)CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 3128367 NAIPLWAEVVLCJR-UHFFFAOYSA-N 421.345 5.012 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(Nc3ccc(C)c(Cl)c3)sc2Cl)cc1 3191321 DXJSWEQSBNIBKQ-UHFFFAOYSA-N 413.351 5.643 0 40 HKAB Cc1c(C(=O)NCCC(c2ccccc2)c2ccccc2)oc2c1ccc1ccccc12 3377283 JDEQYDFFRWWVMN-UHFFFAOYSA-N 419.524 6.846 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2CCN=C2SCc2c(F)cccc2Cl)cc1 4120145 MXDCVEAFGXFONT-UHFFFAOYSA-N 404.938 5.522 0 40 HKAB Cc1cc(C(c2ccccc2)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1 4522179 OEEIJGBOHAMUKT-UHFFFAOYSA-N 413.542 5.976 0 40 HKAB COc1ccc(C(=O)N2c3ccccc3[C@](C)(c3ccc(Cl)cc3)CC2(C)C)cc1 4616901 BELNSFNLABHWLS-SANMLTNESA-N 419.952 6.484 0 40 HKAB aggregator CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2C)n2c(nc3ccccc32)N1 4742062 AINJVOLWYOSZFO-QHCPKHFHSA-N 412.468 5.411 0 40 HKAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2Cl)n2c(nc3ccccc32)N1 4767911 PPPUKPRMVBDMKF-JOCHJYFZSA-N 421.928 5.855 0 40 HKAB CCC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@@H]1c1ccc(Cl)cc1 4815119 UNZDZFFKLDZPGY-MSOLQXFVSA-N 401.297 5.062 0 40 HKAB O=C(O)c1cc(/C=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2ccccc12 5234286 YATQJLYJFMNYJX-VOTSOKGWSA-N 410.256 6.670 0 40 HKAB Cc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 5545755 SJWGGLLXGOAZHU-KRWDZBQOSA-N 403.913 5.537 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccccc3OC)c3ccccc3n2)c(OC)c1 6127431 VDHGCDXMITUYDX-UHFFFAOYSA-N 414.461 5.180 0 40 HKAB Cc1ccc(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@H](C)OC3=O)cc1 6233831 XVGXFYAIWPWCCX-AMGQUURNSA-N 422.521 5.761 0 40 HKAB C[C@@H](OC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)C(=O)NC1CCCC1 6558167 YFHHTVBHXCVMOW-OAHLLOKOSA-N 422.912 5.159 0 40 HKAB COc1ccc([C@@H](NC(=O)c2c(C)nn(-c3ccccc3)c2C)c2ccccc2)cc1 6880813 NFAJPBFLNJLTBX-VWLOTQADSA-N 411.505 5.017 0 40 HKAB Cc1ccc(SCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 6923570 KQRMXXIEEMYFQV-UHFFFAOYSA-N 400.396 5.444 0 40 HKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2cccs2)cc1 8024974 PWTSIVGTYSSOPJ-NRFANRHFSA-N 405.910 5.850 0 40 HKAB CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(OCc2c(C)noc2C)cc1 8323837 VNVYICPITYBYCG-UHFFFAOYSA-N 418.493 5.451 0 40 HKAB C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)c1ccc(F)cc1 8723987 XQPJPMYMXSPCSQ-GUYCJALGSA-N 418.921 5.221 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1c1ccccc1Cl 8754826 FWAFAQWRCMTROG-KRWDZBQOSA-N 419.887 5.398 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 8902655 NVSSYFMKWWSPHO-UHFFFAOYSA-N 419.506 5.691 0 40 HKAB CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1cccc(C)c1C 9002249 IUXDJNJYCKZLCA-UHFFFAOYSA-N 415.536 5.009 0 40 HKAB O=C(/C=C/c1ccc(Br)o1)N1CCC[C@H]1c1nc2ccccc2s1 9460373 BSBDYDZGZYPUQQ-PLWJUESGSA-N 403.301 5.029 0 40 HKAB Cc1cc(NC(=O)[C@H](Sc2nc3cc(Cl)ccc3s2)c2ccccc2)no1 9583628 MZAAVLFVJLEOBL-QGZVFWFLSA-N 415.927 5.718 0 40 HKAB O=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1ccccc1Br 9874827 HXJIWNKMFZIJKJ-UHFFFAOYSA-N 415.287 5.075 0 40 HKAB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(-c5ccccc5)o4)cc3)oc2cc1C 10120424 ZPAGLYIGPCEWOV-UHFFFAOYSA-N 422.484 6.302 0 40 HKAB CCOc1ccc(N2C(=O)S/C(=C\c3cccc(Br)c3)C2=O)cc1 12136839 WXFTZALTDMJRMY-WJDWOHSUSA-N 404.285 5.089 0 40 HKAB COc1cccc(NC(=O)[C@H](Sc2nnc(-c3ccoc3C)o2)c2ccccc2)c1 12600981 OZJAHOKMEMQVFF-LJQANCHMSA-N 421.478 5.119 0 40 HKAB Cc1ccc(-n2c(SCCc3c(C)noc3C)nnc2-c2ccc(Cl)cc2)cc1 13149370 OTRYZAXGZYQAGG-UHFFFAOYSA-N 424.957 5.836 0 40 HKAB CC[C@H]1CN(Cc2ccccc2)Cc2cc3cccc(Cc4ccccc4)c3nc2O1 13563876 UOQCIPNRRTWTDY-SANMLTNESA-N 408.545 5.999 0 40 HKAB O=C(Nc1ccc(NC(=O)Nc2ccccc2Cl)cc1)Nc1ccccc1Cl 19075275 VVYAYZZSYSJXHE-UHFFFAOYSA-N 415.280 6.281 0 40 HKAB Cc1cccc(-c2noc([C@@H](C)NC(=O)c3c(-c4ccccc4Cl)noc3C)n2)c1 19666665 HFHJWYWKWJRXOC-CYBMUJFWSA-N 422.872 5.153 0 40 HKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20499863 ILFDJCHBIWHQFD-QFIPXVFZSA-N 406.913 6.264 0 40 HKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(Cl)c2)n2c(nc3ccccc32)N1 20797280 HVDAGUUAWCTFKO-JOCHJYFZSA-N 414.896 5.617 0 40 HKAB CC(C)CCc1cc(=O)[nH]c(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)n1 20798219 YPXQCIXLZJYGQQ-UHFFFAOYSA-N 419.916 5.366 0 40 HKAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cc(Cl)c(N)c(Cl)c1 22023999 KMCNMASHMWLYDG-UHFFFAOYSA-N 409.704 5.035 0 40 HKAB Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCCCCC2)cc1 27584081 SOCGWJRSOLKLDT-HSZRJFAPSA-N 414.977 5.069 0 40 HKAB Cc1cc2oc(C(=O)NC[C@H](c3cccs3)N3CCCCCC3)c(C)c2cc1C 28287047 RDNJUWCJUFRNLV-HXUWFJFHSA-N 410.583 5.767 0 40 HKAB C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 28291126 BTRNZOWHUQKECY-AWEZNQCLSA-N 419.283 5.528 0 40 HKAB CC(=O)c1ccc(C(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)s1 29476327 YXLWEXNLOFTUOU-UHFFFAOYSA-N 416.574 6.117 0 40 HKAB COc1ccc(CC(=O)Nc2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 32623599 SEQYZXVMIUWCTB-UHFFFAOYSA-N 419.868 5.247 0 40 HKAB Cc1cc(Br)cc(Cl)c1NC(=O)c1ccc(OC(F)(F)F)cc1 36397527 PTUGLXUGVZCWFG-UHFFFAOYSA-N 408.601 5.562 0 40 HKAB Cc1ccc(-c2nn(CC(=O)Nc3ccccc3C)c(-c3ccc(C)cc3)c2C)cc1 36611606 JALQHDDBDYSFOZ-UHFFFAOYSA-N 409.533 6.089 0 40 HKAB O=C(COc1ccccc1-c1noc(-c2ccccc2F)n1)Nc1ccc(Cl)cc1 40488361 RYFNGXKSCMASBQ-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB CCOc1ccccc1CCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 44904975 ZWXGILPOZOURQX-UHFFFAOYSA-N 412.382 5.374 0 40 HKAB COc1ccc(CN2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccccc2F)cc1 45941486 HHBQHIUMRBVPTI-QHCPKHFHSA-N 403.453 5.196 0 40 HKAB CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(CC)cc2)cc1 59483209 MKJMDGRHFCTCSJ-SANMLTNESA-N 414.549 6.589 0 40 HKAB CCOc1cc(-c2ccc(OC)cc2)nc2ccc(NC(=O)Cc3ccccc3)cc12 65033888 YEAVCDBNIVYABP-UHFFFAOYSA-N 412.489 5.490 0 40 HKAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CCn4cccc4)C3)c(-c3ccncc3)c2c1 72396850 CTDQTRJLOHCYHU-OAQYLSRUSA-N 412.537 5.136 0 40 HKAB CC(C)n1c(CCc2nc3cc(Cl)ccc3n2C(C)C)nc2cc(Cl)ccc21 82086822 WGCLZGVYZYUSNP-UHFFFAOYSA-N 415.368 6.640 0 40 HKAB Cc1ccc(N2C(=O)N(C(=O)c3ccc(F)cc3)[C@H]3C[C@@]2(C)Oc2ccccc23)cc1 101269592 FHANFYLTNCNNPO-SQJMNOBHSA-N 416.452 5.457 0 40 HKAB O=P(O)(Oc1ccc(-c2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1 143286777 FSIVVLAUMQMXOT-UHFFFAOYSA-N 402.386 6.579 0 40 HKAB Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CSc1nc2ccccc2o1 199413910 DRUMRTPPQFKQRU-UHFFFAOYSA-N 413.502 5.342 0 40 HKAB Cc1ccc(NC(=O)/C(=C/c2cccnc2Cl)C(=O)Nc2ccccc2)c(C)c1 215739047 LPEPHMMPWPXHLF-XMHGGMMESA-N 405.885 5.013 0 40 HKAB CC[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(C)cc1C 219847275 RHKJPNRQGHKPPY-DEOSSOPVSA-N 407.941 6.417 0 40 HKAB COc1ccc(-c2nnc(NC(=O)c3cccc(OCc4ccccc4)c3)s2)cc1 222830459 VBCOTZDHUDRZJF-UHFFFAOYSA-N 417.490 5.045 0 40 HKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 222936497 QGWYIOLYPWTLHU-RTWAWAEBSA-N 411.958 5.624 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1C1CCCCC1 223106213 ZFRKWSCUESFGOK-PKTZIBPZSA-N 408.615 5.694 0 40 HKAB COc1ccc2cc(S(=O)(=O)N[C@H](c3ccccc3)c3ccccc3C)ccc2c1 224169715 VZPBAFKNJFSAJL-RUZDIDTESA-N 417.530 5.225 0 40 HKAB COc1cccc(OCc2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2OC)c1 224259208 LXAKLBXBKXKTET-UHFFFAOYSA-N 405.494 5.460 0 40 HKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1C1CC1 224457948 VTWGIHJFDJGYOM-YADHBBJMSA-N 422.985 5.665 0 40 HKAB CCOc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1COC(C)C 224719133 UNHRZNFONCFMBH-UHFFFAOYSA-N 417.549 5.853 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COCc1ccccc1 224753383 GISUESIRUNJPKJ-NRFANRHFSA-N 417.549 5.553 0 40 HKAB S=C(NCCSCc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1 225363679 UWXOAOWGELTQKS-UHFFFAOYSA-N 405.803 5.867 0 40 HKAB CCCCn1c(SCc2cccc(OC)c2)nc2c(-c3ccccc3)c[nH]c2c1=O 225547993 GBGXXTRFCQIYGN-UHFFFAOYSA-N 419.550 5.493 0 40 HKAB CCc1cc(Br)cc(CC)c1NC(=O)c1c(C)nc2ccc(C)cn12 226096287 RBCUBIAMHSGHNA-UHFFFAOYSA-N 400.320 5.091 0 40 HKAB Cc1scc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)c1C 257240183 HSLZBVILTZRCQF-SHTZXODSSA-N 401.557 5.180 0 40 HKAB CCCc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)OC(C)(C)C)CC2)n1 257250845 JOGYQIHQKAIFQK-UHFFFAOYSA-N 417.579 5.052 0 40 HKAB Cc1csc(C(=O)N2CCCC[C@@H]2c2nnc(-c3nccc4ccccc34)o2)c1 257332643 XYCPHNJUYUZLMF-QGZVFWFLSA-N 404.495 5.022 0 40 HKAB CCCCOc1ccc(CC(=O)O)cc1-c1cc(-c2cccc(F)c2)n(CCCC)n1 257333960 YDWYNMNAXQJIAN-UHFFFAOYSA-N 424.516 5.962 0 40 HKAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N[C@@H](c1ccsc1)c1cccs1 390826617 NVTOPBCTABMNAH-INIZCTEOSA-N 417.499 5.037 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1 408678619 UAHYNVGZGRMUKI-UHFFFAOYSA-N 418.880 5.398 0 40 HKAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1 409001743 JZEIKROKUOGSIT-DVECYGJZSA-N 416.521 5.633 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@H]21)c1ccccc1 409373992 WJOHIRJIOFEECP-UDCKCYQBSA-N 417.508 5.749 0 40 HKAB O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 514571110 RUYRZBOLTRRZFS-SSAUXNHXSA-N 409.492 5.946 0 40 HKAB Cc1ccccc1N1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C1=S 625317 ZYQFMWLIKVGQJQ-VWNXMTODSA-N 423.541 5.124 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1I 675396 GQCYYMGJJOHUOE-UHFFFAOYSA-N 406.050 5.159 0 40 HKAB Cc1cc(C)c(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)c(C)c1 866615 AWMLJLFPSPKXQA-BAWWGMJKSA-N 407.513 5.183 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-c2ccccc2)c(C)c1 869878 HQGGKPHOMHYITM-UHFFFAOYSA-N 420.582 5.663 0 40 HKAB CCOc1ccc2nc(SCC(=O)c3ccc(Br)cc3)sc2c1 1058726 XULKLIDPZJXMID-UHFFFAOYSA-N 408.342 5.433 0 40 HKAB Cc1nc(SCC(=O)Nc2c(C)cccc2C)c2c3c(sc2n1)C[C@@H](C)CC3 1326133 SPANVIQJYNZYPA-LBPRGKRZSA-N 411.596 5.472 0 40 HKAB COc1ccc2c(c1)N(C(=O)c1cccc(C)c1)C(C)(C)c1ssc(=S)c1-2 2068780 XVGDYEBWCMUSOR-UHFFFAOYSA-N 413.589 6.419 0 40 HKAB CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc3c(Br)cccc3c2)cc1 2069708 GFEQHJNEELPGMI-UHFFFAOYSA-N 419.340 5.668 0 40 HKAB Cc1c(C(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)c2ccccc2n1C 2093846 FUEQNPXJPMGTFV-UHFFFAOYSA-N 423.468 5.522 0 40 HKAB biogenic CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)cc1 2177299 ARUBXTZAIBFTSZ-AATYUJHQSA-N 401.937 6.458 0 40 HKAB CCCCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2 2258113 NGIFTCQCXSGASE-UHFFFAOYSA-N 420.578 5.812 0 40 HKAB Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc(C)ccc2C)c1 2431576 IPSQPWISSQQTAB-UHFFFAOYSA-N 418.522 5.099 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 2451226 INOUQVYTVQGTAI-UHFFFAOYSA-N 414.534 5.282 0 40 HKAB Cc1ccc(OP(=O)(Nc2ccc(OC(C)C)cc2)Oc2ccc(C)cc2)cc1 2594833 DNRUMYYHISFDSN-UHFFFAOYSA-N 411.438 6.769 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 2659619 DPJLCTXLRQRWAZ-UHFFFAOYSA-N 407.514 6.219 0 40 HKAB O=c1c2c(nc(SCc3c(F)cccc3Cl)n1-c1ccc(F)cc1)CCS2 2719975 IKNLQRFNBUYNPN-UHFFFAOYSA-N 422.909 5.105 0 40 HKAB COc1ccc(-c2csc3ncnc(N4CCC(Cc5ccccc5)CC4)c23)cc1 2889004 HDYCXDFNPPKISD-UHFFFAOYSA-N 415.562 5.826 0 40 HKAB Cn1c(SCc2ccc(C(C)(C)C)cc2)nc(-c2ccccc2)c1-c1ccccc1 3135137 BSMQRJKIQJGALV-UHFFFAOYSA-N 412.602 7.344 0 40 HKAB CN(C)CCCN(Cc1ccccc1)C(=S)Nc1ccc(Oc2ccccc2)cc1 3357358 SAUNGZVTJIQDKR-UHFFFAOYSA-N 419.594 5.630 0 40 HKAB Cc1ccc(COc2cc(O)c3c(c2)C=CCCCC(=O)CCC[C@H](C)OC3=O)cc1 4073360 XVGXFYAIWPWCCX-IBGZPJMESA-N 422.521 5.761 0 40 HKAB biogenic O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cccc(Br)c3)[C@H]12 4119527 MMLHVFADLFMJOB-SIKLNZKXSA-N 420.331 6.229 0 40 HKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 4488154 SIKBIKUDFUDVIQ-UHFFFAOYSA-N 412.873 5.290 0 40 HKAB CCOC(=O)c1ccc(-c2nnc(Sc3nc(C)cc(C)n3)c3ccccc23)cc1 4616768 YSRLOXLAVSKDFJ-UHFFFAOYSA-N 416.506 5.032 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(c3nc(-c4ccc(C(C)C)cc4)c(C)s3)C(=O)[C@@H]21 4651939 YNPHMVQAAKOGKZ-NZXJAIKPSA-N 420.578 5.724 0 40 HKAB Cc1ccc(S[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 4690697 PTZNKDOKWYNCTL-CQSZACIVSA-N 414.423 5.832 0 40 HKAB Cc1c(CC(=O)N2CCCCC2)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 4744423 SXMNIJNUDLSQIC-UHFFFAOYSA-N 419.452 5.209 0 40 HKAB COc1ccc(C2=NN(C(=O)/C=C/c3ccccc3)[C@H](c3ccc(F)cc3)C2)cc1 4860452 DMRIZUFQZAUORJ-NRESZANFSA-N 400.453 5.225 0 40 HKAB COc1cccc(Cn2cc3c(-c4ccc(C)cc4)nnc-3c3cc(OC)ccc32)c1 5028627 MBBXMYTVUSXIBD-UHFFFAOYSA-N 409.489 5.577 0 40 HKAB CC1(C)[C@H]2CC[C@]1(C)c1nc(SCC(=O)c3ccc(-c4ccccc4)cc3)nnc12 5060049 AHURRZZITXAHIK-UQBPGWFLSA-N 415.562 5.689 0 40 HKAB CC(C)Sc1nc(NCCc2ccccc2)c2c3c(sc2n1)COC(C)(C)C3 5164799 HYOVDGHDVMCPBV-UHFFFAOYSA-N 413.612 5.698 0 40 HKAB Cc1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cc1Cl 5237466 PIDIEIXGFMKILN-UHFFFAOYSA-N 415.880 5.318 0 40 HKAB Cn1c(NC(=O)C2CCCCC2)c(-c2cccc3ccccc23)c(=O)c2ccccc21 5267623 RYSFHGFUFODEQY-UHFFFAOYSA-N 410.517 5.878 0 40 HKAB CCCCN(CCCC)CCCN[C@H](c1ccc(Cl)cc1)c1ccc(OC)cc1 5551680 MGPDEDSLLJBNBZ-RUZDIDTESA-N 417.037 6.320 0 40 HKAB C=CP(CCP(CCP(C=C)N(CC)CC)c1ccccc1)N(CC)CC 5721705 GBGNDUYELHDBOH-UHFFFAOYSA-N 424.490 6.558 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 5754561 VEJLJRLUJREVRT-CSNVJCEJSA-N 411.325 5.089 0 40 HKAB O=c1[nH]c2c(cc1CNc1ccccc1)c(-c1ccc(F)cc1)nn2-c1ccccc1 6080141 KVHGWWYRDMOVFI-UHFFFAOYSA-N 410.452 5.132 0 40 HKAB CCC(CC)NC(=O)COc1cc2ccccc2cc1C(=O)Nc1ccccc1C 6127392 HWCRKDKFQDVLTO-UHFFFAOYSA-N 404.510 5.084 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OCC 6207220 TWLLIULHOPQRNC-UHFFFAOYSA-N 412.711 5.461 0 40 HKAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC 6215502 OTCMNCPTKXPGFV-MHWRWJLKSA-N 403.478 5.928 0 40 HKAB COc1ccc(/C=C(\Cl)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)cc1 6509894 MMDGYJHDXJZRBY-ZROIWOOFSA-N 400.912 5.459 0 40 HKAB CC(C)(C)C(=O)NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 6707979 CBEMWTDLICOYFZ-UHFFFAOYSA-N 403.507 5.507 0 40 HKAB Cc1ccc(C)c(CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)c1 6787882 NZXJVPWZYNUIOK-UHFFFAOYSA-N 410.564 5.625 0 40 HKAB Cc1ccc(-c2nnc([C@@H](C)Sc3nc(C4CC4)n(-c4ccccc4)n3)o2)cc1 7114017 JOYYGLDQTDSZPZ-OAHLLOKOSA-N 403.511 5.356 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCC[C@H]4CCCC[C@@H]43)o2)cc1 7383825 TZXIPMBUOQPQQY-APWZRJJASA-N 413.587 5.307 0 40 HKAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(CSc2ccccc2)cc1C 8041144 HMLWOROFWGQAAM-QFIPXVFZSA-N 409.526 6.223 0 40 HKAB O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCC2 8440447 ORGRIBIMMPFAEW-UHFFFAOYSA-N 424.953 5.714 0 40 HKAB COc1cc(CNC23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(Cl)nc1 8471797 HVUFWXFGLWOFEO-UHFFFAOYSA-N 412.961 5.381 0 40 HKAB O=C(NC1CCCCC1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 8476804 MCAHDKZYBFFXSE-UHFFFAOYSA-N 415.324 5.304 0 40 HKAB O=C(Oc1ccc(-c2nccc(-c3ccccn3)n2)cc1)c1cccc(C(F)(F)F)c1 8672247 GNPPJOXZHDGDPE-UHFFFAOYSA-N 421.378 5.444 0 40 HKAB COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccc(Cl)cc3)cc2O)cc1 9129671 WSSHXACYMMBJPG-UHFFFAOYSA-N 421.880 6.264 0 40 HKAB biogenic CCOc1ccc(Cl)cc1NC(=O)c1ccccc1OCCOc1ccccc1 10154913 OLWZZSZRLPAAJK-UHFFFAOYSA-N 411.885 5.449 0 40 HKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccccc2)n(Cc2ccco2)c1C 11692099 PUMRJDHPDJCCOH-UHFFFAOYSA-N 410.477 5.542 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccc(Cl)cc1)N1N=C(c3ccccc3)C[C@@H]21 12273696 MMERVNWSGQXRKE-XUZZJYLKSA-N 404.897 5.981 0 40 HKAB CN(CCCN1c2ccccc2CCc2ccccc21)C(=O)c1ccc2ccccc2n1 12414089 ARSHEFGJJQEZGI-UHFFFAOYSA-N 421.544 5.634 0 40 HKAB CC(C)(C)c1cc(CCC(=O)N2CCC[C@H]2c2ccncc2)cc(C(C)(C)C)c1O 12515910 JTIVCBYOHHJGRH-QFIPXVFZSA-N 408.586 5.679 0 40 HKAB CCCCn1c(-c2ccc(OC)c(Br)c2)cs/c1=N\c1ccccc1 12601884 WIQCSRRTTXIIAG-XDOYNYLZSA-N 417.372 6.020 0 40 HKAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1cc(Cl)ccc1Cl 12980930 UYHBMVJMICRCNQ-UHFFFAOYSA-N 400.327 5.682 0 40 HKAB O=C(CSc1nc(/C=C/c2ccccc2)nc2ccccc12)c1cc(F)ccc1F 13030053 ZGMTZWVJFQJLLH-JLHYYAGUSA-N 418.468 6.053 0 40 HKAB COc1ccc(Cc2c(Cl)nc(SC)nc2Oc2ccc(Cl)cc2)cc1 15584364 PCDDXFSGIALIMD-UHFFFAOYSA-N 407.322 5.897 0 40 HKAB COc1ccc(C(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)c(OC)c1 19691116 XGYZKVRRQGWTEN-UHFFFAOYSA-N 416.521 5.094 0 40 HKAB CCc1cc([C@@H](c2ccc(F)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 19880680 NMJLQMBUDFXZOL-JOCHJYFZSA-N 424.541 5.124 0 40 HKAB COc1c2c(cc3c1[C@H](CC(=O)C(CC=C(C)C)CC=C(C)C)N(C)CC3)OCO2 20111784 IRNPTFWPDQAYHG-FQEVSTJZSA-N 413.558 5.241 0 40 HKAB biogenic CC[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(C)cc1 20455270 VAAUMBGGYOMJPO-IBGZPJMESA-N 412.327 5.557 0 40 HKAB O=C(Nc1ccccc1Cl)[C@@H]1CC(O)=Nc2c(-c3ccc(Cl)cc3)cnn21 20744490 MUGJXEQPPJUMJP-INIZCTEOSA-N 401.253 5.028 0 40 HKAB S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(-c2cc(Cl)ccc2Cl)o1 22111349 WWQAPNOFCMKXAA-UHFFFAOYSA-N 418.309 5.313 0 40 HKAB Cc1nc(-c2ccc(CCNC(=O)Cc3nc(-c4cccs4)oc3C)cc2)cs1 24837161 NMKZSZUUJYFNIW-UHFFFAOYSA-N 423.563 5.045 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)oc2c1 27993382 GNKKCGMWHJFFHA-HXUWFJFHSA-N 410.945 5.578 0 40 HKAB Cc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccc(Cl)cc1 28527838 UFACRSUTNDYWNF-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CSc3ccc4ccccc4c3)ccc21 32692412 AYVSFZASFFNQCA-UHFFFAOYSA-N 410.542 6.698 0 40 HKAB O=C1CCCC[C@@H]1Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 32940056 OMELHYOWAWHXDJ-FQEVSTJZSA-N 422.941 5.673 0 40 HKAB O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)Nc1ccc(Cl)c(Cl)c1 33656708 CKZAGWQUNCKDAL-UHFFFAOYSA-N 423.299 5.818 0 40 HKAB Cc1cccc2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)oc12 41306820 MAGOBXDQNGXIHU-UHFFFAOYSA-N 410.517 5.289 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(CN2CCc3ccccc32)cc1 44884034 ALVCGFBBLBUVHG-UHFFFAOYSA-N 418.540 5.769 0 40 HKAB CC(C)n1c(SCC(=O)N(C)C2CCCCC2)nnc1-c1cc2ccccc2o1 48513713 HKYYXGXHCIAUEA-UHFFFAOYSA-N 412.559 5.155 0 40 HKAB COc1ccc(CC2=CCC[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 51330399 CTZHBEXIMJUKEA-XCZPVHLTSA-N 424.544 6.200 0 40 HKAB CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)C1CCCC1 72370722 ISHNGEZYDHABHL-GOSISDBHSA-N 412.599 5.107 0 40 HKAB O=C(C1CCC1)N1CCCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 72391349 JSDAFVZRZFRCJT-QFIPXVFZSA-N 413.525 5.136 0 40 HKAB Cc1cc(C(=O)CSCc2cc(Cl)c3c(c2)OCO3)c(C)n1-c1nccs1 84081464 MNRDCCYMJRJVJV-UHFFFAOYSA-N 420.943 5.049 0 40 HKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 216338310 MEOFXBMQIWOOPL-QFIPXVFZSA-N 408.542 5.116 0 40 HKAB CCCNC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 219766051 IYZRHDOMBZKGTQ-UHFFFAOYSA-N 422.912 5.311 0 40 HKAB Cc1ccc(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1C 223423968 USAJHXVAEYHJQG-HAVVHWLPSA-N 405.925 5.693 0 40 HKAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccccc1C(C)C 224226545 COBKTOIPMLPTQU-UHFFFAOYSA-N 403.522 5.636 0 40 HKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CC2)c1C 224559174 GTLXBVRJSWPICG-GOTSBHOMSA-N 418.566 5.021 0 40 HKAB Fc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)cc1Cl 225364785 MPGYJRJTRYOQTM-UHFFFAOYSA-N 423.793 6.006 0 40 HKAB Fc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)cc1F 225365188 NCGHFGWOGQVNSP-UHFFFAOYSA-N 407.338 5.491 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1)c1ccc(C)c(C)c1 225370511 IFCKKRZVAYMCSQ-VNLJKWRZSA-N 416.521 5.243 0 40 HKAB CCCN(CCC)c1ccc(N)cc1C(=O)Nc1c(Cl)cc(Cl)cc1Cl 226324610 UNLDSTSDWGYGDH-UHFFFAOYSA-N 414.764 6.108 0 40 HKAB Cc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccccc2Br)o1 226756058 LHQWPDUDOFNRCX-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB Cc1cc(N)cc(Cl)c1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 227145787 MXMDLFZXBYJGLW-QPJJXVBHSA-N 421.711 6.449 0 40 HKAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)n1 257328714 XGVBQZFQPQOXFK-NRFANRHFSA-N 424.548 5.272 0 40 HKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccccc2Sc2ccccc2)S1 260753179 BPSSCIFRCNXIPC-NPFVIJTESA-N 403.576 5.822 0 40 HKAB O=C(NCc1ccccc1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 408692018 BKOJOKDNWWETGJ-UHFFFAOYSA-N 423.303 5.171 0 40 HKAB Cc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2cc(Cl)ccc2C)n1 408699195 SDBFGKFITHLIIZ-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3)n2)cc1 408699360 TUBXLKDLWXCMSG-UHFFFAOYSA-N 416.912 5.711 0 40 HKAB Clc1ccc(CSc2nnc(COc3ccc4ccccc4c3)o2)c(Cl)c1 409008206 WLIBIRQQAJNGRT-UHFFFAOYSA-N 417.317 6.401 0 40 HKAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1 409017960 OAGDLUAOKLQJRY-UHFFFAOYSA-N 424.850 5.158 0 40 HKAB CCOc1c(Br)cc(Br)cc1-c1nc2ccccc2s1 409190307 WMKDMWGDHLLESJ-UHFFFAOYSA-N 413.134 5.887 0 40 HKAB O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1 843696 AOIQTVSYFQHFGT-CSKARUKUSA-N 409.239 5.502 0 40 HKAB O=C(Nc1ccccc1)c1cc(Oc2ccc(Br)cc2)nc2ccccc12 864928 QPLWNLVIMRCSLD-UHFFFAOYSA-N 419.278 6.042 0 40 HKAB COc1ccc(-c2nc3ccc(Br)cn3c2NC2CCCCC2)cc1O 904260 QBKXNNBDSJUZJO-UHFFFAOYSA-N 416.319 5.223 0 40 HKAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCC3)o2)cc1 1001671 QQVIKOXCMOULDV-UHFFFAOYSA-N 416.930 5.127 0 40 HKAB Clc1cccc(-n2cc3c(c2)CCc2cn(-c4cccc(Cl)c4)cc2CC3)c1 1239750 CUSPUQHTJVFWED-UHFFFAOYSA-N 407.344 6.459 0 40 HKAB CCc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(CC)ccc4o3)c2)cc1 1413924 VHYDVXUASMKHLQ-UHFFFAOYSA-N 400.478 5.637 0 40 HKAB Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)N2CCCC2)c(C)c1 1720221 SMEZXTBXLFSIDO-RRPNLBNLSA-N 413.561 6.347 0 40 HKAB Clc1ccc(SC2=CC[C@@H]3C[C@H]2CC=C3Sc2ccc(Cl)cc2)cc1 2051103 JOVKNWKNQJSUOX-HUUCEWRRSA-N 405.415 8.076 0 40 HKAB COc1ccc(CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)cc1 2386757 LPBLKAMBRVGCKU-UHFFFAOYSA-N 412.536 5.017 0 40 HKAB Cc1ccc(Cl)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1 2438355 GOZFTIOJCBPSNU-UHFFFAOYSA-N 424.913 5.136 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Sc2ccccn2)cc1 2562092 HIICQUGIINLZKN-UHFFFAOYSA-N 421.909 6.102 0 40 HKAB Cc1cc(C(=O)CSc2nnc3ccccn23)c(C)n1CCc1ccc(Cl)cc1 2618205 SLCPRONCZMWRCV-UHFFFAOYSA-N 424.957 5.019 0 40 HKAB COc1ccc(-c2nc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc2C)cc1 2643008 WHOPBNVYNPQAIH-UHFFFAOYSA-N 416.930 5.577 0 40 HKAB Cc1ccc(NCc2nnc(SCC(=O)c3ccccc3)n2-c2ccccc2)cc1 2684284 WEAAFGYIJZSELA-UHFFFAOYSA-N 414.534 5.163 0 40 HKAB Fc1cccc(Cn2cc3c(-c4ccc5c(c4)OCO5)nnc-3c3cc(F)ccc32)c1 2688731 AANIRCFSRWGMLP-UHFFFAOYSA-N 415.399 5.258 0 40 HKAB CCCOc1ccnc(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)n1 2743511 YVQJLEITMJAAPG-UHFFFAOYSA-N 423.925 5.579 0 40 HKAB Cn1nc(C(F)(F)F)c(CNc2ccc(F)cc2F)c1Sc1ccc(F)cc1 3050998 JYJCSVBQSKHNGJ-UHFFFAOYSA-N 417.378 5.620 0 40 HKAB CN1/C(=C2/C=NN(c3ccccc3)[P@@]2(=O)N2CCCC2)C(C)(C)c2ccccc21 3184765 ZAICYCXECGCHEE-GGVPUECXSA-N 406.470 5.421 0 40 HKAB CC[C@H](C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 3216350 JEUSAERECDCNFX-ZDUSSCGKSA-N 400.689 5.322 0 40 HKAB O=C(COC(=O)/C=C/c1cccs1)Nc1cc(Cl)ccc1Oc1ccccc1 3321969 FIGXMHYSHZETCE-PKNBQFBNSA-N 413.882 5.389 0 40 HKAB CCn1cc(CC[C@@H](C)NC(=O)N(c2ccccc2)c2ccccc2)c2ccccc21 3765575 JNTGBVQLTZCVGS-OAQYLSRUSA-N 411.549 6.530 0 40 HKAB Cc1c(Cl)cccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O 4033269 PUJXAXGEFDUHFI-LJQANCHMSA-N 415.924 5.567 0 40 HKAB CC1=C(CC[C@H](C)CO)O[C@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 4074038 KIDQUNOGEXTBNB-BTQROQCNSA-N 414.630 5.618 0 40 HKAB biogenic COc1ccc(-n2c(/C=C/c3ccc(O)cc3)nc(=O)c(-c3ccccc3)c2C)cc1 4182546 NKYSLAXQCBVDAE-LICLKQGHSA-N 410.473 5.093 0 40 HKAB Fc1cccc(-c2c3c(nn2-c2cc(Cl)cc(Cl)c2)CCc2ccccc2-3)c1 4568163 OBTPXJDRZYKPJF-UHFFFAOYSA-N 409.291 6.751 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)Nc5ccc(Br)cc5)(C4)C2)C3)cc1 4644809 ILJZAEIMSLOFAI-ISVJADKWSA-N 424.382 6.234 0 40 HKAB CCOc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3cccs3)C[C@H]21 4715717 RXCPGOPMUMFWIZ-XMSQKQJNSA-N 410.926 6.043 0 40 HKAB CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c(O)cc1OCc1ccc(F)cc1 4815648 MVMDZFCZJKHZFG-UHFFFAOYSA-N 409.486 5.495 0 40 HKAB C[C@@H]1C[C@@H](C)CN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 4820267 CWVBPMKCELIABZ-RKVPGOIHSA-N 405.369 5.440 0 40 HKAB O=C(Oc1cccc(/C=C\[n+]2ccccc2)c1OC(=O)c1ccccc1)c1ccccc1 4934053 RHTQFTMDELZSNC-JZJYNLBNSA-N 422.460 5.040 0 40 HKAB Cc1cccc(CCNc2c3c(nc4cc(-c5ccc(F)cc5)nn24)CCCC3)c1 4980655 WYSSKYFNSOYDIA-UHFFFAOYSA-N 400.501 5.377 0 40 HKAB CC(C)c1ccc(Cc2cn3cc(-c4ccc(Br)cc4)nc3s2)cc1 5020509 AYQJAZVYIAEULH-UHFFFAOYSA-N 411.368 6.540 0 40 HKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3o2)cc1 6377470 GZZUVFMPRJOBFU-UHFFFAOYSA-N 400.434 5.599 0 40 HKAB O=C(Oc1ccc(F)cc1)c1ccc(COc2ccc(Br)cc2)cc1 6526767 POMZGPKFNVKTJY-UHFFFAOYSA-N 401.231 5.386 0 40 HKAB O=C(Cc1csc(-c2ccccc2Cl)n1)NC(c1ccccc1)c1ccccc1 6789328 YUGWAKLUFOZVAL-UHFFFAOYSA-N 418.949 5.912 0 40 HKAB Clc1cc(CSc2nnc(-c3c[nH]c4ccccc34)o2)cc2c1OCCCO2 7088882 XEPVVDPWNFCJAD-UHFFFAOYSA-N 413.886 5.325 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1O 8188446 CCMZAZBKMOQOHH-UHFFFAOYSA-N 402.494 5.503 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc5ccccc45)cc3)nc2c1 8198250 NIJFEKSGXPWYTC-SFHVURJKSA-N 420.512 7.414 0 40 HKAB O=C(/C=C/c1nc2ccccc2s1)N1CCCC[C@@H]1c1nc2ccccc2s1 8232654 JMYMNMPLZYBKAJ-GZKZCVOOSA-N 405.548 5.673 0 40 HKAB C[C@H](NC(=O)Oc1ccccc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 8239116 GOPVDFSPQIJSLC-BALBBAFXSA-N 418.537 5.270 0 40 HKAB O=C(c1csc(-c2cccs2)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 8367456 YUNMDBFYNDIXGM-ZDUSSCGKSA-N 411.577 5.501 0 40 HKAB Cn1c(Cc2cccs2)nnc1SCc1c(-c2ccccc2)nc2ccccn12 8725286 GHKNJRGKKYAUBZ-UHFFFAOYSA-N 417.563 5.074 0 40 HKAB CC(=O)[C@H](Sc1nc2scc(-c3ccccc3)c2c(=O)n1C)c1ccccc1 8944112 NMCMMYMBXDGAOR-IBGZPJMESA-N 406.532 5.084 0 40 HKAB COc1ccc(Cl)cc1NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 9253977 SSWIMSMSBMTCIT-UHFFFAOYSA-N 423.972 5.056 0 40 HKAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 9327653 NYFZZXUQHPNGJA-UHFFFAOYSA-N 419.820 5.094 0 40 HKAB CCn1c(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)nc2ccccc21 9415439 SIUTXAWKXGRFKI-UHFFFAOYSA-N 422.579 5.295 0 40 HKAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 9656983 VWKFSMGQWWPPKN-UHFFFAOYSA-N 415.396 5.736 0 40 HKAB CC(C)(C)[C@H]1CCc2nc(NC(=O)COc3ccc(Br)cc3)sc2C1 11917323 DJFFQJROYKVNOH-LBPRGKRZSA-N 423.376 5.074 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(F)c(F)c2)cc1 12197057 VVFXCDVAXIXGDV-ISKFKSNPSA-N 422.431 5.224 0 40 HKAB CC(C)(C)c1ccc(Cn2c(NC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1 12437309 REXCLMSTNKKINX-UHFFFAOYSA-N 417.940 6.288 0 40 HKAB O=C(CCC(=O)N1CCc2sccc2[C@@H]1c1cccs1)c1ccc(Cl)cc1 12911053 AZYIMOHYUUDPFF-OAQYLSRUSA-N 415.967 5.600 0 40 HKAB CCC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1c1ccco1 13128632 UQDCXBUPHRPZSX-JOCHJYFZSA-N 410.477 5.220 0 40 HKAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2Cl)n1-c1ccccc1 13512279 SYQYLNCJLGWKJF-UHFFFAOYSA-N 424.913 5.220 0 40 HKAB O=C(NCCCN1CCCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1 13649089 IZZUCWLYQMJUME-UHFFFAOYSA-N 402.991 5.238 0 40 HKAB Cc1ccc(OCCCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 14398116 GDXZZIHPBQFQCW-UHFFFAOYSA-N 412.382 5.510 0 40 HKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 14665244 LYGINZROCQJEKS-LLVKDONJSA-N 400.733 6.350 0 40 HKAB Fc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)c1 16757621 ARBURHAFJWQWHW-UHFFFAOYSA-N 411.505 6.519 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cncc(Br)c4)nc3c2)cc1 17087825 VJAXDLMQLGDPIC-UHFFFAOYSA-N 408.255 5.213 0 40 HKAB COc1ccc(COc2ccc(C)nc2-c2ccc(F)cc2)nc1-c1ccc(F)cc1 19872918 KIDTVGPLTJFCNG-UHFFFAOYSA-N 418.443 5.985 0 40 HKAB COc1ccc2nc(C)c(C(=O)N3CCc4sccc4[C@H]3c3cccs3)cc2c1 25876822 BLUYBBNYAQRORA-QFIPXVFZSA-N 420.559 5.463 0 40 HKAB Oc1[nH]c(=S)nc2c1[C@H](c1cccc(Br)c1)C=C(c1ccccc1)N2 28466185 FYXLFDGNAXNPBK-AWEZNQCLSA-N 412.312 5.206 0 40 HKAB CC(=O)c1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)c1 29562650 DVICZEPYQAAYKA-UHFFFAOYSA-N 400.409 5.603 0 40 HKAB CC(C)Oc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 30940378 VMGBOXRFMMZTQT-UHFFFAOYSA-N 421.368 5.631 0 40 HKAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1sc2ccccc2c1Cl 31468290 CZMCBVWGZWGVEK-UHFFFAOYSA-N 400.931 5.354 0 40 HKAB O=C(Nc1ccccc1O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 32103911 DZKHDPKKUSKBOV-HSZRJFAPSA-N 418.537 5.216 0 40 HKAB CCCN(/C=C1\C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)CCC 33401770 MLPKRCYQMJENJJ-SDXDJHTJSA-N 416.443 5.355 0 40 HKAB O=C(NCCSc1ccccc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38836546 JRJWGQWFIOOWPN-UHFFFAOYSA-N 423.409 5.114 0 40 HKAB Cc1nc(-c2ccc(Br)cc2)nc(-c2ccc(Br)cc2)n1 41097537 WTTHPRJCIHGRBQ-UHFFFAOYSA-N 405.093 5.039 0 40 HKAB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(CN3CCCCCC3)cc1)CC(C)(C)O2 44855273 APMJMOHLONLIAD-HSZRJFAPSA-N 406.570 5.403 0 40 HKAB CN(Cc1ccccc1F)C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 59288699 PKPCUUWWDADJDP-UHFFFAOYSA-N 415.262 5.048 0 40 HKAB Cc1ccccc1C(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 59477598 BAZPVDHJULOVPW-BMRADRMJSA-N 422.484 6.159 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)c1scc(-c2ccc(F)cc2)c1-n1cccc1 64872342 KWQDMPVDHUUSPZ-UHFFFAOYSA-N 414.864 6.390 0 40 HKAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72214915 RILUQSMIDVWCKQ-KRWDZBQOSA-N 405.539 5.304 0 40 HKAB C[C@H](C(=O)NCc1ccc(Br)cc1)c1cccc(C(=O)c2ccccc2)c1 98073355 DGRBXOZHDRNJQY-INIZCTEOSA-N 422.322 5.100 0 40 HKAB c1ccc(/N=c2\sc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cc1 100495360 JPMIFHJJWWCJEC-DQSJHHFOSA-N 404.538 7.105 0 40 HKAB CCOc1ccc(-c2cs/c(=N\C(=O)c3ccccc3)n2-c2ccccc2)cc1 100930863 WCSOBSFWRAJINN-IZHYLOQSSA-N 400.503 5.346 0 40 HKAB CCc1ccccc1NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2C)c1 224276225 KRRROTBNLJCMCG-UHFFFAOYSA-N 403.522 6.014 0 40 HKAB COc1ccc(C(=O)NCCc2ccccc2)cc1CSc1ccc(Cl)cc1 224345903 OZLKVBXGJXUNBC-UHFFFAOYSA-N 411.954 5.613 0 40 HKAB Cc1cc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1Br 225405222 YFQAGXBPDNZXJW-AWEZNQCLSA-N 405.405 6.103 0 40 HKAB COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)cc1C 225598243 WJGLLXNLDMDACF-UHFFFAOYSA-N 421.877 5.389 0 40 HKAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225640932 XPCQWFPTWWUAGU-GFCCVEGCSA-N 402.869 5.421 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c2ccccc12 225754962 MZCKABXJDGAOQA-UHFFFAOYSA-N 403.522 6.088 0 40 HKAB CC(C)c1nc(Cc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)cc2)no1 225899081 OJPLYNICHHMUME-UHFFFAOYSA-N 422.872 5.345 0 40 HKAB COc1c(Cl)cc(-c2nc3cc(NC(=O)C(F)(F)F)cc(C)c3o2)cc1Cl 226272103 QFNCXYOFACXPDI-UHFFFAOYSA-N 419.186 5.619 0 40 HKAB CC1(C)[C@H](NC(=O)Cc2ccccc2F)[C@@]23CCO[C@H](c4ccccc4)[C@H]2C[C@@H]1C3 257203939 ASHIAJFMCNNIBK-FKDXMPTGSA-N 407.529 5.067 0 40 HKAB O=C(/C=C/c1ccccc1Cl)NCCSCc1c(Cl)cccc1Cl 409024631 LKMMGEWFXPTBNU-CMDGGOBGSA-N 400.758 5.710 0 40 HKAB CCCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1 409106790 UJLGCKRROSNETE-UHFFFAOYSA-N 400.935 5.048 0 40 HKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2C)c1 409382641 WHMJAQJSNLGPSS-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@H](Cc3cccc(Cl)c3)[C@H](C(=O)O)C[C@H]21 2037853955 MRLVRFUUWKMORY-LFGUQSLTSA-N 421.320 5.554 0 40 HKAB Cc1ccc2c(c1)c1c(n2Cn2c3c(c4cc(C)ccc42)CCCC3=O)C(=O)CCC1 712047 YCILRNMLQKFSRR-UHFFFAOYSA-N 410.517 5.757 0 40 HKAB CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc(F)cc2)c2ccccc2)C[C@H]1C 822405 YIFLLWSQXZMQJA-MZNJEOGPSA-N 402.469 5.359 0 40 HKAB CCc1cc(-c2nc(C)nc(C(F)(F)F)c2-c2csc(C)n2)c(O)cc1OC 1084615 TYLGAWCJWOUFBA-UHFFFAOYSA-N 409.433 5.179 0 40 HKAB CCN(C(=O)c1ccc2ccccc2n1)C1(C(=O)Nc2c(C)cccc2C)CCCC1 1294966 CNJDFTPJESMHRF-UHFFFAOYSA-N 415.537 5.265 0 40 HKAB COc1cccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)c1 1510596 ZXRJSRYYFARWNP-UHFFFAOYSA-N 400.503 6.046 0 40 HKAB Cc1ccc(S(=O)(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 1599129 VXPDKNCEACJTHB-UHFFFAOYSA-N 420.528 6.030 0 40 HKAB Cc1ccc(S(=O)(=O)N2c3ccc(C)cc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 1895993 JHVYITMLHFSSMS-AREMUKBSSA-N 419.590 5.987 0 40 HKAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccc(C(C)(C)C)cc1 2060202 ROKYDGHKHIKGTD-UHFFFAOYSA-N 413.564 6.203 0 40 HKAB CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(Cl)cc1)Nc1ccccc1-2 2083689 OLIROCKGWMYSEO-IBGZPJMESA-N 412.946 5.977 0 40 HKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3occ(-c4ccc(Cl)cc4)c3cc12 2151397 CFHFLQVLXYTQFD-UHFFFAOYSA-N 414.888 7.067 0 40 HKAB biogenic Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3ccccc3Cl)cc2O)n1 2200435 DHTXJNOOWWYHIE-UHFFFAOYSA-N 403.869 5.331 0 40 HKAB biogenic Cc1ccc2nc3c(cc2c1)c(NC(=O)c1ccc(C(C)(C)C)cc1)nn3CC(C)C 2222018 KMIBYBGQTQGCCD-UHFFFAOYSA-N 414.553 6.099 0 40 HKAB FC(F)(F)c1cccc(Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c1 2228591 DJTOFJGRNKHQBW-UHFFFAOYSA-N 417.740 6.578 0 40 HKAB COc1ccc(-n2c(-c3ccccc3Cl)nc3nc4ccccc4nc32)cc1OC 2229103 DPAPALAJPKTZQN-UHFFFAOYSA-N 416.868 5.306 0 40 HKAB Cc1cccc(OP(=O)(Nc2ccc(C(C)C)cc2)Oc2cccc(C)c2C)c1C 2291140 PKNDHCVYDDIKAP-UHFFFAOYSA-N 423.493 7.722 0 40 HKAB CC(C)OC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)cc1 2330903 UQBAXJQNQJJPGB-UHFFFAOYSA-N 422.337 5.285 0 40 HKAB CC(C)c1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4cccc(Cl)c4)nc3C2)cc1 2413357 BBCYDRVJGZJLDZ-SFHVURJKSA-N 419.912 5.418 0 40 HKAB CN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)c1cc(Cl)cc(Cl)c1 2580997 ODTTVNAVWYUGKP-HXUWFJFHSA-N 407.341 5.399 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)Cc2ccccc2)cc1 2721191 RPVAARLFOBZDCT-UHFFFAOYSA-N 400.547 5.594 0 40 HKAB Cc1nn(Cc2cccc(Oc3ccccc3)c2)c(C)c1NC(=O)c1cccs1 2762584 SXURWNYJFSMBON-UHFFFAOYSA-N 403.507 5.654 0 40 HKAB Cc1ccc(N[C@@H](CC(=O)c2ccc(C)cc2)c2ccc(Br)cc2)cc1 2843361 ZMNYPYFFMIXQTC-QFIPXVFZSA-N 408.339 6.492 0 40 HKAB C=C1C(CC)=C(c2ccccc2)N=C(c2ccccc2)N1c1ccc2c(c1)OCCO2 3176349 AYOCPOFYNFLRBR-UHFFFAOYSA-N 408.501 6.060 0 40 HKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1 3238603 FQVXDWCWWHVANN-UHFFFAOYSA-N 408.523 5.019 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)OCC(=O)c1ccc(-c2ccccc2)cc1 3245972 YBJYLOQQMRECCM-ACCUITESSA-N 411.284 6.100 0 40 HKAB CCOc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1 4222994 LXDGMLFEJRPFLQ-ODCRROIESA-N 419.609 6.359 0 40 HKAB O=C(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1Cl 4570861 GBMDCNHNOOTCMB-UHFFFAOYSA-N 410.848 5.455 0 40 HKAB O[C@]1(c2ccccc2)O[C@@H](c2ccccc2)CN(Cc2ccccc2)[C@H]1c1ccccc1 4792095 GRJGBWAPFPDRSY-SSBOKUKZSA-N 421.540 5.847 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2sccc2n1Cc1ccccc1 4970954 VMSXYNMXWYAXKU-UHFFFAOYSA-N 401.318 6.310 0 40 HKAB CCCCCCOc1ccc(C(=O)OCC(=O)Nc2c(CC)cccc2CC)cc1 5236248 ANBACGIQIJLUKK-UHFFFAOYSA-N 411.542 5.566 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1ccccc1)Cc1ccccc1 5536445 GJHIOHKZHBQCPE-UHFFFAOYSA-N 416.908 6.146 0 40 HKAB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1cccc(Cl)c1 6063727 PKZLYDXVJZSVJB-UHFFFAOYSA-N 416.864 5.351 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 6243142 CLIVKNVBHYHFLY-GOSISDBHSA-N 418.562 5.906 0 40 HKAB Cc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)s1 6650567 JJZMJOSCJCSROZ-QEWYBTABSA-N 404.605 5.012 0 40 HKAB O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1Cc1cccc(Cl)c1 8040501 HHIXEAUYMFBGIW-JLHYYAGUSA-N 407.300 5.922 0 40 HKAB Cc1ccc(C(=O)[C@H](Sc2nnc(-c3ccoc3C)o2)c2ccc(C)cc2)cc1 8323913 BASKLLCICKJQLN-OAQYLSRUSA-N 404.491 5.971 0 40 HKAB COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 8535321 DGNBOHZFPBYXFU-MRXNPFEDSA-N 416.348 6.432 0 40 HKAB CC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)NN=C/C(C)=C\c1ccc(C(C)C)cc1 8721400 WHLZZYNTMGIASO-FQKGHVGSSA-N 420.582 5.763 0 40 HKAB CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)cc1 8869440 ANSMYUOQWFSJDJ-JOCHJYFZSA-N 405.494 5.317 0 40 HKAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc21 8958897 FACLEVWOQCXISA-UHFFFAOYSA-N 420.431 5.119 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(NC(=O)CSc3ccc(F)cc3)cc2)cc1 9168734 LHIOEXJOSVXVSO-UHFFFAOYSA-N 424.497 5.208 0 40 HKAB CCOc1ccc(-n2c(SCC(C)=O)nnc2-c2ccc(C(C)(C)C)cc2)cc1 12553493 APDIZDDFUHTGDI-UHFFFAOYSA-N 409.555 5.312 0 40 HKAB C[C@@H]1C/C(=C/c2cccs2)C2=NN(C(=O)c3ccncc3)[C@H](c3cccs3)[C@@H]2C1 12558904 DBOVRNHDBFCWEW-VYWQRKLJSA-N 419.575 5.887 0 40 HKAB CC1CCN([C@H](CNC(=O)CCCc2c[nH]c3ccccc23)c2cccs2)CC1 12780604 GUUNQXNTKXKZAS-JOCHJYFZSA-N 409.599 5.142 0 40 HKAB O=C(c1cc(Br)ccc1F)N1CCC[C@H](c2nc3ccccc3s2)C1 12868813 MUDQJQIKUNXPKF-LBPRGKRZSA-N 419.319 5.218 0 40 HKAB C[C@H](NC(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1)c1cc2ccccc2o1 14075430 RAHRZHHUSUJOLR-FUHWJXTLSA-N 419.550 5.099 0 40 HKAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OCCC(C)C)c1 16751986 BVMZFSYEUUXDEF-QHCPKHFHSA-N 419.521 5.563 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(NC(=O)C(C)C)c3)o2)cc1Cl 17093339 MUMUMTLEFITAEG-ZRDIBKRKSA-N 422.912 6.155 0 40 HKAB CC(C)c1ccccc1NC(=O)c1cc([C@H]2CCCN(C(=O)C3CCCCC3)C2)no1 19453342 ALIQJGZEDNHTSX-IBGZPJMESA-N 423.557 5.337 0 40 HKAB COc1ccc2nc(CN3CCCC[C@@H]3c3nnc(-c4ccsc4)o3)ccc2c1 19563698 NLFNXDWBVNAZKL-HXUWFJFHSA-N 406.511 5.082 0 40 HKAB COc1ccc(-n2nc(Nc3cc(Cl)cc(Cl)c3)c3c2CCCC3=O)cc1 20796826 AUDQBBMQJFXRCG-UHFFFAOYSA-N 402.281 5.450 0 40 HKAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)o1 21545442 VMTRMAQYFFCJEE-UHFFFAOYSA-N 424.309 5.173 0 40 HKAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(OC(C)C)cc1 26124441 DOEAUEHOHOONBE-UHFFFAOYSA-N 420.900 5.422 0 40 HKAB COc1ccc(-c2nnc(SCc3cccnc3)n2C2CCCCC2)cc1OC 27777864 QISISJYXOWBOTQ-UHFFFAOYSA-N 410.543 5.155 0 40 HKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)C1 30753745 SDTJSRFTXCQIHT-AWEZNQCLSA-N 410.867 5.843 0 40 HKAB Cc1ccccc1C(=O)Nc1c(C)nn(COc2ccc(Cl)cc2Cl)c1C 32610643 DUJBQQCUIOOEAG-UHFFFAOYSA-N 404.297 5.404 0 40 HKAB C[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 32623005 YLROHSDDTURXRR-CQSZACIVSA-N 421.403 5.088 0 40 HKAB CCCCn1c(SCc2nc(-c3ccccc3C)oc2C)nc2ccccc2c1=O 32984657 RPBKSGVTSOLFAB-UHFFFAOYSA-N 419.550 5.761 0 40 HKAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccc2ccccc2c1 33741714 VLKDGVZYAFBFOU-UHFFFAOYSA-N 423.969 5.610 0 40 HKAB O=C(OCc1csc(-c2ccco2)n1)c1csc(-c2cccc(Cl)c2)n1 36661769 QCTMHAXWBAAMTN-UHFFFAOYSA-N 402.884 5.537 0 40 HKAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2ccccc2C(F)(F)F)c1OC 40286441 XXBCYJOEBPVHMV-CYBMUJFWSA-N 417.387 5.032 0 40 HKAB Cc1cccc(CN(Cc2ccco2)C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)c1 48272814 XTIJSMAIPDEUFO-FDDCHVKYSA-N 402.494 5.025 0 40 HKAB Cc1ccc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)c(OCc2ccccc2)c1 48309849 WHYBIZAELGNGGV-UHFFFAOYSA-N 401.441 5.151 0 40 HKAB C[C@@H](c1ccccc1)N(Cc1nnc(-c2ccc(Cl)cc2Cl)o1)CC1CC1 60339131 IOAPCIOZTQWIJL-AWEZNQCLSA-N 402.325 6.017 0 40 HKAB CN(C)c1ccc(-n2c(SCc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 67259083 OLVLMFSBFGPWBO-UHFFFAOYSA-N 421.953 5.397 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)cc2Cl)nc1 67296618 SJTAPMOTKSWGFW-RWEWTDSWSA-N 403.869 5.583 0 40 HKAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 72380259 JKTFTQOZVRQMNX-MRXNPFEDSA-N 400.309 5.403 0 40 HKAB COc1ccc2c(c1)CN(C(=O)Nc1ccc(F)cc1OC)[C@H](c1ccccc1)C2 97164635 UDWXRCOMQNAUNU-QFIPXVFZSA-N 406.457 5.174 0 40 HKAB Cc1c(Cl)cccc1NC(=O)Nc1c(NC2CCCC2)c2ccccc2oc1=O 101094327 JTSNEVGDTGNADH-UHFFFAOYSA-N 411.889 5.753 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219340005 PHTOCBGGMRNMRT-FCHUYYIVSA-N 419.521 5.424 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 223082422 APWDYHGZPYGSHT-UHFFFAOYSA-N 412.533 5.711 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1C(C)C 223333634 RAGOUOUFAWXJOW-OAQYLSRUSA-N 415.577 6.526 0 40 HKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)Nc1ccccc1OC(C)C 223931553 XCORGXTZIXERJJ-QNGOZBTKSA-N 420.534 5.253 0 40 HKAB CCc1cccc(C)c1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C 224020084 NMMJUYPQRLZUBQ-QNGOZBTKSA-N 404.535 5.337 0 40 HKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 224358718 JNLGEDFMHZXCJV-PKTZIBPZSA-N 404.583 5.765 0 40 HKAB CCCC[C@H](CC)CNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 224398515 IXONFURATMYHTF-INIZCTEOSA-N 422.978 5.087 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1COc1ccc(-c2ccccc2)cc1 224560923 KPYKSXYVKPVPCO-LJQANCHMSA-N 419.521 5.096 0 40 HKAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)NCc1ccc(Cl)cc1 224874719 UBRUUHBPRHLDBS-UHFFFAOYSA-N 419.706 5.007 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2)cc1 224941164 RPCONKVJBYDNOE-UHFFFAOYSA-N 416.590 6.530 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 225622330 OXNVTIXMMJPXRJ-TZIWHRDSSA-N 418.002 6.410 0 40 HKAB CCCO[C@@]1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC[C@H](C)C1 225663045 CTUQLVQALNQYIH-OFVILXPXSA-N 416.606 5.111 0 40 HKAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCS[C@H](c2cc(F)ccc2F)CC1 225743632 VHCNJFRTKUECHC-SFHVURJKSA-N 415.427 5.233 0 40 HKAB COC(=O)c1ccc(C)c(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1 225856140 IDBSKSCPMNPUKE-UHFFFAOYSA-N 402.947 5.191 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N1C[C@H](C)C[C@@H](C)C1 226330943 QTYKNOFLVYCTDB-CHWSQXEVSA-N 406.357 5.619 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)C(/C=C\c4ccccc4)=CC[C@H]32)C1 253617255 FLDVEKQSXXBPDV-KYLKZVNKSA-N 418.621 7.211 0 40 HKAB Cc1ccc(NC(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)cc1NC(=O)NC[C@@H]1C[C@H]2CC[C@H]1C2 254698329 FCHPHCIYHHHYAK-ZWJSTQBLSA-N 424.589 5.110 0 40 HKAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cc4ccccc4[nH]3)o2)c1 257214007 CKBXLMDOPUZNDS-QHCPKHFHSA-N 415.493 5.123 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc(Cl)c1OC 408619440 IJBVFYAGYZWSLI-UHFFFAOYSA-N 411.885 6.100 0 40 HKAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc3c(Cl)cccc23)c1 408624608 YEUXWMCQZZTXNS-UHFFFAOYSA-N 401.293 6.138 0 40 HKAB Cc1cccc(COc2c(Cl)cc(/C=C3\SC(=O)N(C)C3=O)cc2Cl)c1 408817517 WMDAUOMKMYQLNQ-SXGWCWSVSA-N 408.306 5.547 0 40 HKAB CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)NC1=S 409084871 XTRFIGYPQGXRRV-BOPFTXTBSA-N 421.349 5.040 0 40 HKAB Cc1ccc(C)c(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)c1 409121431 ZTOCDVQBCSVNKC-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB Cc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1Cl 409197393 DKGIPMVWKMSEOJ-UHFFFAOYSA-N 410.684 6.380 0 40 HKAB CCCCCC(=O)N1CCCCN(CC)C(=O)c2ccccc2O[C@H]2CCCC[C@H]21 643562548 ZNRSMDCCQOYXSK-GGAORHGYSA-N 414.590 5.041 0 40 HKAB CC(=O)N1CCCCCCCCN(C(=O)c2ccc(Cl)cc2)Cc2ccccc21 643588590 HJZOHLNVVQJENS-UHFFFAOYSA-N 412.961 5.690 0 40 HKAB Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)cc4)c3C)nc2c1 793672 PASGWWRNHUUWDK-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB COc1cccc(C(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)c1 854359 HKXHAQCGYTUARZ-UHFFFAOYSA-N 401.409 6.157 0 40 HKAB Nc1c(C(=O)c2ccc(F)cc2)sc2nc3c(c(-c4cccnc4)c12)CCCC3 989342 SMPONNJNBSOPIO-UHFFFAOYSA-N 403.482 5.189 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Br)cc1C 1268541 SOUNVOIEOFNZDX-ZZXKWVIFSA-N 415.114 5.725 0 40 HKAB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)cc1OC 2099001 KLLUXTMIHCIHJO-KXCAJURRSA-N 407.554 5.085 0 40 HKAB COc1ccc(C(=O)Oc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)cc1 2140573 RRMLPYQHYWYOQI-UHFFFAOYSA-N 414.457 5.228 0 40 HKAB biogenic O=c1/c(=C\C=C\c2ccccc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 2196966 FBEXTNHMPLDAPP-DZFITWGMSA-N 406.510 5.303 0 40 HKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccccc2)cc1C 2224722 GEDVRTKFQMUGJK-UHFFFAOYSA-N 409.489 5.077 0 40 HKAB CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(N5CCCCC5)ncnc4c23)CO1 2298858 BRSGXAFJKBGYHL-UHFFFAOYSA-N 420.538 5.341 0 40 HKAB Cc1sc2ncnc(S[C@@H](C)C(=O)Nc3ncc(Cl)cc3Cl)c2c1C 2652379 DHWIFRDZIOIGKR-VIFPVBQESA-N 413.355 5.129 0 40 HKAB CCc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccccc2)cc1 2713696 RKLKSUXXILLJIJ-UHFFFAOYSA-N 415.514 5.169 0 40 HKAB Cc1cccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3cccc(C)c3)c2C)c1 2733458 OHELUUVMCFHOSM-UHFFFAOYSA-N 407.344 7.438 0 40 HKAB O=C(Nc1ccccc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 3097399 IKHAFPQWFOOGLK-UHFFFAOYSA-N 401.469 6.216 0 40 HKAB Cc1ccc(C(=O)N[C@H](Sc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 3138918 OCAGWVPJUUSEHZ-OAHLLOKOSA-N 409.165 5.867 0 40 HKAB C[C@H](OC(=O)CCc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1Cl 3228986 RNNTUZAPYDRKJV-NSHDSACASA-N 423.321 5.106 0 40 HKAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3cc(C)cc(C)c3)c2c1 4610400 NWBMPEIYSJGLCQ-UHFFFAOYSA-N 414.936 6.987 0 40 HKAB CC(C)c1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1 4877743 QDRVTWAPBWSTIZ-UHFFFAOYSA-N 410.554 5.042 0 40 HKAB Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(C(C)(C)C)cc1 5477718 UXKOSLMRTOEPDJ-UHFFFAOYSA-N 405.489 6.091 0 40 HKAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 6270162 PUIQYOYQOPMDRZ-OQLLNIDSSA-N 420.534 5.065 0 40 HKAB COc1ccc(-c2c(NC(=O)C3CCCCC3)oc3ccc(Cl)cc3c2=O)cc1 6814587 LFVYQXQAFDBBDH-UHFFFAOYSA-N 411.885 5.641 0 40 HKAB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)S2)c(C)c1 8410600 VHMDYMQEXCFXEN-NDENLUEZSA-N 408.910 6.299 0 40 HKAB Cc1cccc(C)c1OCC(=O)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 8915473 BZNWEPAHFWANMO-LJQANCHMSA-N 422.352 5.197 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1 9063634 CCAJXAWLOCWHLG-UHFFFAOYSA-N 404.485 5.469 0 40 HKAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1ccc(C(F)(F)F)cc1 9107436 KALNWZFYBHWSQX-UHFFFAOYSA-N 424.422 5.437 0 40 HKAB O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)Nc1ccc(Cl)c(Cl)c1 9554224 TYLVGHPQDQTBKA-UHFFFAOYSA-N 415.198 5.332 0 40 HKAB Cc1cccc(-c2nnc([C@H](C)Sc3nnc(Cc4cccs4)n3C3CC3)o2)c1 9638642 GUJWSNHBHKHOAJ-AWEZNQCLSA-N 423.567 5.477 0 40 HKAB CSc1ccccc1C(=O)N(C[C@@H]1CCCO1)c1nc2c(Cl)cccc2s1 10871976 URVAVHZYBFZNLW-ZDUSSCGKSA-N 418.971 5.497 0 40 HKAB COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1OC 13616371 CSVIORRTOUEWIP-HYBUGGRVSA-N 420.896 5.600 0 40 HKAB CCCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)c1 16751254 TYUDKWXTUVFKIG-QFIPXVFZSA-N 405.494 5.317 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1c(F)c(F)c(F)c(F)c1F 17092123 RODPQCHTCPZVSX-UHFFFAOYSA-N 420.362 5.911 0 40 HKAB Cc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)c1 17092521 MTHUUZFTIOJYBU-UHFFFAOYSA-N 420.925 5.319 0 40 HKAB C[C@H]1CCCN(c2nc(Nc3ccc(Cl)cc3)c3cnn(-c4ccccc4)c3n2)C1 17245739 JBLGTALPBBUBKR-INIZCTEOSA-N 418.932 5.449 0 40 HKAB C[C@H](CCN1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1)c1ccccc1 19455622 ZEUFVUZSURBMIG-YKSBVNFPSA-N 407.602 5.191 0 40 HKAB COc1cccc2ccc(CN3CCCC[C@@H]3c3nnc(-c4cccs4)o3)nc12 19568465 AJOIAHYPKXHEBL-QGZVFWFLSA-N 406.511 5.082 0 40 HKAB COc1ccccc1-c1noc(C)c1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 19579692 UYMQRVUVLSGRDG-UHFFFAOYSA-N 423.469 5.482 0 40 HKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(F)cc2C(=O)Cc2ccccc2)cc1 20436328 ITQMXGXCUAJCPH-LJQANCHMSA-N 417.524 6.192 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCC(C)C)cc1 21580701 RHDASMCHSURMNO-UHFFFAOYSA-N 415.493 5.526 0 40 HKAB C[C@H](Sc1nnc(NCCc2cccs2)s1)c1nc(-c2cccs2)no1 26118201 RSRSDFQMNNUEQR-JTQLQIEISA-N 421.598 5.219 0 40 HKAB COC(=O)C(NC(=O)c1ccccc1)=C(Sc1ccccc1)Sc1ccccc1 27562139 BOLOESGKFSFNJW-UHFFFAOYSA-N 421.543 5.343 0 40 HKAB O=C(Nc1c(-c2ccccc2)nc2scc(-c3cccs3)n12)c1ccccc1 28294736 VPWAIPNZABXJHE-UHFFFAOYSA-N 401.516 6.044 0 40 HKAB Nc1c(Cl)cc(-c2cc(Cl)c(N)c(Br)c2)cc1Br 31439506 PJPFXYSJCFZWNF-UHFFFAOYSA-N 410.924 5.350 0 40 HKAB COc1ccc2cc(C(=O)Nc3ccccc3Sc3ccccc3)c(=O)oc2c1 33809443 KEOQBSULNPKHMV-UHFFFAOYSA-N 403.459 5.205 0 40 HKAB CCOc1c(Br)cc(Br)cc1CNc1ccc(Cl)cc1 37202813 LQPHIAMBCLUJIO-UHFFFAOYSA-N 419.544 5.876 0 40 HKAB COc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1ccc(Br)cc1 41005027 BGJYEHIOHHNTHD-UHFFFAOYSA-N 409.283 5.580 0 40 HKAB CC[C@@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(C)c(C)c1 44856530 WPSGNLHLEXWTMX-HSZRJFAPSA-N 416.968 5.575 0 40 HKAB COc1ccc(OC)c(NC(=O)[C@H](C)N[C@@H](C)c2ccc(-c3ccccc3)cc2)c1 58159645 REVHXXAHXSLHJT-ROUUACIJSA-N 404.510 5.049 0 40 HKAB O=C(Nc1c(-c2ccccc2)ncn1C1CC1)c1cc(-c2cccc(Cl)c2)on1 58160908 YSWXSDQSKSNZDL-UHFFFAOYSA-N 404.857 5.446 0 40 HKAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCc1ccc(Cl)c(Cl)c1 60034735 FJYAPVGIDHQZGJ-UHFFFAOYSA-N 422.743 5.504 0 40 HKAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(OCC)cc2)cc1 67259627 YRKLWHDTMYXFEY-UHFFFAOYSA-N 414.530 5.720 0 40 HKAB CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4C)cc3)o2)cc1 79045117 DMPCAZGOXBJOMC-INIZCTEOSA-N 413.477 5.134 0 40 HKAB Cc1cccc(C)c1OC1CCN(C(=O)Nc2cccc(Cl)c2N(C)C)CC1 84225205 WHPORCAWLIDGPY-UHFFFAOYSA-N 401.938 5.098 0 40 HKAB O=C1c2ccccc2[C@H](c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)N1CCO 85430419 BHZLWJXYQNMISX-HHHXNRCGSA-N 418.496 5.526 0 40 HKAB COC1CCN(c2ccc(NC(=O)NC(c3ccccc3)c3ccccc3)cc2)CC1 96104518 QLYVYAOANVNATN-UHFFFAOYSA-N 415.537 5.213 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 96625791 UBPGROATDKXSCF-UHFFFAOYSA-N 411.977 5.181 0 40 HKAB CCCOc1ccc(C(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)cc1 101096627 UONQTEHPNAMNCW-UHFFFAOYSA-N 420.509 5.579 0 40 HKAB CCCc1ccc(-c2nc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5=C(C)C)[C@H]4C3=O)sc2C)cc1 102637332 AXVSKANOWZGUET-JYAXBFRTSA-N 420.578 5.553 0 40 HKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Cl)cc3Cl)o2)cc1C 109027041 NBPKSEBHVZNFBA-UHFFFAOYSA-N 419.333 5.997 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc(Cl)c(Cl)c1 222731949 UYZPFHMIJNSXQI-GOSISDBHSA-N 424.393 5.954 0 40 HKAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccccc4Sc4ccccc4)cn1c23 223096719 YWOHSMMKIBSCED-MRXNPFEDSA-N 412.514 5.522 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1C(C)C 223268434 LRFZBMGNLXWGGF-INIZCTEOSA-N 405.991 5.891 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)c1 224229609 CDXNWJRWYNFDDP-RPBOFIJWSA-N 424.573 5.666 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)c1 224252259 PHOXIBPKCLKCCR-RPWUZVMVSA-N 416.594 5.874 0 40 HKAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 224264347 FIFDNWRYUNTWES-VWLOTQADSA-N 416.565 5.024 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1cccc(OC)c1 224587195 WIJBVVDXMUUWCJ-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB C[C@@H]1C[C@@H](C)CN(CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 225728280 IHFGLLGJMWRUNV-CHWSQXEVSA-N 407.933 5.013 0 40 HKAB Cc1ccc(CCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 225755080 KIZFWBSSIOVQAA-UHFFFAOYSA-N 413.561 6.403 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)C[C@H](O)CC[C@]34C)[C@@H]1C[C@@H](CN1CCCCC1)C2=O 253617611 YHCZRFRDIZKNKD-CBOXQINNSA-N 401.635 5.061 0 40 HKAB O=C(c1ccc2ccccc2n1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257204660 AVUHOOFEKHCNLY-HSZRJFAPSA-N 415.468 5.320 0 40 HKAB CO[C@@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]3[C@@H]12 257350289 WCLAESSRAKSOIR-MWGZXGHLSA-N 416.690 7.014 0 40 HKAB CCOc1cc(C(=S)NCc2ccco2)cc(Cl)c1OCc1ccccc1 408573796 KNTVVKFPSZSZDA-UHFFFAOYSA-N 401.915 5.376 0 40 HKAB COc1cc(C(=S)NCc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 408578575 YWOQWYVZSXCAOY-UHFFFAOYSA-N 415.917 5.532 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3o2)c1 408621169 KDOYYHSATHPKQR-UHFFFAOYSA-N 400.434 5.135 0 40 HKAB CCCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)c2ccccc21 409110794 YTQBXXJWPLMHBC-JCMHNJIXSA-N 417.480 5.711 0 40 HKAB Cc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)c1 409113535 GRCDNWMSVAUTNK-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB CCOc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2F)cc1 409114077 BTEYCDFDOJGCHO-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB CCCc1sc2nc(Sc3ccccn3)n(-c3ccc(CC)cc3)c(=O)c2c1C 409117410 XVBQYAOCDKQQCI-UHFFFAOYSA-N 421.591 5.817 0 40 HKAB CCc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1F 409118613 OQNSAKXTAGTIEO-UHFFFAOYSA-N 404.312 6.886 0 40 HKAB Cc1ccc(Cl)cc1NCc1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 409128219 DYQRQBAGYSWXLM-UHFFFAOYSA-N 424.730 7.285 0 40 HKAB O=C(NCCc1ccccc1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409136834 VWGDBASJKRRHRG-CFHRKGSBSA-N 422.572 5.956 0 40 HKAB Cc1ccc(-c2nn(CC(=O)N(C3CCCCC3)C3CCCCC3)c(=S)o2)cc1 409165719 BAHYBLPQLBWWKG-UHFFFAOYSA-N 413.587 5.675 0 40 HKAB O=C1S/C(=C/c2ccc(Br)s2)C(=O)N1c1ccc(Cl)cc1 409191041 RNQKUPIYPODWAZ-YRNVUSSQSA-N 400.706 5.405 0 40 HKAB CC(=O)O[C@H]1CC=C(C)CCCC(C)(C)[C@@H](OC(=O)c2ccc(O)cc2)C=C1C 1559556403 OLNKZJLTVQZYLK-VXKWHMMOSA-N 400.515 5.342 0 40 HKAB CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1[C@@H](C)Oc1ccccc1 687637 HWGMRGAHZFPWSN-QGZVFWFLSA-N 424.570 5.292 0 40 HKAB CCC(=O)Nc1ccccc1C(=O)O[C@H](C(=O)c1ccc(C)cc1)c1ccccc1 987274 MWUSDENRMAAAKQ-DEOSSOPVSA-N 401.462 5.125 0 40 HKAB CCOC(=O)c1c(C)n(C2CCCCC2)c2cc(Br)c(OC(C)=O)cc12 1052663 XJNLDQTWHYLJQG-UHFFFAOYSA-N 422.319 5.319 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccco4)c3)nc2c1 1255932 SEFLPKHSJQZZKB-SHQCLWGWSA-N 420.896 6.907 0 40 HKAB CC1=C(c2ccccc2)OC(=O)C(Cl)(Cl)[C@H]1N(c1ccccc1)c1ccccc1 1576432 XUGWTOHBVYVQNO-QFIPXVFZSA-N 424.327 6.355 0 40 HKAB O=C(Nc1cccc2ncccc12)c1ccc(C(=O)Nc2cccc3ncccc23)cc1 1703249 QHIVYMWCLKPJMZ-UHFFFAOYSA-N 418.456 5.288 0 40 HKAB CCc1ccc2oc(-c3cc(NC(=O)c4ccc(C)cc4C)ccc3Cl)nc2c1 1858075 JRIFAGQFSZBDMF-UHFFFAOYSA-N 404.897 6.580 0 40 HKAB COP(=O)(OC)[C@@H](OC(=O)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl 2144669 NIRZSWSTQNADLB-SECBINFHSA-N 411.005 5.071 0 40 HKAB CC(C)CCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 2234838 PTNGEXBSWPKNJH-UHFFFAOYSA-N 419.619 6.924 0 40 HKAB COC(=O)[C@@H](C)OC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 2617354 FWVXQWDIUWQEHL-GFCCVEGCSA-N 404.871 5.097 0 40 HKAB CCCOc1ccc(-c2csc(NC(=O)c3ccccc3C)c2C(=O)OC)cc1 2889694 WUIPGLHRSWFMSN-UHFFFAOYSA-N 409.507 5.551 0 40 HKAB CCOc1ccc(NC(=O)N[C@H](c2ccc(C)c(F)c2)C(Cl)(Cl)Cl)cc1 3184219 DSRZOTSEJZANBG-MRXNPFEDSA-N 419.711 5.766 0 40 HKAB O=C(OCc1c(F)cccc1Cl)c1ccccc1C(=O)c1ccc(Cl)cc1 3312308 GJYXJMWZHBHENA-UHFFFAOYSA-N 403.236 5.721 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(Oc3ncnc4sccc34)cc12 3440146 HKVUXVWGGJVAGZ-UHFFFAOYSA-N 416.458 6.074 0 40 HKAB CCc1cc2c(SCC(=O)Nc3ccc(-c4ccccc4)cc3)ncnc2s1 3450355 ZRBHTDNSNLMDPC-UHFFFAOYSA-N 405.548 5.652 0 40 HKAB CCOC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc(C)c1-c1ccccc1 4184384 COYRJAQUSGYKLJ-UHFFFAOYSA-N 423.578 6.055 0 40 HKAB COc1ccc(NC(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)cc1 4671236 GRJMMTFNZQKPEB-UHFFFAOYSA-N 401.491 6.130 0 40 HKAB C[C@H](NC(=O)/C=C/c1ccco1)c1nc2ccccc2n1Cc1cccc(Cl)c1 4889282 CFIIGTSHGQJHCG-PCUGXKRQSA-N 405.885 5.222 0 40 HKAB CC(C)(C)c1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(F)cc2)cc1 4892021 GXHULBUPAPIFRG-QNGOZBTKSA-N 422.525 5.594 0 40 HKAB CN(C)P(=NC(=S)Nc1ccccc1)(N(C)C)C12CC3CC(CC(C3)C1)C2 5525877 FTGXHXIOKMJPBY-UHFFFAOYSA-N 404.564 5.507 0 40 HKAB CNC(=S)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cc2ccc(C)cc2nc1Cl 5602607 ZVIRKWMRZUTIQW-HXUWFJFHSA-N 408.958 5.160 0 40 HKAB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 6616579 SCPJABMZZLHENK-HXUWFJFHSA-N 411.502 5.343 0 40 HKAB CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccccc1Cl 6656657 GTRYIDHYAAMHIK-UHFFFAOYSA-N 403.975 5.725 0 40 HKAB COc1ccccc1-n1c(SCc2ccc(C)c(C)c2)nc2ccccc2c1=O 6838910 FYQBMZQBNMJHTE-UHFFFAOYSA-N 402.519 5.303 0 40 HKAB O=C(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCCC1 6885633 RKXNVMWJWNVOLS-UHFFFAOYSA-N 408.505 5.982 0 40 HKAB CCc1ccc(-c2noc(CSc3nnc(-c4cccs4)n3C3CC3)n2)cc1 7221462 MAIXFURZYZJYFL-UHFFFAOYSA-N 409.540 5.246 0 40 HKAB Cc1cc(C)cc(Nc2nc(NCCC(C)C)nc3c2cnn3-c2ccccc2)c1 7450939 CWKUQTYDIGWFFZ-UHFFFAOYSA-N 400.530 5.634 0 40 HKAB CCOc1cc(CNCc2ccccc2Cl)cc(Cl)c1OCc1ccccc1 8254084 HWGOJBNZUUCYSA-UHFFFAOYSA-N 416.348 6.261 0 40 HKAB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(c2ccc(F)cc2)C3=O)cc1 9011894 HVWSVCWJMQHICF-QHCPKHFHSA-N 401.416 5.413 0 40 HKAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1c(F)cccc1Cl 9107460 CQZQMVHTJYKOKX-UHFFFAOYSA-N 408.860 5.211 0 40 HKAB CCc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(Cl)c(Cl)c4)c3c2c1 9675885 GGWNKQJCGYGKMS-UHFFFAOYSA-N 418.327 7.110 0 40 HKAB CCCCN(Cc1ccccc1)C(=O)c1csc(Nc2cccc3ccccc23)n1 9846139 GFTCIAUIBFRHEK-UHFFFAOYSA-N 415.562 6.482 0 40 HKAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1nc2ccccc2s1 9884276 BWZUHONTPXQATO-KRWDZBQOSA-N 401.535 5.422 0 40 HKAB Cc1ccc(-n2nc(C)c(NC(=O)CCCSc3ccc(Cl)cc3)c2C)cc1 12767213 XTSPVHAXDDRDKE-UHFFFAOYSA-N 413.974 5.962 0 40 HKAB CCOc1cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)ccc1OC 12983151 UFNYUYOKDQZIBS-YLZCUGDYSA-N 408.523 5.081 0 40 HKAB CC(C)c1ccc(NC(=O)CSc2nc(-c3ccccc3F)nc3nc[nH]c23)cc1 13561665 LAVDVVFRAAVHHU-UHFFFAOYSA-N 421.501 5.013 0 40 HKAB aggregator CCOc1cc(C(=O)Nc2ccc(Br)cc2)nc2ccc(Cl)cc12 15829211 UYKMKCUQHKAXHF-UHFFFAOYSA-N 405.679 5.302 0 40 HKAB C[C@@H](CCCNC(=O)Nc1cccc(Cl)c1)CNC(=O)Nc1cccc(Cl)c1 16576270 VLVAJGMDBONIDS-AWEZNQCLSA-N 423.344 5.353 0 40 HKAB Cc1cc(C)cc(NC(=O)COc2cccc3ccc(N4CCC[C@@H](C)C4)nc23)c1 17010599 LYBKMGIIPTZZDW-QGZVFWFLSA-N 403.526 5.105 0 40 HKAB Cc1cccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCCC2)c1 19235064 JHBSMOPRBZNBBM-HJOGWXRNSA-N 408.611 5.063 0 40 HKAB O=C(CCCCCCCCCCC(=O)NCc1ccccc1)NCc1ccccc1 20522632 VKBSIBBWARHSLR-UHFFFAOYSA-N 408.586 5.520 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C(=O)OC(C)C)cc3)o2)cc1Cl 20528441 YZCOASXOQICXEG-ACCUITESSA-N 423.896 6.126 0 40 HKAB CCc1nn2c(C)c(C(=O)Nc3cccc(C)c3)nnc2c1-c1cccc2ccccc12 20672808 INRURRUBKPKWQU-UHFFFAOYSA-N 421.504 5.376 0 40 HKAB Cc1nc(COc2ccccc2C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cs1 22691274 RKAIHYMCMBXAHJ-UHFFFAOYSA-N 408.310 5.172 0 40 HKAB Cc1cc2occ(CC(=O)N(C)Cc3cnn(Cc4ccccc4)c3)c2cc1C(C)C 24395888 QEQUWPODYNDXRK-UHFFFAOYSA-N 415.537 5.311 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)cc1 24925008 FODMDZHJEVREMI-UHFFFAOYSA-N 404.514 5.101 0 40 HKAB Cc1cccc2c1NC(=O)[C@@]21NC[C@@H](c2ccccc2Cl)c2c1[nH]c1ccccc21 25686066 CCFQSLGUMVNBMA-SSOJOUAXSA-N 413.908 5.061 0 40 HKAB O=C(COc1ccc(Br)cc1Cl)Nc1ccc(OC(F)(F)F)cc1 35330554 VABAFDLNQRJDGG-UHFFFAOYSA-N 424.600 5.019 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc(O)c(-c3nc4cnccc4o3)c2)c1 36366712 WGBOKQVVOLTBAP-UHFFFAOYSA-N 403.438 5.027 0 40 HKAB COc1ccc(C2=NC3(CCCCCC3)N(C(=O)c3ccc(C)c(C)c3)C2=S)cc1 45933092 UVSKGAGQWWTMAF-UHFFFAOYSA-N 420.578 5.635 0 40 HKAB CN(c1ccccc1)c1ccccc1NC(=O)N(Cc1cccnc1)C[C@H]1CCCO1 48083627 RHJDLVKGTAZKGC-JOCHJYFZSA-N 416.525 5.063 0 40 HKAB CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1cc(C)c(OC)cc1C)NC2 55008566 UMNFUBGCQCAOLZ-VWLOTQADSA-N 406.526 5.093 0 40 HKAB COc1cccc(Cn2c(SCc3ccc(F)c(F)c3)nc3ccccc3c2=O)c1 67258804 IEUYPLXMBNHTMW-UHFFFAOYSA-N 424.472 5.024 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C(F)(F)F)cc2)nc1 67296579 DIVISTFHSMRHMR-SLMZUGIISA-N 423.394 5.640 0 40 HKAB O=C(Nc1ccc(Sc2ccccc2Cl)cc1)c1ncoc1[C@H]1CCCO1 79357577 BTLBVQVTRBIBOH-MRXNPFEDSA-N 400.887 5.583 0 40 HKAB Cc1noc(C)c1CC(=O)Nc1nc2cc(Cl)ccc2n1CCCc1ccccc1 84023118 IDIXDRKJTJHDSF-UHFFFAOYSA-N 422.916 5.109 0 40 HKAB CCOc1ccccc1NC(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1 96119766 DZIOBZDOCBMDQA-UHFFFAOYSA-N 420.494 5.432 0 40 HKAB COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)cc2)c1 101375366 AJFHLMTYFCDAJK-UHFFFAOYSA-N 405.837 5.374 0 40 HKAB CCOc1c(Cl)cc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 108057589 CSYQLBZNMINKPD-UHFFFAOYSA-N 424.880 5.454 0 40 HKAB CCOc1ccccc1CCCNC(=O)c1cc(Cl)ccc1OCc1ccccc1 219769615 INHPGWUACDDUHN-UHFFFAOYSA-N 423.940 5.680 0 40 HKAB Cc1ccccc1CSCCNC(=O)CSCc1ccc(Cl)cc1Cl 222718545 UNTDSAKIPVFIGW-UHFFFAOYSA-N 414.423 5.585 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1cccc(Cl)c1 223009981 WKKSUNVRUNQEFS-LJQANCHMSA-N 412.382 5.509 0 40 HKAB CC[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(OC)c(C)c1 223381087 KLNRXMCQDJOZRN-QHCPKHFHSA-N 405.563 6.177 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 224219771 LTQZDZZFUWQHGG-BJKOFHAPSA-N 410.546 5.358 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccc(C)c(C)c1 224618498 FBGFLWKIIJWPMS-FQEVSTJZSA-N 403.522 5.772 0 40 HKAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)C1(c2ccccc2)CCOCC1 225025313 UJCRSHJYGFGYNE-UHFFFAOYSA-N 424.393 5.091 0 40 HKAB Cc1ccc([C@@H](NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c2ccccc2)cc1 225289567 NBCFVSDACOEUPQ-SANMLTNESA-N 409.533 5.376 0 40 HKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)NC(=O)c1ccccc1N2 252498349 QZHHYPALJKSIRN-UHFFFAOYSA-N 413.355 5.147 0 40 HKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4cccc(OC)c4)C3)c2)cc1 257307336 SYFRAAVCYRTICV-OAQYLSRUSA-N 416.521 5.094 0 40 HKAB Cc1ncsc1C(=O)N1CCCC[C@@H]1c1ccc(Cc2ccccc2Cl)nc1 257317528 VKCVMHRNIPHGFE-HXUWFJFHSA-N 411.958 5.458 0 40 HKAB Cc1ccccc1CNC(=S)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408577130 RIKFZJVDVWCMLP-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 408638484 CPGHSNVRRUHWIS-FQEVSTJZSA-N 422.484 5.624 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 408778511 GPHRVUWPYPSZTH-VWLOTQADSA-N 416.546 5.330 0 40 HKAB Cc1ccccc1CSCCNC(=O)CSCc1cccc(Br)c1 409028676 PYHGCYCHBJFECI-UHFFFAOYSA-N 424.429 5.040 0 40 HKAB C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1)c1ccc(Cl)cc1 632721 GOPXJAPMZFTYGJ-QGZVFWFLSA-N 401.897 5.684 0 40 HKAB Cc1cc(-c2ccc(F)cc2)nc2cc(C(=O)Nc3cc(Cl)ccc3Cl)nn12 994232 WYIKBLSNCAUBKX-UHFFFAOYSA-N 415.255 5.403 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)COc4cccc5ccccc45)c3)oc2c1 1413887 WSTMABVJWIEZBD-UHFFFAOYSA-N 422.484 6.282 0 40 HKAB COc1ccc(Oc2c(C)oc3cc(OCc4cccc(OC)c4)ccc3c2=O)cc1 2097298 SLGQHYKUZWTSGJ-UHFFFAOYSA-N 418.445 5.490 0 40 HKAB biogenic c1ccc(Oc2ccc(-n3c(-c4cccs4)nc4nc5ccccc5nc43)cc2)cc1 2252693 VMFDWOBVOXPJIH-UHFFFAOYSA-N 420.497 6.490 0 40 HKAB CCC(C)(C)c1ccc(OCCCC[n+]2cn(C)c3ccccc32)c(C(C)(C)CC)c1 2293656 LLMRINXPTOCORC-UHFFFAOYSA-N 421.649 6.700 0 40 HKAB Cc1ccc(-c2cc(C(=O)Oc3cccc4cccnc34)c3ccccc3n2)cc1C 2303124 LKQKIHVZRLCDJX-UHFFFAOYSA-N 404.469 6.286 0 40 HKAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1cc(Cl)ccc1Cl 3349738 YHBWJFRJDRJFCP-UHFFFAOYSA-N 414.288 5.385 0 40 HKAB Clc1ccccc1CSc1nnc(COc2ccccc2)n1-c1ccccc1 4124897 NMANESVLWWQNHD-UHFFFAOYSA-N 407.926 5.792 0 40 HKAB O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cccc(Cl)c3Cl)[C@H]12 4145122 WQXWAFMYHQNXKI-AVRDEDQJSA-N 410.325 6.774 0 40 HKAB COc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)N(C(=O)CC(C)C)c2ncnn21 4816973 VHQQJXUEUPVNSW-UXHICEINSA-N 424.932 5.054 0 40 HKAB CCn1c(SC)nnc1[C@@H]1CCCN1C(=O)N(c1ccccc1)c1ccccc1 5001571 WJVRRMILCKZXQV-IBGZPJMESA-N 407.543 5.115 0 40 HKAB CC(C)CCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2ccccc2c1=O 5036708 CMENROFTWKUGDM-UHFFFAOYSA-N 423.582 5.297 0 40 HKAB Cc1ccc(Nc2nnc(S[C@@H](C(=O)N3CCCC3)c3ccccc3)s2)cc1 5277969 JMRBCYKFPJETNA-GOSISDBHSA-N 410.568 5.046 0 40 HKAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(OCc4ccccc4)cc3)NC(=O)CN21 5488748 KMXYRPUVIXGSDF-MJAMSPNLSA-N 424.544 5.211 0 40 HKAB Cc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2CC(=O)O)cc1C 5614457 BUNSVDSXSRHLJD-UHFFFAOYSA-N 406.429 5.816 0 40 HKAB COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1 5661749 JTQVKOUZHIJSSA-WEVVVXLNSA-N 405.306 5.777 0 40 HKAB CCOC(=O)N[C@H](CC(=O)Nc1ccc(C23CCC(CC2)CC3)cc1)c1ccccc1 5979764 WODNVILAACAQFK-CXSPSCEVSA-N 420.553 5.724 0 40 HKAB Cc1sc2ncnc(SCC(=O)N3CC[C@H](C)Sc4ccccc43)c2c1C 6113067 TYTXVUXEXRNXAW-LBPRGKRZSA-N 415.609 5.318 0 40 HKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1 7881813 RYBIDQVLVPASIS-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)c1 7882443 GVSJENCTBQNRTG-LJQANCHMSA-N 400.478 5.087 0 40 HKAB CCOc1ccc(/C=C/C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1OC 8086206 UPKXVAVSISVGRA-PKNBQFBNSA-N 422.550 5.123 0 40 HKAB Cc1nc(COc2ccc(C(=O)Nc3ccc(N4CCCCCC4)cc3)cc2)cs1 8193290 YOCAFIZRTFAWAX-UHFFFAOYSA-N 421.566 5.663 0 40 HKAB CCc1n[nH]c(=S)n1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 8339348 GOXATWINILDSKC-UHFFFAOYSA-N 409.342 5.133 0 40 HKAB Cc1ccc(C(=O)Cn2c(=S)n(-c3ccccc3)c(=O)c3ccccc32)c(C)c1 8410441 WKXNDGVFJAUSHT-UHFFFAOYSA-N 400.503 5.021 0 40 HKAB COc1cc(CNCc2cccs2)cc(Br)c1OCc1ccccc1 8470314 OOTFMZOWRJRQLB-UHFFFAOYSA-N 418.356 5.388 0 40 HKAB C[C@H](CNC(=O)c1ccccc1Oc1ccccc1)c1nc2ccccc2n1C(F)F 9202525 PZWXDMHNBDLNGJ-MRXNPFEDSA-N 421.447 5.757 0 40 HKAB Cc1ccsc1CN(Cc1ccco1)C(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 9204574 JOYRSQRVPYLKBR-QGZVFWFLSA-N 417.958 5.916 0 40 HKAB CC(C)c1ccc(OCC(=O)Oc2cc(-c3ccccc3)c3oc(=O)sc3c2)cc1 9408844 XUQOIESJHADZES-UHFFFAOYSA-N 420.486 5.629 0 40 HKAB CCCCn1nc(C)c(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)c1Cl 9515483 BBWMLWYRRZQZGY-UHFFFAOYSA-N 413.934 5.502 0 40 HKAB c1ccc(Cn2c(SCc3nc4ccccc4s3)nnc2-c2cccs2)cc1 9561810 DLZOGZAOZQGHIC-UHFFFAOYSA-N 420.588 5.957 0 40 HKAB Cc1nc(SCC(=O)Nc2ccccc2N2CCCC2)n(C2CCCCC2)c1C 9870571 DQZUHFHSDRUDOM-UHFFFAOYSA-N 412.603 5.336 0 40 HKAB CCOC(=O)c1c(C)oc2ccc3oc(=O)c(-c4nc5ccccc5s4)cc3c12 11867638 ULHDCZQCGRDOLY-UHFFFAOYSA-N 405.431 5.301 0 40 HKAB O=C(Nc1ccc(Cl)cc1)/C(=C/c1cccc(O)c1)c1nc2ccccc2s1 13113764 WLIAEGLNJRYXSH-AQTBWJFISA-N 406.894 5.835 0 40 HKAB O=C(Cc1csc(-c2cccs2)n1)Nc1nc(-c2ccc(Cl)cc2)cs1 14634771 XHELQORSTMGGRR-UHFFFAOYSA-N 417.968 5.830 0 40 HKAB COc1ccc(-c2cc(NC(=O)CCC(=O)c3ccc(C)s3)ccc2OC)cc1 17605037 NDEZQOZPFRYJBG-UHFFFAOYSA-N 409.507 5.342 0 40 HKAB C[C@@H](NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)c1cccc(Cl)c1 17908677 VUVLONRACBQOLI-MRXNPFEDSA-N 405.885 5.058 0 40 HKAB Clc1ccc(-c2cn3cccc(OCc4c(Cl)cccc4Cl)c3n2)cc1 20031968 CLMHNRIPCRZGPP-UHFFFAOYSA-N 403.696 6.541 0 40 HKAB Oc1nc(/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc(C(F)(F)F)n1 20058964 PMXUHAOCLAPTCA-SNAWJCMRSA-N 400.278 5.650 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1Cl 20412093 MVNRYWNUGYCHHC-UHFFFAOYSA-N 422.308 5.744 0 40 HKAB C[C@@H]1CC(=O)c2c(Nc3ccc(Cl)c(Cl)c3)nn(-c3ccc(F)cc3)c2C1 20796620 NMGBBGXNMLCGRG-NSHDSACASA-N 404.272 5.827 0 40 HKAB CCOC(=O)[C@@H]1CCCN(c2cc(-c3nc4ccccc4s3)c3ccccc3n2)C1 25562686 XXUJGIBJYRPXTC-MRXNPFEDSA-N 417.534 5.291 0 40 HKAB CCN(Cc1ccccc1)[C@H](c1ccc(C(F)(F)F)cc1)c1nnnn1C(C)(C)C 26438813 CDJFIQCEUPRUOM-LJQANCHMSA-N 417.479 5.058 0 40 HKAB C[C@@H](NC(=O)c1ccccc1SCc1cn2ccccc2n1)c1ccc(F)c(F)c1 28433421 NUHKFNZDURVLBI-OAHLLOKOSA-N 423.488 5.396 0 40 HKAB Cc1ccccc1CSCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 30870993 AOVKMLBNGXTROB-UHFFFAOYSA-N 414.423 5.585 0 40 HKAB Cc1nc(-c2ccc([C@H](C)NC(=O)c3cccc(Nc4ncccn4)c3)cc2)cs1 30893478 AQFDDSFBNIQKAC-HNNXBMFYSA-N 415.522 5.143 0 40 HKAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2c(ccn2Cc2ccccc2)c1 32089373 GZTHZUIACYBHAJ-UHFFFAOYSA-N 423.560 5.084 0 40 HKAB COc1cc([C@H](C)NC(=O)CCCC(=O)c2cccs2)ccc1OCC(C)C 32830887 NVSRHQSXKGEDRY-INIZCTEOSA-N 403.544 5.022 0 40 HKAB C[C@H](CNC(=O)N1CCC(c2ccccc2)CC1)c1nc2ccccc2n1C(F)F 32909415 KRFWYRUXSYTDQF-MRXNPFEDSA-N 412.484 5.124 0 40 HKAB Cc1ccc2[nH]c3c(SCC(=O)Nc4ccccc4C(F)(F)F)ncnc3c2c1 33172468 KIBKLVMGBBQZBX-UHFFFAOYSA-N 416.428 5.169 0 40 HKAB CCn1c(COc2c(C)cccc2C)nnc1SCc1ccc(Cl)c(Cl)c1 33720198 ACTBQIVCUDMMNP-UHFFFAOYSA-N 422.381 6.093 0 40 HKAB O=C1N/C(=N\c2ccc(Cl)cc2Cl)S/C1=C/c1ccc(Cl)cc1Cl 35647486 OIPROQODTWEASX-LHHJGKSTSA-N 418.132 6.192 0 40 HKAB CN(C)c1nc2ccccc2cc1CN(Cc1cccnc1)Cc1ccccc1F 36740085 GGGBFDAGONWHML-UHFFFAOYSA-N 400.501 5.037 0 40 HKAB O=S(=O)(Cc1csc(-c2ccccc2Cl)n1)Cc1ccc(F)cc1Cl 40070188 PVWYCVNDLKKPTD-UHFFFAOYSA-N 416.326 5.371 0 40 HKAB O[C@@](c1cnc(NC2CCCCC2)s1)(c1nc2ccccc2s1)C(F)(F)F 48252104 VSDGJKIBEFNFHQ-KRWDZBQOSA-N 413.490 5.296 0 40 HKAB Cc1cc(NC(=O)N(CCc2ccccc2)Cc2ccncc2)ccc1Br 58345544 QVOZIGYHUMUSDD-UHFFFAOYSA-N 424.342 5.429 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](NCc1ccccc1)c1ccccc1 58451776 IPDLBPOODBNKIX-HXUWFJFHSA-N 418.846 5.828 0 40 HKAB CC[C@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1ccc(C)c(NC(C)=O)c1 96012094 PEVXRWMEYHVUBP-QFIPXVFZSA-N 419.569 5.315 0 40 HKAB CCOc1cc2c(cc1NC(=O)/C=C\c1csc(-c3ccc(F)cc3)n1)O[C@@H](C)C2 96926065 SUUFKMSYPXBNBX-CKXPSTMWSA-N 424.497 5.323 0 40 HKAB COc1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c(OC)c1 214718732 HSGPRYVSZRPKCT-CAOOACKPSA-N 424.305 5.247 0 40 HKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1C1CCCC1 224162151 NYTKMNWRCWESJN-RPWUZVMVSA-N 416.594 5.792 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2C)cc1COc1ccc(C(C)(C)C)cc1 224179263 IFOMNOPZASFVMJ-UHFFFAOYSA-N 403.522 6.132 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1cc(C)cc(C)c1C 224274913 WTANHCFUOHMXMH-HXUWFJFHSA-N 403.522 5.690 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1COC(C)C 224431228 RQGMGFGFIDMAJO-UHFFFAOYSA-N 401.812 5.545 0 40 HKAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@H](CC(C)C)c1ccccc1 224550260 MMBFDDAEDFOZOI-QHKNXTSZSA-N 416.521 5.263 0 40 HKAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccc2ccccc2c1 224644379 BSDRWXMOMGVYBK-UHFFFAOYSA-N 403.522 5.690 0 40 HKAB Cc1ccc(-c2nnc(NC(=O)c3ccccc3OCc3ccccc3)s2)cc1 225575546 OFNXUTVYEPNJNT-UHFFFAOYSA-N 401.491 5.345 0 40 HKAB CCOC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c1 225700237 XKCYOPVLSODDMF-QFIPXVFZSA-N 404.535 5.248 0 40 HKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225745055 UKOKJOCKLRONSK-HYBUGGRVSA-N 404.595 5.111 0 40 HKAB O=C(NCCCOC1CCCCC1)c1cccc(OCc2ccccc2Cl)c1 225779342 ZJDHJTMZCYPCSC-UHFFFAOYSA-N 401.934 5.388 0 40 HKAB COCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C(F)(F)F 225955884 AUGLMEYEWFLYSL-UHFFFAOYSA-N 421.459 5.490 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(Br)cc2)cc1N1[C@H](C)CCC[C@H]1C 226330358 KJAHBJOKLSGVOP-HUUCEWRRSA-N 416.363 5.359 0 40 HKAB NC(=O)c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226339741 HWTDIMFAPPOGAJ-UHFFFAOYSA-N 409.494 5.087 0 40 HKAB Cc1ccc2c3c(oc2c1)[C@H]1OCC2(CCN(C(=O)C4CC4)CC2)C[C@@H]1C(C)(C)C3 257276732 NUWUGLHFDBIZRJ-REWPJTCUSA-N 407.554 5.420 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCC 408528683 FTUNHCWXACIMBZ-UHFFFAOYSA-N 405.494 6.309 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(OC)cc3)c(Cl)c2)cc1 408558403 UKPJVVHAYCONEY-UHFFFAOYSA-N 424.928 5.541 0 40 HKAB CCOc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl 408593293 MGUMKZQMCKNNSU-UHFFFAOYSA-N 417.914 5.119 0 40 HKAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3ccc(C)cc3C)sc2n1 408619600 JVTGASUEIXVEIS-UHFFFAOYSA-N 412.584 5.273 0 40 HKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Cl)cc2Cl)cc1 408674893 DSXFDOCBUAPTNN-UHFFFAOYSA-N 423.299 6.043 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(C)cc2)cc1 408693670 BQNQBRCZHJKYFD-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3C)cc2-c2ccc3ccccc3c2)c1 408727973 YUDWJPPRSQMESA-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1cccc(Cl)c1 409051868 HBHDOQUPHWWWRF-UHFFFAOYSA-N 408.885 6.522 0 40 HKAB Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c(C)c1 409204257 FAQVTPOXNHPWKL-UHFFFAOYSA-N 412.942 5.990 0 40 HKAB O=C(O)c1cccc(-n2cccc2/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1 409211773 OMMJEHGJPWDVMX-LDADJPATSA-N 424.865 5.070 0 40 HKAB O=C(N[C@H](c1ccsc1)c1cccs1)c1cc(Br)ccc1Cl 575414878 MQHSPAAKPCCVOA-OAHLLOKOSA-N 412.761 5.745 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[C@H](C)C2 799886 SICAPVMHPKPZOA-NSHDSACASA-N 422.344 5.064 0 40 HKAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3cccc(C)c3C)n12 902966 CHAOLNTVCITEOQ-UHFFFAOYSA-N 404.539 5.155 0 40 HKAB O=C(COC(=O)c1ccc(Cc2ccccc2)cc1)c1ccc(Br)cc1 991355 UBLDXPQXSBQMIL-UHFFFAOYSA-N 409.279 5.080 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccc(Cl)cc2s1 995644 GIWBWSMZRPWXHR-QMMMGPOBSA-N 401.702 5.663 0 40 HKAB O=C1C(Cl)=C(Nc2cc(Cl)cc(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 1786192 BFVKKKNZFPXDCS-UHFFFAOYSA-N 416.091 5.078 0 40 HKAB COc1ccc([C@@H](C)NCC[C@@H](c2ccccc2)c2ccc(OC(C)C)cc2)cc1 1826507 BQZCDFZRTSMLBA-ZBLYBZFDSA-N 403.566 6.355 0 40 HKAB biogenic Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc5ccccc5c4)cc3)sc2c1 2132041 LPXJJMQDDDPLED-UHFFFAOYSA-N 424.525 6.442 0 40 HKAB Cc1ccc([C@H](CC(=O)Nc2cccc3ccccc23)c2ccc(OC(C)C)cc2)cc1 2247675 NIBMBZUOECCSRY-MHZLTWQESA-N 423.556 7.096 0 40 HKAB CCCCCn1c(O)c(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2ccccc21 2275457 DVKLFDWCPPOFQU-UHFFFAOYSA-N 419.308 5.456 0 40 HKAB CCc1ccccc1NC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 2281176 LUBSLCSJXAPFFX-SFHVURJKSA-N 413.348 6.137 0 40 HKAB CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 2441634 PPLMJLJOUVDZQA-RUZDIDTESA-N 415.493 5.116 0 40 HKAB Cc1nn(C(=O)c2ccc(Br)cc2)c(C)c1Sc1ccc(F)cc1 2685881 IJLSFDGBRCQWSO-UHFFFAOYSA-N 405.292 5.241 0 40 HKAB CCCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCCC2 2742311 JJOFPKHSSLDTKU-UHFFFAOYSA-N 415.555 5.164 0 40 HKAB CCCC[C@H](CC)C(=O)Nc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1 3101101 FTODWQSDDJEIDC-NRFANRHFSA-N 414.549 6.820 0 40 HKAB Cc1ccc(OCCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1 3174399 NVFUSBNYHNAISH-UHFFFAOYSA-N 402.210 5.184 0 40 HKAB O=S(=O)(c1ccccc1)c1nc(-c2ccccc2Cl)oc1NCc1ccccc1 3205640 IUNBRPYJHWUDEM-UHFFFAOYSA-N 424.909 5.440 0 40 HKAB CC(=O)Oc1ccc(-c2cccc(C(=O)N(c3ccccc3)c3ccccc3)c2)cc1 3208707 QDUATRVNRRFWMU-UHFFFAOYSA-N 407.469 6.257 0 40 HKAB O=P(NNc1cccc(C(F)(F)F)c1)(Oc1ccccc1)Oc1ccccc1 3213901 CBTIGMRGNQKAPC-UHFFFAOYSA-N 408.316 5.888 0 40 HKAB Cc1cc(Br)c(OCc2ccc(-c3nnco3)cc2)c(Br)c1 3256251 MZBGTRHLMRXHCZ-UHFFFAOYSA-N 424.092 5.149 0 40 HKAB COc1cccc(NC(=O)[C@H](Sc2ncnc3ccccc23)c2ccccc2)c1 3297511 HSXOTNPHIGQLOJ-OAQYLSRUSA-N 401.491 5.111 0 40 HKAB Cc1ccc(-c2cc(C(=O)NCc3cccc(Cl)c3)c3ccccc3n2)c(C)c1 3297767 SGACPRQLIXPATD-UHFFFAOYSA-N 400.909 6.102 0 40 HKAB O=C(OCc1c(Cl)cccc1Cl)c1cc(-c2ccccc2)nc2ccccc12 3318512 VLCRPVKUYSAIMS-UHFFFAOYSA-N 408.284 6.566 0 40 HKAB CCOc1ccccc1Nc1nnc(SCc2cccc(Br)c2)s1 3364534 WLFKWJVEUDBERN-UHFFFAOYSA-N 422.373 5.735 0 40 HKAB CC(C)(C)C(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3 3435817 FLBLQRCKIHYTQE-UHFFFAOYSA-N 404.601 5.159 0 40 HKAB COc1ccc(CCSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)cc1 3455410 VUZINUJMWNLJRZ-UHFFFAOYSA-N 423.488 5.556 0 40 HKAB O=C(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1ccc(Br)cc1 3655378 DKANCLZDLKKDIH-UHFFFAOYSA-N 420.262 5.679 0 40 HKAB COc1cc([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)ccc1O 4179326 OJSROJGEYSULQD-AREMUKBSSA-N 409.485 5.834 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc4ccccc24)N3)C1 4553433 ZYYWARZMEXHQOL-KSFYIVLOSA-N 404.579 6.871 0 40 HKAB CCOc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)ccc1O 4553449 CGKQMGBBBJTPAJ-VBKZILBWSA-N 414.571 5.822 0 40 HKAB CC(C)c1ccc([C@H]2C=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 4686206 OEVYKBHQWZNQEP-XMMPIXPASA-N 404.460 6.172 0 40 HKAB Oc1cc(OCc2ccc(Cl)cc2)ccc1-c1[nH]ncc1-c1ccc(Cl)cc1 4749789 MMPXSYNPXIREMK-UHFFFAOYSA-N 411.288 6.335 0 40 HKAB COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3ccc(C)cc3)oc12 4937820 REQCKCJZTWSYGP-IZHYLOQSSA-N 419.502 5.123 0 40 HKAB COc1ccc([C@H]2CC(=O)[C@@H](C(=O)OC3CCCCC3)[C@@H]2c2ccc(OC)cc2)cc1 5411726 YHURCXIZSWWLLE-QLBJFCOMSA-N 422.521 5.036 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 5724990 IZAGGAIIBSWJAQ-UHFFFAOYSA-N 414.288 5.550 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNc4ccccc4)cc23)cc1 6079386 RSLNDLCIUUUUOI-UHFFFAOYSA-N 406.489 5.301 0 40 HKAB COc1ccc2c(c1)C(c1cccc(C(F)(F)F)c1)=NNC(c1ccc(F)cc1)=N2 6200090 RNLWIOMRWMOWES-UHFFFAOYSA-N 413.374 5.287 0 40 HKAB COc1ccc(-c2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2C)cc1 6217455 GYQOMVJVLMFLPY-UHFFFAOYSA-N 414.530 5.898 0 40 HKAB Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2C(F)(F)F)cc1 6593183 QOOALVDQAXWPFZ-UNMCSNQZSA-N 412.386 6.087 0 40 HKAB CCOC(=O)CSc1c(C)nc2ccc(Br)cc2c1-c1ccccc1 6709409 VRYTWKGZCCQRQL-UHFFFAOYSA-N 416.340 5.628 0 40 HKAB COc1ccc([C@H](NC(=O)c2c(C)nn(-c3ccccc3)c2C)c2ccccc2)cc1 6880815 NFAJPBFLNJLTBX-RUZDIDTESA-N 411.505 5.017 0 40 HKAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCCSc3ccccc3)n2)cc1 6887182 ABPGXGWAFLTASK-UHFFFAOYSA-N 411.552 5.280 0 40 HKAB CCCCCNCc1cc(Br)c(OCc2ccccc2)c(OCC)c1 7261231 FJSNGDGMFNLVKW-UHFFFAOYSA-N 406.364 5.707 0 40 HKAB Cc1ccc2c(NC(=S)NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cccc2n1 7388591 SGXOPLRSMJRPQO-NTCAYCPXSA-N 413.502 5.330 0 40 HKAB CCOc1cc(CNCCCN(C)C)ccc1OCc1ccc(Cl)cc1Cl 8254575 CWAVLBFLBZAGAU-UHFFFAOYSA-N 411.373 5.012 0 40 HKAB COc1cccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1 8534885 ZLSLGIKNZJRHTI-SLFMHBNRSA-N 405.582 5.969 0 40 HKAB Cc1cccc(C(=O)Nc2ccc3nc(SCCOc4ccccc4)sc3c2)c1 8830893 YAEDWTHNSIGPCD-UHFFFAOYSA-N 420.559 6.028 0 40 HKAB Fc1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCO5)cc1Cl 9675897 UKZCJRIMAPMKBY-UHFFFAOYSA-N 417.827 5.762 0 40 HKAB Cc1ccc(C)c(OCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667387 FZNAADKKCCTLCT-IBGZPJMESA-N 417.509 5.206 0 40 HKAB O=C(c1ccc(Br)cc1)N1c2ccccc2Sc2ccc(Cl)cc21 12021319 WDJJHBVUGCZMDP-UHFFFAOYSA-N 416.727 6.546 0 40 HKAB COc1ccc(O)c(C(=O)c2cnc3c(c2)c(-c2ccccc2)nn3-c2ccccc2)c1 13129390 XAUPCMLTVKIRGY-UHFFFAOYSA-N 421.456 5.033 0 40 HKAB Cc1cc(C)c2nc(SCC(=O)Nc3nc(C)c(Cl)cc3Cl)cc(C)c2c1 13148581 VDEGULHITWMGCH-UHFFFAOYSA-N 420.365 5.901 0 40 HKAB O=c1oc2cc(O)ccc2cc1-c1csc(-c2cc3cc(Cl)ccc3oc2=O)n1 13898516 RHSDKLSMZRQFHF-UHFFFAOYSA-N 423.833 5.049 0 40 HKAB COc1ccc(NCc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1Cl 16226880 ZMGCDHRJYAPELE-UHFFFAOYSA-N 421.899 6.832 0 40 HKAB CCCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)c1 16751257 TYUDKWXTUVFKIG-JOCHJYFZSA-N 405.494 5.317 0 40 HKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccccn1 17091336 KDJZHLOCMUYMPW-FNORWQNLSA-N 418.305 5.175 0 40 HKAB CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCCN1Cc1ccccc1Cl)c1ccccn1 19081756 JIRXMUSMNLRCSB-SIKLNZKXSA-N 413.993 5.383 0 40 HKAB COc1ccc([C@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1OC 19932442 WIRBWALSYUFIOZ-LBPRGKRZSA-N 414.354 5.121 0 40 HKAB CC(C)Oc1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 20457631 AJRIAAIMTYRIKM-UHFFFAOYSA-N 407.535 5.897 0 40 HKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CSc2ccccc2)cc1 22527669 YEPOQBXABODXHF-OAQYLSRUSA-N 411.954 6.428 0 40 HKAB O=C(Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2ccccc12)c1ccco1 27664493 DVVTXKMZQWIJBV-UHFFFAOYSA-N 414.339 5.549 0 40 HKAB Cc1ccc2c(C)c(C(=O)NC[C@H](c3ccccc3)c3c[nH]c4ccccc34)oc2c1 27794290 JJINYQBPDACCJZ-JOCHJYFZSA-N 408.501 6.093 0 40 HKAB O=C(NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccco1 32126350 IDVUDTLNITUQRB-UHFFFAOYSA-N 413.458 5.368 0 40 HKAB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1cccc2c(Cl)cccc12 32127319 SDRFHYWKHQCDEH-UHFFFAOYSA-N 423.925 5.192 0 40 HKAB O=C(Nc1ccc(F)c(F)c1)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 38501249 VQHUYECPLFTGSZ-UHFFFAOYSA-N 423.394 5.121 0 40 HKAB CC(=O)N(c1ccc(C)cc1)c1nc(CN(C)Cc2ccc(F)cc2F)cs1 40158342 MFFIUOYCKCZXQF-UHFFFAOYSA-N 401.482 5.046 0 40 HKAB Cc1cc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)ccc1Br 44842421 CKOCPEPFOMJODH-UHFFFAOYSA-N 421.338 5.573 0 40 HKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)c3ccccc3)cc2)C1 44915923 WYAROWJYFCXZCH-HXUWFJFHSA-N 412.533 5.402 0 40 HKAB CCOC(=O)c1ccc2oc(-c3cc(Cl)c(Br)c(Cl)c3)nc2c1 45919941 PSLKSUZCRGKGMC-UHFFFAOYSA-N 415.070 5.741 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(C)c1 49005020 PBNUEDPQZAQWOU-HXUWFJFHSA-N 402.542 5.703 0 40 HKAB O=C(CN1C=C(c2ccccc2)N2CCC[C@@H]12)Nc1ccc(Oc2ccccc2)cc1 49885666 KUVDBRQSFQNFCT-SANMLTNESA-N 411.505 5.154 0 40 HKAB Cc1ccc2nsnc2c1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 57313836 GFXYDMGYUUSOBL-UHFFFAOYSA-N 414.284 5.275 0 40 HKAB CCS(=O)(=O)Nc1ccc(-c2cc(-c3ccc(Cl)cc3)c3ccccc3n2)cc1 58420665 SCTOIKQLOBDDID-UHFFFAOYSA-N 422.937 5.984 0 40 HKAB O=C(CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1)Nc1ccccc1 58960118 KGGIVIIPJZVGMR-UHFFFAOYSA-N 423.847 5.547 0 40 HKAB CC(C)CCC[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 59940953 MCKLJFJEQRYRQT-KIAYPANYSA-N 402.663 6.504 0 40 HKAB Cc1cc(C)cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1 67294447 USAZOWBZJDBXFB-PNHLSOANSA-N 402.881 6.188 0 40 HKAB C[C@]1(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1(Cl)Cl 69004254 CYLBERUSNKOPMB-FOIQADDNSA-N 421.755 5.653 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2Nc2ccccc2)cc1 72214177 IGTZIYASLZNHCW-QFIPXVFZSA-N 407.539 5.050 0 40 HKAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1)C1CC1 72215349 BGZCNRBXNRELBS-JOCHJYFZSA-N 407.558 5.713 0 40 HKAB Cc1nc(CNC(=O)COc2ccc3ccccc3c2)oc1-c1ccc(Cl)cc1 79074020 HPLWAHIAJUVTFR-UHFFFAOYSA-N 406.869 5.152 0 40 HKAB C[C@H]1C[C@H]2CC[C@]1(NC(=O)CCCCC(=O)N[C@@H]1C[C@@H]3CC[C@]1(C)C3(C)C)C2(C)C 100497601 ISINGHVAECMBPX-SRFKLDCVSA-N 416.650 5.209 0 40 HKAB CCCOc1ccc(C(=O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)cc1 101095477 LIWPEJRDWFPWKS-UHFFFAOYSA-N 406.482 5.189 0 40 HKAB COc1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3onc(C)c32)cc1OC 102724322 CYDWBGIXIUETLR-GAJHUEQPSA-N 416.477 5.608 0 40 HKAB Cc1ccc(-c2nnc(NC(=O)CSCc3ccc(Cl)cc3Cl)s2)cc1 105550622 OPKFTPFMBFCVEU-UHFFFAOYSA-N 424.378 5.692 0 40 HKAB O=C(c1cccc(Cl)c1)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 105592253 YPHMEKSGVWTWTE-KTBQNSCASA-N 406.869 5.963 0 40 HKAB Cc1cccc(CN2C(=O)S/C(=C/c3c(OC(C)C)ccc4ccccc34)C2=O)c1 214553006 KQUIOKIXBDNSGM-OEAKJJBVSA-N 417.530 6.172 0 40 HKAB CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)o2)cc1 222630551 FJZZEVPHVHNTLL-UZQPLGKSSA-N 405.523 5.330 0 40 HKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 222981483 UKWIFHVSWAUHQH-XMMPIXPASA-N 405.563 6.392 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccc(Cl)cc1 224157188 CSSVUDIMDJGXFA-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 224180438 VHXKNTVKPTXGDP-PKTZIBPZSA-N 415.493 5.658 0 40 HKAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccccc1C(C)C 224237047 FUGPODUCUFJXJH-UHFFFAOYSA-N 407.485 5.467 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1C 224284956 ODOHBCMRRSEEHT-DQEYMECFSA-N 424.573 5.666 0 40 HKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)c1 224528339 JHJDXELVXVNGRC-DHIUTWEWSA-N 420.582 5.267 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1CSc1ccc(Cl)cc1 224671481 APZSJRJOEMZBKT-UHFFFAOYSA-N 411.954 6.592 0 40 HKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 225084406 MMQWPEOMMJOYIP-YADHBBJMSA-N 422.613 5.383 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCCC4)cc3)CCCCC2)c1 225539634 DGORNLJAVCRJCP-UHFFFAOYSA-N 406.570 5.310 0 40 HKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 225846209 BISYTHNOXMZNNV-HSZRJFAPSA-N 407.551 5.212 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c2cccnc12 225865612 MSOYBQDZJXIUOB-UHFFFAOYSA-N 402.538 6.254 0 40 HKAB Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccccc1Br 226287936 JIUKOJINFDTJJC-UHFFFAOYSA-N 421.294 5.170 0 40 HKAB Cc1cc2nc(-c3cc(Br)c[n+](Cc4ccccc4F)c3)oc2cc1C 226308078 ZAQXZLCXQNFSCH-UHFFFAOYSA-N 412.282 5.349 0 40 HKAB O=C(OC12CC3CC(CC(C3)C1)C2)c1ccc(-c2cc3ccccc3oc2=O)cc1 226358089 IYPMVGIPAYIACD-UHFFFAOYSA-N 400.474 5.586 0 40 HKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc3ccccc3c2)S1 260772160 MNZMNIMDYLRJHC-GAZXMLTASA-N 410.546 5.615 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(F)cc2)cc1 408697604 IKRSSXIKXKVVCX-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2cccc(C)c2)c1 408700238 ZXTFBQNFTDNKGZ-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1F 409110159 SSVKVPNEDGGPBV-UHFFFAOYSA-N 413.920 6.631 0 40 HKAB CCOc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1ccc(F)cc1 409110822 AGNYBBCZEYBDBV-UHFFFAOYSA-N 413.920 6.686 0 40 HKAB COc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 409111278 BZZGXDDQKAIIHK-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB COc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409256189 KDHPUJFAEYGEEO-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB O=C1C[C@@H]2CCN(CC3CCCC3)C[C@@H]2CCOc2ccc(-c3ccccc3)cc2N1 1534646521 MTXPXYDLYDZFTR-ZEQRLZLVSA-N 418.581 5.593 0 40 HKAB CCCCNC(=O)c1ccc2c(c1)Cc1cccc(c1)CN(CCC)CCCCCO2 2037949524 ROIBAXZFRQTXLE-UHFFFAOYSA-N 422.613 5.582 0 40 HKAB COc1cccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCC4)c1 1297376 VJPTZJFRNRWIBP-UHFFFAOYSA-N 421.547 5.357 0 40 HKAB CC(C)c1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccccc4Cl)C3)n2)cc1 1360135 UZLJXJHPPRSATL-SFHVURJKSA-N 409.917 5.533 0 40 HKAB O=C(Nc1cccc(O)c1)c1ccc(CSc2ccc(Br)cc2)cc1 1431190 BMYBRJBJAMCUQW-UHFFFAOYSA-N 414.324 5.699 0 40 HKAB COc1ccc(C(=O)c2ccccc2)c(OC(=O)Nc2c(Cl)cccc2Cl)c1 1590167 IIIAUCHHIPOPBE-UHFFFAOYSA-N 416.260 5.844 0 40 HKAB CCCCN(CCCC)C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1 1644116 HUWMYWKVOFMCHZ-JOCHJYFZSA-N 404.392 6.052 0 40 HKAB O=C(O)c1c(-c2ccccc2)oc2ccc(OCc3ccc(Cl)cc3Cl)cc12 1797729 BKLNNDBNDLPXBA-UHFFFAOYSA-N 413.256 6.684 0 40 HKAB biogenic Cc1ccccc1C(=O)NC(=S)Nc1nc(-c2ccc(CC(C)C)cc2)c(C)s1 2112840 SWKSBKSBDUOXCY-UHFFFAOYSA-N 423.607 5.752 0 40 HKAB CCOC(=O)c1sc2nc(CSc3ccc(Cl)cc3)nc(Cl)c2c1C 3886941 QHSHJNYEINIWGG-UHFFFAOYSA-N 413.351 5.776 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nnc(SCc3cccc(F)c3)s2)cc1 4078326 MQQFOZWGMVZSAT-UHFFFAOYSA-N 417.531 5.401 0 40 HKAB Cc1cc(C)cc(-n2nc3c(c2NC(=O)CSCc2ccccc2)CSC3)c1 4087660 MBYBEAVVUFAPNG-UHFFFAOYSA-N 409.580 5.108 0 40 HKAB CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(CC=C(C)C)c1O 4098005 LQHKFMYWTKORCE-QFIPXVFZSA-N 408.494 5.527 0 40 HKAB biogenic,in-vivo C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4128714 PBSOPSDEYNTFAZ-BQZROWHLSA-N 404.591 5.688 0 40 HKAB Cc1ccc([C@H]2CC(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)=NO2)cc1 4135541 NBABFWAIZVHWIL-JOCHJYFZSA-N 414.892 6.023 0 40 HKAB CC(C)(C)N1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1=O 4386027 QBHTUAVXKYWRMA-HNNXBMFYSA-N 416.352 5.506 0 40 HKAB O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccc(-c2nc3ncccc3o2)cc1 4414567 WAQADWMXOQYCKS-UHFFFAOYSA-N 401.510 5.113 0 40 HKAB CC[C@@H](NC(=O)c1c(-c2ccccc2Cl)noc1C)C12CC3CC(CC(C3)C1)C2 4451502 MDBJBXQUNCJLLN-XOQVKLMPSA-N 412.961 6.028 0 40 HKAB Cc1csc(SCc2cc(=O)c(OC(=O)c3ccc4ccccc4c3)co2)n1 4518839 VYLBLIJNGXMHBO-UHFFFAOYSA-N 409.488 5.069 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 4576481 YUDLPNDUUNMMLG-UHFFFAOYSA-N 413.546 6.091 0 40 HKAB CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc12 4660858 ZDZNWARTBJJVQC-UHFFFAOYSA-N 415.511 5.116 0 40 HKAB O=C(N[C@@H](Nc1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1)c1cccs1 4714272 AXDAEDSUZLLQQB-XMMPIXPASA-N 412.514 5.466 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccccc2Cl)cc1 4715965 HKAACBCPGFJVIK-LADGPHEKSA-N 420.896 5.600 0 40 HKAB O=C(NCc1ccccn1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 5031896 NNDAFHZMYZKVOO-ALQIVBFESA-N 409.533 5.308 0 40 HKAB CC1=CC(C)(C)N=C(S)N1c1ccc(C)c(N2C(C)=CC(C)(C)N=C2S)c1 5160808 SZZSATMQRKDUGK-UHFFFAOYSA-N 400.617 5.571 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc2c3c(cccc13)CC2 5949218 YDZXLSVDCPXYTQ-UHFFFAOYSA-N 406.510 6.467 0 40 HKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 6243459 CLIVKNVBHYHFLY-SFHVURJKSA-N 418.562 5.906 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 6365062 SESLATNCJBEOIH-NTEUORMPSA-N 415.924 6.659 0 40 HKAB COc1ccc(CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)cc1F 6532190 UJWNSDHCCFBBRF-UHFFFAOYSA-N 409.486 5.335 0 40 HKAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CCCC[C@@H]2c2nc3ccccc3s2)cc1C 6541643 FIZPFMLFAHKMPA-RBUKOAKNSA-N 422.550 5.369 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](OC(=O)/C=C/c1cccs1)c1ccccc1 7141097 GJXJWTXXMOVFJP-JXVRESAISA-N 407.491 5.083 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 7687191 NXTJLJJXKZEOLI-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1CN1CCCCC1 7850062 HRCCPOHPZUACRD-UHFFFAOYSA-N 423.944 5.219 0 40 HKAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 8394263 VKXYWZARIQWOIP-OAQYLSRUSA-N 424.614 5.452 0 40 HKAB CCOc1ccc(N2C(=O)c3[nH]nc(-c4cccs4)c3[C@@H]2c2cccc(F)c2)cc1 8590757 UAJABHSREIUHFZ-QFIPXVFZSA-N 419.481 5.426 0 40 HKAB aggregator Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2coc3ccc(C)cc23)cc1 8611937 FFXIVATZQCPHAA-UHFFFAOYSA-N 423.468 6.208 0 40 HKAB Cc1[nH]nc(-c2ccc(OCc3ccc(F)cc3)cc2O)c1-c1ccc(Cl)cc1 8994763 GBKQHVHXDPBMGW-UHFFFAOYSA-N 408.860 6.129 0 40 HKAB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(Br)c(OC)cc12 9943143 FIHQQZAUAXIDCG-UHFFFAOYSA-N 402.288 5.195 0 40 HKAB Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(F)c(Cl)c3)c(Cl)c12 10220411 SRVNRXNGZGQPGL-UHFFFAOYSA-N 415.255 5.427 0 40 HKAB Cc1ccc(OCCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c(C)c1 11667383 QHSJFEZKJRZEAG-LJQANCHMSA-N 417.509 5.206 0 40 HKAB CCOc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3ccc(F)cc3)C[C@H]21 12196096 HLJZQDKEDAJTRD-ZJSXRUAMSA-N 422.887 6.120 0 40 HKAB C[C@H](CCN1CCC([C@H](NC(=O)C(C)(C)C)c2nccs2)CC1)c1ccccc1 12365695 KZCMAQIGRNAGQX-NQIIRXRSSA-N 413.631 5.252 0 40 HKAB COc1ccc([C@H]2OC(c3ccc(Cl)cc3)=Nc3cc4c(cc32)OCCO4)cc1 12854841 WKLBVAVBSPQHFB-JOCHJYFZSA-N 407.853 5.318 0 40 HKAB COc1ccc(-c2nn(CN(C)Cc3ccc(Cl)cc3)c(=S)n2C(C)C)cc1 13073774 IFNPFJZEORVIBB-UHFFFAOYSA-N 416.978 5.413 0 40 HKAB Clc1ccc(-c2cc(-c3nnc(SC[C@H]4CCCO4)o3)c3ccccc3n2)cc1 13115675 FBKATSZWGNGANM-MRXNPFEDSA-N 423.925 5.876 0 40 HKAB CCCCOc1ccc(C(=O)N(Cc2nc(-c3ccccc3)no2)C(C)(C)C)cc1 13483818 XFYDTGAIJUJPRN-UHFFFAOYSA-N 407.514 5.356 0 40 HKAB O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCC[C@H]2CCCC[C@H]21 14181024 HPLWIVHROGPNPO-TZIWHRDSSA-N 410.583 5.047 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(C)c1Cl 14396763 ZZQJQKZPRRVFGY-LLVKDONJSA-N 406.231 6.035 0 40 HKAB COc1ccc(-c2ccc(CCC(=O)Nc3cccc(Br)c3)o2)cc1 15867369 AZTBDEXQTYFFQU-UHFFFAOYSA-N 400.272 5.289 0 40 HKAB CCCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nc2ccccc21 15979645 ZPCUVYLIBLPSRU-UHFFFAOYSA-N 413.631 6.032 0 40 HKAB CC(=O)C[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 16757731 IWZLZSIPBRRFCQ-SFHVURJKSA-N 401.535 5.856 0 40 HKAB CCOc1ccc([C@H](C)NC(=S)Nc2cccc(Br)c2)cc1OCC 16943756 IYRGODWFXMEZHH-ZDUSSCGKSA-N 423.376 5.294 0 40 HKAB Cc1ncsc1-c1nnc([C@@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)o1 19562752 ZGAVAUMTAYCMGW-CYBMUJFWSA-N 409.342 5.188 0 40 HKAB CCCCOP(=O)(OCCCC)[C@@H](NCc1ccccc1)c1ccc(OC)cc1 20102838 PWXSVOMTJRHYKW-HSZRJFAPSA-N 419.502 6.310 0 40 HKAB O=C(Nc1nccs1)c1cc2cc(Cl)ccc2o/c1=N\c1cccc(Cl)c1 20616520 MFPQUKKCWQGKRY-NKFKGCMQSA-N 416.289 5.681 0 40 HKAB Cc1nc(Sc2nnc(-c3ccccc3C)o2)c2c(-c3cccs3)csc2n1 20667749 YGSGQXOCJQVOPR-UHFFFAOYSA-N 422.560 6.238 0 40 HKAB CCOc1ccc(C(=O)[C@H](C)N(C2=NCCCCC2)c2ccc(OCC)cc2)cc1 27526914 HAXKSTZWDJSHDO-IBGZPJMESA-N 408.542 5.534 0 40 HKAB Cc1ccc(Sc2ccc(CN(C(=O)c3cccs3)c3ccc(C)cc3)o2)cc1 32593319 DITQSDSOMZQIEP-UHFFFAOYSA-N 419.571 6.956 0 40 HKAB Clc1ccc(-c2nc(CN(Cc3cccs3)Cc3cccs3)no2)cc1 40066921 YGORZHNXDFAOQC-UHFFFAOYSA-N 401.944 5.715 0 40 HKAB O=C(CN1CCC[C@@H]1c1ccsc1)N(CC(F)(F)F)c1ccc(Cl)cc1 48326562 WTZNXJPQQKZZAK-MRXNPFEDSA-N 402.869 5.134 0 40 HKAB CC1CCN(c2ccc(NC(=O)CN[C@H](c3ccccc3)c3cccs3)cc2)CC1 57270647 BLKJYDDRJBPCBA-RUZDIDTESA-N 419.594 5.302 0 40 HKAB CCc1ccc(C(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)cc1 72228583 SKUSWZHQDUGLNX-UHFFFAOYSA-N 404.539 5.530 0 40 HKAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)c3cccc4cccnc34)C2)n1 72353969 RLMNMQBTAOVRQB-DEOSSOPVSA-N 421.544 5.549 0 40 HKAB c1ccc(Oc2ccc(Cc3nn4c(-c5cc6ccccc6o5)nnc4s3)cc2)cc1 96193844 QDQHRIJQHAGNKX-UHFFFAOYSA-N 424.485 5.982 0 40 HKAB CCN(CC)C(=O)[C@@H](OC(=O)/C=C\c1ccc(Cl)c(Cl)c1)c1ccccc1 96887813 HEPHXUBUMAYNDS-ZQGDAAQZSA-N 406.309 5.160 0 40 HKAB S=C(Nc1cccc2ccccc12)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 100762282 JYFNVKBMCUQIFK-OVSMBABESA-N 417.622 5.432 0 40 HKAB biogenic COc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)ccc1OCCC(C)C 102896410 UOONILPCCKSTQX-NRFANRHFSA-N 410.518 5.019 0 40 HKAB Brc1ccc(NCc2c(OCc3ccccc3)ccc3ccccc23)cc1 107040647 BRWDOYRTRQWIBL-UHFFFAOYSA-N 418.334 6.793 0 40 HKAB CC(C)N(Cc1nc2ccccc2[nH]1)C(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 222554701 ZESPUURNYDIDBU-UHFFFAOYSA-N 409.921 5.198 0 40 HKAB CCc1ccccc1NC(=O)c1ccc(OC)c(COc2ccc3ccccc3c2)c1 224311762 INVQNULTLCEUQS-UHFFFAOYSA-N 411.501 6.242 0 40 HKAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1cc(C)cc(C)c1 224529694 AAFOZTBUHMTHII-UHFFFAOYSA-N 423.940 5.865 0 40 HKAB CC(C)C[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 225493102 XLHOUIMTFLJAIH-KRWDZBQOSA-N 400.897 6.433 0 40 HKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 225696011 NHONHQRSHOLUBL-UHFFFAOYSA-N 418.622 5.357 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cnn(Cc2ccccc2)c1 225890063 LEDUQVAGVJKSTC-UHFFFAOYSA-N 415.880 5.068 0 40 HKAB FC(F)(F)c1nnc2sc(-c3ccc(OCc4ccc(Cl)cc4)cc3)nn12 226298602 SJDYFINJTBHCPJ-UHFFFAOYSA-N 410.808 5.104 0 40 HKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260814496 JQOISLWDRAJYCC-OAQYLSRUSA-N 418.622 5.356 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)cc2)c1 408638160 BMGWFLAFUORADO-QGZVFWFLSA-N 420.896 5.432 0 40 HKAB COc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3)n2)cc1 408693562 AARDZFZYENXQFZ-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)c1 409114936 FHBLIRSVBJCXLW-DHYWSWINSA-N 422.572 6.852 0 40 HKAB Cc1nc2cc(C(=O)N(Cc3ccccc3)Cc3ccc(C(=O)O)cc3)ccc2s1 585091773 LXGYFNGJFVCQQN-UHFFFAOYSA-N 416.502 5.146 0 40 HKAB OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccccc2)CC1 1101445 IYHKOPBJKTUNSD-UHFFFAOYSA-N 402.563 5.032 0 40 HKAB CC1(C)[C@]2(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)CC[C@@]1(C)C(=O)C2 1156745 ZRPNMVLCUYXIQU-BJKOFHAPSA-N 409.913 5.295 0 40 HKAB Brc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 1778619 XFTUDEYATQLWOU-UHFFFAOYSA-N 406.283 5.715 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccc3ccccc23)sc(C)c1-c1ccccc1 1927623 AEHICHRYVXZBQV-UHFFFAOYSA-N 415.514 6.306 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccccc2Nc2ccccc2)sc2c1CCCC2 2063563 OAVXBNMHLZUCAD-UHFFFAOYSA-N 420.534 5.800 0 40 HKAB CCCOC(=O)c1c(NC(=O)COc2ccccc2Cl)sc2c1CC[C@@H](C)C2 2084385 FVQNPDDQLNMPMR-CYBMUJFWSA-N 421.946 5.111 0 40 HKAB CC(C)CCOC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 2247612 NPNOFOACLREVBJ-UHFFFAOYSA-N 422.916 5.071 0 40 HKAB CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1 2260881 LJVLRZWQCUSANA-VWLOTQADSA-N 407.916 6.614 0 40 HKAB CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCCCCC2)sc(C)c1C 2303015 IMZXKKZOUSTUGD-UHFFFAOYSA-N 424.570 5.609 0 40 HKAB COc1cc2c(cc1NC(=O)/C=C/c1ccc(-c3ccccc3)cc1)oc1ccccc12 2328857 KGMGZDZOEKEXNP-DTQAZKPQSA-N 419.480 6.914 0 40 HKAB Cc1ccc(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)c(Cl)c1 3318684 XXTKQFMPFBLDNL-UHFFFAOYSA-N 412.269 5.451 0 40 HKAB Cc1ccc(NC(=O)[C@@H](N[C@@H]2CCCc3ccccc32)c2ccccc2)cc1Cl 3327124 DDMRUARTFYRGKW-RPWUZVMVSA-N 404.941 5.995 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C(C(=O)c1ccccc1)C(=O)c1ccccc1 3846296 MEJYXHVXOXPRNY-BVYCBKJFSA-N 406.522 5.372 0 40 HKAB biogenic CC(C)(C)SCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4024368 QAUWKRBHRKSCQO-CIPHDHMHSA-N 418.643 5.350 0 40 HKAB biogenic Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)cc1C 4033307 XZEKGOAHXDNDIC-FQEVSTJZSA-N 413.496 5.361 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 4073887 HONOKMUVEQPOAM-MJCHTSOQSA-N 412.614 6.256 0 40 HKAB biogenic Cc1cccc(C(=O)Nc2nnc(SCc3ccc(C(F)(F)F)cc3)s2)c1 4078229 NQWASSSZVGDXHS-UHFFFAOYSA-N 409.458 5.410 0 40 HKAB O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1-c1nc2ccccc2[nH]1 4250513 AZUODZSRYVPQEF-UHFFFAOYSA-N 407.926 6.004 0 40 HKAB COc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)c1 4553952 UNSINFALXGNBKT-UHFFFAOYSA-N 402.881 6.125 0 40 HKAB CSc1ccc(CN2CCC[C@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 4745059 WPYCCSDWVUEJDE-DEOSSOPVSA-N 422.638 5.102 0 40 HKAB CC(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 4862910 HCDSGQYVRHRGLU-UKILVPOCSA-N 402.925 6.706 0 40 HKAB COc1ccccc1[C@@H](CC(=O)Nc1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 5025867 FFSMLSLDTOPPPI-QHCPKHFHSA-N 423.940 6.297 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2)o1 5100910 BBRYTIVGOYQKPL-GHTZIAJQSA-N 409.283 5.593 0 40 HKAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cc1 5210480 LITBSALWARUDHZ-KRWDZBQOSA-N 415.518 5.831 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 5309362 NSTPSBKBBWQFOV-UHFFFAOYSA-N 409.526 5.709 0 40 HKAB Nc1ncnc2c1sc1nc3c(c(-c4ccccc4)c12)CC/C3=C/c1ccccc1 5338293 PRGGHKCCQPFRJF-LGMDPLHJSA-N 406.514 5.976 0 40 HKAB CSc1nc(=S)c2sc3nc(CC(C)C)c4c(c3c2[nH]1)CC(C)(C)OC4 5789708 XQCXNPJQJCFHDX-UHFFFAOYSA-N 405.614 5.674 0 40 HKAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccccc1-c1ccccc1 6178613 CDJDMYBRFPHCBD-MRXNPFEDSA-N 400.507 5.258 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nc2ccccc2c(=O)[nH]1)c1ccccc1 6508474 LUHGFVXQMXKYRC-QFIPXVFZSA-N 411.486 5.121 0 40 HKAB Cc1cc2sc(NC(=O)c3ccc(OCc4ccccc4)cc3)nc2cc1Cl 6826374 WCUOQOZFPAWWFT-UHFFFAOYSA-N 408.910 6.089 0 40 HKAB c1csc(-c2nnc(SCc3nc4ccccc4s3)n2C[C@@H]2CCCO2)c1 6849742 RBJOWTJJUPYQNU-ZDUSSCGKSA-N 414.581 5.088 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1 7073089 PSOTUBSAMKOWEJ-GOSISDBHSA-N 414.509 5.260 0 40 HKAB Cc1cc(C(=O)CSc2nncs2)c(C)n1C(c1ccccc1)c1ccccc1 7194156 FDTGZZQUZZSOEN-UHFFFAOYSA-N 419.575 5.569 0 40 HKAB Cc1ccc(-c2csc3ncnc(S[C@H](C(=O)N(C)C)c4ccccc4)c23)cc1 7540179 UTIIWALILGXPRU-FQEVSTJZSA-N 419.575 5.588 0 40 HKAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 8041724 PXHDFWGPFYZDBU-JTSKRJEESA-N 420.484 5.113 0 40 HKAB Cc1occc1-c1nnc(SCc2c(F)cccc2Cl)n1Cc1ccccc1 8075590 PLLRFFQGLLGAMG-UHFFFAOYSA-N 413.905 5.980 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](N[C@@H](C)c1ccccc1Cl)c1ccccc1 8173468 POACSMSRDZOQLX-GAJHUEQPSA-N 408.929 5.769 0 40 HKAB CCOc1cc(CN[C@@H](C)CC)cc(Br)c1OCc1ccc(F)cc1 8326640 WJPPKHQZUWHDLM-AWEZNQCLSA-N 410.327 5.454 0 40 HKAB Cc1cc(C)cc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)c1 8335907 RDKVQKCFMMSEAU-UHFFFAOYSA-N 405.277 5.992 0 40 HKAB c1ccc(Cn2c(SCc3csc(-c4cccs4)n3)nnc2C2CC2)cc1 8346307 OICHSBYAKFALJY-UHFFFAOYSA-N 410.593 5.681 0 40 HKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1SC[C@@H]1CCCO1 8429537 HTASOQCZSSAMRO-KRWDZBQOSA-N 411.523 5.252 0 40 HKAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3C/C=C/c3ccccc3)CC2=O)c1 8657343 NFKNXSPEOXGMCU-MAIVGLDJSA-N 423.516 5.279 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccccc1Br 8749347 IUHRZOLEBMHIBB-JTQLQIEISA-N 400.725 5.230 0 40 HKAB O=C(COc1ccc2ccccc2c1)N1CCCC[C@H]1c1nc2ccccc2s1 9533982 SAIIYAWTSDRSAN-NRFANRHFSA-N 402.519 5.582 0 40 HKAB C[C@H](NC(=O)c1ccccc1CSc1ncn[nH]1)c1ccc(-c2ccccc2)cc1 9575831 UHVYOZUNQLHIRR-KRWDZBQOSA-N 414.534 5.255 0 40 HKAB COC(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 10454295 CFUHXBOHHHNUOO-UHFFFAOYSA-N 402.475 5.311 0 40 HKAB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)[C@H](C)Oc3ccccc3)n2)cc1 11027397 LJSZKWZWCMOCAC-KRWDZBQOSA-N 418.522 5.019 0 40 HKAB O=C1C[C@@H](c2ccc(Cl)cc2)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 12374683 YVLAODPHHLDUHW-AWEZNQCLSA-N 401.846 5.380 0 40 HKAB CCc1ccc(NC(=O)COc2ccccc2C(=O)Nc2c(C)cc(C)cc2C)cc1 12413368 FIZNUUFGNDMUAX-UHFFFAOYSA-N 416.521 5.444 0 40 HKAB Cc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2ccc(C)c(Cl)c2)cc1 12437372 XVGXYRHWNJVQDC-BZZOAKBMSA-N 423.921 5.768 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)C1(c2ccccc2F)CCCC1 12599800 UIFKZIBMYSLLNC-OPYAIIAOSA-N 404.522 5.185 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](N[C@@H](C)c1ccc2ccccc2c1)c1ccccc1 12932727 CBSQTUYDDBIKQY-DCFHFQCYSA-N 424.544 6.187 0 40 HKAB Cc1ccc(Sc2ccc(NC(=O)CN[C@@H](C)c3cccc(Cl)c3)cc2)cc1C 13040174 QVLHSTUGGYGSHJ-SFHVURJKSA-N 424.997 6.397 0 40 HKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cccc(Br)c3)c2c1 13590753 RATYGUOKHSFBGE-UHFFFAOYSA-N 417.306 6.225 0 40 HKAB CC(=O)Oc1cccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 13896542 AUDIHAJWOHMSHU-UHFFFAOYSA-N 406.825 5.326 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 14824699 LNVSEBGYUIWALC-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB COc1ccccc1C1CCN(CC(=O)N(c2ccccc2)C2CCCCC2)CC1 15022477 AAINJIVOPCWXKF-UHFFFAOYSA-N 406.570 5.241 0 40 HKAB Cc1ccc(Nc2nc(NCCCOC(C)C)nc3c2cnn3-c2ccccc2)cc1 17042480 KMWICTAHHZNLII-UHFFFAOYSA-N 416.529 5.095 0 40 HKAB Cc1cccc(-c2nc3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)c1 17089399 DEWNSFUCVPWFMN-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB Fc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3nc(-c4ccccc4)cs3)n2)cc1 17090273 PAJWEUMTPMNXKU-UHFFFAOYSA-N 415.468 6.608 0 40 HKAB COc1ccccc1-c1cc(-c2ccccc2OC)n(Cn2nc(C)c(Cl)c2C)n1 17093353 XYWOAFUGLPEEMT-UHFFFAOYSA-N 422.916 5.207 0 40 HKAB COc1cccc([C@@H](Nc2nc(-c3ccccc3)nc3ccccc23)c2nccn2C)c1 17591157 VEJHQXKFWDIMLH-HSZRJFAPSA-N 421.504 5.240 0 40 HKAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 17823375 QQXTUGLQDQMZMQ-QHCPKHFHSA-N 412.533 5.086 0 40 HKAB COCc1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1-c1ccc(OC)cc1 17945244 JTQMCNOWORYRNU-UHFFFAOYSA-N 413.399 5.237 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 20455540 NWXYEDAQDGIMMU-NRFANRHFSA-N 404.510 5.164 0 40 HKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(C)c(Cl)c4)c3)oc2cc1C 21578495 CQGIYQAMOKMDPA-UHFFFAOYSA-N 404.897 6.634 0 40 HKAB Cc1cc(C)c2nc(-n3nc(C)cc3NC(=O)c3ccc4ccccc4c3)sc2c1 21686534 SQVCCXHDOUSATQ-UHFFFAOYSA-N 412.518 5.813 0 40 HKAB Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3cccc(Cl)c3)n2)cc1 32578814 XZCBKLDVSFSPMH-UHFFFAOYSA-N 419.868 5.530 0 40 HKAB O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1CNc1cccc(C(F)(F)F)c1 33348756 YGPQHJNGRXLHOE-BJXWFGTRSA-N 404.413 5.368 0 40 HKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 33737512 USQIABUCFGXDGN-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 33775956 UBDSNFVJQGZVSV-UHFFFAOYSA-N 422.956 6.149 0 40 HKAB CCOc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(Cl)cc3)C2=O)cc1 34378539 FJZRBLUXZQHYPT-XQNSMLJCSA-N 416.908 5.882 0 40 HKAB CCOc1ccc([C@H](COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1 39163350 ZLAFALWCDWDCIC-QHCPKHFHSA-N 416.439 6.740 0 40 HKAB Cc1cccc(NC(=O)c2nnc3c(-c4cccc(Cl)c4)c(C(C)C)nn3c2C)c1 40385084 PWWOKHWRXCCPNN-UHFFFAOYSA-N 419.916 5.437 0 40 HKAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1C 44900165 GIGHBNXXHGQCRC-XMMPIXPASA-N 421.562 6.092 0 40 HKAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2cnn(Cc3ccccc3)c2)cc1 57270852 UYLSUYNEORYNLZ-AREMUKBSSA-N 424.548 5.052 0 40 HKAB COc1ccc(-c2csc3ncnc(NC[C@@H](c4cccs4)N(C)C)c23)cc1 57366530 BRJDVGUKTAVXQW-KRWDZBQOSA-N 410.568 5.143 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)c(Br)c1 59210984 HHIQWDOARIVKNZ-UHFFFAOYSA-N 410.739 5.095 0 40 HKAB COc1cc(-c2nn(CNc3ccc(C(C)C)cc3)c(=S)o2)cc(OC)c1OC 59488491 PSJHPJYBJXQUQD-UHFFFAOYSA-N 415.515 5.091 0 40 HKAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1Cl 67294610 OGNRZXSPNTVPGQ-VYIQYICTSA-N 423.299 6.533 0 40 HKAB Cc1cccc(Cc2cnc(NC(=O)/C=C/c3cc4cc(Cl)ccc4o3)s2)c1 67340024 BXJZNJPACBOCML-SOFGYWHQSA-N 408.910 6.094 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(Nc3ccccc3)nc2)cc1 72214117 OKLPGLGFKLXZRD-QFIPXVFZSA-N 407.539 5.050 0 40 HKAB CC[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1C1CCN(C(=O)[C@@H](C)CC)CC1 72307948 CTTXJRODFRSDDH-GJZGRUSLSA-N 412.496 5.442 0 40 HKAB CCOc1ccccc1OC1CCN([C@@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)CC1 79102166 NTSJFNCWRACLEY-IBGZPJMESA-N 421.541 5.357 0 40 HKAB CC(C)CC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 96334314 RZPAXNJLEKLXNO-KHMHTMAGSA-N 402.663 6.360 0 40 HKAB Cc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)c1 100187046 MNRJSTJHKFIQKZ-YWUUFRFPSA-N 417.508 5.419 0 40 HKAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@@H](C)[C@H]4[C@H]5C[C@H]6C[C@@H]5CC[C@@H]4C6)[C@H]3C=C12 100746558 QYESPJZMQFTGIX-PDEKZKKZSA-N 411.630 5.351 0 40 HKAB CCc1ccc(C2=C[C@@H](c3c(F)cccc3Cl)n3c(nc4ccccc43)N2)cc1 101642225 OUZHDVSWCTVUDX-QFIPXVFZSA-N 403.888 6.447 0 40 HKAB aggregator CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 106683353 PTUWDCOLQHCRED-YQNUULROSA-N 401.915 5.754 0 40 HKAB C/C=C1\C(=O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCC(=O)O)[C@@]2(C)CC[C@@H](O)C[C@@H]12 139235222 RDCBMNFSJFALPG-IVDGZAPRSA-N 416.602 5.242 0 40 HKAB in-vitro O=C(NCCC1=CCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 142552099 WDRSBPIBEPSTSZ-VWLOTQADSA-N 420.578 5.081 0 40 HKAB O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1cccc2ccccc12 214844124 WTGRYWDCXDESEI-YBFXNURJSA-N 414.313 6.383 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 222942983 COKCXHHHATUZSB-DEOSSOPVSA-N 424.585 5.253 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1C(C)C 223348587 USNNYRORXMJVDO-HXUWFJFHSA-N 408.586 5.216 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1Cc1ccco1 223365804 VHPIAQQWHCGWDR-VXKWHMMOSA-N 406.555 5.154 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1Cc1ccccc1 223393926 WYOYRGLLIUKOBD-RPWUZVMVSA-N 410.546 5.045 0 40 HKAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccc(Cl)c(C)c1 224205697 DUOCPCDPTIVRGN-UHFFFAOYSA-N 417.839 5.767 0 40 HKAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1cc(C)cc(C)c1C 224278100 QPLIIAGPGVHRBJ-UHFFFAOYSA-N 411.448 5.730 0 40 HKAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C 224297202 BUTJJGBKTLWMAP-DHIUTWEWSA-N 404.583 5.314 0 40 HKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C1CC1 224392770 LWIJZNXMTFGJSD-FCHUYYIVSA-N 406.530 5.151 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccc(C)cc1 224472821 XBMZZCWJQVHMQR-UHFFFAOYSA-N 418.493 5.183 0 40 HKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1nnc(SCc2ccccc2)s1 225174359 DVKJLRJPVZFZJC-QGZVFWFLSA-N 413.568 5.243 0 40 HKAB CC(C)C[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 225493076 XLHOUIMTFLJAIH-QGZVFWFLSA-N 400.897 6.433 0 40 HKAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225739501 ORCVTPWNOUSAOK-XMMPIXPASA-N 404.595 5.255 0 40 HKAB C[C@@H](NC(=O)c1snnc1-c1ccc(Br)cc1)c1ccc(Cl)cc1 225786461 UBNIUSMJRPYKDM-SNVBAGLBSA-N 422.735 5.112 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c2cccnc12 225868004 UKJMAGAZLMMXCV-UHFFFAOYSA-N 406.501 6.002 0 40 HKAB CC(=O)[C@H](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(c1ccccc1)c1ccccc1 245240317 PBSTWIYTCPQRBP-KXMWUTRISA-N 406.566 6.028 0 40 HKAB COc1cccc([C@@H]2OC(C)(C)[C@@H]3C[C@H](O)[C@@H](C)[C@@H]2C3)c1OCc1cccc(F)c1 257250816 JOCXZUCRBVRZMC-WIWWWTDJSA-N 414.517 5.286 0 40 HKAB O=C(O)c1cccc(NCc2ccc(OCc3ccccc3)c(Br)c2)c1 408613453 UJVYMYHFWQWUID-UHFFFAOYSA-N 412.283 5.338 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2cc(Cl)ccc2Cl)o1 408624284 VJCZBYWMZCAXHN-UHFFFAOYSA-N 401.076 6.813 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)cc1C 408695014 OAGALDAMDMSPJR-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB COc1ccc(-c2sc(NC(=O)c3ccc(Cl)cc3)nc2-c2ccccc2)cc1 408824124 PNQJTLLWMIDMLN-UHFFFAOYSA-N 420.921 6.391 0 40 HKAB CCCc1sc2nc(SCc3cccc(F)c3)n(-c3ccccc3)c(=O)c2c1C 409120686 VRAZWQZKTNAAKW-UHFFFAOYSA-N 424.566 6.140 0 40 HKAB Cc1ccc(CSCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 409130669 UCQWSHDVETUGHK-IBGZPJMESA-N 418.562 5.358 0 40 HKAB Cc1cccc(CSCCNC(=O)CSCc2c(Cl)cccc2Cl)c1 409177908 DKBJWKZQJCYQFK-UHFFFAOYSA-N 414.423 5.585 0 40 HKAB CC(C)=CCC[C@@]1(C)Oc2c(-c3ccc(C(=O)O)cc3)cccc2[C@@H]2OCCC[C@H]21 585265731 NEFHUKIDRYLQAC-KTIWRFAQSA-N 406.522 6.417 0 40 HKAB CC(C)CCN1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)C1[C@@H]3CCCC[C@@H]13)C2 643567846 ZNWUKDDKALVNHQ-UEQSERJNSA-N 423.645 5.146 0 40 HKAB COc1ccc(-c2cccc(C(=O)Nc3nc4cc(OC)ccc4s3)c2C)cc1 643586813 DNQFDKHPCJIDFQ-UHFFFAOYSA-N 404.491 5.541 0 40 HKAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 2037845902 HDQYHKVJMHMOER-QGZVFWFLSA-N 421.447 5.045 0 40 HKAB COC(=O)c1c(NC(=O)COc2ccc(C(C)C)c(C)c2)sc2c1CC[C@H](C)C2 726285 HFAYACXLNIOWOB-AWEZNQCLSA-N 415.555 5.109 0 40 HKAB Cc1cccc2cc(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCC3)c(=O)[nH]c12 1224333 YBSSPXHWYYVTMY-SFHVURJKSA-N 419.594 5.217 0 40 HKAB CCc1ccccc1N(C1=NCCCS1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 1327901 AWBLBCXNGDUMSX-UHFFFAOYSA-N 416.612 5.235 0 40 HKAB Cc1ccc(-c2nc(SCC(=O)NCCC3=CCCCC3)c3ccccc3n2)cc1 1367614 JXBIEXKCFRWXBI-UHFFFAOYSA-N 417.578 5.704 0 40 HKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCCCc2ccccc2)c(C(C)C)c1 2187705 BSTXATUNGKPZGA-UHFFFAOYSA-N 415.643 6.358 0 40 HKAB biogenic CC(C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1)(c1ccccc1)c1ccccc1 2332377 SADXZGYGPXCHIU-UHFFFAOYSA-N 419.484 5.835 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](Nc1ccccc1)c1ccccc1 3347721 QPCXHHBJEGJMIL-LJQANCHMSA-N 404.819 6.151 0 40 HKAB Cc1nnc(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1-c1ccccc1 3386297 VUYPTSWRVPSUNF-OAQYLSRUSA-N 418.497 5.187 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1cccc(Cl)c1)c1ccccc1 3455561 XVYMEIOFFRPDMQ-NRFANRHFSA-N 409.869 5.276 0 40 HKAB CCCCO[C@H]1C[C@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)N(C)O1 4002186 RPCZNVKVMRSVEY-DENIHFKCSA-N 405.922 5.379 0 40 HKAB CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 4081881 JZVFJDZBLUFKCA-GMFPHBAYSA-N 412.702 7.801 0 40 HKAB Cc1ccccc1N1C(=O)c2ccc(C(=O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)cc2C1=O 4175014 QCLDUUXNUVDQEN-XKDCRVNJSA-N 419.521 5.413 0 40 HKAB CCc1cccc(C)c1NC(=O)[C@H](c1cccc(Oc2ccccc2)c1)N1CCC1=O 4672493 JVJGSFGMYCYXBN-VWLOTQADSA-N 414.505 5.262 0 40 HKAB CCOc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3cccnc3)C[C@H]21 4715652 KTOYHMFQSXAHEV-OFNKIYASSA-N 407.420 5.001 0 40 HKAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(C)c2)n2c(nc3ccccc32)N1 4787253 DQOXWKJIVPUEQV-HSZRJFAPSA-N 401.510 5.510 0 40 HKAB Cc1cc(C)c(NC(=O)CSc2nnc(NCc3ccccc3)s2)c(Cl)c1 4997271 UWZWMWGTWOPOFU-UHFFFAOYSA-N 418.975 5.151 0 40 HKAB COc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(Cl)cc3s2)cc1 5265173 CGRLWKOWLIZFEV-UHFFFAOYSA-N 409.898 5.200 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 5465950 REBWVVQCYLXGDZ-UHFFFAOYSA-N 401.506 5.804 0 40 HKAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/c2nc3ccccc3s2)cc1 5505918 VNWUGULQOSZQEF-DTQAZKPQSA-N 409.514 6.328 0 40 HKAB Cc1ccc(C(=O)C[C@@H](Sc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 5928423 FSVCJRUFQZJXNU-JOCHJYFZSA-N 401.358 7.408 0 40 HKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(F)c4)cc3n2)cc1 6264765 WPBAUPGHAGVALB-UHFFFAOYSA-N 402.473 5.463 0 40 HKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC1C2CC3CC(C2)CC1C3 6322508 PLNFDURPKPPHBD-DUXPYHPUSA-N 416.348 6.208 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2C(C)C)c1 6819946 XAZJDDSBJVAXJH-UHFFFAOYSA-N 421.522 5.071 0 40 HKAB Cc1ccc(Sc2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)cc1C 6982032 SPVRQUKVPFWWOV-UHFFFAOYSA-N 411.548 5.110 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](Sc1nc2cc(C)ccc2[nH]1)c1ccccc1 7141285 GDXXIPLAQZMYET-QFIPXVFZSA-N 417.534 5.742 0 40 HKAB CCOC(=O)Cc1ccc(-n2c(C)cc(/C=C/C(=O)c3ccc(OC)cc3)c2C)cc1 7375800 XLSQUSTYSCBEGH-XNTDXEJSSA-N 417.505 5.104 0 40 HKAB O=C(CSc1nc2ccccc2s1)N[C@@H](c1ccc(F)cc1)c1cccs1 7883999 DSUGOKLPVOORDR-IBGZPJMESA-N 414.552 5.495 0 40 HKAB Cc1nc2ccccc2n1CCNC(=O)c1ccccc1SCc1ccsc1 9378143 JVPYFMWUTKAXCL-UHFFFAOYSA-N 407.564 5.129 0 40 HKAB S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccc(Cl)cc2)CC1 9481849 LDGCDQWTOPVZMF-UHFFFAOYSA-N 423.969 5.651 0 40 HKAB Cn1c(-c2ccc(Br)cc2)cnc1NCc1cccc(Br)c1 9849628 CVSWYAYEWLONBQ-UHFFFAOYSA-N 421.136 5.224 0 40 HKAB Cc1ccc(-n2ncc3c(Nc4cccc(C(F)(F)F)c4)ncnc32)cc1Cl 10253712 MMAJTOLZNHUITC-UHFFFAOYSA-N 403.795 5.540 0 40 HKAB COc1ccc(C(C)(C)C)cc1NC(=O)CCC(=O)c1ccc(Br)cc1 13006099 PVZDMVGIBPUDJE-UHFFFAOYSA-N 418.331 5.357 0 40 HKAB C[C@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2n1Cc1ccccc1F 13532508 JENDHFPFRKULEN-HNNXBMFYSA-N 407.876 5.368 0 40 HKAB O=c1c([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)coc2ccc(F)cc12 13550644 GZIHAWSJLXDPJM-OFVILXPXSA-N 412.420 5.174 0 40 HKAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccc1Cl 14068056 YZELRACVZDCMCH-UHFFFAOYSA-N 407.326 5.003 0 40 HKAB COc1ccc(NC(=O)CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)cc1Cl 14814242 WMQJACZXTBPEAH-HSZRJFAPSA-N 412.892 5.148 0 40 HKAB CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)Oc1cccc2ccccc12 16577172 LCWOCTSWSRGYOZ-BBRMVZONSA-N 424.132 5.649 0 40 HKAB COc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OCc1ccc(F)cc1 19120549 WSENRBAUAAOCAI-NZQKXSOJSA-N 424.516 5.211 0 40 HKAB C[C@@H]1[C@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 20388438 AWHYQLPXMIHKLX-NBQKENEESA-N 420.336 5.695 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)N1CCCCC1 20490208 URIIQTNXPFSUTB-QHCPKHFHSA-N 416.521 5.262 0 40 HKAB COc1ccc2nc(Nc3nc(-c4cccs4)cc(C(F)(F)F)n3)nc(C)c2c1 20798207 SQDKPAXMVJNFKN-UHFFFAOYSA-N 417.416 5.228 0 40 HKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCc1ccco1 23957011 MGVKNTUAEMGVEW-UHFFFAOYSA-N 420.900 5.127 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1 30757021 XQHADPFDBWPXGT-OAHLLOKOSA-N 420.347 5.227 0 40 HKAB CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n([C@H](C)CC)c3n2)cc1 36617089 BZVQPPFSRGDYNV-LLVKDONJSA-N 407.461 5.673 0 40 HKAB Fc1ccccc1CSc1nccn2nc(-c3ccc(Br)cc3)cc12 38486451 OQMQHEQCLGWMHQ-UHFFFAOYSA-N 414.303 5.590 0 40 HKAB Cc1cc(C)nc(Nc2nc(-c3ccc(Br)cc3)cn2-c2ccccc2)c1 40385420 PHHSRQYLAXNHOO-UHFFFAOYSA-N 419.326 6.057 0 40 HKAB O=C(Nc1ccccc1F)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078873 AZFWKVHLIRVWGW-UHFFFAOYSA-N 408.860 5.324 0 40 HKAB Cc1cccc(CN(Cc2ccco2)C(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)c1 48272817 XTIJSMAIPDEUFO-MBSDFSHPSA-N 402.494 5.025 0 40 HKAB CSC(SC)=C1CCC[C@@H]2C1=NN(C(=O)c1ccccc1)[C@@H]2c1ccccc1 51329758 IISJHRJUPUHURQ-WIYYLYMNSA-N 408.592 5.977 0 40 HKAB O=c1c2sccc2nc(SCc2ccc(F)cc2F)n1Cc1ccccc1F 67259924 YKRDAGHZHJISSJ-UHFFFAOYSA-N 418.465 5.216 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)c(C)c2)c(C)c1 67297289 MIZCWXDWDROJFC-RFBIWTDZSA-N 400.453 5.982 0 40 HKAB Cc1cc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)nc(C(C)C)n1 78404476 UQKHUCVDQWOULL-UHFFFAOYSA-N 423.826 5.019 0 40 HKAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)C=C[C@@H](c4ccccc4)[C@H]3C2=O)cc1 101115119 QVHCBIHNSPQTPJ-XDZVQPMWSA-N 423.512 5.328 0 40 HKAB CC1(C)C[C@H]2C[C@@](C)(CN2c2cnn(Cc3ccc(Cl)cc3)c(=O)c2Cl)C1 101915196 GPSXEZAKALGJBX-HRAATJIYSA-N 406.357 5.003 0 40 HKAB COc1ccccc1[C@H]1N=C(Nc2nc3ccccc3o2)N=C2CC(C)(C)CC(O)=C21 102679697 HPGLJDSIXQMBOJ-OAQYLSRUSA-N 416.481 5.432 0 40 HKAB COc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 106982608 CWZMLUSLJJSRCW-UHFFFAOYSA-N 416.348 6.810 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1C1CCCCC1 223106281 DYFHKGPZHBQMHA-XZOQPEGZSA-N 402.567 5.178 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C(C)C 223318178 TXAJYXQCBSMUPB-RTBURBONSA-N 411.586 6.069 0 40 HKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223344146 WNZNAAWTSOESBQ-KKSFZXQISA-N 403.950 5.815 0 40 HKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 223394246 XDJHIOMKOJRSMH-RPBOFIJWSA-N 424.573 5.353 0 40 HKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224174863 GYYDGUYDAUDQOA-ZEQRLZLVSA-N 410.546 5.358 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1C 224263614 YBQGUVZAPJDATD-BJKOFHAPSA-N 416.594 5.792 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1cccc(OC)c1 224586845 VPGLFSHTTWZECT-UHFFFAOYSA-N 419.521 6.049 0 40 HKAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccccc3C(F)(F)F)o2)cc1 224858462 DHPQZANRGCKCKE-UHFFFAOYSA-N 404.388 5.330 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)NCc1ccco1 225350247 UCQAMEOPUBTPFL-UHFFFAOYSA-N 417.292 5.088 0 40 HKAB COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ccccc34)CCCC2)cc1 225754997 BELVGSULIMJFFI-UHFFFAOYSA-N 403.522 6.086 0 40 HKAB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccc(OCc2ccccc2)cc1 225800086 BHOSZOVSEFOWQL-UHFFFAOYSA-N 417.440 5.026 0 40 HKAB Cc1ccc(COc2c(Cl)cc(CNc3ccc(F)c(Cl)c3)cc2Cl)cc1 408613147 XRAMMLDJYILSNT-UHFFFAOYSA-N 424.730 7.285 0 40 HKAB CC(C)c1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 408625564 YOASPJJCJIBNAY-UHFFFAOYSA-N 404.535 5.516 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccc(C)cc2C)c1 408694556 KGBVGUIVFDITHM-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB CC(C)N1C(=O)S/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O 409018508 MLPOOTSPWWCJDJ-RGVLZGJSSA-N 410.926 5.788 0 40 HKAB O=C(Nc1cccc(F)c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409174388 RURSYWKDLUPLCQ-IFYYMMSRSA-N 412.508 6.375 0 40 HKAB CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3cccc(C)c3C)sc2c1 624769 NWVDRXAPZBKEGX-UHFFFAOYSA-N 413.568 5.383 0 40 HKAB Cc1cc(OCc2nnc(SCC(=O)c3ccc(Cl)cc3)o2)ccc1Cl 876085 RSNGSAHBCBNZEZ-UHFFFAOYSA-N 409.294 5.239 0 40 HKAB COc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)ccc1OCc1ccccc1 885453 CYNFTKDCJLIHFL-JOCHJYFZSA-N 409.485 5.902 0 40 HKAB FC(F)(F)c1cnc(-c2cnc(SCc3ccc(Cl)cc3)nc2)c(Cl)c1 1388204 ZBZZLDANSFVLGM-UHFFFAOYSA-N 416.255 6.157 0 40 HKAB COc1ccccc1-c1c(C(F)(F)F)oc2cc(OCC=C(C)C)ccc2c1=O 1447991 DXTUPLFOVYIRNA-UHFFFAOYSA-N 404.384 5.832 0 40 HKAB biogenic c1ccc(CNc2nnc(NCc3ccccc3)c3c2ncn3Cc2ccccc2)cc1 1571313 HJISZQDVVRVOMP-UHFFFAOYSA-N 420.520 5.099 0 40 HKAB c1ccc(-c2nnc3nn4c(-c5ccccc5)cnnc4c3c2-c2ccccc2)cc1 1582785 KJPUGCZAQOOLMU-UHFFFAOYSA-N 400.445 5.069 0 40 HKAB COc1ccc([C@@H](OC(=O)C(c2ccccc2)c2ccccc2)[C@@H](C)N(C)C)cc1 1758877 DZUUHEOUVSUUCX-CLOONOSVSA-N 403.522 5.062 0 40 HKAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(C)c2ccccc12 2050688 ZTLNGBRGYVAXJW-UHFFFAOYSA-N 408.526 6.986 0 40 HKAB CC(=O)c1sc2nc3c(c(-c4ccc5c(c4)OCO5)c2c1N)Cc1ccccc1-3 2229354 UZPVOQUSAPTTBJ-UHFFFAOYSA-N 400.459 5.048 0 40 HKAB O=C(N[C@H](C(=O)O)c1ccc(Cl)cc1)OCC1c2ccccc2-c2ccccc21 2509836 QHPCQNPEZKEZGX-NRFANRHFSA-N 407.853 5.004 0 40 HKAB CC[C@@H](C)Sc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(F)cc1 2721692 HSBGFSMDBKKLQI-CQSZACIVSA-N 405.516 5.513 0 40 HKAB CCN(CC)c1ccc(NC(=O)c2cccc(COc3ccc4c(c3)CCC4)c2)cc1 2774685 WEHIAGZRNOHHBY-UHFFFAOYSA-N 414.549 5.853 0 40 HKAB Cc1ccc(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C2=NC[C@@H](C)S2)cc1C 3024891 CJPCBDONPMXCBG-CYBMUJFWSA-N 408.354 6.140 0 40 HKAB CCCCCCc1cc2cc(-c3nnc(-c4ccccc4OC)o3)c(=O)oc2cc1O 3108692 MZZKEXKIKDZDRE-UHFFFAOYSA-N 420.465 5.347 0 40 HKAB Cc1ccc(SCc2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)cc1 3117046 YLNLYQXYZWMTLR-UHFFFAOYSA-N 402.346 6.846 0 40 HKAB COC(=O)c1ccc(CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1 3230605 XWBGLWKLHXUOMR-UHFFFAOYSA-N 407.520 5.075 0 40 HKAB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCc1ccc(F)cc1 3405529 CZTGXRAHZXLFSU-UHFFFAOYSA-N 404.441 5.093 0 40 HKAB CC[C@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 4663285 ATZURZTXUAWVPY-UWSIMGETSA-N 404.941 6.568 0 40 HKAB CCc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 4931061 FLNVIAFLZZMIIR-BKMJKUGQSA-N 412.489 5.263 0 40 HKAB Cn1c(NC(=O)Cc2ccccc2)c(-c2cccc(Cl)c2)c(=O)c2ccccc21 5204629 WZUBNFUTDITDNI-UHFFFAOYSA-N 402.881 5.040 0 40 HKAB O=C(C[C@@H](c1ccccc1)[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 5489186 DCHYDZKWRVSCIG-XCZPVHLTSA-N 404.509 6.710 0 40 HKAB CC(C)(C)[P@](=Nc1cccc2ccccc12)(c1ccncc1)N1CCCCCC1 5496506 PRDCZINTJIQXCF-LJAQVGFWSA-N 405.526 6.983 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(C)cc4C)c(C)s3)C(=O)[C@@H]21 5793622 WHIOHBGYSHOOBF-HNJRGHQBSA-N 406.551 5.217 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 6033451 IULACHUTZJOJHB-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB CCN1C(=O)S[C@H](Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O 6952891 PYIFDRVHOSIOEQ-QGZVFWFLSA-N 410.322 5.199 0 40 HKAB Cc1nc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)ccc1Br 7388701 XWALPBBFOJZYJR-UHFFFAOYSA-N 405.336 5.246 0 40 HKAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(Cl)c(N2CCCC2=O)c1 8193292 RTQPQSJVNBVWTB-UHFFFAOYSA-N 411.933 5.100 0 40 HKAB COc1ccc2[nH]c(SCCCC(=O)Nc3c(Cl)ccc(C)c3Cl)nc2c1 8746631 OMMVCGMZPOQYHF-UHFFFAOYSA-N 424.353 5.698 0 40 HKAB Cc1c(CC(=O)Nc2cccnc2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 8792532 XINHZONLMUXYQP-UHFFFAOYSA-N 410.429 5.091 0 40 HKAB biogenic Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 9198986 RHLOUUMCRUGRMD-UHFFFAOYSA-N 408.310 5.006 0 40 HKAB Cc1cc2nc(-c3ccc(CNC(=O)c4cccc(OC(C)C)c4)cc3)oc2cc1C 10120346 KVHZPNUCGDGDAC-UHFFFAOYSA-N 414.505 5.829 0 40 HKAB COc1cccc2cc(-c3csc(NC(=O)c4nc5ccccc5s4)n3)oc12 10747775 BEVAXOSQOUIFJV-UHFFFAOYSA-N 407.476 5.427 0 40 HKAB Cc1cc(-c2cc(C(=O)Nc3c(C)cccc3C)c3cnn(C(C)C)c3n2)c(C)o1 11479595 JMXUFNRTWREZFH-UHFFFAOYSA-N 402.498 5.758 0 40 HKAB Cc1cc([C@H]2CCCCCN2C(=O)c2c(-c3c(F)cccc3Cl)noc2C)on1 12133892 UGXYUEMMXWOARO-MRXNPFEDSA-N 417.868 5.496 0 40 HKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(Cl)s1 12139012 SZWSKBIPMWKXBA-UHFFFAOYSA-N 411.935 6.699 0 40 HKAB O=C(c1ccco1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 12350068 SBJLBYZBOIPTTD-JMAOXEMGSA-N 418.443 5.995 0 40 HKAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2Br)cc1 13002084 FJXRYBZFXRTYDF-HXUWFJFHSA-N 417.347 5.014 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(/C=C\c4ccccc4)=CC[C@H]32)C1 13400479 FLDVEKQSXXBPDV-WJUQNMCSSA-N 418.621 7.211 0 40 HKAB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)c3cc4ccccc4[nH]3)n2)cc1 14015001 KMRKVWOCFXBSSO-AWEZNQCLSA-N 419.506 5.038 0 40 HKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 14397694 URYUYBPNYIIMRZ-QGZVFWFLSA-N 423.940 6.836 0 40 HKAB COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2cccs2)cc1OC 14608040 METPTDWFJHDUNC-OAQYLSRUSA-N 419.506 5.115 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2nc3c(Cl)cccc3s2)cc1 17090461 AGFRAQXGXGGXEZ-DHZHZOJOSA-N 415.971 5.600 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20144303 YPAXWHLNJGEBMF-UHFFFAOYSA-N 406.265 5.072 0 40 HKAB Cc1cc(C(=O)O)ccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 20151112 JNWOPJHPEKBMBV-QPJJXVBHSA-N 416.260 5.912 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20151205 AMNDEQGYIDKGAI-UHFFFAOYSA-N 408.306 5.477 0 40 HKAB CCn1cc(C(=O)Nc2cccc3ccccc23)c(=O)c2cc(C(F)(F)F)ccc21 22236744 UXKPKVBXHYBIFC-UHFFFAOYSA-N 410.395 5.446 0 40 HKAB COc1cc(C(=O)N(Cc2cccs2)Cc2cccs2)cc(Cl)c1OC 24465015 DJDHMXKESMKOKK-UHFFFAOYSA-N 407.944 5.323 0 40 HKAB Cc1ccc(-c2nc(NC(=O)COc3ccccc3Br)sc2C)cc1 27698678 ZHEJXAFNLCPWSV-UHFFFAOYSA-N 417.328 5.207 0 40 HKAB CCCSc1ncc(Br)c(-c2nnc(-c3ccc(Cl)cc3)o2)n1 27993332 ZBTFELBFAOVMHT-UHFFFAOYSA-N 411.712 5.112 0 40 HKAB O=C(OCc1ccc(Cl)cc1Cl)c1ccc(COc2ccc(Cl)cc2)o1 28562224 JHJPZOMVVQZZCV-UHFFFAOYSA-N 411.668 6.176 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(O)=Nc2cc(-c3ccc(F)cc3)nn21 32105732 GELXXCNBBWVIBY-HNNXBMFYSA-N 419.243 5.168 0 40 HKAB CCn1nc(C)c2c(C(=O)Nc3cc(C)n(C(C)C)n3)cc(-c3ccc(C)cc3)nc21 36613575 RDLCTTXUAZUZJY-UHFFFAOYSA-N 416.529 5.073 0 40 HKAB C[C@H]1C[C@@]2(C)Oc3ccccc3[C@@H]3OC[C@]1(COC(=O)Nc1ccccc1)[C@@H](C)[C@H]32 38549458 UONFBIWUOHBYQS-YTRXFNQUSA-N 407.510 5.436 0 40 HKAB O=C(Nc1cccc2ccccc12)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38834062 UOKNZAIXABFGNA-KRWDZBQOSA-N 413.348 5.997 0 40 HKAB CN(Cc1ccccc1NC(=O)N1CCc2[nH]c3ccccc3c2C1)C1CCCCC1 40103362 JCXQAOOVUIVPFT-UHFFFAOYSA-N 416.569 5.523 0 40 HKAB CCOc1ccccc1OCCCC(=O)N[C@@H](c1nc2ccccc2[nH]1)[C@@H](C)CC 40146171 OSUCXVTYUHGDBL-GAJHUEQPSA-N 409.530 5.024 0 40 HKAB CCOC(=O)CSc1ncc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1 44087678 YHHRMTRHILBNRP-UHFFFAOYSA-N 406.429 5.213 0 40 HKAB Cc1cccc(C2=NC3(CCCCCC3)N(C(=O)c3cccc(Cl)c3)C2=S)c1 45933317 OAKBUSKCYCWNLU-UHFFFAOYSA-N 410.970 5.971 0 40 HKAB O=C(Nc1c(Cl)ccc2nsnc12)c1cccc2c(Br)cccc12 57313927 VGAMJXWYSLVWNL-UHFFFAOYSA-N 418.703 5.513 0 40 HKAB COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c(OC)c1 57313941 DVQKYGJLXBABSL-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1ccco1)c1cccc(F)c1 57991828 HJRHLIKCRXZFSP-UHFFFAOYSA-N 419.456 5.010 0 40 HKAB COc1ccc(Cc2nccc3cc(OCc4ccccc4)c(OC)cc23)cc1OC 65739693 KAWVGHNWGXLEGF-UHFFFAOYSA-N 415.489 5.430 0 40 HKAB in-vitro CC(C)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)NCc2ccco2)c1 67299179 JTGFGZDYXGTPCT-LCUIJRPUSA-N 402.450 5.017 0 40 HKAB Cc1c(-c2nnc3sc(-c4ccc(-c5ccccc5)cc4)nn23)oc2ccccc12 96194242 XEZHDIUPGZOYPL-UHFFFAOYSA-N 408.486 6.241 0 40 HKAB COc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(F)cc32)cc1 96837280 CCOMDEACPDZGBK-UHFFFAOYSA-N 401.485 5.566 0 40 HKAB Cc1scc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)c1C 100156291 HSLZBVILTZRCQF-GASCZTMLSA-N 401.557 5.180 0 40 HKAB CCCc1ccc(-c2nc(N3C(=O)[C@H]4[C@@H]5CC[C@H](C5=C(C)C)[C@@H]4C3=O)sc2C)cc1 100970313 AXVSKANOWZGUET-QCFAMHMHSA-N 420.578 5.553 0 40 HKAB COc1ccccc1[C@H]1C2=C(O)CCCC2=Nc2nc(SCc3ccccc3)nn21 102677161 AHBBMZKRVSXJEB-NRFANRHFSA-N 418.522 5.251 0 40 HKAB CC1(C)CC2=Nc3ccccc3N[C@H](/C(Br)=C/c3ccccc3)C2=C(O)C1 103943795 SHRSGOCRAUCRAD-MCZSENPKSA-N 423.354 6.621 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1Cl 106983721 AXKRRBHGSZTLSC-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 107042227 QIFMAHPDANUITD-UHFFFAOYSA-N 424.274 6.471 0 40 HKAB O=C(c1cc(Br)cs1)N1CCS[C@H](c2cc(F)ccc2F)CC1 219329478 XFWOQCYKEOXLNT-AWEZNQCLSA-N 418.328 5.109 0 40 HKAB CC(C)Oc1ccc(CCCNC(=O)CCCSc2ccc(Cl)cc2)cc1 222692202 SFAZXIXYAOQYET-UHFFFAOYSA-N 405.991 5.749 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 222907709 CWASTMBACBIYRZ-DEOSSOPVSA-N 403.522 6.573 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)NCCc2ccc(Cl)cc2)c(Br)c1 224251077 BNUQJPKKNZUHMD-UHFFFAOYSA-N 424.766 5.138 0 40 HKAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1cccc(Cl)c1 224876337 OHLVGQLDMNDUCU-UHFFFAOYSA-N 405.679 5.329 0 40 HKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225163697 JBDYYGNCVRNQOS-MRXNPFEDSA-N 404.919 5.093 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c2ccccc12 225761943 WWRHLMXNFKUDKR-UHFFFAOYSA-N 419.540 6.998 0 40 HKAB Fc1ccc(N=C/C=C(/Nc2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)cc1 254517861 UKBQCWAECQCXAA-YUVKGNLYSA-N 403.259 7.127 0 40 HKAB FC(F)(F)c1ccc(Cc2ccc(C3CCN(CC4CCCCC4)CC3)nc2)cc1 257288931 PWHHHFCVIKGSHP-UHFFFAOYSA-N 416.531 6.451 0 40 HKAB CCc1ccc(NC(=O)c2cc3c(N4CCCCC4)nc(SC)nc3s2)cc1 408624155 USBBDZMKJRMLNL-UHFFFAOYSA-N 412.584 5.218 0 40 HKAB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)o2)cc1 409134245 NJOUGLHEUPFCNC-FYJGNVAPSA-N 409.507 5.766 0 40 HKAB O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2ccc(F)cc2)N1c1ccccc1 409333637 UYQUJRYAQFMKDN-AREMUKBSSA-N 408.476 6.192 0 40 HKAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)c1 409365366 YYWVTDPSIISCFI-UDWIEESQSA-N 408.523 5.102 0 40 HKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 409380323 CMHJEEUSBMTTEE-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCOc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccc(Cl)cc1 866295 ULCMPEIDLXKFNZ-UHFFFAOYSA-N 403.931 5.119 0 40 HKAB Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c(C)c1 919421 XMFMLJONLCZURG-WMLDXEAASA-N 404.392 5.006 0 40 HKAB Cc1ccc(-c2nc(NC(=O)/C(Br)=C/c3ccccc3)sc2C)cc1 955912 BHFNECNIOMYNCE-ATVHPVEESA-N 413.340 5.801 0 40 HKAB Cc1ccccc1NC(=O)CSc1nc(COc2ccccc2)nc2ccccc12 1356077 PFLLKUSEKPBXPP-UHFFFAOYSA-N 415.518 5.248 0 40 HKAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363893 UBGPIWKDXRLZBF-OAHLLOKOSA-N 402.281 5.063 0 40 HKAB Cc1ccc2cc(CN(Cc3cccs3)C(=O)c3ccco3)c(Cl)nc2c1C 1367721 WPYYKHDKPUONHW-UHFFFAOYSA-N 410.926 6.002 0 40 HKAB FC(F)(F)c1cnc(-n2ccc(-c3cnc(-c4ccccc4)s3)n2)c(Cl)c1 1389009 MVMQVUQANYJPJG-UHFFFAOYSA-N 406.820 5.730 0 40 HKAB CCCSc1nc2c(c(=O)n1Cc1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 1826383 MSQVSZYDCUDVNS-VWLOTQADSA-N 404.579 5.685 0 40 HKAB CCOc1cc(-c2cccs2)c/c(=N\c2cc(C)cc(C)c2)c2c(C)oc(C)c12 1875234 KTRVSYUYLRNMMO-YYADALCUSA-N 403.547 7.026 0 40 HKAB biogenic Cc1c(SC(C)C)c(SC(C)C)c(C)c(SC(C)C)c1SC(C)C 2051148 JFWMSFDFZCPWQY-UHFFFAOYSA-N 402.760 8.305 0 40 HKAB CCCCCCSc1nnc2c(n1)O[C@H](C(=O)c1ccccc1)Nc1ccccc1-2 2073869 HBFDIRBWHJUCLM-JOCHJYFZSA-N 420.538 5.224 0 40 HKAB CC(C)(C)c1cc(NCCc2ccccc2)n2ncc(-c3ccc(Cl)cc3)c2n1 2213269 MCYBRCSKXXRGGZ-UHFFFAOYSA-N 404.945 6.002 0 40 HKAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1cccc2ccccc12 2314557 OULSOKICWKQFPU-UHFFFAOYSA-N 406.485 5.685 0 40 HKAB O=C(Nc1nc2c(s1)CSc1ccccc1-2)c1sc2ccccc2c1Cl 3192461 GENSSLXPHWKWEL-UHFFFAOYSA-N 414.964 6.536 0 40 HKAB Cc1c(C2=CCCCC2)c(C2=CCCCC2)c(C)n1-c1ccc(Br)cc1 3209081 QKDHHOAQNJLKEM-UHFFFAOYSA-N 410.399 7.771 0 40 HKAB CC(C)c1ccc(Oc2coc3cc(OCc4cccc(Cl)c4)ccc3c2=O)cc1 3248720 FXJVSCWTFZHTKK-UHFFFAOYSA-N 420.892 6.941 0 40 HKAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl 3294969 WQLMSAXOZHDULX-ZRDIBKRKSA-N 420.336 5.377 0 40 HKAB O=C(Cc1cccs1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 3449457 WFYVHQLYAIMDNB-UHFFFAOYSA-N 404.413 5.200 0 40 HKAB Cc1ccc([C@@H](C(=O)Nc2ccc(C(C)C)cc2)N(C)C(=O)Cc2cccs2)cc1 3615576 RVAGUECCFZAQAF-DEOSSOPVSA-N 420.578 5.561 0 40 HKAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1ccc(C(F)(F)F)cc1 5099384 TZMGZGRPHUBQKU-UHFFFAOYSA-N 414.383 5.144 0 40 HKAB C[C@@H](NC(=O)Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1Cl 5452344 DGXOSNYPDLFFPD-QGZVFWFLSA-N 403.913 5.158 0 40 HKAB CC(C)OP(=O)(OCC[C@@H](C)OP(=O)(OC(C)C)OC(C)C)OC(C)C 5456580 BRVUDVQMGWHERY-MRXNPFEDSA-N 418.404 5.714 0 40 HKAB Cc1ccc(CSc2nc3c(c(Oc4ccc(C(C)(C)C)cc4)n2)CCCC3)cc1 5745741 CXQTVMYQADZXRM-UHFFFAOYSA-N 418.606 7.046 0 40 HKAB Cc1nc(SCC(=O)N(C)Cc2ccco2)c2cc(-c3ccccc3)sc2n1 6114463 CXEJCWUZKKYTIZ-UHFFFAOYSA-N 409.536 5.010 0 40 HKAB CCc1ccc2nc(NC(=O)CSC(=S)N3[C@H](C)CCC[C@H]3C)sc2c1 6508684 DNSNAZPGXXXCRY-CHWSQXEVSA-N 407.630 5.078 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccco2)Cc2ccccc2F)cc(C)c1Cl 6747646 KUTJLNXGOVEHQL-KRWDZBQOSA-N 415.892 5.685 0 40 HKAB Cc1ccc(C)c(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)c1 6747989 AURXOOVODHZTPW-UHFFFAOYSA-N 401.894 5.431 0 40 HKAB O=C(NC1CC1)[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)c1ccccc1 7150842 XQAJZKLNVWLAQK-QHCPKHFHSA-N 411.530 5.409 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](N[C@H](C)c1ccc(Cl)cc1)c1ccccc1 7268216 OARDHLOEWRFYGG-HXOBKFHXSA-N 408.929 5.688 0 40 HKAB CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1 7784925 KIBZGCIBOWDIFL-KRWDZBQOSA-N 404.510 5.073 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 8383058 DDKNNFXZWMNHQH-CQSZACIVSA-N 414.288 5.630 0 40 HKAB Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)C[C@H](/C=C/c1ccccc1)C3 8559435 MQTQRLLJWKTYMT-LKGOPFMKSA-N 413.908 5.817 0 40 HKAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 9198979 FGCLRDQCLDFCRK-UHFFFAOYSA-N 408.310 5.006 0 40 HKAB O=C(c1ccc(C(F)(F)F)cc1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 9671492 VUIULNXAUDQJIN-UHFFFAOYSA-N 421.806 5.214 0 40 HKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@H]2c2ccccc2F)cc1 9679137 IFZDDCJBXOYAAW-HSZRJFAPSA-N 417.871 5.927 0 40 HKAB COc1ccccc1-c1ocnc1C(=O)Nc1ccccc1CN(C)C1CCCCC1 12115158 WTOQBIQZVQGONX-UHFFFAOYSA-N 419.525 5.367 0 40 HKAB C[C@H](Nc1ncc(-c2cccs2)c(-c2nccs2)n1)c1nc2ccccc2[nH]1 12220836 BKRFFUMYAKUXQZ-LBPRGKRZSA-N 404.524 5.378 0 40 HKAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccccc1SC(F)F 12765553 VBSVFTVVYCDGPP-UHFFFAOYSA-N 404.463 5.312 0 40 HKAB CCCCN(C(=O)COc1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)s1 13563261 QOWDEKYOITXHNR-UHFFFAOYSA-N 419.909 5.210 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1nc(SCc2ccccc2Cl)ncc1Cl 13623955 URHQRYYNIXPAMK-UHFFFAOYSA-N 424.740 5.981 0 40 HKAB COc1cc(COc2ccc(C)c3c2C(=O)C[C@H]3C)c(OC)cc1Br 14810022 AIPGTOYNXJADAP-GFCCVEGCSA-N 405.288 5.044 0 40 HKAB Cc1ccc(C)c(Sc2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)c1 14820219 HCOPBOYYCTZYKA-UHFFFAOYSA-N 411.548 5.110 0 40 HKAB CC(=O)c1ccc(NC(=S)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)cc1 16155633 DKTJFYYXFGKWJV-QFIPXVFZSA-N 414.958 5.210 0 40 HKAB O=C(COC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccc(Cl)cc1 16493650 QAXNQBGXCIMGGK-UHFFFAOYSA-N 418.836 5.097 0 40 HKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cc2ccccc2o1 17089123 UIAMNCVSZRGFAS-UHFFFAOYSA-N 412.445 6.119 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1Cl 17089487 PQVXSFKDFCCGHZ-UHFFFAOYSA-N 413.329 6.831 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3F)o2)cc1Cl 17090142 HVUNVTSKIDIXML-PKNBQFBNSA-N 414.889 5.574 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC(c2nc3ccccc3s2)CC1 17960047 RTFNNDMEXFJONO-UHFFFAOYSA-N 416.550 5.119 0 40 HKAB CCOc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2ccncc2)cc1 19823229 BEMNWZPINYIQGI-UHFFFAOYSA-N 406.486 5.159 0 40 HKAB O=C(Nc1cccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1)c1cccs1 19945492 SDHBDFLQHDVGGV-UHFFFAOYSA-N 424.953 6.104 0 40 HKAB O=c1oc2cc(Oc3nc(-c4ccncc4)nc4ccccc34)ccc2c2c1CCC2 24040846 SIXTYNJEWDWJGF-UHFFFAOYSA-N 407.429 5.079 0 40 HKAB Cc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)cs2)cc1 27990233 ZEPPBEAHSUYKTL-MRXNPFEDSA-N 414.958 5.207 0 40 HKAB Oc1nc(/C(Cl)=C\c2ccc(Cl)cc2)nc2scc(-c3cccs3)c12 33499344 BAVZIZKTKPZIQJ-MDWZMJQESA-N 405.331 6.516 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2ccc(CC)cc2)cc1OCC 33609876 LNHVPOYTWPILPT-UHFFFAOYSA-N 406.320 5.451 0 40 HKAB O=C(Nc1nccs1)c1cc2cc(Cl)ccc2o/c1=N\c1cc(F)cc(F)c1 67294957 BFYDHKSLMCKYKE-MOHJPFBDSA-N 417.824 5.306 0 40 HKAB Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@H](C)c3ccc4ccccc4c3)C2)c1 70039801 PLQHKAOQFNGCLA-XXBNENTESA-N 415.537 5.270 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)N(CCc1cccs1)Cc1cccnc1 77183905 KOTPXPBCMJQJQX-UHFFFAOYSA-N 406.338 5.727 0 40 HKAB CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@H](c2ccc(Cl)cc2Cl)S1 85411996 OEKNJISUYSTUHL-KRWDZBQOSA-N 410.370 6.265 0 40 HKAB CC(C)Oc1ccc(NC(=O)c2cc(-c3cn(C(C)C)cn3)n3ccccc23)cc1 96154899 HTKYWFKCMPJSEQ-UHFFFAOYSA-N 402.498 5.423 0 40 HKAB COc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2ncc(-c3ccccc3)s2)cc1 98212464 OZQWPSFMAJWTAU-FQEVSTJZSA-N 411.530 6.070 0 40 HKAB Cc1cccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1C 107701015 WLZXBLBWOVTAPC-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB Cn1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 214801141 CLVXINUZSXFLMA-GIJQJNRQSA-N 417.317 5.722 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 223272669 MRIQHBJTBPIXDQ-KAYWLYCHSA-N 413.561 5.937 0 40 HKAB O=C(c1cccc(F)c1)N1CCS/C1=C/c1csc(NCc2ccccc2)n1 225256900 KMNPWOAYYLDJAM-XDHOZWIPSA-N 411.527 5.082 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(-c2nc3ccccc3[nH]2)cc1 225259513 SRQVLNVQGDWZRQ-UHFFFAOYSA-N 403.485 5.749 0 40 HKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 225505282 PEHOTFKCRWCXOO-HXUWFJFHSA-N 400.469 6.090 0 40 HKAB CC(C)COc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)c2ccccc12 225934846 RJEOSKNROVKHSW-UHFFFAOYSA-N 423.556 6.819 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260816997 UDSSAGQUWUAAQZ-PXDATVDWSA-N 418.622 5.644 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)CCC[C@@]45C[C@@]35CC[C@]12C 261516457 BSLYZLYLUUIFGZ-NKBGUREPSA-N 412.746 9.278 0 40 HKAB COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 408693579 AJFMWEZGDIEOAC-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(Cl)cc2)c1 408693726 COIIVBSSOOWASN-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(F)cc2)c1C 408696546 ANMQPTNMZRQKFD-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1 409179666 NBOJALZBSCYOGT-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB CC[C@@H](C)c1ccc(OCc2nnc(NC(=O)c3cccc4ccccc34)s2)cc1 687986 PLMWWCKEPJNKBZ-MRXNPFEDSA-N 417.534 6.036 0 40 HKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1 840794 QZMQBUKDDIGWNH-JTQLQIEISA-N 417.699 5.064 0 40 HKAB CCCOc1ccc(-c2csc3ncn(Cc4ccccc4Cl)c(=O)c23)cc1 1911976 PMYPWQJBIWITPB-UHFFFAOYSA-N 410.926 5.616 0 40 HKAB Cc1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(C)(C)c1ssc(=S)c1-2 2066077 KGRKBZDLFUFGQK-UHFFFAOYSA-N 404.025 7.423 0 40 HKAB COc1ccc(C2=C[C@H](c3ccccc3)[C@H]3CCCC[C@]34Oc3ccccc3N24)cc1 2124531 HGGPYRPVMWSYOB-GKAFBRTNSA-N 409.529 6.619 0 40 HKAB biogenic CC(=O)N(CC[C@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)Cc1ccco1 2444371 JCJKXYSDLBOZQP-HSZRJFAPSA-N 403.950 5.490 0 40 HKAB Brc1cccc(OCCSc2nnc(C3CC3)n2-c2ccccc2)c1 2628918 OJIXNRAGNNBQDF-UHFFFAOYSA-N 416.344 5.078 0 40 HKAB CC(C)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2742411 IIGNGQLEOLAJIY-UHFFFAOYSA-N 400.909 6.931 0 40 HKAB CN(C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 2745727 MMICZIVUCZSOOR-UHFFFAOYSA-N 401.897 5.874 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc12 3235975 WTJGUTPJMSBFMA-UHFFFAOYSA-N 419.403 5.806 0 40 HKAB CCCC[C@@H](CC)COc1ccc(-c2cc(C)c(-c3ccc(OC)cc3)cc2C)cc1 3848706 JBRADUSOIBTZII-HSZRJFAPSA-N 416.605 8.241 0 40 HKAB biogenic Cc1[nH]c2ccc(Cl)cc2c1CCNC(=S)Nc1ccc(Cl)c(Cl)c1 4140071 JLWYIKRWDOJNRM-UHFFFAOYSA-N 412.773 5.966 0 40 HKAB CCCN1C(=O)C(C)=C(C)[C@@H]1c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccccc12 4815605 WOFYBBAZPVARPB-JOCHJYFZSA-N 413.348 6.771 0 40 HKAB Cc1nc(N(Cc2ccccc2)C(=O)CN2CCCCC2)sc1-c1ccccc1 4932739 DLOUEZBBMJQMFK-UHFFFAOYSA-N 405.567 5.138 0 40 HKAB CCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(F)cc4)c3c2c1 4969947 YZQVWECSFVXWLN-UHFFFAOYSA-N 411.436 5.557 0 40 HKAB Cc1ccccc1C(=O)Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1 5168937 RYMKLZLZYICCFT-UHFFFAOYSA-N 411.490 5.081 0 40 HKAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c2ccccc12 5242965 YAGSUFZZNWMHFX-UHFFFAOYSA-N 415.518 5.426 0 40 HKAB CCCCc1ccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1 5516477 OGBOJQDBMYRJCH-UHFFFAOYSA-N 404.945 6.753 0 40 HKAB Cc1sc2ncnc(SCC(=O)c3cc(C)n(-c4nccs4)c3C)c2c1C 6113529 FDWKXWQMIXQPKU-UHFFFAOYSA-N 414.581 5.147 0 40 HKAB CC1CCN(c2ccc(NC(=O)c3cccc(Br)c3)cc2Cl)CC1 6349532 JKQUUXAARUGGIJ-UHFFFAOYSA-N 407.739 5.591 0 40 HKAB CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 6418841 DHUSLZFYICINQX-OAHLLOKOSA-N 406.551 6.204 0 40 HKAB O=C1Nc2ccccc2S[C@H]1c1sc(N2CCCCC2)nc1-c1ccccc1 6786900 CEGRZVWDXHSUCB-FQEVSTJZSA-N 407.564 5.586 0 40 HKAB COc1cc(CNc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 6969263 PWIMRCMBCPCTIX-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB CCOc1cc(CNC2CCCCC2)cc(Br)c1OCc1ccccc1 8254041 JLWMJPFDISBZFS-UHFFFAOYSA-N 418.375 5.849 0 40 HKAB O=C(NCCc1ccc(OC(F)F)cc1)N(Cc1cccs1)Cc1cccs1 9377978 JNXLOLMZCWEGDT-UHFFFAOYSA-N 422.522 5.366 0 40 HKAB CN1C(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Oc2ccccc21 9827787 HDERLFKLSFXRTO-UHFFFAOYSA-N 412.367 5.340 0 40 HKAB CCOc1ccc(NC(=O)c2c(C)oc3ccc(OCc4ccccc4)cc23)cc1 11866459 PLYKPENRCGLEQE-UHFFFAOYSA-N 401.462 5.971 0 40 HKAB biogenic CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccs4)=NN32)cc1 12196828 PXNQWUDHCGTFAP-AUSIDOKSSA-N 406.507 5.398 0 40 HKAB Cc1ccc(NC(=O)Cn2c(SCCC(C)C)nc3ccccc32)c(Cl)c1 12564678 VHQMZKZIKPEDQK-UHFFFAOYSA-N 401.963 5.775 0 40 HKAB CN(C)/C=C(/C(=S)N(c1ccccc1)c1ccc2ccccc2c1)c1ccccc1 16163007 YLYRNJSEKPMXLC-LHLOQNFPSA-N 408.570 6.908 0 40 HKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc(Br)c1 16227066 OVPNHQKJJQTEGC-UHFFFAOYSA-N 423.266 5.518 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4Cl)nccn3n2)cc1 17051671 BJIDTIKQTFAXFZ-UHFFFAOYSA-N 408.914 5.089 0 40 HKAB Cc1ccc(Cn2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)cc1 17090178 YWTBLLBNDIRHIR-UHFFFAOYSA-N 414.980 7.461 0 40 HKAB CCCCCC(=O)NC(=S)NCc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 17093676 KVZUSELOTFZKAO-UHFFFAOYSA-N 423.582 5.689 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccc(F)c2)N2CCOCC2)c1C 20193485 JPGZWKQCLCOLRZ-JOCHJYFZSA-N 424.541 5.178 0 40 HKAB CC(C)(C)c1ccc(Oc2ncc(CN3CCN(c4ccccc4)CC3)s2)cc1 20218617 UFRFAJKMKYNDNS-UHFFFAOYSA-N 407.583 5.555 0 40 HKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN([C@H](C)c2ccccc2)C4)cc1 20412574 VWERTOHTHJYPOQ-QGZVFWFLSA-N 413.473 5.382 0 40 HKAB biogenic Cc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2cccc(C)c2C)cc1 27795408 FHJHDOOCNILEIL-MHZLTWQESA-N 412.533 5.720 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(O)=Nc2cc(-c3ccc(F)cc3)nn21 32089721 MKLWXHSGIWYUFG-MRXNPFEDSA-N 419.243 5.168 0 40 HKAB CCCn1c(SCc2cccc(C)c2)nc2c(-c3ccccc3)cn(C)c2c1=O 33114549 FNYBVHBPFHEFDN-UHFFFAOYSA-N 403.551 5.413 0 40 HKAB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1ccc(-c2ccccc2Cl)o1 35042868 AXZYXVJVBBHGMZ-WQRHYEAKSA-N 424.865 5.381 0 40 HKAB Cc1cc2cc(CN(Cc3cccnc3)C(=O)c3cccs3)c(Cl)nc2cc1C 35290983 AKZKOCASANSXPW-UHFFFAOYSA-N 421.953 5.804 0 40 HKAB O=C(Nc1ccc(-c2cnco2)cc1)c1oc2ccccc2c1COc1ccccc1 40146381 KUGXNXWSLGPZSJ-UHFFFAOYSA-N 410.429 5.919 0 40 HKAB O=C(CCc1nc(-c2ccccc2)no1)Nc1c(F)cc(F)cc1-c1ccccc1 40156226 DDZUDZSLXIUUIB-UHFFFAOYSA-N 405.404 5.253 0 40 HKAB CCCCOc1c(Cl)cc(C(=O)NCCOc2cccc(C)c2C)cc1Cl 41156581 RTEUSAOTWGOFNC-UHFFFAOYSA-N 410.341 5.598 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078984 UQJQLDSXASYXOH-UHFFFAOYSA-N 422.887 5.633 0 40 HKAB O=S(=O)(Oc1ccc(Oc2ccccn2)cc1)c1cc(Cl)sc1Cl 58612125 UTZLIOIFVPSXMW-UHFFFAOYSA-N 402.280 5.010 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)c(Cl)c2)nc1 67296622 MDUKMZQCKBCTTA-RWEWTDSWSA-N 403.869 5.583 0 40 HKAB Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc(F)c(Cl)c1 67297006 YYONAFHKSQMVHT-RWEWTDSWSA-N 406.844 6.018 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1Cl 72229971 PRUYKVHSYCOULQ-HXUWFJFHSA-N 402.277 5.336 0 40 HKAB COc1ccccc1-c1csc(NC(=O)c2ccc(-c3nc(C)cs3)cc2)n1 95392997 OCICDYHTVMOLMI-UHFFFAOYSA-N 407.520 5.503 0 40 HKAB Cc1ccc(CN2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)s1 96038200 ODDMGRFIXVGSFW-UHFFFAOYSA-N 406.530 5.285 0 40 HKAB CCC[C@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)CCC 102696866 FFNLFWCXKWZQKH-AGIBEUSCSA-N 420.424 6.963 0 40 HKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2nc3ccccc3s2)S1 222592422 LFOKVILYKKORGS-XMCHAPAWSA-N 417.563 5.071 0 40 HKAB CN1CCC(Oc2ccc(NC(=O)CCCSc3ccc(Cl)cc3)cc2)CC1 222697938 WITACMPBPKSOBB-UHFFFAOYSA-N 418.990 5.324 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1cccc2ccccc12 224300458 VZVHWEZFOHEATA-UHFFFAOYSA-N 411.501 6.297 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccs2)N1c1ccc(Br)cc1 224483709 BYNRODNPBYUQBM-IRXDYDNUSA-N 416.369 5.083 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1cc(C)cc(C)c1 224530813 GBHHUTLVHRHGNR-UHFFFAOYSA-N 403.522 6.150 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1OCC 224615316 XGVXSRQYQKWXKU-ROUUACIJSA-N 411.542 5.008 0 40 HKAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC(C)C)cc1 225334698 HADQAFYZSNRFBM-WOJBJXKFSA-N 409.580 5.416 0 40 HKAB CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1 225542627 QSHMEEQAPJAAFS-UHFFFAOYSA-N 422.613 5.946 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 225720383 RUKVWYCPOQALAM-BJKOFHAPSA-N 421.581 5.922 0 40 HKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC2CCCC2)c(C)c1 225743061 GDWMQFWGKSPPOT-UHFFFAOYSA-N 403.607 6.513 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)CCc1nc(-c2ccc(Br)cc2)no1 225818962 ADCIZQBUZLQINO-UHFFFAOYSA-N 420.694 5.032 0 40 HKAB CC1(NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)CCCCC1 225866035 BNJCMRHHBLYESH-UHFFFAOYSA-N 408.611 6.224 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c2cccnc12 225873457 VDJDFRXHXQMGLX-UHFFFAOYSA-N 404.510 5.019 0 40 HKAB COc1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c2cccnc12 225877250 JBFXCGNAIWPABO-UHFFFAOYSA-N 411.958 5.653 0 40 HKAB CCCCc1ccc(C[C@]2(C)CCc3cccc(-c4ccccc4C(=O)O)c3O2)cc1 257217886 DAZQMBRHGJPWQB-NDEPHWFRSA-N 414.545 6.721 0 40 HKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2cccc(F)c2F)C1 257238431 HKZCGMUAGUWBMN-JQVVWYNYSA-N 407.888 5.742 0 40 HKAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CC(C)(C)C)CC1 257329808 XLPVDYPSEHXYIA-UHFFFAOYSA-N 420.597 5.077 0 40 HKAB Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c(Cl)c1 408629029 IMLLSGWOXGOIKR-LBPRGKRZSA-N 404.963 5.212 0 40 HKAB O=C(Sc1nnc(-c2ccc(Br)cc2)o1)c1cccc2ccccc12 408691682 LMFBDJVRCSZPGM-UHFFFAOYSA-N 411.280 5.585 0 40 HKAB COc1cc(-c2nc(O)c3c(C)c(C)sc3n2)ccc1OCc1ccc(F)cc1 408735830 YEIIEDUUVLVLOQ-UHFFFAOYSA-N 410.470 5.407 0 40 HKAB CCCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(Cl)cc1 409119736 SUHVAPRQMRPYKI-UHFFFAOYSA-N 414.962 5.356 0 40 HKAB CCc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(C)c1-c1ccc(OC)cc1 409205746 SWFRSFFNXTXRJP-BZZOAKBMSA-N 408.567 5.363 0 40 HKAB O=C(Cc1noc2ccccc12)N1CCC2(CC1)CN(c1ccccc1)c1ccccc12 2055738802 RGWLJAWUXCOVJM-UHFFFAOYSA-N 423.516 5.082 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c1 722910 HKNZVVRGIGZKNP-UHFFFAOYSA-N 414.509 5.178 0 40 HKAB COc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)c(C)cc4o3)c2)c1 834942 KUHKGPSXESVURE-UHFFFAOYSA-N 406.869 6.026 0 40 HKAB O=C(NC1CCCC1)[C@@H](c1ccsc1)N(C(=O)Cc1cccs1)c1ccccc1 1333688 WYTJNTVBBHZTLC-JOCHJYFZSA-N 424.591 5.185 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1358450 OWBJVHFMYCZJON-GFCCVEGCSA-N 422.838 5.647 0 40 HKAB Cc1ccc(NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)cc1Cl 1400784 VJVHPTJVLHTPRV-UHFFFAOYSA-N 421.953 5.929 0 40 HKAB O=C(C[C@H](Sc1cccc2cccnc12)c1ccc2c(c1)OCO2)c1cccs1 1463358 JGSPSCPKQXJLSC-QFIPXVFZSA-N 419.527 6.131 0 40 HKAB CCOC(=O)c1c(C)n(CCOc2ccc(C)cc2)c2c1cc(O)c1ccccc12 1467868 KYFJTAKBDCUILN-UHFFFAOYSA-N 403.478 5.373 0 40 HKAB CC(C)Cc1csc(NC(=O)c2ccccc2)c1C(=O)Nc1cccc(Cl)c1 2060363 LGJYXOAFCZJNLD-UHFFFAOYSA-N 412.942 6.105 0 40 HKAB CC(C)Oc1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1 2212176 AFXDIHZSAKXZCK-UHFFFAOYSA-N 424.331 7.134 0 40 HKAB COc1cc(OC)cc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)c1 2230781 OHDUOXYCHBMJHV-UHFFFAOYSA-N 416.868 5.306 0 40 HKAB Cc1ccc2c(c1)N(C(=O)CCc1ccccc1)C(C)(C)c1ssc(=S)c1-2 2321218 SHRYKDPFNQYTCU-UHFFFAOYSA-N 411.617 6.729 0 40 HKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2cccs2)cc1C 2441037 YGQLGKFBXXWILG-UHFFFAOYSA-N 415.518 5.139 0 40 HKAB COc1ccc(CSCc2ccccc2S(=O)(=O)c2ccc(Cl)cc2)cc1 3104414 UBJZMTLEICZBHE-UHFFFAOYSA-N 418.967 5.615 0 40 HKAB COc1ccc(OC)c(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)c1 3167368 VAJCXNRNNHXXFI-UHFFFAOYSA-N 419.417 6.421 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2cccs2)nn1-c1ccccc1 3327529 LGLCJMGHNPMKON-UHFFFAOYSA-N 413.424 5.872 0 40 HKAB Cc1ccc(Cl)c(NC(=O)COC(=O)CCc2nc3ccccc3s2)c1Cl 3344484 QNWMREDFPJZHMS-UHFFFAOYSA-N 423.321 5.026 0 40 HKAB CC(C)CNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 3360901 CAECJVMTIKCVGE-UHFFFAOYSA-N 422.598 5.096 0 40 HKAB C1=C[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1 4262100 MXYLLYBWXIUMIT-VJGNERBWSA-N 416.517 5.287 0 40 HKAB in-vitro CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(SC)cc2)N3)C1 4554584 QQEAZETWLICNIJ-LIRRHRJNSA-N 400.613 6.440 0 40 HKAB CCCc1nc2sc3c(NCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 4785739 KSPVZUUTGOJIDS-UHFFFAOYSA-N 418.566 5.655 0 40 HKAB Cc1nc(SCC(=O)N[C@@H](C)c2cccc(Cl)c2)c2c(C)c(C)sc2n1 4799544 DASWTBQNBINKPJ-NSHDSACASA-N 405.976 5.239 0 40 HKAB O=C(c1ccccc1)N1C(=S)C(c2ccc(Cl)cc2Cl)=NC12CCCC2 4891896 BHYHDKZYGCXFDP-UHFFFAOYSA-N 403.334 5.536 0 40 HKAB COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3cc(C)ccc3C)C[C@@H]21 4908118 WBQGKBLODROXBD-QHCPKHFHSA-N 419.569 5.056 0 40 HKAB COc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(C)c(C)c4)c3c2c1 4970315 DAFBRIGNJNCFLC-UHFFFAOYSA-N 413.908 6.520 0 40 HKAB Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3cnc4ccc(F)cc4c32)cc1C 4970316 DEJOTMGMUWCQHY-UHFFFAOYSA-N 401.872 6.650 0 40 HKAB COc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3ccc(C)o3)C[C@@H]21 5547612 CVCMWUXOYVCAHG-WMZHIEFXSA-N 406.507 5.561 0 40 HKAB COc1cc(OC)cc(C(=O)Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 5720130 GQWPGUQGGCAQJU-UHFFFAOYSA-N 417.486 5.958 0 40 HKAB COC(=O)c1ccc(Nc2nc(-c3ccccc3)nc(C)c2Cc2ccccc2)cc1 6804377 CCSOPYFXVIRREM-UHFFFAOYSA-N 409.489 5.573 0 40 HKAB CCCCNCc1cc(Br)c(OCc2ccccc2F)c(OCC)c1 7261630 SRCRPSOLBQEJDE-UHFFFAOYSA-N 410.327 5.456 0 40 HKAB Cc1ccc(C)c(Cn2c([C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)c1 7544706 GGDOZRNJVQMGLT-FQEVSTJZSA-N 413.496 5.361 0 40 HKAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)/C=C/c1cccc(Oc2ccccc2)c1 8302669 YOEIGZGLTYQNQX-FOCLMDBBSA-N 414.505 5.206 0 40 HKAB Cc1ccc(-c2nn(Cc3ccc(C(F)(F)F)cc3)c(=O)c3nc(C)sc23)cc1 8955150 JAIBYAQXAROHSM-UHFFFAOYSA-N 415.440 5.204 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)cc1 9134424 CDNGIAMTAINSMP-UHFFFAOYSA-N 402.450 5.108 0 40 HKAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cc(Cl)sc1Cl 9640002 MZZDJKSEWDDKMO-UHFFFAOYSA-N 413.307 5.202 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)cc2)cc1 10111796 BUVUFNHZPRWLCJ-HXUWFJFHSA-N 417.618 7.076 0 40 HKAB CCn1c(Cc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 10300826 QYLJDDCVWQVIDK-UHFFFAOYSA-N 412.773 6.141 0 40 HKAB Cc1cc(C)c2nc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)sc2c1 10381600 BVWJTYFHHTTZIU-VOTSOKGWSA-N 422.579 5.308 0 40 HKAB Cc1cccc(-c2cc(N3CCOCC3)nc(SCc3ccc(Cl)cc3)n2)c1 12016183 ZMYDMFCIPKHMJQ-UHFFFAOYSA-N 411.958 5.234 0 40 HKAB Cc1sc(NC(=O)[C@H]2COc3ccccc3O2)c(-c2nc3ccccc3s2)c1C 12361204 XGKRJRQRDLNKHA-QGZVFWFLSA-N 422.531 5.420 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1 12600210 DLCJUBBNLMHSKG-UHFFFAOYSA-N 415.877 5.449 0 40 HKAB CCOc1cc(/C=C/C(=O)N2CCC[C@@H]2c2ccc(OC)cc2)cc(Cl)c1OC 12910395 SLOBJXZGPNHIPC-ACGJQVIASA-N 415.917 5.133 0 40 HKAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2C)c(C)c1 13713403 BLMGAJPSJVTZJX-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccc(Cl)cc2Cl)cc1 14153003 MMDKEQCVVLKEQC-UHFFFAOYSA-N 417.292 5.171 0 40 HKAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1C 15323259 CSUIDFNSBYEWTK-UHFFFAOYSA-N 411.527 5.109 0 40 HKAB COc1ccc(-c2csc3ncnc(NC[C@H](c4ccccc4)N(C)C)c23)cc1 15346023 PZZBWJYZYPMAPK-HXUWFJFHSA-N 404.539 5.082 0 40 HKAB Cc1ccc(-c2ccnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n2)cc1C 15829377 RXXWTYNBYDEUSN-UHFFFAOYSA-N 401.894 5.284 0 40 HKAB Cc1cccc(/N=c2\scc(-c3cc4ccccc4o3)n2C[C@H]2CCCO2)c1C 15910627 SPQDAMJOGNBOSX-KRXRYSOXSA-N 404.535 5.991 0 40 HKAB Cc1c(N)c(Br)cc(Br)c1-c1nc2cc(Cl)ccc2o1 16249303 RMNVAXUUTADJGF-UHFFFAOYSA-N 416.500 5.564 0 40 HKAB Fc1ccccc1COc1ccc(Br)cc1CNCCc1ccccc1 16479346 XOWLNLLJONNPRD-UHFFFAOYSA-N 414.318 5.500 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2cccc3ccccc23)cs1 17093377 FPQAAYYCGKMNAG-UHFFFAOYSA-N 422.937 6.413 0 40 HKAB CCOc1ccc([C@H](CNC(=O)c2cccs2)c2c[nH]c3ccccc23)cc1OC 21525219 SVTUTNKMUDRAQU-SFHVURJKSA-N 420.534 5.199 0 40 HKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc5c(c4)OCO5)c3)oc2cc1C 21578660 HKCFVUMQPXIKKO-UHFFFAOYSA-N 400.434 5.401 0 40 HKAB CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2NCc2ccccc2)cc1 23109720 WFQQJFQGVUIMBU-UHFFFAOYSA-N 402.519 5.242 0 40 HKAB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)cc1OC 26771598 KLLUXTMIHCIHJO-AJUBDXFTSA-N 407.554 5.085 0 40 HKAB biogenic CCc1cc(-c2n[nH]c(C)c2-c2csc(C)n2)c(O)cc1OCc1ccc(F)cc1 28462508 HXDDBUQLFFPMPP-UHFFFAOYSA-N 423.513 5.803 0 40 HKAB COc1cc(C)c(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)cc1OC 32674953 MNDORZAFZBCFKV-UHFFFAOYSA-N 400.478 5.273 0 40 HKAB Clc1ccc(Cc2nc(CSc3nnc(C4CC4)n3C3CC3)cs2)cc1 32913772 APAQTKGXTNKTHC-UHFFFAOYSA-N 402.976 5.483 0 40 HKAB CC(C)c1ccc(NC(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 33326038 UWTQGTDWYUHFMN-FQEVSTJZSA-N 421.566 5.502 0 40 HKAB c1ccc([C@@H]2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCN2)cc1 38545460 KAYYXDPIMIYMRS-NDEPHWFRSA-N 404.557 5.625 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38859933 FOLGHTQGDJMASQ-UHFFFAOYSA-N 419.396 6.276 0 40 HKAB CN(CCOc1ccc(F)cc1)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 40104427 IWEKSBAPPPEIAC-UHFFFAOYSA-N 422.460 5.012 0 40 HKAB Cc1cccc(Cc2cccc([C@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)c1 72349674 QJTMCYZDJNDJAS-QFIPXVFZSA-N 423.560 5.411 0 40 HKAB O=C(Cc1csc(-c2cccs2)n1)N1CCCC[C@@H]1c1nc2ccccc2o1 79111210 SGZCUHVAICYMJM-MRXNPFEDSA-N 409.536 5.309 0 40 HKAB O=c1c2ccccc2c(-c2nc(-c3ccc(Cl)cc3)no2)cn1-c1cccc(F)c1 96324397 CBUFWHXJVVDYLM-UHFFFAOYSA-N 417.827 5.500 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)cc2CNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 102356045 RXODGJWYOKEIJW-LEDOBFOHSA-N 416.594 5.000 0 40 HKAB COc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 107042719 LFWPNFBJRDXWCS-UHFFFAOYSA-N 416.348 6.810 0 40 HKAB C[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(C(C)(C)C)cc1 219768368 KCIBCVQZHWHERJ-SFHVURJKSA-N 421.968 6.708 0 40 HKAB S=C(NCC1(c2ccccc2)CCCCC1)Nc1ccc(Br)cn1 223990379 UXDJOFHGRYILPG-UHFFFAOYSA-N 404.377 5.033 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1cc(C)cc(C)c1C 224607891 LJFJEZDYQOSHNP-UHFFFAOYSA-N 403.522 6.150 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COCCC)c2)cc1 224711117 ZPZNPUKNIVPOGB-UHFFFAOYSA-N 413.514 5.221 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C1CCCC1 225026396 AYCZNKBIKWXXJH-FGZHOGPDSA-N 423.969 5.910 0 40 HKAB Fc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)cc1Cl 225341385 GAEBLOBTBDYHKC-UHFFFAOYSA-N 423.793 6.006 0 40 HKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1cccc(Br)c1 225828167 FQJRSMBUZJXJIM-UHFFFAOYSA-N 422.282 5.224 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(Br)cc2)cc1N1C[C@@H](C)C[C@H](C)C1 226330529 PNOIODLNBCUUJU-KBPBESRZSA-N 416.363 5.074 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(Cl)cc2)c1 408696359 AIECWDSEZUGPMO-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2cc(C)ccc2C)c1 408699218 SGRGFBHJFBCROS-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2cccc(C)c2)cc1 408699239 SIVOGBWFKXTKNV-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 408706248 YMUAFLAUDGVHPB-LJQANCHMSA-N 419.590 6.682 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC(C)C)c1 409095855 DPPHEQRGSUSLMW-UHFFFAOYSA-N 414.962 5.294 0 40 HKAB O=C1N/C(=C/c2ccc(Sc3ccccc3)cc2)C(=O)N1c1ccc(Cl)cc1 409246315 AWVLEWAJECXAIK-XSFVSMFZSA-N 406.894 5.589 0 40 HKAB CCCOc1ccc(Br)cc1/C=C1\SC(=O)N(c2ccccc2)C1=O 409356867 OHPNDGMRDHHBAL-ATVHPVEESA-N 418.312 5.479 0 40 HKAB O=C1[C@H](C[C@H]2CCC[C@]3(OC34CCCCC4)C2=O)CCC[C@]12OC21CCCCC1 504651078 SRXHLHLYMDYESA-JHFSOIRNSA-N 400.559 5.059 0 40 HKAB biogenic CC(C)c1ccc2c(c1)Cc1cccc(c1)CN(C(=O)C1CCCC1)CCOCCO2 643564907 MSYFPJJWRHKZJT-UHFFFAOYSA-N 421.581 5.329 0 40 HKAB Cc1cc(O)nc(C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)c1 1615611173 USPCBISPNKTFIE-UHFFFAOYSA-N 423.831 5.481 0 40 HKAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(C)(c4ccccc43)[C@H]2C1=O 707294 SHTXIQKEXQRWRO-FGEXJBCWSA-N 413.904 5.219 0 40 HKAB Cc1cccc(C)c1NC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)C[C@@H]1c1ccco1 1071233 JWAWTHJEYZWRFR-XMSQKQJNSA-N 408.885 5.203 0 40 HKAB Cc1ccc(-c2nnc(-c3ccccc3S(=O)(=O)Cc3ccc(Cl)cc3)o2)cc1 1400937 FEPVLLXEAWPRGQ-UHFFFAOYSA-N 424.909 5.339 0 40 HKAB aggregator CCCCCCc1cc(OC(=O)c2ccccc2)ccc1OC(=O)c1ccccc1 1654163 QFBUFVQEYCRCEQ-UHFFFAOYSA-N 402.490 6.248 0 40 HKAB CCCCCCOc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1 1787484 RBLQLZFNRRRYJK-UHFFFAOYSA-N 417.299 6.307 0 40 HKAB COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccccc3C)ccc2c1=O 1821147 RGFZASSYUVCSHH-UHFFFAOYSA-N 400.430 5.305 0 40 HKAB biogenic O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(C(=O)c2ccccc2)cc1 2069702 NVLSZOAZGOYRMI-UHFFFAOYSA-N 405.497 6.078 0 40 HKAB COc1ccccc1Oc1coc2cc(OCc3cc(C)ccc3C)ccc2c1=O 2098693 HWEJHWFUYHHGEI-UHFFFAOYSA-N 402.446 5.790 0 40 HKAB biogenic CCOc1ccc(-c2nnc(Nc3cccc(C(F)(F)F)c3)c3ccccc23)cc1 2218133 LAAXYUQCXJOLJX-UHFFFAOYSA-N 409.411 6.458 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1cccc(C)c1 2450303 MGJWXOWMUCCHAC-UHFFFAOYSA-N 420.460 5.023 0 40 HKAB COc1ccccc1Cn1c(SCc2cc(F)ccc2F)nc2ccccc2c1=O 2970274 QPYSODYQOXYARR-UHFFFAOYSA-N 424.472 5.024 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Oc1ccccc1OC(=O)Nc1ccc(Cl)cc1 3152290 TZLFXEIOKRFWQJ-UHFFFAOYSA-N 417.248 6.215 0 40 HKAB Cc1ccc(C(=O)Nc2nnc(SCc3ccc(C(F)(F)F)cc3)s2)cc1 4078230 HJOOIIKQNOBGBB-UHFFFAOYSA-N 409.458 5.410 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 4523655 YLKOCKVHJINQCO-LHSJRXKWSA-N 424.541 6.152 0 40 HKAB CCOC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCCCCCCC2 4614573 JSAOTYACARQDQV-UHFFFAOYSA-N 423.575 5.338 0 40 HKAB O=C1c2[nH]c3ccccc3c2[C@@H](c2ccc(F)cc2F)OCCN1Cc1ccccc1 4726105 FVOMVPKNBCHBIQ-XMMPIXPASA-N 418.443 5.208 0 40 HKAB CCC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@H]1c1ccc(Cl)cc1 4815121 UNZDZFFKLDZPGY-ROUUACIJSA-N 401.297 5.062 0 40 HKAB C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1ccccc1)C(=O)N2c1ccc(Cl)cc1 4877930 FRKVNYDBAJSEHK-RDPSFJRHSA-N 418.880 5.662 0 40 HKAB Cc1cc(C(C)(C)C)oc1C(=O)O[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 4967473 LFGRHGWTIMEBIX-OAQYLSRUSA-N 415.505 5.372 0 40 HKAB CN1CC[C@](CCC(=O)OC(C)(C)C)(CN2c3ccccc3Sc3ccccc32)C1 5053140 KPRFXTZPBHBLSP-VWLOTQADSA-N 424.610 5.733 0 40 HKAB COc1ccc(CNCC[C@]2(c3cccc(C(F)(F)F)c3)CCOC(C)(C)C2)cc1 5244808 WRZOPSWJIOVNQU-QHCPKHFHSA-N 421.503 5.721 0 40 HKAB Cc1c(-c2ccccc2)nc(SCC(=O)Nc2ccc(F)cc2)n1-c1ccccc1 6187747 FRDWMMYDIDCQFY-UHFFFAOYSA-N 417.509 5.718 0 40 HKAB O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N1CCc2ccccc2C1 6344948 VXVZVECFNMKNJF-UHFFFAOYSA-N 400.956 5.141 0 40 HKAB COc1ccccc1C(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(C)=O)c2ccccc21 6670408 YSXYKAJYZLYKNL-UUOWRZLLSA-N 414.505 5.228 0 40 HKAB Cc1ccc(C(=O)[C@H](Sc2nnc(C3CC3)n2C2CC2)c2ccc(C)cc2)cc1 7851819 ITTKTVICSDNYIG-JOCHJYFZSA-N 403.551 5.824 0 40 HKAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCc2sccc2[C@@H]1c1cccs1 7948449 BDZGHLQXFGHMCK-UPWIVDSGSA-N 417.559 5.183 0 40 HKAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 8041726 PXHDFWGPFYZDBU-VGSWGCGISA-N 420.484 5.113 0 40 HKAB O=C(c1ccc(Cl)cc1)[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN21 8426651 KSOAGQYWXOQQHX-NZQKXSOJSA-N 423.299 5.746 0 40 HKAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCc3ccccc3)ccc21 8959274 OMOZJZGYTPJWQS-UHFFFAOYSA-N 408.542 5.056 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1C 9251034 RDSMVXQRFYWIGV-KRWDZBQOSA-N 402.519 5.986 0 40 HKAB COc1ccc(-c2csc(NC(=O)/C=C/c3ccccc3)n2)cc1Br 9292057 HXXHSRFZPYIWFC-JXMROGBWSA-N 415.312 5.233 0 40 HKAB CC(=O)c1ccc(NC(=S)Nc2ccc3c(c2)nc(C)n3-c2ccccc2)cc1 12547510 WIMACSYHYGKRPM-UHFFFAOYSA-N 400.507 5.345 0 40 HKAB S=c1n(CN(Cc2ccncc2)C2CC2)nc(-c2cccs2)n1-c1ccccc1 12552906 UCRORZSCRCKNCQ-UHFFFAOYSA-N 419.579 5.149 0 40 HKAB Cc1ccccc1-n1c(-c2ccc(Cl)cc2)nn(CN2CCC(C)CC2)c1=S 13072659 YCVKLQNWAARYGG-UHFFFAOYSA-N 412.990 5.722 0 40 HKAB Oc1ccccc1-c1cc(-c2ccccc2)nc2nc(SCc3ccccc3)nn12 13637463 JJXABXXXBBAJIG-UHFFFAOYSA-N 410.502 5.456 0 40 HKAB COc1ccc(-c2coc3c4c(ccc3c2=O)OCN([C@@H](C)c2ccccc2)C4)cc1 13689558 BCSLZAVETSLTCB-KRWDZBQOSA-N 413.473 5.382 0 40 HKAB biogenic O=C1C[C@H](c2ccc(OC3CCCC3)cc2)c2sc(Nc3ccccc3)nc2N1 15110059 VWBUWHGIGKCQQG-LJQANCHMSA-N 405.523 5.682 0 40 HKAB COc1ccc(C(=O)c2oc3cc(NC(=O)/C=C/c4ccccc4)ccc3c2C)cc1 15729367 FMJDLSHKOJPADO-OVCLIPMQSA-N 411.457 5.633 0 40 HKAB COc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1C 16362729 CLAQLLYPWGXVMY-NVUQSHBQSA-N 419.609 6.277 0 40 HKAB Cc1cccc(OCCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1C 16902454 RPWDMSSRLTZPSW-HXUWFJFHSA-N 419.569 5.237 0 40 HKAB Cc1cc(C)cc(Nc2nc(NCc3ccccc3)nc3c2cnn3-c2ccccc2)c1 17010878 OTOPOGQARWQOEB-UHFFFAOYSA-N 420.520 5.788 0 40 HKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 17088711 ZZKFDQACDFVZGH-UHFFFAOYSA-N 410.926 5.876 0 40 HKAB COc1ccc(Cn2nc(-c3cccc(OC)c3)c(C)c2-c2cccc(OC)c2)cc1 17089922 TWFLEHHZBJPOTB-UHFFFAOYSA-N 414.505 5.600 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)NCc3ccccc3-n3ccnc3)cc2)cc1 20107980 MUWVBPPQRXQKTF-UHFFFAOYSA-N 413.546 5.403 0 40 HKAB COc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1Cl 20457426 MZOLYHIVHGXSKK-UHFFFAOYSA-N 413.926 5.772 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccccc2Cl)sc2c1CCCC2 20460841 ZSDSUISSQMKGAD-HNNXBMFYSA-N 421.946 5.253 0 40 HKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 22513389 AQPSDGWDZLHBKM-DHUDBDOYSA-N 423.984 6.604 0 40 HKAB O=c1[nH]c(N2CCc3ccccc32)nc2nccc(-c3ccc(-c4ccccc4)cc3)c12 22606805 LXIQOFZFYSTXMY-UHFFFAOYSA-N 416.484 5.346 0 40 HKAB CC[C@@H](C(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@H]1c1ccccc1)c1ccccc1 28047908 MZJSCDHBBLGBHP-HYBUGGRVSA-N 418.924 5.404 0 40 HKAB O=C(NCCCc1ccccc1Cl)c1ccc(CN2CCc3ccccc32)cc1 30755879 YWHAQHUFCLDHOB-UHFFFAOYSA-N 404.941 5.265 0 40 HKAB CCN(CC)CCn1c(NC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc21 32502536 YASZXPOSMNZYMX-UHFFFAOYSA-N 419.451 5.041 0 40 HKAB CC(=O)c1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 35107541 GJLCPMIXWBSTHG-UHFFFAOYSA-N 423.346 5.538 0 40 HKAB Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3onc(-c4ccc(F)cc4)c23)on1 36618426 AWYDLAAKEPCMKO-UHFFFAOYSA-N 414.396 5.245 0 40 HKAB O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccc(C2SCCCS2)cc1 40152446 AKTIKOWDKMIWAW-UHFFFAOYSA-N 409.536 5.390 0 40 HKAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2cc(F)cc(F)c2)c1OC(C)C 40266292 RIWCEDSWGSKYRB-KRWDZBQOSA-N 413.424 5.070 0 40 HKAB O=C(COc1ccccc1-c1nc(-c2ccccc2Cl)no1)Nc1ccc(F)cc1 46012301 FVNFJSBDMOVEGN-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB Cc1nnc([C@H](C)Sc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)o1 48186600 PRMKJQNZQIFXMJ-LBPRGKRZSA-N 418.444 5.648 0 40 HKAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72214946 QBZPXADAQBJCGY-SFHVURJKSA-N 419.566 5.694 0 40 HKAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1)C1CCC1 72215510 YESBUKWFMKWTMY-OAQYLSRUSA-N 421.541 5.353 0 40 HKAB O=C(COc1cccc(-c2nc(-c3ccccc3)no2)c1)Nc1ccc(Cl)cc1 72242819 BMKOJONNQPQWQU-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB COc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2cccs2)c1OC(F)F 72264320 UJEDYMKASPKQCZ-QGZVFWFLSA-N 423.868 5.531 0 40 HKAB CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3c(C)cccc3[nH]2)C[C@H]1C(C)C 72320963 JICXQTKWRNAWLY-FKBYEOEOSA-N 409.618 5.821 0 40 HKAB biogenic,in-vitro O=C(/C=C\c1ccccc1)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 72341235 PEVYGONEWHRGKI-WDZFZDKYSA-N 409.272 6.454 0 40 HKAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)c1ccc(-c2ccccc2)cc1 79487054 FUTFCGFSJOGMSA-UHFFFAOYSA-N 407.429 5.743 0 40 HKAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccccc2OCc2ccc(F)cc2)S1 85412357 RWZPEQJKRRWZMG-HXUWFJFHSA-N 411.502 5.362 0 40 HKAB C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)c2sccc2C2CC2)cc1Cl 89929740 OMZDOZNAAZFSLZ-CYBMUJFWSA-N 402.947 5.546 0 40 HKAB O=C(c1cnc2ccc(F)cc2c1NCCc1ccc(Cl)cc1)N1CCCCC1 95471190 DSUNWUIKCQZFTM-UHFFFAOYSA-N 411.908 5.308 0 40 HKAB COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118928149 NMYROXPSKHHTLY-YKJJBCCLSA-N 402.575 5.306 0 40 HKAB COc1ccccc1-c1cc(C(=O)N2CCCC[C@H](c3ccc(Cl)cc3)C2)[nH]n1 206879651 KMYUXSTUKOVRLS-KRWDZBQOSA-N 409.917 5.149 0 40 HKAB O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1c(F)cccc1Cl 215177355 CMTLCKSCEAPDJJ-OVCLIPMQSA-N 415.795 5.734 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)ccc1Br 218827662 WJWLWNNWRWUJBD-UHFFFAOYSA-N 404.304 5.096 0 40 HKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 222897000 YIZXPYHWFAJADE-LEWJYISDSA-N 411.958 5.686 0 40 HKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 222935384 TUKOTUOFWGFGHH-SFTDATJTSA-N 409.580 5.454 0 40 HKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(CSc2ccccc2)cc1 222951390 CRNVNFGOMCQXKS-HSZRJFAPSA-N 405.563 6.392 0 40 HKAB C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4cc(Cl)c(Cl)cc4Cl)cn1c23 223095394 LTIZZWCMAWNBNQ-VIFPVBQESA-N 407.684 5.331 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(Cc1ccccc1)Cc1ccccc1 223947166 AZQNTEBJLAUZBH-HHHXNRCGSA-N 413.561 5.952 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccccc1C(C)(C)C 224507433 PZTYZNRXZHXFOU-UHFFFAOYSA-N 423.597 6.414 0 40 HKAB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1ccc2c(c1)oc1ccccc12 224556929 DMGNKXYLWMWTFS-UHFFFAOYSA-N 420.468 6.118 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C(=O)OC 225686194 CZYFGNWFUGJHJN-UHFFFAOYSA-N 415.917 5.366 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)c1cc2cccc(Cl)c2oc1=O 226040701 VLCFOJRUVSPVKW-UHFFFAOYSA-N 407.878 5.850 0 40 HKAB O=C(NCCC1CCCC1)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 257302998 SFJDNGAHYJAEKW-UHFFFAOYSA-N 409.545 5.529 0 40 HKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccc(F)cc2)nc1-c1ccccc1 408696261 YVMJNUWMGTXWPS-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1ccc(C)c(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(F)cc3)n2)c1 408697424 HHTGVMQJTWKETI-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB COCCn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1Cl 409108693 YQNLMBLXLDORDV-UHFFFAOYSA-N 408.354 5.114 0 40 HKAB Cc1ccccc1C(=O)/N=c1\sc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1C 409205961 UIKMSEWVSGUISE-LCUIJRPUSA-N 418.949 6.124 0 40 HKAB Cc1cccc(C)c1OCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1C 409345434 IILQSOYBMFAWMA-UHFFFAOYSA-N 408.354 5.610 0 40 HKAB Cc1ccccc1CNc1ccccc1NC(=O)CCCc1ccc2nc(O)[nH]c2c1 543013739 GUAAKXTZJMBNMX-UHFFFAOYSA-N 414.509 5.150 0 40 HKAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2cc3cc(F)ccc3o2)cc1 585091712 BWNHRCJRCATROW-UHFFFAOYSA-N 403.409 5.113 0 40 HKAB Cc1ccc(C)c(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)c3ccccc3n2)c1 681728 WCXHMGLVYPGCQU-UHFFFAOYSA-N 421.544 5.481 0 40 HKAB O=C1C[C@@H](c2ccc(F)cc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21 1258943 AWPURSNZKSCATR-FQEVSTJZSA-N 400.478 6.234 0 40 HKAB aggregator C1=C(c2ccccc2)N(C2CCCCC2)C(c2ccccc2)=CN1Cc1ccccc1 1731063 JSOOTFHJYYMOSZ-UHFFFAOYSA-N 406.573 7.134 0 40 HKAB Cc1ccc(C)c(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)c1 1859800 XLBPFXRIBXTDQP-UHFFFAOYSA-N 422.248 7.288 0 40 HKAB CCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O 2052939 OKDRNHJGWMKCOT-UHFFFAOYSA-N 406.265 5.141 0 40 HKAB O=c1oc2c3c(ccc2c2c1CCC2)OCN(c1ccc(Oc2ccccc2)cc1)C3 2115584 YSSATQPSUYWKHQ-UHFFFAOYSA-N 411.457 5.431 0 40 HKAB biogenic CSc1nc(Cl)c(Cc2ccc(OCC(C)C)cc2)c(N2CCCCC2)n1 2117711 WWUPBSCIDXJZBZ-UHFFFAOYSA-N 405.995 5.468 0 40 HKAB Cc1c(Cl)cccc1-n1c(N)c(C(=O)OC(C)(C)C)c2nc3ccccc3nc21 2251085 CYBNHPSQRKBXBN-UHFFFAOYSA-N 408.889 5.073 0 40 HKAB CC(C)c1ccc(N2COc3c(Cl)cc4c5c(c(=O)oc4c3C2)CCCC5)cc1 2393209 KYJMQMYZEXMXTA-UHFFFAOYSA-N 409.913 5.805 0 40 HKAB Cc1cc(C)c(NC(=O)COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(C)c1 3226752 NYPPICQZVDKYJS-UHFFFAOYSA-N 409.570 6.002 0 40 HKAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 3229095 CJXLAZCJVZXDAK-IXFSTUDKSA-N 423.553 5.274 0 40 HKAB CCCCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@@H]1c1ccc(Cl)cc1 4816969 OWEKXOURCQVWPV-UXHICEINSA-N 424.932 5.198 0 40 HKAB CC[C@@H](C(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1C)c1ccccc1 5240101 HNUMSAWDLUKGBS-OAQYLSRUSA-N 411.505 5.135 0 40 HKAB CCOc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccc(OC)cc3)no2)cc1 5563116 SPDJHZDMKYPVFN-UHFFFAOYSA-N 415.449 5.063 0 40 HKAB O=C(Nc1ccccc1)[C@@H]1C(O)=Nc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1 5604009 INBXREFOENACJH-WOJBJXKFSA-N 411.288 5.982 0 40 HKAB CCCSC1=NOC2=N[C@@H](c3ccc4ccccc4c3)Nc3ccccc3C2=N1 5899815 QGSAUQYBAVDWQC-NRFANRHFSA-N 400.507 5.596 0 40 HKAB O=C1/C(=C/Nc2cc(Cl)cc(Cl)c2)c2ccccc2C(=O)N1c1ccccc1 6139979 VNSAQPZHRAHICQ-DEDYPNTBSA-N 409.272 5.633 0 40 HKAB COc1ccc2cc(/C=C3\N=C(c4ccc(C(C)(C)C)cc4)OC3=O)c(Cl)nc2c1 6459304 RYWCWCPTGKQINP-NDENLUEZSA-N 420.896 5.539 0 40 HKAB CCCCOc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 6651443 UOZKVNGGOCDMIZ-UHFFFAOYSA-N 419.304 6.789 0 40 HKAB Fc1ccc(-c2csc3ncnc(N[C@H]4CCN(Cc5ccccc5)C4)c23)cc1 6785867 GLGDVHMEQLEMMV-IBGZPJMESA-N 404.514 5.184 0 40 HKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1I 6887076 XPDPPRYHPWDESI-UHFFFAOYSA-N 413.258 5.139 0 40 HKAB CCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(-c3ccccc3)cc2)cc1 8150692 FTSBXTZCJBTFFC-HHHXNRCGSA-N 404.513 6.687 0 40 HKAB CCOCCCNCc1cc(Br)ccc1OCc1ccccc1Cl 8253163 OCMWWWJKCLZZAZ-UHFFFAOYSA-N 412.755 5.198 0 40 HKAB COc1cccc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c1OCc1ccccc1F 8534550 CRYJKHMRLLXJMN-YFKJYVEOSA-N 423.572 6.252 0 40 HKAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc(C3CC3)cc(-c3ccc(F)cc3)c12 9354823 IERWWPNAUHACMZ-UHFFFAOYSA-N 422.912 6.446 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c1 10128861 DGOLQQKQAVRDGT-UHFFFAOYSA-N 413.473 5.891 0 40 HKAB COc1ccc(Cl)cc1N1C[C@@H](c2nc(-c3ccc(C(C)C)cc3)no2)CC1=O 12415999 BNIHUDPSKTWCOK-INIZCTEOSA-N 411.889 5.043 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(N2CCCCCC2)cc1 12524967 LPIWOQOMKWKKQO-GOSISDBHSA-N 422.598 5.308 0 40 HKAB O=C(Nc1ccncc1)c1cc(-c2cccc(Br)c2)nc2ccccc12 12936421 KMNOKCDTIXDWOY-UHFFFAOYSA-N 404.267 5.312 0 40 HKAB O=C(N[C@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1cccc(Cl)c1 13305251 YVQMHMZKLBYEDU-AWEZNQCLSA-N 412.531 5.532 0 40 HKAB COc1cccc(-c2nc(CSc3nc(-c4ccc(C)cc4)n[nH]3)cs2)c1OC 14069451 FCHNTWUGNNNRHP-UHFFFAOYSA-N 424.551 5.213 0 40 HKAB COCCN(Cc1nnc(-c2cccs2)o1)Cc1sc2ccccc2c1Cl 14094676 KULITYKMDDIWIS-UHFFFAOYSA-N 419.959 5.315 0 40 HKAB Cc1cc2occ(CC(=O)OCC(=O)Nc3ccccc3SC(F)F)c2cc1C 14773223 OSUUBFQKOABPHO-UHFFFAOYSA-N 419.449 5.089 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3c2[C@H](c2ccc(C(F)(F)F)cc2)CC(=O)N3)C1 15106889 CKEPWPSNVBJLET-HOCLYGCPSA-N 407.501 6.392 0 40 HKAB COc1c(Br)cc(Br)cc1C(=O)Nc1cccc(C)c1C 17089441 CCQLGUNHVNJTOC-UHFFFAOYSA-N 413.109 5.089 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1Br 17195091 QWNHDMNSHUODPR-UHFFFAOYSA-N 423.719 5.487 0 40 HKAB O=C1[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc(Cl)c1 18043076 MOHSVONVIGPRDB-CJRSTVEYSA-N 413.904 5.583 0 40 HKAB biogenic COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)c3cc(C(C)C)on3)on2)cc1 19452726 BSKPVVKCJQONPE-HXUWFJFHSA-N 409.486 5.219 0 40 HKAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 20140036 PXSWRAPYVYEMHU-UHFFFAOYSA-N 410.640 5.857 0 40 HKAB Cc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1 20367790 SQEPBTLMKSNXMU-HXUWFJFHSA-N 418.884 5.610 0 40 HKAB Cc1ccc(C(=O)C2CCN(C(=O)c3cc(C)n(CC(F)(F)F)c3C)CC2)c(C)c1 24455305 JGQZIBFOTFKKCG-UHFFFAOYSA-N 420.475 5.019 0 40 HKAB N[C@@H](Cc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 31939058 NDLKVNXPSRMINB-QMMMGPOBSA-N 413.515 5.429 0 40 HKAB CC1CCN(C(=S)c2cc(Br)ccc2OCc2ccc(F)cc2)CC1 35104983 FEGVQLGMGRMHRW-UHFFFAOYSA-N 422.363 5.575 0 40 HKAB O=C(/C=C/c1cccs1)N1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1 38534303 IRRSOJIKJQYPEL-BQYQJAHWSA-N 419.472 5.069 0 40 HKAB CSc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c1 46079013 WMLOGRWNVQKJIA-UHFFFAOYSA-N 420.509 5.393 0 40 HKAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)c1C 59176109 KPKWOSBZMSRYKK-UHFFFAOYSA-N 419.506 5.149 0 40 HKAB O=C1S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1c1ccccc1 59418142 GTJNBRRAXBFCRU-KGENOOAVSA-N 405.450 5.646 0 40 HKAB Cc1occc1-c1nn(CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)c(=S)n1C 95947975 PDSFEULUILTALB-NRFANRHFSA-N 422.529 5.338 0 40 HKAB CCOc1ccc2c(c1)-c1c(ss/c1=N/c1ccc(Cl)cc1)C(C)(C)N2 101959865 GKVNNHGPOFNIQT-ZBJSNUHESA-N 402.972 6.422 0 40 HKAB ClC1=C(Cl)[C@@]2(Cl)[C@](Cl)(C1)[C@]1(Cl)C[C@]2(Cl)C(Cl)=C1Cl 104326968 IQSMWCVXFYYACT-XKNYDFJKSA-N 407.766 6.096 0 40 HKAB CC(=O)c1cccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 107851967 GHGDZMHBCVMNDV-UHFFFAOYSA-N 423.346 5.538 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1C(C)C 223348899 VMHCCIXCMITBJH-NRFANRHFSA-N 422.613 5.525 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)NCCOc3ccc(C)c(C)c3)cc2)cc1 223458875 JWWPQCQIBKFEJU-UHFFFAOYSA-N 405.563 5.713 0 40 HKAB O[C@H]([C@@H](Sc1ccccc1)c1ccc(Sc2ccccc2)cc1)N1CCOCC1 223813190 KMKCVRICODKOIS-BJKOFHAPSA-N 423.603 5.322 0 40 HKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 224356591 RASJOMUPTFPQGN-UXHICEINSA-N 413.999 6.097 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COCc1ccccc1 224460677 XXUSWYVQTMIGOM-UHFFFAOYSA-N 416.304 5.971 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCC4)cc3)CCCCC2)cc1 225542223 IKDYZMIODXVOHO-UHFFFAOYSA-N 406.570 5.310 0 40 HKAB COc1cc(C)c(C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1C(C)C 225670142 OGPDGVHAUGPMOZ-UHFFFAOYSA-N 413.905 5.103 0 40 HKAB Fc1ccc(C2(CNC(=S)Nc3cccc(Br)c3)CCCC2)cc1 225809885 XWDRTUKDZYMTIF-UHFFFAOYSA-N 407.352 5.387 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cn1 225877099 FXISTXQAELOCQF-UHFFFAOYSA-N 423.340 5.254 0 40 HKAB CCc1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)c(Br)c2)cc1 226356420 YNHWTKUBLCSQET-UHFFFAOYSA-N 414.255 5.222 0 40 HKAB CCC[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(CCNC(=O)OC(C)(C)C)ccc1OC2(C)C 257248533 JEBSKGHXMGJCGH-QFUCXCTJSA-N 403.563 5.561 0 40 HKAB C[C@H]1O[C@@H]2c3cc(CC(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccccc1Cl 257286665 PMLYEDCEXPLLIH-HEIADDMOSA-N 400.902 5.388 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 408543876 FRJAPWOPUYMDJJ-UHFFFAOYSA-N 402.346 6.846 0 40 HKAB O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)cc1Cl)c1ccc(F)cc1 408624288 GMPLTGKORQLXBW-UHFFFAOYSA-N 410.297 5.528 0 40 HKAB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 408806377 AORWZRONPDIYET-MFOYZWKCSA-N 424.305 5.247 0 40 HKAB COc1ccc(-n2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 409098266 PBOOKXHFLQQARQ-UHFFFAOYSA-N 401.535 5.202 0 40 HKAB Cc1ccc(S(=O)(=O)Oc2ccc(CNc3cccc(Cl)c3C)cc2)cc1 409111090 AHKYETQVKWDEJK-UHFFFAOYSA-N 401.915 5.337 0 40 HKAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 409205362 HOQLDZSVGOEGAI-UHFFFAOYSA-N 424.393 6.133 0 40 HKAB O[C@@H](COc1ccc(C(F)(F)F)cc1)CN(Cc1ccccc1)Cc1ccccc1 1857797427 LGTYABNNHILKHF-JOCHJYFZSA-N 415.455 5.148 0 40 HKAB Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc(-c3ccc4c(c3)OCO4)ccc12 661473 LUWDMIGCQPPFSR-UHFFFAOYSA-N 423.881 5.180 0 40 HKAB O=C(CSc1nc(Cc2ccccc2)nc2ccccc12)Nc1cccc(F)c1 1342627 QEEZIXNSKUMTTD-UHFFFAOYSA-N 403.482 5.091 0 40 HKAB COc1ccccc1NC(=O)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 1371396 PNUUOAPJGWSALD-UHFFFAOYSA-N 419.525 5.130 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 1533896 WPGBZYODOQWWFN-UHFFFAOYSA-N 417.559 5.653 0 40 HKAB O=C(NCc1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1 2136713 VKHHQHQHOLESIO-UHFFFAOYSA-N 421.456 5.042 0 40 HKAB biogenic O=C(CCc1ccccc1)Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 2254002 IVCNTQIZSKLDFY-UHFFFAOYSA-N 419.488 5.030 0 40 HKAB O=C(O[C@H](Sc1nc2ccccc2s1)c1ccccc1Cl)c1ccccc1 2351955 WHDBIPZPYWIXBU-HXUWFJFHSA-N 411.935 6.598 0 40 HKAB Clc1cccc(-c2nnc(SC/C=C/c3ccccc3)n2Cc2ccco2)c1 2433768 PPLJPJRISLNBCZ-RMKNXTFCSA-N 407.926 6.045 0 40 HKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CN(C)C3CCN(C)CC3)cc2)cc1 2655692 VZIBFVOJYFDHSI-UHFFFAOYSA-N 423.601 5.131 0 40 HKAB Fc1ccc(-n2cc(-c3ccccc3)c3c(NC4CCCCCC4)ncnc32)cc1 2714766 RHMUZGQKIMMICB-UHFFFAOYSA-N 400.501 6.361 0 40 HKAB CC[C@H]1CCc2c(sc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)c2C(=O)OC)C1 2741497 HRWAIWNOBGIIAH-STQMWFEESA-N 421.946 5.109 0 40 HKAB COc1ccccc1NP(=O)(Oc1ccccc1Cl)Oc1ccccc1Cl 3123406 VKIONQQYIAGZAW-UHFFFAOYSA-N 424.220 6.680 0 40 HKAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)c1ccc(Br)s1 3249157 BEHDNXDROUNJTM-UHFFFAOYSA-N 416.671 5.553 0 40 HKAB COc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccc(Cl)cc32)cc1OC 4129891 RWMZLRRFHSPZBW-UHFFFAOYSA-N 405.885 5.100 0 40 HKAB CCOc1ccc(-c2nc3cc(NC(=O)c4cccc(OCC)c4)ccc3o2)cc1 5172312 VZXUMYNYFIBEOD-UHFFFAOYSA-N 402.450 5.545 0 40 HKAB COc1cccc(-c2c(NC(=O)c3ccccc3)oc3ccc(Cl)cc3c2=O)c1 5345590 IRWWYCRNZOOLCK-UHFFFAOYSA-N 405.837 5.374 0 40 HKAB Cc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)NC2CCCCC2)cc1 5905448 XXXSFTWLCKSMEI-UHFFFAOYSA-N 417.553 5.189 0 40 HKAB CCCCc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccccc2)cc1 6654191 ZIBPYFXLIXXBAZ-UHFFFAOYSA-N 422.550 5.107 0 40 HKAB CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)CCCC(=O)O)cc1 7779736 VKSSWLBLXOEEGW-UHFFFAOYSA-N 411.376 5.090 0 40 HKAB Cc1cccc(C)c1NC(=O)c1nc(SCc2ccccc2Cl)ncc1Cl 9305286 VVOAWEGPVTZAQS-UHFFFAOYSA-N 418.349 5.945 0 40 HKAB Cc1cccc(CSc2cn(Cc3ccc(Br)cc3)c3ccccc23)c1 9391702 IXAWIGWISFYXHM-UHFFFAOYSA-N 422.391 7.053 0 40 HKAB CCN(CC)c1ccc(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)cc1 9471619 RKJTZRNBFIXXCX-UHFFFAOYSA-N 418.353 5.673 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 10314698 XMUIONLUGPKCQW-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB CSc1ccccc1C(=O)N(C[C@@H]1CCCO1)c1nc2cc(C)cc(C)c2s1 11141620 IBBCSUBBOFCCRC-INIZCTEOSA-N 412.580 5.461 0 40 HKAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccn23)cc1 12342100 NJVKDEAGGSZMMW-UHFFFAOYSA-N 417.896 5.275 0 40 HKAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCC[C@H](C)C3)c2c1 12437913 FOEZDKGRHMLLDF-SFHVURJKSA-N 424.566 5.011 0 40 HKAB CCOc1cc2c(cc1NC(=O)c1sc3cc(F)ccc3c1Cl)O[C@H](C)C2 12783264 YPMZTOFMYIZPHD-SNVBAGLBSA-N 405.878 5.668 0 40 HKAB COc1cc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1OC(F)F 13042366 MLVGUPCSZSVTDH-ZRDIBKRKSA-N 403.469 6.195 0 40 HKAB O=C(OCC(=O)c1ccc(Cl)s1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 13098264 UOBCDGWSRWVTQA-UHFFFAOYSA-N 414.788 5.720 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)c1C 14405252 FZBMVIJNMYMNAW-UHFFFAOYSA-N 404.514 5.113 0 40 HKAB Cn1c2c(s/c1=N\C(=O)C(c1ccccc1)c1ccccc1)CCc1ccccc1-2 15230392 MKEQTGWIMXKSMF-RQZHXJHFSA-N 410.542 5.112 0 40 HKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)CC45CC6CC(CC(C6)C4)C5)c3)nc2c1 16268790 WXIIYAPBRFSWRH-UHFFFAOYSA-N 414.549 6.657 0 40 HKAB CCOP(=O)(OCC)c1nc(-c2ccco2)oc1NCc1ccccc1Cl 16806297 IGQXOPMDLHLCBN-UHFFFAOYSA-N 410.794 5.092 0 40 HKAB CCCCCCSc1nc2c(c(=O)[nH]1)[C@](C)(C1CCCCC1)Cc1ccccc1-2 16944413 IJNOLBUQFQKFID-VWLOTQADSA-N 410.627 6.503 0 40 HKAB COc1ccc(C)cc1NC(=O)Nc1ccn(Cc2ccc(Cl)cc2Cl)n1 17083129 XGIPKDNAANINPK-UHFFFAOYSA-N 405.285 5.199 0 40 HKAB Cc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1 20367788 SQEPBTLMKSNXMU-FQEVSTJZSA-N 418.884 5.610 0 40 HKAB O=S(=O)(c1ccccc1)c1cnc2ccc(Cl)cc2c1NCc1ccccc1 20382346 OQGRFQYEVXUDRG-UHFFFAOYSA-N 408.910 5.333 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 20411227 FTUMLNHIIMKZAC-UHFFFAOYSA-N 420.896 6.533 0 40 HKAB O=C(Nc1c(Cl)cccc1Cl)c1ccc(CN2CCCc3ccccc32)cc1 20482101 KBKPWLIPXCJCEL-UHFFFAOYSA-N 411.332 6.199 0 40 HKAB Cc1cccc(-c2nc(-c3ccccc3OCC(=O)Nc3cccc(Cl)c3)no2)c1 33325031 FAUVCMVJQKJLGU-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CCOc1cc(/C=C/C(=O)O)cc(Br)c1OCc1cccc(Cl)c1 33649686 ONRSIJHWTIUKIX-VOTSOKGWSA-N 411.679 5.178 0 40 HKAB Cc1nc(Sc2nnc(C3CC3)n2C2CC2)c2c(-c3cccs3)csc2n1 40023365 IYYDOLLDUIZEQH-UHFFFAOYSA-N 411.581 5.683 0 40 HKAB CC(C)Cc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c2ccccc2n1 41125379 BXVPYYJHKSPUHM-UHFFFAOYSA-N 416.304 5.780 0 40 HKAB Cc1cc2cc(NC(=O)c3ccc(Oc4ccc(C(F)(F)F)cn4)cc3)ccc2[nH]1 48261179 MLUUPRLHNBWYDG-UHFFFAOYSA-N 411.383 5.935 0 40 HKAB CC(C)(C)c1nn(-c2ccccc2)c2nc3c(cc12)CN(Cc1ccccc1)CCO3 57719817 LHPOYNSDXDCSJK-UHFFFAOYSA-N 412.537 5.113 0 40 HKAB CSc1nc(C)c(CCC(=O)Nc2cccc(Cl)c2SC(F)F)c(C)n1 58343322 ZECZBYZTTANJQY-UHFFFAOYSA-N 417.934 5.355 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 65552463 HJEZMHVMOYZYES-BGYRXZFFSA-N 415.622 5.287 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4cccc(Cl)c4)nccn3n2)cc1C 67289807 BXTGIZCZVBUDOC-UHFFFAOYSA-N 422.941 5.397 0 40 HKAB CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1N1CC=C(c2ccccc2)CC1 72328431 ANTNEDOKYWEXDP-UHFFFAOYSA-N 419.956 5.664 0 40 HKAB CC(C)(C)c1ccc(COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)cc1 100391482 RPMSVUMJKUKXQA-SZPZYZBQSA-N 419.521 5.021 0 40 HKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CSc2ncc(C(F)(F)F)cc2Cl)C1 102125526 WEYBWKICBLPHIZ-YVEFUNNKSA-N 406.901 5.273 0 40 HKAB CN(C)[C@H](C(=O)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(Cl)cc1 141547638 FRPSKCSJBNSQMF-NRFANRHFSA-N 421.953 5.858 0 40 HKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 216240573 JUOVKDXWUIZUEE-YSRWDZFWSA-N 423.984 6.604 0 40 HKAB Cc1cccc(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1C 223900518 JSNOCGAWIKMZBN-OQKWZONESA-N 405.925 5.693 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc(C)c1Br 224244181 APWUOKFKLVCWSZ-UHFFFAOYSA-N 424.294 5.983 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2ccc(C)c(C)c2)c1 224295554 POPGPOXJRORQIW-UHFFFAOYSA-N 417.549 6.268 0 40 HKAB Nc1c(-c2ccc(Cl)cc2)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1 225178037 PZGXESXNMAJYTL-UHFFFAOYSA-N 405.729 5.813 0 40 HKAB O=C(NCc1ccc(Oc2nccs2)cc1)C(c1ccccc1)c1ccccc1 225647525 UVNPPHWEJTXEAX-UHFFFAOYSA-N 400.503 5.384 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225750307 RWFCKOMORBZJCL-RUZDIDTESA-N 418.622 5.646 0 40 HKAB CCOC(=O)c1cc(NC(=O)C(CC(C)C)(CC(C)C)OC)ccc1O[C@H](C)CC 225798482 NYYFELAVNMCPFL-GOSISDBHSA-N 421.578 5.457 0 40 HKAB Cc1ccc2[nH]c(C(=O)N(CC(=O)O)Cc3ccc(F)cc3)c(-c3ccccc3)c2c1 257288850 PVYXAYKJOSXNQK-UHFFFAOYSA-N 416.452 5.009 0 40 HKAB O=C(C(=O)N1CCCCC1)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408571571 PBCINHCKOOTPTD-UHFFFAOYSA-N 415.320 5.192 0 40 HKAB Cc1ccccc1CNC(=S)c1cccc(OCc2ccc(Cl)cc2Cl)c1 408572056 FBAAPBIWTWIRCW-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 408576461 VGYZVUFBIJBCEE-ZRDIBKRKSA-N 417.336 5.662 0 40 HKAB Cc1ccc(Oc2ccc(C(=O)c3ccc(-c4ccc(F)c(Cl)c4)o3)cc2)cc1 408620951 NBEZNWOHNLQKAT-UHFFFAOYSA-N 406.840 7.071 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2cccc(C)c2C)nc1-c1cccc(Cl)c1 408696783 BTTZFTSGKZECSN-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccccc2)cc1C 408699632 VIIAGYAKMHKXOL-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)nn2-c2ccccc2)cc1 408724254 JAMPCUKANYXLEE-UHFFFAOYSA-N 422.315 6.407 0 40 HKAB O=C1Nc2ccccc2S/C1=C\c1ccc(OCc2ccc3c(c2)OCO3)cc1 409104083 DIDMEHCCMGMFMO-UUYOSTAYSA-N 403.459 5.080 0 40 HKAB Clc1cccc(COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2)c1 409122195 YMIIMKGZAVBSKB-UHFFFAOYSA-N 415.920 7.323 0 40 HKAB C[C@@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1c(F)cncc1F 561470995 WRNLCZFCNBHTMC-GFCCVEGCSA-N 406.354 5.537 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)C[S@](=O)[C@H](c1ccccc1)c1ccc(F)cc1 576055756 FSDNFGYAPRTWEF-DFHRPNOPSA-N 415.917 5.264 0 40 HKAB COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)c1 682366 RIUIAGFBPZFYOV-SECBINFHSA-N 404.677 5.070 0 40 HKAB COc1ccc(Cl)cc1NC(=O)CSc1nc(C)nc2sc(C)c(C)c12 784669 NJALKIDVNMVKBE-UHFFFAOYSA-N 407.948 5.009 0 40 HKAB COc1cc(NC(=O)c2cc3ccccc3o2)c(Cl)cc1NC(=O)c1ccccc1 802013 WKYJDDOTTRBFAU-UHFFFAOYSA-N 420.852 5.599 0 40 HKAB Cc1cccc(NC(=S)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCC2)c1 884933 ONLJWJPSELCATL-UHFFFAOYSA-N 405.567 5.287 0 40 HKAB Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1c1ccccc1 1094726 LFOUUAMYIOWYLU-QHCPKHFHSA-N 414.896 5.605 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 1102368 IUBBPYQQDQYKHZ-MRXNPFEDSA-N 406.869 5.124 0 40 HKAB Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2ccccn2)c2ccc(F)cc2)c1C 1298124 PGMOVKKQWIMAEY-NRFANRHFSA-N 421.497 5.946 0 40 HKAB Cc1ccc(N(CSc2ccc(Cl)cc2)CSc2ccc(Cl)cc2)cc1 1693740 FVPONDWGZCSNHX-UHFFFAOYSA-N 420.430 7.608 0 40 HKAB COc1ccc(NP(=O)(Oc2ccccc2OC)Oc2ccccc2OC)cc1 2067627 WOUVGEZQFBQYAP-UHFFFAOYSA-N 415.382 5.390 0 40 HKAB O=C(c1ccccc1)c1c(-c2ccccc2)oc(-c2ccc3ccccc3c2)nc1=O 2077765 MMTSVXAVRBUWMB-UHFFFAOYSA-N 403.437 5.753 0 40 HKAB CCOC(=S)SCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 2141300 XCDMUMALWRNYRC-UHFFFAOYSA-N 414.577 5.470 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccccc2F)cc1 2201727 ZMNLUODPNUBFEM-UHFFFAOYSA-N 418.468 5.070 0 40 HKAB CCCCCn1c(N)c(C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3nc21 2261390 NHRGHJOZPVDBHF-UHFFFAOYSA-N 407.905 5.263 0 40 HKAB Cc1ccc(-c2nn(CCC(=O)Nc3ccc(Cl)cc3)c(=O)c3ccccc23)cc1 2261577 INQPBNQOJSKTKP-UHFFFAOYSA-N 417.896 5.054 0 40 HKAB CC(C)(C)c1cc(CCC(=O)NCCc2c[nH]c3ccccc23)cc(C(C)(C)C)c1O 2285892 ATEJEVZDMWHKLE-UHFFFAOYSA-N 420.597 5.760 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 2348841 JTRDZJZSSLCNGI-UHFFFAOYSA-N 403.960 5.263 0 40 HKAB O=c1[nH]c(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)nc2ccsc12 3410276 FGCXGXSTSHYELN-UHFFFAOYSA-N 417.515 5.599 0 40 HKAB C[C@H]1CCC[C@@H](NCCc2ccccc2)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 4044055 IYSJJGZMQMNANX-FHYOZOBSSA-N 423.553 5.211 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1nc2c(cc3c4c(cccc42)CC3)s1 4134639 XUNOYMRTEYPHHV-UHFFFAOYSA-N 410.498 5.962 0 40 HKAB CCc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2Nc2ccc(F)cc2)cc1 4335255 XCXRHFSEKLIUDJ-UHFFFAOYSA-N 420.509 5.821 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 4424593 GPKWDRMEUXTLNI-LADGPHEKSA-N 420.896 5.600 0 40 HKAB CCCC[C@H](CC)CNC(=O)C[C@H](C)CC(=O)N(c1ccccc1)c1ccccc1 4681421 OBRIRISTWSJIRV-VXKWHMMOSA-N 408.586 6.100 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1C 4703862 YLGIQMGYAJXOCI-UHFFFAOYSA-N 414.505 6.253 0 40 HKAB c1ccc([C@@H]2C3=C(c4ccccc4CC3)N3c4ccccc4O[C@]34CCCC[C@H]24)cc1 4729858 SZOCNTHWLVFMCN-VQFWCGETSA-N 405.541 6.927 0 40 HKAB CCC(C)(C)[C@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4cccs4)cc3c2C1 4735758 JGRBKGITJSQXSZ-HNNXBMFYSA-N 417.596 6.145 0 40 HKAB CCCCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 4875252 BSHLAHDXXUPHTN-UHFFFAOYSA-N 409.479 5.345 0 40 HKAB CN(C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C1CCCCC1 4994112 DJMLPRGCZAEMAQ-UHFFFAOYSA-N 418.566 5.089 0 40 HKAB Cn1ccnc1Sc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12 5267520 HFKYRGUVMNGGBR-UHFFFAOYSA-N 401.520 5.305 0 40 HKAB CC(C)c1ccc(CN2C[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 5522910 ZBWKTONLUIDGGK-INIZCTEOSA-N 405.325 5.104 0 40 HKAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1ccccc1F)CCCC3 5548407 INPIUTXMPXRHGQ-UHFFFAOYSA-N 408.513 6.513 0 40 HKAB Cc1ccc(-c2csc(/C=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)n2)cc1 6049028 URKRKSHEDMPYHE-DHZHZOJOSA-N 412.341 7.856 0 40 HKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 6243328 GGXCFAJDPNOGQA-STRFDMGBSA-N 417.918 5.288 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4cccc(C)c4)c3)nc2c1 6440209 CZTGXPSMZCYZNR-GOSISDBHSA-N 414.505 6.334 0 40 HKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccc3ccccc23)cc1 6630415 MXEYGFGRGHFHIB-UHFFFAOYSA-N 410.473 5.259 0 40 HKAB Cc1cccnc1NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 6654401 ZCJFHVWJPFYWNV-UHFFFAOYSA-N 408.910 6.334 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)cc1 7073120 MGDHIOQRNJGSKN-GOSISDBHSA-N 414.505 6.334 0 40 HKAB CC[C@@H](C)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 8325932 IFUAMXXDINVNMY-GFCCVEGCSA-N 417.174 6.223 0 40 HKAB Cc1ccc(C)n1N(Cc1ccccc1Cl)C(=O)c1ccc(Cl)cc1Cl 8475563 LDUBRUIFVGGLFR-UHFFFAOYSA-N 407.728 6.044 0 40 HKAB Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2cccc(Cl)c2)cc1C 8476959 OJHBYFOKWAXKMY-UHFFFAOYSA-N 408.933 5.267 0 40 HKAB Cc1cccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2ccc(C)c(Cl)c2)c1 8476994 RLNWTSFIRJNMPV-UHFFFAOYSA-N 416.912 5.135 0 40 HKAB O=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)NCc1ccc(F)cc1 8685223 ZSDHNMVQPKZADS-UHFFFAOYSA-N 422.500 5.376 0 40 HKAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc2noc(-c3ccccc3)c2c1 9418882 MJORYNCUOFRRNW-UHFFFAOYSA-N 415.880 5.602 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 9666407 XMGADIXNEYCAEH-UHFFFAOYSA-N 420.563 5.343 0 40 HKAB CCOc1ccccc1NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 9867521 AQSPMMGQSXQCJH-UHFFFAOYSA-N 403.507 5.311 0 40 HKAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1sc2ccccc2c1Cl 10120065 CQZJYTNTRXRFFE-UHFFFAOYSA-N 418.905 6.539 0 40 HKAB CCc1ccc([C@@H]2Nc3ccc4ccccc4c3-c3c2c(=O)oc2ccccc32)cc1 12413287 MPWBHFRUBLANRR-MHZLTWQESA-N 403.481 6.691 0 40 HKAB biogenic,in-vitro O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1cccc(F)c1 12428756 BAQCRXRCOYWPMR-UHFFFAOYSA-N 401.224 6.193 0 40 HKAB CCn1c(SCc2c(-c3ccccc3)nc3ccccn23)nnc1-c1ccoc1C 12525424 QYAULINFJWLGHC-UHFFFAOYSA-N 415.522 5.473 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(-c2ccncc2)nc2ccccc12 12550978 VCQHBBZXMHPPHA-UHFFFAOYSA-N 415.496 5.816 0 40 HKAB O=C(NCc1nc2ccccc2n1Cc1ccccc1)c1ccc(Cl)cc1Cl 12622714 LJLMKFKETGFPGN-UHFFFAOYSA-N 410.304 5.321 0 40 HKAB C[C@H](NC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1)c1ccc(-n2ccnc2)cc1 12761970 HNDMIJNNFYRLLW-KXKDPZRNSA-N 418.497 5.026 0 40 HKAB O=C(Nc1ccc2oc3ccccc3c2c1)[C@H]1CCCN(C(=O)c2cccs2)C1 12913321 DCLPGTJLBOEMSG-HNNXBMFYSA-N 404.491 5.138 0 40 HKAB O=C(Cc1csc(-c2ccsc2)n1)N[C@@H]1CCSc2ccc(Cl)cc21 12944179 SBIODLVGENJWEL-OAHLLOKOSA-N 406.985 5.421 0 40 HKAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1 13042087 OXVLHMHGCBTABD-INIZCTEOSA-N 406.507 5.067 0 40 HKAB Cc1ccc(-c2nc(CSc3nnc(Cc4cccs4)n3C3CC3)cs2)cc1 13164954 HCPFTQHPKIYJSS-UHFFFAOYSA-N 424.620 5.990 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)c1nc(SCc2ccccc2)ncc1Cl 13629337 BROIGUSKEHAMQI-UHFFFAOYSA-N 424.740 5.981 0 40 HKAB C[C@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 14357796 FXJRPCMBLHLOGB-VIFPVBQESA-N 418.729 5.537 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1Cl 16313068 ADXUEGIHHYMMHJ-RMKNXTFCSA-N 406.696 6.867 0 40 HKAB O=C(Nc1ccc(F)cc1Cl)C1CCN(C(=O)c2cccc3ccccc23)CC1 16884676 GEURWKZPRIDPGG-UHFFFAOYSA-N 410.876 5.123 0 40 HKAB COc1ccccc1-c1nn(Cc2ccc(C)cc2)c(-c2ccccc2OC)c1Cl 17091711 CXBZEILTOFTXDV-UHFFFAOYSA-N 418.924 6.244 0 40 HKAB Cc1ccc(C)c(CSC2=NS(=O)(=O)c3ccccc3N2Cc2ccccc2)c1 21117592 WOHQSZZSHRJJHO-UHFFFAOYSA-N 422.575 5.302 0 40 HKAB COc1ccccc1OCCn1c([C@@H](C)Oc2cccc(C)c2)nc2ccccc21 21168491 KMXIMDGWVDBJDO-LJQANCHMSA-N 402.494 5.572 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc(N2CCCCC2)c(F)c1 21576281 RZRLXJBYDHOPRN-JLHYYAGUSA-N 408.448 5.867 0 40 HKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 22524040 UVSMCIIUPFEJAZ-IBGZPJMESA-N 416.521 5.146 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 22828262 XKVATFPUACFGGF-UHFFFAOYSA-N 405.542 5.289 0 40 HKAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2ccc(C(F)(F)F)nc2C)cc1 24757985 MTCJAQIAACUYSO-UHFFFAOYSA-N 413.443 5.209 0 40 HKAB CCc1ccc(OCc2nnc(S[C@H]3CCCC3=O)n2[C@@H](C)c2ccccc2)cc1 25053835 YXVSHQBEMJQNCX-JTSKRJEESA-N 421.566 5.243 0 40 HKAB FC(F)Sc1ccc(-[n+]2cc(-c3ccc(Cl)cc3)n3c2CCCCC3)cc1 27788623 LKAANERZQCOLQA-UHFFFAOYSA-N 405.921 6.126 0 40 HKAB Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cs2)cc1 27990454 PUPVEGLAKMZBSC-SFHVURJKSA-N 422.594 5.542 0 40 HKAB Cc1cc(OCC(=O)Nc2ccccc2NC(=O)c2ccccc2)cc(C)c1Cl 32593461 ZTARNZFMDVZEBF-UHFFFAOYSA-N 408.885 5.227 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](C)SCc2nc(-c3cccc(Cl)c3)no2)c1 32779109 WDTOKTBHSKECAD-AWEZNQCLSA-N 401.919 5.267 0 40 HKAB COc1ccc(-c2nc3ccccn3c2Nc2ccc(Br)cc2)cc1OC 35615991 VVKNXRLORPXAGT-UHFFFAOYSA-N 424.298 5.525 0 40 HKAB COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1Cl 46078471 YDQJXMWQIIYCHJ-UHFFFAOYSA-N 420.896 5.194 0 40 HKAB COc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1 46078881 HKHRVUCDAIOQSF-UHFFFAOYSA-N 420.896 5.194 0 40 HKAB Cc1ccc2c(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)cccc2n1 57315624 HZUGHEPZUJNZMF-JLHYYAGUSA-N 402.881 6.417 0 40 HKAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@H](c3ccc(C(C)C)cc3)N1CC2 57731881 NWQZVYPITFSCOZ-SXOMAYOGSA-N 414.549 5.899 0 40 HKAB Clc1nc2c(cc1CN1CCCCC1)c(-c1ccccc1)nn2-c1ccccc1 57740255 KCZLKZHGFKXSBM-UHFFFAOYSA-N 402.929 5.727 0 40 HKAB Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1ccc(NC2CCCCC2)cc1 58157899 CCUSIMVOHAYBFQ-UHFFFAOYSA-N 424.495 5.764 0 40 HKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(SC)cc3)oc12 67295976 MUPGPLDJFYQRFI-ATJXCDBQSA-N 423.519 5.105 0 40 HKAB COc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(C)cn1 67296627 CRPTVRSERLNXBJ-RWEWTDSWSA-N 419.868 5.283 0 40 HKAB C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CN2 70451129 XYNPYHXGMWJBLV-MFRNJXNGSA-N 415.662 5.367 0 40 HKAB biogenic,in-vitro CC1CCN(c2cc(NC(=O)c3ccccc3Br)c(Cl)cc2N)CC1 72229215 KTIOXUKAEVEYIW-UHFFFAOYSA-N 422.754 5.173 0 40 HKAB Cn1/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)sc2cc(Br)ccc21 100808997 ZLOXTWSBYRHASR-DYTRJAOYSA-N 403.345 5.041 0 40 HKAB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(O)=C2[C@H]1c1ccco1 102587737 AQDGLCZMSHGLTI-OYLFLEFRSA-N 402.450 5.833 0 40 HKAB CC1(C)CC2=NC(Nc3nc4ccccc4o3)=N[C@H](c3ccc(F)cc3)C2=C(O)C1 102678965 KQHOQQJYAYKPIU-HXUWFJFHSA-N 404.445 5.563 0 40 HKAB O=C1[C@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 136538659 OWXRIXNNWKJTDH-NEWJYFPISA-N 413.904 5.583 0 40 HKAB Cc1cc(C)c2[nH]c(C)c(CC(=O)Nc3cccc(CN4CCCC[C@@H]4C)c3)c2c1 141536187 LPPHXYRFLUTCPM-IBGZPJMESA-N 403.570 5.649 0 40 HKAB C[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)CCCC2 222903925 ZDSFTACEEANTEI-IBGZPJMESA-N 401.575 6.349 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223344885 DYKGPIUYJUTCGE-CYFREDJKSA-N 419.565 6.315 0 40 HKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CC)c2C)cc1 223793579 MCLCLLHASUDQDO-DHIUTWEWSA-N 420.582 5.096 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2ccc(Cl)cc2)c1 224159171 TXMAHTJSBBROKJ-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB COc1cccc(NC(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)c1 224349697 PGXGBHGBHZXMTG-UHFFFAOYSA-N 413.926 5.902 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1cccc(C)c1 224386361 IJCJJIJKJSDFCF-UHFFFAOYSA-N 407.535 5.947 0 40 HKAB Nc1c(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)nn1-c1ccc(Cl)cc1 225180360 IHZCRRHVCPWSRZ-UHFFFAOYSA-N 406.622 6.101 0 40 HKAB Cc1nccn1Cc1ccc(C(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)cc1 225296183 ZZIVURNNPYWGHU-HSZRJFAPSA-N 415.537 5.196 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc(-c2csc(-c3ccncc3)n2)cc1 225336320 WZVOLEDWAVWTRC-UHFFFAOYSA-N 417.490 5.142 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1Cl 225581469 LDFFUGCEVUWOKC-UHFFFAOYSA-N 408.325 5.469 0 40 HKAB Cc1cc(NC(=S)NCCCc2ccc(C(C)C)cc2)ccc1N1CCCC1=O 225807514 LSPBCMIKKFJJMW-UHFFFAOYSA-N 409.599 5.164 0 40 HKAB CCCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C 225869002 HBZISQSIEDFLGX-UHFFFAOYSA-N 400.950 6.063 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(N3Cc4ccccc4C3=O)cc2Br)c1 226287857 SJAIFFRMTCBTPY-UHFFFAOYSA-N 421.294 5.170 0 40 HKAB Cc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@H](C)[C@H]4C)ccc32)c1-c1ccc(F)cc1 253564324 GJQKMVLZFMXSTE-BXTJHSDWSA-N 404.489 5.156 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCCN2C(=O)c2cc(C(C)C)n[nH]2)n1 257339384 ZBLZJTYIRJFXFA-QHCPKHFHSA-N 406.505 5.410 0 40 HKAB CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 306121760 KZJWDPNRJALLNS-AFAADKLXSA-N 414.718 8.025 0 40 HKAB biogenic Cc1cc(S(=O)(=O)Nc2ccc(C(C)C)cc2)ccc1NC(=O)c1ccccc1 408602305 CVKKEIMQESHWAC-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(CSc2ccccc2)cc1 408681626 YYPYWZBSLFIVTE-UHFFFAOYSA-N 405.563 6.294 0 40 HKAB COC(=O)c1ccccc1NC(=O)c1sc2c(Cl)c(OC)ccc2c1Cl 408970360 GSWONINRGRWFTR-UHFFFAOYSA-N 410.278 5.256 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 409161011 SHGXOIPPADPZDF-UHFFFAOYSA-N 411.527 5.120 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(C(=O)OC(c3ccccc3)c3ccccc3)cc2)cc1 409176666 UPBCTQVFAVSMPK-UHFFFAOYSA-N 421.496 6.194 0 40 HKAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(CC2CC2)CC1 585166464 JZBNJOCWXDYZBI-UHFFFAOYSA-N 408.561 5.052 0 40 HKAB CC(C)c1cnc(Nc2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)s1 2037836029 LJPYHHRFBPPCDA-UHFFFAOYSA-N 402.564 5.520 0 40 HKAB CCn1c(-c2ccc(C)cc2)nn(CC(=O)Nc2cc(Cl)ccc2Cl)c1=S 639410 AXWBMHFDFUHIHJ-UHFFFAOYSA-N 421.353 5.355 0 40 HKAB O=C(Nc1cc(NC(=O)c2ccc(Br)o2)ccc1Cl)c1ccccc1 830119 GSDOTNOSLWRHES-UHFFFAOYSA-N 419.662 5.200 0 40 HKAB CC(=O)N(CC[C@@H](c1ccccc1)c1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1 1308361 VCXGIPXKFGZGLD-QHCPKHFHSA-N 421.924 5.639 0 40 HKAB Clc1cccc(Cl)c1CSc1nnc(-c2sccc2-n2cccc2)o1 1398818 NHKJHJCIEJFVLY-UHFFFAOYSA-N 408.335 6.188 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3o2)c(C)c1 2056945 SGPCJTYNGBRAPJ-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB COc1cccc(-c2nc(SCC(=O)Nc3ccccc3)c(-c3ccccc3)[nH]2)c1 2687078 JFJSIEDAONMSFL-UHFFFAOYSA-N 415.518 5.483 0 40 HKAB COc1ccccc1NC(=O)c1c(C)c(-c2ccc(Cl)cc2)nc2ccccc12 2738861 IIZAQTZHESQUMQ-UHFFFAOYSA-N 402.881 6.125 0 40 HKAB CCCCCCOc1ccc(-c2cn3nc(-c4ccccc4Cl)sc3n2)cc1 3204577 MOSOVICOVNXRTI-UHFFFAOYSA-N 411.958 6.737 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 3217615 NYPRCECKMQEKNW-UHFFFAOYSA-N 401.506 5.432 0 40 HKAB COc1cccc(-n2c(SCC(C)C)nc3sc4c(c3c2=O)CCCC4)c1 3291438 ZNMLWMOCTCQRAJ-UHFFFAOYSA-N 400.569 5.083 0 40 HKAB CCC(CC)c1nnc(NC(=O)CCN2c3ccccc3Sc3ccccc32)s1 3409637 GPMKUDGSZIWFOR-UHFFFAOYSA-N 424.595 6.073 0 40 HKAB CN(C)[C@@H](CNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccco1 3422974 XVLMFJKOECFLIO-FQEVSTJZSA-N 414.958 5.258 0 40 HKAB COc1ccc(CNCC[C@]2(c3ccc(C)cc3)CCO[C@@H](C(C)C)C2)cc1OC 4042710 GWPSIOLHWSVBIJ-FTJBHMTQSA-N 411.586 5.265 0 40 HKAB biogenic Cc1ccc(-c2csc3ncnc(Oc4ccc5c(C)cc(=O)oc5c4)c23)cc1C 4183302 XHQJLVRTWJOHQS-UHFFFAOYSA-N 414.486 6.182 0 40 HKAB O=C(CCc1ccccc1)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 4290424 PHKIOEQULVXICX-UHFFFAOYSA-N 420.848 5.777 0 40 HKAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccc(-c2ccccc2)cc1 4305156 HMTHIUNKYZVVSL-RUZDIDTESA-N 408.501 5.480 0 40 HKAB O=c1c2c(nc(SCc3ccccc3Cl)n1CCc1ccccc1)CCS2 4358806 CZIFFNVMXXRVQO-UHFFFAOYSA-N 414.983 5.080 0 40 HKAB CCN(CC)CCC[C@@H](C)N(Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 4428608 QEENPCKLFQIRPP-YKSBVNFPSA-N 403.010 5.386 0 40 HKAB Cc1ccc(COc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C)C5)cc2)cc1 4599082 FBUVSVMESOKNFF-MRXNPFEDSA-N 416.546 5.664 0 40 HKAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3cc(Cl)ccc3c3c2CCCC3)C1 4859079 CUKUAOUAQXWVAO-GJZGRUSLSA-N 402.991 5.364 0 40 HKAB O=C(O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1c(F)cccc1Cl 5109607 FHETUBCFEFOGNW-LJQANCHMSA-N 401.796 5.155 0 40 HKAB COc1ccc(-c2csc(NC(=O)CCSc3ccc(F)cc3)n2)cc1OC 5192639 OAPBDLBXVGGPCK-UHFFFAOYSA-N 418.515 5.087 0 40 HKAB Cn1c(NC(=O)c2ccco2)c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc21 5265454 AMJIWUJGFQBXJH-UHFFFAOYSA-N 412.367 5.070 0 40 HKAB CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 5478226 HXDKGWMHNCZTHM-QGZVFWFLSA-N 415.541 5.101 0 40 HKAB COc1ccccc1N(C(C)=O)c1nc(CSc2nc3ccccc3o2)cs1 5628657 FOYZTNXWAMMPOP-UHFFFAOYSA-N 411.508 5.270 0 40 HKAB CCc1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccc(OC)cc2)cc1 5694656 PSFHWPJQEIITAM-UHFFFAOYSA-N 417.534 5.327 0 40 HKAB CC[C@]12CCCN(Cc3ccccc3)[C@@H]1c1c([nH]c3ccccc13)[C@H](C(=O)OC)C2 5824322 IBFSIGFORJKEAJ-OLLUBJOZSA-N 402.538 5.562 0 40 HKAB CCc1ccc(NC(=O)CSc2nc3ccccc3n2-c2cccc(C)c2)cc1 6294644 AIXQSVXYNPKPQO-UHFFFAOYSA-N 401.535 5.627 0 40 HKAB COc1ccc(SCCCC(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 7597246 VLFPGKCFHQOJQJ-UHFFFAOYSA-N 410.564 5.428 0 40 HKAB Cc1nc(-c2cccc(NC(=O)c3ccc(OCc4cscn4)cc3)c2)cs1 8131143 QVWPSXFTYDACEX-UHFFFAOYSA-N 407.520 5.406 0 40 HKAB COc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)S[C@H]2c2ccc(C)cc2)cc1 8917127 XWSKJLMMZQOCGR-NLZIUFDSSA-N 421.949 6.477 0 40 HKAB O=C(c1ccccc1)c1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 9377995 RPEFDYINUSEWHU-NRFANRHFSA-N 412.514 5.505 0 40 HKAB CCc1ccc2oc(-c3cc(NC(=O)COc4ccc(C)cc4)ccc3O)nc2c1 9485654 GHSYJBUHGYAION-UHFFFAOYSA-N 402.450 5.089 0 40 HKAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 9707695 PNRMMDOINOGCSP-UHFFFAOYSA-N 422.531 5.009 0 40 HKAB C[C@@H](NC(=O)CSc1nnc(Nc2ccccc2F)s1)c1ccccc1Cl 10077291 NHYVGRREVFCBAZ-LLVKDONJSA-N 422.938 5.044 0 40 HKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 10333380 MFKMVLOONLLLHW-UHFFFAOYSA-N 406.570 5.572 0 40 HKAB O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)c1cccc(C(F)(F)F)c1 11617419 UGWJNGHCYZABPO-UHFFFAOYSA-N 418.227 5.783 0 40 HKAB COc1cc(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)cc(OC)c1 12748477 MDCCFOXNGAKOSD-UHFFFAOYSA-N 423.494 5.146 0 40 HKAB CCOc1c(OC)cccc1[C@H]1CN2C(=O)c3ccccc3[C@@H]2c2[nH]c3ccccc3c21 12886557 RGWGCRLKPYTZHF-CJFMBICVSA-N 424.500 5.266 0 40 HKAB biogenic CCOc1cc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc(Cl)c1OCC 13602160 CFHNYFUXNNGDNF-MOSHPQCFSA-N 421.880 5.635 0 40 HKAB C[C@H](Nc1ccccc1)[C@@H]1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 13759095 RJOCGTBCVRCQJS-WQTXXOFMSA-N 404.897 5.114 0 40 HKAB CCCOc1ccccc1/N=c1\ssc2c1-c1cc(OC)ccc1NC2(C)C 13773641 UOETXTGDVNKCGH-LNVKXUELSA-N 412.580 6.167 0 40 HKAB CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 15238778 HWDWMTULAIMSSW-OAHLLOKOSA-N 421.566 5.557 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)N2CCCC2)o1 15860472 JVTAYZPRBYBIHI-SFHVURJKSA-N 400.906 5.171 0 40 HKAB COc1cc(CNCc2ccccc2Cl)cc(Cl)c1OCc1ccccc1F 16195892 MYGORZXDRFKYHA-UHFFFAOYSA-N 420.311 6.010 0 40 HKAB COC(=O)c1c(NC(=S)Nc2ccc(O)cc2C)sc(C)c1-c1ccccc1 17089300 ITHVMQITCVICKY-UHFFFAOYSA-N 412.536 5.333 0 40 HKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2nc3ccccc3s2)c1Cl 17090409 YLCVWRVBCLJEQJ-UHFFFAOYSA-N 415.729 5.891 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 17092802 QGNLJSNEXJKKLB-HVRVZBDQSA-N 421.610 5.715 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)c1 17093868 BQKNZQORRXKREI-UHFFFAOYSA-N 424.456 5.918 0 40 HKAB COc1cc(CCC(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc(OC)c1 18239032 NPMRJTQRCKYHLZ-UHFFFAOYSA-N 407.466 5.076 0 40 HKAB CCc1ccc(CN2CCN(Cc3ccc4c(c3)c3ccccc3n4CC)CC2)cc1 19889961 ZQSGNJCMZDFONK-UHFFFAOYSA-N 411.593 5.695 0 40 HKAB Cc1ccc(CSCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 21954002 VQFJURPRVXTUCJ-UHFFFAOYSA-N 401.582 5.011 0 40 HKAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c(C)c1 22526030 NLNGVHKIIAOTAA-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1nc(COc2ccc(C(C)(C)C)cc2)sc1C(=O)Nc1ccc2c(c1)OCO2 27912548 KBCHZBJFJFGYSF-UHFFFAOYSA-N 424.522 5.309 0 40 HKAB Cc1ccccc1CSCCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 30865431 DDUMXACLLDISQU-UHFFFAOYSA-N 416.590 5.221 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)/C=C/c1ccc(F)cc1 32524931 LGCQGGKARVTRND-JLHYYAGUSA-N 411.908 5.013 0 40 HKAB COc1ccc(-c2nc(CSc3nc(-c4ccc(C)cc4)n[nH]3)cs2)cc1OC 32944907 YHGGQQPFXYVLEW-UHFFFAOYSA-N 424.551 5.213 0 40 HKAB Cc1ccc(-c2nc(-c3ccccc3OCC(=O)Nc3cccc(Cl)c3)no2)cc1 33325030 VSBGAWIFDWCZAR-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB Cc1ccc(-c2nc(C)c(-c3cc(C(=O)N4CCc5ccccc5C4)[nH]n3)s2)cc1 38486472 IURWDKZMWUEZSI-UHFFFAOYSA-N 414.534 5.016 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38859941 FMMJQICFWBCMGT-UHFFFAOYSA-N 419.396 6.276 0 40 HKAB C[C@@H](OC(=O)COC(c1ccccc1)c1ccccc1)c1nc2ccccc2s1 40161923 KYZXOWCOPHAJBJ-QGZVFWFLSA-N 403.503 5.707 0 40 HKAB Cc1[nH]c2c(C)cc(Cl)cc2c(=O)c1CN(Cc1ccccc1)Cc1ccccc1 54268703 YXFLLADEPASCTB-UHFFFAOYSA-N 416.952 6.001 0 40 HKAB CC(C)(NC(=O)c1ccc(NC(=O)c2ccco2)cc1)c1ccc(Cl)c(Cl)c1 58143010 FFDICSAURBZOER-UHFFFAOYSA-N 417.292 5.504 0 40 HKAB COc1cc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCCC2)ccc1OC(F)F 71285726 FXVZXBIOQQEING-MRXNPFEDSA-N 409.458 5.200 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(Sc3ccccc3)nc2)cc1 72217611 VQAQANALTGDGQR-NRFANRHFSA-N 410.564 5.067 0 40 HKAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ncccc2C)C12CCCCC2 72401627 QGKYOVWVBVELJU-NQIIRXRSSA-N 405.542 5.070 0 40 HKAB CC1(C)[C@H]2CC[C@@](CC(=O)O)(NC(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]1C2 72481835 VYOFHEZWSNWPCF-USUFYUJYSA-N 419.521 5.195 0 40 HKAB Cc1cc(S(=O)(=O)N(c2ccc3[nH]ccc3c2)[C@H](C)CC(C)C)cnc1Cl 84101603 LGVOAKALAFYRDX-OAHLLOKOSA-N 405.951 5.155 0 40 HKAB Cc1ccc(NC(=O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)cc1Cl 96315525 ZEMHJTCUQJBDQF-UHFFFAOYSA-N 411.889 5.753 0 40 HKAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CCCC1 96997821 JAVGTVXPPOSKHU-HOTGVXAUSA-N 407.398 5.755 0 40 HKAB CCOCCn1/c(=N/C(=O)CCSc2ccccc2)sc2cc(Cl)ccc21 100873766 PUCTTXPEGISKCI-XDOYNYLZSA-N 420.987 5.002 0 40 HKAB Fc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl 107027407 SZILVLHSYREWCO-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223343882 OGFCWJUEBATSSR-JXFKEZNVSA-N 403.950 5.815 0 40 HKAB CCOc1ccc(NC(=O)c2ccccc2-c2ncc(-c3cccc(OC)c3)o2)cc1 224901127 MKANCFKAKKOISX-UHFFFAOYSA-N 414.461 5.668 0 40 HKAB COCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1Cl 225549785 YXKMKLUNOQOUKE-UHFFFAOYSA-N 405.897 5.345 0 40 HKAB CCOc1ccc(C2(NC(=S)Nc3ccc(OC)c(Cl)c3)CCCC2)cc1 225853539 XANNUXZYWOPUIG-UHFFFAOYSA-N 404.963 5.503 0 40 HKAB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)/C=C\c5ccccc5)CC[C@@]43C)[C@H]1CCC2=O 253498491 BHWKXKHBCVBVDP-WYTOVKIYSA-N 418.577 6.144 0 40 HKAB CC(C)[C@@H]1CC[C@]2(CO)CC[C@@H]3[C@H](CC[C@@H]4[C@@]3(C)CC[C@@H]3[C@@H](C)[C@@H](O)CC[C@@]34C)[C@@H]12 253609774 QJWYZJIICBEFDU-NNVGKOOCSA-N 416.690 6.297 0 40 HKAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)o1 257218080 DBUNJILBBDISFK-LJQANCHMSA-N 416.477 5.040 0 40 HKAB Cc1ccnc(Nc2cc([C@@H]3CCCN(Cc4c[nH]c5ccccc45)C3)nc(C)n2)c1 257275973 NRUSEGFKOBNTOZ-LJQANCHMSA-N 412.541 5.093 0 40 HKAB O=C1CS[C@H](c2cccc(OCc3cccc(F)c3)c2)N1c1ccc(Cl)cc1 408558166 QFWOKGXFEXTBSA-JOCHJYFZSA-N 413.901 5.837 0 40 HKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccccc2F)nc1-c1ccc(F)cc1 408698629 OWELUIFMORKJPN-UHFFFAOYSA-N 424.838 5.427 0 40 HKAB COc1cc(-c2nc(O)c3c(C)c(C)sc3n2)ccc1OCc1cccc(F)c1 408735075 NOXZPUKODWRTAL-UHFFFAOYSA-N 410.470 5.407 0 40 HKAB CCc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccncc2)cc1 409099504 NVRAISGXTGUEKS-UHFFFAOYSA-N 406.942 5.837 0 40 HKAB Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2F)c1C 409111466 IVXULXYPIDEQGP-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB Cc1ccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)cc1C 409115888 IDDOZQGAXVEZDB-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB Cc1sc2nc(SCC(=O)c3ccc(F)cc3)n(-c3ccccc3)c(=O)c2c1C 950100 RPCADCLAVJAOJV-UHFFFAOYSA-N 424.522 5.178 0 40 HKAB O=C(COC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Cl)cc1 990957 ZAMUKXNFDCBWJN-UHFFFAOYSA-N 418.836 5.097 0 40 HKAB COc1ccc(CNc2c(-c3cc4cc(C)ccc4[nH]c3=O)nc3cccc(C)n23)cc1 1330254 UCUQVDCAYDHMLV-UHFFFAOYSA-N 424.504 5.080 0 40 HKAB COc1ccc(NC(=O)CSc2nc(C(C)C)nc3sc(C)c(C)c23)cc1 1340342 BHGXGGJSOJIRML-UHFFFAOYSA-N 401.557 5.171 0 40 HKAB c1ccc(-c2nc(N(c3ccccc3)c3ccccc3)s[n+]2-c2ccccc2)cc1 1820741 JPPMVRYMACPNAY-UHFFFAOYSA-N 406.534 6.557 0 40 HKAB Cc1ccc([C@H](CC(=O)N[C@@H]2CCOC(C)(C)C2)c2ccc(OC(C)C)cc2)cc1 2146151 FMJXDKAJJFRTMH-VWNXMTODSA-N 409.570 5.378 0 40 HKAB biogenic Clc1cccc(Cl)c1CSc1nnc(Cn2cnc(Cl)c2Cl)o1 2156733 OFMMZLGSPFVAGR-UHFFFAOYSA-N 410.113 5.220 0 40 HKAB Cc1cccc(OP(=O)(N[C@H](C)c2ccccc2)Oc2cccc(C)c2C)c1C 2291186 UTEINKIGRMKGCI-OAQYLSRUSA-N 409.466 6.837 0 40 HKAB CC(C)Oc1cccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2N)c1 2394047 BPMZQGQDKFJZKZ-UHFFFAOYSA-N 409.342 5.045 0 40 HKAB COc1ccc(Oc2c(C)oc3cc(OCc4ccccc4F)ccc3c2=O)cc1 2419004 GQMNZFINHNQVME-UHFFFAOYSA-N 406.409 5.620 0 40 HKAB biogenic O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 2679530 PDVOLNWQBSHCEZ-UHFFFAOYSA-N 403.731 5.178 0 40 HKAB CCOc1ccc(-c2csc(NC(=O)c3ccc(C)c(C)c3)c2C(=O)OC)cc1 2889738 XINUVOKDSNNQJX-UHFFFAOYSA-N 409.507 5.470 0 40 HKAB O=c1c2sccc2nc(SCc2ccccc2F)n1Cc1ccccc1F 2908996 VDBUTBUTZFGSKE-UHFFFAOYSA-N 400.475 5.077 0 40 HKAB Cc1cccc(C)c1N(C(=O)COc1ccc(Cl)cc1)c1nc2ccccc2s1 3236477 ZOMKMOCCSPRIOP-UHFFFAOYSA-N 422.937 6.310 0 40 HKAB O=S1(=O)c2ccccc2N[C@@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccccc1 3633442 AZLCFWXQPXOFSA-HXUWFJFHSA-N 419.333 5.309 0 40 HKAB CC[C@H](C(=O)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12)c1ccccc1 4267529 KWUNUCXCKRRHCZ-IBGZPJMESA-N 416.452 5.957 0 40 HKAB Cc1ccc(-n2ncc3c(NC4CCCCCCCCCCC4)ncnc32)c(C)c1 4659340 MDRWVPJGCOMDQQ-UHFFFAOYSA-N 405.590 6.518 0 40 HKAB Cc1ccc(-n2ncc3c(NC(c4ccccc4)c4ccccc4)ncnc32)c(C)c1 4659362 MFNFNTYLEQETRP-UHFFFAOYSA-N 405.505 5.634 0 40 HKAB CCOc1ccccc1C(=O)Nc1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1Cl 4659768 RXISBWXTSYUWCW-UHFFFAOYSA-N 422.912 5.860 0 40 HKAB Cc1ccc2nc(-c3ccccc3)nc(S[C@H](C)C(=O)NC3CCCCC3)c2c1 4897866 DFZGLKMLTQEOPN-QGZVFWFLSA-N 405.567 5.535 0 40 HKAB CCSc1nc2c(c3nnc(SCC(C)C)n13)C1(CCCC1)Cc1ccccc1-2 5046944 NZGCQGNIXIFBLX-UHFFFAOYSA-N 424.639 6.019 0 40 HKAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)n2)cc1 5210940 CICSKYLXEAVYFT-QGZVFWFLSA-N 414.534 5.566 0 40 HKAB CCSc1nc(NCCCN(CC)CC)c2c3c(sc2n1)CO[C@@](C)(CC)C3 5215577 FOMUKPAOHOSUHR-NRFANRHFSA-N 422.664 5.189 0 40 HKAB Brc1ccc(C2=C[C@@H](c3cccc4ccccc34)[C@H]3N=NNC3=N2)cc1 6147412 MSEFQYCCXCIQEH-AZUAARDMSA-N 403.283 5.478 0 40 HKAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CNc2cccc(C)c2C)cc1 6268163 BOCWUYBYLOSNCY-VWLOTQADSA-N 413.521 5.102 0 40 HKAB COc1ccc(C)cc1-n1nnnc1SCC(=O)c1ccc(C2CCCCC2)cc1 6501744 XLFJNAWUDLPDHF-UHFFFAOYSA-N 422.554 5.002 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 7401758 AYPFICPFPJNNAO-UHFFFAOYSA-N 410.602 5.595 0 40 HKAB Cc1n[nH]c2c1[C@@H](c1ccc(C(C)C)cc1)N(c1ccc(Br)cc1)C2=O 8024942 FOZPVKQTECUYBD-HXUWFJFHSA-N 410.315 5.354 0 40 HKAB CCc1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)C(C(=O)OC)=C2C)cc1 8085550 RLXZUTSAKMZZHP-ATVHPVEESA-N 416.304 5.433 0 40 HKAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 8433661 RAPNXRYKBZQULP-UHFFFAOYSA-N 403.478 5.399 0 40 HKAB Cc1cc(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1Cl 8586634 SVONWZDRNLQANQ-UHFFFAOYSA-N 400.931 5.043 0 40 HKAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3c(F)cccc3F)cc21 8959939 KZWCRGURCMWWFW-UHFFFAOYSA-N 416.468 5.015 0 40 HKAB O=c1[nH]c(CSc2ccc3c(c2)OCCCO3)nc2scc(-c3ccccc3)c12 9167693 ISIOLVZHQXOOQH-UHFFFAOYSA-N 422.531 5.105 0 40 HKAB CCc1cccc2sc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)nc12 10381540 DCAASZORQQBTTF-MDZDMXLPSA-N 422.579 5.253 0 40 HKAB Cc1ccc(C)c(OCC(=O)Nc2c(-c3ccc(F)cc3)nc3cc(C)ccn23)c1 12568028 BUBFFGADEBKGEE-UHFFFAOYSA-N 403.457 5.083 0 40 HKAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1 12630729 MKANYNKOCMLUEN-FQEVSTJZSA-N 409.411 5.296 0 40 HKAB CCN(CC)[C@@H](CNc1ncnc2sc3c(c12)CCC3)c1ccccc1Cl 13040020 NZWHWIRMTXHWIQ-KRWDZBQOSA-N 400.979 5.328 0 40 HKAB CCC(=O)N(c1nnc(SCC(=O)c2ccc(-c3ccccc3)cc2)s1)C1CC1 13120837 STWPZHOZOITQMH-UHFFFAOYSA-N 423.563 5.086 0 40 HKAB CC[C@@H]1CCCCN1C(=O)[C@H](C)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 14160063 BJXJWFCVTOYHJQ-WAOWUJCRSA-N 409.599 5.131 0 40 HKAB Oc1cc(O)cc(CCC/C=C\CCCCCCCCCc2cc(O)cc(O)c2)c1 14773836 PFIQXUYXVYYERO-ALCCZGGFSA-N 412.570 6.751 0 40 HKAB biogenic,in-vitro Clc1ccc(COc2ccc(Cl)cc2CNC[C@H]2CCCO2)c(Cl)c1 16384998 GLZUXFPVLGSRHS-QGZVFWFLSA-N 400.733 5.494 0 40 HKAB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 17091277 KNKUTDPRJNRUJK-UHFFFAOYSA-N 417.943 5.030 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1 17092047 QOXBEOOPBFGBEN-UHFFFAOYSA-N 419.956 5.223 0 40 HKAB Clc1ccc(CNCc2cn(Cc3ccccc3)nc2-c2cccnc2)c(Cl)c1 17310644 URNHKSZKHOXHMQ-UHFFFAOYSA-N 423.347 5.590 0 40 HKAB Cc1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)ccc1-c1ccc(CO)o1 20151679 REIYZQPAIQBHCY-UHFFFAOYSA-N 422.550 5.172 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2cccc(Cl)c2)sc2c1CCCC2 20452965 SMDHEOVWEWLKNA-INIZCTEOSA-N 421.946 5.253 0 40 HKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1C 20454220 DXKLNUFPJGLGOV-HSZRJFAPSA-N 409.526 6.223 0 40 HKAB CCOC(=O)C1=C(c2ccc(F)cc2)Nc2nc3ccccc3n2[C@@H]1c1ccccc1 21005725 QVDVNSJPCMIFAF-HSZRJFAPSA-N 413.452 5.165 0 40 HKAB COc1ccc(N2C[C@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2CCCCC3)cc1 22408628 KUMHIOXCBVEJJT-MHZLTWQESA-N 413.541 5.013 0 40 HKAB COc1ccc(-c2nn3c(Nc4ccc(C)c(C)c4)cc(C)nc3c2C)cc1OC 23118875 TZDXRZLVQFAQFP-UHFFFAOYSA-N 402.498 5.391 0 40 HKAB CC(C)[C@H](NCc1nc(-c2cccc(Br)c2)no1)c1ccc(Cl)cc1 24982066 SFOHYBQTXYVIPU-SFHVURJKSA-N 420.738 5.639 0 40 HKAB CCc1ccc(OCc2nnc(S[C@@H]3CCCC3=O)n2[C@H](C)c2ccccc2)cc1 25053841 YXVSHQBEMJQNCX-VGOFRKELSA-N 421.566 5.243 0 40 HKAB CCN1CCN(c2ccc(NC(=O)CSc3ccc4ccccc4c3)c(C)c2)CC1 25185289 BZOIFJPPKDHEKB-UHFFFAOYSA-N 419.594 5.021 0 40 HKAB COc1cc(CN[C@H](C)c2ccccn2)ccc1OCc1cccc(C(F)(F)F)c1 25358934 OYVMJNBMLNSFLY-MRXNPFEDSA-N 416.443 5.539 0 40 HKAB Cc1ccc(NC(=O)c2nc(SCc3ccccc3)ncc2Br)cc1 27662413 XWJFBJGPUNVUDM-UHFFFAOYSA-N 414.328 5.092 0 40 HKAB O=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1ccccc1Br 28220893 TXJHQXUDEVRVCU-UHFFFAOYSA-N 406.283 5.099 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cccc(CN2CCOCC2)c1 30868014 OZSGQAHSUGIQPT-UHFFFAOYSA-N 422.912 5.217 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(C)cc4F)cc3)n2)cc1 32578897 WVONSJCCMQZYKE-UHFFFAOYSA-N 417.440 5.177 0 40 HKAB CCOc1ccc(N(Cc2cccnc2)c2nc(-c3ccc(C)cc3)cs2)cc1 39359689 VQPWYDAYEIDSCP-UHFFFAOYSA-N 401.535 6.251 0 40 HKAB O=C(c1cccnc1SC1CCCC1)N1CCC(c2nc3ccccc3s2)CC1 40156599 CPGHWBMOEDGULD-UHFFFAOYSA-N 423.607 5.746 0 40 HKAB Cc1ccc2oc(-c3cc(NC(=O)c4ccccc4Br)ccc3O)nc2c1 41085978 NAEAVGULJRKYKR-UHFFFAOYSA-N 423.266 5.524 0 40 HKAB Cc1ccc(C)c(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 44947892 YFGBYSFVFXUQIQ-UHFFFAOYSA-N 414.549 6.034 0 40 HKAB CCCCn1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2ccsc2c1=O 57426424 BSXDQBGSGQYCBV-UHFFFAOYSA-N 415.584 5.112 0 40 HKAB Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@H](C)c1ccccc1 58439765 QADHYJBIIRQSOF-CYBMUJFWSA-N 416.905 5.592 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]3O 71281172 OYXZMSRRJOYLLO-XIVKUWEPSA-N 402.663 6.360 0 40 HKAB CC(C)n1c([C@@H](C)NC(=O)c2cc(Cl)ccc2Br)nc2ccccc21 72290242 GRXUQQFEDOSQMC-GFCCVEGCSA-N 420.738 5.524 0 40 HKAB Cc1cccc(Nc2cccc([C@@H]3CCCN3C(=O)c3cc4ccc(F)cc4[nH]3)n2)n1 72375493 OYJFNIJJMYWTNC-NRFANRHFSA-N 415.472 5.126 0 40 HKAB O=C(CCc1cccc(Cl)c1)N1CCC[C@@H]1c1cccc(Nc2ccc(F)cn2)n1 72375627 KYAHVRBJGQPFBE-HXUWFJFHSA-N 424.907 5.309 0 40 HKAB Cc1ccc(C)c(N2C(=O)[C@H]3[C@@H](c4ccccc4)C=C[C@H](c4ccccc4)[C@@H]3C2=O)c1 100050352 NEZLLAPYDIROPG-OSNGURLVSA-N 407.513 5.546 0 40 HKAB O=C1C(Nc2ccccc2)=C[C@@H](c2cccc(Br)c2)N1c1ccccc1 103753467 KQIFUFRWNRGQTP-NRFANRHFSA-N 405.295 5.533 0 40 HKAB O=C(NC(=S)Nc1ccccc1Cl)c1sc2cc(Cl)ccc2c1Cl 107911171 JAUOUYMNIZCMLW-UHFFFAOYSA-N 415.754 5.988 0 40 HKAB CC(=O)[C@@H]1C[C@H](O)C[C@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)[C@]21C 118916750 GJWTZEMFQOBISH-GDJHPLLLSA-N 418.618 5.322 0 40 HKAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 216493800 MPZZGACQLRLHAK-HXOBKFHXSA-N 420.484 5.113 0 40 HKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2ccccc2)c1C 222899695 BWSBJSUPSPTQSG-GOTSBHOMSA-N 404.583 5.180 0 40 HKAB C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc2c(c1)CCCC2 222955460 QFHFKZBGDJVIGT-CYBMUJFWSA-N 422.750 5.238 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccc(Cl)cc1 224158487 ADDLIAUYOUMTQH-UHFFFAOYSA-N 420.267 5.972 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc(OC)c(C)c1 224278687 KLPLQABDOKNKGF-INOOMSPWSA-N 419.952 6.465 0 40 HKAB CCCOC1(C(=O)Nc2cc(C)c(OCc3ccccc3)c(C)c2)CCCCCC1 225660406 PLXLSBLTXUEAHT-UHFFFAOYSA-N 409.570 6.341 0 40 HKAB COC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)ccc1OC(C)C 225759728 IXAFNTQLCXKRAW-UHFFFAOYSA-N 409.526 5.409 0 40 HKAB CC(=O)[C@H](C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(c1ccccc1)c1ccccc1 245240318 PBSTWIYTCPQRBP-MNVNNWCQSA-N 406.566 6.028 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@@H](Nc1ccccn1)C(Cl)(Cl)Cl 254789390 PQOGPQCDZDICOM-IXYNUQLISA-N 422.784 5.377 0 40 HKAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc(Cl)c1OC 260775141 PLWZYKJNRRUCJQ-ZOCIIQOWSA-N 417.962 5.122 0 40 HKAB Fc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1Cl 408606505 IGXDNHJKFGSMAZ-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB CCOc1cc(C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OCC 408620357 MAFOLECXDJKVDI-UHFFFAOYSA-N 412.711 5.461 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2ccc(Cl)cc2)cc1 408697195 FWGWNBTZOIYTGD-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2cccc(C)c2C)c1 408699162 RRSQGXZYOQDBJN-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB C[C@H](SCc1ccccc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 408920785 MWULEVZRCASOFN-AWEZNQCLSA-N 414.423 5.665 0 40 HKAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2Cl)cc1C 409087678 JJLLEOZISHXMCU-UHFFFAOYSA-N 421.353 5.230 0 40 HKAB Cc1cccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccncc2)c1 409101806 WPSCSIGMJXPGGA-UHFFFAOYSA-N 408.530 6.083 0 40 HKAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(C(C)C)cc2)C1=O 409159411 ZUBNJRVYJSCXSA-XDHOZWIPSA-N 408.523 5.102 0 40 HKAB Cc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409178734 HVUQFMLULNUMCY-VAOGHPRRSA-N 422.572 6.222 0 40 HKAB Fc1ccc(COc2ccc(CNc3ccc(Cl)cc3)cc2Br)cc1 409181751 DDZUWTHVVNNWSW-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB Cc1cccc(C(=O)Oc2ccccc2/C=C2\N=C(c3ccccc3Cl)OC2=O)c1 409192187 VJNAVROSKASKPQ-ZHZULCJRSA-N 417.848 5.212 0 40 HKAB Fc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 409196430 VDJNQKWCQYSMOK-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB CC(C)=CCC[C@@]1(C)Oc2c(-c3cccc(C(=O)O)c3)cccc2[C@@H]2OCCC[C@H]21 585265629 NBADFERONBHAOD-KTIWRFAQSA-N 406.522 6.417 0 40 HKAB CCC(CC)CN1CCCCCCCN(C(=O)C(C)C)c2ccc(C(=O)O)cc2C1 643582985 CLNIYRWHAZMQEW-UHFFFAOYSA-N 416.606 5.576 0 40 HKAB Cc1cc(Oc2coc3cc(OC(=O)c4ccco4)ccc3c2=O)cc(C)c1Cl 950727 ROIGAWCTYPESBO-UHFFFAOYSA-N 410.809 5.668 0 40 HKAB biogenic,in-vitro Cc1ccc(C(C)C)c(OCc2nc3c4c5c(sc4ncn3n2)COC(C)(C)C5)c1 1293931 CRUDTTXKWRVJCI-UHFFFAOYSA-N 422.554 5.201 0 40 HKAB CCOc1cc(-c2cccs2)c/c(=N\c2ccc(C)c(C)c2)c2c(C)oc(C)c12 2101059 DKKDTQBOFSWQQD-YYADALCUSA-N 403.547 7.026 0 40 HKAB biogenic O=C1c2cccc3cccc(c23)[C@@H]1C(c1ccccc1)[C@@H]1C(=O)c2cccc3cccc1c23 2184575 YKIFECBUSDHHTD-FQLXRVMXSA-N 424.499 7.037 0 40 HKAB Cc1ccc2c(c1)N(C(=O)/C=C/c1ccco1)C(C)(C)C[C@]2(C)c1ccc(Cl)cc1 2202692 WRHZTXLNLCLNBA-FXXWNWNUSA-N 419.952 6.776 0 40 HKAB CCCc1nc2sc3c(SC/C=C(/C)Cl)ncnc3c2c2c1CCCC2 2316556 SEAQAHYCRXEQHJ-XFXZXTDPSA-N 404.004 6.306 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cc(C)ccc2C)cc1 2336732 HFAFHDXASWKMRN-UHFFFAOYSA-N 414.505 5.158 0 40 HKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)Nc1ccccc1Cl 2725913 DYBUQLHDTOYUBK-UHFFFAOYSA-N 423.900 5.820 0 40 HKAB CC(C)OC(=O)c1c(NC(=O)COc2ccc3ccccc3c2)sc2c1CCCC2 2745999 CJHJQVCBIGCQBP-UHFFFAOYSA-N 423.534 5.363 0 40 HKAB COc1ccc(NC(=O)N[C@@H](c2ccc(C)c(F)c2)C(Cl)(Cl)Cl)cc1 3191032 ILJVMZFYQRMHPC-HNNXBMFYSA-N 405.684 5.376 0 40 HKAB O=C(CN1CCc2ccccc21)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 3257566 DMXKKVJRWOINMI-UHFFFAOYSA-N 411.530 5.478 0 40 HKAB COC(=O)c1cccc(NC(=O)CCN2c3ccccc3Sc3ccccc32)c1 3359519 HNSPOAIZUNXVGD-UHFFFAOYSA-N 404.491 5.105 0 40 HKAB Cc1ccc(C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccc(C)s2)s1 4414424 QCNYQGHQHXZULT-UHFFFAOYSA-N 412.664 7.907 0 40 HKAB Cc1ccccc1N1C(=O)c2ccccc2N[C@@]1(C)CCc1ccc2c(c1)OCO2 4543506 ACNDUGQOWQDDLN-RUZDIDTESA-N 400.478 5.145 0 40 HKAB CC(C)n1c2ccccc2c2nnc(SCCCC(=O)c3ccc(F)cc3)nc21 4698205 NRRNGMPSLYPEAN-UHFFFAOYSA-N 408.502 5.455 0 40 HKAB CC(C)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc45)=NN32)cc1 4834594 PBJNLUYKGSEFIB-YTMVLYRLSA-N 418.540 7.206 0 40 HKAB CC[C@]1(C)CC[C@H]2[C@H](CC[C@H]3[C@](C)(C(=O)OC)CCC[C@]23C)C12SCCS2 5104645 OYCPIYLGNKGHOM-IVDWBNGSSA-N 410.689 6.385 0 40 HKAB Fc1ccccc1[C@@H]1CC(C(c2ccccc2)c2ccccc2)=Nc2ccccc2S1 5890670 DTDNGKVZYFPYFW-MHZLTWQESA-N 423.556 7.967 0 40 HKAB COc1cc(NC(=O)COc2ccc(C(C)C)cc2)ccc1NC(=O)c1cccs1 6190869 QUMKXQIPVAYAKB-UHFFFAOYSA-N 424.522 5.150 0 40 HKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(F)cc4)cc3n2)cc1 6264761 VORXVFODVISZPK-UHFFFAOYSA-N 402.473 5.463 0 40 HKAB CC(C)c1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccco3)c2c1 6670273 YHVMGWFFNYIZNS-UHFFFAOYSA-N 413.429 6.175 0 40 HKAB biogenic CN(Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1)Cc1ccccc1F 7004408 BYMSKQUTKSRJNK-UHFFFAOYSA-N 413.905 5.076 0 40 HKAB COc1ccc(-c2nc(C(=O)N[C@H](C)c3cc4ccccc4o3)cs2)cc1OC 7116522 JWCXVFXGITVRAX-CYBMUJFWSA-N 408.479 5.065 0 40 HKAB CC(=O)c1ccc(N(C(=O)COc2cccc(C)c2)c2nc3ccccc3s2)cc1 7593672 DLKMWVLFZCVEGT-UHFFFAOYSA-N 416.502 5.551 0 40 HKAB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 7882095 DTHYSPICFVHKML-PZJWPPBQSA-N 414.505 5.336 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)[C@@H](C)CC[C@@]4(C)[C@@H]3CC[C@@]12C 8298476 GWWAUGFEXKPHIM-LFTLWYAASA-N 401.723 7.790 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)o2)cc1C 8319640 YSSDFRMJUHDVNF-UHFFFAOYSA-N 417.892 7.261 0 40 HKAB O=C(OC1CCCCC1)c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 8904112 YDZPOQMQHPTPNN-UHFFFAOYSA-N 423.896 6.342 0 40 HKAB O=C(COc1ccc(Br)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 9360232 JNTSPHOKGOXVGB-UHFFFAOYSA-N 422.282 5.010 0 40 HKAB COc1cccc(CN(C)C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1OC 9460068 OYZNVHWPWFDXPT-UHFFFAOYSA-N 419.399 5.255 0 40 HKAB C[C@H](NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)nc2ccccc12)c1ccc(F)cc1 9647132 OPZWCDIIHZKXNX-NWDGAFQWSA-N 423.435 5.146 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120071 IBTWWDBHMJHBBN-UHFFFAOYSA-N 408.910 5.803 0 40 HKAB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1Cl 12023020 ALMVOJPBIQGKBV-UHFFFAOYSA-N 401.897 5.182 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN[C@@H](C)c4ccccc4Cl)[nH]c(=O)c23)cc1 12804671 GAWWWMZEQCTZRL-AWEZNQCLSA-N 423.969 5.773 0 40 HKAB C[C@H](OC(=O)Nc1ccccc1)c1cccc([C@@H](C)OC(=O)Nc2ccccc2)c1 13402578 MSZCLYCQZRSVME-HDICACEKSA-N 404.466 6.306 0 40 HKAB biogenic O=C(COc1ccccc1)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 14135929 YLRMBVDOWYADSY-UHFFFAOYSA-N 410.300 6.258 0 40 HKAB COc1cc(Cl)c(C)cc1Nc1ncnc2scc(-c3ccc(Cl)cc3)c12 14359430 YEZDPAYKMCRGJE-UHFFFAOYSA-N 416.333 6.726 0 40 HKAB Cc1ccc(SCCNC(=O)c2ccccc2Nc2cccc3ccccc23)cc1 16310993 AOXPYUNFCGQPCS-UHFFFAOYSA-N 412.558 6.414 0 40 HKAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc(-c2ccncc2)nc2ccccc12 16740467 BWZAICFEIMPNJE-UHFFFAOYSA-N 416.484 6.293 0 40 HKAB CCOC(=O)[C@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757591 IWQDMFVHZKYRGF-FQEVSTJZSA-N 417.534 5.521 0 40 HKAB CC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 16758067 UTRCCHGCHXXHOL-MRXNPFEDSA-N 421.953 6.119 0 40 HKAB Cc1c(Cl)cccc1NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 16899414 QXUCNEOMXHFVDZ-HNNXBMFYSA-N 414.836 5.109 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 17091189 RMVGRTDUBKDBLX-UHFFFAOYSA-N 417.559 5.707 0 40 HKAB Cc1ccc(NC(=O)[C@H](C)Oc2cccc(C(F)(F)F)c2)c(-c2cc(C)n[nH]2)c1 19661617 QWWWLLFWIONCGF-AWEZNQCLSA-N 403.404 5.118 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)COc3cc(C)ccc3C(C)C)ccc21 20497730 VGDRSDDOWMRORC-UHFFFAOYSA-N 400.522 6.264 0 40 HKAB COc1ccc(-c2cc(CN3CCc4sccc4[C@@H]3c3cccs3)on2)cc1 22096325 NPRLFHNBHSDLLW-JOCHJYFZSA-N 408.548 5.621 0 40 HKAB Cc1noc(C)c1COc1ccc(CC(=O)N2CC[C@H](C)Sc3ccccc32)cc1 22256825 AOFFMANSXSCUMZ-INIZCTEOSA-N 422.550 5.330 0 40 HKAB O=C(CSCc1ccccc1Cl)Nc1nnc(SCc2ccccc2)s1 26767922 ZRZPQKSJURUBLF-UHFFFAOYSA-N 422.000 5.356 0 40 HKAB COc1ccc(-c2c(C)nn3c(Nc4ccc(C)c(Cl)c4)cc(C)nc23)cc1OC 27585407 TUMVOTSAGZKCJT-UHFFFAOYSA-N 422.916 5.736 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)C1(c2ccccc2)CCCC1 30822855 YXNGBQDEPXMHTL-UHFFFAOYSA-N 417.896 5.994 0 40 HKAB O=C(Nc1ccccc1Br)c1cc(-c2ccccn2)nc2ccccc12 32089178 UWPKQKGGZHNARH-UHFFFAOYSA-N 404.267 5.312 0 40 HKAB CC(C)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38856721 AYCGYJFCQABDAK-UHFFFAOYSA-N 405.369 5.968 0 40 HKAB CC1(C)COc2c(-c3ccccc3)nc3sc4c(N5CCCC5)ncnc4c3c2C1 39321604 WSVZGNJMHAKBSN-UHFFFAOYSA-N 416.550 5.468 0 40 HKAB CN(C(=O)c1cccnc1Oc1ccc(F)cc1Br)c1ccccc1 40142955 JOPOHQHUUNCQAE-UHFFFAOYSA-N 401.235 5.052 0 40 HKAB C[C@@H]1Cc2ccccc2N1c1nc2nccc(/C=C/c3ccc(Cl)cc3)c2c(=O)[nH]1 40388437 RUJNPTCLCFWTIK-RZIFZGNASA-N 414.896 5.225 0 40 HKAB Brc1ccc2c(Br)c(OCCC3CCNCC3)ccc2c1 42770328 KNHZPBUSTAVMHB-UHFFFAOYSA-N 413.153 5.133 0 40 HKAB COc1ccc(-c2cnc(SCc3ccc(F)cc3)n2-c2ccc(C)cc2)cc1 44086496 XAOWCAXIPMRMBC-UHFFFAOYSA-N 404.510 6.288 0 40 HKAB C1=C(c2ccccc2)Sc2nc3ccccc3n2[C@@H]1NC12CC3CC(CC(C3)C1)C2 57576175 QOFFTRXDOYSPKN-XJVZSZGSSA-N 413.590 6.240 0 40 HKAB Oc1nc(CSc2ccc(Cl)c(C(F)(F)F)c2)nc2c1oc1ccccc12 61132656 RAMFKTOOAMUNFA-UHFFFAOYSA-N 410.804 6.046 0 40 HKAB C[C@@H]1CC2=C(N=C3SCC(=O)N3[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 67172434 XELTXHVYKDGUON-INNMCQONSA-N 422.500 5.719 0 40 HKAB Brc1ccccc1-c1nnc2sc(C34CC5CC(CC(C5)C3)C4)nn12 80346405 FSMKIBBQCPOPIY-UHFFFAOYSA-N 415.360 5.083 0 40 HKAB Fc1ccc(CN2CCC(c3nc4ccc(-c5cccc(F)c5)cn4n3)CC2)cc1 96038201 VFDBXWJHLYKCBV-UHFFFAOYSA-N 404.464 5.054 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)c1 101024264 VWJPXUHZNKBLOL-IMWZJCIKSA-N 423.940 5.603 0 40 HKAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)[C@H]1C=C[C@H]2C1=C1C2CC3CC(C2)CC1C3 102954153 QAEZXYJFCPDXSK-GOUBCVKPSA-N 405.925 5.014 0 40 HKAB CNC(=O)CC[C@]1(C)[C@@H](O)CC[C@@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]21 104303570 NQHLWIQKUHZEBA-KZULOBMKSA-N 419.694 6.195 0 40 HKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O 215106941 GRHVVGJDTARGAL-UZPSYVQNSA-N 419.905 5.893 0 40 HKAB COc1ccc(Cl)cc1NC(=O)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219341341 UAPFFWSVFSYIRH-GOSISDBHSA-N 412.889 5.339 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=O)CCCSc1ccc(Cl)cc1)CC(C)(C)O2 222695514 PGHYSZFMOVFIFI-LJQANCHMSA-N 419.974 5.640 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)cc2)cc1CSc1ccc(Cl)cc1 224347569 GRDYXVLSMXKZCC-UHFFFAOYSA-N 401.890 6.032 0 40 HKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 224562166 RYMOTQMSHSHKAE-GOTSBHOMSA-N 418.566 5.184 0 40 HKAB O=C(c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1)N1CCc2ccccc2C1 224964178 LZHAKGNFOSVGED-UHFFFAOYSA-N 414.892 5.861 0 40 HKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225703898 YJSYRUXMQKOADK-PXDATVDWSA-N 418.622 5.501 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c2ccccc12 225764856 BMDINMKPADNDKB-UHFFFAOYSA-N 421.968 7.121 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2ccccc12 225776877 RXSNNBKYPCLYNY-UHFFFAOYSA-N 421.512 5.845 0 40 HKAB COC(=O)c1cccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)c1 225862715 MGEBTZPRLNZONU-UHFFFAOYSA-N 422.472 5.248 0 40 HKAB CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1 226341225 DAYSBFFOBDISLN-BQYQJAHWSA-N 413.670 5.397 0 40 HKAB CC(C)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408621223 KRAFIJISWMOXKQ-FMIVXFBMSA-N 400.305 7.029 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1OCC 408623251 RWKMYZGHGDBNHX-UHFFFAOYSA-N 406.320 5.587 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nc2-c2ccccc2)c1 408698782 PNGYLCLPWKWOOC-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1C 408812910 PVAZTHCAWVJYSJ-XSXPQHRMSA-N 421.586 6.058 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1sc2cc(Cl)ccc2c1Cl 408969543 PWEPGTZCZDMLRT-UHFFFAOYSA-N 424.658 7.133 0 40 HKAB Cc1ccc(C(=O)Oc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 408975073 JPCQABHQMGTSBA-UHFFFAOYSA-N 416.480 6.491 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 409091204 RKQWKIAYZJXHPV-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB CCCCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(C)c(C)c1 409109367 CHAINZRUNSEAEC-UHFFFAOYSA-N 400.613 6.217 0 40 HKAB CCc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccccc2)cc1 409120536 WHYNLDKGVPVANC-UHFFFAOYSA-N 401.535 5.668 0 40 HKAB COc1ccc(-c2cc(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c(C)o2)cc1OC 409319153 BEBOAUYPCJXIIL-BTVKBFDZSA-N 423.553 5.607 0 40 HKAB CCN1C(=O)S/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)C1=O 409364124 VHXGLZQXFKDYLQ-OCKHKDLRSA-N 414.889 5.538 0 40 HKAB Cc1ccc(N2C(N)=C(C(N)=O)[C@@H](c3ccc(Cl)cc3)C3=C2CC(C)(C)CC3)cc1 715078 CXGNLQHEQRGCBN-NRFANRHFSA-N 421.972 5.372 0 40 HKAB COc1cc(OC)cc(C(=O)N2CC[C@]3(Cl)CCCC[C@H]3[C@@H]2c2ccccc2)c1 1236019 HLWRCSWXRBUKBS-WPFOTENUSA-N 413.945 5.459 0 40 HKAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCc3ccc(C(=O)OC)cc3)cc12 1240830 BJWVWJFHTNRPLL-UHFFFAOYSA-N 410.466 5.273 0 40 HKAB biogenic CCc1ccccc1NC(=S)N1CCN(c2nc(-c3ccc(C)cc3)cs2)CC1 1349718 BUBIBTGDIRMJCY-UHFFFAOYSA-N 422.623 5.200 0 40 HKAB Cc1ccc2cc(CN(C(=O)Nc3ccccc3Cl)C3CCCC3)c(=O)[nH]c2c1 1352740 VYMMZALVHYJPIG-UHFFFAOYSA-N 409.917 5.467 0 40 HKAB CCOc1cc2c(cc1[C@H](C)c1ccc(OCc3ccccc3)c(OC)c1)OCO2 1582287 AEWCRSLKHLNMAM-QGZVFWFLSA-N 406.478 5.553 0 40 HKAB SC1=NC2=C(CSC/C2=C/c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1 1643680 CQMQYXXDMVGBTN-WAFIBAPDSA-N 419.402 6.008 0 40 HKAB Cc1c(OC(=O)c2ccccc2Cl)cccc1OC(=O)c1ccccc1Cl 1839394 NRDVHIJMNMDZLJ-UHFFFAOYSA-N 401.245 5.740 0 40 HKAB COc1ccc(-c2cc(=O)oc3cc(C)cc(OCC(=O)c4ccccc4)c23)cc1 2121388 MUBKHCDOPHHYNT-UHFFFAOYSA-N 400.430 5.039 0 40 HKAB biogenic Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2)sc1C 2198714 DNDDOPZEDVZPSO-SFHVURJKSA-N 422.893 5.270 0 40 HKAB O=C([C@H](Sc1ccccc1)c1ccccc1)N1c2ccccc2CCc2ccccc21 2286573 IMSLAEJOOQJVEN-HHHXNRCGSA-N 421.565 6.984 0 40 HKAB CC1=C[C@@H](C)C(COC(=O)Nc2ccccc2)(COC(=O)Nc2ccccc2)[C@H](C)C1 2288843 MFOHDHYQLDNSFR-WOJBJXKFSA-N 422.525 6.092 0 40 HKAB CCOc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3ccc(Cl)c(F)c3)c1-2 2318433 GVTFPHUGRWAGKB-NMWGTECJSA-N 420.962 6.561 0 40 HKAB Cc1c(Cl)cccc1Nc1nc(N)nc(CSc2nc3ccccc3s2)n1 2359149 UCVUJYQEJMQJJY-UHFFFAOYSA-N 414.947 5.061 0 40 HKAB aggregator CCSc1ccccc1NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N 2488414 BIGJWNZTCPLWTR-UHFFFAOYSA-N 406.536 5.305 0 40 HKAB Cc1c(-c2ccc(F)cc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(F)cc1 2733403 BWTYRGZIJMXPQF-UHFFFAOYSA-N 415.270 7.100 0 40 HKAB Cc1cc(Br)cc(C)c1NC(=S)Nc1ccc(-c2ccccc2)cc1 3315124 UWEQRLSTKODPND-UHFFFAOYSA-N 411.368 6.542 0 40 HKAB Fc1ccc(OCCSc2nnc(Cc3cccs3)n2C2CCCCC2)cc1 3328599 DQAFZYZDGMQOED-UHFFFAOYSA-N 417.575 5.746 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1cc(C(C)(C)C)cc(C(C)(C)C)c1 3336521 DWMGYDZZSHECQV-UHFFFAOYSA-N 402.962 6.698 0 40 HKAB COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1NC(=O)c1cccc(F)c1 3406969 FSNRKGIAKMOTHH-UHFFFAOYSA-N 412.848 5.301 0 40 HKAB O=C(c1cc(-c2nc3ccccc3s2)c2nc3ccccc3n2c1)c1ccccc1O 3418798 CTUFWUDSVQKJQF-UHFFFAOYSA-N 421.481 5.701 0 40 HKAB CC[C@@H](c1ccccc1)[C@@](O)(c1ccc(OCCN2CCCC2)cc1)c1ccco1 3846964 MMNKRZBIPYLJRJ-AHWVRZQESA-N 405.538 5.184 0 40 HKAB biogenic Cc1cc(N2C[C@@H](C(=O)Nc3ccc(C(F)(F)F)cc3)CC2=O)ccc1C(C)C 4105563 GWDBQETZKLEMKV-HNNXBMFYSA-N 404.432 5.129 0 40 HKAB CC(C)n1c(/C=C(/OC(=O)c2ccc(F)cc2)c2ccc(F)cc2)nc2ccccc21 4114778 MQAHWRNROLQWMU-HZHRSRAPSA-N 418.443 6.251 0 40 HKAB Cc1[nH]c2ccccc2c1[C@@H]1C(c2ccccc2)=NN=C(c2ccc(Cl)cc2)N1O 4452518 ZWIGUWJWTOFAJQ-HSZRJFAPSA-N 414.896 5.727 0 40 HKAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OCc4ccccc4)cc2)N3)C1 4556172 UVSBQYXFATVMHN-JOCHJYFZSA-N 419.550 5.134 0 40 HKAB Clc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccccc2)cc1 4674881 VMQDNNFVWUNSDG-UHFFFAOYSA-N 405.954 6.313 0 40 HKAB CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)C=C[C@H](c4ccccc4)[C@@H]3C2=O)cc1 4697524 QVHCBIHNSPQTPJ-XPGKHFPBSA-N 423.512 5.328 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc1 4838601 RPWTWOHTVFJWAI-UHFFFAOYSA-N 406.913 6.142 0 40 HKAB CN(C)CC(C)(C)CNc1cc(-c2ccccc2)nc2cc(-c3cccc(F)c3)nn12 4980565 DPDBLWCYWVGDDJ-UHFFFAOYSA-N 417.532 5.202 0 40 HKAB CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 5092441 LWRBYPZAAZEDAP-AREMUKBSSA-N 423.560 5.709 0 40 HKAB CCSc1ccccc1C(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 5240704 HIYHNTQXJGUGFC-UHFFFAOYSA-N 400.525 5.192 0 40 HKAB COCCOc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)cc1Cl 5355863 UYUQNXVHNBKOFC-UHFFFAOYSA-N 409.096 5.578 0 40 HKAB Cc1ccc2[nH]c(S[C@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)nc2c1 5356380 GGUZLQAARUXOQU-SNVBAGLBSA-N 413.852 5.663 0 40 HKAB CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(OCC)cc2)cc1 5484373 OSNUHDRVHMXWKS-GOSISDBHSA-N 413.514 5.228 0 40 HKAB COc1ccc(-n2c(SCc3nc4ccccc4s3)nc3ccccc32)cc1 6160543 PZBXMGUIHWOKIA-UHFFFAOYSA-N 403.532 5.936 0 40 HKAB Cc1cccc(-n2c(SCC(=O)N3CCCc4ccccc43)nc3ccccc32)c1 6315316 UYELXMAONKTSAO-UHFFFAOYSA-N 413.546 5.405 0 40 HKAB COc1ccccc1-n1cnnc1SCc1csc(-c2ccccc2Cl)n1 6534830 KBVQUWDEWNFXKC-UHFFFAOYSA-N 414.943 5.345 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)CC(C)C)cc3)nc2c1 6713227 AYUAIUCGFUPOJK-OAHLLOKOSA-N 409.555 5.867 0 40 HKAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 7974624 LKYCFTSSJDJGOZ-KNEUKCCGSA-N 408.542 5.205 0 40 HKAB COCCn1c(SCc2cccc3ccccc23)nnc1-c1ccc(Cl)cc1 8230455 UVNVBODOFWOBFO-UHFFFAOYSA-N 409.942 5.690 0 40 HKAB O=C(Cc1csc(-c2cccc(F)c2)n1)N[C@@H](c1ccc(Cl)cc1)C1CC1 8312776 ZDPRBUSOFNPSLB-HXUWFJFHSA-N 400.906 5.413 0 40 HKAB CCCOc1c(-c2cc(Br)c(OC)c(OC)c2)oc2ccccc2c1=O 8799043 NGDJUUCDDZHXKH-UHFFFAOYSA-N 419.271 5.029 0 40 HKAB COc1ccc(NC(=O)Cc2csc(SCc3ccc(F)cc3)n2)cc1Cl 8854211 YSWFKOVPIVXDNG-UHFFFAOYSA-N 422.934 5.418 0 40 HKAB Clc1ccc(-c2nnc(Nc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 9067784 UJXNHGXPPVHYJE-UHFFFAOYSA-N 400.696 7.001 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 9226468 RRQDQJWAGQEPOG-UHFFFAOYSA-N 400.434 5.011 0 40 HKAB Cc1ccc(-n2nc(C)c3c2N=C(O)CS[C@@H]3c2ccc(Cl)cc2Cl)cc1 9307836 NNWMOPQZWJJMBH-LJQANCHMSA-N 418.349 6.220 0 40 HKAB Clc1c(CSc2nnc(-c3ccccc3)o2)nc2ccc(Br)cn12 9494854 NCDVMURYTIFAMC-UHFFFAOYSA-N 421.707 5.093 0 40 HKAB Cc1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1-c1cc2ccccc2oc1=O 10128873 ZITAXSORFINZIT-XNTDXEJSSA-N 423.512 6.544 0 40 HKAB COc1ccc(SCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 10219209 YWUUGXZGXGWWNW-UHFFFAOYSA-N 406.532 5.703 0 40 HKAB Cc1nc(-c2nc(NCCCc3ccccn3)ncc2-c2ccsc2)sc1C 12222924 VRBBMOOYJWWGKH-UHFFFAOYSA-N 407.568 5.385 0 40 HKAB CN1/C(=C\C(=S)NC(=O)c2ccc(Cl)cc2Cl)C(C)(C)c2ccccc21 12524320 SBOMSYPEOABPRT-BOPFTXTBSA-N 405.350 5.362 0 40 HKAB O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccc(Oc2ccccc2)cc1 12637966 SHRMLUJIIWZJST-UHFFFAOYSA-N 418.543 6.333 0 40 HKAB CN(Cc1ccc(Cl)cc1)Cn1nc(COc2ccc(Cl)cc2)oc1=S 13072898 AYAWBLISZWIKNT-UHFFFAOYSA-N 410.326 5.181 0 40 HKAB CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1 13207087 YPKKHNJWQAOVJN-HSZRJFAPSA-N 410.473 5.057 0 40 HKAB CCc1nc(C)cn1[P@@](=O)(Oc1ccccc1)OC1CC(C)(C)N(O)C(C)(C)C1 13207502 VXWUJDLRHASQPI-GDLZYMKVSA-N 421.478 5.217 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1ccccc1F)N(C(=O)Nc1ccccc1)CC2 13691494 VTPXPICMHDLMEP-QHCPKHFHSA-N 406.457 5.023 0 40 HKAB c1ccc(-n2c(SCc3coc(-c4cccs4)n3)nnc2N2CCCCC2)cc1 14095602 NEZYHIZDGIDEML-UHFFFAOYSA-N 423.567 5.266 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc(C)c1Cl 14398328 AFOQVEZCUWDWCG-LLVKDONJSA-N 406.231 6.035 0 40 HKAB CCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1 16751169 RXIVCVWSPOPXEA-QFIPXVFZSA-N 405.494 5.317 0 40 HKAB O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccc(Cl)c(Cl)c1 17092873 VMTVBHFDQRZGEN-UHFFFAOYSA-N 422.106 5.022 0 40 HKAB COc1cccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3ccccc3Cl)oc12 17130879 FZVFOHMBORPLSA-VYIQYICTSA-N 401.853 5.871 0 40 HKAB C1=C[C@H](c2ccccc2)c2c(-c3ccccc3)oc(-c3ccccc3)c2[C@@H]1c1ccccc1 17146076 LPPKTYKSMWNKPR-HNRBIFIRSA-N 424.543 8.447 0 40 HKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3cc4ccccc4o3)c2)cc1 19690687 COMDKDUNSIEVNV-HSZRJFAPSA-N 412.489 5.789 0 40 HKAB Cc1nc(CC(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)cs1 21364106 IHBSFNZEDLXAHZ-UHFFFAOYSA-N 423.538 5.490 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)CSc4ccc(Cl)cc4)ccc3o2)c1 21579234 WLBVGOVVXAFFPI-UHFFFAOYSA-N 424.909 5.888 0 40 HKAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccc(Br)s2)c1 25092588 JKQMBWNXSCNAPJ-UHFFFAOYSA-N 416.300 5.407 0 40 HKAB Cc1ccc(-c2csc(NC(=O)CCCc3nc(-c4ccccc4)no3)n2)cc1 27447963 QVSUOSHJBOVPHQ-UHFFFAOYSA-N 404.495 5.130 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)N(Cc2cccs2)c2ccccn2)cc(C)c1Cl 27739954 XTXWILXZZVXQET-INIZCTEOSA-N 400.931 5.414 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccccc1OCc1nc(-c2ccccc2)no1 32578522 BPFBYPRUPOVARK-UHFFFAOYSA-N 405.841 5.221 0 40 HKAB CCn1c(SCc2nc(-c3cccc(Cl)c3)oc2C)nc2ccccc2c1=O 32984644 CIVUSINACMLSKL-UHFFFAOYSA-N 411.914 5.326 0 40 HKAB Cc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3CC(C)C)c(C)o2)cc1 32984664 CTRUAYUJTSYLGO-UHFFFAOYSA-N 419.550 5.617 0 40 HKAB Cc1ccc(NC(=O)COc2ccccc2-c2noc(-c3cccc(Cl)c3)n2)cc1 33324964 COASNHVMGBRKSD-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB Cn1nc(C(F)(F)F)c(/C=C\c2nc(-c3ccc(C(C)(C)C)cc3)no2)c1Cl 33376525 AUELYMQDYJQSAX-KTKRTIGZSA-N 410.827 5.610 0 40 HKAB O=C1C[C@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)c(Cl)c1 36635911 PSQZNRDCVMLTNU-AWEZNQCLSA-N 404.080 5.044 0 40 HKAB COc1ccc(-c2cc(=O)n3c4ccccc4n(Cc4cccc(Cl)c4)c3n2)cc1 40485137 BRBZWRZFRLQGEP-UHFFFAOYSA-N 415.880 5.027 0 40 HKAB Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(C)c1 44934917 RGUJFYVXHRKRJL-KRWDZBQOSA-N 419.396 5.700 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c(C)c1 44934925 PGUIPJVMSGDVLA-QGZVFWFLSA-N 419.396 5.700 0 40 HKAB Cc1cc(C)c(NC(=O)[C@H](C)Nc2ccc(N3CCSCC3)cc2C)c(Cl)c1 51186438 PMWIMSAWGMPARB-KRWDZBQOSA-N 418.006 5.258 0 40 HKAB FC(F)(F)c1nc2cc3c(cc2n1CCOc1cccc2ccccc12)OCCO3 64814479 NLFBNHBNGOYUQT-UHFFFAOYSA-N 414.383 5.059 0 40 HKAB S=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1cccc2nccnc12 72314567 VSJNAZFDHLMHDM-JOCHJYFZSA-N 409.518 5.178 0 40 HKAB CC[C@H](NC(=O)c1ccc(Cl)cc1)c1noc(-c2cccc(Br)c2)n1 84734906 ZWKSAVMKFNSCLC-HNNXBMFYSA-N 420.694 5.034 0 40 HKAB CCSC1=NC2(CCN(C(=O)Nc3ccccc3)CC2)N=C1c1ccc(C)c(C)c1 96399195 OBXITXAXYFMYMT-UHFFFAOYSA-N 420.582 5.282 0 40 HKAB Cc1cc(C)c(N2C(=O)[C@@H]3[C@@H](c4ccccc4)C=C[C@@H](c4ccccc4)[C@H]3C2=O)c(C)c1 101127787 DFQXSXPRPJMBGK-XDZVQPMWSA-N 421.540 5.855 0 40 HKAB CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1 106720344 LXLKUAPWDDDODM-UCQKPKSFSA-N 417.530 6.111 0 40 HKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4cccc(C(=O)O)c4)o3)N21 222712889 KNPOPJMDJSIINL-ZLGUVYLKSA-N 419.506 5.019 0 40 HKAB Cc1c([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n(-c2cccc(Cl)c2)c1C 222726388 LDUKCDACFQKMOF-SFTDATJTSA-N 410.974 5.053 0 40 HKAB CC(C)Oc1ccc(CCCNC(=O)CSCc2ccc(Cl)cc2F)cc1 223562712 RXYFFNJZLWHQJA-UHFFFAOYSA-N 409.954 5.249 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1ccccc1C 224371979 DCJHROGIGCXCRQ-UHFFFAOYSA-N 411.501 6.378 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccccc1C(C)C 224564185 YKXNKVLTZFTFHN-UHFFFAOYSA-N 417.549 6.657 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1)c1ccccc1 225303998 LNWGQFNEKJDGLX-KRWDZBQOSA-N 406.913 5.402 0 40 HKAB CCCCn1c(SCc2ccc(Cl)cc2)nc2c(-c3ccccc3)c[nH]c2c1=O 225547868 LTLRVLDHRRBZNW-UHFFFAOYSA-N 423.969 6.137 0 40 HKAB COc1ccc(C2(C(=O)Nc3ccc(OC4CCCC4)c(C)c3)CCOCC2)cc1 225585012 AJPANPLVECCTAS-UHFFFAOYSA-N 409.526 5.012 0 40 HKAB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1C(=O)OC 225823245 IBYBBUWBEVXBTJ-UHFFFAOYSA-N 407.551 5.068 0 40 HKAB CCCc1cc(C(=O)N2CCC[C@H](c3cc(-c4cccc(OC)c4)cc(C)n3)C2)no1 257226174 FJLVDCFWLHCTRS-IBGZPJMESA-N 419.525 5.026 0 40 HKAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260816724 OIWNDTWEBBBVDP-YKSBVNFPSA-N 404.595 5.254 0 40 HKAB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 408642702 PNVCHMYHFGXWOE-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB O=C(CCCOc1ccc(Cl)cc1)NCCSCc1c(F)cccc1Cl 408705791 NOAGRZNZWSFBDZ-UHFFFAOYSA-N 416.345 5.341 0 40 HKAB COc1ccc(Br)c2c1-c1nc(Nc3ccccc3C)sc1CC2 408880428 JUMPNYMABKBBLU-UHFFFAOYSA-N 401.329 5.732 0 40 HKAB COc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1 409119197 RKFKZHGJVRIIKR-UHFFFAOYSA-N 416.348 6.810 0 40 HKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 409174396 RXDQPZGBQJTHHR-LJQANCHMSA-N 407.604 6.715 0 40 HKAB COc1c(Cl)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409217370 PPOUGOYMEZDOCM-VGOFMYFVSA-N 414.697 5.896 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Cc2ccncc2)cc1 706649 RAXPWDWAEVRBQD-UHFFFAOYSA-N 403.869 5.542 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c(C)c1 1868239 DYVXXXULRAHWIH-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1ccc(F)cc1F)CO2 2122957 SJCNGHMUPUOZPK-UHFFFAOYSA-N 405.400 5.403 0 40 HKAB biogenic COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2324386 FRKUVFRVEMJAME-JOCHJYFZSA-N 406.570 5.712 0 40 HKAB CC(C)OP(=O)(OC(C)C)C(Cl)(Cl)P(=O)(OC(C)C)OC(C)C 2560565 OMTPMIYCEZYHFY-UHFFFAOYSA-N 413.215 6.162 0 40 HKAB in-vitro COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c(OC)c1 3107724 OVKZYGNHKWFJNN-UHFFFAOYSA-N 416.502 5.747 0 40 HKAB CCOC(=O)c1nc(Cl)c(Cl)c(Nc2ccc(N(CC)CC)cc2)c1Cl 3618330 BQLVBDJOHCZZGQ-UHFFFAOYSA-N 416.736 5.808 0 40 HKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2nc(-c3cccs3)cs2)cc1 4135001 PVNTYNSIJXEOMT-UHFFFAOYSA-N 401.582 5.296 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl 4545777 OUTXWHNKLCHHLR-RVZJCZPVSA-N 415.942 6.062 0 40 HKAB CCOc1ccc(/C=C/c2nn(-c3ccc(Cl)cc3)c3c(=O)ccccc23)cc1 4667328 PVMJOCWERPFYHH-CXUHLZMHSA-N 402.881 5.608 0 40 HKAB CCOc1ccc([C@@H]2Oc3c(OCC)cccc3[C@@H]3CC(c4cccs4)=NN32)cc1 4715725 KAGQOPCFJSHNBV-RDPSFJRHSA-N 420.534 5.788 0 40 HKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1Cl 4851647 RLWWCYVNQZLORH-ZDUSSCGKSA-N 400.396 5.524 0 40 HKAB Nc1c(C(=O)Nc2ccccc2N2CCCCC2)sc2nc3ccccc3cc12 4929844 IROYXFLLILGHME-UHFFFAOYSA-N 402.523 5.274 0 40 HKAB O=C(COc1ccc(Oc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 4950000 SXLDIGUGSRLCIQ-UHFFFAOYSA-N 401.506 5.339 0 40 HKAB Cc1cccc(Cn2c([C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)nc3ccccc32)c1 5235922 ZRIUQXGONOVQFB-JOCHJYFZSA-N 409.533 5.530 0 40 HKAB Cc1cccc(Oc2nc(SCc3ccc(Cl)cc3)nc3c2CCCC3)c1C 5748124 MZKLDRUGUDPCEV-UHFFFAOYSA-N 410.970 6.710 0 40 HKAB CCCCOc1cccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)c1 5978441 CPFPKUIPEGPKJZ-UHFFFAOYSA-N 413.326 5.005 0 40 HKAB Cc1ccc(NC(=O)[C@@H](Sc2nnc3ccccn23)c2ccccc2)cc1Cl 6114717 QKSQZVFPBADISG-IBGZPJMESA-N 408.914 5.163 0 40 HKAB Clc1cccc(Cl)c1CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 6242406 MFUVDGAXQWNAIM-UHFFFAOYSA-N 412.341 7.608 0 40 HKAB Cc1ccc(OCC(=O)Oc2cc(-c3ccccc3)c3oc(=O)sc3c2)cc1C 6809653 LRCPFEKVRBXGKJ-UHFFFAOYSA-N 406.459 5.123 0 40 HKAB CCOc1cc(CNCc2ccccn2)cc(Cl)c1OCc1ccccc1F 6870235 GTHLCFYNNHMFSP-UHFFFAOYSA-N 400.881 5.142 0 40 HKAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)C1C[C@@H]2CCC[C@H](C1)C2=O 7780453 JCALPWBXVZRLRY-WPJJKBOASA-N 415.489 5.031 0 40 HKAB COc1ccc(C2=NN(c3c(F)c(F)cc(F)c3F)[C@@H](c3ccc(F)cc3)C2)cc1 8443616 BOZHCDLFAOKUHU-LJQANCHMSA-N 418.365 5.746 0 40 HKAB COc1ccc(CCNCc2cccc(OCc3ccc(Cl)cc3)c2)cc1OC 8493640 AHZRAVSZELTQHD-UHFFFAOYSA-N 411.929 5.269 0 40 HKAB CCCc1nc2sc3c(NCc4ccccn4)nc(SC)nc3c2c2c1CCC2 8628406 WESUAQXVZXORJU-UHFFFAOYSA-N 421.595 5.410 0 40 HKAB Cn1c2ccccc2c2c([C@H]3Nc4ccccc4C(=O)N3Cc3ccco3)cccc21 8783590 AAFHTWNYNXPRDW-VWLOTQADSA-N 407.473 5.691 0 40 HKAB COc1ccc(Br)cc1CN(C)[C@H](C)c1nnc(-c2ccc(C)cc2)o1 8936110 YLKSVHSGXFTCBJ-CQSZACIVSA-N 416.319 5.009 0 40 HKAB CC(C)(C)c1ccc(OCc2nnc(NC(=O)c3ccc4ccccc4c3)s2)cc1 9164742 XFYSKELCNWBEKF-UHFFFAOYSA-N 417.534 5.820 0 40 HKAB CCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)NC(=O)[C@@H](C)S4)n2)cc1 9515013 ZGUICSQHBMEWJR-GFCCVEGCSA-N 409.536 5.058 0 40 HKAB O=C1CCCN1c1ccc(Oc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 9576181 PIHKFFCJPZWTGM-UHFFFAOYSA-N 405.454 5.417 0 40 HKAB CC(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 10338499 JMPMAOOEIOLVHT-FQEVSTJZSA-N 414.549 5.872 0 40 HKAB C[C@H](CCN1CCC([C@@H](NC(=O)C(C)(C)C)c2nccs2)CC1)c1ccccc1 12365693 KZCMAQIGRNAGQX-WIYYLYMNSA-N 413.631 5.252 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 12600040 GTFGNMZOJWMSTK-CYBMUJFWSA-N 418.324 5.476 0 40 HKAB COc1ccc([C@H](C)NC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1F 12924939 KYZJDYDMPZKUKH-HNNXBMFYSA-N 417.440 5.042 0 40 HKAB Cn1ccnc1SCC(=O)N1c2ccccc2[C@@](C)(c2ccccc2)CC1(C)C 13756723 CSKUHYUIBBLQID-XMMPIXPASA-N 405.567 5.034 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(Br)cc1 13946068 CPMPGXDIZPVANC-UHFFFAOYSA-N 423.335 6.287 0 40 HKAB CCOc1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1Br 14649600 YPWWSWFCNVQLFC-UHFFFAOYSA-N 406.320 5.163 0 40 HKAB O=C(Nc1ccc(Cl)cc1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 16524883 YTSJVJMMFYZIPT-UHFFFAOYSA-N 420.843 7.194 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)cc4Cl)nccn3n2)cc1 17051611 UVPGAGOGUVMGAQ-UHFFFAOYSA-N 422.941 5.397 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cccc(Br)c4)ccc3o2)c1 17092585 JLSJZJDLHPFQQH-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB Cc1nnc2n1C[C@H](c1cccc(C(=O)Nc3ccccc3Oc3ccccc3)c1)CC2 19698191 WLGJKPWTDUPKDM-OAQYLSRUSA-N 424.504 5.361 0 40 HKAB O[C@](CNCc1ccc(Cl)c(Cl)c1)(c1ccccc1)c1ccc(Cl)cc1 20219111 QFDUAGXNYOOMPH-OAQYLSRUSA-N 406.740 5.673 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 20241893 VQWVXUHAOWHOGW-UHFFFAOYSA-N 418.968 6.047 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)c4ccc(C(C)C)cc4)ccc3o2)cc1OC 20411913 UNGMLKJPRMJLSU-UHFFFAOYSA-N 416.477 5.888 0 40 HKAB Cc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 20418851 SUWYEUYOVLZZGO-FQEVSTJZSA-N 418.884 5.610 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 20610388 LIRWBTZFPZXZPQ-LHHJGKSTSA-N 400.457 5.335 0 40 HKAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCCCC2)[C@@H]1c1cccs1 20904260 YXVWRDWPQXHAHQ-YADHBBJMSA-N 410.583 5.134 0 40 HKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(C)c2)cc1 20970087 HPVPUPMLSRTGRP-VWLOTQADSA-N 422.532 5.835 0 40 HKAB CCOc1ccc(-c2nc(C[S@@](=O)Cc3cc(C)ccc3C)cs2)cc1OC 58130972 WHNBSECNPJGHPZ-MUUNZHRXSA-N 415.580 5.283 0 40 HKAB Cc1noc2nc(-c3ccco3)cc(C(=O)N(Cc3ccsc3)c3cccnc3)c12 58244942 YVKSIOSBZCOYDF-UHFFFAOYSA-N 416.462 5.095 0 40 HKAB CC(C)c1noc(-c2ccccc2C(=O)Nc2nc(-c3ccccc3Cl)cs2)n1 58264118 PIXXVTGOWOVAHA-UHFFFAOYSA-N 424.913 5.889 0 40 HKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3cccc(C(=O)OCC(C)C)c3)c2c1 61997081 GXWPBGBEDDWIEI-UHFFFAOYSA-N 423.509 5.985 0 40 HKAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2C(F)(F)F)n1 67296797 PONQRISSAFYSQD-SLMZUGIISA-N 423.394 5.640 0 40 HKAB O=c1c2sccc2nc(SCc2cc(F)cc(F)c2)n1CCc1ccccc1 71327596 SMBZBNDEEDEPOK-UHFFFAOYSA-N 414.502 5.271 0 40 HKAB CCOc1ccc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1OCC 96193822 GMBNIJBSWKOAOR-UHFFFAOYSA-N 406.467 5.063 0 40 HKAB Clc1cccc2c(-c3nn4c(-c5cc6ccccc6o5)nnc4s3)cccc12 96193834 DYIDXNBUSRWZJA-UHFFFAOYSA-N 402.866 6.073 0 40 HKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Oc1cccc(C(F)(F)F)c1 102317099 WEBNAPHENIITHH-LGBHXNNWSA-N 417.265 5.735 0 40 HKAB CC[C@H](NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 219389242 BSVLLARNLFEOSG-FXAWDEMLSA-N 407.963 5.495 0 40 HKAB Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223394135 MTMYQDDBOOOZAJ-DQEYMECFSA-N 424.573 5.353 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1Cc1ccccc1 223404324 FMMTVWFHUWOYPF-DNQXCXABSA-N 410.546 5.045 0 40 HKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 224363726 OLJZGFIWURADEI-DHIUTWEWSA-N 418.610 5.939 0 40 HKAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1cccc(Cl)c1 224489323 AAORJVDXIJELCM-UHFFFAOYSA-N 417.839 5.848 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1cccc2ccccc12 224630473 HYIREKAXHRNAAZ-UHFFFAOYSA-N 415.464 6.209 0 40 HKAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1CSc1ccc(C)cc1 224663131 FGUJGSVEPYFHIG-UHFFFAOYSA-N 413.489 6.217 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(F)c3)o2)c(OC)c1 224931830 PFZPWQXGJXKGKZ-UHFFFAOYSA-N 418.424 5.417 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c2ccccc12 225755089 ZQGHDUCGEQZAEU-IBGZPJMESA-N 417.549 6.476 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c2ccccc12 225772887 GSECHNUSMXOPCS-UHFFFAOYSA-N 403.522 5.624 0 40 HKAB CC1CCC(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CC1 229589828 WWWZAHVVNUHEMR-OCJFHSIUSA-N 407.510 5.195 0 40 HKAB CCOc1ccc(-n2c(SCc3ccc(C)cc3)nnc2-c2ccccc2)cc1 409095877 IOCDUWLFFGTJRK-UHFFFAOYSA-N 401.535 5.934 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@@H](c2ccccc2)N3)c1 409114937 FHBLIRSVBJCXLW-GOZGONJHSA-N 422.572 6.852 0 40 HKAB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccs3)n2C)cc1 409201197 OGDXJYXBEPKXKU-FCQUAONHSA-N 406.532 5.232 0 40 HKAB O=C(c1ccccc1)n1nc(Nc2ccccc2Cl)cc1Nc1ccccc1Cl 575443513 SRGRCBBNTYZRJY-UHFFFAOYSA-N 423.303 6.366 0 40 HKAB Cc1ccc(C)c(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1 626549 HDBFDQZZCOHNJJ-SFHVURJKSA-N 413.348 6.191 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3cn4ccc(C)cc4n3)cc2)c(C)c1 629481 NVDIFRIRZCYJQD-UHFFFAOYSA-N 405.523 5.036 0 40 HKAB COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2c(C)cccc12 887010 OAJJFVUWFFEPQT-UHFFFAOYSA-N 415.518 5.345 0 40 HKAB O=C(O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 936094 BEIUMMDOPMTMKO-UHFFFAOYSA-N 409.747 5.569 0 40 HKAB O=C(Cc1cccc2ccccc12)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl 1006493 WYPZZMHWYYYHFH-UHFFFAOYSA-N 414.892 5.927 0 40 HKAB Cc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 1053878 JLNXJCYGBBEATK-XMMPIXPASA-N 402.519 5.022 0 40 HKAB Cc1cccc(C)c1NC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)C[C@@H]1c1ccco1 1071235 JWAWTHJEYZWRFR-GCJKJVERSA-N 408.885 5.203 0 40 HKAB Cc1ccc(NC(=O)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C2CCCCC2)cc1 1360950 OKRAOJLXTGHSBO-UHFFFAOYSA-N 417.553 5.820 0 40 HKAB Cc1cccc2cc(CN(C(=O)Nc3ccc(F)cc3)C3CCCCC3)c(=O)[nH]c12 1378163 DAVQAXKUFICIRA-UHFFFAOYSA-N 407.489 5.342 0 40 HKAB COc1cc([C@@H](CC(=O)c2cccs2)Sc2ccccc2)cc(OC)c1OC 1463227 AKALSHQUQSZUQX-OAQYLSRUSA-N 414.548 5.880 0 40 HKAB O=C(c1cc2ccccc2[nH]1)C(O)(c1cc2ccccc2[nH]1)c1cc2ccccc2[nH]1 1630788 PZTUXCCLBIOISZ-UHFFFAOYSA-N 405.457 5.249 0 40 HKAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1c(Cl)cccc1Cl 2195056 MBRHLBQTAYCGBD-AVRWGWEMSA-N 402.258 5.081 0 40 HKAB O=C1C2=C(C(=O)N1c1ccc(Cl)cc1)[C@H](c1ccccc1)Nc1ccccc1S2 2212590 JGKZQEXGIUCFMK-FQEVSTJZSA-N 418.905 5.426 0 40 HKAB CCCOc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1 2233880 IBPGIJBGAXUKOD-UHFFFAOYSA-N 410.521 5.615 0 40 HKAB CC(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 2295577 YJMWJGSUTRVRGW-UHFFFAOYSA-N 400.569 5.047 0 40 HKAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(Nc2cc(Cl)cc(Cl)c2)n1 2355772 AWLZTDIZPBKLGX-UHFFFAOYSA-N 418.633 6.866 0 40 HKAB CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(C)C)cc1 2433897 WICMFDOUIUSENK-QHCPKHFHSA-N 419.521 5.277 0 40 HKAB CCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2C)cc1 2591001 XJVLTCLSVUUAGE-UHFFFAOYSA-N 402.534 7.149 0 40 HKAB Cc1ccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2C(C)C)cc1C 2713496 CSEHYRSLYGHVRD-UHFFFAOYSA-N 421.522 5.071 0 40 HKAB CCCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OCCC)CCCC3)cc1 2751601 NMAJMVHUMIBMMI-UHFFFAOYSA-N 415.555 5.625 0 40 HKAB Cc1cccc(-c2nsc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)n2)c1 2917547 KHFNIGSXRZPFMJ-UHFFFAOYSA-N 409.458 5.263 0 40 HKAB O=C(Nc1ccccc1Cl)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 3012976 ACYGOXPBOVFQTQ-HIFRSBDPSA-N 410.783 5.042 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2N2CCCCC2)cc1 3109765 VRODAYLSIJDGLG-UHFFFAOYSA-N 416.930 5.127 0 40 HKAB Clc1ccc(-c2nc(NC3CCCCCCC3)c3c4c(sc3n2)CCC4)cc1 3371244 MMHKAKLGORWBAO-UHFFFAOYSA-N 412.002 7.025 0 40 HKAB COc1ccc(C2=C[C@H](c3ccccc3)[C@@H]3CCCC[C@]34Oc3ccccc3N24)cc1 3999166 HGGPYRPVMWSYOB-NYULUDCUSA-N 409.529 6.619 0 40 HKAB biogenic O=c1[nH]c(SCc2c(F)cccc2Cl)nc2scc(-c3ccccc3)c12 4289676 XBKMGGOYWQBHBB-UHFFFAOYSA-N 402.903 5.736 0 40 HKAB CCCCOc1ccc(-c2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 4952409 FJJAZOQXRNMPHA-UHFFFAOYSA-N 403.913 6.434 0 40 HKAB Cc1cccc(NCc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)c1 4981167 JXGZPAOMQAUDMP-GDLZYMKVSA-N 417.556 6.963 0 40 HKAB CCOc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1Cl 5235041 HGWFPVARWQDPRP-UHFFFAOYSA-N 415.942 5.130 0 40 HKAB O=C(Cc1ccccc1)NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1 5545896 QUNJOWSFIKSRJB-UHFFFAOYSA-N 417.940 5.030 0 40 HKAB Clc1cccc(CN2CCC(c3cc(-c4cccc5ccccc45)n[nH]3)CC2)c1 5762758 GCYCQBIKZVSZSX-UHFFFAOYSA-N 401.941 6.263 0 40 HKAB CC[C@@H](C)C(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccco2)c2ccccc21 6662360 NRNRYUUUBITFNB-SELNLUPBSA-N 416.521 5.839 0 40 HKAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 6707022 YFQFRNZNXWLBKX-OQLLNIDSSA-N 420.534 5.065 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4C)C3)cc2)cc1C 7928145 DGMCLFQIMKWESC-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 8221606 XADRJKJWAKBAGG-FQEVSTJZSA-N 420.512 6.097 0 40 HKAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CCC(C)C 8959248 FLCLJYHYKZKVLU-UHFFFAOYSA-N 424.541 5.135 0 40 HKAB Cc1cccc(C)c1NC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21 9192563 ZHFQWMZLWDATBW-UHFFFAOYSA-N 400.453 5.267 0 40 HKAB O=C(Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)c1ccc(F)cc1 9366637 NYTWIFCJEYBTRK-UHFFFAOYSA-N 413.421 5.241 0 40 HKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccs2)cc1OC 9518454 MXPRMOANFDCDMO-UHFFFAOYSA-N 422.462 5.016 0 40 HKAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc2noc(-c3ccc(C)cc3)c2c1 9528931 OMGJUJWAMDSHCP-UHFFFAOYSA-N 406.869 6.026 0 40 HKAB COc1ccc(-c2c/c(=N\c3cc(OC)ccc3OC)c3cc(Cl)ccc3o2)cc1 9970905 BVOQYLVXENESQJ-LHLOQNFPSA-N 421.880 6.011 0 40 HKAB CCCOc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 10120341 MZATXTXZWCGZEI-UHFFFAOYSA-N 414.505 5.830 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 11246816 GNXWZSZTIOBVAW-UHFFFAOYSA-N 409.367 5.675 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1N1CCCCCC1 12437904 ONCCGIYSNKQAKZ-UHFFFAOYSA-N 400.931 5.101 0 40 HKAB O=C(CCSc1ncnc2scc(-c3ccccc3)c12)Nc1ccccc1F 12748975 LSUZQVHWSFPWOD-UHFFFAOYSA-N 409.511 5.618 0 40 HKAB CCOc1cc(/C=C/C(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc(Cl)c1OC 12910399 SLOBJXZGPNHIPC-BESKYLIDSA-N 415.917 5.133 0 40 HKAB N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1ccc(OCc2ccccc2)cc1 16480455 AIIOVAQBOFYEAM-UHFFFAOYSA-N 404.853 5.397 0 40 HKAB O=c1nc2n(c3ccccc13)[C@@H](c1ccccc1)[C@H](Sc1ccccc1)CS2 16779193 IFVWUTLPCSOGGZ-RTWAWAEBSA-N 402.544 5.253 0 40 HKAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccc(COC(C)=O)o3)on2)cc1 19023018 WHHBJKIMDJSRCF-HSZRJFAPSA-N 424.497 5.124 0 40 HKAB CCCC(=O)N1CCCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19501401 FZZOJVPHVYOMDW-NRFANRHFSA-N 401.514 5.136 0 40 HKAB COc1cccc(Cc2ccc([C@H]3CCCN3Cc3c(C)nn(C(C)C)c3C)nc2)c1 19688534 XDFCVRFQUAKTOQ-AREMUKBSSA-N 418.585 5.412 0 40 HKAB O=C(O)c1cc(NC(=O)c2cccc3c(Br)cccc23)ccc1Cl 20139033 ILXZSDGKXWMROJ-UHFFFAOYSA-N 404.647 5.206 0 40 HKAB O=c1ccc(-c2ccc3ccccc3c2)c2n1C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1 20503374 JLAUUROJJUMJGH-GBXCKJPGSA-N 424.519 5.427 0 40 HKAB biogenic,in-vitro Cc1c(C)n(Cc2cccnc2)c2ncn3nc(-c4ccc(C(C)(C)C)cc4)nc3c12 21801055 VLAKGHFAVREPDP-UHFFFAOYSA-N 410.525 5.104 0 40 HKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)cc2)cc1 30947709 HKFVOPJYKIRJRD-GOSISDBHSA-N 417.505 6.148 0 40 HKAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1cccc(OCc2ccccn2)c1 31453697 UKVAAYOXGIEWMN-UHFFFAOYSA-N 417.440 5.026 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(-c2ccccc2)cc1Cl 31981836 OMPVSQCJHNVEGX-DEOSSOPVSA-N 416.908 5.910 0 40 HKAB COc1ccc(-c2nnc([C@@H](C)Nc3ccc4c(c3)OC3(CCCCC3)O4)o2)cc1 32808966 FQSDWJHTWMTUJE-OAHLLOKOSA-N 407.470 5.350 0 40 HKAB O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)Nc1ccccc1F 33018520 ILPDSUSMDRHJBM-UHFFFAOYSA-N 409.511 6.372 0 40 HKAB CC(C)N(C)CC1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1 39563963 MVQXOZIKANRIQT-UHFFFAOYSA-N 413.612 5.217 0 40 HKAB Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccccc2Cc2ccccc2)c(C)c1 40098850 NXONSPYAGMBRPI-UHFFFAOYSA-N 415.537 5.305 0 40 HKAB COc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c(C(F)(F)F)c1 46153326 SSOLNVOMPDQAAS-UHFFFAOYSA-N 409.335 5.277 0 40 HKAB O=C(c1cc(-c2cccc3ccccc23)[nH]n1)N(Cc1ccccc1)Cc1ccccc1 57413418 ZQMYPPVWEHLUBK-UHFFFAOYSA-N 417.512 6.073 0 40 HKAB Cc1cc(Cl)ccc1-n1c(-c2ccccc2)nnc1-c1ccc(Br)cc1 59485199 OISIBPKNRPCZCO-UHFFFAOYSA-N 424.729 6.326 0 40 HKAB O=C(c1cccnc1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72349101 LRDXNEDIQIBCLR-GOSISDBHSA-N 411.427 5.182 0 40 HKAB COc1cccc(C2=NN(C(=O)c3ccccc3F)[C@H](c3ccccc3Cl)C2)c1 95116079 LKHZAKHCSPQNKE-QFIPXVFZSA-N 408.860 5.479 0 40 HKAB C[C@]12CC3CC(NC(=O)c4ccc(-c5ccc(Cl)cc5Cl)o4)(C1)C[C@](C)(C3)C2 101213050 QAZXPZMVYBKJCE-SOCOAQSPSA-N 418.364 6.732 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@@H](c4ccc(Cl)cc4)C3=C(O)C2)cc1 102622060 ZZHIQAGOAHUJLR-VFNWGFHPSA-N 406.873 5.005 0 40 HKAB COc1ccc(NCc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 107042526 JMZUZKSOJZYUQU-UHFFFAOYSA-N 401.865 5.687 0 40 HKAB O=C(Nc1cccc(-c2csc(Nc3ccccc3Cl)n2)c1)C1CCOCC1 208007467 JTBGKZCJTHOOIS-UHFFFAOYSA-N 413.930 5.572 0 40 HKAB Cc1cc(OCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)ccc1Cl 218936861 HBOYEVOWKXLSGB-UHFFFAOYSA-N 418.773 5.384 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1Cl 223132625 JOXYAYCWCMIGCO-INIZCTEOSA-N 422.912 5.482 0 40 HKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 223171242 NTSLTTJZOJGPDI-XMMPIXPASA-N 422.613 5.465 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2C)cc1 224084632 HWALSZOPWKYIFL-UHFFFAOYSA-N 416.587 5.049 0 40 HKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224252193 OUJHMEZKEBMCRY-XMMPIXPASA-N 422.613 5.169 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225108484 NNPZZTUCTFRCBA-FQEVSTJZSA-N 406.507 5.032 0 40 HKAB COc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)c2cccnc12 225513094 IMBDTFULBBAYRZ-QHCPKHFHSA-N 413.546 5.628 0 40 HKAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccc(F)cc2)CCCCC1 225547823 LNGBVVMBEAEYQK-UHFFFAOYSA-N 424.560 5.531 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCSCc2cccc(C)c2)c1 225604212 FPQGJVNJDVEOTO-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@@H]1CCCc2ccccc21 225851619 PENQFMDXPXLOIB-LEYFIJQKSA-N 416.546 5.021 0 40 HKAB O=C(c1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1)N1CCCCC1 225870784 NZYWHQRRRALAQF-UHFFFAOYSA-N 407.583 5.069 0 40 HKAB Cc1cc(Oc2ccccc2)nc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 225919349 WVFRYRSFKMVKRD-UHFFFAOYSA-N 416.506 5.324 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1N1C[C@@H](C)C[C@@H](C)C1 226330852 SLHOEBBYQQIAHJ-BETUJISGSA-N 406.357 5.619 0 40 HKAB CC1(C)[C@H](NC(=O)CCc2ccc(F)cc2)[C@@]23CCO[C@H](c4ccccc4)[C@H]2C[C@@H]1C3 257332871 XZCREPGXVDQBSQ-CSBFCJIUSA-N 421.556 5.457 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCC[C@H](C)C4)cc3)CCCC2)c1 260812518 DULQQBKQBLOWDY-QFIPXVFZSA-N 420.597 5.556 0 40 HKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1F 408557891 QLRUEJDBKZHYPJ-UHFFFAOYSA-N 408.473 5.081 0 40 HKAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cccc(Cl)c1Cl 408625542 YMBOJZUSEZOMMS-TZWRJOPASA-N 420.295 5.390 0 40 HKAB COc1cc(-c2nc(O)c3c(C)c(C)sc3n2)ccc1OCc1cccc(C)c1 408735258 PAELYNJTCCFTPK-UHFFFAOYSA-N 406.507 5.577 0 40 HKAB CCCc1sc(NC(=O)CC[C@@H](O)c2ccccc2)nc1-c1ccc(OCC)cc1 409199206 HNVKBDLCSXYOCK-HXUWFJFHSA-N 424.566 5.614 0 40 HKAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)C1c2ccccc2Oc2ccccc21 1775968846 NDJQOEFXHFGACM-SFHVURJKSA-N 417.486 5.096 0 40 HKAB CC(C)c1ccc(-c2cc(C(=O)Nc3ccc(C(N)=O)cc3)c3ccccc3n2)cc1 689081 NHPKHSFBCLTUIK-UHFFFAOYSA-N 409.489 5.376 0 40 HKAB COc1ccc([C@H]2[C@@H](Oc3ccccc3C)C(=O)N2c2ccc(C)c(C)c2)cc1OC 717826 HZISXYCFMQXQMF-LOSJGSFVSA-N 417.505 5.165 0 40 HKAB Cc1ccc2sc(NC(=O)c3sc4nc5c(C)cccc5cc4c3N)nc2c1 872642 IWLUFUZEGVSLPJ-UHFFFAOYSA-N 404.520 5.511 0 40 HKAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)Cc1cccc2ccccc12 944326 NAHZSKBDDNSPQF-UHFFFAOYSA-N 405.475 5.519 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)c3ccccc3n2)cc1OC 996222 CNUMMZZERBQZJQ-UHFFFAOYSA-N 412.489 5.788 0 40 HKAB COc1ccc2nc(Cl)c(CN(Cc3cccc(C)c3)C(=O)c3ccco3)cc2c1 1339509 QEMLAXYTTZEQHI-UHFFFAOYSA-N 420.896 5.641 0 40 HKAB CCCN(CCC)C(=S)Oc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 1434832 RVPHBWAWPHVXQJ-UHFFFAOYSA-N 400.544 5.123 0 40 HKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC(=O)C3CCCCC3)cc12 1448004 AZMHHYAAWYUBEL-UHFFFAOYSA-N 422.477 5.771 0 40 HKAB biogenic COc1ccc(N2N=C(C(C)=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccc(C)cc2)cc1 2138141 KUPPFNPMATTWFS-AREMUKBSSA-N 413.521 5.548 0 40 HKAB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2Cc1ccc(Cl)cc1 2272279 YTIKLQBEASJMGJ-UHFFFAOYSA-N 404.025 7.423 0 40 HKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1S(=O)(=O)Cc1ccccc1 2288349 CIHIAKVQSWLYPE-VWLOTQADSA-N 405.563 5.511 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1 2290806 KIQHFVQOYNTFCJ-UHFFFAOYSA-N 416.477 5.148 0 40 HKAB Cc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccs2)N2N=CNC2=N3)cc1 2707286 JVNOFTQUGNLNEH-DHIUTWEWSA-N 412.518 5.169 0 40 HKAB CCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2c(C)cccc2CC)c1CC 3312506 MBMOAMGCHBOFQL-UHFFFAOYSA-N 418.537 5.416 0 40 HKAB Cc1ccc(NC(=O)COC(=O)c2cc3sc(Nc4ccccc4)nc3s2)cc1 3339809 GRSDPKZPEDWZSN-UHFFFAOYSA-N 423.519 5.205 0 40 HKAB Cc1ccc(SCCNC[C@@H](O)COc2ccc(C(C)(C)C)cc2C)cc1C 3384191 FXVKDSVEFSJFBT-OAQYLSRUSA-N 401.616 5.031 0 40 HKAB CC(C)c1ccc(NC(=O)COCC(=O)N(c2ccccc2)c2ccccc2)cc1 4704251 GFKILOMYHCIBGV-UHFFFAOYSA-N 402.494 5.130 0 40 HKAB CCOc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3cccc(OC)c3)C[C@H]21 4715709 WWKRMMMPGFJZKU-RDGATRHJSA-N 418.468 5.475 0 40 HKAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccccc3[C@@H](C)CC)n2)cc1 5180131 UDBLGTPYXOHZEV-JKSUJKDBSA-N 408.571 5.667 0 40 HKAB COc1cc2c(cc1OC)C(c1oc(-c3cc(Cl)ccc3Cl)cc1C)=NCC2 5235366 NHSNTLNJFSLBEG-UHFFFAOYSA-N 416.304 5.973 0 40 HKAB COc1ccccc1CNC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 5242710 LOJGETLPSBIKHH-HZFUHODCSA-N 405.626 6.619 0 40 HKAB Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 5271346 GXMMDSHTWBKRCO-UHFFFAOYSA-N 419.550 5.034 0 40 HKAB CSc1ccc(-c2c/c(=N\c3ccc(NC(C)=O)cc3)c3ccccc3o2)cc1 5451204 VLQMRDLROSCNDV-XTCLZLMSSA-N 400.503 6.013 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 6238383 TWKIWVBXIFFWHT-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccccc1Cl 6531728 IZZVMTKNEYGVOU-INIZCTEOSA-N 406.942 5.895 0 40 HKAB C[C@@H](NC(=O)c1ccc(COc2ccccc2)o1)c1cc(F)c(Cl)cc1Cl 6553537 QZCXEMXKDDFROQ-GFCCVEGCSA-N 408.256 5.796 0 40 HKAB C[C@@H](OC(=O)c1ccc(OCc2ccccc2)cc1)c1nnc(-c2ccccc2)o1 6938129 OVHPFONXWKKMNF-QGZVFWFLSA-N 400.434 5.234 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2cccc(C)c2)cc1 6966134 LNDSMEYBONLOLC-MUUNZHRXSA-N 418.540 6.669 0 40 HKAB COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 7040935 RMYGGILTXRGVME-UHFFFAOYSA-N 415.276 5.507 0 40 HKAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C)cc4)cc3)CC2=O)cc1 7882516 LLPDEBJHDJNBKA-FQEVSTJZSA-N 414.505 5.341 0 40 HKAB COc1ccc(-c2nnc([C@H](C)Sc3nc(C)nc4sc(C)c(C)c34)o2)cc1 8560492 IWKUAYDZCDPESQ-LBPRGKRZSA-N 412.540 5.528 0 40 HKAB Cc1c(C(=O)NCCSc2ncc(C(F)(F)F)cc2Cl)oc2ccccc12 9049520 UVHDNHOFQHUHID-UHFFFAOYSA-N 414.836 5.331 0 40 HKAB Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)s2)c1 9062190 UUKGWWXOWHJSAV-UHFFFAOYSA-N 414.490 5.018 0 40 HKAB Cc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCOC(C)C)cc1 9200095 WGDUWASFWIRMDO-QHCPKHFHSA-N 419.521 5.079 0 40 HKAB Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1NS(=O)(=O)c1ccccc1 10314654 IIMVVSIVKZEMGK-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB Cc1ccc(N(Cc2cccs2)C(=O)COc2ccc(Br)cc2)cc1 11914557 VTCIQUCIBHHKSU-UHFFFAOYSA-N 416.340 5.431 0 40 HKAB COc1ccccc1-c1noc(-c2sc3ccccc3c2OCC(=O)C(C)(C)C)n1 12759463 QBQJDUQWYYUOHQ-UHFFFAOYSA-N 422.506 5.621 0 40 HKAB C[C@@H]1C[C@H](OC(=O)Nc2cccc(C(F)(F)F)c2)[C@H]2C=C(Cl)C=C[C@@H]2S1 12857559 PCCPROCGFPNVMC-XGVBPZLHSA-N 403.853 5.825 0 40 HKAB CCC1=Nc2ccccc2N=C(NC(=O)c2cccs2)[C@H]1c1ccc(OC)cc1 14608094 VJBAFIJVWYRMHP-NRFANRHFSA-N 403.507 5.497 0 40 HKAB O=C(NC1CCCCC1)N[C@@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 15778740 GGTYURXEVHVAAI-IBGZPJMESA-N 410.905 5.111 0 40 HKAB COc1ccc([C@H]2CCCN2C(=O)COc2ccccc2-c2ccccc2)c(OC)c1 15829600 BIPATINVKQABJJ-HSZRJFAPSA-N 417.505 5.113 0 40 HKAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(C)cc2Cl)c1 16637146 WHBJIFUJYLVYGU-UHFFFAOYSA-N 424.353 5.167 0 40 HKAB CC(C)/C=C(\CC(C)C)[C@@H](CCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 16924576 LQBSZMAAJNMYFL-FGNRIPBJSA-N 406.570 6.289 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)Nc5ccccc5Br)(C4)C2)C3)cc1 18322361 TXXMIJHJKZEOLY-ISVJADKWSA-N 424.382 6.234 0 40 HKAB O=C(C1CCC1)N1CCCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373031 NAUCXYZJGWCCRF-JOCHJYFZSA-N 413.525 5.136 0 40 HKAB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(O[C@@H](C)CC)cc4)cc3n2)cc1 20610188 DADXHRLUDQQNHW-KRWDZBQOSA-N 414.509 5.413 0 40 HKAB O=C(NCCc1cccc(Cl)c1)c1ccccc1-c1ccc(Cn2cccn2)cc1 24763051 KFQSCNLSYQEOLN-UHFFFAOYSA-N 415.924 5.224 0 40 HKAB O=C(COCc1nc2ccccc2s1)N1CCc2sccc2[C@@H]1c1ccccc1 25899438 LJYUHJAYWYJTKB-QHCPKHFHSA-N 420.559 5.049 0 40 HKAB NC1=C(Cl)C(c2ccncc2)=NN=C(c2c(Cl)cc(Cl)cc2Cl)S1 28294483 UXVLHIQWBGLLPN-UHFFFAOYSA-N 418.136 5.306 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)/C=C/c1ccccc1 28296338 YDLGPSRBKLWFAV-MOGKMSSSSA-N 406.610 7.044 0 40 HKAB O=C(Nc1ccc(-c2nc3cnccc3o2)c(O)c1)c1ccc(-c2ccccc2)cc1 32089311 ZMXWWNZQGRHDKR-UHFFFAOYSA-N 407.429 5.515 0 40 HKAB COc1ccc(Br)cc1/C=C(/CCC(=O)O)c1nc2ccccc2s1 33619861 QZKVSZJMSOJQQM-BENRWUELSA-N 418.312 5.473 0 40 HKAB CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C)c3)C(O)=NC2=S)cc1 33915582 KJIGOYDMWKVFQS-RCCKNPSSSA-N 415.518 5.020 0 40 HKAB Cc1cc(C(=O)Nc2cccc(-c3ccno3)c2)c2c(-c3ccc(F)cc3)noc2n1 36617474 FEWHNVWYOLPMET-UHFFFAOYSA-N 414.396 5.245 0 40 HKAB CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2ccccc2SCC(F)(F)F)c1 43960608 RMKJIWDCMFFHJG-LBPRGKRZSA-N 411.449 5.182 0 40 HKAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1)N1CCCCC1 44087473 QSZMOCXRHKBHPA-UHFFFAOYSA-N 411.958 5.297 0 40 HKAB Cc1ccc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1C 44546965 ZSZDXHZGMRCNMY-DEOSSOPVSA-N 415.489 5.358 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 49708043 YEYCQJVCAMFWCO-SYYDAFJXSA-N 414.674 7.569 0 40 HKAB biogenic CC[C@@H](NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 59292193 FMFJEAFOOKAWQL-RTBURBONSA-N 400.906 5.109 0 40 HKAB CC(=O)N1CC[C@H](c2c(C(=O)Nc3cccc(OC(C)C)c3)sc3ccccc23)C1 72352605 WDSDPTUNRAFWKG-KRWDZBQOSA-N 422.550 5.277 0 40 HKAB CN(C)c1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cccs4)C3=C(O)C2)cc1 100429212 DYHIJTJYHJAKNN-GKVSMKOHSA-N 415.562 6.443 0 40 HKAB Brc1ccc([C@H]2C=C(c3ccccc3)Nc3nc4ccccc4n32)cc1 100775674 GHQDMNNDNUCUPQ-OAQYLSRUSA-N 402.295 5.855 0 40 HKAB C[C@H](NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)[C@@H]1C[C@H]2CC[C@H]1C2 102133916 KGHGLAFUBMLMDN-ZZTDLJEGSA-N 405.478 6.706 0 40 HKAB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)o2)cc1 106680734 GWIJUBSXAQBKIB-UYRXBGFRSA-N 407.516 5.976 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)ccc1Cl 222842901 CYQMWVHICZFIBO-ZDUSSCGKSA-N 416.345 5.258 0 40 HKAB C[C@@H](SCc1ccccc1)C(=O)Nc1nnc(SCc2ccccc2)s1 223228096 YNEMHOAZNPOJPC-CQSZACIVSA-N 401.582 5.091 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 224219741 LTQZDZZFUWQHGG-RPWUZVMVSA-N 410.546 5.358 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccccc1OC 224241675 BVSNGVLBAVAUEM-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1COCC(C)C 224455666 IQDOWBICFQMMAK-UHFFFAOYSA-N 403.522 5.387 0 40 HKAB CCOc1ccc(C(=O)NCc2ccco2)cc1COc1cccc2ccccc12 224629225 PRAUIXWASRJXKP-UHFFFAOYSA-N 401.462 5.341 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)NCc1cccc(CN2CCCC2)c1 224635622 MJBDABIFLUEOCP-UHFFFAOYSA-N 423.409 5.139 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc21 225128901 IYEHOPQRJDEWER-UHFFFAOYSA-N 402.519 5.415 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NC(=S)Nc2ccc(F)cc2)cc1 225460610 MXBCEKSBMMJBTL-UHFFFAOYSA-N 402.878 6.089 0 40 HKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1 225697486 FMXQTMWBLLSLAG-KRWDZBQOSA-N 413.986 5.560 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c2ccccc12 225756594 WLIQVRYCDIOFIM-HXUWFJFHSA-N 401.550 6.858 0 40 HKAB Cc1cc(Br)cc(C)c1NC(=O)c1cc(N)ccc1N1CCC[C@H](C)C1 226324392 GDIRUTACLGEHFI-ZDUSSCGKSA-N 416.363 5.137 0 40 HKAB CCOc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)cc1 253528860 SDDXAJAVPWQDGV-LLSAEGISSA-N 408.626 6.872 0 40 HKAB CC[C@@H](C)CN1CCC(COc2ccccc2)(CC(=O)N(C)Cc2ccccc2)CC1 257232752 GMGGHJVAUPJZHN-HSZRJFAPSA-N 422.613 5.242 0 40 HKAB CC(C)C(=O)N[C@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(Cl)c(F)c2)C1 257333755 YCXWUWKEGBVSGC-TUNNFDKTSA-N 407.888 5.742 0 40 HKAB CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 263585558 JZVFJDZBLUFKCA-MLTYJAASSA-N 412.702 7.801 0 40 HKAB biogenic CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 408628720 WKRDBQRFLVOHBA-UHFFFAOYSA-N 402.519 5.852 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(Cl)cc2)c(C)c1 408699009 QVAYIHMXGHGVDE-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1ccc(F)cc1 408924005 IZAZYEGHPNHSON-UHFFFAOYSA-N 420.465 5.032 0 40 HKAB Fc1ccccc1CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 409107692 TYQOHIXFZNKYGE-UHFFFAOYSA-N 409.917 5.943 0 40 HKAB Cc1c(Cl)cccc1NCc1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 409132783 LRZQDLBJYOIHNJ-UHFFFAOYSA-N 424.730 7.285 0 40 HKAB CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)csc1NC(=O)c1ccco1 668533 HZXSVRICYFHORI-UHFFFAOYSA-N 410.278 5.744 0 40 HKAB Cc1ccc2cc(CN(Cc3ccccc3Cl)C(=O)c3ccccc3)c(=O)[nH]c2c1 1358598 AWSIINNTNMHTID-UHFFFAOYSA-N 416.908 5.333 0 40 HKAB Oc1ccc(C2SC(c3ccc(O)cc3)SC(c3ccc(O)cc3)S2)cc1 1701413 DYURQQALJHDBKQ-UHFFFAOYSA-N 414.573 6.413 0 40 HKAB O=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 2075784 VKRCJHWSINSUJD-UHFFFAOYSA-N 402.291 6.386 0 40 HKAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccccc1 2265534 QOAGYTJZVXSXHX-GIGWZHCTSA-N 408.482 5.892 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2282315 ADVRBUPSWXFOOP-UHFFFAOYSA-N 414.292 6.198 0 40 HKAB Sc1nnc(COc2ccc(Cl)cc2Cl)n1-c1cccc2ccccc12 2344229 OXWOTFNGHIJWAH-UHFFFAOYSA-N 402.306 5.595 0 40 HKAB COc1cc(-c2nc3nc4ccccc4nc3n2C2CCCCC2)cc(OC)c1OC 2428568 GNVJXIKJSPKLCG-UHFFFAOYSA-N 418.497 5.178 0 40 HKAB CCOC(=O)c1c(C)nc2c(c1-c1ccc(Cl)cc1Cl)C(=O)CC(C)(C)C2 2452078 MXRADBXRFDCAOH-UHFFFAOYSA-N 406.309 5.696 0 40 HKAB O=S1(=O)c2ccccc2N[C@@H](c2cccc(C(F)(F)F)c2)N1Cc1ccccc1 2502976 ZUNUIVKBOHADEW-HXUWFJFHSA-N 418.440 5.021 0 40 HKAB CCOc1ccc2ccccc2c1[C@H]1N=C(O)c2c(sc3c2CCN(C(C)C)C3)N1 4554091 DYYVUFWTPVTXQV-QFIPXVFZSA-N 421.566 5.495 0 40 HKAB CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cccs4)cc3c2C1 4660842 IUBFWYHEJLBMHC-CQSZACIVSA-N 403.569 5.836 0 40 HKAB CCC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccc(OC(F)(F)F)cc1 4694121 YCVPBZOPZIBHBO-UHFFFAOYSA-N 401.494 5.988 0 40 HKAB Cc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)CCc3ccccc3)nc12 5265352 YMTFXNZNTLQGFR-UHFFFAOYSA-N 401.535 5.474 0 40 HKAB Cc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 5322536 GKHWMQQDODQXSY-NRFANRHFSA-N 416.864 5.208 0 40 HKAB COc1ccc([C@H](CC(=O)NCc2ccc(OC(C)C)cc2)c2ccc(F)cc2)cc1 5499202 IXDJVYFGNNFCND-RUZDIDTESA-N 421.512 5.460 0 40 HKAB CCCCCCOc1ccc(NC(=O)c2c(O)n(CCC)c3ccccc3c2=O)cc1 5826023 LUXGHGWKKJLNDA-UHFFFAOYSA-N 422.525 5.329 0 40 HKAB CCOc1cc(CNc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1 5980269 YRDLEKQPSKUZNW-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB O=c1cc(CSc2ccccc2)nc(SCc2ccc(Cl)c(Cl)c2)[nH]1 6448774 ATZWTFVIKCKYTC-UHFFFAOYSA-N 409.363 5.661 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 6612170 IMACLIHVJNIAPX-UHFFFAOYSA-N 415.489 5.538 0 40 HKAB Cc1ccc(NC(=S)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)cc1F 7379293 ZXUVDEFRWHTXJL-OAQYLSRUSA-N 404.938 5.455 0 40 HKAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)Cc1coc2ccc3ccccc3c12 7824318 GTGPGWALSFCCTN-UHFFFAOYSA-N 423.516 5.307 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 8168679 SGKVFMVFDCSKDK-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1C 8319423 KWGGDVQGYDCQJF-UHFFFAOYSA-N 404.853 5.010 0 40 HKAB Cc1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c(C)cc1I 8333940 HHVNWCZLWVVEEB-JXMROGBWSA-N 419.306 5.683 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2Cl)c1 8335511 TUNUBUFRCQSPMW-UHFFFAOYSA-N 404.897 6.634 0 40 HKAB COc1cccc2cc(-c3nnc(NC(=O)c4cc(Cl)ccc4Cl)o3)oc12 9166911 BAGTYSZRLRGIID-UHFFFAOYSA-N 404.209 5.051 0 40 HKAB CCc1ccc(-c2n[nH]c(SCC(=O)N3CC[C@@H](C)Sc4ccccc43)n2)cc1 9780295 VTFXYULLZAVNCK-OAHLLOKOSA-N 424.595 5.044 0 40 HKAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccc(Cl)cc1Cl 12178544 IIOCQPVPGJXUQN-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB Cc1ccc(Sc2ccc(NC(=O)CN[C@H](C)c3cccc(Cl)c3)cc2)cc1C 13040173 QVLHSTUGGYGSHJ-GOSISDBHSA-N 424.997 6.397 0 40 HKAB Cc1ccc(Nc2nc(CN(C)CC(=O)Nc3ccccc3Cl)cs2)cc1C 13059627 BAWJBAGFVYOCCO-UHFFFAOYSA-N 414.962 5.227 0 40 HKAB Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N(C)c1ccccc1 14736143 MMYUOUTUXNSVAF-UHFFFAOYSA-N 424.500 5.442 0 40 HKAB Cc1cc(Br)cc(Br)c1NC(=S)Nc1ccccc1 16269503 MUMLSEOZLKIZST-UHFFFAOYSA-N 400.139 5.329 0 40 HKAB Fc1ccc(CCNCc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 16525936 OPOHMJRTQPKJEL-UHFFFAOYSA-N 403.472 6.029 0 40 HKAB Clc1ccc(CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1Cl 16807814 VAJUBKNGVWVTOP-UHFFFAOYSA-N 406.294 5.779 0 40 HKAB Cc1nc(Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c2oc3ccccc3c2n1 17208988 OZKKUSUFKBZAOV-UHFFFAOYSA-N 424.485 6.410 0 40 HKAB CCOc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccncc2)cc1 19823232 PYQMNHXFNHWGGA-UHFFFAOYSA-N 406.486 5.159 0 40 HKAB COc1ccc(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OC 20110599 LYZHWAJUSYGRFC-UHFFFAOYSA-N 407.535 5.025 0 40 HKAB Cc1ccc(CNc2c(S(=O)(=O)c3ccc(C)cc3)cnc3ccc(F)cc23)cc1 20265403 CHFSDXMGQOYMGW-UHFFFAOYSA-N 420.509 5.436 0 40 HKAB CCc1cc(=O)oc2c3c(ccc12)OCN(CCc1ccc(Cl)cc1Cl)C3 20610290 WPAFWILUECYSQQ-UHFFFAOYSA-N 404.293 5.057 0 40 HKAB biogenic Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSC1=Nc2ccccc2CS1 22022192 NZBXEELCUKKOBN-UHFFFAOYSA-N 408.552 5.095 0 40 HKAB CCN(CC)CCNCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 22074940 PEOCFLFGVYDLHU-UHFFFAOYSA-N 411.373 5.012 0 40 HKAB CCOc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1OCC 22518277 FDLZNEDPIKSKAY-MHZLTWQESA-N 417.549 5.631 0 40 HKAB CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCCC2)cc1 28293427 VDYCJCYDQUIJRP-RUZDIDTESA-N 422.613 5.728 0 40 HKAB CSc1ccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)cc1 28484898 NLWNCTDDNZTGMI-UHFFFAOYSA-N 405.548 5.601 0 40 HKAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 30943711 WCOYJJKWPRFBFQ-FXAWDEMLSA-N 419.396 5.343 0 40 HKAB Cc1noc(C)c1CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl 32727203 KFSJUAMKCNWCQQ-UHFFFAOYSA-N 403.265 5.010 0 40 HKAB Cc1cc(C)n(CCC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)n1 32888518 PAEHQCIJJGPOKW-UHFFFAOYSA-N 401.344 5.021 0 40 HKAB O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1ccc2ncsc2c1 40005413 MHSVAPRWUWLZFV-UHFFFAOYSA-N 403.294 5.100 0 40 HKAB CCCCCc1ccc(NC(=O)COc2ccc(I)cc2)cc1 40160097 COQKRZAJNHPHLC-UHFFFAOYSA-N 423.294 5.041 0 40 HKAB C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 48362434 DGTLJMKUAREVQN-BTYIYWSLSA-N 407.514 5.118 0 40 HKAB CCCCN1CN(c2nc3ccccc3s2)CN(c2nc3ccccc3s2)C1 57396317 WOSGNLAGAKLKFE-UHFFFAOYSA-N 409.584 5.207 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c1C 58157575 FZWUNMBKWDFOAJ-UHFFFAOYSA-N 410.543 5.391 0 40 HKAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Br)c1 59475445 XDCKHEPBFLTTFW-UHFFFAOYSA-N 402.210 5.509 0 40 HKAB O=C(c1cnc2ccc(Cl)cc2c1Nc1cccc(C(F)(F)F)c1)N1CCCC1 64658315 KJMSBKUGILDYCS-UHFFFAOYSA-N 419.834 5.887 0 40 HKAB COc1ccccc1Cn1c(SCc2ccc(F)c(F)c2)nc2ccccc2c1=O 67258456 IEYLQCLNIGBKQU-UHFFFAOYSA-N 424.472 5.024 0 40 HKAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1C(=O)c1cccs1 69614724 BIIGRNRVVZTDRZ-UHFFFAOYSA-N 403.425 5.270 0 40 HKAB COc1ccc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCCCCC2)cc1OC 71286433 MXXFFOSPMCACRN-LJQANCHMSA-N 401.532 5.387 0 40 HKAB CCc1ccc(C(=O)N2C[C@H](C(C)C)N(C(=O)c3ccc(CC)o3)c3ccccc32)o1 72307944 KTAFTDFXKFQEAE-OAQYLSRUSA-N 420.509 5.329 0 40 HKAB CCN(Cc1cccc(Cl)c1)C(=O)c1sc2ccccc2c1C[S@@](C)=O 84777522 CUMNSWIEHTUFTB-SANMLTNESA-N 405.972 5.096 0 40 HKAB COc1cc([C@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc(OC)c1O 102535230 YRVKOOIDEYPGQN-HSZRJFAPSA-N 422.525 5.898 0 40 HKAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c12 104066232 JFULHIBXQNDSLL-WRGRXTPVSA-N 414.553 5.161 0 40 HKAB COc1ccc(OC)c([C@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)c1 104153707 SCLYOMUCFKMQOA-XMMPIXPASA-N 401.487 5.954 0 40 HKAB CS[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118932477 CSDNFDRMMGNTCT-FVEYCNCKSA-N 416.759 8.759 0 40 HKAB Cc1cc(C)c2[nH]c(C)c(CC(=O)Nc3ccc4c(c3)nc(C(F)(F)F)n4C)c2c1 141535796 SCECHMHBIXCOSK-UHFFFAOYSA-N 414.431 5.180 0 40 HKAB CN(C)[C@@H](C(=O)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(Cl)cc1 141547814 FRPSKCSJBNSQMF-OAQYLSRUSA-N 421.953 5.858 0 40 HKAB C[Si](C)(C)c1c(Cl)c(I)cc(C(F)(F)F)c1Cl 219794341 XVWBOHNGIZKQBS-UHFFFAOYSA-N 413.080 5.162 0 40 HKAB O=C(NCc1ccc(Cl)cc1Cl)c1cccc(OCc2ccccc2Cl)c1 219837757 OFUNKRVIURUISO-UHFFFAOYSA-N 420.723 6.156 0 40 HKAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cccc(OCc2ccccc2)c1 223499252 MFRLKXQCXFUAST-UHFFFAOYSA-N 421.909 5.690 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccc2ccccc2c1 224310415 GIVSSACXRLKPHI-LJQANCHMSA-N 411.501 5.918 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)c1ccccc1-c1ncc(-c2ccccc2)o1 224894159 XINWYFRUCOXYFG-UHFFFAOYSA-N 408.379 6.280 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 224901197 BJJZQEJXDJIXNT-QHKNXTSZSA-N 416.521 5.263 0 40 HKAB CCC1(CC)C[C@H](NC(=O)Cc2cccc(Br)c2)c2ccccc2O1 225611634 SWHNXOZLVQEATI-SFHVURJKSA-N 402.332 5.190 0 40 HKAB COc1cc(C)c(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1C(C)C 225664294 ZDPXSHCZCXUCLR-UHFFFAOYSA-N 408.542 5.396 0 40 HKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225827052 PPGLYYWEMNVRBD-UZUQRXQVSA-N 407.551 5.355 0 40 HKAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260816742 PMABKURIJQUDRM-GBXCKJPGSA-N 404.595 5.111 0 40 HKAB O=C(CSc1cccc2ccccc12)N1c2ccccc2S[C@@H]2C=CC=C[C@H]21 408543853 RYTMQLGHKWODCX-DENIHFKCSA-N 401.556 5.934 0 40 HKAB O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccc(-c2nc3ccccc3o2)cc1 408627959 OTSFWUQDEHPFOP-UHFFFAOYSA-N 400.522 5.718 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)cc1 408693604 AUQMKJRSBYKMLJ-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 408699816 WJHLIXAFSKWYQO-UHFFFAOYSA-N 424.838 5.427 0 40 HKAB COc1ccccc1NC(=O)c1nc(-c2ccc(C)cc2)n(-c2cc(C)ccc2C)n1 408700020 YLOICTYOFUNDLK-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB O=C(Nc1ccc2sc(C(=O)N3CCCC3)cc2c1)c1ccc(Cl)cc1Cl 408713350 UVIDVAVRLITGCQ-UHFFFAOYSA-N 419.333 5.696 0 40 HKAB CCC1=CSC2=NC(C)=C(C(=O)Nc3ccccc3)[C@H](c3ccc(C)c(OC)c3)N12 408989021 JIISWQMNRWBREW-QFIPXVFZSA-N 419.550 5.627 0 40 HKAB CCc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccc(Cl)cc2)cc1 409094004 CHRANHDMGNSATD-UHFFFAOYSA-N 423.944 6.582 0 40 HKAB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1cccc2ccccc12 409109665 IXTWXILLKJZPGA-JLPGSUDCSA-N 421.496 6.310 0 40 HKAB Cc1cc(C)cc(Oc2coc3cc(OCC(=O)OC4CCCCC4)ccc3c2=O)c1 703387 FSCNQECHAGIWQS-UHFFFAOYSA-N 422.477 5.457 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nnc2c(C)cc3c(C)ccc(C)c3n12 929675 VPWODPMJJOTXNL-UHFFFAOYSA-N 404.539 5.155 0 40 HKAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c(C)c1 937744 ZLFTXRGLCKJCOK-QGZVFWFLSA-N 406.457 5.101 0 40 HKAB O=C(C[C@H](Sc1cccc2cccnc12)c1ccc(Cl)cc1)c1cccs1 1096544 LAAZXWFNGMEGJG-NRFANRHFSA-N 409.963 7.056 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl 1167529 LSACCEDUWBPNAS-FHXOWUIVSA-N 419.308 5.264 0 40 HKAB COc1ccc(C2=C(CN(C)C)[C@H](c3ccccc3)c3ccccc3O2)cc1OC 1322648 LZZCQGRDBHQTFA-RUZDIDTESA-N 401.506 5.201 0 40 HKAB biogenic Cc1ccc(-c2cc3nc(-c4ccccc4)cc(NCC(C)(C)CN(C)C)n3n2)cc1 1341222 XZBFAENKMSQPHT-UHFFFAOYSA-N 413.569 5.371 0 40 HKAB CCCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 2085700 JTURQGGMJNGAAL-RUZDIDTESA-N 400.522 6.335 0 40 HKAB COc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 2093692 HIOLXJIQSUNGSV-UHFFFAOYSA-N 420.311 6.641 0 40 HKAB Cc1ccc(Nc2nnc(SCC(=O)c3ccc(OC(F)F)cc3)s2)cc1C 3221262 KWYNMWDKSYKYBD-UHFFFAOYSA-N 421.494 5.475 0 40 HKAB O=C(CSc1nc2cc(Cl)ccc2o1)c1nnc(-c2ccc(Cl)cc2)o1 3287850 ZBUVICPLZXSZOH-UHFFFAOYSA-N 406.250 5.160 0 40 HKAB O=C(COC(=O)c1c(Cl)ccc(Cl)c1Cl)Nc1ccccc1OC(F)F 3344176 PMJGVLPZRNMBBG-UHFFFAOYSA-N 424.614 5.044 0 40 HKAB CCCCOP(=O)(COP(=O)(OCC(C)C)OCC(C)C)OCCCC 4705694 RUTBZFYBZBEBFT-UHFFFAOYSA-N 416.432 6.240 0 40 HKAB Cc1nc2c(-c3ccccc3)c(C)nn2c(N2C[C@@H](C)C[C@H](C)C2)c1Cc1ccccc1 5246074 CHEBYCYMYWTTNK-PMACEKPBSA-N 424.592 6.086 0 40 HKAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccc(Cl)cc4Cl)nnc32)c(C)c1 5252463 WOQGODLFFGQTNJ-UHFFFAOYSA-N 409.280 5.054 0 40 HKAB CCOc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@H](c3ccccc3)C2)cc1 5258679 XMKONUNVNXDWKE-QHCPKHFHSA-N 404.897 5.730 0 40 HKAB Cc1ccccc1Cn1c([C@@H](C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21 5545912 OXUBEGGZCJDNRJ-QGZVFWFLSA-N 403.913 5.537 0 40 HKAB COC(=O)c1sc2cc(NC(=S)N3CCCc4ccccc43)ccc2c1Cl 6397332 IUWUGHZHQUEGKP-UHFFFAOYSA-N 416.955 5.491 0 40 HKAB O=C(CSc1nc2ccccc2n1Cc1ccccc1)Nc1ccc(Cl)cc1 6628866 NZTSDFLNAUSGNP-UHFFFAOYSA-N 407.926 5.469 0 40 HKAB CC(C)N(Cc1ccccc1)c1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 6858920 WZNZHWNBWXLUEC-UHFFFAOYSA-N 418.544 6.503 0 40 HKAB Cc1cc(C)cc(-c2nnc(S[C@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)o2)c1 8392637 GTZBQKKVWCZNJP-CYBMUJFWSA-N 412.540 5.122 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1COc1ccccc1 8429342 XLGDAGAHUOQWJI-KRWDZBQOSA-N 402.519 5.709 0 40 HKAB COc1ccc2ccc(OCC(=O)N[C@H](c3ccccc3)c3cccs3)cc2c1 8558190 IZYIREGLCIIWDK-XMMPIXPASA-N 403.503 5.195 0 40 HKAB C[C@H](Cc1cccs1)N(Cc1ccccc1)C(=O)/C=C/c1nc2ccccc2o1 8727783 SYWUPTZEXHEPPS-KAUXGEHWSA-N 402.519 5.563 0 40 HKAB CC(C)c1nc2sc3c(=O)n(CCc4ccccc4)cnc3c2c2c1CCCC2 8993571 LCODDACOFXDEFT-UHFFFAOYSA-N 403.551 5.251 0 40 HKAB Cc1cc(C(=O)CSc2nnc(C)n2-c2ccccc2)c(C)n1Cc1cccs1 9507252 VIXXGDSIBXTWHK-UHFFFAOYSA-N 422.579 5.079 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)c1cccc(NS(=O)(=O)c2ccccc2)c1 10333401 HJXABKCVRPTVJD-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 11915924 AIRAKTUHVQILDF-UHFFFAOYSA-N 408.567 5.513 0 40 HKAB CCCOc1cc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)nc(C)n1 12226002 WBCYQNFVPSKJCT-UHFFFAOYSA-N 411.893 5.615 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1-n1ccnc1 12559298 GQLUWAHWJWZYDI-UHFFFAOYSA-N 415.202 5.842 0 40 HKAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2ccccc2Oc2ccccc2)s1 12786671 JHXNVOYCZRRDKR-UHFFFAOYSA-N 418.493 6.231 0 40 HKAB CCc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccc4nccnc4c3)C2)cc1 13721235 FCRUIEGDFFWBFT-VWLOTQADSA-N 406.489 5.184 0 40 HKAB CCSc1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)s1 13956468 NSPYAJGOCGSESK-UHFFFAOYSA-N 420.563 5.734 0 40 HKAB CCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 16757934 KJPXAMNQQKQDIB-UHFFFAOYSA-N 410.340 5.962 0 40 HKAB Cc1cc(C)cc(OCc2nnc(NC(=O)Nc3ccc(Cl)cc3Cl)s2)c1 17058928 VAWWUGFGPMHNLT-UHFFFAOYSA-N 423.325 5.685 0 40 HKAB Cc1ccc(C(=O)N2CCC[C@@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)cc1F 19214456 LALIMMOTOJSBIG-CQSZACIVSA-N 405.395 5.049 0 40 HKAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2C(=O)C2CCCC2)n1 19694446 QFKJBQMIGCTDAO-HXUWFJFHSA-N 412.965 5.107 0 40 HKAB Cn1c(C(=O)NC[C@H]2CCCO2)c(-c2ccc(Cl)cc2)c2cc(Cl)ccc21 19894319 MNRVJGSZAQNAJY-MRXNPFEDSA-N 403.309 5.061 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 20451916 WIJGJTBXCLNFNB-VPUSJEBWSA-N 409.529 6.211 0 40 HKAB Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OCN(CCc1cccs1)C3 20647193 JNZGWAMPVUPKMW-UHFFFAOYSA-N 403.503 5.225 0 40 HKAB biogenic CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2c(C)cccc2C)CC1=O 21524534 KEVNPQPJLRDGTF-OAQYLSRUSA-N 419.569 5.238 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(-c2ccc[nH]2)cs1 28728454 NTBPCVDZSODSSN-UHFFFAOYSA-N 402.838 5.146 0 40 HKAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccccc1SCc1ccccc1 44872084 NSAOBRXUDDNMGJ-UHFFFAOYSA-N 416.590 5.505 0 40 HKAB Cc1cc(/C=C2\OC(=O)c3c(-c4ccccc4)ccc(-c4ccccc4)c32)cc(C)c1C 59501020 DYBCEBHAGPWHNA-IMRQLAEWSA-N 416.520 7.614 0 40 HKAB O=c1c2ccccc2nc(SCc2cc(F)ccc2F)n1Cc1ccc(F)cc1 67259273 JEEJIWRLNAQNHA-UHFFFAOYSA-N 412.436 5.154 0 40 HKAB Cc1cc2c(=O)n([C@@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)c(C)nc2s1 71527554 QCZLUTZWFLCZRH-HNNXBMFYSA-N 419.506 5.067 0 40 HKAB O=C(c1c(F)cccc1Cl)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 77177452 VQOWZRMKSMYPTP-GFCCVEGCSA-N 419.884 5.157 0 40 HKAB Cc1nnc(CCCSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)o1 89736326 HFTBHLTXTNOBEE-UHFFFAOYSA-N 411.918 5.004 0 40 HKAB Cc1nn(C)c(C)c1[C@@H](NC(=O)Nc1ccccc1Oc1ccccc1)C(F)(F)F 95446456 LXUCCFOXLXYKEE-LJQANCHMSA-N 418.419 5.254 0 40 HKAB Cc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2Br)c1 95946315 HMPZUNUFEAETQP-IBGZPJMESA-N 409.283 5.342 0 40 HKAB CCc1ccc(-c2nc3ccc(NC(=S)NC(=O)c4ccc(C)cc4)cc3o2)cc1 98086915 HRNBNCGSZWXHAL-UHFFFAOYSA-N 415.518 5.492 0 40 HKAB COc1ccc(Cl)cc1NC(=O)C12C[C@H]3C[C@H](C1)CC(c1ccc(C)cc1)(C3)C2 104583731 OBMJFYIWHXFLMO-RIZNVZOMSA-N 409.957 6.134 0 40 HKAB COc1ccc(S[C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1OC 216485998 LHUAXNFXJVMHJS-MHECFPHRSA-N 421.562 5.399 0 40 HKAB Cc1ccc(N2CCC(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)CC2)cc1 219856857 KEGVVGIVEVCGLW-UHFFFAOYSA-N 420.940 6.296 0 40 HKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 222897067 YIZXPYHWFAJADE-NHCUHLMSSA-N 411.958 5.686 0 40 HKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(C)cc2)o1 222959590 JTFMEXYRFUKEJM-FGZHOGPDSA-N 423.607 5.907 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1C(C)C 223371776 XWCWKIYGBCNQJE-IRXDYDNUSA-N 403.950 5.734 0 40 HKAB COc1ccc(/C=C(/C(=O)NCCOc2cccc3ccccc23)c2ccccc2)cc1 223510025 IKNSFUVQVQTMJZ-LHLOQNFPSA-N 423.512 5.584 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccccc1C(C)C 224227910 BHOABLGHVICBHK-UHFFFAOYSA-N 403.522 6.267 0 40 HKAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1cc(C)cc(C)c1C 224612884 DHLCRFVNOKZBRI-UHFFFAOYSA-N 417.549 5.862 0 40 HKAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)cc1C(F)(F)F 224864185 WMLMNVVECAAGGJ-UHFFFAOYSA-N 412.770 5.724 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3OC)o2)cc1 224919360 MKXHZIRPEGCADD-UHFFFAOYSA-N 414.461 5.668 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224925827 IIOMJFPJAKGIIY-UHFFFAOYSA-N 406.844 6.362 0 40 HKAB CC(C)(C)c1ccc(O[C@H](Cc2ccccc2Sc2ccccc2)C(=O)O)cc1 225131005 UXRRQFGLNOBSEK-JOCHJYFZSA-N 406.547 6.210 0 40 HKAB CC[C@@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(OC)cc1 225488759 QTOHKTMVIAOUJN-MRXNPFEDSA-N 413.768 5.549 0 40 HKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225745754 DXZVBTNARMVXHV-BWKNWUBXSA-N 418.622 5.501 0 40 HKAB C[C@@H]1C[C@@H](C)CN(C[C@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)C1 231432874 DKQZZSIPHROKMK-XPNTWCBSSA-N 419.650 5.135 0 40 HKAB CC(C)Cc1ccc(C[C@]2(C)CCc3cccc(-c4ccc(C(=O)O)cc4)c3O2)cc1 257284041 PAZZYEJMHPFANB-NDEPHWFRSA-N 414.545 6.577 0 40 HKAB COc1cc(C(=S)NCc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 408571987 DRQDSNZWAQUAHK-UHFFFAOYSA-N 411.954 5.701 0 40 HKAB Oc1nc(CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)nc2ccccc12 408581590 JEXWWVBIKFQSKQ-UHFFFAOYSA-N 414.412 5.104 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)/C=C/c1ccc(Cl)cc1 408625551 DVXGTLBPPUXRMP-MDWZMJQESA-N 404.922 6.577 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1 408700004 YGRMMLVKEBGPDS-UHFFFAOYSA-N 402.885 5.402 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)cc2-c2ccc3ccccc3c2)cc1 408724022 CMDCRHCZSRRBRW-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB O=C1NC(=S)N/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 408739407 BOCYPBJVXBOCHO-JWGURIENSA-N 421.525 5.157 0 40 HKAB COc1ccc(CCCc2nnc(SCc3ccc(Cl)cc3Cl)o2)cc1 409020103 ZEWMGERPRYQTFT-UHFFFAOYSA-N 409.338 5.853 0 40 HKAB Cc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)c(C)c1 409117858 PBRMYFRBVYPPSJ-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB COc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(C(C)C)cc3)sc2C)cc1 409198538 BUVSASOQPYWNRO-UHFFFAOYSA-N 422.550 5.852 0 40 HKAB Fc1cccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)c1 409204390 GNGQDPRGPCNDDP-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB CCc1ccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nnc2-c2ccccc2)cc1 409215052 ZJFCWPDZCRFEPN-UHFFFAOYSA-N 422.598 5.234 0 40 HKAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(-c3cnccc3C)ccc21 643589503 YNXHQCFMHXMDNS-UHFFFAOYSA-N 407.602 5.832 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccn2)N2CCC(C)CC2)c1C 936770 HSTZBRUOWGXBBL-QHCPKHFHSA-N 419.594 5.834 0 40 HKAB CC(C)(C)c1cc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc(C(C)(C)C)c1O 1816473 KHIKJXCMDHIUIT-NHCUHLMSSA-N 420.553 5.157 0 40 HKAB biogenic O=C(COc1ccc(-c2ccccc2)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1 1916410 VQHYKWRDJASTTL-UHFFFAOYSA-N 420.921 6.148 0 40 HKAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)[C@H](CC)c2ccccc2)c1 2073517 BFZCZCBUHQEYQJ-OAQYLSRUSA-N 402.494 5.470 0 40 HKAB CCn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2237549 XCGKGZWNINADFQ-UHFFFAOYSA-N 416.590 5.981 0 40 HKAB O=C(/C=C/c1cccc2ccccc12)Nc1ncc(Cc2ccccc2Cl)s1 2669433 HHLCENQJTWVVBF-OUKQBFOZSA-N 404.922 6.192 0 40 HKAB O[C@@H](CN(Cc1ccccc1)Cc1ccccc1)Cn1c2ccccc2c2ccccc21 3078628 MAIAKFREYFMMMC-VWLOTQADSA-N 420.556 5.858 0 40 HKAB O=C(Nc1ccccc1)c1ccccc1OCc1nnc(-c2ccc(Cl)cc2)o1 3418125 OPBYZPHGOWLODA-UHFFFAOYSA-N 405.841 5.221 0 40 HKAB Cc1ccccc1OCC(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 3655403 LRVXTLJEEYNHSR-UHFFFAOYSA-N 403.409 5.129 0 40 HKAB Cc1ccccc1C(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 4119657 TWKSWHMZTOCKAW-UHFFFAOYSA-N 421.488 5.131 0 40 HKAB COc1ccc(-c2nnc(SCC(=O)c3c(C)[nH]c4ccccc34)n2C(C)C)cc1 4549131 BVVWAHYVFGRAPC-UHFFFAOYSA-N 420.538 5.299 0 40 HKAB Cc1cc2nc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)sc2cc1C 4586164 AIUFTVPYASXQOC-UHFFFAOYSA-N 403.551 5.275 0 40 HKAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 4678276 JWMCNGZAHWTGLW-LNOKMCRLSA-N 412.508 6.375 0 40 HKAB FC(F)(F)c1cc(-c2ccccc2)nc2c(-c3ccccc3)c(-c3ccccc3)nn12 4742340 TWWZTKIKDBGACU-UHFFFAOYSA-N 415.418 6.749 0 40 HKAB Cc1noc(C)c1CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C 4800655 IKYKDLYTUYFDHR-UHFFFAOYSA-N 411.358 5.805 0 40 HKAB CCCCSc1nc2c(c(=O)n1-c1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 4900440 VLGQGDUQOLAJKS-VWLOTQADSA-N 404.579 6.016 0 40 HKAB CCOc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 6656458 FUBQZDDXCLMDSY-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB CCc1ccccc1N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)o1 6794630 IQYNHDOMYRZHPJ-NRFANRHFSA-N 407.876 6.293 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)NCCSc1c[nH]c2ccccc12 6884955 RWQFUKHZYAARTR-UHFFFAOYSA-N 400.547 5.598 0 40 HKAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 7141166 QKCXBWJFIAIRSX-PXNSSMCTSA-N 406.551 5.796 0 40 HKAB CCCn1c(SCc2csc(-c3ccc(F)cc3)n2)nc2ccccc2c1=O 8195394 ALOGCJODPZCPLT-UHFFFAOYSA-N 411.527 5.361 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2F)o1)N1CCC(c2nc3ccccc3o2)CC1 8325223 SIRLKZSITIVZRH-ZRDIBKRKSA-N 416.452 5.646 0 40 HKAB Cc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C3 8559448 DLVVPFVQBDAVRD-FQEVSTJZSA-N 413.496 5.880 0 40 HKAB CCOc1ccc(-c2cc(OC(=O)c3ccc(OC)cc3)cc3sc(=O)oc23)cc1 9430720 BRWPWERLYPNTEK-UHFFFAOYSA-N 422.458 5.148 0 40 HKAB CCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 12194304 RFFLSYKZNDQANK-XNMGPUDCSA-N 412.533 6.498 0 40 HKAB CNC(=O)c1ccc(CN(Cc2csc(-c3ccsc3)n2)Cc2ccco2)cc1 12761696 BTJGVKYVVFTFAS-UHFFFAOYSA-N 423.563 5.027 0 40 HKAB CC(C)(C)c1noc(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)n1 12927775 NHOIPJUQXHFZFR-UHFFFAOYSA-N 423.517 5.105 0 40 HKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 13685393 NEXLQEANZNDVBQ-GOSISDBHSA-N 416.521 5.308 0 40 HKAB CC(=O)Nc1cc(C)c(C)cc1-c1csc(NC(=O)c2ccc3ccccc3c2)n1 14112018 SFJJZLNOGXCNBA-UHFFFAOYSA-N 415.518 5.791 0 40 HKAB CN(Cc1ccc(Cl)c(Cl)c1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S 14182045 XEDHRCGHBKMBQR-UHFFFAOYSA-N 420.369 5.207 0 40 HKAB COc1ccc(-c2c(C)nn3c2N=C(c2cccc(OC)c2)C[C@H]3c2ccccn2)cc1 14607611 ZXLNEVHBWNWYKU-DEOSSOPVSA-N 424.504 5.385 0 40 HKAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(-c3ccccc3)s2)NC(=S)N1 14877900 GTYRFSFAHMQLGI-NRFANRHFSA-N 419.575 5.155 0 40 HKAB Cc1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3c(-c3ccccc3)c12 16266070 BJBJZSAXPZFAEE-UHFFFAOYSA-N 404.300 6.856 0 40 HKAB Cc1ccc(C)c(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)c1 16757608 AFAGYTPBBNAYDG-UHFFFAOYSA-N 421.569 6.997 0 40 HKAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(OCC)c(Cl)c3)cc2s1 17091262 FPZCBNSPHVOUMV-UHFFFAOYSA-N 417.918 5.339 0 40 HKAB Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 19691105 FCIKAVXKQNZBBH-UHFFFAOYSA-N 409.533 5.487 0 40 HKAB Cc1ccc(CNc2c(S(=O)(=O)c3ccccc3)cnc3ccc(C)cc23)cc1 20382402 MSJSPWGKGMIDFI-UHFFFAOYSA-N 402.519 5.297 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 20462588 DTMHZBMFDCZWLL-RUZDIDTESA-N 403.522 5.791 0 40 HKAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 21787514 ILLJDUNFIYNPJN-QFIPXVFZSA-N 411.933 5.232 0 40 HKAB O=C(Nc1cccc(-c2nnco2)c1)c1sc(-c2ccccc2)nc1-c1ccccc1 23146752 NSSDLSGLWQIQQK-UHFFFAOYSA-N 424.485 5.779 0 40 HKAB O=C(Cc1csc(-c2ccccn2)n1)OCc1sc2ccccc2c1Cl 26887639 XTDCMROWCSTURU-UHFFFAOYSA-N 400.912 5.359 0 40 HKAB CN(C)c1ccc(/C=C2\CCCc3c(-c4ccccc4)cc(-c4ccccc4)nc32)s1 27515389 YOQCQAXQWYIXKK-RELWKKBWSA-N 422.597 7.420 0 40 HKAB Cc1cccc(O[C@@H](C)C(=O)Nc2cc(-c3ccc(Br)cc3)no2)c1C 27794260 ZVPCWFZLRLFQKR-AWEZNQCLSA-N 415.287 5.127 0 40 HKAB Cc1nc2ccc(C(=O)Nc3nc(-c4ccc(Cl)s4)cs3)cc2nc1C 32740657 JAXPFZBWRBXGAJ-UHFFFAOYSA-N 400.916 5.337 0 40 HKAB O=c1c2c(ncn1Cc1ccccc1)c1cc(F)ccc1n2Cc1ccccc1Cl 35400298 SFLCKZOMHKDTQK-UHFFFAOYSA-N 417.871 5.240 0 40 HKAB COc1ccc([C@H]2CCCCCN2C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1 40005363 NAKRWFPAMRUAEP-JWQCQUIFSA-N 418.537 5.103 0 40 HKAB Clc1ccc(-c2noc(CCCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 41154609 AEOFYPNMYHPCRH-UHFFFAOYSA-N 401.253 5.269 0 40 HKAB CC(C)NC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 44086114 OXLGQQNTZLJWTL-UHFFFAOYSA-N 420.365 5.463 0 40 HKAB COc1cc(NC(=O)c2ccccc2Cl)ccc1NC(=O)c1cc2ccccc2o1 59056280 OIPIZQZMALQEDJ-UHFFFAOYSA-N 420.852 5.599 0 40 HKAB CC(C)n1ncc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1C(F)(F)F 60337116 MMWNDYPYNQEEMF-UHFFFAOYSA-N 421.394 5.344 0 40 HKAB O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1CCc1ccccc1 67259317 QHYHCFHJGFLXAC-UHFFFAOYSA-N 408.473 5.210 0 40 HKAB CCOc1ccc(-c2[nH]ncc2C(=O)N2CCC(Cc3ccccc3)CC2)cc1Cl 72328705 VSJPMOFVESORQR-UHFFFAOYSA-N 423.944 5.224 0 40 HKAB CCN(CC)C(=O)[C@H](OC(=O)/C=C\c1ccc(Cl)c(Cl)c1)c1ccccc1 96887812 HEPHXUBUMAYNDS-DDNJPHGJSA-N 406.309 5.160 0 40 HKAB O=C1Nc2ccccc2[C@@]12C=C(c1ccc(F)cc1)Nc1cc(Cl)ccc1S2 101493979 RPGXVYFOABIXFE-QFIPXVFZSA-N 408.885 5.885 0 40 HKAB O=C(NC1CCCCCCC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 219961713 OAKCBRRYPMNZDY-UHFFFAOYSA-N 418.625 5.984 0 40 HKAB Cc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2)c(C)c1 223150397 PFFWTGCIWRBLNG-KDYSTLNUSA-N 413.561 5.855 0 40 HKAB Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 223361204 KIAJWGMHXSEIGE-FCHUYYIVSA-N 419.481 5.246 0 40 HKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Br)c(Cl)c1 224162980 ZIVWMCQPQBMOHG-LBPRGKRZSA-N 408.723 5.387 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1c1ccccc1 224174189 HQKLDGKQQPYHFS-GOTSBHOMSA-N 402.567 5.565 0 40 HKAB Fc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1 224175386 NJWXYRWPZMCGOL-DHIUTWEWSA-N 414.509 5.189 0 40 HKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C 224233473 WELPFTNGCUKYAX-VWLOTQADSA-N 420.597 5.021 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccc(Cl)cc1 224497858 YLNFWYAUSINCAH-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCN3C[C@H](C)C[C@@H](C)C3)cc2)CCCCC1 225657241 GPKIKXAIFHIWIX-NHCUHLMSSA-N 416.606 5.111 0 40 HKAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225689521 AZYIGLLFSDGIJG-GBXCKJPGSA-N 404.595 5.110 0 40 HKAB CC(C)Oc1cccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)c1 225867918 INFDCEUKARJJOO-UHFFFAOYSA-N 417.018 6.359 0 40 HKAB CCCc1s/c(=N\C(=O)c2cccc3ccccc23)n(CC)c1-c1ccc(F)cc1 408562671 RHUBSUDAXJUXHC-RFBIWTDZSA-N 418.537 6.222 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)c4ccccc4)cc3)cc2)cc1 408672568 NXHSIEPDXLIYFE-UHFFFAOYSA-N 422.484 6.292 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1C 408677099 AHRSZSVTUNYBHI-OAHLLOKOSA-N 412.382 5.427 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2cccc(C)c2C)c1 408698178 LTOKWWVVSZTQTM-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C)c(C)c4)c3n2)cc1 649090 XSLACDFYXUXNRI-UHFFFAOYSA-N 422.435 5.212 0 40 HKAB CCOc1ccc2c(c1)[C@]1(C)CC(C)(C)N2C(=O)N1c1ccc(Cl)c(Cl)c1 1103173 DMGHQBGWERIGRJ-NRFANRHFSA-N 405.325 6.236 0 40 HKAB Cc1ccc2cc(CN(C(=O)Nc3ccc(F)cc3)C3CCCCC3)c(=O)[nH]c2c1 1352760 VCBIQOALTJKOMY-UHFFFAOYSA-N 407.489 5.342 0 40 HKAB Cc1cccc(NC(=O)CSc2nc(COc3ccccc3)nc3ccccc23)c1 1356081 ZBHJLMHQFBUBIG-UHFFFAOYSA-N 415.518 5.248 0 40 HKAB CCCOC(=O)[C@@H](CC)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 1770234 DCHPARBQWIFMSK-LJQANCHMSA-N 400.858 5.224 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(F)c1)N(c1nc(C)c(C)s1)C3=O 2377362 PRWYDEZAYWGTKE-IBGZPJMESA-N 420.465 5.064 0 40 HKAB CCCc1nc2sc3c(NCCCOCC)nc(SC)nc3c2c2c1CCC2 2414115 IEPMGHSVGQFKPS-UHFFFAOYSA-N 416.616 5.241 0 40 HKAB Cc1cc(-c2csc(Nc3ccccc3C(F)(F)F)n2)c(C)n1C[C@@H]1CCCO1 2645434 SHOBZTNKIJHZTD-HNNXBMFYSA-N 421.488 6.170 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c1 2652003 MHSKPHHJTBBDNS-UHFFFAOYSA-N 423.469 5.385 0 40 HKAB COC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC[C@@H](C(C)(C)C)C2 2752413 RNTUGXVLFGQVJL-GFCCVEGCSA-N 405.947 5.591 0 40 HKAB CCOc1ccc(N[C@@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)cc1 3034900 DAFQQIXZLZHWNT-RORWEDLISA-N 413.732 5.023 0 40 HKAB Cc1ccc(SCc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 3117045 PYWDYXYAWAIYKS-UHFFFAOYSA-N 402.346 6.846 0 40 HKAB COc1ccc2cc(-c3nn(-c4ccc(F)cc4)cc3C)ccc2c1Br 3118823 XJLJHESHMVDJQB-UHFFFAOYSA-N 411.274 5.911 0 40 HKAB O=c1[nH]c(CN2CCC(Cc3ccccc3)CC2)nc2scc(-c3ccccc3)c12 3344733 PTKOYJFFSSUAOM-UHFFFAOYSA-N 415.562 5.106 0 40 HKAB Cc1[nH]c2ccccc2c1[C@H]1[C@H](CCNC(=S)Nc2cccc(Cl)c2)C1(C)C 3765652 KFGFLWQLCLUQBL-GHTZIAJQSA-N 412.002 6.246 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C(C(=O)c1ccccc1)C(=O)c1ccccc1 3846294 MEJYXHVXOXPRNY-STZQEDGTSA-N 406.522 5.372 0 40 HKAB biogenic CC(C)Oc1ccc(C(=O)Nc2nnc(SCc3cccc(F)c3)s2)cc1 4087828 UGWWEXSDUHDZRG-UHFFFAOYSA-N 403.504 5.009 0 40 HKAB Cc1cccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 4289735 GQRAQSBPJNYHHL-UHFFFAOYSA-N 408.306 5.895 0 40 HKAB C[C@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)c1ccccc1Cl 4500456 MBVKTMPUUNHYLE-KGLIPLIRSA-N 404.942 5.536 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Nc1cccc(Cl)c1 4591287 GNDNPPLGMKFPHR-UHFFFAOYSA-N 414.914 6.198 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2OC)cc1 4906270 XSYIZUWAJHLRBD-ZJSXRUAMSA-N 420.896 5.600 0 40 HKAB Cc1cc(Nc2ccc(Cl)cc2)nc(SCc2c(Cl)cccc2Cl)n1 4976964 NFNKBIZKAJQEDX-UHFFFAOYSA-N 410.757 6.781 0 40 HKAB COc1ccc(C(=O)N(Cc2ccccn2)c2nc3c(Cl)cccc3s2)cc1 5264908 RXLBDQXEUORVEH-UHFFFAOYSA-N 409.898 5.200 0 40 HKAB COc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3ccc(C)o3)C[C@H]21 5547613 CVCMWUXOYVCAHG-AUSIDOKSSA-N 406.507 5.561 0 40 HKAB COc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3Cl)no2)cc1 5557036 AMGDLLSMOKSNTD-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 6235020 SYHLNQIVIUQHSN-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CC(C)(C)c1ccccc1NC(=O)CSc1nnc(Nc2ccccc2F)s1 6515949 PYQFQUJEIVLXHQ-UHFFFAOYSA-N 416.547 5.449 0 40 HKAB Cc1n[nH]c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)S[C@H](C)C(=O)N2 6678750 SMRBDJZKBDUHKC-YJYMSZOUSA-N 413.930 5.114 0 40 HKAB Cc1ccc2nc(SCC(=O)N[C@H](c3ccc(F)cc3)c3cccs3)[nH]c2c1 8065675 NKDZCPBOBGKENU-HXUWFJFHSA-N 411.527 5.070 0 40 HKAB O=C(c1ccccc1)c1ccc(Oc2ccc(Cl)cc2N[C@@H]2CCOC2=O)cc1 8130858 MBYTZHWPSLNGPF-LJQANCHMSA-N 407.853 5.091 0 40 HKAB Cc1ccc(-c2csc3ncnc(SCC(=O)N[C@@H](C)c4ccco4)c23)cc1 8325493 VKGFSOSJMZCYPY-AWEZNQCLSA-N 409.536 5.229 0 40 HKAB CC(=O)N[C@@H](CC(=O)N(c1ccccc1)c1nc2ccccc2s1)c1ccccc1 8342867 IWHZOGCNQREYRT-NRFANRHFSA-N 415.518 5.229 0 40 HKAB Fc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 8871027 UCHNIEIFMWZGTG-UHFFFAOYSA-N 419.257 5.537 0 40 HKAB O=C(Nc1c(-c2cc(=O)oc3ccc(Cl)cc23)oc2ccccc12)c1cccs1 9304266 VETFEEADSJSAQB-UHFFFAOYSA-N 421.861 6.173 0 40 HKAB C[C@H]1C[C@@H](NC(=O)c2csc(NC(=O)Nc3ccc(Cl)cc3)n2)CC(C)(C)C1 9319036 HXVPWAZVCKJZBP-SWLSCSKDSA-N 420.966 5.385 0 40 HKAB Cc1oc2c(C)c3oc(=O)c(CC(=O)Nc4ccc(Cl)cn4)c(C)c3cc2c1C 9340310 YQMVQHDEYRJVAF-UHFFFAOYSA-N 410.857 5.002 0 40 HKAB COc1ccccc1C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1cccc(C)c1 9360331 SEOLWBHMIYYJEZ-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB CCOc1cccc2cc(-c3csc(NC(=O)c4ccccc4SC)n3)oc12 10750590 DWXCINWPNPQBAP-UHFFFAOYSA-N 410.520 5.929 0 40 HKAB COc1ccc(C)cc1NC(=O)Nc1ccc(Nc2cc(OC(C)C)nc(C)n2)cc1 11613283 WAFYIQNOXCLDBK-UHFFFAOYSA-N 421.501 5.277 0 40 HKAB CCOc1ccc(NC(=O)Nc2ccc(Nc3cc(OC(C)C)nc(C)n3)cc2)cc1 11613289 BGNLXYBSMWZKEP-UHFFFAOYSA-N 421.501 5.359 0 40 HKAB O=C(/C=C/c1cccc2cccnc12)OCc1csc(COc2ccc(F)cc2)n1 13021778 UAQNXRPCLUWPOD-IZZDOVSWSA-N 420.465 5.166 0 40 HKAB Cc1ccc(CS(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 13671271 KMONGBIXFAKIKV-UHFFFAOYSA-N 417.983 5.883 0 40 HKAB COC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(C)cc2)[nH]c2ccccc12 13838093 IIGVODOKKYCPMK-SANMLTNESA-N 424.500 5.252 0 40 HKAB Cc1cccc(OCc2nc3ccccc3n2C[C@@H](O)COc2ccc(Cl)cc2)c1 15860774 JVNHWTNIOXZDFM-LJQANCHMSA-N 422.912 5.017 0 40 HKAB Cc1ccccc1Nc1nnc(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)s1 16050604 JJZMJOSCJCSROZ-DPAVQSFQSA-N 404.605 5.012 0 40 HKAB CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 17088147 GUPILCFYPUITOH-FYWRMAATSA-N 408.929 6.407 0 40 HKAB CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 17091572 PTRIDGUAONVUTL-GOSISDBHSA-N 418.562 5.906 0 40 HKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1sc2ccccc2c1Cl 17092539 CFXYOZRGJQUPAL-UHFFFAOYSA-N 420.946 7.084 0 40 HKAB C/C(=C\c1ccccc1)CN1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1 19014354 IVWAMGFTACIZTK-ZCQLBKDISA-N 405.586 5.101 0 40 HKAB CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccccc3Cl)CC[C@H]21 19081648 LJPNMTHROHCWBX-SFHLNBCPSA-N 417.018 5.264 0 40 HKAB O=C(CSc1nnc(-c2cccs2)o1)Nc1ccc(Cl)c(C(F)(F)F)c1 19809896 WNTYGIXKHXDPEJ-UHFFFAOYSA-N 419.837 5.201 0 40 HKAB CC(=O)c1c(C)cc(C)c(CS[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1C 25691113 NYDHYHUGQCQORH-MRXNPFEDSA-N 423.500 6.094 0 40 HKAB O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1ccc2nccnc2c1 32837037 GQPLCBZMAWZJDI-UHFFFAOYSA-N 405.404 5.074 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCc3cn4cc(Cl)ccc4n3)c3ccccc3n2)o1 32950679 MNLFVHYNHKPNAG-UHFFFAOYSA-N 417.852 5.461 0 40 HKAB COc1cc(OC)c(NC(=O)c2cc3cccc(Br)c3o2)cc1Cl 33228098 MCTYZXBNGZBHTP-UHFFFAOYSA-N 410.651 5.118 0 40 HKAB CCOc1cc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)O)ccc1OC 35087827 KYPSWDMEMITTDB-WIZMWCRPSA-N 403.478 5.463 0 40 HKAB C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N1CCC[C@H](c2nc3ccccc3s2)C1 35326254 GMZGSFXWGBIZMI-HOCLYGCPSA-N 408.502 5.426 0 40 HKAB CC(C)(C)c1cc(-c2nc3ccccn3c2Nc2ccccc2)cc(C(C)(C)C)c1O 35615725 SDYJTWMHYSDHCK-UHFFFAOYSA-N 413.565 7.046 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CCC[C@]4(C)[C@@H]3CC[C@]12C 36371727 HYEIEAPRJMJEDC-VKEYYTQXSA-N 400.691 8.067 0 40 HKAB CCOc1c(Br)cc(Br)cc1CNc1cc(C)ccc1C 37215989 BSMFDLVWCKSZSV-UHFFFAOYSA-N 413.153 5.839 0 40 HKAB CCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccccc1SC1CCCC1 58088791 MKJBYUZIBSDBMF-UHFFFAOYSA-N 411.571 5.386 0 40 HKAB COc1ccc([C@@H](NC(=O)/C=C(/c2ccccc2)C2CCCC2)c2ccccc2)cc1 67194142 KXTJATROTDXBTJ-WUBJHQBQSA-N 411.545 6.175 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3c(C)[nH]c4ccccc34)sc2C)cc1OC 79361651 RROKZBAKIZREFP-UHFFFAOYSA-N 407.495 5.178 0 40 HKAB Fc1ccc(-c2nc(CN3CCC[C@H](n4nccc4C(F)(F)F)C3)cs2)cc1 95466156 XBVAFZZLSQUURY-INIZCTEOSA-N 410.440 5.002 0 40 HKAB Cc1ccc([C@H]2N(c3ccccc3)[N]C(c3ccccc3)=NN2c2ccccc2)cc1 100933023 ARYLEXXXGRSCAD-UHFFFAOYSA-N 403.509 5.902 0 40 HKAB COc1ccc(C(=O)N2c3ccccc3N=C3CC(C)(C)CC(O)=C3[C@H]2C)cc1OC 102705578 JOFMCEUNIILQJZ-OAHLLOKOSA-N 420.509 5.457 0 40 HKAB Cc1ccc(N2C(=O)/C(=C/Nc3cccc(Cl)c3)c3ccccc3C2=O)c(C)c1 103005017 ZJNOWFVRZNGZQX-KGENOOAVSA-N 402.881 5.597 0 40 HKAB CC(=O)O[C@H]1C[C@H]2C[C@@H]1[C@@H]1[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 103910993 DOSRQPWOVOSXQH-HHMAUHMQSA-N 424.966 5.036 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 113936118 YDMVDVBSYCXUGX-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3c2c(C)nn3-c2ccccc2)cc1 143804936 FMJUXEWXPNIIAY-UHFFFAOYSA-N 409.920 7.025 0 40 HKAB O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1I 167827726 XPKFSOFPHLDHPK-UHFFFAOYSA-N 414.242 5.238 0 40 HKAB O=C(COc1ccc2ccccc2c1Br)NCCSC1CCCCC1 218902898 YAZJXXOOUHRPPM-UHFFFAOYSA-N 422.388 5.163 0 40 HKAB CC(C)n1c(Cl)nc2cc(C(=O)N(C)Cc3cccn3-c3ccccc3)ccc21 222559411 WRGHBTUTCJBFFZ-UHFFFAOYSA-N 406.917 5.334 0 40 HKAB O=C(CCc1cccc2ccccc12)NCCSCc1c(F)cccc1Cl 222664739 VBLQKVDIYPHPBC-UHFFFAOYSA-N 401.934 5.615 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)NCC1(c2ccccc2)CCOCC1 222869188 TXKVUSKGVOOCDS-UHFFFAOYSA-N 424.393 5.091 0 40 HKAB Cc1cc(O[C@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)cc(C)c1Cl 223699463 ODQJQSPCTDEHKU-QGZVFWFLSA-N 403.950 5.217 0 40 HKAB O=C(Nc1nnc(SCc2ccccc2)s1)/C(=C/c1ccco1)c1ccccc1 223765819 QJEXDCGLFIWFCZ-XMHGGMMESA-N 419.531 5.603 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccccc1Cl 224133705 QJPABCKPMBRETJ-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB CCc1ccc(NC(=O)c2ccc(OC)c(COc3ccc4ccccc4c3)c2)cc1 224311846 LVJSYJAUUDWDEX-UHFFFAOYSA-N 411.501 6.242 0 40 HKAB COc1ccc(CNC(=O)c2ccc(OC)c(CSc3ccc(C)cc3)c2)cc1 224334191 SBTHNFBDEBVEQR-UHFFFAOYSA-N 407.535 5.235 0 40 HKAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C 224364394 LRALFZMDOAFQJQ-RPWUZVMVSA-N 418.610 5.820 0 40 HKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 224415712 NNGIXXMBBWYKEL-VXKWHMMOSA-N 406.530 5.314 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1Cl 225530660 YAAZZAUFTCRJSX-UHFFFAOYSA-N 412.744 6.496 0 40 HKAB O=C(Nc1ccc(OCCCN2CCCC2)cc1)C1(c2ccccc2F)CCCCC1 225545436 SBLPLMKCRUFFRS-UHFFFAOYSA-N 424.560 5.531 0 40 HKAB COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)c(Cl)c1Cl 408603031 DZLXMMAXVSCWKA-UHFFFAOYSA-N 424.305 5.595 0 40 HKAB CCOc1cc(CNc2cccc(C(=O)O)c2)ccc1OCc1ccc(Cl)cc1 408610963 PFPMTWVKSZIHME-UHFFFAOYSA-N 411.885 5.628 0 40 HKAB O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1ccc(Cl)cc1Cl 409390491 DIDHZBDHBSIFSW-UHFFFAOYSA-N 402.306 5.754 0 40 HKAB CCCN1CCCCCCN(C(=O)CC)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582387 XEKOHDWEIAIYHP-GGAORHGYSA-N 414.590 5.041 0 40 HKAB COc1ccc(-c2cccc(C(=O)Nc3nc4ccc(OC)cc4s3)c2C)cc1 643586940 MIIMFBVVEMOBRE-UHFFFAOYSA-N 404.491 5.541 0 40 HKAB Cc1cccc(C(=O)N2CCCCCCCCN(C(=O)C3CC3)c3ccccc3C2)c1 2037885066 VXFPDWPSIGSNCM-UHFFFAOYSA-N 418.581 5.735 0 40 HKAB CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3c(C)cccc3C)sc2c1 624766 QKVMFPIIBMDFIN-UHFFFAOYSA-N 413.568 5.383 0 40 HKAB COc1ccc(NC(=O)c2sc3nc(-c4ccc(Cl)cc4)ccc3c2N)cc1 1471894 NPEHYYBSOVZKFH-UHFFFAOYSA-N 409.898 5.460 0 40 HKAB CCCCCSc1nc2c(c(=O)n1-c1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 2358070 BGIKUPGOLZDKNN-SANMLTNESA-N 418.606 6.406 0 40 HKAB COc1ccc(/C=C/C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1OC 2655512 KQMFAKRNIJGSBX-OQLLNIDSSA-N 408.494 5.191 0 40 HKAB FC(F)(F)c1cc(-c2ccccc2)nc(SCc2cc3c(cc2Cl)OCO3)n1 2710308 OLOYZIVOMXDSHC-UHFFFAOYSA-N 424.831 5.837 0 40 HKAB COc1ccc2[nH]c(C)c(CCN(Cc3cccs3)C(=S)NC(C)(C)C)c2c1 2722586 WWAHEXPQCWZTDQ-UHFFFAOYSA-N 415.628 5.264 0 40 HKAB COc1ccc(NCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 2887617 MIUPJONRCADPHE-UHFFFAOYSA-N 422.337 5.100 0 40 HKAB Cc1ccc([C@@H](NC(=O)NCc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1F 3191025 WVXAUTGLVXQFSM-OAHLLOKOSA-N 424.130 5.698 0 40 HKAB O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1Br 3272687 HNPNXDGOSUWPHE-UHFFFAOYSA-N 422.363 5.100 0 40 HKAB CCc1ccc(C(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1 3337250 YQOQMKRGNQWWRP-UHFFFAOYSA-N 424.978 6.549 0 40 HKAB Cc1cc(C)c2sc(N(Cc3cccnc3)C(=O)CCOc3ccccc3)nc2c1 4273297 UWQAHWGAAAMCHZ-UHFFFAOYSA-N 417.534 5.310 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(C(=O)OC)cc2)N3)C1 4553674 FFUOGLCWHCGOJY-DNVCBOLYSA-N 412.555 5.505 0 40 HKAB CCC(=O)c1c(-c2ccccc2)nc2n(CCN3CCCCC3)c3ccccc3n12 4600333 FTYCCDGEOMPAGH-UHFFFAOYSA-N 400.526 5.035 0 40 HKAB O=C(CSc1ccc2c(c1)OCCO2)N1c2ccccc2Sc2ccccc21 5019189 OGZRPNJVLQCFMD-UHFFFAOYSA-N 407.516 5.379 0 40 HKAB CCCCCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1Cc1ccccc1 5020256 LNXSZUPIDAEPBM-UHFFFAOYSA-N 414.553 6.215 0 40 HKAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccccc3[C@H](C)CC)n2)cc1 5180132 UDBLGTPYXOHZEV-CVEARBPZSA-N 408.571 5.667 0 40 HKAB CCCCCC(=O)Nc1ccc(-c2ccc(NC(=O)CCCCC)c(C)c2)cc1C 6040093 SCBAQHZRDLVQDZ-UHFFFAOYSA-N 408.586 7.008 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 6128904 IXVXRTVPRGRUAK-MRXNPFEDSA-N 406.555 5.389 0 40 HKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)c(C)c1 6161542 JMKGLFPIQJJAQW-UHFFFAOYSA-N 420.365 5.708 0 40 HKAB Cc1cc(C)cc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 6386731 ZTUYIUCMTCMLPZ-QFIPXVFZSA-N 406.913 5.457 0 40 HKAB Cc1ccc2oc(-c3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3)nc2c1 6860169 ZTFFMUVDNUBLMO-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2cn(C(C)C)c3ccccc23)S1 6960657 BGBKOOOCEKHDCZ-RGVLZGJSSA-N 409.942 6.076 0 40 HKAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1C 7043852 KRHAXOGREKIXRS-UHFFFAOYSA-N 402.523 5.157 0 40 HKAB CN(Cc1cccc(F)c1)Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1 7487562 VNGIARHXPWDKKV-UHFFFAOYSA-N 413.905 5.076 0 40 HKAB Cc1ccccc1Cn1c([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 7544391 PAAMVJQKTRJUMU-LJQANCHMSA-N 415.924 5.567 0 40 HKAB CC[C@@H](C)NCc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 8325889 BZIMGZFOIAIMLP-CYBMUJFWSA-N 412.755 5.578 0 40 HKAB Cc1ccc(CNCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3nc2O)cc1 8763121 CRYYCJQWEBWGSV-UHFFFAOYSA-N 400.526 5.022 0 40 HKAB O=C(CCNc1ccc(F)cc1)c1ccc(C(=O)CCNc2ccc(F)cc2)cc1 8782955 FAUCJXKQOUHCPI-UHFFFAOYSA-N 408.448 5.335 0 40 HKAB COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1Cl)oc1ccccc12 9633401 JKDTUVCGTZEBOQ-CYBMUJFWSA-N 423.852 5.432 0 40 HKAB Cc1c(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)oc2ccc(F)cc12 11914737 GLRZDJHBGZCOOT-UHFFFAOYSA-N 402.450 6.409 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nc3cc(C)ccc3[nH]2)c2ccccc2)c1 12614791 QYQJKJITSGCLAJ-QFIPXVFZSA-N 401.535 5.960 0 40 HKAB aggregator CC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)cc1 12919640 TUOJNDMUFHXSCG-UHFFFAOYSA-N 410.477 5.058 0 40 HKAB Cc1ccc2c(-c3oc4ccccc4c3NC(=O)c3cccs3)cc(=O)oc2c1C 13626305 BKRJCODTTMMSPJ-UHFFFAOYSA-N 415.470 6.137 0 40 HKAB biogenic Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc45)=NN23)cc1 13777959 SVWJSFGZNPWFDW-RSXGOPAZSA-N 410.904 6.736 0 40 HKAB CC1(C)CC(N(Cc2ccncc2)Cc2cnn(C3CCCCC3)c2)CC(C)(C)N1 13992727 QGUHEUWMUIOJQK-UHFFFAOYSA-N 409.622 5.095 0 40 HKAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(CSc2ccccc2)cc1 14400966 JNRYERHBPPIHES-UHFFFAOYSA-N 411.954 6.430 0 40 HKAB C[C@@H]1CCc2c(sc3c2[C@@H](c2ccc(OCc4ccc(F)cc4)cc2)CC(=O)N3)C1 15085280 XAYQSZHVKYOPMO-QVKFZJNVSA-N 421.537 6.065 0 40 HKAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccc(Cl)cc4)ccc3c2C)cc1 15729380 MGRLSJOUHARLFL-UHFFFAOYSA-N 419.864 5.887 0 40 HKAB biogenic Cc1ccc(CNc2nc(Nc3ccc(C)cc3)c3cnn(-c4ccccc4)c3n2)cc1 17041639 XOVQFTFZRFHUPN-UHFFFAOYSA-N 420.520 5.788 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)NC1CCCC1 17088196 WOTSJJYCQXHNTM-JXMROGBWSA-N 409.338 5.200 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c1 17090174 COLJGIXWESLZAW-UHFFFAOYSA-N 414.977 6.026 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1 17091256 WCNGCDAHKYJZGW-KPKJPENVSA-N 417.896 6.319 0 40 HKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3cc4ccccc4o3)c2)cc1 19690686 COMDKDUNSIEVNV-QHCPKHFHSA-N 412.489 5.789 0 40 HKAB Cc1n[nH]c(SCc2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)n1 20293598 CHGMPOIDAVDIDZ-UHFFFAOYSA-N 414.943 5.526 0 40 HKAB Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccccc3F)no2)cc1C 21524263 HZTIRILVDPLCFD-UHFFFAOYSA-N 404.441 5.533 0 40 HKAB FC(F)(F)c1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2n1 22248332 ZSTVFWMPFJAOFJ-UHFFFAOYSA-N 422.819 5.644 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1OCC 22523216 QTJONOACMCLQLQ-FQEVSTJZSA-N 424.585 5.207 0 40 HKAB O=C(COCc1nc2ccccc2s1)N(Cc1cccs1)Cc1cccs1 24466099 YQNVVGBBWYQVHS-UHFFFAOYSA-N 414.577 5.165 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2oc3ccc(F)cc3c2C)N2CCCCCC2)cc1 27581916 GSWJYYXOSOTTKA-QFIPXVFZSA-N 408.517 5.536 0 40 HKAB Cc1nc2ccccc2c(C)c1CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 32988515 VUTZBMQXFZGCCV-XMMPIXPASA-N 421.972 5.001 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCc2cccc(F)c2)cc1 33381839 HAPQFMIIKPVOGL-NRFANRHFSA-N 424.497 5.173 0 40 HKAB O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 38833098 RMEZXEZHPWSWCB-RUZDIDTESA-N 416.540 5.267 0 40 HKAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 44847230 DAJNSSZPPCUQOR-OAQYLSRUSA-N 411.885 5.937 0 40 HKAB CSc1cccc(Nc2c(C(=O)N3CCC[C@@H](C)C3)cnc3nc(C)ccc23)c1 49005408 VOPFLAXJFAUORD-OAHLLOKOSA-N 406.555 5.276 0 40 HKAB COc1cccc(Cn2c(SCc3cc(F)cc(F)c3)nc3ccccc3c2=O)c1 67258780 CHAWSHJXRJNVEM-UHFFFAOYSA-N 424.472 5.024 0 40 HKAB O=C(c1cc2ccccc2oc1=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 72313403 BAITXEHXPVYVCH-SFHVURJKSA-N 401.384 5.179 0 40 HKAB Cc1ccc2c(c1)N[C@@H](c1cccc(Br)c1)C1=C(O)CC(C)(C)CC1=N2 102865768 QJHJGBFKJXMCOJ-NRFANRHFSA-N 411.343 6.629 0 40 HKAB OC1=C2C(=Nc3nc4ccccc4n3[C@H]2c2cccs2)C[C@@H](c2ccc(F)cc2)C1 102889779 YHSUZALENUYFEY-CMJOXMDJSA-N 415.493 6.302 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1Cl)N1[C@@H](c2ccccc2)[C@H]1c1ccccc1 107917525 OOTJAICCVADQRI-DETIRCLXSA-N 404.318 5.480 0 40 HKAB CCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC(=O)CC)CC[C@H]4[C@@H]3CC[C@@H]2C1 118935532 FWAYUWSHYLKUEY-NYSDUXQVSA-N 404.591 5.673 0 40 HKAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 214770084 QTFPBALMCSKXSC-GIJQJNRQSA-N 417.317 6.020 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)c1ccccc1 219346675 CROZIODDSVUNFP-VWLOTQADSA-N 409.485 5.867 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 219390559 CLSGNDANHHWNFC-MRXNPFEDSA-N 422.337 5.231 0 40 HKAB Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 222633556 INXFKVGVRHICLX-DLPLYFIVSA-N 409.942 5.893 0 40 HKAB C[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc2c(c1)OCCO2 222721643 MHAIPFPSQLXMPD-MRXNPFEDSA-N 423.896 5.181 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)NC(C)(C)C)cc1 223216253 IWNWTBORSJVIJG-DEOSSOPVSA-N 422.613 5.212 0 40 HKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2)c1ccc(OC)c(OC)c1 223303179 KIQSPYJZBVSUJB-FCHUYYIVSA-N 411.542 5.008 0 40 HKAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccc(Cl)cc1 224164262 TYXBQNUGPYUMFQ-GOSISDBHSA-N 423.940 5.679 0 40 HKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 224356626 RASJOMUPTFPQGN-VQTJNVASSA-N 413.999 6.097 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1c1ccc(Cl)cc1 224453752 LNCLMVBRMVAPGT-SJORKVTESA-N 406.363 5.627 0 40 HKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(OC)c(Cl)c2)c1 224541917 RGPNQUOZLWQRCH-UHFFFAOYSA-N 418.276 6.055 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1CSc1ccccc1 224649600 MHCSBBILOBQNKF-UHFFFAOYSA-N 411.954 5.961 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224671579 UHWLVJHUXCDCAW-NRFANRHFSA-N 420.597 5.048 0 40 HKAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)s1 225334931 TWDZDUZDNAEBQT-SFTDATJTSA-N 409.580 5.416 0 40 HKAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c1 225504735 YXPFSVWLVDBJIR-QFIPXVFZSA-N 404.535 5.166 0 40 HKAB CC(C)Oc1cccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 408562841 FQJVPUKPUFTEJS-UHFFFAOYSA-N 411.954 6.672 0 40 HKAB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc(C)c3)c2C)cc1 408668382 KVDZYUSDMRWBOO-UHFFFAOYSA-N 424.500 5.623 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(F)cc2)c1 408696482 AEPTUCVVXJDWEW-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(F)cc2)cc1Cl 408699105 USOINMBIOVHRSU-UHFFFAOYSA-N 424.838 5.427 0 40 HKAB Cc1ccc(-c2sc(NC(=O)c3ccccc3Cl)nc2-c2ccccc2)cc1C 408830020 NMRQUUMBPVZBGU-UHFFFAOYSA-N 418.949 7.000 0 40 HKAB Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)cc1C 865318 CVNBCEPIXGGLGB-PKOBYXMFSA-N 414.431 5.413 0 40 HKAB CCOC(=O)[C@@H](CC)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3C)coc2c1 957230 GEOILEKBIKEMGR-LJQANCHMSA-N 410.466 5.231 0 40 HKAB Cc1ccc(-c2csc(NC(=O)COc3ccc(Br)cc3)n2)cc1C 959147 PDUDCHLYCCYVSU-UHFFFAOYSA-N 417.328 5.207 0 40 HKAB Cc1cc(C)cc(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 1299042 HUYLBGXSUWEMJM-UHFFFAOYSA-N 404.897 5.413 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)c1 1413951 UVECGUAAPUNFMC-UHFFFAOYSA-N 414.505 6.253 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1nnsc1NC(=O)Nc1ccc(Cl)cc1 1416962 DEZQVFBDFAJWIL-UHFFFAOYSA-N 422.297 5.050 0 40 HKAB COc1cc([C@H](CC(=O)c2cccs2)Sc2ccccc2)cc(OC)c1OC 1463228 AKALSHQUQSZUQX-NRFANRHFSA-N 414.548 5.880 0 40 HKAB O=C(Nc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(C(=O)c2ccccc2)cc1 1724860 WYWVDAOTGALEFP-UHFFFAOYSA-N 420.468 5.793 0 40 HKAB CC(C)Cn1c(SCc2ccc(Br)cc2)nnc1-c1ccccc1 2128651 JOQVXZPPHNVJBL-UHFFFAOYSA-N 402.361 5.656 0 40 HKAB Cc1ccc2c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N2C(=O)c1cccc(Cl)c1 2270264 AUNFMYLYZRLDPZ-AREMUKBSSA-N 403.953 6.784 0 40 HKAB Cc1cc2nc(SCC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[nH]c2cc1C 2270685 DWEMSPWJAONAEW-UHFFFAOYSA-N 424.610 6.455 0 40 HKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@](C)(CC)OC3 2371912 DTRZNJUIBDMTOK-QFIPXVFZSA-N 414.596 5.581 0 40 HKAB CCCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 2384506 ZZDOLTVKUYFBLR-UHFFFAOYSA-N 401.919 5.542 0 40 HKAB COc1cccc(CNc2nc3c(-c4ccc(Cl)cc4)nnn3c3ccccc23)c1 2690231 CVMMOIFREKPIBU-UHFFFAOYSA-N 415.884 5.219 0 40 HKAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)c(Cl)c2)c1C 2723082 HCPHRRFFMHKZOB-UHFFFAOYSA-N 406.338 5.527 0 40 HKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(Nc4ccc(C(C)C)cc4)ncnc32)c1 2974938 LXHDIFFDUJIXEB-UHFFFAOYSA-N 418.544 7.263 0 40 HKAB CCOc1ccc(N[C@H](NC(=O)/C=C/c2ccccc2)C(Cl)(Cl)Cl)cc1 3034896 DAFQQIXZLZHWNT-INMULRNOSA-N 413.732 5.023 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)C(C)(C)Oc1ccc(Cl)cc1 3218205 WCZKJLNUFXJQBQ-UHFFFAOYSA-N 403.906 5.111 0 40 HKAB C[C@@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)Nc1cccc(C(F)(F)F)c1 3250717 NTRAEFFIMDDIGW-CQSZACIVSA-N 423.406 5.227 0 40 HKAB Cc1cc(C(=O)COC(=O)c2c(Cl)cccc2Cl)c(C)n1Cc1cccs1 3309239 WWBVHWMXBLPLKX-UHFFFAOYSA-N 422.333 5.561 0 40 HKAB CC(C)(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc(C(C)(C)C)cc3)C2=O)cc1 4105396 XGFPTMGDLIPBES-QNGOZBTKSA-N 407.579 6.518 0 40 HKAB COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(F)cc1 4267283 ACOYMEXDOVDIGQ-UHFFFAOYSA-N 418.424 5.014 0 40 HKAB C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)c1ccccc1Cl 4500457 MBVKTMPUUNHYLE-ZIAGYGMSSA-N 404.942 5.536 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(Cl)c2Cl)N3)C1 4554567 UPLWCKTUEVEBBQ-ZMZPIMSZSA-N 423.409 7.025 0 40 HKAB Cc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c(C(=O)c2ccccc2)c1 4746443 ABIPCDKOKGBCEF-UHFFFAOYSA-N 419.480 5.709 0 40 HKAB Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2nc3cc4c(cc3cc12)CCC4 4929910 KSTVSVSGBRBOQT-UHFFFAOYSA-N 411.889 5.565 0 40 HKAB Cc1oc(-c2ccccc2Cl)cc1-c1nn2c(Cc3ccccc3)nnc2s1 5235370 NRLHRQOVUPWCIG-UHFFFAOYSA-N 406.898 5.665 0 40 HKAB Cc1ccc(C)c(Cn2c([C@H](C)NC(=O)c3ccc(F)cc3)nc3ccccc32)c1 5545911 VKFUPIVVXXEBQN-SFHVURJKSA-N 401.485 5.332 0 40 HKAB Cc1cccc(/C=C2\CN(Cc3ccccc3)Cc3c2nc2ccccc2c3C(=O)O)c1 5788304 SPKBMGPFJVCHAJ-PXLXIMEGSA-N 420.512 5.798 0 40 HKAB Cc1cccc(NC(=O)c2cc3cc(Cc4ccccc4Cl)ccc3oc2=O)c1C 6207522 SXONNZNLSVCDRK-UHFFFAOYSA-N 417.892 5.906 0 40 HKAB COc1ccc(CC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC 6216633 YBOCRSPCTRYXIG-UHFFFAOYSA-N 418.518 5.470 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1sc2ccccc2c1Cl 6243078 LDQFRFWWNWQQDU-GFCCVEGCSA-N 402.972 6.195 0 40 HKAB Cc1ccc(OC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1C 6480411 HABLOIKNRYTEPW-UHFFFAOYSA-N 411.295 5.864 0 40 HKAB O=C(CCNC(=O)Oc1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6603129 JJUPSAXPJWQALS-UHFFFAOYSA-N 418.537 5.272 0 40 HKAB Cc1sc2nc([C@H](C)Oc3ccc(Cl)cc3Br)[nH]c(=O)c2c1C 8136272 BRMVQKFNLJQNBW-QMMMGPOBSA-N 413.724 5.157 0 40 HKAB O=C(c1csc(-c2cccs2)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8367455 YUNMDBFYNDIXGM-CYBMUJFWSA-N 411.577 5.501 0 40 HKAB Cc1ccc2nc(N(Cc3cccnc3)C(=O)Cc3cccc4ccccc34)sc2c1 9241514 BEJJMQRXQVKHFO-UHFFFAOYSA-N 423.541 5.929 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(=O)n(Cc2ccccc2Cl)c1 9377919 BKTLRRKLCOOOLF-UHFFFAOYSA-N 407.684 5.109 0 40 HKAB O=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc2ccccc2c1 9403959 AZGHXIGOYNYMKY-UHFFFAOYSA-N 417.515 5.312 0 40 HKAB Cc1c(C(=O)c2ccc(Cl)cc2)oc2ccc(NC(=O)c3ccc(Cl)cc3)cc12 9659882 JGOANCKLLVMBIL-UHFFFAOYSA-N 424.283 6.531 0 40 HKAB biogenic Fc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)c(Cl)c1 9683294 IRZAYZRFAHLCCQ-LJQANCHMSA-N 414.267 6.384 0 40 HKAB COc1ccc([C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccc2)c(OC)c1 11549047 AHQLHNUJPYDPRB-VWLOTQADSA-N 415.533 5.590 0 40 HKAB CCOc1ccccc1NC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC)cc12 11866447 MIMAVFDCBSUFRC-UHFFFAOYSA-N 417.461 5.768 0 40 HKAB biogenic Cc1cccc(-c2nnc(SCC(=O)c3c[nH]c4ccccc34)n2-c2ccccc2)c1 12637946 NRMWVRUSMNFVHD-UHFFFAOYSA-N 424.529 5.699 0 40 HKAB CCc1ccc(-c2nc(CC(=O)N[C@@H](c3ccc(OC)cc3)C3CC3)cs2)cc1 12898781 UDDXSORMHSOVTO-HSZRJFAPSA-N 406.551 5.191 0 40 HKAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl 13582388 HFVQDPBSKISUHV-CYBMUJFWSA-N 414.292 5.475 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccccc2)cc1 14609685 LDPWIEJVVLLNBA-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1cccc(C)c1 16959505 LPSZUDLPBVEVIY-UHFFFAOYSA-N 402.523 5.157 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)C(Cl)(Cl)Cl 17083301 ZSXPVLMXCHOKCM-UHFFFAOYSA-N 406.121 5.925 0 40 HKAB O=C(O[C@@H](c1ccccc1)[C@H](OC(=O)c1ccccc1)c1ccccc1)c1ccccc1 17310798 WCKDRBAZAZDBKR-WMPKNSHKSA-N 422.480 6.183 0 40 HKAB CCOc1cc(OCC)cc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1 20143375 IJFRKGMYASBUOW-UHFFFAOYSA-N 415.873 5.142 0 40 HKAB CCc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc3n2)cc1 20610155 IZFYMSFUGJVLLY-VGOFMYFVSA-N 402.885 5.288 0 40 HKAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1ccccc1)c1ccccc1 22242915 QLFHVKZMWZMTFO-UHFFFAOYSA-N 411.505 5.278 0 40 HKAB COc1ccc(N2C[C@@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2CCCCC3)cc1 22408631 KUMHIOXCBVEJJT-HHHXNRCGSA-N 413.541 5.013 0 40 HKAB COc1ccc2c(Cl)c(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)sc2c1 27024563 WWQSDLSMINUZHL-UHFFFAOYSA-N 420.239 6.488 0 40 HKAB O=C(Nc1ccc(C(=O)Nc2cccc(OC3CCCC3)c2)cc1)c1ccccc1 29022054 PZFWFCQUCXNQQU-UHFFFAOYSA-N 400.478 5.513 0 40 HKAB COc1ccc(-c2nnc(CN(CCc3ccccc3)Cc3ccc(C)s3)o2)cc1 29594596 LJIPGGADTYZHOR-UHFFFAOYSA-N 419.550 5.360 0 40 HKAB COc1ccccc1-c1csc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)n1 31990993 POXVRMPQMHXZDE-UHFFFAOYSA-N 416.506 5.134 0 40 HKAB O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1ccc(Cl)c(Cl)c1 32096318 OFQHXZKHOIWJBB-UHFFFAOYSA-N 400.221 5.155 0 40 HKAB O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)C1(c2ccccc2)CCCC1 38548694 OALWJPCWSKIPRQ-UHFFFAOYSA-N 424.588 5.432 0 40 HKAB O=C(NCCSCc1ccco1)c1ccc(OCCSc2ccccc2)cc1 38771805 YILHDBDZHQMTFJ-UHFFFAOYSA-N 413.564 5.114 0 40 HKAB Clc1ccc(-c2cn3cc(-c4ccc(Cl)c(Cl)c4)n4c3c2CCCC4)cc1 40163762 GLBCFOXHOFFEQK-UHFFFAOYSA-N 415.751 7.371 0 40 HKAB Cc1ccc(C)c(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)c1 46022458 LIDGXXKSFNSDHI-UHFFFAOYSA-N 411.596 5.598 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(CC(=O)Nc2ccccc2-c2ccccc2)CC1 57449691 FEYWJOKOSAZBAE-UHFFFAOYSA-N 419.956 5.076 0 40 HKAB O=C1c2ccccc2N[C@H](c2csc(-c3ccc(F)cc3)n2)N1CC(F)(F)F 58377358 NWJWMVXPFNFFLA-INIZCTEOSA-N 407.392 5.078 0 40 HKAB Cc1nc(C)c2c(C)c(C(=O)N3CCCc4cc(OC(F)(F)F)ccc43)sc2n1 59897201 ZXEWKPPCTQDQBS-UHFFFAOYSA-N 421.444 5.108 0 40 HKAB COc1cc(OC)cc(-n2c(SCc3ccccc3C)nc3ccccc3c2=O)c1 67258609 VZNDTZRAXMQZLT-UHFFFAOYSA-N 418.518 5.004 0 40 HKAB Cc1ccc2nc(C)c(C(=O)Nc3ccc(Sc4ncccn4)cc3C)cc2c1 71853508 LHCNKJNEPCJNTQ-UHFFFAOYSA-N 400.507 5.354 0 40 HKAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(C)cc3)n2)cc1 72357891 VLAHSAOJFUQRTH-AREMUKBSSA-N 414.549 5.286 0 40 HKAB CN(C)c1ncc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 91695518 ULHHIIDXRJHKJK-UHFFFAOYSA-N 419.834 5.739 0 40 HKAB Cc1cccc(/C=C/C2=Nc3ccccc3C(=O)[C@H]2c2c(Cl)cccc2Cl)c1 104754494 CPHYSAYREVSULG-MDRMPYQZSA-N 406.312 7.068 0 40 HKAB O=C(Nc1ccc(F)c(F)c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 113958524 IZOXRYSCTUCAKR-UHFFFAOYSA-N 420.503 5.672 0 40 HKAB CC(=O)O[C@H]1/C(=C/c2ccccc2)C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118927685 MYXPLINCZQMSCW-FFXZUYDCSA-N 406.610 7.044 0 40 HKAB CCOc1ccc(CNC(=O)c2ccccc2CCc2ccccc2)cc1OCC 219001619 BSQCWSILHSBGMG-UHFFFAOYSA-N 403.522 5.199 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Oc2ccccc2)cc1 223162431 IYIHOTNGMZNBAT-RUZDIDTESA-N 401.506 6.154 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1Cc1ccco1 223360954 YMCXUQBZVDYQRO-VXKWHMMOSA-N 401.491 5.107 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)(C)CC(C)(C)C)c2C)cc1 224080244 OKFQBPNQRKIWPE-UHFFFAOYSA-N 416.587 5.049 0 40 HKAB CC(C)(Cc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 225561310 AIPINXPFXLKDBX-UHFFFAOYSA-N 419.396 5.343 0 40 HKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)ccc1OC(C)C 225582853 CYTMAPFQKROQJZ-UHFFFAOYSA-N 422.352 5.776 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)CC(C)(C)O2 225681718 IIPHHCAMZBSACC-MRXNPFEDSA-N 410.461 5.303 0 40 HKAB Nc1nc2c(Br)cc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2s1 226309598 WCGXBQWRMOBLDV-UHFFFAOYSA-N 424.323 5.560 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N1[C@H](C)CCC[C@H]1C 226330889 GDRRNWKLLKBXLF-ZIAGYGMSSA-N 406.357 5.904 0 40 HKAB C[C@H](CCN1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 248243686 PLPUHLFQJZSMBX-BKULYWANSA-N 407.602 5.191 0 40 HKAB COc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Br)c1O 392324497 XUVKISRXOSBPHJ-UHFFFAOYSA-N 400.272 5.568 0 40 HKAB O=C(O)c1cccc(NCc2ccc(OCc3ccc(Br)cc3)cc2)c1 408606225 HSCMOYWBSISPDI-UHFFFAOYSA-N 412.283 5.338 0 40 HKAB O=C(O)c1cccc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)c1 408613826 WCVCZJMDMOEVJT-UHFFFAOYSA-N 402.277 5.883 0 40 HKAB CSc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 408621086 OAOUIJNYTSKVDP-UHFFFAOYSA-N 413.608 5.677 0 40 HKAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccccc2Cl)C(=O)O)o1 408635058 YJAQTDRWLDNGQS-NVNXTCNLSA-N 423.277 5.270 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2cccc(Cl)c2)c1 408693857 GDBYYOQIUIMAHA-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB COc1ccccc1NC(=O)c1nc(-c2ccc(C)cc2)n(-c2cccc(C)c2C)n1 408697208 GBUHRRLZJUWMFA-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB Cc1cccc(C)c1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 408697520 KAHNZMQOSUMZTG-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB COc1ccc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)c2ccccc12 408816653 RYRPRHHOWLHXPI-UHFFFAOYSA-N 409.918 5.573 0 40 HKAB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1ccccc1Cl 409053284 NYTRRRQHHMKATK-UHFFFAOYSA-N 408.885 6.522 0 40 HKAB Cc1cccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)c1 409096774 LALDNPKMEZCCGI-UHFFFAOYSA-N 405.954 6.112 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Cl)c1OC 409126275 BKRQBNLNJZEAJD-GZTJUZNOSA-N 409.935 5.364 0 40 HKAB Cc1cccc(OCc2ccc(C(=O)Oc3ccc(-c4cccc(C)c4)cc3C)cc2)c1 409173394 LZJBCYJSUDLJSO-UHFFFAOYSA-N 422.524 7.077 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC 409189499 PUBHFQBDRYEDMX-MHWRWJLKSA-N 424.305 5.642 0 40 HKAB CC(=O)N1CC2=C(C1=O)[C@@H](C1CCCCC1)c1cn(CC(C)C)c3cccc(c13)N2 524731710 IELVRHXIUQAUKH-QFIPXVFZSA-N 405.542 5.030 0 40 HKAB biogenic Cc1cccc(NC(=S)N(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCC2)c1 884934 ZGWYPCBGSPDBEJ-UHFFFAOYSA-N 405.567 5.287 0 40 HKAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Nc1cccc(C(C)=O)c1 955746 OCCUICZQJFNVEX-UHFFFAOYSA-N 402.372 5.377 0 40 HKAB O=C1S/C(=C\c2cc(Cl)cc(Cl)c2O)C(=O)N1c1ccc(Cl)cc1 1011718 MYTMWQCAMDTTEW-MLPAPPSSSA-N 400.670 5.593 0 40 HKAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(F)cc2F)cc1 1093967 HHCFKZYOFFNXDF-XMMPIXPASA-N 418.443 5.243 0 40 HKAB COc1ccc(Cl)cc1NC(=O)CSc1nc(C(C)(C)C)nc2ccccc12 1342526 FBFIRFATZCWZAO-UHFFFAOYSA-N 415.946 5.320 0 40 HKAB Clc1cccc(-n2cc(-c3ccccc3)c3c(NCc4ccco4)ncnc32)c1 1447617 WXKONZQFLGIMTK-UHFFFAOYSA-N 400.869 5.946 0 40 HKAB Cc1c(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)oc2ccccc12 2050870 QOJCLSQBVPAENE-UHFFFAOYSA-N 418.905 6.924 0 40 HKAB CCCCCOc1cccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)c1 2131081 FVYTTZZSSMMPNF-AXSXGGAZSA-N 418.581 5.591 0 40 HKAB biogenic CN(C)c1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 2714818 KHVXGTSZHPZWED-UHFFFAOYSA-N 405.505 5.897 0 40 HKAB CCOc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)c3ccccc3n2)cc1 3044962 HTIFXFHXOYWRHT-UHFFFAOYSA-N 400.522 5.921 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cn(-c2ccccc2)nc1-c1cccs1 3217364 ACXLIXCKSHYOAG-UHFFFAOYSA-N 413.424 5.872 0 40 HKAB CCCc1nnc(SCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)s1 3503906 IBQFREVFDPHWAE-UHFFFAOYSA-N 410.568 5.349 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CN1Cc1ccccc1 4033500 KCQCSCJQXQOMAL-FQEVSTJZSA-N 415.924 5.254 0 40 HKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccc(Br)c1 4194717 USERYZIBCOXQII-UHFFFAOYSA-N 409.308 5.978 0 40 HKAB CCCC[C@@H](CC)CNC(=O)C[C@H](C)CC(=O)N(c1ccccc1)c1ccccc1 4681420 OBRIRISTWSJIRV-FCHUYYIVSA-N 408.586 6.100 0 40 HKAB CCOc1cc(CNCc2ccccn2)cc(Cl)c1OCc1ccc(Cl)cc1 4998077 CEQYKEQSSGRQPZ-UHFFFAOYSA-N 417.336 5.656 0 40 HKAB Cc1ccccc1CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 5025834 CZHQKKCGPRMBIR-UHFFFAOYSA-N 419.619 6.842 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)cc2)c1 5235451 OTTUUZMYIOWXNH-LADGPHEKSA-N 406.888 6.338 0 40 HKAB O=C(c1ccc(F)cc1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 5444565 NKELGKZCMVRODQ-KOPYOMKSSA-N 410.492 6.263 0 40 HKAB CCOc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccc4ccccc34)=NN21 5546032 VGVSVSLLPGUTSD-LSYYVWMOSA-N 420.512 6.481 0 40 HKAB Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)c(C)c3)nc2c1 5547808 PKACAMLALAGJEU-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB CCCCCCc1c(C)c2cc(Cl)c(OCc3ccc(F)cc3)cc2oc1=O 5548292 PKLJPHWDUJXXLG-UHFFFAOYSA-N 402.893 6.596 0 40 HKAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1nnc(-c2cccs2)o1 5565474 YRLHORDCJRAIQK-NSHDSACASA-N 415.569 5.230 0 40 HKAB O=C(COc1ccc(Br)cc1)Nc1ccc(OCc2ccccc2)cc1 5603383 FVONGWFJYCIBMD-UHFFFAOYSA-N 412.283 5.046 0 40 HKAB CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@H](C(C)(C)C)C2 5832720 CBFWAWKCZDESQA-ZDUSSCGKSA-N 404.963 5.763 0 40 HKAB Cc1c(C)c2c(c(C)c1O)CC[C@@H](CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 5921400 WCLCXQXLAQYYQC-DNRQZRRGSA-N 416.690 8.450 0 40 HKAB biogenic CSCC[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2[nH]1 6024982 SMHSTYSIDZMTKX-QFIPXVFZSA-N 415.562 5.305 0 40 HKAB COc1ccc(C2=NN(c3nc(-c4ccc(F)cc4)cs3)[C@H](c3ccco3)C2)cc1 6924915 YCLZDVZOQLJDEJ-NRFANRHFSA-N 419.481 5.907 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1 7080050 VGNOLUJTRFGZKA-SFHVURJKSA-N 402.494 5.470 0 40 HKAB CCOc1cccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1 7539379 QEYPVVCXWSTWJV-JQBPUPGTSA-N 419.609 6.359 0 40 HKAB Cc1ccc(C)c(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccc(C)o2)c1 7779038 GCJNJJWRNLEVMV-UHFFFAOYSA-N 418.522 5.248 0 40 HKAB CC1CCN(c2ccc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)cc2)CC1 8429227 DOBXJZRHWSBBTN-UHFFFAOYSA-N 419.550 5.489 0 40 HKAB COc1ccc2[nH]c(=O)c(-c3nc4ccccn4c3Nc3ccc(C)c(C)c3)cc2c1 9308355 KZWNUTHISGAFAD-UHFFFAOYSA-N 410.477 5.212 0 40 HKAB CC(=O)c1sc(-c2ccc(OCC(=O)Nc3cccc4ccccc34)cc2)nc1C 9336582 QJASTTBCIBTQEM-UHFFFAOYSA-N 416.502 5.492 0 40 HKAB Cc1cc(C)cc(Nc2nc(NCc3ccco3)nc3c2cnn3-c2ccccc2)c1 9573552 LCDYQQRRGBJVKP-UHFFFAOYSA-N 410.481 5.381 0 40 HKAB O=C([C@H]1COc2ccccc2O1)N(c1cccc(Cl)c1)c1nc2ccccc2s1 9949748 GQKRZCFXAAQNTF-LJQANCHMSA-N 422.893 5.454 0 40 HKAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCC[C@H]2c2cccs2)cs1 10025241 PGBJFYFWGJCOAU-CVTTXWKISA-N 423.563 5.266 0 40 HKAB CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c(O)cc1OCc1ccc(OC)cc1 11867284 ATTBISVVNCDBSA-UHFFFAOYSA-N 421.522 5.364 0 40 HKAB CC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(-c3ccc(F)cc3)cc2)C1 12157704 TVZRFUQJUZZYSK-GGAORHGYSA-N 423.557 5.039 0 40 HKAB COc1ccc(CC(=O)N2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)cc1 12185556 DCNLXGSYYSAPFQ-QFIPXVFZSA-N 408.473 5.176 0 40 HKAB CCc1ccc([C@@H](NCC(=O)Nc2ccc(N3CCCC3)cc2)c2cccs2)cc1 12568176 SWWZJBLJSOEHTK-RUZDIDTESA-N 419.594 5.228 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(Cl)ccc1-n1cncn1 12809814 BHJFCIJFWVNAGF-UHFFFAOYSA-N 402.885 5.081 0 40 HKAB Cc1ccc(NC(=O)c2ccc(OCc3cscn3)cc2)c(Br)c1 12894379 IGSYLFSWRJHIQD-UHFFFAOYSA-N 403.301 5.045 0 40 HKAB CCCc1noc([C@H](C)Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)n1 12998932 CCKUQYGWPTUKMK-ZDUSSCGKSA-N 417.966 5.902 0 40 HKAB COc1ccc(-c2noc(COc3cc(Cl)c(Cl)cc3Cl)n2)c(OC)c1 13115407 GXEHKVLBYLLVNW-UHFFFAOYSA-N 415.660 5.293 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 13942357 MHFRLLDCECBMIV-NFQMXDRXSA-N 422.528 5.868 0 40 HKAB Cc1cccc(C)c1OCC(=O)N(C)[C@H](c1cccs1)c1c[nH]c2ccccc12 15835583 BQBHJTQEZAADSQ-QHCPKHFHSA-N 404.535 5.473 0 40 HKAB COc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1C 16362731 CLAQLLYPWGXVMY-JQBPUPGTSA-N 419.609 6.277 0 40 HKAB O[C@@H](CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccccc1 16477400 BFICVXWBYNGYGK-NRFANRHFSA-N 402.321 5.396 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5)cc4)ccc3o2)c1 17091442 VSZUZUMSYPIBHY-UHFFFAOYSA-N 418.496 7.031 0 40 HKAB Cc1ccc(C)c([C@@H](NC(=O)C[C@H](C)n2nc(C)c(Cl)c2C)c2ccncc2)c1 19132197 GEWSFMRZMMIORZ-HJPURHCSSA-N 410.949 5.022 0 40 HKAB CCC(CC)C(=O)NCc1ccc(-c2nc(C(C)C)ncc2-c2cc(C)no2)cc1 19500277 HVQLKDCVKRFIHD-UHFFFAOYSA-N 406.530 5.283 0 40 HKAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2ccc(Cc3ccccc3F)cn2)cc1 19687948 RMSOIHVGLFXIHG-RUZDIDTESA-N 418.512 5.116 0 40 HKAB Cc1nc2ccc(NCc3cc(=O)oc4cc(Br)ccc34)cc2s1 25425935 MFHJSXJHVFJSJD-UHFFFAOYSA-N 401.285 5.086 0 40 HKAB COC(=O)c1ccccc1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 26967036 HTUJKUZFZGHBGV-UHFFFAOYSA-N 414.697 5.900 0 40 HKAB O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 32902435 SPMKNCNMGNSKBF-LJQANCHMSA-N 414.461 5.184 0 40 HKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccccc3C(F)(F)F)o2)cc1C 33519666 MRRZCSWBWNIFJZ-UHFFFAOYSA-N 418.440 5.709 0 40 HKAB CCOc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3cccc(OC)c3)C[C@@H]21 36352226 WWKRMMMPGFJZKU-DHLKQENFSA-N 418.468 5.475 0 40 HKAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(-c2ccccc2)cc1 39723984 MDEDNDHJTPNSMJ-UHFFFAOYSA-N 403.532 5.750 0 40 HKAB CCc1nn2c(ncc3c(=O)n([C@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccccc1 40387870 HARLZKCNLRHXDY-WWMYMODYSA-N 400.526 5.271 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3[C@@H]2C(=O)c2c(O)cc(C)c(Cl)c2C)cc1 57339829 INCLPHDOKDATJC-JOCHJYFZSA-N 405.881 5.555 0 40 HKAB CC(C)(C)c1ccc(CN(Cc2ccco2)Cc2nnnn2C2CCCCC2)cc1 57614062 NAZQYSWIQDGHPW-UHFFFAOYSA-N 407.562 5.271 0 40 HKAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccccc2OCc2cscn2)cc1 58202332 PDMSNYGVVRBKFN-OAHLLOKOSA-N 402.541 5.036 0 40 HKAB C[C@H](C(=O)Nc1ccc(OC2CCCC2)cc1)n1c(-c2cccs2)n[nH]c1=S 62580245 AYPDBPAAJWQRBS-CYBMUJFWSA-N 414.556 5.190 0 40 HKAB Cc1cccc(Oc2ncccc2NC(=O)c2nc(-c3cccs3)oc2C)c1C 65476544 BYAILFKPHKAJGC-UHFFFAOYSA-N 405.479 5.768 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(NC3CCCCC3)cc2)cc1NC(=O)c1ccco1 69925909 OWBASYKXXYTJGM-UHFFFAOYSA-N 417.509 5.837 0 40 HKAB COc1cc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c(OC)cc1Cl 71760915 DYTQPXWDCLVXFY-UHFFFAOYSA-N 406.813 5.065 0 40 HKAB CC(C)(C)c1[nH]c2ncccc2c1CN1[C@H]2CC[C@@H]1CC(O)(c1ccccc1F)C2 72393635 NRSVGCNLNNHISB-BXQQJGBQSA-N 407.533 5.014 0 40 HKAB Cc1cccc2c(-c3ccncc3)c([C@H]3CCCN(C(=O)c4cscn4)C3)[nH]c12 72396761 DEUOKRMLHKIFMX-KRWDZBQOSA-N 402.523 5.015 0 40 HKAB Cc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5cccnc5)cn34)n2)c(C)c1 96155350 KWUWPSKDYPPRRC-UHFFFAOYSA-N 407.477 5.056 0 40 HKAB C[C@@]12CC3CC(C(=O)N4CCN(C56CC7CC(CC(C7)C5)C6)CC4)(C1)C[C@@](C)(C3)C2 102634167 YBLRRUWRTXAUNN-XFFUPJMESA-N 410.646 5.096 0 40 HKAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1C[C@@H]1CC=C(C)C1(C)C 103971978 ALVSXBNVSPRINX-AVRDEDQJSA-N 406.570 6.509 0 40 HKAB COc1cc(CNc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 107040494 IEILEZMNQVDLTD-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ncc(-c2ccc(F)cc2)o1 206587691 WHXZKEGMQKZPJM-UHFFFAOYSA-N 404.426 5.109 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 223012253 VCZJJGCZARXJIQ-HSZRJFAPSA-N 409.913 6.024 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1C1CCCCC1 223112790 JOOMICRYLPGZKF-XZOQPEGZSA-N 403.551 5.647 0 40 HKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 223755893 QTWSDECGFALUTM-PKTZIBPZSA-N 420.582 5.267 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccccc1C(C)C 224228853 XEZTVKCBKGTHPW-UHFFFAOYSA-N 409.913 6.303 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(F)c3)o2)cc1 224917664 CDHNIHOTYLQIHK-UHFFFAOYSA-N 402.425 5.799 0 40 HKAB CCc1cccc(C)c1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 225547954 ATYOKRDZGGAMBP-QNGOZBTKSA-N 404.535 5.337 0 40 HKAB CCSc1nnc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)s1 225674877 LFUAZSFSASPYKU-UHFFFAOYSA-N 417.581 5.074 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 225829103 IDMPIKARQOZASC-GOTSBHOMSA-N 407.554 5.450 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2cccc(Cl)c2)nc1-c1ccc(F)cc1 408696951 COMABNQXNFLMGX-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB CCC(C)(C)C1CCC(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)CC1 408707206 LCQIXZVCFAKNGA-UHFFFAOYSA-N 420.597 5.046 0 40 HKAB COc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccc(C)c(C)c2)s1 408825875 JWUHLHIEGQBGMY-UHFFFAOYSA-N 414.530 6.355 0 40 HKAB O=C(N[C@H](c1cccs1)C1CCOCC1)c1cccc(OCc2ccccc2)c1 585149430 ROAGTBSZMBRDKG-QHCPKHFHSA-N 407.535 5.225 0 40 HKAB CN(Cc1ccccc1)[C@@H]1CCC[C@@H](Oc2ccccc2Oc2cccc(F)c2)[C@@H]1O 585263278 UNGSXMLPRAFONJ-DNRSQYFGSA-N 421.512 5.411 0 40 HKAB Cc1ccc(C)c(OCc2nc(C(C)C)c(-c3cccc(Cl)c3)cc2C(=O)O)c1 585265422 PBTZFFRKJCCNKI-UHFFFAOYSA-N 409.913 6.419 0 40 HKAB CCOC(=O)c1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc(C)c1CC 668748 TWHZSYKTDWNIKF-UHFFFAOYSA-N 421.518 5.672 0 40 HKAB O=C(CSc1nc2ccccc2o1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 707581 RNLJAIZWPNKBSU-UHFFFAOYSA-N 420.334 5.596 0 40 HKAB O=C(CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc12)Nc1ccccc1 922155 XLJGCPNYBTZZOL-UHFFFAOYSA-N 407.445 5.306 0 40 HKAB O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1nc(COc2ccccc2)cs1 1467703 ABAHUGQVSWRDED-MDZDMXLPSA-N 404.413 5.393 0 40 HKAB Cc1cc(C(=O)c2ccccc2)ccc1OC(=O)COc1ccccc1C(C)(C)C 1916535 YLNQLSVOPOWOBS-UHFFFAOYSA-N 402.490 5.508 0 40 HKAB Clc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1 2093779 FXOGRMMYMQGITA-UHFFFAOYSA-N 415.920 7.323 0 40 HKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2ccc(F)c(F)c2)C4)cc1 2122573 KDBHFCUMFUMIQM-UHFFFAOYSA-N 421.399 5.103 0 40 HKAB biogenic O=c1c(SCc2ccccc2)c(S[C@@H]2CCCCO2)cnn1-c1ccccc1 2183680 YMYQGRDILLDMCW-HXUWFJFHSA-N 410.564 5.144 0 40 HKAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc(C3CC3)cc(-c3ccccc3)c12 2192466 AATXJOWRICKEKA-UHFFFAOYSA-N 404.922 6.307 0 40 HKAB Cc1cc2nc(SCCOC(=O)Nc3cccc(Cl)c3)nc(C)c2cc1C 2276359 XLRDQGIAJMQZCY-UHFFFAOYSA-N 401.919 5.549 0 40 HKAB O=C(Oc1cc(-c2ccccc2Cl)c2oc(=O)sc2c1)c1ccccc1Cl 2334425 HSANXANPGYHQAB-UHFFFAOYSA-N 417.269 6.048 0 40 HKAB CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(C(C)(C)C)cc1 2444859 CICXRGFXNSJHNV-UHFFFAOYSA-N 413.974 5.891 0 40 HKAB Clc1ccc(Cn2c(Cc3cccc4ccccc34)nc3ccccc32)c(Cl)c1 2689380 HNRCEBPJFABPAT-UHFFFAOYSA-N 417.339 7.135 0 40 HKAB Clc1cccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)n2ncnc2N3)c1 2707253 RPZQBPAOSZMSFU-RTWAWAEBSA-N 418.909 5.553 0 40 HKAB O=C(Nc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1)c1cc2c(s1)CCC2 3230679 FYMGFMKWZLXIIJ-UHFFFAOYSA-N 408.548 5.292 0 40 HKAB CN(C(=O)c1cccc(C(F)(F)F)c1)[C@@]1(c2ccccc2Cl)CCCCC1=O 3236259 ZJYWHOAGPJLHGT-HXUWFJFHSA-N 409.835 5.469 0 40 HKAB COc1cc2c(cc1NC(=O)N1CCCC[C@H]1c1cccnc1)oc1ccccc12 3999755 CIRRHFCOGSZELD-FQEVSTJZSA-N 401.466 5.749 0 40 HKAB biogenic Cc1ccc(-n2c(SCc3cccc(C)c3)nc3c([nH]c4ccccc43)c2=O)cc1 4106596 ZHAGKTKGVBKGCL-UHFFFAOYSA-N 411.530 5.776 0 40 HKAB O=C(Nc1ccccc1)Oc1cccc([C@@H]2SCC(=O)N2Cc2ccccc2)c1 4110168 VBBUXZZKHRRFLE-QFIPXVFZSA-N 404.491 5.072 0 40 HKAB Cc1cccc(OCC(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)c1 4162455 KIDZJEQWRHPEDG-UHFFFAOYSA-N 400.434 5.011 0 40 HKAB COc1ccccc1C(=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 4591303 UZZDYXKAXHNJKA-ROYMIACWSA-N 402.450 5.318 0 40 HKAB CCOc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2ccc(CC)cc23)cc1 4970356 AALFJUJWIQFGQU-UHFFFAOYSA-N 407.517 6.510 0 40 HKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2ccccc2)cc1 6039145 PYRSKVZRWJPPLG-UHFFFAOYSA-N 418.497 5.113 0 40 HKAB CCOc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(F)cc32)cc1 6600810 OUGBRGJEYOXHDG-UHFFFAOYSA-N 415.512 5.956 0 40 HKAB COc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCc1ccc(Cl)c(Cl)c1 6857370 KUHPYLHUYSYJOH-UHFFFAOYSA-N 424.412 6.885 0 40 HKAB CN(Cc1ccsc1)C(=O)CSc1nnc(-c2ccccc2)c2ccccc12 7772273 VZLADCQSLSFNOE-UHFFFAOYSA-N 405.548 5.109 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 7882216 LMZFQVXVQPYFIA-INIZCTEOSA-N 406.869 5.124 0 40 HKAB COc1cc(CNC2CCCC2)cc(Br)c1OCc1ccccc1F 8470450 SIJXZSJVASYCNG-UHFFFAOYSA-N 408.311 5.208 0 40 HKAB COc1ccc(-c2noc(CN(C(=O)Nc3cccc(C)c3)C3CCCCC3)n2)cc1 9190819 DLRRWINWDZJCST-UHFFFAOYSA-N 420.513 5.420 0 40 HKAB Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)c1 9192308 COQKYZSCVHJCLH-QHCPKHFHSA-N 424.500 5.544 0 40 HKAB COc1ccccc1-c1c(C)noc1-c1ccc(OCc2cccc(Cl)c2)cc1O 9410256 YVYRDQOXLUVLCK-UHFFFAOYSA-N 421.880 6.264 0 40 HKAB biogenic COc1ccccc1C(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccccc1C 9427566 DLCOLHOUDPUZPS-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB Cc1cccc(N2CCN(C(=O)c3ccc4noc(-c5ccccc5)c4c3)CC2)c1C 9561482 RMMLNRKYPKBLRR-UHFFFAOYSA-N 411.505 5.074 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 10660589 MLWPKZIDUKQKPA-UHFFFAOYSA-N 402.498 5.649 0 40 HKAB Cc1cc(NC(=O)c2c(C)nc3sc4c(c3c2-c2cccs2)CCCC4)no1 11122560 HJSVGWMPTBMWKI-UHFFFAOYSA-N 409.536 5.761 0 40 HKAB CCCCN1C(=O)[C@](O)(CC(=O)c2ccc(C3CCCCC3)cc2)c2ccccc21 12420075 LBEQQXKKBZSLPJ-SANMLTNESA-N 405.538 5.342 0 40 HKAB Brc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 12579813 BQACHTJVYRIJGM-YLJYHZDGSA-N 411.324 5.753 0 40 HKAB COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=C[C@H](OC)[C@]12C 12654701 PKKAVGRGAYJIIP-OEIASMNHSA-N 418.618 5.141 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1 14110932 OMMRBFVZMUVSIV-GOSISDBHSA-N 402.494 5.470 0 40 HKAB CC(C)Cc1ccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2CCCO)cc1 15188794 VQMKOYAXXFXACA-GYHWCHFESA-N 400.975 5.683 0 40 HKAB CCCCC(=O)Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1OC 15231393 MTSXZKSCVYSOAM-UHFFFAOYSA-N 416.930 5.944 0 40 HKAB O=C1N[C@@H](c2ccc(-c3cc(Cl)cc(Cl)c3)o2)Nc2sc3c(c21)CCCC3 16184309 CKHXPILHGAGHNI-GOSISDBHSA-N 419.333 6.048 0 40 HKAB Oc1nc(SCc2ccc(Cl)cc2Cl)nnc1Cc1ccccc1Cl 16777189 MEDONQMMUFAATJ-UHFFFAOYSA-N 412.729 5.421 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1ncc(-c2cccc(Br)c2)o1 16841104 WHVULKKOAPLWCZ-UHFFFAOYSA-N 417.328 5.452 0 40 HKAB CCn1ncc(CN2CCC(c3cc(Cc4cccc(F)c4)cc(C)n3)CC2)c1C 19691591 XYQKMEMIPDXFHD-UHFFFAOYSA-N 406.549 5.024 0 40 HKAB C[C@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc(C(C)(C)C)cc1 20040210 JDPKMWCVLPPBLQ-AWEZNQCLSA-N 410.410 6.402 0 40 HKAB O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1cc(Cl)ccc1Cl 20716852 IRLILXKPPNFHBX-UHFFFAOYSA-N 400.221 5.155 0 40 HKAB O=C(COc1ccc(Br)cc1)N(Cc1cccs1)c1ccc(F)cc1 20896866 OFSSRAWPAFTWKZ-UHFFFAOYSA-N 420.303 5.262 0 40 HKAB CCOc1ccc([C@H]2CN(Cc3ccccc3)CC[C@@H]2NCc2ccccc2)cc1 26440562 MENHDFSNXLOASS-SXOMAYOGSA-N 400.566 5.233 0 40 HKAB COc1ccccc1-c1nc(-c2cccc(NC(=O)Nc3ccccc3Cl)c2)no1 28221938 GGRAXHJZRGIOSC-UHFFFAOYSA-N 420.856 5.710 0 40 HKAB S=c1n(CN(C2CCCC2)C2CC2)nc(COc2ccccc2Cl)n1C1CC1 32923196 QHOYVVOBJPBLSJ-UHFFFAOYSA-N 418.994 5.346 0 40 HKAB O=C(NCc1cccc(F)c1)c1ccccc1SC[C@H]1CCCN2CCCC[C@@H]12 33435705 LPNFTHYQNAWEIM-KNQAVFIVSA-N 412.574 5.112 0 40 HKAB COc1ccc(C2=NN3[C@H](c4cccc(OC)c4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 36350580 DJXGCIDACJFQKY-VWNXMTODSA-N 420.896 5.600 0 40 HKAB Cc1cccc(Cn2c(SCC(=O)Oc3ccc(C)c(C)c3)nc3ccccc32)c1 41076822 NBLPEGVSZCDEFC-UHFFFAOYSA-N 416.546 5.708 0 40 HKAB CCC(CC)(CC(=O)Nc1cccc(/C=C\c2nc(C3CCC3)cs2)c1)C(=O)O 43769750 BZMKNPGKXJAIDV-QXMHVHEDSA-N 412.555 5.801 0 40 HKAB Cc1ccc(CNC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 46078858 ZKCFXQAQLZJOMW-UHFFFAOYSA-N 418.924 5.171 0 40 HKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 59960849 FITADJSPLLHJET-OAHLLOKOSA-N 410.926 5.712 0 40 HKAB O=C(c1cnc2ccccc2c1NCc1ccccc1C(F)(F)F)N1CCCCC1 72328453 WRUJCWUGZFRXHP-UHFFFAOYSA-N 413.443 5.492 0 40 HKAB CCC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cc2cc(OC)ccc2nc1Cl 79047220 RSNFXEBXSNFVGG-HXUWFJFHSA-N 411.864 5.124 0 40 HKAB Cc1ccc(NC(=O)N(CCO[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C2CCCCC2)cc1 100728996 OPEXHECXYNEPKO-ROSOWXQZSA-N 412.618 6.393 0 40 HKAB Cc1ccc(NCc2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1Cl 107030119 XGJYNIASJMUNOH-UHFFFAOYSA-N 422.355 7.646 0 40 HKAB O=C(NC(=S)Nc1cccc(Cl)c1)c1sc2cc(Cl)ccc2c1Cl 107753761 ZECWJKZIHFOTDC-UHFFFAOYSA-N 415.754 5.988 0 40 HKAB O=C(NCc1ccc2ccccc2c1)c1ccc(OCc2ccccc2Cl)cc1 222788150 PGTBBLNZJCGPKM-UHFFFAOYSA-N 401.893 6.002 0 40 HKAB CCC1(CC)C[C@H](NC(=O)c2cccc(OCc3ccccc3)c2)c2ccccc2O1 223051094 PFVWGRNYYKLKGB-DEOSSOPVSA-N 415.533 6.078 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223313636 YMOKTHSZKLMEOO-IBGZPJMESA-N 423.925 5.808 0 40 HKAB O=C(Nc1ccccc1)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224065436 REBCYCCIJKPHGF-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccc(Cl)cc1 224268779 CIKYDBLNCVTIIJ-INIZCTEOSA-N 403.975 5.036 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1cccc(C)c1 224386188 PTHIDCINBDMYSL-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB CCOc1ccc(CCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1OCC 224394940 ZYEDAJKKPJCZKG-UHFFFAOYSA-N 404.510 5.041 0 40 HKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1C 225341336 ALOJNMWRHKNBCA-PKTZIBPZSA-N 420.582 5.001 0 40 HKAB CSc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c1 225518569 VJJGRMQKHUMGJY-ZHZULCJRSA-N 408.548 5.188 0 40 HKAB Cc1cccc([C@H](NC(=S)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1 225698496 RXAGNOUGMAHPPB-HXUWFJFHSA-N 400.469 6.090 0 40 HKAB CCc1ccc(-c2csc(NC(=O)[C@@H]3[C@H]4CC[C@@H](C4=C(C)C)[C@H]3C(=O)O)n2)cc1 245240856 UKJGSAZZKIRXKP-XAMWDVODSA-N 410.539 5.004 0 40 HKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccc(C(C)C)cc3)sc2n1 408622389 PYGSSWQUIKIZOQ-UHFFFAOYSA-N 412.584 5.389 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccc(C)cc2C)c1 408695849 TZIRVXZQEKCHHA-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB CCCc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccc(Cl)cc1Cl 408827803 KUSUCXWABVBBCZ-UHFFFAOYSA-N 409.313 6.461 0 40 HKAB CCc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)n1CC(C)C 409093573 AUHIRIBHHDSQLE-UHFFFAOYSA-N 422.598 5.127 0 40 HKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccccc2)cc1 409108531 UZMTUZRLNVZETK-UHFFFAOYSA-N 413.546 5.396 0 40 HKAB Cc1ccc(C2=N/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C(=O)O2)cc1Cl 409196729 WQGYUQGZIKJLRJ-WSDLNYQXSA-N 421.855 5.711 0 40 HKAB COC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2OCc2ccccc2)on1 1857793991 MZKVDBSOGYZKJC-UHFFFAOYSA-N 415.445 5.286 0 40 HKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 665268 RUVNCTUDQIQURU-UHFFFAOYSA-N 400.478 6.053 0 40 HKAB COc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 805573 WLZFDLVQMINAOO-UHFFFAOYSA-N 415.276 5.507 0 40 HKAB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccccc1F 822388 MEMJAXIPVXUZEX-UHFFFAOYSA-N 417.552 6.249 0 40 HKAB Cc1cc2cc(CN(CCc3ccccc3)C(=O)c3ccccc3)c(=O)[nH]c2cc1C 1366587 SFQAWSDXDNUMPI-UHFFFAOYSA-N 410.517 5.030 0 40 HKAB Cc1nc(C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1cc(Cl)cc(Cl)c1 1385709 FOCYRKQPCNSEGH-UHFFFAOYSA-N 416.095 5.442 0 40 HKAB O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)NC(=S)N1c1ccccc1 1452593 GVWLKUAHPWJUAL-BOPFTXTBSA-N 415.301 5.516 0 40 HKAB COc1ccc(-c2oc(-c3ccccc3)c(-c3ccccc3)c2Br)cc1 1690588 WIDDTCYCMVKLQW-UHFFFAOYSA-N 405.291 7.052 0 40 HKAB CCCCCCSc1nnc2c(n1)O[C@H]([C@H]1CC=C(C)CC1)Nc1ccccc1-2 2073887 ZNAMFBGPSXMBEN-LAUBAEHRSA-N 410.587 6.088 0 40 HKAB CCCCCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCC(=O)C(C)(C)C 2150781 WIVYFQCTFZTIBY-UHFFFAOYSA-N 420.549 6.577 0 40 HKAB biogenic COc1cccc(-c2nc(Oc3ccc(Br)cc3)c3ccccc3n2)c1O 2218807 RPHIUCHCBLFUPD-UHFFFAOYSA-N 423.266 5.566 0 40 HKAB Clc1ccc(-c2nnc3sc(-c4ccc(Br)o4)nn23)c(Cl)c1 2442926 RFNGTRVQDKSZKF-UHFFFAOYSA-N 416.087 5.182 0 40 HKAB Cc1cc(NC(=O)c2cccc3ccccc23)ccc1-c1cc2ccccc2oc1=O 2737269 SBCIWUQUNKWUPL-UHFFFAOYSA-N 405.453 6.174 0 40 HKAB CCCOC(=O)c1c(NC(=O)c2ccc(OCC(C)C)cc2)sc2c1CCCC2 2750422 GSOJRJCVXKJTTP-UHFFFAOYSA-N 415.555 5.481 0 40 HKAB CCOc1cc(C(=O)Oc2ccccc2Cc2ccccc2)cc(OCC)c1OCC 3321179 FLOVFKVBLJCXSQ-UHFFFAOYSA-N 420.505 5.693 0 40 HKAB CCn1c(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)nnc1-c1cccs1 3332778 HPONHDAGPQGMHC-UHFFFAOYSA-N 417.559 5.573 0 40 HKAB CCCOc1cccc(C(=O)Nc2c(C(=O)c3ccc(C)cc3)oc3ccccc23)c1 3655557 AUEHQROEOVJLQL-UHFFFAOYSA-N 413.473 6.013 0 40 HKAB COc1cccc(NC(=S)NCC[C@@H]2[C@@H](c3c(C)[nH]c4ccccc34)C2(C)C)c1 3765643 XXNNSDUGRAXDJZ-KNQAVFIVSA-N 407.583 5.601 0 40 HKAB Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1 4033542 WHZXNPFXQLQEMN-FQEVSTJZSA-N 413.496 5.361 0 40 HKAB Clc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)cc1 4548266 FMGVVOPGRLLZFH-OAQYLSRUSA-N 411.730 6.458 0 40 HKAB Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@@H]2c2cccs2)c(C)c1 5451046 STWXOOOBHHHVKL-QHCPKHFHSA-N 404.535 5.103 0 40 HKAB COc1cccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)nc3n2CCO)c1 5453329 VFKRJOWVQAXBAE-UHFFFAOYSA-N 409.489 5.138 0 40 HKAB O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 6496534 WTHMCRPLAKRAGX-UHFFFAOYSA-N 412.876 6.483 0 40 HKAB CCOc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(Cl)cc32)cc1 6600818 NMTSJLZZPGEJEK-UHFFFAOYSA-N 410.304 5.826 0 40 HKAB COCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccccc1C 6665072 BFVBXZMOPLNZQC-UHFFFAOYSA-N 416.525 5.245 0 40 HKAB O=C(c1ccccc1Br)N(Cc1ccc(Cl)cc1)Cc1ccco1 6810566 WIFJZTYBDFCHIE-UHFFFAOYSA-N 404.691 5.538 0 40 HKAB Cc1ccc(-n2cccc2/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1 6966520 OIWIIQWUQUNTBT-DEDYPNTBSA-N 407.926 5.639 0 40 HKAB Cc1cc(/C=C/C(=O)N2CCC(c3nc4ccccc4s3)CC2)c(C)n1C1CC1 7312494 RDNORKLTXARXNB-JXMROGBWSA-N 405.567 5.469 0 40 HKAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(Oc2ccccc2)cc1 7471483 BBAZIXLXIZUYAM-INIZCTEOSA-N 416.506 5.383 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)N1CCC[C@H]2CCCC[C@H]21 7772289 GOLAWBFGSKSVEB-XMSQKQJNSA-N 417.578 5.570 0 40 HKAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 7929105 KOYGMIQQYJTZPI-LJQANCHMSA-N 401.506 5.486 0 40 HKAB O=C(NCCSc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccc(Cl)cc1 8924059 AZPQLJHJANFVMB-UHFFFAOYSA-N 424.928 6.150 0 40 HKAB S=C(NC[C@H]1CCCO1)Nc1ccc(Sc2ccc(Br)cc2)cc1 9632720 WYWDYDMKNOKHJY-OAHLLOKOSA-N 423.401 5.066 0 40 HKAB O=C(c1ccccc1Nc1ccc(F)cc1)N1CCC(c2nc3ccccc3o2)CC1 9867675 BAIAIZAUNKQAAT-UHFFFAOYSA-N 415.468 5.730 0 40 HKAB CC(=O)N1c2ccccc2N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1 10013805 RDWLYJYOGVCERH-HSZRJFAPSA-N 419.322 6.068 0 40 HKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCC3CCCCC3)CC2=O)cc1 12447795 AEODDGQHDRSGKN-OAQYLSRUSA-N 401.554 5.836 0 40 HKAB CCOc1ccc(-c2nc(CSc3nnc(C)n3-c3ccccc3)cs2)cc1 12537078 ZGVHUYWASPJARN-UHFFFAOYSA-N 408.552 5.390 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3F)c2n1 13148802 NSUVYEYYIGCCSG-UHFFFAOYSA-N 413.663 5.660 0 40 HKAB Cc1ccc(N2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C[C@H]2C)cc1 13320557 VHLKTDMRTONXKH-CQSZACIVSA-N 411.855 5.410 0 40 HKAB Fc1ccc(C2=NN(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3Cl)C2)cc1 13424671 BPOYZQBFRCVADD-NRFANRHFSA-N 419.714 7.142 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CCc3ccccc3)c2)cc1 13620076 DSBVRNYDUCMWHC-UHFFFAOYSA-N 400.522 5.808 0 40 HKAB CCCOc1ccc([C@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 13800203 SOMMUXBZFUINMP-AOYPEHQESA-N 414.505 5.726 0 40 HKAB CC(=O)c1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 15881150 XQGYDHKDDDXMRL-UHFFFAOYSA-N 415.489 5.434 0 40 HKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2C)c1 17090366 QTRRDKZHPHGGDY-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB O=C(NC(=S)Nc1ccc(CN2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1 17092945 WVIVJOOJMLRQBH-UHFFFAOYSA-N 422.381 5.106 0 40 HKAB C[C@@H](CCN1CCC([C@H](NC(=O)C(C)(C)C)c2ccccn2)CC1)c1ccccc1 19455620 ZEUFVUZSURBMIG-RDPSFJRHSA-N 407.602 5.191 0 40 HKAB O=C(c1cccc2cccnc12)N1CCC[C@@H]1c1ccc(Cc2ccccc2F)cn1 19687900 KLDBNDWGIOFUMC-XMMPIXPASA-N 411.480 5.337 0 40 HKAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1cccc(Cl)c1)CO3 19882356 KFYJZBIYVDPBGV-UHFFFAOYSA-N 403.865 5.466 0 40 HKAB biogenic CCn1c2ccccc2c2cc(NC(=O)COc3cccc(C(F)(F)F)c3)ccc21 20497226 RWSDQXJGEAZMRD-UHFFFAOYSA-N 412.411 5.851 0 40 HKAB CC(C)c1csc(NC(=O)c2ccc(C(=O)Nc3nc(C(C)C)cs3)cc2)n1 25405109 ZJWTVVLNGIBVME-UHFFFAOYSA-N 414.556 5.351 0 40 HKAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCc1ccc(Cl)cc1Cl 26068182 QAVFGXCKSNNPER-UHFFFAOYSA-N 409.294 5.139 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)Nc1cn(-c2ccccc2)nc1-c1ccccc1 27515769 QTXHGZXUJWASLO-UHFFFAOYSA-N 423.303 6.490 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CSc3nc4ccc(C)cc4[nH]3)ccc21 32692411 CSKCVSKHSMFWKK-UHFFFAOYSA-N 414.534 5.730 0 40 HKAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 32960937 UEIOEYXPUAMBMA-QGZVFWFLSA-N 417.553 5.092 0 40 HKAB C[C@@H]1C/C(=C\c2cccs2)C2=NN(C(=O)c3ccncc3)[C@@H](c3cccs3)[C@@H]2C1 38204112 DBOVRNHDBFCWEW-KRXSSQFPSA-N 419.575 5.887 0 40 HKAB CC(C)c1ccc(Nc2nn(CN(Cc3cccnc3)C3CC3)c(=S)s2)cc1 57407613 MVKJTICXZICRQZ-UHFFFAOYSA-N 411.600 5.558 0 40 HKAB O=C(CCc1ccccc1)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359466 OXLZFXBWXCAPRC-FQEVSTJZSA-N 405.929 5.136 0 40 HKAB O=C(Nc1nc(-c2ccccc2)ns1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 84564818 QJECDRPESNZRJO-MRXNPFEDSA-N 419.337 5.881 0 40 HKAB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1OC 214427933 RQSHKECXFMTWPI-CAOOACKPSA-N 424.305 5.247 0 40 HKAB CCCCCn1c(SCc2nc(-c3ccccc3C)no2)nc2ccccc2c1=O 225532344 YZWHRZQZCLOZSZ-UHFFFAOYSA-N 420.538 5.237 0 40 HKAB CN(C)CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1 225553473 FGABPTXPYMYLTH-UHFFFAOYSA-N 400.950 5.121 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)N[C@H](C)CC)cc1 225580074 BPNHHQZDRDPWAG-PXDATVDWSA-N 422.613 5.212 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCCN3CCC[C@@H](C)C3)cc2)CCC(C)CC1 225720724 UKIHROCSYJEUPP-YOOZRZFBSA-N 416.606 5.111 0 40 HKAB Cc1cccc(-c2noc(CCC(=O)Nc3ccccc3Sc3ccccc3)n2)c1 225814601 CVIPTSHSBYDMIJ-UHFFFAOYSA-N 415.518 5.768 0 40 HKAB O=C(Nc1ccc2sncc2c1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 225909940 XLGRGVZOUFTZIQ-ZDUSSCGKSA-N 420.365 5.454 0 40 HKAB COc1ccc(CCCNc2cccc([C@H]3CCCN(C4CCCCC4)C3)n2)cc1 257215764 CROCJQSNLMRTOD-QFIPXVFZSA-N 407.602 5.647 0 40 HKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260814641 LXMSGLSANCIWIF-HYBUGGRVSA-N 404.595 5.254 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(C)cc2)cc(Cl)c1OCc1ccc(C)cc1 408552074 HARWOWOXBOGPNO-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB Cc1c(Cl)cccc1NCc1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 409113234 DZMNQWFTFPVHPY-UHFFFAOYSA-N 424.730 7.285 0 40 HKAB Cc1ccc(C)c(OCc2nc(CC(C)C)c(-c3cccc(Cl)c3)cc2C(=O)O)c1 585265144 HQRAPMKBIWPSEU-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)C(C4(C)OCCO4)=CC[C@H]32)C1 2049238354 JYRJWVYVMVQZQS-AIGJZXDYSA-N 400.559 5.180 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2ccc(C)cc2)c1C 649829 HAQNSWAKHIUSED-UHFFFAOYSA-N 422.506 5.046 0 40 HKAB CCOc1ccc2nc(SCC(=O)N3c4ccccc4C(C)=CC3(C)C)sc2c1 719579 MAHVBGHEFDKTOP-UHFFFAOYSA-N 424.591 6.016 0 40 HKAB CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2Cl)c2ccccc2)C[C@H]1C 854350 YGKFAOJJDSDQMV-OSPHWJPCSA-N 418.924 5.873 0 40 HKAB COc1ccc2nc3sc(C(=O)Nc4ccccc4C(F)(F)F)c(N)c3cc2c1 862120 VQXIVXPXERSGGX-UHFFFAOYSA-N 417.412 5.311 0 40 HKAB Cc1cccc(C)c1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 919390 XXPGPINSPMUFBX-XJKSGUPXSA-N 404.392 5.006 0 40 HKAB Cc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(CC(C)C)C(=O)c1ccccn1 1418772 KMIAZUVMGLCZLU-XMMPIXPASA-N 415.537 5.177 0 40 HKAB CSc1c(CC(=O)Nc2ccc(Cl)cc2)n(Cc2ccccc2)c2ccccc12 1661672 PSWUWKSWXBQZGC-UHFFFAOYSA-N 420.965 6.246 0 40 HKAB CCCCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 1812271 SBEKRONGJRGJOO-UHFFFAOYSA-N 402.567 6.387 0 40 HKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1C 2128686 UAKFCLCKYOPIEF-UHFFFAOYSA-N 419.981 6.421 0 40 HKAB CCc1ccc([C@H]2N(c3ccc(C)cc3)N=C(C(C)=O)N2c2ccc(F)cc2)cc1 2177888 LQSJDRQUMXKDNL-RUZDIDTESA-N 401.485 5.624 0 40 HKAB CC(=O)N(CC[C@H](Cc1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccco1 2256929 WFTPLGLVKOUJHY-XMMPIXPASA-N 405.538 5.832 0 40 HKAB CCCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 2271886 JLIFGQAMUBBSKQ-UHFFFAOYSA-N 421.591 6.260 0 40 HKAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1c(OCC)ccc2ccccc12 2721920 UELAVIWJADWGMW-UHFFFAOYSA-N 402.450 5.149 0 40 HKAB O=C(NCc1ccc(Cl)c(Cl)c1)[C@H](Sc1ccccc1)c1ccccc1 2736950 FHHVFTRLZMXEAZ-HXUWFJFHSA-N 402.346 6.143 0 40 HKAB COc1ccc(CNc2nc(SCc3ccccc3F)nc3ccccc23)cc1 2948811 IJWXNKBQTABQAW-UHFFFAOYSA-N 405.498 5.682 0 40 HKAB CCN(CC)c1ccc(C(=O)NC(=S)Nc2nc(-c3ccccc3)c(C)s2)cc1 3188306 DTBMHSZBUJGBFI-UHFFFAOYSA-N 424.595 5.092 0 40 HKAB CCC(=O)N(CC[C@@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 4046672 FCOZMFBWWWZEKA-VWNXMTODSA-N 417.634 6.080 0 40 HKAB biogenic Cc1ccc(NC(=O)CN2C(=O)C[C@H](c3ccco3)Sc3ccccc32)c(C)c1 4162809 DLABZKYRSUZGEE-OAQYLSRUSA-N 406.507 5.105 0 40 HKAB Cc1ccccc1C(=O)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 4230994 HVNHGNFDJVEDAV-UHFFFAOYSA-N 402.538 5.428 0 40 HKAB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@]12C(=O)c1cccc3cccc2c13 4671061 TUYCVRTUFAKYRA-DXBVXKBHSA-N 408.884 6.224 0 40 HKAB CCCCCC(=O)NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 4736614 DJWAQFIYRDOXRW-UHFFFAOYSA-N 409.511 5.078 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 4747543 NUXYEQSDBYSKIR-UHFFFAOYSA-N 400.261 5.485 0 40 HKAB CCOc1ccccc1Nc1nnc(SCc2cc(C(C)=O)ccc2OC)s1 4843426 SMQUNZHUFWAUCQ-UHFFFAOYSA-N 415.540 5.184 0 40 HKAB COc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3Cl)=NC2(C)C)cc1 4892086 IDJYCBUQUJZOJN-UHFFFAOYSA-N 407.322 5.011 0 40 HKAB CCOc1ccc(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccc(OCC)cc3)C2)cc1 4995295 HGCXHTUNCYIQAW-UDKPXMKSSA-N 412.533 6.505 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCc1cccc(Cl)c1 5531056 FXJABXJYAMLMLW-UHFFFAOYSA-N 409.700 5.583 0 40 HKAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCc1c(F)cccc1Cl 5712461 UUIYSYMWXVYVGW-UHFFFAOYSA-N 407.938 5.618 0 40 HKAB CCCOc1ccccc1[C@@H]1SCC(O)=Nc2c1c(O)nn2C1CCCCCC1 5965521 MYBRRXSNOPGAPS-FQEVSTJZSA-N 415.559 5.697 0 40 HKAB CC(C)(C)c1ccc(NC(=O)Cn2c(-c3ccccc3Cl)nc3ccccc32)cc1 6313563 TYRSTUPAJVRZKO-UHFFFAOYSA-N 417.940 6.293 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1 6337967 ULCLIMQZQIUBHA-UHFFFAOYSA-N 402.494 6.110 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(OCC(C)C)cc1 6425183 GONTXSXQOYWELJ-UHFFFAOYSA-N 416.546 6.559 0 40 HKAB O=c1[nH]c(/C(Cl)=C/c2ccc(Cl)cc2)nc2scc(-c3cccs3)c12 6508559 BAVZIZKTKPZIQJ-JYRVWZFOSA-N 405.331 6.103 0 40 HKAB CCc1ccc(C2=Nc3ccc(Br)cc3C(c3ccc(C)o3)=NN2)cc1 6821893 NYNMCQGIDIFFHX-UHFFFAOYSA-N 408.299 5.347 0 40 HKAB Cc1noc(C)c1C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 6974942 QGVGVJAPBGGJCU-UHFFFAOYSA-N 403.301 5.457 0 40 HKAB O=C(CSc1nccn1Cc1ccccc1)Nc1ccccc1Oc1ccccc1 8134395 UNBRLDVOBGPTPL-UHFFFAOYSA-N 415.518 5.455 0 40 HKAB C[C@@H](NCc1cccc(OCc2ccc(Cl)cc2)c1)C12CC3CC(CC(C3)C1)C2 8306447 JCUOIPAVBKYKBI-FNDIMGIGSA-N 410.001 6.614 0 40 HKAB O=C(Nc1nc2c(Cl)cc(Cl)cc2s1)c1cccc(Oc2ccccc2)c1 8956113 PFVXZRYAEDETQV-UHFFFAOYSA-N 415.301 6.648 0 40 HKAB COc1ccc(-c2c(-c3ccc(OCc4cccc(Cl)c4)cc3O)n[nH]c2C)cc1 8996177 LNUSHWNIRCQOCP-UHFFFAOYSA-N 420.896 5.999 0 40 HKAB CCc1ccc(C(=O)CSc2nnc(SCc3ccc(OC)cc3)s2)s1 9244930 LUBUOHCTSXOXPE-UHFFFAOYSA-N 422.622 5.438 0 40 HKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCCOc1ccc2ccccc2c1 10310528 AQMQTUKOWSSNRD-UHFFFAOYSA-N 420.896 5.276 0 40 HKAB CC(C)(C)c1ccc(CCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 10332959 GVKMSSIOUOTSFS-UHFFFAOYSA-N 424.437 6.273 0 40 HKAB O=C(Cc1cccc2ccccc12)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 11617413 ITFUXBMYIJWHBU-UHFFFAOYSA-N 414.317 5.846 0 40 HKAB Cc1cccc(Cc2cnc(NC(=O)CCc3ccc(-c4ccccc4)o3)s2)c1 11689916 OZWZWOROGIKWDU-UHFFFAOYSA-N 402.519 5.874 0 40 HKAB O=C(Nc1ccc(Br)cc1Cl)c1occc1COc1ccccc1 12864580 CGUHPHLIZOGAAO-UHFFFAOYSA-N 406.663 5.527 0 40 HKAB C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccccc4C(=O)NC4CCCC4)cc3c2C1 12976493 DDJAHAGTJPKANO-MRXNPFEDSA-N 415.537 5.217 0 40 HKAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1ccc(CSC(F)F)o1 12982265 OLUBSOMXRGWENW-UHFFFAOYSA-N 402.394 5.389 0 40 HKAB Cc1cc(C)c2nc3c(cc2c1)CN(CCc1ccc(-c2ccccc2)cc1)CCO3 13563813 WPEUKWYJQKPGMM-UHFFFAOYSA-N 408.545 5.956 0 40 HKAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(C(C)C)cc1 15016907 FKEIPJGEJTWOOH-JOCHJYFZSA-N 420.538 5.218 0 40 HKAB Fc1cc2c(c(CN3CCC[C@@H](C(F)(F)F)C3)c1)O[C@H](c1ccsc1)OC2 16046969 XPUAMBZGQNYXQP-CRAIPNDOSA-N 401.425 5.269 0 40 HKAB CCCCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 16758085 QTKYPDWATPWUDT-UHFFFAOYSA-N 407.970 6.942 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3)oc2c1 17089400 NWAPXQSCPVUUFB-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB Cc1nc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)ccc1Br 17091228 YRBJHBXYAKVNES-YRNVUSSQSA-N 417.690 5.718 0 40 HKAB Cc1cc(C)cc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 17091768 KIJOGDHCGWZOPO-UHFFFAOYSA-N 419.333 5.997 0 40 HKAB CC1CCN(c2ncnc3c2sc2nc(N4CCCCC4)c4c(c23)CCCC4)CC1 20029223 LJLHQTJZZYIFPG-UHFFFAOYSA-N 421.614 5.345 0 40 HKAB Cc1ccccc1C(=O)N[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 20418398 YORBLZOBLZYTSX-HXUWFJFHSA-N 403.869 5.218 0 40 HKAB CN(C)CCOc1ccc(/C(=C(/Br)c2ccccc2)c2ccccc2)cc1 22053149 IAJYQHATSIOBSH-WCWDXBQESA-N 422.366 5.939 0 40 HKAB in-vitro Cc1cccc(N2C(=O)/C(=C\c3c(Cl)nc4sccn34)c3ccccc3C2=O)c1 23164046 ZZRQXLNFCMLYDX-ATVHPVEESA-N 419.893 5.085 0 40 HKAB CCC(=O)Nc1s/c(=N\c2ccccc2)n(C[C@@H]2CCCO2)c1-c1ccc(C)cc1 26688361 QEXCRPNPEWLNKW-NJGFXUCASA-N 421.566 5.285 0 40 HKAB COc1ccc(CC(=O)Nc2c(C(=O)Nc3cccc(C)c3)oc3ccccc23)cc1 27664433 YKMYGPFDBACYIZ-UHFFFAOYSA-N 414.461 5.183 0 40 HKAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(SCc2cscn2)cc1 29315925 RZBBLYAPMVFSHK-QFIPXVFZSA-N 423.607 5.002 0 40 HKAB Cc1ccc([C@H](NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c2ccccc2)cc1 36124378 KUXDYOVTSDCGFH-WXVAWEFUSA-N 412.577 5.746 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38849560 KGMSJVSJBFFUBZ-AWEZNQCLSA-N 411.760 5.806 0 40 HKAB O=C(NCc1cccc(NC(=O)C2CC2)c1)Nc1ccccc1SC1CCCC1 40104986 SHVCMRDMAATYRF-UHFFFAOYSA-N 409.555 5.392 0 40 HKAB C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1 44934163 MCXRZRORBMVINZ-AWEZNQCLSA-N 409.332 5.222 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(C)c1 49005022 PBNUEDPQZAQWOU-FQEVSTJZSA-N 402.542 5.703 0 40 HKAB CSc1cccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc23)c1 49005479 WYJJAXCQWANQBR-UHFFFAOYSA-N 406.555 5.276 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)NCCc3coc(-c4ccccc4)n3)cn2)cc1 58343185 FAHMGAAQFMTROG-UHFFFAOYSA-N 414.465 5.202 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(F)c(Cl)c2)nc1 67294355 XLGHQTWQXVIMKD-ROMGYVFFSA-N 423.831 5.119 0 40 HKAB CCC1CCC(N(C(=O)[C@@H](C)c2c(C)noc2C)[C@@H](C)c2ccc(F)cc2)CC1 72283488 ZKCXFQKVLPUVPF-KLRBPTLVSA-N 400.538 6.093 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N(Cc1ccco1)C1CCCC1 84432521 QTWWKPVWJSBJII-UHFFFAOYSA-N 407.841 5.085 0 40 HKAB C[C@H](C(=O)Nc1ccc(F)cc1C(F)(F)F)c1cccc(C(=O)c2ccccc2)c1 98073006 SKQATPIQDARNNF-AWEZNQCLSA-N 415.386 5.818 0 40 HKAB CN1[C@H]2CC[C@H]1CC(N(CCc1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1)C2 100932567 UEDDLRKJYMSMJY-SFTDATJTSA-N 417.380 5.304 0 40 HKAB CCc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 222589318 QCFKDXIQDXYCBV-KRWDZBQOSA-N 409.982 6.686 0 40 HKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 222844717 CZRUNKKFPJPWLK-ZEQRLZLVSA-N 412.562 5.406 0 40 HKAB CCc1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c(Br)c1 222955666 RMHUXMJDOMQBEW-OAHLLOKOSA-N 416.359 5.147 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 223032345 SLUNHTSNAVHJMK-PMACEKPBSA-N 417.933 5.233 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1C(C)C 223376135 POCXIOZWQRKVGN-VQTJNVASSA-N 411.586 6.204 0 40 HKAB C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCC3)cn2)C1 223973941 YXYKBZUHMAJZQN-WOJBJXKFSA-N 422.642 5.362 0 40 HKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 225098678 CGNLPAYDAJMXBP-RUZDIDTESA-N 420.597 5.102 0 40 HKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 225190783 WPGDHBOPRHYQCW-XMMPIXPASA-N 424.560 5.015 0 40 HKAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(C)c(C)c4)c(C)s3)C(=O)[C@H]12 225647181 SOLLMDNHUHVKOG-ZULIPRJHSA-N 406.551 5.217 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C(=O)OC 225678253 CSJVNIYMOBGKSW-SFHVURJKSA-N 409.526 5.409 0 40 HKAB COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ncccc34)CCCCC2)cc1 225871688 WXLINJAOSADJHQ-UHFFFAOYSA-N 418.537 5.871 0 40 HKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O)/C(=C\c3ccccc3Cl)C[C@H]12 253497888 YMHMUKZSUKEOTI-RSIZVCBRSA-N 415.017 6.098 0 40 HKAB biogenic COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1 408629056 KGYOWXSTMQQSNE-UHFFFAOYSA-N 405.837 5.374 0 40 HKAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)c1 408641767 MSOUPPYSJQZPCI-LJQANCHMSA-N 400.478 5.087 0 40 HKAB COc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3)n2)c1 408696411 BDUIOKHEBFBGHK-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB CCn1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(=O)c2cc(Cl)ccc21 408713301 RVRWZKLJFXIMNY-UHFFFAOYSA-N 418.880 5.719 0 40 HKAB O=C(Oc1csc(=S)n1C(=O)c1ccccc1Cl)c1ccccc1Cl 408718869 AVDGDLMZPLHYCR-UHFFFAOYSA-N 410.303 5.494 0 40 HKAB Cc1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)sc2CC(=O)O)cc1C 408893878 GOWJQSKCMZNPIX-UHFFFAOYSA-N 407.322 6.104 0 40 HKAB O=C1Nc2ccccc2S/C1=C\c1cn(Cc2ccccc2Cl)c2ccccc12 409096772 KNGIJIASPWDIIT-QRVIBDJDSA-N 416.933 6.428 0 40 HKAB COc1cccc2cc(-c3nnc(SCc4ccc(Cl)c(Cl)c4)n3C)oc12 409342463 FEQRQPCBVTZOKD-UHFFFAOYSA-N 420.321 5.836 0 40 HKAB c1ccc(C[C@H]2COC(c3cccc(C(c4ccccc4)c4ccccc4)n3)=N2)cc1 1988181061 GHRIFGCHRUEFAC-DEOSSOPVSA-N 404.513 5.650 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3OC)c3ccccc3n2)cc1 853565 JSBWWCKSBZAHNQ-UHFFFAOYSA-N 418.880 5.825 0 40 HKAB Clc1ccc(CSc2nnc(COc3ccc(Br)cc3)o2)cc1 862984 YTMWJAYZHWZTEN-UHFFFAOYSA-N 411.708 5.357 0 40 HKAB CCOc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccccc3)C3CCCC3)cc2c1 879511 IXKKZBMWAJNYEL-UHFFFAOYSA-N 421.566 5.068 0 40 HKAB C1=C(c2ccccc2)[C@@H](c2ccc(OCCN3CCCCC3)cc2)Oc2ccccc21 1610276 DBHGMZQRJDUFGS-MUUNZHRXSA-N 411.545 6.226 0 40 HKAB CCCCOc1ccc2c(=O)c(Oc3ccc(OC)cc3)c(C(F)(F)F)oc2c1 1772204 RXDZCVPOJIDXPR-UHFFFAOYSA-N 408.372 5.792 0 40 HKAB Cc1cccc(-c2ccc(OC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c(C)c2)c1 1866387 PJVGPFPGJZSXDA-UHFFFAOYSA-N 414.589 7.785 0 40 HKAB CCCC[C@H](CC)Cn1c(-c2nonc2NC(=O)c2ccccc2)nc2ccccc21 2144442 OCLHNHBQVMLUMY-KRWDZBQOSA-N 417.513 5.555 0 40 HKAB CC[C@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(Cl)cc1)CC2=O)c1ccccc1 2244915 PTJHYSRNQDMGAW-HKUYNNGSSA-N 419.912 5.175 0 40 HKAB Clc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)O2)cc1 2276586 LOCVCTDQWQYLRP-WOJBJXKFSA-N 400.703 6.333 0 40 HKAB Cc1cnc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)s1 2663928 UAKFSPKMASSEBZ-UHFFFAOYSA-N 424.323 5.682 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(COc2ccc(Cl)cc2)cc1 2756371 WNMZOWOFTQGEFG-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB O=C(/C=C/c1cccc(C(F)(F)F)c1)OCC(=O)c1ccc(-c2ccccc2)cc1 3247045 JHHFPZMZPDIHFG-NTEUORMPSA-N 410.391 5.812 0 40 HKAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc(Cl)cc1Cl 3259609 MHLZMVHABHBLFG-AUUYWEPGSA-N 424.324 5.378 0 40 HKAB Cc1ccccc1Cn1cc(SCc2cccc(C(F)(F)F)c2)c2ccccc21 4059695 RVDNSERNKGBFFJ-UHFFFAOYSA-N 411.492 7.309 0 40 HKAB COc1ccc(C(=O)CSc2nc(C3CC3)nc3sc4c(c23)CCCC4)cc1 4217291 HZEDDVHWXZFCHO-UHFFFAOYSA-N 410.564 5.431 0 40 HKAB Cc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2cc4c(cc23)OCCO4)cc1 4970060 FMHCMGYBNVMMDB-UHFFFAOYSA-N 421.500 5.937 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3C=C(C(=O)O)[C@@](C)(CCC(=O)O)[C@@H]3CC[C@@]21C 5029299 YGECWQPTUZSNGW-XDIXMGGESA-N 418.618 6.403 0 40 HKAB Cc1c(CCC(=O)NC2CC2)c(=O)oc2c(C)c3occ(-c4ccc(F)cc4)c3cc12 5348267 ZMSNUVLEJLMZQO-UHFFFAOYSA-N 419.452 5.173 0 40 HKAB CCCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3C2CCCC2)cc1 5735324 XLUWSQGCRWFFJG-HXUWFJFHSA-N 415.559 5.048 0 40 HKAB O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1ccc2ccccc2n1 5847978 QLSTUTCJDLZUCB-RUZDIDTESA-N 415.420 5.339 0 40 HKAB CC(C)(C)c1ccc(C(=O)OCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1 6186879 PDBRILXUDWJNEB-UHFFFAOYSA-N 418.518 5.306 0 40 HKAB O=C(Cc1c(Cl)cccc1Cl)Nc1cccc(-c2nnc3n2CCCCC3)c1 6278118 GUMRZJBBXMLKRG-UHFFFAOYSA-N 415.324 5.160 0 40 HKAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cc2ccccc2o1 6356628 LBDLWPGUEBAKSJ-UHFFFAOYSA-N 412.902 5.095 0 40 HKAB CCOc1ccc(NCc2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 6934876 FOROLMOKITWBKM-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB COc1cc(CNC2CCCCCCC2)ccc1OCc1ccc(F)cc1Cl 7523514 HIGSFFNLBFYRJD-UHFFFAOYSA-N 405.941 6.269 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1SC[C@@H]1CCCO1 8327446 BUUNPJQWZAKOMV-HOTGVXAUSA-N 412.580 5.401 0 40 HKAB COc1cc(CNCc2ccccc2Cl)ccc1OCc1ccccc1Cl 8472186 IPGMIWGJUUJVGZ-UHFFFAOYSA-N 402.321 5.871 0 40 HKAB O=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1ccc(Br)cc1 8788717 PKEMVZGUESXENU-UHFFFAOYSA-N 415.287 5.075 0 40 HKAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3ccc4[nH]ccc4c3)c(C)c12 8879699 LEWGDBVYFUBMRS-UHFFFAOYSA-N 400.434 5.127 0 40 HKAB biogenic COc1ccc2c(CSc3ncc(C(F)(F)F)cc3Cl)cc(=O)oc2c1 9160285 FYKWLJBOWJXDHZ-UHFFFAOYSA-N 401.793 5.161 0 40 HKAB Fc1ccc(-c2nn3c(CSc4ccccc4)nnc3s2)cc1Br 9481570 HERWAQHDBGFNMN-UHFFFAOYSA-N 421.320 5.047 0 40 HKAB O=C(c1ccc(Cl)s1)N(CCCn1ccnc1)c1nc2ccc(F)cc2s1 10381556 GCQUAEOOQJNRHG-UHFFFAOYSA-N 420.922 5.084 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)ccc1Cl 11914705 ZCFUNHKFUKIFHB-OAHLLOKOSA-N 406.869 5.863 0 40 HKAB CC[C@@H]1Oc2c(OC)cc(Br)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 12273855 NNJNUAGMWFUVJF-AEFFLSMTSA-N 421.722 5.391 0 40 HKAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nnc(/C=C/c2ccc(F)cc2)[nH]1 12757149 QUXJDMNZHWFHND-YKWSONSWSA-N 416.909 5.195 0 40 HKAB O=c1[nH]c(CN2CCc3sccc3[C@H]2C2CC2)nc2scc(-c3ccccc3)c12 12795172 GAQAIRUCYYFOLQ-OAQYLSRUSA-N 419.575 5.223 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(NCc2ccco2)s1 12795779 SHRAPQYZAXKVIO-UONOGXRCSA-N 416.572 5.376 0 40 HKAB CCOc1cccc2c1O[C@H](c1cccs1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 13036382 LGTCWJSYPZONER-WMZHIEFXSA-N 406.507 5.398 0 40 HKAB CC(=O)Nc1ccc2nc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)sc2c1 16321413 KSSCQUYXJIPYHY-XVNBXDOJSA-N 406.294 5.213 0 40 HKAB Cc1ccc(S[C@@H]2CSc3nc(=O)c4ccccc4n3[C@@H]2c2ccccc2)cc1 16779197 YQXXHWROHMBPHM-FGZHOGPDSA-N 416.571 5.561 0 40 HKAB COc1ccc([C@H]2SCC(=O)N2c2ccccc2Oc2ccccc2)cc1OC 17198445 IUABJYOAJDUYBJ-HSZRJFAPSA-N 407.491 5.275 0 40 HKAB Cc1ccc([C@H](Cc2ccsc2)NCc2ccc(Oc3ncccn3)cc2)nc1 19215494 MBKVNMILMTXAIX-QFIPXVFZSA-N 402.523 5.107 0 40 HKAB CC(C)c1ccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CC2)cc1 19453276 KGMJDOJQEIYTKT-HJOGWXRNSA-N 408.611 5.098 0 40 HKAB Cc1c(C(=O)NC[C@H](c2cccs2)N2CCCCC2)oc2ccc(Cl)cc12 27664683 HKNBFAGTYLEOJF-QGZVFWFLSA-N 402.947 5.413 0 40 HKAB Oc1[nH]c(=S)nc2c1[C@H](c1ccccc1C(F)(F)F)C=C(c1ccccc1)N2 28466193 VKIWQBCQPKYTOW-ZDUSSCGKSA-N 401.413 5.462 0 40 HKAB Cc1c(-c2cccc(Cl)c2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccccc1Cl 32106559 SPUMZPOMDRYNLM-INIZCTEOSA-N 415.280 5.337 0 40 HKAB Cc1ccccc1OCC(=O)Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 32623210 YTPVCTVCBLFAPZ-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB O=C(Nc1cccc(F)c1)N(CCc1nc2ccccc2[nH]1)Cc1ccc(F)cc1 35314007 HDFAYIUJIJZOJA-UHFFFAOYSA-N 406.436 5.118 0 40 HKAB O=C(C1CCN(Cc2ccc(F)cc2)CC1)N(Cc1ccccc1)Cc1ccccc1 39767345 JRZYLEUIPIBHMD-UHFFFAOYSA-N 416.540 5.267 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C)c1Cl 40913267 MPXJAHUCZNITDO-LLVKDONJSA-N 406.231 6.035 0 40 HKAB Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 44933479 JVMXBSDBIANLDI-INIZCTEOSA-N 405.369 5.391 0 40 HKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(Cc1ccccc1)CO3 58088552 MAVMYBFYODFXCL-UHFFFAOYSA-N 411.501 5.353 0 40 HKAB biogenic C[C@H](c1ccccc1F)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 59337691 VITKJSFRTFDYFU-CYBMUJFWSA-N 406.383 5.255 0 40 HKAB CSc1nc2ccc3nc(Nc4nc5cc(C)cc(C)c5s4)sc3c2s1 62017512 MQYVDTVNKZKCNK-UHFFFAOYSA-N 414.606 6.598 0 40 HKAB CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@H]21 65739682 BIYWBTKPNWCYHM-RLSQPJRHSA-N 400.559 5.391 0 40 HKAB in-vitro COc1cccc(-c2noc(-c3cn(-c4ccc(C)c(C)c4)c(=O)c4ccccc34)n2)c1 67245281 QYUQKNCIZRJKDH-UHFFFAOYSA-N 423.472 5.333 0 40 HKAB Fc1cc(F)cc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)c1 67261476 GHGASDXNSPOGKN-UHFFFAOYSA-N 421.838 5.488 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C1(c2ccc(F)cc2)CCCC1 69713635 ZLPNSMITPOQOPG-UHFFFAOYSA-N 405.517 5.099 0 40 HKAB CN1c2ccccc2C(=O)N(Cc2ccco2)[C@H]1c1ccc(CSC(F)F)o1 71802038 ZBQYBUBHZYZWCJ-SFHVURJKSA-N 404.438 5.119 0 40 HKAB COc1cccc(Nc2ccc3c([C@H]4CCCN4Cc4ccc(C)cc4)nnn3c2)c1 96267962 JRWNGXYBDBDDLW-HSZRJFAPSA-N 413.525 5.127 0 40 HKAB CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@@H]1c1ccccc1 100429292 WKLOLQJVZKVBMU-KMRXNPHXSA-N 422.528 6.647 0 40 HKAB COc1ccc([C@@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc1OC 102863024 ZYGBQPSPIDFEHL-DEOSSOPVSA-N 406.526 6.192 0 40 HKAB CC(C)CC(CC(C)C)C(=O)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)C(CC(C)C)CC(C)C 104156911 VKJGXDCZAZVSBQ-NEWJYFPISA-N 406.651 6.335 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 106733793 SDSZJARSKWQJGO-GJUHEBOISA-N 419.905 5.893 0 40 HKAB Cc1ccc(S(=O)(=O)[C@@H]2C(C)(C)[C@@]2(Sc2ccccc2)[Si](C)(C)C)cc1 195759541 QVDHHDKFQGJMOJ-CTNGQTDRSA-N 404.673 5.586 0 40 HKAB C[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(C(C)(C)C)cc1 218989250 LBFYUFPDQJPTET-GOSISDBHSA-N 421.968 6.708 0 40 HKAB O=C(NCCCc1ccccc1Cl)c1ccc(OCc2ccccc2Cl)cc1 218989320 KXQATEJOVWNSFF-UHFFFAOYSA-N 414.332 5.935 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](c1ccccc1)c1ccccc1C 223073381 VTJWBTKPWIPABN-SVBPBHIXSA-N 413.561 5.937 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(OC)c(Cl)cc1OC 223466900 XKUYQVZZZDFZJX-LJQANCHMSA-N 403.906 5.032 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccccc1Cl 224133824 HQSNTTNLIMKFAY-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 224253103 LOCSQGZUUDSFRQ-LJQANCHMSA-N 419.506 5.163 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1c1ccc(Cl)cc1 224480256 HVJUWGGGGULFBU-VXKWHMMOSA-N 422.985 5.829 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccccc1C(C)C 224566813 CJDDINKIJYEXMG-UHFFFAOYSA-N 419.521 6.049 0 40 HKAB Cc1ccc([C@@H](NC(=O)CSCc2ccc(Cl)cc2F)c2ccccc2)cc1 224654792 POHNIARTMFXVFB-QHCPKHFHSA-N 413.945 5.927 0 40 HKAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1CSc1ccc(C)cc1 224666859 XHEIMALYAGQFTQ-UHFFFAOYSA-N 417.574 5.885 0 40 HKAB CC(C)Oc1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)cc1 225369344 UVHBPCZAQVNQLE-UHFFFAOYSA-N 412.983 5.486 0 40 HKAB Cc1ccc([C@@H](NC(=S)Nc2cccc(Br)c2)c2ccccc2)cc1 225508624 VAJHEMYABBHWQL-FQEVSTJZSA-N 411.368 5.834 0 40 HKAB C[C@@H](O)c1ccc(C2(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CCCC2)s1 225682056 YDWJWCNPBQTNLY-OAHLLOKOSA-N 421.990 5.240 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCCC2)ccc1OCC 225758581 ATCMIQDQAPAMHH-UHFFFAOYSA-N 409.526 5.411 0 40 HKAB CC[C@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc(OC)c(C)c1 225844978 YUKYKGDBPWKYGZ-SFHVURJKSA-N 412.382 5.811 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ncccc34)CCOCC2)c1 225873525 OGWYQGXMLLPLHO-UHFFFAOYSA-N 418.537 5.265 0 40 HKAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 408615737 RONZBLSEXIDYNR-UHFFFAOYSA-N 416.521 5.175 0 40 HKAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)c1 408640492 IYMMCBCZUZSFIE-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 408994663 IJUNNVMAHVBRTQ-COPCDDAFSA-N 410.300 6.163 0 40 HKAB O=C1S[C@H](Cc2ccccc2OCc2ccccc2)C(=O)N1Cc1ccccc1 409149662 MOYYIXGUYPFHPV-JOCHJYFZSA-N 403.503 5.072 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)o2)c1C 409166548 FFVCYQJNKKVCBG-UHFFFAOYSA-N 411.527 5.120 0 40 HKAB COc1ccc(OC(C)C)c(-c2ccc(C(=O)O)c(CCc3ccc(C)cc3)n2)c1 585265915 USNYSLHWKQQHGW-UHFFFAOYSA-N 405.494 5.336 0 40 HKAB C[N+]1=C(/C=C/C=C2\C=C(C(C)(C)C)C=C(C(C)(C)C)S2)C(C)(C)c2ccccc21 685944387 GRFIAZRXQARMLN-GEEUODSKSA-N 406.659 7.782 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@@H](C=Cc1ccccc1)C(=O)c1ccccc1 2049241051 SQYUSQQNCYCPRO-GATIMQMVSA-N 404.550 6.203 0 40 HKAB Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2ccco2)Nc2ccccc2-3)cc1 684656 ZXHNZTIHWIJZJZ-FQEVSTJZSA-N 402.479 5.235 0 40 HKAB CCOc1ccc2cc([C@@H]3CC(c4ccc(C)cc4)=NN3C(C)=O)c(Cl)nc2c1 710141 PJUCDLPDUGTYOY-QFIPXVFZSA-N 407.901 5.293 0 40 HKAB O=C(CSc1ccc(-c2ccccc2F)nn1)Nc1cccc(C(F)(F)F)c1 1332256 CKFJYOCTIHKZSE-UHFFFAOYSA-N 407.392 5.032 0 40 HKAB CCOc1ccccc1-c1csc(NC(=O)c2ccccc2Br)n1 1791069 CEEYAIUKCCHMAO-UHFFFAOYSA-N 403.301 5.224 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCc1ccccc1-3 1825227 QQELMZIDWBBDRP-UHFFFAOYSA-N 418.587 6.023 0 40 HKAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)Nc1cccc2ccccc12 1962079 LLVMTSCDGHQNLF-UHFFFAOYSA-N 421.452 5.631 0 40 HKAB CCCCCCc1cc2cc(-c3nnc(-c4cccc(Cl)c4)o3)c(=O)oc2cc1O 2063624 SXFDECITGNWXBY-UHFFFAOYSA-N 424.884 5.992 0 40 HKAB biogenic COc1cccc(-c2coc3c(C)c4oc(=O)c(Cc5ccccc5)c(C)c4cc23)c1 2146562 VKNSAKKMBZRJIS-UHFFFAOYSA-N 410.469 6.422 0 40 HKAB biogenic CC1=C[C@H](C)C(COC(=O)Nc2ccccc2)(COC(=O)Nc2ccccc2)[C@@H](C)C1 2288844 MFOHDHYQLDNSFR-PMACEKPBSA-N 422.525 6.092 0 40 HKAB COc1cccc(CC(=O)N(c2cccc(OC)c2)c2nc3ccccc3s2)c1 2630792 XCVSNEMPVZSMDL-UHFFFAOYSA-N 404.491 5.221 0 40 HKAB Cc1cccc(NCc2nnc(SCC(=O)c3ccccc3)n2-c2ccccc2)c1 2742604 JIDQNNIHILEMKC-UHFFFAOYSA-N 414.534 5.163 0 40 HKAB COP(=O)(OC)c1nc(-c2cccc3ccccc23)oc1NCCc1ccccc1 2908125 AJXFTMAKUHHKAD-UHFFFAOYSA-N 422.421 5.261 0 40 HKAB aggregator O=C(Cc1sc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(Cl)cc1 3047462 IJXIAMUFSODZNV-UHFFFAOYSA-N 404.922 6.312 0 40 HKAB aggregator CCn1c2ccccc2c2cc(NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc21 3200048 DRNJHGKTOXLABA-UHFFFAOYSA-N 404.513 6.663 0 40 HKAB O=C(Nc1nc2c(s1)CCCC2)c1cn(-c2ccccc2)nc1-c1ccccc1 3254849 YKDHYPHONVMNSA-UHFFFAOYSA-N 400.507 5.127 0 40 HKAB COc1ccc(NC(=O)COC(=O)c2sc3ccccc3c2Cl)cc1Cl 3317709 CVCGQZAVVUKHCY-UHFFFAOYSA-N 410.278 5.012 0 40 HKAB Clc1ccccc1[C@H]1C[C@@H](c2ccc(OCc3ccccc3)cc2)n2ncnc2N1 3642325 UPBNHTULMAMQOF-PKTZIBPZSA-N 416.912 5.657 0 40 HKAB C[C@@]1(C(=O)Nc2cccc(C(F)(F)F)c2)CC2c3ccccc3C1c1ccccc12 3663542 YECDSYADCMGVQV-UBVWURDFSA-N 407.435 6.331 0 40 HKAB CCCOc1ccc(-n2sc3c(c2=S)-c2cc(C)cc(C)c2NC3(C)C)cc1 4438344 NFEWKMQLPPYTSR-UHFFFAOYSA-N 410.608 7.002 0 40 HKAB Cc1ccc(-c2csc3ncn(CC(=O)c4ccccc4Cl)c(=O)c23)s1 5291294 MHDZKLYBKGJMIF-UHFFFAOYSA-N 400.912 5.031 0 40 HKAB Cc1c(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)oc2ccc(Cl)cc12 5739616 NHXMNGQPVZDOOD-UHFFFAOYSA-N 403.825 5.850 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)nc2c1 6449743 KEEKAGRTKOTZGT-HNNXBMFYSA-N 404.897 6.914 0 40 HKAB CSCC[C@H](NC(=O)Cc1coc2c(C)c(C)ccc12)c1nc2ccccc2[nH]1 6657664 YQASURSWIXROCQ-FQEVSTJZSA-N 407.539 5.079 0 40 HKAB O=C(NCc1nc(-c2ccccc2)no1)N1c2ccccc2Sc2ccccc21 6759682 NFQZLMQZUQYVDS-UHFFFAOYSA-N 400.463 5.249 0 40 HKAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 7653134 APIRBKFBKSKKMQ-RYUDHWBXSA-N 411.354 5.310 0 40 HKAB CCC[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 8133178 XQZSYNAUIXTOQK-FQEVSTJZSA-N 424.545 5.169 0 40 HKAB CC1CCN(c2ccc(NC(=O)c3ccccc3SC[C@H]3CCCO3)cc2)CC1 8156422 ZWGWAQRHCRXJRJ-OAQYLSRUSA-N 410.583 5.446 0 40 HKAB CCOc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)ccc1OCc1ccccc1 8254608 FYGAIERXFJJPPX-VLTVRWITSA-N 419.609 6.503 0 40 HKAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1cccc(Oc2ccccc2)c1 8279776 BABONQZRHKKCEP-UHFFFAOYSA-N 419.506 5.643 0 40 HKAB Clc1ccc(C2=NN(c3cccc(Br)c3)[C@H](c3cccs3)C2)cc1 8397970 QCRMXULNKKJGOY-SFHVURJKSA-N 417.759 6.520 0 40 HKAB O=c1c2ccccc2nc(/C=C\c2ccc(Br)cc2)n1-c1ccc(O)cc1 8431901 HSPSBEPVYJHTMA-AUWJEWJLSA-N 419.278 5.024 0 40 HKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 8768343 UOBZOJISXULDIF-UHFFFAOYSA-N 411.939 6.148 0 40 HKAB Cc1ccc(/C=C2\S[C@H](c3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1 8869943 GGHRTKJMZSNNRL-DLBLZJNESA-N 405.950 6.777 0 40 HKAB Cc1ccc(NC(=O)[C@@H]2CCCc3sc(NC(=O)c4ccccc4)nc32)cc1C 9072137 LRVGLARRGTWILU-GOSISDBHSA-N 405.523 5.071 0 40 HKAB C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1ccc2ccccc2c1 9254412 VBDBXOOJKKNWLQ-AWEZNQCLSA-N 423.588 5.936 0 40 HKAB Cc1cccc(NC(=O)Nc2nc(C(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)cs2)c1 9318433 HFJMDSFGUYPTQN-GOEBONIOSA-N 400.548 5.040 0 40 HKAB Cc1ccc(NC(=O)Nc2nnc(SCC(=O)c3ccc(Cl)cc3)s2)cc1 9323936 VMWCLADASVRWDZ-UHFFFAOYSA-N 418.931 5.119 0 40 HKAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1SCc1ccsc1 9379329 OBSXKEAFAXFUDB-UHFFFAOYSA-N 410.564 5.129 0 40 HKAB Cc1ccccc1CSc1ccc(-c2sc(-c3ccc(F)cc3)nc2C)nn1 9578199 FKNGSSVSACMHKH-UHFFFAOYSA-N 407.539 6.315 0 40 HKAB O=C(NCCSc1ccc(Cl)cc1)c1ccccc1SCc1ccccc1 10370016 QGXMYHZTUMBKOX-UHFFFAOYSA-N 413.995 6.154 0 40 HKAB CCCOc1ccccc1NC(=O)/C=C/c1cccc(OCc2csc(C)n2)c1 11240396 HDOJBMQHBJCGGT-VAWYXSNFSA-N 408.523 5.471 0 40 HKAB C[C@@H]1CC2=C(Nc3nnnn3[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 12529306 CVSAOCVTLYTXON-HPPIMMPGSA-N 424.335 5.762 0 40 HKAB COc1cccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)c1 12538619 GXFDYKIAQMTPNC-UHFFFAOYSA-N 417.534 5.360 0 40 HKAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)Nc1cccc(Cl)c1 12616560 OWNDYAWENDYBBY-UHFFFAOYSA-N 421.953 5.663 0 40 HKAB Cc1cc(NC(=O)c2ccc3c(c2)OCO3)cc(-c2nc3cc(Cl)ccc3o2)c1O 12651570 DTNUTXDRUVAHAI-UHFFFAOYSA-N 422.824 5.143 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)COc2cc(C)cc(C)c2)c2ccccc2)c1 12690046 ZHICQRLDWJSJRQ-VWLOTQADSA-N 417.505 5.222 0 40 HKAB Cc1cc(Br)cc(C)c1NC(=O)CSc1nc2ccc(Cl)cc2[nH]1 12851493 ILJYYNUSPJMWMQ-UHFFFAOYSA-N 424.751 5.326 0 40 HKAB CCc1nc(CSc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)cs1 12982081 SEWFLNDXSJDFTN-UHFFFAOYSA-N 403.529 5.102 0 40 HKAB CCc1nn2c(c1-c1ccc(OC)cc1)N=C(c1ccccc1)C[C@@H]2c1ccccn1 14607600 SHADWBMMCZPMAP-XMMPIXPASA-N 408.505 5.630 0 40 HKAB COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1cccc(C)c1 16349330 PTMLPFMYUJMHFJ-UHFFFAOYSA-N 400.522 5.396 0 40 HKAB Clc1ccc(COc2ccc(Cl)cc2CNC2CCCCCC2)c(Cl)c1 16384984 CIZMLGMBJKXXDT-UHFFFAOYSA-N 412.788 7.038 0 40 HKAB CCCCc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 17089771 MBOHTPKXAASVIE-ZRDIBKRKSA-N 414.332 7.248 0 40 HKAB CCN(CC)c1ccc(/N=c2\ssc3c2-c2cc(C)ccc2NC3(C)C)cc1 18009367 IQZFRIASOOYKOQ-GYHWCHFESA-N 409.624 6.524 0 40 HKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 20491816 YNDPPGZXRVSYTQ-HSZRJFAPSA-N 408.542 5.116 0 40 HKAB Cc1ccc([N+](=O)[O-])cc1-n1nc(-c2ccc(Cl)cc2)cc1-c1ccc(Cl)cc1 22027886 IQOHSXDAGPLEIY-UHFFFAOYSA-N 424.287 6.730 0 40 HKAB CC(C)(C)OC(=O)NCCOP(=O)(OCc1ccccc1)OCc1ccccc1 22052747 RVSMWJQWFJMFMT-UHFFFAOYSA-N 421.430 5.069 0 40 HKAB in-vitro COc1ccc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1OC 22514298 JGPOAUHTRQNNFM-HOTGVXAUSA-N 401.572 5.359 0 40 HKAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 25414396 KWKKKDFQDMOPAC-GOSISDBHSA-N 412.839 5.143 0 40 HKAB Cc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N3[C@@H](c4ccccc4)[C@H]23)cc1 25586393 HERMCSUPISYYCQ-UTTOWIBESA-N 403.323 5.685 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc2ccccc2nc1N1CCCC1 32642849 NZIAZHUUCJFEGY-UHFFFAOYSA-N 420.822 5.155 0 40 HKAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 32802903 RQMRHUPZMCKPDN-CHWSQXEVSA-N 423.460 5.477 0 40 HKAB Cc1nc(CSCC(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)cs1 32808619 YTEKSJVAEQGTKW-UHFFFAOYSA-N 414.581 5.237 0 40 HKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC(OCc2ccccc2)CC1 32902758 LRKLWHXPETYQFE-UHFFFAOYSA-N 424.928 5.135 0 40 HKAB CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccccc2NC(=O)c2cccs2)cc1 32907521 FJNUYOWECYATQM-UHFFFAOYSA-N 421.522 5.237 0 40 HKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 33572043 VEOZJDBUYNVZJU-YADARESESA-N 416.521 5.282 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1 35622995 RMZOPPJWJONNRP-UHFFFAOYSA-N 419.956 5.135 0 40 HKAB O=C(c1ccccc1)C1CCN(C(=O)CCCOc2cccc3ccccc23)CC1 40106486 PSBFJYMOQMHXRV-UHFFFAOYSA-N 401.506 5.120 0 40 HKAB O=C(O)c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 44199263 UFQKQGHDNJPDNX-UHFFFAOYSA-N 420.484 5.142 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2C)n1 46012686 ARPKBXNAXUVFQA-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccccc1NC(=O)Cc1nc(CN2CCCC[C@H]2Cc2ccccc2)cs1 72309148 DMGXXBZWCVIINN-QFIPXVFZSA-N 419.594 5.230 0 40 HKAB O=C(CCCc1ccccc1)N1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 72359158 WIPMSWXMBNJWGK-OAQYLSRUSA-N 403.501 5.012 0 40 HKAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@H](NC(=O)C2(c3cccs3)CCCC2)C1 77200215 URESBQXCFWSOGE-RBUKOAKNSA-N 412.555 5.236 0 40 HKAB Cc1nc(C(C)C)sc1C(=O)N1CCC(=O)N(Cc2ccccc2)c2ccccc21 78868992 QBUGECJDLGOYCO-UHFFFAOYSA-N 419.550 5.159 0 40 HKAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 95950235 OINJBNAZPKPZIQ-UHFFFAOYSA-N 419.896 6.074 0 40 HKAB Clc1ccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3ncnn32)c(Cl)c1 101077466 HAZULESECQWZEK-JOCHJYFZSA-N 419.315 6.308 0 40 HKAB Cc1cccc([C@@H]2N=C(Nc3nc4ccccc4s3)N=C3CC(C)(C)CC(O)=C32)c1 102669052 PLAYXYWHPULBDM-NRFANRHFSA-N 416.550 6.201 0 40 HKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 103413292 WSMHTPWMHYXJSS-WCAVRKLYSA-N 417.940 5.363 0 40 HKAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1OC 106687863 CXTAWPGYKNTBBG-SXGWCWSVSA-N 424.305 5.247 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)NCCSCc1cccc(Cl)c1 222683482 JYEBASGSSWXKSC-UHFFFAOYSA-N 414.423 5.915 0 40 HKAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222801198 OWEIMURTPBYQLS-OALUTQOASA-N 415.971 5.472 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc(C)cc2C)sc2c1CCCC2 222956516 WPRCZMAWKGFJRB-KRWDZBQOSA-N 415.555 5.217 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 223017759 HZAHBDZMQNKRPF-NRFANRHFSA-N 421.368 5.116 0 40 HKAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(Oc2ccccc2)nc1 223912181 GJBXOUCXOPSQOR-UHFFFAOYSA-N 401.491 5.621 0 40 HKAB COc1ccc(CNC(=S)Nc2ccc(Sc3ccc(Cl)cc3)nc2)cc1 223927518 LUJOJGBBRHIKQT-UHFFFAOYSA-N 415.971 5.381 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2C)c1 224278902 AJPCPCMFWUWWEB-UHFFFAOYSA-N 419.521 5.850 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1cc(C)cc(C)c1 224534222 WTAVLFYSBUTKKZ-UHFFFAOYSA-N 419.477 5.262 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COCc1ccccc1 224747470 JRQZOEIMAYXHOH-UHFFFAOYSA-N 409.913 6.016 0 40 HKAB COc1cccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)c1 225340402 OSVJVLICZZDWKZ-UHFFFAOYSA-N 401.384 5.222 0 40 HKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225703248 PTUWNONDOSOZEY-GBXCKJPGSA-N 404.595 5.254 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c2cccnc12 225861345 WEGQVVZLQXLGDL-UHFFFAOYSA-N 402.538 6.173 0 40 HKAB CCCCN(CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@@H](C)C3=C[C@@H]21 248330078 FGNDTNHMDIFKKW-ZQWZWNDSSA-N 418.666 5.183 0 40 HKAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257225182 FFFAXTOZORSASL-JOCHJYFZSA-N 417.896 5.444 0 40 HKAB CCCc1cc(C(=O)N2CCC[C@@H](c3cc(-c4cccc(OC)c4)cc(C)n3)C2)no1 257226175 FJLVDCFWLHCTRS-LJQANCHMSA-N 419.525 5.026 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCCN3CCCC[C@H]3C)cc2)CCCCC1 260812612 HRJQDEUSAHATLO-HXUWFJFHSA-N 402.579 5.008 0 40 HKAB Cc1cc(Br)ccc1NCc1cccc(OCc2ccccc2Cl)c1 408605483 HJGPANUVWRZPHH-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 408705783 NKYSPRPDRYTSFH-GFCCVEGCSA-N 418.773 5.464 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 408779915 NNOJYJXXPDFQTK-VWLOTQADSA-N 416.546 5.330 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408780114 SKWPGHDBTFYHKI-QHCPKHFHSA-N 422.937 5.367 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(CSc2ccccc2)cc1 408909414 HKNVZHKSPIXKDZ-UHFFFAOYSA-N 418.345 6.303 0 40 HKAB Cc1s/c(=N\C(=O)c2cccc(Br)c2)n(C)c1-c1ccc(Cl)cc1 409195693 KESCHFPMYANMPI-UZYVYHOESA-N 421.747 5.219 0 40 HKAB Cc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(Cl)cc3)n2C)cc1 409197747 NXKRXDFPFDBULT-LCUIJRPUSA-N 418.949 6.124 0 40 HKAB CCCN1C(=O)S/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)C1=O 409356943 OTNIHIOPKSMHOC-PXLXIMEGSA-N 403.503 5.865 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCc2ccc(C)cc2)cc1 409371373 WEBHFDJHMSIXHP-QFIPXVFZSA-N 420.534 5.342 0 40 HKAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@@H]1c1ccnc(-c2ccccc2)n1 2037835849 CAZFTMKVHXEILR-RUZDIDTESA-N 419.528 5.639 0 40 HKAB CC(C)(C)[C@H]1CCc2nc3sc(C(=O)Nc4ccc(Cl)cn4)c(N)c3cc2C1 691706 CFXPJRNSZFFEKJ-LBPRGKRZSA-N 414.962 5.330 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1358444 OWBJVHFMYCZJON-LBPRGKRZSA-N 422.838 5.647 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 1851168 PJFYOASKFYJNGY-UHFFFAOYSA-N 421.488 5.131 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 1909324 VFPXDTPKMPATGK-UHFFFAOYSA-N 421.924 6.020 0 40 HKAB Cc1ccc(C)c(Oc2coc3cc(OCCCc4ccccc4)ccc3c2=O)c1 1915239 LKUQASBTBBOTGF-UHFFFAOYSA-N 400.474 6.214 0 40 HKAB CCCCOc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)cc1 2064207 GNJLHOSEERCFET-UHFFFAOYSA-N 410.517 6.641 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCCC3)cc1 2083740 CRKAFBPJFMTFSW-SDNWHVSQSA-N 413.539 5.243 0 40 HKAB CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3c(C)n(C)c4ccccc34)c12 2146742 ZLXVCWDSTTVHCH-UHFFFAOYSA-N 417.505 5.506 0 40 HKAB biogenic O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1Cl 2318511 MFCIQKVNMNXIPO-UHFFFAOYSA-N 401.680 6.013 0 40 HKAB COc1ccc(-n2c(SCc3ccc(C)cc3)nnc2-c2cccc(C)c2)cc1 2454103 FEPGHLOABYXAAP-UHFFFAOYSA-N 401.535 5.852 0 40 HKAB Cc1cccc(CN(C(=O)Nc2cccc(Cl)c2)c2nnc3n2CCCCC3)c1 2684493 NRZVELZVWZYFJE-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB CCOc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 2714755 DQHYXSHLCWPYDZ-UHFFFAOYSA-N 424.479 6.369 0 40 HKAB CCOCCSc1nnc(-c2c(Cl)sc3ccccc23)n1-c1ccccc1 3230677 CPKOGRRWOTXUHL-UHFFFAOYSA-N 415.971 5.931 0 40 HKAB O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc(C(F)(F)F)ccc1Cl 3256968 YAEMMCUWPGRFDK-UHFFFAOYSA-N 403.731 5.178 0 40 HKAB Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)c1 4033536 OQRBWGHQXSZPJE-QFIPXVFZSA-N 409.533 5.416 0 40 HKAB CC[C@@H](C1=Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1)N1CCCCC1 4480475 SCFFJCMCBMMWBD-SANMLTNESA-N 410.561 6.303 0 40 HKAB CC1CCN(C(=S)c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 4550680 AWFJWWYXBGTCSQ-UHFFFAOYSA-N 408.350 5.620 0 40 HKAB CCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 4705261 LYAXIEIWUCHIOC-UHFFFAOYSA-N 409.555 5.796 0 40 HKAB Cc1ccc(N[C@@H]2C[C@@H](C)N(C(=O)c3ccc(Cl)cc3)c3ccc(C)cc32)cc1 4797993 IOWNGZFGTXBYQO-WZONZLPQSA-N 404.941 6.549 0 40 HKAB C[C@H]1C[C@H](C)CN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 4820266 CWVBPMKCELIABZ-MPGHIAIKSA-N 405.369 5.440 0 40 HKAB O=C(CSc1nc2cc(Cl)ccc2c2c1CCCC2)NCc1cccs1 4859076 OQXQBXBHPABRNB-UHFFFAOYSA-N 402.972 5.237 0 40 HKAB CCCCCCOc1ccc(S(=O)(=O)c2ccc(OCCCCCC)cc2)cc1 5244832 PHIWUSCSKXKGRA-UHFFFAOYSA-N 418.599 6.438 0 40 HKAB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)Nc1ccccc1 5467403 SMDWTAXHDOHSFV-UHFFFAOYSA-N 416.864 5.351 0 40 HKAB CCn1c(COc2ccc(C)cc2)nnc1SCc1cccc(C(F)(F)F)c1 5500643 BGSFNHXGSLCXAB-UHFFFAOYSA-N 407.461 5.497 0 40 HKAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc3cc(Cl)ccc3s2)c1C 5780557 STJDOJHHTMBVGH-SNVBAGLBSA-N 408.932 5.045 0 40 HKAB COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)c1 5869245 DOVXNTXGZVFYRF-HSZRJFAPSA-N 417.505 5.530 0 40 HKAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CCCC[C@H]2c2nc3ccccc3s2)cc1C 6541651 FIZPFMLFAHKMPA-RTBURBONSA-N 422.550 5.369 0 40 HKAB CC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Br)cc3)=NN12 6591515 UBCZMBMLIFIWAW-YOMPXFNTSA-N 411.343 5.899 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 6633742 VEHAIIWFQWZTST-NTCAYCPXSA-N 410.473 5.263 0 40 HKAB COc1ccccc1C(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(C)=O)c2ccccc21 6670407 YSXYKAJYZLYKNL-KOSHJBKYSA-N 414.505 5.228 0 40 HKAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)C12CC3CC(CC(C3)C1)C2 6753987 HLSXQPPRIUGHRK-UHFFFAOYSA-N 423.384 5.387 0 40 HKAB CCCc1nnc(S/C(=C\c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)O)[nH]1 7342284 PFVRQDHJXKWOJE-AQTBWJFISA-N 404.495 5.123 0 40 HKAB COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OCc1cccs1 7364495 HZZXHXJSLVJXOA-QFIPXVFZSA-N 406.507 5.065 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1ccc(Cl)cc1 7544576 NALZZBKUQAZNFN-LJQANCHMSA-N 415.924 5.453 0 40 HKAB CCOc1ccc(N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)cc1 8594424 YSCQNIWUMXQCMS-NRFANRHFSA-N 423.875 6.129 0 40 HKAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCC[C@H]1c1nc2ccccc2s1 9256453 RZMGMIRJMNSAGW-INIZCTEOSA-N 414.914 5.088 0 40 HKAB CCOC(=O)C1=C(C)N=C2C(=C(O)c3ccccc32)[C@@H]1c1ccc(C(F)(F)F)cc1 9358298 KYIIMDKNFPZXHP-GOSISDBHSA-N 413.395 5.412 0 40 HKAB COc1c(C)cccc1C(=O)NCc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 10120348 PPMDXXOVSILXLI-UHFFFAOYSA-N 400.478 5.359 0 40 HKAB O=C(Cc1csc(-c2cccc(Cl)c2)n1)Oc1ccc2oc3ccccc3c2c1 13095217 KACONWRLRSNRDS-UHFFFAOYSA-N 419.889 6.511 0 40 HKAB Cn1c(SCc2ccccc2Cl)nc2scc(-c3ccc(F)cc3)c2c1=O 13097538 MUCXGEVLOCSEJH-UHFFFAOYSA-N 416.930 5.747 0 40 HKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1c(F)cccc1Cl 14399912 DPCIXCHPYTYARH-HNNXBMFYSA-N 423.981 5.594 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCC(C)CC2)o1 15860495 ADESFOCSZURZTM-IBGZPJMESA-N 414.933 5.499 0 40 HKAB COc1cc(CN2CCCCC[C@H]2c2cc(-c3cccs3)on2)cc(OC)c1O 19549403 JTJWCIDTEGXZNP-KRWDZBQOSA-N 414.527 5.243 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1Cl 20036290 LBYXGWADBXLDGA-OAQYLSRUSA-N 411.885 5.466 0 40 HKAB CC(C)n1c(SCc2nc3ccccc3n2C(F)F)nc2ccccc2c1=O 25049664 FZYCSJTZLKEVMD-UHFFFAOYSA-N 400.454 5.015 0 40 HKAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl 28184219 NAOWUQJCYGNPLW-UHFFFAOYSA-N 417.745 5.266 0 40 HKAB CC(C)n1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1cc2ccccc2o1 28211381 WZQZMJLQGYEIDB-NVXWUHKLSA-N 412.559 5.059 0 40 HKAB COc1cccc2c1N(C(=O)c1cc(-c3ccc(C)s3)nc3onc(C)c13)CCC2 30574673 OORQEWPNSDYRHW-UHFFFAOYSA-N 419.506 5.170 0 40 HKAB CCOC(=O)c1c(NC(=O)C2=Cc3ccc(C)cc3OC=C2)sc2c1CC[C@@H](C)C2 33321294 HRLNEMWXZNFUSV-OAHLLOKOSA-N 423.534 5.286 0 40 HKAB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1cccc(Cl)c1N1CCCCC1 35351267 TUAWCALDDABVIG-CSKARUKUSA-N 420.296 5.544 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 44840452 XHGLJKIAFXYRSI-BJKOFHAPSA-N 405.538 5.909 0 40 HKAB C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 44912848 QMWXSOSOKCEUMB-YJBOKZPZSA-N 403.353 5.183 0 40 HKAB Cc1ccc(-n2nc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3c2=O)cc1 64949609 SQMMQSAGVBREIS-UHFFFAOYSA-N 414.852 5.065 0 40 HKAB Cc1nc(-c2cccc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)c2)n[nH]1 71945355 DHHSDAAHEMHUQC-NRFANRHFSA-N 400.507 5.252 0 40 HKAB O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)C1(c2cccs2)CCCC1 96119693 BQEGQUVSMARRDH-UHFFFAOYSA-N 419.506 5.432 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cccs4)C3=C(O)C2)cc1 100426339 RKNZMLRFXHXJEG-VOIUYBSRSA-N 402.519 6.386 0 40 HKAB Fc1ccc(COc2ccc(Cl)cc2CNc2ccc(Cl)c(Cl)c2)cc1 107039172 ZKCUTBHOKJUCGP-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5CC=CC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118918348 XGZQDBRFMPJPBO-XGYCBEGRSA-N 410.598 6.032 0 40 HKAB C[C@H](Oc1ccc(-c2nn(C)cc2-c2ccncc2)cc1)c1ccc2ccccc2n1 137120589 JYFZUNQQRAJGHS-SFHVURJKSA-N 406.489 5.837 0 40 HKAB Cc1ccccc1CSCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 143418681 LWDVWLDXQWEZKT-UHFFFAOYSA-N 405.607 6.335 0 40 HKAB Cc1ccccc1[C@H]1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CCS1 219268652 LHUCPHUFOOTVDP-OAQYLSRUSA-N 401.959 5.318 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 219390958 LNNXTXMPFRPQIE-SFHVURJKSA-N 415.946 5.228 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=O)CCc1cccc2ccccc12)c1ccccc1 222665944 SJZLKVFXAQDYSS-HXUWFJFHSA-N 422.528 5.902 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(COc3ccccc3)c2)cc1 224367274 ZBPJHGPHTMOUKH-UHFFFAOYSA-N 403.522 6.259 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1cc(C)cc(C)c1 224531714 WQEHLGWHMSDQTI-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB Cc1nccn1-c1ccccc1CNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225449810 AWTKLCQFORNFNM-UHFFFAOYSA-N 424.879 5.340 0 40 HKAB Cc1ccc([C@H](NC(=S)Nc2ccc(Br)cc2)c2ccccc2)cc1 225508742 KIQLIPXOBCZCCJ-HXUWFJFHSA-N 411.368 5.834 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(F)c(C)c2)cc1 225609501 UOZVGQNGVXNDHB-UHFFFAOYSA-N 421.877 5.389 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C(=O)OC 225758463 MENWKUFACWJYPB-IBGZPJMESA-N 423.553 5.800 0 40 HKAB COc1ccc(C2(NC(=S)Nc3ccc(OC)c4ncccc34)CCCC2)cc1 225877274 ILSLQZGKYVVXEQ-UHFFFAOYSA-N 407.539 5.008 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(-c3ccc(Br)c(C)c3)o2)c(N)c1 226348616 IDQYKUFGYZDYFP-UHFFFAOYSA-N 415.287 5.251 0 40 HKAB O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(Cl)cc1 245380202 UBCQNAYMIJJLRK-MBZVMHRFSA-N 401.293 5.009 0 40 HKAB O=S(=O)(Cc1ccc(C(F)(F)F)cc1)N[C@H](c1ccsc1)c1cccs1 390826619 NVTOPBCTABMNAH-MRXNPFEDSA-N 417.499 5.037 0 40 HKAB S=C(NCc1ccccc1)c1cccc(OCc2ccc(Cl)cc2Cl)c1 408571894 DDGOWGCPSJWYPG-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB O=C(Nc1ccc(Br)cc1F)c1ccc(-c2ccc(F)c(Cl)c2)o1 408621551 OOOTUFYAYGHFCP-UHFFFAOYSA-N 412.617 5.893 0 40 HKAB COc1ccccc1NC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(Cl)cc2)n1 408699973 XXHLSBBQVCIEGR-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(F)cc2)c(C)c1 408700182 ZGWBYMHAXRMBJI-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB S=C(c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)N1CCOCC1 408739717 DWWNDFWUFIGBHT-UHFFFAOYSA-N 424.569 5.819 0 40 HKAB CCCCSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)c(OC)c2)N1 408989044 JMEFPOFTEVBBQT-JOCHJYFZSA-N 423.582 5.450 0 40 HKAB Cc1ccc(C)c(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1 409116901 MOXKRDGLCGUUDE-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 2037845543 AMUUUQPRFQSRGS-NRFANRHFSA-N 423.875 5.517 0 40 HKAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccc(Cl)cc1 648290 AHLGIBSRVVQYDK-UHFFFAOYSA-N 422.941 5.502 0 40 HKAB Nc1c(C(=O)c2cccs2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 817985 SDYBBTVGNPRTKM-UHFFFAOYSA-N 410.467 5.918 0 40 HKAB CC1=CC(C)(C)N(S(=O)(=O)c2ccc(C)cc2)c2ccc(Br)cc21 835912 PTKLWDHHGYHCJB-UHFFFAOYSA-N 406.345 5.148 0 40 HKAB Cc1nc(C)c(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)s1 860522 AUDQZTBJYQVGIF-UHFFFAOYSA-N 408.346 5.207 0 40 HKAB COc1ccc(C(=O)C[C@@H](Sc2ccccc2N)c2ccc(OC)c(OC)c2)cc1 947101 NOXANQCYEKBZRH-XMMPIXPASA-N 423.534 5.401 0 40 HKAB O=C(O)c1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc4ccccc4c2)C3=O)cc1 1508571 HOADCMSWJIXZTF-UHFFFAOYSA-N 409.397 5.131 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(Br)cc3)n2N)cc1 2360938 OCXOMJMOXOJGJS-UHFFFAOYSA-N 417.376 5.011 0 40 HKAB COc1ccc(Oc2cncnc2-c2ccc(OCc3ccccc3F)cc2O)cc1 2423124 GXOCBOFQXZSRTD-UHFFFAOYSA-N 418.424 5.368 0 40 HKAB biogenic Cc1nn(-c2ccccc2)c2nc(-c3cccc4ccccc34)cc(C(F)(F)F)c12 2733897 DVYZNTINEPFSQY-UHFFFAOYSA-N 403.407 6.568 0 40 HKAB Cc1cccc(NC(=O)CSc2nc(C3CC3)nc3sc4c(c23)CCCC4)c1C 4217286 UHFGAFMEFMEEML-UHFFFAOYSA-N 423.607 5.795 0 40 HKAB COc1ccc(/C=C/C2=NN(c3ccc(F)cc3)[C@H](c3ccc(OC)cc3)C2)cc1 4422869 HVPVQZFSORQKMJ-DMKIBADUSA-N 402.469 5.864 0 40 HKAB COc1ccc(OC)c2c1[C@]1(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C1(Cl)Cl 4543124 XEOCQPURFNDYLT-TXEJJXNPSA-N 408.923 5.462 0 40 HKAB Cc1ccc(NC(=O)CCC(=O)n2nc(-c3ccccc3)cc2-c2ccccc2)cc1C 4592085 RJFNZJDPCAOGSC-UHFFFAOYSA-N 423.516 5.893 0 40 HKAB O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 4677346 WVTKERJKDMYADC-OPYZQMCBSA-N 406.869 5.963 0 40 HKAB Clc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 4693675 ACQOTEUWJIFECV-RDPSFJRHSA-N 418.880 5.354 0 40 HKAB O[C@H](c1ccc(F)cc1)c1nc2ccccc2n1Cc1ccccc1Br 4726052 LGWYTOXHXONJKG-HXUWFJFHSA-N 411.274 5.068 0 40 HKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C12CC3CC(CC(C3)C1)C2 4746830 FEXPVMZQTIFPAW-UHFFFAOYSA-N 414.574 6.632 0 40 HKAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)cc2)n2c(nc3ccccc32)N1 4767865 WBIJTHWWLNLYLY-JOCHJYFZSA-N 421.928 5.855 0 40 HKAB CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4811469 RFFLSYKZNDQANK-BDYUSTAISA-N 412.533 6.498 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)sc2c1 4917571 CCVVQYAAYMAYMI-UHFFFAOYSA-N 404.240 6.788 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1cc2sccc2n1Cc1ccccc1 4970956 QFBQGSJTGUBACK-UHFFFAOYSA-N 411.324 5.766 0 40 HKAB CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 5092438 LWRBYPZAAZEDAP-SANMLTNESA-N 423.560 5.709 0 40 HKAB CCC(=O)N(CC[C@@]1(c2ccccc2OC)CCO[C@H](C(C)C)C1)Cc1ccco1 5397228 YZCSNBFIOQJCHS-UKILVPOCSA-N 413.558 5.190 0 40 HKAB Cc1ccc(-c2nc(C(=O)NCCC3=CCCCC3)cc3c2[nH]c2ccccc23)cc1 6173654 HSNXEMNNALKXIN-UHFFFAOYSA-N 409.533 6.312 0 40 HKAB biogenic CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)CCSc1ccc(Cl)cc1 6523101 CGVSDUKLIGPYSR-AYOQOUSVSA-N 412.979 5.369 0 40 HKAB O=P(Oc1ccccc1)(Oc1ccccc1)[C@H](Nc1ccccc1)c1cccnc1 6581394 JBWCVAQQCCCQJE-DEOSSOPVSA-N 416.417 6.543 0 40 HKAB COc1cccc(CNC(C)(C)CC(C)(C)C)c1OCc1ccc(Cl)cc1Cl 6857428 BFWJXNSVQDLSKZ-UHFFFAOYSA-N 424.412 6.885 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2nc3cc(Cl)c(OC)cc3s2)cc1 7073168 SGZALUVJTMPMHZ-GFCCVEGCSA-N 404.919 5.489 0 40 HKAB Brc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1 7504098 HARXJJAEYBPUDY-LJQANCHMSA-N 406.283 5.701 0 40 HKAB COCc1c(C(=O)Oc2ccc3oc4ccccc4c3c2)sc2cccc(F)c12 7783957 LZHVYRCKVKZJPK-UHFFFAOYSA-N 406.434 6.305 0 40 HKAB Cc1ccc2c(CC(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)coc2c1C 8209810 IUZHVOJKFRZZEI-UHFFFAOYSA-N 414.509 5.216 0 40 HKAB O=c1c(Cl)c(NCc2ccc(F)cc2Cl)cnn1C12CC3CC(CC(C3)C1)C2 8682881 UUHJVMAMHRVLAD-UHFFFAOYSA-N 422.331 5.227 0 40 HKAB COc1ccc(CN(Cc2ccco2)C(=O)COc2cc(C)c(Cl)c(C)c2)cc1 9204934 QGTDKHNAALRGSI-UHFFFAOYSA-N 413.901 5.166 0 40 HKAB CC(C)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)C2CCCCC2)cc1 9288863 QKYTVNJTUFQPKV-UHFFFAOYSA-N 403.530 5.296 0 40 HKAB COc1ccc(C2=Nc3c(-c4ccccc4)c(C)nn3[C@@H](c3cccnc3)C2)cc1OC 9625944 RRNNYNCFODCPSC-JOCHJYFZSA-N 424.504 5.385 0 40 HKAB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3cc(Cl)ccc3Cl)CC2)cc1 9985430 SVXNXQCBQUGTOC-RUDMXATFSA-N 418.320 5.137 0 40 HKAB CC(C)c1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 11914907 BUIQQMSVJNQMER-QGZVFWFLSA-N 400.478 6.024 0 40 HKAB C[C@H](NC(=O)CSCc1ccccc1Br)c1ccc(C(C)(C)C)cc1 13675059 UCNQJVMDPWQTBE-HNNXBMFYSA-N 420.416 5.857 0 40 HKAB C[C@@H]1CC2(CCCCC2)N2C(=O)[C@]3(NCCc4c3[nH]c3ccccc43)c3cccc1c32 14162423 QGTXVWQWWVHIBP-CRYYWNKWSA-N 411.549 5.114 0 40 HKAB O=C(c1ccc(Cl)s1)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 15881813 SUUOULGPESURKW-UHFFFAOYSA-N 421.881 5.531 0 40 HKAB COc1ccc2ncc3c(-c4ccccc4)c(C(=O)NC[C@H]4CCCO4)sc3c2c1 16846860 YCQIVZLVXPQUFI-QGZVFWFLSA-N 418.518 5.034 0 40 HKAB COc1cc(NC(=S)Nc2ccc(Nc3ccccc3)cc2)cc(OC)c1OC 17088290 YADRLRVTGBIYGH-UHFFFAOYSA-N 409.511 5.265 0 40 HKAB COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 17091003 NNZRSIJYTNXVNL-OAHLLOKOSA-N 417.347 5.397 0 40 HKAB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc2ccccc2c1 17093141 OVFGPDHBDRMDJW-UHFFFAOYSA-N 422.513 5.510 0 40 HKAB CCN(C(=O)[C@H](C)c1ccccc1)[C@H]1CCO[C@@H](c2ccc(-c3cncnc3)cc2)C1 19712021 DZHSTIYKCLNBBY-BTZRARBUSA-N 415.537 5.016 0 40 HKAB Cc1ccccc1[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 19931786 SFDQFCCORMHADG-HXUWFJFHSA-N 406.334 5.370 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 20412119 KFCYAZIHPCIIKE-UHFFFAOYSA-N 422.308 5.744 0 40 HKAB COc1cc(CNCCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F 22074569 FMHHJAFSXFWBDJ-UHFFFAOYSA-N 417.883 5.538 0 40 HKAB CCOc1ccc(-c2cc3c(SCc4cccc(C)c4)nccn3n2)cc1Cl 23126600 VNYFTBGUPZBNBS-UHFFFAOYSA-N 409.942 6.049 0 40 HKAB Cc1ccc(-c2cc(C(=O)N(C)c3nc4ccccc4s3)c3c(C)noc3n2)s1 26967892 BOASXFUVPNHYGA-UHFFFAOYSA-N 420.519 5.454 0 40 HKAB O=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1ccccc1Br 32622094 ZHRDAXKBCJDXIN-UHFFFAOYSA-N 420.266 5.418 0 40 HKAB CCCCc1ccc(N2C(=O)/C(=C\c3c(F)cccc3Cl)SC2=S)cc1 35041564 XTPWISYJAAWEEY-LDADJPATSA-N 405.947 6.228 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1)c1ccc(F)cc1 35671748 ZHFWHEDEWLRWDS-UHFFFAOYSA-N 417.465 5.454 0 40 HKAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccc(C(F)(F)F)nc2)n1 36664507 IJDUGXSRBDLTIS-UHFFFAOYSA-N 402.401 5.266 0 40 HKAB O=C([C@H]1CCCN(Cc2ccccc2Cl)C1)N1CCC(Cc2ccccc2)CC1 38850859 YEVVJHPXJRCLNJ-QHCPKHFHSA-N 410.989 5.033 0 40 HKAB CCc1nn2c(ncc3c(=O)n([C@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccccc1 40387866 HARLZKCNLRHXDY-FIKGOQFSSA-N 400.526 5.271 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Br)c(Cl)c1 44904501 LBEZGACRVIEBMH-SFHVURJKSA-N 418.718 6.052 0 40 HKAB COc1ccc(NC(=O)N[C@@H](c2cccs2)C(C)(C)C)cc1N1CCCCC1=O 48231369 TYOWYGKADNROCW-FQEVSTJZSA-N 415.559 5.183 0 40 HKAB C[C@H](NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 48310068 RMENKGVBZQTNFU-AOOOYVTPSA-N 406.140 6.422 0 40 HKAB O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1cccc(-c2ccsc2)c1 58313953 MEARKMYZZBABAJ-GOSISDBHSA-N 414.939 5.510 0 40 HKAB Cc1ccccc1OCCCSc1nc2ccccc2c(=O)n1-c1ccccc1 59109462 YZJKIGCUXYTDSU-UHFFFAOYSA-N 402.519 5.255 0 40 HKAB COc1ccc(/C=C2\SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1 59372158 WLLGRZBTZJIFRK-PXNMLYILSA-N 409.294 5.108 0 40 HKAB CC(C)CN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 72215644 SZGAZVURCJZWAN-OAQYLSRUSA-N 401.595 5.949 0 40 HKAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1cccnc1Sc1ccccc1 72217692 OGHOFXUDRHAPJA-QFIPXVFZSA-N 404.535 6.097 0 40 HKAB C[C@H]1CCCCN1c1cc(NC(=O)c2ccc(Br)cc2)c(Cl)cc1N 72229322 HWRYSZPVUJYXKQ-LBPRGKRZSA-N 422.754 5.316 0 40 HKAB O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cnc(-c2ccccc2F)s1 95373560 QBKAITBWEBODLW-UHFFFAOYSA-N 423.513 5.218 0 40 HKAB Cc1cc(Br)cc(C)c1N(CC(F)F)C(=O)c1ccc(C(C)C)nc1 96011152 MMNPRIOJRUNZIU-UHFFFAOYSA-N 411.290 5.496 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Oc2cccc3ccccc23)cc1 102077967 SPTVJIIIABZJFG-IRXCLELFSA-N 407.469 5.190 0 40 HKAB CCCc1cc(-c2cccc3ccccc23)c(CCC)c2c1-c1cccc3cccc-2c13 104212836 FQVHXERPFHMCKQ-UHFFFAOYSA-N 412.576 9.212 0 40 HKAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1[C@@H]3C[C@H](c4ccccc43)[C@H]12 104282753 WKKQGHSXCFJKSR-POKDXMDSSA-N 406.136 5.164 0 40 HKAB CC1CCN(C(=S)c2cc(Br)ccc2OCc2ccccc2F)CC1 108090882 KVLZASPHQIYXEX-UHFFFAOYSA-N 422.363 5.575 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(Cl)c(C(F)(F)F)c1 222569825 ZQOGEDKWRSSWIR-UHFFFAOYSA-N 412.235 6.023 0 40 HKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1 223792718 KGQQSSCYOWBXDT-YADHBBJMSA-N 420.582 5.214 0 40 HKAB CSc1ncc(-c2nnsc2C(=O)OC2CCCCCCCCCCC2)cn1 223854528 UGCSATVMNLUJCW-UHFFFAOYSA-N 420.604 5.547 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2)cc1 224899265 HGKQPNAKSUPPFL-UHFFFAOYSA-N 402.563 6.140 0 40 HKAB COc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C 225557462 ACECJCFDUPSPEP-UHFFFAOYSA-N 406.353 6.459 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2ccccc12 225685838 RUWMUKJQQXBFOR-SFHVURJKSA-N 421.968 7.121 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c1 225810673 REKDFMCNVLSLRA-UHFFFAOYSA-N 420.937 5.064 0 40 HKAB CCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C 225870884 CHAOVHZDXFBEOS-UHFFFAOYSA-N 407.341 5.936 0 40 HKAB COC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 226336423 APGQCTOKDLGWEW-ZZXKWVIFSA-N 401.673 5.421 0 40 HKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)/C(=C\c3ccccc3Cl)C[C@H]12 253497883 YMHMUKZSUKEOTI-DPPKPNFISA-N 415.017 6.098 0 40 HKAB biogenic Cc1nn2c(nnc3c(=O)n([C@@H]4CCC[C@@H](C)[C@H]4C)ccc32)c1-c1ccc(Cl)cc1 253566594 JDADACFPPUPSLB-HBUWYVDXSA-N 421.932 5.065 0 40 HKAB Fc1ccc(COc2cccc(C(=S)N3CCN(c4ccc(F)cc4)CC3)c2)cc1 408578204 WTFGNRXKYFNVKQ-UHFFFAOYSA-N 424.516 5.042 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)c(C)c1 408696247 YOXMHDLLEPUTJC-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3F)nc2-c2cccc(Cl)c2)c1 408697771 JGPSNOYEKSQVIA-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(CSc3ccccc3)cc2)c1 408920416 GZICLWJDMGKNNF-UHFFFAOYSA-N 407.604 6.468 0 40 HKAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1 409001747 JZEIKROKUOGSIT-YADARESESA-N 416.521 5.633 0 40 HKAB CCOc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 409108045 URLGTQSPOGQHNJ-UHFFFAOYSA-N 421.953 6.279 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)cc3)c3ccccc3n2)cc1C 409178513 JCMHUTJXCDBNKB-UHFFFAOYSA-N 413.448 5.697 0 40 HKAB Cc1cc(C(=O)N2N=C3CC[C@H](C(C)(C)C)C[C@H]3[C@]2(O)C(F)(F)F)ccc1Cl 409181845 FWDQYUPAZGEPHW-KSMMKXTCSA-N 416.871 5.174 0 40 HKAB CCOc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1 409197630 KSWRYUUPAMTPTM-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB CC(C)(C)OC(=O)N(Cc1nc(Cl)ccc1Br)C(=O)OC(C)(C)C 1903938634 WNTXDHRRMLKDLD-UHFFFAOYSA-N 421.719 5.170 0 40 HKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)Nc1ccc2c(c1)OCO2 648461 HAMBLISWENCGSL-UHFFFAOYSA-N 416.864 5.845 0 40 HKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(OC)cc1 709088 KDFBLAQARBZQSC-UHFFFAOYSA-N 415.898 5.506 0 40 HKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccc(Cl)cc1 860540 BCRPBCYEIGTDED-UHFFFAOYSA-N 420.921 6.393 0 40 HKAB COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1 875935 DFFFWMVLVPIVFJ-UHFFFAOYSA-N 412.511 5.026 0 40 HKAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccc(Br)o1 885915 DTCZGHIWBCBMDU-UHFFFAOYSA-N 410.223 5.068 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccc(F)cc4)ncnc32)cc1 1447655 UGPUEDWXURAFJK-UHFFFAOYSA-N 424.479 5.847 0 40 HKAB CC(C)=C[C@@H]1[C@H](C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)C1(C)C 1664938 RSZXHSOZHNQRLF-HTQZYQBOSA-N 416.559 7.097 0 40 HKAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1cccc(OCc2ccccc2)c1 2079872 MJSUUNQCFISTLU-CIAFOILYSA-N 424.283 5.917 0 40 HKAB C[C@H]1CCCc2sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c3c21 2293744 PQPXCJRUEJAPGU-INIZCTEOSA-N 418.587 6.179 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(SCc2ccccc2Cl)s1 2345710 FNXLEVXGSMDULG-UHFFFAOYSA-N 411.339 5.781 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@@H]2C)cc1 2624014 YDLLRQNQVBCBQU-PXNSSMCTSA-N 421.570 5.131 0 40 HKAB CC(C)(C)c1ccc(COc2ccsc2C(=O)Nc2ccc(F)cc2F)cc1 3134824 LPNRWDUZRQLBKU-UHFFFAOYSA-N 401.478 6.155 0 40 HKAB CCCCc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=N[C@@H](CC)CS2)cc1 3227236 LGULBFYVPFXVGE-SFHVURJKSA-N 415.990 6.603 0 40 HKAB COc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc(C(C)C)cc3C(C)C)o2)cc1 3285452 TZJOORDIWTWVNN-MRXNPFEDSA-N 424.566 6.356 0 40 HKAB COc1cccc(/C=C(/C(=O)OCC(=O)c2ccc(Cl)s2)c2ccccc2)c1 3400516 VGZDXELEABEPAM-QGOAFFKASA-N 412.894 5.377 0 40 HKAB Clc1ccc(CSc2nnc(-c3cccnc3)n2CCc2ccccc2)cc1 4163614 MRRYPQZWAQUFNA-UHFFFAOYSA-N 406.942 5.529 0 40 HKAB O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@H]21)c1ccc(Cl)cc1 4181044 XEGWPHFMPASJSA-DGQTTZFYSA-N 406.957 6.193 0 40 HKAB N=C1NC(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)S1 4498309 DMBNMBRBKVBWLE-IUXPMGMMSA-N 402.306 5.135 0 40 HKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)cc1 4659852 FIAKGAHVFOEXLA-SFHVURJKSA-N 418.512 6.019 0 40 HKAB CC(C)(C)c1ccc([C@H](CC(=O)O)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 4689751 HKHUCUIQFSXRHZ-QHCPKHFHSA-N 401.506 5.597 0 40 HKAB C[C@H](CCC(=O)c1ccccc1)[C@@H]1CC[C@H]2[C@H]3CC[C@H](CCO)C[C@@H]3C[C@@H](O)[C@@]21C 4758467 XABOCDPPAPNLAE-FAXVDJDWSA-N 412.614 5.498 0 40 HKAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc(COc2ccccc2)nc2ccccc12 4936874 YWAZTTWQCPLFGQ-QZTJIDSGSA-N 421.566 5.090 0 40 HKAB Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(F)c4)cc2-3)OCO5)cc1 5028596 JMGXSUOVVDBWLQ-UHFFFAOYSA-N 411.436 5.428 0 40 HKAB CC(C)CC(O)(CC(C)C)[C@@H](CCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 5049426 CFAGIIUJUBRYDZ-QHCPKHFHSA-N 424.585 5.484 0 40 HKAB CCOc1ccc(-c2nnc3n2N=C(c2ccc(-c4ccccc4)cc2)CS3)cc1 5100174 NBCYSRXFKAZISA-UHFFFAOYSA-N 412.518 5.369 0 40 HKAB Cc1ccc(SCCNC(=O)c2ccccc2Nc2ccc3ccccc3c2)cc1 5588038 XQMIHAZDSFACCQ-UHFFFAOYSA-N 412.558 6.414 0 40 HKAB C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)[C@@H]1C 5944131 ADILOWWLRFRUNW-ZOCZFRKYSA-N 423.557 5.469 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccc4ccccc4c3)c3ccccc3n2)cc1 6084159 YFZXJLOZSLSSIV-UHFFFAOYSA-N 404.469 6.316 0 40 HKAB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cccc(Cl)c1 6307894 YRUARSJVKNOWDD-DHDCSXOGSA-N 406.240 5.010 0 40 HKAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1 6477066 LMKMFOROJBHIMD-UHFFFAOYSA-N 408.457 5.974 0 40 HKAB CCn1c(SCC(=O)c2cc(C)n(CCC3=CCCCC3)c2C)nnc1C1CC1 7618308 FVFUNXRYBBXCKQ-UHFFFAOYSA-N 412.603 5.459 0 40 HKAB COc1cc(CNc2ccccc2C(=O)Nc2ccc(C)cc2)ccc1OC(F)F 8427876 SREXCAJMPRYVGM-UHFFFAOYSA-N 412.436 5.469 0 40 HKAB COc1cc(CNCc2cccs2)cc(Cl)c1OCc1ccc(Cl)cc1 8470211 GXPQCVWTRKEISA-UHFFFAOYSA-N 408.350 5.932 0 40 HKAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)N1c2ccccc2CCc2ccccc21 9191548 CHMBGHCGGUYXEA-UHFFFAOYSA-N 419.937 5.772 0 40 HKAB Cc1ccc(-n2ncc3c2ncn2nc(Cc4cccc5ccccc45)nc32)cc1Cl 9216148 PFJDBWYXIBGWLO-UHFFFAOYSA-N 424.895 5.169 0 40 HKAB CCc1ccc(-c2nc(C)c(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)s2)cc1 10541113 NQAZRBWEWJGVHW-UHFFFAOYSA-N 416.550 5.736 0 40 HKAB Cc1noc([C@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccco2)n1 12735103 WEACCKSVTGHIOC-AWEZNQCLSA-N 423.542 5.429 0 40 HKAB COc1ccc(NC(=O)CSCc2nc(-c3ccccc3)oc2C)cc1Cl 12928194 UZHXRLOQNUTZJF-UHFFFAOYSA-N 402.903 5.184 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(C(C)C)cc2)o1 13512229 QOIYWKCQFBKIPA-URXFXBBRSA-N 406.913 6.607 0 40 HKAB Cc1cc2oc(C(=O)Nc3nonc3-c3ccc(C(C)C)cc3)cc(=O)c2cc1Cl 13720456 HOCJAYHQPUMOHT-UHFFFAOYSA-N 423.856 5.181 0 40 HKAB CCCOc1ccccc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 14184200 WAJJEHIBHLGTDS-UHFFFAOYSA-N 403.404 5.241 0 40 HKAB O=C(Nc1nnc(SCc2ccccc2)s1)c1cc(F)c(Cl)cc1Cl 14634631 RYZQVSKPYLZBIT-UHFFFAOYSA-N 414.314 5.529 0 40 HKAB Cc1cccc(-c2cc(NC(=O)COc3ccc(Cl)cc3)n(-c3ccccc3)n2)c1 15821170 XFYISGLUOITQNU-UHFFFAOYSA-N 417.896 5.519 0 40 HKAB CC(C)N(C(=O)Cn1nc(C2CCCCC2)n(-n2cccc2)c1=S)c1ccccc1 16777984 YSHBIXPZLNJYQH-UHFFFAOYSA-N 423.586 5.016 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1 17091821 BBOFCZVOPPGVNK-UHFFFAOYSA-N 419.481 5.323 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)cc1 17094135 PAAMUWCJCKOCIH-UHFFFAOYSA-N 424.884 5.252 0 40 HKAB c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCN(Cc4ccncc4)C3)n2)cc1 19373153 CHPNPWVDFCNBEL-JOCHJYFZSA-N 422.536 5.057 0 40 HKAB Cc1ccc(CN2C(=O)CCc3c(C)nc([C@H]4CCCN4C4CCCCC4)nc32)cc1 19695870 ODJYZSHJQMERAZ-HSZRJFAPSA-N 418.585 5.042 0 40 HKAB FC(F)(F)c1cc(-c2ccccc2)nc2c(-c3cccc(Br)c3)cnn12 20034020 JEAYWCHHANBXJW-UHFFFAOYSA-N 418.216 5.845 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 22512020 NTVYCDBTZOEEMG-SFHVURJKSA-N 407.819 6.308 0 40 HKAB Cc1cccc2c1NC(=O)[C@@]21NC[C@H](c2ccccc2Cl)c2c1[nH]c1ccccc21 25686072 CCFQSLGUMVNBMA-CRICUBBOSA-N 413.908 5.061 0 40 HKAB COc1ccc(C(=O)N[C@@H](Sc2ccc(Cl)cc2)C(=O)c2ccccc2)cc1 27016119 UDQHAQSIMYVBKU-QFIPXVFZSA-N 411.910 5.080 0 40 HKAB O=C(COc1ccc(Cl)cc1)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 27746849 XTQWXTCWXRLCIY-OAQYLSRUSA-N 404.897 5.148 0 40 HKAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2nc(Cl)ccc2Cl)cc1 32505329 NITHROYOSFHERW-UHFFFAOYSA-N 400.309 5.188 0 40 HKAB Cc1ccc2c(=O)cc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)oc2c1C 32622510 SQLBMDAJCWAOIR-UHFFFAOYSA-N 418.518 5.039 0 40 HKAB Cc1cc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)c(C)n1Cc1ccccn1 32689580 RNBJSDKSMHNOIH-CQSZACIVSA-N 402.325 5.346 0 40 HKAB CCC(CC)C(=O)Nc1ccccc1SCc1cc(=O)n2cc(Cl)ccc2n1 33025868 IICLLHOGTMSKNU-UHFFFAOYSA-N 415.946 5.015 0 40 HKAB COc1ccc(CCc2ccccn2)cc1Oc1ccc(CCc2ccccn2)cc1 35973547 HUVHHJSRWRBIMV-UHFFFAOYSA-N 410.517 5.848 0 40 HKAB C[C@@H]1CCCCN1Cc1ccc(CNC(=O)CCCc2c[nH]c3ccccc23)cc1 58088418 IYHRUCUJHCXZKF-HXUWFJFHSA-N 403.570 5.181 0 40 HKAB COc1cc(C(=O)N(C2CC2)[C@H](C)c2cccc3ccccc23)cc(OC)c1OC 58129146 NJMXUSBFPXRHQU-MRXNPFEDSA-N 405.494 5.231 0 40 HKAB CN(Cc1ccccc1F)C(=O)c1ccc(Oc2cccc(Br)c2)nc1 58911417 SAFATZRPKABJAC-UHFFFAOYSA-N 415.262 5.048 0 40 HKAB Cc1ccc([C@H]2CCCN2C(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1C 65575465 JBZYBLSYQZIGAM-HXUWFJFHSA-N 410.464 5.533 0 40 HKAB COc1ccc(Cn2c(SCc3ccc(F)cc3F)nc3ccccc3c2=O)cc1 67258855 PMPHJXFPZCWIRC-UHFFFAOYSA-N 424.472 5.024 0 40 HKAB CCc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)Nc2cccc(C)n2)cc1 67295610 KOUQEINRIAJBSZ-RFBIWTDZSA-N 413.477 5.192 0 40 HKAB O=C(Nc1cccc2ccccc12)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 100763159 TZTZSZHTXVSREU-OVSMBABESA-N 401.554 5.267 0 40 HKAB biogenic c1ccc(C23N=NC(c4ccccc4)([C@H]4c5ccccc5[C@@H]42)[C@H]2c4ccccc4[C@@H]23)cc1 101042905 ZGICMEIBGZXTNZ-XZENETLCSA-N 410.520 7.019 0 40 HKAB COc1ccccc1CN1CC(O)=C(c2nc(-c3ccc(Cl)cc3)cs2)C1=N 102729722 QKXIWKFOMQKJSG-UHFFFAOYSA-N 411.914 5.234 0 40 HKAB CCOc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1ccccc1F 107625784 NNSAKRFNIVLUCK-UHFFFAOYSA-N 421.965 5.864 0 40 HKAB Cc1cccc(CSCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 222736658 DNCYHJPONXCISE-UHFFFAOYSA-N 414.423 5.585 0 40 HKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1C 224364243 MBBYRKLOGQQKSD-XZOQPEGZSA-N 404.583 5.337 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccccc1C 224370399 VORBFNGXGCTCSH-UHFFFAOYSA-N 409.913 5.556 0 40 HKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 224449475 GXBHODVPQVVLAK-XZOQPEGZSA-N 420.557 5.705 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccccc2C)cc1 224586529 ZVZYZEUCZWYOIN-OSVNEOKWSA-N 404.535 5.013 0 40 HKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 224924181 HQBVWGNNVKPNLG-AWEZNQCLSA-N 401.919 5.190 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCCCC4)cc3)CCCC2)cc1 225513203 YMIDTRKZICWPCX-UHFFFAOYSA-N 420.597 5.700 0 40 HKAB COc1cc(N)ccc1NC(=O)/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 227146133 VFSGCPAQAWLLHI-JXMROGBWSA-N 402.372 5.208 0 40 HKAB C[C@@H](Sc1ccccc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 408922350 ZPCHDAJOJFFTJD-CYBMUJFWSA-N 400.396 5.524 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 409023013 BAXCRMULFRSLOH-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(c2ccccc2OC)C1=O 409058490 NKMFGUXOIKNYRX-STZFKDTASA-N 405.475 5.488 0 40 HKAB COc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409338057 CEEHBPSRRDHNAK-HHHXNRCGSA-N 420.512 6.061 0 40 HKAB CC(C)Cc1nc(Cc2ccccc2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265247 KHYWGWAWCIQFLD-UHFFFAOYSA-N 424.338 5.999 0 40 HKAB CCCCC1CCC(C(=O)N[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C(C)C)CC1 1505840604 FPKQMBMURRJOPK-ALLBUHFWSA-N 410.961 5.555 0 40 HKAB O=C(c1ccc(Cl)cc1Cl)[C@H](c1cccnc1)[C@@H](O)C(Cl)(Cl)Cl 644737 RWHQUPKWBYNIJM-GXTWGEPZSA-N 413.515 5.086 0 40 HKAB C[C@H](C(=O)Nc1ccccc1Br)c1cccc(C(=O)c2ccccc2)c1 682504 OYUZAXNDQVFHAF-HNNXBMFYSA-N 408.295 5.422 0 40 HKAB CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1 719541 GZOPCUIMKQFGMM-OAHLLOKOSA-N 404.418 5.069 0 40 HKAB COc1ccc([C@@H](CC(=O)c2cccs2)Sc2ccc(Cl)cc2)cc1OC 945413 WJNFVWHDJFGFIH-OAQYLSRUSA-N 418.967 6.525 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C)C3 956600 FFFLDJNXLPTCFJ-LLVKDONJSA-N 417.987 5.509 0 40 HKAB Cc1cc(-c2ccccc2)nc2oc3c(c12)NC(=O)CN(c1ccc(Cl)cc1)C3=O 1036580 AIPFVGOGRNYTNV-UHFFFAOYSA-N 417.852 5.056 0 40 HKAB Cc1ccc2cc(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCC3)c(=O)[nH]c2c1 1224240 ATUAIRVNZHXARD-GOSISDBHSA-N 419.594 5.217 0 40 HKAB COc1cc([C@@H]2Nc3ccc(Cl)cc3[C@H](c3ccccc3)O2)cc(OC)c1OC 1303753 JUFWFWSUTQTHPJ-JTHBVZDNSA-N 411.885 5.596 0 40 HKAB CCC(=O)N(CC[C@H](c1ccccc1)c1ccc(OC)cc1)C[C@@H]1CCOC(C)(C)C1 1323161 LZDDYPLHIJEGQH-PXDATVDWSA-N 423.597 5.661 0 40 HKAB biogenic CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 1363762 QXMHQRHRALXGEH-GOSISDBHSA-N 423.944 5.707 0 40 HKAB O=C(Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1)c1cccs1 1447936 SJIYDYBOMXYFGU-UHFFFAOYSA-N 405.456 5.350 0 40 HKAB biogenic CCCCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3ccc(CC)cc3)coc2c1 1775091 BTSDRCVNSZVALL-INIZCTEOSA-N 410.466 5.258 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)cc1 2085952 ZVGLPMADLOICEO-MRXNPFEDSA-N 400.547 7.038 0 40 HKAB COc1cc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)ccc1OCc1ccccc1 2137255 BSARNBKGYFQBNA-DNPBVHCKSA-N 411.457 5.284 0 40 HKAB CCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(c1ccc(C)c(Cl)c1)C3 2420056 IYIZWXAGLCKCEZ-UHFFFAOYSA-N 404.293 5.717 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)CSc4nc(C(C)C)n[nH]4)cc3)sc2c1 2626124 AJXCHAOJQCPENR-UHFFFAOYSA-N 423.567 5.244 0 40 HKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2)N1CCc1ccccc1 2703567 NBVMRCBOWIRXRZ-JOCHJYFZSA-N 415.876 5.234 0 40 HKAB CCOc1ccc(NC(=S)N2CCS[C@H]2c2ccc(Cl)cc2Cl)cc1 2728599 RWCGJORTLDMDBJ-KRWDZBQOSA-N 413.395 5.837 0 40 HKAB COc1cc(C(=S)NCCCSc2ccccc2)ccc1OCc1ccccc1 3348952 DCWQRECMKKMZNY-UHFFFAOYSA-N 423.603 5.722 0 40 HKAB Clc1ccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1Cl 3373673 MANLQWVVGDVVEC-UHFFFAOYSA-N 416.333 6.186 0 40 HKAB O=C(CSc1cn(Cc2ccccc2)c2ccccc12)Nc1ccc2c(c1)OCO2 4059651 PHNWHNIJICKARP-UHFFFAOYSA-N 416.502 5.149 0 40 HKAB Cc1ccc(Cn2cc(SCC(=O)N3CCc4ccccc43)c3ccccc32)cc1 4059714 XBWYGAQDTBLPOH-UHFFFAOYSA-N 412.558 5.679 0 40 HKAB Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3cc(Cl)cc(Cl)c3)s2)c1C 4070409 XRSDZKNOGPHOAX-UHFFFAOYSA-N 406.338 5.998 0 40 HKAB O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(Cl)c(Cl)c3)[C@@H]12 4311543 AJIAWTPEXUHVFS-DENIHFKCSA-N 410.325 6.774 0 40 HKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OCc4ccccc4)c2)N3)C1 4571592 AOCLSSMMNJRLMN-QRQCRPRQSA-N 404.535 5.881 0 40 HKAB CCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(CC)ccc4o3)c2)c1 4703930 CIYBQUGBVODRBB-UHFFFAOYSA-N 400.478 6.098 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 4736791 LNOPSADQUJDFMV-KPKJPENVSA-N 402.460 6.081 0 40 HKAB CO[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@]312 4805107 DSVYQBSADVVKNY-HHZNOXSWSA-N 400.691 7.733 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(Cc1ccccc1)C3=O 5560886 UWQRYMCCRWQBMA-JOCHJYFZSA-N 415.876 5.500 0 40 HKAB O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@@H](c2ccccc2Cl)C1 5683868 QYACACRADAHKQU-JOCHJYFZSA-N 400.865 5.802 0 40 HKAB Cc1noc(C)c1CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 6314547 IYDKVLYGBYUPOT-UHFFFAOYSA-N 417.456 6.001 0 40 HKAB CCOc1ccccc1OCCCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 6342057 PQVKAWQZFZQKHP-UHFFFAOYSA-N 400.475 5.146 0 40 HKAB Cc1ccc2c(CSc3nnc(NC4CCCCC4)s3)cc(=O)oc2c1C 6867034 JBEUHHXIUOEUJI-UHFFFAOYSA-N 401.557 5.298 0 40 HKAB CCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 6964815 HQFLYZSQFNXZPP-UHFFFAOYSA-N 408.910 6.268 0 40 HKAB COc1cc(CNC2CCCCCC2)cc(Br)c1OCc1cccnc1 7274930 ODWNYQPZYGKFNI-UHFFFAOYSA-N 419.363 5.244 0 40 HKAB CCCCN1C(=O)c2cccc3c(NC(=O)CSc4ccc(F)cc4)ccc1c23 7511695 PPKWBOSUPVDWSZ-UHFFFAOYSA-N 408.498 5.470 0 40 HKAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCc1cccc2ccccc12 7605146 RUPDBCLRJOEHEL-UHFFFAOYSA-N 419.550 5.352 0 40 HKAB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 7928268 JISNTXGAXYPFBP-KRWDZBQOSA-N 420.896 5.432 0 40 HKAB COc1ccccc1[C@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 8076302 GZJCFAOXOGLNGS-KRWDZBQOSA-N 417.534 5.160 0 40 HKAB Cn1ccnc1[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 8135945 FYKJBULRZFVSRQ-HSZRJFAPSA-N 415.924 5.111 0 40 HKAB Oc1c(Br)cc(Br)cc1/C=C/c1ccc2cccc(O)c2n1 8452645 RPWDPJBSGSHYCB-FNORWQNLSA-N 421.088 5.341 0 40 HKAB CC1=C(C(=O)Nc2cc(C)cc(C)c2)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 8767129 YTVAOPWZDOGGAE-GOSISDBHSA-N 420.365 5.042 0 40 HKAB Cc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)c(C)c2)cc1 9427578 BHOMVBGXPBPBJQ-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCc3nc4ccccc4o3)c3c(C)noc3n2)s1 11960374 AWVMJHDCFQMBNQ-UHFFFAOYSA-N 405.435 5.066 0 40 HKAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3cccc(O)c3)no2)cc1OC 12185657 JAMAUBIGXZGQIT-NRFANRHFSA-N 408.498 5.182 0 40 HKAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCC(C)CC3)c2c1 12437857 WEHIWZZHNVAHMQ-UHFFFAOYSA-N 424.566 5.011 0 40 HKAB Fc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(-c5ccccc5)cc4)=NN32)cc1 12564827 VAHAKZWTXMJSCY-XCZPVHLTSA-N 420.487 6.735 0 40 HKAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc(Oc2ccccc2Cl)cc1 12800584 ASRURPKROOIHML-UHFFFAOYSA-N 421.836 5.256 0 40 HKAB O=C(Nc1ccccc1C(=O)N1CCC(CCc2ccccc2)CC1)c1cccs1 12917762 IRHBPTXTCDTQFC-UHFFFAOYSA-N 418.562 5.485 0 40 HKAB O=S(=O)(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc2ccccc2c1 13612966 NXPABPOUGHOHLF-UHFFFAOYSA-N 421.493 5.036 0 40 HKAB Brc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)c1 13777050 WXUWYNJPIHGOLC-PZJWPPBQSA-N 406.283 5.086 0 40 HKAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccc(Cl)cc2)cc1 14005747 AIYWXAHQGLLOEB-UHFFFAOYSA-N 424.884 5.009 0 40 HKAB Cc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)o1 14360801 CXTHWHXHVTZXRA-BRAIEQGRSA-N 402.661 5.132 0 40 HKAB O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)N1CC[C@@]2(O)CCCC[C@@H]2C1 15954663 VXLZFOGJWKLCAK-CJAUYULYSA-N 420.940 5.322 0 40 HKAB biogenic Cc1nc2ccccc2n1CCNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 16109786 SBZNGLVDVKNRLL-UHFFFAOYSA-N 422.488 5.097 0 40 HKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 17091190 XQQZPIWUCYWIKU-UHFFFAOYSA-N 417.559 5.707 0 40 HKAB Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN2C(=O)c2c(C(C)C)noc2C)n1 19692073 GYEGXFIFMBGYLS-HSZRJFAPSA-N 417.553 5.686 0 40 HKAB C[C@]1(C2CCN(C(=O)C3CCCCC3)CC2)CCCCN(CCc2ccccc2)C1=O 19744957 VXJWBLPWICLZJT-HHHXNRCGSA-N 424.629 5.067 0 40 HKAB O=C(CSCc1cccc(Cl)c1)NCCSCc1ccccc1Cl 20238055 CJTJLEMEOGRYAT-UHFFFAOYSA-N 400.396 5.276 0 40 HKAB Cc1ccc(CNc2c(S(=O)(=O)c3ccc(C)cc3)cnc3ccc(C)cc23)cc1 20382418 WNNZQWMNEUATAG-UHFFFAOYSA-N 416.546 5.605 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 20493563 BLSPZIJLVMWXSV-SFHVURJKSA-N 408.712 6.596 0 40 HKAB CCOc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 22075357 HCJUOPUMPOIYRZ-JOCHJYFZSA-N 411.929 5.141 0 40 HKAB Cc1ccc(C)c(OCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 22529635 CRRNHIFEGPCFFC-UHFFFAOYSA-N 415.533 5.849 0 40 HKAB CCn1c(C2CC2)nn(CN2CCc3sccc3[C@H]2c2cccs2)c1=S 23855771 HCJBFCGAPZDEDK-KRWDZBQOSA-N 402.614 5.040 0 40 HKAB COc1cc(CN[C@@H](C)c2ccccn2)ccc1OCCOc1ccccc1Cl 25358952 RIDSONYIDRMEOK-KRWDZBQOSA-N 412.917 5.052 0 40 HKAB C[C@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1nnc(-c2cccs2)o1 28809561 VTLDLHRLAVEIES-QFBILLFUSA-N 414.534 5.762 0 40 HKAB CCc1ccccc1N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 35040603 ZSOUGMAOZJDJGP-LFIBNONCSA-N 404.354 5.417 0 40 HKAB CCc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2cccc(C)c2)cc1 41076823 NITRWVFNAMVGSE-UHFFFAOYSA-N 416.546 5.653 0 40 HKAB O=C(NCc1ccc(CN2CCCCC2)cc1)/C(=C/c1ccco1)c1ccccc1 44873384 HJDCXBFYOPYFRZ-XIEYBQDHSA-N 400.522 5.123 0 40 HKAB CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)c1 46078721 HVQDDHDRBZTXSE-UHFFFAOYSA-N 412.489 5.043 0 40 HKAB Cc1ccc(C)c(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)c1 57487237 SCNSJHZCDPRISJ-UHFFFAOYSA-N 406.873 5.114 0 40 HKAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 59461561 CFQSPDRHNANJEI-ZIAGYGMSSA-N 420.340 6.041 0 40 HKAB Cc1cc(C(=O)Nc2cc(C)c(NC(=O)c3cc(C)sc3C)cc2C)c(C)s1 60957489 XTCMKUNJCCVFAB-UHFFFAOYSA-N 412.580 6.165 0 40 HKAB O=S(=O)(c1cc(F)cc(F)c1)c1cnc2c(F)cccc2c1-c1ccc(F)cc1 67335407 TUYNCXNLDTZQCP-UHFFFAOYSA-N 417.383 5.291 0 40 HKAB Cc1cc(Nc2nccs2)cc([C@H]2CCCN2C(=O)CCCc2ccc(F)cc2)n1 72372677 ZOKRVBQKLCZQCB-OAQYLSRUSA-N 424.545 5.416 0 40 HKAB COc1ccc(SCC2CCN(C(=O)c3ccccc3Br)CC2)cc1 90608252 JGEPIZLCJLXQJB-UHFFFAOYSA-N 420.372 5.102 0 40 HKAB COc1ccc(-c2nc(C3CCN(Cc4cccs4)CC3)cc3c2ncn3C)cc1 96099977 UIMKVRUCPWUSAI-UHFFFAOYSA-N 418.566 5.085 0 40 HKAB Oc1nc(/C(Cl)=C\c2ccc(-n3cccn3)cc2)nc2sc3c(c12)CCCC3 96947640 KKTOFWQYEZSDOA-FOWTUZBSSA-N 408.914 5.198 0 40 HKAB COc1c2c(c(OC=C(C)C)c3c1C(O)=C(c1ccc(O)cc1)CO3)OC(C)(C)C=C2 100643873 QYTFAEQHBTXCQR-UHFFFAOYSA-N 422.477 5.706 0 40 HKAB Cc1c(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)c2ccccc2n1C 106718625 SOFZNVXVZAFSAM-UCQKPKSFSA-N 412.514 5.876 0 40 HKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)Nc1ccc2ccccc2c1 205613353 CNMNGEFIAVLVAU-KQWNVCNZSA-N 412.514 5.619 0 40 HKAB O=C(c1ccc(C(F)(F)F)nc1)N1CCS[C@@H](c2ccccc2Cl)CC1 206997913 RMRRDIUVSXGXSY-OAHLLOKOSA-N 400.853 5.074 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3c(C)c(C)n(-c4ccccc4)c3C)N21 222719779 TVYFWNIRNJPJQE-CTUHWIOQSA-N 416.594 5.777 0 40 HKAB O=C(NC1CCCCCCC1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 223081428 WINOBOFMIHPVGM-UHFFFAOYSA-N 408.517 5.261 0 40 HKAB CC(C)c1ccc(CCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 223125800 GGXJGDDKMBVRTG-OAQYLSRUSA-N 422.613 5.117 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2cccc(C)c2)c1 224116156 BXKHAMHFCBPVRF-UHFFFAOYSA-N 403.522 5.960 0 40 HKAB CC(C)(Cc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 224506822 UPPSECIDTLZMSA-UHFFFAOYSA-N 419.396 5.343 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c(Cl)c1 224998406 WXXNTLHOZNDYKL-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CC[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C)c(C)c1 225710657 OUYDHIRBFTUWSI-KRWDZBQOSA-N 400.897 6.413 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c2cccnc12 225868615 GSLCPXGRSCWAPY-UHFFFAOYSA-N 420.528 6.249 0 40 HKAB CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@H]12)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 253598172 ZRPNFEVAKYBZFA-GTBMKELMSA-N 412.702 8.089 0 40 HKAB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccc(F)cc1 408562443 POJFIGBEOZMKHZ-NMWGTECJSA-N 409.313 5.732 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2cccc(Cl)c2)c(C)c1 408696995 DJMMNOSVSRUCNM-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(C)cc2)cc1 408697187 FTMMYNPJMRLXKM-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB Cc1cccc(-n2c(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nnc2-c2ccccc2)c1 409093832 APSAKCVBIDVWHU-OALUTQOASA-N 420.582 5.124 0 40 HKAB Cc1ccc(COc2c(Cl)cc(Cl)cc2CNc2ccc(C)cc2C)cc1 409115640 SOUOOYBNQCZRLL-UHFFFAOYSA-N 400.349 7.110 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2nc3c(c(N)c12)C(=O)C[C@H](c1ccc(F)cc1)C3 1548338343 MMPZHLJERRCMCS-CQSZACIVSA-N 420.875 5.016 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 1848355063 JPCUKTRMWRNMHS-LJQANCHMSA-N 413.496 5.318 0 40 HKAB O=C(Nc1ccc(Oc2ncnc3sc4c(c23)CCCC4)cc1)c1ccccc1 706878 KZCKXQNZBWNDPM-UHFFFAOYSA-N 401.491 5.615 0 40 HKAB O=C(CSc1nnc(Cc2ccccc2)n1C1CCCCC1)Nc1ccc(F)cc1 882774 LRXGHJGCXWHVDW-UHFFFAOYSA-N 424.545 5.244 0 40 HKAB COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 1006559 QSWPTSNZQKDILC-UHFFFAOYSA-N 415.276 5.507 0 40 HKAB COc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cccs2)cc1 1804637 ZQRCDPHOHQLYKN-WEVVVXLNSA-N 405.548 5.810 0 40 HKAB CCCCCCSc1nnc2c(n1)O[C@@H]([C@H]1CC=C(C)C[C@@H]1C)Nc1ccccc1-2 2073891 ARMZDRAAYLROFH-SPEDKVCISA-N 424.614 6.334 0 40 HKAB CCC[C@@H]1Cc2c(sc3nc(SCc4ccc5ccccc5c4)nc(N)c23)CO1 2210439 OJLZOMCNICNBBA-QGZVFWFLSA-N 421.591 5.960 0 40 HKAB CC(C)CCOC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 2253467 MMNCCOBXOPBCBV-UHFFFAOYSA-N 408.889 5.012 0 40 HKAB Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(OCc3ccc(F)cc3)cc2O)n1 2354638 PYWPBMVSQPVRDH-UHFFFAOYSA-N 421.859 5.470 0 40 HKAB biogenic O=C(N[C@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1cccs1 2368211 GCHXMYVVCYAXJR-GFCCVEGCSA-N 401.167 5.620 0 40 HKAB CC[C@@H](C)c1ccc(Oc2nc(-c3cccc(OC)c3O)nc3ccccc23)cc1 2408805 CAILDKDATMCFLY-MRXNPFEDSA-N 400.478 6.317 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)c(-c3ccc(C)cc3)c2Br)cc1 2733368 XPKRFSSDIVWCTM-UHFFFAOYSA-N 403.323 6.586 0 40 HKAB O=C(c1sc2cccc(OC(F)F)c2c1Cl)N1CCN(c2ccccc2)CC1 2790218 SJOJGYFWAOURPK-UHFFFAOYSA-N 422.884 5.119 0 40 HKAB Clc1ccc(CSc2nc3ccccc3c3nc(-c4ccccc4)nn23)cc1 2969005 WYQNNQONRNTABK-UHFFFAOYSA-N 402.910 5.890 0 40 HKAB FC(F)(F)c1ccc(/N=c2\oc3ccccc3cc2-c2nc3ccccc3[nH]2)cc1 3108429 ULYKAHYOWCYSHP-QYQHSDTDSA-N 405.379 6.227 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cccc3ccccc23)sc2c1CCCC2 3252511 DUURTPFWMKUEAY-HNNXBMFYSA-N 423.534 5.363 0 40 HKAB O=C(NC(=S)N1CCCCC1)c1cc(-c2ccccc2Cl)nc2ccccc12 3262441 RXLZPCCDRKPGJY-UHFFFAOYSA-N 409.942 5.056 0 40 HKAB O=C1CCCC[C@@H]1Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 3504351 SYXQWZUZFNWQIZ-KRWDZBQOSA-N 422.337 5.497 0 40 HKAB COc1ccc(-c2c(C)c3cc(OCc4ccc(C)cc4)ccc3oc2=O)cc1OC 4340801 LAGTZDJRTLQMOA-UHFFFAOYSA-N 416.473 5.673 0 40 HKAB biogenic O=C(O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 4501711 KCBFLRXEIMLLEK-QHHAFSJGSA-N 402.071 5.433 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)cc1 4503175 JIARQXULNRKOST-UHFFFAOYSA-N 410.473 5.639 0 40 HKAB CC1(C)C[C@]2(CCO1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 4889307 YIVYQIXTTHHSIR-UGKGYDQZSA-N 417.336 5.822 0 40 HKAB CC(C)(C)c1ccc(-c2nnc3c4cnn(-c5cccc(Cl)c5)c4ncn23)cc1 5156936 ZDHYACVVMXGKBT-UHFFFAOYSA-N 402.889 5.081 0 40 HKAB O=C(/C=C/c1cccs1)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1 5264914 WGGXGINMDFRYBR-MDZDMXLPSA-N 411.939 5.653 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)nc2c1 5267161 WUAWSQXNYLNOFM-OAHLLOKOSA-N 404.897 6.914 0 40 HKAB COc1ccc(CNCC[C@]2(Cc3ccccc3Cl)CCOC(C)(C)C2)cc1 5297523 LBZBPKDJKRLGPE-XMMPIXPASA-N 401.978 5.646 0 40 HKAB FC(F)(F)c1ccc(N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)nc1 6297346 ZDXZSGSRCSKZHI-PGGKNCGUSA-N 400.187 6.113 0 40 HKAB CCCCn1nc(C(=O)Nc2ccccc2Cc2ccccc2)c2ccccc2c1=O 6430031 ZDJPUSXYWNVQTH-UHFFFAOYSA-N 411.505 5.040 0 40 HKAB Cc1cccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1C 6547403 SQDOJLLQYLOTIF-UHFFFAOYSA-N 409.363 5.952 0 40 HKAB COc1ccc(-c2csc(NC(=O)COc3ccc(C4CCCCC4)cc3)n2)cc1 6736660 UWWJYSAOXJXOEY-UHFFFAOYSA-N 422.550 5.884 0 40 HKAB Cc1cc(C)cc(-c2nnc(SCC(=O)N[C@H](C)c3ccc4c(c3)CCCC4)o2)c1 7743935 OULTYDBKEXWEFY-QGZVFWFLSA-N 421.566 5.202 0 40 HKAB CCCCN1C(SCc2ccc(F)cc2Cl)=NS(=O)(=O)c2ccccc21 8023993 LOYYSGCNHWFLET-UHFFFAOYSA-N 412.939 5.077 0 40 HKAB CCCCOc1ccccc1C(=O)Nc1ccc(OCCOc2ccccc2)cc1 8162419 ZATAXGPEDINLEI-UHFFFAOYSA-N 405.494 5.576 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(NC(=O)c2ccco2)c1 8434657 NDKCEFRPQJEQNM-UHFFFAOYSA-N 412.445 5.363 0 40 HKAB Cc1ccc(OC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)c(C)c1 8868321 NREYWLQZVAQQOK-UHFFFAOYSA-N 402.878 5.397 0 40 HKAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2ccc3ccccc3c2)o1 9417431 DGNVKMYSBOUPHC-AWEZNQCLSA-N 408.454 5.477 0 40 HKAB Cn1c(-c2ccc(Cl)c(Cl)c2)cn2cc(-c3cccc(Br)c3)nc12 9805797 HMRNUBVFDRTCCG-UHFFFAOYSA-N 421.125 6.076 0 40 HKAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1Sc1ccccc1 10186013 AXVAIXWFAAUSIB-KRWDZBQOSA-N 417.534 5.014 0 40 HKAB COc1ccc(CCNC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1OC 12042212 XUZHHOTXXLJKEV-UHFFFAOYSA-N 420.292 5.243 0 40 HKAB Cn1cc(Cl)c([C@H]2CCCCCN2C(=O)c2cc(-c3cccc(Cl)c3)on2)n1 12133815 ASNQZYUHKXVFOD-QGZVFWFLSA-N 419.312 5.139 0 40 HKAB O=C(Nc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1)C12CC3CC(CC(C3)C1)C2 12376036 WOESRXRTRCIDSS-UHFFFAOYSA-N 414.549 5.512 0 40 HKAB Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3cccc(Br)c3)cc2)cs1 12596867 IAEMJQLRBADXFV-GFCCVEGCSA-N 416.344 5.320 0 40 HKAB C[C@H]1CCc2sc(C(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)cc2C1 12616712 QXAHNNCUJMNKJJ-LBPRGKRZSA-N 402.972 5.826 0 40 HKAB Cc1nc(COc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)cs1 12781398 OIWYVNGCWAMQNB-UHFFFAOYSA-N 421.291 5.184 0 40 HKAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 12867401 AAERLDVRKOBORY-UHFFFAOYSA-N 405.325 5.497 0 40 HKAB CCCN(Cc1ccccc1)C[C@@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 13148520 HYMPGDWOKWJSBN-XMMPIXPASA-N 411.630 6.052 0 40 HKAB COc1ccc(CNc2c(-c3ccc(OC)c(OC)c3)nc3ccc(Cl)cn23)cc1 13502014 YNKIHCKVPRVYQK-UHFFFAOYSA-N 423.900 5.293 0 40 HKAB CCCCCCn1c([C@@H](CCSC)NC(=O)c2ccccc2)nc2ccccc21 13597861 QINXQNQHHZMYMV-OAQYLSRUSA-N 409.599 5.841 0 40 HKAB Cc1ccc(NC(=O)[C@H](NCc2ccc(CN3CCCC3)cc2)c2ccccc2)cc1 14199167 NDZSAJKHOMXOHV-AREMUKBSSA-N 413.565 5.060 0 40 HKAB Fc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 17082123 FSYMBBWNLBWSBO-UHFFFAOYSA-N 401.243 6.791 0 40 HKAB Cc1cccc(NC(=O)COc2cccc3ccc(N4CCC[C@H](C)C4)nc23)c1C 17135628 OEUCXOQYIUXMDL-KRWDZBQOSA-N 403.526 5.105 0 40 HKAB Cc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 20050473 QROJQJHCFBZVMI-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(c1ccc(Br)o1)N(Cc1ccc(F)cc1Cl)c1ccccn1 28292126 VGBDALUUJCKWNQ-UHFFFAOYSA-N 409.642 5.077 0 40 HKAB O=C(Nc1cccc(Cl)c1)N(Cc1nc2n(n1)CCCCC2)c1cccc(F)c1 28527822 OMVCSFTWCCLIHZ-UHFFFAOYSA-N 413.884 5.036 0 40 HKAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 30754460 QMWCBJRHSJICLX-DEOSSOPVSA-N 421.512 5.495 0 40 HKAB CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)ccc1Cl 30853817 JVYHAXWVPWQABJ-NRFANRHFSA-N 411.885 5.466 0 40 HKAB Cc1ccc(CS(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 38752907 QNUGFAHEYKBAND-UHFFFAOYSA-N 421.562 5.465 0 40 HKAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(OCc3ccccn3)cc2)cc1 40079775 XMJUUSHXTAQRRI-QLHJLYHHSA-N 414.505 5.046 0 40 HKAB CC12CC3(C)CC(C)(C1)CC(c1ccc(Br)c(Br)c1)(C2)C3 49079152 BQCCBVSXLQCOSX-UHFFFAOYSA-N 412.209 6.850 0 40 HKAB O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCC(c2nccs2)CC1 58265682 IVDPRFNHLQMUIB-UHFFFAOYSA-N 406.429 5.442 0 40 HKAB CC[C@@H](C)n1c(SCC(=O)Nc2ccc(C)cc2Cl)nc2ccsc2c1=O 67335119 PCHCFLMUVSUSDA-GFCCVEGCSA-N 421.975 5.122 0 40 HKAB O=c1c2sccc2nc(SCc2ccccc2F)n1Cc1ccc(F)cc1 71768728 GVVIDYGPYXCJMW-UHFFFAOYSA-N 400.475 5.077 0 40 HKAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 71844300 XHZNPRUTDUDLFB-KNQAVFIVSA-N 424.491 5.737 0 40 HKAB CCC[C@@H]1[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)CCC 102696869 FFNLFWCXKWZQKH-IRFILORWSA-N 420.424 6.963 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCC(C)C 222918996 SJVRGUZYDJTDGX-QFIPXVFZSA-N 410.558 5.166 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)COc2ccc(Cl)cc2Cl)cc1C(C)C 223261942 REEIGJHSKYUURQ-AWEZNQCLSA-N 410.341 5.690 0 40 HKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 223764281 GCQLEUMUGXSCQD-UXHICEINSA-N 401.934 5.696 0 40 HKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C(C)C 224396659 IZPYWDOFISICQL-VXKWHMMOSA-N 408.546 5.397 0 40 HKAB CCCC[C@@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 224407977 QHUBZDWSTWPFCA-MRXNPFEDSA-N 422.978 5.087 0 40 HKAB S=C(Nc1ccc(Oc2ccccc2)nn1)NC(c1ccccc1)c1ccccc1 225189053 CKIDCYKOVDTGEF-UHFFFAOYSA-N 412.518 5.345 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225600784 NKCDDHOVFBMAKN-GOSISDBHSA-N 423.925 5.808 0 40 HKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)c1ccc(Cl)cc1F 225803224 PJBVELUCKBRMCS-UHFFFAOYSA-N 406.240 6.186 0 40 HKAB Clc1ccc(CN2CC=C(c3nc4cc(Br)ccc4o3)CC2)cc1 226251105 QLTMWYNFQUVLSE-UHFFFAOYSA-N 403.707 5.533 0 40 HKAB CCO[C@]1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCC[C@H](C)C1 260816818 QQAIJZWRFPQGSN-STWLZBDKSA-N 416.606 5.254 0 40 HKAB O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccccc1Cl 408527709 HCGBVYQARPFURI-UHFFFAOYSA-N 402.837 5.809 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)cc1OC 408618840 HCYSZHXSQFZZRB-UHFFFAOYSA-N 407.466 5.537 0 40 HKAB CCC[C@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408703029 DEQBXGQRXPRBAN-NYHFZMIOSA-N 416.974 5.033 0 40 HKAB Cc1ccc(NC(=O)c2c(NC(=O)c3cccc(Cl)c3)sc3c2CCCC3)cc1 409051567 ARUACNUZIPIHAP-UHFFFAOYSA-N 424.953 6.093 0 40 HKAB CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Cl 409136842 ZYOOFLHCOJQRDA-MHWRWJLKSA-N 414.354 6.009 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC 409208649 DKKMGNXZGALURW-CXUHLZMHSA-N 424.305 5.642 0 40 HKAB Cc1ccc2nc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)sc2c1 988076 HOSQKJAKTRWDAR-BBITVKMKSA-N 422.509 5.001 0 40 HKAB Cc1cc(OCCCC(=O)Nc2nc(-c3ccccc3)c(C)s2)cc(C)c1Cl 1787157 BTXJNEKLYGDIDW-UHFFFAOYSA-N 414.958 6.186 0 40 HKAB Cc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3cc(Cl)ccc3Cl)c1-2 1812580 VYALTWNMADGZRS-PYCFMQQDSA-N 407.391 6.985 0 40 HKAB CCCCCSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@@H](C(C)C)C4 1819209 MGWBAIHMDRXZSO-CYBMUJFWSA-N 422.645 5.441 0 40 HKAB O=C1c2ccccc2[C@@](O)([C@@H](Cc2ccccc2)c2ccccc2)N1Cc1ccccc1 2117979 TUSWLPKKCDOOCI-LMSSTIIKSA-N 419.524 5.514 0 40 HKAB FC(F)(F)c1cc(Nc2ncnc3scc(-c4ccccc4)c23)ccc1Cl 2679621 WSMYQDVZEVIXNK-UHFFFAOYSA-N 405.832 6.774 0 40 HKAB Cc1ccc(-c2nsc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1 2917471 JSXLSUTXTATVLI-UHFFFAOYSA-N 409.458 5.263 0 40 HKAB O=C(COC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1cccc(Cl)c1 3266326 MTAMPIPJFKZDGD-UHFFFAOYSA-N 415.272 5.612 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccc(C(F)(F)F)c1 3437404 UBJHHDWMSBLZSA-UHFFFAOYSA-N 417.239 6.388 0 40 HKAB C[C@H]1C[C@H](Nc2ccc(Br)cc2)c2ccccc2N1C(=O)c1ccccc1 4045128 MRAMZZXAPMWUNP-KKSFZXQISA-N 421.338 6.041 0 40 HKAB O=C1OC(c2ccccc2F)=N/C1=C\c1cccc(OCc2cccc(Cl)c2)c1 4627766 XWOLOMLSKAKRFU-BKUYFWCQSA-N 407.828 5.403 0 40 HKAB Clc1ccccc1-c1nc2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2 5024550 CQEBXAXDQAPRMK-UHFFFAOYSA-N 400.825 5.018 0 40 HKAB aggregator O[C@](C1CCCCC1)(C1CCC2(CCCCC2)CC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 5086214 JABAJANPPUTYNB-WXFGDYGBSA-N 400.691 8.045 0 40 HKAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1cc(Cl)ccc1Cl 5152764 IDRRGTSFFRWANB-LJQANCHMSA-N 401.293 5.120 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCc3ccccc3F)n2-c2ccccc2)cc1 5478718 PKWMGUALRVMTAU-UHFFFAOYSA-N 417.553 6.663 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 5661021 BHJXYRVHDDDCMO-UHFFFAOYSA-N 409.294 5.386 0 40 HKAB CCCCN(CCCC)[C@@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 5938728 MDXICUWTOGCNAC-JOCHJYFZSA-N 402.966 5.931 0 40 HKAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2cccs2)nc2ccccc12 6510846 WGXSHSQBZUYAPC-OAHLLOKOSA-N 417.559 5.428 0 40 HKAB Fc1cccc(Cl)c1CSc1nnc(-c2cccnc2)n1Cc1ccccc1 6531713 GANHVNKCFHFQGY-UHFFFAOYSA-N 410.905 5.473 0 40 HKAB CCCCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 6635484 MIOYBBJJORRNEH-YBEGLDIGSA-N 406.847 5.345 0 40 HKAB c1ccc2c(Cc3nnc(SC[C@@H]4CCCO4)n3C3CCCCC3)cccc2c1 6787217 MYMFOXPMVXQPFJ-NRFANRHFSA-N 407.583 5.798 0 40 HKAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@@H](C)c2ccncc2)cc1C 7184822 AVEPZHVOEDMUOF-FQEVSTJZSA-N 410.521 5.101 0 40 HKAB COc1cccc(CNCc2ccccc2)c1OCc1ccc(Cl)cc1Cl 8495450 RYDMGNHTGMXHHJ-UHFFFAOYSA-N 402.321 5.871 0 40 HKAB c1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5ccco5)nc4c32)cc1 8756763 BIOCNEUTARXNGJ-OAQYLSRUSA-N 416.440 5.823 0 40 HKAB Fc1cccc(Cl)c1[C@@H]1C=C(c2ccc(-c3ccccc3)cc2)N=C2NN=NN21 9332023 PBTDENFBDMNCEK-FQEVSTJZSA-N 403.848 5.785 0 40 HKAB O=C1CCCC[C@H]1Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 9464733 DUDMVVWBNPSQML-QGZVFWFLSA-N 419.337 5.240 0 40 HKAB COc1ccc(Cl)cc1CSCC(=O)Nc1ccc(Br)cc1F 9592886 WGQQFQRSTSRRPR-UHFFFAOYSA-N 418.715 5.122 0 40 HKAB Cc1ccc(-c2nc(-c3ccc(F)cc3)[nH]c2SCC(=O)NCc2ccco2)cc1 9674113 OZSYFJQCULHQJO-UHFFFAOYSA-N 421.497 5.193 0 40 HKAB CCN(Cc1ccc(Cl)s1)C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 9791849 TZSOREWBSYZZCW-IBGZPJMESA-N 408.951 5.102 0 40 HKAB CC(C)Oc1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 10156192 WMQPNJNQSRGZOL-UHFFFAOYSA-N 420.347 5.551 0 40 HKAB COc1ccc2sc(N(Cc3ccncc3)C(=O)/C=C/c3cccs3)nc2c1 10254265 OVCYGWAENHCKOF-FNORWQNLSA-N 407.520 5.008 0 40 HKAB C[C@@H](NCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 10315500 GEUFYPMTYMMXRC-QGZVFWFLSA-N 409.360 6.847 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 10371655 AFAULEJOUKYVKN-UHFFFAOYSA-N 422.550 5.173 0 40 HKAB Cc1[nH]c2ccc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)cc2c1C 11762390 XENBFZNAHWTUIV-UHFFFAOYSA-N 416.550 5.052 0 40 HKAB Clc1ccc(/C=C2\CCc3cnn(-c4nc(-c5ccc(Cl)cc5)cs4)c32)cc1 12600272 WKNBZEFVJPSSJM-LFIBNONCSA-N 424.356 6.789 0 40 HKAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)N[C@@H](c1ccccc1)C1CC1 12628601 CFJRSLOCSHHXEC-QFIPXVFZSA-N 405.498 5.012 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)CNc2ccc(NC(C)=O)cc2C(F)(F)F)cc1 12640425 FFIIJDAGXYUHJM-ZDUSSCGKSA-N 407.436 5.228 0 40 HKAB Cc1sc2ncnc(N[C@@H](C)C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)c2c1C 12928637 OZFUCPJNBOTYEH-RYUDHWBXSA-N 422.476 5.005 0 40 HKAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc(COc2ccccc2)cc1 13001064 VKEONZDWMBRAKL-UHFFFAOYSA-N 416.521 5.065 0 40 HKAB Cc1csc(SCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)n1 13115953 GLXCYFCDURXFBS-INIZCTEOSA-N 423.519 5.261 0 40 HKAB O=C(Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1ccc(F)cc1F 13148157 DKNDMXJQVLQOPE-UHFFFAOYSA-N 414.864 5.949 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccccc1CCc1ccccc1 13688373 PBPYGILFVUWSTN-UHFFFAOYSA-N 409.554 6.875 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 15229287 QBAXRMTXFODEHH-MHZLTWQESA-N 422.503 6.500 0 40 HKAB Cc1c(C(=O)Nc2ccc(Br)cc2)sc2nc(-c3ccccc3)cn12 16740404 XKLNXCWQSZJJIS-UHFFFAOYSA-N 412.312 5.386 0 40 HKAB Cc1cccc(NC(=O)Cn2nc(COc3ccc(Cl)cc3Cl)oc2=S)c1 16768947 LFQGAHXSPVDGTI-UHFFFAOYSA-N 424.309 5.039 0 40 HKAB Cc1ccc(-c2nn(CC(=O)c3ccc(Cl)cc3)c(=S)n2-c2ccccc2)cc1 16769680 RJEMREGABKXDPW-UHFFFAOYSA-N 419.937 5.915 0 40 HKAB Cc1ccccc1-n1c(SCc2c(C)noc2C)nnc1-c1c[nH]c2ccccc12 17991773 QGRWBVVYADQPDA-UHFFFAOYSA-N 415.522 5.621 0 40 HKAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN(C(=O)c3ccc(C(C)(C)C)cc3)C2)on1 19122106 QNNXXUKUTFBLKS-LJQANCHMSA-N 418.541 5.066 0 40 HKAB CC[C@@H](C)c1ccccc1O[C@H](C)CNc1cccc(OCCOc2ccccc2)c1 19738416 MYZVDWBHRSEPHR-FGZHOGPDSA-N 419.565 6.537 0 40 HKAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1ccc(Cl)cc1)CO3 19882350 WFLJNWYMLIZPHA-UHFFFAOYSA-N 403.865 5.466 0 40 HKAB biogenic CCOc1ccc(CCC(=O)NC(c2ccccc2)c2ccccc2)cc1OCC 19934628 NUXHPZBCMPLOBD-UHFFFAOYSA-N 403.522 5.322 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 20728183 VSHVYXBQBWQNHO-MRXNPFEDSA-N 401.253 5.028 0 40 HKAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)o1 21545940 YDNVETZUXAGSMP-UHFFFAOYSA-N 424.309 5.173 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccccc1NCc1nc(-c2ccsc2)no1 22025006 FEMNZJWEXJDSKH-UHFFFAOYSA-N 410.886 5.316 0 40 HKAB C[C@@H]1Sc2ccc(C(=O)N(CCc3ccccc3)Cc3ccccc3)cc2NC1=O 23078854 RZJUTABBLLSZOL-SFHVURJKSA-N 416.546 5.004 0 40 HKAB COc1ccc(C(=O)C[C@H](Nc2ccc(Cl)cc2)c2ccc(SC)cc2)cc1 27830236 WYRMOKAOFWZFQS-QFIPXVFZSA-N 411.954 6.497 0 40 HKAB Brc1ccc([C@@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 31716542 IRGYIDPXYHPMEG-BJKOFHAPSA-N 416.318 6.373 0 40 HKAB Cn1c(SCc2nc3cc(Cl)ccc3n2Cc2ccccc2)nnc1C1CC1 32754518 YRSWLARYSQRWRG-UHFFFAOYSA-N 409.946 5.036 0 40 HKAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(NC(=O)NC2CC2)c1 32818057 YKJAAWKDNDBCBN-KRWDZBQOSA-N 415.493 5.044 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](/C=C\c1ccccc1)C(=O)c1ccccc1 36610873 SQYUSQQNCYCPRO-DNFWBNENSA-N 404.550 6.203 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 38752469 FVOBZGSXFGUVMB-KRWDZBQOSA-N 409.913 5.809 0 40 HKAB C[C@H]1CCC[C@@H](n2ccc3c(cnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)[C@@H]1C 40397293 PCXLVNOTVFFPJE-BXTJHSDWSA-N 406.917 5.362 0 40 HKAB CCCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1OC 57315830 UWNRPGCQWCNDBT-DTQAZKPQSA-N 418.493 5.736 0 40 HKAB Nc1c(Cl)cc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1Cl 58377732 JDEAVZHFVXLUFM-UHFFFAOYSA-N 424.287 6.150 0 40 HKAB Cc1ccc(OCc2nnc(S[C@@H](c3ccccc3)c3ccccc3C)o2)cc1 58733494 MTDGTLKVLLEZMH-QHCPKHFHSA-N 402.519 6.147 0 40 HKAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 72214584 RFZBXWIERCMQNQ-QHCPKHFHSA-N 423.601 6.206 0 40 HKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 72215098 QJCVYZGPSKUYCK-SIKLNZKXSA-N 409.574 5.959 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(CNc2ccccc2)cc1 72311621 YSUARZKTCLNTNO-RUZDIDTESA-N 411.505 5.201 0 40 HKAB CC(C)(C)n1nc(C(=O)Nc2nc(-c3c(F)cccc3F)cs2)cc1C1CC1 84325552 PDECWGYFIVADAC-UHFFFAOYSA-N 402.470 5.170 0 40 HKAB O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2nc(-c3ccsc3)cs2)CC1 96099896 NLEDDTXDDKEYJD-UHFFFAOYSA-N 424.378 5.141 0 40 HKAB O=C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)N(Cc1ccc(F)cc1)C1CC1 105928331 SACNOZXBSYBVBL-UOBYYGQQSA-N 420.366 5.441 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC[C@@H](O)[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 123241839 FXLFOXWMRVVZAG-DDLCNDOBSA-N 404.679 6.439 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)N1CCS[C@H](c2ccccc2Cl)CC1 211147215 SMEKELIYPXMFCA-KRWDZBQOSA-N 414.880 6.071 0 40 HKAB Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 223113900 FWVPCIHKSWQEJF-PKTZIBPZSA-N 421.541 5.786 0 40 HKAB CCC1(CC)C[C@H](NC(=O)CC(c2ccccc2)c2ccccc2)c2ccccc2O1 223600359 XYCWDQQFYMLSKT-VWLOTQADSA-N 413.561 6.407 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccc(Cl)cc1 224157107 IRMGKJLVMWGJII-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB CC(C)Sc1nnc(NC(=O)c2ccccc2SCc2ccccc2)s1 224450956 CVPBWDRFYBRLJD-UHFFFAOYSA-N 401.582 5.583 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccccc1Cl 224476622 SQEVDXUVHZMSNO-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(OCc2ccccc2Cl)c1 224879955 RRWMPZVCMLJQKN-UHFFFAOYSA-N 421.909 5.690 0 40 HKAB CCc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 224954468 NAFBNGLYWAKNNM-MRXNPFEDSA-N 419.396 5.645 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225600812 NKCDDHOVFBMAKN-SFHVURJKSA-N 423.925 5.808 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c(C)c1 225700430 DCGILEZPQOMUFU-QHCPKHFHSA-N 418.562 5.556 0 40 HKAB Cc1c(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cccc1-c1ccc(C(=O)O)o1 226355526 CBYGQGRWYBMTNS-UHFFFAOYSA-N 422.506 5.203 0 40 HKAB COc1ccccc1CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257239103 HNZRJGZQOXGSOY-NRFANRHFSA-N 424.928 5.224 0 40 HKAB CCOc1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 408628260 VPHFFPVJBXQNPI-UHFFFAOYSA-N 401.915 5.134 0 40 HKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(C)cccc2C(C)C)cc1 408675839 LCXWTXJJLLUVQN-UHFFFAOYSA-N 410.517 6.168 0 40 HKAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408694160 CZVPELRYAYCGAH-FQEVSTJZSA-N 423.896 5.376 0 40 HKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(C)c3)n2)cc1 408696294 ZKDXQEDOCJWLMX-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(Cl)cc2)cc1 408698752 PCZAOFZMQMZSFP-UHFFFAOYSA-N 418.884 5.239 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccccc2)cc1Cl 408698952 QGXADBISLYWCRU-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB COc1ccc2c(Cl)c(C(=O)Nc3cc(Cl)ccc3Cl)sc2c1Cl 408972742 WFAXPTYSABXWPJ-UHFFFAOYSA-N 421.132 6.776 0 40 HKAB COc1ccc2ccc(OC)c(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)c2c1 409007054 NFCDZPDLZWFDCY-JCMHNJIXSA-N 419.502 5.136 0 40 HKAB O=C1N/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1c1ccccc1 409014390 PJTKVSDHEDJRQA-KGENOOAVSA-N 404.853 5.016 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c2ccccc12 409124370 BLQWMEOUBHSMTE-HAVVHWLPSA-N 417.530 5.908 0 40 HKAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c(C)c1 409381806 NPLGCGIZXMMDFT-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB C[C@H]1c2c(F)cccc2CCN1Cc1nc(O)c2cc(-c3ccccc3)sc2n1 515920250 WODATBNJUCTBNC-AWEZNQCLSA-N 405.498 5.322 0 40 HKAB Cc1nc(O)cc(-c2ccc(NC(=O)N[C@@H]3CCC(C)(C)c4ccccc43)cc2)n1 521169760 XYHPVSFRCSIPBF-HXUWFJFHSA-N 402.498 5.092 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)NC3CCCCCCC3)c2)cc1 586575584 DDUYFJMPFSKSRT-UHFFFAOYSA-N 406.570 6.079 0 40 HKAB C[C@H](Sc1nncn1-c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 613876184 KSIGKLDZSTYRQJ-KRWDZBQOSA-N 400.507 5.373 0 40 HKAB COc1ccc([C@H](CC(=O)c2cccs2)Sc2ccc(Cl)cc2)cc1OC 945414 WJNFVWHDJFGFIH-NRFANRHFSA-N 418.967 6.525 0 40 HKAB CC(=O)Nc1cccc(C(=O)O[C@@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)c1 992815 LUXKCSCSUAMDGB-XMMPIXPASA-N 401.462 5.043 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 1256089 ZDQCJNBTFQSMAS-UHFFFAOYSA-N 412.839 5.610 0 40 HKAB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(Cl)cc1 2239367 UKDARBDOGAZOGN-UHFFFAOYSA-N 407.882 5.275 0 40 HKAB COc1ccc(OC)c(/N=c2\ssc3c2-c2cc(C)c(C)cc2NC3(C)C)c1 2260737 NCCZMYBATZGCRV-LNVKXUELSA-N 412.580 6.004 0 40 HKAB O=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1 2292065 QOIYPCDETYQIBG-UHFFFAOYSA-N 411.686 5.469 0 40 HKAB COc1cccc(Oc2c(C)oc3cc(OCc4ccccc4Cl)ccc3c2=O)c1 2414683 LPTDNOCFBPOPFF-UHFFFAOYSA-N 422.864 6.135 0 40 HKAB biogenic Cc1ccc(C2=C[C@@](C)(c3ccc(C)cc3)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1 2616085 IWGUQTXRUVPWAD-LJAQVGFWSA-N 419.572 6.879 0 40 HKAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(OCc2ccccc2)cc1 2653801 IUKKWRCYASAXKW-UHFFFAOYSA-N 400.503 5.570 0 40 HKAB Clc1cccc(-n2cc(-c3ccccc3)c3c(NCc4ccccc4)ncnc32)c1 2714641 OOHWMEKZEVECFL-UHFFFAOYSA-N 410.908 6.353 0 40 HKAB COC(=O)c1cccc(Cn2nc(-c3ccc(F)cc3)c(C)c2-c2ccc(F)cc2)c1 2733580 JPEFSYBQERLOJP-UHFFFAOYSA-N 418.443 5.639 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cccc(Oc2ccccc2)c1 3071862 KGROROPOPTXMOH-UHFFFAOYSA-N 422.509 7.008 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(NC(=O)C(F)(F)F)cc1 3117569 IOZIZOCLUGNJKD-UHFFFAOYSA-N 410.701 5.112 0 40 HKAB CC(C)(c1ccccc1)c1ccc(OC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3165731 DVDYPHFWRGNLIG-UHFFFAOYSA-N 400.305 6.930 0 40 HKAB C[C@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)[C@H](c1cccs1)N1CCCC1 3211462 DDJIYRDWTPYEFY-YVEFUNNKSA-N 414.427 5.567 0 40 HKAB O=S(=O)(O)c1cccc2c(Nc3cccc(O)c3)ccc(Nc3ccccc3)c12 3848523 UCPCDCVHTBYJRK-UHFFFAOYSA-N 406.463 5.279 0 40 HKAB biogenic CCCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1 4832506 KESUEOBEFXVZPQ-UHFFFAOYSA-N 400.482 5.160 0 40 HKAB Cc1ccc2oc(-c3cc(NC(=O)c4ccc(C(C)C)cc4)ccc3Cl)nc2c1 4866708 MZHKOEVNZUMTCQ-UHFFFAOYSA-N 404.897 6.832 0 40 HKAB Cc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)[C@H](c3ccco3)C2)cc1 4871922 SBDIFSNCNUILMO-IBGZPJMESA-N 409.283 5.342 0 40 HKAB C[C@@H]1CN(C(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)C[C@@H](C)O1 6586556 ZGMNPTIGJMCISU-WOJBJXKFSA-N 422.528 5.818 0 40 HKAB Cc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1 6966411 DSVAZRIBNIPLKR-MUUNZHRXSA-N 418.540 6.669 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](Nc1ccc2nc(C)sc2c1)c1ccccc1 7241982 LXPRVVIZSODJJK-HSZRJFAPSA-N 417.534 5.795 0 40 HKAB O=C(c1ccc(F)cc1)N(CCCn1ccnc1)c1nc2c(Cl)cccc2s1 7424453 BSLRTYIWKZNNLK-UHFFFAOYSA-N 414.893 5.022 0 40 HKAB Cc1cc(/C=C2/C(=O)N(C)c3ccccc32)c(C)n1-c1sc2c(c1C#N)CCCC2 8334780 YZKWHORXOCJHRC-DEDYPNTBSA-N 413.546 5.423 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccc3c(c2)OCCO3)on1 8830956 QOWMDZAHZAIMOC-UHFFFAOYSA-N 424.762 5.037 0 40 HKAB O=C(/C=C/c1ccccc1)NCCc1nc2ccccc2n1CCC1CCCCC1 9667617 MKEUGBLRWADKEZ-FOCLMDBBSA-N 401.554 5.379 0 40 HKAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 9694991 GYSRLFGSQYNRBT-UHFFFAOYSA-N 408.306 5.728 0 40 HKAB COc1ccc(/C=C/C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 10120404 QBUARXZZOGCSQC-MDWZMJQESA-N 412.489 5.450 0 40 HKAB CCc1ccc2nc(Nc3ncc4c(n3)C[C@H](c3cccs3)CC4=O)nc(C)c2c1 10157481 APYSQKPZYKIKCO-HNNXBMFYSA-N 415.522 5.008 0 40 HKAB Cc1nc(COc2cccc(/C=C/C(=O)N[C@@H](C)c3ccc(F)c(F)c3)c2)cs1 10307350 ZDFRPLUCXHMZSZ-MRZGDXHCSA-N 414.477 5.199 0 40 HKAB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Cl)cc1Cl 10542692 NAGVMELWMRVHBM-UHFFFAOYSA-N 404.268 5.642 0 40 HKAB COc1ccc2cc([C@H](C)C(=O)Nc3ccc(N4CCCC4=O)c(C)c3)ccc2c1 11746328 AOGKOFKPTRUWJJ-KRWDZBQOSA-N 402.494 5.026 0 40 HKAB CC(C)Oc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 12023792 YTRNXEASJGQJIJ-UHFFFAOYSA-N 411.505 5.257 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N[C@@H](C)c2ccccc2)cc1 12419412 DATRELRAOYMALU-INIZCTEOSA-N 408.479 5.249 0 40 HKAB COc1ccccc1-c1nc(CN2CCCC[C@H]2c2nc3ccccc3s2)cs1 12567431 HITMQLBZAUCTRQ-IBGZPJMESA-N 421.591 6.156 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 12599656 RLBIDTCWEJEYCH-YGOYIFOWSA-N 408.538 5.443 0 40 HKAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC12CC3CC(CC(C3)C1)C2 12760474 DQOXAWOUGQKIMK-UHFFFAOYSA-N 416.974 5.003 0 40 HKAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 13684561 MPAWWLKPWCEYJX-FQEVSTJZSA-N 416.521 5.120 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 14153993 QDXDYQAPQBRMEY-UHFFFAOYSA-N 402.346 6.846 0 40 HKAB Cc1ccc2c(c1)c1c3n2CCN(S(=O)(=O)c2ccc4ccccc4c2)[C@H]3CCC1 15108743 IZJMNYHRJMXBQT-DEOSSOPVSA-N 416.546 5.185 0 40 HKAB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2)o1 16039351 GQAIFZKRTCDEPV-IUODEOHRSA-N 411.955 5.627 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)CC3CCCC3)c2)cc1 17154609 IKBFDXVWOCJIBX-UHFFFAOYSA-N 400.906 5.510 0 40 HKAB Cc1cccc(CSCCNC(=O)c2ccc(CSCc3ccccc3)cc2)c1 19887535 VZWGONPCIOJYAC-UHFFFAOYSA-N 421.631 6.092 0 40 HKAB COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1-c1ccc(CO)o1 20141360 DLSWVRGPKZPXNJ-UHFFFAOYSA-N 422.264 5.015 0 40 HKAB CN(Cc1cc(-c2ccc(Cl)cc2Cl)no1)Cc1nc2ccccc2s1 22190105 KPJFCKNXYRTERD-UHFFFAOYSA-N 404.322 5.890 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2cccc3ccccc23)cc1OCC 22530337 UTFLGBYZIYAUGK-GCJKJVERSA-N 421.537 5.672 0 40 HKAB Cc1cc(OCC(=O)N(Cc2ccccc2Cl)c2ccccn2)ccc1Cl 28291364 QRNBTBFDXZMKIR-UHFFFAOYSA-N 401.293 5.309 0 40 HKAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 31381830 AKYNKTYYJQFLDG-QGZVFWFLSA-N 413.546 5.464 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H]1CCSc2ccccc21 32339328 PVOVSEUXUVJYEF-HNNXBMFYSA-N 419.333 5.924 0 40 HKAB CCCCn1c(SCc2nc(-c3ccc(C)cc3)oc2C)nc2ccccc2c1=O 32984652 GZHVUWNNAYACEP-UHFFFAOYSA-N 419.550 5.761 0 40 HKAB O=C(NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12)[C@H]1CCCO1 32994595 ZFZHPSLUDNOEEF-LADGPHEKSA-N 410.517 5.262 0 40 HKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)c1 33691841 IPTGXCWAZIHYDY-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB COc1ccccc1-c1ccc(CNCC2(c3cccc(F)c3)CCOCC2)cc1 35316531 BMMYCROSSAIKHG-UHFFFAOYSA-N 405.513 5.339 0 40 HKAB Fc1ccc(CSc2nccn3nc(-c4ccc(Br)cc4)cc23)cc1 35480854 BIKYXCPJEBZCDC-UHFFFAOYSA-N 414.303 5.590 0 40 HKAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1nc(Cl)ccc1Cl 36697859 XKOCAQQLKNFKEO-MRXNPFEDSA-N 410.304 5.432 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=O)c1ccc(CN3CCCCCC3)cc1)CC(C)(C)O2 44855566 WATYWFKUCCLRLX-HSZRJFAPSA-N 422.569 5.103 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)n[nH]2)c(OC)c1 57412888 FERMJCJJFLUCGR-UHFFFAOYSA-N 415.449 5.139 0 40 HKAB CCc1cc(C(=O)Nc2nc(-c3cn(CCOC)c4ccccc34)cs2)cs1 57775347 YUYGPKGANQQSKN-UHFFFAOYSA-N 411.552 5.287 0 40 HKAB O=C(Nc1cccc(-c2cnco2)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1 65553143 FZFDWKLCFKHDDM-UHFFFAOYSA-N 408.379 6.280 0 40 HKAB CCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(OC(C)C)cc2)s1 71326588 CRKBWCKLLIVOHR-UHFFFAOYSA-N 409.555 5.475 0 40 HKAB Cc1cc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)c(C)n1CC(F)(F)F 89575702 RAMYFTICCWPUMO-UHFFFAOYSA-N 413.871 5.563 0 40 HKAB CCC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccc(C)c1 97104917 YXRUMRAQUNNUTQ-QHCPKHFHSA-N 424.504 5.528 0 40 HKAB Cc1cc(Oc2ccc(NC(=O)C3[C@@H]4CCCC[C@@H]34)cc2)cc(C2CCNCC2)n1 100224483 WBNPUCPODDVVIU-FGZHOGPDSA-N 405.542 5.024 0 40 HKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 106721015 VWQAOOIUOAMJSS-WQRHYEAKSA-N 422.333 6.019 0 40 HKAB Cc1ccc(-c2ccc(CCC(=O)O)n2CCOc2ccc(C(C)(C)C)cc2)cc1 107664708 MRHCQOORDPZIGU-UHFFFAOYSA-N 405.538 5.857 0 40 HKAB O=C1CC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)Oc2ccc(Cl)cc21 170550369 LUBGOCQNHLEQHU-UHFFFAOYSA-N 405.281 5.025 0 40 HKAB Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 223106606 NCGLIUOXJDVBSD-RPWUZVMVSA-N 416.594 5.486 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1C1CCCCC1 223113758 JOOMICRYLPGZKF-PKTZIBPZSA-N 403.551 5.647 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1C(C)C 223267114 QRGOQOPZLXRUNJ-HZPDHXFCSA-N 405.991 6.138 0 40 HKAB COc1ccccc1OCCNC(=O)c1ccc(CSc2ccc(C)cc2)cc1 223458243 CHHXGQWBYJMLON-UHFFFAOYSA-N 407.535 5.105 0 40 HKAB O=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)oc1ccccc12 224178135 MUSAJMMVHCDZJI-UHFFFAOYSA-N 406.290 5.835 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1C 224284593 NOMDBLOOQIIZSB-ZEQRLZLVSA-N 416.594 5.792 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1cc(C)cc(C)c1 224531006 OFTWWZFHEKGWGP-UHFFFAOYSA-N 417.549 6.404 0 40 HKAB CC(C)(Cc1ccccc1)NC(=O)COc1ccc(C(C)(C)C)cc1Br 224774533 LGVAVWKFDHYIKV-UHFFFAOYSA-N 418.375 5.263 0 40 HKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 225084445 MMQWPEOMMJOYIP-VXKWHMMOSA-N 422.613 5.383 0 40 HKAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 225377596 VRMRCKKZWCPRSO-INIZCTEOSA-N 413.543 5.046 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCCC2)ccc1O[C@@H](C)CC 225755672 HCRLNNRJUYWTRS-IBGZPJMESA-N 423.553 5.881 0 40 HKAB O=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1cc(-c2ccc(F)cc2)c[nH]1 244970131 HLCVGTXQSGQMOH-UHFFFAOYSA-N 404.470 5.042 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)c1 408563279 KYFIHYHQKRALKE-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccc(Cl)cc3C)sc2n1 408616823 ACFBPZSNWMWUPB-UHFFFAOYSA-N 418.975 5.228 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccnc3)cc2-c2ccc3ccccc3c2)c1 408724039 CVMWMWMQJSAPQF-UHFFFAOYSA-N 404.473 5.648 0 40 HKAB COc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCc1cccc2ccccc12 408884680 UUROQPBLTKRWRX-ODLFYWEKSA-N 424.909 5.219 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1cccc(Br)c1)N2 408996849 FFVFSFYQIHMUFI-HJNYFJLDSA-N 420.306 5.618 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)cc1C 409131720 JQWRPMXXUZANHG-DHYWSWINSA-N 422.572 6.852 0 40 HKAB Cc1ccccc1NC(=O)COc1ccc(CNc2cccc(Cl)c2)cc1Cl 409375607 MZORJLXRDOAZSQ-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1-c1ccccc1 633001 GBFGUADYCDQQAK-UHFFFAOYSA-N 407.395 5.810 0 40 HKAB COc1ccc(-c2ccc3c(N)c(C(=O)N[C@H](C)c4ccccc4)sc3n2)cc1 661579 AGWADSCZVJUURE-CQSZACIVSA-N 403.507 5.045 0 40 HKAB COc1ccc(C(=O)[C@H](C)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 992991 UHKCDARKXGLZIX-HNNXBMFYSA-N 409.869 5.251 0 40 HKAB Cn1c(-n2c(-c3ccc(Cl)cc3Cl)nc3ccccc3c2=O)nc2ccccc21 1296399 JFEWFSJPGIYHNP-UHFFFAOYSA-N 421.287 5.246 0 40 HKAB COc1cnc(SCc2ccc(Cl)c(Cl)c2)nc1Oc1ccc(F)cc1 1388688 VJBPRUMVIWRVHX-UHFFFAOYSA-N 411.285 6.016 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)c1ccccc1 1764048 SONUGXZUCZDYNQ-UHFFFAOYSA-N 400.261 5.242 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 1794888 MJFJMWUUXRINAW-MKMNVTDBSA-N 400.503 5.932 0 40 HKAB Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2Sc2ccccc2)cc1 1796387 NYEGDEVVSVPPNK-UHFFFAOYSA-N 402.441 6.809 0 40 HKAB Cc1cc(OCc2cccc(C(F)(F)F)c2)c2c(-c3ccccc3)cc(=O)oc2c1 1902810 HPUIRPFZUFNDQK-UHFFFAOYSA-N 410.391 6.366 0 40 HKAB CCC(=O)NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 2321308 CSPHULUOTWJBHU-UHFFFAOYSA-N 409.898 5.524 0 40 HKAB CCn1c2ccccc2c2cc(N[C@H]3OC(=O)c4c3ccc(OC)c4OC)ccc21 2422774 JRYFARVSHPEETH-QHCPKHFHSA-N 402.450 5.113 0 40 HKAB Cc1oc2cc(OCc3cccc(Cl)c3)ccc2c(=O)c1-c1ccc(Cl)cc1 2427359 BRBTVYZPZYBZCP-UHFFFAOYSA-N 411.284 6.654 0 40 HKAB biogenic O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccc(Cl)cc1Cl 3349624 DPFQVZNKAURPQS-UHFFFAOYSA-N 415.276 5.533 0 40 HKAB CC[C@@](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)(C(=O)c1ccccc1)c1ccccc1 3846427 WIASCYIKGZAQQR-PKDYZCKRSA-N 406.566 6.221 0 40 HKAB Cc1ccc2nc(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)sc2c1 4275468 FVPHNSAFUVBZID-UHFFFAOYSA-N 407.545 6.195 0 40 HKAB O=C1c2ccccc2[C@H](NC2CCCCCCCCCCC2)N1Cc1ccccc1 4598888 JEZXUTVEGGFUAX-AREMUKBSSA-N 404.598 6.604 0 40 HKAB CCCCCC[C@H](C)NC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 4742937 RJDOYMNHOACIKQ-AVRWGWEMSA-N 417.553 5.188 0 40 HKAB Fc1cccc(Cl)c1CSc1nnc(-c2cccnc2)n1Cc1ccco1 4985959 ICNCXTGBOOYRFS-UHFFFAOYSA-N 400.866 5.066 0 40 HKAB Cc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H](c3ccccc3)C=C[C@H]2c2ccccc2)cc1 5363232 NOCDKRIOXMJXFY-LIONHTAISA-N 411.501 5.388 0 40 HKAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1 5838795 BWNCSSVOQOCFAY-LJQANCHMSA-N 417.431 5.095 0 40 HKAB Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@H](C)N2S(=O)(=O)c1cccc(Cl)c1 6034402 BCGJJEZJPSFDFT-LAUBAEHRSA-N 411.954 5.768 0 40 HKAB COc1ccc2nc(NC(=O)/C=C/c3cc(Cl)cc(Cl)c3OC)sc2c1 6275245 SOCAABCLXDJOJS-ZZXKWVIFSA-N 409.294 5.272 0 40 HKAB CCCn1c(C)cc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c1C 6532066 OQVYORDWVYFEPK-UHFFFAOYSA-N 408.571 5.007 0 40 HKAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCCCC2)c1nnc(-c2cccs2)o1 6843093 QMGUYYCWXZCURT-AWEZNQCLSA-N 419.506 5.533 0 40 HKAB CC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3nnc(-c4ccco4)o3)cc2)cc1 6906447 QCIOIGGIJWHOKS-UHFFFAOYSA-N 417.465 5.458 0 40 HKAB O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(Cl)ccc1Cl 7405714 ANQSADQGWGZJAJ-UHFFFAOYSA-N 404.624 5.466 0 40 HKAB CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc(C)cc1 8090300 JESRPQQDZLTYKS-UHFFFAOYSA-N 416.550 5.081 0 40 HKAB CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 8728214 OKCPZDHTIMFYKW-QHCPKHFHSA-N 418.562 5.641 0 40 HKAB CC[C@@H](C)c1ccc(OCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1 8737912 QRRHVNBZWWIWCV-CYBMUJFWSA-N 416.934 5.928 0 40 HKAB CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O 9543528 HHRZKRRHXOBBFF-UHFFFAOYSA-N 420.292 5.531 0 40 HKAB Cn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 9593093 SDTYCQJKAHYZBK-UHFFFAOYSA-N 414.745 5.647 0 40 HKAB Cc1cccc(Cn2c([C@H]3CC(=O)N(Cc4ccc(F)cc4)C3)nc3ccccc32)c1 12539662 QDAOGJPFLZYGNX-NRFANRHFSA-N 413.496 5.048 0 40 HKAB COc1cccc(-c2cc(CNC(=O)C3(c4ccc(Cl)cc4)CCCC3)no2)c1 12637455 CKQFLGZBQJULLT-UHFFFAOYSA-N 410.901 5.132 0 40 HKAB COc1ccc(C)cc1NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C 12861075 RHNQYSXWOLVTNI-UHFFFAOYSA-N 402.903 5.253 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(C)c1Cl 14396765 ZZQJQKZPRRVFGY-NSHDSACASA-N 406.231 6.035 0 40 HKAB Cc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 16750800 UPRBYEZBUJRDCQ-IBGZPJMESA-N 420.465 5.064 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccc3c(Cl)cccc23)sc2c1CCCC2 17089726 HJXCNDUMTWBMFE-UHFFFAOYSA-N 413.926 5.863 0 40 HKAB CC1CCN(Cc2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)CC1 20111755 UBCRTHPEGBADCR-UHFFFAOYSA-N 400.522 5.963 0 40 HKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 20453215 GWPAFHGFSHXVHZ-LJQANCHMSA-N 408.542 5.080 0 40 HKAB CC(C)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c(Br)c1 20495311 MCSHHNXJMKGQCK-LJQANCHMSA-N 402.332 5.145 0 40 HKAB CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2)cc1 20970330 MSDROWPVVCMDSR-DEOSSOPVSA-N 424.504 5.363 0 40 HKAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 24860483 SPHUOVGJRTUDHT-UHFFFAOYSA-N 414.431 5.200 0 40 HKAB Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccccc1Cl 27587716 LKMOXHFHRUPHHJ-KRWDZBQOSA-N 403.913 5.537 0 40 HKAB Cc1cc(C)cc(O[C@@H](C)C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)c1 28290844 BKLLHZIJOSBYQS-KRWDZBQOSA-N 412.892 5.492 0 40 HKAB Nc1c(C(=O)Nc2ccccc2)c2ccccc2n1C(=O)c1ccc(Cl)c(Cl)c1 28535149 ACVMIETZOMIUJF-UHFFFAOYSA-N 424.287 5.471 0 40 HKAB CC(C)[C@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC(=O)C[C@@H]1C[C@H]3O 33777546 FGKQZAUZOBFLBY-GGBHDQTRSA-N 418.662 5.618 0 40 HKAB O=C(Nc1cnc(-c2cc(C(F)(F)F)ccc2Cl)cn1)c1c(F)cccc1F 34661334 LWJKSVUJZBEXCH-UHFFFAOYSA-N 413.733 5.346 0 40 HKAB CC(C)C(=O)Oc1ccc(CO)cc1[C@@H](CCN(C(C)C)C(C)C)c1ccccc1 44020354 DCCSDBARQIPTGU-QHCPKHFHSA-N 411.586 5.381 0 40 HKAB biogenic,in-vitro Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(F)c4)nccn3n2)cc1C 67289850 RCFLHCPIVGZTAU-UHFFFAOYSA-N 420.513 5.191 0 40 HKAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C(F)(F)F)c2)n1 67296799 JJFFNCWSMPWQGK-SLMZUGIISA-N 423.394 5.640 0 40 HKAB Brc1cccc(-c2csc(Nc3ccccc3Br)n2)c1 67321933 DVORJZFUTANBHO-UHFFFAOYSA-N 410.134 6.079 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)C3CCN(c4ccc(Cl)cn4)CC3)cn2)cc1 69538912 UIEKUELQUQMVIB-UHFFFAOYSA-N 422.916 5.086 0 40 HKAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccccc2OCc2ccccc2F)S1 85412265 XIEAMKGPTGTQND-FQEVSTJZSA-N 411.502 5.362 0 40 HKAB OC1=C2C(=Nc3nonc3N[C@H]2c2cccc(O)c2)C[C@H](c2ccc(Cl)cc2)C1 102741902 IPZVVDZDIAOFCN-DJJJIMSYSA-N 408.845 5.058 0 40 HKAB CC[C@H](C)c1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)c3ccccc32)cc1 102898304 SGNJGVVUDZAAFM-HLNOYYKJSA-N 424.544 6.457 0 40 HKAB CCOc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OC(F)F 106707568 ADVWHNCEGQRAEV-WQRHYEAKSA-N 419.449 5.232 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC 107590191 TYVOGLUMJGVRLH-UHFFFAOYSA-N 419.102 5.416 0 40 HKAB CCc1ccccc1O[C@@H](C)C(=O)NCCSCc1c(Cl)cccc1Cl 216426138 MCGPNHLDFGNHPF-AWEZNQCLSA-N 412.382 5.373 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccc2ccccc2c1 224312449 GTJUNTZDDXBMCB-UHFFFAOYSA-N 417.892 6.333 0 40 HKAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCc1c(Cl)cccc1Cl 225364409 DHCGJVVSKIZTLK-UHFFFAOYSA-N 424.715 5.288 0 40 HKAB CCOC(=O)c1cccc(NC(=S)NCCCSCc2ccccc2Cl)c1 225607469 AWBMBPZYTKIEHG-UHFFFAOYSA-N 423.003 5.127 0 40 HKAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225699856 PMABKURIJQUDRM-YKSBVNFPSA-N 404.595 5.111 0 40 HKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1 225836114 DLGFRLAZEBZBLL-UHFFFAOYSA-N 403.404 5.450 0 40 HKAB S=C(Nc1ccc(Br)c(Cl)c1)NC1(c2cccs2)CCCC1 225859950 DUJKCSBPVHWUOF-UHFFFAOYSA-N 415.809 5.920 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c(C)n1 225864058 GYYRYRNDFCJVBS-UHFFFAOYSA-N 421.368 6.326 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Sc2ccc(Cl)cc2)cc1 226398503 LAKVKYNDFCWXOZ-COXXTLHVSA-N 407.922 5.049 0 40 HKAB CC(C)n1nccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257246223 ITDHIIYRCMAUIA-IBGZPJMESA-N 412.921 5.064 0 40 HKAB Cc1ccc(Oc2ccccc2C(=O)N(CC(=O)O)Cc2ccccc2Cl)cc1 257266790 MENXOYCTAGXUQU-UHFFFAOYSA-N 409.869 5.168 0 40 HKAB CC(C)CN1C(=O)N(c2ccc(F)cc2)[C@@H]2[C@H](c3ccc(F)cc3F)CCCC[C@@H]21 257338428 YXJKMXIQMLCMAN-ACIOBRDBSA-N 416.487 6.097 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2ccccc2)cc1 408695818 SQKCHEHEZFXIHX-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2ccc(C)cc2C)cc1 408697810 JTNZGYOSESQJQT-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc(C)oc2C)sc(C)c1-c1ccc(F)cc1 649222 VZRBNCBIPYCEGU-UHFFFAOYSA-N 401.459 5.501 0 40 HKAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(C(F)(F)F)cc4)c(N)c3cc2C1 661809 PGPHKLOTTKXGBR-NSHDSACASA-N 419.472 5.665 0 40 HKAB COc1cccc(C(=O)N(c2ccccc2)[C@@H]2C[C@@H](C)N(C(C)=O)c3ccccc32)c1 713020 HXHUJYWBFHSGAR-IQGLISFBSA-N 414.505 5.228 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(OCc2ccccc2)c1 847528 HJWWIBPVKDFUDI-UHFFFAOYSA-N 419.484 6.061 0 40 HKAB O=C(CSc1nc(-c2ccc(Cl)cc2)nc2ccccc12)Nc1ccc(F)cc1 888323 DAVUKWYFSDLIOW-UHFFFAOYSA-N 423.900 5.820 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccccc1Cl 1883834 JETJLWZBMVTTMD-UHFFFAOYSA-N 404.680 6.130 0 40 HKAB Cc1ccc([C@@H](CC(=O)N[C@H](C)CCc2ccccc2)c2ccccc2)c(O)c1C 2105783 MCNPFDTVKKNCNO-NLFFAJNJSA-N 401.550 5.669 0 40 HKAB biogenic Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1ccc(Oc2ccccc2)cc1)C3 2120246 ABIQFFOPCMTOJJ-UHFFFAOYSA-N 413.473 5.867 0 40 HKAB biogenic CN(C)C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1 2235236 FXTAZWYKXIJPQR-UHFFFAOYSA-N 411.763 5.193 0 40 HKAB COc1ccc(N2N=C(C(C)=O)N(C3CCCCC3)[C@@H]2c2c[nH]c3ccccc23)cc1 2295714 NKRNTJWYFUWBJU-VWLOTQADSA-N 416.525 5.233 0 40 HKAB COc1ccccc1NP1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 3174615 IJBWLJRNMXIFAA-UHFFFAOYSA-N 405.459 7.129 0 40 HKAB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cccc(C(F)(F)F)c1 3201134 HKEIJPAHVIUCBL-UHFFFAOYSA-N 414.408 5.940 0 40 HKAB Cc1ccc(CNC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1 3309036 CKLHKCWTQSSGEX-UHFFFAOYSA-N 417.509 5.153 0 40 HKAB COc1cccc(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)c1 3358076 OQUYBMWMPJWOLG-UHFFFAOYSA-N 414.486 5.302 0 40 HKAB S=C1NC(c2ccc(OCc3ccccc3)cc2)=C[C@H](c2ccccc2Cl)N1 3672176 OGYDKECXQLNLRV-JOCHJYFZSA-N 406.938 5.479 0 40 HKAB CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCC(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 4081532 YDDVOKKQEBUWJE-OYNGNBGDSA-N 414.630 6.502 0 40 HKAB biogenic Nc1c(C(=O)NCc2ccccc2)sc2nc3c(c(-c4cccs4)c12)CCC3 4188596 IELNAGIHLXVCDT-UHFFFAOYSA-N 405.548 5.026 0 40 HKAB CC(C)Cc1ccc(-c2cc(C(=O)N[C@H]3CCCC[C@@H]3C)c3ccccc3n2)cc1 4651278 FANVPZURCOPVCG-CYFREDJKSA-N 400.566 6.409 0 40 HKAB O=C(Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12)c1ccc(F)cc1 5106995 IGMFHGKUNJJZBH-UHFFFAOYSA-N 410.351 5.355 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 5173237 BNYZQXKVJJOWDA-UHFFFAOYSA-N 408.885 5.633 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2CC)cc1 5478603 WDVTUHMAMOVBMS-QGZVFWFLSA-N 424.570 5.121 0 40 HKAB CCCC1(CCC)NC(=O)N(Cc2ccc(-c3ccc(Br)cc3)o2)C1=O 6078919 MOQIQTAYOWPSLX-UHFFFAOYSA-N 419.319 5.100 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccc(OC)c(OC)c3)c3ccccc3n2)cc1 6377811 FTXNJQNXNQIVJJ-UHFFFAOYSA-N 414.461 5.180 0 40 HKAB COc1cc(/C=C/c2nc3c(ccc4ccccc43)s2)cc(Br)c1O 6580200 HGWZRYNCEPFYDQ-RMKNXTFCSA-N 412.308 6.097 0 40 HKAB CCCN(C(=O)c1cccs1)c1nc(-c2ccc(Br)cc2)cs1 6826225 DKVGIYXEJHBPHC-UHFFFAOYSA-N 407.358 5.691 0 40 HKAB Cc1cc2sc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)nc2cc1Cl 6826399 IXDWVHHNLLMMGN-UHFFFAOYSA-N 403.960 5.508 0 40 HKAB CCCCCNCc1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1 7261229 AHWWYOQSCVRYCO-UHFFFAOYSA-N 424.354 5.846 0 40 HKAB CCc1ccc([C@H](N[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c2cccc(F)c2)cc1 7285960 TVDVSSMCJNVHMF-HJPURHCSSA-N 401.485 5.065 0 40 HKAB Cc1[nH]c2ccccc2c1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)[nH]1)C(=O)O 7603283 CXTGUQUMWSTHLL-YVLHZVERSA-N 410.886 5.133 0 40 HKAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2Nc2ccc(F)cc2)CC1 8232583 CGJJHRHRVDIRBH-UHFFFAOYSA-N 417.484 5.060 0 40 HKAB CC[C@H](C)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 8326692 IFUAMXXDINVNMY-LBPRGKRZSA-N 417.174 6.223 0 40 HKAB O=C(COc1ccccc1-c1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 8405962 ZDRDYZBOWWTCDN-NRFANRHFSA-N 414.530 5.706 0 40 HKAB Cc1cc(C(F)(F)F)nc2sc(C(=O)c3ccc4c(c3)Cc3ccccc3-4)c(N)c12 8412208 OQTXPOLKBWMFLU-UHFFFAOYSA-N 424.447 6.008 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccccc12 8445941 IMWREHPEZAEZDA-UHFFFAOYSA-N 419.937 5.989 0 40 HKAB O=C(c1cccs1)N1CCc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2C1 9036950 BHFXXFRDXRFEMJ-UHFFFAOYSA-N 420.578 5.102 0 40 HKAB CCc1ccc(N(C(C)=O)c2nc(CN3CCC[C@@H]3c3cccs3)cs2)cc1 9451053 XTKWUWZTQFBHKA-HXUWFJFHSA-N 411.596 5.789 0 40 HKAB FC(F)(F)c1cc(Cl)c2nnc(SCc3ncc(-c4ccccc4)o3)n2c1 9464405 FCNYWSWAOVOYFM-UHFFFAOYSA-N 410.808 5.349 0 40 HKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(-c2cn3c(n2)SCC3)c1 9518918 NREZVPWECBZHST-UHFFFAOYSA-N 418.547 5.340 0 40 HKAB COc1ccc([C@@H](NC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C(C)C)cc1 9867873 KCVIYNVGDMTHGO-DEOSSOPVSA-N 406.526 5.396 0 40 HKAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 10336155 BQEYAJLNSLUGKS-UHFFFAOYSA-N 418.562 5.760 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccccc1Cl)C2=O 11667465 CNJPGFFQFAETRQ-QDOJQPNNSA-N 410.985 6.226 0 40 HKAB Clc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(Br)cc3)c2c1 12082734 HKDINPLWGHMFGF-LYBHJNIJSA-N 410.698 6.748 0 40 HKAB Cc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Cl)cc1C)C(C)(C)N2C 13162034 NZAWPOKSBBNWHD-ATJXCDBQSA-N 401.000 6.664 0 40 HKAB COc1ccc(OC)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)c1 13786424 MUHGJSQSIWIOBS-DHLKQENFSA-N 400.478 5.255 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccccc1C(F)(F)F 14502171 HVRANYDMTSPQBA-UHFFFAOYSA-N 417.239 6.388 0 40 HKAB CCn1nnc2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccc(OC)cc3)ccc21 14866773 FTIVCFMHLJVGLP-UHFFFAOYSA-N 422.872 5.158 0 40 HKAB CCOc1ccc([C@H]2CCCN2C(=O)c2cc(Cl)c(OCC)c(OC)c2)cc1 16141790 QKSWGVBTQNTXBF-LJQANCHMSA-N 403.906 5.123 0 40 HKAB O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1cccc2c(Cl)cccc12 17093739 QUBKQMDBOZXUSK-UHFFFAOYSA-N 423.950 5.744 0 40 HKAB CCCCCC[C@@H](O)C/C=C/CCCCCCc1c(C(=O)OC)nc(=S)[nH]c1O 17176666 VMPUSPLQIAFVDX-XLNAKTSKSA-N 424.607 5.402 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1cccc(Cl)c1)CC2 18174498 DTDAWANOYJNXGE-QHCPKHFHSA-N 422.912 5.537 0 40 HKAB CCN(CC)c1ccc(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)cc1 18184941 HFLGHAMTXUWYAU-UHFFFAOYSA-N 409.555 5.058 0 40 HKAB COc1ccccc1CCC(=O)N1CCC[C@H]1c1ccc(Cc2ccc(F)cc2)cn1 19687941 ZJUXNNGUCPWEMH-DEOSSOPVSA-N 418.512 5.116 0 40 HKAB Cc1ccccc1[C@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 20458143 IYNFRSATNAJXRD-OAQYLSRUSA-N 420.361 5.511 0 40 HKAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 20459892 VASPDRPDVDJGLL-BALBBAFXSA-N 405.538 5.569 0 40 HKAB CC(C)(C)c1coc2cc3oc(=O)c(-c4csc(-c5ccc(F)cc5)n4)cc3cc12 20737089 WEKJXZJXFWRMOW-UHFFFAOYSA-N 419.477 6.766 0 40 HKAB Cc1c(C(=O)Nc2ccc(Cl)cc2)nnc2c(-c3ccccc3)c(C(C)C)nn12 20797911 MRERIGVNXFMITQ-UHFFFAOYSA-N 405.889 5.129 0 40 HKAB Cc1ccc(-c2nc(CSc3nc4ccccc4n4c(C)nnc34)c(C)o2)cc1 21658058 ZDTQZLVDEJLLHB-UHFFFAOYSA-N 401.495 5.150 0 40 HKAB CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNC3CCCCC3)cc12 26440764 OUOHVCYIKJVGRA-UHFFFAOYSA-N 412.965 5.087 0 40 HKAB O=C(NC[C@H](c1cccs1)N1CCCCCC1)C(c1ccccc1)c1ccccc1 27662759 SKBHIUQZYBUXFV-HSZRJFAPSA-N 418.606 5.614 0 40 HKAB C[C@H]1S/C(=C/c2nc3ccccc3s2)N(CC(=O)c2ccc(Cl)cc2)C1=O 33467703 FEOXRUNUTNYMJP-AINDZBIGSA-N 414.939 5.095 0 40 HKAB COc1ccc(C)cc1Nc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)cs1 40556442 HEYSFHVQRSZVHA-UHFFFAOYSA-N 416.572 5.620 0 40 HKAB CC(C)Oc1ccc(NC(=O)COc2ccc(C(C)C)cc2Br)cc1 40942615 IGFIVYFBNHTOAP-UHFFFAOYSA-N 406.320 5.377 0 40 HKAB CC1CCN(C(=O)Cc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)CC1 41127171 MZUNBHTZUFIOFD-UHFFFAOYSA-N 403.309 5.603 0 40 HKAB Fc1cccc(CSc2nc3ccccc3c3nc(Cc4ccccc4)nn23)c1 65534866 CVRJDYOIJXROLL-UHFFFAOYSA-N 400.482 5.300 0 40 HKAB CC1(C)C[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 71787244 KZSPFWUYMYGYBL-ORYMTKCHSA-N 416.608 8.552 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)NCc1nc(-c2ccccc2Cl)no1 95482465 NXPVRLOTYLKEMT-UHFFFAOYSA-N 422.337 5.232 0 40 HKAB OC1=C2C(=Nc3ccccc3N[C@H]2c2c(F)cccc2Cl)C[C@H](c2ccccc2)C1 100425742 BZUIDZMGGAPFRG-LMKMVOKYSA-N 418.899 7.108 0 40 HKAB CC1(C)CC(=C2[C@H]3C=C[C@H]2[C@H]2C=CC(=C4CC(C)(C)NC(C)(C)C4)[C@H]32)CC(C)(C)N1 100476712 JWTSWIHDBSKTDE-NXYDZRKXSA-N 406.658 6.079 0 40 HKAB C[C@@H]1[C@@H](NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)CCC[C@H]1C 102310298 ADILOWWLRFRUNW-XFQAVAEZSA-N 423.557 5.469 0 40 HKAB c1ccc([C@@]23O[C@](c4ccccc4)(c4ccccc42)[C@H]2c4cccc5cccc(c45)[C@@H]23)cc1 103110661 SAYUJFQTOWSBFN-GASGPIRDSA-N 422.527 7.252 0 40 HKAB Fc1ccc(COc2ccc(Cl)cc2CNc2ccc(Br)cc2)cc1 107038957 GNYRRDUOOFGPPF-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1Cl 107646382 QQMRDHIOCNHQHR-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1OCC 222695045 GVUORUYPQHNNNE-MSOLQXFVSA-N 411.542 5.008 0 40 HKAB CC(C)c1ccccc1OCC(=O)NCCSCc1c(Cl)cccc1Cl 222806436 UXXUJTQZOQVIEY-UHFFFAOYSA-N 412.382 5.545 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 223272611 MRIQHBJTBPIXDQ-SVBPBHIXSA-N 413.561 5.937 0 40 HKAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(Cl)cc2Br)cc1C 223450308 NWVGJHXWHYXATR-CQSZACIVSA-N 410.739 5.284 0 40 HKAB COc1ccc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2c1 223686515 ZKYYHZMAENGPGP-UHFFFAOYSA-N 405.475 5.442 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccccc1Cl 224476282 ASUOYQBFQHSYEH-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1CSc1ccc(C)cc1 224660207 BJGVJHVRLCMFQR-IBGZPJMESA-N 405.563 6.177 0 40 HKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225003210 YYOQQGLYIJCBMD-MRXNPFEDSA-N 401.919 5.271 0 40 HKAB COC(=O)c1cc2cc(NC(=S)N[C@@H](C)c3ccc(Cl)cc3)ccc2s1 225214102 GTEHCFNWOLPDCW-NSHDSACASA-N 404.944 5.389 0 40 HKAB CCOc1ccccc1CCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225396175 PTBKGOCHKHCEBN-UHFFFAOYSA-N 416.896 5.677 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 225502220 SVPOINSFPXXOEO-XZOQPEGZSA-N 423.553 5.150 0 40 HKAB Clc1ccc(COc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c(Cl)c1 226295330 GIWFUNSPJCANTO-UHFFFAOYSA-N 404.680 7.034 0 40 HKAB O=C(NC1CCCCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408564297 VDKXLNHWMPBMHT-RUZDIDTESA-N 422.594 5.304 0 40 HKAB CCCOc1ccc(/C=C/C(=O)Nc2ccccc2Oc2ccccc2)cc1OC 408567039 KLNXOJLWQUGMGF-JQIJEIRASA-N 403.478 5.928 0 40 HKAB Cc1ccc(CNC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1 408618897 HYBAVXQGRTVBQV-UHFFFAOYSA-N 402.881 5.067 0 40 HKAB CCCc1sc(NC(=O)c2ccc(OC)cc2)nc1-c1cc(OC)ccc1OC 408830371 PJPRGGQHPPZNCA-UHFFFAOYSA-N 412.511 5.041 0 40 HKAB COc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1 409114361 HFUSETURASCFBZ-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB Cc1ccncc1-c1ccc2c(c1)CNCCCCCCCN2C(=O)c1ccncc1 2037931566 NHJOYPOJNALDSB-UHFFFAOYSA-N 414.553 5.153 0 40 HKAB COc1ccc(OCC(=O)n2c(SCc3ccccc3)nc3ccccc32)cc1 1462100 SULULLLMXJFLFW-UHFFFAOYSA-N 404.491 5.056 0 40 HKAB Cc1ccc(COc2ccc3c(=O)c(Oc4ccc5ccccc5c4)coc3c2)cc1 1772380 DZTCXNBGHRXOIM-UHFFFAOYSA-N 408.453 6.626 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2ccc(C)cc2C(C)(C)C)sc2c1CCC2 1781103 VCSGGLUBSIHSDP-UHFFFAOYSA-N 415.555 5.037 0 40 HKAB O=C(CSc1nc(-c2ccccc2)nc2ccccc12)Nc1cccc2ccccc12 2074067 DJBIOIQVFDTBLX-UHFFFAOYSA-N 421.525 6.181 0 40 HKAB Cc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)Nc3ccccc3)c2c1 2079753 UJIIHGDYGNPEDZ-UHFFFAOYSA-N 400.909 6.733 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCCCC2 2084381 VHGPXDJSMPQAFT-UHFFFAOYSA-N 412.338 5.753 0 40 HKAB CCc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccccc2)cc1 2128414 IDBYQPNNIOPAAL-UHFFFAOYSA-N 421.569 6.942 0 40 HKAB CC(C)(C)[C@H]1CCc2nc3sc4c(O)cc(=O)[nH]c4c3c(-c3cccs3)c2C1 2217763 QOULOHIXBFQYGE-NSHDSACASA-N 410.564 5.723 0 40 HKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(-c2cc(Cl)ccc2Cl)o1 2320345 SIBHAKDGXKUJSZ-UHFFFAOYSA-N 408.284 6.758 0 40 HKAB CCCCCCOC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12 2335938 FHOMDTFSGUDJDP-UHFFFAOYSA-N 402.498 5.201 0 40 HKAB COC(=O)c1ccc(COC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)o1 2648085 VFIHBNHKFJXQJE-UHFFFAOYSA-N 404.340 5.109 0 40 HKAB Cc1ccc(NC(=O)[C@H](OC(=O)/C=C/c2cccs2)c2ccccc2)cc1Cl 3224050 RMRXUVODEWWJMU-RJRNSMGGSA-N 411.910 5.646 0 40 HKAB O=C(OCc1cccc(C(F)(F)F)c1)c1ccccc1OCc1ccccc1Cl 3330825 RSJHGWUHMAXCLA-UHFFFAOYSA-N 420.814 6.295 0 40 HKAB Cc1cccc(C)c1N1CC(=O)N(c2ccccc2)[C@H](c2ccc(C(C)C)cc2)C1=O 4090887 IKRVSKOKJJXHDN-AREMUKBSSA-N 412.533 5.548 0 40 HKAB biogenic CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(F)cc1 4676937 KNNGLXREGQFUBJ-UHFFFAOYSA-N 413.920 6.686 0 40 HKAB O=C(Nc1ccc(F)cc1)c1ccccc1N[S@@](=O)C12CC3CC(CC(C3)C1)C2 4689885 LOAUZOIZDXJKLM-DRIKIYOTSA-N 412.530 5.122 0 40 HKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc12)Nc1ccc(F)cc1 4954361 BWLLHKBEEZQWQH-UHFFFAOYSA-N 407.445 5.306 0 40 HKAB CCCCCN1C(=O)N(c2ccccc2)[C@H](N(O)C(=O)Nc2ccccc2)C1(C)C 5249337 DBPPDBBRXOWFSO-HXUWFJFHSA-N 410.518 5.147 0 40 HKAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Cl)c(Cl)c1)c1ccco1 5304945 YVAFWSMQWWZASJ-UHFFFAOYSA-N 400.217 5.612 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nn2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)cc1 5976771 PMZKKCPVIPDZGP-UHFFFAOYSA-N 424.928 5.507 0 40 HKAB CSc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 6218952 RHDHOGXXQITWNC-UHFFFAOYSA-N 402.313 5.342 0 40 HKAB CC(=O)Nc1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2c1 6614643 HGQKSFIVXVKUHO-UHFFFAOYSA-N 401.491 5.025 0 40 HKAB CC(=O)c1cccc(N/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)c3ccccc32)c1 6706677 DPHLUXPUJSXHMW-HZHRSRAPSA-N 410.473 5.146 0 40 HKAB COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1NC(=O)c1cccs1 6906682 LYOLYJUHXISBOC-UHFFFAOYSA-N 421.305 5.568 0 40 HKAB Cc1cc(C(=O)CSc2nnc(C3CC3)o2)c(C)n1Cc1ccccc1Cl 7289212 PAQPFIUTKCYGQV-UHFFFAOYSA-N 401.919 5.042 0 40 HKAB CC(C)[C@@H](NC(=O)CCCCc1nc2ccccc2s1)c1nc2ccccc2[nH]1 8013216 XSDSOWKLXJROEV-JOCHJYFZSA-N 406.555 5.399 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)c1 8335548 YNCSFDJASHYSNM-UHFFFAOYSA-N 418.496 7.031 0 40 HKAB CCN(CC)CCn1c2ccccc2n2cc(-c3ccc(Cl)c(Cl)c3)nc12 8462956 IZESIETXJJMYJQ-UHFFFAOYSA-N 401.341 5.605 0 40 HKAB COc1ccc(CCNCc2ccc(OCc3ccccc3Cl)cc2)cc1OC 8493612 GMHYVJISGHZJHP-UHFFFAOYSA-N 411.929 5.269 0 40 HKAB CC(C)Sc1nc(NCc2cccnc2)c2c3c(sc2n1)COC(C)(C)C3 8617991 CCSNFXYMGRKATH-UHFFFAOYSA-N 400.573 5.050 0 40 HKAB CCCCN(C)c1nc(SC)nc2c1sc1nc(CCC)c3c(c12)CCC3 8625571 SAYULWBUGGMDHE-UHFFFAOYSA-N 400.617 5.639 0 40 HKAB COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2c(F)cccc2Cl)cc1O 9424865 WHHZEFZELMMCDZ-UHFFFAOYSA-N 424.859 5.829 0 40 HKAB CC1CCN(c2ccc(NCc3nc4scc(-c5ccco5)c4c(=O)[nH]3)cc2)CC1 9647911 WZNFARSJJWKWPG-UHFFFAOYSA-N 420.538 5.093 0 40 HKAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)c1ccc(Cl)s1 12139044 IAIFWWKNSLZPHT-UHFFFAOYSA-N 420.890 5.914 0 40 HKAB Cc1cccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1 12491941 SOZGPDRWBRELHC-SFHVURJKSA-N 424.488 5.142 0 40 HKAB aggregator Cc1cc(C)c(NC(=O)c2cc(C)nc3c2cnn3Cc2cccs2)c(Cl)c1 12856573 ZBJKJFGCWUNRPH-UHFFFAOYSA-N 410.930 5.372 0 40 HKAB CC[C@@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 13537542 HCXVJBMSMIARIN-HJHNAFNOSA-N 412.702 7.801 0 40 HKAB Cc1cc(CSc2ccccc2C(=O)N(C)[C@H](C)c2nc3ccccc3s2)no1 14169717 JMYZBRRFMNDMIQ-OAHLLOKOSA-N 423.563 5.718 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(NC(=O)[C@@H](C)Oc3ccc(C(C)C)cc3)cc2)c1 14553215 MLDBQAWDWFERPO-LJQANCHMSA-N 416.521 5.777 0 40 HKAB COc1cc2ccccc2cc1C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 14636136 RXOKRAZZWYEGFA-DEOSSOPVSA-N 405.494 5.137 0 40 HKAB Cc1ccc2cc(COC(=O)/C=C/c3cccc4cccnc34)c(Cl)nc2c1C 14812492 RLNQOXPPTYTNGA-ZHACJKMWSA-N 402.881 5.810 0 40 HKAB Cc1ccc(-c2c(C(F)(F)F)nn3c(NCCc4ccccc4)cc(C)nc23)cc1 15840011 KBBOBFHGCRPHSB-UHFFFAOYSA-N 410.443 5.687 0 40 HKAB CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O 16776825 MPOJBJDAFJGLAS-YYVWFHOOSA-N 421.544 5.833 0 40 HKAB Cc1ccccc1[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 20108601 TUPFVJWEFWEXTQ-MHZLTWQESA-N 407.513 6.093 0 40 HKAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 22532550 UQUDYXKFBLBAGZ-LJQANCHMSA-N 416.370 5.209 0 40 HKAB Cc1cccc2cc(/C=C3/N=C(c4ccccc4)OC3=O)c(Sc3ccccc3)nc12 27572980 ODEHTMUUIZDRID-CJLVFECKSA-N 422.509 6.039 0 40 HKAB O=C(CCC1CCCCC1)Nc1nn(Cc2ccc(F)cc2)cc1Br 27916981 AQYKEXJFUBXEBK-UHFFFAOYSA-N 408.315 5.132 0 40 HKAB CCOC(=O)/C(C)=C(\C)N/N=c1\cc(-c2ccccc2)c2cc3c(C)coc3cc2o1 30822720 HTRUSDKPOICETI-HCAMEMCOSA-N 416.477 5.417 0 40 HKAB Cc1c(C(=O)Nc2ccccc2Oc2ccccc2Cl)cnn1-c1ccccn1 31893201 TXKFEHBRCXZQIR-UHFFFAOYSA-N 404.857 5.274 0 40 HKAB COc1ccc(/C=C/c2nc3ccccc3nc2OCC(=O)c2ccc(C)c(C)c2)cc1 33590118 SJWURXSJUZWQTQ-RVDMUPIBSA-N 424.500 5.687 0 40 HKAB COc1cccc(CC[C@@H]2CCCCN2C(=O)c2ccc(-n3nc(C)cc3C)cc2)c1 35317112 UDALWBDUUNLWDT-QHCPKHFHSA-N 417.553 5.125 0 40 HKAB Cc1cc(C)n2c(Nc3ccccc3)c(-c3cc(C(C)C)c(O)c(C(C)C)c3)nc2n1 35615730 DCRBTKPMBUGMPU-UHFFFAOYSA-N 414.553 6.709 0 40 HKAB O=C(Nc1ccncc1)c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c12 36618454 XMJOANGKUGIOPX-UHFFFAOYSA-N 410.408 5.343 0 40 HKAB O=C(NCC1CCC(c2nc3ccccc3[nH]2)CC1)c1ccccc1C(F)(F)F 38671641 MWODYZAZWYDCLC-UHFFFAOYSA-N 401.432 5.286 0 40 HKAB Cc1ccc2c(Nc3ccc(F)cc3Cl)c(C(=O)N3CCCCCC3)cnc2n1 49004713 YEBVZSPBPNOWAA-UHFFFAOYSA-N 412.896 5.491 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2c(F)cc(F)cc2F)o1 54476854 NELFGEGUUJBNCA-UHFFFAOYSA-N 403.385 5.410 0 40 HKAB CCOC(=O)/C=C/c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Cl)o1 57327613 OXOZGYRKMWERKX-GQCTYLIASA-N 423.612 5.958 0 40 HKAB C1=C(c2ccccc2)Sc2nc3ccccc3n2[C@H]1NC12CC3CC(CC(C3)C1)C2 57576171 QOFFTRXDOYSPKN-YSRWDZFWSA-N 413.590 6.240 0 40 HKAB CC1=NN(c2ccc(C(=O)Nc3ncc(Cc4ccc(C)c(F)c4)s3)cc2)CC1 65548557 RVWDTVPFKCAKJW-UHFFFAOYSA-N 408.502 5.020 0 40 HKAB C[C@@]1(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1(Cl)Cl 69004256 CYLBERUSNKOPMB-QRWLVFNGSA-N 421.755 5.653 0 40 HKAB CCc1c(Br)c(N)c(Br)c2nc(-c3ccccc3F)oc12 73642732 NNPSFTADJSJTFQ-UHFFFAOYSA-N 414.072 5.304 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 78610433 JGSNZCXAHVFMKX-SFHVURJKSA-N 407.272 5.136 0 40 HKAB Cc1ccc(NC(=O)N(CCO[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C2CCCCC2)cc1 100728992 OPEXHECXYNEPKO-UVWWXKGLSA-N 412.618 6.393 0 40 HKAB N=c1c2c(ncn1Cc1ccccc1)Oc1c(ccc3ccccc13)[C@@H]2c1ccccc1 101127988 BHUCPUICLANGDI-DEOSSOPVSA-N 415.496 5.850 0 40 HKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(F)cc1 107040534 XPMDFRQZACMMPT-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB COc1cccc(C(=O)Oc2ccccc2NC(=O)c2ccc(Cl)cc2Cl)c1 143061831 ZDJDRBDAQKRFKD-UHFFFAOYSA-N 416.260 5.474 0 40 HKAB CC(C)Oc1ccc(CCCNC(=O)c2ccccc2CCc2ccccc2)cc1 219004229 IWCSYPNCFOYEOU-UHFFFAOYSA-N 401.550 5.622 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1ccc3ccccc3c1)CC(C)(C)O2 219030974 KLSPSEFJEGRBCE-AOMKIAJQSA-N 405.494 5.034 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 222925838 NEBKLFFBVANTMT-QFIPXVFZSA-N 411.542 5.737 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1Cl 222936558 ZKJRDOYMQSFNCY-HXUWFJFHSA-N 417.933 5.610 0 40 HKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 222983896 KKFFNQDXCZSKAY-HSZRJFAPSA-N 408.542 5.162 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223098685 SMNFHNPWSCYOJF-JWQCQUIFSA-N 401.550 6.144 0 40 HKAB CCCc1ccc(OCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 223459228 XOYUZJLGRLSEKO-UHFFFAOYSA-N 419.590 6.049 0 40 HKAB Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1N(C)S(=O)(=O)c1ccccc1 224294275 OMSLPLGMNQZMJL-UHFFFAOYSA-N 422.550 5.196 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(C)cc3)c2)cc1 224341892 WPQBFQQFXPUDKV-UHFFFAOYSA-N 419.590 6.891 0 40 HKAB CCCOCc1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1OCC 224710916 JASRPNCQEAYPTQ-UHFFFAOYSA-N 405.494 6.057 0 40 HKAB CC(C)Oc1cccc(CNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 225523510 PXIHFDZYAKWGLK-UHFFFAOYSA-N 402.869 5.633 0 40 HKAB O=C(N[C@@H](c1cccnc1)C1CCOCC1)c1ccc(-c2cccc(Cl)c2)cc1 225619047 BAURTNYQSMUANT-HSZRJFAPSA-N 406.913 5.300 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(OC)c(Cl)c2)cc1 225697508 JZPWOTCAOGSJKO-UHFFFAOYSA-N 418.276 6.055 0 40 HKAB CC(C)c1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)cc1 225783258 LSRUCLOMPAVQPR-UHFFFAOYSA-N 402.317 5.343 0 40 HKAB Cc1cccc(-c2nnc3sc(C4=CCN(Cc5ccccc5Cl)CC4)nn23)c1 226250681 WABVLFKMSCVVBF-UHFFFAOYSA-N 421.957 5.104 0 40 HKAB COc1cccc(C(=S)NCc2cccc(C)c2)c1OCc1ccccc1Cl 408578159 WGTPODYCACOUPZ-UHFFFAOYSA-N 411.954 5.701 0 40 HKAB O=C(CSCc1cccc(Br)c1)Nc1ccc(Br)cc1 408774870 DHWHCVMEHHLVEN-UHFFFAOYSA-N 415.150 5.084 0 40 HKAB CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc12 408869064 QODQSYZMFHKEQQ-BKUYFWCQSA-N 423.921 6.128 0 40 HKAB CCCOc1ccc(C)cc1-c1ccc(C(=O)O)c(COc2ccc(Cl)cc2)n1 585265001 BIXIRPGPVWJLKL-UHFFFAOYSA-N 411.885 5.776 0 40 HKAB Cc1cccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2)c1 712309 BOSXBNSOCHWWHO-XMMPIXPASA-N 400.909 5.918 0 40 HKAB CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Nc1ccccc1 732544 RAAUBCOQLXJNAZ-UHFFFAOYSA-N 419.481 5.380 0 40 HKAB COc1ccc(COc2ccsc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 1400568 QBMHGXYQCKIGQQ-UHFFFAOYSA-N 407.413 5.607 0 40 HKAB CC1(C)c2ccccc2N(c2ccccc2)[C@@]12C=Cc1cc(Br)ccc1O2 2025769 MUWVUQCERYZVPL-XMMPIXPASA-N 418.334 6.681 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1 2131920 BVVQZUQREMZOJT-AWEZNQCLSA-N 402.277 6.192 0 40 HKAB COc1ccc(-c2cc(=O)oc3c(C)c(OC/C=C(/C)CCC=C(C)C)ccc23)cc1 2134477 SGFOETJOCHRQKB-CYVLTUHYSA-N 418.533 6.849 0 40 HKAB biogenic O=C(COc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1)c1ccccc1 2417879 PNYFEKUFFPFRKH-UHFFFAOYSA-N 424.374 5.741 0 40 HKAB biogenic CCCCCOC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 2433392 HJRFCBWENKQZDP-UHFFFAOYSA-N 408.889 5.156 0 40 HKAB O=C(Sc1ssc(=S)c1SC(=O)c1ccccc1)c1ccccc1 2569852 ACVFKHLFCLEUPR-UHFFFAOYSA-N 406.600 6.404 0 40 HKAB CCc1c(C)sc(NC(=O)COc2ccc(Cl)cc2C)c1C(=O)OC(C)C 2749813 ZRKBNHCJDQEDGF-UHFFFAOYSA-N 409.935 5.163 0 40 HKAB Fc1ccccc1Nc1ncnc2scc(-c3ccc(Br)cc3)c12 2890614 DCGPBAXMEJLXMN-UHFFFAOYSA-N 400.276 6.004 0 40 HKAB O=C(COC(=O)c1ccc(F)cc1Cl)Nc1c(Cl)cc(Cl)cc1Cl 3231657 ZZWNTZDHHKPLJD-UHFFFAOYSA-N 411.043 5.235 0 40 HKAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(-c2nc3ccccc3s2)cn1 3371564 YXYROOPKTWWPMG-UHFFFAOYSA-N 414.317 5.846 0 40 HKAB CCCc1ccc(-c2ccc(-c3noc(-c4cccc(Br)c4)n3)cc2)cc1 3584850 MOPCELKIXHGVSW-UHFFFAOYSA-N 419.322 6.786 0 40 HKAB O=C1O[C@@]2(C[C@H](c3ccccc3)[C@H]3CCCC[C@@]34Nc3ccccc3N24)c2ccccc21 3999086 JQKXIOGQANFJIF-BIQRORRISA-N 422.528 6.016 0 40 HKAB COc1ccc(-n2nc3c(c2NC(=O)c2cccc4ccccc24)CSC3)cc1 4077253 PPQNZCXDOCDZSE-UHFFFAOYSA-N 401.491 5.033 0 40 HKAB Cc1ccccc1C(=O)Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1 4078250 BPIMSUABCLCCSF-UHFFFAOYSA-N 409.458 5.410 0 40 HKAB CCOc1cc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)ccc1O 4194521 KPEWYTCFJRUIFG-UHFFFAOYSA-N 410.517 6.551 0 40 HKAB COc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 4699664 DZLQHKLQMMREAG-UHFFFAOYSA-N 408.841 5.174 0 40 HKAB COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OCc1ccccc1C 4851711 VZWLZLGXJQEDMR-HMAPJEAMSA-N 413.473 5.236 0 40 HKAB CCc1ccc2nc(-c3ccccc3)nc(SCC(=O)NC3CCCCCC3)c2c1 4895505 CBCKOPRJBZWOAC-UHFFFAOYSA-N 419.594 5.790 0 40 HKAB COc1ccc(-c2csc(NC(=O)CCSc3ccc(F)cc3)n2)cc1C 5192646 KVKYWWHCPRSIIT-UHFFFAOYSA-N 402.516 5.387 0 40 HKAB Cc1cccc(-c2nc3c(c(SCC(=O)Nc4ccccc4)n2)COC(C)(C)C3)c1 5321789 GALRMELMYTXERA-UHFFFAOYSA-N 419.550 5.034 0 40 HKAB C[C@H]1CCCN(C(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)C1 5529198 OPNZENHKMVKVTH-HNNXBMFYSA-N 409.327 5.536 0 40 HKAB S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 5936716 DLZRVPWESNCADN-UHFFFAOYSA-N 402.563 6.130 0 40 HKAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccccc1-c1ccccc1 6178609 CDJDMYBRFPHCBD-INIZCTEOSA-N 400.507 5.258 0 40 HKAB CN(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)Oc1ccccc1 6226751 ZPBOPHQEHNHTQI-UHFFFAOYSA-N 418.537 5.224 0 40 HKAB Cc1cc(C2=NN=C(N[C@H]3CCCC[C@@H]3C)SC2)c(C)n1CCc1ccccc1 6280710 KTXIEAFDKAAPGH-JTSKRJEESA-N 408.615 5.323 0 40 HKAB COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1Cl 6303281 PEGGMNHZSITXGC-UHFFFAOYSA-N 403.869 5.454 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 6495769 BODJFHBVWKXICD-LDADJPATSA-N 413.260 6.081 0 40 HKAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)cc1 6590577 CNPSATFFYOVMMM-MRXNPFEDSA-N 410.543 5.471 0 40 HKAB O=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1Cc1c(F)cccc1Cl 6862824 ROPDLVXUAYYSFG-CHHVJCJISA-N 400.233 5.508 0 40 HKAB O=C(c1cccc(Cl)c1)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@H]1c1ccco1 6863011 YPHMEKSGVWTWTE-SUBFFHDQSA-N 406.869 5.963 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2ccccc2[C@H](C)CC)cc1OC 7988338 OGFPFXBOMBUYID-CQSZACIVSA-N 420.347 6.012 0 40 HKAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(Cc2nc3ccccc3s2)cc1 8230248 LWQJGVPPDPMXNS-HXUWFJFHSA-N 414.486 5.127 0 40 HKAB Cc1c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)oc2ccc(Cl)cc12 8586670 FWTIEVWTPUHINH-UHFFFAOYSA-N 410.926 6.024 0 40 HKAB Cc1ccc2nc(-c3cccc(NC(=O)CSc4ccc(Cl)cc4)c3)oc2c1 8590642 KNAXRNKLSMOCBV-UHFFFAOYSA-N 408.910 6.187 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc(Cl)cc2)s1 8790902 ZVZYMUYFWSNHNT-UHFFFAOYSA-N 414.701 5.183 0 40 HKAB Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(F)cc2)n1 9210244 AIIKZPPPTHXSFY-HXUWFJFHSA-N 420.827 5.039 0 40 HKAB O=c1[nH]c(CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)nc2ccccc12 12559060 YQTMAMACYFARPO-UHFFFAOYSA-N 422.560 5.396 0 40 HKAB C[C@@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2n1Cc1ccccc1F 13532504 JENDHFPFRKULEN-OAHLLOKOSA-N 407.876 5.368 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3ccncc3)sc2-c2ccc(OC)cc2)cc1 14586211 KUXMCVXCBIIASV-UHFFFAOYSA-N 417.490 5.142 0 40 HKAB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4cccs4)ccc3O)nc2c1 17093625 PKPDTUKEOKFAME-UHFFFAOYSA-N 423.519 5.006 0 40 HKAB O=c1/c(=C\c2ccc(Cl)cc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 17117769 QNAKEJQPOJTLMM-HMMYKYKNSA-N 414.917 5.291 0 40 HKAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1c(-c2ccccc2Cl)noc1C 17297285 SBYAVBPAUNJNEG-UHFFFAOYSA-N 424.840 5.479 0 40 HKAB COc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c2ccccc12 19320047 XVDWADVKBHTNGQ-UHFFFAOYSA-N 408.545 5.865 0 40 HKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)Cc3ccccc3F)c2)cc1 19691344 SGGGKNDSZTWAEQ-XMMPIXPASA-N 404.485 5.111 0 40 HKAB CC(C)c1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)cc1 27663755 DQOAGCSARZNRLK-QHCPKHFHSA-N 414.977 5.186 0 40 HKAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)Cn1c(Cc2ccccc2)nc2ccccc21 28297131 MXTUQGKQBVVTNU-QHCPKHFHSA-N 423.560 5.568 0 40 HKAB CC(=O)N(CC[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@H]1CCOC(C)(C)C1 32096996 QTDJRNMXMWGMNJ-GOTSBHOMSA-N 417.952 5.807 0 40 HKAB CC(C)(C)[C@@H]1C/C(=C/c2ccc(Cl)cc2)c2nc3ccccc3c(C(=O)O)c2C1 33888677 UGFOTXAVNSQNBM-TXQCQQFXSA-N 405.925 6.736 0 40 HKAB CCC(=O)Nc1cccc(NC(=O)CSc2nc(C(C)(C)C)nc3ccccc23)c1 35312157 HSFOUVUIIBZXHG-UHFFFAOYSA-N 422.554 5.007 0 40 HKAB C[C@H]1CC[C@@H](C)C[C@H]1NC(=O)Nc1cccc(NC(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C)c1 35944073 IGGGFPGDTBGUDH-OMBANNHQSA-N 414.594 5.579 0 40 HKAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1 44886329 NPRWTALUTHBDGB-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 60106395 LKHHVCLSAAVCEA-QGZVFWFLSA-N 405.498 5.281 0 40 HKAB O=c1c2ccccc2nc(SCc2cc(F)cc(F)c2)n1Cc1ccc(F)cc1 67259269 VIIBTGGBUHUQFR-UHFFFAOYSA-N 412.436 5.154 0 40 HKAB O=C(NCc1cccc2ccccc12)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 70635498 JCINWLFRSNOTEP-OAQYLSRUSA-N 414.427 5.142 0 40 HKAB COc1ccc2oc(-c3cccc(NC(=O)COc4cc(C)cc(C)c4)c3C)nc2c1 72260290 XFXIRCKVKSAQJU-UHFFFAOYSA-N 416.477 5.446 0 40 HKAB CCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2C(F)(F)F)cc1Cl 72329333 ZMZAKWGSBWSOLC-UHFFFAOYSA-N 423.822 5.078 0 40 HKAB CC(c1ccccc1)(c1ccccc1)c1nn2c(-c3cc4ccccc4o3)nnc2s1 96193863 AUUDSYRMERJWPF-UHFFFAOYSA-N 422.513 5.953 0 40 HKAB CCc1nn2c(=O)cc(CSc3ccc(C)cc3)[nH]c2c1-c1cccc(Cl)c1 100071925 UVJXVFLNYGEFOY-UHFFFAOYSA-N 409.942 5.506 0 40 HKAB Cc1cc(C)c(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)c3ccccc32)c(C)c1 103005053 PAXBERPKNHPBKC-BUVRLJJBSA-N 410.517 5.869 0 40 HKAB Cc1ccc2nc(/N=c3/cc(-c4ccccc4)oc4ccc(Cl)cc34)sc2c1 103927666 ZXRWVGXALUQFIE-XHPQRKPJSA-N 402.906 6.904 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(OCc2ccccc2)c1 218979164 RPXIUGFDOVMDNU-QHCPKHFHSA-N 401.506 5.606 0 40 HKAB CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OCC 222577789 XGYZBPHREDGDJU-AGRHKRQWSA-N 417.962 5.122 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc(Cl)c(Cl)c1 222731898 UYZPFHMIJNSXQI-SFHVURJKSA-N 424.393 5.954 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccccc1C(C)C 224228943 TWIIDACESPKHAO-UHFFFAOYSA-N 409.913 6.303 0 40 HKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1C 224274642 LRQQQBXFBCMCFU-UHFFFAOYSA-N 423.940 5.783 0 40 HKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 224439605 RSDLPTMCLCPHJA-GOTSBHOMSA-N 420.557 5.705 0 40 HKAB C[C@@H](NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1 224958696 AHGCKUGHADZANI-MRXNPFEDSA-N 402.881 6.153 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)c1 224959421 VRAFKJLAQWUWID-UHFFFAOYSA-N 402.881 6.531 0 40 HKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCCO2 225402501 ZWGYWZCUTPWAHI-UHFFFAOYSA-N 411.841 5.164 0 40 HKAB CCOC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c1C 225506043 FEGJFYFYNWGUAW-QHCPKHFHSA-N 418.562 5.556 0 40 HKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225745563 GGMLYXANWDLVRV-XMMPIXPASA-N 404.595 5.255 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c2ccccc12 225751680 MOOHSRUGHBIUSZ-UHFFFAOYSA-N 407.941 6.733 0 40 HKAB COc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)c(OC)c1 225767491 YYGBRHLISOFHHT-HSZRJFAPSA-N 406.551 5.397 0 40 HKAB Cc1cc(C)c(NC(=O)c2snnc2-c2ccc(Br)cc2)c(C)c1 225786051 AVNIYUPMTRXPGD-UHFFFAOYSA-N 402.317 5.145 0 40 HKAB Fc1ccc(CN2CC=C(c3nc4cc(-c5ccccc5)ccc4o3)CC2)c(Cl)c1 226307857 RTJBECHWROMTRY-UHFFFAOYSA-N 418.899 6.577 0 40 HKAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1Oc1ccccc1 408558043 IBFHIKQYVIHYAJ-UHFFFAOYSA-N 403.887 5.332 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CSCc3cc(C)cc(C)c3)ccc21 408563126 JEWTXGHUOUEBLT-UHFFFAOYSA-N 402.563 6.303 0 40 HKAB CCc1s/c(=N\C(=O)c2cccc(Cl)c2)n(CC)c1-c1ccc(Cl)cc1 408564073 XLDFHLVUBXCHOA-ATJXCDBQSA-N 405.350 5.847 0 40 HKAB COc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(C)cc1 408611104 QHVKNTGPGDMNCY-UHFFFAOYSA-N 411.885 5.546 0 40 HKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3C)n2)cc1 408694039 HNCVCVRATIFKRV-UHFFFAOYSA-N 416.456 5.033 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2cccc(Cl)c2)c1 408696882 FQPSHLPCFCGNEJ-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CC[C@H](C)Oc1ccc2ccccc2c1/C=C1/SC(=O)N(c2ccccc2)C1=O 408903313 XFBQUQYJWJIJLA-PZBNQXIHSA-N 403.503 6.258 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 408972724 VQYNDKNGTFCWAB-UHFFFAOYSA-N 405.133 7.076 0 40 HKAB COc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1Cl 409113040 NFPXYIHJIGMGTC-UHFFFAOYSA-N 416.348 6.810 0 40 HKAB Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1C1CC1 409148943 UUHOIHHADIFAMA-NVMNQCDNSA-N 421.349 5.983 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 1848355084 RNBNNBHKBDQPAY-IBGZPJMESA-N 413.496 5.318 0 40 HKAB CC[C@H](C)c1ccccc1OC(=O)c1ccc(OC)c(I)c1 936068 FLZSXOKWGZIUAY-LBPRGKRZSA-N 410.251 5.033 0 40 HKAB Cc1ccc2cc(CN(C(=O)Nc3cccc(Cl)c3)C3CCCCC3)c(=O)[nH]c2c1 1352758 ZYMDNFNRKOUAIL-UHFFFAOYSA-N 423.944 5.857 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1 1369082 LQRATDFWKBPIBH-HOTGVXAUSA-N 423.504 5.474 0 40 HKAB CC[C@@]1(C)Cc2ccccc2-c2nc(SC(C)C)n(Cc3ccccc3)c(=O)c21 1804768 UDZBQBZMAUNRND-VWLOTQADSA-N 404.579 5.683 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)cc2Cl)N3)C1 2062240 WNBSXIRSIZSRTA-BTDLBPIBSA-N 409.382 6.060 0 40 HKAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SCc4ccccc4F)c23)CO1 2210774 KXYDQIPKCWPCMY-FQEVSTJZSA-N 420.600 6.086 0 40 HKAB Cc1ccccc1NC(=O)N(CCO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 2223357 VUGPATWMNVUEQK-AMZDPNTKSA-N 412.618 6.393 0 40 HKAB CCCCc1nc2oc(C(=O)c3ccc(Cl)cc3)c(N)c2c2c1COC(C)(C)C2 2273171 GCKMQWYWZHTUFE-UHFFFAOYSA-N 412.917 5.488 0 40 HKAB COc1ccc(-c2cc(C(=O)Oc3ccc(Cl)c(C)c3)c3ccccc3n2)cc1 2279234 VLFGTFPYTDYNAF-UHFFFAOYSA-N 403.865 6.091 0 40 HKAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)cc1 2503075 QZFYZRRRCMNNFO-UHFFFAOYSA-N 410.429 5.085 0 40 HKAB CC[C@H](C)c1ccccc1Nc1nc2cc(S(=O)(=O)N(CC)CC)ccc2o1 2664440 HFJYYUMBGLNMMS-HNNXBMFYSA-N 401.532 5.115 0 40 HKAB CCOP(=O)(OCC)[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(F)(F)F 3163864 JABMBWBJTNNNQI-NSHDSACASA-N 423.155 5.269 0 40 HKAB Cc1c(-c2nnc3n2CCC3)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 3257831 SCKIEMLSYHKYDL-UHFFFAOYSA-N 406.458 5.557 0 40 HKAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2ccccc2C(F)(F)F)c1Cl 3308011 AJPLTGDEQCQQJT-UHFFFAOYSA-N 406.187 5.116 0 40 HKAB CCc1ccc(C(=O)[C@@H](C)Sc2nc3sc(C)c(C)c3c(=O)n2CC)cc1 3351461 NQKFYSHKFMPKIO-CQSZACIVSA-N 400.569 5.021 0 40 HKAB COc1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC 4031943 RIDKAOIVDZZZQP-UHFFFAOYSA-N 416.502 5.747 0 40 HKAB CN(C)c1ccc([C@H]2c3c(c4ccccc4oc3=O)Nc3ccc4ccccc4c32)cc1 4116369 SGPMFLUAKUANHP-XMMPIXPASA-N 418.496 6.249 0 40 HKAB COc1cc(NC(=O)c2ccc(C)c(Cl)c2)ccc1NC(=O)c1cccs1 4487785 ZJLOTMWHPBBLSF-UHFFFAOYSA-N 400.887 5.223 0 40 HKAB CCc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(Cl)cc23)cc1 4970256 GPEIAJXDQWTQMA-UHFFFAOYSA-N 411.936 7.073 0 40 HKAB O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)Nc1ccccc1 5213036 ONKNULODLLHDPX-UHFFFAOYSA-N 412.584 5.166 0 40 HKAB CCc1ccc2nc(NC(=O)CCc3c(C)nn(-c4ccccc4)c3C)sc2c1 5937953 QLHMQRMNTIJOLR-UHFFFAOYSA-N 404.539 5.233 0 40 HKAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1ccc(Cc2ccccc2)cc1 6252278 ZSLJDQFLERTSKH-UHFFFAOYSA-N 411.530 5.462 0 40 HKAB CCc1cccc2c(C(=O)CSc3nnc(Nc4ccccc4F)s3)c[nH]c12 6620011 KWBOAYDOURYVCQ-UHFFFAOYSA-N 412.515 5.440 0 40 HKAB Cc1ccc(NC(=O)CSc2cc(C)c3ccccc3n2)c(Br)c1 6623618 TWNUBEUOVATXGX-UHFFFAOYSA-N 401.329 5.345 0 40 HKAB COc1cc(-c2ccc(OCC(=O)c3ccc(C)o3)cc2)cc(=O)c2c(C)oc(C)c12 6624093 QMIXNUCXXYUHSS-UHFFFAOYSA-N 418.445 5.249 0 40 HKAB biogenic CC(=O)c1ccc2ccccc2c1OCC(=O)N(Cc1ccccc1)Cc1ccccc1 6905906 JSMRFJYECUFNGX-UHFFFAOYSA-N 423.512 5.650 0 40 HKAB CCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccco1 8133190 YIIMMRPMYCXADY-MRXNPFEDSA-N 418.522 5.344 0 40 HKAB COc1ccccc1-c1c(-c2ccc(OCC=C(C)C)cc2O)n[nH]c1C(F)(F)F 8914261 QQKAKXMVDJQVPG-UHFFFAOYSA-N 418.415 5.822 0 40 HKAB Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@@H]2CCCO2)cc1C 8915822 RENLEXKAQNALEG-FQEVSTJZSA-N 422.352 5.197 0 40 HKAB CC(C)n1nccc1NC(=O)[C@H](C)Sc1ncnc2sc(-c3ccccc3)cc12 9634151 BAMSVQIDGOIQIV-AWEZNQCLSA-N 423.567 5.255 0 40 HKAB Clc1cccc(/N=c2\cc(-c3ccccc3)oc3ccc(Br)cc23)c1 12082716 YLTBBVVJWAUYMI-LYBHJNIJSA-N 410.698 6.748 0 40 HKAB Cc1cc([C@](O)(c2nc3ccccc3s2)C(F)(F)F)c(C)n1C1CCCCC1 12619452 WJUPMOFCSCYZFZ-FQEVSTJZSA-N 408.489 6.018 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](Nc2cccc(N3CCCC3=O)c2)c2ccccc2)c1 12796312 XCTUSADTWMMUAU-RUZDIDTESA-N 413.521 5.222 0 40 HKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cc3c(F)cccc3Cl)n2)cc1 13960442 CFWRAYFAZYNVFV-UHFFFAOYSA-N 422.887 6.075 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3cccc(NC(C)=O)c3)c3ccccc3n2)cc1 14492169 WEANFLPFDBWNNM-UHFFFAOYSA-N 411.461 5.121 0 40 HKAB CCCCN(C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O)c1ccccc1 14717404 NRKBKXLLQQLPPX-UHFFFAOYSA-N 412.489 5.243 0 40 HKAB CCCCOc1ccc(C(=O)NC(=S)Nc2nc3c(C)ccc(C)c3s2)cc1 17089669 SFNRZCDQLSREOV-UHFFFAOYSA-N 413.568 5.219 0 40 HKAB Cc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c(-c3ccc(C)c(C)c3)c2C)cc1C 17090177 NXWOCWHTDFODHW-UHFFFAOYSA-N 414.980 7.710 0 40 HKAB COc1ccc(CC(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1 19691463 QGIKAUUIVCSMFY-XMMPIXPASA-N 404.485 5.111 0 40 HKAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1c(F)c(F)c(F)c(F)c1F 20143199 HBUJXHITFUDPCC-UHFFFAOYSA-N 417.717 5.040 0 40 HKAB CCOC(=O)c1sc2nc(Oc3ccc(Br)cc3)cc(C)c2c1C 25066948 AOKHCBOZGDIQSR-UHFFFAOYSA-N 406.301 5.645 0 40 HKAB COc1ccc(OC)c(-c2cc(C(=O)N3CCc4ccccc4C3)c3ccccc3n2)c1 27976819 CWQKISMNYKDYPD-UHFFFAOYSA-N 424.500 5.118 0 40 HKAB Fc1ccc(-c2nnc(SCc3ccc(Br)cc3)n2C2CC2)cc1 32604135 RTCWBJXDMMQPRX-UHFFFAOYSA-N 404.308 5.474 0 40 HKAB Cc1ccccc1Cn1cnc2c(-c3ccc(Br)cc3)csc2c1=O 38653522 VADXZTOHGKLODQ-UHFFFAOYSA-N 411.324 5.244 0 40 HKAB O=C(CSc1ccc(F)cc1)Nc1nc(-c2ccc(Br)cc2)cs1 58824240 NULQHYUVKGEFBD-UHFFFAOYSA-N 423.332 5.443 0 40 HKAB COc1ccc(NC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)c(Cl)c1 65812543 LCKRIVHQXPSDRS-UHFFFAOYSA-N 418.324 5.294 0 40 HKAB O=C(CCOc1ccccc1-c1ccccc1)N1CCCCC[C@@H]1c1ccncc1 71798120 KNYNFGFIQSHSOB-XMMPIXPASA-N 400.522 5.661 0 40 HKAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1)C1CC1 72215359 HLZHBSPVJFKMKP-OAQYLSRUSA-N 421.541 5.353 0 40 HKAB COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(Cc3ccccc3Cl)n2)cc1 72357974 NNHQSGFEJROIIY-XMMPIXPASA-N 420.940 5.241 0 40 HKAB Cc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)c2ccccc2Br)c1 95946316 HMPZUNUFEAETQP-LJQANCHMSA-N 409.283 5.342 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@@]12CC[C@](C)(c3nc4ccccc4nc31)C2(C)C 100285628 VZEUSNXHMWPBRL-DNQXCXABSA-N 421.928 5.260 0 40 HKAB Clc1ccc(C2=C[C@@H](c3ccc(OCc4ccccc4)cc3)n3ncnc3N2)cc1 101112780 LTJXNVQHSSQILX-QHCPKHFHSA-N 414.896 5.567 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3csc(Nc4cccnc4)n3)cc2)cc1 208006005 CZIFTEWIZICQJM-UHFFFAOYSA-N 422.535 5.058 0 40 HKAB Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(OCc3ccccc3)c1)CC(C)(C)O2 218979118 ZTYBVAVFMSJLLH-HSZRJFAPSA-N 401.506 5.606 0 40 HKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)c(Cl)c2)S1 222599418 RCLDOPKBIPWPQT-GBLZOACLSA-N 412.921 5.254 0 40 HKAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222756697 QBGYVSSCXDRNEA-QZTJIDSGSA-N 401.944 5.082 0 40 HKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cc2cc3ccccc3nc2s1 223129914 TUDMPFXCYLCFBD-UHFFFAOYSA-N 407.709 6.662 0 40 HKAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1 223393959 BRZAIRPFSAGSRE-UHFFFAOYSA-N 419.590 6.085 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1cc(C)cc(C)c1 224538503 OURAICIWFXUXOO-UHFFFAOYSA-N 409.570 6.124 0 40 HKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 224585712 FDBUJRXOEXCFAF-PKTZIBPZSA-N 418.566 5.184 0 40 HKAB CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2O1 225017485 IMJDHUHIRXTVJN-KNQAVFIVSA-N 409.570 6.085 0 40 HKAB CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(OC)c(C)c1 225330810 LKRLKZUTVXYBTG-IFMALSPDSA-N 414.977 5.137 0 40 HKAB COC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)c1 225768769 SVLUMPDOHMKRHF-JOCHJYFZSA-N 404.535 5.166 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253609288 LNGLEOIUQBVRRY-QPIAHNHISA-N 400.647 6.856 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3)nc2-c2ccc(Cl)cc2)cc1 408694293 INERQBUGAZLPDS-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1Cl 409010786 LHXCYZCGLWUIPR-VCRXTVNUSA-N 401.915 5.754 0 40 HKAB Cc1sc(NC(=O)CCC(=O)c2ccc(F)cc2)nc1-c1ccc(Cl)cc1 409199668 IQNGFTXAVYHHKL-UHFFFAOYSA-N 402.878 5.513 0 40 HKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)Nc1ccccc1 648698 GJBIOCFZIZCDAH-UHFFFAOYSA-N 405.910 5.681 0 40 HKAB COC(=O)c1ccc(COc2ccc3c(=O)c(Oc4cccc(C)c4)coc3c2)cc1 957165 MXSKNGXTGBTISZ-UHFFFAOYSA-N 416.429 5.259 0 40 HKAB CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 975235 ITJGWFDNHAXYIH-UHFFFAOYSA-N 412.493 5.467 0 40 HKAB Cc1cc2nc(CCN(C(=O)Nc3ccc(F)cc3F)C3CCCC3)[nH]c2cc1C 1360868 LLDWUQNYBORROQ-UHFFFAOYSA-N 412.484 5.477 0 40 HKAB Cc1ccc(NC(=O)NCc2c(C)c(C)n(Cc3ccccc3)c2-n2cccc2)cc1 1398813 NHGJMKGCQXZTPH-UHFFFAOYSA-N 412.537 5.574 0 40 HKAB O=C(Nc1csc(C(F)(F)F)c1-c1ccccc1)c1cc(Cl)nc(Cl)c1 2158632 NNUYLJQJRJGEQT-UHFFFAOYSA-N 417.239 6.388 0 40 HKAB CN(C)C1(c2nnnn2[C@@H](/C=C/c2ccc(Cl)cc2Cl)C(C)(C)C)CCCC1 2181934 HMFZJGNSWBAPTK-CKDFRHGISA-N 422.404 5.611 0 40 HKAB COc1cccc(CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)c1 2393655 DUXAMELAIUENOI-UHFFFAOYSA-N 412.536 5.017 0 40 HKAB S=C(Nc1ccccc1)C1=C(N2CCCCC2)/C(=C/c2ccc3c(c2)OCO3)CC1 3256254 JQFGUMSMCMUBTO-XDJHFCHBSA-N 418.562 5.772 0 40 HKAB O=C(CSc1nc2ccccc2o1)Nc1nc(-c2c[nH]c3ccccc23)cs1 3315139 MJTXPDGTXUUJCT-UHFFFAOYSA-N 406.492 5.163 0 40 HKAB O=C(c1ccc(Cl)cc1)c1ccc(OCc2ccccc2Oc2ccccc2)cc1 3354817 RTCVUWFJRYRESJ-UHFFFAOYSA-N 414.888 6.942 0 40 HKAB CCCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(C)cc3)oc3ccccc23)cc1 3655329 LRFZVMPCZGPUQV-UHFFFAOYSA-N 413.473 6.013 0 40 HKAB CCCCN1C(=O)c2cccc3c(NC(=O)c4nc5ccccc5s4)ccc1c23 4224064 BCFWKEDFBXPSPA-UHFFFAOYSA-N 401.491 5.462 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Br)cc1 4256096 PYYDRGYAJMQWJQ-UHFFFAOYSA-N 410.355 6.169 0 40 HKAB CCOc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)[C@H](C)[C@@H]2CC)cc1 4562142 OQZNSCZZVINNGJ-LUPFDQBXSA-N 414.549 6.314 0 40 HKAB CCCC[C@H](CC)CNC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1 4602151 VNKKTCRIWHEBGD-FQEVSTJZSA-N 410.558 5.317 0 40 HKAB CCCCN1C(=S)S[C@@H](N(O)C(=O)Nc2cccc3ccccc23)C1(C)C 4732504 UANVGWMSOBEICU-QGZVFWFLSA-N 403.573 5.301 0 40 HKAB C[C@@H]1CC(C)(C)N(C(=O)CSc2ccc(-c3ccc(F)cc3)nn2)c2ccccc21 4966305 CWSYWHROEIWHNI-MRXNPFEDSA-N 421.541 5.694 0 40 HKAB COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)c1 5255178 TYNYDXOZPYBZJE-ISKFKSNPSA-N 404.897 5.899 0 40 HKAB Cc1cccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c1 5478003 WFVJACXFVFHNIG-UHFFFAOYSA-N 413.590 6.833 0 40 HKAB COc1ccc(OC)c(S[C@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2)c1 5526776 BMBHHGDCPSSXEJ-JOCHJYFZSA-N 412.938 6.464 0 40 HKAB O=C(Nc1ccccc1Cl)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 6177507 IUMVTSXCKJIELM-CCEZHUSRSA-N 412.898 5.005 0 40 HKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccccc1OC 6425825 PRBFOEAZFXSEQX-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB CCCCN(CCCC)CCCNC[C@@H]1C(=O)O[C@H]2C[C@@]3(C)CCCC(C)=C3C[C@@H]21 6656222 JZPFBQTVTHEIAT-CDTXBXJGSA-N 418.666 5.327 0 40 HKAB O=C1Nc2ccccc2S[C@@H]1c1sc(N2CCCCC2)nc1-c1ccccc1 6786899 CEGRZVWDXHSUCB-HXUWFJFHSA-N 407.564 5.586 0 40 HKAB Cc1nc(NCCc2ccccc2)sc1C(=O)OCc1cccc2ccccc12 6787979 HPYVYXWXDSMRHZ-UHFFFAOYSA-N 402.519 5.616 0 40 HKAB COc1cc(CNC(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 6857344 JYZWNCSLKLMTQN-UHFFFAOYSA-N 424.412 6.885 0 40 HKAB Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccco1)[C@H]3c1ccc(Cl)cc1 8867710 HYCUCGVRJOMIHU-NRFANRHFSA-N 419.864 5.402 0 40 HKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc5ccccc5o4)cc3n2)cc1 9667269 SCVBZOUCTYWLIZ-UHFFFAOYSA-N 424.504 6.070 0 40 HKAB Cc1c(C(=O)CSc2nnc([C@@H]3COc4ccccc4O3)o2)sc2ccccc12 10029294 XXRMUGBTGFGJSV-KRWDZBQOSA-N 424.503 5.080 0 40 HKAB Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@H](c1cccnc1)O2 12311676 NTSXZTJFYARBHS-APWZRJJASA-N 412.312 5.148 0 40 HKAB Clc1c(-c2cccc(Br)c2)n[nH]c1-c1cccc(Br)c1 12357683 ILQQKWRMYUTCJW-UHFFFAOYSA-N 412.512 5.922 0 40 HKAB Cc1ccccc1Cn1c([C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 12539707 YYQZAYFAJRHCOQ-OAQYLSRUSA-N 413.496 5.048 0 40 HKAB COc1cc(C)c(NC(=O)C2(c3cccc(Br)c3)CCCC2)cc1OC 12943010 YHNHBIOLFHHVNT-UHFFFAOYSA-N 418.331 5.225 0 40 HKAB O=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1 13301594 WQERDRGIXPQZAV-NRFANRHFSA-N 420.310 5.832 0 40 HKAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 13710514 HTQRZIYXEZCNKP-HNNXBMFYSA-N 412.382 5.427 0 40 HKAB C[C@H](c1ccc(-c2ccccc2)cc1)N(C)S(=O)(=O)c1ccc2ccccc2c1 16576682 YVGXUTZRZCFGSG-LJQANCHMSA-N 401.531 5.889 0 40 HKAB CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 17090964 URYVIXOLQLPPAZ-UHFFFAOYSA-N 417.292 6.100 0 40 HKAB OC1=Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccccc2Br)o1 20725167 QBDMNJPJEBGDAJ-HNNXBMFYSA-N 416.300 5.194 0 40 HKAB Cc1nc(COc2cccc(/C=C/C(=O)N(Cc3ccccc3)C(C)C)c2)cs1 22323531 LVQWXXAOVJXOKX-OUKQBFOZSA-N 406.551 5.481 0 40 HKAB O=c1c2scc(-c3ccc(Cl)cc3)c2ncn1Cc1cccc(C(F)(F)F)c1 23126809 IEPIAAMBFQGDDI-UHFFFAOYSA-N 420.843 5.846 0 40 HKAB Cc1ccc(-n2cnnc2S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c(C)c1 25097934 RLDCIRYFPWULKL-CYBMUJFWSA-N 421.353 5.310 0 40 HKAB O=C1c2ccccc2C(=O)N1CCCCCC(=O)N(C1CCCCC1)C1CCCCC1 26533089 QCNNKZDBDACLMC-UHFFFAOYSA-N 424.585 5.337 0 40 HKAB COc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)c2c[nH]c3ccccc23)cc1 27746109 FOCQPFYRLUPTII-NRFANRHFSA-N 404.897 5.392 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NCC(C)C 30856218 VDYXEPJVZHOSCN-QFIPXVFZSA-N 404.510 5.022 0 40 HKAB Brc1ccc([C@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 31716545 IRGYIDPXYHPMEG-ZEQRLZLVSA-N 416.318 6.373 0 40 HKAB CC[C@@H](NC(=O)Cc1nc(-c2ccccc2)oc1C)c1ccc(Br)cc1 32900233 BSEPAUCJWFQHBB-GOSISDBHSA-N 413.315 5.223 0 40 HKAB Cc1cc(O)cc2c1O[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)CC2 35051039 GZIFEOYASATJEH-OREGWCPLSA-N 402.663 8.223 0 40 HKAB biogenic O=Cc1cc(Br)cc(Br)c1OCc1cccc(Cl)c1 35668604 XNTCLRYSGPVSAJ-UHFFFAOYSA-N 404.485 5.257 0 40 HKAB CCn1nc(C)c2c(C(=O)Nc3ccccc3C(C)C)cc(-c3ccc(C)cc3)nc21 36613200 OGSIEVHQLVIPCJ-UHFFFAOYSA-N 412.537 6.111 0 40 HKAB CN(c1ccccc1)c1ccccc1NC(=O)Cc1csc(-c2ccccn2)n1 40114520 ZEUMTSWQRGWHDF-UHFFFAOYSA-N 400.507 5.154 0 40 HKAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(C2SCCCS2)cc1 48236882 WLLOYHVSCNCPQT-UHFFFAOYSA-N 406.576 6.551 0 40 HKAB O=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2cccc3ccccc23)cc1 53944031 NDUIGOROWQBJPL-UHFFFAOYSA-N 404.469 6.084 0 40 HKAB CCc1cccc(C)c1NC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 58175681 XIBMSLQGENJYMV-DEOSSOPVSA-N 409.982 6.672 0 40 HKAB CC(C)Cc1ccc(-c2nc(-c3ccc([C@H](C)NC4CC(C(=O)O)C4)cc3)no2)cc1 59259725 JRZJZOSWCNBQFS-XDGVHFHYSA-N 419.525 5.116 0 40 HKAB Cc1ccccc1-c1nc2cc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)ccc2o1 59477606 JHIBSCIGLOXBBG-DTQAZKPQSA-N 420.468 6.715 0 40 HKAB CCOc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 63451435 QSUVNALAUZLXLT-UHFFFAOYSA-N 402.425 5.799 0 40 HKAB Cc1cc2[nH]c(-c3cc(Br)cc(Br)c3N)nc2cc1Cl 73634803 VSAKHSZBKZMWGX-UHFFFAOYSA-N 415.516 5.299 0 40 HKAB OCC/C(=C(/c1ccc(O)cc1)c1ccc(OCc2ccccc2)cc1)c1ccccc1 77300807 LDABRHPGZLGNTB-ZQHSETAFSA-N 422.524 6.313 0 40 HKAB in-vitro C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)CSCc1ccccn1 79019173 PBNATMAKLAEIRD-CYBMUJFWSA-N 421.353 5.066 0 40 HKAB C[C@@H]1CN(C(=O)c2oc3ccccc3c2CSc2cccs2)CC(C)(C)O1 84705734 SSSRAVNTQNCHFV-CQSZACIVSA-N 401.553 5.426 0 40 HKAB CN1/C(=C\C=C(\C#N)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 89279721 JNAFVKSDLBXHDV-BJEMTENESA-N 423.560 5.628 0 40 HKAB CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(F)cc1 100141938 ZOAOPHIRXMQHOL-HSZRJFAPSA-N 406.501 6.274 0 40 HKAB CC(C)Oc1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 216466578 ORYFBOOKYIFHPI-UHFFFAOYSA-N 400.522 5.679 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCSc1ccc(Cl)cc1 222695319 JFQBUWMFQNWDBB-IBGZPJMESA-N 403.975 5.939 0 40 HKAB Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223089301 BOGOPVSGHBAVES-ZEQRLZLVSA-N 416.594 5.486 0 40 HKAB CCC1(CC)C[C@H](NC(=O)/C=C/c2ccc(Cl)cc2Cl)c2ccccc2O1 223295253 BETJFNTZRDKGGH-RDELFYGPSA-N 404.337 6.205 0 40 HKAB CCCCCNC(=O)c1ccc(OC)c(COc2ccc(-c3ccccc3)cc2)c1 224222640 AZMBUQMOTNHLOU-UHFFFAOYSA-N 403.522 5.861 0 40 HKAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 224610600 GSJPCEIRYVNUAS-GOTSBHOMSA-N 418.566 5.271 0 40 HKAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 224858056 DXYBAPIAUKSCNE-UHFFFAOYSA-N 405.281 5.618 0 40 HKAB CCCCCNC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224955490 KXUIMUIJNFZQTO-UHFFFAOYSA-N 413.315 5.691 0 40 HKAB Cc1ccc(C(=O)Nc2nnc(SCc3c(F)cccc3Cl)s2)c(C)c1 225059028 ZCNQIAUEGJELDV-UHFFFAOYSA-N 407.923 5.492 0 40 HKAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(Br)c(C)c1)CC(C)(C)O2 225673811 SZUCAFXVIAVYSF-QGZVFWFLSA-N 419.388 5.655 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225703144 RXKSOCLGYCTIAO-DEOSSOPVSA-N 404.595 5.111 0 40 HKAB O=C1c2ccccc2CN1c1ccc2oc(-c3cccc(Br)c3)nc2c1 226286346 BCPIPDDWQHPKFJ-UHFFFAOYSA-N 405.251 5.418 0 40 HKAB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 408581141 GPCMDLMUNKLTEC-UHFFFAOYSA-N 403.429 5.202 0 40 HKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCC2=CCCCC2)cc1 408676844 OLSHJLAJEPXTBX-UHFFFAOYSA-N 416.521 5.194 0 40 HKAB CCC[C@H](C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408703030 DEQBXGQRXPRBAN-OYHNWAKOSA-N 416.974 5.033 0 40 HKAB CC(C)Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1 409090077 QIIXUYBYPXMPLC-UHFFFAOYSA-N 418.925 5.124 0 40 HKAB Cc1cccc(C)c1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409129905 LFIVQOVFNUYDPB-IEOHQWBCSA-N 422.572 6.852 0 40 HKAB COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 409173435 NBQADTZSYKHQTK-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB CCCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 409212007 LIOWYZZRFNPARG-BOPFTXTBSA-N 410.322 6.480 0 40 HKAB O=C(c1ccc(Cl)c(F)c1)N1CCC[C@]2(CCCN2Cc2cccc(F)c2)CC1 585100409 QZCHTGIBWSQTFR-QHCPKHFHSA-N 418.915 5.279 0 40 HKAB C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1Br 637578 YTMPLHYMJBRMJD-RABUFTMVSA-N 418.334 5.931 0 40 HKAB CCOC(=O)c1c2ccc(Oc3snnc3-c3ccccc3)cc2n2ccccc12 1398653 AWJKSEPMFJFCOS-UHFFFAOYSA-N 415.474 5.580 0 40 HKAB CCc1ccc(C2=Nc3ccccc3N3C(=O)c4c(ccc(OC)c4OC)[C@H]3C2)cc1 1458800 ZEGSSFRCYVEIHQ-JOCHJYFZSA-N 412.489 5.492 0 40 HKAB biogenic CCN(CC)CCC[C@H](C)Nc1ncnc(Cl)c1C(=C(C)C)c1ccccc1 1704272 OPPIXXYSSVPYDH-SFHVURJKSA-N 400.998 5.894 0 40 HKAB Cc1cc(I)ccc1NC(=O)/C=C/c1ccc(C(C)C)cc1 1800524 VEIHPKMANAFAHA-IZZDOVSWSA-N 405.279 5.375 0 40 HKAB COc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2cccc(C)c2)cc1 2442829 GSTFHHYZKYDFOD-UHFFFAOYSA-N 415.518 5.226 0 40 HKAB Cc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2cccc(C)c2)cc1 2447315 HXNYOTRBVVMDRS-UHFFFAOYSA-N 405.954 6.497 0 40 HKAB NC(=O)c1ccsc1NC(=O)c1oc2ccccc2c1CSCc1ccccc1 2652668 JAMMBDBIOBSFTG-UHFFFAOYSA-N 422.531 5.279 0 40 HKAB O=C1N[C@@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)Nc2ccccc21 3239747 KOOJCVSVLWZYLG-DEOSSOPVSA-N 406.445 5.140 0 40 HKAB CC(C)(C)c1cc(C(=O)OCC(=O)NC2CCCCCCC2)cc(C(C)(C)C)c1 3255126 VZSMJBXUCLAMIV-UHFFFAOYSA-N 401.591 5.668 0 40 HKAB Cc1cc(C(=O)COC(=O)c2cc(Cl)ccc2Cl)c(C)n1Cc1cccs1 3291474 BDXAZFBLTHJICP-UHFFFAOYSA-N 422.333 5.561 0 40 HKAB CC(C)N(Cc1ccccc1)C(=O)CSc1nn(-c2ccccc2)c(=S)s1 3406988 OHENTWZZMPYYLA-UHFFFAOYSA-N 415.609 5.193 0 40 HKAB CCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@](C)(OC(=O)CC)[C@@]4(C)CC[C@@H]32)C1 4216891 YUKFLTKJFMBYJM-QNSWYLPSSA-N 416.602 5.983 0 40 HKAB biogenic,in-man COc1ccc(C2=NN(C(=O)Nc3ccccc3)[C@@H](C(Cl)(Cl)Cl)C2)cc1 4277056 APEKWBLEXXFXTB-MRXNPFEDSA-N 412.704 5.076 0 40 HKAB Cc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2Cc2ccccc2)c1 4309020 VDCYPSSUKOVPGX-QGZVFWFLSA-N 418.522 5.014 0 40 HKAB CC(C)Oc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 4363743 YNHUCASOFNSWMO-UKILVPOCSA-N 418.924 6.370 0 40 HKAB CN(C)c1ccc(N2C(=O)C3(CCCCC3)[C@H]2c2ccc(Br)cc2)cc1 4623022 QZHAUVIEVDVVDR-HXUWFJFHSA-N 413.359 5.554 0 40 HKAB Cc1ccc(-c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)s1 4628426 LHDSTIDPLXNUKX-UHFFFAOYSA-N 402.563 5.970 0 40 HKAB COc1ccc(NC(=O)C[C@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1 5297249 XNLWJCPLCGWABX-XMMPIXPASA-N 407.485 5.782 0 40 HKAB O=C(COC(=O)c1ccc2c(c1)CCCC2)Nc1c(Cl)cccc1C(F)(F)F 5475414 DXQHFDTZIUMYJP-UHFFFAOYSA-N 411.807 5.033 0 40 HKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Cl)c4)cc3n2)cc1 6264764 RQLPNVIFVBTBDP-UHFFFAOYSA-N 418.928 5.977 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 6586438 AJCOJNIDPWQPOB-RPVQJOFSSA-N 401.330 5.083 0 40 HKAB CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(F)cccc2Cl)o1 6616870 UPPIYYPBWCUFLS-CQSZACIVSA-N 415.918 5.376 0 40 HKAB O=C(NCCCc1nc2ccccc2n1C/C=C/c1ccccc1)C1CCCCC1 6752583 QDMRNHHVXRHWDL-JLHYYAGUSA-N 401.554 5.379 0 40 HKAB Cc1cccc(OCCCC(=O)Nc2nnc(SCc3ccccc3F)s2)c1 7166323 GHRCGMYOYMSXRP-UHFFFAOYSA-N 417.531 5.076 0 40 HKAB Clc1ccc(OCc2nnc(SCc3ccc(Br)cc3)o2)cc1 7193569 BIOGBYNIRHZKDH-UHFFFAOYSA-N 411.708 5.357 0 40 HKAB CCCCOc1ccc2ccccc2c1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)O 7342915 MUKRHZSISRFMKB-JCMHNJIXSA-N 418.518 6.113 0 40 HKAB COc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 7538133 PWGAVSSBYBCFSJ-UHFFFAOYSA-N 416.348 6.179 0 40 HKAB CCOc1cc(CNC23CC4CC(CC(C4)C2)C3)cc(Br)c1OCC 8253804 KQMIYXKEZHZVIM-UHFFFAOYSA-N 408.380 5.305 0 40 HKAB COc1cccc(-c2c(NC(=O)c3ccc(F)cc3)oc3ccc(Cl)cc3c2=O)c1 9327727 HIDQXKCWIWDKAN-UHFFFAOYSA-N 423.827 5.513 0 40 HKAB Cc1c(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)sc2ccccc12 9336895 IMGASUZHXVITIO-UHFFFAOYSA-N 406.536 5.173 0 40 HKAB COc1ccc(N(Cc2cccs2)C(=O)CSc2ncnc3ccccc23)cc1 9729022 FKWBQDUWAVVWOJ-UHFFFAOYSA-N 421.547 5.025 0 40 HKAB O=C(/C=C/c1ccc(Br)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 12899403 PXCXHNZXIILUPW-XLNAKTSKSA-N 413.340 5.436 0 40 HKAB COc1cccc([C@@H](CNc2ncnc3sc4c(c23)CCCCC4)N2CCCC2)c1 13038933 HMBWLVXVTYOEEX-HXUWFJFHSA-N 422.598 5.218 0 40 HKAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)c1cccc2ccccc12 13055796 KIZRSGNFTYPKEV-UHFFFAOYSA-N 409.485 5.697 0 40 HKAB Cc1cc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)c(C)n1C[C@@H]1CCCO1 13058231 HOGXUFFRWFBKGH-KRWDZBQOSA-N 415.946 5.313 0 40 HKAB COc1ccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)nc3n2CCO)cc1 13511670 LPUBXMBXJSSDKE-UHFFFAOYSA-N 409.489 5.138 0 40 HKAB COc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(C)cc3)=NN12 13768320 RLMIZMYMVOPERF-QPPBQGQZSA-N 404.897 5.899 0 40 HKAB CC[C@@H](Sc1nnc(-c2cc3ccccc3o2)n1CC)C(=O)Nc1ccccc1F 13956580 PXCAGNRRTDYVTN-LJQANCHMSA-N 424.501 5.360 0 40 HKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cccc(Br)c1 14206172 AUNOLDRJTUHYEL-UHFFFAOYSA-N 405.679 5.329 0 40 HKAB O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H](Sc1ccccc1)c1ccccc1 14707334 GDTMLCAJFDLOEC-HXUWFJFHSA-N 417.452 5.735 0 40 HKAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccccc2-c2ccccc2)c(OC)c1 15829598 BIPATINVKQABJJ-QHCPKHFHSA-N 417.505 5.113 0 40 HKAB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)no2)cc1C 15833077 CKUSSWUGZZTEGE-UHFFFAOYSA-N 420.896 6.047 0 40 HKAB Cc1nc(COc2ccc(C(=O)N[C@H]3CCSc4ccc(F)cc43)cc2)cs1 16110593 YEDFFPZHITZUJQ-IBGZPJMESA-N 414.527 5.137 0 40 HKAB O=C(N/C(=C/c1cc(Cl)ccc1Cl)c1nc2ccccc2[nH]1)c1ccccc1 17190726 JKNKWFNUDPQNQO-DEDYPNTBSA-N 408.288 5.798 0 40 HKAB COc1cccc2cc(C(=O)NCCSCc3ccc(Cl)cc3Cl)oc12 19887856 DIAOKMGLYPZXPR-UHFFFAOYSA-N 410.322 5.411 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 20610602 HTXOQNOFNZVBNQ-GIDUJCDVSA-N 412.493 5.204 0 40 HKAB COc1ccc(CN(C)C(=O)CSC(c2ccccc2)c2ccccc2)cc1OC 23492954 KRUKBDOQDZQKPF-UHFFFAOYSA-N 421.562 5.185 0 40 HKAB CC(C)(C)C(=O)Oc1ccc(C(=O)c2ccccc2-c2ccc3c(c2)OCO3)cc1 26897507 WCPBNOWSALNBCQ-UHFFFAOYSA-N 402.446 5.265 0 40 HKAB Cc1ccc(-c2nc(CS[C@H](C)C(=O)NCc3ccc(F)cc3)cs2)cc1 31411997 VZBOZMPFJDZRBG-OAHLLOKOSA-N 400.544 5.196 0 40 HKAB COc1ccc(C)cc1NC(=O)c1csc(Nc2ccc(OC(F)F)cc2)n1 35596755 MXYRKYFLPICQJB-UHFFFAOYSA-N 405.426 5.057 0 40 HKAB CN(Cc1ccc(OCc2ccccn2)cc1)Cc1ccccc1OC(F)(F)F 48291018 YQOGYTYVCIWCMS-UHFFFAOYSA-N 402.416 5.191 0 40 HKAB CSc1cccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc23)c1 49005294 VASMYUCIVNLCEH-MRXNPFEDSA-N 406.555 5.418 0 40 HKAB CCOc1ccc(-c2cc3c(SCc4ccc(C)c(C)c4)nccn3n2)cc1Cl 57510884 VJOSJSQXHCBQGM-UHFFFAOYSA-N 423.969 6.358 0 40 HKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2CCC[C@H]2c2ccc(F)cc2)cs1 58134866 CXUBRBQEKMSUFX-QHCPKHFHSA-N 423.557 5.921 0 40 HKAB C[C@@H]1C[C@@H](N(C(=O)C(C)(C)C)c2ccccc2)c2ccccc2N1C(=O)C(C)(C)C 59428174 YLZNMSCLZSJKEJ-XMSQKQJNSA-N 406.570 5.978 0 40 HKAB Cc1ccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)cc1Cl 64872347 GHLHTAPRDJWISM-UHFFFAOYSA-N 410.901 6.559 0 40 HKAB COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C2CC2)c1 101478014 LVTLUGDKDITAIH-DEOSSOPVSA-N 416.521 5.898 0 40 HKAB O=C1[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@]1(Cl)CC(Cl)=C(Cl)[C@@]21Cl 104260134 JVMCOWBFDITPOH-KATARQTJSA-N 421.749 5.275 0 40 HKAB O=C1S/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccc(Br)cc1 106722277 MHUADZPFMQOHAV-NVNXTCNLSA-N 424.703 5.045 0 40 HKAB CC[C@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118925749 RTLUSWHIKFIQFU-DHLYFKOZSA-N 412.702 8.089 0 40 HKAB C[C@H](CCc1ccccc1Cl)NC(=O)c1ccc2c(c1)nnn2C1CCCCC1 141587765 ZNXWZKHTKSXUQS-MRXNPFEDSA-N 410.949 5.341 0 40 HKAB O=C(COc1ccccc1Cl)NCCSCc1c(Cl)cccc1Cl 218846578 CTEDGBSOHZPTTO-UHFFFAOYSA-N 404.746 5.075 0 40 HKAB C[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(C(C)(C)C)cc1 218944693 QZDRGKNUAJMIMC-ZDUSSCGKSA-N 424.766 5.656 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 222915398 XOKZDIICYLPHKD-RUZDIDTESA-N 417.549 6.359 0 40 HKAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(CSc2ccccc2)cc1 223393802 JHVLXBHDRDEOPP-UHFFFAOYSA-N 410.542 6.217 0 40 HKAB Cc1cccc(OCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)c1C 223951562 DTCOETVKXJYRBE-UHFFFAOYSA-N 409.913 5.345 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)CCc3c(Cl)cccc3Cl)ccc21 225181908 MJMHTWGVJDFFOP-UHFFFAOYSA-N 409.338 5.522 0 40 HKAB CCOC(=O)c1cc(NC(=S)NCCCc2ccccc2Cl)ccc1Cl 225541537 CSJNZCZZBXJDQJ-UHFFFAOYSA-N 411.354 5.089 0 40 HKAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(Br)c(C)c2)cc1C 225790013 DQQHMBARALXGGE-OAHLLOKOSA-N 407.377 5.128 0 40 HKAB S=C(Nc1ccc(CSc2ccccc2)cc1)NC1(c2ccncc2)CCCC1 225855715 VNYBTGVFZQVWBP-UHFFFAOYSA-N 419.619 6.130 0 40 HKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(Cl)c(F)c2)C1 257333756 YCXWUWKEGBVSGC-VWPQPMDRSA-N 407.888 5.742 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3OC)c(Cl)c2)cc1 408556983 MCMBAQAKCLBLSG-UHFFFAOYSA-N 424.928 5.541 0 40 HKAB CCOc1c(Cl)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl 408559823 WSVQDSJUYYNXKP-KRWDZBQOSA-N 402.730 5.824 0 40 HKAB COc1ccc(-c2c(C)nn(-c3c(Cl)cc(Cl)cc3Cl)c2N)cc1OC 408600109 UTARWZZJYOJCLN-UHFFFAOYSA-N 412.704 5.407 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)c(C)c3)n2)cc1 408697815 JUTKNFPPEMLEAX-UHFFFAOYSA-N 410.521 5.674 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(F)cc2)cc1 408699648 VKWBMPUTDDMOIQ-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB COc1cc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)ccc1C 408812594 PCLQLAGOCCAFFK-PDMLIXRGSA-N 421.586 6.058 0 40 HKAB CCCCCCOc1ccccc1/C=C1/N=C(c2ccc(OCCCC)cc2)OC1=O 409003749 KSKVJKGSNWQKLS-FCDQGJHFSA-N 421.537 6.169 0 40 HKAB O=C(Nc1ccc(-c2nc(-c3ccccc3)nc3ccccc23)cc1)c1cccs1 409183491 UAAVRLTUFDDHGD-UHFFFAOYSA-N 407.498 6.278 0 40 HKAB Cc1cccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)Cc2ccccc2O)c1 585105910 YKQJSFMAYHHNEK-UHFFFAOYSA-N 413.517 5.005 0 40 HKAB Brc1ccc2c(c1)Oc1ccccc1C2(c1ccccc1)c1ccccc1 2113448353 YCZHFPAAEFAUCT-UHFFFAOYSA-N 413.314 6.938 0 40 HKAB Cc1ccc(-n2nc3ccc(NC(=O)c4cccc5ccccc45)cc3n2)cc1Cl 677423 CAIYYMIAOYZZDE-UHFFFAOYSA-N 412.880 5.788 0 40 HKAB CCc1ccc2nc(-c3ccc(-c4cccc(Br)c4)o3)cc(C(=O)O)c2c1 1790038 WKKYKAJJFDBVEK-UHFFFAOYSA-N 422.278 6.185 0 40 HKAB Cc1cccc(OCc2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)c1 2234250 VWVJTGMDCQXFSM-UHFFFAOYSA-N 410.521 5.437 0 40 HKAB CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(F)cc4)c3)nc2c1 2314708 SDQHMLDLPMNLOR-UHFFFAOYSA-N 408.860 6.663 0 40 HKAB COc1ccc(-c2cn3c(C(C)=O)c(-c4ccc(F)cc4)c4c3n2CCCC4)cc1 2420171 YTRHKASMQPOAGE-UHFFFAOYSA-N 402.469 5.761 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@H]2C)cc1 2624012 YDLLRQNQVBCBQU-XLIONFOSSA-N 421.570 5.131 0 40 HKAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 2750174 XYRCLDPDROIPFT-LICLKQGHSA-N 418.663 6.251 0 40 HKAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)OCc1c(Cl)cccc1Cl 3268924 QSFQRUVWZJNAIO-IBGZPJMESA-N 408.325 5.190 0 40 HKAB C[C@@H](Sc1ncnc2sccc12)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3430006 PITMBBNCKAMXFC-SSDOTTSWSA-N 418.758 5.771 0 40 HKAB Fc1ccc(C2=Nc3ccc(Br)cc3C(c3cccs3)=NN2)cc1 4168581 UXVIZPNOXLKLKR-UHFFFAOYSA-N 400.276 5.084 0 40 HKAB CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 4176802 LHNYQAXINGMVJO-AREMUKBSSA-N 420.516 5.545 0 40 HKAB Cc1sc2c(c1C)C(=O)N[C@H](c1ccc(OC(=O)c3ccc(Cl)cc3)cc1)N2 4502005 IYZAMURHLJOVIC-SFHVURJKSA-N 412.898 5.092 0 40 HKAB O=C(c1ccccc1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1 4983022 WCTIPYXJFUKGBD-KXSOJQAOSA-N 416.520 6.566 0 40 HKAB CC(C)C[C@@H](C)COC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O 5454273 MDFAQXJJJLKKAC-SSDOTTSWSA-N 402.101 5.837 0 40 HKAB Cc1ccc2c(c1)[C@@H]1CC(c3ccc(Cl)cc3)=NN1C1(CCN(C(C)C)CC1)O2 5499929 CLBGSIPBFRQRGK-QFIPXVFZSA-N 409.961 5.392 0 40 HKAB O=C(COC(=O)c1oc2ccccc2c1CSC1CCCCC1)NC1CCCC1 6164655 RAKCAHNXOXBJDG-UHFFFAOYSA-N 415.555 5.214 0 40 HKAB O=C1/C(=C/Nc2ccc(Cl)cc2)c2ccccc2C(=O)N1c1cccc(Cl)c1 6455144 CTQJJXPCMZWZNE-DEDYPNTBSA-N 409.272 5.633 0 40 HKAB Cc1cc(C)cc(NC(=O)CSc2nn(-c3ccc(F)cc3)c(=S)s2)c1 6548267 STUGLWIRLDRSDL-UHFFFAOYSA-N 405.545 5.150 0 40 HKAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(Nc2ccccc2)s1 6597425 NWJFOOKXLZPUAI-UHFFFAOYSA-N 412.584 5.201 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc2ccccc2c1 6761828 VWKZRURWDDDLKA-UHFFFAOYSA-N 410.498 6.377 0 40 HKAB Cc1ccc(N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)cc1C 6794502 CZXULRHNEGNVPX-NRFANRHFSA-N 407.876 6.347 0 40 HKAB CCc1ccccc1N1C(=O)N(Cc2cc(C)ccc2C)c2ccccc2S1(=O)=O 6918520 QCDARXVZKVNVII-UHFFFAOYSA-N 420.534 5.201 0 40 HKAB O=C(NC1CC1)[C@H](Sc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1 7111347 JEPGNCDIDYQZLN-HXUWFJFHSA-N 417.559 5.470 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(C3CC3)n2C2CC2)c2ccccc2)c1 7851755 ASPDFYJTUGOJKZ-NRFANRHFSA-N 418.566 5.579 0 40 HKAB O=C(/C=C/c1nc2ccccc2s1)N1CCC[C@@H](c2nc3ccccc3s2)C1 7987111 HUFWHLNXIXFSGC-AYJWMTRPSA-N 405.548 5.325 0 40 HKAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)c3cccc(Cl)c3)o2)cc1 8190977 LVJJMVDGLHGTAH-CQSZACIVSA-N 415.946 5.600 0 40 HKAB C[C@@H](NC(=O)CSc1ncnc2sccc12)c1ccc(-c2ccccc2)cc1 8230855 VMPYQHQDJOHTSV-OAHLLOKOSA-N 405.548 5.328 0 40 HKAB CC1=C(/C=C\C2=C/C(=C/C(=O)O)C[C@H](C3=C(C)CCCC3(C)C)C2)C(C)(C)CCC1 8655916 OSJIOOWZMIEHAZ-YQUVASAKSA-N 408.626 7.943 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cccc(C)c1 9479640 VCKNGSSLLRBEOG-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)cc(=O)c2c1 9660180 XDEAKLDMWOAVAK-UHFFFAOYSA-N 413.473 5.844 0 40 HKAB biogenic Cc1cc2nc(-c3ccc(CNC(=O)COc4ccccc4C)cc3)oc2cc1C 10120434 JISHJGJCWATNNQ-UHFFFAOYSA-N 400.478 5.115 0 40 HKAB Cc1ccc(-n2nc(C)cc2OS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 11691496 LWADTPDNVPXUKA-UHFFFAOYSA-N 410.539 5.305 0 40 HKAB Cc1ccc(C)c(Nc2nc3ccccc3nc2Nc2cc(C)nn2-c2ccccc2)c1 11692202 TUVOBHXMBJEDFL-UHFFFAOYSA-N 420.520 6.228 0 40 HKAB CCOc1ccccc1-c1nc(CC(=O)Nc2nc(-c3ccccc3)cs2)cs1 12617952 SFCFFQOPMNDAGG-UHFFFAOYSA-N 421.547 5.514 0 40 HKAB Cc1cc(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)no1 12690788 FVKYPTSGTDNYQC-UHFFFAOYSA-N 421.309 5.310 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1nccnc1-c1nc2ccccc2s1 12789539 HPCASBAYKHFTKA-UHFFFAOYSA-N 400.385 5.024 0 40 HKAB COc1ccc([C@@H]2CCCN2C(=O)CCCOc2ccc(Cl)cc2C)cc1OC 12793599 CMQSDFWWMCBEIW-IBGZPJMESA-N 417.933 5.188 0 40 HKAB FC(F)(F)c1cc(-c2cccs2)nc2cc(-c3sccc3-n3cccc3)nn12 12961513 IMVNYYMNLDQOIX-UHFFFAOYSA-N 416.453 5.996 0 40 HKAB CN(Cc1cccc(Cl)c1Cl)Cn1nc(-c2cccnc2)n(C2CC2)c1=S 14186546 CLMOAZVSNXSNNP-UHFFFAOYSA-N 420.369 5.207 0 40 HKAB CC(C)c1ccc(O[C@H](C)C(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1 14668997 GOLZCTJEZAOGKV-HXUWFJFHSA-N 403.522 5.838 0 40 HKAB Brc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 15016756 ATEUWZWKKFWGNX-YLJYHZDGSA-N 411.324 5.753 0 40 HKAB CC(C)N(CCSc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)C(C)C 16575379 WUSZLPGICLQJLQ-UHFFFAOYSA-N 400.466 5.193 0 40 HKAB Cc1nc(SCC(=O)c2ccc(-c3ccccc3)cc2)c2c3c(sc2n1)CCC3 16756541 PXMVHEVISBYTLF-UHFFFAOYSA-N 416.571 6.130 0 40 HKAB CC(C)CC(=O)NC(=S)NCc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 17088326 AEHLQMYJIWYFFY-UHFFFAOYSA-N 409.555 5.155 0 40 HKAB COc1ccc(Cn2c(-c3ccccc3)c(-c3ccccc3)c3c(=O)[nH]cnc32)cc1 17781883 OFGFDDGDQCPZQV-UHFFFAOYSA-N 407.473 5.116 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccc(C)c(C)c3)c2)cc1 19881476 JETIAJJBLCEZCO-UHFFFAOYSA-N 422.912 5.860 0 40 HKAB Cc1ccc([C@H](NC(=O)c2ccccc2CCc2ccccc2)c2ccccc2)cc1 20044660 OCVUKNKXZUGCCT-MUUNZHRXSA-N 405.541 6.300 0 40 HKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc2ccccc12 20454558 WMAWOKGZPWQGBT-VGOFRKELSA-N 404.510 5.164 0 40 HKAB Cc1ccccc1[C@H](C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 21410212 QABCNOQNSPBOPX-AWEZNQCLSA-N 403.309 5.767 0 40 HKAB CCc1ccc2oc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)c(C)c2c1 21658771 QDLQZSMEABTBPW-UHFFFAOYSA-N 404.535 5.933 0 40 HKAB CC(C)c1noc([C@H](C)Sc2nc3sc(-c4ccccc4)cc3c(=O)n2C)n1 31697129 IQXQETWYKKZPFJ-LBPRGKRZSA-N 412.540 5.022 0 40 HKAB O=C(Nc1ccc(F)cc1F)c1cccnc1Oc1ccc(Br)cc1 31813516 UGZOQJKBUVMSNF-UHFFFAOYSA-N 405.198 5.167 0 40 HKAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)CCc1cccs1 32502268 WDTQZXHTMPXQEF-UHFFFAOYSA-N 404.329 5.362 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)n2)cc1 32623231 DWWQHRKTYSGMII-UHFFFAOYSA-N 424.254 5.320 0 40 HKAB CSc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1 40485704 RMQJDVUXCUNKHL-QFIPXVFZSA-N 405.494 5.600 0 40 HKAB Cc1nc(C(C)(C)C)nc2sc(C(=O)Nc3cccc(-n4cccn4)c3)c(C)c12 48274936 NGVNAMMQEABKSQ-UHFFFAOYSA-N 405.527 5.044 0 40 HKAB COc1ccc(Nc2c(C(=O)N3CCC[C@H](C)C3)cnc3nc(C)ccc23)cc1Cl 49005352 DQVYTSXLJDHLPW-AWEZNQCLSA-N 424.932 5.216 0 40 HKAB C[C@H]1CCCCN1c1cc(NC(=O)c2cccc(Br)c2)c(Cl)cc1N 72229283 JAKHPUVQUJQQEQ-LBPRGKRZSA-N 422.754 5.316 0 40 HKAB Cc1ccccc1C1CC(N(C(=O)c2cccc(OCc3cccnc3)c2)C2CC2)C1 72295510 CNJDVZVCDZKGPV-UHFFFAOYSA-N 412.533 5.520 0 40 HKAB S=C(Nc1ccccc1)N1N=C(c2cccs2)C[C@H]1c1cccc2nccnc12 72314570 RHBCZGVUIUCFBT-IBGZPJMESA-N 415.547 5.239 0 40 HKAB Cn1ncc(CNc2nc(-c3cccs3)nc3scc(-c4ccccc4)c23)c1N 89741037 QEQGJRLYYQPLDF-UHFFFAOYSA-N 418.551 5.015 0 40 HKAB Cc1ccccc1C(=O)N1N=C(c2ccco2)C[C@H]1c1cccc(Br)c1 97165196 MIIDYYGAPAHTGP-IBGZPJMESA-N 409.283 5.342 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4ccc(C)cc4N[C@@H](c4cccs4)C3=C(O)C2)cc1 100427056 UMPKOJHRSSWJMD-NSYGIPOTSA-N 416.546 6.694 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCC2)cc1Br 107906357 AYTJADGTWOQSHR-UHFFFAOYSA-N 423.738 5.354 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccc(Cl)cc1 108029027 AHEQHWWGHMLGPU-UHFFFAOYSA-N 423.900 5.702 0 40 HKAB O=C(COc1cccc2ccccc12)NCCSCc1ccc(Cl)cc1Cl 218909206 FWCYGOFITDHYEO-UHFFFAOYSA-N 420.361 5.575 0 40 HKAB CCN(Cc1nc(-c2cccs2)no1)C(=O)CCCSc1ccc(Cl)cc1 222697564 YPMUXIZTMBOSDT-UHFFFAOYSA-N 421.975 5.373 0 40 HKAB Cc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222776789 AQZCRBPLUWUGCG-NRFANRHFSA-N 422.613 5.383 0 40 HKAB S=C(NCCCc1ccccc1)Nc1ccc(Nc2ccc3ccccc3c2)nc1 223964740 ROKKULHRTDHMQS-UHFFFAOYSA-N 412.562 5.898 0 40 HKAB COc1ccc(OCc2cc(C(=O)N[C@H](C)CCc3ccccc3)ccc2OC)cc1 224272190 RYXOYHVTUIBPHO-LJQANCHMSA-N 419.521 5.034 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)c1 224293442 JNOZQLOUZOJIIV-RPWUZVMVSA-N 416.594 5.629 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COCc1ccccc1 224752976 TZFKDXXTTICKGX-UHFFFAOYSA-N 418.493 5.013 0 40 HKAB C[C@H](CNC(=O)c1cc(Br)ccc1Cl)Cc1cccc2ccccc12 225075503 AKVQBDREOWCGBG-AWEZNQCLSA-N 416.746 5.864 0 40 HKAB CCCCOc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C 225552258 KAVIZZLTQIQYOK-UHFFFAOYSA-N 413.989 6.976 0 40 HKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225745280 MLMODSNKIRNXCC-OTPAQWSUSA-N 418.622 5.357 0 40 HKAB O=C(Cn1ccc(=O)c2cc(F)ccc21)Nc1cc(Cl)ccc1Oc1ccccc1 225752557 UDZGQKYLQBHDEI-UHFFFAOYSA-N 422.843 5.225 0 40 HKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225840752 AOFZNNHFDVVDNE-SBUREZEXSA-N 407.551 5.211 0 40 HKAB CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 253529972 KZJWDPNRJALLNS-XAWXFDOFSA-N 414.718 8.025 0 40 HKAB biogenic S=C(NCCc1ccccc1)c1ccc(OCc2c(Cl)cccc2Cl)cc1 408571814 CQXZLLFAXSVDBV-UHFFFAOYSA-N 416.373 6.080 0 40 HKAB CCOc1cc(C(=S)NCc2ccc(F)cc2)ccc1OCc1ccc(F)cc1 408574680 MGRGTMFSZMPBBU-UHFFFAOYSA-N 413.489 5.408 0 40 HKAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1F 408696146 WTCIAIBYZVDPKK-UHFFFAOYSA-N 407.850 5.081 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c1 408739103 XLMQDLNEBQTOIM-VWLOTQADSA-N 414.549 5.215 0 40 HKAB O=C(CCC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(Br)cc1 408822447 BVRXTMARYFLANM-UHFFFAOYSA-N 424.294 5.843 0 40 HKAB COc1cc(/C=C2/N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)ccc1O 408844868 PPWPTHQTDSZIIO-WUXMJOGZSA-N 420.273 5.267 0 40 HKAB O=C1N/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1C1CCCCC1 409084295 VCPYPYOEDATEFZ-WJDWOHSUSA-N 405.281 5.479 0 40 HKAB CCCCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(OC)cc1 409121744 XRAQNDHMJVTFGL-UHFFFAOYSA-N 402.585 5.609 0 40 HKAB CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccccc1 409170141 SQJKBKUVKGFCQN-UHFFFAOYSA-N 424.570 5.040 0 40 HKAB Fc1cccc(Cl)c1COc1ccc(C(=S)N2CCc3ccccc3C2)cc1 409196948 SZSYCSVJLNDNSN-UHFFFAOYSA-N 411.929 5.792 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1cccc(F)c1 790122 AQCMWAAHILWWKT-UHFFFAOYSA-N 416.481 5.076 0 40 HKAB CCN(C(=O)c1ccc(Br)cc1)c1nc(-c2ccc(F)cc2)cs1 932828 LJLVNQUAHYOXTE-UHFFFAOYSA-N 405.292 5.378 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CSc1ncnc2sc3c(c12)CC[C@H](C)C3 956599 FFFLDJNXLPTCFJ-NSHDSACASA-N 417.987 5.509 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1C 1256281 XXQQEZBSQROVDO-UHFFFAOYSA-N 421.488 5.049 0 40 HKAB Cc1ccc(COc2ccccc2C(=S)N2CCN(c3ccccc3F)CC2)cc1 1441462 PEBVJHZXODRQFQ-UHFFFAOYSA-N 420.553 5.211 0 40 HKAB c1ccc(CC2(Cc3ccccc3)N=C(c3ccccc3)C(c3ccccc3)=N2)cc1 1600262 FJMMRUBGCQNJCT-UHFFFAOYSA-N 400.525 6.160 0 40 HKAB CC(C)=C[C@H]1[C@@H](C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)C1(C)C 1664935 RSZXHSOZHNQRLF-YUMQZZPRSA-N 416.559 7.097 0 40 HKAB CCOP(=O)(OCC)[C@H]1c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21 1722497 JSXBCLWZOIKJMN-KRWDZBQOSA-N 405.645 6.983 0 40 HKAB CCCOC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)c1ccco1 2104773 UKSQVGIIBXPFQE-UHFFFAOYSA-N 405.475 5.980 0 40 HKAB Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1-c1cccc(Cl)c1 2421976 HFCLIVBPOOAZIA-UHFFFAOYSA-N 420.900 5.299 0 40 HKAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc(C)ccc2C)cc1 2428629 XIDTWLUOTHCSTE-UHFFFAOYSA-N 418.522 5.099 0 40 HKAB CC(C)c1ccc(C(=O)[C@@H](C)Oc2ccc(NC(=O)c3ccco3)cc2)c(C(C)C)c1 2623393 PDAXOLDIIZTRAW-GOSISDBHSA-N 419.521 6.429 0 40 HKAB C[C@H]1CCCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)C1 2714409 BPJIPMXEDFWHOR-KRWDZBQOSA-N 402.929 5.977 0 40 HKAB CCCN(Cc1ccccc1)C(=S)Oc1ccc(C(=O)Nc2cccc(C)c2)cc1 3087683 PZMPBTDRIVRHBN-UHFFFAOYSA-N 418.562 5.823 0 40 HKAB CCC(C)(C)c1ccc(Oc2ccc(NC3=NN(c4ccccc4)C(=O)C3)cc2)cc1 3147042 HRUJYRWCYFIMKP-UHFFFAOYSA-N 413.521 6.329 0 40 HKAB CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1cccs1 3318931 XLXQKGJLSDJJKK-UHFFFAOYSA-N 413.355 5.064 0 40 HKAB COc1ccc(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)cc1Cl 3319597 LQIALUTYMIWFOY-UHFFFAOYSA-N 405.885 5.259 0 40 HKAB CCCCNc1nnc(SCC(=O)Nc2c(Cl)ccc(C)c2Cl)s1 3323175 NOEJEEWZKFLCPB-UHFFFAOYSA-N 405.376 5.096 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 3349272 KTHJLVFUCUOLMM-HSZRJFAPSA-N 400.522 5.618 0 40 HKAB CCCN(CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 4027714 RJLPRFHBCYYQNW-RSXGOPAZSA-N 409.614 6.286 0 40 HKAB biogenic O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccc(Br)cc1 4279335 XEIVIZHHDQPBOT-UHFFFAOYSA-N 417.372 5.626 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2Cl)cc1 4311381 RVXTVGBYGDFFIX-JTHBVZDNSA-N 409.316 6.544 0 40 HKAB CSC1=N[C@]2(C[C@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)CC(C)(C)N1 4553238 DSDFSXFVDPCKMS-VFNWGFHPSA-N 402.947 5.147 0 40 HKAB CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4)cc3)nc2c1 4560268 MFMNZELXAGCLTK-UHFFFAOYSA-N 415.518 5.745 0 40 HKAB CCCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4855913 SOMMUXBZFUINMP-AHWVRZQESA-N 414.505 5.726 0 40 HKAB Cc1nnc(C(CCN2CC3CCC(CC3)C2)(c2ccccc2)c2ccccc2)o1 5432906 HQSGXYWMLDKYLR-UHFFFAOYSA-N 401.554 5.225 0 40 HKAB CCOc1cc(C(=O)Nc2nc3c(C)cccc3s2)cc(OCC)c1OCC 6259914 SQRZYHFMKDQMPI-UHFFFAOYSA-N 400.500 5.053 0 40 HKAB COc1cc(/C=C/c2nc3cc(-c4ccccc4)ccc3o2)ccc1OCCC(C)C 6387663 JXMDWMKLDSBCKE-GXDHUFHOSA-N 413.517 7.099 0 40 HKAB Clc1ccccc1Cn1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1 6424084 YLRNKEFBRLDDIX-UHFFFAOYSA-N 420.943 7.586 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)c1 6648399 IGZNKLCLDPRCGK-UHFFFAOYSA-N 417.509 5.784 0 40 HKAB O=C(O)CC/C(=C/c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2s1 6885424 LDUSADNEACXDQR-VLGSPTGOSA-N 401.487 6.494 0 40 HKAB O=C(O)/C(=C/c1cccc2ccccc12)Sc1nnc(-c2ccc(Cl)cc2)o1 7603224 BGXVYOMXNZADAD-PDGQHHTCSA-N 408.866 5.761 0 40 HKAB S=C(c1ccccc1OCc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 9188011 IJYVSHMUNDBDEX-UHFFFAOYSA-N 422.981 5.417 0 40 HKAB CC(=O)Nc1ccc(C(=O)CSc2nc(-c3cccs3)nc3ccccc23)cc1 9442078 RCERXAXDKNIDKM-UHFFFAOYSA-N 419.531 5.292 0 40 HKAB Clc1ccc(-n2c(SCc3cccnc3)nnc2-c2c[nH]c3ccccc23)cc1 12536865 KVKXBIDLSIEFQW-UHFFFAOYSA-N 417.925 5.756 0 40 HKAB CCSc1nnc(NC(=O)C2(Cc3nc4ccccc4s3)CCCC2)s1 12568308 HDXDEOVAGJFSNA-UHFFFAOYSA-N 404.586 5.001 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1 12602517 MAZTZXWBVKULEA-HNNXBMFYSA-N 423.513 5.021 0 40 HKAB O=C1c2ccccc2N[C@H](c2ccccc2OCc2ccccc2)N1Cc1ccco1 12633304 GSVPGKXYRKUQSG-VWLOTQADSA-N 410.473 5.625 0 40 HKAB C[C@H](NC(=O)CCCc1nc2ccccc2s1)c1ccccc1Br 12776773 MSANOQAMSFUBHX-ZDUSSCGKSA-N 403.345 5.259 0 40 HKAB Cc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)Nc2nccs2)cc1 13365810 NLRIVDFVKBIEBB-UHFFFAOYSA-N 406.536 5.239 0 40 HKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cccc(Br)c1 13494653 XPVNTGNSYOSCCF-UHFFFAOYSA-N 408.255 5.213 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1nc(SCc2ccccc2Cl)ncc1Cl 13629271 URCXMGPRMVJDCO-UHFFFAOYSA-N 424.740 5.981 0 40 HKAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 14396945 DIPVDTYEKFDPAY-SFHVURJKSA-N 407.535 5.702 0 40 HKAB COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)c(C)s2)c(OC)c1 14406305 LRSNKVKWIQKAHJ-UHFFFAOYSA-N 423.321 5.695 0 40 HKAB O=C(Nc1nc(-c2ccccn2)cs1)c1nc(Cl)c(Cl)c(Cl)c1Cl 14689103 LXAHZXJLSGETFF-UHFFFAOYSA-N 420.108 5.466 0 40 HKAB Cc1ccc(/N=c2\scc(-c3ccc4c(c3)OCCO4)n2Cc2ccco2)c(C)c1 15913486 OBVRMLGGGPRJPX-IZHYLOQSSA-N 418.518 5.478 0 40 HKAB COc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl 16195827 DMAOUSSJJPWLSF-UHFFFAOYSA-N 420.311 6.010 0 40 HKAB Cc1ccc(Nc2nc(NCCC3=CCCCC3)nc3c2cnn3-c2ccccc2)cc1 17042472 DQLBQEIAPKQACT-UHFFFAOYSA-N 424.552 6.170 0 40 HKAB CCCC(=O)Nc1nc2ccc(NC(=O)COc3cccc4ccccc34)cc2s1 17091872 ZEDBIKTXCHQKIP-UHFFFAOYSA-N 419.506 5.206 0 40 HKAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2csc(C)c2)n1 19525574 QNSIHBDLBDHWPK-FQEVSTJZSA-N 406.555 5.228 0 40 HKAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2cccc3ccccc23)CC1 19880176 HYQAGGXMGFDKAK-UHFFFAOYSA-N 420.556 5.316 0 40 HKAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc2ccccc12 21433993 MUCCAWKISKZUIL-MRXNPFEDSA-N 404.897 5.958 0 40 HKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)N1CCC(Cc2ccccc2)CC1 22245394 AFKWLPREGCILIZ-UHFFFAOYSA-N 405.567 5.314 0 40 HKAB O=C(Nc1cccc(CNC[C@@H](c2ccco2)N2CCCC2)c1)c1ccccc1Cl 22933778 JUNMYIMKZXUOPB-QFIPXVFZSA-N 423.944 5.112 0 40 HKAB CN(C)[C@@H](CNC(=O)c1ccccc1SCc1ccsc1)c1ccsc1 23133240 GHOXPHHJSCVQSQ-SFHVURJKSA-N 402.610 5.135 0 40 HKAB O=C(Nc1ccccc1)Nc1ccc(C(=O)n2cccc/c2=N\C2CCCCC2)s1 24979629 DLWZBYGDMDVIDA-HIXSDJFHSA-N 420.538 5.116 0 40 HKAB CC(C)(C)c1ccc([C@@H]2NC[C@@H](c3ccccc3Cl)c3c2[nH]c2ccccc32)cc1 25461385 UGXNYROYRGWPQA-OFVILXPXSA-N 414.980 6.943 0 40 HKAB CC(C)c1noc([C@H](C)Sc2ncnc3scc(-c4ccc(F)cc4)c23)n1 27780114 HPHJRVPZHLUUNI-NSHDSACASA-N 400.504 5.857 0 40 HKAB C[C@H](Sc1nccn1-c1ccc(Br)cc1)c1nc(-c2ccco2)no1 29739679 MIMVLAHLJGMVRA-NSHDSACASA-N 417.288 5.131 0 40 HKAB COc1ccccc1C(=O)Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 32623566 JXULLAIDCOPKHT-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB Cc1cccc(Nc2c(-c3cc(Br)ccc3O)nc3cnccn23)c1C 35616236 DWRBBVAQMPKKME-UHFFFAOYSA-N 409.287 5.225 0 40 HKAB O=C(NCCSCc1ccccc1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 36395275 GVGCAKPBZFPMOR-MOPGFXCFSA-N 408.592 5.396 0 40 HKAB Cc1ccc(-c2csc3c(=O)n(CC(=O)Nc4ccc(C)cc4Cl)cnc23)cc1 38651701 PSDQXOZOJMFDCF-UHFFFAOYSA-N 423.925 5.034 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1 40040614 ZBWRMPYNHVGKGR-UHFFFAOYSA-N 403.482 5.472 0 40 HKAB CCc1nn2c(nnc3c(=O)n([C@@H]4CCCC[C@H]4C)ccc32)c1-c1ccc(Cl)cc1 40395905 YGLDQCYLBABFEF-RDTXWAMCSA-N 421.932 5.073 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(F)ccc1C 49005041 YCPQDJGCMOQXJR-GOSISDBHSA-N 406.505 5.534 0 40 HKAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1ccc(Cl)c(C)c1 82086737 SNWINJZIEKTJDK-JOCHJYFZSA-N 411.933 5.151 0 40 HKAB CCCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N/c1ccccc1 100857975 TYOFQDFUJUNEAB-OCOZRVBESA-N 417.534 6.013 0 40 HKAB Cc1cc(C)c(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c(C)c1 223849993 GYJZNCQZOVFKAG-STZFKDTASA-N 404.535 5.391 0 40 HKAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1ncc(Cl)cc1Br 223908311 YWCHEHRYRXAPHV-UHFFFAOYSA-N 422.735 5.244 0 40 HKAB Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1 224174571 LEZBOOPCRWHQDZ-BJKOFHAPSA-N 410.546 5.358 0 40 HKAB CCCO[C@@]1(C(=O)Nc2ccc(OCCCN(CC)CC)cc2)CCC[C@@H](C)C1 225663648 DCMNOCLNCQNAIT-YKSBVNFPSA-N 404.595 5.111 0 40 HKAB COc1cccc(-c2ccc(C(=O)NCc3ccnc(-c4ccsc4)c3)cc2)c1 225755386 POHCDTPHYOJCLK-UHFFFAOYSA-N 400.503 5.416 0 40 HKAB CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CCC(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 257348516 GOAKSZGUPAKILO-VIUFNMEASA-N 410.730 8.910 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4cccc(C(=O)O)c4)o3)N21 260769216 KNPOPJMDJSIINL-CZAAIQMYSA-N 419.506 5.019 0 40 HKAB Cc1nc(-c2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)cc2)c(C)s1 408580049 MTEJOMQXYLTXIH-UHFFFAOYSA-N 421.747 6.095 0 40 HKAB Cc1ccccc1Oc1ccc(C(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 408624340 VPAWDZMPNVVFJT-UHFFFAOYSA-N 423.295 7.585 0 40 HKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccccc1OCc1ccccc1Cl 408737406 PCZSDIHOIDRTNS-MOSHPQCFSA-N 424.283 5.917 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc3c4c(cccc14)CC3)N2 408994760 IPQDLLTVOSEUJY-WIRXVTQYSA-N 417.508 6.108 0 40 HKAB COc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccc(Cl)cc2)cc1 409102776 VZCKSOTUUOJAEF-UHFFFAOYSA-N 421.953 6.197 0 40 HKAB CCOc1ccc(NCc2cc(Br)ccc2OCc2ccccc2)cc1 409114611 KNFOAVUBBWMUEB-UHFFFAOYSA-N 412.327 6.039 0 40 HKAB Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 409168267 PKXKWSJOOUITPQ-UHFFFAOYSA-N 404.535 5.046 0 40 HKAB COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCCOc1ccc(Cl)cc1 409194510 MQHYQIUTZJZXRJ-XSFVSMFZSA-N 421.880 5.299 0 40 HKAB COCCCN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 409246562 CVBSYPFRPAFKJQ-GDNBJRDFSA-N 412.294 5.326 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 674738 SSHXQZRAESWAHE-UHFFFAOYSA-N 402.494 5.254 0 40 HKAB CCOC(=O)c1c(C)n(Cc2ccc(OC)c(OC)c2)c2c1cc(O)c1ccccc12 709687 VZRHVNMNORHWFD-UHFFFAOYSA-N 419.477 5.051 0 40 HKAB CC[C@@H](C(=O)Nc1ccc(NC(=O)[C@H](CC)c2ccccc2)cc1)c1ccccc1 799345 SFENWLVHVDXZET-DNQXCXABSA-N 400.522 5.951 0 40 HKAB Cc1c(C(C(=O)c2ccccc2)c2c(C)n(C)c3ccccc23)c2ccccc2n1C 1007433 DWUAHQZOHARTFZ-UHFFFAOYSA-N 406.529 6.302 0 40 HKAB Cc1cc(NC(=O)SCCOC(=O)COc2ccc(Cl)cc2)ccc1Cl 1640272 NBTWCGBSNORQOI-UHFFFAOYSA-N 414.310 5.189 0 40 HKAB O=Cc1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 2187164 ABEPSQZVZNRXCY-UHFFFAOYSA-N 424.496 6.236 0 40 HKAB COc1ccccc1NC(=O)C[C@@H](c1ccc(C)cc1)c1ccc(OC(C)C)cc1 2246657 KXUHDSPORWBIOU-QHCPKHFHSA-N 403.522 5.952 0 40 HKAB Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(Cl)c2)sc1C 2258158 CWKAMFMFGMNOJK-GOSISDBHSA-N 422.893 5.270 0 40 HKAB Cc1cccc(NC(=O)c2c(N)n(-c3ccc(C)c(C)c3)c3nc4ccccc4nc23)c1 2290973 YYVCAAJMSMFIKY-UHFFFAOYSA-N 421.504 5.333 0 40 HKAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1C(C)C 2449289 XBRXQCDHQQUTLE-UHFFFAOYSA-N 424.570 5.040 0 40 HKAB CCCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 2651011 BVSOEDJGQYTDJF-UHFFFAOYSA-N 422.598 5.159 0 40 HKAB CCCN(CCC)C(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 2750548 CMACSBMBJNROJY-UHFFFAOYSA-N 401.337 6.471 0 40 HKAB O=C(COC(=O)c1c(Cl)ccc(Cl)c1Cl)Nc1cccc2ccccc12 3285357 WMGYPURDUWAWIO-UHFFFAOYSA-N 408.668 5.596 0 40 HKAB Cc1ccc(-c2csc(=S)n2CC(=O)OCC(=O)c2ccc(Cl)s2)cc1 3309869 KRJFBEJUXOYZMR-UHFFFAOYSA-N 423.968 5.396 0 40 HKAB C[C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)N(C)c1ccccc1 3355759 KHEGCJQECMYSQV-MRXNPFEDSA-N 420.563 5.139 0 40 HKAB COc1ccc(Cc2noc(-c3cc(-c4ccc(F)cc4)nc4ccccc34)n2)cc1 3583695 SRWLPWFEZOPDGW-UHFFFAOYSA-N 411.436 5.690 0 40 HKAB COc1ccc(O[C@H]2C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2Cl)cc1 3625434 XLOBFWGIQZGZSS-XZOQPEGZSA-N 407.897 5.501 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 4119091 HWUIPQXIGMLENR-UHFFFAOYSA-N 404.680 6.130 0 40 HKAB Oc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3ccccc3S2)cc1 4159303 DOTYQQWIPJLMIR-OAQYLSRUSA-N 410.336 6.513 0 40 HKAB Cc1ccc(-c2nc(NC(=O)c3ccccc3Cl)sc2-c2ccccc2)cc1 4700039 LWRQWPUIFQAZLN-UHFFFAOYSA-N 404.922 6.691 0 40 HKAB CCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 4902452 VSTIGLKSOVVUOA-UHFFFAOYSA-N 402.881 6.206 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2CC2CCCCC2)CN1CCc1ccccc1 4911292 WLWIBZXLPISCOF-QFIPXVFZSA-N 401.554 5.175 0 40 HKAB COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)c1 5217035 GLHGQZPOQWRWTJ-OYDLWJJNSA-N 415.961 5.226 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 5672906 FTOVECSPTQEFRB-CQSZACIVSA-N 403.519 5.467 0 40 HKAB CCOc1c(Cl)cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1Cl 6352999 MLGOSRRKPAVCMC-UHFFFAOYSA-N 413.732 5.008 0 40 HKAB Cc1ccc(NC(=O)[C@H](Sc2nnc(-c3ccoc3C)n2C)c2ccccc2)cc1 7236397 YOXWHOZPHBPQDH-HXUWFJFHSA-N 418.522 5.164 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2)c2cccnc2)c1C 7277673 OGBQNZPHHCHDQT-HSZRJFAPSA-N 413.546 6.214 0 40 HKAB CCCc1nnc(S/C(=C\c2ccc(Sc3ccc(C)cc3)o2)C(=O)O)[nH]1 7342292 DDFGNSFGWGUVFO-PTNGSMBKSA-N 401.513 5.028 0 40 HKAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccco1 7616084 LSVYJPYDNQUKFE-HSZRJFAPSA-N 410.477 5.138 0 40 HKAB CCOc1ccc(C(=O)CCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 8086332 JSRXNJXCKDDNRY-UHFFFAOYSA-N 422.550 5.064 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)c3oc4c(F)cccc4c3C)n2)c1 8210701 UUWJDUFJYDTYIU-UHFFFAOYSA-N 412.442 5.273 0 40 HKAB CC(C)Sc1ccccc1C(=O)NCCSCc1ccc(Cl)c(Cl)c1 8497115 YXHOVJNRFGUCED-UHFFFAOYSA-N 414.423 6.157 0 40 HKAB C[C@@H](NC(=O)CN1CCC[C@H](c2nc3ccccc3s2)C1)c1cc2ccccc2o1 9051988 RAHRZHHUSUJOLR-AEFFLSMTSA-N 419.550 5.099 0 40 HKAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 9054098 AEXJHHQSJFILFO-HNNXBMFYSA-N 402.450 5.630 0 40 HKAB COc1ccc(NC(=O)c2cc3cc(Cc4ccccc4Cl)ccc3oc2=O)cc1 9235460 YDXQBFGCVKEFHD-UHFFFAOYSA-N 419.864 5.298 0 40 HKAB Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)c1 9435989 XLAHDKFFWJBEKH-NTEUORMPSA-N 417.306 5.627 0 40 HKAB Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc(Br)c2)cc1 9458647 AYKVYBMKMHNTPW-UNMCSNQZSA-N 423.285 5.831 0 40 HKAB CC(=O)c1c(OCC(=O)c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1 10339472 XDVBIFCSTQNKOY-UHFFFAOYSA-N 415.876 6.020 0 40 HKAB Cc1nn([C@H](C)CC(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)c(C)c1Cl 12188175 CSFVIJQEZPBRNV-QRWLVFNGSA-N 410.949 5.059 0 40 HKAB FC(F)(F)c1nc(SCc2csc(-c3ccccn3)n2)c2ccccc2n1 12479912 GJCYIZWYXBIVPU-UHFFFAOYSA-N 404.442 5.459 0 40 HKAB CCn1c(SCc2cccc(C(=O)O)c2)nnc1-c1ccc(Cl)cc1Cl 13061546 DOUFDGGVJXNNFN-UHFFFAOYSA-N 408.310 5.262 0 40 HKAB c1ccc(CNc2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CCC4)cc1 13284499 TZSVMRHEODKVDI-UHFFFAOYSA-N 408.530 6.007 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(-c3cccs3)c(-c3cccs3)n2)c(C)c1 13566474 VZQIHXBXSISKFE-UHFFFAOYSA-N 423.588 5.920 0 40 HKAB C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc(F)cc1Cl 14076783 GLFTYTREWJPQGU-SSDOTTSWSA-N 413.223 5.666 0 40 HKAB COc1ccc(-c2ccc(C(=O)Nc3ccccc3N3CCCCC3)o2)cc1Cl 16226913 BSXHZAAVAQZGFB-UHFFFAOYSA-N 410.901 5.851 0 40 HKAB CCc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4Cl)nccn3n2)cc1 16841621 GSOCRNRUYFDXKU-UHFFFAOYSA-N 422.941 5.343 0 40 HKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(F)c(Cl)c1 17088674 FJCVEZUEYLIOOE-ZZXKWVIFSA-N 410.659 6.698 0 40 HKAB CCC(CC)C(=O)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19500087 GTPJNWOTLNUUEZ-HXUWFJFHSA-N 415.541 5.034 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4ccc(CO)o4)ccc3C)o2)cc1Cl 20140330 CPVIEPCZHSXSGH-UHFFFAOYSA-N 421.880 6.221 0 40 HKAB COc1ccc([C@H]2CCCN2[C@@H](C(=O)O)c2c[nH]c3ccccc23)c2ccccc12 20732899 GOWTWRWLJRTLTD-ISKFKSNPSA-N 400.478 5.293 0 40 HKAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1ccc(C)c(C)c1 21787491 QYWFPJZDUVGZTQ-XMMPIXPASA-N 405.542 5.196 0 40 HKAB COc1ccc(CCNCc2ccc(-c3ccc(Br)cc3)o2)cc1OC 22076606 XIWYBLQPGOBUMN-UHFFFAOYSA-N 416.315 5.059 0 40 HKAB O=C(N[C@@H](Sc1nc2ccccc2s1)C(=O)c1cccs1)c1ccccc1 27061731 JERLTJFJCZYGFH-IBGZPJMESA-N 410.545 5.089 0 40 HKAB Cc1cc(Nc2ccc(Cl)cc2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 27585638 MIBGRHDAMJIXBL-UHFFFAOYSA-N 402.807 6.121 0 40 HKAB Cc1cccc(OCC(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCCCC2)c1C 28291822 RTXNQNCQLBEKLO-XMMPIXPASA-N 408.586 5.149 0 40 HKAB O=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCN(c2ccccc2)CC1 29505003 DMJDPGCFQAGNLR-UHFFFAOYSA-N 415.518 5.033 0 40 HKAB CCOc1ccccc1Nc1nnc(S[C@@H](C)c2nc(-c3ccco3)no2)s1 29738591 PBXOXTRLTYYYDF-NSHDSACASA-N 415.500 5.177 0 40 HKAB Cc1ccc(NC(=O)c2nnc(CSC3=Nc4ccccc4CS3)s2)cc1 41905168 NWPHAAKVNPMWOO-UHFFFAOYSA-N 412.565 5.267 0 40 HKAB CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(C(F)(F)F)c1 44087839 PKNUHSRCXCWUES-UHFFFAOYSA-N 417.283 6.977 0 40 HKAB COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 44933171 MYTWDVLCZPIJSW-RDJZCZTQSA-N 421.368 5.091 0 40 HKAB O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Cl)c(Cl)c1)N1CCCCC1 64658275 NVUMXPCPLNUTLM-UHFFFAOYSA-N 418.299 6.050 0 40 HKAB CC(C)(NC(=O)c1c(F)cccc1NCCN1CCCCC1)c1cccc(Cl)c1 66089362 AWMOZVYIJQIDRV-UHFFFAOYSA-N 417.956 5.042 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(F)cc3Cl)oc12 67293559 LMGFKKZEUDUMOT-ROMGYVFFSA-N 423.831 5.114 0 40 HKAB CSc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1 67294476 IPTSTTCDHXBDHX-RWEWTDSWSA-N 420.921 6.293 0 40 HKAB CC(C)n1c(CN2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)nc2ccccc21 72347908 AAMVRGHHYCQQPK-UHFFFAOYSA-N 424.932 5.016 0 40 HKAB COc1cc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)ccc1OCC(C)C 96767641 FGMJOBWPYNOONU-ATVHPVEESA-N 411.523 5.745 0 40 HKAB CC(C)Oc1ccccc1/C=C1\SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O 106712149 NXWAFNDNNRTBPR-ZDLGFXPLSA-N 422.333 6.017 0 40 HKAB COc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1cccc(Cl)c1 107034993 VKXJBKLJLMXESA-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1C 216295697 WQADYADTHSGIDM-DEOSSOPVSA-N 405.563 6.392 0 40 HKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 222820323 KTYJBOVAIBZGOA-VQTJNVASSA-N 414.937 5.046 0 40 HKAB CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1 222936845 GHVDGOCOGSMBFV-HSZRJFAPSA-N 411.586 5.679 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccccc1C(C)C 224229407 DGYQWPWOLBYRKE-UHFFFAOYSA-N 423.940 6.612 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)c1 224232235 XLVDLNAXIUHLTF-XZOQPEGZSA-N 404.583 5.566 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1CSc1ccc(Cl)cc1 224345774 DJBGYSXYRQFQMH-INIZCTEOSA-N 411.954 6.132 0 40 HKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 224428763 SXWZBARIGOGEIX-FGZHOGPDSA-N 406.530 5.314 0 40 HKAB O=C(NCc1ccccc1CN1CCCCC1)/C(=C/c1ccco1)c1ccccc1 224807426 AZMLITQIYQHGEO-XIEYBQDHSA-N 400.522 5.123 0 40 HKAB COc1ccc(C2(NC(=S)Nc3ccc(C)c(Cl)c3)CCCC2)cc1OC 225852620 ZPBFXYDNJFZYOC-UHFFFAOYSA-N 404.963 5.422 0 40 HKAB CCc1cc(Br)cc(CC)c1NC(=O)c1ccc(Br)cc1 226092533 VRKJDLOEJCSVHK-UHFFFAOYSA-N 411.137 5.589 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(NC(=O)Cc2ccccc2)cc1 408576191 VQTMLUDAFAICQO-FBMGVBCBSA-N 422.484 5.780 0 40 HKAB Cc1c(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c2ccccc2n1C 408635355 ZTQWKKOSOIHRJJ-WQRHYEAKSA-N 424.913 5.143 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccc(Cl)cc2)c1 408696796 BYDMAPCXHWOLJD-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 408729278 YVYQDQHPCLZWIW-PJYWLYPCSA-N 413.904 5.085 0 40 HKAB CCc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408771005 CASXYGNWKXNMTL-RUZDIDTESA-N 416.546 5.276 0 40 HKAB CCOc1ccc(-c2c(C)s/c(=N\C(=O)C34CC5CC(CC(C5)C3)C4)n2C)cc1 409206622 YRFRQQLHHTWVAQ-BZZOAKBMSA-N 410.583 5.104 0 40 HKAB Cc1ccc(-c2cc(C(F)(F)F)nc(SCc3cccc(C(=O)O)c3)n2)cc1 409384821 DRHLGEUBACLVPY-UHFFFAOYSA-N 404.413 5.461 0 40 HKAB CC1=C(C(=O)OCCC(C)C)C(c2ccccc2)C(C(=O)OCCC(C)C)=C(C)N1 851610 POPOYCKYMWZBTB-UHFFFAOYSA-N 413.558 5.100 0 40 HKAB COc1ccc(-c2csc(N(CCc3ccccc3)C(=O)C3CCCCC3)n2)cc1 929105 NWBNYFZTHKKWEA-UHFFFAOYSA-N 420.578 5.975 0 40 HKAB O=C(COC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(F)cc1 992743 GZQQZMYWEQPQAV-UHFFFAOYSA-N 419.839 5.734 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)Nc3ccccc3)cc2c1 1353158 UOJSQAQFBXMTJX-UHFFFAOYSA-N 411.505 5.113 0 40 HKAB CCCCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1 1748315 VTUKPUJXIKJKGY-CQSZACIVSA-N 400.858 5.224 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)nc2c1 1775635 AGACANGDTYZSDP-OAHLLOKOSA-N 404.897 6.914 0 40 HKAB COC(=O)c1c(NC(=O)COc2ccccc2C(C)C)sc(C)c1-c1ccccc1 1979821 HZUJBEUGMBXJMT-UHFFFAOYSA-N 423.534 5.651 0 40 HKAB COc1cc(CNc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 2094062 IGGGAMJJLMVENB-UHFFFAOYSA-N 412.327 5.957 0 40 HKAB Cc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4cccc(C)c4)C(=O)N32)c1 2152735 LGUNDKIDZSDIJC-UKILVPOCSA-N 421.500 5.268 0 40 HKAB biogenic Ic1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1 2198377 ACHFHMFHKSDMFQ-UHFFFAOYSA-N 408.242 5.568 0 40 HKAB CCCCCOc1ccccc1/C=C/[C@@]12NC(=O)CCN1c1ccccc1C2(C)C 2454104 LEZJUWKEKCYJMT-OFOQCOESSA-N 404.554 5.283 0 40 HKAB Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 3059169 GANMBEAFEKBBNY-HXUWFJFHSA-N 410.344 6.555 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1 3094516 GYCQFUXDYYIFMI-UHFFFAOYSA-N 423.266 5.518 0 40 HKAB Cc1ccc(-n2c(N)c(C(=S)Nc3ccccc3)n(-c3ccccc3)c2=S)cc1 3269725 WGTSQJYYAFALIO-UHFFFAOYSA-N 416.575 5.676 0 40 HKAB c1cc2c(cc1Nc1nc(CN3CCCCC3)nc3sc4c(c13)CCC4)CCC2 3303013 ZTRBFVHDVORHBJ-UHFFFAOYSA-N 404.583 5.398 0 40 HKAB C[C@@H](Sc1nnc(NC(=O)CSCc2ccccc2)s1)c1ccccc1 4088054 XGJRQEJVIXIGJQ-CQSZACIVSA-N 401.582 5.263 0 40 HKAB COc1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2-c2ccccc2)cc1 4124400 QKHZOCJPYZVQGX-UHFFFAOYSA-N 407.926 5.889 0 40 HKAB CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2)cc1 4872066 CEWBLLUBUURYNV-ISKFKSNPSA-N 404.897 5.981 0 40 HKAB CCCc1ccc(-c2csc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5=C(C)C)[C@H]4C3=O)n2)cc1 4902212 GGWYDROXNIJJJZ-BTYSMDAFSA-N 406.551 5.244 0 40 HKAB Cc1c(CC(=O)NCCc2ccccc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 5235700 HOQDKEIXURDHHM-UHFFFAOYSA-N 417.505 5.047 0 40 HKAB COc1ccccc1[C@@H](CC(=O)Nc1cccc(C)c1)c1ccc(OC(C)C)cc1 5302766 VBXCVPQFJSOVGI-DEOSSOPVSA-N 403.522 5.952 0 40 HKAB CC1(C)[C@H]2CC[C@]1(C)[C@H](Sc1nc(-c3ccccc3)c(-c3ccccc3)o1)C2=O 5415872 UTQZKCXZZKAKBJ-QRJOEMBSSA-N 403.547 6.495 0 40 HKAB Cc1ccc(C(=O)Oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 5516288 KBXIOWJJPRCLSU-UHFFFAOYSA-N 417.486 5.168 0 40 HKAB CCOc1ccc(N[P@](=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c2ccccc2)cc1 5524448 IRXPWPJDQDPAQU-GRXXMPIVSA-N 415.514 6.493 0 40 HKAB CCCCc1ccc(-c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)cc1 5671701 ZGXGGLLTDWLRNV-UHFFFAOYSA-N 404.457 6.424 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Sc1nccc(-c2ccccc2)n1 5921377 JFDWRHSOBCIJAI-UHFFFAOYSA-N 407.882 5.693 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1Cl 6424861 KNVLXCXWHVBULB-UHFFFAOYSA-N 406.869 6.026 0 40 HKAB O=C1Nc2ccccc2/C1=C\c1cn(Cc2cccc3ccccc23)c2ccccc12 7099068 BQGYSYJAHVFYRN-PCLIKHOPSA-N 400.481 6.336 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8310370 STYHILLVVSISOK-OAQYLSRUSA-N 408.542 5.055 0 40 HKAB COc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1cccs1 8534862 BAQRAXNLYMJCNL-PYZOSGAUSA-N 411.611 6.030 0 40 HKAB Cc1ccc(C)c(N2C(=O)[C@H]3[C@@H](c4ccccc4)C=C[C@H](c4ccccc4)[C@H]3C2=O)c1 8826611 NEZLLAPYDIROPG-YUEVXQQWSA-N 407.513 5.546 0 40 HKAB Cc1nc(-c2cccnc2)sc1-c1ccc(SCc2ccc(Cl)cc2)nn1 8876027 LOCSOWFBIUQDRR-UHFFFAOYSA-N 410.955 5.916 0 40 HKAB O=C(CCCSc1nnc(-c2ccccc2Br)o1)c1ccc(F)cc1 8966359 AGZZSWNTWUYMBZ-UHFFFAOYSA-N 421.291 5.393 0 40 HKAB Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)cc(-c2nc3ccccc3o2)c1O 8992006 IGKZLZMNUCKZLJ-UHFFFAOYSA-N 413.260 6.068 0 40 HKAB COCCc1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)cc1 9053527 URQIBBSSXBSTGA-UHFFFAOYSA-N 417.328 5.014 0 40 HKAB COc1ccc(SCCCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 10217960 NZFZPXHAVXYNQG-UHFFFAOYSA-N 414.552 5.338 0 40 HKAB CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)c4ccccc4)n3)ccc21 12220042 UHOODFJKETWXAK-UHFFFAOYSA-N 419.550 5.022 0 40 HKAB CCCn1c(-c2ccc3ccccc3c2)cs/c1=N\c1cccc(C(F)(F)F)c1 12411501 ZPWVZDIQKNEVGA-QYQHSDTDSA-N 412.480 7.031 0 40 HKAB Cc1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccc(Cl)cc32)cc1 12486509 KTXQKCURDCZMIC-UHFFFAOYSA-N 424.729 5.845 0 40 HKAB Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 12600119 BXOLJAFMWWLPLB-QGZVFWFLSA-N 420.896 5.432 0 40 HKAB Cc1nc(-c2ccc(CNC(=O)C3c4ccccc4Oc4ccccc43)o2)cs1 12619158 ZWVCZLHDECRZNK-UHFFFAOYSA-N 402.475 5.266 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCCCC2)cc1Cl 13609512 QJFXRQOOANXVKA-UHFFFAOYSA-N 424.928 5.290 0 40 HKAB CC(C)c1ccc(N2C(=O)N(Cc3cccc(F)c3)c3ccccc3S2(=O)=O)cc1 15827258 ZUBXPXKNLWVDMT-UHFFFAOYSA-N 424.497 5.285 0 40 HKAB CC1(C)[C@@H](C(=O)Oc2cccc3ccccc23)[C@@H]1C=C(Br)Br 16577166 LCWOCTSWSRGYOZ-XJKSGUPXSA-N 424.132 5.649 0 40 HKAB CC(C)(C)CC(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19082644 ZWJSLWNJYBJEIZ-OAQYLSRUSA-N 415.541 5.382 0 40 HKAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 20105329 NVIJDPXXRGWOPH-IBGZPJMESA-N 421.512 5.612 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccccc1Br 20137835 MQAIASNECCZWGC-UHFFFAOYSA-N 406.663 5.107 0 40 HKAB O=C(NCc1ccc(Cl)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 20238873 CWWCHGLJDNPLDL-UHFFFAOYSA-N 402.346 6.216 0 40 HKAB Cc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4cccc(Cl)c4)c3c2c1 21017578 FBXAZVCGAJMDNY-UHFFFAOYSA-N 404.300 6.856 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccccc1Br 21580272 LVZPCNNCAAFADI-UHFFFAOYSA-N 422.282 5.253 0 40 HKAB C[C@H](NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 22074207 MVDDTXCMPXGHAZ-HNNXBMFYSA-N 420.767 7.077 0 40 HKAB COc1ccccc1-c1nnc(SCc2c(C)noc2C)n1CCc1ccccc1 23042850 QZODMPOPOMDMMQ-UHFFFAOYSA-N 420.538 5.094 0 40 HKAB CCN(C(=O)COc1ccc(C)cc1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993024 CXHYMBGEWVVTFK-MHZLTWQESA-N 412.533 5.802 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c(O)c2)c1 32105944 LVBFVJUCPGTHTK-UHFFFAOYSA-N 403.438 5.027 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 33902804 LNGLEOIUQBVRRY-XYLRQVFISA-N 400.647 6.856 0 40 HKAB Cc1ccccc1-n1c(=S)[nH]c(=O)c2c(C(F)F)cc(-c3ccc(F)cc3)nc21 36617218 WCBRILVSJACJEV-UHFFFAOYSA-N 413.424 5.495 0 40 HKAB Cc1ccc(NC(=O)CCNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1C 41157454 PEAZUBAQALWENY-UHFFFAOYSA-N 423.516 5.277 0 40 HKAB Cc1ccc(-n2nc3c(c2NC(=O)c2nc4ccccc4s2)CSC3)c(C)c1 42379359 HRCJOURZWNLAPC-UHFFFAOYSA-N 406.536 5.098 0 40 HKAB CN(Cc1ccc(C(F)(F)F)cc1)Cn1nc(C2CC2)n(-c2ccccc2)c1=S 57395315 WEUVDZVAYOGXCW-UHFFFAOYSA-N 418.488 5.389 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@H](C)c1ccc(Cl)cc1Cl 57475483 FRANOVLITKESCQ-CYBMUJFWSA-N 417.340 5.085 0 40 HKAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C 59781999 UOBJABFYUYQOQN-UHFFFAOYSA-N 424.416 5.833 0 40 HKAB C[C@H](c1ccccc1)N(Cc1nnc(-c2ccc(Cl)cc2Cl)o1)CC1CC1 60339132 IOAPCIOZTQWIJL-CQSZACIVSA-N 402.325 6.017 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)N(CCc1ccccc1)Cc1ccccn1 61974317 PVPHANWCOQQSTF-UHFFFAOYSA-N 415.320 5.039 0 40 HKAB Cc1cc(C)cc(NC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)c1 64472721 YGDHOBAVAAHSBQ-UHFFFAOYSA-N 406.938 6.728 0 40 HKAB FC(F)(F)c1ccc(Cc2cccc(C3CCN(C4CCOCC4)CC3)n2)cc1 72350105 MPZZCLREYUNEMU-UHFFFAOYSA-N 404.476 5.050 0 40 HKAB Cc1cc(C)c2nc(-c3cc(Br)cc(Br)c3N)sc2c1 73635463 IERHOLGZIMEPDA-UHFFFAOYSA-N 412.150 5.687 0 40 HKAB CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Nc1ccc(-c2nccs2)cc1 79015103 RBQGAEWJPAIMFH-HXUWFJFHSA-N 413.518 5.173 0 40 HKAB COC(=O)c1c(CN(C)[C@H](C)c2cccnc2)nc2ccccc2c1-c1ccccc1 95446715 GBMVCAMFIIZKEW-GOSISDBHSA-N 411.505 5.276 0 40 HKAB CC(C)c1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(F)cc2)no1 98211412 DGEQHZDTXANYLC-UHFFFAOYSA-N 404.445 5.106 0 40 HKAB Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@H]([C@H]6C[C@@H]65)[C@H]4C3=O)cc2)c1 100664051 VOVSFTFOXZXHLQ-RAEUIGNCSA-N 413.517 5.468 0 40 HKAB CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1ccccc1Cl 107042953 QIJZYCOJDVZQAR-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB CC1CCN(c2ccc(C(=O)Nc3cccc(CN4CCCC[C@@H]4C)c3)cc2)CC1 141539315 BFOYALJUHGYBOC-NRFANRHFSA-N 405.586 5.550 0 40 HKAB C[Si](C)(C)c1c(Cl)c(Cl)c(Br)c(C(=O)O)c1C(F)(F)F 195976488 KQOXBMZVYDAZSU-UHFFFAOYSA-N 410.089 5.018 0 40 HKAB COc1ccc2cc(S(=O)(=O)N[C@H](c3ccccc3)c3ccc(C)cc3)ccc2c1 223030453 XFIHHZPRHULXRU-RUZDIDTESA-N 417.530 5.225 0 40 HKAB COc1ccc(/C=C(/C(=O)NCCOc2cccc(C)c2C)c2ccccc2)cc1 223900655 DGWKHMTVJXSGKL-HKOYGPOVSA-N 401.506 5.048 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1c1ccc(Cl)cc1 224460635 FEDLMODKYUYJEW-FGZHOGPDSA-N 422.985 5.829 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)C1CCN(Cc2ccccc2Cl)CC1 224533032 DDGDPIOUOHGKSR-UHFFFAOYSA-N 418.924 6.090 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1Cl 225354149 RUJMQKYYNGDJEV-HNNXBMFYSA-N 408.885 5.092 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225908875 IYTLXLDVQCMZKC-XMMPIXPASA-N 400.563 5.974 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2C(=O)c2ccnn2C(C)C)n1 257214865 CNTNSZJSLLDOAJ-JOCHJYFZSA-N 406.505 5.341 0 40 HKAB COc1cccc(C(=O)N2CCC[C@@H](c3cc(-c4ccccc4)cc(C)n3)C2)c1OC 257306939 SWQMZTIQQPXVNN-HXUWFJFHSA-N 416.521 5.094 0 40 HKAB COc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 408949802 CGUTUBGHPUPXFP-MOSHPQCFSA-N 424.909 5.376 0 40 HKAB CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc21 409110866 ANODDDQXSFOEHW-MOSHPQCFSA-N 424.327 6.480 0 40 HKAB COc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1cccc2ccccc12 409128437 FOWIQPMCNWWNED-UHFFFAOYSA-N 417.936 7.001 0 40 HKAB CC(C)C(NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2)C(C)C 409177520 BOBZZDYJQLIVBS-UIAWITAWSA-N 416.609 6.394 0 40 HKAB CCOc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(OC)cc3)sc2C)cc1 409195863 RHEMPZVKEKAAPV-UHFFFAOYSA-N 424.522 5.127 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409212965 SOFMXIRVXSGFKK-SGEFVQMOSA-N 422.333 6.412 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2cccc(C)c2)cc1 409382295 RCFIVMRVNKHGCI-UHFFFAOYSA-N 403.906 5.491 0 40 HKAB Cc1cc2c(cc1-c1ccnc3nc(-c4ccc(Cl)cc4)nn13)[C@H](C)CC(C)(C)N2 575473075 DPSAKHGSDFZZBB-OAHLLOKOSA-N 417.944 6.118 0 40 HKAB COc1ccc(C(=O)Nc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)cc1 676056 LJNYJDFAGVJIAR-UHFFFAOYSA-N 404.297 5.116 0 40 HKAB COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C)cc4C)c3n2)cc1 1003106 ANWPWFYSVKLLKZ-UHFFFAOYSA-N 422.435 5.212 0 40 HKAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(C(=O)c1cccs1)c1ccc(F)cc1 1376096 STGXERNAOZFJKD-JOCHJYFZSA-N 422.525 5.334 0 40 HKAB CCCCC[C@H](CN(C)C)C(=O)C[C@@H](SCC)c1ccc(Cl)c(Cl)c1 1573430 BMJQGJIEPWCNSQ-OXQOHEQNSA-N 404.447 6.505 0 40 HKAB Brc1ccc2c3c(ccc2c1)OC(c1ccccc1)(c1ccccc1)O3 1628276 XZXWINPMGIQDPO-UHFFFAOYSA-N 403.275 6.275 0 40 HKAB CCOc1ccc(Oc2c(C)oc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1 1799831 NQEPRABLBIKNCW-UHFFFAOYSA-N 420.436 6.011 0 40 HKAB CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc(OC)cc3OC)c2c1 1892585 VSFACYIDICVGEM-SLEBQGDGSA-N 415.489 5.920 0 40 HKAB CCc1c(C)c2ccc(OCC(=O)c3c(C)n(C)c4ccccc34)c(C)c2oc1=O 2093098 CXAIAGOLMAWQEQ-UHFFFAOYSA-N 403.478 5.034 0 40 HKAB biogenic O=C1c2ccccc2[C@](O)([C@H](Cc2ccccc2)c2ccccc2)N1Cc1ccccc1 2117976 TUSWLPKKCDOOCI-PXJZQJOASA-N 419.524 5.514 0 40 HKAB CCCNC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C(C)(C)C)C2 2182362 KOWIJGPAIIVUMZ-ZDUSSCGKSA-N 404.601 5.353 0 40 HKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Cl)c2)N1Cc1ccccc1 2224595 PVRLTWWHYCTLPZ-NRFANRHFSA-N 401.849 5.192 0 40 HKAB CSc1nc2sc3c(c2c2nnc(SCc4ccccc4)n12)CC[C@H](C)C3 2296410 QBTDDDYGKURSSY-LBPRGKRZSA-N 412.609 5.478 0 40 HKAB CCCNC(=O)c1c(-c2ccccc2)c2c3n(c(-c4ccc(C)cc4)cn13)CCCC2 2332851 CLBNUFSCZMUXKH-UHFFFAOYSA-N 411.549 5.859 0 40 HKAB CC(C)c1ccc([C@@H](O)[P@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 2361195 IKIKBTCKJMZFEA-SETSBSEESA-N 423.493 5.687 0 40 HKAB Cc1sc2nc(SCc3ccccc3F)n(Cc3ccco3)c(=O)c2c1C 2383477 DGFZBXSXXYUFFD-UHFFFAOYSA-N 400.500 5.148 0 40 HKAB Cc1cc(C)c(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)c(C)c1 2594331 JNJNBERUGGBHDF-UHFFFAOYSA-N 403.365 6.568 0 40 HKAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1ccc(Cl)cc1)CCCC3 3234070 YUMJOILVBGXCGU-UHFFFAOYSA-N 424.968 7.027 0 40 HKAB O=C(CSc1cccc2cccc(Cl)c12)Nc1ccccc1Cc1ccccc1 3329465 QHNNUKBUKHCWOG-UHFFFAOYSA-N 417.961 6.815 0 40 HKAB CCC(=O)N(CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)[C@@H](C)c1ccccc1 4027877 AKAMYEOOALBFQV-TUSQITKMSA-N 407.598 6.365 0 40 HKAB Cc1cccc(C)c1NC(=O)NCc1c(Cl)cccc1-n1cc(C)c2ccccc21 4054826 GHWKPZFWKAWHAM-UHFFFAOYSA-N 417.940 6.531 0 40 HKAB Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)CC2 4095861 QUEDXNHFTDJVIY-PFPZSTESSA-N 416.690 8.532 0 40 HKAB endogenous,world Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 4144652 UFHMUXLMBQGSHP-UHFFFAOYSA-N 405.954 6.112 0 40 HKAB CCN(Cc1ccccc1)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 4553805 CJUJYPJWYXLDCE-UHFFFAOYSA-N 400.566 5.965 0 40 HKAB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)Nc1ccc(NC(C)=O)cc1 4849474 AAAHHCAZHSEHRA-UHFFFAOYSA-N 407.539 5.103 0 40 HKAB COc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(C)cc23)cc1OC 4970305 PSBQZZHLBQVFDW-UHFFFAOYSA-N 423.516 6.183 0 40 HKAB Clc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)[C@H](c3ccccc3)C2)cc1 5008369 HHCMPBDEAREBAQ-NRFANRHFSA-N 401.724 7.003 0 40 HKAB CCOc1cc(/C=C/c2ccc3cccc(OC(=O)CC)c3n2)ccc1OC(=O)CC 5013507 ZPELOCPIPNNYPK-JLHYYAGUSA-N 419.477 5.435 0 40 HKAB O[C@](C1CCCCC1)(C1CCC2(CCCCC2)CC1)[C@H]1CCC[C@H]2CCCC[C@H]12 5086216 JABAJANPPUTYNB-HROVAUBSSA-N 400.691 8.045 0 40 HKAB O=C(CCc1ccccc1)N(Cc1cccnc1)c1nc2c(Cl)cccc2s1 5142217 HNCWBSLVTSGDPT-UHFFFAOYSA-N 407.926 5.511 0 40 HKAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1cc(F)ccc1F 6376556 KPOUJEVYBXSNFL-IBGZPJMESA-N 414.839 5.118 0 40 HKAB O=Cc1ccc(OC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1 6526766 NAVVJTZMYPHEMO-UHFFFAOYSA-N 411.251 5.060 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccco1)Cc1ccccc1Cl 6810634 GBRMMIABTPKGRG-UHFFFAOYSA-N 404.293 5.503 0 40 HKAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)cc1OC 6847523 KLLUXTMIHCIHJO-CDCUFJRJSA-N 407.554 5.085 0 40 HKAB biogenic CC(C)(C)CC(C)(C)c1ccc(Oc2ncnc3sc4c(c23)CCCCC4)cc1 6906099 KFAVNNHSEGFOJR-UHFFFAOYSA-N 408.611 7.466 0 40 HKAB O=C1C[C@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c2cccc3cccc1c23 7777875 VAFZPZJQGXWLMZ-DEOSSOPVSA-N 418.471 6.550 0 40 HKAB Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O 7928301 GYJZZFCCMZCUHS-LJQANCHMSA-N 400.478 5.087 0 40 HKAB Fc1cccc(-c2nnn3c2nc(NCc2ccccc2)c2cc(Cl)ccc23)c1 8024088 ZEFVQHYUCIANGJ-UHFFFAOYSA-N 403.848 5.349 0 40 HKAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CC(c1ccccc1)c1ccccc1 8314298 SKPSSFXYGRVGME-UHFFFAOYSA-N 409.533 5.112 0 40 HKAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 8327731 PKSPDAMNHVDESH-HSZRJFAPSA-N 410.473 5.246 0 40 HKAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1C 8336422 LSJXBMAAWDNONA-UHFFFAOYSA-N 403.887 5.250 0 40 HKAB O=C(CNc1ccccc1N1CCCC1=O)Nc1ccccc1Sc1ccccc1 8342086 FYQYBHBILHRUHV-UHFFFAOYSA-N 417.534 5.015 0 40 HKAB COc1cc(CNCc2ccccc2)ccc1OC[C@@H](O)c1cc(C)c(C)cc1C 8491107 FEDMXGHBZMNGLE-XMMPIXPASA-N 405.538 5.023 0 40 HKAB CCc1sc(-c2nnc(CN3CCC(c4nc5ccccc5s4)CC3)o2)cc1C 9448892 KRBJCZNUAQAKPJ-UHFFFAOYSA-N 424.595 5.658 0 40 HKAB O=C(Nc1ccnn1Cc1cccs1)c1ccccc1SCc1ccccc1F 9467808 CBGKZCNLRGPAQV-UHFFFAOYSA-N 423.538 5.677 0 40 HKAB O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(OCc2ccccc2)cc1 9600666 CDASLBADRAHHRV-UHFFFAOYSA-N 421.456 5.721 0 40 HKAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2s1 9707696 XVAIRZQCSBKGAQ-UHFFFAOYSA-N 422.531 5.009 0 40 HKAB C[C@H]1CCc2sc(-c3nnc(SCc4nc(-c5ccsc5)no4)o3)cc2C1 9727986 GJZSUNVCYLYOKK-JTQLQIEISA-N 416.553 5.327 0 40 HKAB O=C1Nc2ccccc2/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 9763535 HHOUOUOXGUQBDA-MFOYZWKCSA-N 414.263 6.204 0 40 HKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1sc2cc(F)ccc2c1Cl 9984314 QWONUBDRVSEINJ-UHFFFAOYSA-N 419.865 5.389 0 40 HKAB Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(C(F)(F)F)cn2)c(Br)c1 10535952 NPOULKATCCEILV-SNVBAGLBSA-N 419.266 5.291 0 40 HKAB CSc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3C(C)C)n2)cc1 12415745 IUTDPNXJAMFFNC-UHFFFAOYSA-N 424.551 5.042 0 40 HKAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl)O[C@H](C)C2 12562870 IOBVZOROVSCBLF-NEPJUHHUSA-N 409.313 5.155 0 40 HKAB Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3ccc(Cl)s3)s2)cc1 12934571 HXKVHNIVBWNVAB-JYRVWZFOSA-N 410.351 5.228 0 40 HKAB COc1ccc(OC)c(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)c1 16842626 WXLHBNLJUSQXRN-UHFFFAOYSA-N 404.491 5.475 0 40 HKAB COc1ccc2oc(-c3cccc(NC(=O)CC45CC6CC(CC(C6)C4)C5)c3)nc2c1 17090714 WHABNGOFCCMLKF-UHFFFAOYSA-N 416.521 6.048 0 40 HKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)[C@H](C)c3ccccc3)c2)cc1 19691339 BWPVRGDUYUQBKB-KBMIEXCESA-N 400.522 5.533 0 40 HKAB COc1ccc(NC(=O)c2sc3cc(C(C)(C)C)ccc3c2Cl)c(OC)c1 19861515 HJVJQPFNXISHAM-UHFFFAOYSA-N 403.931 6.122 0 40 HKAB Cc1cc(C(=O)O)ccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 20150891 FUBXQMOUJKMWKN-WEVVVXLNSA-N 416.260 5.912 0 40 HKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1 20610574 GAROZZDPMYIMIW-UHFFFAOYSA-N 404.901 5.379 0 40 HKAB Cc1cc(-c2cc(C(=O)N3CCC[C@H]3c3ccccc3)c3c(C)noc3n2)c(C)o1 25512152 PUYILJCHZMUSGL-NRFANRHFSA-N 401.466 5.385 0 40 HKAB CCOc1ccc(C2=Nn3c(COc4cc(C)ccc4C(C)C)nnc3SC2)cc1 27028827 NQHBIAZGUUASHP-UHFFFAOYSA-N 422.554 5.046 0 40 HKAB COc1cccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1 32114879 AFHPHEUPJDLVOD-UHFFFAOYSA-N 414.795 5.687 0 40 HKAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1ccccc1Cl 32900323 DJXACFMTSXFYLW-QGZVFWFLSA-N 406.913 5.354 0 40 HKAB COc1ccc(-c2nc(CSc3nnc(C4CCCCC4)o3)cs2)cc1OC 32945406 DFFKBUMRUHMDNP-UHFFFAOYSA-N 417.556 5.550 0 40 HKAB O=C(CSc1cccc2ccccc12)Nc1ccc(Br)c2ccccc12 33739472 NCFVUFQCKNIRHC-UHFFFAOYSA-N 422.347 6.486 0 40 HKAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3C(C)C)c12 36613560 OWRKMKRLXRZYBE-UHFFFAOYSA-N 424.548 6.041 0 40 HKAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)CC1 38834434 QSTYUSSWIWPGCK-UHFFFAOYSA-N 400.522 5.963 0 40 HKAB CSc1ccc(CN(C)C(=O)Nc2ccc(NC(C)=O)cc2C(F)(F)F)cc1 40104397 IIHPABZZWYZXNO-UHFFFAOYSA-N 411.449 5.050 0 40 HKAB COc1ccc(CN2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 40485810 GGHVOOLGZDGBBJ-JOCHJYFZSA-N 407.416 5.026 0 40 HKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 44873274 WFMWFWHDFWCDKY-KRWDZBQOSA-N 402.991 5.123 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCC(C)C 44900770 YEDSKANTUWYNPP-LJQANCHMSA-N 404.963 5.235 0 40 HKAB COc1ccc(NC(=O)[C@H](C)SC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 48373927 WCDQFWPGDULMOC-HNNXBMFYSA-N 413.489 5.823 0 40 HKAB Cc1ccc(Cl)cc1-c1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)o1 51125227 MNIWMRCWECXAQA-ODLFYWEKSA-N 410.882 6.003 0 40 HKAB O=c1[nH]c(CN2CCC[C@@H]2c2cccs2)nc2scc(-c3ccc(F)cc3)c12 58160095 SQBBNPAFAQKSHU-MRXNPFEDSA-N 411.527 5.189 0 40 HKAB CCc1ccc2nc(C(=O)OC)cc(Nc3ccc(OCc4ccccc4)cc3)c2c1 65033772 YKDNPNHYRUWIBA-UHFFFAOYSA-N 412.489 5.906 0 40 HKAB COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)cc1 67259573 NYTLKMKMLSXPIX-UHFFFAOYSA-N 422.937 5.399 0 40 HKAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)c(Cl)c2)n1 67296787 YRKFNOQGSDJHQD-ROMGYVFFSA-N 407.832 5.413 0 40 HKAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1)C1CC1 72215319 SXHPTWQGGYQWQT-QGZVFWFLSA-N 403.523 5.058 0 40 HKAB Cc1nc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc2[nH]1 72356470 LNERHIHKPYUZQL-LJQANCHMSA-N 414.484 5.092 0 40 HKAB CC(=O)Nc1ccc(CN2CCC[C@@H]2c2cccc(Cc3ccc(Cl)cc3)n2)cc1 72358118 JLSGLKQCWUPXDC-RUZDIDTESA-N 419.956 5.621 0 40 HKAB COc1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C(=O)/C2=C/Nc1ccc(C)cc1 102945705 CWMDBIPTJBCCKD-HYARGMPZSA-N 418.880 5.297 0 40 HKAB C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1nccs1 141985178 MOJMEFIHXZGVMC-CQSZACIVSA-N 406.536 5.320 0 40 HKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 222564510 PIXKHMYUWUHNPK-LPTQZCDUSA-N 423.626 5.972 0 40 HKAB O=C(NCc1cccc2ccccc12)c1ccc(CSc2ccc(Cl)cc2)cc1 222827106 ZZIAKOWRGDSCMC-UHFFFAOYSA-N 417.961 6.716 0 40 HKAB Cc1cccc(N2CCN(C(=O)c3cc4cc5ccccc5nc4s3)CC2)c1C 223134452 ZAFVGZQRFUEMEK-UHFFFAOYSA-N 401.535 5.029 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1C 224263665 YBQGUVZAPJDATD-DNQXCXABSA-N 416.594 5.792 0 40 HKAB CC(C)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1 224959809 IUOQXJSABZZZAT-UHFFFAOYSA-N 416.908 7.038 0 40 HKAB COc1ccc(C(=O)Nc2ccc(-c3csc(-c4ccncc4)n3)cc2)cc1OC 225336427 BOLPRMQTVSLHTR-UHFFFAOYSA-N 417.490 5.142 0 40 HKAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225463780 VXSDYGPAMDHBHY-QGZVFWFLSA-N 408.592 6.035 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 225829089 IDMPIKARQOZASC-XZOQPEGZSA-N 407.554 5.450 0 40 HKAB CCc1cc(Br)cc(CC)c1NC(=O)c1cccc(C(F)(F)F)c1 226096742 APDYAMAZYAXMKQ-UHFFFAOYSA-N 400.238 5.845 0 40 HKAB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 231432760 LZMSFENOCCKTTA-XPNTWCBSSA-N 419.650 5.420 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2C(=O)c2n[nH]c3c2CCCC3)n1 257264242 LTOASVONFBHPLH-HSZRJFAPSA-N 418.516 5.165 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1F 408558325 SZFGHBNBNMZHLI-UHFFFAOYSA-N 408.473 5.162 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2cccc(C)c2C)c1 408697693 LCHNCUHNROLCRE-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB COc1ccc(NC(=O)c2sc3c(Cl)c(OC)ccc3c2Cl)cc1Cl 408973545 UEARCRRGGRBNES-UHFFFAOYSA-N 416.713 6.131 0 40 HKAB S=C(c1ccc(OCCOc2ccc(Cl)cc2)cc1)N1CCc2ccccc2C1 409196022 SHTUBYMZYGYBFZ-UHFFFAOYSA-N 423.965 5.532 0 40 HKAB C[C@@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1nc2ccccc2n1C 605395287 AUARIKYKZOWYDI-OAHLLOKOSA-N 423.438 5.750 0 40 HKAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 2037845617 FCLGSFZEDMWNFZ-MRXNPFEDSA-N 421.447 5.045 0 40 HKAB CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2Cl)c2ccccc2)C[C@@H]1C 854347 YGKFAOJJDSDQMV-BXKMTCNYSA-N 418.924 5.873 0 40 HKAB Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)c3cccs3)c(Cl)nc2c1C 1329072 GBLRMYAYZBGCNP-GOSISDBHSA-N 414.958 5.388 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCCC3)cc2c1 1353050 UTRGKZAQKCIDJD-UHFFFAOYSA-N 423.944 5.857 0 40 HKAB Cc1ccc2oc(=O)c(-c3ccccc3)c(-c3cnc4c(c3)COc3ccccc3-4)c2c1 2051027 OZQLWSBLTAWMSE-UHFFFAOYSA-N 417.464 6.390 0 40 HKAB COc1ccc(/C=C/c2ccccc2-c2ccccc2/C=C/c2ccc(OC)cc2)cc1 2077512 CNSQRYYNSMPLGU-JYFOCSDGSA-N 418.536 7.712 0 40 HKAB CC(C)=CCC/C(C)=C/COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 2134596 STKDKIMOAYXKMF-HMMYKYKNSA-N 402.534 6.764 0 40 HKAB COC(=O)c1cccc(Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c1 2285291 BUERKVCJQYXQGB-UHFFFAOYSA-N 407.779 5.346 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cc(C)cc(C)c2C)cc1 2352995 MULTULGTDMJVBA-UHFFFAOYSA-N 414.505 5.076 0 40 HKAB CC(C)c1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccc(Cl)cc4)nc3C2)cc1 2428398 BSUJEONOJKHZAW-SFHVURJKSA-N 419.912 5.418 0 40 HKAB O=S(=O)(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc2ccccc2c1 2643515 GUEFCLGCKQBFTR-UHFFFAOYSA-N 409.894 6.086 0 40 HKAB COc1cnc(SCc2ccc(Cl)cc2)nc1Sc1ccccc1Cl 3128589 UJVRMIPABGSSCD-UHFFFAOYSA-N 409.363 6.236 0 40 HKAB COc1ccc(Cc2cnc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)s2)cc1 3179268 SUIMQEIKTRDUTN-WEVVVXLNSA-N 419.333 5.701 0 40 HKAB O=C(c1c(-c2ccccc2)c2c3n(c(-c4ccccc4)cn13)CCCC2)C(F)(F)F 3183556 OOYRLFAIGUUZAA-UHFFFAOYSA-N 408.423 6.156 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=S)NC2CCCCC2)c1 3227978 VDQJMULRPNSOOK-UHFFFAOYSA-N 421.488 5.577 0 40 HKAB O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2Cl)N1c1ccc(Cl)cc1 3669059 XAKDOBAXAKHYBV-IBGZPJMESA-N 403.696 6.418 0 40 HKAB CCOc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)ccc1OC 4361244 TUNILUVCMUTWAA-MBSDFSHPSA-N 406.507 5.398 0 40 HKAB CC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OCCCN5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 4727021 NPTNCOUTQMAIFQ-JEXOSSJKSA-N 413.690 6.847 0 40 HKAB Cc1ccc(C)c(Nc2c(-c3cc(Br)ccc3O)nc3ncccn23)c1 4734235 KDDWQKNSWDTHSF-UHFFFAOYSA-N 409.287 5.225 0 40 HKAB CCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 4816688 PZZZVMJBBJHILK-ZWKOTPCHSA-N 401.297 5.062 0 40 HKAB COC(=O)c1ccc(C2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1 5104369 ILRRJHOTTLHJBG-UHFFFAOYSA-N 400.518 6.306 0 40 HKAB C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](OC(=O)CCc3ccccc3)CC[C@H]12 5274051 HHSXYDOROIURIP-DDMGVCGZSA-N 420.593 6.063 0 40 HKAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C(c1ccccc1)c1ccccc1 5450891 ACPPOFHVDPILCX-UHFFFAOYSA-N 417.896 5.181 0 40 HKAB CCCCc1ccc(NC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)cc1 5978607 HVEQWJSDRARXRJ-UHFFFAOYSA-N 403.507 5.018 0 40 HKAB COc1ccc(OCCSc2nc3ccccc3n2CCc2ccccc2)cc1 6294857 GYQIHCYSMGHLHU-UHFFFAOYSA-N 404.535 5.459 0 40 HKAB CCCCOc1cccc(C(=O)Nc2nc(-c3ccc(C(=O)OC)cc3)cs2)c1 6323528 PGOMXGZAGUWJPL-UHFFFAOYSA-N 410.495 5.028 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1nc2c(Cl)c(Cl)ccc2s1 6471760 KRYIDKWCRVMSFH-UHFFFAOYSA-N 401.702 5.582 0 40 HKAB Cc1ccc(N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)c(C)c1 6794565 IWNQTWHVEFOWHW-NRFANRHFSA-N 407.876 6.347 0 40 HKAB O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccc(F)cc1 6839357 VFKPKKSTZWSEAR-UHFFFAOYSA-N 409.511 5.169 0 40 HKAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)c1ccc2c(c1)CCCC2 7193356 SPPMJVCMVMLYMT-UHFFFAOYSA-N 414.914 5.156 0 40 HKAB Cc1ccccc1CSC1=NCCN1C(=O)C1c2ccccc2Oc2ccccc21 7346166 VZQANICHPGFZED-UHFFFAOYSA-N 414.530 5.364 0 40 HKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)cc1 7881810 MKDRHIHCONCDFS-KRWDZBQOSA-N 420.896 5.432 0 40 HKAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccccc1-c1ccccc1 7903383 IXCKVWDLRMEEOQ-HNNXBMFYSA-N 404.539 5.277 0 40 HKAB CCOc1cc(Br)c(CC(=O)Nc2ccccc2Cl)cc1OCC 7908696 YCGRNFZHLKIVEM-UHFFFAOYSA-N 412.711 5.081 0 40 HKAB C[C@H](NC(=O)CSC(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 7982512 BTEKZBHKSVJJOF-KRWDZBQOSA-N 405.519 5.115 0 40 HKAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCC[C@H]2c2cccs2)c1 8325469 WRASFAULQSCTPY-NRFANRHFSA-N 419.550 5.084 0 40 HKAB O=C(Cn1nc(CNc2ccc(F)cc2)n(-c2ccccc2)c1=S)c1ccccc1 8435935 VRMRNPNLYFOJNN-UHFFFAOYSA-N 418.497 5.037 0 40 HKAB COc1cccc(CNC2CCCCCC2)c1OCc1ccc(Cl)cc1Cl 8495425 XTCZPJQYQUBJQE-UHFFFAOYSA-N 408.369 6.393 0 40 HKAB COc1ccc(COc2ccc(-c3n[nH]cc3Oc3ccccc3OC)c(O)c2)cc1 8739753 SFNMAPXTTRPLRH-UHFFFAOYSA-N 418.449 5.171 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2cc(Cl)ccn2)c1 8748219 PFFSRNRUGAJKBA-UHFFFAOYSA-N 419.790 5.258 0 40 HKAB Fc1ccc2sc(CSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)nc2c1 8781963 SQYBNEAPKXRQTO-UHFFFAOYSA-N 417.534 6.785 0 40 HKAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(Br)cc1 10120003 YCYBWKTWBPCFHK-UHFFFAOYSA-N 407.267 5.433 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C)cc1 10357213 APHDUATYYPBOHF-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CC(C)n1ncc2c(C(=O)Nc3ccc(F)cc3Cl)cc(-c3cccs3)nc21 10511079 CRPUTSKIEUAZSN-UHFFFAOYSA-N 414.893 5.786 0 40 HKAB Cc1cc(CNC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)ccc1F 10613029 FHUJGLFZNPBGSW-UHFFFAOYSA-N 407.272 5.345 0 40 HKAB CCCCc1ccc(NC(=O)CCc2csc(NC(=O)c3ccccc3)n2)cc1 11835370 LPIICVNNQAYLGK-UHFFFAOYSA-N 407.539 5.309 0 40 HKAB CCCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)c1 12062905 XZUZSYZHCIILPK-QFIPXVFZSA-N 405.494 5.236 0 40 HKAB CCOc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccc4ccccc34)=NN21 12192344 VGVSVSLLPGUTSD-LEAFIULHSA-N 420.512 6.481 0 40 HKAB CCOc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3cccs3)C[C@@H]21 12196425 RXCPGOPMUMFWIZ-PGRDOPGGSA-N 410.926 6.043 0 40 HKAB Cn1c(SCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)nnc1-c1ccco1 12634992 RABHGLVPYJMQHL-OAQYLSRUSA-N 423.469 5.114 0 40 HKAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccccc2Cc2ccccc2)cc1 12787699 JDRMNXKPPTVGBE-LJQANCHMSA-N 418.562 5.285 0 40 HKAB COc1ccccc1CNC(=O)CSC(c1ccc(F)cc1)c1ccc(F)cc1 12790828 PSGYVYXHPWERDT-UHFFFAOYSA-N 413.489 5.112 0 40 HKAB Cc1ccc(CSc2nnc(NC(=O)c3ccccc3Br)s2)cc1 13940884 NDORPBMVTRMLKE-UHFFFAOYSA-N 420.357 5.154 0 40 HKAB C/C(C=NNC(=O)CCC(=O)Nc1cccc(Cl)c1)=C/c1ccc(C(C)C)cc1 15931108 JAKATPLCBOMBCG-GWBGUFDXSA-N 411.933 5.388 0 40 HKAB COc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)(C)C)ccc3o2)cc1Cl 17091258 FTUWQTFZUDQODU-UHFFFAOYSA-N 417.918 5.016 0 40 HKAB CCc1ccc2oc(-c3ccc(OC)c(OC)c3)c/c(=N\[C@H](CC(C)C)C(=O)O)c2c1 19793969 GPDBZEHGXHPIDN-KHKYUJEISA-N 423.509 5.079 0 40 HKAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2ccc(F)c(Cl)c2)o1 20140417 CQTZBDSMMMIIGQ-UHFFFAOYSA-N 411.816 5.744 0 40 HKAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1C 20196882 HEYUJTYVTFZRKZ-UHFFFAOYSA-N 421.444 5.027 0 40 HKAB O=C(CSc1nc(-c2ccccc2)n[nH]1)N1c2ccccc2Sc2ccccc21 20971035 WHQLPRISCXLXRL-UHFFFAOYSA-N 416.531 5.393 0 40 HKAB Oc1cc(O)cc(CCCCC/C=C\CCCCCCCc2cc(O)cc(O)c2)c1 31167312 INRCFVYVWPWZJS-IWQZZHSRSA-N 412.570 6.751 0 40 HKAB biogenic,in-vitro CCCCN1C(=O)COc2ccc(NC(=O)c3oc4cc(C)c(C)cc4c3C)cc21 32593470 HGPQBEFUVKHEFT-UHFFFAOYSA-N 406.482 5.136 0 40 HKAB O=C(COc1cccc(-c2noc(-c3ccccc3)n2)c1)Nc1cccc(Cl)c1 33327231 QOTNHEVRCHBUJM-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 34187470 FNKOKHZCQSJJOQ-LAPMKBIWSA-N 424.713 8.089 0 40 HKAB biogenic,in-vitro O=C(Nc1ccccc1-c1ccccc1)C1CCN(c2nc3ccccc3s2)CC1 35315112 SJJUQVMPNRXXET-UHFFFAOYSA-N 413.546 5.818 0 40 HKAB CC1(C)CC[C@@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@]43C)[C@H]2C1 39942004 LIIFBMGUDSHTOU-YAFUZKDASA-N 424.713 8.377 0 40 HKAB Cc1nc(CSCCC(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cs1 40069748 PFDNKEDZBKMCKG-QGZVFWFLSA-N 417.625 5.438 0 40 HKAB COc1ccc(CN2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2cccc(F)c2)cc1 40486012 BYQIVVQUBGCKCY-QHCPKHFHSA-N 403.453 5.196 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)c1cccc(S(=O)(=O)Nc2ccccc2)c1 47156162 UDVGFEPLSUPINP-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)N1CCC(Oc2nc3ccccc3s2)CC1 49442896 ZWSIBHHCYHWPLT-UHFFFAOYSA-N 421.444 5.390 0 40 HKAB Cc1nc(C2CC2)nc2sc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)c(N)c12 58173209 LBWPFIXVCSMOBY-UHFFFAOYSA-N 417.416 5.195 0 40 HKAB COc1ccc(Nc2ncnc3scc(-c4ccc(C)c(C)c4)c23)cc1NC(C)=O 65553003 GTLFVPAZZIXFLC-UHFFFAOYSA-N 418.522 5.686 0 40 HKAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 72214704 GWWJUKROMPTCCU-QFIPXVFZSA-N 409.574 5.960 0 40 HKAB CC(C)CN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 72215885 NSKMXUWLQCRZEE-QFIPXVFZSA-N 409.574 6.338 0 40 HKAB COc1ccc(Cc2cccc(C3CCN(C(=O)CCc4ccccc4)CC3)n2)cc1 72349050 YXSNHXKCZZPSFM-UHFFFAOYSA-N 414.549 5.020 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)N[C@@H]1CCSc2c(F)cccc21 84667868 LXJRKJAKZOCKCU-IUODEOHRSA-N 401.532 5.375 0 40 HKAB CC1=C(C(=S)Nc2ccc(C)cc2)[C@H](c2cccc3ccccc23)NC(=S)N1 100857994 FBABBUGYXRYIAE-NRFANRHFSA-N 403.576 5.381 0 40 HKAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc(Cl)c1OC 106682911 ZMQAQLLCMOPULK-SXGWCWSVSA-N 424.305 5.247 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1cccc(OCc2ccccc2Cl)c1 216571780 OCQGFCRHSQJDCP-UHFFFAOYSA-N 416.702 5.934 0 40 HKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(Cl)ccc2C)o1 222896379 SQFVYQLVDFDXPX-SFTDATJTSA-N 411.958 5.686 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 223108375 IFWZHRBISSBGNV-UHFFFAOYSA-N 421.541 5.161 0 40 HKAB CC(C)C[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccccc1 223243875 UYLTXEUHSZOSIY-IWQUUTMOSA-N 418.562 5.423 0 40 HKAB COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccccc1C(C)(C)C 224176326 ILEOUDUGYVDLLY-UHFFFAOYSA-N 423.597 6.414 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3C)c2)cc1 224278970 FIPWFUMPBOPCHG-UHFFFAOYSA-N 419.521 5.850 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1 224368615 BQBXTLAEOLVIQO-KRWDZBQOSA-N 409.913 5.809 0 40 HKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 224411308 JFWYAPYUQBPMIV-DHIUTWEWSA-N 415.493 5.658 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1cc(C)cc(C)c1 224529974 OUHZOHWXSCNGDZ-FQEVSTJZSA-N 403.522 5.772 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccccc1C(C)C 224564117 OHCPLSVUDAAYOP-UHFFFAOYSA-N 417.549 6.657 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)NCc1ccccc1CN1CCCCC1 224853636 ODVFZNNXQYKJST-UHFFFAOYSA-N 405.369 5.228 0 40 HKAB COc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)cc1 225363887 GNBVUEVJVSMQGG-UHFFFAOYSA-N 401.384 5.222 0 40 HKAB CCO[C@]1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCC[C@@H](C)C1 225716211 BUHRMUPLMATFAI-PXDATVDWSA-N 416.606 5.111 0 40 HKAB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)c2ccccc12 225824155 XLWRNAPNDCHNLC-UHFFFAOYSA-N 413.602 6.825 0 40 HKAB CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2Cl)c(Br)c1 226334261 AAXFPZSHTITHIC-XBXARRHUSA-N 413.670 5.397 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H](C(=O)O)[C@@H]([C@@]3(C)CCCCC3=O)CC[C@]12C 253390087 CGYXDTVDPDQBGI-WJZQNJPFSA-N 404.635 6.742 0 40 HKAB biogenic,in-vitro O=C(O)c1ccc([C@H]2CCCN2Cc2cccc(Cl)c2)nc1Cc1ccccc1 257219800 DIFLAZCKRQTNRR-HSZRJFAPSA-N 406.913 5.361 0 40 HKAB COc1cc(C)c(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)cc1C(C)C 408798502 FRERBZIYBOVUKO-UHFFFAOYSA-N 415.966 5.852 0 40 HKAB Cc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1C 409026135 HESDVRANAPLXSX-RUZDIDTESA-N 416.546 5.330 0 40 HKAB Cc1cccc(OCc2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)c1 409181654 FQXXWTDZTRFNKE-UHFFFAOYSA-N 400.503 5.950 0 40 HKAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4C5CC6CC(C5)CC4C6)[C@H]3C2=O)cc1Cl 637110 YOOCZIRJOZWOJF-LLYNYRBSSA-N 419.952 5.323 0 40 HKAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4c5ccccc5C[C@H]4C)c3n2)cc1 815342 XKBLXGGMIBMUFN-OAHLLOKOSA-N 418.447 5.234 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1Cl 849442 UVUNSJDALCQYFK-UHFFFAOYSA-N 413.260 6.063 0 40 HKAB O=C1CN=C(c2ccc(Cl)cc2)c2c(sc3c2CCC3)N1Cc1ccccc1 930365 QQAFVUKAKIWTOZ-UHFFFAOYSA-N 406.938 5.274 0 40 HKAB CCC(=O)Nc1ccc2nc(SCC(=O)Nc3c(C)cc(C)cc3C)sc2c1 1064524 HSWZWBFKGNHVPH-UHFFFAOYSA-N 413.568 5.301 0 40 HKAB O=C(Nc1ccccc1F)N1CCC(n2cnc3cc(C(F)(F)F)ccc32)CC1 1380373 AMABKTVOZUFKPA-UHFFFAOYSA-N 406.383 5.063 0 40 HKAB CC(C)c1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 1408542 FMWXVZHFRORXRX-UHFFFAOYSA-N 416.506 5.140 0 40 HKAB O=C(c1ccccc1)c1c(-c2ccccc2)c(C(=O)c2ccccc2)n2ccccc12 1567636 JTJDGBPYUADWTQ-UHFFFAOYSA-N 401.465 6.068 0 40 HKAB CC(C)(C)SC(=S)SCC(=O)c1cc2cc(Br)ccc2o1 1579658 GLRXPYXAYKFWDP-UHFFFAOYSA-N 403.388 5.928 0 40 HKAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cccc4ccccc34)c2c1 1775628 RVLCMPJOYLBRRG-UHFFFAOYSA-N 414.461 5.485 0 40 HKAB CC(C)c1ccccc1NC(=O)CCSCCC(=O)Nc1ccccc1C(C)C 2088103 RJHYHJRGFRSVBC-UHFFFAOYSA-N 412.599 6.024 0 40 HKAB COc1cccc(-c2nc(Oc3cccc(Br)c3)c3ccccc3n2)c1O 2402489 SPZNADNUMNALOL-UHFFFAOYSA-N 423.266 5.566 0 40 HKAB Cc1ccc(-n2c(S[C@H](C)c3ccccc3Cl)nnc2-c2ccccc2)cc1C 2617504 QCDJIHXLPJKZOG-GOSISDBHSA-N 419.981 7.058 0 40 HKAB Clc1ccccc1-c1nc(Oc2ccccc2)nc2ccc(Br)cc12 2690369 XZFOUYQWLBNAEP-UHFFFAOYSA-N 411.686 6.505 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3C)oc2N2CCCCCC2)cc1 2696701 SCXBKBORASGJTM-UHFFFAOYSA-N 410.539 5.172 0 40 HKAB O=C(Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2)c1cccnc1 3100240 UZAMCDIGLCAWFF-UHFFFAOYSA-N 411.914 5.180 0 40 HKAB Cc1ccc(-c2nc(NC(=O)c3ccc(Cl)nc3)sc2-c2ccc(C)cc2)cc1 3360169 PMRSOGZWNUJFHH-UHFFFAOYSA-N 419.937 6.395 0 40 HKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1C 4033400 NWKXKFJMMKMGJC-FQEVSTJZSA-N 413.496 5.361 0 40 HKAB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1C(C)(C)C 4546815 KQUQYTMLOJYTNM-LJQANCHMSA-N 420.340 5.489 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CN1c1ccccc1F 5235912 XGUJBBIUYSQHJV-LJQANCHMSA-N 405.517 5.666 0 40 HKAB CCCN1CCC2(CC1)Oc1c(C)cccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 5297940 IQOAPWMPEWUSKE-QFIPXVFZSA-N 409.961 5.394 0 40 HKAB COc1ccc(CNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1Cl 5697045 SRAHLPJELSUELX-UHFFFAOYSA-N 409.244 5.035 0 40 HKAB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 6051514 BXWVTQNKYFCGLP-OAQYLSRUSA-N 405.325 5.258 0 40 HKAB S=C(c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)N1CCCCC1 6225534 BDLJLSKGYXHJJR-UHFFFAOYSA-N 414.785 6.387 0 40 HKAB CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 6595048 OKMXDDLQCOCAES-UHFFFAOYSA-N 417.987 6.010 0 40 HKAB CCOc1ccc(CN(C)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC 6639749 UPSVXKSMDHJMEU-UHFFFAOYSA-N 413.602 6.027 0 40 HKAB COc1cc(/C=C2/SC(=O)N(Cc3ccc4ccccc4c3)C2=O)cc(OC)c1 6641181 XATAOOHAYHHFQY-CIAFOILYSA-N 405.475 5.094 0 40 HKAB CCN(CC)CCCNCC[C@]1(c2cccc(C(F)(F)F)c2)CCOC(C)(C)C1 6662235 YVHNXIFWXCEDTA-QFIPXVFZSA-N 414.556 5.244 0 40 HKAB COc1ccccc1C(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl 6762525 UKCHDHHQIJRVIM-UHFFFAOYSA-N 413.260 6.063 0 40 HKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc(-c2nc3ccccc3s2)c1 6943090 CETMEMOCWSZBLX-UHFFFAOYSA-N 402.563 6.508 0 40 HKAB CC1(C)Cc2cccc(OCc3ccc(C(=O)NCc4ccc(F)cc4)cc3)c2O1 7454072 UYYBWHWZMWULBY-UHFFFAOYSA-N 405.469 5.048 0 40 HKAB Cc1ccc(CN(C)C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)c(C)c1 7743988 AXDDLONROIDAEI-UHFFFAOYSA-N 419.472 5.016 0 40 HKAB CC(C)[C@@H](NC(=O)COc1ccc(Nc2ccccc2)cc1)c1nc2ccccc2[nH]1 8134833 MMHQNYOZBHBIIC-XMMPIXPASA-N 414.509 5.199 0 40 HKAB O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2ccc(Cl)cc12 10272147 NQICXTFYYCAODI-UHFFFAOYSA-N 418.663 6.820 0 40 HKAB C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 12550495 QEZKYQPUTRKAFB-GFCCVEGCSA-N 420.412 5.013 0 40 HKAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 12567205 GGODXWLFYWLBJV-VWLOTQADSA-N 401.506 5.103 0 40 HKAB Clc1ccc(Oc2cccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c2)cc1 12632492 UQFHXNCLGOUBKU-UHFFFAOYSA-N 422.915 7.856 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN[C@@H](C)c4ccc(F)cc4)[nH]c(=O)c23)cc1 12782639 GLEACXFUSNJHJK-AWEZNQCLSA-N 407.514 5.258 0 40 HKAB CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 13847236 QZTPWQLYOIGVQU-QGZVFWFLSA-N 404.535 5.542 0 40 HKAB Cc1ccc(C(=O)Oc2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2Cl)cc1 13881256 CUQFVSKVDODSHI-XSFVSMFZSA-N 417.848 5.212 0 40 HKAB COc1ccc(Nc2cc(-c3cccc(C)c3)nc(SCC(C)C)n2)cc1OC 15859161 NGWMJBSXIIWHTP-UHFFFAOYSA-N 409.555 5.961 0 40 HKAB O=C(OCc1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc2c3c(cccc13)CC2 16431661 DZZWPOGIJSVLJV-UHFFFAOYSA-N 423.295 6.862 0 40 HKAB O=C1S/C(=C\c2cccc(OCc3ccccc3Cl)c2)C(=O)N1c1ccccc1 16488257 RMJIOTXOVSSFOF-STZFKDTASA-N 421.905 6.160 0 40 HKAB C[C@H]1CCCCN1c1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 17087486 MUPWRQHYBCJUAF-FQEVSTJZSA-N 406.570 6.131 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2ccc(C(F)(F)F)cc2)CC1 17089718 XFUNCABWDXLHHV-UHFFFAOYSA-N 413.896 5.186 0 40 HKAB Cc1ccc(C)c(N/C=C2/C(=O)N(c3cccc(Cl)c3)C(=O)c3ccccc32)c1 18167420 BPMPBPVUKGWQHD-KGENOOAVSA-N 402.881 5.597 0 40 HKAB c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCCN3Cc3cccnc3)n2)cc1 19373052 WLNJUTOTEBFGES-XMMPIXPASA-N 422.536 5.404 0 40 HKAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3nnc(C4CCCCC4)s3)c2)n1 19718341 LGPZFOKMJCSRKC-UHFFFAOYSA-N 415.950 5.294 0 40 HKAB Nc1c(Cl)cc([C@@H](O)CNC2c3ccccc3CCc3ccccc32)cc1Cl 19801782 KNHAYJPWZAIJQG-NRFANRHFSA-N 413.348 5.087 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)CCC3CCCC3)c2)cc1 19881469 ORVRFYAUUMDPPO-UHFFFAOYSA-N 414.933 5.900 0 40 HKAB O=S(=O)(NCCSc1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 20045824 ZIRPSDXHTNCDRH-UHFFFAOYSA-N 419.955 5.203 0 40 HKAB C[C@@H](Sc1ncnc2scc(-c3ccc(F)cc3)c12)C(=O)NC1CCCC1 21120447 PCHAVAWAHFFSDB-GFCCVEGCSA-N 401.532 5.037 0 40 HKAB Cc1ccc2cccc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)c2n1 21595514 APVVOPLQZGQNIM-UHFFFAOYSA-N 405.910 5.477 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(CN2CCCC2=O)cc1 23010603 FXTFXCBFYKPOCN-UHFFFAOYSA-N 420.896 5.507 0 40 HKAB CCCOP(=O)(OCCC)[C@@H](NC(=O)C(Cl)(Cl)Cl)c1ccccc1 26779851 FKQIKVGJIUVMRG-CYBMUJFWSA-N 416.669 5.218 0 40 HKAB Cc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)cc1C 27582680 CMXQUQURVFMSER-HSZRJFAPSA-N 414.977 5.069 0 40 HKAB COc1ccc([C@@H](CNC(=O)c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 27746067 QSTXNTILINMQKH-HXUWFJFHSA-N 404.897 5.392 0 40 HKAB Clc1ccc(CSc2nnc3n(Cc4ccccc4)c4ccccc4n23)cc1 33373688 UGHNUSOLMYPSMB-UHFFFAOYSA-N 404.926 5.678 0 40 HKAB S=C(c1cc(Br)ccc1OCc1ccc(Cl)cc1)N1CCCCC1 35405204 HIYRECDBMHWDDG-UHFFFAOYSA-N 424.791 5.843 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)C1CCN(Cc2ccccc2F)CC1 39761211 ILXCCTQJTPHOPB-UHFFFAOYSA-N 404.485 5.469 0 40 HKAB O=C(Nc1cccc(OC(F)(F)F)c1)N1CCC[C@@H]1c1nc2ccccc2s1 44017763 KRRJKLWOPXXZGP-OAHLLOKOSA-N 407.417 5.564 0 40 HKAB Cc1ccccc1-n1nc(C)c(CN(Cc2cccnc2)Cc2cccs2)c1C 57797001 AJFRZACOWLXISG-UHFFFAOYSA-N 402.567 5.456 0 40 HKAB O=C(NCCCc1ccccc1)c1scc(-c2ccc(F)cc2)c1-n1cccc1 64472704 XMFTYLKIGIAVET-UHFFFAOYSA-N 404.510 5.708 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(Cl)c2C)nc1 67294395 RLSACNLYINSYTB-RWEWTDSWSA-N 419.868 5.288 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 71849578 RYUAPXSKCZQVDP-UHFFFAOYSA-N 422.356 6.000 0 40 HKAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4scnc4C)C3)c(-c3ccncc3)c2c1 72396644 XQVXNIQGONRGMG-SFHVURJKSA-N 416.550 5.323 0 40 HKAB CSc1ccc([C@H]2C3=C(O)C[C@@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc1 102719255 ZBZKCFFLCDCYOC-KSFYIVLOSA-N 418.518 6.018 0 40 HKAB CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 106971298 UAYADKCVHUWFQI-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB O=C(COC(=O)c1ccccc1OCc1ccccc1)c1ccc(-c2ccccc2)cc1 140016552 KBNSDJKRAXUYDA-UHFFFAOYSA-N 422.480 5.972 0 40 HKAB COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC(C)C 222573824 QPWATDBZBYZVIB-FASAQXTFSA-N 417.962 5.120 0 40 HKAB Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)o2)cc1Cl 222634148 QZAARLCWHHICMV-SZFUDVHCSA-N 409.942 5.893 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1C(C)C 223331892 DAMKEWVBYNFXSR-RTBURBONSA-N 405.538 5.925 0 40 HKAB CC(C)(C)CC(C)(C)NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 224398238 PNYNVUJXYGCKGI-UHFFFAOYSA-N 422.978 5.085 0 40 HKAB O=C(NCc1cccc(CN2CCCCC2)c1)c1ccccc1OCc1ccccc1 224676185 NDCPOKOKBZTZKV-UHFFFAOYSA-N 414.549 5.182 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3F)o2)cc1 224917592 RLYOUHFAEMZYHH-UHFFFAOYSA-N 402.425 5.799 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1C 225048725 YVIFHZBZTRDUMF-IQJJTXKVSA-N 418.562 5.322 0 40 HKAB CCOC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1Cl 225407516 GHLPKYFJHOFHCG-CQSZACIVSA-N 418.990 5.862 0 40 HKAB Nc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(Cl)c1 227148378 OEKJCQCNCUIXHX-ZZXKWVIFSA-N 407.684 6.141 0 40 HKAB C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)C4=CC[C@]3(C)[C@H]1[C@H]2C 253505119 QCVKYDNFSXDPSW-WNDGYDOMSA-N 414.630 5.714 0 40 HKAB biogenic,in-vitro COc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(C)cc1 408552892 LLEXWXIQROTVNX-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 408561326 HUCWKSOSJPCMJI-LVWGJNHUSA-N 412.986 6.237 0 40 HKAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408577335 YYBUUVCPQRXZJG-INIZCTEOSA-N 409.938 5.831 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)cc2-c2ccc3ccccc3c2)cc1 408727745 XIJQWERDUOWEMK-UHFFFAOYSA-N 421.475 6.392 0 40 HKAB C[S@@](=O)Cc1ccccc1NCc1cccc(Oc2cccc(C(F)(F)F)c2)c1 547269793 BBDRQWZXVLCCHO-GDLZYMKVSA-N 419.468 5.988 0 40 HKAB CC(=O)N1CC2=C(C1=O)[C@@H](C1CCCCC1)c1cn(CCC(C)C)c3cccc(c13)N2 604404747 JVNKYBGMILRJLN-QHCPKHFHSA-N 419.569 5.420 0 40 HKAB biogenic Cc1cc2c(cc1-c1ccnc3nc(-c4ccccc4Cl)nn13)[C@H](C)CC(C)(C)N2 618256609 JWIYEBIBSAUVJC-OAHLLOKOSA-N 417.944 6.118 0 40 HKAB CCCC[C@H](CC)COC(=O)c1cc2c(C=O)sc(Br)c2s1 1776011068 WPAHRDRZCCJSAV-JTQLQIEISA-N 403.363 5.911 0 40 HKAB CCOc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 1889186690 SDDXAJAVPWQDGV-ZEJWNPQBSA-N 408.626 6.872 0 40 HKAB CCc1ccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)cc1 649058 ORIDDLADCLTZFO-UHFFFAOYSA-N 406.436 5.457 0 40 HKAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(F)cc4F)sc3n2)cc1 661558 QSPPCCFQRRKBLE-UHFFFAOYSA-N 411.433 5.085 0 40 HKAB CCOc1ccc(Br)cc1/C=C/C(=O)Nc1cc(C)c(Cl)cc1OC 941509 ASACUTCAHJERQA-VMPITWQZSA-N 424.722 5.470 0 40 HKAB Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1C(=O)Nc1ccc2c(c1)CCC2 1379081 GTLWTOQLFAIIBX-UHFFFAOYSA-N 411.914 5.098 0 40 HKAB Clc1ccc(CSc2cnnc3c(Br)cccc23)c(Cl)c1 1713798 NWDBGKIHWASMOV-UHFFFAOYSA-N 400.128 5.991 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@H](C(C)C)OC3 1749713 ZEXXBVVHXGVDNZ-QGZVFWFLSA-N 414.596 5.355 0 40 HKAB CC1(C)c2ccccc2N(c2ccccc2)[C@]12C=Cc1cc(Br)ccc1O2 2025762 MUWVUQCERYZVPL-DEOSSOPVSA-N 418.334 6.681 0 40 HKAB CC(C)Oc1ccc(-c2nc(Oc3ccc4ccccc4c3)c3ccccc3n2)cc1 2236057 RUNRRJRYQFKFIY-UHFFFAOYSA-N 406.485 7.030 0 40 HKAB O=C(CSc1nc2ccccc2c(=O)n1C1CCCCC1)c1ccc(Cl)cc1 2361676 BFVLJRQOBFMGDL-UHFFFAOYSA-N 412.942 5.530 0 40 HKAB CCOc1ccccc1Oc1c(C)oc2cc(OCc3ccc(C)cc3)ccc2c1=O 2434920 RFADBOOJVQPNOP-UHFFFAOYSA-N 416.473 6.180 0 40 HKAB biogenic CCCCc1cc2c(=O)c(-c3cc4ccccc4o3)coc2cc1O[C@H](C)C(=O)OC 2442650 PFDDKEMKUIPDFR-OAHLLOKOSA-N 420.461 5.489 0 40 HKAB biogenic COc1cc2c3nnc(-c4ccc(C)c(C)c4)c-3cn(Cc3ccccc3)c2cc1OC 2691299 UKDMGKOUIOSMOT-UHFFFAOYSA-N 423.516 5.885 0 40 HKAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2cc(Cl)ccc2Cl)c1Cl 3239088 YNXPRQNCJPYYON-UHFFFAOYSA-N 407.080 5.404 0 40 HKAB CCOc1ccc2nc(SCC(=O)Nc3ncc(Cl)cc3Cl)sc2c1 3264111 DJBVNCWDOGZOMX-UHFFFAOYSA-N 414.339 5.128 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C 3280529 XJXPHEFEGRSXLS-UHFFFAOYSA-N 407.310 5.133 0 40 HKAB CCN(CC)C(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 3422357 BMHZNRHBRAPLTL-UHFFFAOYSA-N 400.522 5.329 0 40 HKAB COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2ccccc2F)o1 3626410 NVINIJKVBJYQJF-DEOSSOPVSA-N 414.436 5.865 0 40 HKAB O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 4677345 WVTKERJKDMYADC-CPVFJDIBSA-N 406.869 5.963 0 40 HKAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccccc1C(C)C 4682392 AIZBVWNXADZTCJ-UHFFFAOYSA-N 424.570 5.040 0 40 HKAB O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(Cl)cc1 4697302 UBCQNAYMIJJLRK-QXUMQBBKSA-N 401.293 5.009 0 40 HKAB COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OCc1ccc(C)cc1 4853481 MOWZYJVDDAVWII-HMAPJEAMSA-N 413.473 5.236 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc2sccc2n1Cc1ccccc1 4970993 IXIRGLPVDXSZSK-UHFFFAOYSA-N 401.318 6.310 0 40 HKAB COc1ccc2[nH]cc(/C=C/c3nc4ccccc4c(=O)n3-c3cccc(C)c3)c2c1 5478650 PEHNROYLAJGLOK-JLHYYAGUSA-N 407.473 5.354 0 40 HKAB COc1ccc(-n2c(SCc3cc(C)on3)nnc2-c2ccccc2Cl)cc1 5702311 VTMKMSDPKCXACA-UHFFFAOYSA-N 412.902 5.185 0 40 HKAB Cc1ccc(C(=O)CSc2nccc(CCc3ccc(Cl)cc3Cl)n2)cc1 5794055 ZFZBCWHIQPMWLK-UHFFFAOYSA-N 417.361 5.852 0 40 HKAB CCCCOc1cccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c1 6051247 YBNYGBWUAAZGJD-UHFFFAOYSA-N 412.511 5.259 0 40 HKAB O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 6270384 DKZHYAMEOKGXSR-UHFFFAOYSA-N 403.731 5.178 0 40 HKAB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 6295841 LNDHOOSJXHCQIP-VCHYOVAHSA-N 403.862 5.280 0 40 HKAB COC(=O)c1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)oc2ccccc23)cc1 6672826 APJFFSADNOPASY-UHFFFAOYSA-N 411.413 5.736 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)C[C@H]3Sc4ccccc4NC3=O)cc2)c1 6982021 LPRIQDIPJKZCSX-OAQYLSRUSA-N 404.491 5.229 0 40 HKAB Cc1c(Cl)c(CSc2nnc(NCc3ccco3)s2)nc2ccccc12 7161958 ZNVLLVWEBMAQRM-UHFFFAOYSA-N 402.932 5.546 0 40 HKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CCc2ccccc2)cc1 7347565 XGVDOQCTLKFUTQ-UHFFFAOYSA-N 414.461 5.265 0 40 HKAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCc3c(Cl)cccc3Cl)c2C1 8150682 VBYQELSJKRGHPF-ZDUSSCGKSA-N 400.305 6.023 0 40 HKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cc(C)cc(C)c1 8335515 GEMCZHHKERNZFH-UHFFFAOYSA-N 414.505 6.496 0 40 HKAB c1ccc(Cn2c(-c3nc4ccccc4nc3-c3ccccc3)nc3ccccc32)cc1 8617173 BHFMKKQWHRGPRM-UHFFFAOYSA-N 412.496 6.362 0 40 HKAB CCOC(=O)c1ccc2c(c1)nc(COc1ccccc1-c1ccccc1)n2CC 8653965 ZVXICTQWTJKDJA-UHFFFAOYSA-N 400.478 5.479 0 40 HKAB COc1ccc2nc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)sc2c1 9224896 IBSIQHLSFDFTLE-UHFFFAOYSA-N 413.351 5.484 0 40 HKAB COc1ccc2[nH]c(=O)c(-c3nc4cccc(C)n4c3Nc3cc(C)cc(C)c3)cc2c1 9308429 IPTBTNXWULVRLJ-UHFFFAOYSA-N 424.504 5.520 0 40 HKAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)c1nnc(-c2cccc(Cl)c2)o1 9593393 QQKDQWFHEGIQEP-CYBMUJFWSA-N 423.929 5.701 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3c(=O)cc(-c4ccc(C(C)(C)C)cc4)oc3c2)cc1 9660305 HMYNBWQCHYECBF-UHFFFAOYSA-N 411.501 6.318 0 40 HKAB biogenic COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)Cc2ccsc2)cc1 9744344 WWHZGTBUZQWYNO-UHFFFAOYSA-N 404.535 5.496 0 40 HKAB CC[C@@H](NC(=O)CCn1c(-c2cccc(C)c2)n[nH]c1=S)c1ccc(Cl)cc1 10423376 XCNDBJBSAAKZFS-GOSISDBHSA-N 414.962 5.227 0 40 HKAB Clc1ccccc1OCCSc1nnc(-c2ccncc2)n1-c1ccccc1 11308506 NLPZXYGVGLSTOM-UHFFFAOYSA-N 408.914 5.154 0 40 HKAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)c(C(F)(F)F)c1 11461688 SOSKMFRETKCAQR-UHFFFAOYSA-N 412.770 5.724 0 40 HKAB O=C(COc1ccc2ccccc2c1)Oc1ccc(Br)c2ccccc12 12040036 PSAZYFKLLGZJRH-UHFFFAOYSA-N 407.263 5.740 0 40 HKAB Cc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(Br)c1 12551070 NAOJOEYMUVGWDV-UHFFFAOYSA-N 410.724 5.018 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3c4ccccc4C[C@H]3C)c2n1 12587391 OOWFYARAYWSGAM-CYBMUJFWSA-N 401.293 5.207 0 40 HKAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCc1ccc(Cl)cc1 12630413 SAUXVURRSIYLGJ-DEOSSOPVSA-N 400.909 5.918 0 40 HKAB COc1ccc2c(C)c(CCC(=O)Nc3c(C(C)C)cccc3C(C)C)c(=O)oc2c1 12975579 OBUQXOFLGGEFSX-UHFFFAOYSA-N 421.537 5.928 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccccc2)cc1 14609683 YQTFPWWLYRDOJD-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB CCOc1cc(C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC 15587471 CNIHRTNAVRIKPP-UHFFFAOYSA-N 419.102 5.416 0 40 HKAB Cc1cc2sc(NC(=S)NC(=O)c3cccc(OC(C)C)c3)nc2cc1Cl 16284313 MOIOYIVXKPIDLC-UHFFFAOYSA-N 419.959 5.172 0 40 HKAB O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)c(Cl)c1 16401950 GEMXZAHICPARAR-UHFFFAOYSA-N 416.333 5.106 0 40 HKAB O=C(Nc1ccccc1)Nc1ccc(N(C(=O)Nc2ccccc2)c2ccccc2)cc1 16489616 JRQLAADQTKBMCG-UHFFFAOYSA-N 422.488 6.701 0 40 HKAB Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1C(=O)CC(C)(C)C2 16740176 CXQYFUXESDZGQX-UHFFFAOYSA-N 401.506 5.586 0 40 HKAB Cc1ccc(C(C)C)c(OCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)c1 17056938 HYQCHGORKHPSGR-UHFFFAOYSA-N 416.934 5.846 0 40 HKAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN2C(=O)c2c(C(C)C)noc2C)n1 19692074 GYEGXFIFMBGYLS-QHCPKHFHSA-N 417.553 5.686 0 40 HKAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 20140092 PKBMJDQVKZUPPQ-UHFFFAOYSA-N 410.640 5.857 0 40 HKAB CCOc1cc(OCC)cc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1 20143380 MYHWXCKRCLDFFX-UHFFFAOYSA-N 415.873 5.142 0 40 HKAB O=C(CSc1[nH]c(-c2cccc(Cl)c2)nc1-c1ccccc1)NCc1ccco1 20854890 NMDOXZGAGWYBKQ-UHFFFAOYSA-N 423.925 5.399 0 40 HKAB Fc1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCCO5)c(F)c1 21017654 AVNVGQFYFHEJAD-UHFFFAOYSA-N 415.399 5.290 0 40 HKAB CCOc1ccc(-c2cc(C(=O)N(Cc3cccc(F)c3)Cc3ccco3)no2)cc1 21524314 VCUHZZNSNOYVHV-UHFFFAOYSA-N 420.440 5.315 0 40 HKAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 22131477 VIVLBFQTMLPKOX-UHFFFAOYSA-N 422.560 5.809 0 40 HKAB O=C(Nc1ccccc1-c1nc(-c2cccs2)no1)c1ccc(Br)o1 22461458 BNLATEPQPJMVGG-UHFFFAOYSA-N 416.256 5.073 0 40 HKAB COc1ccc(CN(C)C(=O)N2c3ccccc3Sc3ccccc32)cc1OC 22510889 BWWITKWKPOIILI-UHFFFAOYSA-N 406.507 5.559 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1OCC 22523212 QTJONOACMCLQLQ-HXUWFJFHSA-N 424.585 5.207 0 40 HKAB O=C(Nc1ccccc1SC1CCCC1)C1CCN(C(=O)c2ccsc2)CC1 25267596 BXEKIHJJMBYMBZ-UHFFFAOYSA-N 414.596 5.274 0 40 HKAB Cc1cccc(CSc2ncc(Br)c(C(=O)Nc3ccccc3)n2)c1 27795550 IOICOTWQVXUNSU-UHFFFAOYSA-N 414.328 5.092 0 40 HKAB Cc1ccc(OCCCCSc2nnc(CSc3ccc(C)cc3)n2C)cc1 28284652 POBUQJPKPIZFPQ-UHFFFAOYSA-N 413.612 5.676 0 40 HKAB CC(=O)N(c1nc(COc2ccc3ccc(=O)oc3c2)cs1)c1ccc(C)cc1C 31640204 PNXCWJOGODCIER-UHFFFAOYSA-N 420.490 5.130 0 40 HKAB Cc1csc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCCC3)n1 32103191 DGRSBDWODGSFBY-HXUWFJFHSA-N 423.582 5.275 0 40 HKAB CSc1cccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c1 32578562 APXWSESXERLQOQ-UHFFFAOYSA-N 417.490 5.143 0 40 HKAB O=C(Oc1ccc(-c2nnco2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 32996069 SNEOKGRPXMCXLY-UHFFFAOYSA-N 410.351 5.642 0 40 HKAB O=C(NCCSCc1ccccc1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 36395278 GVGCAKPBZFPMOR-RBUKOAKNSA-N 408.592 5.396 0 40 HKAB CCn1nc(C)c2c(C(=O)N3c4ccccc4C[C@@H]3C)cc(-c3ccc(C)cc3)nc21 36616364 OTOIXKOFWYKRJI-KRWDZBQOSA-N 410.521 5.326 0 40 HKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C2CCCCC2)cc1 44086242 GLFXQGXJUZWOER-UHFFFAOYSA-N 405.567 6.095 0 40 HKAB Cc1nn(C)c2c1[C@H](c1cccc(OCc3ccccc3Cl)c1)SCC(O)=N2 49545120 IQQYRLJZBTWYLM-FQEVSTJZSA-N 413.930 5.385 0 40 HKAB COc1ccccc1-c1noc(-c2cn(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)n1 67245279 YZUJPUFLHOUADJ-UHFFFAOYSA-N 423.472 5.333 0 40 HKAB CC(C)Oc1ccc(-c2nnc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)o2)cc1 85347774 HTSLMMVSMLNOKP-QZTJIDSGSA-N 401.507 5.075 0 40 HKAB COc1ccc(CCNc2c(Cc3ccccc3)c(=O)oc3ccccc23)cc1OC 95115822 LJJQQBSVKUHWOS-UHFFFAOYSA-N 415.489 5.056 0 40 HKAB Cc1nc(N2CCCC2)nc(C)c1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 96098652 RCELZHKDRWQWAM-UHFFFAOYSA-N 413.831 5.010 0 40 HKAB COC(=O)c1cccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)c1 100845971 SXHOEMCLSGYCKF-UFINEARASA-N 403.522 5.258 0 40 HKAB COc1ccc(NC2=C[C@H](c3ccccc3Cl)N(c3ccc(OC)cc3)C2=O)cc1 103753777 QTMWJVVLJKKNFW-HSZRJFAPSA-N 420.896 5.441 0 40 HKAB O=C1S/C(=C/c2ccc(-c3ccccc3)cc2)C(=O)N1Cc1ccc(Cl)cc1 214165123 DQHFUYKQMJAEHX-KGENOOAVSA-N 405.906 6.244 0 40 HKAB Cc1ccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)cc1N1CCCC1=O 225661389 DRLPAXCVUADULD-GOSISDBHSA-N 409.599 5.165 0 40 HKAB CCOc1ccc(C2(NC(=S)Nc3ccc(OC4CCCC4)cc3)CCCC2)cc1 225869059 KNPYVORWNIZLAO-UHFFFAOYSA-N 424.610 6.163 0 40 HKAB COc1ccc([C@@H]2CN(c3ccccc3)[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)cc1 257238189 HJYBYWYLHKVMOK-VABKMULXSA-N 408.542 5.067 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](C(=O)O)CC[C@@H]4[C@@H]3CC[C@]12C 263606770 RGDMWGKNYCFTOQ-QFNHNSHFSA-N 400.647 7.339 0 40 HKAB Cc1ccc(COc2ccc([C@H]3SCC(=O)N3c3ccc(Cl)cc3)cc2)cc1 408553692 BLNJTNGRUFYTRZ-HSZRJFAPSA-N 409.938 6.006 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408649081 ZJIMLWBOJZWARG-JTQLQIEISA-N 417.214 5.004 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccccc2)cc1Cl 408698425 NSJWDMXEJSDZGX-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB COc1ccc2ccc(OC)c(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c2c1 409130975 ORSGOYUWRMHQKS-FYJGNVAPSA-N 411.523 5.474 0 40 HKAB CCCCCN1C(=O)S/C(=C\c2ccc(OCC)c3cccc(OCC)c23)C1=O 409210798 KYCTXSGGIZHIPF-HKWRFOASSA-N 413.539 5.864 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)/C(=C/c1ccccc1Cl)c1ccccc1 409259869 GVGKZEIBSHXART-DTQAZKPQSA-N 402.708 6.826 0 40 HKAB CCCCN1C(=O)CC[C@H](c2nc(-c3ccccc3F)no2)[C@H]1c1ccc(OC)cc1 545595490 SVOVPANIXJMURL-SIKLNZKXSA-N 423.488 5.132 0 40 HKAB C/C(=C/C=C(\C)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3/C[C](O)C[C@H](O)C3)CCC[C@]12C 1560411616 QLTUVAKGIWXGKU-WFGQYKJQSA-N 413.622 6.168 0 40 HKAB c1ccc(CSc2nc3ccccc3[nH]2)c(CSc2nc3ccccc3[nH]2)c1 721457 DGCXJWBXTSVGTH-UHFFFAOYSA-N 402.548 6.024 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 728436 FXESYNMRZFNIFX-UHFFFAOYSA-N 411.672 5.871 0 40 HKAB CC(=O)CSc1nc2scc(-c3ccc(C)cc3)c2c(=O)n1-c1ccccc1 948521 SEIQPYDCMNMASG-UHFFFAOYSA-N 406.532 5.104 0 40 HKAB Cc1ccc(C)c(CSc2nnc(Cc3csc(Nc4ccccc4)n3)o2)c1 1332923 OPWRDXJBNFBWSF-UHFFFAOYSA-N 408.552 5.770 0 40 HKAB CCCCCc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@@H]2C)cc1 1804417 HVTRLCYNKJMKMI-LVXARBLLSA-N 412.577 7.012 0 40 HKAB O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OC/C=C/c3ccccc3)cc2o1 2128232 JYNWMVJOMDQCGC-RMKNXTFCSA-N 422.436 5.659 0 40 HKAB biogenic CCN(CC)CCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2355798 BHIQMLDPFKTVLT-UHFFFAOYSA-N 424.328 5.136 0 40 HKAB CCCC(=O)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 2362303 PLICJUGSEFUGCU-UHFFFAOYSA-N 416.952 7.047 0 40 HKAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(C)cc1 2369504 PXBLKWLLBSFBBD-SETSBSEESA-N 422.509 6.202 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2F)N2CCCCC2)c1C 2546497 TVQOFRXHPKIJRS-HSZRJFAPSA-N 422.569 6.332 0 40 HKAB CCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 2974999 ZFDBMCRPLDLXCJ-UHFFFAOYSA-N 410.443 6.318 0 40 HKAB CCCCCCC(=O)N[C@@H](Sc1nc2ccccc2o1)C(Cl)(Cl)Cl 3148803 XLYLPEPDCRFONC-AWEZNQCLSA-N 409.766 5.703 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)Nc3cc(OC)c(OC)c(OC)c3)ccc21 3211264 NCLJRQGBAMLFLD-UHFFFAOYSA-N 419.481 5.484 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nc3ccccc3s2)c2ccccc2)c1 3299336 LZGDXJMROCBNHU-NRFANRHFSA-N 404.560 6.385 0 40 HKAB CCc1ccc(NC(=O)CN2C(=O)C[C@H](c3ccco3)Sc3ccccc32)cc1 4162825 GPPDMPXNLCPVOK-OAQYLSRUSA-N 406.507 5.051 0 40 HKAB CCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc21 4289502 DDJIUCUOZBRJRT-QGZVFWFLSA-N 401.535 5.843 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 4972802 RTPZRDGYMPQRKO-FLHAHTHFSA-N 414.674 7.569 0 40 HKAB CN(Cc1ccccc1)[C@H](c1ccccc1)[C@H](O)C(O)(c1ccccc1)c1ccccc1 5105039 PVLWQGZUFMCXRG-IZLXSDGUSA-N 423.556 5.157 0 40 HKAB CC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3c2C1 5214443 DBCGSBHBUMFFJI-AWEZNQCLSA-N 401.503 5.524 0 40 HKAB O=C(c1ccc(Oc2ccccc2)cc1)c1conc1-c1c(Cl)cccc1Cl 5378045 BMEVAAZBCWHEJJ-UHFFFAOYSA-N 410.256 6.672 0 40 HKAB Cc1sc2ncnc(SCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c2c1C 5560130 XSQNLVRLGFLGKN-HIGJEIRPSA-N 415.628 5.121 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1Br 5880248 RNIXILBSBJCQHE-UHFFFAOYSA-N 408.601 5.382 0 40 HKAB CCOc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 6048664 YMKOXAUULQFNNW-UHFFFAOYSA-N 402.881 6.206 0 40 HKAB CC(C)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 6346329 MXFJMXAUKUKUOD-GIJQJNRQSA-N 406.334 6.353 0 40 HKAB CCOC(=O)c1ccccc1NC(=O)N(CC)c1nc(-c2ccc(C)cc2)cs1 6826676 XPEBMABCFVZHDF-UHFFFAOYSA-N 409.511 5.354 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 7158809 UJDCVEKKICRRPN-SELVFMLMSA-N 408.542 5.205 0 40 HKAB Cc1ccccc1-c1noc(CSc2nc(C(F)(F)F)nc3ccccc23)n1 7160959 LIRAPSJMWCAGQQ-UHFFFAOYSA-N 402.401 5.299 0 40 HKAB O=C(NCc1ccccc1)c1ccccc1OCc1csc(-c2ccsc2)n1 7766586 NUUZPXLYEUKRQE-UHFFFAOYSA-N 406.532 5.381 0 40 HKAB O=C(Cc1csc(-c2ccsc2)n1)NCCC(c1ccccc1)c1ccccc1 7807846 CXPOMCLFUNEQAH-UHFFFAOYSA-N 418.587 5.753 0 40 HKAB CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc4ccccc4c3)o2)cc1 8280067 QXMWCARVLDRPRK-OAHLLOKOSA-N 419.506 5.408 0 40 HKAB COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2cccc(Cl)c2)cc1 9187039 UPDKYWHSJLOFMG-UHFFFAOYSA-N 421.905 5.843 0 40 HKAB O=c1/c(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)sc2nc3ccccc3n12 9260463 QATAAWRAAKLLGD-MOSHPQCFSA-N 420.946 5.262 0 40 HKAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc3c2O[C@H](C)[C@H]3C)cc1 9499339 BDTFDAJBVYQITI-HZPDHXFCSA-N 416.477 5.084 0 40 HKAB CCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc3ccccc3o2)cc1 9518320 JMXQUXUMMSUWJE-UHFFFAOYSA-N 424.456 6.246 0 40 HKAB S=c1n(CN(Cc2cccnc2)C2CC2)nc(-c2cccs2)n1-c1ccccc1 11246383 DMVYNMROCISKFV-UHFFFAOYSA-N 419.579 5.149 0 40 HKAB COc1cc(-c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)[nH]2)cc(OC)c1OC 12631485 MKMUPXAVPFGJGV-UHFFFAOYSA-N 414.505 6.053 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(NCc2ccco2)s1 12795783 SHRAPQYZAXKVIO-KGLIPLIRSA-N 416.572 5.376 0 40 HKAB CC(C)(C)c1ccc(/C=C/C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1 12867961 NGYPBQRYSLNPIQ-CAOOACKPSA-N 416.565 5.081 0 40 HKAB CC[C@H](C)N(C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)[C@H](C)CC 13113141 HSXLKIJRHQSTCN-OKILXGFUSA-N 403.979 6.088 0 40 HKAB Brc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccncc2)c1 13777051 WXUWYNJPIHGOLC-TZIWHRDSSA-N 406.283 5.086 0 40 HKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)NCc1cccnc1 15422988 WTTUEEZJHBNYGP-OUKQBFOZSA-N 420.472 5.010 0 40 HKAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccc1Br 15544181 SKWMNLPJWSDNAE-UHFFFAOYSA-N 413.296 5.249 0 40 HKAB Cc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)cs2)cc1 15832544 HNFMBFJQADSGKG-INIZCTEOSA-N 414.958 5.472 0 40 HKAB Cc1cc(SCC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)nc2ccccc12 15980292 COJFKXGCUXUKPH-UHFFFAOYSA-N 422.553 6.677 0 40 HKAB O=C(Nc1nc2cc(Cl)ccc2s1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 16385980 XVKQRCBGMDOOQN-UHFFFAOYSA-N 423.708 6.769 0 40 HKAB Cc1c(Cl)cccc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl 17087592 PCOYTHZMHDMCJB-UHFFFAOYSA-N 407.124 6.243 0 40 HKAB CC(C)C(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 17087845 ZGAUVPDYKNTUGL-UHFFFAOYSA-N 408.310 5.271 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2CN2CCOCC2)CCCC3)cc1 19911555 LDMVAJKFLNDMPO-UHFFFAOYSA-N 412.599 5.009 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(I)cc1 20241962 UYQNUKLPUUAOQE-UHFFFAOYSA-N 415.230 5.336 0 40 HKAB C[C@H]1CCc2c(sc3nc(CN(C)Cc4ccc(C(C)(C)C)cc4)[nH]c(=O)c23)C1 25480394 JEKNXUHMFCRAHG-HNNXBMFYSA-N 409.599 5.039 0 40 HKAB Cc1c(C(=O)Nc2ccnn2Cc2cccs2)oc2ccc(Br)cc12 28404858 UQBACKGSFKHVCU-UHFFFAOYSA-N 416.300 5.062 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)ccc1Cl 32622521 DZCPDDQBZXYEGE-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB COc1ccc(-c2csc(Cc3nc(-c4cccc(Cl)c4)no3)n2)cc1OC 33298186 LVHCKFALIULKDJ-UHFFFAOYSA-N 413.886 5.122 0 40 HKAB CCc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 38501179 MDBVOLBVFGVSQP-UHFFFAOYSA-N 415.468 5.405 0 40 HKAB Cc1nc(C)c(-c2nnc(S[C@@H](C(=O)c3ccccc3)c3ccccc3)o2)s1 40051686 HDMMUOWMOVPBNZ-LJQANCHMSA-N 407.520 5.526 0 40 HKAB CC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@H]1c1ccc(C)cc1 58196735 QKSRWYFGEMUKTD-SANMLTNESA-N 419.528 6.216 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Oc2ncccn2)cc1 59360580 OYYAXPPTKHOUKD-UHFFFAOYSA-N 424.819 5.277 0 40 HKAB CC(C)n1ncc2c1N=C(O)C[C@H]2c1ccc(-c2ccc(Br)cc2)o1 71279900 GDERHWVZGBAYMZ-CQSZACIVSA-N 400.276 5.610 0 40 HKAB Clc1ccc(-c2n[nH]c3ccc(Nc4ncnc5sccc45)cc23)cc1Cl 71405490 HYHYPXDMNKAZLB-UHFFFAOYSA-N 412.305 6.285 0 40 HKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1Cc1ccccc1 72215209 OEMYVDDLKDVNLN-DENIHFKCSA-N 409.574 5.959 0 40 HKAB C[C@H]1C[C@H](OC(=O)c2ccccc2C(=O)O[C@H]2C[C@H](C)CC(C)(C)C2)CC(C)(C)C1 85479203 ATHBXDPWCKSOLE-MUGJNUQGSA-N 414.586 6.430 0 40 HKAB Fc1ccc(NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1Cl 106983592 VDSAGKGAEPSOMH-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB CC[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 223077094 WTFUPUUCUATYTG-FQEVSTJZSA-N 412.382 5.443 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccccc1Cl 224140285 FIZWKLMOOQVKNS-SFHVURJKSA-N 423.940 5.679 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COCc1ccccc1 224747657 VGOMQWYBQLMTAJ-UHFFFAOYSA-N 409.913 6.016 0 40 HKAB COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1 224961608 IVHJFUFIFSQGDH-UHFFFAOYSA-N 404.853 5.923 0 40 HKAB Cc1ccc(CSCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225292896 PDVBTNLQGGXJAS-UHFFFAOYSA-N 418.937 5.887 0 40 HKAB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1 225349842 VSQLWFGURLXKFR-DHIUTWEWSA-N 420.582 5.428 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(I)cc1 225367589 HXKKMHZZNXEAOQ-UHFFFAOYSA-N 420.077 5.169 0 40 HKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 225434309 RCPZZFNFLJMXNY-INIZCTEOSA-N 419.959 5.280 0 40 HKAB COc1ccc(N2C(=O)[C@@H]3[C@@H](c4ccccc4)CC[C@@H](c4ccccc4)[C@H]3C2=O)cc1 229877269 QLBWEDTZLSUCNV-ZFFYZDHPSA-N 411.501 5.162 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](C(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253609154 CGHGJNRXRSZLJH-ANXXSGBDSA-N 414.674 7.729 0 40 HKAB CCCCn1nc(-c2cc(CC(=O)O)ccc2OCC)cc1-c1ccccc1OC 257249412 JIGDQALZIGMOAK-UHFFFAOYSA-N 408.498 5.052 0 40 HKAB O=C(CSc1nc2ccccc2s1)N1c2ccccc2S[C@@H]2C=CC=C[C@@H]21 408542265 IAPJZVQXXRVAGX-MAUKXSAKSA-N 408.573 5.391 0 40 HKAB Fc1ccc(COc2cccc(CNc3ccc(Br)c(Cl)c3)c2)cc1 408557143 NBHJGUTVQRSCLU-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB CCCCOc1ccc(C(=O)/N=c2\sc3c(n2CC)-c2ccccc2CC3)cc1 408559611 AACSEZSEGQLHPO-IZHYLOQSSA-N 406.551 5.255 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)cc1OC 408620588 HOCGZMMHBWEGOV-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)C)c3)nc2c1 408622868 PZNGDTFUZAQAKB-UHFFFAOYSA-N 401.919 5.234 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccccc2)cc1 408697304 IRRGAJOKUYBURL-UHFFFAOYSA-N 404.473 5.648 0 40 HKAB COc1ccccc1NC(=O)c1nc(-c2cccc(C)c2)n(-c2cccc(C)c2C)n1 408698781 PNGVYKDAZYPXBJ-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3cccc(C)c3)n2)cc1 408724023 CMPIOVJHPJMOMP-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB O=C(Nc1ccccc1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408727864 YFIQWDSNHGEKHP-UHFFFAOYSA-N 415.496 6.459 0 40 HKAB Cc1cccc(CSc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)c1 408751201 XRDRCAJUWPLSNI-UHFFFAOYSA-N 424.978 6.803 0 40 HKAB Cc1sc(NC(=O)CCC(=O)c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1 409197920 RYPYXOMPHJLGTA-UHFFFAOYSA-N 419.333 6.027 0 40 HKAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C1=O 409241170 RUQSIRNTAQATFR-WOJGMQOQSA-N 419.308 5.184 0 40 HKAB CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 409251103 OJADIUGZXKEAMH-UHFFFAOYSA-N 418.537 5.640 0 40 HKAB CC(C)N1CCC[C@@H](Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1 2037843771 IPLVIELKFKDFHT-SFHVURJKSA-N 410.562 5.751 0 40 HKAB CCOc1cccc(-c2cc(C(=O)Nc3ccc4c(c3)CCC4)c3ccccc3n2)c1 681848 CNRKKHWMJXRLOW-UHFFFAOYSA-N 408.501 6.042 0 40 HKAB Cc1cc(C)c(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@H]3C2=O)c(C)c1 866614 AWMLJLFPSPKXQA-MSSGHMPVSA-N 407.513 5.183 0 40 HKAB O=C1N(c2cccc3ccccc23)[C@@H](c2ccc(Br)cc2)N2CCCN12 1252740 MRJXYMLZHFRGMG-FQEVSTJZSA-N 408.299 5.164 0 40 HKAB O=C(O)CCC=CC[C@H]1CO[C@@H](c2ccccc2Cl)O[C@H]1c1ccccc1O 1537506 WHUIENZXNGAHQI-ITEAAPOESA-N 402.874 5.260 0 40 HKAB CC(C)CCCN(CCCC(C)C)C[C@H](O)c1cc2c(c3ccccc13)CCCC2 1683594 CMRXWGIWQNOVPL-NDEPHWFRSA-N 409.658 6.926 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CC(C)(C)OC3 1784571 OQCBWYGBQPWAIL-UHFFFAOYSA-N 400.569 5.109 0 40 HKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1cccc(CC)c1 1912833 FHLVONKDMOPRSE-UHFFFAOYSA-N 409.507 5.172 0 40 HKAB C[C@H]1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 2083335 GMBQZIIUCVWOCD-OFMODGJOSA-N 416.646 5.794 0 40 HKAB in-vitro CCOc1cccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)OC(C)C)c1 2088382 KDGJSHLNVXOKLQ-UHFFFAOYSA-N 409.507 5.631 0 40 HKAB Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc(C(C)C)cc4)c(C)c3cc2c1C 2150077 PBEDDWGPWGFDEE-UHFFFAOYSA-N 417.505 6.159 0 40 HKAB biogenic Cc1cc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)ccc1Br 2210468 RZOBTKIGAXIUDM-UHFFFAOYSA-N 421.323 5.768 0 40 HKAB O=C(Nc1cccc(Cl)c1)Nc1nnc(SCc2ccccc2Cl)s1 2321206 APKLDLXDQSJGPO-UHFFFAOYSA-N 411.339 5.781 0 40 HKAB Cc1ccc(-c2csc3ncnc(SCc4c(Cl)cccc4Cl)c23)cc1 2361737 OVDIKTQSLQSXPV-UHFFFAOYSA-N 417.386 7.266 0 40 HKAB Cc1cccc(-c2nsc(SCC(=O)Nc3ccccc3C(F)(F)F)n2)c1 2917544 NZBHSMHDPCCBST-UHFFFAOYSA-N 409.458 5.263 0 40 HKAB Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2cccc(Br)c2)cc1 3060809 HIFIKBYPNBWHCA-JOCHJYFZSA-N 420.350 6.011 0 40 HKAB O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1c(Cl)cccc1Cl 3235467 JLNMPUNTERXFTM-UHFFFAOYSA-N 407.080 5.025 0 40 HKAB Cc1ccc(C)c(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1 4033364 GMOAUFLKXNKLEG-FQEVSTJZSA-N 413.496 5.361 0 40 HKAB O=C(c1cc2ccccc2o1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 4120489 KXPRVBXRPJOILX-UHFFFAOYSA-N 404.413 5.197 0 40 HKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC(=O)c4ccco4)cc2)N3)C1 4571362 UCGWJMPFGDJVPT-CWTRNNRKSA-N 408.479 5.114 0 40 HKAB Cc1cc(C)c(S(=O)(=O)NCCSCc2ccc(Cl)c(Cl)c2)c(C)c1 4699243 MXLQFRFRATUTRD-UHFFFAOYSA-N 418.411 5.130 0 40 HKAB CC(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc23)cc1 4734500 RBGPUJLXMNIWDU-AREMUKBSSA-N 423.516 5.475 0 40 HKAB Cc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccc(C)cc3)C2)cc1 4811758 XSIRDCWQETUNSP-XMMPIXPASA-N 404.535 5.152 0 40 HKAB CN(C(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12)C1CCCCC1 4966799 DPJIELWFZRQKTR-UHFFFAOYSA-N 409.530 5.319 0 40 HKAB Brc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)c1 5163821 WXUWYNJPIHGOLC-FPOVZHCZSA-N 406.283 5.086 0 40 HKAB Cc1oc2c(C)c3oc(=O)c(CC(=O)N4CCCC4)c(C)c3cc2c1-c1ccccc1 5235712 LHIHCWINZHDDBK-UHFFFAOYSA-N 415.489 5.296 0 40 HKAB Fc1ccc(C2=Nc3ccc(F)cc3C(c3cccc(C(F)(F)F)c3)=NN2)cc1 6251110 XWWFFEOHMWWCSP-UHFFFAOYSA-N 401.338 5.418 0 40 HKAB CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1cc2ccccc2o1 6356618 DUZRQAPBXCOSOZ-UHFFFAOYSA-N 420.538 5.565 0 40 HKAB COc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccccc2)cc1 6405694 KPKXQAJAIQVVIG-RWEWTDSWSA-N 404.853 5.580 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CN1c1ccc(F)cc1 6752608 IUSPFLWJJBZTTM-AQDCRGGLSA-N 411.480 5.409 0 40 HKAB CCN(C(=O)Cc1cc2ccccc2[nH]1)C1(C(=O)Nc2cccc(C)c2)CCCCC1 6779340 IMLAJYGCWZHOEE-UHFFFAOYSA-N 417.553 5.209 0 40 HKAB CC(C)c1ccc(NC(=O)CSC2=NC3(CCCCCC3)Nc3ccccc32)cc1 6901977 ZUASPLAJRFVIHY-UHFFFAOYSA-N 421.610 6.405 0 40 HKAB O=C1CS[C@@H](c2ccc(F)cc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1 6927774 PFPACCVVJRBMRB-QHCPKHFHSA-N 415.493 5.453 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)N(C)C)cc3)c3ccccc3n2)cc1 7595606 JVGKSFVHODCLKU-UHFFFAOYSA-N 409.489 5.164 0 40 HKAB COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1Cl 7807707 MAGRZLLHFZJXPV-UHFFFAOYSA-N 404.853 5.923 0 40 HKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccccc1OCc1ccc(Cl)cc1 8442545 GCMBKRTUMDIFPT-MOSHPQCFSA-N 424.283 5.917 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1c1ccc(Cl)cc1 8755775 RVZXXJKDSVEFKR-KRWDZBQOSA-N 419.887 5.398 0 40 HKAB Cc1nc2c(=O)n(Cc3ccc(Cl)c(Cl)c3)nc(-c3cccs3)c2s1 8956074 CPPUIXJKTAWSID-UHFFFAOYSA-N 408.335 5.245 0 40 HKAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)c3ccc(Cl)cc3)n2C)cc1 9328117 MWYPNGWRJGOONV-AWEZNQCLSA-N 415.946 5.146 0 40 HKAB Clc1ccc(-n2c(SC[C@H]3CCCCO3)nnc2-c2ccncc2)cc1Cl 9670893 NREVBUBFLWFAHF-OAHLLOKOSA-N 421.353 5.297 0 40 HKAB Cc1ccc(-n2ncc(C(=O)NCC34CC5CC(CC(C5)C3)C4)c2C(F)(F)F)cc1 10024924 ZTXWFQXSFZTOBC-UHFFFAOYSA-N 417.475 5.146 0 40 HKAB COc1ccc2c(c1)CCCN2C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 10542159 AAZWAIRIJOYDDJ-UHFFFAOYSA-N 406.096 5.297 0 40 HKAB Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2nc(-c3cccs3)cs2)n1 11693800 HJHGVUHXTMVHQG-UHFFFAOYSA-N 400.916 5.271 0 40 HKAB CC(C)Nc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)s1 12761022 CBBGFTGALCSWGD-QMMMGPOBSA-N 424.901 5.150 0 40 HKAB Cc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[C@H](C)C3)on1 12870031 UUIGVUZRLSISNL-NSHDSACASA-N 409.536 5.698 0 40 HKAB COc1ccc(NC(=O)[C@H](N[C@H](C)c2cccs2)c2ccccc2)cc1Cl 12974416 CZNBVKLUCXWFJV-JLTOFOAXSA-N 400.931 5.441 0 40 HKAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1nc(-c2cccc3ccccc23)cs1 13164602 MMRNQUVMZOQNHD-UHFFFAOYSA-N 424.957 6.030 0 40 HKAB CC(C)C/C=C\[C@@H](C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 13408890 XBGUSQBSWPZOOX-MWNDIZLISA-N 414.630 6.229 0 40 HKAB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)cc1OC 13770213 SCUTXQRXFFYAIA-WUMKDDEVSA-N 415.961 5.226 0 40 HKAB C[C@H]1CCc2c(sc3nc(/C=C(\Br)c4ccccc4)[nH]c(=O)c23)C1 13943974 XOJBMLCNEZMESZ-HKLRHMNMSA-N 401.329 5.002 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)c(C)c1 14069823 XKUURQOZNQRALQ-UHFFFAOYSA-N 421.353 5.137 0 40 HKAB CC(C)=C[C@@H]1Oc2cc(O)ccc2-c2oc3c4c(cc(O)c3c(=O)c21)OC(C)(C)C=C4 14951190 GDQXJMLXEYSICD-IBGZPJMESA-N 418.445 5.455 0 40 HKAB endogenous,in-man Cc1ccsc1CN(Cc1ccco1)C(=O)C(c1ccccc1)c1ccccc1 15831756 ILLBNHFUOXRVTD-UHFFFAOYSA-N 401.531 6.010 0 40 HKAB Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc(O)cc(-c2ccccc2)n1 16841308 YPZHUVDRMXBCAP-UHFFFAOYSA-N 409.898 5.758 0 40 HKAB Cc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1Cl 17087498 SCUDTFPUGBBORR-FNORWQNLSA-N 406.696 6.867 0 40 HKAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(Br)cc1 19314714 JDCKOYCHZZTJJE-GOSISDBHSA-N 418.331 5.457 0 40 HKAB COc1cccc(CN[C@@H](Cc2cccs2)c2nccs2)c1OC1CCCC1 19568173 OUCIEHXHWZCPNT-IBGZPJMESA-N 414.596 5.608 0 40 HKAB FC(F)(F)c1cnc(N2CCC(c3cc(-c4cccs4)[nH]n3)CC2)c(Cl)c1 20405663 NDOMYIFOQFTFCS-UHFFFAOYSA-N 412.868 5.589 0 40 HKAB Cc1ccc(C(=O)c2c(N)c(-c3nc(-c4ccccc4)cs3)c3ccccn23)cc1C 20442002 GYFYILRORFFHLK-UHFFFAOYSA-N 423.541 6.160 0 40 HKAB C[C@H]1CC(=O)c2c(Nc3cccc(C(F)(F)F)c3)nn(-c3ccc(F)cc3)c2C1 20672215 LJKVEXUVCKDKPU-GFCCVEGCSA-N 403.379 5.539 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 22531276 UGWNYGIWJDZJGW-HXUWFJFHSA-N 407.963 5.323 0 40 HKAB COc1ccc(Cl)c2sc(N(Cc3ccccn3)C(=O)C3CCCC3)nc12 22855246 NQTOBZWKMIBMLV-UHFFFAOYSA-N 401.919 5.077 0 40 HKAB COc1ccc2c(CNc3cc(C(F)(F)F)ccc3N3CCCC3)cc(=O)oc2c1 24978758 FTRCXSMEQBBMLQ-UHFFFAOYSA-N 418.415 5.033 0 40 HKAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@@H](c4ccccc4)C4CC4)cc3)o2)c1 30983505 KMMUIWOGYUOFJT-QHCPKHFHSA-N 409.489 5.593 0 40 HKAB O=c1cc(-c2ccc(F)cc2)nc2n(Cc3ccc(Cl)cc3)c3ccccc3n12 40484790 QWWIYZGYMPJRJH-UHFFFAOYSA-N 403.844 5.157 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2OC3(C)C)cc1OC 40486327 JFBGKDMFPHZKFE-MRXNPFEDSA-N 407.297 5.290 0 40 HKAB O=C(O)c1c(O)c(C2(c3ccc(Cl)cc3)CC2)nc2c(C(F)(F)F)cccc12 43197607 RACDNEQBIMTJPQ-UHFFFAOYSA-N 407.775 5.391 0 40 HKAB CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](CC(C)C)c3nc4ccccc4[nH]3)o2)cc1 49581187 LDWCYUGRIMGPDR-NRFANRHFSA-N 415.493 5.543 0 40 HKAB C[C@]1(N2CCCCC2)C(=O)c2cc(Br)ccc2O[C@@H]1c1ccccc1 55125052 SOUITRDHKQNZDX-RTWAWAEBSA-N 400.316 5.010 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4ccc5nsnc5c4)c3)nc2c1 57312919 YZWLCYOLKSJAJX-UHFFFAOYSA-N 414.490 5.677 0 40 HKAB O=C(Nc1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1 58867195 YCBTTZLXQGQGQL-UHFFFAOYSA-N 408.457 5.984 0 40 HKAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)cc1 60033216 NNSPWPRQXZWFBM-IFZYUDKTSA-N 424.953 5.515 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 103718099 XJLYUHVTNUNASG-JTQLQIEISA-N 417.214 5.004 0 40 HKAB O=C(N[C@@H]1CCOc2ccccc21)[C@H]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 108169367 DCLIFWJAXIUTGS-SOLBZPMBSA-N 409.917 5.130 0 40 HKAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(N3CCC(C)CC3)cc2)cc1 141537358 QZNUGIOATPZSFA-VWLOTQADSA-N 406.570 5.689 0 40 HKAB CC(C)[C@@H](CC(=O)Nc1nnc(-c2ccccc2F)s1)c1c[nH]c2ccccc12 141586193 BJXQHWUCBGZXFS-MRXNPFEDSA-N 408.502 5.594 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1Cc1ccccc1 223393870 WYOYRGLLIUKOBD-ZEQRLZLVSA-N 410.546 5.045 0 40 HKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 223779487 IKBRSRRYNJNNGX-GOTSBHOMSA-N 418.566 5.184 0 40 HKAB O[C@@H]([C@@H](Sc1ccccc1)c1ccc(Sc2ccccc2)cc1)N1CCOCC1 223813169 KMKCVRICODKOIS-ZEQRLZLVSA-N 423.603 5.322 0 40 HKAB CC(C)c1ccccc1OCCNC(=O)CSCc1ccc(Cl)cc1Cl 223827455 OFTVGUHRVPSYCH-UHFFFAOYSA-N 412.382 5.545 0 40 HKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)Nc1ccccc1C(C)C 223935451 VEKJYJOKDWTIAF-JCMHNJIXSA-N 404.535 5.590 0 40 HKAB Fc1ccc(C2(CNC(=S)Nc3ncc(Cl)cc3Cl)CCCCC2)cc1 224004958 HVOCMOCJOKIKCB-UHFFFAOYSA-N 412.361 5.716 0 40 HKAB COc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccccc1C(C)C 224227993 IFJVZUXYAWITSW-UHFFFAOYSA-N 403.522 6.267 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1cccc2ccccc12 224300138 YCBFSRNBRDIXGK-UHFFFAOYSA-N 411.501 6.297 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccccc1 224368191 AZTNMCATRHVNTC-FQEVSTJZSA-N 403.522 5.415 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(COc3ccccc3C)c2)cc1 224378261 GQALLUBOTHXXOR-UHFFFAOYSA-N 417.549 6.568 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccccc1C(C)(C)C 224509541 GHYHQYAVGLNHKG-UHFFFAOYSA-N 421.512 6.353 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1cc(C)cc(C)c1 224529903 CBGZUTBAFTZIJZ-UHFFFAOYSA-N 419.521 5.220 0 40 HKAB C[C@H](CNC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 224542930 IEXZGCYDDNOYMK-MRXNPFEDSA-N 405.369 5.125 0 40 HKAB CCCCc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1 224927882 ZTUUZINLVRQZSI-UHFFFAOYSA-N 414.480 6.743 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCN3CCCC[C@@H]3C)cc2)CCCCC1 225657159 AVHIXTJSEXEUJC-FQEVSTJZSA-N 402.579 5.008 0 40 HKAB Cc1cccc([C@H](NC(=S)Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1 225700514 HRIHSLJGXRUHFA-XMMPIXPASA-N 415.562 5.198 0 40 HKAB CN(C)Cc1cccc([C@H]2CCCN2Cc2ccccc2OCc2cccc(F)c2)n1 257223494 DXPFRUKIJGJKHM-RUZDIDTESA-N 419.544 5.198 0 40 HKAB Nc1ccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2)cc1 408671311 KJDCWYYHVVEISI-UHFFFAOYSA-N 423.472 5.566 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2cc(C)ccc2C)c1 408697045 GMEACHIORHIROX-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3C)n2)c1 408698350 MRNNGZQDLCWVHH-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 408699774 WELICAKEYITBTG-UHFFFAOYSA-N 410.811 5.118 0 40 HKAB Cc1ccc(Cl)cc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1 409112879 DNOKSRHLYWXPNE-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1CC1CCCCC1 409140894 FNBWFIGKGGRIRQ-PXLXIMEGSA-N 407.535 5.882 0 40 HKAB Cc1ccc(OCc2ccccc2)c(-c2ccc(C(=O)O)c(CCc3ccccc3)n2)c1 585265174 IBLSEEWMBCNCMO-UHFFFAOYSA-N 423.512 6.119 0 40 HKAB CC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc12 645712 ZXALBIGVBSYIGH-UHFFFAOYSA-N 405.903 5.323 0 40 HKAB C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1cccc(Cl)c1 976194 KMMIOUSPHBSVQP-CQSZACIVSA-N 424.913 5.300 0 40 HKAB COc1ccccc1C(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1 1061599 IMPXWARSHFVEAO-UHFFFAOYSA-N 406.532 5.850 0 40 HKAB CC(=O)Nc1ccc(SC(Sc2ccc(NC(C)=O)cc2)c2ccccc2)cc1 1703099 QXERZFWEORAAKI-UHFFFAOYSA-N 422.575 6.187 0 40 HKAB CC(C)Oc1ccc(-c2nc(Oc3ccc(C(C)(C)C)cc3)c3ccccc3n2)cc1 2201946 YPLHDOQCQADBQQ-UHFFFAOYSA-N 412.533 7.174 0 40 HKAB CCC[C@H]1Cc2c(sc3nc(SCc4ccc5ccccc5c4)nc(N)c23)CO1 2210438 OJLZOMCNICNBBA-KRWDZBQOSA-N 421.591 5.960 0 40 HKAB CCOC(=O)c1c(CSc2ccccc2)oc2cc(Br)c(O)cc12 2361535 YUJYDACLKNUOQO-UHFFFAOYSA-N 407.285 5.370 0 40 HKAB CC(C)(C)OC(=O)NCCCCCc1nnc(SCc2ccccc2Cl)o1 2367551 JSIACIXAHABAGB-UHFFFAOYSA-N 411.955 5.253 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 2663613 MBCLHOUEJWGRGJ-CXUHLZMHSA-N 418.562 6.518 0 40 HKAB Fc1ccc(-c2nnc(Oc3ccc(Oc4ccccc4)cc3)c3ccccc23)cc1 3214839 UMFHPUUWRXJTEX-UHFFFAOYSA-N 408.432 7.021 0 40 HKAB CCN(c1ccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)cc1)C(C)C 3242059 AWUHZWZNPQDPLY-UHFFFAOYSA-N 420.003 5.915 0 40 HKAB COc1ccc(-c2cc(C(=O)OCc3c(F)cccc3Cl)c3ccccc3n2)cc1 3317704 LAJHNMZWLYZCIU-UHFFFAOYSA-N 421.855 6.060 0 40 HKAB CCCCO[C@@H]1C[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)N(C)O1 4002187 RPCZNVKVMRSVEY-UGKGYDQZSA-N 405.922 5.379 0 40 HKAB COc1ccc(NC(=O)CSc2cn(Cc3ccccc3C)c3ccccc23)cc1 4059700 CXPCKLVGFJWANM-UHFFFAOYSA-N 416.546 5.737 0 40 HKAB CC[C@@H](C)Sc1nc2c([nH]c3ccccc32)c(=O)n1-c1cccc(C(F)(F)F)c1 4106633 LQESXRGWKIFHLM-GFCCVEGCSA-N 417.456 5.776 0 40 HKAB O=C(CCC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1ccc(Oc2ccccc2)cc1 4599111 PFNLQAOPLYPCLI-UHFFFAOYSA-N 418.537 5.283 0 40 HKAB Cc1ccc(-n2nc(-c3ccccc3)c3cnc4c(F)cc(F)cc4c32)cc1Cl 4970197 CWUHUTJFAUJTOY-UHFFFAOYSA-N 405.835 6.481 0 40 HKAB CCN(CC)CCN(C(=O)c1ccc(OC(C)C)cc1)c1nc2ccccc2s1 5239802 FPHJPNWFRUIGNF-UHFFFAOYSA-N 411.571 5.072 0 40 HKAB Clc1ccc(-c2csc3ncnc(SCc4nc5ccccc5[nH]4)c23)cc1 6414346 FNVHPYCCJKFDPJ-UHFFFAOYSA-N 408.939 6.180 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 6586430 AJCOJNIDPWQPOB-MZMPZRCHSA-N 401.330 5.083 0 40 HKAB CCc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)cc1 7544273 QFFJOOWCQUTFHO-JOCHJYFZSA-N 409.533 5.476 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cc2)c1 7882063 IACGQHQLUNKTQD-PZJWPPBQSA-N 414.505 5.336 0 40 HKAB Cc1ccc(Nc2nnc(SCC(=O)N(C)[C@H](C)c3ccccc3)s2)cc1C 8025907 MRZZHCZBZSYFRP-MRXNPFEDSA-N 412.584 5.210 0 40 HKAB O=C(Nc1cccc2cccnc12)c1cc(-c2ccccc2)c(N2CCOCC2)s1 8156221 DMXILSMWVXPOCM-UHFFFAOYSA-N 415.518 5.052 0 40 HKAB C[C@@H](NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc(-c2ccccc2)cc1 8316426 SNFZMSLYGBDXSI-MRXNPFEDSA-N 403.507 5.275 0 40 HKAB N=C1NC(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)S1 8383616 KNNGEZKQDGOYHB-AUWJEWJLSA-N 413.713 5.364 0 40 HKAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Br)cc1 9274872 JQJAEQSKLBLHOU-UHFFFAOYSA-N 413.058 5.058 0 40 HKAB Fc1ccc([C@H]2C[C@@H](c3cccc(Br)c3)n3c(nc4ccccc43)N2)cc1 9291378 QSULNCBFCZISDR-CTNGQTDRSA-N 422.301 6.084 0 40 HKAB Brc1ccc(C2=Nc3ccccc3S[C@H]2c2nc3ccccc3[nH]2)cc1 9546483 ZYWQQMRIMUXCKZ-HXUWFJFHSA-N 420.335 6.293 0 40 HKAB Cc1cccc(CSc2ccc(-c3sc(-c4ccc(F)cc4)nc3C)nn2)c1 9578123 RFYCRNNUOCOMKZ-UHFFFAOYSA-N 407.539 6.315 0 40 HKAB O=C(C(c1ccccc1)c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 11999823 IDTALWZBLWGVCC-UHFFFAOYSA-N 412.558 5.834 0 40 HKAB COc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)cc1OCc1cccnc1 12523269 PNZMTUQUVQIWOH-HSZRJFAPSA-N 424.928 5.450 0 40 HKAB O=C(NCc1ccc(Cn2cccn2)cc1)[C@H](Sc1ccccc1)c1ccccc1 12626169 VPWYMEAMCJVEMD-XMMPIXPASA-N 413.546 5.081 0 40 HKAB O=C(CCN1CC=C(c2ccc(O)cc2)CC1)Nc1ccccc1Oc1ccccc1 12756183 ZZAHZGJYRHTIDC-UHFFFAOYSA-N 414.505 5.302 0 40 HKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 13684620 WMZBWEITVKUUNN-GOSISDBHSA-N 402.494 5.046 0 40 HKAB O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 13720872 UFZFXSALWMOSTH-HSZRJFAPSA-N 412.880 5.275 0 40 HKAB Clc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 13777003 QNIRSIRURLBZAG-WMZHIEFXSA-N 404.853 5.311 0 40 HKAB O=C(c1ccccc1OCc1ccc(Cl)cc1Cl)N1CCc2ccccc2C1 14129716 OLGFQDANEPYGFS-UHFFFAOYSA-N 412.316 5.771 0 40 HKAB COc1ccc(C2=Nc3c(-c4ccc(OC)cc4)c(C)nn3[C@@H](c3cccnc3)C2)cc1 14607606 OPZSVBSQEXBNMB-XMMPIXPASA-N 424.504 5.385 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)c(Cl)c1 14861281 CGEFTZVLHUIUOL-UHFFFAOYSA-N 408.910 6.334 0 40 HKAB COc1ccc(-c2nc(C)c(CCNC(=O)c3cccc(C(F)(F)F)c3)s2)cc1 16992134 QEKIMDTUNPWPBU-UHFFFAOYSA-N 420.456 5.118 0 40 HKAB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc2ccccc2c1 17088110 CIPUHVLGDNIWLS-UHFFFAOYSA-N 408.832 5.639 0 40 HKAB CC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1 17113707 BIKGGVPWWMXSEL-UHFFFAOYSA-N 417.892 6.489 0 40 HKAB biogenic CCCCn1nc(NC(=O)c2ccc(C(C)(C)C)cc2)c2cc3ccc(C)cc3nc21 17208158 YFVFULCSBXVBAR-UHFFFAOYSA-N 414.553 6.243 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 20040758 SVBZRGKOFCDGRW-IBGZPJMESA-N 405.563 6.177 0 40 HKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 20145390 WVVJIYLESXWQJI-JLHYYAGUSA-N 417.436 5.798 0 40 HKAB CC(=O)Nc1ccc(/C=C2\C=C([C@H](O)c3ccc(NC(C)=O)cc3)c3ccccc32)cc1 38142978 VWJRNRDWCVUIOR-AGCWBBONSA-N 424.500 5.275 0 40 HKAB CC(C)(C)OC(=O)N[C@H](Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1)C(=O)O 44298454 RQGUFBVEYXNPHQ-QGZVFWFLSA-N 410.297 5.181 0 40 HKAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@@H](c3ccc(C(C)C)cc3)N1CC2 57731868 NWQZVYPITFSCOZ-RRPNLBNLSA-N 414.549 5.899 0 40 HKAB COc1ccc(/C=C2\OC(=O)c3c(-c4ccccc4)ccc(-c4ccccc4)c32)cc1 59501019 KDNZSVUSKRZWEE-BWAHOGKJSA-N 404.465 6.698 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCCc2cc(F)c(F)cc21 65498222 CUCFCHZWFNEFEC-UHFFFAOYSA-N 406.791 5.314 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2Cl)cc1 67297665 JETSEIPHAQPUFO-VYIQYICTSA-N 422.843 5.719 0 40 HKAB Cc1nc2cc(C(=O)N3CCC[C@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc2[nH]1 72356469 LNERHIHKPYUZQL-IBGZPJMESA-N 414.484 5.092 0 40 HKAB COc1c2c(c(OC)c3c(-c4ccccc4)ccc(-c4ccccc4)c13)[C@@H]1C=C[C@@H]2CC1 101050010 ODOGARMFEMCUBA-FGZHOGPDSA-N 418.536 7.722 0 40 HKAB CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(C)c(C)c4)c(C)s3)C(=O)[C@@H]21 102209094 SOLLMDNHUHVKOG-JYBIWHBTSA-N 406.551 5.217 0 40 HKAB COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)c(OC)c1 102713139 PYCNAANVFQJVJM-DEOSSOPVSA-N 420.509 5.516 0 40 HKAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1ccccc1Cl)[C@@H]2O 118916162 YMHMUKZSUKEOTI-BMWUNZAPSA-N 415.017 6.098 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 218930501 KUAIKHVEXYKKTG-UHFFFAOYSA-N 417.593 6.469 0 40 HKAB c1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2c1ccc1c2[nH]c2ccccc21 220047676 HCNXREJDIWTVGO-UHFFFAOYSA-N 405.500 7.665 0 40 HKAB O=C(NCc1cccc(C(F)(F)F)c1)c1cccc(OCc2ccccc2Cl)c1 223285134 LQJWHXJGOCTTAT-UHFFFAOYSA-N 419.830 5.868 0 40 HKAB CC1(C)CCc2cc(S(=O)(=O)Nc3ccc(OCc4ccccc4)cc3)ccc2O1 223661143 BWTRVUDWFRUMAJ-UHFFFAOYSA-N 423.534 5.170 0 40 HKAB S=C(NCCSc1ccc(Cl)cc1)Nc1ccc(OC2CCCC2)cc1 225288927 SBOJWMKGZZGXCV-UHFFFAOYSA-N 407.004 5.740 0 40 HKAB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1 225349802 VSQLWFGURLXKFR-XZOQPEGZSA-N 420.582 5.428 0 40 HKAB COC(=O)c1ccc(C)c(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)c1 225856494 IGBIYZAQBOWWIG-UHFFFAOYSA-N 410.583 5.322 0 40 HKAB CC1=C2C[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@@H]1[C@H]2C 252162825 QASFUMOKHFSJGL-MHRNSSLYSA-N 411.630 5.002 0 40 HKAB biogenic,in-vitro COc1ccccc1NC(=O)COc1ccc(CNc2ccc(C)cc2)cc1Cl 408557141 NAUWIYGRLBFWDD-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB COc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccccc1F 408613958 WXKRCFZJVWDJOJ-UHFFFAOYSA-N 415.848 5.377 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(F)cc2)c1 408698474 PZCHMEIMXXOMGC-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1ccc(C)c(NCc2c(OCc3cccc(Cl)c3)ccc3ccccc23)c1 409122580 ZVAPXZHPRRWPKS-UHFFFAOYSA-N 401.937 7.301 0 40 HKAB CCOc1ccc(Nc2nccc(-c3cc4c(cc3C)[C@H](C)CC(C)(C)N4)n2)cc1 575473276 QAUVKERYTKFJOP-QGZVFWFLSA-N 402.542 6.292 0 40 HKAB CC(C)CC(=O)N1CCCCCCCN(C(=O)c2ccc(F)cc2)Cc2ccccc21 643589683 ZGQFZTFIXASVCM-UHFFFAOYSA-N 424.560 5.811 0 40 HKAB O=Cc1nc(Br)c(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)[nH]1 1857794846 NEVAEYUMNFBXNT-UHFFFAOYSA-N 403.279 5.986 0 40 HKAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)ccc1Cl 679328 IRNNFZWJRKUOIZ-UHFFFAOYSA-N 410.109 5.133 0 40 HKAB Cc1cccc(C)c1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 919393 XXPGPINSPMUFBX-CZUORRHYSA-N 404.392 5.006 0 40 HKAB CC[C@@H](C)c1ccccc1OC(=O)c1ccc(OC)c(I)c1 936067 FLZSXOKWGZIUAY-GFCCVEGCSA-N 410.251 5.033 0 40 HKAB COc1ccc2c(-c3ccccc3)cc(Sc3nnnn3-c3ccccc3)nc2c1 1514815 ZXDXJSNBKGYYPP-UHFFFAOYSA-N 411.490 5.037 0 40 HKAB biogenic CCN(CC)CC[C@H](CNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1 1700326 DSMFZNJRJXGJSS-GOSISDBHSA-N 416.396 6.469 0 40 HKAB O=C1S/C(=C\c2ccc(Br)cc2)C(=O)N1Cc1cccc2ccccc12 2060281 WTVGTYOFHXIDLI-UNOMPAQXSA-N 424.319 5.839 0 40 HKAB CC[C@H](OC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)C(=O)c1ccccc1 2079109 JCQOZLMFXAJHFF-VWLOTQADSA-N 409.485 6.029 0 40 HKAB CCCCCSc1nnc2c(n1)O[C@H](c1ccc(Cl)cc1)Nc1ccccc1-2 2083688 OLIROCKGWMYSEO-LJQANCHMSA-N 412.946 5.977 0 40 HKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)OC3 2183488 DPZLHCZGGIUZDJ-UHFFFAOYSA-N 414.596 5.499 0 40 HKAB CCCSc1nnc2c3c(nc(SCC)n12)-c1ccccc1CC31CCCC1 2265145 YEHHSABYYXWREY-UHFFFAOYSA-N 410.612 5.773 0 40 HKAB CCc1ccccc1Nc1nc(Nc2ccccc2CC)nc(N2CCC(C)CC2)n1 2302675 DTGABDBYDYCBQG-UHFFFAOYSA-N 416.573 5.720 0 40 HKAB Cc1cccc(Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2C(=O)O)c1C 2317086 GQQYNEONBKCSAB-UHFFFAOYSA-N 407.310 5.057 0 40 HKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccc(C)c1 4554785 TUHIZTQOWRWHPM-UHFFFAOYSA-N 400.478 6.188 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(c1ccccc1)c1ccccc1 4691219 RQSROQOVKDJQSD-HNNXBMFYSA-N 400.305 5.667 0 40 HKAB O=C(Nc1cccc(Cl)c1)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1 4883054 FRJNEHLBVLTPBU-SEJPIABJSA-N 401.913 5.186 0 40 HKAB COc1ccccc1[C@]1(O)C[C@@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@H]1C 5025075 VXHVUKKYMOSWJM-HQGVHHEMSA-N 401.550 5.612 0 40 HKAB CCCCCCn1c(S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)nc2ccccc21 5266372 ANPCETPUHQADOK-GOSISDBHSA-N 423.582 5.939 0 40 HKAB COC(=O)c1cc(-c2c(C(F)(F)F)oc3c(C)c(OC)ccc3c2=S)c(C)o1 5532522 VXYVCYQZHDXUNY-UHFFFAOYSA-N 412.385 5.853 0 40 HKAB COc1cccc(-c2nc(Oc3cccc(OC(C)C)c3)c3ccccc3n2)c1O 5561288 DZJRSYCZVBPCBR-UHFFFAOYSA-N 402.450 5.591 0 40 HKAB Cc1cccc(-c2cc(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)c1 5796295 DQJROTUCKQMOCR-HFESIUDZSA-N 424.588 6.545 0 40 HKAB CCOc1cc(OCC)cc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c1 5948438 GKPAFIRKHYAZAA-UHFFFAOYSA-N 417.465 5.248 0 40 HKAB CCSc1nc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)cc2s1 5953857 VEVXRCXMUPMTCV-GFCCVEGCSA-N 406.960 5.776 0 40 HKAB Cc1nc(S[C@@H](C)C(=O)NCc2ccco2)c2cc(-c3ccccc3)sc2n1 6114407 RKUVQQQZMWGRRQ-ZDUSSCGKSA-N 409.536 5.057 0 40 HKAB CCCCOc1cccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1 6273814 MPIHVUZGCHMIFV-UHFFFAOYSA-N 414.505 6.543 0 40 HKAB CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)cc1 6838354 JPYYJQATIPCTSW-UHFFFAOYSA-N 418.537 6.115 0 40 HKAB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NC12CC3CC(CC(C3)C1)C2 7141475 PMZDFGSXIXROHJ-DJCSNXPJSA-N 418.912 5.319 0 40 HKAB Cc1ccccc1COc1ccccc1C(=O)OCc1ccc(-c2ccccc2)cc1 7191689 CRWLJNXSIJDSRW-UHFFFAOYSA-N 408.497 6.598 0 40 HKAB O=C(Nc1cc2c(cc1Br)OCCO2)c1sccc1-c1ccccc1 9222167 JLXDRXYGEPVQEO-UHFFFAOYSA-N 416.296 5.201 0 40 HKAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc(Br)o1 10692279 HLKCSSKUMSPVFI-INIZCTEOSA-N 409.283 5.085 0 40 HKAB O=C(CSc1nnc(-c2ccccc2Cl)o1)c1ccc(Br)cc1 12177786 LOMJDJGLPUBCIN-UHFFFAOYSA-N 409.692 5.128 0 40 HKAB COc1ccc(Cl)cc1NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 12560774 OBMJFYIWHXFLMO-FLCJAFJVSA-N 409.957 6.134 0 40 HKAB Cc1cc(S[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc2ccccc12 12654425 SBQBTUCBWKLRKU-LBPRGKRZSA-N 424.875 6.335 0 40 HKAB Cc1nc(COc2ccc(C(=O)Nc3cccc(Br)c3)cc2)cs1 12797476 RXHJHXSTTKVFCI-UHFFFAOYSA-N 403.301 5.045 0 40 HKAB CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccccc4)n12)CC[C@@H](C)C3 13499766 IRNQVPQPHQTCTI-CYBMUJFWSA-N 422.579 5.001 0 40 HKAB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccccc1C 13842663 WSAZUVUTUDUPKY-UHFFFAOYSA-N 424.570 5.040 0 40 HKAB CN(Cc1ccc(Br)s1)C(=O)c1ccccc1C(=O)c1ccccc1 14302980 AGIPCMOZNYFDDW-UHFFFAOYSA-N 414.324 5.014 0 40 HKAB COC(=O)c1ccc(CSc2cc(C(F)(F)F)c3cc4c(cc3n2)OCO4)cc1 16194187 QHEDTJUASPXFIH-UHFFFAOYSA-N 421.396 5.061 0 40 HKAB O[C@@H](CNCc1c(OCc2ccccc2F)ccc2ccccc12)c1ccccc1 16477388 PVEYTMUOBPHCTR-VWLOTQADSA-N 401.481 5.381 0 40 HKAB COC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 16757854 KXDJQPNGZDWAAN-CQSZACIVSA-N 423.925 5.395 0 40 HKAB CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)c(C)c1 17089684 TTWNDJKSLFKZJH-UHFFFAOYSA-N 413.587 5.003 0 40 HKAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)C(c1ccccc1)c1ccccc1 20137076 SYCWCTGXTZXSEG-UHFFFAOYSA-N 417.892 5.863 0 40 HKAB Cc1cc(-n2nc(C)cc2C)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 21790511 YCMPPTHIKZGRIV-UHFFFAOYSA-N 405.811 5.179 0 40 HKAB C[C@@H](NC(=O)CN1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccccc1 24993529 DTOJMBZUCVYXGI-OAHLLOKOSA-N 413.974 5.007 0 40 HKAB COc1ccccc1-c1cc(CSc2nnc(Nc3cccc(F)c3)s2)on1 26270092 MAXKRVIDHLPYHZ-UHFFFAOYSA-N 414.487 5.377 0 40 HKAB Cc1ccccc1NC(=O)c1c(N)n(C(=O)c2ccc(Cl)cc2)c2ccccc12 28535204 IITQYRFCWOQLJM-UHFFFAOYSA-N 403.869 5.126 0 40 HKAB COc1ccc(CCNC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 29561447 VYNNSPQNNIDXLV-UHFFFAOYSA-N 418.518 5.101 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(F)cc4F)cc3)n2)cc1 32578466 KZLXKKHEVPKTIU-UHFFFAOYSA-N 421.403 5.008 0 40 HKAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)cc3)N3CCCCCC3)no2)cc1 32622147 ZIJHPYPEKLCUEU-XMMPIXPASA-N 417.553 5.306 0 40 HKAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 32904197 XSLPVBAZSVKYCO-UHFFFAOYSA-N 424.504 5.677 0 40 HKAB C[C@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)NCCC1=CCCCC1 36394196 ZBKHELQRANFQDG-SFHVURJKSA-N 406.530 5.138 0 40 HKAB O=c1c2scc(-c3ccc(Br)cc3)c2ncn1Cc1cccc(F)c1 38653552 CEBHRCOKNVHGCA-UHFFFAOYSA-N 415.287 5.075 0 40 HKAB COc1ccc(CCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 38755067 SPBYLIZOOZXESN-UHFFFAOYSA-N 421.562 5.229 0 40 HKAB S=C(Nc1ccccc1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 40487519 KZBAMOIOGRXNBO-ORIBZPJRSA-N 423.585 6.680 0 40 HKAB Cc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3)no2)cc1Cl 46012012 PANMQKUBEJTONW-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H]2c2cccn2C)cc1Cl 57347704 DQANOALZNZNFCP-GMAHTHKFSA-N 423.944 5.204 0 40 HKAB O=c1c2ccccc2nc(SCCCOc2ccccc2Cl)n1-c1ccccc1 59109463 ZEZQANXFDFWHPE-UHFFFAOYSA-N 422.937 5.600 0 40 HKAB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccccc1CCc1ccccc1 60106291 UAURXPDTLYUXSM-UHFFFAOYSA-N 409.489 5.615 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(F)c(Cl)c3)oc12 67293565 CEUJSCRVNHXSLH-ROMGYVFFSA-N 423.831 5.114 0 40 HKAB C[C@H](CCN1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 72398595 PLPUHLFQJZSMBX-SFLYRZDNSA-N 407.602 5.191 0 40 HKAB Clc1ccc2nc(Nc3nccc(-c4ccccc4)n3)nc(-c3ccccc3)c2c1 72467818 RWIJSSNRUAHEFA-UHFFFAOYSA-N 409.880 6.151 0 40 HKAB Cc1ccc([C@@H]2C=C(Nc3ccc(C(C)C)cc3)C(=O)N2c2ccc(C(C)C)cc2)cc1 103768064 ZMQOGHLJIGPYPK-NDEPHWFRSA-N 424.588 7.326 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 106733791 SDSZJARSKWQJGO-XTBHVRTMSA-N 419.905 5.893 0 40 HKAB CCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1 106975296 ANJWGYKJJZXMSL-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB C=C1CC[C@H](O)C/C1=C/[C@H]1O[C@@]12CCC[C@]1(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]12 146487072 WMYIIZNCOZEFKV-FIFMJTSSSA-N 400.647 6.830 0 40 HKAB in-vitro CC(C)c1ccc(OCC(=O)NCCCc2ccccc2Cl)c(Br)c1 218873858 ICGWKGFBISNBNC-UHFFFAOYSA-N 424.766 5.354 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCCc2ccccc21 219391933 DTGGWQZUVVNJJS-OAQYLSRUSA-N 402.991 5.170 0 40 HKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2ccccc2)c1C 222899759 BWSBJSUPSPTQSG-PKTZIBPZSA-N 404.583 5.180 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1C1CCCCC1 223106341 DYFHKGPZHBQMHA-DHIUTWEWSA-N 402.567 5.178 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C(C)C 223319906 PJGKSKZVKDCXDT-MSOLQXFVSA-N 417.977 6.042 0 40 HKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 224352410 OSUZWXGZWWCQNF-DQEYMECFSA-N 424.573 5.612 0 40 HKAB C[C@H](NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1 224929052 WZNZVBNPSSZPSG-HNNXBMFYSA-N 420.871 6.292 0 40 HKAB Cc1ccc(C)c(C(=O)Nc2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 225054721 SPKNNAYHKMRHBN-UHFFFAOYSA-N 424.378 6.006 0 40 HKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225615698 VZXIILSYMUSDTQ-UHFFFAOYSA-N 418.622 5.357 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2cccnc12 225863128 UFRJQLUCVJNPHS-UHFFFAOYSA-N 408.929 6.128 0 40 HKAB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)C1(c2ccccc2)CCCC1 225869179 ICQXXOFWURWZIS-UHFFFAOYSA-N 403.497 5.533 0 40 HKAB COc1ccc(/C=C2\C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 257345106 MDGYGSZQYJUTBN-ULCXLOCNSA-N 408.582 5.373 0 40 HKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCc3ccc(F)cc3)n2)cc1OC 408548169 QDBXNJVVUWAEQP-UHFFFAOYSA-N 424.419 5.611 0 40 HKAB O=C(O)c1cccc(NCc2cc(Cl)ccc2OCc2cccc(Cl)c2)c1 408603576 BSTGGXSEXFJFRD-UHFFFAOYSA-N 402.277 5.883 0 40 HKAB Cc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 408699869 WQKOJFRCWZCHMK-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl 408700957 OYSHDEAHCSIAOK-UHFFFAOYSA-N 408.734 5.580 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 408705784 NKYSPRPDRYTSFH-LBPRGKRZSA-N 418.773 5.464 0 40 HKAB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccc(Br)cc1 408731970 NRBVVUINNKJRGN-UKTHLTGXSA-N 418.699 5.662 0 40 HKAB Cc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 408773291 USRYZNJMOALLBY-XMMPIXPASA-N 402.519 5.022 0 40 HKAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1 408915203 YMOQFSSSKRVPNT-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc(CN2C(=O)S/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C2=O)cc1 408959652 CPCJMIHIVOAJEG-JCMHNJIXSA-N 417.534 5.088 0 40 HKAB CCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)c2ccccc21 409112568 DZCDGWGLSVPKIF-PGMHBOJBSA-N 403.909 6.216 0 40 HKAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CCOc3cccc4ccccc34)c12 409198503 GTILBRDRPAIICS-UHFFFAOYSA-N 411.423 6.181 0 40 HKAB Cc1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@H](c2ccccc2)S3)cc1 409204094 AXNWVJGPVJHQOL-QHCPKHFHSA-N 412.518 5.265 0 40 HKAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 409354083 XUSKVYCGJLMTJR-VXLYETTFSA-N 410.882 5.049 0 40 HKAB CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H](C(=O)O)[C@H](CCc3ccccc3)O[C@H]21 585265133 WCQFNEAMPMPDEB-BPBCIEFSSA-N 410.510 5.036 0 40 HKAB Cc1nnc(-c2cccc3ccccc23)c2cn(-c3cccc(Br)c3)nc12 988022 GPQAMKRDGHYJDR-UHFFFAOYSA-N 415.294 5.707 0 40 HKAB Cc1cc(-c2ccc(F)cc2)nc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)nn12 994274 SEQVBSMDDNHHQK-UHFFFAOYSA-N 415.255 5.403 0 40 HKAB Cc1ccc2c(SCC(=O)NCc3cccs3)nc(-c3ccc(F)cc3)nc2c1 1367713 BWQUHNWNRHLOBP-UHFFFAOYSA-N 423.538 5.214 0 40 HKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCC3)cc12 1371607 BKHRERCIFRKLAT-UHFFFAOYSA-N 423.944 5.775 0 40 HKAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2F)cc1 1380187 LGUQQBHXTKSEIT-HSZRJFAPSA-N 420.484 5.174 0 40 HKAB Cc1cc(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)ccc1F 1889635 YIMWJUGPZGETHU-UHFFFAOYSA-N 403.478 6.431 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1cccc2ccccc12 2056957 VMJXVAATDHYLKG-UHFFFAOYSA-N 414.917 7.022 0 40 HKAB Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c2)c1 2069823 MXFGCOAAAPIEMU-HXUWFJFHSA-N 414.549 6.188 0 40 HKAB CC[C@@H](C)COC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 2387010 AMPFKJZIGKUGHT-CQSZACIVSA-N 422.916 5.071 0 40 HKAB COC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC[C@H](C(C)(C)C)C2 2752412 RNTUGXVLFGQVJL-LBPRGKRZSA-N 405.947 5.591 0 40 HKAB Cc1ccc(C)c(Cn2cc(SCC(=O)Nc3nccs3)c3ccccc32)c1 4059754 JFCJXZYIKMQQDD-UHFFFAOYSA-N 407.564 5.494 0 40 HKAB Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@@H](C)CC[C@@H]4C(C)C)cc3C2=O)cc1 4175046 CSOLZNRRMSQPLG-XTQVGHSUSA-N 419.521 5.413 0 40 HKAB biogenic O=C1S/C(=C/c2cc(Br)cc(Cl)c2O)C(=O)N1c1ccccc1 4509735 SFMGKYUQWOKJDC-NTUHNPAUSA-N 410.676 5.049 0 40 HKAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 4568532 DAIHNZNGLWFQCJ-BKUYFWCQSA-N 407.828 5.403 0 40 HKAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2cccc(F)c2)n2c(nc3ccccc32)N1 4731520 ARLONHGZSUPGRR-HSZRJFAPSA-N 412.468 5.411 0 40 HKAB CC(C)c1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1 5460481 PDPKECKHHQQXIH-UPVQGACJSA-N 401.941 6.959 0 40 HKAB O=C(COc1ccccc1Cl)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 5752503 GOCYSQMTPKSLKM-SFHVURJKSA-N 415.276 5.343 0 40 HKAB CCCCCCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1 5824875 ODOBPYWAYJFVSY-UHFFFAOYSA-N 415.493 5.422 0 40 HKAB biogenic Cc1ccc(-c2nnc([C@H](C)Sc3nnc(-c4cccs4)n3C3CC3)o2)cc1 7221538 KEELWVAWZPDEPG-ZDUSSCGKSA-N 409.540 5.553 0 40 HKAB C[C@H](c1ccccc1)n1c([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 7544656 HCXUXOIXTWRHDU-MJGOQNOKSA-N 415.924 5.820 0 40 HKAB O=C(NCc1ccc(Cl)cc1)c1c(O)nnc(-c2ccccc2)c1-c1ccccc1 8059578 XMCKJMDPRURZSS-UHFFFAOYSA-N 415.880 5.100 0 40 HKAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(NC(=O)c2cccs2)cc1 8189989 FHXMMVSMAVXZRU-UHFFFAOYSA-N 419.550 5.633 0 40 HKAB CCOc1cc(CNC2CCCCC2)cc(Cl)c1OCc1ccccc1Cl 8254106 PBPWOKASQLSEBM-UHFFFAOYSA-N 408.369 6.393 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(C)c1 8333641 MYLNPKJTVRAPNN-UHFFFAOYSA-N 401.915 5.858 0 40 HKAB O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1c(F)cccc1Cl 9232716 FTDORVMZNLFNOO-VIZOYTHASA-N 416.688 6.022 0 40 HKAB COC(=O)Nc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccccc1 9420050 HSWYAJQNUHTTGE-UHFFFAOYSA-N 422.293 5.548 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](Nc2cccc(N3CCCC3=O)c2)c2ccccc2)c1 9468887 XKZSBGXTVPPSNH-VWLOTQADSA-N 413.521 5.222 0 40 HKAB O=C(Cc1csc(NC(=O)Nc2ccccc2)n1)Nc1cc(Cl)cc(Cl)c1 9784628 ODPRZIUJUZCRCZ-UHFFFAOYSA-N 421.309 5.275 0 40 HKAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(OCc4ccccc4)cc3)sc2c1 12655654 KNEVHJGJSJTQJW-UHFFFAOYSA-N 417.490 5.086 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN[C@H](C)c4ccccc4C)[nH]c(=O)c23)cc1 12798004 QGXOHIROXSGYHI-MRXNPFEDSA-N 403.551 5.428 0 40 HKAB C/C=C(\C)[C@H](O)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1oc(OC)c(C)c(=O)c1C 13307925 PFVSUJLJFXJPMF-DNSWMBNWSA-N 400.559 5.610 0 40 HKAB biogenic,in-vitro O=C(NCCC1=CCCCC1)C1CCC(CNc2nc(=S)[nH]c3ccccc23)CC1 13496847 UJFAECHDVGOFDQ-UHFFFAOYSA-N 424.614 5.517 0 40 HKAB CCCn1c(-c2ccc(OC)c(Br)c2)cs/c1=N\c1ccccc1 13810125 MQEDSOKADXQQAQ-VZCXRCSSSA-N 403.345 5.630 0 40 HKAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2)o1 16039352 GQAIFZKRTCDEPV-SWLSCSKDSA-N 411.955 5.627 0 40 HKAB Clc1ccc(COc2ccc(Cl)cc2CNCc2ccc3c(c2)OCO3)cc1 16401819 RFEKWLKLFDZUCO-UHFFFAOYSA-N 416.304 5.591 0 40 HKAB CC[C@@H](C)c1ccc([C@@H](CC)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 17082310 ZSUHTMILDZBVAM-YBOAYWMSSA-N 401.978 6.505 0 40 HKAB CN(Cc1ccc(Cl)cc1)Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 20686691 MUFIVWCCXBIDOZ-UHFFFAOYSA-N 413.905 5.076 0 40 HKAB C[C@@H]1CCc2nc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)sc2C1 21799165 MLMDBEYQQYYXKD-RXMQYKEDSA-N 411.141 5.529 0 40 HKAB COc1ccc(-c2nnc(CN(C)[C@@H](c3ccccc3)c3ccc(F)cc3)o2)cc1 23238187 RQGMVAWQHAYDAE-QHCPKHFHSA-N 403.457 5.106 0 40 HKAB Cc1c(C)n(C[C@H](O)Cn2c(C(F)(F)F)nc3ccccc32)c2c(Cl)cccc12 28297129 MNAKGXLXOVFJJS-AWEZNQCLSA-N 421.850 5.341 0 40 HKAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)C1CCC(C(C)(C)C)CC1 32609822 XYBXAZRKOMJKHA-UHFFFAOYSA-N 419.516 5.606 0 40 HKAB CC(C)c1nc(SCC(=O)Nc2ccccc2-c2ccccc2)c2ccccc2n1 35291543 IQGKTUUDIXHWFX-UHFFFAOYSA-N 413.546 6.151 0 40 HKAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc(-c3ccccc3F)o1)CC(O)=N2 36359562 URCCEBNRNGDRPK-ZDUSSCGKSA-N 423.835 5.147 0 40 HKAB Cc1ccc(C(=O)[C@H]2CN(C)[C@H](c3cccs3)[C@@H]2C(=O)c2ccc(C)cc2)cc1 36383310 XNDXEIYARWEMSV-MDNUFGMLSA-N 403.547 5.350 0 40 HKAB Cc1sc2c(c1-c1ccc(Cl)cc1Cl)c(=O)nc1n2C(=O)c2ccccc2-1 36611806 GNVHAHKQKSNDNQ-UHFFFAOYSA-N 413.285 5.409 0 40 HKAB Cc1c(Cl)cccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38849629 UTOYLJMPEWFPPA-UHFFFAOYSA-N 411.760 5.806 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccccc1I 57313496 IXUKHUXNBRWTJZ-ACCUITESSA-N 415.230 5.203 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1c(Cl)cccc1Cl 59960949 NUXQVKQMGNYWBC-UHFFFAOYSA-N 400.349 6.714 0 40 HKAB COc1cccc(Cn2c(SCc3ccccc3Cl)nc3ccccc3c2=O)c1 67258782 BQBZZEUWBJBXBJ-UHFFFAOYSA-N 422.937 5.399 0 40 HKAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)cc1Cl 67296623 TVIVQNWHDBWJHJ-RWEWTDSWSA-N 419.868 5.283 0 40 HKAB CCOc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)cc1 67297145 BFZYDXKVCFSASO-RQZHXJHFSA-N 412.489 5.933 0 40 HKAB O=C(Nc1ccc2c(c1)C(=O)NC2)c1ccc(CSc2ccc(Cl)cc2)cc1 70008151 VGILCTIAHIAJNU-UHFFFAOYSA-N 408.910 5.128 0 40 HKAB c1ccc([C@]23O[C@@](c4ccccc4)(c4ccccc42)[C@H]2[C@@H]4C[C@H](c5ccccc54)[C@@H]23)cc1 104105435 QYSQHRVUKYBKNG-QPOBTHIWSA-N 412.532 6.735 0 40 HKAB Clc1ccccc1COc1cccc(CNc2ccc(Br)cc2)c1 107027675 ZEFHAAMXFZHMPC-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB COc1cc(CNc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 107933065 YRRKAFACFXLQSZ-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB COc1ncccc1C(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1 206896465 ZQQQZGIYNRAKKW-UHFFFAOYSA-N 405.454 5.272 0 40 HKAB O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1Br 215064453 FNYJECYTKSLWPS-OQLLNIDSSA-N 408.704 5.339 0 40 HKAB CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OC 222661453 PLWZYKJNRRUCJQ-CCKFTAQKSA-N 417.962 5.122 0 40 HKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 222991750 YWBOISULVAHABY-AUJBFMOVSA-N 417.593 6.567 0 40 HKAB CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccc2O1 222993545 IDIZLLXLEWVGEU-PXNSSMCTSA-N 415.961 5.923 0 40 HKAB COc1ccc(OC)c([C@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)c1 223101025 SUBOHCLYOUHANN-LBPRGKRZSA-N 414.354 5.121 0 40 HKAB COc1ccc(/C=C(/C(=O)NCCOc2ccc(C)c(C)c2)c2ccccc2)cc1 223428572 OWCSLDUBQLTEHT-XIEYBQDHSA-N 401.506 5.048 0 40 HKAB c1ccc(-c2ccc(-c3n(-c4ccccc4)c4ccccc4[n+]3-c3ccccc3)cc2)cc1 223814146 RPJGQVJPMKJDQE-UHFFFAOYSA-N 423.539 7.241 0 40 HKAB COc1cccc(OCc2cc(C(=O)Nc3ccccc3SC)ccc2OC)c1 224258987 HMWLJFWJRWGDFK-UHFFFAOYSA-N 409.507 5.257 0 40 HKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 224416001 HWMHRAXXHTXWFH-XZOQPEGZSA-N 420.557 5.705 0 40 HKAB CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224942428 MDLVGYWLEMILIJ-UHFFFAOYSA-N 406.334 5.876 0 40 HKAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1Cl 225332749 FIEAKSVKQHCXTB-UHFFFAOYSA-N 400.689 5.395 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3csc(-c4ccncc4)n3)cc2)cc1 225336267 SXUZXCZEQSSHFR-UHFFFAOYSA-N 413.546 6.422 0 40 HKAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)c(C)c1 225476091 GKDVQSHYDOZIAB-IBGZPJMESA-N 406.620 6.643 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](CC(C)C)c2ccccc2)c1 225531342 NLWUQURNRYZWPN-QHKNXTSZSA-N 416.521 5.263 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(Br)cc1)CC(C)(C)O2 225681314 BSHIXXYNROCCOV-INIZCTEOSA-N 421.360 5.047 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c2ccccc12 225756620 WLIQVRYCDIOFIM-FQEVSTJZSA-N 401.550 6.858 0 40 HKAB COc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3Cl)o2)c(N)c1 226348754 CHGOLSYGJRWYMS-UHFFFAOYSA-N 421.678 5.206 0 40 HKAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257344631 ZYBUTBMVDJEYSL-JOCHJYFZSA-N 417.896 5.444 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3)nc2-c2ccc(F)cc2)cc1 408694717 MAPWJNSHPOWSMF-UHFFFAOYSA-N 416.456 5.033 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(C)c(C)c2)cc1 408697845 LTNMWWVQHWWXEE-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(F)cc2)cc1-c1ccc2ccccc2c1 408725493 QEYIYZOCQPPOND-UHFFFAOYSA-N 421.475 6.392 0 40 HKAB CCCc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccc(C)c(C)c1 408822490 AXUWVKQKCDRZAH-UHFFFAOYSA-N 419.377 6.939 0 40 HKAB CCc1ccccc1NCc1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 409114175 CZZVMCQAAKQFGU-UHFFFAOYSA-N 420.767 7.400 0 40 HKAB CC(C)N(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)C[C@@H](c1ccsc1)n1cccc1 524730280 DAWFPXPUEOSKDZ-WWNPGLIZSA-N 413.631 5.031 0 40 HKAB biogenic Cc1ccc(NC(=O)c2cccc([C@@H]3CCCN(C)C3)c2)cc1C(=O)c1ccccc1 1615058916 SKZNEUBUUAPZEC-HSZRJFAPSA-N 412.533 5.288 0 40 HKAB COc1ccc2nc(SCC(=O)Nc3ccccc3Br)c(C)cc2c1 881235 WYVIXEOBUODZDD-UHFFFAOYSA-N 417.328 5.045 0 40 HKAB COc1cccc(C(=O)N2c3cc(C)ccc3-c3c(ssc3=S)C2(C)C)c1 898796 TUHNCFRHNXFPOI-UHFFFAOYSA-N 413.589 6.419 0 40 HKAB Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2ccccn2)c2ccccc2F)c1C 935778 GCKAJAMSOVLXAJ-OAQYLSRUSA-N 421.497 5.946 0 40 HKAB CCc1ccc2oc(-c3cccc(NC(=O)c4cc5ccccc5cc4OC)c3)nc2c1 2056887 JXQWJVXZYRZWTA-UHFFFAOYSA-N 422.484 6.471 0 40 HKAB COC(=O)c1c(NC(=O)/C=C/c2c(F)cccc2Cl)sc2c1CCCCCC2 2081837 MIIKQDYFDXTNLQ-VAWYXSNFSA-N 421.921 5.638 0 40 HKAB Cc1c(-c2ccc(Br)cc2)nc2ccc(Br)cc2c1C(=O)O 2088429 GOSOFODSHMCFKZ-UHFFFAOYSA-N 421.088 5.433 0 40 HKAB CC(C)COc1ccc(C(=O)N/C(=C/c2ccccc2)C(=O)Nc2ccccc2)cc1 2250614 SLEQWRHBYZYLGF-JJIBRWJFSA-N 414.505 5.131 0 40 HKAB CCOc1ccc(NC(=O)[C@@H]2CC2(c2ccc(CC)cc2)c2ccc(CC)cc2)cc1 2308410 JKBGTPJESCYILY-SANMLTNESA-N 413.561 6.155 0 40 HKAB Cc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCC6)o2)cc1C 2790941 QQJFAGIVOBLGJS-UHFFFAOYSA-N 416.506 5.284 0 40 HKAB Cc1c(Sc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C(=O)c1ccco1 3166928 CRKFDZIDZRVLNV-UHFFFAOYSA-N 410.882 5.034 0 40 HKAB Cc1ccccc1-n1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCCCC2)c1=S 3259354 LRGLPJYBJHZCLJ-UHFFFAOYSA-N 420.626 6.120 0 40 HKAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)c1cccc(C(F)(F)F)c1 3273827 MGNPLHKCJLEZBZ-UHFFFAOYSA-N 403.385 5.212 0 40 HKAB COc1ccc(CN(C(=O)c2sc3ccccc3c2Cl)c2ccccc2)cc1 4129548 FLMMUCVWWLBWHN-UHFFFAOYSA-N 407.922 6.410 0 40 HKAB COc1ccc(-c2c(C)c3ccc(OC(=O)c4ccccc4OC)cc3oc2=O)cc1 4340033 DREQAFIAOUCDIB-UHFFFAOYSA-N 416.429 5.005 0 40 HKAB biogenic Cc1ccc2c(SCC(=O)NCC3CCCCC3)nc(-c3ccc(F)cc3)nc2c1 4895291 YTQHQUIZFRGRCB-UHFFFAOYSA-N 423.557 5.533 0 40 HKAB CCn1c(C)nc2cc(-c3[nH]nc(-c4ccccc4)c3-c3nc4ccccc4[nH]3)ccc21 5072700 MIOHZXVMBTYOHC-UHFFFAOYSA-N 418.504 5.965 0 40 HKAB Oc1ccccc1/C=C/c1cc(C(F)(F)F)n(-c2nc(-c3ccccc3)cs2)n1 5242852 NNVSHZMJSPROEF-ZHACJKMWSA-N 413.424 5.891 0 40 HKAB Cc1ccccc1-n1nnnc1C1(Nc2ccc(Br)cc2)CCCCC1 5390661 HLWNDXQBMZPZAZ-UHFFFAOYSA-N 412.335 5.005 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1Cl 5874045 WMMNJDNMYRLQDQ-UHFFFAOYSA-N 420.896 6.416 0 40 HKAB Cc1ccc(-c2cn3cc(-c4ccc(Br)cc4)n4c3c2CCCC4)cc1 6032789 VMWXTPSKLFLIEO-UHFFFAOYSA-N 405.339 6.482 0 40 HKAB NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1ccc(Cl)cc1Cl 6240475 LTNVEODZGGVXCG-JWGURIENSA-N 402.064 5.378 0 40 HKAB CCc1ccc(N2C(C(C)=O)=NN(c3ccc(C)cc3)[C@@H]2c2ccc(C)s2)cc1 6247153 MVRGSKFUPVJKNL-XMMPIXPASA-N 403.551 5.855 0 40 HKAB CCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)C1=O 6629506 FNDWLLYYZKDPLT-LPYMAVHISA-N 415.518 5.316 0 40 HKAB Cc1nc(SCc2nnc(-c3cccs3)o2)c2c3c(sc2n1)CCCC3 6928515 KMWCMIPFKKECEU-UHFFFAOYSA-N 400.554 5.282 0 40 HKAB Cn1c(-c2ccc(Cl)cc2)nn(CN(Cc2ccc(F)cc2)C2CC2)c1=S 8151370 RAZPZXLESRRJHE-UHFFFAOYSA-N 402.926 5.033 0 40 HKAB C[C@@H](NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccco1 8527273 ZNOQSTMQKPKTDY-MRXNPFEDSA-N 404.491 5.571 0 40 HKAB O=C(Nc1nnc(SCc2ccccc2F)s1)c1ccccc1C(F)(F)F 9600087 ADPQQAMRSRRRSM-UHFFFAOYSA-N 413.421 5.241 0 40 HKAB FC(F)(F)c1ccccc1-c1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1 10272145 ZMGSJHMWBPNNBY-UHFFFAOYSA-N 422.435 6.206 0 40 HKAB Cc1ccccc1CSCCNC(=O)c1ccccc1SCc1ccccc1 10365015 JTYLVCCPCCCXFG-UHFFFAOYSA-N 407.604 5.951 0 40 HKAB Cc1cc(C)c2nc(NC(=O)c3cc(-c4ccc5c(c4)C[C@@H](C)O5)on3)sc2c1 11914532 FMRYRUDFRUBURI-CYBMUJFWSA-N 405.479 5.144 0 40 HKAB Cc1nc(SCC(=O)N(C)Cc2ccco2)c2c(-c3cccs3)csc2n1 12816247 BXBMYLDUKGOWDM-UHFFFAOYSA-N 415.565 5.072 0 40 HKAB COc1ccc(-c2nc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)cs2)cc1 12910993 UBAQSBGHCDVGTI-UHFFFAOYSA-N 407.322 5.398 0 40 HKAB C[C@@H](NC(=O)CSCc1ccccc1Br)c1ccc(C(C)(C)C)cc1 13675057 UCNQJVMDPWQTBE-OAHLLOKOSA-N 420.416 5.857 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c(C)c1 15438795 ZBZCPXJCJIGYMG-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)cc2)c1 17082233 GRLUNTIJPBXTKO-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB CC(C)(C)CC(=O)N[C@H](C[C@H]1CCCCN1CCc1ccccc1)c1ccccn1 19082740 UEFCZRUOQRMROD-ISKFKSNPSA-N 407.602 5.162 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 20451922 WIJGJTBXCLNFNB-AHKZPQOWSA-N 409.529 6.211 0 40 HKAB CCCc1cc(=O)oc2c3c(ccc12)OCN(CCc1ccc(Cl)cc1Cl)C3 20609990 ISGUVRHSAVPRIV-UHFFFAOYSA-N 418.320 5.447 0 40 HKAB biogenic CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 20610507 IUVBZFSWWXTEMR-UHFFFAOYSA-N 400.482 5.195 0 40 HKAB Clc1ccc(Nc2nn3c(-c4ccccc4Br)nnc3s2)cc1 27027840 UTVMDLGTYQTRAK-UHFFFAOYSA-N 406.696 5.012 0 40 HKAB CCn1c(SCc2cccnc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 27812252 WASBHTTYXUVUTQ-UHFFFAOYSA-N 411.527 5.280 0 40 HKAB Cc1ccc(F)c(NC(=O)c2cccc(Cn3nc(C)c(Br)c3C)c2)c1 27970638 UKKPRPKNARUZMZ-UHFFFAOYSA-N 416.294 5.011 0 40 HKAB Cc1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1Cl 32116440 AMXPVEJAZJLADW-UHFFFAOYSA-N 419.500 5.131 0 40 HKAB Cc1cccc(OC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)c1C 32623444 IRDAGZGYPCDYRW-UHFFFAOYSA-N 402.878 5.397 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc(C)c(C)c2)sc2c1CCCC2 38771480 NUTAPOCPXHODQP-GOSISDBHSA-N 415.555 5.217 0 40 HKAB Cc1nn2c(ncc3c(=O)n(C4CCCCCC4)ccc32)c1-c1ccc(Cl)cc1 40397635 MRJLSFBJNOQEIP-UHFFFAOYSA-N 406.917 5.568 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2)c1 41303148 SOMCUZZUZLVNBX-KRWDZBQOSA-N 405.991 5.589 0 40 HKAB CCCCCn1nc(C(=O)N2CC[C@H](C)Sc3ccccc32)c2ccccc2c1=O 45574928 CGXHGEKLQGINTQ-KRWDZBQOSA-N 421.566 5.118 0 40 HKAB Cc1ccc2c(Nc3ccc(Cl)cc3C)c(C(=O)N3CCCCCC3)cnc2n1 49004790 MLZMTTXJLDMDLZ-UHFFFAOYSA-N 408.933 5.660 0 40 HKAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cccc2ccccc12 57317033 NQEOIDGJTQBRLX-UHFFFAOYSA-N 406.279 5.792 0 40 HKAB COc1ccc(NC(=O)[C@H](C)S[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 58006625 HCYXWFZXELREBJ-KSFYIVLOSA-N 411.954 6.198 0 40 HKAB COc1cc([C@@H](C)NC(=O)c2cc3ccccc3s2)ccc1OCc1ccncc1 59316207 PHTQBMFBBXAFMA-MRXNPFEDSA-N 418.518 5.375 0 40 HKAB O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1ccc(C(F)(F)F)cc1 67296343 QABMKCPWFLUTAB-MEFGMAGPSA-N 409.367 5.331 0 40 HKAB O=C(CC(=O)Nc1ccc(SC(F)F)cc1)Nc1ccc(SC(F)F)cc1 72193615 WEHYXTJPLXBGIO-UHFFFAOYSA-N 418.437 5.283 0 40 HKAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc(-c2ccc(C)cc2)no1 72277181 JUDSVFLBUAYWTP-VXKWHMMOSA-N 403.526 5.162 0 40 HKAB FC(F)(F)c1cnc(Oc2ccc(/N=c3/ssnc3Cl)cc2)c(Cl)c1 100327580 SZJOPWZYPFGVOD-FYJGNVAPSA-N 424.256 5.950 0 40 HKAB CCCN1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@@H]1c1cccs1 102863742 KXPFBRPOPPZJDL-SIBVEZHUSA-N 414.574 7.182 0 40 HKAB CN(Cc1csc(-c2ccccc2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 108339382 YXRUCWONYWOLHZ-MOPGFXCFSA-N 405.350 5.207 0 40 HKAB O=C(c1ccsc1)c1ccc(CNC(=O)C2(c3cccs3)CCCC2)s1 211084554 KIXYUXPLUCZLDC-UHFFFAOYSA-N 401.578 5.230 0 40 HKAB COc1cccc2cc(C(=O)N3CCS[C@@H](c4ccccc4Cl)CC3)oc12 211145984 DYHXCCWCDPTCSM-LJQANCHMSA-N 401.915 5.415 0 40 HKAB O=C1S/C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1Cc1ccccc1F 214341515 ZHBIBCKDBJPPND-HYARGMPZSA-N 419.477 5.641 0 40 HKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C(C)C 224396612 IZPYWDOFISICQL-FCHUYYIVSA-N 408.546 5.397 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1c1ccc(Cl)cc1 224453654 LNCLMVBRMVAPGT-IAGOWNOFSA-N 406.363 5.627 0 40 HKAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)NC1CCCCCCC1 224881869 HYZJCJGUPXNELB-UHFFFAOYSA-N 405.336 5.266 0 40 HKAB CCOc1ccccc1CCCNC(=S)Nc1ccc(Br)c(C)c1 225396107 DJHSHQVLMNWQHB-UHFFFAOYSA-N 407.377 5.075 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1)c1ccc(OC)c(C)c1 225433573 YOTICAJMPCNTMH-GBOLQPHISA-N 415.533 5.820 0 40 HKAB O=C(N[C@H]1CC2(CCCCC2)Oc2ccccc21)C1(c2ccccc2)CCOCC1 225440355 OBAUGNFSLHYZLL-QFIPXVFZSA-N 405.538 5.078 0 40 HKAB Cc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1N1CCCC1=O 225870260 NIJSSPXTCOMBKF-UHFFFAOYSA-N 421.610 5.354 0 40 HKAB Cc1scc(C(=O)N2CCCC[C@H]2c2nnc(-c3nccc4ccccc34)o2)c1C 257262826 LNBSMZTWBWYZRQ-IBGZPJMESA-N 418.522 5.331 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(C)c(C)c2)c1 408696265 YYYBCSAQGKNUHF-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2cccc(Cl)c2C)n1 408697833 KAAJDAHLGSEJRS-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 408708664 KGNMHOBZVNAKQI-UHFFFAOYSA-N 418.887 5.409 0 40 HKAB O=C(NCCSCc1ccccc1)/C(=C/c1ccccc1Cl)c1ccccc1 408921045 BUZBGNMZXPUMEX-OQKWZONESA-N 407.966 5.930 0 40 HKAB Cc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408972909 HOXKUGSTIOZUAX-VWLOTQADSA-N 416.546 5.064 0 40 HKAB CCCCOc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1OC 408991692 QXUFOKSNDNMMKQ-UHFFFAOYSA-N 412.555 5.910 0 40 HKAB COc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409379534 XLVALOGVXPEISN-UHFFFAOYSA-N 408.473 5.081 0 40 HKAB O=C(C1CC1)N1Cc2ccccc2NCc2ccccc2OC[C@@H]1Cc1ccccc1 643581945 IXDSJXFFZPBRSW-DEOSSOPVSA-N 412.533 5.041 0 40 HKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2ccc(F)cc2F)C1 1848357377 RUDONGPHVVWJOG-VWPQPMDRSA-N 423.887 5.122 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2c(C)cc(Br)cc2C)cc1Cl 679020 JOSFESZNBUHZJX-UHFFFAOYSA-N 411.752 5.155 0 40 HKAB COc1ccccc1CN(Cc1cc2cc(C)ccc2nc1Cl)C(=O)c1ccco1 1367698 YCGKYIZNADUNNF-UHFFFAOYSA-N 420.896 5.641 0 40 HKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCOc1ccccc1F 1760094 XXPJEMOJQIEYBJ-UHFFFAOYSA-N 408.860 5.325 0 40 HKAB CCCc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 1909326 FBZROPODNFMSMY-UHFFFAOYSA-N 407.897 5.541 0 40 HKAB CCCCOc1cccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)c1 2062628 GPSCRVUCZALRGI-UHFFFAOYSA-N 401.528 5.235 0 40 HKAB COC(=O)c1c(NC(=O)c2sc3cc(C)ccc3c2Cl)sc2c1CCC2 2082394 GEYWNSXUAPDBDU-UHFFFAOYSA-N 405.928 5.452 0 40 HKAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(Br)c1)CO3 2125976 ILISEOXBDMFBRJ-UHFFFAOYSA-N 414.299 5.173 0 40 HKAB biogenic CCCCCCc1c(C)c2cc3c(-c4ccc5ccccc5c4)coc3cc2oc1=O 2126335 QWGKDFGRRDAEGA-UHFFFAOYSA-N 410.513 7.791 0 40 HKAB biogenic CCOc1ccc(-n2c(-c3ccc(Cl)cc3Cl)nc3ccccc3c2=O)cc1 2268831 IORSHKAEKMBDNO-UHFFFAOYSA-N 411.288 5.758 0 40 HKAB Oc1ccc(Nc2nc(Cl)ncc2-c2cc(-c3ccccc3)nc(Cl)n2)cc1 2272799 VMDNPVXUKWKFDB-UHFFFAOYSA-N 410.264 5.357 0 40 HKAB CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCc1ccccc1-3 2296268 OEJPQVYQWWGXAG-UHFFFAOYSA-N 404.560 5.633 0 40 HKAB Cc1ccc(C(=O)C[C@H](Sc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 2388828 FSVCJRUFQZJXNU-QFIPXVFZSA-N 401.358 7.408 0 40 HKAB CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3cccc(C)c3)cc2oc1=O 2415119 XMHOIXFJTGZSCU-UHFFFAOYSA-N 414.885 5.138 0 40 HKAB COc1ccc(-c2c(-c3ccc(O)cc3)c3cc(Cl)cc(Cl)c3oc2=O)cc1 2573874 SMTJNERQRYYXCQ-UHFFFAOYSA-N 413.256 6.148 0 40 HKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccccc4C)ncnc32)cc1 2715257 FNGVHDOEUBJWPG-UHFFFAOYSA-N 420.516 6.538 0 40 HKAB CCCCN(CCCC)P1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 3173935 QWDIFTOQTXNZNL-UHFFFAOYSA-N 411.551 7.911 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccccc4)cc3)sc2c1 3376202 COCXFAWHIMMLGG-UHFFFAOYSA-N 402.475 5.067 0 40 HKAB CCOc1ccc(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CCCC3)cc1 4043850 OYPROWUXZIKVAF-UHFFFAOYSA-N 410.495 5.123 0 40 HKAB OC1=N[C@H](/C=C\c2ccccc2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 4521040 AGPRADGRDMXMEJ-GMGKOPGTSA-N 401.535 5.076 0 40 HKAB CC(C)C1=CC2=CC[C@@H]3[C@](C)(COC(=O)CSC(C)(C)C)CCC[C@]3(C)[C@@H]2CC1 4804333 XFHWWPKUODMDOZ-ULDOEVFSSA-N 418.687 7.197 0 40 HKAB COc1ccccc1Oc1c(-c2ccc(OCc3ccccc3C)cc2O)n[nH]c1C 5164064 IBBWDJWZWHBYRR-UHFFFAOYSA-N 416.477 5.779 0 40 HKAB CC(C)(C)c1ccc(Cn2c(CCCNC(=O)c3ccco3)nc3ccccc32)cc1 5235816 ZSNOMDHFEYNOBU-UHFFFAOYSA-N 415.537 5.338 0 40 HKAB COc1ccc([C@@H](CCNCc2ccc(OC)c(OC)c2)c2ccc(F)cc2)cc1 5477705 DMVZUYVZIZNHHB-QHCPKHFHSA-N 409.501 5.163 0 40 HKAB CCCCCCc1cc2c3c(c(=O)oc2cc1OC/C=C/c1ccccc1)CCCC3 5548401 GYPWINKVUAIYJU-SDNWHVSQSA-N 416.561 6.887 0 40 HKAB CC(=O)[C@H](C)Sc1c(Cc2ccccc2)c(C)nc2c(-c3ccccc3)c(C)nn12 5576875 OJYGTIPYEKHMDU-IBGZPJMESA-N 415.562 5.674 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc(C)c3)c3ccccc3n2)cc1 5889340 JUDMUUXYPIZNHW-UHFFFAOYSA-N 410.473 5.314 0 40 HKAB CC(C)(C)c1ccc(C2=Nc3c(ccc4ccccc34)C(c3cccnc3)=NN2)cc1 6075427 QSCPFIYLDHULIV-UHFFFAOYSA-N 404.517 5.966 0 40 HKAB C#CCn1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 6295447 JBEZJQIIOHITIX-UDWIEESQSA-N 406.894 5.164 0 40 HKAB CC(C)(C)C1CCC(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 6305955 BXLUBELOIFQPBE-UHFFFAOYSA-N 419.871 5.693 0 40 HKAB Cc1cc(OCC(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)ccc1Cl 6420634 ZILCBHVQKRAJSK-QFIPXVFZSA-N 419.912 5.004 0 40 HKAB O=C1c2ccccc2C(=O)N1CCCCCC(=O)N(c1ccccc1)c1ccccc1 6495971 ZIZQZHLUKPGGKL-UHFFFAOYSA-N 412.489 5.208 0 40 HKAB Cc1ccc(CN(Cc2ccco2)C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)o1 6747402 OFADZFQRRIIRQY-QGZVFWFLSA-N 401.890 5.448 0 40 HKAB CCc1nnc(S/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)O)o1 7342664 SPYWELDTXUEEPB-BOPFTXTBSA-N 416.886 5.082 0 40 HKAB Cc1ccc2c(c1)N(C(=O)c1cccc(Cl)c1)C(C)(C)C[C@@]2(C)c1ccccc1 8559639 YGJMVOYKAFNDKV-SANMLTNESA-N 403.953 6.784 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 8833691 OPGCDBFCJHJOSV-UHFFFAOYSA-N 406.507 5.727 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 8902920 WZJHMXZRWASFNO-UHFFFAOYSA-N 416.477 5.888 0 40 HKAB CCC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 9260608 CMRUADOAUAZOKK-QHCPKHFHSA-N 424.504 5.528 0 40 HKAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1cc(Cl)ccc1Cl 9285844 BWIKMWJKHDCDKT-UHFFFAOYSA-N 419.337 5.182 0 40 HKAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 9494883 DFPOZPINCWGRRK-UHFFFAOYSA-N 423.472 5.388 0 40 HKAB COc1ccc(-c2nnc(SCCC(C)=O)n2-c2cccc(C(F)(F)F)c2)cc1 9646601 NXMAUPAOOROYBX-UHFFFAOYSA-N 421.444 5.033 0 40 HKAB CSc1nncn1-c1cccc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1 12536554 BJWOBBVVUILTTI-UHFFFAOYSA-N 420.469 5.173 0 40 HKAB CCOc1ccc2nc(SCc3cn4cc(Br)ccc4n3)sc2c1 12555259 GHBOLBYEQQRRLG-UHFFFAOYSA-N 420.357 5.398 0 40 HKAB COC[C@@H](C)n1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc(F)cc1 12652790 FPAFYFCPWRAXIG-JLEISICNSA-N 411.329 6.102 0 40 HKAB CC(C)n1ncc2c(C(=O)Nc3ccc(Br)cc3F)cc(C3CC3)nc21 12776193 GKADENCYMDMOKI-UHFFFAOYSA-N 417.282 5.044 0 40 HKAB O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1Cl 14008906 YKWKHOJSODBUEK-UHFFFAOYSA-N 414.701 5.330 0 40 HKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1Br 14731715 ZXAMBLLOJXFUCP-UHFFFAOYSA-N 405.679 5.329 0 40 HKAB O=C(Nc1ccc(Br)cc1Cl)c1sc2ccccc2c1Cl 14785367 NNBPWTNRYSZNRC-UHFFFAOYSA-N 401.112 6.223 0 40 HKAB COc1ccccc1NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 16030523 UCCHRRYRWQRDOC-WZONZLPQSA-N 420.534 5.188 0 40 HKAB O[C@@H](CNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1 16477363 IPYBELHWRBHIOF-VWLOTQADSA-N 417.936 5.895 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 17087492 GOCBLBGMNLSZCK-RMKNXTFCSA-N 406.696 6.867 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc(C)c3C)o2)cc1Cl 17094200 LQGDJZJWQAPRGQ-ZRDIBKRKSA-N 424.953 6.052 0 40 HKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 20040299 IHQNEDUNGWKXKM-QGZVFWFLSA-N 409.913 6.662 0 40 HKAB CC[C@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c1 20610960 FMKRHMCLDDHBHT-KRWDZBQOSA-N 400.482 5.159 0 40 HKAB Cc1cccc(Cn2c([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)nc3ccccc32)c1 21167638 ZQJKVTBANXFGLS-IBGZPJMESA-N 415.924 5.567 0 40 HKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCC[C@H]1c1cccnc1 24777057 IVTSEVKVEKGXDF-DACFSCGWSA-N 420.516 5.311 0 40 HKAB Cc1noc(C(C)C)c1C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 24828605 JHTAHVZVQIVZRC-UHFFFAOYSA-N 410.326 5.713 0 40 HKAB Cc1nc(Nc2ccc3c(c2)OCCO3)sc1Cc1cc(Cl)ccc1Cl 26786607 CXOWPLZKDHLURB-UHFFFAOYSA-N 407.322 5.864 0 40 HKAB CCCCCOc1c(Cl)cc(C(=O)Nc2ccccc2OC(F)F)cc1Cl 27748204 OAZKRHFHFVXJOF-UHFFFAOYSA-N 418.267 6.416 0 40 HKAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Br)cc3Cl)cc2)n1 27970455 IOSPVAMDVBBOFQ-UHFFFAOYSA-N 418.722 5.216 0 40 HKAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1OC(F)F 29138536 BFGSCTNPMZMTIY-CYBMUJFWSA-N 420.843 5.406 0 40 HKAB COc1ccccc1[C@H]1CC(O)=Nc2sc(C(=O)Nc3ccc(F)cc3)c(C)c21 32094378 PFQKQPBOLYXCFL-MRXNPFEDSA-N 410.470 5.580 0 40 HKAB CC(=O)c1c(C)cc(C)c(CSc2nnc(Cc3cccs3)n2C2CC2)c1C 32739692 UNJJMJTZJZGGSK-UHFFFAOYSA-N 411.596 5.685 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 33660721 QLPUTKHYNVNZBY-UHFFFAOYSA-N 418.537 5.640 0 40 HKAB Cn1c(-c2nc(C(=O)Nc3cc(-c4cccs4)no3)cs2)cc2ccccc21 38910278 RWYVYPHSKKUKLW-UHFFFAOYSA-N 406.492 5.271 0 40 HKAB CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 40851410 COLYMFRXLSKHAU-UHFFFAOYSA-N 424.338 5.793 0 40 HKAB COc1cc(-c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1 41005055 OTHVXJBJMNCICJ-UHFFFAOYSA-N 409.283 5.580 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(-c2ccc(Br)cc2)[nH]n1 44837469 RQDXXPHKVLCOTI-UHFFFAOYSA-N 410.193 5.110 0 40 HKAB Cc1cc([C@@H](C)NC(=O)Nc2nnc(SCc3ccccc3)s2)c(C)s1 65550303 QKDFYYNWCPXXEY-GFCCVEGCSA-N 404.586 5.391 0 40 HKAB COC(=O)c1ccc(Cl)c2c1[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2 100016683 HHZFLHSBVLSEEI-HEYXNXDSSA-N 411.885 5.121 0 40 HKAB CCOc1ccc(N2C(=O)/C(=C\Nc3ccccc3CC)c3ccccc3C2=O)cc1 102996189 JKPZQIILZYZSKE-QJOMJCCJSA-N 412.489 5.288 0 40 HKAB O=C1S/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)N1Cc1ccccc1 106681801 TYGZNXJXOHYYSU-HMAPJEAMSA-N 419.477 5.641 0 40 HKAB CCOc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 118916210 SDDXAJAVPWQDGV-IMEUGJQVSA-N 408.626 6.872 0 40 HKAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 216323558 VSQCNVDVKPXOFR-JOCHJYFZSA-N 423.896 5.376 0 40 HKAB CC[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(C)c(C)c1 218991897 GQWNAHDSPKWDAI-XMMPIXPASA-N 407.941 6.417 0 40 HKAB Cc1cccc(C)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223075630 LPGRSPBVYBNUIF-UHFFFAOYSA-N 418.924 5.802 0 40 HKAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(C)C)c1)c1ccc2c(c1)CCCC2 223108215 ZNXGDHDGERXNOZ-QFIPXVFZSA-N 401.572 5.127 0 40 HKAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 223872160 IZGJTVRBMALNHQ-XZOQPEGZSA-N 413.502 5.224 0 40 HKAB CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 224861360 KNADKWREFKYETK-PMACEKPBSA-N 412.946 5.000 0 40 HKAB C[C@H](NC(=S)Nc1cccnc1Sc1ccc(Cl)cc1)c1ccc(F)cc1 225192410 ILHPRLOIOMOHSS-ZDUSSCGKSA-N 417.962 6.073 0 40 HKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)C2(c3ccccc3)CCCC2)c1 225362807 UDGIEPWEUXBPPL-UHFFFAOYSA-N 421.924 6.591 0 40 HKAB COc1ccc([C@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225463821 VXSDYGPAMDHBHY-KRWDZBQOSA-N 408.592 6.035 0 40 HKAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225739268 NMXYNXSXRRAURL-DEOSSOPVSA-N 404.595 5.111 0 40 HKAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1)Nc1cccc2ccccc12 253572981 QWADTPYNCPWGPE-UHFFFAOYSA-N 418.566 5.157 0 40 HKAB Cc1ccc(OCC(=O)O)c(-c2cc(-c3ccc(F)cc3)n(Cc3ccccc3)n2)c1 257287316 PPKOJGYGYZEFBY-UHFFFAOYSA-N 416.452 5.176 0 40 HKAB CC(C)C(=O)N[C@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cc(F)ccc2O)C1 257305553 SQNHUUBGUKTYBC-TUNNFDKTSA-N 405.897 5.308 0 40 HKAB S=C(NCc1ccc2c(c1)OCO2)c1cccc(OCc2ccc(Cl)cc2)c1 408574721 MLJGNBBYQHRYBY-UHFFFAOYSA-N 411.910 5.113 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(C)cc2C)cc1 408694332 JDAMISHAUJZIBX-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB COc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(Cl)cc3)n2)cc1 408696331 ZUKCAXVTNFTKOJ-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1cccc(Cl)c1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 408697091 HHBVFYIFTHIXDT-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB CC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)CC1 408709329 ZRXPGKIWXCYXDH-WLYUNCDWSA-N 411.373 5.067 0 40 HKAB CCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1cccc(Cl)c1 409112257 FODWGFZIKCOMNQ-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Cl)c1OCc1ccccc1F 409121416 WVCSEGKUWRJTEH-WQRHYEAKSA-N 423.871 5.950 0 40 HKAB CCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C1=O 409239953 OUKZNZUKDZNDKC-FYJGNVAPSA-N 424.953 6.098 0 40 HKAB COc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409369466 BWOCILDSWUFKQW-UHFFFAOYSA-N 414.864 5.117 0 40 HKAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 2037846379 OTLNXUXVHAISDV-QFIPXVFZSA-N 421.447 5.392 0 40 HKAB O=C(NCc1cccs1)c1ccc(Nc2ccc(OCc3ccccc3)cc2)nc1 1350506 DITPGZFYGKRVEJ-UHFFFAOYSA-N 415.518 5.396 0 40 HKAB O=C1[C@@H]2CCCN2c2ccc(C(F)(F)F)cc2N1Cc1cccc(C(F)(F)F)c1 1395287 SNDVSLBFWSYKHP-INIZCTEOSA-N 414.349 5.240 0 40 HKAB CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 1529278 KZJWDPNRJALLNS-NGOJOFGISA-N 414.718 8.025 0 40 HKAB O=C(Nc1nnc(COc2ccc(C3CCCCC3)cc2)s1)c1ccccc1F 2149075 YMFZWUIXUSKPIZ-UHFFFAOYSA-N 411.502 5.556 0 40 HKAB Clc1ccc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)c(Cl)c1 2183215 ALVOHMNQJNOFPZ-UHFFFAOYSA-N 400.696 7.001 0 40 HKAB COc1ccc(-c2nc(NC(=O)Cc3coc4cc(OC)ccc34)sc2C)cc1 2618126 SJZVRQFXUIUWLL-UHFFFAOYSA-N 408.479 5.063 0 40 HKAB CCn1c(-c2ccccc2)c(C(=O)COC(=O)c2cccnc2Cl)c2ccccc21 2655417 ZWLFLGAKNMYKDX-UHFFFAOYSA-N 418.880 5.416 0 40 HKAB CCCCSc1nnc2c(n1)O[C@@H](c1ccc(OC)c(C)c1)Nc1ccccc1-2 2737183 XIAUABGEXLIQMD-FQEVSTJZSA-N 408.527 5.251 0 40 HKAB Cc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1NC(=O)c1ccco1 3327962 POLUMGSAESCCGY-UHFFFAOYSA-N 410.473 5.683 0 40 HKAB Cc1cccc(N2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)C[C@H]2C)c1 3328465 ZNZDIZYDURTYEL-HXUWFJFHSA-N 417.578 5.695 0 40 HKAB COc1ccc(CC(=O)N(c2nc3ccccc3s2)c2cccc(Cl)c2C)cc1 3345104 ZIOYAAJWDKKCEF-UHFFFAOYSA-N 422.937 6.174 0 40 HKAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N[C@@H]1CCCc2ccccc21 3360862 GMLAINUSSXACNY-QUCCMNQESA-N 424.894 5.989 0 40 HKAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CC=C(c4ccccc4)CC3)cccc2c1=O 3406778 YCMIXPLRZZELQE-UHFFFAOYSA-N 421.496 5.698 0 40 HKAB OC1=N[C@@H](c2ccc(Cl)cc2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 3647467 OTGQYPKYVJZUBI-HXUWFJFHSA-N 409.942 5.389 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2Cc2ccco2)cc1 4778871 AAZCQMKSHACZGA-MHZLTWQESA-N 418.496 6.482 0 40 HKAB CCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(C)cc1 4848003 GGKVHEWCCSTSTP-HSZRJFAPSA-N 412.599 5.028 0 40 HKAB CCC(=O)Nc1cc(NC(=O)CSc2nc3ccccc3cc2CC)ccc1C 4849255 ZPUZNVUXMOIHEW-UHFFFAOYSA-N 407.539 5.185 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc2sccc2n1Cc1ccccc1 4970930 CIAVLDCALLPTNV-UHFFFAOYSA-N 400.425 6.022 0 40 HKAB O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccc(Oc2ccccc2)cc1 5559303 LQNTYNACLIJENV-UHFFFAOYSA-N 401.245 5.825 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(Nc3cccc(C)c3C)s2)c1C 6268178 QTLWZIFPWXLREM-UHFFFAOYSA-N 414.556 5.021 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cc2)cc1 6553452 FBTJKUICPNQBGI-UHFFFAOYSA-N 413.477 5.000 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2)c1C 7881829 XZOFLNOUTDGZGF-LJQANCHMSA-N 400.478 5.087 0 40 HKAB Nc1c(Br)cc(-c2nc3ccccc3s2)c(Cl)c1Br 8729521 MYDIZTFWCSFRIQ-UHFFFAOYSA-N 418.541 5.724 0 40 HKAB COP(=O)(OC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCc1ccccc1 8915173 ZQPXESVIJHZDAH-UHFFFAOYSA-N 414.442 5.362 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3Cl)[nH]2)cc1 9199429 BFLUFYFIMJMILX-UHFFFAOYSA-N 400.935 5.153 0 40 HKAB Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccccc1Cl 9278567 FBTRPOHUTLTXKQ-UHFFFAOYSA-N 415.927 5.121 0 40 HKAB CC(C)c1ccc(Nc2c(-c3cc(Br)ccc3O)nc3ncccn23)cc1 9290199 MBWPYDQXOLLKRR-UHFFFAOYSA-N 423.314 5.731 0 40 HKAB O=C(c1cc(-c2csc(Nc3cccc(C(F)(F)F)c3)n2)c[nH]1)N1CCCC1 9377151 HEOZCEQVRXZIGM-UHFFFAOYSA-N 406.433 5.137 0 40 HKAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1c(F)c(F)c(F)c(F)c1F 10120023 QAAPJGWQEGTFFX-UHFFFAOYSA-N 418.321 5.366 0 40 HKAB C[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)c(F)c1 12389030 PVQRTODVOFEVPR-CQSZACIVSA-N 402.296 6.219 0 40 HKAB Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2N=C(O)C[C@@H]3c2ccccc2F)n1 13682348 YWQZCJVFXMRFMH-GOSISDBHSA-N 413.456 5.209 0 40 HKAB COc1cc(OC)c(NC(=O)Cc2sc(C)nc2-c2ccc(C)cc2)cc1Cl 14716293 UWDCSAGRZGFZFJ-UHFFFAOYSA-N 416.930 5.279 0 40 HKAB Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1[C@@H](O)CC(C)(C)C2 16740236 XMEZVPFHJBSSAJ-NRFANRHFSA-N 403.522 5.436 0 40 HKAB CCCn1c(S)nnc1-c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 17090830 VNZUGZKOPDZLRA-UHFFFAOYSA-N 416.554 5.133 0 40 HKAB O=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)c1cc(F)c(Cl)cc1Cl 17370645 CSTLYRNZUVWUPF-UHFFFAOYSA-N 424.259 5.900 0 40 HKAB COc1ccc(C(=O)N2CCC[C@@H]2c2cc(-c3ccccc3)cc(C)n2)c(OC)c1 19690739 UDUKFXCYBVYFMS-HSZRJFAPSA-N 402.494 5.052 0 40 HKAB O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Br 19814560 VETIPDKAGWDXJE-UHFFFAOYSA-N 420.266 5.418 0 40 HKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 20108541 VXFOOHFNOBHHTE-HXUWFJFHSA-N 421.512 5.414 0 40 HKAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)C(c1ccccc1)c1ccccc1 21574019 RAKPJUIVCHNWJS-UHFFFAOYSA-N 413.496 5.458 0 40 HKAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(OCc2ccccc2)cc1 22237519 XVGZBRLKBGRRHE-UHFFFAOYSA-N 401.491 5.345 0 40 HKAB Cc1ccc([C@@H](c2ccccc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 22454886 ZKKRFYAEWBLTKZ-GDLZYMKVSA-N 423.604 5.816 0 40 HKAB biogenic Cc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 27744455 GPOQDCBVFBKJTP-NRFANRHFSA-N 418.924 5.457 0 40 HKAB COc1ccc2nc(Cl)c([C@@H]3Nc4ccccc4C(=O)N3c3ccccc3)cc2c1 30836441 REYIHOCLPPCABV-HSZRJFAPSA-N 415.880 5.668 0 40 HKAB O=C(NCCOc1ccccc1)c1sc2cc(-c3ccccc3)ccc2c1Cl 30836540 MKVXEAYBZGWSDN-UHFFFAOYSA-N 407.922 6.031 0 40 HKAB Cc1cc(NC(=O)c2ccccc2C(F)(F)F)n(-c2cccc(Br)c2)n1 32832086 CZUYVHCWETZQQH-UHFFFAOYSA-N 424.220 5.214 0 40 HKAB COc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1cc(C)ccc1C 33784490 NJYNZVMVLXWHAP-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB Cc1cc2oc(=O)cc(CN3CCN(c4ccccc4Cl)CC3)c2cc1C(C)C 57999765 RUXVNCJVMNQCKD-UHFFFAOYSA-N 410.945 5.200 0 40 HKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1)C1CC1 72215358 HLZHBSPVJFKMKP-NRFANRHFSA-N 421.541 5.353 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 96096602 YFNWIDPBHQQMIN-UHFFFAOYSA-N 422.432 5.228 0 40 HKAB CC(C)C1=C[C@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1c1c(O)ccc(O)c13 104371878 LXMARPMTBJNUMP-ZQPVMCPUSA-N 410.554 5.726 0 40 HKAB CC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)C[C@H](C)C[C@H]2[C@H]1c1ccc(Cl)cc1 107896406 OIQJDCCKLRKESC-FZYGOTEYSA-N 413.348 6.382 0 40 HKAB CCOc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1OCC 219279494 GDMZKWNDHLUSMY-HXUWFJFHSA-N 411.542 5.144 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1cccc(C)c1 224110609 HIZCYFXCZQAFKL-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1c1ccccc1 224186032 QKROYZJPWIWTBR-XZOQPEGZSA-N 402.567 5.565 0 40 HKAB COc1cccc(OCc2cc(C(=O)Nc3cccc(Cl)c3C)ccc2OC)c1 224253096 SJMJVROZLGMQSA-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccc(Cl)cc1 224268713 CIKYDBLNCVTIIJ-MRXNPFEDSA-N 403.975 5.036 0 40 HKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)c1 224526953 ANQMBCSMJXSHQO-PKTZIBPZSA-N 418.566 5.184 0 40 HKAB CCOc1ccc(C(=O)NCc2ccccc2)cc1COc1ccccc1C(C)C 224562804 IDBIQSBFLXLEQE-UHFFFAOYSA-N 403.522 5.718 0 40 HKAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225448121 IJPLDRMPIAKWOY-VWLOTQADSA-N 422.613 5.119 0 40 HKAB CC[C@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(C)c(C)c1 225712451 RPTJHUBUZMBOOL-QFIPXVFZSA-N 409.599 5.367 0 40 HKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225734699 RESNLXHLNWNLGN-GBXCKJPGSA-N 404.595 5.110 0 40 HKAB C[C@H]1C[C@@H](C)CN(C[C@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)C1 231432816 DKQZZSIPHROKMK-XJUOHMSHSA-N 419.650 5.135 0 40 HKAB COC(=O)c1c(NC(=O)c2ccc(CSc3ccccc3)cc2)sc2c1CCC2 408576417 UNJMJFVBZNMGKZ-UHFFFAOYSA-N 423.559 5.568 0 40 HKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)cc3)n2)cc1 408694350 JJBSNNUMBZUBJZ-UHFFFAOYSA-N 416.456 5.033 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(Cl)ccc3C)n2)cc1C 408695387 QIGXFZHABXEBME-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)cc3)n2)cc1 408699793 WGMZBIRGDWHWME-UHFFFAOYSA-N 416.912 5.711 0 40 HKAB O=C(O)Cc1sc(Nc2ccc(Br)cc2)nc1-c1ccc(Cl)cc1 408889072 BKNGXHVCYBISIA-UHFFFAOYSA-N 423.719 5.597 0 40 HKAB Brc1ccc(COc2ccc3ccccc3c2CNc2ccccc2)cc1 409113420 ICPLLVBSPPXJBO-UHFFFAOYSA-N 418.334 6.793 0 40 HKAB Clc1ccc(NCc2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 409183050 QNTCJUQDZCBUFO-UHFFFAOYSA-N 408.328 7.338 0 40 HKAB Cc1cnc(Nc2cccc(C3CCN(C(=O)CCC4CCCCC4)CC3)n2)s1 585262610 IDOCHVRJUKWDEF-UHFFFAOYSA-N 412.603 5.657 0 40 HKAB CC(C)CCNC(=O)c1ccc2c(c1)Cc1cccc(c1)CN(C)CCCCCO2 643579592 BJUYTIXRBYABLP-UHFFFAOYSA-N 408.586 5.048 0 40 HKAB CCCCc1ccc(C(=O)N[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)C(C)C)cc1 1505840587 WWBIYKLJAWQBSA-FQEVSTJZSA-N 420.475 5.441 0 40 HKAB Cc1ccc(C(=O)N2CCCCCCCCN(C(=O)C3CC3)c3ccccc3C2)cc1 2037885078 WQACREWXHUHCSG-UHFFFAOYSA-N 418.581 5.735 0 40 HKAB Cc1cc(-c2ccc(F)cc2)nc2cc(C(=O)Nc3ccc(Cl)cc3Cl)nn12 994277 OQVAKCLEHREFHV-UHFFFAOYSA-N 415.255 5.403 0 40 HKAB O=C(C[C@@H](Sc1cccc2cccnc12)c1ccc(Cl)cc1)c1cccs1 1096545 LAAZXWFNGMEGJG-OAQYLSRUSA-N 409.963 7.056 0 40 HKAB Cc1nc(-c2ccccc2)sc1C(=O)CSc1ccc(Br)cc1 1390115 ZVRDIHGYWXQVAM-UHFFFAOYSA-N 404.354 5.856 0 40 HKAB Clc1ccccc1-c1nc2ncccc2n1OCc1ccc(Br)cc1 1400248 RYDKHTHWFCGYHP-UHFFFAOYSA-N 414.690 5.143 0 40 HKAB Fc1ccc(-c2csc(N3CCN(c4nc(-c5ccccc5)cs4)CC3)n2)cc1 1426128 JWAKHSVHEWOREZ-UHFFFAOYSA-N 422.554 5.399 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(N2CCC(C)CC2)cc1 1838790 ZPHIKYLNIPUMRR-FPYGCLRLSA-N 419.352 5.890 0 40 HKAB COC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc2c1CC[C@@H](C(C)(C)C)C2 2087946 BOAYTDQQRLHZTB-GOSISDBHSA-N 421.562 6.091 0 40 HKAB Cc1cccc(C(=O)Nc2scc(-c3ccc(Br)cc3)c2C(=O)O)c1 2158197 OAIYXBQEALWRIL-UHFFFAOYSA-N 416.296 5.437 0 40 HKAB Cc1ccccc1NCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2887634 HFVFUKJGCUAYHA-UHFFFAOYSA-N 406.338 5.400 0 40 HKAB O=C(c1ccc(Cl)c(Cl)c1)c1cnc(Nc2ccc(Cl)c(Cl)c2)s1 3029476 AZMDURGSYIGUSQ-UHFFFAOYSA-N 418.132 6.731 0 40 HKAB COc1cc(Br)c(OC)c([C@H]2CC(=O)Nc3c2ccc2ccccc32)c1 3073765 MDOPVHSMAAINEZ-INIZCTEOSA-N 412.283 5.094 0 40 HKAB COc1cccc(C(=O)N(c2ccc(F)cc2)c2nc3ccccc3s2)c1OC 3318408 WSARDGOGFUVCSG-UHFFFAOYSA-N 408.454 5.431 0 40 HKAB C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)N(C)c1ccccc1 3360104 LGYUZFUZFNWAFU-GOSISDBHSA-N 414.534 5.078 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc(OCc2ccccc2)cc1 3435946 OYOMJJRWGVUSPW-INIZCTEOSA-N 410.901 5.367 0 40 HKAB CC(=O)[C@@H](C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)C(c1ccccc1)c1ccccc1 3846277 PBSTWIYTCPQRBP-JNSABCDYSA-N 406.566 6.028 0 40 HKAB CCCC(=O)NC(=S)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1OC 4122729 UZECVGCUHQBOQF-UHFFFAOYSA-N 411.527 5.240 0 40 HKAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)cc1 4816796 HWUYGBPNMSIGKG-LEWJYISDSA-N 424.932 5.198 0 40 HKAB COc1ccc(Br)c(C(=O)Nc2ccc(N3CCCCCC3)cc2)c1 5245303 ATFBJJPEUDRYEI-UHFFFAOYSA-N 403.320 5.090 0 40 HKAB N[C@H](Cc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C(=O)O 5385427 NPNJNUNUMMLETK-AREMUKBSSA-N 423.512 5.012 0 40 HKAB Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2Cc2ccco2)cc1 5478557 JFWZOXCSQYCNAD-UHFFFAOYSA-N 409.486 5.238 0 40 HKAB CC(C)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1C(C)C 5761633 CGYONFZXYNCFCN-UHFFFAOYSA-N 410.450 7.578 0 40 HKAB in-vitro Cc1nc2cc(NC(=O)COc3ccc4ccccc4c3)ccc2n1-c1ccccc1 6025415 IUBREVOVQNPUAD-UHFFFAOYSA-N 407.473 5.505 0 40 HKAB CSCC[C@@H](NC(=O)c1oc2c(Cl)cccc2c1C)c1nc2ccccc2[nH]1 6551740 FHQPQPJHIKGSKU-QGZVFWFLSA-N 413.930 5.495 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 6563496 LXDISZLKAKVYDX-UHFFFAOYSA-N 404.901 5.624 0 40 HKAB CCc1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)c2nc3ccccc3s2)cc1 6931306 KZTQPFUCCUGZMZ-NRFANRHFSA-N 416.502 5.363 0 40 HKAB C[C@@H](NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1)c1cc2ccccc2o1 7360018 XLCAGXRIGHCOHU-CRAIPNDOSA-N 405.523 5.057 0 40 HKAB CCOc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OCc1cccs1 7364512 JNTYDSBKYUEIGF-QHCPKHFHSA-N 420.534 5.455 0 40 HKAB CCSc1nnc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)s1 7807570 PEINSYUJILUIEB-UHFFFAOYSA-N 408.508 5.224 0 40 HKAB CCOc1cc(CN[C@@H](C)c2ccco2)ccc1OCc1c(F)cccc1Cl 8157415 DMIFOZPJUGWKDS-HNNXBMFYSA-N 403.881 5.901 0 40 HKAB O=C(Nc1c(Cl)cccc1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1 9063733 PKDNCWYGWPHJGT-UHFFFAOYSA-N 415.723 5.637 0 40 HKAB Clc1ccc2nc(CSc3nnc(-c4ccccc4)n3-c3ccccc3)cn2c1 9403820 BZGIOBQWZHLQBX-UHFFFAOYSA-N 417.925 5.528 0 40 HKAB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(C)c(Cl)c4)cc3)oc2cc1C 10120302 LZYXWZZVFINADF-UHFFFAOYSA-N 404.897 6.003 0 40 HKAB CCCNC(=O)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 10359964 KDRCLXYQOBPREC-UHFFFAOYSA-N 404.535 5.371 0 40 HKAB COc1ccccc1OCCCNc1ncc(-c2cccs2)c(-c2nccs2)n1 12729307 WQJXVLRVALIPJI-UHFFFAOYSA-N 424.551 5.218 0 40 HKAB CCc1ccc(Cl)c(CC)c1NC(=O)Cc1cc(Cl)c2c(c1)OCCCO2 12941670 PMOGZQXMWYAYDN-UHFFFAOYSA-N 408.325 5.461 0 40 HKAB O=S(=O)(c1c(Cl)cccc1Cl)N1CCC[C@H]1c1nc2ccccc2s1 12984881 LVHZJJIFHMVGIS-AWEZNQCLSA-N 413.351 5.129 0 40 HKAB CCn1c(SCc2ccc(Br)cc2)nnc1[C@@H](C)Oc1ccccc1 13849850 NHWVIWSVEHHHKT-CQSZACIVSA-N 418.360 5.493 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(NC(=O)COc3ccccc3C(C)C)cc2)c1 14553099 OCLJPQMGKOPKNP-UHFFFAOYSA-N 402.494 5.388 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccccc1 15325286 ZNZPUKSEEJNHQT-DLBZAZTESA-N 422.912 5.237 0 40 HKAB CCc1ccc(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)cc1 15881562 VYDUPWQRARWDSL-UHFFFAOYSA-N 402.498 5.091 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccccc1Cl 16227011 OTBCYMOHVNQGTN-UHFFFAOYSA-N 424.909 5.643 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CSc1nccn2nc(-c3ccccc3)cc12 17121255 KIRJTKYHRXLYER-UHFFFAOYSA-N 408.914 5.089 0 40 HKAB CN1CCN(CCSC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)CC1 19366466 MDUPRNHWFVJKTI-UHFFFAOYSA-N 420.003 5.043 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)c2nc3ccc(F)cc3[nH]2)n1 19691237 FLZUVNNPRQOCCZ-QFIPXVFZSA-N 418.447 5.189 0 40 HKAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2cn(C)nc2C)nc2ccccc12 19716417 YTUYKRLQMMUMKX-DEOSSOPVSA-N 416.500 5.306 0 40 HKAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(Br)cc1 20138311 XOCYCFOTDMKBQW-UHFFFAOYSA-N 406.663 5.107 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccc(CO)o2)cc1 20144717 MOWXBKUOOBCFCK-GFCCVEGCSA-N 406.265 5.152 0 40 HKAB O=C(Nc1ccccc1Cl)c1cccnc1Nc1ccc(Br)cc1 22072393 IWRUGNBVRAFTHD-UHFFFAOYSA-N 402.679 5.493 0 40 HKAB Cc1cn2c(/C=C/C(=O)N(Cc3cccs3)Cc3cccs3)c(C)nc2s1 24467621 AHJYEHPJRMTAOY-BQYQJAHWSA-N 413.593 5.378 0 40 HKAB C[C@@H]1C[C@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2c(Cl)cccc2Cl)o1 30368806 KWCYLUSMAWXRSJ-BXUZGUMPSA-N 400.327 5.063 0 40 HKAB CCc1ccc(C(=O)C[C@@H](Nc2ccccc2)c2ccc(Br)cc2)cc1 32117626 GPJHYFTWMBONOS-JOCHJYFZSA-N 408.339 6.438 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1 33379927 NHXJRNUANRWJRJ-ZRDDSIGQSA-N 420.295 5.087 0 40 HKAB Cc1cc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)ccc1Br 38850307 ODZKMXBRKWRXRY-OAHLLOKOSA-N 401.348 5.242 0 40 HKAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 44912872 VOLCIMHLHDFNCF-DOTOQJQBSA-N 403.353 5.183 0 40 HKAB O=C(CN1CCC[C@H]1c1cccs1)N(CC(F)(F)F)c1ccc(Cl)cc1 48355793 HBPWENZHOXDFDY-HNNXBMFYSA-N 402.869 5.134 0 40 HKAB O=C(NCc1ccc(COCc2ccccc2)cc1)C1(c2cccc(F)c2)CCC1 71798110 ATOUMEFNDFCSLO-UHFFFAOYSA-N 403.497 5.281 0 40 HKAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(Sc2ccccc2)nc1 72217632 IVYWXCDMDZHDFC-QFIPXVFZSA-N 404.535 6.097 0 40 HKAB O=C(Nc1ccc(F)cc1)[C@@H]1CC[C@@H](c2ccc(F)cc2)O[C@H]1c1ccc(O)cc1 77292482 IBDXWUJVRNPFPE-VJBWXMMDSA-N 409.432 5.518 0 40 HKAB in-vitro O=C(Nc1nc(-c2ccccc2)ns1)c1nc(Cl)c(Cl)c(Cl)c1Cl 95364816 QVOOTFKYENSPRY-UHFFFAOYSA-N 420.108 5.466 0 40 HKAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1cccc2ncccc12 100156405 ROVLGWSZOZEPPL-IYBDPMFKSA-N 418.522 5.050 0 40 HKAB CC[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(OC)cc1 219772781 SDIUUWVYZBVTSD-JOCHJYFZSA-N 409.913 5.809 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(OC2CCCC2)cc1 222730899 IDQHYGOYMJTVRX-UHFFFAOYSA-N 410.366 6.187 0 40 HKAB O=C(CSCc1ccc(Br)cc1)NCc1ccc2ccccc2c1 222750989 MYFFQAFLYGSNEU-UHFFFAOYSA-N 400.341 5.152 0 40 HKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(OCC)cc1 222977805 WTTBFEHSKDOTJM-XZOQPEGZSA-N 420.582 5.044 0 40 HKAB Fc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223108144 PVINMNAGFZMGNV-PKTZIBPZSA-N 420.557 5.317 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(Cc2ccncc2)cc1 223443881 GONDLAVKCOKFSF-UHFFFAOYSA-N 417.361 5.851 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(F)cc2)cc1 223648494 LOKZAQKYCRWKOO-UHFFFAOYSA-N 407.850 5.081 0 40 HKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1nnc(SCc2ccccc2)s1 223731551 LWNYWUXFKDUJEU-QGZVFWFLSA-N 413.568 5.243 0 40 HKAB CC(C)c1ccccc1OCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 223827541 FTYPSCOJGPGTPV-UHFFFAOYSA-N 412.382 5.545 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 224178773 DYCUFTLBUKQKHO-LJQANCHMSA-N 417.549 6.063 0 40 HKAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1cc(C)cc(C)c1C 224274501 VOEXOMXFTFGONA-UHFFFAOYSA-N 403.522 5.438 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccc(C)cc1 224469814 PCATZFHIGJUJSD-UHFFFAOYSA-N 403.478 5.428 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccc(Cl)c(C)c1 224541510 DYAFENRQLOCMND-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224930554 GBDWRDAOXWVEJM-UHFFFAOYSA-N 422.333 6.001 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224960195 SJDVNKRVYHWUGE-UHFFFAOYSA-N 409.272 6.568 0 40 HKAB CCOc1ccccc1CNC(=S)Nc1ccc(CSc2ccccc2)cc1 225442223 SRFADCYYFJFJPW-UHFFFAOYSA-N 408.592 5.864 0 40 HKAB COC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c1C 225505206 DEYMIQUOVCRUBG-JOCHJYFZSA-N 404.535 5.166 0 40 HKAB CCOC(=O)c1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1C 225675150 MTMFLCXYHQHFPI-LJQANCHMSA-N 412.555 5.069 0 40 HKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225735136 MCINQRBINYADGG-XMMPIXPASA-N 404.595 5.111 0 40 HKAB C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(OC2CCCC2)cc1 225741350 BQJSSPMYAMATKF-GOSISDBHSA-N 409.599 5.136 0 40 HKAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccccc3Br)nc2c1 226282461 NFFCWTOIXGQFCU-UHFFFAOYSA-N 413.193 5.173 0 40 HKAB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 253514175 FXWAFDROLPRQFL-PQDNMPEFSA-N 414.674 6.382 0 40 HKAB Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3c3ncc(Cc4cccc(F)c4)o3)cc12 257239233 HONMTGHCUJCJJB-HSZRJFAPSA-N 417.484 5.562 0 40 HKAB CC(=O)OCC(=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1CC3 263602058 LVFYHUIQUAZOKG-GOTPNQGBSA-N 414.586 5.437 0 40 HKAB Cc1ccc(COc2cccc([C@H]3SCC(=O)N3c3ccc(Cl)cc3)c2)cc1 408558903 WOKDCTVMOZFZTJ-HSZRJFAPSA-N 409.938 6.006 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc2c(ccc3ccccc32)o1 408621606 SSEJJHXPNKYXEP-UHFFFAOYSA-N 413.860 7.284 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4C)C3)cc2)cc1 408639648 GNLCJAJGPHJUBC-LJQANCHMSA-N 400.478 5.087 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)n(-c2ccccc2)n1 408694714 LZRWNLUSFDUTEC-UHFFFAOYSA-N 409.276 5.493 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2cc(C)ccc2C)c1 408698828 PWLPYIZDMYKLGT-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)S2)cc1 408780227 VTUDTBFKVAGYEB-FCKOQQNDSA-N 409.599 5.772 0 40 HKAB CCc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)cc1 409115382 MGHVNQMLSNGHLB-UHFFFAOYSA-N 420.767 7.400 0 40 HKAB O=C(N[C@@H](c1cccs1)C1CCOCC1)c1cccc(Oc2ccc(F)cc2)c1 585149466 VHOWZANSWKGQDE-JOCHJYFZSA-N 411.498 5.577 0 40 HKAB CCOC(=O)c1cccc(NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)c1 682556 FMVOFBGAOCPMBB-JTQLQIEISA-N 416.688 5.230 0 40 HKAB COc1ccc([C@H]2NCCc3c2[nH]c2ccccc32)cc1COc1ccc(F)cc1 985703 NYWREHRGJLDICR-XMMPIXPASA-N 402.469 5.130 0 40 HKAB CCCc1nc(SCC(=O)Nc2ccccc2Br)c2ccccc2n1 1342752 FAKFCMFFKNZXEH-UHFFFAOYSA-N 416.344 5.076 0 40 HKAB CCCc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)c2ccccc2n1 1342769 LSNJXYUSXXWGPT-UHFFFAOYSA-N 405.445 5.332 0 40 HKAB CCOC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3ccccc3C)cc12 1463660 DOIXAWRODIYNOD-UHFFFAOYSA-N 417.255 5.208 0 40 HKAB biogenic CC(=O)Oc1ccc(C(=C2CC=CC[C@@H]2C(C)C)c2ccc(OC(C)=O)cc2)cc1 1719867 QDPGBHOCBUJKDJ-XMMPIXPASA-N 404.506 5.961 0 40 HKAB COc1ccc(C2=C(Cl)C=C(c3ccc(C)cc3)c3ccccc3O2)cc1OC 1782829 IVBWRYGQQLYQRI-UHFFFAOYSA-N 404.893 6.444 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)/C(Br)=C/c2ccccc2)cc1 1809043 LCNKBVFVDQNDIY-JXAWBTAJSA-N 402.288 5.018 0 40 HKAB Cc1cc(C)cc(OCCOc2c(-c3ccccc3)oc3cc(C)c(C)cc3c2=O)c1 1923696 LKFPGOPTINXWHU-UHFFFAOYSA-N 414.501 6.151 0 40 HKAB CC(C)CCSc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1 2220203 KKFXDIYCYQRCIG-UHFFFAOYSA-N 406.576 6.840 0 40 HKAB O=C(Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1)c1cccs1 2292774 BEEMCXRQVBKWRS-UHFFFAOYSA-N 414.313 7.253 0 40 HKAB Cc1c(-c2ccccc2)oc2c(C(=O)OCCOc3ccccc3)cccc2c1=O 2635617 USNADRWUHFFLIY-UHFFFAOYSA-N 400.430 5.004 0 40 HKAB N=C1c2ccccc2CN1c1ccc(-c2ccc(N3Cc4ccccc4C3=N)cc2)cc1 2645160 PARHYKVOERQIHO-UHFFFAOYSA-N 414.512 6.045 0 40 HKAB Cc1cc(C(=O)CSc2nnc(Nc3ccccc3)s2)c(C)n1CCC(C)C 2649820 SDOWISVVXPTJAJ-UHFFFAOYSA-N 414.600 5.721 0 40 HKAB COc1cc2c3nnc(-c4ccccc4)c-3cn(Cc3ccc(C)cc3)c2cc1OC 2691334 PYJGCEBSEMQNKM-UHFFFAOYSA-N 409.489 5.577 0 40 HKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(NC4CCCCC4)ncnc32)cc1 2715192 OSRXYHXFSOQXEB-UHFFFAOYSA-N 412.537 6.231 0 40 HKAB Cc1ccc(-c2cc(C(F)F)nc3sc4c(=O)[nH]c(-c5ccncc5)nc4c23)cc1 2785606 FBMMHKLQVBHITH-UHFFFAOYSA-N 420.444 5.508 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2c3ccccc3[C@](C)(c3ccccc3)CC2(C)C)cc1 3166080 GAMWTXDYUIIURJ-LJAQVGFWSA-N 411.589 7.119 0 40 HKAB O=C(c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12)C(F)(F)F 3644729 PPSXTCJOGVULII-UHFFFAOYSA-N 400.169 5.336 0 40 HKAB CCc1cccc(C)c1NC(=O)CSc1nnc([C@H](C)Oc2ccccc2)n1CC 4690490 YHFBREFCIBORCT-KRWDZBQOSA-N 424.570 5.040 0 40 HKAB CC[C@@]1(C)C[C@](CCN(Cc2ccccc2)C(C)=O)(c2ccccc2OC)CCO1 4811439 MQQLQGMWZQZRPZ-IZZNHLLZSA-N 409.570 5.351 0 40 HKAB O=S(=O)(c1cc(-c2nc3ccccc3s2)ccc1Cl)N1CCCCCC1 5043050 RSGYCPLMOFCPJQ-UHFFFAOYSA-N 406.960 5.181 0 40 HKAB Cn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1Cl 5448512 ITGROUYWIXGSIS-UHFFFAOYSA-N 408.914 5.020 0 40 HKAB COc1ccc2c(CC(=O)Nc3cc4oc5ccccc5c4cc3OC)coc2c1 5700544 JWMISYNAEDTFKI-UHFFFAOYSA-N 401.418 5.531 0 40 HKAB CCc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 6844084 HATGJJKIVSGQCD-UHFFFAOYSA-N 415.968 6.634 0 40 HKAB CCCOc1cccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)c1 6943119 ORAPLEYOMKOECK-UHFFFAOYSA-N 405.277 6.399 0 40 HKAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 7141165 QKCXBWJFIAIRSX-XLIONFOSSA-N 406.551 5.796 0 40 HKAB CCN(C(=O)[C@H](C)Sc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1 7160840 FCWXVPVYYITDAH-ZDUSSCGKSA-N 405.445 5.182 0 40 HKAB CCOc1ccc2nc(NC(=O)c3ccc(C4SCCCS4)cc3)sc2c1 7280356 LEEXEMHNUPIWDC-UHFFFAOYSA-N 416.593 5.816 0 40 HKAB CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 7653129 APIRBKFBKSKKMQ-VXGBXAGGSA-N 411.354 5.310 0 40 HKAB CCOc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 8254015 RPRFFSDTJPPQNL-QGZVFWFLSA-N 413.920 6.308 0 40 HKAB Brc1ccc(N2[C@@H]3Sc4ncccc4[C@H]2Sc2ncccc23)cc1 8384965 DBTFMNWFFBUKNO-QZTJIDSGSA-N 414.353 5.655 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1nc(SCc2ccc(Cl)cc2)ncc1Cl 9303899 QHCLEASRIUPVKH-UHFFFAOYSA-N 424.740 5.981 0 40 HKAB COc1cccc2cc(-c3cc(=O)oc4ccc(OC(=O)c5cccs5)cc34)oc12 9419936 AOXCJQVYCDVGNL-UHFFFAOYSA-N 418.426 5.496 0 40 HKAB biogenic COc1cc(NC(=O)c2ccc3noc(-c4ccc(C)cc4)c3c2)cc(OC)c1OC 9528936 RWOTYPGCKNSWCH-UHFFFAOYSA-N 418.449 5.081 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc2oc(C(=O)c3ccc(Cl)cc3)c(C)c2c1 9659873 XYTHXUNWGCUCQQ-UHFFFAOYSA-N 403.865 6.186 0 40 HKAB biogenic COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)c3cccc(C)c3)nc12 9708972 UJORBHXWXVITQB-UHFFFAOYSA-N 423.925 5.509 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1NS(=O)(=O)c1ccccc1 10360279 SUANNLUNIBWFAX-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB C[C@H](Sc1nnc([C@@H](C)N2CCCCC2)n1-c1ccc(F)cc1)c1ccccc1 12516908 BNTDVMCMQKLYCH-MSOLQXFVSA-N 410.562 5.807 0 40 HKAB Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)n2)cc1 12923417 VBFZMUIOPMIJQU-UHFFFAOYSA-N 411.914 5.151 0 40 HKAB CC(C)[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc2c(c1)OCCO2 13017421 NICQDWNUUOJVOJ-LJQANCHMSA-N 419.905 5.592 0 40 HKAB COc1ccc(CN2CC[C@H](C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1 13996954 GACVFXYUDRVNOK-DQEYMECFSA-N 419.496 5.289 0 40 HKAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 13998019 HLVQRPUFGVTTRL-LFIBNONCSA-N 420.534 5.065 0 40 HKAB Cc1ccc(C(=O)C[C@@H](c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)cc1 16291771 ORVRVMQUJSWWCP-VWLOTQADSA-N 418.968 5.785 0 40 HKAB CC(=O)C[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 16757829 FFDZWNGXIYUCTL-INIZCTEOSA-N 421.953 6.201 0 40 HKAB CC(C)C(=O)NC(=S)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 17087842 JMOZZUBDWUKFPH-UHFFFAOYSA-N 408.310 5.271 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)Nc5ccc(Cl)cc5Cl)(C4)C2)C3)cc1 18268178 UVWGGUYQKIDKMD-UPFYTXMWSA-N 414.376 6.779 0 40 HKAB c1ccc(Nc2cc(-c3ccncc3)nc(C3CCN(Cc4ccncc4)CC3)n2)cc1 19373338 JYJNUEIYDVDEDD-UHFFFAOYSA-N 422.536 5.057 0 40 HKAB CCn1ncc(CN2CCC[C@H]2c2cc(Cc3ccccc3Cl)cc(C)n2)c1C 19692002 AFGFPPNKPAFWOH-DEOSSOPVSA-N 408.977 5.496 0 40 HKAB Cc1cccc(-c2nnc(SCc3nnc(-c4ccc(Cl)cc4Cl)o3)o2)c1 19927470 LEEKNOWWVKSSAF-UHFFFAOYSA-N 419.293 5.694 0 40 HKAB Cc1ccc([C@H](NC(=O)c2ccc(CSc3ccccc3)cc2)c2ccccc2)cc1 20105856 NGZCKASINAEOLF-HHHXNRCGSA-N 423.581 6.807 0 40 HKAB COc1ccc(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1Cl 27746966 QLMQXNTYVJGYJB-IBGZPJMESA-N 404.897 5.392 0 40 HKAB O=C(NCc1ccccc1C(F)(F)F)c1ccc(COc2ccc(F)cc2F)o1 27983597 XCVRMUPZWQSOQG-UHFFFAOYSA-N 411.326 5.086 0 40 HKAB COc1ccc(C)cc1NC(=O)c1ccc(COc2ccccc2Br)o1 28231457 DPCJTQICJNBMCT-UHFFFAOYSA-N 416.271 5.190 0 40 HKAB Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)c2ccccn2)cc1 30947775 BLALMOQIRJRYEQ-UHFFFAOYSA-N 419.937 5.871 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38834416 JXWAWYWWMZWKBL-FQEVSTJZSA-N 404.485 5.469 0 40 HKAB O=C(CN1CC=C(c2ccccc2)CC1)N1CCc2sccc2[C@@H]1c1cccs1 40020171 QSQXFUFQUDWOAV-XMMPIXPASA-N 420.603 5.073 0 40 HKAB COc1cc(-c2nnc(-c3cnc4onc(C5CCCC5)c4c3)o2)ccc1OC(C)C 71890661 CIFQDJGLSOWUDZ-UHFFFAOYSA-N 420.469 5.393 0 40 HKAB Cc1nn(C)c(C)c1[C@H](NC(=O)Nc1ccccc1Oc1ccccc1)C(F)(F)F 95446455 LXUCCFOXLXYKEE-IBGZPJMESA-N 418.419 5.254 0 40 HKAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@H](c4cccc(Cl)c4)C3=C(O)C2)cc1 102658954 TYTZQQUGMPFUTQ-YCRPNKLZSA-N 406.873 5.005 0 40 HKAB ClC1=C(Cl)[C@]2(Cl)[C@]3(Cl)C[C@](Cl)(C(Cl)=C3Cl)[C@]2(Cl)C1 104326961 IQSMWCVXFYYACT-QEYWKRMJSA-N 407.766 6.096 0 40 HKAB Nc1c(C(=O)Nc2cccc3ncccc23)sc2nc3c(cc12)CCCCCC3 215673607 ITBPKGRJRGSBFV-UHFFFAOYSA-N 402.523 5.338 0 40 HKAB Cc1cc(O[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)ccc1Cl 222842965 CYQMWVHICZFIBO-CYBMUJFWSA-N 416.345 5.258 0 40 HKAB O=C(Cc1ccc(Cl)cc1F)Nc1ccccc1SCc1ccc(Cl)cc1 223149844 HVTXHCCDZUROMM-UHFFFAOYSA-N 420.336 6.606 0 40 HKAB CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223342357 HDOAJHOHAZMUCM-AREMUKBSSA-N 418.581 5.563 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccccc1Cl 224480679 ZHWNBZXPGFFQEE-UHFFFAOYSA-N 423.896 5.773 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1cccc(OC)c1 224589867 JDXQOLRTPFOMET-UHFFFAOYSA-N 421.493 5.242 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(C)c3)o2)c(OC)c1 224931019 JSJFHQXJAKNEQD-UHFFFAOYSA-N 414.461 5.587 0 40 HKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 225044838 RDEADWXCHGCZCC-FGZHOGPDSA-N 422.613 5.383 0 40 HKAB CC1=C(C)C[C@H](C(=O)N2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)CC1 257336476 YOQLUVLYCMCBPV-HSZRJFAPSA-N 423.000 6.168 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCCC1 408573996 GVIRUMCZRZDKLN-PKNBQFBNSA-N 403.309 5.271 0 40 HKAB Cc1ccc(SCC(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 408714318 OGFGKSFRVBMPHI-UHFFFAOYSA-N 409.555 5.093 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1cccc(Br)c1)N2 408996843 FFVFSFYQIHMUFI-BAGYTPMASA-N 420.306 5.618 0 40 HKAB Clc1ccc(OCc2ccccc2)c(CNc2ccc(Oc3ccccc3)cc2)c1 409110963 HORCOEUEYRHIEJ-UHFFFAOYSA-N 415.920 7.323 0 40 HKAB CCOc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(C)cc2)cc1 409113425 ATVWIVJRKWRAOF-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB COc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 409375358 JOHWVIRJGLLSLQ-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB COc1cc(NC(=S)Nc2cccc(C(F)(F)F)c2C)c(OC)cc1Cl 642881948 JFHKBDRFTBYGTK-UHFFFAOYSA-N 404.841 5.493 0 40 HKAB Nc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2nc(-c3cccs3)ccc12 660287 MWYOEPKLGGYWEA-UHFFFAOYSA-N 419.453 5.878 0 40 HKAB aggregator O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 842047 ZPBGXHOHNJUREA-UJKMTWAASA-N 419.402 5.102 0 40 HKAB COc1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 1175873 XRLWCXWTLHBDDZ-CXUHLZMHSA-N 413.452 5.339 0 40 HKAB O=C(C1CCCCC1)N1CCc2cc(-c3csc(Nc4ccccc4)n3)ccc21 1337762 GDGXOBMDXQFXCW-UHFFFAOYSA-N 403.551 6.023 0 40 HKAB CC1(C)CN(c2ccc(-c3ccnc4c(-c5ccc(Cl)cc5)cnn34)cc2)C1=O 1383259 JBZOMYLUSPVFHO-UHFFFAOYSA-N 402.885 5.090 0 40 HKAB O=C(Nc1ccccc1)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1 1396479 KKIOVDFUNJWXPL-UHFFFAOYSA-N 407.684 5.109 0 40 HKAB C1CCCCCc2c(-c3noc4c3CCCCCCCCCC4)noc2CCCC1 1588249 ARRCPFJTONMPJR-UHFFFAOYSA-N 412.618 7.768 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Br)c2)N3)C1 2063294 BZYYKBSMMKFUII-YVEFUNNKSA-N 419.388 5.516 0 40 HKAB COc1ccc(CSc2nnc(-c3ccccc3OC)n2-c2ccccc2)cc1 2217972 JLPGQMCWHCSJJW-UHFFFAOYSA-N 403.507 5.244 0 40 HKAB CCCCc1nc2sc3c(SCCc4ccccc4)ncnc3c2c2c1CCC2 2362353 XKNSHRMKXBYKAL-UHFFFAOYSA-N 419.619 6.406 0 40 HKAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccc(Cl)cc4Cl)nnc32)cc1C 2400579 CKQGCYCGZQLUCU-UHFFFAOYSA-N 409.280 5.054 0 40 HKAB Cc1cc(/C=N/c2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)c(O)c([N+](=O)[O-])c1 3162671 WTJIVKAIJDZMCS-BHGWPJFGSA-N 421.840 6.129 0 40 HKAB CCN(CC)c1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(C)cc3)cs2)cc1 3189816 WPELYQVQOHNYCD-UHFFFAOYSA-N 424.595 5.092 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc3cccnc3s2)cc1C 4063078 RQBGGFLOWLUBPC-UHFFFAOYSA-N 409.898 5.581 0 40 HKAB O=C(COc1ccc2ccccc2c1)Nc1cccc(-c2nc3cccnc3s2)c1 4232427 JQQZWBOAEZXMPS-UHFFFAOYSA-N 411.486 5.529 0 40 HKAB CCOc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)ccc1O 4553446 CGKQMGBBBJTPAJ-VLIAUNLRSA-N 414.571 5.822 0 40 HKAB C[C@@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 4657371 KGBYAJFZJPIWCE-JIEKGTPASA-N 416.776 5.747 0 40 HKAB CCOC(=O)c1ccc(-c2ccc([C@H]3O[C@H]4CCCC[C@@H]4c4sccc43)o2)cc1 4784295 CRUCRXHYCUGCRX-XJABCFGWSA-N 408.519 6.331 0 40 HKAB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)c2ccc(Br)cc2)o1 4927361 KMSVFOLRYWWENZ-GFCCVEGCSA-N 403.301 5.171 0 40 HKAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)NC(c1ccccc1)c1ccccc1 5559211 RTTHXEVNZVAGNQ-UHFFFAOYSA-N 414.288 5.056 0 40 HKAB Cc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 5814422 ZVNZFXXZGJTNGK-XMMPIXPASA-N 402.519 5.022 0 40 HKAB CCN1/C(=C/C(=O)Nc2cccc(C(F)(F)F)c2)C(C)(C)c2c1ccc1ccccc21 6147162 UOWCBTCMLDULNZ-RCCKNPSSSA-N 424.466 6.499 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1Cc3ccccc3[C@@H]21 6277038 JLYGZQVAUKMGFP-HLAWJBBLSA-N 409.407 5.875 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)c3ccccc3n2)cc1 6304889 GAAYJVODUZTQNF-UHFFFAOYSA-N 411.461 5.121 0 40 HKAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc(Br)cc1 6494997 QCTLBAQBUTURDO-UHFFFAOYSA-N 402.100 5.618 0 40 HKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3)c(OCC)c2)cc1 6934859 YCMAJTQAMJWPRS-UHFFFAOYSA-N 420.509 5.114 0 40 HKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(OCc2ccccc2)cc1 7995947 KLVMQOZBIGHPEL-UHFFFAOYSA-N 400.503 5.950 0 40 HKAB CCOc1cc(CNCCc2ccc(F)cc2)ccc1OCc1ccccc1Cl 8254695 FYFZJRLGYUOIDX-UHFFFAOYSA-N 413.920 5.789 0 40 HKAB Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccco1)[C@@H]3c1ccc(Cl)cc1 8867712 HYCUCGVRJOMIHU-OAQYLSRUSA-N 419.864 5.402 0 40 HKAB Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccs2)c(C)c1 9462310 CXXOFUSTSDQRCR-UHFFFAOYSA-N 402.519 5.362 0 40 HKAB CCCOc1ccc(NC(=O)c2cc(OC)ccc2Br)cc1OCCC 9477918 VJFVXFODYIFPOF-UHFFFAOYSA-N 422.319 5.288 0 40 HKAB Cc1occc1-c1nnc(SCc2nc3ccccc3s2)n1Cc1ccccc1 9984862 RZSFNXIBUYGSKG-UHFFFAOYSA-N 418.547 5.797 0 40 HKAB Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1N1CCCCC1=O 10221003 GPIOHJXWTFBORM-UHFFFAOYSA-N 421.722 5.180 0 40 HKAB Cc1oc(-c2cccs2)nc1CSc1nnc(-c2ccco2)n1-c1ccccc1 11376257 QPWGNXHIVJYNKX-UHFFFAOYSA-N 420.519 5.845 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1I 12289815 GKZJLVVQCMVBBT-UHFFFAOYSA-N 406.050 5.159 0 40 HKAB CC1CCN(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 12569748 RQOLLRORHVJEKE-FMIVXFBMSA-N 405.929 5.464 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC(F)F)cc2)cc1 12600994 ICHPWTKGSWWOBH-JTHBVZDNSA-N 422.431 5.539 0 40 HKAB CCN(CC)C(=O)c1cccc(NC(=O)/C=C/c2csc(-c3ccc(F)cc3)n2)c1 16206636 VUYKQHLMCHEIQY-OUKQBFOZSA-N 423.513 5.083 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnc(-c3cccs3)o2)o1 16808757 XUAVCOSYOXZUJS-UHFFFAOYSA-N 423.479 5.104 0 40 HKAB Cc1ccc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1C 17083126 OYDYVSBPDKPVQF-UHFFFAOYSA-N 405.277 5.992 0 40 HKAB CC(C)Nc1ncc(-c2cccnc2)c(C2CCN(Cc3cc(F)cc(F)c3)CC2)n1 19450315 LGUXRTCQNHDEIQ-UHFFFAOYSA-N 423.511 5.017 0 40 HKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 20041300 SPICBVBOTSEANE-AUUYWEPGSA-N 404.963 5.378 0 40 HKAB S=c1sc2ccc(Cl)cc2n1CN1CCN(C/C=C/c2ccccc2)CC1 22036663 IEFAQOKOYKURJY-QPJJXVBHSA-N 416.015 5.374 0 40 HKAB CC(C)c1noc([C@H](C)Sc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)n1 24829555 NOKRENZBVLTEJN-AWEZNQCLSA-N 409.490 5.433 0 40 HKAB COc1ccc([C@H]2N=C(c3ccc(Cl)cc3)[C@@H]3[C@@H](c4ccccc4)N32)cc1OC 25586352 NFGMDTLOCXECTL-DMCRHAFWSA-N 404.897 5.284 0 40 HKAB O=C(Cc1csc(-c2ccsc2)n1)N1CCC[C@H]1c1nc2ccccc2s1 31391185 KZFQBADCLIGHHX-INIZCTEOSA-N 411.577 5.388 0 40 HKAB O=C1/C(=C/c2ccccc2)S[C@@]2(C(=O)Nc3ccccc32)N1c1ccc(Cl)cc1 32597818 ZTWUJARVEHKLFP-CBIIRDDDSA-N 418.905 5.266 0 40 HKAB CC[C@@H](NC(=O)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F)c1ccccc1 36616263 MYXXCLYEDBCGMP-OAQYLSRUSA-N 414.484 5.318 0 40 HKAB O=C(c1ccc(CN2CCCc3ccccc32)cc1)N1CCC(Cc2ccccc2)CC1 38755143 RYKKSGQXEHQOSP-UHFFFAOYSA-N 424.588 5.734 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](C)SC(c2ccc(F)cc2)c2ccc(F)cc2)c1 58027455 FXIZZFMKBKJCKV-QGZVFWFLSA-N 411.517 6.431 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 59960938 SKHDZSUPKFOTSX-UHFFFAOYSA-N 411.998 6.539 0 40 HKAB O=c1c2ccccc2nc(SCc2cccc(F)c2)n1Cc1ccccc1Cl 67258524 VGLGOBADJVXXOA-UHFFFAOYSA-N 410.901 5.530 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(Cl)cc2F)nc1 67294362 DABOXKXWJBISFS-ROMGYVFFSA-N 423.831 5.119 0 40 HKAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3[nH]ccc3c2)C12CCCC2 72324822 ZESYYKVHASWWGJ-HXOBKFHXSA-N 415.537 5.457 0 40 HKAB biogenic Cc1ccc(C)c(-c2csc(-c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)c1 94992621 LPIFLMAKKYNBPT-UHFFFAOYSA-N 410.498 5.895 0 40 HKAB Cc1[nH]c(-c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)nc1-c1ccccc1 95468290 MHUSBBBHURQHNU-UHFFFAOYSA-N 402.803 6.984 0 40 HKAB O=c1oc2cc(O)ccc2cc1-c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 169604719 VECRSUAMVVCESN-UHFFFAOYSA-N 400.821 5.429 0 40 HKAB Cc1ccc(S(=O)(=O)[C@H]2C(C)(C)[C@@]2(Sc2ccccc2)[Si](C)(C)C)cc1 195759543 QVDHHDKFQGJMOJ-FPOVZHCZSA-N 404.673 5.586 0 40 HKAB CCc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 197529522 GQSVQZIHQSLPQT-VWLOTQADSA-N 416.546 5.276 0 40 HKAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCS[C@H](c2ccccc2)CC1 206986805 RJDYYUVYSCZFDP-QHCPKHFHSA-N 401.531 5.238 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)ccc1Cl 223266847 SVFDTXCZFZKKGK-NSHDSACASA-N 408.310 5.226 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223373217 NLVZQRBVDHVLKN-VGOFRKELSA-N 417.977 6.124 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2cccc(OC)c2)cc1C 223793865 KUVVXDNNSVTBEJ-UHFFFAOYSA-N 411.885 6.100 0 40 HKAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 223866462 VCEFGKIJRXRLIQ-XZOQPEGZSA-N 418.566 5.271 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3cccc(Cl)c3)c2)cc1 224151290 DRQMBWNTWNTCSP-UHFFFAOYSA-N 423.940 6.523 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1cc(C)cc(C)c1 224194114 JESDEXFHEBCYCG-UHFFFAOYSA-N 413.876 5.936 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 225302678 KIFLUUFCGNJLNK-UHFFFAOYSA-N 415.533 6.175 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c(C)c1 225506240 CLYHCXFVXJZEHR-HSZRJFAPSA-N 418.562 5.556 0 40 HKAB CN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 225550584 ZHNCUVBYDVGADV-UHFFFAOYSA-N 400.950 5.121 0 40 HKAB O=C1CC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)Oc2cc(Cl)ccc21 225826700 OGOYAVQCFBKEMH-UHFFFAOYSA-N 405.281 5.025 0 40 HKAB CC(C)Oc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1 225867090 RKPYENDZQBBSNW-UHFFFAOYSA-N 422.516 6.249 0 40 HKAB COc1cccc2[nH]c(C(=O)N3CCCC[C@H]3c3ncc(Cc4ccccc4)o3)cc12 257230994 GETBHKAIBGWDCX-QFIPXVFZSA-N 415.493 5.123 0 40 HKAB CC(C)n1nccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257269967 MSFOOSCQQTUTHX-LJQANCHMSA-N 412.921 5.064 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(NCc1ccc(Cl)cc1)c1ccccc1 263621416 IZYNVHGCIOCYJS-VUZJQGPZSA-N 419.933 6.426 0 40 HKAB O=C(CSc1cccc2ccccc12)Nc1ccc(N2CCOCC2)c(Cl)c1 408544195 SYKBRWUVSGYIIT-UHFFFAOYSA-N 412.942 5.061 0 40 HKAB CCCc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(CC)c1-c1ccc(C)c(C)c1 408563680 WOHHMIOCDMOGAQ-BZZOAKBMSA-N 412.986 6.200 0 40 HKAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cc2ccccc2o1 409348691 OMRIVMQKYBKYCL-UHFFFAOYSA-N 404.322 6.310 0 40 HKAB CCOc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409379576 XXNNFMJRHBDPAD-UHFFFAOYSA-N 404.510 5.332 0 40 HKAB C[C@@]1(c2ccc(F)cc2)NC(=O)N([C@H](CCCc2ccccc2)c2ccccc2)C1=O 1615055988 YHZZBQBBEZNUDA-BVAGGSTKSA-N 416.496 5.357 0 40 HKAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccccc4C(F)(F)F)c(N)c3cc2C1 661858 AURMOROKQGKJQN-NSHDSACASA-N 419.472 5.665 0 40 HKAB Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccccc3Cl)C2)cc1 710104 LHZOBCWAGLSUDV-QFIPXVFZSA-N 410.926 5.188 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(I)cc2C)c1 851408 RMVAVDHTSBHCIS-UHFFFAOYSA-N 423.294 5.049 0 40 HKAB CCc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1 1413847 VVFVHABYWOLICX-UHFFFAOYSA-N 402.450 5.083 0 40 HKAB C[C@H]1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 2077778 WQLVFSAGQJTQCK-HOFADDDFSA-N 414.630 5.714 0 40 HKAB Cc1ccc(-c2csc3ncnc(SCc4ccc(C(C)(C)C)cc4)c23)cc1 2376955 OWHOABWWVQXPNN-UHFFFAOYSA-N 404.604 7.257 0 40 HKAB CCCn1nc(NC(=O)c2ccccc2Br)c2cc3cc(C)ccc3nc21 2385483 MNZOIPXCEFVDMK-UHFFFAOYSA-N 423.314 5.318 0 40 HKAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)cc1OC 2448672 SCUTXQRXFFYAIA-IGKWTDBASA-N 415.961 5.226 0 40 HKAB CC(C)OC(=O)NC(Sc1ccccc1)(Sc1ccccc1)C(F)(F)F 2689715 HIHVTDMIYIQPMO-UHFFFAOYSA-N 401.475 5.922 0 40 HKAB CCc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1 2739107 ZMQBPXZYAJUPRG-UHFFFAOYSA-N 421.327 7.023 0 40 HKAB Cc1cccc(OCc2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)c1C 2931017 TUBFQRQKDOYGPY-UHFFFAOYSA-N 405.479 5.246 0 40 HKAB O=C(Cc1ccccc1)c1ccc(Sc2ccc(C(=O)Cc3ccccc3)cc2)cc1 3139471 ZGHTZHRIWVXZET-UHFFFAOYSA-N 422.549 6.689 0 40 HKAB Cc1cccc(C)c1NC(=O)CCCSc1ncc(C(F)(F)F)cc1Cl 3323067 MGJCYFGRZXXDSN-UHFFFAOYSA-N 402.869 5.882 0 40 HKAB CC(C)CN(C(=O)/C=C/c1ccc(Cl)cc1Cl)c1nc2ccccc2s1 3434719 GXRAAOMSSVAJBO-CSKARUKUSA-N 405.350 6.306 0 40 HKAB CC[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1ccccc1 3443864 DUQAMTBBEURZDH-AWEZNQCLSA-N 405.338 5.779 0 40 HKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cccc(OCC(C)C)c1 4122446 FWJRBRTUCLYLEZ-UHFFFAOYSA-N 401.466 5.485 0 40 HKAB O=C(c1ccc(Cl)s1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 4273188 XUBOZTNJVVLZIX-UHFFFAOYSA-N 403.891 5.392 0 40 HKAB Cc1ccc(N(CC(=O)c2ccc(Oc3ccccc3)cc2)C2=NCCCS2)cc1 4618755 ULSDRBLHAJDFCY-UHFFFAOYSA-N 416.546 5.970 0 40 HKAB COc1ccc([C@@]23CCCC[C@H]2C2(CCCCC2)c2ccc(OC)cc2O3)c(O)c1 4653226 JXPMGTURKXGEGZ-AHWVRZQESA-N 408.538 6.089 0 40 HKAB Cc1ccc2oc(-c3cccc(NC(=O)COc4ccc(C(C)C)cc4)c3)nc2c1 4703896 SAKVXPGUAQTMMP-UHFFFAOYSA-N 400.478 5.944 0 40 HKAB COc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(OC)cc23)cc1 4970138 KMPGHYLGLDFYBO-UHFFFAOYSA-N 409.489 5.875 0 40 HKAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1cc(Cl)ccc1Cl 5152763 IDRRGTSFFRWANB-IBGZPJMESA-N 401.293 5.120 0 40 HKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)C2CCCCC2)n(C[C@@H]2CCCO2)c1C 5451459 RIBGTXLMDVCRCF-IBGZPJMESA-N 420.557 5.346 0 40 HKAB CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccc(C)cc1 5477823 ZESCRKSLVOLYKE-UHFFFAOYSA-N 408.571 5.302 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nc(-c3ccccc3)n[nH]2)c2ccccc2)c1 6178296 SUVBTDTWUFIPBC-NRFANRHFSA-N 414.534 5.561 0 40 HKAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)s1 6552683 GLJQWMLXGCUJQF-OAQYLSRUSA-N 422.529 5.190 0 40 HKAB Cc1ccc(NC(=O)C(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1 6566256 FBXNVEUHHMQKHC-UHFFFAOYSA-N 402.277 5.724 0 40 HKAB C[C@@H](OC(=O)c1ccc(F)cc1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 6590909 ZNJHKFQSLLWCMQ-OAHLLOKOSA-N 408.860 5.795 0 40 HKAB CCOc1ccc(-n2c(C)cc(/C=N/N(c3ccccc3)c3ccccc3)c2C)cc1 6617402 GQFTYWSBXTYXGK-VFCFBJKWSA-N 409.533 6.665 0 40 HKAB CCN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccc(OC)cc1 6630288 BBTMEBJIAFOJIL-ASAQIREPSA-N 419.550 5.855 0 40 HKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2=O)cc1Cl 8475426 DMNUNXMMYSLFNY-HNNXBMFYSA-N 418.880 5.539 0 40 HKAB O=C(O)[C@@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)Nc1cccc2ccccc12 8783141 HRFFRKOABNIECS-OALUTQOASA-N 412.898 5.226 0 40 HKAB C[C@@H](NC(=O)c1ccccc1Cc1ccccc1)c1nc2ccccc2n1C(F)F 9115194 JEMJEYQAXIIXPL-MRXNPFEDSA-N 405.448 5.513 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(-c2ccccc2)cs1 9245293 SFCUBRSUZKNVDF-UHFFFAOYSA-N 413.861 5.818 0 40 HKAB Cc1ccc2cc(CN(C(=O)c3cccs3)c3cccc(C)c3C)c(=O)[nH]c2c1 9280885 IEQYIOICZOCVOE-UHFFFAOYSA-N 402.519 5.362 0 40 HKAB Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccccc3Cl)c2c1 9499132 SUVNZUNRPAKSPE-UHFFFAOYSA-N 421.327 7.078 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 9514339 XTDZXFOPYUGQJV-GOSISDBHSA-N 416.999 6.186 0 40 HKAB COc1ccc(CNc2ncc(-c3cccc(Br)c3)n2C)c2ccccc12 9805799 FFWSFELNHHALIO-UHFFFAOYSA-N 422.326 5.624 0 40 HKAB CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@@H]3c2ccncc2)cc1 10215722 OQSFXQXBUVFXKX-RCZVLFRGSA-N 415.493 5.121 0 40 HKAB Cc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1Cl 10366875 ZTYPMGDWGBMOFS-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CC(C)c1ccc(CCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 10433909 QFTFTBUHONOOHZ-UHFFFAOYSA-N 410.410 6.099 0 40 HKAB O=S(=O)(Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1cccs1 11615796 RSIMBHHMQORXIY-UHFFFAOYSA-N 400.308 5.648 0 40 HKAB CCO[C@H](c1ccccc1)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1 12411221 ZUAFVQCRZKHAGL-JOCHJYFZSA-N 416.546 6.291 0 40 HKAB CCCCc1ccc(NC(=O)N2CCN(Cc3cc(Cl)ccc3OC)CC2)cc1 13324490 CZFCOONCONSVMJ-UHFFFAOYSA-N 415.965 5.041 0 40 HKAB Fc1ccccc1-c1nnc([C@@H](Nc2ccc(Br)cc2)c2ccccc2)o1 13364414 IVMKPUJYRDVCGP-IBGZPJMESA-N 424.273 5.840 0 40 HKAB CC(C)CCSc1nc2nc(-c3ccc4ccccc4c3)cc(-c3ccccc3)n2n1 13637441 CDKYYLPIOBCPMP-UHFFFAOYSA-N 424.573 6.750 0 40 HKAB CCCc1ccc(-c2nn(-c3ccccc3)cc2Nc2ncc(Cl)cc2Cl)cc1 15879670 ZHGLYLKLESIHQY-UHFFFAOYSA-N 423.347 6.937 0 40 HKAB COc1c(C)cc(Br)cc1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 17083360 RAWQJIKISXVSGE-JHMRYYBSSA-N 406.364 5.101 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1Br 17090947 RPLQWXGGRROBOB-UHFFFAOYSA-N 417.072 5.002 0 40 HKAB COc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1 17091895 SWDDMJNYBYBAGQ-UHFFFAOYSA-N 419.531 5.099 0 40 HKAB CCCN(CCC)c1nc(Nc2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1 17271730 JSCXLZLZNUPHBP-UHFFFAOYSA-N 420.948 5.839 0 40 HKAB Cc1c(CNC[C@@H](O)c2ccccc2)c2ccccc2n1Cc1ccccc1Cl 20476809 ZUKKDQQHQRVVSI-RUZDIDTESA-N 404.941 5.475 0 40 HKAB CCCCN(CCCC)CCN[C@H](c1ccc(Cl)cc1)c1ccc(OC)cc1 22859491 PDWJGSPICZTZEA-XMMPIXPASA-N 403.010 5.930 0 40 HKAB O[C@@H](CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccccc1F 31441887 AXUKZWIVUDNEFC-IBGZPJMESA-N 417.575 5.400 0 40 HKAB C[C@H]1CCN(C(=O)CN(C)[C@H](C)c2nc3ccccc3s2)c2ccccc2S1 36386078 NWRFJECEBYIJPQ-JKSUJKDBSA-N 411.596 5.207 0 40 HKAB Cc1nn(-c2ccccc2Cl)c(Cl)c1CNCc1ccccc1OC(F)F 40039054 YBLANLPXBLSSIK-UHFFFAOYSA-N 412.267 5.379 0 40 HKAB C[C@@H]1CCC[C@H](n2ccc3c(cnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)[C@@H]1C 40397287 PCXLVNOTVFFPJE-SXGZJXTBSA-N 406.917 5.362 0 40 HKAB COc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 40485282 LZHHFZFFEFIRLP-JOCHJYFZSA-N 405.881 5.401 0 40 HKAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)o2)c1C 59176150 YGZGYUIRBCWQAI-UHFFFAOYSA-N 411.527 5.120 0 40 HKAB CSc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(C)cn2)cc1 67294418 XDPZMZDZCQJGOZ-BZZOAKBMSA-N 417.490 5.048 0 40 HKAB COc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c1 67294897 GVMKZWYKJMMFPD-NMWGTECJSA-N 411.870 5.036 0 40 HKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1)C1CCC1 72215431 RNYWBNLBUCFFHW-QFIPXVFZSA-N 407.558 5.713 0 40 HKAB COc1ccccc1Cc1cccc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 72349055 WNPVQEKLUJMFDX-HSZRJFAPSA-N 414.549 5.020 0 40 HKAB O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1cc(Br)cs1 96103572 AVORTYVGMHHGJB-UHFFFAOYSA-N 415.268 5.121 0 40 HKAB Clc1cccc([C@@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3nnnn32)c1Cl 101227982 ZDQNXTXWNMDNMR-FQEVSTJZSA-N 420.303 5.703 0 40 HKAB CC(=O)O[C@H]1C[C@@H]2C[C@@H]1[C@@H]1[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 103910988 DOSRQPWOVOSXQH-BQACZUQUSA-N 424.966 5.036 0 40 HKAB C=CC(=O)Oc1ccc(-c2ccc(N(c3ccc(C)cc3)c3ccc(C)cc3)cc2)cc1 148702212 IEQVLJZUACQOCO-UHFFFAOYSA-N 419.524 7.532 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)cc1OCC 216266259 ZRMNDTAMCXLFCB-HNAYVOBHSA-N 405.922 5.172 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 218928722 PNULNXMPJSBJAG-UHFFFAOYSA-N 405.563 6.294 0 40 HKAB Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224158718 XTLHYQFMEUYORJ-BJKOFHAPSA-N 410.546 5.358 0 40 HKAB CCc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 224489754 ARWWUMRPUAPWDM-MRXNPFEDSA-N 419.396 5.645 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1)c1ccccc1 224961157 ZSNTXHVOALUEFH-FQEVSTJZSA-N 412.533 5.628 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(OCc2ccccc2)cc1 225369422 BSUABBAADJNOKV-UHFFFAOYSA-N 400.305 6.144 0 40 HKAB O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccccc2Cl)CCCC1 225525912 YAVDRSMIEKFWHB-UHFFFAOYSA-N 412.961 5.265 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C(=O)OC 225682917 RHSPSMDYBSEDNZ-MRXNPFEDSA-N 413.489 5.240 0 40 HKAB CC(C)c1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cc1 225843836 AHTOLVFKYMLXMX-UHFFFAOYSA-N 401.019 6.695 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1Cl 226348223 HXONLMTUASKWDW-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CC3CCCCC3)CC2)n1 257312636 UOXBPPFLTFZUQL-AQYVVDRMSA-N 406.574 5.207 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2cccc(Cl)c2)c1C 408694297 IPAAHOMCAFHMPZ-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)c1 408698592 OIBGTMVTCYFVSH-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(Cl)cc2)c(C)c1 408699504 UODDVBKKRIQKAC-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB O=C(CSCc1ccccc1Br)Nc1cccc(Br)c1 408779047 PTFSTAPELDTEMB-UHFFFAOYSA-N 415.150 5.084 0 40 HKAB COc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc(Br)c1OC 409112688 FWRNUSTXHRFRNJ-SXGWCWSVSA-N 416.315 5.010 0 40 HKAB CC[C@@H](C)n1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 409210915 LPQGECOZPDMNAF-XLTHYULKSA-N 410.926 6.507 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1C[C@H](C(C)C)O[C@@H]2C(C)C 524735021 ZLLLZZNKVKHPTF-RHSMWYFYSA-N 421.584 5.533 0 40 HKAB CC(C)CCCC(=O)[C@H]1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1 606451968 VEAJFPQMQJBQSR-OAQYLSRUSA-N 407.901 5.380 0 40 HKAB CC(C)(C)c1ccc(Oc2c(F)cc(C(F)(F)F)cc2F)c(Br)c1 1504250401 KLBHCSQGGDVWSN-UHFFFAOYSA-N 409.192 6.836 0 40 HKAB Cc1ccc(C(=O)N2CCCCCCCN(C(=O)CC(C)C)c3ccccc3C2)cc1 2037884942 KMMCAVKZBOPKGM-UHFFFAOYSA-N 420.597 5.981 0 40 HKAB CC(C)Cc1nc2sc3c(N4CCCCC4)ncnc3c2c2c1COC(C)(C)C2 658247 DIOIKXBIJPPCJL-UHFFFAOYSA-N 410.587 5.280 0 40 HKAB Nc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)sc2nc3c(cc12)CCCC3 691547 COEYMCQUAIDJNL-UHFFFAOYSA-N 415.518 5.802 0 40 HKAB Cc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 1380215 LQRDIEVDVWUFMC-HSZRJFAPSA-N 402.494 5.035 0 40 HKAB COc1ccc2nc(NC(=O)CCCOc3ccc(Cl)cc3Cl)sc2c1 1775909 WTIIZOPECKXHGT-UHFFFAOYSA-N 411.310 5.409 0 40 HKAB Clc1ccc(SC2=CC[C@H]3C[C@@H]2CC=C3Sc2ccc(Cl)cc2)cc1 2051104 JOVKNWKNQJSUOX-GJZGRUSLSA-N 405.415 8.076 0 40 HKAB Cc1ccc(-n2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)cc1C 2233188 FEHYHMQZFRXGIG-UHFFFAOYSA-N 422.488 5.130 0 40 HKAB CN(C)C(=O)c1ccccc1C(=O)OCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2271491 AVRPNMLNMGZVLQ-UHFFFAOYSA-N 411.542 5.046 0 40 HKAB CCCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC[C@@H]4C 2294299 MCERBAYYBXACEG-ZDUSSCGKSA-N 410.568 5.037 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)cc1OC 2315364 JUGRPQHTKYOIQP-UHFFFAOYSA-N 422.868 5.726 0 40 HKAB CCC(=O)c1c(-c2ccc(C)cc2)c2c3n(c(-c4ccc(F)cc4)cn13)CCCC2 2405910 WSZSLZRCZDQLMH-UHFFFAOYSA-N 400.497 6.451 0 40 HKAB FC(F)(F)c1ccc(N2CCOCC2)c(NC(=S)Nc2ccc(Cl)cc2)c1 2532759 UOWBGQGXJPMPEC-UHFFFAOYSA-N 415.868 5.004 0 40 HKAB COc1ccc(-c2nnc(SCc3csc(Nc4ccc(C)cc4)n3)o2)cc1 2619729 LRBRIHXEAFOQIG-UHFFFAOYSA-N 410.524 5.546 0 40 HKAB Cc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2cccnc2)c1 2722321 KSBBRQJXFJNZJF-UHFFFAOYSA-N 414.578 5.621 0 40 HKAB O=C(Cc1sc(-c2ccccc2Cl)nc1-c1ccccc1)NC1CCCCC1 3047528 ZIJIJMKLJAGWGA-UHFFFAOYSA-N 410.970 6.122 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1cccc(OC(=O)Nc2ccc(Cl)cc2)c1 3152297 VPMKOPBIYPDGJQ-UHFFFAOYSA-N 416.264 6.248 0 40 HKAB CC(C)CN(CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)CC(C)C 3220925 JCDATQYJRMAQLH-UHFFFAOYSA-N 400.950 5.124 0 40 HKAB O=C(Cc1cccc2ccccc12)Nc1nc(-c2cccc(Br)c2)cs1 3297138 ANSAEAPLHNUAFR-UHFFFAOYSA-N 423.335 5.907 0 40 HKAB COc1ccccc1-c1nnc(SCC(=O)c2ccc(C3CCCCC3)cc2)n1C 3410798 OXYCCMRTUCZGQJ-UHFFFAOYSA-N 421.566 5.513 0 40 HKAB Cc1ccc(N2C(=O)C[C@H](C(=O)NCc3ccc(Cl)cc3)[C@H]2c2cccs2)cc1 3437994 DJWAHKMPKKTARQ-UGKGYDQZSA-N 424.953 5.121 0 40 HKAB C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)o1 3613972 ZHQBVRLLYNDAGB-SCLBCKFNSA-N 400.931 5.675 0 40 HKAB C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 3669341 KISIWYKVWMQNCM-PIGMASFWSA-N 408.328 6.475 0 40 HKAB COc1ccccc1NC(=O)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl 5256160 KXEGHKXKILLNEL-HXUWFJFHSA-N 416.308 5.441 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 5384664 FBARRTMJWTXUEY-RORWEDLISA-N 424.610 5.773 0 40 HKAB Cc1ccc(SCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 5929927 HLTAOACKVIJPAO-UHFFFAOYSA-N 404.560 6.311 0 40 HKAB CC(C)c1ccc(OCc2nnc(SCc3ccc(Cl)cc3Cl)o2)cc1 6050056 ZJTNKQLWDRWRFI-UHFFFAOYSA-N 409.338 6.371 0 40 HKAB Fc1ccccc1-c1nnc(SCc2ccc(Cl)cc2)n1C1CCCCC1 6078674 LJZMAJXCDFGRTQ-UHFFFAOYSA-N 401.938 6.535 0 40 HKAB COc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1cccc2ccccc12 6202746 YTQMQMARIAVBBC-UHFFFAOYSA-N 405.563 5.835 0 40 HKAB Cc1ccc2[nH]c(C)c(CCN(Cc3ccccn3)C(=S)Nc3ccccc3)c2c1 6421579 JUQOELUSWUTIPY-UHFFFAOYSA-N 414.578 5.621 0 40 HKAB CCN(C(=O)c1cc2c(s1)-c1ccc(OC)cc1CC2)C12CC3CC(CC(C3)C1)C2 6550096 AWWPFPWUAWMSQC-UHFFFAOYSA-N 421.606 5.953 0 40 HKAB CCOc1ccc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)c3ccccc32)cc1 6758801 HEFJBFUSFOBJOG-LFVJCYFKSA-N 412.489 5.342 0 40 HKAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(-c2nc3ccccc3s2)o1 7437216 WDHBXARAJGMQHC-UHFFFAOYSA-N 417.534 5.082 0 40 HKAB COc1ccc(CNC(=O)[C@H](C)Sc2ccc(Cl)c(C(F)(F)F)c2)cc1 7679856 BLQBPKDUQFTZSD-NSHDSACASA-N 403.853 5.164 0 40 HKAB Clc1ccc(-c2noc(CN(Cc3cccs3)Cc3cccs3)n2)cc1 7688606 JYQJVMSWJDPXOK-UHFFFAOYSA-N 401.944 5.715 0 40 HKAB Cc1cc(CSc2nnc(COc3ccc(Cl)cc3)n2-c2ccccc2)no1 8728269 TVKYTSWXRTYUJM-UHFFFAOYSA-N 412.902 5.088 0 40 HKAB O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C1=Cc2ccccc2OC1 8753713 YOVIOHHWCXFUIC-UHFFFAOYSA-N 417.317 5.455 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1cc2ccccc2o1 8830802 HETUKNYHNJSTIZ-UHFFFAOYSA-N 423.255 6.800 0 40 HKAB aggregator CCOc1ccccc1-c1csc(NC(=O)c2sc(-c3ccccc3)nc2C)n1 8844212 RYCZXVGEOSRAHR-UHFFFAOYSA-N 421.547 5.893 0 40 HKAB COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)c(C)s2)c(OC)c1 8951821 XGLNTJSTAJNSJW-UHFFFAOYSA-N 423.321 5.695 0 40 HKAB CCCCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(F)cc2)n(C)c2ccccc12 9355552 RZVFJSYGDXEDFC-SANMLTNESA-N 412.508 6.330 0 40 HKAB COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccccc2C)cc1 9427764 QNLORXNZOMGUBL-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccs2)cc1 9461728 LSSMAZREOYFANP-UHFFFAOYSA-N 418.518 5.144 0 40 HKAB O=c1c2c(C3CC3)csc2nc(SC[C@H](O)c2ccccc2)n1-c1ccccc1 10202102 FFLVQAULXBPDGZ-IBGZPJMESA-N 420.559 5.150 0 40 HKAB COc1ccc(-c2nsc(NC(=O)c3oc4cc(C)c(Cl)cc4c3C)n2)cc1 12111362 KFSCDRXSQCWLFV-UHFFFAOYSA-N 413.886 5.482 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12785859 DFBJPLUIOFPJJG-UHFFFAOYSA-N 416.308 5.072 0 40 HKAB C[C@H](c1nc2ccccc2n1C(F)F)N1CCC(c2nc3ccccc3s2)CC1 12886322 VJQKVNSUQIAWFT-CQSZACIVSA-N 412.509 5.982 0 40 HKAB CCOc1c(Br)cc(C(=O)N[C@H](C)c2cc3ccccc3o2)cc1OC 12906079 CVVBAIHNBCDZOM-GFCCVEGCSA-N 418.287 5.094 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1sc2cc(Cl)ccc2c1Cl 13371947 TVKWRLGYORGZLB-UHFFFAOYSA-N 414.313 7.253 0 40 HKAB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc2[nH]c(=O)[nH]c2c1 16383938 ZKUXUXJHHCAANN-RMKNXTFCSA-N 414.248 5.075 0 40 HKAB Cc1ncc(-c2ccncc2)c(CN(Cc2ccccc2)C(=O)CCc2ccccc2)n1 19286999 BUFFRMNBXMYISD-UHFFFAOYSA-N 422.532 5.009 0 40 HKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1 21580705 HGOWXEGPOQKZGQ-MRXNPFEDSA-N 415.493 5.668 0 40 HKAB Fc1ccc(CNc2nnc(SCc3cc(Cl)c4c(c3)OCCO4)s2)cc1 21731682 NRXZUEUXDZXMFL-UHFFFAOYSA-N 423.922 5.006 0 40 HKAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCSCc3cccc(Cl)c3)cc2)C1 22510269 PDLVYAJZIQIWNL-SFHVURJKSA-N 417.018 5.235 0 40 HKAB Cc1ccc2occ(CC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 24193207 VOQRCUKEJQSGNF-UHFFFAOYSA-N 424.544 5.218 0 40 HKAB CCOc1ccc(-n2c(SCc3nc(C(C)C)no3)nnc2-c2ccccc2)cc1 24983833 XMFYYJWDWUEQTO-UHFFFAOYSA-N 421.526 5.132 0 40 HKAB Cc1ccc(-c2ccsc2C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 26390643 OWUIPBPAASTURH-QGZVFWFLSA-N 402.523 5.137 0 40 HKAB CCCSc1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1 27794472 SFGOPMDNAXUHIM-UHFFFAOYSA-N 406.536 5.508 0 40 HKAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1CCc1ccccc1 28189543 DUFRHACGNILBKK-UHFFFAOYSA-N 417.534 5.246 0 40 HKAB O=c1c2ccccc2nc(/C=C/c2csc(-c3ccccn3)n2)n1-c1ccccc1 40139683 MQVUPWHLWSAXKU-BUHFOSPRSA-N 408.486 5.075 0 40 HKAB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@H](C)c1ccccc1F 40143404 MCPSFNLIEWYIII-CYBMUJFWSA-N 400.450 5.078 0 40 HKAB COc1ccc(-n2c(SCc3ccc(C)cc3)nc3ccccc3c2=O)c(OC)c1 67258884 IURUTEATSVGJQK-UHFFFAOYSA-N 418.518 5.004 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cccc(C(C)C)c3)oc12 67293452 YJNMTUJCSUOGSJ-RFBIWTDZSA-N 413.477 5.445 0 40 HKAB Cc1cc(Cl)ccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1C 67297044 MFVPKSYRIKCWQM-PNHLSOANSA-N 402.881 6.188 0 40 HKAB CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)SC1=Nc2ccccc2CS1 84001958 MNIASSZNGDOTLK-CYBMUJFWSA-N 410.520 5.630 0 40 HKAB O=C(Cc1csc(-c2ccsc2)n1)Nc1nc(-c2ccc(Cl)s2)cs1 84445397 UDAIPBXFKIKLKE-UHFFFAOYSA-N 423.997 5.891 0 40 HKAB Cc1ccccc1-c1nc(C)c(CNC(=O)Cc2ccc(Br)cc2)s1 96102823 OOHFNGFJRIWQMO-UHFFFAOYSA-N 415.356 5.048 0 40 HKAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](Sc1nc(-c3cccs3)cc(C(F)(F)F)n1)C2=O 100970340 COOAKWGUDOUYCP-QEIWDELWSA-N 412.502 5.710 0 40 HKAB C[C@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)[C@@H]1C[C@H]2CC[C@H]1C2 103961966 BVAJBDQPCQRYPJ-ZZTDLJEGSA-N 414.549 5.882 0 40 HKAB CCOc1cccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c1 106712095 WQHWNMIRXALITO-YVLHZVERSA-N 408.306 5.629 0 40 HKAB O=C(NCCSc1ccccc1)c1ccc(OCCSc2ccccc2)cc1 216436001 FSZNKPMDWVZHOD-UHFFFAOYSA-N 409.576 5.380 0 40 HKAB Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2)c(C)c1 223150344 PFFWTGCIWRBLNG-IDISGSTGSA-N 413.561 5.855 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1C(C)C 223385773 GJNXQUQBACZMBI-FQEVSTJZSA-N 419.569 5.480 0 40 HKAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 224177317 IQYHOJXKVXPMJV-VWLOTQADSA-N 416.565 5.024 0 40 HKAB COc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1cc(C)cc(C)c1C 224275939 PXPOONYAHSSENU-UHFFFAOYSA-N 403.522 6.069 0 40 HKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C2CC2)c1C 224559313 GTLXBVRJSWPICG-DHIUTWEWSA-N 418.566 5.021 0 40 HKAB COc1ccc(NC(=S)NCCSCc2cccc(Cl)c2)c2cccnc12 225301450 XXAFJYZHRVWBPK-UHFFFAOYSA-N 417.987 5.117 0 40 HKAB CCOC(=O)c1cc(NC(=S)N[C@H](CC)c2ccc(C)c(C)c2)ccc1Cl 225711849 IMAUYZSAJXHZFN-LJQANCHMSA-N 404.963 5.571 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C(F)(F)F 225773120 FTLSQMWFUGPIRL-UHFFFAOYSA-N 407.432 5.099 0 40 HKAB Cc1ccc(OC[C@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1C 225781008 SALSTHZEIOLMOD-IBGZPJMESA-N 423.940 5.733 0 40 HKAB O=C1CC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)Oc2ccc3ccccc3c21 225824448 XXCGTWHWOLYQMD-UHFFFAOYSA-N 420.896 5.525 0 40 HKAB Fc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)c(F)c1 225857197 RWAZCAHEEKFLHS-UHFFFAOYSA-N 400.416 5.740 0 40 HKAB Fc1ccc(NCc2ccc(OCc3ccc(Br)cc3)cc2)cc1Cl 408604662 DRQZAHDYWITHNW-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB O=C(Nc1cccc2ccccc12)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 408696545 ANIKEHJXRQIZPC-UHFFFAOYSA-N 408.436 5.479 0 40 HKAB Cc1ccccc1NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 409114185 DGNFFEIJIHOEOG-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1Cl 409117082 WLQHKJBUTAGCSA-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)C1=O 409374483 QVUROYHWNBNPEZ-GEEUODSKSA-N 420.534 5.233 0 40 HKAB CCOc1cccc(C(=O)N2CCCCCCCCN(C(C)=O)c3ccccc3C2)c1 643553315 LCQZNFCAVCNMMU-UHFFFAOYSA-N 422.569 5.435 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F 722736 RZUXSIDXSYVQKC-UJKMTWAASA-N 419.402 5.102 0 40 HKAB C[C@@H](CC(=O)Nc1ccc(N2CCCC2)c(C(=O)N2CCCCC2)c1)CC(C)(C)C 747098 HITXQJXLJZLDJT-IBGZPJMESA-N 413.606 5.314 0 40 HKAB O=C(CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)c1c[nH]c2ccccc12 1332709 UNBXDYRMLQLAEE-UHFFFAOYSA-N 419.575 5.904 0 40 HKAB Cc1cc2nc(CCN(C(=S)NCc3ccccc3)C3CCCC3)[nH]c2cc1C 1360826 KOLLSHJUCHRNTK-UHFFFAOYSA-N 406.599 5.042 0 40 HKAB CCOc1ccc(-c2c[n+](-c3cccc(C(F)(F)F)c3)c3n2CCCCC3)cc1 1468148 FMICAYOGEMYUAT-UHFFFAOYSA-N 401.452 5.576 0 40 HKAB CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(Oc2ccccc2)cc1 1913381 LHSXNTHFTCTIFK-UHFFFAOYSA-N 402.425 6.087 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1 2050795 CZWJJMAFNNKRHR-UHFFFAOYSA-N 422.484 6.689 0 40 HKAB CCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(F)cc1)Nc1ccccc1-2 2073632 LWCMIDRNQCCTND-FQEVSTJZSA-N 410.518 5.853 0 40 HKAB CCCCCCOc1ccccc1/C=C/[C@@]12NC(=O)CCN1c1ccccc1C2(C)C 2452050 URJQUBCHXVEETL-DRTHVRHMSA-N 418.581 5.673 0 40 HKAB Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 3221565 RMYFWQPJUCBPJL-AWEZNQCLSA-N 413.153 5.038 0 40 HKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)C1(c2ccc(F)cc2)CCCC1 3299278 CCRAGRVOYZHXKE-UHFFFAOYSA-N 416.521 6.553 0 40 HKAB Fc1ccc(-c2csc3ncnc(OCCOc4ccccc4Cl)c23)cc1 3301578 CJINVLPYJIOLLR-UHFFFAOYSA-N 400.862 5.609 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(-c3ccco3)o2)c2ccccc2)c1 3356356 FQQHRQAZYFWUFM-IBGZPJMESA-N 405.479 5.419 0 40 HKAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(Cl)c(NC(=O)c2cccs2)c1 3432501 IZPLEIYHTRYBRY-SFHVURJKSA-N 410.926 5.461 0 40 HKAB Cc1ccc([C@@]23C[C@@H](C)Sc4ccccc4N2C(=O)[C@@H]3Oc2ccccc2)cc1 4659005 CLEPDLDNNVKAJL-FMNCTDSISA-N 401.531 5.569 0 40 HKAB CC(=O)O[C@@H](C(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@H]1C)c1ccccc1 4674106 VVLNDNHZGBIEPT-FMNCTDSISA-N 414.505 5.269 0 40 HKAB Cn1c(SCc2ccc(F)cc2)nnc1-c1ccc(NC(=O)c2ccccc2)cc1 4703574 SDIDBRNCKRXCCK-UHFFFAOYSA-N 418.497 5.166 0 40 HKAB COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 4816714 YATZGNAQYOJECJ-NHCUHLMSSA-N 424.932 5.054 0 40 HKAB CC1(C)C[C@]2(CCO1)Oc1ccccc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 4993477 AVZYOQDMLQOKRW-LSYYVWMOSA-N 424.544 6.182 0 40 HKAB CCOC(=O)c1c(NC(=O)CCSc2ccc(Cl)cc2)sc2c1CCC2 5191816 VRFXPWNSVDDQMQ-UHFFFAOYSA-N 409.960 5.188 0 40 HKAB O=C(Nc1sc2ccccc2c(=O)c1-c1cccc(Cl)c1)c1ccccc1F 5322021 LXUPOKCBZOAUPG-UHFFFAOYSA-N 409.869 5.973 0 40 HKAB O=C(OCc1cc2ccccc2nc1Cl)c1ccc(NC(=O)c2ccco2)cc1 6607777 IENHIQSYBKGORN-UHFFFAOYSA-N 406.825 5.091 0 40 HKAB Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3CCC3CCCCC3)CC2=O)c1 7278100 SQZYTSAUSCUUDK-QFIPXVFZSA-N 415.581 6.144 0 40 HKAB COc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C(C)C 7361064 ZVDDUMKLQZZXBE-UHFFFAOYSA-N 411.523 5.198 0 40 HKAB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1 7375669 KVMADDGWUPWKAD-FMIVXFBMSA-N 400.305 6.306 0 40 HKAB CCc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)cc1 8085278 UYQVWJZUJCPYKW-UHFFFAOYSA-N 406.489 5.697 0 40 HKAB Fc1cccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)c(-c3ccccc3)[nH]2)c1 8426389 PPCSWBFMPHSPCU-UHFFFAOYSA-N 420.512 7.918 0 40 HKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 8477982 HZTYTKPBRRAYCD-KRWDZBQOSA-N 407.897 5.594 0 40 HKAB O=C(CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2)NCc1cccs1 8519277 NCOGPAOITYCEAK-UHFFFAOYSA-N 415.539 5.521 0 40 HKAB Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)Nc2ccccc2C)n1 9250095 CCAPJNQHZQZSAS-UHFFFAOYSA-N 419.550 5.298 0 40 HKAB Cn1c(NC(=O)c2ccccc2)c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc21 9327917 KQJFXEUQSAGWNK-UHFFFAOYSA-N 422.406 5.477 0 40 HKAB CC1(C)Cc2nc(-c3ccccc3)nc(SCC(=O)c3ccc(Cl)cc3)c2CO1 9448891 ONLIDVDAIAQHIS-UHFFFAOYSA-N 424.953 5.623 0 40 HKAB CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1SCc1ccccc1Cl 9614952 YLFWMQDXOHSDRO-UHFFFAOYSA-N 414.962 5.042 0 40 HKAB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)Nc1cc(F)ccc1F 9632650 DSFPUARULOKVDT-UHFFFAOYSA-N 424.428 5.037 0 40 HKAB CCOc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(F)cc23)cc1 9676127 WFMWLJILFGDTNR-UHFFFAOYSA-N 417.871 6.432 0 40 HKAB COc1ccc(-c2csc(NC(=O)CCCSc3ccc(F)cc3)n2)cc1 10218089 ZKGHDJJVZHAVKZ-UHFFFAOYSA-N 402.516 5.469 0 40 HKAB Cc1oc2c(C)c3oc(=O)c(CC(=O)NCc4cccc(Cl)c4)c(C)c3cc2c1C 11867433 JJVIBDAIKHICBK-UHFFFAOYSA-N 423.896 5.285 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](N[C@@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 12628818 PHLYOGOQMXAWIW-LVXARBLLSA-N 424.548 5.520 0 40 HKAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3)[nH]2)c(C)n1CCc1cccs1 13163266 ZELDTMFNWFQMKE-UHFFFAOYSA-N 422.579 5.169 0 40 HKAB O=C(Nc1cc2c(cc1Br)OCCO2)c1ccccc1Cc1ccccc1 14118987 FBSNCKSSMWLMDE-UHFFFAOYSA-N 424.294 5.063 0 40 HKAB O=C(OCc1nccn1C(F)F)c1ccccc1Nc1cccc(C(F)(F)F)c1 14852309 IKCPWBUWGHHYIU-UHFFFAOYSA-N 411.330 5.398 0 40 HKAB Cc1c(Cl)cccc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 17088697 CGUGTWXLENPQTA-UHFFFAOYSA-N 410.926 5.354 0 40 HKAB COc1ccc(CCC(=O)N2CCC[C@H](c3ccc(Cc4ccccc4)cn3)C2)cc1 19688159 FVVKDJHGOULCBB-DEOSSOPVSA-N 414.549 5.020 0 40 HKAB CCc1nnc2n1C[C@H](c1ccc(NC(=O)c3oc4ccc(C)cc4c3C)cc1)CC2 19699135 ZXICGLOSUJLGMV-GOSISDBHSA-N 414.509 5.186 0 40 HKAB COc1ccc(Cl)cc1-c1nnc(SCc2nnc(-c3cccc(C)c3)o2)o1 19929151 AKCIJTNXUFLOPC-UHFFFAOYSA-N 414.874 5.049 0 40 HKAB CCc1ccccc1O[C@H](C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 20111584 CMWZCPXSRSPFFY-CQSZACIVSA-N 412.382 5.373 0 40 HKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4cccc5ccccc45)cc3n2)cc1 20610583 LWMBYTRRSJMSOE-UHFFFAOYSA-N 406.489 5.949 0 40 HKAB CCOc1ccc(Oc2ccccc2NC(=O)CSc2nc(C)cc(C)n2)cc1 21049084 OJHMERIHZJUXBY-UHFFFAOYSA-N 409.511 5.015 0 40 HKAB CCn1cc(C(=O)Nc2cccc(Cl)c2C)c(=O)c2cc(C(F)(F)F)ccc21 22236769 LTQZGVZJXLTAOZ-UHFFFAOYSA-N 408.807 5.254 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@H](NCc1ccccc1CN1CCCC1)c1ccccc1 23968029 OETZGQLGDLCTNX-HHHXNRCGSA-N 423.560 5.478 0 40 HKAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1cc(C2CC2)nn1-c1ccccc1 29922766 ZKGOQCQCEWWMHX-UHFFFAOYSA-N 422.532 5.067 0 40 HKAB C[C@@H](Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1nnc(-c2ccccc2)o1 32853707 OMCHXHRNJRIXQB-MRXNPFEDSA-N 421.447 6.102 0 40 HKAB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CCCC[C@@H]12 33429009 SMLTWUCDEBEXBR-IFMALSPDSA-N 414.336 5.318 0 40 HKAB CCCCCOc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)c2ccccc12 36627038 KPORQZTVHSAHJI-UHFFFAOYSA-N 408.523 5.304 0 40 HKAB CCOc1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 38834358 KNYBAZAKGHRXOW-UHFFFAOYSA-N 407.341 5.243 0 40 HKAB COc1ccc(-c2cc(=O)[nH]c(SCc3nc(-c4cccc(C)c4)oc3C)n2)cc1 45924902 GCRKLVXVPWAMJH-UHFFFAOYSA-N 419.506 5.010 0 40 HKAB O=C(Nc1ccccc1)c1ccc(CN(Cc2cccs2)C[C@H]2CCCO2)cc1 57273683 FOOBTUKRBSHMKG-JOCHJYFZSA-N 406.551 5.182 0 40 HKAB CCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(Br)c2)cc1 59483708 NBSDFMRXTQAYDQ-NRFANRHFSA-N 407.311 5.783 0 40 HKAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccc(C)cc2)o1 71844271 PQVPJOHMLZMOHU-GOTSBHOMSA-N 402.538 5.767 0 40 HKAB CCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(C(F)(F)F)cc2)cc1Cl 72329335 NLEFVCLIJKUALV-UHFFFAOYSA-N 423.822 5.078 0 40 HKAB COc1cccc(C(=O)N2CCC[C@H](c3cc(-c4cccc(OC)c4)cc(C)n3)C2)c1 72370052 MHWAHLIZZAWRJP-NRFANRHFSA-N 416.521 5.094 0 40 HKAB CC1(C)CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H](c3cccnc3)C2=C(O)C1 104006076 GQNGLKFUEPRHLQ-IBGZPJMESA-N 415.415 5.436 0 40 HKAB CO[C@@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCCC(C)C)[C@H]12 118932521 WCLAESSRAKSOIR-JEPZXVLISA-N 416.690 7.014 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 216448718 UPLAGXQMUOHKMS-LJQANCHMSA-N 407.819 6.308 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 219391056 WFCXWDMSRPUEAV-GOSISDBHSA-N 415.946 5.228 0 40 HKAB O=C(NCCOc1cccc2ccccc12)c1ccc(CSc2ccccc2)cc1 223508584 WLENOLWPGIYOKG-UHFFFAOYSA-N 413.542 5.941 0 40 HKAB Cc1ccc(OCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1Cl 224182629 XRPPNZWOFOENFR-UHFFFAOYSA-N 418.773 5.384 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1CSc1ccccc1 224325151 XGLKTJMNHVBRIE-UHFFFAOYSA-N 418.345 6.547 0 40 HKAB Cc1cc(-n2cccc2)cc2nc(-c3cccc4c(Br)cccc34)oc12 226246749 GZGPTDKUOWMUPW-UHFFFAOYSA-N 403.279 6.510 0 40 HKAB O=C(O)c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)o1 226302795 NJQOMQQGBKFLTD-UHFFFAOYSA-N 401.300 5.875 0 40 HKAB Cc1cccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1C 409114764 JEOGPHZKJMUZPQ-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB Cc1cccc(OCc2nn(CC(=O)Nc3cccc(Cl)c3Cl)c(=S)o2)c1 409156616 LAIIRBLCZIUDPW-UHFFFAOYSA-N 424.309 5.039 0 40 HKAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)c1 409234404 WKEAJNFLYZIDGG-FYJGNVAPSA-N 422.937 5.984 0 40 HKAB CCCc1nc(COc2ccc(C)c(C)c2)c(C(=O)O)cc1-c1ccc(Cl)cc1 585265445 QEGFXPKNURJCBK-UHFFFAOYSA-N 409.913 6.249 0 40 HKAB C[C@H]1CC[C@H](c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1 1529084355 WYVGOSUDBSSDLC-HDJSIYSDSA-N 412.440 5.637 0 40 HKAB Cc1ccc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)nsc23)cc1C 896170 VNWXFNUNUNRYBJ-UHFFFAOYSA-N 424.526 5.240 0 40 HKAB COc1ccccc1NCC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 949894 CVNMPHJHHKNLQI-UHFFFAOYSA-N 422.337 5.100 0 40 HKAB CCOC(=O)c1cnc2cc(-c3ccc(Br)cc3)nn2c1-c1ccccc1 1095396 OKDOBAJOJBPDSX-UHFFFAOYSA-N 422.282 5.003 0 40 HKAB Cc1cccc2c(SCC(=O)N3CCC(C)CC3)nc(-c3ccc(F)cc3)nc12 1367644 PFJKBSBSNBKCDD-UHFFFAOYSA-N 409.530 5.095 0 40 HKAB COc1ccc(-c2nc3ccc(Cl)cn3c2NCc2ccc3c(c2)OCO3)cc1 1376147 DKTJSXPPQSCJDD-UHFFFAOYSA-N 407.857 5.004 0 40 HKAB Cn1c(S(=O)(=O)Cc2ccc(Cl)cc2)nc(-c2ccccc2)c1-c1ccccc1 1388792 HZXNSWCKBWQEIH-UHFFFAOYSA-N 422.937 5.381 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(Cl)c(Cl)c1 1840256 BXVODQFOXSSNKA-UHFFFAOYSA-N 403.231 5.865 0 40 HKAB CCCCN(CCCC)CCCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@H]12 1873743 JZPFBQTVTHEIAT-HLMLHLEXSA-N 418.666 5.327 0 40 HKAB biogenic CCCCSc1nnc2c(n1)O[C@H](c1ccccc1OCC)Nc1ccccc1-2 2083776 MRHHGOXKQPWSBD-HXUWFJFHSA-N 408.527 5.333 0 40 HKAB Cc1c2occ(-c3ccc(Br)cc3)c2cc2c3c(c(=O)oc12)CCCC3 2121298 CMWWQNFMTXTBPZ-UHFFFAOYSA-N 409.279 6.156 0 40 HKAB biogenic CCCCCCOC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc12 2355853 QLCDFDOCMGQCIT-UHFFFAOYSA-N 416.525 5.510 0 40 HKAB Cc1sc2nc(SCC(=O)c3ccc(-c4ccccc4)cc3)n(C)c(=O)c2c1C 2370772 JZCJIMPJGODDCI-UHFFFAOYSA-N 420.559 5.254 0 40 HKAB COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)cc1 2951208 GNYUATGGJKBJAJ-NMWGTECJSA-N 411.870 5.036 0 40 HKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1cccc(OC(=O)c2ccccc2F)c1 2989904 DDLRWKLUZHGWNL-MOSHPQCFSA-N 421.811 5.043 0 40 HKAB COc1ccc(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)c3ccccc3n2)cc1 3216214 DGUMLMYSFDISSN-DEOSSOPVSA-N 408.501 5.718 0 40 HKAB COc1ccc2c(-c3ccccc3)cc(SCc3c(F)cccc3Cl)nc2c1 3342869 XNISBALJALNJBJ-UHFFFAOYSA-N 409.913 6.995 0 40 HKAB CCCCCCOc1ccc(/C=C/C(=O)Nc2c(CC)cccc2CC)cc1OC 4043403 GWEIZLNPNCMJPV-BMRADRMJSA-N 409.570 6.431 0 40 HKAB CSc1ccc(-c2nnc(NC(=O)c3sc4ccccc4c3Cl)o2)cc1 4585613 CBHOGFHXDRIAPD-UHFFFAOYSA-N 401.900 5.579 0 40 HKAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2cccc(C)c2)n2c(nc3ccccc32)N1 4742049 ABBJJBHXBHIYKL-XMMPIXPASA-N 408.505 5.581 0 40 HKAB CCCOc1ccc([C@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4855911 SOMMUXBZFUINMP-AZGAKELHSA-N 414.505 5.726 0 40 HKAB CCCCCOC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 5156050 AJHKQPVQPDCCRZ-UHFFFAOYSA-N 422.916 5.215 0 40 HKAB O=C(O)O[C@@]1(CC2c3ccccc3-c3ccccc32)C(F)=C(F)C(F)=C(F)[C@@H]1F 5225943 YQCQZAIPKWXXJX-GHTZIAJQSA-N 408.322 6.275 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc4ccccc34)cc2)cc1 5284309 HDVBIEOSMZEEJE-UHFFFAOYSA-N 422.528 6.642 0 40 HKAB Cc1ccc(Nc2nc(CSc3nnc(Cc4csc(C)n4)o3)cs2)cc1 5362956 UNAWVNHIUYQJPE-UHFFFAOYSA-N 415.569 5.226 0 40 HKAB Cc1nn2c(N[C@@H](C)c3ccccc3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 5574684 YBNJXUWIYWJXMI-INIZCTEOSA-N 418.972 6.829 0 40 HKAB CC(C)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 5977312 WYHWPJHNLZWVTL-XMMPIXPASA-N 420.534 5.430 0 40 HKAB Cc1nc(SCC(=O)NCc2cccs2)c2cc(-c3ccccc3)sc2n1 6114395 FLSMCUBVKILJMS-UHFFFAOYSA-N 411.577 5.137 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 6418488 MOQKXEDXIVZOGN-UHFFFAOYSA-N 404.510 5.332 0 40 HKAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)c1nnc(-c2cccs2)o1 6851587 PUWBPBQHHDKGHT-JTQLQIEISA-N 401.542 5.306 0 40 HKAB CCCN(CCC)c1nc(Nc2ccc(F)cc2)c2cnn(-c3ccccc3)c2n1 7452125 NPMDVSLSDOFPAP-UHFFFAOYSA-N 404.493 5.325 0 40 HKAB CC(=O)c1ccc(OCC(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 7688802 SHQALRSMVWPMKH-UHFFFAOYSA-N 402.475 5.183 0 40 HKAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2cc([N+](=O)[O-])ccc2Cl)S1 8277417 RBWRHEPGGABCTA-OVCLIPMQSA-N 408.266 5.102 0 40 HKAB Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)c1 8664942 UZIZZKLSGUEQKD-QFIPXVFZSA-N 414.436 5.002 0 40 HKAB Cc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O 8752548 WHMMPTODCRAAMY-LJQANCHMSA-N 415.924 5.567 0 40 HKAB CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc2c1 8780868 VKCUWKVJOSZAOS-UHFFFAOYSA-N 421.294 6.072 0 40 HKAB O=C(CSc1nnc(C(c2ccccc2)c2ccccc2)o1)Nc1ccc(F)cc1 9199909 JHBNMKOODNWKNY-UHFFFAOYSA-N 419.481 5.120 0 40 HKAB O=C(Nc1ccc(Br)cc1Br)c1cccc(C(F)(F)F)c1 9585236 KNYMQLRBAYFEQO-UHFFFAOYSA-N 423.026 5.483 0 40 HKAB COc1cccc(-c2[nH]c3ccccc3c2[C@H]2C(C)=C(C)C(=O)N2Cc2ccco2)c1 9668423 MTVPMXLOYDTZNZ-RUZDIDTESA-N 412.489 5.856 0 40 HKAB C[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)c1ccc(Br)cc1 9877250 OXYIIQQFJFTJIA-JTQLQIEISA-N 423.719 5.516 0 40 HKAB CSc1ccccc1NC(=O)CN(C)C(=O)CC(c1ccccc1)c1ccccc1 9882503 ADKVQANDAJWQHC-UHFFFAOYSA-N 418.562 5.028 0 40 HKAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)C(c1ccccc1)c1ccccc1 10120068 AEOWVOQIECZMLS-UHFFFAOYSA-N 418.496 6.189 0 40 HKAB CCOc1cccc2sc(N(Cc3ccco3)C(=O)Cc3ccc(F)cc3)nc12 10527495 NMTDHRXQAQGLFQ-UHFFFAOYSA-N 410.470 5.203 0 40 HKAB C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 11852407 ACZOCRAUZJSKCB-SNVBAGLBSA-N 416.528 5.073 0 40 HKAB CCCCc1cc(=O)oc2cc(C)c3c(c12)O[C@H](c1ccc(OC)c(OC)c1)CC3=O 11867455 INAWCEXECMPPAV-IBGZPJMESA-N 422.477 5.168 0 40 HKAB biogenic CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(/C=C/c2ccccn2)c1 12108446 NUDHLQPADFEPJH-SDQWYYNMSA-N 409.489 5.155 0 40 HKAB CC(C)c1nc2ccccc2n1Cc1ccc(Cn2c(C(C)C)nc3ccccc32)cc1 12620254 WACMRUUVLVUELQ-UHFFFAOYSA-N 422.576 6.729 0 40 HKAB C[C@H](Nc1ccccc1N1CCCCC1)C(=O)NC(c1ccccc1)c1ccccc1 12796210 FJEINUGCRQUULW-NRFANRHFSA-N 413.565 5.383 0 40 HKAB C[C@@H](NC(=O)[C@@H](NC(=O)c1cccs1)c1ccccc1)c1ccc2ccccc2c1 12928608 YJOPELWHTIHSJM-HXOBKFHXSA-N 414.530 5.250 0 40 HKAB CCCc1noc([C@H](C)Sc2nnc(-c3cccs3)n2Cc2ccccc2)n1 13010053 FJIVOKQYVDIHGE-AWEZNQCLSA-N 411.556 5.244 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccccc1SCC(=O)N1CCc2ccccc21 13071394 BDHQLTJBVPDTLS-UHFFFAOYSA-N 422.937 5.274 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)C3CCCCC3)c3cccc(C)c3C)cc2c1 13689717 SNWDXVOEYRBVAK-UHFFFAOYSA-N 402.538 5.567 0 40 HKAB COc1cccc(-c2nn(Cc3ccc(C)cc3)c(-c3cccc(OC)c3)c2Cl)c1 17091718 FJNHHIQPMRUZTJ-UHFFFAOYSA-N 418.924 6.244 0 40 HKAB CCOc1ccc(CN2CCCC[C@@H]2c2nc(C)ncc2-c2ccncc2C)cc1 19533258 VLUUFMZXERLAPA-XMMPIXPASA-N 402.542 5.281 0 40 HKAB Cc1cc(C)c2c(CC(=O)N3CCC[C@H]3c3nnc(-c4ccsc4)o3)coc2c1 19568430 GJSGFBFCBHYTHW-KRWDZBQOSA-N 407.495 5.067 0 40 HKAB C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4ccccc4C(=O)c4ccccc4)no3)ccc2O1 28286985 NEIAZQUQOKLUNM-MRXNPFEDSA-N 424.456 5.148 0 40 HKAB CCC(=O)Nc1ccc([C@@H](C)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 30641070 KXWDNWVFIWBIKE-OAHLLOKOSA-N 405.523 5.756 0 40 HKAB COc1cccc([C@@H]2CC(O)=Nc3sc(C(=O)Nc4ccc(C)cc4)c(C)c32)c1 32091971 ADMIHLWWCNSHKL-SFHVURJKSA-N 406.507 5.749 0 40 HKAB Cc1cccc2[nH]cc(C3=CCN([C@@H](C)C(=O)Nc4ccc(F)cc4Cl)CC3)c12 32935663 HKERHONMNNPXHX-HNNXBMFYSA-N 411.908 5.385 0 40 HKAB CCc1ccc(O[C@H](C)c2nnc(SCc3ccc(Cl)cc3Cl)n2C)cc1 33750791 VVTVBHWCFVRNQJ-CYBMUJFWSA-N 422.381 6.117 0 40 HKAB CCc1cc2cc(C)c(C)cc2nc1SCC(=O)Nc1cccc(NC(C)=O)c1 35311954 CKUAWZLCCKQWSZ-UHFFFAOYSA-N 407.539 5.103 0 40 HKAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1SCc1ccccc1 38755948 NTTKFJSDTKSWBV-UHFFFAOYSA-N 402.519 5.358 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875331 WGSDSGUAIQXHPI-RUZDIDTESA-N 416.565 5.300 0 40 HKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCCc4c(F)cc(F)cc43)c12 48286621 SVEFDQYXMJJEKJ-UHFFFAOYSA-N 405.404 5.069 0 40 HKAB CN(C(=O)c1[nH]nc(C2CC2)c1Br)c1ccc(Oc2ccccc2)cc1 58298305 LMOVLVAGMSUGAW-UHFFFAOYSA-N 412.287 5.119 0 40 HKAB O=C(CCCc1ccccc1)N1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 72359161 MMZSEDOLUXADBA-NRFANRHFSA-N 403.501 5.012 0 40 HKAB Cn1c(-c2ccc(Cl)cc2)c([C@H]2c3ccccc3C(=O)N2CCO)c2ccccc21 85430345 VLRCAURHGNDHNF-XMMPIXPASA-N 416.908 5.036 0 40 HKAB COCCn1c(C(=O)Nc2cc(C)ccc2C)cc2c1c1ccccc1n2C(C)C 96037313 NOAHMXMQXARUDK-UHFFFAOYSA-N 403.526 5.692 0 40 HKAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3nc(-c4cc(C)ccc4C)c(C)s3)C(=O)[C@@H]21 102208365 WITBSXWGOHCWRG-SMOSDQRPSA-N 406.551 5.217 0 40 HKAB Cc1ccc2c(c1)N[C@H](c1cccc(Br)c1)C1=C(O)CC(C)(C)CC1=N2 102865765 QJHJGBFKJXMCOJ-OAQYLSRUSA-N 411.343 6.629 0 40 HKAB CCOc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=Nc2ccccc2N1C(C)=O 102928829 XQYBKKVAPPZAED-DEOSSOPVSA-N 404.510 5.898 0 40 HKAB O=C1/C(=C\Nc2cccc(O)c2)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 105899720 MLTAIOBYRAFPEB-AQTBWJFISA-N 424.378 5.051 0 40 HKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(CSc2ccccc2)cc1 223231656 UAOAZOMQOHEXDF-LJQANCHMSA-N 417.574 6.264 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccc(Cl)c(C)c1 224203941 WDBOKRLTWGLKCI-UHFFFAOYSA-N 423.940 6.612 0 40 HKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 224267824 IWUFMKLMISJRTH-RUZDIDTESA-N 420.597 5.102 0 40 HKAB Cc1ccc(OCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1C 224381524 OJZSRIYNKHGRNR-UHFFFAOYSA-N 421.562 5.283 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc(C)c(C)c1 224625985 BXHUFXVHSHYEFU-UHFFFAOYSA-N 417.549 6.459 0 40 HKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 225124592 ISNSPBSHGKHFRN-FGZHOGPDSA-N 422.613 5.383 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1nnc(SCc2ccccc2)s1 225341623 ZJLWGBLTWZKAGA-UHFFFAOYSA-N 424.378 5.709 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C 225578171 PGQVOHKTEQRKQT-KRWDZBQOSA-N 401.934 5.513 0 40 HKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c2cccnc12 225864286 UOUBWSJDEJRQNB-UHFFFAOYSA-N 415.320 6.001 0 40 HKAB CCOC(=O)c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 226329321 DWPSZUGKGGIAPU-UHFFFAOYSA-N 404.087 5.512 0 40 HKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(Cl)cc2)C1 257290272 QCFWGMSICBSMRQ-VTYHHJSWSA-N 422.352 5.498 0 40 HKAB Cc1cccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1C 408589212 ZBZQIIQQSQAHNC-UHFFFAOYSA-N 410.311 5.897 0 40 HKAB COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 408607327 KZMVLDZDMLHWIU-UHFFFAOYSA-N 424.274 6.471 0 40 HKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)sc2n1 408636369 PAWFDIGIOJLDKM-UHFFFAOYSA-N 422.938 5.058 0 40 HKAB Cc1cccc(-n2c(SCCCc3ccccc3)nnc2-c2ccc(Cl)cc2)c1 409101348 STCJYNYIKRKTOS-UHFFFAOYSA-N 419.981 6.621 0 40 HKAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)cc2Cl)cc1C 409109070 XJGWOSXJIQGCMU-UHFFFAOYSA-N 421.353 5.230 0 40 HKAB CCc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 409111077 BNWCHROWHKTJLB-UHFFFAOYSA-N 420.767 7.400 0 40 HKAB Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)c1 409120648 VBMHMDDYYAJBGO-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB CCOc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccccc1F 409183194 QLGSPKXPPDCHMP-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB COc1ccccc1CN1CC[C@H]2CC(=O)Nc3cc(C(C)C)ccc3OCC[C@H]2C1 1534646939 XLAGKMDJLFDSQT-SFTDATJTSA-N 422.569 5.068 0 40 HKAB Cc1ccccc1-c1nnc(-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)o1 693073 DYDLKGBCGADHMC-UHFFFAOYSA-N 403.869 5.547 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc2ccccc2o1 707038 VSIYYZDKQLOORM-UHFFFAOYSA-N 405.475 5.899 0 40 HKAB Cc1cc2ccccc2n2c(SCC(=O)Nc3ccccc3-c3ccccc3)nnc12 877044 PUWXIMAUEDRGTN-UHFFFAOYSA-N 424.529 5.589 0 40 HKAB O=S1(=O)c2ccccc2N[C@H](c2cccc(Cl)c2Cl)N1Cc1ccccc1 982849 JOIIWFXAOIFDQE-FQEVSTJZSA-N 419.333 5.309 0 40 HKAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)Cc1ccc(Cl)cc1 1330133 SXJKJTKEJDNXFG-UHFFFAOYSA-N 421.855 5.428 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2-c2ccccc2)cc1 1713694 PXGGDSFDEAHMNO-UHFFFAOYSA-N 402.313 5.225 0 40 HKAB CC(C)CCOc1ccc(CSCCNC(=S)Nc2ccccc2)cc1Cl 2293842 XFPZKWWIZFPLMI-UHFFFAOYSA-N 423.047 5.985 0 40 HKAB CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(F)cccc2Cl)o1 2388141 UPPIYYPBWCUFLS-AWEZNQCLSA-N 415.918 5.376 0 40 HKAB COc1ccc(Sc2c(-c3ccc(Cl)cc3)nc3ccccc3c2C(=O)O)cc1 2576532 CIWHXTWPWNYAOM-UHFFFAOYSA-N 421.905 6.413 0 40 HKAB CC(=O)Nc1cccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 2654519 WJACKHIGONTQNC-UHFFFAOYSA-N 410.926 5.843 0 40 HKAB CCOc1cccc(-c2cc(C(=O)NCc3ccccc3OC)c3ccccc3n2)c1 2759326 XKJVEGMECIGYTP-UHFFFAOYSA-N 412.489 5.239 0 40 HKAB O=C(Nc1ccc(CSc2ccc(Cl)cc2)cc1)c1cc(Cl)cc(Cl)c1 3116599 KKYRRFXVNLWPSN-UHFFFAOYSA-N 422.764 7.191 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NC(C)(C)CC(C)(C)C)cc12 3219980 LNDUZVYHHHUYSF-UHFFFAOYSA-N 403.979 5.993 0 40 HKAB CCc1ccc(NC(=S)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)cc1 3287992 NIPSWCHYFNUMDZ-JOCHJYFZSA-N 400.975 5.570 0 40 HKAB CC(C)(C)c1ccc(NC(=O)CSc2nnc(NC3CCCCC3)s2)cc1 3319308 XXJPBGPPFLQFRS-UHFFFAOYSA-N 404.605 5.311 0 40 HKAB O=C1/C(=C\c2ccccc2F)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 3381432 OTNHXPPLXVQQFA-UNOMPAQXSA-N 411.354 5.572 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(-c2ccccc2)cc1 4031652 YPSKUPRMCQBIAT-UHFFFAOYSA-N 411.888 6.490 0 40 HKAB COc1ccc([C@@]23c4ccccc4[C@]2(c2ccc(OC)cc2)c2cc(OC)ccc23)cc1 4747910 NQPUVLZZUVMTFE-URLMMPGGSA-N 420.508 5.708 0 40 HKAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)on1 4881069 ZABGJXGKSIFZBX-UHFFFAOYSA-N 406.873 5.109 0 40 HKAB Fc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(Cl)c(Cl)c4)c3c2c1 4969901 MUTOEGWBUOBRPZ-UHFFFAOYSA-N 408.263 6.687 0 40 HKAB Cc1ccccc1-c1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@@H]3c1ccccc1 5177951 STXVPBPGIDVYPH-NRFANRHFSA-N 406.445 5.091 0 40 HKAB COc1ccc(C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)cc1 5445024 MAEVEGQVHKULCU-TZAOXSHGSA-N 422.528 6.132 0 40 HKAB COc1cccc(-c2nnc(SCC(=O)C(C)(C)C)n2-c2ccc(Cl)cc2)c1 5478122 UOTHRGYWKTUOLO-UHFFFAOYSA-N 415.946 5.304 0 40 HKAB CCOc1ccc(-c2nnc3n2N=C(c2ccc(Cl)c(Cl)c2)CS3)cc1 5562943 DDNPGEWZMKHHBI-UHFFFAOYSA-N 405.310 5.009 0 40 HKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1cc(Cl)ccc1Cl 6887236 HJYZCXLMUSJDJH-UHFFFAOYSA-N 414.288 5.307 0 40 HKAB Cc1cccc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)c1C 6901726 PSKVCBRELRCOFO-UHFFFAOYSA-N 407.477 5.177 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 7080115 LNDANBKMSQKNBV-INIZCTEOSA-N 401.466 5.421 0 40 HKAB Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCc4ccccc43)cc12 8391021 DKXUOGIXKXTWHC-UHFFFAOYSA-N 407.926 5.311 0 40 HKAB COc1cccc2cc(-c3nnc(NC(=O)c4cc(Cl)sc4Cl)o3)oc12 9167057 YGXPLPPJWPGWDW-UHFFFAOYSA-N 410.238 5.112 0 40 HKAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1 9495133 ODWPMUWGMSPOQC-NRFANRHFSA-N 422.868 5.169 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1 9634666 OHTIIFDZDKAAJS-UHFFFAOYSA-N 415.540 5.567 0 40 HKAB COc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1Br 9846198 RUWJXOYFZKQJQM-UHFFFAOYSA-N 423.738 5.354 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120130 OILPPJCATRYSDC-UHFFFAOYSA-N 420.896 5.868 0 40 HKAB C[C@H](Sc1nncn1-c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 10658205 UJSDLVUHMFJUDA-LBPRGKRZSA-N 417.416 5.189 0 40 HKAB CC(C)Sc1ccc(CC(=O)Nc2sccc2-c2nc3ccccc3s2)cc1 12071034 QTHJHLAQOBDGOM-UHFFFAOYSA-N 424.616 6.707 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2cccs2)oc1NCc1ccco1 12419688 ODYJYVUWOXGJNZ-UHFFFAOYSA-N 420.899 5.094 0 40 HKAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2cncn2-c2ccc(F)cc2)n1 12506072 BKTJRPNOLMJQKE-UHFFFAOYSA-N 417.469 5.177 0 40 HKAB CC(C)(C)c1cc(CCC(=O)N2CCC[C@@H]2c2ccncc2)cc(C(C)(C)C)c1O 12515907 JTIVCBYOHHJGRH-JOCHJYFZSA-N 408.586 5.679 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1sc2ccccc2c1Cl 12587320 DFNSITKSPHEKCV-YCPHGPKFSA-N 408.947 5.716 0 40 HKAB Cc1csc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)n1 12774764 CZYQHKMIDGPAMD-CYBMUJFWSA-N 405.595 5.045 0 40 HKAB C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1 12779981 DJJURABXQRFXCK-NSHDSACASA-N 424.309 5.075 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)cc1C 13041827 QXGSFCIQZYOHRF-UHFFFAOYSA-N 408.498 5.426 0 40 HKAB CCOc1cc(C(=O)Nc2cccc3ccccc23)cc(Br)c1OC 14428889 CBFFGFYTKTUPDY-UHFFFAOYSA-N 400.272 5.262 0 40 HKAB CN1/C(=C\C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)C(C)(C)c2ccccc21 16035475 DITZSMGYAJEDLB-VAAIZWELSA-N 413.304 5.492 0 40 HKAB O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccccc1F 16449335 YCPPVKZWJSRNHJ-UHFFFAOYSA-N 401.224 6.193 0 40 HKAB O=C(/C=C/c1c(Cl)nc2ccccn12)Nc1cccc(C2SCCCS2)c1 18112525 QUVSBSHDKAAGKR-CMDGGOBGSA-N 415.971 5.508 0 40 HKAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C[C@@H]4CCCCO4)C3)c(-c3ccncc3)c2c1 19220215 PLPXYOWVHZBPFZ-SFTDATJTSA-N 417.553 5.204 0 40 HKAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 20145368 IVGKBOPZDMKUAE-VQHVLOKHSA-N 415.804 5.098 0 40 HKAB Cc1nc(Sc2nnc(-c3cccs3)o2)c2c(-c3cccs3)csc2n1 20667441 BZGJHGOASPKINM-UHFFFAOYSA-N 414.562 5.991 0 40 HKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(C(F)(F)F)c1 23053453 YSHLDBONXMHBBY-UHFFFAOYSA-N 423.822 5.461 0 40 HKAB O=C1CS[C@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N1Cc1ccccc1 27061542 LFOADMWXVPYFFJ-HXUWFJFHSA-N 404.318 6.028 0 40 HKAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1cccc(OCc2ccccc2)c1 28189592 MNXZASSBYNIERH-UHFFFAOYSA-N 419.506 5.039 0 40 HKAB COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2C(F)(F)F)cc1 29077317 MDNHECQLQXIUIF-UHFFFAOYSA-N 421.440 5.110 0 40 HKAB CN(Cc1nc2ccccc2s1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 32740969 IXTAHPIKRIIKLW-JOCHJYFZSA-N 404.560 5.788 0 40 HKAB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)c1 35040656 SCFQLKAYUNTLQX-MHWRWJLKSA-N 404.354 5.472 0 40 HKAB CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2cccc3ccccc23)ccc1Cl 38772809 LJYYACYVRGTIGC-HXUWFJFHSA-N 411.885 5.466 0 40 HKAB C[C@H]1Cc2ccccc2N1c1nc2nccc(/C=C/c3ccc(Cl)cc3)c2c(=O)[nH]1 40388439 RUJNPTCLCFWTIK-PPYMECGQSA-N 414.896 5.225 0 40 HKAB CC1(C)COC(CCCC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)OC1 43214509 SRNNWXJBZLWIMI-UHFFFAOYSA-N 406.444 6.125 0 40 HKAB CCOc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 46079006 LGLXVYAZTUMARB-UHFFFAOYSA-N 418.468 5.070 0 40 HKAB CSc1nnc(CCCNC(=O)Nc2cccc3ccccc23)n1C1CCCC1 53998998 AXZOKDSYROMACF-UHFFFAOYSA-N 409.559 5.023 0 40 HKAB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1 65599052 XQVXAQFZHDCWMG-UHFFFAOYSA-N 400.482 5.608 0 40 HKAB COc1cccc(-n2c(SCc3ccccc3Cl)nc3ccccc3c2=O)c1 67259235 DMVPHRQOQSGERQ-UHFFFAOYSA-N 408.910 5.340 0 40 HKAB CCOc1cc(CO)c(Br)cc1OCc1c(Cl)cccc1Cl 95095071 RSBPQQCBIUUWLT-UHFFFAOYSA-N 406.103 5.226 0 40 HKAB CCc1ccc(C2=NN(C(C)=O)[C@@H](c3cc4ccc(OC)cc4nc3Cl)C2)cc1 95115947 YSBQDLHSWAVJEG-JOCHJYFZSA-N 407.901 5.157 0 40 HKAB O=C1OC(c2ccc3ccccc3c2)=N/C1=C/c1cnn(Cc2ccccc2Cl)c1 96021672 IAVRGEHUYMOIEK-SSDVNMTOSA-N 413.864 5.083 0 40 HKAB O=C(Cc1ccccc1Cl)Nc1ccccc1Cc1nc(-c2cccs2)no1 96119747 YAHPVGDWXISXRL-UHFFFAOYSA-N 409.898 5.224 0 40 HKAB Clc1cccc(Br)c1COCc1c(Cl)cccc1Br 96236472 DVMKLBXPNFJCLK-UHFFFAOYSA-N 424.947 6.235 0 40 HKAB O=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1Cc1ccc(F)cc1Cl 106733029 ZGOLRIAHYBFMQS-CHHVJCJISA-N 400.233 5.508 0 40 HKAB Cc1cc(OCC(=O)NC(c2ccccc2)c2ccccc2)cc(C)c1Br 218838678 MVSCQQNLMZKJAT-UHFFFAOYSA-N 424.338 5.351 0 40 HKAB CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)ccc1Cl 222936465 SRQHXSMZCIGPEZ-FQEVSTJZSA-N 417.933 5.610 0 40 HKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 222954123 LMFSDDWNWZKXEI-HSZRJFAPSA-N 416.521 5.030 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1Cc1ccccc1 223393813 WYOYRGLLIUKOBD-DNQXCXABSA-N 410.546 5.045 0 40 HKAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 223408925 RDZIGNIEWMTBAZ-DEOSSOPVSA-N 420.940 5.136 0 40 HKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C(C)C 224429798 QTYHDENAYPZZJC-FGZHOGPDSA-N 408.546 5.397 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccc4c(c3)CCCC4)ccc21 224694842 MTFXLHRHOIGSPI-GOSISDBHSA-N 412.533 6.099 0 40 HKAB CCOc1ccc(-c2ccc3c(c2)CNCCCCCCCN3C(=O)C(C)C)cc1 643576516 ODZJXTKBJZANGY-UHFFFAOYSA-N 408.586 5.795 0 40 HKAB CC(C)CCNc1ccc2c(c1)CNCCCCCCCN2C(=O)c1ccncc1 2037931591 VTOSTPVPCJEJAB-UHFFFAOYSA-N 408.590 5.240 0 40 HKAB Cc1ccc2c(c1)[C@@H](Nc1ccc(OCCN(C)C)cc1)c1ccccc1CS2 717629 QQZUJGHOAFEOQU-VWLOTQADSA-N 404.579 5.743 0 40 HKAB Cc1cc2nc(-c3cccc(NC(=O)c4cccc(OC(C)C)c4)c3)oc2cc1C 849008 BSOLEJGUERFIAS-UHFFFAOYSA-N 400.478 6.151 0 40 HKAB COc1ccc(-c2nc3ccc(Br)cn3c2NC2CCCCC2)cc1 904244 BBPHWFCPKGQFCT-UHFFFAOYSA-N 400.320 5.517 0 40 HKAB CCOC(=O)Oc1ccc2c(=O)c(Oc3cccc(C)c3)c(C(F)(F)F)oc2c1 942762 ZKYIAQRLEVCMFZ-UHFFFAOYSA-N 408.328 5.448 0 40 HKAB Cc1ccc(C(C)C)c(OCCn2cc(C(=S)N3CCCCC3)c3ccccc32)c1 1100018 HDFJTJIVNVDRAT-UHFFFAOYSA-N 420.622 6.314 0 40 HKAB COc1ccc(-c2nnc(N(Cc3ccccc3)C(=O)C3CCCCC3)s2)cc1 1345518 PLIUWNFRTZDCJI-UHFFFAOYSA-N 407.539 5.327 0 40 HKAB CC(C)c1ccc(-c2noc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)cc1 1360127 IFBNLNWROMGFLF-JOCHJYFZSA-N 403.526 5.199 0 40 HKAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(C)c1 1916442 SBORISUVHSOMCW-UHFFFAOYSA-N 414.530 6.111 0 40 HKAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc(F)c(Cl)c1)CO3 2116778 NUGDZWLFHHEMIR-UHFFFAOYSA-N 407.828 5.609 0 40 HKAB biogenic Cc1ccc(S(=O)(=O)c2nc(Nc3cccc4c3CCCC4)sc2Cl)cc1 2700852 OKYHSHOBIWDXAZ-UHFFFAOYSA-N 418.971 5.560 0 40 HKAB CC(C)COP(=O)(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)OCC(C)C 3193780 NMEVHMMRBGFLQD-UHFFFAOYSA-N 412.551 7.026 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(N2CCCCC2)cc1 3448899 RSSLGNWXBBAVKN-UHFFFAOYSA-N 409.382 5.856 0 40 HKAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccc2ncsc2c1 3479618 KGTBFATVCQJBTA-UHFFFAOYSA-N 418.499 5.283 0 40 HKAB CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 4081884 JZVFJDZBLUFKCA-BFHHIBBVSA-N 412.702 7.801 0 40 HKAB Cc1ccc(C(=O)CSc2nc(-c3ccc(F)cc3)nc3ccc(F)cc23)cc1 4184254 VUVYOVLCQXKZFR-UHFFFAOYSA-N 406.457 5.858 0 40 HKAB COc1ccc(-n2ncc3c(NC4CCCCCCCCCCC4)ncnc32)cc1 4659338 IIBJBIRKFZXNMO-UHFFFAOYSA-N 407.562 5.909 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NC(=O)[C@@H](C)Oc3ccccc3)c2)c1 4660015 PQMBACLFBUDEAC-QGZVFWFLSA-N 422.912 5.615 0 40 HKAB CCOc1cccc2c1O[C@@H](c1ccccc1Cl)N1N=C(c3cccnc3)C[C@H]21 4715649 LLRGCXNJMOOSRO-OFNKIYASSA-N 405.885 5.376 0 40 HKAB COc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)N(C(=O)CC(C)C)c2ncnn21 4816974 VHQQJXUEUPVNSW-WOJBJXKFSA-N 424.932 5.054 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)oc2C)cc1 5033067 VIASVHPBDSVMFY-UHFFFAOYSA-N 403.265 5.773 0 40 HKAB Cc1cc(C)cc(C[C@H](C)CC(=O)Nc2ccccc2I)c1 5170700 OWDQBAAYJOFLEB-HNNXBMFYSA-N 407.295 5.115 0 40 HKAB CCCC(=O)N[C@@H](Nc1cc(Cl)ccc1C(F)(F)F)C(Cl)(Cl)Cl 5417392 AXQQDTBGQDRCLL-LLVKDONJSA-N 412.066 5.383 0 40 HKAB O=C(C1CCCCC1)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1 5447389 RERCCWDBYQQMRQ-DVXORUALSA-N 410.608 6.513 0 40 HKAB COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1OC 5458660 NIKPVISZBATZRG-TZIWHRDSSA-N 419.912 5.853 0 40 HKAB CCOc1ccccc1C(=O)CSc1cc(C)nc2c(-c3ccccc3)cnn12 5555681 HQCXISBMCVMBPW-UHFFFAOYSA-N 403.507 5.078 0 40 HKAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)c1c[nH]c2ccccc12 6025633 NNHQQXLIONSMSK-UHFFFAOYSA-N 411.530 5.735 0 40 HKAB COc1ccc(C2=Nc3ccc(F)cc3C(c3ccc(C(F)(F)F)cc3)=NN2)cc1 6145738 RQHSIUOLUJCIME-UHFFFAOYSA-N 413.374 5.287 0 40 HKAB CCOc1ccc(-c2nc(CSc3ncnc4ccccc34)cs2)cc1OC 6946994 BFEICDURGAFSMR-UHFFFAOYSA-N 409.536 5.453 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H](Nc1ccc2nc(C)sc2c1)c1ccccc1 7241973 HYGHKJAEHCLYRI-HSZRJFAPSA-N 417.534 5.714 0 40 HKAB CC(C)c1ccc(NC(=O)[C@@H](C)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 7243680 VBFWWOAXBDMEOI-GOSISDBHSA-N 417.557 5.234 0 40 HKAB Cc1ccc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c(Cl)c1 7771082 YXUKRPHZOWEQBB-UHFFFAOYSA-N 403.865 5.983 0 40 HKAB CC[C@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7929486 SNRBUVLBKNJDMU-UONOGXRCSA-N 406.309 5.465 0 40 HKAB Cc1csc(SCc2c(C(=O)N(C)Cc3cccs3)oc3ccccc23)n1 8329135 ZIGLZKACBNSUDH-UHFFFAOYSA-N 414.577 5.824 0 40 HKAB CCC(C)(C)C1CCC(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CC1 8389074 JXSWZDQLTTYFIR-UHFFFAOYSA-N 419.009 5.303 0 40 HKAB COc1cc(-c2nc3ccc(Br)cn3c2Nc2ccccc2C)ccc1O 9289143 FWWVMJQLKVYGFI-UHFFFAOYSA-N 424.298 5.530 0 40 HKAB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1cc2c(F)cccc2s1 9376476 RUCWBTSHNCTDFV-UHFFFAOYSA-N 418.906 5.226 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 10040957 QCLBCEHLRTZBCO-UHFFFAOYSA-N 420.852 5.746 0 40 HKAB Cc1ccccc1CSc1nnc([C@@H](C)N2CCCCC2)n1-c1ccc(F)cc1 11416375 MZHYHAKIVVTEJH-GOSISDBHSA-N 410.562 5.554 0 40 HKAB CN(c1ccccc1)c1nnc(-c2ccc(NC(=O)c3ccc(F)cc3F)cc2)s1 11797045 HPICPFUGLXAAIB-UHFFFAOYSA-N 422.460 5.504 0 40 HKAB Cc1cc(C)c2c(-n3cccc3)c(-c3cc(=O)oc4cc(C)c(O)cc34)sc2n1 11865373 CHHOFKOTHUMBIQ-UHFFFAOYSA-N 402.475 5.491 0 40 HKAB biogenic CCOc1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccccc32)cc1 12486369 ZGVCAKZADIEAIK-UHFFFAOYSA-N 420.310 5.282 0 40 HKAB O=C(Nc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1)c1ccccc1 13020696 GYRMSXGIZDNRKZ-UHFFFAOYSA-N 422.868 5.006 0 40 HKAB CC(C)[C@@H](NC(=O)COc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCCO2 13097013 QSMLXZJEDKLFSO-HXUWFJFHSA-N 424.324 5.047 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl 14398967 SZIFDOOYFMUMDX-GFCCVEGCSA-N 418.773 5.464 0 40 HKAB Cc1cc(OC[C@H](O)Cn2c(COc3ccccc3)nc3ccccc32)ccc1Cl 15860759 LINSXUKQXXJSRJ-GOSISDBHSA-N 422.912 5.017 0 40 HKAB Cc1ccc(C(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2Cl)cc1 16291977 LQCGZWHBZGQVSZ-HXUWFJFHSA-N 403.869 5.218 0 40 HKAB Cc1c(Cl)cccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 17087496 YJFVIZYEWQVDTG-JXMROGBWSA-N 406.696 6.867 0 40 HKAB Cc1ccc2c(c1)[nH]c(=S)n2/C=C(/c1ccccc1)[S@@](=O)Cc1ccccc1 17223411 UHVIYNSKKNNIDC-DDOPCNGUSA-N 404.560 5.912 0 40 HKAB COc1ccc(-c2cn[nH]c2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1OC 18128615 SSMQZZBSIFHOKN-UHFFFAOYSA-N 420.440 5.185 0 40 HKAB CC(C)(C)CC(=O)N[C@H](C[C@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1 19082749 ODYBYPRJPOGVQB-FYYLOGMGSA-N 411.565 5.259 0 40 HKAB Cc1sc2ncnc(Sc3nnc(-c4ccncc4)n3-c3ccccc3)c2c1C 19797033 MVPRZRLDLZKMLD-UHFFFAOYSA-N 416.535 5.102 0 40 HKAB COc1ccc2c(c1)C=C(C(=O)Nc1ncc(Cc3ccc(Cl)cc3)s1)C=CO2 19809974 OAXGMNOPNLGWAO-UHFFFAOYSA-N 424.909 5.324 0 40 HKAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc2c(Cl)cccc12 20139005 UIUFHOZFZMJEAD-UHFFFAOYSA-N 407.853 5.506 0 40 HKAB CCc1c(C)nc2nc(-c3ccccc3)nn2c1Nc1ccc(OC(F)(F)F)cc1 20191287 QBYCWYGPZWAISK-UHFFFAOYSA-N 413.403 5.304 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)Sc4ccccc4)cc3)sc2c1 20238506 SEZPKXZYGWDQBT-MRXNPFEDSA-N 404.560 6.391 0 40 HKAB CCc1sc(NC(=O)Cc2csc(C)n2)nc1-c1ccc(Br)cc1 20463945 GIXXFUFGXGLCHA-UHFFFAOYSA-N 422.373 5.081 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20500289 WMLIWXFWHSSUKG-DEOSSOPVSA-N 420.940 6.572 0 40 HKAB COc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)s1 21738265 IPEYQCZXLOIJND-LLVKDONJSA-N 420.947 5.063 0 40 HKAB CN1CCc2c(sc(NC(=O)c3ccccc3)c2-c2nc3ccccc3s2)C1 23153840 BFDIDPOQZOQCQP-UHFFFAOYSA-N 405.548 5.265 0 40 HKAB COc1ccc([C@H](CNC(=O)c2sc3cc(Cl)ccc3c2Cl)N(C)C)cc1 30020036 HAIPBQNVVPZCMQ-INIZCTEOSA-N 423.365 5.249 0 40 HKAB CCCOc1ccccc1C(=O)Nc1nc(C)c(-c2nc(-c3ccccc3)no2)s1 31812490 CXKVPTRVAWOOAG-UHFFFAOYSA-N 420.494 5.210 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccc(F)c3c2C(=O)C[C@@H]3C)o1 32789306 QDLSICDIOGBYCP-LBPRGKRZSA-N 419.412 5.108 0 40 HKAB CN(Cc1ccccc1NC(=O)Cc1ccc(C(F)(F)F)cc1)C1CCCCC1 32894178 KHWUWEKXFIJDAO-UHFFFAOYSA-N 404.476 5.651 0 40 HKAB Cc1ccc(COc2ccc(/C=C3\N=C(c4cccc(Cl)c4)OC3=O)cc2)cc1 33567575 BAFWKCLUMYJFHO-XKZIYDEJSA-N 403.865 5.572 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 34981731 VBVVUGIKUZSTCK-UHFFFAOYSA-N 411.082 6.268 0 40 HKAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3-c2ccccc2F)cc1C 36616740 GBIIJTOVCWLFGQ-UHFFFAOYSA-N 400.457 5.306 0 40 HKAB Cc1ccc([C@H](NC(=O)COc2ccc(Br)cc2)c2ccccc2)cc1 38755515 PJHAANWFNVTHRY-JOCHJYFZSA-N 410.311 5.042 0 40 HKAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 39757881 OKTBMAZJLOSLOY-UHFFFAOYSA-N 410.867 5.518 0 40 HKAB CCCc1noc(CCC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)n1 40050043 GSZSHYABJKDOHT-UHFFFAOYSA-N 417.343 5.085 0 40 HKAB CC(C)C[C@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccccc1 44936906 GBGLIOGULUAOMU-QHCPKHFHSA-N 416.968 5.595 0 40 HKAB Cc1c(C(=O)Nc2cccc(Cl)c2N(C)C)cnn1-c1cccc(C(F)(F)F)c1 58909317 FQDAOMHXWUVWOW-UHFFFAOYSA-N 422.838 5.171 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cccc(SC)c3)oc12 67293486 FJUJTDRRIHWSLR-BZZOAKBMSA-N 417.490 5.043 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2)c(C)c1 67297222 JUWOTKUJULIZSP-LCUIJRPUSA-N 402.881 6.188 0 40 HKAB O=C(CCc1nnc(-c2ccsc2)o1)N1CCC[C@H]1Cc1cccc2ccccc12 70012898 NUPSGQCSENQOKM-FQEVSTJZSA-N 417.534 5.118 0 40 HKAB COc1ccc2ncc(S(=O)(=O)c3cc(Cl)cc(Cl)c3)c(Cl)c2c1 72329805 XXJNVZHIFDPAID-UHFFFAOYSA-N 402.686 5.036 0 40 HKAB Cc1nc2ccc(NC(=O)c3sc4cc(C(F)(F)F)ccc4c3Cl)cc2o1 84290349 WHOLCXGFPJXEPI-UHFFFAOYSA-N 410.804 6.275 0 40 HKAB O=C(CCC1CCCC1)N1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 96155766 QCUAUQZOEDFNAY-UHFFFAOYSA-N 420.532 5.212 0 40 HKAB CC(C)n1c(CCCCCNC(=O)c2ccc3c(ccn3C)c2)nc2ccccc21 96230808 DCKBMOCPIAJXBT-UHFFFAOYSA-N 402.542 5.252 0 40 HKAB COc1ccc([C@@H]2C(=O)c3ccccc3N2C(=O)c2ccc(Br)cc2)cc1 104849733 JSDSVALWVILERD-HXUWFJFHSA-N 422.278 5.042 0 40 HKAB Cc1cc(-c2csc(NC(=O)[C@@]3(C)CC(c4ccccc4F)=NO3)n2)c(C)s1 141566326 AUZQCFWASOXQCP-HXUWFJFHSA-N 415.515 5.149 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1C(C)C 223330326 NHNMVKCXOBGSMG-FQEVSTJZSA-N 417.549 6.197 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc2)cc1 223458379 SMTXGVRYXMIVQT-UHFFFAOYSA-N 423.537 7.439 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccccc1OC 224242334 PSMUKCGBPXGCAH-UHFFFAOYSA-N 415.848 5.328 0 40 HKAB CSc1ccccc1NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224880940 SKBHSDJEFOGXJW-UHFFFAOYSA-N 417.328 5.397 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3cccc4ccccc34)ccc21 225158074 MZPVOZTUFCGBJH-OAHLLOKOSA-N 406.507 5.203 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1 225581632 MIPNONMBOGKWLA-OAHLLOKOSA-N 422.352 5.858 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(C)cc2C)c1 225675580 USFXCDDBWUFEBG-MIDMBNTASA-N 418.562 5.322 0 40 HKAB CCOC(=O)c1cccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1C 225679237 AGTAKJUKDNYKBT-LJQANCHMSA-N 412.555 5.069 0 40 HKAB CO[C@@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]3[C@@H]12 257350290 WCLAESSRAKSOIR-WMSNMPISSA-N 416.690 7.014 0 40 HKAB O=C(c1cc2c(ccc3ccccc32)o1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408605739 JYXFZMYCSXLQDX-UHFFFAOYSA-N 424.422 5.567 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(Cl)cc2)cc1C 408693589 AMSCVHRZYREGRR-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1cccc(C)c1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 408697517 KACWDRCPMMXUOQ-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)c1 408869049 PBEVRDZLKMVRMC-YVLHZVERSA-N 418.312 5.003 0 40 HKAB COc1ccc(CCCc2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cc1C 409019163 VXXRVVDMTYBRBC-UHFFFAOYSA-N 423.365 6.161 0 40 HKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc2ccccc12 409179256 QTDWQJIJGDWFRB-XMMPIXPASA-N 400.861 6.274 0 40 HKAB CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1cccc(C)c1 409183273 RBQQUNXJXPEFIT-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB O=C1NCCCc2ccccc2[C@H](c2ccccc2)N1C1CCN(C2CCCC2)CC1 2037978162 DYRIIGCOKCJSIG-SANMLTNESA-N 417.597 5.141 0 40 HKAB Cc1cc(C)cc(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1 626743 OIJHHYORHPFPCD-LJQANCHMSA-N 413.348 6.191 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccccc1OC(C)=O 708545 FRFBZFYWYVFZFH-UHFFFAOYSA-N 423.490 5.078 0 40 HKAB Cc1ccc(N2C(N)=C(C(N)=O)[C@H](c3ccc(Cl)cc3)C3=C2CC(C)(C)CC3)cc1 715077 CXGNLQHEQRGCBN-OAQYLSRUSA-N 421.972 5.372 0 40 HKAB Cc1cccc(NC(=S)N(Cc2ccco2)Cc2cc3cc(C)ccc3[nH]c2=O)c1 884804 JUZXLTBNWHHZAL-UHFFFAOYSA-N 417.534 5.137 0 40 HKAB Cc1nc2sc(C(=O)Nc3cccc(C(F)(F)F)c3)c(N)c2c2c1CCCC2 1022826 BYNMLKQKZWNZAZ-UHFFFAOYSA-N 405.445 5.337 0 40 HKAB CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)/C=C/c1ccccc1)c1ccccc12 1305922 WFLFTAGEAVLRQB-CCEZHUSRSA-N 413.473 5.435 0 40 HKAB Cc1ccc(NC(=O)Oc2cc(C)c(I)cc2C)cc1Cl 1560688 NBIXYVJBSGPLMI-UHFFFAOYSA-N 415.658 5.481 0 40 HKAB CCOC(=O)[C@@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)c1nccc2ccccc12 1718219 BBWZQZGGDBQMEA-DNQXCXABSA-N 409.485 5.429 0 40 HKAB COC(=O)C[C@@H](c1ccccc1)[C@H](SCc1ccccc1)[C@H](O)c1ccccc1 2049207 CYKNIQPTNMENKI-CAOCKLPOSA-N 406.547 5.369 0 40 HKAB c1ccc(-c2cc3c(n2C2CCCCCC2)[C@H](c2ccccc2)Oc2ccccc2-3)cc1 2060400 FRJGBPCFRDIYET-PMERELPUSA-N 419.568 8.199 0 40 HKAB Cc1sc2nc(SCc3ccccc3)nc(SCc3ccccc3)c2c1C 2180909 JZDPDDKVZBUQTO-UHFFFAOYSA-N 408.617 6.893 0 40 HKAB Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)cc2)sc1C 2246961 KOIWHXCJVSVWCW-GOSISDBHSA-N 422.893 5.270 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)C(c1ccccc1)c1ccccc1 2346188 UPKISWPKGWKBLZ-UHFFFAOYSA-N 403.485 6.001 0 40 HKAB Cc1ccccc1COc1ccc2c(=O)c(-c3ccc(Br)cc3)coc2c1 2667505 PMBWVSBARJRTAN-UHFFFAOYSA-N 421.290 6.110 0 40 HKAB biogenic O=C(Nc1ccc(Cl)cc1)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 3012968 CZNXWZQWVKVKDT-HIFRSBDPSA-N 410.783 5.042 0 40 HKAB O=C(O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1)c1ccco1 3240938 CVCYCUVXRAPPET-QGZVFWFLSA-N 423.774 5.489 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)sc(C)c1C 3434904 QVRWEPHWICLFSS-UHFFFAOYSA-N 407.491 5.025 0 40 HKAB COc1cccc(NC(=S)NCC[C@H]2[C@H](c3c(C)[nH]c4ccccc34)C2(C)C)c1 3765644 XXNNSDUGRAXDJZ-SIKLNZKXSA-N 407.583 5.601 0 40 HKAB CCOc1ccc(CNCC[C@H](CCC(C)C)[C@@H]2CCOC(C)(C)C2)cc1OC 4084283 NQFRHAWKZVTFKT-FCHUYYIVSA-N 405.623 5.831 0 40 HKAB biogenic Cc1ccc(-n2c(S[C@@H](C)c3ccccc3)nc3c([nH]c4ccccc43)c2=O)cc1 4106594 KRNSMQKPMQSNFO-KRWDZBQOSA-N 411.530 6.029 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Oc2ccccc2)cc1 4134702 DRFDXUYGKDAUEK-UHFFFAOYSA-N 405.457 6.275 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)CCSc4ccccc4)cc3)sc2c1 4167556 RHVMYBQTLBGVRR-UHFFFAOYSA-N 404.560 6.393 0 40 HKAB Cc1ccc(NC(=O)c2ccc(NC(=O)Cc3cccc4ccccc34)cc2)c(C)c1 4659762 SFWHDVLQKHAXSH-UHFFFAOYSA-N 408.501 5.890 0 40 HKAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C)cc2)n2c(nc3ccccc32)N1 4742064 LVNWNPPMRVQPQB-DEOSSOPVSA-N 408.505 5.581 0 40 HKAB C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1cccs1)C(=S)N2c1ccccc1 4821881 AOZGWJWJCBHURC-JTSKRJEESA-N 406.532 5.235 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H]3[C@@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 4972799 RTPZRDGYMPQRKO-VILWVLSMSA-N 414.674 7.569 0 40 HKAB CSc1nnc2c(n1)O[C@H]([C@H]1CCC(CCC=C(C)C)=C[C@@H]1C)Nc1ccccc1-2 5044066 OWVUXVZIIPHBLW-SGXKBVARSA-N 422.598 6.110 0 40 HKAB CC(C)c1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)cc1 5324176 YIHHEGNXGPOEIZ-QFIPXVFZSA-N 414.436 5.200 0 40 HKAB CCCCC(=O)N(C1=C[C@H](C)N(C(=O)c2ccccc2)c2ccccc21)c1ccccc1 5417613 GIFLFZZQIVRRMB-NRFANRHFSA-N 424.544 6.300 0 40 HKAB COc1ccc(-n2c(N)c(C(=O)Nc3cccc4ccccc34)sc2=S)cc1 5516089 ZIGWMRRMWKJOFL-UHFFFAOYSA-N 407.520 5.265 0 40 HKAB CC(C)N(C(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)c1ccccc1 5547707 RJGNYDIIGKMISC-UHFFFAOYSA-N 403.913 5.798 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccs2)N2CCCCC2)c1C 5721695 IELIHWFLESPBKD-NRFANRHFSA-N 410.608 6.254 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3ccccc3)C3CCCC3)cc2c1 6233131 PWSHNVQPHQAHHG-UHFFFAOYSA-N 407.945 6.482 0 40 HKAB CCC(C)(C)c1ccc(Oc2ccc(N[C@@H](C)C(=O)Nc3ccc(C)cc3)cc2)cc1 6388923 JQKPSLOSBKVQIA-FQEVSTJZSA-N 416.565 6.914 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 7080121 KHHVIBJTZNBVMO-INIZCTEOSA-N 418.472 5.091 0 40 HKAB Cc1ccc(CNC(=O)Cc2nc(-c3ccccc3)sc2-c2ccc(C)cc2)cc1 7785978 XGAANJAVHRMQND-UHFFFAOYSA-N 412.558 5.953 0 40 HKAB COc1ccc(CCNCc2cccc(OC)c2OCc2ccccc2Cl)cc1 8474516 GEFFRZYUOXPHFI-UHFFFAOYSA-N 411.929 5.269 0 40 HKAB Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)c2ccc(Cl)c(Cl)c2)c1 8475643 UYRKQPRSBYXDKS-UHFFFAOYSA-N 402.281 5.048 0 40 HKAB O=C1S/C(=C/c2cccc(OCc3ccccc3Cl)c2)C(=O)N1c1ccccc1 9296633 RMJIOTXOVSSFOF-KGENOOAVSA-N 421.905 6.160 0 40 HKAB CC(C)c1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1 9627858 XTGGEXFNNYANNW-UHFFFAOYSA-N 413.930 5.353 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(Cc2cccs2)n1C1CC1 9670007 RWMUUDOFKHULFY-AWEZNQCLSA-N 422.579 5.419 0 40 HKAB CC(=O)N(c1nc(CSc2c(C)c(C)cc(C)c2C)cs1)c1ccccc1F 10560391 CTIZYUKSMQNQBI-UHFFFAOYSA-N 414.571 6.493 0 40 HKAB Cn1c(SCc2c(F)cccc2Cl)nnc1-c1ccccc1Br 12488258 XIHRQOGBOZQQFF-UHFFFAOYSA-N 412.715 5.329 0 40 HKAB COc1ccc([C@H](NCc2ccc(C(=O)Nc3ccccc3)cc2)c2ccccc2)cc1 12803279 OZFKKEDYLMPCMX-HHHXNRCGSA-N 422.528 5.827 0 40 HKAB CN(C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)c1nc2ccccc2s1 12806567 YMWARZMOTQIHJN-HXUWFJFHSA-N 414.486 5.027 0 40 HKAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2coc(-c3cccs3)n2)o1 12932528 JKNXREZNFKCOAR-NSHDSACASA-N 403.460 5.358 0 40 HKAB CCCCCn1c([C@@H](Cc2ccccc2)NC(=O)c2ccccc2)nc2ccccc21 13596136 RZRYGJVGLSHGQY-XMMPIXPASA-N 411.549 5.940 0 40 HKAB CCCC1=C(C(=O)OCC)[C@@H](c2cccc3ccccc23)n2c(nc3ccccc32)N1 13634954 IJTICVVTKCUXJU-XMMPIXPASA-N 411.505 5.822 0 40 HKAB CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2)cc1 13647417 RWHZWNRVHFWXKQ-UHFFFAOYSA-N 412.489 5.082 0 40 HKAB CSc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)cc1 13768894 ZIVSFWWZMHBQBX-YKSBVNFPSA-N 416.502 5.380 0 40 HKAB CCOc1c(Br)cc(C(=O)Nc2cccc(Cl)c2Cl)cc1OC 15010822 YTICGJXDZUQQQT-UHFFFAOYSA-N 419.102 5.416 0 40 HKAB Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)cc1 15778698 OVUUOUBIUAEVOG-FQEVSTJZSA-N 403.869 5.218 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(CN[C@@H](C)c3ccccc3Br)c2)cc1 17312603 ZPYGVOHAGSNBJF-KRWDZBQOSA-N 423.354 5.861 0 40 HKAB CCOc1ccc(CCC(=O)NCCSCc2ccccc2Cl)cc1OCC 20046866 DXFJIPSFJFEXFQ-UHFFFAOYSA-N 421.990 5.120 0 40 HKAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(-c2cc3ccccc3oc2=O)cc1 20143618 WNJVIYBQAOVPJD-UHFFFAOYSA-N 419.820 5.064 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 20452603 RHYMNXVUWKHQPV-UHFFFAOYSA-N 413.926 5.772 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N(Cc1ccccc1)Cc1ccccc1 20483134 TVMKAJZVCBTLLW-AREMUKBSSA-N 409.529 6.226 0 40 HKAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccc(C(F)(F)F)cc1 21547810 VWTWNQSKTMVKBN-UHFFFAOYSA-N 413.808 5.140 0 40 HKAB COc1ccc(-c2cc(CS[C@H](C)C(=O)Nc3ccc4c(c3)CCC4)on2)cc1 24843763 DXBSEHQJCFEORG-OAHLLOKOSA-N 408.523 5.099 0 40 HKAB NC(=O)c1ccc(-c2nnc(Nc3cccc(OC(F)(F)F)c3)c3ccccc23)cc1 27788789 MNSJHWHFBSNQQO-UHFFFAOYSA-N 424.382 5.038 0 40 HKAB Cc1nn(-c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c(C)c1Cl 28573061 IVAWLBGSWGHYTA-UHFFFAOYSA-N 404.695 5.157 0 40 HKAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)[C@@H](C)Oc3ccccc3F)n2)cc1 32622916 ZEPSVILIIYYSDH-MRXNPFEDSA-N 417.440 5.257 0 40 HKAB O=C(CSc1nnc(C2CCCCC2)o1)N[C@@H](Cc1ccccc1)c1ccccc1 32724141 IVTLHSXBALBKFK-NRFANRHFSA-N 421.566 5.310 0 40 HKAB O=C(COc1cccc(-c2noc(-c3ccccc3F)n2)c1)Nc1ccccc1Cl 33327353 UQNULTQDDUQTGB-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB CCOc1c(Cl)cc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1OC 36393390 FUNMWTLQNUKOKI-UHFFFAOYSA-N 402.903 5.047 0 40 HKAB CCOC(=O)c1c(NC(=O)/C=C/c2cc3ccc(C)cc3o2)sc2c1CC[C@H](C)C2 67339746 BRCBTCDDYYKDCI-HQPKTYMTSA-N 423.534 5.756 0 40 HKAB FC(F)(F)Oc1cccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)c1 71760811 BJPSCDPLGPOKHX-UHFFFAOYSA-N 404.413 6.186 0 40 HKAB CC[C@@H](NC(=O)CSc1nnc(Nc2cccc(C)c2)s1)c1ccc(C)cc1 89947807 GLZGETXHSKWWMU-GOSISDBHSA-N 412.584 5.258 0 40 HKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl 106972092 ICIPSAMQIAFGDD-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1C 107952155 YMFXMTFNRNRRQL-UHFFFAOYSA-N 401.963 5.074 0 40 HKAB COc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 118916265 YIPJBSXSAMSSSQ-MYOPTMPASA-N 410.598 5.453 0 40 HKAB O=C(Nc1ccccc1Br)c1ccc(CN2CCc3ccccc32)cc1 216289720 MFVFYAIUGJEXAG-UHFFFAOYSA-N 407.311 5.264 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)NCc1nc(-c2ccccc2Cl)no1 219131881 SKIYBRTXIKRJLV-UHFFFAOYSA-N 417.896 5.228 0 40 HKAB Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223394005 MTMYQDDBOOOZAJ-JWQCQUIFSA-N 424.573 5.353 0 40 HKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 224241308 KTJKTVBWOXZLJK-RUZDIDTESA-N 420.597 5.021 0 40 HKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(Oc2ccccc2)cc1 224891915 DODSJXHUKSFPJN-UHFFFAOYSA-N 418.880 6.359 0 40 HKAB O=C(O)[C@H](Cc1ccccc1Oc1ccccc1)Oc1ccc(-c2ccccc2)cc1 225139092 KRQDXMUDDCUOHD-SANMLTNESA-N 410.469 6.221 0 40 HKAB Fc1ccccc1CSCCCNC(=S)Nc1cccc(Br)c1 225611620 JSNQJNPKTZIIRM-UHFFFAOYSA-N 413.381 5.198 0 40 HKAB CCOC(=O)c1cc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)ccc1Cl 225660864 PCTQXOHEQPDCBJ-HNNXBMFYSA-N 418.990 5.560 0 40 HKAB COc1ccc(CN2[C@H]3CC[C@H]2c2cccnc2C3)cc1OCc1ccc(F)cc1 247874309 GAIXMMQPZJDNTP-REWPJTCUSA-N 404.485 5.070 0 40 HKAB CC(=O)Oc1ccc(OC(C)=O)c(C[C@@]2(C)[C@H]3CCC[C@H](C)[C@@]3(C)CC[C@H]2C)c1 253490630 JNPCOXQSZZCMMB-PLPDYRPSSA-N 400.559 5.958 0 40 HKAB COc1ccc(CCN2CCC[C@H](c3ccc(Cc4cccc(F)c4)cn3)C2)cc1 257199986 ABNQHQAHTNFOBC-QHCPKHFHSA-N 404.529 5.242 0 40 HKAB CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(NC(C)=O)cc2)C1 257316580 VGEGVXBBPKKBEB-XJUOHMSHSA-N 414.933 5.176 0 40 HKAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)CC3CCCCCCC3)CC2)C1 257317488 VJXYLIOVPOCFGU-UHFFFAOYSA-N 412.618 5.401 0 40 HKAB COc1cccc(C(=S)NCCc2ccccc2)c1OCc1ccccc1Cl 408578551 YQXSUJQHSMUICX-UHFFFAOYSA-N 411.954 5.435 0 40 HKAB CC(C)(C)c1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(C(C)(C)C)c1O 409108138 VQOBILJUFZHNOK-SXGWCWSVSA-N 417.471 6.499 0 40 HKAB CCc1ccc(NCc2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 409110317 BOIFJLOWXIZWPM-UHFFFAOYSA-N 400.349 7.055 0 40 HKAB Cc1cccc(NCc2c(OCc3cccc(Cl)c3)ccc3ccccc23)c1C 409115582 SEZLYXPHMIXIBG-UHFFFAOYSA-N 401.937 7.301 0 40 HKAB O=C1S/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N1CCCc1ccccc1 409143613 MTOHSCHGNDVQBM-CAPFRKAQSA-N 421.543 6.100 0 40 HKAB CCOc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1ccc(F)cc1 409205027 NGKDEOBFKJDADY-UHFFFAOYSA-N 421.537 5.537 0 40 HKAB Cc1ccc(Cc2c(F)cccc2Cl)c(CC(=O)OCCCCCC(=O)O)c1 2060993136 IDXBMGAGNLIVAZ-UHFFFAOYSA-N 406.881 5.109 0 40 HKAB Nc1cc2c(cc1Br)-c1ccccc1C2(c1ccccc1)c1ccccc1 2113469538 YLXSTYDETZLIGV-UHFFFAOYSA-N 412.330 6.394 0 40 HKAB COc1ccc(Oc2coc3cc(OCc4ccccc4Cl)ccc3c2=O)cc1 945050 QTAOPAQKPYXTKO-UHFFFAOYSA-N 408.837 5.826 0 40 HKAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1cccc2ccccc12 949598 CNCPAMJISJJEPD-UHFFFAOYSA-N 400.434 5.095 0 40 HKAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)Nc3ccc(F)cc3)C3CCCC3)cc2c1 1371395 OPHGCENBYDEDHQ-UHFFFAOYSA-N 407.489 5.261 0 40 HKAB Cc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1F 1380137 ZDJCFSMMFYXIGM-QHCPKHFHSA-N 420.484 5.174 0 40 HKAB CCN(CC)CCC[C@H](C)N(Cc1ccccc1)C[C@H](O)c1ccc(Cl)cc1 1873684 QEENPCKLFQIRPP-RDPSFJRHSA-N 403.010 5.386 0 40 HKAB Cc1cccc(NC(=O)CSc2ncnc3scc(-c4ccc(F)cc4)c23)c1C 1942606 VOSBDFMRRIFLIR-UHFFFAOYSA-N 423.538 5.845 0 40 HKAB COc1cccc(Oc2c(C)oc3cc(OCc4ccc(C)cc4)ccc3c2=O)c1 2096695 AUUWXLSMXPMTGT-UHFFFAOYSA-N 402.446 5.790 0 40 HKAB biogenic CCOc1ccccc1N(C(=O)C1CCCCC1)c1nc(-c2ccccc2)c(C)s1 2170658 UDGQYOFJMNHFQI-UHFFFAOYSA-N 420.578 6.762 0 40 HKAB C[C@@H](c1ccc(-c2ccccc2)c(F)c1)c1nn2c(-c3ccccc3)nnc2s1 2183233 SZKMFTUYCOWZQU-HNNXBMFYSA-N 400.482 5.811 0 40 HKAB Clc1ccc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)cc1Cl 2266493 KFAVEXJFRKWOCP-UHFFFAOYSA-N 400.696 7.001 0 40 HKAB CC(C)Cc1nc2sc3c(NC4CCCCC4)ncnc3c2c2c1COC(C)(C)C2 2271066 DCWHDFRHTVLWFH-UHFFFAOYSA-N 424.614 6.034 0 40 HKAB CN1C(=O)N(c2cccc3ccccc23)[C@@H](NC(=O)Nc2cccc(Cl)c2)C1(C)C 2273718 TYTGFPFNRFDGQO-HXUWFJFHSA-N 422.916 5.291 0 40 HKAB CSc1nc(SC)c2sc3nc(C(C)C)c4c(c3c2n1)CC(C)(C)OC4 2409711 LWMXCLOGVPSOBX-UHFFFAOYSA-N 405.614 5.658 0 40 HKAB COc1ccccc1[C@H](Nc1cccc(C(F)(F)F)c1)c1c(C)[nH]c2ccccc12 2546255 WSPDFYANMVHTKP-QHCPKHFHSA-N 410.439 6.705 0 40 HKAB CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 3293280 OZWGZAKQGAXMEZ-QGZVFWFLSA-N 422.598 5.232 0 40 HKAB Cc1ccccc1-c1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 4079064 YJZFLWFUEIUPTF-UHFFFAOYSA-N 408.708 5.182 0 40 HKAB Cc1ccc(-n2cc(C(=O)c3ccccc3OCc3ccccc3Cl)cn2)cc1 4089292 WQJNHVFKXCJRCZ-UHFFFAOYSA-N 402.881 5.644 0 40 HKAB CCOC(=O)CSc1nc(CCc2ccccc2)nc2sc3c(c12)CCCC3 4240936 ZVIKVLIDZTXREE-UHFFFAOYSA-N 412.580 5.011 0 40 HKAB Cc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cccc(Cl)c2C)cc1 4518085 HGCOPPURXVOADZ-UHFFFAOYSA-N 423.948 5.513 0 40 HKAB CC(C)C1=CC2=CC[C@H]3[C@@](C)(COC(=O)CSC(C)(C)C)CCC[C@]3(C)[C@@H]2CC1 4804332 XFHWWPKUODMDOZ-USXZWKKNSA-N 418.687 7.197 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1 4906074 XXYUAXPTAPCFQY-UHFFFAOYSA-N 407.300 6.769 0 40 HKAB CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CC[C@@H](c4ccccc4)C[C@H]32)C(=O)C1 4914225 ASFIVQACLZMLMF-GCJKJVERSA-N 421.968 5.593 0 40 HKAB CCOC(=O)c1c(NC(=O)CCSc2ccc(C)cc2)sc2c1CCCC2 5191176 LVGJHXCQXSKKAK-UHFFFAOYSA-N 403.569 5.233 0 40 HKAB CCCCN1C(=O)[C@@]2(Nc3ccccc3-c3nc4ccccc4n32)c2cc(C)ccc21 5453411 QGSGUZXBLMOXLB-AREMUKBSSA-N 408.505 5.285 0 40 HKAB COc1ccc(-n2c(SCc3cc(C)ccc3C)nnc2-c2cccc(C)c2)cc1 5484631 BFTLEKXAYQEFCD-UHFFFAOYSA-N 415.562 6.160 0 40 HKAB CC(C)c1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 5498588 OXOJZYITOBBDIY-UHFFFAOYSA-N 412.583 7.618 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4cc(C)ccc4o3)c2)cc1 5814482 DEYAZGMUZGSOTR-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)c(OC)c2)N3)C1 6396213 KHPSDLSAAUFYLD-XOBRGWDASA-N 414.571 5.735 0 40 HKAB CCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O 6635482 BHACOWIPXMSTLJ-WJDWOHSUSA-N 406.301 5.546 0 40 HKAB CCC(=O)N1c2ccccc2[C@H](N(C(=O)Nc2ccccc2)c2ccccc2)C[C@H]1C 6759019 HWWPGHGGWNLTCF-NTKDMRAZSA-N 413.521 6.002 0 40 HKAB O=C(CCCSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccc(F)cc1 7789519 QYEMTSQERZXIAO-UHFFFAOYSA-N 420.513 5.656 0 40 HKAB Cc1cc(C)c(NC(=O)CN(C)Cc2csc(-c3ccc(Cl)cc3)n2)c(C)c1 8203017 KOSZCQFOQDIIDT-UHFFFAOYSA-N 413.974 5.459 0 40 HKAB COc1ccccc1C(=O)Nc1cc2nn(-c3cccc4ccccc34)nc2cc1C 8367682 GUARCSXSQZMJBP-UHFFFAOYSA-N 408.461 5.143 0 40 HKAB COc1ccc2[nH]c(=O)c(-c3nc4ccccn4c3Nc3ccc(C)cc3C)cc2c1 9307569 FMGYPGDNRFNCBW-UHFFFAOYSA-N 410.477 5.212 0 40 HKAB CCCCC[C@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 9355609 IEWCDHIFBFMGQW-AVRWGWEMSA-N 417.553 5.188 0 40 HKAB Cc1ccc(-c2cc(OC(=O)COc3c(C)cccc3C)cc3sc(=O)oc23)cc1 9408850 FIJIOZAZJACVNZ-UHFFFAOYSA-N 420.486 5.431 0 40 HKAB CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 9989050 QPNXSNXYRTYLOA-GFCCVEGCSA-N 421.353 5.391 0 40 HKAB O=C(Nc1ccc(NC(=O)c2ccc(F)cc2F)c(C(F)(F)F)c1)c1ccco1 10965035 HAPPDEFJEJSTEX-UHFFFAOYSA-N 410.298 5.081 0 40 HKAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)/C=C/c2cccc(F)c2)c1 11088967 PQWLHJXGOXXGFQ-IQGVVSCOSA-N 416.496 5.587 0 40 HKAB Cc1ccccc1-n1cc(-c2ccccc2)nc1SCC(=O)c1ccc(Cl)cc1 12574940 UXSUDJVOCWBPSB-UHFFFAOYSA-N 418.949 6.476 0 40 HKAB Cc1nc(CSc2ccc(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)cc2)cs1 12730465 RQMIKVPXVFOAEP-HUUCEWRRSA-N 414.518 5.595 0 40 HKAB CCOC(=O)c1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)c(C)c1 13671795 SAZCTVYTRSGUOZ-UHFFFAOYSA-N 412.338 5.350 0 40 HKAB Cc1ccc(C(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2Cl)cc1 16291978 LQCGZWHBZGQVSZ-FQEVSTJZSA-N 403.869 5.218 0 40 HKAB COc1cccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)c1OC 16960751 RZBFRYXSONSYBO-UHFFFAOYSA-N 415.323 5.448 0 40 HKAB O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(OCc2ccccc2)cc1 17090149 MLQLHGQQHGKZFQ-UHFFFAOYSA-N 414.889 5.185 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1 19931551 KSHXKQBCVSGCEB-SANMLTNESA-N 401.550 6.121 0 40 HKAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)C(c1ccccc1)c1ccccc1 20137065 HKXLPVFEEBRXSF-UHFFFAOYSA-N 417.892 5.863 0 40 HKAB O=C(Nc1ccccc1Br)c1cccnc1Nc1ccccc1Cl 22072674 FPNPLMANAQSJMZ-UHFFFAOYSA-N 402.679 5.493 0 40 HKAB Cc1ccc(SC(Sc2ccc(C)cc2)=C2N=C(c3ccccc3)OC2=O)cc1 27562083 XWSAXBSVZMVQDK-UHFFFAOYSA-N 417.555 6.361 0 40 HKAB Cc1cc(OCC(=O)N(Cc2ccco2)c2cccc(Cl)c2)cc(C)c1Cl 27795728 JVDMQPYGACRQER-UHFFFAOYSA-N 404.293 5.815 0 40 HKAB CSc1ccc(Cl)c(C(=O)Nc2c(C)nn(Cc3cccc(F)c3)c2C)c1 27922319 IRNDZTNOTGPFJV-UHFFFAOYSA-N 403.910 5.315 0 40 HKAB CC1CCN(Cn2nc(Nc3ccc(OC(F)(F)F)cc3)sc2=S)CC1 28705455 NKHDKGBFAWPBFP-UHFFFAOYSA-N 404.483 5.006 0 40 HKAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2cccc3ccccc23)cc1OCC 30754076 KHGPGTOYCUDZHA-OAQYLSRUSA-N 407.510 5.111 0 40 HKAB CCCCN1C(=O)COc2ccc(NC(=O)c3oc4ccc(Cl)cc4c3C)cc21 32593579 BBZGYZUSOLCYHC-UHFFFAOYSA-N 412.873 5.172 0 40 HKAB O=C1[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)cc1 33379930 NHXJRNUANRWJRJ-YQORSWRPSA-N 420.295 5.087 0 40 HKAB CC(=O)Nc1cccc([C@H](C)NC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 40098577 GVMSHBSBKYTCRY-VIFPVBQESA-N 400.693 5.488 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(C)c1Cl 40913197 UIJGJBBKEKHGAR-GOSISDBHSA-N 409.913 5.942 0 40 HKAB Cc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Br)n2)c(C)c1 48326872 IULQDTCCGSYKIG-UHFFFAOYSA-N 405.317 5.652 0 40 HKAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccccc1Sc1ccccc1 57364144 HNBACUXLISJKJX-UHFFFAOYSA-N 424.569 6.156 0 40 HKAB CCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1 58378265 FKUQQOLBTKYHDC-UHFFFAOYSA-N 417.896 5.844 0 40 HKAB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1Cl 59268828 FXHRMYNRZPAVKQ-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB C[C@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 60168521 NCMLPWYLZXCKJP-AWEZNQCLSA-N 416.308 5.407 0 40 HKAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)cc1Cl 67298218 OOANMIACVWIQOG-NMWGTECJSA-N 411.870 5.041 0 40 HKAB Cc1c(-c2nc(-c3ccccc3)cs2)nnn1-c1ccc(OCc2ccccc2)cc1 67341705 FAUZDQNHVQRJEO-UHFFFAOYSA-N 424.529 5.945 0 40 HKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 72215163 YLNOEWZPHUJGPW-NFBKMPQASA-N 423.601 6.349 0 40 HKAB COCCn1c(C(=O)Nc2cccc(OC)c2)cc2c1c1ccccc1n2C(C)C 96146367 POEAWSGVENAKKG-UHFFFAOYSA-N 405.498 5.084 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 102834150 HMXVEDOBUCVTKW-ZLAQHTEHSA-N 412.965 5.379 0 40 HKAB CCOc1ccc([C@H]2CCCN2S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 141524359 GLAFPJHEBOYVHC-LJQANCHMSA-N 414.354 5.059 0 40 HKAB COc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2Cl)C1=O 214103082 GOKNHSPMWXWZIW-UDWIEESQSA-N 409.894 5.738 0 40 HKAB CCc1ccc(OCC(=O)NCCCc2ccc(C(C)C)cc2)c(Br)c1 218868375 RTVWZTTZLNAGKV-UHFFFAOYSA-N 418.375 5.263 0 40 HKAB Cn1c(Cl)nc2ccc(C(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)cc21 222554892 QYAROGIAPBJKDD-UHFFFAOYSA-N 400.265 5.070 0 40 HKAB CC(C)c1ccccc1OCCNC(=O)CSCc1c(Cl)cccc1Cl 223748408 MLRKQHUEJWVSHA-UHFFFAOYSA-N 412.382 5.545 0 40 HKAB Cc1cnc(NC(=S)NCC2(c3ccccc3)CCCCC2)c(Br)c1 223991240 CFJUNHXWTLWTDG-UHFFFAOYSA-N 418.404 5.341 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1C 224379950 GXMFOWZPMJIHOE-SFHVURJKSA-N 423.940 6.117 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1cc(C)cc(C)c1 224531211 PTJNYIPHVYGZTM-UHFFFAOYSA-N 403.522 6.096 0 40 HKAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1 225023968 HQZUDENLBFWTNR-SFHVURJKSA-N 421.562 5.796 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1C1CCCC1 225025676 SKDUNOPYXNMIDV-FCHUYYIVSA-N 421.591 5.741 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c2ccccc12 225680927 YCLZPDXISTZLIC-UHFFFAOYSA-N 401.550 6.778 0 40 HKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1ccc(F)cc1F 225831813 COCRBBBPOMQLOW-UHFFFAOYSA-N 405.404 5.253 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ncccc34)CCCC2)c1 225860870 ZGTSYTKFQGMLDY-UHFFFAOYSA-N 402.538 6.029 0 40 HKAB S=C(NCc1ccccc1)c1ccc(OCc2ccccc2Cl)c(Cl)c1 408572437 HAIGFTWUVOGWQU-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB Cc1cc(Br)ccc1NCc1cccc(OCc2cccc(F)c2)c1 408607348 KATDBHLRLDIMRC-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)cc1 408693705 CEAFEJUTGNZACN-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccccc2)c(C)c1 408696984 DEOFDDMLGIRBRR-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C(Nc1ccccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 408971878 LJXPLYLYWOHLEF-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB CCOc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1 409110869 ANUJLLLXDZBNAK-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB CCOc1cc(CNc2ccccc2CC)cc(Cl)c1OCc1cccc(F)c1 409111739 BWUBNFMDRVWAHE-UHFFFAOYSA-N 413.920 6.631 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 409120185 SGFLBGHKNCZONC-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(CC)cc1 409199503 DDNOQLRKGZVJRL-UHFFFAOYSA-N 422.598 5.237 0 40 HKAB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc2)cc1 409236222 SAOQVPRMIMTVAL-JCMHNJIXSA-N 417.555 6.383 0 40 HKAB Cc1ccc(OCc2nc(CC(C)C)c(-c3ccc(Cl)cc3)cc2C(=O)O)c(C)c1 585264989 AIOKSSJWRZFWOZ-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(/C=C\c4ccccc4)=CC[C@@H]32)C1 2049238315 FLDVEKQSXXBPDV-BVCQDAHNSA-N 418.621 7.211 0 40 HKAB Cc1cc(Oc2coc3cc(OCC(=O)OC(C)C)ccc3c2=O)cc(C)c1Cl 950732 LRJMBNHQHAFBRU-UHFFFAOYSA-N 416.857 5.186 0 40 HKAB Cc1ccc2nc3sc(C(=O)Nc4ccccc4Br)c(N)c3cc2c1 976954 OTUUCLQUMODTAR-UHFFFAOYSA-N 412.312 5.355 0 40 HKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)c3ccccc3)cc2c1 1359645 VPAULABULVDXEH-UHFFFAOYSA-N 414.480 5.127 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)Cc4ccccc4)c3)nc2c1 1847254 TZZUBWBYJOSNPH-INIZCTEOSA-N 418.924 6.843 0 40 HKAB CC(C)c1ccccc1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 2088250 YGBPZGQZWXEZHG-UHFFFAOYSA-N 400.909 6.931 0 40 HKAB O=C(COc1ccc2ccccc2c1Br)Oc1ccc2ccccc2c1 2134601 WHDMBGYUQQNPOX-UHFFFAOYSA-N 407.263 5.740 0 40 HKAB Cc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)c(=O)c3ccccc3n2C)cc1 2230204 WMXMOQISRCZTRZ-UHFFFAOYSA-N 402.881 5.420 0 40 HKAB CN1C(=O)N(c2cccc3ccccc23)[C@H](NC(=O)Nc2cccc(Cl)c2)C1(C)C 2273717 TYTGFPFNRFDGQO-FQEVSTJZSA-N 422.916 5.291 0 40 HKAB Clc1ccc(-c2nnc(SC(c3ccccc3)c3ccccc3)o2)c(Cl)c1 2336944 RTUMUGJRFIKBNT-UHFFFAOYSA-N 413.329 6.925 0 40 HKAB O=C1Nc2ccc(Br)cc2[C@H](c2ccccc2Cl)[C@H]1N1CCCCC1 2352721 WADJIXHIJZUNAV-RBUKOAKNSA-N 419.750 5.041 0 40 HKAB COc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 2714051 MVIZGONOJMXBFO-UHFFFAOYSA-N 406.489 5.708 0 40 HKAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 3333150 GKUXXZITIANTII-UHFFFAOYSA-N 418.537 5.031 0 40 HKAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1C(F)(F)F 3350749 YKWKICOFKVEMMQ-IBGZPJMESA-N 408.423 5.749 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1NCc1ccccc1 3371461 GGZTULRRKMIFMV-UHFFFAOYSA-N 420.727 6.903 0 40 HKAB CC(C)COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)cc1 3667553 QIURJUYTBXKMRM-SANMLTNESA-N 414.549 6.616 0 40 HKAB CCCCc1cc(=O)oc2cc(C)c3c(-c4ccc(-c5ccccc5)cc4)coc3c12 4043306 IVWMIALYMAYMKO-UHFFFAOYSA-N 408.497 7.524 0 40 HKAB biogenic O=C(Cc1ccc(Cl)cc1)Nc1cccc(-c2nc3cc4ccccc4cc3[nH]2)c1 4557830 SYAYMKNQGHPMGS-UHFFFAOYSA-N 411.892 6.218 0 40 HKAB CCCC/C=C/[C@H]1C=C[C@@H](CCCCCCCC(=O)OCC)[C@@H](C(=O)OCC)C1 4886816 MGASPNORXQCYDN-FYTMTCGPSA-N 406.607 6.398 0 40 HKAB CN(CC(=O)Nc1sc2c(c1C(=O)c1cccs1)CCCC2)C1CCCCC1 4889914 JWXQHPZDUMWFAT-UHFFFAOYSA-N 416.612 5.122 0 40 HKAB CCCCCC[C@@H](C)OC(=O)CCSCCC(=O)O[C@H](C)CCCCCC 4897231 CNJFANVNNVEFCV-WOJBJXKFSA-N 402.641 6.304 0 40 HKAB CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C 5036619 MZTHFTQLAVOQPU-UHFFFAOYSA-N 423.582 5.044 0 40 HKAB Cc1ccc2c(c1)[C@@H]1CC(c3ccccc3Cl)=NN1C1(CCN(C(C)C)CC1)O2 5297340 KAJBUMKEKNZLFR-QFIPXVFZSA-N 409.961 5.392 0 40 HKAB CC(=O)CSc1c(Cc2ccccc2)c(C)nc2c(-c3ccccc3)c(C)nn12 5561522 QHJFXDSNCOFJSC-UHFFFAOYSA-N 401.535 5.285 0 40 HKAB COc1ccccc1CNC[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 6050083 LOJGETLPSBIKHH-PKTNWEFCSA-N 405.626 6.619 0 40 HKAB Clc1ccc(-c2nnc(CSc3nnc(-c4ccc(Cl)cc4)o3)o2)cc1 6326520 PVXUXGWPSSPPMU-UHFFFAOYSA-N 405.266 5.386 0 40 HKAB C[C@@H]1CCCN(C(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)C1 6561296 LWHRLGZLLMSMSZ-HXUWFJFHSA-N 406.529 6.441 0 40 HKAB O[C@@](CCN1CC2CCC(CC2)C1)(c1ccccc1)c1ccc(Br)cc1 6581986 WFSFMHOXGCCDGJ-XWEVFREBSA-N 414.387 5.197 0 40 HKAB COc1ccc(NC(=O)Nc2ccc(C)cc2)cc1NC(=O)Nc1ccc(C)cc1 6814621 XOHXMTWEAQVKMZ-UHFFFAOYSA-N 404.470 5.600 0 40 HKAB C[C@H]1CCc2c(sc3nc([C@H](C)N(C)Cc4c(F)cccc4Cl)[nH]c(=O)c23)C1 7001411 ZEYACCATCPNICM-RYUDHWBXSA-N 419.953 5.095 0 40 HKAB CCCCN(C)c1nc(Nc2cccc(Cl)c2)c2cnn(-c3ccccc3)c2n1 7452149 NFEIFOPJQDOWIT-UHFFFAOYSA-N 406.921 5.449 0 40 HKAB Fc1cccc(-c2nnn3c2nc(NCCc2ccccc2)c2cc(Cl)ccc23)c1 8757144 XNHIBXCOIWLOMY-UHFFFAOYSA-N 417.875 5.392 0 40 HKAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCC3CCCC3)cc21 8959925 YREDBELJBLVXMN-UHFFFAOYSA-N 400.563 5.393 0 40 HKAB Cc1nc2ccc(NC(=O)CSc3nnc(-c4ccccc4Cl)o3)cc2s1 9128158 ILBZWNBDWDYNBM-UHFFFAOYSA-N 416.915 5.039 0 40 HKAB O=C(CSc1nnc(-c2cccnc2)n1C1CC1)c1cc2cc(Cl)ccc2o1 9376903 QVYKWKDZNMVLRW-UHFFFAOYSA-N 410.886 5.050 0 40 HKAB COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cccc(C)c2)c1 9427645 QMAAFANCJSFUCE-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1cccs1)C(=O)N2c1ccc(Cl)cc1 9604445 IXPJSHUJVZZMMO-JTSKRJEESA-N 424.909 5.724 0 40 HKAB Cc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@@H](/C=C/c1ccccc1)C3 10156914 MGCNKKHDIXXKHK-DVQDXYAYSA-N 414.896 5.212 0 40 HKAB Cc1cc(C)c2nc(Nc3ncc4c(n3)C[C@@H](c3cccs3)CC4=O)nc(C)c2c1 10157486 FVVJLEASNVVNSB-OAHLLOKOSA-N 415.522 5.063 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1 10314468 LNCKWWOGRQRKDA-UHFFFAOYSA-N 422.550 5.391 0 40 HKAB CCOc1ccc(NC(=O)c2c(-c3ccc(OC)cc3)oc3ccc(OC)cc23)cc1 11866446 HPKPTPBZEZYSLA-UHFFFAOYSA-N 417.461 5.768 0 40 HKAB biogenic CCOc1ccc([C@@]23Oc4ccccc4[C@H](c4ccccc4)[C@@H]2C3(Cl)Cl)cc1 12318507 CTUJYKBLFJUAQV-RJGXRXQPSA-N 411.328 6.309 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)N1CCC[C@H]1c1nc2ccccc2s1 12598820 XTDZXFOPYUGQJV-SFHVURJKSA-N 416.999 6.186 0 40 HKAB Cc1cccc(N2C(=O)/C(=C\Nc3cccc(C(F)(F)F)c3)c3ccccc3C2=O)n1 12651803 HEPCGIJOZTXOKR-UYRXBGFRSA-N 423.394 5.049 0 40 HKAB COc1cc(/C=C(\Cl)c2nc(-c3ccsc3)no2)cc(Cl)c1OC(C)C 12856886 OPHGZRCKEFXNFB-AUWJEWJLSA-N 411.310 5.984 0 40 HKAB O=S(=O)(c1c(Cl)cccc1Cl)N1CCC[C@@H]1c1nc2ccccc2s1 12984879 LVHZJJIFHMVGIS-CQSZACIVSA-N 413.351 5.129 0 40 HKAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 13710504 YYZZMOFTCIBMAA-OAHLLOKOSA-N 412.382 5.427 0 40 HKAB Cc1ccc2c(c1)[C@@H](Sc1cccc3cccnc13)C[C@H](C)N2C(=O)c1ccccc1 13940610 VNPKWWHWPUNQTI-DFBJGRDBSA-N 424.569 6.816 0 40 HKAB CCc1cccc2c(/C=C3/SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)c[nH]c12 15008703 PZELZPTURRWCSL-QGMBQPNBSA-N 414.889 5.759 0 40 HKAB CC[C@H](C)[C@H](C(=O)Nc1nc2ccc(Br)cc2s1)c1ccccc1 15583642 PBUNYVUZBUNPFF-SJCJKPOMSA-N 403.345 5.827 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 17089768 DWDBYVDKOGVCGE-SLZMIMFISA-N 414.332 7.419 0 40 HKAB c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCN(Cc4ccncc4)C3)n2)cc1 19373152 JYWGJMUIFKBZSO-QFIPXVFZSA-N 422.536 5.057 0 40 HKAB CN(C)c1ccc([C@H](CNC(=O)c2cc(F)ccc2F)c2c[nH]c3ccccc23)cc1 21620453 YAPHFJZZJKLNNQ-NRFANRHFSA-N 419.475 5.074 0 40 HKAB O=C(c1ccco1)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 26131613 GTXJOVBGBKBBDD-OAHLLOKOSA-N 422.428 5.248 0 40 HKAB COc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)c2ccccc2Cl)cc1 28287744 IQMJMJDNMPSIQE-HSZRJFAPSA-N 404.897 5.692 0 40 HKAB CCOc1ccccc1C(=O)N(CC)[C@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 32622430 LUDGNMYTGOMWND-AREMUKBSSA-N 412.533 6.127 0 40 HKAB O=C1[C@@H](c2ccccc2)[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@@H]1c1ccccc1 33926919 CRLQJTSACHTAGF-YVHASNINSA-N 403.525 6.209 0 40 HKAB O=C(NCc1cccc(F)c1)c1ccccc1SC[C@H]1CCCN2CCCC[C@H]12 36056946 LPNFTHYQNAWEIM-DENIHFKCSA-N 412.574 5.112 0 40 HKAB Cc1ccc(-c2csc3c(=O)n(CC(=O)Nc4ccc(C(C)C)cc4)cnc23)cc1 38651726 KHZRWEIWWOZUBU-UHFFFAOYSA-N 417.534 5.196 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38849518 QBDSPQCWQBBKAA-UHFFFAOYSA-N 411.760 5.806 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)C3CCN(Cc4ccccc4)CC3)ccc21 39757351 UUMWLJMKHPAVNW-UHFFFAOYSA-N 411.549 5.665 0 40 HKAB COc1ccc([C@@H](NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)C2CC2)cc1 40086838 KGJLMTZJZAGZSI-DEOSSOPVSA-N 414.505 5.137 0 40 HKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1)C1CC1 72215418 TYBSGOQPOYJZDF-NRFANRHFSA-N 421.541 5.353 0 40 HKAB COc1ccc(CC(=O)N2CCC[C@H]2c2cccc(Cc3ccc(Cl)cc3)n2)cc1 72357977 GYACUUCAHLHLMX-DEOSSOPVSA-N 420.940 5.241 0 40 HKAB C[C@H](Nc1ncc(C(F)(F)F)cc1Cl)c1cc(F)ccc1N1CCC(O)CC1 78656532 AEUAUSVFJXUDQE-NSHDSACASA-N 417.834 5.027 0 40 HKAB Cc1ccc2c(-c3cc4c(CN5CCCCC5)cnc(C)c4o3)cc(=O)oc2c1C 95480218 NTRRXEZASZWMIL-UHFFFAOYSA-N 402.494 5.512 0 40 HKAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1nc(-c2ccccn2)cs1 96231642 WDZFZHXUCYXXLI-KRWDZBQOSA-N 422.941 5.473 0 40 HKAB Cc1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)cc1C 101092444 PZZKMYNTCGZPIC-QFBILLFUSA-N 403.345 5.000 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OCC 107900719 HWMOMTNFFRASPS-UHFFFAOYSA-N 402.705 6.087 0 40 HKAB S=C(c1cc(Br)ccc1OCc1ccc(Cl)cc1)N1CCCC1 107977598 YFZXEHJUKSGDOP-UHFFFAOYSA-N 410.764 5.453 0 40 HKAB CCOc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 118916209 SDDXAJAVPWQDGV-ZGVUGNRNSA-N 408.626 6.872 0 40 HKAB Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225010311 RWVKWMDSOFCFQL-DHIUTWEWSA-N 402.567 5.096 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C(F)(F)F 225767737 JXTBWPUIESOKDS-UHFFFAOYSA-N 421.459 5.953 0 40 HKAB Cc1ccc(OCc2nc(CC(C)C)c(-c3ccccc3F)cc2C(=O)O)cc1C 257232561 GLJVOKRMGRCVQQ-UHFFFAOYSA-N 407.485 5.980 0 40 HKAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2)cc1OCC 408566374 GACGUHWJCAQVAP-WUXMJOGZSA-N 404.304 5.289 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2SC)cc1 408675798 KPRHFDXOAHYFQX-UHFFFAOYSA-N 416.502 5.158 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408680455 ZBZYGYJTTXGGMF-UHFFFAOYSA-N 406.844 5.529 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2cccc(C)c2)cc1 408697914 MRRNKYVWEXMGMF-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2cccc(Cl)c2C)c1 408698668 RCWJXHAPLZOKDV-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CC(C)N1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C1=O 409021958 AYFBFRXSUJJNGC-HYARGMPZSA-N 403.503 5.864 0 40 HKAB CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O 409090046 PYNRUOUIFDMXFI-RQZCQDPDSA-N 408.306 5.629 0 40 HKAB Cc1ccccc1NCc1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 409111072 AODCEXOEMTWWSC-UHFFFAOYSA-N 422.355 7.646 0 40 HKAB CCc1ccccc1NCc1cc(Cl)c(OCc2ccc(C)cc2)c(Cl)c1 409112150 BOZNGNBHFNEMBM-UHFFFAOYSA-N 400.349 7.055 0 40 HKAB CCC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 409177946 HOJNPZBIVIKOTP-HSZRJFAPSA-N 421.880 5.470 0 40 HKAB CCCN1C(=O)S/C(=C/c2cccc(OC)c2OCc2ccc(Cl)cc2)C1=O 409363141 TWZZSPYTOXKHDL-LDADJPATSA-N 417.914 5.374 0 40 HKAB COc1ccc(N2C(=O)c3ccccc3NC23CCN([C@@H]2CCC[C@@H](C)C2)CC3)cc1 506287042 YJJASTAKZWUKPP-TZIWHRDSSA-N 419.569 5.138 0 40 HKAB COC(=O)[C@H](C)c1ccc([C@H](O)CC(C)(C)C)c(-c2ccc(C(F)(F)F)cc2)c1 575362705 OIMSINFCTJBCIN-JLTOFOAXSA-N 408.460 6.119 0 40 HKAB COc1ccccc1N1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1 626964 FDBJJWLKTHHDMT-UHFFFAOYSA-N 419.912 5.355 0 40 HKAB CCOc1ccc(-c2csc(NC(=O)CCCOc3ccc(C)cc3C)n2)cc1 1914066 CUCIDEJWXXMPEJ-UHFFFAOYSA-N 410.539 5.623 0 40 HKAB Cc1coc2cc3oc(=O)c(CCC(=O)NCc4ccccc4Cl)c(C)c3cc12 2095761 XURFWWBVADUSQL-UHFFFAOYSA-N 409.869 5.058 0 40 HKAB aggregator,biogenic Cn1c(NC(=O)c2ccccc2Cl)c(-c2ccccc2Cl)c(=O)c2ccccc21 2363272 OUBJUBHJUNSEIP-UHFFFAOYSA-N 423.299 5.765 0 40 HKAB CCCCc1nc2sc3c(NCc4ccco4)nc(SC)nc3c2c2c1CCC2 2430648 FTGPAZSCVPNJIC-UHFFFAOYSA-N 424.595 5.998 0 40 HKAB Cc1cc(O)cc2c1O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CC2 2539737 GZIFEOYASATJEH-BCQCSXDESA-N 402.663 8.223 0 40 HKAB biogenic,in-vitro COc1ccc(-n2cc(-c3ccccc3)c3c(N[C@H](C)c4ccccc4)ncnc32)cc1 2974701 BPWLWNHYOBSARB-LJQANCHMSA-N 420.516 6.269 0 40 HKAB CCCCCOc1ccc(NC(=O)c2ccccc2I)cc1 3150683 KEJZNARNLPECBK-UHFFFAOYSA-N 409.267 5.113 0 40 HKAB Cc1ccc(Nc2nnc(SCc3csc(-c4ccccc4)n3)s2)c(C)c1 3328644 VHNQTKMPFNUHBI-UHFFFAOYSA-N 410.593 6.314 0 40 HKAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 3355126 NJLQOZSJBTVZBL-UHFFFAOYSA-N 420.538 5.137 0 40 HKAB Cc1ccc([C@H](NC(=O)Cc2cccs2)C(=O)Nc2ccc(C(C)C)cc2)cc1 3615580 NVIATWLNBZHMHN-QHCPKHFHSA-N 406.551 5.219 0 40 HKAB Cc1ccc2c(c1)Oc1ccc(NC(=O)c3ccc(Cl)cc3Cl)cc1C(=O)N2 4105316 XRXQWXIVYMQKFH-UHFFFAOYSA-N 413.260 5.912 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2CCCN=C2SCc2ccc(Cl)cc2)cc1 4105519 YWYRCMSDBQKNIU-UHFFFAOYSA-N 400.975 5.773 0 40 HKAB CCOc1cccc2cc(-c3cc(=O)oc4cc(OCC=C(C)C)ccc34)c(=O)oc12 4340024 LJDBDWZWZAWTAC-UHFFFAOYSA-N 418.445 5.310 0 40 HKAB biogenic COc1ccc(-c2c3c(nc4sc5c(SC)nc(C)nc5c24)CCCC3)cc1 4666734 JOMOCTKIZDEZAQ-UHFFFAOYSA-N 407.564 5.824 0 40 HKAB CCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 4834874 OHYJGVXBBAKWQN-ZCYQVOJMSA-N 418.924 6.371 0 40 HKAB Cc1ccc(OCCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1C 4910940 PRPWLDQTYNFWOH-HXUWFJFHSA-N 419.569 5.237 0 40 HKAB Cc1cccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccccc3)[nH]2)c1 4927739 IZSBJXPSAZTYSP-UHFFFAOYSA-N 406.536 5.239 0 40 HKAB CCCCCCOC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc12 5030337 DCKODOGDWLAYJC-UHFFFAOYSA-N 416.525 5.510 0 40 HKAB O=C(CN1C(=O)C[C@@H](c2ccco2)Sc2ccccc21)Nc1cccc(Cl)c1 5053324 WTWDKIYTOVRMSN-IBGZPJMESA-N 412.898 5.142 0 40 HKAB COc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccc(Cl)cc3)nc2c1 5142277 GVSJFKJUKWUCFK-UHFFFAOYSA-N 409.898 5.200 0 40 HKAB CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccs4)=NN32)cc1 5547609 PXNQWUDHCGTFAP-CVDCTZTESA-N 406.507 5.398 0 40 HKAB Cc1cc(NC(=O)c2cc3ccccc3o2)ccc1NC(=O)c1cc2ccccc2o1 5960477 FAKZWLCENUAEBG-UHFFFAOYSA-N 410.429 5.992 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](NCc1ccco1)c1ccccc1 6086212 AXUDJJORLXCAQP-SFHVURJKSA-N 408.807 5.421 0 40 HKAB CC1CCC(Nc2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)CC1 6638919 PKWSYVPWVYQPJQ-UHFFFAOYSA-N 400.551 6.411 0 40 HKAB COc1ccccc1/N=c1\cc(-c2cc(OC)c(OC)c(OC)c2)oc2ccccc12 6661268 MDESBLPDCGIGHA-LGUFXXKBSA-N 417.461 5.367 0 40 HKAB Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2C[C@H]2CC2(Cl)Cl)CC1=O 7343666 FMARQULHVSDQAA-JKSUJKDBSA-N 414.336 5.059 0 40 HKAB O=C(COc1ccc(Cl)c2cccnc12)Nc1ccccc1Cc1ccccc1 7612243 BVLIHKYGELCWBN-UHFFFAOYSA-N 402.881 5.497 0 40 HKAB COc1ccc2cc(CN(C)CC(=O)Nc3c(Cl)ccc(C)c3Cl)ccc2c1 7926549 USUCWDYBPRRSNA-UHFFFAOYSA-N 417.336 5.534 0 40 HKAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 8161318 ZBMCIRMOVOBYSG-KBMIEXCESA-N 417.505 5.317 0 40 HKAB COCc1c(C(=O)Nc2cc(C(C)(C)C)ccc2OC)sc2cccc(F)c12 8402195 CPFGODRRCJXXSO-UHFFFAOYSA-N 401.503 5.745 0 40 HKAB CSc1nc(NCC(C)C)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 8657510 FXHFDUXUYNREKZ-UHFFFAOYSA-N 420.607 6.185 0 40 HKAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N[C@@H]1CCOc2ccccc21 9744176 HOKLWFSYSGXVSC-HSZRJFAPSA-N 414.480 5.547 0 40 HKAB COc1cccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(Cl)cc2)c1 11692009 AVPBTGNZZDMCJD-UHFFFAOYSA-N 421.905 5.843 0 40 HKAB COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)Cc3cccc(OC)c3)no2)cc1 12185490 UDAQYKCFICARNJ-QHCPKHFHSA-N 420.509 5.045 0 40 HKAB Cc1cc(NC(=O)c2cc3ccccc3o2)n(-c2nc(-c3ccccc3)cs2)n1 12441772 YEMDMOFAFGMQBV-UHFFFAOYSA-N 400.463 5.303 0 40 HKAB Clc1ccc(-c2n[nH]c(-c3ccccc3)c2Cc2nc3ccccc3s2)cc1 12576337 WKBQOGASSCGPHI-UHFFFAOYSA-N 401.922 6.598 0 40 HKAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC(Cc5ccccc5)CC4)[C@H]3C=C12 12661538 UQMJNEBBJGQUEV-OONXPTISSA-N 407.598 5.255 0 40 HKAB biogenic Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 13685721 NOFMGAHCNCTYRH-WOJBJXKFSA-N 416.521 5.200 0 40 HKAB CCn1nc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1C 13703697 FLJWRGDABLTTMG-UHFFFAOYSA-N 402.281 5.002 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)c1 14069825 BUUZZHXVKMKXPW-UHFFFAOYSA-N 421.353 5.137 0 40 HKAB COC(=O)c1cccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)c1 14788139 DSYUJFUWDIDMHM-UHFFFAOYSA-N 418.474 5.159 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccccc1I 15963721 AJQWWODIZKBANB-UHFFFAOYSA-N 415.230 5.336 0 40 HKAB COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C(=O)/C2=C\Nc1ccccc1C 17293357 NXERNUWGRWBFAU-JCMHNJIXSA-N 412.489 5.260 0 40 HKAB Cc1cc(Cc2c(F)cccc2F)cc(C2CCN(C(=O)c3ccccc3)CC2)n1 19691894 NMZKBWFVKVCRNR-UHFFFAOYSA-N 406.476 5.279 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2)N2CCOCC2)c1C 20193371 BSGMBMCNVBQUSR-QFIPXVFZSA-N 406.551 5.039 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1C 27747182 PILOYRKLDVNNHC-AWEZNQCLSA-N 415.287 5.127 0 40 HKAB Cc1noc(C)c1CSc1ccccc1C(=O)NCCCOC1CCCCC1 28668264 KHEYKZZLZSOVEH-UHFFFAOYSA-N 402.560 5.053 0 40 HKAB Cc1cccc(C)c1NC(=O)CCCSCc1nc(-c2ccccc2Cl)no1 32778701 ILMSRYOZMZJWAR-UHFFFAOYSA-N 415.946 5.659 0 40 HKAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)s2)cc1 36107969 YIZGYGXSKSQDBS-UHFFFAOYSA-N 406.429 5.610 0 40 HKAB O=C(CSc1ccccc1Cl)N1CCc2sccc2[C@H]1c1cccs1 39996904 ZRCWBVDDSKLELR-IBGZPJMESA-N 405.997 5.729 0 40 HKAB COc1cccc(-c2nc(CN(C)[C@@H](C)c3ccc(F)c(F)c3)cs2)c1OC 40039708 CORAUGMBSOOHJO-ZDUSSCGKSA-N 404.482 5.299 0 40 HKAB Cc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2-c2cccc(Cl)c2)cc1 44087300 BKXZYJLQOLCZCY-UHFFFAOYSA-N 411.958 5.216 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)CCC[C@@]45C[C@@]35CC[C@]12C 64624314 BSLYZLYLUUIFGZ-JRUDBKCSSA-N 412.746 9.278 0 40 HKAB in-vitro O=C(c1ccc(Br)o1)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccco1 79046906 CMSRODUIBCNDLV-CQSZACIVSA-N 419.662 5.280 0 40 HKAB COc1ccc(C(=O)NC2(c3noc(C(C)C)n3)CCCC2)cc1-c1ccccc1 89893584 ODAPMDQMOCJBRS-UHFFFAOYSA-N 405.498 5.068 0 40 HKAB Cc1ccccc1NC(=O)c1cc2c(c3ccccc3n2C(C)C)n1C(=O)N(C)C 96037369 KBZYOSRIQAGDNU-UHFFFAOYSA-N 402.498 5.267 0 40 HKAB Cc1c(-c2nnc3sc(Cc4ccc5c(c4)CCCC5)nn23)oc2ccccc12 96194270 SJBYJXPHCZAQHI-UHFFFAOYSA-N 400.507 5.377 0 40 HKAB Cc1ccc(Cn2cccc/c2=N\C(=O)c2cnc(-c3ccccc3Cl)s2)cc1 102099759 SSMIPZWUVKIAAL-YYADALCUSA-N 419.937 5.363 0 40 HKAB C[C@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)N1[C@H](C)CCC[C@H]1C 103414027 GVHRIGWZAPAXDC-WIRSXHRWSA-N 409.599 5.129 0 40 HKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1 106718780 SWZSOMZDTHQHLQ-KQWNVCNZSA-N 417.530 6.255 0 40 HKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1 106971726 MHYXPGQUMIZFAS-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1[C@@H](C)OC(C)=O 118927138 IZBSXDTURZCMRK-LCTZZSBFSA-N 404.591 5.529 0 40 HKAB CC(C)(C)OC(=O)N1CCC(c2cccc(Nc3ncc(C#CC4CC4)s3)n2)CC1 143115559 ZLYOIRCNQKFXLO-UHFFFAOYSA-N 424.570 5.158 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1CCc1ccccc1 219006221 HYKOSWRRESFYHX-DEOSSOPVSA-N 415.533 5.513 0 40 HKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2ccccc2)c1C 222988631 FDEHRSZWUXVJNC-BJKOFHAPSA-N 418.610 5.570 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1C(C)C 223320517 LACXIDOHOGIBCQ-KRWDZBQOSA-N 403.950 5.817 0 40 HKAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)c1 223675453 DLQWYKRATILELP-UHFFFAOYSA-N 417.983 6.050 0 40 HKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)ccc1F 224895500 NXCNZGFHFXPDKT-NHCUHLMSSA-N 408.546 5.263 0 40 HKAB COc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1 224958636 IJTINGXIVZRHHN-UHFFFAOYSA-N 418.880 5.601 0 40 HKAB S=C(NCCCN1CCCCCC1)Nc1ccc(CSc2ccccc2)cc1 225399701 TWEZLNCMISFESX-UHFFFAOYSA-N 413.656 5.531 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCSCc2ccccc2C)c1 225601539 CFGAOJRZABRDFH-UHFFFAOYSA-N 416.612 5.090 0 40 HKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1 225836007 CXMIDTSOUUIDBD-UHFFFAOYSA-N 404.297 5.738 0 40 HKAB CCOC(=O)c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 226318524 UZANGZCOAKIRLO-UHFFFAOYSA-N 404.087 5.512 0 40 HKAB O=C(c1cccc(Oc2ccc(F)cc2)c1)N1[C@H]2CC[C@H]1CC(Oc1ccncc1)C2 245026560 NAGHCJHDWYJDBZ-PMACEKPBSA-N 418.468 5.228 0 40 HKAB CC(C)(C)OC(=O)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3ccsc3)n2)C1 257201697 AIPUVPSTXMKJSZ-INIZCTEOSA-N 422.554 5.673 0 40 HKAB COc1ccc(C(=O)Oc2ccc(-c3ccc(-c4ccccc4)cc3)nn2)cc1OC 408529858 HTDUIYRBMFHSOB-UHFFFAOYSA-N 412.445 5.047 0 40 HKAB CCCc1sc(NC(=O)c2ccccc2Cl)nc1-c1cc(OC)cc(OC)c1 408821716 AJMAWWIEWGJLPF-UHFFFAOYSA-N 416.930 5.686 0 40 HKAB CCc1ccccc1NCc1cc(Cl)ccc1OCc1cccc2ccccc12 409111097 AZKCVQBJBRDSTK-UHFFFAOYSA-N 401.937 7.247 0 40 HKAB Cc1ccc(C)c(NCc2cc(Br)ccc2OCc2ccccc2F)c1 409118172 ZDAZKKBVIDEKNE-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)[C@@H]1C[C@H]2CC[C@H]1O2 504577512 KXFMTLJCTYIHON-ZTFGCOKTSA-N 404.329 5.106 0 40 HKAB Cc1cnc(Nc2cc(CC3CCN(Cc4ccc(Cl)nc4)CC3)ccn2)s1 2037846742 WYEMICCVAIHXMH-UHFFFAOYSA-N 413.978 5.093 0 40 HKAB CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 1984613 YLVUCNRLWCROBA-MRXNPFEDSA-N 403.906 5.483 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1 2215826 WOZQKXFUZCGTKK-UHFFFAOYSA-N 419.481 5.323 0 40 HKAB COc1ccccc1[C@@H](CCNC(=O)c1cccs1)c1ccc(OC(C)C)cc1 2251249 HLMIZRYOLYFCRC-FQEVSTJZSA-N 409.551 5.496 0 40 HKAB CCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)C[C@H](C(C)C)OC3 2322217 RGPOZKSIXXAGRR-QGZVFWFLSA-N 420.644 5.953 0 40 HKAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(C(C)(C)C)cc1 2444349 RMNDAQRTXMWQPO-UHFFFAOYSA-N 422.598 5.610 0 40 HKAB CCOc1ccc(C(C)=O)cc1COc1ncnc2scc(-c3ccccc3)c12 2639979 PDVRJGDFUNLXBM-UHFFFAOYSA-N 404.491 5.539 0 40 HKAB S=c1n(CN2CCc3ccccc3C2)nc(-c2cccs2)n1-c1ccccc1 2645496 WFOSMMYZSSIZGW-UHFFFAOYSA-N 404.564 5.148 0 40 HKAB COc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(Cl)cc3)c2C)cc1 2737586 MOANORFMXOUKPJ-UHFFFAOYSA-N 402.881 6.125 0 40 HKAB Cc1nc(C(=O)Nc2ccc(F)c(Cl)c2F)nn1-c1cc(Cl)ccc1Cl 3051070 BKUPUXSLBDPVJL-UHFFFAOYSA-N 417.630 5.066 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1cccn1-c1ncc(C(F)(F)F)cc1Cl 3133291 XLXITIMQVHZQCN-UHFFFAOYSA-N 415.202 5.842 0 40 HKAB COc1cc2c(cc1NC(=O)CSc1ccccc1C(=O)O)oc1ccccc12 3213738 YVRCQTNNXUJPSN-UHFFFAOYSA-N 407.447 5.024 0 40 HKAB COc1ccc(C(C)=O)cc1C[C@@H](C(=O)c1ccc(C2CCCCC2)cc1)N(C)C 3412784 ZABYQJCDTRKVMN-DEOSSOPVSA-N 407.554 5.301 0 40 HKAB C[C@H](Oc1ccccc1F)C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 3655467 ADYZZOFMUHGYGS-AWEZNQCLSA-N 421.399 5.348 0 40 HKAB CCCCn1c([C@@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 4033475 SWAFMDPSYIAIEA-OAHLLOKOSA-N 412.331 5.119 0 40 HKAB COc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)cc1Cl 4089127 MDGOSVHVJMUEFC-UHFFFAOYSA-N 408.910 5.047 0 40 HKAB CCOC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)nc(C23CC4CC(CC(C4)C2)C3)c1 4624259 ZSJRTCLXXIDVAI-UHFFFAOYSA-N 419.609 6.194 0 40 HKAB CCOC(=O)c1c(NC(=O)Nc2cccc3ccccc23)sc2c1CCCCC2 4646997 WFSQIZLVBYFSIX-UHFFFAOYSA-N 408.523 5.991 0 40 HKAB Cc1cccc(C)c1NC(=O)C1(N(C=O)Cc2ccccc2)CCC(C(C)(C)C)CC1 4672465 JAPRPKAQRZGPAM-UHFFFAOYSA-N 420.597 5.876 0 40 HKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccoc2C)n1CC(C)C 4860497 HPENZOMXIMHEKT-UHFFFAOYSA-N 412.559 5.104 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)C2(NC(=O)Nc3ccc(C)cc3)CCCCC2)cc1 4967919 KGWUBOCVMCFFAQ-IBGZPJMESA-N 407.558 5.972 0 40 HKAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1Cl 5032980 OUZVVRIXOLAXSU-AVRWGWEMSA-N 402.258 5.081 0 40 HKAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1ccccc1C(F)(F)F 5136167 MDAWHJQYHQBVIN-UHFFFAOYSA-N 414.383 5.144 0 40 HKAB Cc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cccc(Cl)c2)cc1 5223355 KLDWCSHEUBSJSU-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB CCc1cccc2c(C(=O)O)cc(-c3ccc(-c4cccc(Cl)c4Cl)o3)nc12 5237263 HRGBXNQQOISBGV-UHFFFAOYSA-N 412.272 6.729 0 40 HKAB CCCN(CCC)C(=O)[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 5554884 NNUJINLVFDXQLW-RUZDIDTESA-N 401.550 5.355 0 40 HKAB CCCC(=O)c1c(-c2ccc(F)cc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 5859139 HUINTNHXVSCLTF-UHFFFAOYSA-N 400.497 6.533 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4C)ccc3o2)cc1C 6033455 PGAAFNYJAQLKLB-UHFFFAOYSA-N 420.896 6.091 0 40 HKAB CC(C)N(C(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2)C(C)C 6083294 OGLJHYPUJQBRSM-SFHVURJKSA-N 424.585 5.188 0 40 HKAB O=C(O)CC/C=C/C[C@H]1CO[C@@H](c2ccccc2Cl)O[C@H]1c1ccccc1O 6095466 WHUIENZXNGAHQI-CBOBAISXSA-N 402.874 5.260 0 40 HKAB Cc1nnc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1-c1ccccc1 6334958 UZEIRPBLQRIHBF-UHFFFAOYSA-N 416.506 5.099 0 40 HKAB CC(=O)c1cccc(OCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 7687773 NMSWVQXVOQBHHP-UHFFFAOYSA-N 402.475 5.183 0 40 HKAB CCCCc1ccc(-n2nnnc2SCC(=O)Nc2c(C)cccc2C(C)C)cc1 8229785 VJRFYGPUCLXBQE-UHFFFAOYSA-N 423.586 5.168 0 40 HKAB COC(=O)[C@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 8265394 DEDMQSJPXBUCQS-NSHDSACASA-N 414.358 5.411 0 40 HKAB Cc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)c3cccc(C)c3[nH]2)c1 8617325 RXZCZXLPNHFQLE-UHFFFAOYSA-N 414.530 5.690 0 40 HKAB C[C@@H](NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nnc2n1CCCCC2 8946070 CPLJZDYTJYKGHE-GFCCVEGCSA-N 419.312 5.062 0 40 HKAB Cc1[nH]nc(-c2ccc(OCc3c(F)cccc3Cl)cc2O)c1-c1ccccc1 8996766 WQCGDSCBDVUSCC-UHFFFAOYSA-N 408.860 6.129 0 40 HKAB CCc1ccc(Cc2cnc(NC(=O)CCc3ccc(-c4ccccc4)o3)s2)cc1 11690496 VXXBFOLMFHKFIS-UHFFFAOYSA-N 416.546 6.128 0 40 HKAB CC(C)c1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)C3CCCCC3)cc2)n1 12220520 DWSWXKSWMVRJIA-UHFFFAOYSA-N 414.553 5.526 0 40 HKAB COc1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)cc1Cl 12579098 NPLMAEGBBWTLLJ-UHFFFAOYSA-N 423.925 5.418 0 40 HKAB Cc1nn(-c2ccccc2)c(Cl)c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 12633665 XWKDSBATYAIZCR-UHFFFAOYSA-N 410.908 6.558 0 40 HKAB Cc1nc(COc2ccc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)cc2)cs1 12856422 UYLZQDMLSHNDLQ-UHFFFAOYSA-N 421.349 5.610 0 40 HKAB CC[C@@H]1[C@@H](c2ccccc2)O[C@](O)(c2ccccc2)[C@H](CC)[C@]1(O)c1ccccc1 13409736 RESUPJVANKPOGK-KUDLYRENSA-N 402.534 5.543 0 40 HKAB CCOc1cc(CNC2CCCCCCC2)ccc1Oc1nnnn1-c1ccccc1 13729651 MITLEXJGXUYDRX-UHFFFAOYSA-N 421.545 5.056 0 40 HKAB Cc1cc(C)c(CNC(=O)c2ccc(-c3ccc(-c4ccccc4)cc3)s2)c(=O)[nH]1 14228658 OZFNKWODSXARHS-UHFFFAOYSA-N 414.530 5.317 0 40 HKAB O=C(Nc1ccccc1SCc1ccsc1)c1cncc(Br)c1 14673803 QHRCXPZRNLLCNX-UHFFFAOYSA-N 405.342 5.450 0 40 HKAB C[C@@H](SCCOc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F 15492193 KEKUBVWEJZPAQK-GFCCVEGCSA-N 403.853 5.498 0 40 HKAB O=C(c1ccccc1)c1ccc(N(c2ccccc2)c2ccc3ccccc3c2)s1 16477016 SLJVGQHKBIIOLY-UHFFFAOYSA-N 405.522 7.602 0 40 HKAB O=S(=O)(c1ccccc1)c1c(-c2ccccc2)nc2ccccc2c1-c1ccccc1 16492509 OMYZIQJYVRPGIS-UHFFFAOYSA-N 421.521 6.402 0 40 HKAB O=C(O)c1ccc(CNCc2c(OCc3ccccc3F)ccc3ccccc23)cc1 16525972 GSWCFKLAEVPQSC-UHFFFAOYSA-N 415.464 5.546 0 40 HKAB O=C(COc1ccc2ccccc2c1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 16545865 XORSPTNXKDWPCH-UHFFFAOYSA-N 414.427 5.476 0 40 HKAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 16741504 PZBXHTVPYKNUTH-AWEZNQCLSA-N 421.399 5.348 0 40 HKAB CCCCCCSc1nc2c(c(=O)[nH]1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2 16944416 IJNOLBUQFQKFID-RUZDIDTESA-N 410.627 6.503 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3ccccc3s2)ccc1C 17082878 CKHCIAOSGNSFBR-UHFFFAOYSA-N 404.491 5.541 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1C 17093070 PQJVHQNIAPIPRR-UHFFFAOYSA-N 422.484 6.282 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 17093340 JXCQNVVQLNGXAZ-UHFFFAOYSA-N 422.912 5.317 0 40 HKAB Cc1ccccc1[C@@H](C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 21410208 QABCNOQNSPBOPX-CQSZACIVSA-N 403.309 5.767 0 40 HKAB CCOc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccccc1Cl 22075373 ZGEZJSSJMQOZGU-QFIPXVFZSA-N 411.929 5.141 0 40 HKAB C[C@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccccc1Cl 24586463 IYJPJGKXLASQQK-INIZCTEOSA-N 405.885 5.058 0 40 HKAB CCc1ccc(OCc2nnc(S[C@@H]3CCCC3=O)n2[C@@H](C)c2ccccc2)cc1 25053828 YXVSHQBEMJQNCX-HTAPYJJXSA-N 421.566 5.243 0 40 HKAB Cc1cc2oc(=O)cc(CN(Cc3ccc4c(c3)OCO4)C3CCCC3)c2cc1C 27574324 RQCMTJODNPKZLP-UHFFFAOYSA-N 405.494 5.083 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Br)c3cccnc23)cc1OCC 27930288 KPLBFRJUSNAVMG-UHFFFAOYSA-N 415.287 5.047 0 40 HKAB Cc1cc(C)cc(C(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@H]2c2ccc(F)cc2)c1 28047918 LGRZVMRPDVLEFR-HSZRJFAPSA-N 422.887 5.280 0 40 HKAB CCc1ccc(OC(=O)c2nc(SCc3ccccc3Cl)ncc2Cl)cc1 28289371 CJJQUIBLODBHJY-UHFFFAOYSA-N 419.333 5.857 0 40 HKAB CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C 31623388 QASFUMOKHFSJGL-DZIWFSITSA-N 411.630 5.002 0 40 HKAB Cc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1Cl 38849683 QQXUUIGMNDOIEB-UHFFFAOYSA-N 411.760 5.806 0 40 HKAB Cc1nc2cc(F)ccc2cc1C(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 40020208 YMUHWGAQHSYJCJ-QGZVFWFLSA-N 421.497 5.118 0 40 HKAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(=O)n(Cc2ccccc2Cl)c1 40145616 WVPVQJBPQCHDSN-UHFFFAOYSA-N 421.711 5.038 0 40 HKAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 44912844 QMWXSOSOKCEUMB-QAPCUYQASA-N 403.353 5.183 0 40 HKAB Cc1cccc(C(=O)N2C(=S)C(c3ccc(C(C)(C)C)cc3)=NC23CCCC3)c1 45933133 ANTCOCRPTZTLCS-UHFFFAOYSA-N 404.579 5.835 0 40 HKAB Cc1cnc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)s1 47197033 DPTMHRZQVATJON-UHFFFAOYSA-N 406.330 5.013 0 40 HKAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 72215045 IPHJXLZYPQZWNJ-NRFANRHFSA-N 423.557 5.601 0 40 HKAB COc1cccc(NC2=NC(=O)S/C2=C\c2cccc(OCc3ccccn3)c2)c1 72400599 IYTCTFSMKMUGKU-BKUYFWCQSA-N 417.490 5.388 0 40 HKAB COc1ccc(C(=O)CCNc2ccc(-c3nc4ccccc4s3)cc2)cc1OC 72408081 LGZVJASPJDJTRB-UHFFFAOYSA-N 418.518 5.665 0 40 HKAB CO[C@@H](c1ccc(Br)cc1)c1nc(-c2ccc(Br)cc2)c[nH]1 72414110 FYADQLITCANWER-INIZCTEOSA-N 422.120 5.338 0 40 HKAB CN(C)c1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cccs4)C3=C(O)C2)cc1 100429218 DYHIJTJYHJAKNN-SSOJOUAXSA-N 415.562 6.443 0 40 HKAB Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(Cl)c(O)c(Cl)c3)C2=O)cc1 106783406 ZEJLHCOFULRNSE-YBEGLDIGSA-N 424.305 5.123 0 40 HKAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 138710638 POFKIMJZNMOAJA-RNXOBYDBSA-N 402.582 5.060 0 40 HKAB CCCC[Sn](CCCC)(CCCC)c1cc(F)ccc1OC 169811510 JWQFPHFGBUQACW-UHFFFAOYSA-N 415.181 5.890 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 223303239 KIQSPYJZBVSUJB-YADHBBJMSA-N 411.542 5.008 0 40 HKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223396340 IOLZOSVHFPEWFR-CYBMUJFWSA-N 413.930 5.143 0 40 HKAB COc1cccc(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 223423529 PGDNKORODUWFLK-CJLVFECKSA-N 407.897 5.084 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccccc1OC 224576171 VESNIKOQXIORLU-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1cccc(OC)c1 224586231 GQGDTIVYZUOEBJ-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1cccc2ccccc12 224629512 NMDZPYOIUDOAGX-UHFFFAOYSA-N 411.501 6.378 0 40 HKAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)o2)cc1 224854059 YCUVHQBDQBSJFK-UHFFFAOYSA-N 424.806 5.594 0 40 HKAB COC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c1C 225699633 KWBHPUZURYGVCW-JOCHJYFZSA-N 404.535 5.166 0 40 HKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1cc(C)c(O[C@@H](C)CC)c(C)c1 225743336 WOIFUUPCNZKMID-NRFANRHFSA-N 405.623 6.677 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ncccc34)CCCC2)cc1 225861365 OTTLVKPXEWRSNI-UHFFFAOYSA-N 402.538 6.029 0 40 HKAB CCCCN(CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@H]21 229863187 JZPFBQTVTHEIAT-TVKXAPEFSA-N 418.666 5.327 0 40 HKAB CCCCn1nc(-c2cc(CC(=O)O)ccc2OCCC)cc1-c1ccc(F)cc1 257231778 GIENAWMNIXDNJL-UHFFFAOYSA-N 410.489 5.572 0 40 HKAB COc1cccc([C@H]2C[C@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(Cl)cc3)O2)c1O 257292053 QJTKCIBYSSXEKW-MIZPHKNDSA-N 417.933 5.178 0 40 HKAB CCc1ccccc1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408619567 JEOHXXKLEWAAIX-UHFFFAOYSA-N 402.881 5.644 0 40 HKAB O=C1c2cccc3c(NCc4ccccc4)ccc(c23)C(=O)N1c1cccc(Cl)c1 408722254 SJEHQDXSWXKXOM-UHFFFAOYSA-N 412.876 5.906 0 40 HKAB Cc1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)sc2CC(=O)O)c(C)c1 408888234 UEVRFOOGVIQIRW-UHFFFAOYSA-N 407.322 6.104 0 40 HKAB Fc1ccccc1-c1nnc([C@H]2CCCN(Cc3csc(C4CC4)n3)C2)s1 1888920832 GDQSXKRYKMBFHS-AWEZNQCLSA-N 400.548 5.058 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cc3cc(Br)ccc3oc2=O)cc1 842317 BMJCQAFWCFQEFD-UHFFFAOYSA-N 400.272 5.105 0 40 HKAB Cc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 1380090 AXOVKDBXHYTBLT-OAQYLSRUSA-N 408.523 5.096 0 40 HKAB O=S(=O)(Cc1ccc(Cl)cc1)c1ccccc1-c1nnc(-c2ccccc2)o1 1400936 ODLRCAJAQIZBOD-UHFFFAOYSA-N 410.882 5.031 0 40 HKAB O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1cccc(OCc2ccccc2)c1 1784010 QVBGMUXJZILKDA-MTJSOVHGSA-N 424.283 5.917 0 40 HKAB CCCCc1ccc(-n2c(N)c(C(=O)OC(C)C)c3nc4ccccc4nc32)cc1 2230858 PKNDEKRBENIOND-UHFFFAOYSA-N 402.498 5.064 0 40 HKAB Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1-c1cccc(Cl)c1 2290981 XLDOLZXVYSUGRZ-UHFFFAOYSA-N 413.868 5.062 0 40 HKAB CCOc1ccccc1C(=O)Nc1nn(CC(C)C)c2nc3c(C)cccc3cc12 2431858 JNDAACVGONRSCY-UHFFFAOYSA-N 402.498 5.200 0 40 HKAB COc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2cccc(C)c2)cc1 2447356 ICMSWNYABLNYOI-UHFFFAOYSA-N 401.535 5.852 0 40 HKAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 2660792 KWPJUQYUTHVSML-HNNXBMFYSA-N 418.994 5.207 0 40 HKAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(F)cc1F 2663503 IPKDZNHKXGODPJ-HXUWFJFHSA-N 414.839 5.118 0 40 HKAB CC[C@@H](C)c1ccccc1Nc1nc2cc(S(=O)(=O)N(CC)CC)ccc2o1 2664439 HFJYYUMBGLNMMS-OAHLLOKOSA-N 401.532 5.115 0 40 HKAB CCc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)cc1 2951229 YXKFTXMYGATEIN-GFMRDNFCSA-N 409.898 5.590 0 40 HKAB O=C(COc1cc(Cl)c(Cl)cc1Cl)OCc1ccc(Cl)c(Cl)c1 3061449 PAEYOUNGFHUDSL-UHFFFAOYSA-N 414.499 6.076 0 40 HKAB COc1cccc([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1OC 4117069 ACZDMZXUXRUYPL-HHHXNRCGSA-N 423.512 6.137 0 40 HKAB COc1cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc(OC)c1OC 4164836 FMRBNPYAAWHUMH-UHFFFAOYSA-N 412.489 5.855 0 40 HKAB O=Cc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2cccc(Br)c2)cc1 4309532 ZBFGUNKAPKWWOX-JOCHJYFZSA-N 405.295 5.617 0 40 HKAB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccccc3)c3cccc(C)c3n2)cc1 4515288 NYPUNEWUQPZFGH-UHFFFAOYSA-N 411.457 5.259 0 40 HKAB CCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccc(C)cc23)cc1 4520415 LZZVMGSEWPLXPG-UHFFFAOYSA-N 423.512 6.121 0 40 HKAB Cc1cccc(C(=O)OCCCCCCCCCCOC(=O)c2cccc(C)c2)c1 4666853 KUWKFJQPQBHWBJ-UHFFFAOYSA-N 410.554 6.438 0 40 HKAB CC[C@](C)(c1nnnn1-c1c(C)cccc1C)N(N=O)c1cccc(C(F)(F)F)c1 4772834 OZRQSAIMGIHEHH-LJQANCHMSA-N 418.423 5.111 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)cc12 4926559 DQFYVQVMIGATCL-FHSNZYRGSA-N 401.963 5.603 0 40 HKAB CCOc1cccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)c1 5100784 ABRJTROOCZMKFJ-UHFFFAOYSA-N 410.521 5.615 0 40 HKAB Cc1ccccc1C(=O)Nc1sc2ccccc2c(=O)c1-c1ccc2c(c1)OCO2 5305783 AAJYQGZBROCUDB-UHFFFAOYSA-N 415.470 5.218 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nc2ccccc2o1)c1ccccc1 5628616 MZCHZPHCIRDMKY-OAQYLSRUSA-N 404.491 5.617 0 40 HKAB CCOC(=O)c1c(NC(=O)CC(c2ccccc2)c2ccccc2)sc(C)c1CC 5911158 ZFWARSBJFUSAFL-UHFFFAOYSA-N 421.562 5.956 0 40 HKAB COc1cc2sc(NC(=O)COc3ccc(C(C)(C)C)cc3)nc2cc1Cl 6306231 TXQNWMHLUNIYQH-UHFFFAOYSA-N 404.919 5.273 0 40 HKAB FC(F)(F)c1cc(-c2ccccc2)nc(SC[C@H]2COc3ccccc3O2)n1 6414278 HLXHAPWEZGAYCZ-CQSZACIVSA-N 404.413 5.095 0 40 HKAB Cc1ccc(Sc2ccc(/C=C3/Sc4ccccc4C3=O)cc2[N+](=O)[O-])cc1 6477506 WGNVGAGHQZMRGV-FYJGNVAPSA-N 405.500 6.384 0 40 HKAB Cc1c(C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)cnn1C 6527540 LYHZWLYLNHNOQO-FZPNKZTISA-N 410.521 5.165 0 40 HKAB O=C(Cc1cccc2ccccc12)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 6647004 OPXOPAVDPBGXET-IBGZPJMESA-N 402.519 5.204 0 40 HKAB Cc1n[nH]c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)cc1)S[C@@H](C)C(=O)N2 6678748 SMRBDJZKBDUHKC-DJJJIMSYSA-N 413.930 5.114 0 40 HKAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(C(C)(C)C)cc1 6752978 ORKYWVXYPKQRAD-QHCPKHFHSA-N 403.526 5.425 0 40 HKAB aggregator COc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1Br 6846852 HGPNXWUSIPUQJM-UHFFFAOYSA-N 418.331 5.523 0 40 HKAB O=C(Cc1cccc2ccccc12)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 7036825 MFNJKNAMOKRGIH-UHFFFAOYSA-N 413.502 5.029 0 40 HKAB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2c(C)cccc2C)s1 7979355 FXSPFGLGZWZHTG-UHFFFAOYSA-N 414.556 5.028 0 40 HKAB COc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1F 8534861 FGZXLXTXOVADTL-PYMPDBRZSA-N 423.572 6.108 0 40 HKAB Cc1cc2oc(=O)cc(COC(=O)c3nc(-c4ccccc4)oc3C)c2cc1Cl 8549562 OFRDIJNROVPDDG-UHFFFAOYSA-N 409.825 5.075 0 40 HKAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1ccccc1C(F)(F)F 9107457 KQLXPEQSWOFEFQ-UHFFFAOYSA-N 424.422 5.437 0 40 HKAB CCc1sc(-c2nnc(CSc3nnc(C4CC4)n3-c3ccccc3)o2)cc1C 9220812 CQFJTAAZBIJNAL-UHFFFAOYSA-N 423.567 5.419 0 40 HKAB Cc1csc(SCc2c(C(=O)N(C)Cc3ccsc3)oc3ccccc23)n1 9514603 AAYZDOXFIFPNOI-UHFFFAOYSA-N 414.577 5.824 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 9723904 SZZNHAFSKSXSAX-UHFFFAOYSA-N 417.509 5.102 0 40 HKAB CC(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(Cl)cccc3s2)cc1 10187576 PRCQGUKYGNCVBN-UHFFFAOYSA-N 421.909 5.394 0 40 HKAB COc1ccc(N(Cc2cccs2)C(=O)c2ccccc2Br)cc1 11916246 DTXHUMIWGDTTKV-UHFFFAOYSA-N 402.313 5.366 0 40 HKAB Cc1cccc(-c2noc(CN(C(=O)Nc3cccc(Cl)c3)C3CCCCC3)n2)c1 12655152 XGWMIRHEHBCDTJ-UHFFFAOYSA-N 424.932 6.065 0 40 HKAB CCN(CC)[C@@H](CNC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 12857621 DDMRGHPIRQHAMQ-QHCPKHFHSA-N 400.522 5.328 0 40 HKAB CN(Cc1ccc(C(C)(C)C)cc1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S 14187198 HXAFXBGSLMOXMT-UHFFFAOYSA-N 407.587 5.198 0 40 HKAB CC(C)c1ccc(O[C@@H](C)C(=O)Nc2ccc(OCCc3ccccc3)cc2)cc1 14668995 GOLZCTJEZAOGKV-FQEVSTJZSA-N 403.522 5.838 0 40 HKAB O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O[C@@H]1CCC=CCCC1 16137497 DTRBFLNFVGDWEK-MRVPVSSYSA-N 412.096 6.044 0 40 HKAB CCCCSc1nc2nn(Cc3ccccc3)cc2c(=O)n1-c1ccc(Cl)cc1 16639461 MVCXNTCXCBSJKP-UHFFFAOYSA-N 424.957 5.176 0 40 HKAB Cc1cccnc1-n1c(C)c(C)c2c1ncn1nc(-c3ccc(C(C)(C)C)cc3)nc21 21801569 XOVIGXLVAOPUDV-UHFFFAOYSA-N 410.525 5.353 0 40 HKAB Fc1ccc(-c2cc3c(SCc4cccc(Br)c4)nccn3n2)cc1 23126588 YIMWGPWOCIUDJQ-UHFFFAOYSA-N 414.303 5.590 0 40 HKAB CCCn1c(C)c(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c2cc(OC)ccc21 23565208 LIBVSMQGVSEYBI-QGZVFWFLSA-N 416.525 5.045 0 40 HKAB Cc1ccc(N2Cc3ccccc3/C(=C\c3ccc(Br)cc3)C2=N)cc1 31776098 HRZAHSUHRQYXPT-GURWGSMISA-N 403.323 6.296 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(NC(=O)[C@H](C)Oc4ccc(F)cc4)cc3)n2)cc1 32623170 WDAAIPIZDWKDJX-INIZCTEOSA-N 417.440 5.257 0 40 HKAB O=C(N[C@@H]1CCc2ccccc21)c1ccccc1CSc1nc2ccccc2o1 32843545 CQQHBRDOZLAJMX-HXUWFJFHSA-N 400.503 5.537 0 40 HKAB CC(=O)c1cc(CCC(=O)N2CCC(C(=O)c3ccc(CC(C)C)cc3)CC2)oc1C 32930417 PAIHIYUKUWRJBE-UHFFFAOYSA-N 423.553 5.043 0 40 HKAB COc1ccc(-c2c(-c3ccccc3)nn(-c3ccc(Cl)cc3)c2N)cc1OC 37408027 VSARPJKQTOQUSF-UHFFFAOYSA-N 405.885 5.459 0 40 HKAB COc1ccc(Cl)cc1NC(=O)CSCc1csc(-c2ccccc2)n1 40067185 DARSPUKENMKNEA-UHFFFAOYSA-N 404.944 5.344 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 44849752 IZJNEISGHPBMRL-FQEVSTJZSA-N 416.974 5.476 0 40 HKAB C[C@@H]1c2ccsc2CCN1Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S 57473818 LMYPXRZJJMVTPF-MRXNPFEDSA-N 419.579 5.104 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 59289890 FEDWDDOVNURXTD-UHFFFAOYSA-N 403.103 5.552 0 40 HKAB O=C(CCCSc1nc2ccccc2s1)c1ccc2c(c1)Cc1ccccc1-2 59488020 LBAJOGMBXUQQEP-UHFFFAOYSA-N 401.556 6.623 0 40 HKAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 59500408 KTMHJJMYAHSILV-VUUXHMSQSA-N 413.904 5.301 0 40 HKAB biogenic Oc1ccccc1/C=C1\CCC[C@@H]2C1=NN1[C@H](c3ccccc3)Oc3ccccc3[C@@H]21 63395073 RBNFJAIQAGRWKX-ZMKSZPTDSA-N 408.501 6.080 0 40 HKAB O=c1c2sccc2nc(SCc2cccnc2)n1CCc1ccc(Cl)cc1 71327669 OQPIIHKLWOBQRB-UHFFFAOYSA-N 413.955 5.041 0 40 HKAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3[nH]ccc3c2)C12CCCC2 72324824 ZESYYKVHASWWGJ-SBUREZEXSA-N 415.537 5.457 0 40 HKAB biogenic CCOc1ccc2cc([C@@H]3CC(c4cccc(C)c4)=NN3C(C)=O)c(Cl)nc2c1 89269881 YWJXDWCRCBBJPX-QFIPXVFZSA-N 407.901 5.293 0 40 HKAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1csc(CCc2ccccc2)n1 89558923 MKQOLERUOUPCKV-INIZCTEOSA-N 413.612 5.650 0 40 HKAB O=C(CCC1CCCCC1)Nc1nnc(Cc2cccc(Br)c2)s1 98086574 XIFUEKALVFRCRT-UHFFFAOYSA-N 408.365 5.190 0 40 HKAB Cc1ccc(C2=NN3[C@H](c4ccccc4)Oc4ccc(Br)cc4[C@H]3C2)o1 102725864 BBRYTIVGOYQKPL-NQIIRXRSSA-N 409.283 5.593 0 40 HKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc4ccccc4c3)N21 222710636 CKVQKPLVCNPPOJ-KSNOWIBYSA-N 424.573 6.005 0 40 HKAB CCc1cc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1OC 223680567 MQAKQZCRDBKAFJ-UHFFFAOYSA-N 413.564 5.351 0 40 HKAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(Sc2ccccc2)nc1 223911942 OBKSAGXADCCIGG-UHFFFAOYSA-N 417.559 5.979 0 40 HKAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)c1 224130348 FAPJARGFOLONGL-UHFFFAOYSA-N 422.550 5.196 0 40 HKAB C[C@H](NC(=O)CCc1ncc(-c2cccc(Br)c2)o1)c1ccc(F)cc1 224891562 RWAFWULDGCUHAZ-ZDUSSCGKSA-N 417.278 5.053 0 40 HKAB C[C@@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 225515925 HSQMGXIZYDELDN-HXUWFJFHSA-N 424.560 5.529 0 40 HKAB COc1ccc(C2(C(=O)Nc3ccc(OCc4ccccc4)cc3)CCCC2)cc1 225531020 SSTRQBQSLOJACB-UHFFFAOYSA-N 401.506 5.725 0 40 HKAB CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1OCC 408556899 KSWXAQPDIKVNMO-LJQANCHMSA-N 412.338 5.569 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(C)c3)n2)cc1C 408694264 IAYQVGOFZXBBAY-UHFFFAOYSA-N 414.484 5.559 0 40 HKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc(F)c2)nc1-c1ccc(F)cc1 408697276 IJTIMSXYKHVTHR-UHFFFAOYSA-N 424.838 5.427 0 40 HKAB Cc1ccc(N2N=C(c3cc4ccccc4oc3=O)C[C@H]2c2ccc(Cl)cc2)cc1 1775968673 KFZRRSLXTPAWOO-QHCPKHFHSA-N 414.892 6.111 0 40 HKAB O[C@@H]1CCN(c2cccc(F)c2)C[C@H]1[C@H](Nc1ccccc1)c1ccc(F)c(F)c1 2037844591 YOYGJQCABRNJQP-AGILITTLSA-N 412.455 5.145 0 40 HKAB COc1cccc2c1N(C(=O)c1cccc(F)c1)C(C)(C)c1ssc(=S)c1-2 651323 OFYWXUUVDCDTJL-UHFFFAOYSA-N 417.552 6.249 0 40 HKAB COc1ccc(CNc2nc3ccccc3n2Cc2ccccc2)c2c(OC)cccc12 854871 YJJWJEWCRYAVJK-UHFFFAOYSA-N 423.516 5.867 0 40 HKAB CSc1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)N2CCCC[C@H]2C)c1 1441550 BRDLJTJRXAKSCC-CQSZACIVSA-N 402.947 5.329 0 40 HKAB Cc1cc(C)c(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(C)c1 1783378 FACGAFFSSDZFMP-UHFFFAOYSA-N 419.575 6.014 0 40 HKAB CCCCCc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@H]2C)cc1 1804415 HVTRLCYNKJMKMI-RLWLMLJZSA-N 412.577 7.012 0 40 HKAB CCCOc1ccc(/C=C/C(=O)Oc2ccc(OCc3ccccc3)cc2)cc1OC 1904532 GHVYESLOWNUHTG-MHWRWJLKSA-N 418.489 5.682 0 40 HKAB CCc1ccc2oc(-c3cccc(NC(=O)c4cccc(Br)c4)c3)nc2c1 2056875 ZGLNDOZJDKVKCQ-UHFFFAOYSA-N 421.294 6.072 0 40 HKAB CCOc1ccc([C@H](CC(=O)c2ccccc2)Nc2ccc(Br)cc2)cc1 2068483 SQRBFUCXEVABJO-QFIPXVFZSA-N 424.338 6.274 0 40 HKAB CC(C)OC(=O)/C(=C/c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1 2295396 SDLQWKGKPVLOJF-JWGURIENSA-N 412.489 5.054 0 40 HKAB CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)Cc1ccccc1 2339722 ABTGLRLQWCUXGE-UHFFFAOYSA-N 409.507 5.172 0 40 HKAB O=C1c2ccccc2C(=O)N1CCCP(=O)(Oc1ccccc1)Oc1ccccc1 2557604 CQUCRLLUXFLKAF-UHFFFAOYSA-N 421.389 5.024 0 40 HKAB O=C(CCCSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc(F)cc1 2622888 GOQAYNIUTZEGFH-UHFFFAOYSA-N 421.497 5.481 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1 2630569 CRXDQXMYHVQSRW-SFHVURJKSA-N 415.489 5.227 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1 2652039 RGQMRCRDSZGYFS-UHFFFAOYSA-N 415.421 5.103 0 40 HKAB COc1ccc(-c2nnc(SCc3c(C)noc3C)n2CCc2ccccc2)cc1 3277203 BIDVHVYUFHNKHG-UHFFFAOYSA-N 420.538 5.094 0 40 HKAB CCCSc1nc2cc(-c3ccccc3)sc2c(=O)n1-c1cc(C)ccc1C 3292879 XKFHEQVJYLFGGR-UHFFFAOYSA-N 406.576 6.233 0 40 HKAB O=C(NC1CCCCC1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 3293327 MRCDNXUQIOYKBT-UHFFFAOYSA-N 409.327 5.727 0 40 HKAB CCOc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)cc1Cl 4089598 BKOPEFSRHSAMLN-UHFFFAOYSA-N 422.937 5.437 0 40 HKAB CCc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)cc1 4660840 VKSBQZKSEOUWFD-INIZCTEOSA-N 419.546 6.074 0 40 HKAB Cc1ccc(CNC(=O)C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 4700121 NSGCSJGXVNSCTF-UHFFFAOYSA-N 414.549 5.316 0 40 HKAB CSc1cccc(C(=O)N(CCN(C)C)c2nc3c(C)c(Cl)ccc3s2)c1 5242706 CYJQSSMRKYCLFE-UHFFFAOYSA-N 420.003 5.188 0 40 HKAB CC[C@H](C)c1ccc(C2=NN=C(Nc3ccc(SC(F)F)cc3)SC2)cc1 5895527 AHDOWIRPTJHMFH-ZDUSSCGKSA-N 405.539 6.434 0 40 HKAB O=C(CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1)c1ccc[nH]1 6315746 KWJPWLKIEWPVES-UHFFFAOYSA-N 415.440 5.407 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)c(Cl)c1 6472951 ZVJAJVALDUFEBU-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB CCOc1cc(CNc2cccc(C)c2C)ccc1OCC(=O)Nc1ccccc1 6630766 BBPGCONNLMMEQS-UHFFFAOYSA-N 404.510 5.332 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(Cl)cc1 6878432 MQUUXNJJWTVCFP-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1 7603217 WBMMEURKBURPSH-WJDWOHSUSA-N 402.859 5.007 0 40 HKAB CC(=O)c1cccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)c1 7968840 NSBHGXVWHFQIPG-UHFFFAOYSA-N 414.461 5.479 0 40 HKAB Cc1ccc(-c2cnnn2-c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)cc1 8346060 TVGXWOQNHBPGSY-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB CCn1c(C)nc2cc(-c3nnc(-c4ccc(COc5ccccc5)cc4)o3)ccc21 8706772 CNUBWIMVFFWYJC-UHFFFAOYSA-N 410.477 5.661 0 40 HKAB Cc1ccc(NC(=O)Nc2nnc(C(c3ccccc3)c3ccccc3)s2)cc1 8768594 XGNKTZMTXWYBID-UHFFFAOYSA-N 400.507 5.671 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4cc(Cl)ccc4o3)c2)cc1 9485985 DUEXUBOGSYKDJT-UHFFFAOYSA-N 408.841 5.423 0 40 HKAB COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2cc(C)ccc2C)cc1 9577766 WPKCYPHVDRIRHM-UHFFFAOYSA-N 420.534 5.295 0 40 HKAB COc1ccc(OC)c([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccs4)=NN32)c1 12196848 JRXOJSUKFBQUBH-WZONZLPQSA-N 422.506 5.016 0 40 HKAB CN(C)CCCN(C(=O)c1ccc(-c2ccccc2)cc1)c1nc2ccccc2s1 12342204 BLFFDWCZUMLLOD-UHFFFAOYSA-N 415.562 5.562 0 40 HKAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)C1 12528794 NOUWZYOGXPGLGH-HDICACEKSA-N 406.551 5.605 0 40 HKAB CCc1ccc(C(=O)COC(=O)/C(=C/c2ccc(Cl)cc2)c2ccc(F)cc2)cc1 12565855 UXHJXAHOLGZPDL-HZHRSRAPSA-N 422.883 6.008 0 40 HKAB CC(=O)N(c1nnc(S[C@H](c2ccccc2)c2ccc(Cl)cc2)s1)C1CC1 12975532 XGZPDTBIXGHFHM-GOSISDBHSA-N 415.971 5.589 0 40 HKAB Cc1ccccc1-c1noc(CSc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)n1 13117193 GUNVHHXZUMXQMI-GFCCVEGCSA-N 424.551 5.574 0 40 HKAB CCOc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 13364365 ZXEVRJBLLRBIIS-OAQYLSRUSA-N 405.885 5.990 0 40 HKAB Clc1ccc2o/c(=N\c3nccs3)c(-c3nc(-c4ccccc4)cs3)cc2c1 13894925 LNPBRHPBYXOMJW-PLRJNAJWSA-N 421.934 6.566 0 40 HKAB Cc1cccc(-c2nn(Cc3c(F)cccc3Cl)c(-c3cccc(C)c3)c2C)c1 13960482 HKYWMYQJTBVHBR-UHFFFAOYSA-N 404.916 6.983 0 40 HKAB COc1cccc(Cn2nc(-c3cccc(OC)c3)c(C)c2-c2cccc(OC)c2)c1 13960497 LFFDOZVABINRQC-UHFFFAOYSA-N 414.505 5.600 0 40 HKAB C[C@@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccc(-c2ccccc2)cc1 14241867 IMSXKIHUOFRRPA-OPAMFIHVSA-N 402.519 5.034 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccccc2)cc1 14609537 LFZIUVDYHNPCME-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(CSCCNC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 15031923 USGLMRPMUINLRK-UHFFFAOYSA-N 400.931 5.275 0 40 HKAB Cc1cccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccc(C(C)(C)C)cc4)nc32)n1 15842290 RFNYFGOJTOEFKX-UHFFFAOYSA-N 410.525 5.353 0 40 HKAB Cc1ccc2c(c1)S[C@H](CC(=O)c1ccc(I)cc1)S2 16348189 QRZBNZCREMLXOR-MRXNPFEDSA-N 412.317 5.397 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1cccnc1 17091335 ZZUQGPBBIHPJOV-VMPITWQZSA-N 418.305 5.175 0 40 HKAB C[C@H]1CCCN(c2ccc3cccc(OCc4ccc(Br)cc4)c3n2)C1 17245691 UTZTVPAUIBYIPL-INIZCTEOSA-N 411.343 5.813 0 40 HKAB C[C@H](NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)c1cccc(Cl)c1 17908678 VUVLONRACBQOLI-INIZCTEOSA-N 405.885 5.058 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1)c1nnc2n1N=C(c1ccc(Cl)cc1)CS2 19851115 GFSAGWRVTXCNJK-NSHDSACASA-N 405.310 5.083 0 40 HKAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 20139973 AEZDKPBSCXHRRM-UHFFFAOYSA-N 410.640 5.857 0 40 HKAB Cc1cc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc(C(=O)O)c1O 20140044 LQOGNOSCWKTGMP-UHFFFAOYSA-N 406.221 5.218 0 40 HKAB CCOC(=O)c1sc(/C=C/c2cc(F)cc3c2OCOC3)nc1-c1ccccc1 22016390 JUYJPTLXEVSWDJ-CMDGGOBGSA-N 411.454 5.163 0 40 HKAB Cc1ccc(-c2nc(CS[C@@H](C)C(=O)NCc3ccc(F)cc3)cs2)cc1 31412000 VZBOZMPFJDZRBG-HNNXBMFYSA-N 400.544 5.196 0 40 HKAB Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)Nc1ccccc1N(C)C 32171483 TXFPQIFYGNLUIC-UHFFFAOYSA-N 417.340 5.043 0 40 HKAB C[C@H](NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)c1nc2ccccc2[nH]1 40157407 YQGWVOFNXSFXDE-INIZCTEOSA-N 411.461 5.379 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCC(C)CC2)cc1 44855426 WEGBNGXACATARR-HSZRJFAPSA-N 406.570 5.259 0 40 HKAB CC(C)Oc1cccc(CCCNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c1 44916245 BEWBLPJNSZHNKT-OAQYLSRUSA-N 408.586 5.068 0 40 HKAB CCSc1ccccc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 44938632 JIDUQADRTUEYAW-UHFFFAOYSA-N 423.409 5.956 0 40 HKAB O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1cc2cc(Cl)ccc2o1 46246245 NVVSBILHXSZLRZ-UHFFFAOYSA-N 405.763 5.543 0 40 HKAB CC1CCN(c2ccc(NCc3cc4cc(C(C)(C)C)ccc4[nH]c3=O)cc2)CC1 57712744 PDJCLORSCKHPAL-UHFFFAOYSA-N 403.570 5.674 0 40 HKAB CC1CCN(Cc2nc3cc(NC(=O)c4ccccc4Cl)ccc3n2C(C)C)CC1 65322310 DGXWASDBPGQVHL-UHFFFAOYSA-N 424.976 5.755 0 40 HKAB O=C(c1cnc2ccc(F)cc2c1NCc1ccc(F)cc1Cl)N1CCCCC1 67288484 DMMSVERODIOSGC-UHFFFAOYSA-N 415.871 5.405 0 40 HKAB CCN(CC)c1ccc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc1 83333254 XFVOSKATXDUXTO-DOMQTXCISA-N 400.522 5.902 0 40 HKAB O=C(NCc1cccs1)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1 96154328 SDROYGGONAQPEW-UHFFFAOYSA-N 419.437 5.280 0 40 HKAB COc1cc(OC)c([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1OC 100629604 YSRNUNKHOBQIJB-QHCPKHFHSA-N 408.498 5.584 0 40 HKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C4(C)OCCO4)[C@@H]3CC[C@@H]2C1 118924288 IXDXUHKVPQMDIH-HIOAPMMISA-N 404.591 5.340 0 40 HKAB CCO[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 118924778 HVJCKZFYZWPQOO-ZLPMDMCDSA-N 414.718 8.433 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccccc1C(C)(C)C 224168733 CHDCCAZPZBGAJH-UHFFFAOYSA-N 407.485 5.963 0 40 HKAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1cc(C)cc(C)c1 224198930 FKQQGTVUIPFNSW-UHFFFAOYSA-N 403.522 6.069 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COCc1ccccc1 224753948 PCADQNFDFSIFFE-GOSISDBHSA-N 423.940 5.947 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ccccc34)CCOCC2)cc1 225774263 YUAQYPMRVKTOIF-UHFFFAOYSA-N 403.522 5.622 0 40 HKAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1cccc2ccccc12 225803390 YZLIXGKEXXQFMZ-UHFFFAOYSA-N 411.383 5.480 0 40 HKAB O=C(c1ccccc1-c1ccccc1)N1CCOC[C@@H](Cc2cccc3cnccc23)C1 257334860 YHRLLPIRBCCROR-NRFANRHFSA-N 422.528 5.233 0 40 HKAB O=C1CS[C@H](c2cccc(OCc3ccc(F)cc3)c2)N1c1ccc(Cl)cc1 408557864 QHIIUNRVYWANAN-JOCHJYFZSA-N 413.901 5.837 0 40 HKAB S=C(c1cc(Br)ccc1OCc1ccccc1Cl)N1CCCC1 408573248 JLDSUDMVEAVQQK-UHFFFAOYSA-N 410.764 5.453 0 40 HKAB Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)ccc1NC(=O)c1ccccc1 408608145 OPCZVKHVSYAEHL-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc(OCCCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 408705559 INOCESYXNMCPOM-UHFFFAOYSA-N 412.382 5.510 0 40 HKAB CC(C)(C)NC(=S)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 408735821 XECRMZFMGDHHFD-UHFFFAOYSA-N 412.562 6.049 0 40 HKAB Cc1ccc(Cl)cc1NCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 409117037 NGTDYWBZHQGZDJ-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB CC(C)c1ccc(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CC(C)(C)C4)cc1 1300173 GWVRYUVEAMQZSM-UHFFFAOYSA-N 407.539 5.409 0 40 HKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)COc4ccccc4C)c3C)nc2c1 1413942 ULCKIPLYCRHDHQ-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 1984787 XVAYITKUBVFUSL-KRWDZBQOSA-N 417.933 5.792 0 40 HKAB Cc1ccccc1N1C(=O)c2ccc(C(=O)O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)cc2C1=O 2068210 QCLDUUXNUVDQEN-QUZZAMIASA-N 419.521 5.413 0 40 HKAB COc1cccc(COc2cc3oc(=O)c(Cc4ccccc4)c(C)c3cc2Cl)c1 2382300 FABQQULVVQPZQF-UHFFFAOYSA-N 420.892 5.933 0 40 HKAB CCOc1ccccc1Oc1c(C)oc2cc(OCc3ccc(F)cc3)ccc2c1=O 2424170 QPFPDMNGKFBGJD-UHFFFAOYSA-N 420.436 6.011 0 40 HKAB biogenic Cc1cccc(-c2nn(-c3cc(Cl)ccc3Cl)c(-c3cccc(C)c3)c2C)c1 2733439 CAQXBWLCRAEFIM-UHFFFAOYSA-N 407.344 7.438 0 40 HKAB Cc1oc2ccc(OC(=O)c3ccc(F)cc3)cc2c(=O)c1Oc1ccc(Cl)cc1 3181640 MXSQVNRNZPVSDU-UHFFFAOYSA-N 424.811 5.905 0 40 HKAB CCOC(=O)c1c(C)oc2ccc(OC(=O)COc3ccc(Cl)cc3Cl)cc12 3194162 FPAUDXHSLDCKDV-UHFFFAOYSA-N 423.248 5.209 0 40 HKAB Cc1c([C@@H]2NC(=O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)c2ccccc2n1C 4107155 QIBIRLHEBQQGBA-LHSJRXKWSA-N 407.583 5.553 0 40 HKAB CCCCCC(=O)Nc1ccc(C(=O)OC2CCCCCCCCCCC2)cc1 4402226 NBIJCYIWCJTJQS-UHFFFAOYSA-N 401.591 7.036 0 40 HKAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 4498642 NGOLENVBDYXLQT-JCMHNJIXSA-N 424.541 5.137 0 40 HKAB Cc1nc2cc(NCc3ccc(Br)cc3)ccc2n1Cc1ccccc1 4551736 GYPLAQSGBHHIMJ-UHFFFAOYSA-N 406.327 5.768 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C(=O)OC)cc2)N3)C1 4553669 FFUOGLCWHCGOJY-BEFAXECRSA-N 412.555 5.505 0 40 HKAB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)cc1C 4585218 UABJUWVJZOJHLM-UHFFFAOYSA-N 417.896 5.275 0 40 HKAB CCOc1cccc2c1O[C@@H](c1ccc(OC)cc1)N1N=C(c3ccc(C)o3)C[C@H]21 4715691 WCNKEJMSOOHATO-YKSBVNFPSA-N 404.466 5.238 0 40 HKAB CCOC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CC(C)(C)OC2 5046957 HNEIMPGMZWIAKB-UHFFFAOYSA-N 408.907 5.074 0 40 HKAB COc1ccc(C2=Nc3nc(-c4ccccc4)cn3[C@@H](c3ccc(OC)cc3)C2)cc1 5072418 LYQRVDJYQDTLNC-RUZDIDTESA-N 409.489 5.681 0 40 HKAB aggregator COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1OC 5458675 NIKPVISZBATZRG-PZJWPPBQSA-N 419.912 5.853 0 40 HKAB CCN(CC)CCOc1ccc([C@@](O)(Cc2ccc(Cl)cc2)c2ccccc2)cc1 5572890 JGLROVOJKXIJKB-AREMUKBSSA-N 423.984 5.539 0 40 HKAB biogenic,in-vitro CC(C)c1ccc(-c2nc(C(=O)NC[C@@H]3CCCO3)cc3c2[nH]c2ccccc23)cc1 5825718 BPNHMAQYEQHXJR-IBGZPJMESA-N 413.521 5.415 0 40 HKAB biogenic Cc1cc(C)nc(SCc2cc(C)c(CSc3nc(C)cc(C)n3)cc2C)n1 5923199 FYRKKTJNIAIQDC-UHFFFAOYSA-N 410.612 5.702 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C2CC2)n1Cc1ccccc1 6532078 BQMBHFFOIMMPJJ-INIZCTEOSA-N 416.550 5.357 0 40 HKAB Cc1ccccc1N(C(=O)C[C@@H]1OC(=O)c2ccccc21)c1nc2ccccc2s1 6579182 BXVQJBQHKGCQRR-FQEVSTJZSA-N 414.486 5.571 0 40 HKAB Clc1ccc(C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)cc1Cl 6925721 DUPBWAIZUOCWBY-UHFFFAOYSA-N 413.155 6.051 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2)c2ccccn2)c1C 7277688 IDGQKEUEMATVCB-QHCPKHFHSA-N 413.546 6.214 0 40 HKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cccc3ccccc23)c1Cl 8299649 IRRDBZFNBXFIOK-UHFFFAOYSA-N 408.712 6.434 0 40 HKAB COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@@H]2C(C)=C(C)C(=O)N2C(C)(C)C)c1 9095164 XLMJKDZHRADUIT-DEOSSOPVSA-N 418.537 5.870 0 40 HKAB Cc1ccc(NC(=O)Nc2nnc(CSCc3ccccc3Cl)s2)cc1C 9137237 ISUMSYGFKVFNMC-UHFFFAOYSA-N 418.975 5.886 0 40 HKAB CCOc1ccc2oc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)c(C)c2c1 9952883 WQXCGGYURCMZDO-UHFFFAOYSA-N 402.494 5.641 0 40 HKAB Fc1cccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN32)c1 11990358 KZRUWMSYXHVGOU-YLJYHZDGSA-N 413.246 5.424 0 40 HKAB Nc1c(C(=O)Nc2cccc(Cl)c2)c2ccccn2c1C(=O)c1ccc(Cl)cc1 12342120 KSYQPHHIKTYMFI-UHFFFAOYSA-N 424.287 5.312 0 40 HKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[C@H]1Nc2ccccc2C(=O)N1C 12557846 VIBDARWMFNBTMS-FQEVSTJZSA-N 415.324 5.051 0 40 HKAB CCOc1c(OC)cccc1[C@H]1CN2C(=O)c3ccccc3[C@H]2c2[nH]c3ccccc3c21 12886550 RGWGCRLKPYTZHF-NLFFAJNJSA-N 424.500 5.266 0 40 HKAB biogenic CC[C@H](C)c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12891674 YFGRDVNQYSOKLV-AZIODVPDSA-N 408.586 5.346 0 40 HKAB CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3ccccc3c2Br)cc1 13003825 HRBICXKURHDANO-AWEZNQCLSA-N 412.283 5.211 0 40 HKAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2cccc(Cl)c2)cc1Cl 13058370 VUJHDESLJKSLIY-QFIPXVFZSA-N 413.348 6.114 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(F)c(Cl)c3)c2n1 13149142 IRKZWAAJRQKVBH-UHFFFAOYSA-N 413.663 5.660 0 40 HKAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 13425962 OTOSAPSMOLSODL-UHFFFAOYSA-N 409.747 5.569 0 40 HKAB CCOc1cc(-c2nn3c(-c4ccccc4C)nnc3s2)cc(OCC)c1OCC 13858119 UAXNEGWPZVFWFH-UHFFFAOYSA-N 424.526 5.024 0 40 HKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 13999722 QJTFGYTXZGUNBP-WMZHIEFXSA-N 416.521 5.282 0 40 HKAB C[C@@H](NCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1ccc2c(c1)CCCC2 14183599 JSBKMORFMYPAGM-MRXNPFEDSA-N 415.562 5.381 0 40 HKAB Cc1ccc(NC(=O)[C@@H](OC(=O)c2cccc(-n3cccc3)c2)c2ccccc2)cc1 14637100 BFZLQKTXSCWOKM-DEOSSOPVSA-N 410.473 5.323 0 40 HKAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 14922384 OWXRIXNNWKJTDH-UEQSERJNSA-N 413.904 5.583 0 40 HKAB biogenic Cc1ccc(C(=O)Nc2cccc(C(=O)OC(c3ccccc3)c3ccccc3)c2)cc1 16292053 CRQGZXCZKHNGND-UHFFFAOYSA-N 421.496 6.194 0 40 HKAB Cc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 20151107 PFOPCVBRMVARBG-FNORWQNLSA-N 416.260 5.912 0 40 HKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc2c3c(cccc13)CC2 21595718 ZZPYVYQZVMTEBA-UHFFFAOYSA-N 410.311 5.497 0 40 HKAB O=C(Cc1coc2ccc3ccccc3c12)Nc1cccc(NC(=O)c2ccco2)c1 23016632 PFZWQTMZEIGCFT-UHFFFAOYSA-N 410.429 5.613 0 40 HKAB C[C@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc12)C(=O)c1c[nH]c2ccccc12 24159876 AFODHTLWCHDYRP-INIZCTEOSA-N 421.456 5.206 0 40 HKAB CC(C)C(=O)Nc1cccc(CNC(=O)CCOc2ccccc2-c2ccccc2)c1 25094353 FUFFAEYPGFEFAA-UHFFFAOYSA-N 416.521 5.033 0 40 HKAB COc1ccc(NC(=O)c2ccccc2SC(F)F)cc1OCc1ccncc1 25852205 ZYFPQYGLZGNDEW-UHFFFAOYSA-N 416.449 5.236 0 40 HKAB Cn1ccnc1[C@H](NCc1ccc(-c2ccccc2Cl)s1)c1ccccc1F 30645587 DZYORZLUCRYAOC-OAQYLSRUSA-N 411.933 5.820 0 40 HKAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1ccc(C)cc1C 31903363 GFDDPVZTFNCGCC-JOCHJYFZSA-N 405.542 5.196 0 40 HKAB COc1cccc([C@@H]2CC(O)=Nc3sc(C(=O)Nc4cccc(C)c4)c(C)c32)c1 32074312 ZOIFZHFBLMELOU-SFHVURJKSA-N 406.507 5.749 0 40 HKAB C[C@@H](C(=O)c1ccc(OCc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 33506259 JKJGWNLFPHYECD-QFIPXVFZSA-N 413.561 5.792 0 40 HKAB O=C(Nc1cccc(-n2ccnc2)c1)c1ccccc1-c1ccc(Cn2cccn2)cc1 36391681 HFVGHZOICGAENV-UHFFFAOYSA-N 419.488 5.036 0 40 HKAB COc1ccc(-c2csc3c(=O)n(Cc4ccc(C(C)(C)C)cc4)cnc23)cc1 38655075 YQZSSKNGXIQCGO-UHFFFAOYSA-N 404.535 5.479 0 40 HKAB COc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2cccc(Cl)c2)cc1 40486006 CQABDIZBZCTRCK-JOCHJYFZSA-N 405.881 5.401 0 40 HKAB S=C(Nc1ccccc1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 40487518 KZBAMOIOGRXNBO-OTFGQMRCSA-N 423.585 6.680 0 40 HKAB Cc1csc(N(CC(F)(F)F)C(=O)c2cc3c(s2)-c2ccccc2OC3)n1 60543428 BNEWDOJSPUFCGV-UHFFFAOYSA-N 410.442 5.282 0 40 HKAB Cc1ccc2c(c1)c(=O)c(-c1nc(-c3ccc(OCc4ccccc4)cc3)no1)cn2C 64963708 XCMVCFCFPIGASU-UHFFFAOYSA-N 423.472 5.143 0 40 HKAB Cc1cc(SCC(=O)Nc2ccccc2C(F)(F)F)nc(-c2ccc(F)cc2)n1 67257108 VWQRNXGGVURMHJ-UHFFFAOYSA-N 421.419 5.341 0 40 HKAB FC(F)(F)c1cnc(-c2ccnc3c(-c4ccc(Cl)cc4)cnn23)c(Cl)c1 81223948 PIDJOFDVINHIKH-UHFFFAOYSA-N 409.198 5.784 0 40 HKAB COc1ccc([C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 113948861 MSUYBAIDGQHYRL-SFHVURJKSA-N 407.535 5.357 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 223018193 CPYFQKOXNCKOTA-INIZCTEOSA-N 421.946 5.171 0 40 HKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225004567 RJNYYTZORSVEFL-LEWJYISDSA-N 408.586 5.075 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 225259258 XELPHGVRZHECIE-UHFFFAOYSA-N 413.477 5.439 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)cc1 225268730 HSCCKUWBEWOMLO-UHFFFAOYSA-N 403.913 6.478 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1Cl 225307401 LVSUAVPBHWFHFX-UHFFFAOYSA-N 417.745 5.310 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)CCCCC2)c1 225539665 BFFJYRHPACVUKO-UHFFFAOYSA-N 420.597 5.700 0 40 HKAB CCC(=O)N[C@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2cccc(OC)c2F)C1 257292743 QMUFYAREZUSJGC-NNMXDRDESA-N 405.897 5.365 0 40 HKAB O=C(Nc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1)c1cccnc1 302768532 VAYHPONOFUOMKJ-UHFFFAOYSA-N 423.472 5.165 0 40 HKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3C)n2)c1 408696566 ASGPJPIWDDEZGT-UHFFFAOYSA-N 414.484 5.559 0 40 HKAB COc1ccc(-c2ccc(C(=O)O)c(COc3cc(C)ccc3C)n2)c(OC(C)C)c1 585265366 KSYKHVZDPILFLR-UHFFFAOYSA-N 421.493 5.438 0 40 HKAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCC(C)C)cc2)cc1 706472 NGLYUYSFLRYVGV-DEOSSOPVSA-N 402.494 5.501 0 40 HKAB FC(F)=C(F)CCSc1nc2nccc(-c3ccc(-c4ccccc4)cc3)n2n1 1389740 XRHHCWCAJUMEBM-UHFFFAOYSA-N 412.440 6.018 0 40 HKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc2ccccc2c1O 1846825 KUFQCUIVZHUMPK-DEOSSOPVSA-N 416.860 5.980 0 40 HKAB O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)s1 2150231 PQULGZQSQLHCIT-UHFFFAOYSA-N 409.760 5.240 0 40 HKAB CCOc1ccc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1 2255161 QAYNBXFWDSZJIV-UHFFFAOYSA-N 400.869 5.688 0 40 HKAB CC(=O)CCc1c(-c2ccccc2)c2ccccc2n1S(=O)(=O)c1ccc(C)cc1 2276784 URMOLAMRGHERLF-UHFFFAOYSA-N 417.530 5.375 0 40 HKAB Oc1ccc(Cl)cc1-c1cc(-c2ccccc2)cc(-c2cccc3ccccc23)n1 2403037 VWTCXICSSRSPOY-UHFFFAOYSA-N 407.900 7.595 0 40 HKAB CN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(C(C)(C)C)cc1 2621393 UHJOSYXJBSORBS-UHFFFAOYSA-N 414.549 5.286 0 40 HKAB CC[C@H](C)Sc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1 2721639 HKZSKZFTJMPQAK-ZDUSSCGKSA-N 407.944 5.718 0 40 HKAB CCCSc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 2721706 PLPRAIKZIQAFOF-UHFFFAOYSA-N 407.944 5.638 0 40 HKAB CC[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C(=O)OC)C1 2751757 JFWNGXONCMYWOA-SNVBAGLBSA-N 412.338 5.609 0 40 HKAB CC(C)(C)c1cc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc(C(C)(C)C)c1 3216115 DJWSRGAMHXVQQD-UHFFFAOYSA-N 403.469 5.355 0 40 HKAB O=C(OCC(=O)c1ccc(Br)s1)c1ccc(Oc2ccccc2)cc1 3294455 VGSQRQGGDMCFNW-UHFFFAOYSA-N 417.280 5.343 0 40 HKAB O=C(COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccc(Cl)s1 3297236 YYBRJGZFHPMUPH-UHFFFAOYSA-N 424.827 6.127 0 40 HKAB c1ccc(-c2nnc(CSc3ncnc4scc(-c5ccccc5)c34)o2)cc1 3411834 FZGKFDWBOONPFM-UHFFFAOYSA-N 402.504 5.701 0 40 HKAB COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)c1 4064910 NGTYIDRNJTUKEY-ZICWRXTKSA-N 407.554 5.085 0 40 HKAB biogenic CN(C(=O)C12CC3CC(CC(C3)C1)C2)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4078432 YRFUASJVGYPVFP-UHFFFAOYSA-N 411.615 5.185 0 40 HKAB COc1ccc([C@@H](NC(=O)C(C)(c2ccccc2)c2ccccc2)c2ccccc2)cc1 4602098 OGCLMFYFEZGLDB-MHZLTWQESA-N 421.540 5.907 0 40 HKAB Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1cccc(Br)c1 4678680 FFGCCBWHBJMYPQ-UHFFFAOYSA-N 418.338 6.129 0 40 HKAB C[C@@H]1C[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@H]3CC[C@@H]2C[C@H]1OC(=O)c1ccccc1 6183263 FODHMRRHZAVFBM-TUMJYMDDSA-N 408.582 6.070 0 40 HKAB COc1ccc(/C=C2\CCCC3=C2N=C(SC)N[C@@H]3c2ccc(OC)cc2)cc1 6372888 NMVYRRAIZSWJQY-WQEMPZKUSA-N 406.551 5.589 0 40 HKAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(F)cc1Cl 6549610 KEBHNHIZLFFFFP-LBPRGKRZSA-N 416.909 5.057 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2c(C)cccc2C)cc1 6845715 NYVIPWPRQGUUMH-UHFFFAOYSA-N 417.933 5.800 0 40 HKAB O=C(COC(=O)c1ccc(F)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6863203 NBOGSWDZCXTAHH-UHFFFAOYSA-N 407.485 5.089 0 40 HKAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3N=C(c3ccc(F)cc3)C[C@@H]21 7276160 KUYMQYWXTWWYGJ-FQEVSTJZSA-N 402.425 5.069 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CN1c1ccc(F)cc1 7544966 CYFYGIGKHLIYBV-IBGZPJMESA-N 405.517 5.666 0 40 HKAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 7851834 LJZZHIFTBWGBJF-HNNXBMFYSA-N 420.538 5.402 0 40 HKAB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 7882234 WCSAQFYRVAWCDI-KRWDZBQOSA-N 420.896 5.432 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](N[C@H](C)c2ccc3c(c2)OCCO3)c2ccccc2)c1 8038403 PVBXKZOIFLATAT-KBMIEXCESA-N 416.521 5.105 0 40 HKAB O=C1/C(=C/c2ccc(Br)cc2)N=C(c2ccccc2)N1Cc1ccccc1 8398272 WQEYNCGZVYOJEX-QNGOZBTKSA-N 417.306 5.279 0 40 HKAB O=C(Nc1nc(-c2ccncc2)cs1)[C@H](Sc1ccccc1)c1ccccc1 8720550 JRHQQYLKRNJEGZ-HXUWFJFHSA-N 403.532 5.677 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1OC 8903825 LPJODCPOHZMQAN-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)N(Cc2cccc(F)c2)Cc2ccco2)ccc1Cl 9204973 ZFRWWFKDIGRWQH-INIZCTEOSA-N 401.865 5.377 0 40 HKAB CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C2CCCCC2)cc1 9464045 KVROGXUZTFAQLQ-UHFFFAOYSA-N 404.510 5.040 0 40 HKAB CCOc1cccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 10120332 JQUGXOIWLBUTCP-UHFFFAOYSA-N 400.478 5.440 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 10314658 OUOXEWKQHPBNIR-UHFFFAOYSA-N 422.550 5.227 0 40 HKAB CC(C)c1ccc([C@@]2(C)NC(=O)N(Cc3ncc(-c4ccc(Cl)cc4)o3)C2=O)cc1 11193628 PSYBOQZSOOPKHW-HSZRJFAPSA-N 423.900 5.086 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)c4cccnc4Cl)ccc3o2)cc1Cl 12322421 ZUQVZNAGQNQQPP-UHFFFAOYSA-N 414.248 5.458 0 40 HKAB O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccc2c(c1)nc1n2CCCCC1 12602835 FEONGUUCYPUKMB-UHFFFAOYSA-N 420.513 5.207 0 40 HKAB C[C@@H](SC1=Nc2ccccc2[C@@H]2CC=NN12)C(=O)Nc1cc(Cl)ccc1Cl 12762824 BFQFUNAPBYAGBK-DIFFPNOSSA-N 419.337 5.488 0 40 HKAB COc1ccc(-c2csc3ncnc(Oc4cccc5c4CCC[C@@H]5O)c23)cc1 12779892 KMVHHWCPTJMLQH-IBGZPJMESA-N 404.491 5.529 0 40 HKAB COc1cc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc(Cl)c1OC(C)C 13042077 UATQMHUHMNAUQH-UHFFFAOYSA-N 424.880 5.586 0 40 HKAB O=c1c2ccccc2nc(/C=C/c2ccc(Br)cc2O)n1-c1ccccc1 13512708 BFXJWKRGONTYDL-ACCUITESSA-N 419.278 5.024 0 40 HKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(Cl)cc1 13946196 COTNLNSIUQDCEJ-UHFFFAOYSA-N 404.901 5.758 0 40 HKAB OC1CCC(Nc2nc(-c3cccnc3)nc3sc(-c4ccccc4)cc23)CC1 15208775 ZZMNNJFENCBOCI-UHFFFAOYSA-N 402.523 5.136 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 20035804 WZCIVRGFZVQOPN-IBGZPJMESA-N 407.819 6.308 0 40 HKAB C[C@@H]1[C@@H](c2cccc3ccccc23)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 20388376 ONLWOWZCJPRUQU-CXAHNHKCSA-N 401.506 5.541 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)N2CCCCCC2)cc1 27795378 WKPDUPIFYODMQF-OAQYLSRUSA-N 415.375 5.105 0 40 HKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(OCC)cc3)sc2c1 32119235 GKSVZLAOEKWNDX-UHFFFAOYSA-N 413.568 5.164 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 32593321 QTKAAZZATPWMQR-UHFFFAOYSA-N 408.885 5.632 0 40 HKAB O=C(O)C/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2s1 32642070 KRFDRGKRBQQYEB-RGEXLXHISA-N 401.487 5.891 0 40 HKAB Fc1ccc(-c2noc(Cc3nc(-c4ccc(Br)cc4)cs3)n2)cc1 33298147 BSDNDBZOWVUOKI-UHFFFAOYSA-N 416.275 5.353 0 40 HKAB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3ccc(Cl)cc3Cl)S2)cc1 35043344 FDUXQBMDFKHHKD-LZYBPNLTSA-N 406.294 5.034 0 40 HKAB O=C1N/C(=N\c2cc(C(F)(F)F)ccc2Cl)S/C1=C/c1cccc(F)c1 35647311 VHGSNAKZXIKIPX-VGOFMYFVSA-N 400.784 5.390 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]([C@@H](C)CCC(=O)O)CC[C@H]32)C1 36034640 FCQRLHQHKFKTQE-GZTMJIMXSA-N 418.618 6.078 0 40 HKAB COc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1Cl 37208957 OLHURBCSVXANHG-HXUWFJFHSA-N 418.971 5.058 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 38752465 FVOBZGSXFGUVMB-QGZVFWFLSA-N 409.913 5.809 0 40 HKAB C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(C(C)(C)C)cc1 39759352 JXMJUKUUQFIQQB-GOSISDBHSA-N 413.005 5.727 0 40 HKAB CCc1nn2c(nnc3c(=O)n([C@H]4CCCC[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40395904 YGLDQCYLBABFEF-KSSFIOAISA-N 421.932 5.073 0 40 HKAB Cc1cc(C)c(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c(C)c1 44786864 YXERBVCSJLWLJQ-SFHVURJKSA-N 405.369 5.769 0 40 HKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)cc3Cl)n2)cc1 45772725 FYALQPIOKXIQMO-UHFFFAOYSA-N 404.297 5.738 0 40 HKAB C[C@H]1CCCN(Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)C1 57740303 DVXJUFRORUULMV-SFHVURJKSA-N 416.956 5.973 0 40 HKAB Cc1nc2c(cc(OCC(=O)Nc3ccccc3C(F)(F)F)c3ccsc32)s1 58065351 QHYLYBYDKIXHHP-UHFFFAOYSA-N 422.453 5.856 0 40 HKAB COc1ccccc1Cn1c(SCc2cc(C)ccc2C)nc2ccccc2c1=O 67258421 FUXVLIDACQPMOE-UHFFFAOYSA-N 416.546 5.363 0 40 HKAB FC(F)(F)[C@H]1CCCN(Cc2ccc(CN3CCC[C@@H](C(F)(F)F)C3)cc2)C1 84398265 JFVWSYMWJMWJKR-HDICACEKSA-N 408.430 5.235 0 40 HKAB Cc1ccc([C@H]2[C@H](C)CCCN2C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)cc1 89632129 YQYRVZFUJAFNQX-AUSIDOKSSA-N 407.558 5.386 0 40 HKAB COc1ccc(NC(=O)N2CCc3ccccc3[C@@H]2Cc2ccccc2)cc1OC 97164610 CGBVKFYMFMZBLD-QFIPXVFZSA-N 402.494 5.078 0 40 HKAB COc1cc([C@H]2OC[C@H]3[C@@H](C)C=C(C)[C@H]2[C@H]3C)ccc1OCc1ccc(C(=O)O)cc1 101997500 MWCFKMDOPSZIPZ-UBSDOAPNSA-N 422.521 5.508 0 40 HKAB COc1ccc(OC)c([C@@H]2CC3=Nc4onc(C)c4[C@@H](c4ccccc4)C3=C(O)C2)c1 102735064 PYWDCZCQQKGHIC-WAIKUNEKSA-N 416.477 5.608 0 40 HKAB COc1ccc(CC(=O)O)cc1-c1cc(-c2ccc(F)cc2)n(Cc2ccccc2)n1 103298793 XFRWPZRUZZWBDZ-UHFFFAOYSA-N 416.452 5.040 0 40 HKAB COc1ccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 107041731 DMPJCQGSMHGQLA-UHFFFAOYSA-N 401.865 5.687 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)N(C)N=O)C1 118924463 OSEUSDPKNGVSLT-UCTMCIKISA-N 404.595 5.579 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@]3(O)[C@H](O)C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118932435 OXXQSPWNBIFGEP-SLJWHMLGSA-N 404.679 6.584 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OC 215154888 FKYWAHNITNYINM-GIJQJNRQSA-N 421.877 5.123 0 40 HKAB CC(C)c1ccccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 222807995 IIWPQAIXWZZOOO-UHFFFAOYSA-N 403.566 6.295 0 40 HKAB Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223376810 KAAQXMXSFFXLCP-LOSJGSFVSA-N 424.573 5.353 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1Cc1ccccc1 223393509 JJJUDIUMIGTZOE-BJKOFHAPSA-N 416.594 5.561 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 223420278 HYQFJRSLYRWATQ-RLWLMLJZSA-N 401.550 6.100 0 40 HKAB Cc1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 224049072 RBSDPZWJEVSODK-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 224486777 VSHKZCDPVMGVNP-AWEZNQCLSA-N 415.946 5.696 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(OC)c3ncccc23)cc1 225502245 QYSJOVQYRNZGLY-FQEVSTJZSA-N 409.555 5.326 0 40 HKAB COc1cc(COc2c(Cl)cc(CO)cc2Cl)ccc1OCc1ccccc1 408539419 HIWWRCPHQJTRSP-UHFFFAOYSA-N 419.304 5.652 0 40 HKAB O=C(O)c1cccc(NCc2ccccc2OCc2ccc(Cl)cc2Cl)c1 408611075 QCHACPOYGHTRJS-UHFFFAOYSA-N 402.277 5.883 0 40 HKAB CC1CCN(c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2Cl)CC1 408628813 BFSROHYUHDMVOK-UHFFFAOYSA-N 400.994 6.121 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3)n2)cc1 408694994 NNQLTCOLXXBHJY-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)cc2-c2ccc3ccccc3c2)cc1 408727392 WINOCDPQHNVXFC-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB O=C(c1ccc(CSCc2ccccc2)cc1)N1CCN(c2ccccc2F)CC1 408905888 ANNYLEVNOWLXHQ-UHFFFAOYSA-N 420.553 5.222 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(Cl)cc1Cl 408906819 IOBJXLLBHRKHGM-UHFFFAOYSA-N 402.346 6.846 0 40 HKAB CCCCCOc1ccc(/C=C2\N=C(c3ccc(OCCCC)cc3)OC2=O)cc1 409003867 LOWUPQOYJFQSHY-NKFKGCMQSA-N 407.510 5.779 0 40 HKAB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1cccc(Cl)c1 409117786 PEWYPIBHOYGDSK-MOSHPQCFSA-N 405.881 5.810 0 40 HKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3C)n2C)cc1C 409194914 FSLXKEMQRCJMDA-RQZHXJHFSA-N 412.558 6.087 0 40 HKAB O=C1N/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccc(Cl)cc1 409244741 IBSVTJWAXQAGGB-FYJGNVAPSA-N 422.843 5.155 0 40 HKAB COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1C 409378265 OCYXVNCQDZVQLS-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB Cc1cc(C)nc(NC2CC3(CCN(Cc4ccc(F)c(C(F)(F)F)c4)CC3)C2)n1 585103183 LVTYJTZXCUFHEY-UHFFFAOYSA-N 422.470 5.108 0 40 HKAB c1ccc(C(OC2CCN(CCc3ccc4c(c3)OCO4)CC2)c2ccccc2)cc1 675082762 GXLDQVXJPZSMBF-UHFFFAOYSA-N 415.533 5.228 0 40 HKAB Cc1ccc([C@H](NC(=O)Cc2sc(C)nc2-c2cccs2)c2ccccn2)cc1 684243289 ADKNCOPEGBDPAB-QFIPXVFZSA-N 419.575 5.332 0 40 HKAB Cc1ccc(CN2CCc3c(c(=O)c4ccccc4n3Cc3ccc(C)cc3)C2)cc1 1775966943 UNOOYQBJPGIVOX-UHFFFAOYSA-N 408.545 5.225 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1 677602 LNEUFJJOYHEHER-UHFFFAOYSA-N 401.466 5.205 0 40 HKAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc1 682098 MJCPSYSGWJOJGO-UHFFFAOYSA-N 419.506 5.095 0 40 HKAB Cc1ccc(NC(=O)Cc2c(Sc3ccccc3)c3cc(C)ccc3n2C)cc1 704957 RUYKPOQTBBUVAB-UHFFFAOYSA-N 400.547 6.128 0 40 HKAB CCOC(=O)c1c(N)sc2c(OCc3ccccc3)c(Br)ccc12 850540 QVLUVQXRHLQIOL-UHFFFAOYSA-N 406.301 5.002 0 40 HKAB CCOP(=O)(OCC)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1737565 IWRBUCYIOFOURU-UHFFFAOYSA-N 402.425 6.514 0 40 HKAB Cc1ccc(-c2cc(C(=O)Oc3ccc(Cl)cc3Cl)c3ccccc3n2)cc1 2079403 HNUBHYWXFZYRDV-UHFFFAOYSA-N 408.284 6.736 0 40 HKAB CC(C)(C)c1cc(C(C)(C)C)c2nc(-c3cc(Br)ccc3O)oc2c1O 2267434 YIXJQHMTRQVCNC-UHFFFAOYSA-N 418.331 6.264 0 40 HKAB CC(C)(C)c1ccc(-c2nn(CN3CCC(Cc4ccccc4)CC3)c(=S)o2)cc1 2290437 PROWRXNJFRKDKR-UHFFFAOYSA-N 421.610 6.082 0 40 HKAB COc1ccc(Cn2nc(-c3ccccc3OC)cc2-c2ccccc2OC)cc1 2733354 JDGSQGPNJJLWDB-UHFFFAOYSA-N 400.478 5.291 0 40 HKAB O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1ccc(Br)cc1 3120617 WZIFLZKXPOGOFN-YADHBBJMSA-N 409.279 5.351 0 40 HKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=S)Nc3ccc(F)cc3)cc2)cc1 3306923 VYJKNTKGBAVKGY-UHFFFAOYSA-N 408.542 7.115 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)OCc1nc2ccccc2s1 3405114 IYAODSCKBQHULH-UHFFFAOYSA-N 411.914 5.168 0 40 HKAB COc1ccccc1/C=C1\CCC[C@H]2C1=NN(c1ccccc1)[C@@H]2c1ccccc1OC 4257768 XBAGCNXOKBXQSH-OFTNIROISA-N 424.544 6.505 0 40 HKAB Cc1ccc2sc(N(Cc3cccnc3)C(=O)CCOc3ccccc3)nc2c1C 4273285 YTUCREPFDALHFM-UHFFFAOYSA-N 417.534 5.310 0 40 HKAB COc1ccc([C@]23CCCC[C@@H]2C2(CCCCC2)c2ccc(OC)cc2O3)c(O)c1 4653225 JXPMGTURKXGEGZ-AOYPEHQESA-N 408.538 6.089 0 40 HKAB CCCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3cccs3)cc12 4735748 CFRXLZALYXIRTF-UHFFFAOYSA-N 421.540 5.259 0 40 HKAB COc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(-c4ccc(C)c(C)c4)c3c2c1 4970245 XBXMFUOYDMUSEF-UHFFFAOYSA-N 407.517 6.483 0 40 HKAB Cc1ccc(CC(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)c(C)c1 5264472 QCDKXFPDQMEICK-UHFFFAOYSA-N 405.498 5.223 0 40 HKAB O=C(COc1ccccc1F)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 5526147 FJPHBQRGPJCXIG-OCIKORQNSA-N 420.440 5.214 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)cc1 6256997 VURKSXHTDFUOHQ-LFIBNONCSA-N 412.558 6.416 0 40 HKAB O=C(/C=C/c1cccc(C(F)(F)F)c1)OCc1cc(Cl)c2c(c1)OCCCO2 6879365 ZODKWXUYNNDVIG-AATRIKPKSA-N 412.791 5.277 0 40 HKAB Fc1ccc(Nc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)cc1Cl 7004817 WWLYYVWCCXHHGE-UHFFFAOYSA-N 410.905 6.168 0 40 HKAB Nc1c(C(=O)c2ccc(Cl)c(Cl)c2)sc2nc(-c3cccs3)ccc12 7078079 PIQQMGOHPLMELU-UHFFFAOYSA-N 405.331 6.145 0 40 HKAB Cc1sc(-c2cccc(NC(=O)C3CC3)c2)nc1-c1ccc(NC(=O)C(C)C)cc1 8042090 KULKHULTCWJUQK-UHFFFAOYSA-N 419.550 5.729 0 40 HKAB O=C(CCSc1ccc(Cl)cc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8229881 KZJSRZZCLMDHAQ-IBGZPJMESA-N 417.958 5.347 0 40 HKAB O=C(CN(c1ccccc1)c1n[nH]c(=S)s1)Nc1cc(Cl)ccc1Cl 8436105 YSAJBFNWSIHYIT-UHFFFAOYSA-N 411.339 5.284 0 40 HKAB O=C(CSc1nc(Nc2ccccc2)c2ccccc2n1)Nc1cccnc1Cl 8725745 OENNPZOTKQVVOJ-UHFFFAOYSA-N 421.913 5.153 0 40 HKAB CC(=O)[C@@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)c1ccccc1 8944121 IINJUNODPROUNS-JOCHJYFZSA-N 417.509 5.555 0 40 HKAB COc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc(F)cc2)cc1 9253477 YDMYWFVYIYKWNF-UHFFFAOYSA-N 423.827 5.513 0 40 HKAB C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1cccc2ccccc12 9255907 UKLJSUNPKSMKIV-CQSZACIVSA-N 423.588 5.936 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(N2CCCC2=O)cc1 9548851 WWMLHZCFKGXDMH-UHFFFAOYSA-N 413.502 5.342 0 40 HKAB CCOc1ccccc1-c1cc(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2o1 9660301 KRBXFRLNXRSIPM-UHFFFAOYSA-N 403.409 5.250 0 40 HKAB Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1ccsc1)O2 10215184 GDECNOZHZRSSMH-DYESRHJHSA-N 410.882 5.373 0 40 HKAB CSc1ccccc1C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 12023572 UARBJRKZXGYVHU-UHFFFAOYSA-N 413.546 5.250 0 40 HKAB O=C(Nc1ccccc1Cl)c1ccc2c(c1)C[C@@H](c1ccc(Cl)cc1)OC2=O 12274611 NPQAFMZTTBCTCC-FQEVSTJZSA-N 412.272 5.700 0 40 HKAB Cc1c(Cl)cccc1-n1c(-c2ccncc2)nn(CN2CCC(C)CC2)c1=S 13072872 JXTGCYCTUPNOTL-UHFFFAOYSA-N 413.978 5.117 0 40 HKAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)N2[C@@H](C)CCC[C@H]2C)n1-c1ccccc1 13284418 HXTAHZCYGKCMSJ-JZXOWHBKSA-N 424.570 5.106 0 40 HKAB O=C1S/C(=C\c2ccccc2Cl)C(=O)N1CNc1ccccc1Br 13573952 OZTZZVKOZRSDRC-DHDCSXOGSA-N 423.719 5.208 0 40 HKAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2Cl)c(C)c1 13584340 MAIFOQMMOSKZPS-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB O=C(OCc1csc(-c2ccsc2)n1)c1ccc(OCc2cscn2)cc1 14702566 DFMKYELQGXNPMT-UHFFFAOYSA-N 414.533 5.264 0 40 HKAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cc(C)ccc2C)o1 16033509 NIMCOMNKDCCMBJ-WMLDXEAASA-N 405.564 5.591 0 40 HKAB CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNCc1ccc2c(c1)OCO2 16949734 YOOJEFRMLLOATM-OZNIXHKMSA-N 419.609 6.339 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C(C)C)cc4)nccn3n2)cc1 17051588 RDSWZOSIMMQKAS-UHFFFAOYSA-N 416.550 5.559 0 40 HKAB Cc1cc(C(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)sc1C 19124675 VASAIKNDMCQXRU-UHFFFAOYSA-N 407.461 5.280 0 40 HKAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2ccccc2)cc1 20248331 TUEODDOQNIMKED-HHHXNRCGSA-N 410.517 5.283 0 40 HKAB O=C(c1cccc2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20509547 JKLZUPLGMOFEIU-UHFFFAOYSA-N 406.529 5.387 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1 20612000 PZXJWQHCNGAGTL-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(C)cc3)on2)sc2c1CCCC2 21149542 RXLWVIDYOVTJLJ-UHFFFAOYSA-N 410.495 5.019 0 40 HKAB CC(C)c1noc2ncc(C(=O)Nc3ccnn3Cc3ccc(C(C)(C)C)cc3)cc12 21467498 VFKBXSSBLJUNKM-UHFFFAOYSA-N 417.513 5.141 0 40 HKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(Br)cc1F 22237745 OSIZJSBXLRSFOW-UHFFFAOYSA-N 420.307 5.373 0 40 HKAB CN(C(=O)CSc1nnc(C2CCCCC2)o1)C(c1ccccc1)c1ccccc1 22891246 BEHDGZVNZRADAQ-UHFFFAOYSA-N 421.566 5.457 0 40 HKAB O=C(Nc1ccccc1Cl)[C@H]1CC(O)=Nc2cc(-c3ccc(Cl)cc3)nn21 32094416 PKQHWVKKGNLDRT-MRXNPFEDSA-N 401.253 5.028 0 40 HKAB O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1ccc(Cl)cc1C(F)(F)F 32664853 FLBXFBWKIAWUEC-UHFFFAOYSA-N 422.834 5.593 0 40 HKAB CCc1nn2c(=O)cc(CNc3cccc(-c4ccc(C(C)(C)C)cc4)c3)nc2s1 40083275 NCJVYQWGSJKKQY-UHFFFAOYSA-N 418.566 5.290 0 40 HKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)c1 44947874 MABIONHXNCRAIS-MRXNPFEDSA-N 409.954 5.221 0 40 HKAB C[C@@H](NC(=O)N(C)Cc1c(F)cccc1Cl)c1ccc(OCC(F)(F)F)cc1 60064408 OLJQVGSLXRROEP-GFCCVEGCSA-N 418.818 5.323 0 40 HKAB COc1ccc(-c2cnc(CCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1 63887569 PAWCEURNKJYWIG-UHFFFAOYSA-N 424.806 5.594 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(Cl)ccc2F)cc1 67297784 QRBNYUTVCUBUMQ-VYIQYICTSA-N 422.843 5.719 0 40 HKAB COC(=O)c1cccc(NC(=O)c2sc(-c3ccccc3Cl)nc2C)c1C 84041357 WKZNLCSQRUVPRQ-UHFFFAOYSA-N 400.887 5.119 0 40 HKAB Cc1nc(-c2ccccc2Cl)nc(N2CCC[C@@H](c3noc(C4CC4)n3)C2)c1C 95406128 WXTQPZHYUAKABP-MRXNPFEDSA-N 409.921 5.058 0 40 HKAB CC(C)(C)C1CCC(CC(=O)NCCCc2nc3ccccc3[nH]2)(n2cccc2)CC1 96118859 XPPHMSQENJNAPY-UHFFFAOYSA-N 420.601 5.435 0 40 HKAB CSCC[C@H](NC(=O)CC1(n2cccc2)CCCCC1)c1nc2ccccc2[nH]1 96232320 DYKGETFAXATZCR-FQEVSTJZSA-N 410.587 5.025 0 40 HKAB CC(=O)c1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c1 105932292 RTXKIVXUAFHRHK-UHFFFAOYSA-N 404.249 5.620 0 40 HKAB CC1=C[C@H](C)[C@H](C2OCC3(COC([C@@H]4[C@H](C)C=C(C)C[C@H]4C)OC3)CO2)[C@@H](C)C1 108537503 JLEHIYGUDHRGOJ-BTMJEWGHSA-N 404.591 5.195 0 40 HKAB biogenic O=C(CSCc1ccc(Cl)cc1Cl)NCCCc1ccc(Cl)cc1 222723168 MVJOKOOECKKGJP-UHFFFAOYSA-N 402.774 5.629 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 222938194 GXZFBQORPVEZMF-YADHBBJMSA-N 409.570 5.869 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 222938533 MGJAASJFHFLMBO-FCHUYYIVSA-N 409.570 5.869 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 223128271 NLYFBLPENSSEDI-DQEYMECFSA-N 407.598 6.288 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1Cc1ccco1 223354426 BRIHJFMXGCPTAB-VXKWHMMOSA-N 406.555 5.154 0 40 HKAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c(C)c1 224329907 OXRYFPSVVUPDOD-UHFFFAOYSA-N 414.549 5.065 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)NCc1ccccc1CN1CCCCC1 224851846 XSMXQYWJYOZKOD-UHFFFAOYSA-N 420.981 5.015 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 225035187 MDCJHXGPKXIVRV-UHFFFAOYSA-N 413.876 5.387 0 40 HKAB CC1CCN(CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)CC1 225520084 PJFZVRDTVNWUNX-UHFFFAOYSA-N 424.560 5.387 0 40 HKAB COCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1Cl 225543984 RBIPTEJHNHBKFE-UHFFFAOYSA-N 401.934 5.514 0 40 HKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccccc1C 225588947 VCOOWONAHHMIIR-QFIPXVFZSA-N 402.941 5.267 0 40 HKAB FC(F)(F)c1cc(NC(=S)NCCCSCc2ccco2)ccc1Cl 225593661 BNBSVAPWQKMVDI-UHFFFAOYSA-N 408.898 5.562 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1snnc1-c1cccs1 225790456 PQDMQBFOEVRXTK-UHFFFAOYSA-N 413.911 5.965 0 40 HKAB CCCN1CC[C@@H]2[C@H]([C@@H](c3ccccc3)C1)N(c1ccccc1)C(=O)N2CC(C)C 257328613 XGKOVYDLRAMZDF-SDHSZQHLSA-N 405.586 5.221 0 40 HKAB O=C(c1ccccc1)N1CCC[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 257333055 XZXDIRHXWBQXBX-OAQYLSRUSA-N 424.466 5.711 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OCC 408553731 BOTASXTYJDXKPA-UHFFFAOYSA-N 421.493 5.927 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(C)cc2)cc1 408696961 CTJKWJXCVNLHFO-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)nn2-c2cccc(C)c2)cc1 408725456 PGMOXBYCNYXWGT-UHFFFAOYSA-N 409.533 6.532 0 40 HKAB O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)C12CC3CC(CC(C3)C1)C2 409052225 IWDRDSPGZIYDDZ-UHFFFAOYSA-N 420.603 6.694 0 40 HKAB Cc1ccc(COc2ccccc2/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1 409096965 LRWPWQRLMVHJPK-NDENLUEZSA-N 409.407 6.086 0 40 HKAB C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 409110795 GTUOMEMPDYFBMF-MSOLQXFVSA-N 404.535 5.297 0 40 HKAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(F)c(Cl)c4)c(N)c3cc2C1 661820 CNOFJKLLBRAGFL-JTQLQIEISA-N 403.910 5.438 0 40 HKAB Cc1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)c(C)c1 670673 KKQGCQIGQSWURW-UHFFFAOYSA-N 410.473 5.177 0 40 HKAB O=c1oc2ccc(Br)cc2cc1-c1csc(Nc2ccc(F)cc2)n1 856340 YRMYGJYFCLYTBO-UHFFFAOYSA-N 417.259 5.562 0 40 HKAB CCc1ccccc1NC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 894890 PZKXEAYMDGMPFM-UHFFFAOYSA-N 419.594 5.541 0 40 HKAB CCN(CC)CC[C@H](CNc1ccnc2cc(Cl)ccc12)c1ccc(OC)cc1 1706248 ONWXIFYYIJRKRF-LJQANCHMSA-N 411.977 5.824 0 40 HKAB CCCCN(CC)c1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CCCC3 1743489 PRVHMGHEARIZTO-UHFFFAOYSA-N 406.555 6.005 0 40 HKAB CCCCCCOc1ccc(Nc2c(C(=O)OCC)cnc3ccc(C)cc23)cc1 1777773 FMBIFTSUGKPJCX-UHFFFAOYSA-N 406.526 6.423 0 40 HKAB COc1ccc(-c2c/c(=N\c3ccc(Cl)cc3)c3cc(C)ccc3o2)cc1OC 1805953 LNUKFGYQVPPREH-LHLOQNFPSA-N 405.881 6.311 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc21 2051811 VVBYHPAEMABXSF-UHFFFAOYSA-N 413.304 6.139 0 40 HKAB Fc1ccc(-n2c(-c3ccccc3Cl)nc3nc4ccccc4nc32)cc1Cl 2213056 WXAKECZGMNJEAY-UHFFFAOYSA-N 409.251 6.082 0 40 HKAB O=S(=O)(c1ccc(F)cc1)N1C=Cc2ccccc2[C@@H]1c1c[nH]c2ccccc12 2279849 UBRRFKGGQKROEQ-HSZRJFAPSA-N 404.466 5.072 0 40 HKAB CCOc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)[C@@H](C)[C@H]2CC)cc1 2285762 OQZNSCZZVINNGJ-LNXUECGXSA-N 414.549 6.314 0 40 HKAB COc1cccc(NP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)c1 2290873 UDTAXTBDLQMOCK-UHFFFAOYSA-N 411.438 6.607 0 40 HKAB CCCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC[C@H]4C 2294298 MCERBAYYBXACEG-CYBMUJFWSA-N 410.568 5.037 0 40 HKAB Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1NC(=O)Nc1ccccc1 2368843 IXWQQWOWVWLEFT-UHFFFAOYSA-N 408.465 5.205 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cccc(Br)c1 3025341 MBPZGMRSSMMMKJ-UHFFFAOYSA-N 409.308 5.978 0 40 HKAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c(Cl)c1 3217029 CMLVRIAMPMUVRD-UHFFFAOYSA-N 420.852 5.252 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)/C=C/c1cccs1)c1ccccc1 3239433 JUXBHHJGIVXGGT-SDNYCIMKSA-N 407.491 5.002 0 40 HKAB S=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1 3346455 XRWWCKDPDWPDAZ-UHFFFAOYSA-N 412.514 7.080 0 40 HKAB Cc1c([C@H]2NC(=O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)c2ccccc2n1C 4107151 QIBIRLHEBQQGBA-QKKBWIMNSA-N 407.583 5.553 0 40 HKAB CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1c1c(O)ccc(O)c13 4720794 LXMARPMTBJNUMP-KMYBFTINSA-N 410.554 5.726 0 40 HKAB CCOc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)cc1OC 4783911 ALOZYSCSEFAKGN-XOBRGWDASA-N 414.571 5.735 0 40 HKAB Cc1cccc(C(=O)N(Cc2ccccc2)Cc2cc3cccc(C)c3nc2Cl)c1 4861338 RQIFXYKFWHSDHX-UHFFFAOYSA-N 414.936 6.348 0 40 HKAB CC(C)(C)C1=NN(c2nc(-c3ccc(Cl)cc3)cs2)[C@](O)(C(F)(F)F)C1 5243166 GPZXUDZTGMBTFC-MRXNPFEDSA-N 403.857 5.327 0 40 HKAB Cc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2)cc1 6032638 AHAPBYVDVBPZSZ-UHFFFAOYSA-N 417.456 5.510 0 40 HKAB COc1ccc(CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1F 6580105 VTKMGWUDVDOLGO-UHFFFAOYSA-N 406.891 6.045 0 40 HKAB Cc1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)n(-c2ccccn2)n1 7141273 ZJZOWIGCPDHJIB-UHFFFAOYSA-N 411.490 5.105 0 40 HKAB Cc1c(C(=O)N2c3ccc(F)cc3CC[C@H]2C)oc2c1C1(CCC2)SCCS1 7156893 NYQDOFSAIMVLBM-CYBMUJFWSA-N 417.571 5.678 0 40 HKAB O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc(Cl)cc1Cl 7347795 PGZLLLQPTQMIFY-UHFFFAOYSA-N 400.290 5.917 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCC[C@H]4CCCC[C@H]43)o2)cc1 7383835 TZXIPMBUOQPQQY-VQIMIIECSA-N 413.587 5.307 0 40 HKAB Cc1sc2nc(CSc3ccc(Cl)cc3)nc(N3CCOCC3)c2c1C 8156138 WOFSEOQGGCFJTF-UHFFFAOYSA-N 405.976 5.090 0 40 HKAB Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 8571553 CMEXANACUIMUND-UHFFFAOYSA-N 408.910 5.943 0 40 HKAB Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)cc(-c2nc3ccccc3o2)c1O 9547219 CUJWMNZJEGBTJS-UHFFFAOYSA-N 413.260 6.068 0 40 HKAB Clc1ccc(Cn2cc(CNCc3cccs3)c3ccccc32)c(Cl)c1 10315544 AHWAUEZNXXVYEX-UHFFFAOYSA-N 401.362 6.348 0 40 HKAB COc1ccc(Cl)cc1Nc1ncnc2c1cnn2-c1ccc(C)c(Cl)c1 10386235 ZEINFRVPKUUIDN-UHFFFAOYSA-N 400.269 5.183 0 40 HKAB O=c1c2c(nc(SCc3c(F)cccc3Cl)n1Cc1ccccc1)CCS2 11025580 PMPOYZRSGLVHJN-UHFFFAOYSA-N 418.946 5.025 0 40 HKAB COc1ccc2nc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)sc2c1 11807110 DLIFWTPUYZDPIU-UHFFFAOYSA-N 413.886 5.185 0 40 HKAB CC(=O)Nc1cccc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c1 12912427 OLSAQFMTSDEEKQ-UHFFFAOYSA-N 403.463 5.281 0 40 HKAB C[C@@H](SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1cc(F)ccc1F 12929865 QJAZAJZZHBIESQ-LLVKDONJSA-N 408.857 5.534 0 40 HKAB COc1cc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)ccc1OC(F)F 13009032 LUBDPKPOOZATOM-HXUWFJFHSA-N 415.461 5.146 0 40 HKAB CCN(C(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)CCCCC2)c1ccccc1 13038874 WUTLZVKYTBMYIV-SFHVURJKSA-N 416.521 5.102 0 40 HKAB CC(C)c1cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c2cnn(C(C)C)c2n1 14129144 JYFDKCNIAMGBSE-UHFFFAOYSA-N 420.513 5.429 0 40 HKAB CCc1cc(=O)oc2cc(OC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)ccc12 14775882 ZDLZPYYUUPAXMO-UHFFFAOYSA-N 423.852 5.202 0 40 HKAB Cc1ccc(CN2Cc3nc[nH]c3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1 15675664 IFMZKPMUSDKYKI-DEOSSOPVSA-N 421.504 5.221 0 40 HKAB biogenic,in-vitro Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(Cl)cc4)nccn3n2)cc1 17051591 KYWIGZSBCVAZCE-UHFFFAOYSA-N 408.914 5.089 0 40 HKAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc2ccccc2c1 17090167 LYDOHAIJXGIVFH-UHFFFAOYSA-N 414.917 7.022 0 40 HKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1Cl 17090867 SBDYZUIOTFIRHA-UHFFFAOYSA-N 416.776 5.727 0 40 HKAB CC(=O)Nc1sc2c(c1[C@@H](c1ccc(C(C)C)cc1)N1CCOCC1)CCCC2 19879459 JNIFBUCLQBVDRX-HSZRJFAPSA-N 412.599 5.130 0 40 HKAB Clc1ccc(CO[C@@H](Cc2ncc[nH]2)c2ccc(Cl)cc2Cl)c(Cl)c1 21983497 VHVBYHWOJSMAKP-KRWDZBQOSA-N 416.135 6.524 0 40 HKAB CCOc1ccc(CCNc2ncccc2C(=O)Nc2ccc(C)cc2)cc1OCC 22053776 DWULVOCWCNAXCG-UHFFFAOYSA-N 419.525 5.094 0 40 HKAB CCOc1ccccc1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 22396608 KQWZBJHOGWJCCN-UHFFFAOYSA-N 417.328 5.153 0 40 HKAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ccc(-c2nc3ccccc3o2)cc1 23362824 OHFUQTDSBYBZEM-GOSISDBHSA-N 411.461 5.025 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@H](NCc1ccc(CN2CCCC2)cc1)c1ccccc1 23957066 DIBYVCTXLCRNOC-HHHXNRCGSA-N 423.560 5.478 0 40 HKAB Cc1cccc2c1NC(=O)[C@]21NC[C@H](c2ccccc2Cl)c2c1[nH]c1ccccc21 25686075 CCFQSLGUMVNBMA-NSYGIPOTSA-N 413.908 5.061 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N2CCCCCC2)cc1 28287356 KWFFYUGFQMTJHB-DEOSSOPVSA-N 418.581 6.014 0 40 HKAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(-c2nc3ccccc3o2)cc1 32882775 UFAFFYHCBDLMQJ-UHFFFAOYSA-N 416.462 5.178 0 40 HKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@]21C 36372115 HXZHKSJRLUJGSY-QHJJTWKVSA-N 404.591 5.325 0 40 HKAB COc1ccc([C@@H]2CCCN2C(=O)Nc2c(C)cc(Br)cc2C)cc1 40121692 BNTQGXKKQXWVNV-SFHVURJKSA-N 403.320 5.444 0 40 HKAB O=C(c1ccccc1)N1CCCCC[C@@H]1C1CCN(c2nc3ccccc3o2)CC1 69776656 WZGROUNGNIRBGI-JOCHJYFZSA-N 403.526 5.129 0 40 HKAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 72215379 YCLLZKMQSYXEEA-QGZVFWFLSA-N 403.523 5.058 0 40 HKAB C[S@](=O)Cc1c(C(=O)Nc2cccc(OC3CCCC3)c2)sc2ccccc12 83990138 UHSXCHJAGUDMNF-MUUNZHRXSA-N 413.564 5.354 0 40 HKAB O=C(c1ccco1)c1ccc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)s1 96119801 WZFQXRANKWMARB-UHFFFAOYSA-N 413.926 5.354 0 40 HKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccccc1Cl 102794789 PCTOQLYETKSIHZ-QHCPKHFHSA-N 408.929 6.543 0 40 HKAB Cc1ccc2c(c1)C(=O)c1ccccc1/C2=C1\c2ccccc2C(=O)c2cc(C)ccc21 104062696 GLMOIYCPRVNMMW-DQSJHHFOSA-N 412.488 6.400 0 40 HKAB Cc1cccc(CN2C(=O)S/C(=C\c3ccc(Sc4ccccc4)o3)C2=O)c1 106708910 MVOIVVDPBMIGTB-UYRXBGFRSA-N 407.516 5.976 0 40 HKAB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)c1 216033205 VKAMIMXNTUAEMH-UHFFFAOYSA-N 419.506 5.149 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 219383884 RVXYQHSRPIQDQI-NRFANRHFSA-N 409.938 6.080 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1OCC 222598169 AXQWQKCKXFWILY-OALUTQOASA-N 413.558 5.561 0 40 HKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(C(C)C)cc4)ccc32)c1 223082663 NIDYUCHDWYJHEB-UHFFFAOYSA-N 412.533 5.964 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccccc1Cl 224141195 CRNJCRRBJCRAQB-OAHLLOKOSA-N 413.876 5.558 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccccc1C(C)C 224228147 LWFFILBAKJCKBO-UHFFFAOYSA-N 403.522 6.267 0 40 HKAB Fc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)cc1F 225341817 CCYQABCQRNHBJR-UHFFFAOYSA-N 407.338 5.491 0 40 HKAB CCN(CC)CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1 225542202 FCTKLBUUXPMXFA-UHFFFAOYSA-N 408.586 5.556 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c2ccccc12 225684201 PTUYEIWQKJNUCS-GOSISDBHSA-N 405.513 6.607 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Br)c(C)c1 225832634 GJWNECOYRJTGML-FQEVSTJZSA-N 402.332 5.432 0 40 HKAB COc1ccc(NC(=O)C(Cc2ccc(C)cc2)(c2ccccc2)c2ccccc2)cc1 225937408 VNUQFWQTZKVBQP-UHFFFAOYSA-N 421.540 6.171 0 40 HKAB O=C(O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 226339776 FVUWSRTZKYPAOK-UHFFFAOYSA-N 410.478 5.687 0 40 HKAB COC(=O)c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 247826850 JLLPDASOZOGZIE-NHQIJDEQSA-N 402.321 6.077 0 40 HKAB CC(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)cc1 253497915 ZONPAOQEAXCIKO-LJWDIFRDSA-N 422.653 6.568 0 40 HKAB COc1cc(C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1 408552445 IMUXQEOYDGBFSA-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB Fc1ccc(CNC(=S)c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 408577861 VADSLXJCBYPAHI-UHFFFAOYSA-N 420.336 6.177 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2cccc(C)c2)cc1 408697392 GYHSBVXOOAXTTP-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccccc2)c1 408698457 PRHHSZUIZNZOFB-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccccc1NC(=O)[C@@H]1[C@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@H]1C(=O)O 408822332 LHAWQMOQFHESOM-WREZULKGSA-N 411.501 5.388 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1ccc(C)cc1 409024862 YGMKFYNSNAMNHW-FYJGNVAPSA-N 411.523 5.417 0 40 HKAB Cc1ccc(C(=O)Oc2ccccc2/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 409191770 MVRDMNZOPVLBIX-ZHZULCJRSA-N 417.848 5.212 0 40 HKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)nc1-c1ccccc1 409205429 CJSSCKWIPUNDEP-UHFFFAOYSA-N 406.551 5.981 0 40 HKAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)CCCc3ccccc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409351719 AIHWAGYKNUQQLZ-JBYIUTFZSA-N 424.507 5.311 0 40 HKAB O=C(O)c1ccc([C@@H]2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)s1 521396595 KHFBIDNBROXYNZ-FQEVSTJZSA-N 419.502 5.532 0 40 HKAB CSCC[C@H](NC(=O)Nc1ccccc1OC(F)(F)F)c1nc2ccccc2[nH]1 524734816 QHKWFSKSADJKOT-HNNXBMFYSA-N 424.448 5.077 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)N1CCCC[C@@H]1c1ccc(-c2cccc(F)c2)nc1 1848355581 DYRBDYRBWQDEML-RUZDIDTESA-N 413.496 5.665 0 40 HKAB Cc1ccc(N2C(=O)N(CC3CCCCC3)c3ccccc3S2(=O)=O)cc1Cl 1889148921 HBGVBYRTUVLMSF-UHFFFAOYSA-N 418.946 5.364 0 40 HKAB Cc1ccc2cc(CN(C(=S)Nc3ccccc3)C3CCCC3)c(=O)[nH]c2c1C 874464 WASUQWYVYJGZNU-UHFFFAOYSA-N 405.567 5.287 0 40 HKAB O=C(Nc1ccccc1)NC1(C(=O)Nc2ccc(C(F)(F)F)cc2)CCCCC1 1329980 SFHYKPCSVLJFIP-UHFFFAOYSA-N 405.420 5.169 0 40 HKAB Cc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)Nc2ccccc2)cc1 1378211 BQZCTIMUGKFEKE-UHFFFAOYSA-N 411.505 5.379 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 2050773 AJKLTFVXYVHOCH-UHFFFAOYSA-N 402.519 6.313 0 40 HKAB Fc1cccc(Cl)c1Cc1nn2c(-c3ccc(C(F)(F)F)cc3)nnc2s1 2182976 JJNITTHHXSXNJN-UHFFFAOYSA-N 412.799 5.255 0 40 HKAB Cc1ccc(C2=CSC3=NC4=C(CCc5ccccc54)[C@H](c4ccc(F)cc4)N23)cc1 2258619 VHJBQAXUJUTYQG-SANMLTNESA-N 424.544 6.950 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C(Cl)(Cl)Cl 2288432 JXZSYLXOQINGJM-UHFFFAOYSA-N 406.718 5.209 0 40 HKAB Cc1ccc(COc2ccc(/C=C3/N=C(c4ccc(Cl)cc4)OC3=O)cc2)cc1 2322911 SBQLNHDERSKSKK-HYARGMPZSA-N 403.865 5.572 0 40 HKAB O=C(COc1ccccc1)Nc1ccc2nc(SCc3ccccc3)sc2c1 2375545 GWDDXGLYHSVIKP-UHFFFAOYSA-N 406.532 5.606 0 40 HKAB O=C(CN1c2ccccc2Sc2ccccc21)Nc1ccc(C(F)(F)F)cc1 2633200 QMTJADNHSPBYCT-UHFFFAOYSA-N 400.425 5.947 0 40 HKAB CCCCCSc1nnc2c(n1)O[C@H](c1ccccc1Cl)Nc1ccccc1-2 2744818 PGVFVOQMQOTZOX-LJQANCHMSA-N 412.946 5.977 0 40 HKAB CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2)C(=O)C[C@@H]1c1ccc(Cl)cc1 3048496 BEFCRPRWLMDBIP-LJQANCHMSA-N 418.320 5.347 0 40 HKAB Clc1ccc2oc(-c3cccnc3Sc3ccc(Br)cc3)nc2c1 3051088 WGINQUBWUIXACH-UHFFFAOYSA-N 417.715 6.457 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(C)c1 3372075 OQQYWHMYUSOHAN-UHFFFAOYSA-N 423.321 5.547 0 40 HKAB CCCCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 3999933 AMBNKPHHGMYOMP-DSDNZOFKSA-N 404.554 5.283 0 40 HKAB biogenic CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)CCC(=O)[C@H]13 4029042 JPGGQHZUOUAFHK-RQGAOHTJSA-N 412.570 5.060 0 40 HKAB Cc1nc2c(ccc3nc(NC(=O)c4cccc(Br)c4)sc32)s1 4173991 LDRWFQNTWFUEBT-UHFFFAOYSA-N 404.314 5.229 0 40 HKAB CCN(CC)CCCN(C(=O)c1ccc(C)cc1)c1nc(-c2ccccc2)cs1 4188888 YQFAVDAQRZKHLR-UHFFFAOYSA-N 407.583 5.497 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1Br 4256814 RKHRGGGASNAZQW-UHFFFAOYSA-N 410.355 6.169 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2c(Cl)cccc2Cl)N3)C1 4545736 QEQZCJJONHWXCH-ADLMAVQZSA-N 423.409 7.025 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3ccc(C)o3)C[C@H]21 4715706 FOEKZMRTFDMFFI-AUSIDOKSSA-N 410.420 5.507 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4769218 KZIUQJZMWULELD-PGAJIAHISA-N 415.706 7.222 0 40 HKAB COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)CC(C)C)c3ncnn32)cc1 4816799 KKBZBDMBSLFTBU-SFTDATJTSA-N 424.932 5.054 0 40 HKAB Cc1ccn2cc(-c3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3)nc2c1 5579447 NVHJENALFDPWER-UHFFFAOYSA-N 413.502 5.264 0 40 HKAB O=C(Nc1ccccc1)[C@@H]1C(O)=Nc2ccccc2[C@@H]1c1ccc(Cl)c(Cl)c1 5604010 INBXREFOENACJH-VQTJNVASSA-N 411.288 5.982 0 40 HKAB CC(C)CCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)n(C)c2ccccc12 6023176 RGYNGPPRBYXFFX-HHHXNRCGSA-N 408.545 6.437 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 6235001 MCAHEAJFSSBKTQ-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1c(F)c(F)c(F)c(F)c1F 6238083 PTZVXVNNOZEAHN-UHFFFAOYSA-N 404.294 5.443 0 40 HKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cc2ccccc2o1 6425836 OPMXHBXMPSKGHT-UHFFFAOYSA-N 410.477 5.851 0 40 HKAB C[C@H](OC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)C(=O)NC1CCCC1 6558163 YFHHTVBHXCVMOW-HNNXBMFYSA-N 422.912 5.159 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc(C3CCCCC3)n2Cc2ccccc2)c1 6668654 UQRCRYBOJNWGBQ-UHFFFAOYSA-N 420.582 5.413 0 40 HKAB Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)s2)c1 6787343 WRKHJSSVTNYPLE-UONOGXRCSA-N 416.547 5.087 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1 6942765 XPZVRWWLFDAVLG-QFIPXVFZSA-N 402.523 5.202 0 40 HKAB COc1ccccc1N(CC(=O)c1ccc(Br)cc1)C1=NCCCCC1 7276433 RMKBKGONGLAMQG-UHFFFAOYSA-N 415.331 5.120 0 40 HKAB CCOc1ccc2nc(NC(=O)Cc3csc(-c4ccsc4)n3)sc2c1 7808580 SAIPFYWSPCNAHF-UHFFFAOYSA-N 401.538 5.061 0 40 HKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(F)cc2)NC(=O)N1c1ccccc1 8131761 QTLXHLVHYKZZDC-QFIPXVFZSA-N 401.441 5.009 0 40 HKAB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)c(C)c1 8410596 RJTJURUBYGDJBQ-NDENLUEZSA-N 408.910 6.299 0 40 HKAB COc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 8535304 AWCYTFMFXNWFKD-MRXNPFEDSA-N 416.348 6.432 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(c1nc(C)cs1)C3=O 8827441 BFPVGWSZLDOCNB-GOSISDBHSA-N 422.893 5.270 0 40 HKAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)N1CCC[C@@H]1c1nc2ccccc2s1 9741239 MAIIOZRQNMHULK-KXPUMZMLSA-N 412.898 5.055 0 40 HKAB Cc1ccccc1-c1noc(CSc2nc3ccccc3c(=O)n2CCC(C)C)n1 11829118 KTTBJFNSGQMRBT-UHFFFAOYSA-N 420.538 5.093 0 40 HKAB C[C@H](N[C@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1)c1cccc2ccccc12 12578448 LXCBYNFZXANPAE-VQTJNVASSA-N 401.554 5.508 0 40 HKAB CCOCc1cc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)ccc1OC 12785587 CAEHAILIOGPVJL-HSZRJFAPSA-N 407.535 5.081 0 40 HKAB C[C@H](NC(=O)[C@H](NC(=O)c1cccs1)c1ccccc1)c1ccc2ccccc2c1 12928625 YJOPELWHTIHSJM-GAJHUEQPSA-N 414.530 5.250 0 40 HKAB O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1cccc(Cl)c1Cl 13056408 IYWQESJQGBVGRY-CYBMUJFWSA-N 420.365 5.421 0 40 HKAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 13687635 DIJXEUQVCPCGCT-UHFFFAOYSA-N 409.869 5.266 0 40 HKAB CC1=CC(C)(C)N2C(=O)[C@@]3(SCC(=O)N3c3cc(C)cc(C)c3)c3cc(C)cc1c32 14671894 VKXWQNJYLWVWRR-VWLOTQADSA-N 418.562 5.087 0 40 HKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(Cl)c(Cl)c1 16284414 RVJWYIMSXBRIEC-UHFFFAOYSA-N 415.255 5.427 0 40 HKAB Brc1cccc(CSc2nnc(-c3ccco3)n2Cc2ccco2)c1 16788577 RDZOUTPEEQHWFD-UHFFFAOYSA-N 416.300 5.234 0 40 HKAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc(Cl)c(Cl)c1 17088389 OMNQVZQOQKYCGU-UHFFFAOYSA-N 410.109 5.133 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc4ccc(F)cc4s3)o2)cc1Cl 17089394 SNLQPTFALCHNHC-RMKNXTFCSA-N 412.873 6.309 0 40 HKAB CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1Cl 17094130 XRWPWAUFXPHHFV-UHFFFAOYSA-N 424.863 5.172 0 40 HKAB COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2-c2nc3ccccc3[nH]2)cc1 17118296 MAYMJXAJKOKCGA-BZZOAKBMSA-N 401.853 5.871 0 40 HKAB Cc1cc(C)c(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)c(C)c1 18184867 BGPNGKBXPHFENO-UHFFFAOYSA-N 400.400 6.070 0 40 HKAB Cc1ccc([C@H](NC(=O)c2sc(-c3ccccn3)nc2C)c2cccs2)cc1 18212260 RZFDOXCENIVAOR-IBGZPJMESA-N 405.548 5.403 0 40 HKAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 20140225 KJDMGBPERDRCHI-UHFFFAOYSA-N 423.852 5.613 0 40 HKAB CC(C)CCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C3 20795871 IQELXUHZHZUNIE-SFHVURJKSA-N 408.571 5.299 0 40 HKAB O=C(Nc1ccc2c(c1)OCCCO2)c1sc(-c2ccco2)nc1-c1ccccc1 24860260 ZVPOVHOLZZGDAL-UHFFFAOYSA-N 418.474 5.484 0 40 HKAB Cc1ccc2c(C)c(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)oc2c1 27794527 NNVCBTRJUBKBBP-OAQYLSRUSA-N 410.945 5.660 0 40 HKAB CCOc1ccccc1C(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 32623209 MGRAFFLIKGSSOF-UHFFFAOYSA-N 403.413 5.194 0 40 HKAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@H](c3ccc(F)c(F)c3)N1CC2 36735067 CPQKGOHIFYQAKA-ZEQRLZLVSA-N 408.448 5.054 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)N(Cc1ccsc1)Cc1ccccn1 44446070 BQCSACAQRSOBBF-UHFFFAOYSA-N 412.558 5.894 0 40 HKAB O=c1c2ccccc2nc(SCCOc2cccc3ccccc23)n1-c1ccccc1 59182413 ASXNCZNJXZIRDT-UHFFFAOYSA-N 424.525 5.710 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(Cl)ccc2C)nc1 67296610 HOVVPGOWGLFSQK-RWEWTDSWSA-N 403.869 5.583 0 40 HKAB Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)c3cccnc3)CC2)n1 72380157 SWBAHNDVBZOQNI-UHFFFAOYSA-N 405.929 5.049 0 40 HKAB O=C(Nc1c(F)cc(F)cc1-c1ccccc1)[C@@H]1CC(c2ccc(Cl)s2)=NO1 84560019 RPNKJAKHZVQIOF-INIZCTEOSA-N 418.852 5.478 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)O[C@H](c1ccccc1)[C@H](C)c1ccccc1 86053377 YPMQXOFDCXSPCT-CUHINBDFSA-N 408.582 6.552 0 40 HKAB CCCCc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 103718680 YMXJVVHEEWDVTP-INIZCTEOSA-N 404.432 5.040 0 40 HKAB CCc1nnc(S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)O)o1 213412875 ZIFJPXFWZLUOGO-JYRVWZFOSA-N 411.266 5.417 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(OCc2ccccc2)c1 218979196 RPXIUGFDOVMDNU-HSZRJFAPSA-N 401.506 5.606 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1)c1ccccc1 223234915 KSHFYLBKEIPDEY-NCJDQSJGSA-N 404.535 5.095 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)cc1 224210199 AZJQYFSTAVCIDJ-RPBOFIJWSA-N 424.573 5.666 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1ccc(C)c(C)c1 224619850 RFPJNSJQDCVEDT-UHFFFAOYSA-N 403.522 6.096 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)c(C)c1 224959368 YSXZVIYQARCTOP-UHFFFAOYSA-N 402.881 6.531 0 40 HKAB CCC1(CC)C[C@H](NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c2ccccc2O1 224990214 IHPUXPYBGSUASL-YKSBVNFPSA-N 420.597 5.731 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(OC(C)C)cc2)cc1 225325781 BAJHQWNXBFEIGE-JCMHNJIXSA-N 420.534 5.253 0 40 HKAB O=C(COc1cccc2cccnc12)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 226095927 IUPZIYZZGBJEKB-UHFFFAOYSA-N 414.305 5.290 0 40 HKAB Cc1ccc(NC(=O)c2sc3nc(C(F)(F)F)c4c(c3c2N)CCCC4)cc1C 257173652 UIAWRSQTSOPXOR-UHFFFAOYSA-N 419.472 5.645 0 40 HKAB CCOc1ccc(Br)cc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 408554442 CTOCXWRDOBGUJN-KRWDZBQOSA-N 412.736 5.280 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3C)nn2-c2ccc(C)cc2)cc1 408723930 AOWROKJBBNOAGX-UHFFFAOYSA-N 409.533 6.334 0 40 HKAB CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OC 409129576 GRBSHVCPNVDVSZ-GZTJUZNOSA-N 409.935 5.364 0 40 HKAB CCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cc1 409196461 WASDJIHRYATKMZ-UHFFFAOYSA-N 408.523 5.427 0 40 HKAB Cc1cc(-c2ccc(Cl)cc2)c2c(N)c(C(=O)Nc3ccc(F)cc3)sc2n1 658600 WPHHBELSVVYGPQ-UHFFFAOYSA-N 411.889 5.899 0 40 HKAB Cc1ccc(NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1C 707122 BWGFYZKEPHCVEU-VWLOTQADSA-N 414.549 5.215 0 40 HKAB COc1ccc(-c2cc3nc4c(c(NCc5cccc(F)c5)n3n2)CCCC4)cc1 1341560 HPBDWZPMCCHRGK-UHFFFAOYSA-N 402.473 5.035 0 40 HKAB CCCSc1nnc2c3c4c(sc3nc(SCCC)n12)COC(C)(C)C4 2399396 SOGXUFMEXRIFDW-UHFFFAOYSA-N 408.618 5.195 0 40 HKAB CCc1cccc(NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc23)c1 2764310 ZPFFAXLXKNOQCB-UHFFFAOYSA-N 408.545 6.915 0 40 HKAB O=C(c1ccc(Cl)cc1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 3039312 XYCAVZJSSOBFDI-UHFFFAOYSA-N 405.828 6.802 0 40 HKAB O=C(Nc1ccc(Sc2ccccc2Cl)cc1)c1cccc(C(F)(F)F)c1 3116771 IXJPGMJIAKKGQD-UHFFFAOYSA-N 407.844 6.762 0 40 HKAB CCOP(=O)(OCC)[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(F)(F)F 3163866 JABMBWBJTNNNQI-LLVKDONJSA-N 423.155 5.269 0 40 HKAB CCOc1ccc(NC(=O)N[C@@H](c2ccc(C)c(F)c2)C(Cl)(Cl)Cl)cc1 3184218 DSRZOTSEJZANBG-INIZCTEOSA-N 419.711 5.766 0 40 HKAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccc2ccccc2n1 3233288 FAPUMNJNBRZWSB-UHFFFAOYSA-N 412.470 5.221 0 40 HKAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1ncc(C(F)(F)F)cc1Cl 3333600 SEJFQOBZIAWUEF-UHFFFAOYSA-N 416.896 5.673 0 40 HKAB CCOc1cc(C(=O)Nc2ccc3nc(C)sc3c2)cc(OCC)c1OCC 3367333 NAIYAFNXHIYZJA-UHFFFAOYSA-N 400.500 5.053 0 40 HKAB Cc1ccc(SCCC(=O)N(Cc2ccccn2)c2nc3ccccc3s2)cc1 4304717 SANKJOVDFJCQED-UHFFFAOYSA-N 419.575 5.715 0 40 HKAB Cc1cc2nc(N(Cc3cccnc3)C(=O)CCc3ccccc3)sc2cc1C 4304987 VLACNGVSWRHPJU-UHFFFAOYSA-N 401.535 5.474 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3cnc4ccccc4c3)c3ccccc3n2)cc1 4321372 GQSFNYPFPSENAK-UHFFFAOYSA-N 405.457 5.711 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)cc1 4424537 UMSSNKHYDZHKPX-SANMLTNESA-N 423.560 5.531 0 40 HKAB Fc1ccccc1/C=C/c1cc(/C=C/c2ccccc2F)nc(-c2ccccc2F)n1 4660072 JBKDPHVYHQTQPT-WXUKJITCSA-N 414.430 6.902 0 40 HKAB CSc1nnc2c(n1)O[C@H]([C@@H]1CCC(CCC=C(C)C)=C[C@H]1C)Nc1ccccc1-2 5044067 OWVUXVZIIPHBLW-RADWXHQJSA-N 422.598 6.110 0 40 HKAB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)c(OC)c1 5163660 WHZYEDGTWVFQTK-HUVFLSCGSA-N 415.961 5.226 0 40 HKAB C[C@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1ccccc1Cl 5239436 CNRFRLUDLCVKAM-JTQLQIEISA-N 400.813 5.068 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccccc2)cc1 5546087 LRKCLMUKMSOCKB-JTHBVZDNSA-N 409.316 6.544 0 40 HKAB Cc1nn2c(SCc3ccccc3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 5561653 OQSCVHBTXYJPME-UHFFFAOYSA-N 421.997 6.948 0 40 HKAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(C(C)C)cc2)NC(=O)N1 6053096 MSUKKTNDZXBYNF-IBGZPJMESA-N 417.431 5.095 0 40 HKAB CCc1ccc(/C=N/n2c([C@H](C)CC)nc3ccc(Br)cc3c2=O)cc1 6356170 WFBVDCDCXABLCT-JMKVTYIUSA-N 412.331 5.117 0 40 HKAB O=C(NC(=S)Nc1cccc2cc(O)ccc12)c1cccc2c(Cl)cccc12 6615511 NEEBEWLUKOGIQA-UHFFFAOYSA-N 406.894 5.479 0 40 HKAB O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)Nc1ccc(Cl)c(Cl)c1 6616432 GJIQPDURCXCUNC-UHFFFAOYSA-N 413.260 5.411 0 40 HKAB Cc1ccc(C2=NN(c3c(F)c(F)cc(F)c3F)[C@H](c3ccc(Cl)cc3)C2)cc1 8432711 QLPPOTQCEKMNHX-IBGZPJMESA-N 418.821 6.561 0 40 HKAB Cc1cc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)ccc1Br 8709669 JVDXDPZUPSLCRH-UHFFFAOYSA-N 405.239 5.465 0 40 HKAB O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC[C@H]1c1nc2ccccc2s1 8773115 DCANLZZDWGBFHM-HNNXBMFYSA-N 413.351 5.129 0 40 HKAB O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(Br)s1 9354742 CJFLLPGVOMRJMY-UHFFFAOYSA-N 418.135 5.135 0 40 HKAB Cc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(Cl)cc1 9374516 ZTQVMSINFUKHAE-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc1 9660154 HHHHMTRDFCUJBJ-UHFFFAOYSA-N 403.409 5.250 0 40 HKAB biogenic CC(C)C(=O)N1N=C(c2ccc(Cl)cc2Cl)C[C@H]1c1ccc2nccnc2c1 12408385 NGLNBYWZZXBORE-FQEVSTJZSA-N 413.308 5.270 0 40 HKAB CC[C@H](C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1Cl)c1ccccc1 12441264 HJYZEJDBQAQLRO-KRWDZBQOSA-N 420.900 5.191 0 40 HKAB Cc1ccc(NC(=O)[C@@H](NCc2c(C)nn(-c3ccccc3)c2C)c2ccccc2)cc1 12812756 BZPSPWIHOFKNBZ-SANMLTNESA-N 424.548 5.267 0 40 HKAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N(C)Cc3ccccc3Cl)c12 12864795 OSPTUWFASLVJFI-UHFFFAOYSA-N 409.848 5.263 0 40 HKAB O=C(NCCSCc1cccc(Cl)c1)c1ccccc1OCc1ccccc1 13686999 ULDCOPXKUJEPDL-UHFFFAOYSA-N 411.954 5.582 0 40 HKAB O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N(C1CCCCC1)C1CCCCC1 13946681 LQAAXKHAWXNOMQ-UHFFFAOYSA-N 424.821 6.303 0 40 HKAB Cc1cc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c2c(C)noc2n1 14217511 FMSFTQFXXSDXEP-UHFFFAOYSA-N 400.463 5.369 0 40 HKAB Cc1ccc(CCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 20487886 LNAREAMAGBXHSA-UHFFFAOYSA-N 414.549 6.116 0 40 HKAB Fc1ccc(-c2csc3ncnc(Sc4nnc(-c5cccs5)o4)c23)cc1 20667424 CIWWVIXGJWPPBW-UHFFFAOYSA-N 412.496 5.760 0 40 HKAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 21904458 LKCPJHIPEMDIQK-MRXNPFEDSA-N 408.885 5.091 0 40 HKAB O=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccc(Cl)cc1 22072616 HPDWMQRYGKMZGQ-UHFFFAOYSA-N 402.679 5.493 0 40 HKAB Cc1ccc(-n2c(S[C@@H](C)c3nc(C(C)C)no3)nc3ccccc3c2=O)cc1F 24828775 XTDCXFRWGNIVKT-AWEZNQCLSA-N 424.501 5.193 0 40 HKAB CCCOc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 28288570 MWZZMHURZFONGX-UHFFFAOYSA-N 400.931 5.225 0 40 HKAB Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2n1C(=O)c1ccccc1 28535232 JZFQWQJDBZBPQT-UHFFFAOYSA-N 423.394 5.183 0 40 HKAB CCc1ccc(NC(=O)c2nnc(CN(C)[C@@H](C)c3cc4ccccc4o3)s2)cc1 29718470 GXQYTVZCUGMVTE-HNNXBMFYSA-N 420.538 5.292 0 40 HKAB Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1-c1nc(-c2ccc(F)cc2)no1 31813736 IMTQLGUZSPOZAX-UHFFFAOYSA-N 414.849 5.213 0 40 HKAB Cc1ccc(-c2csc(-n3c(NC(=O)Cc4cccc(C)c4)cnc3C)n2)cc1 32616182 DWEOSGHHHKPZLD-UHFFFAOYSA-N 402.523 5.102 0 40 HKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)cc1 33693159 HRVDZTNPZZYSSP-UHFFFAOYSA-N 415.990 5.365 0 40 HKAB Cc1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1Cl 38849684 WUEPLYSUDLNQOJ-UHFFFAOYSA-N 411.760 5.806 0 40 HKAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 40061879 ISHKMTHVAYFCHR-OALUTQOASA-N 401.535 5.186 0 40 HKAB COc1cc(CN(C(=O)Nc2ccccc2C(C)C)C2CC2)ccc1OC(F)F 40119931 DWHSCTUVZRTSJW-UHFFFAOYSA-N 404.457 5.617 0 40 HKAB COc1ccc(Nc2nc3c(c(-c4ccccc4)n2)CCC/C3=C\c2ccccc2)cc1 40385494 YIYMORSALHRVES-ZBJSNUHESA-N 419.528 6.773 0 40 HKAB CCc1nn2c(ncc3c(=O)n([C@H]4CCCC[C@H]4C)ccc32)c1-c1ccc(F)cc1 40396762 DKRIOYMDFQIBNG-QRWLVFNGSA-N 404.489 5.164 0 40 HKAB O=C(COc1ccc(Cl)cc1Br)Nc1ccc(N2CCCCC2)cc1 40943942 QQWJSXKYLDQFCB-UHFFFAOYSA-N 423.738 5.110 0 40 HKAB Cc1ccc(-c2csc3c(=O)n(Cc4ccc(Br)cc4)cnc23)cc1 49002876 BMAMGQLVGFKKDU-UHFFFAOYSA-N 411.324 5.244 0 40 HKAB Cc1cc(OCC(=O)Nc2c(C)cccc2C)nc(-c2ccc(C(F)(F)F)cc2)n1 49006992 WNTGVVASDWCQDU-UHFFFAOYSA-N 415.415 5.105 0 40 HKAB Cc1nc(-c2cccc(NC(=O)N3CCC(C(=O)c4ccccc4)CC3)c2)oc1C 56731091 RLXQEFFTSWWECH-UHFFFAOYSA-N 403.482 5.085 0 40 HKAB Oc1nc(SC/C(=C/Cl)Sc2ccccc2)nc2sc3c(c12)CCCC3 57505508 BGGRLSWEOMUGLS-RAXLEYEMSA-N 421.012 6.240 0 40 HKAB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1ccc(-c2ccccc2Cl)o1 58434095 CBXLNGSAFZBDLD-UHFFFAOYSA-N 405.841 5.743 0 40 HKAB COc1ccc(N(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)[C@H](C)C2CC2)cc1 60306823 MHFQXYGAZVHHDX-LJQANCHMSA-N 403.526 5.002 0 40 HKAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ncc(-c2ccc(C)cc2)o1 71844274 PQVPJOHMLZMOHU-DHIUTWEWSA-N 402.538 5.767 0 40 HKAB C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1CCC21OCCO1 77272727 OAPZVJZTHJRGNF-XPGKHFPBSA-N 404.550 5.865 0 40 HKAB in-vitro Cc1ccc(CNCc2ccc(-c3ccccc3S(=O)(=O)NC(C)(C)C)cc2)cc1 95642818 FKDPPJLDRHYDSM-UHFFFAOYSA-N 422.594 5.029 0 40 HKAB Clc1ccc2oc(SC/C=C/CSc3nc4cc(Cl)ccc4o3)nc2c1 96136965 ZWBZMZMFUIKYRE-OWOJBTEDSA-N 423.346 6.716 0 40 HKAB O=C1Nc2cc(Cl)ccc2/C1=C/c1nn(Cc2ccccc2)cc1-c1cccnc1 96766603 WMANJYRJXMKOFN-NDENLUEZSA-N 412.880 5.140 0 40 HKAB CCC(Pc1ccccc1-c1ccccc1)Pc1ccccc1-c1ccccc1 98073367 REGMRRKFKNPYIB-UHFFFAOYSA-N 412.453 7.065 0 40 HKAB Cc1ccc(NC(=O)NC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1NC(=O)NC[C@@H]1C[C@H]2CC[C@@H]1C2 100934913 FCHPHCIYHHHYAK-ZPLOVTKXSA-N 424.589 5.110 0 40 HKAB CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 106682195 BOSUUFNQIKNORK-ODLFYWEKSA-N 401.915 5.611 0 40 HKAB Nc1c(Br)cc(Br)cc1-c1nc2ccc(Cl)cc2s1 118717847 VZYOPIQMXFPRKU-UHFFFAOYSA-N 418.541 5.724 0 40 HKAB FC(F)(F)CCCCCCCCCCCCCCCCCCCCC(F)(F)F 169795227 LPQHESLPXVQUSA-UHFFFAOYSA-N 418.550 9.913 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cccc(N2CCCC2=O)c1 219210200 GBFLLZMJERYWMV-UHFFFAOYSA-N 406.869 5.511 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2F)cc1C(C)C 223379819 DUDTWCUMUVSWIW-OAHLLOKOSA-N 423.981 6.030 0 40 HKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 223764394 GCQLEUMUGXSCQD-PMACEKPBSA-N 401.934 5.696 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cnn(-c2ccc(Cl)cc2)c1 224058296 FOCWAHDVDGJLRB-UHFFFAOYSA-N 424.287 6.224 0 40 HKAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 224221332 DIDJCWLAKFVRGW-VWLOTQADSA-N 416.565 5.024 0 40 HKAB CCc1ccc(OCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 224276389 RFFOEBZABKXRHC-UHFFFAOYSA-N 409.913 5.290 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1CSc1ccc(C)cc1 224343100 CVGLOYBDRMFQPM-FQEVSTJZSA-N 419.590 6.047 0 40 HKAB CCCOCc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1OCC 224706416 WIRLQAZOIRAQGC-UHFFFAOYSA-N 410.283 5.166 0 40 HKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)ccc1F 224914096 KASJYSVZEJCKQH-XZOQPEGZSA-N 420.557 5.623 0 40 HKAB O=C(O)[C@@H](Cc1ccccc1Sc1ccccc1)Sc1ccc(Cl)cc1 225132222 YPZXWMYBWMLBJU-HXUWFJFHSA-N 400.952 6.279 0 40 HKAB COc1ccc(CNC(=S)Nc2cccnc2Sc2ccc(Cl)cc2)cc1 225190797 SAXIFMFZBBAQRM-UHFFFAOYSA-N 415.971 5.381 0 40 HKAB CC[C@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C 225560309 DOVJQSWQVBFDLO-FQEVSTJZSA-N 409.570 6.330 0 40 HKAB CN(Cc1ccccc1F)C(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 225909637 HQCXLNNBETZGIQ-INIZCTEOSA-N 409.332 5.003 0 40 HKAB Cc1cccc2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(=O)oc12 226035653 DPIMCPCSGNJKGI-UHFFFAOYSA-N 405.837 5.799 0 40 HKAB COc1cccc(Cc2ccc([C@H]3CCCN3Cc3cn(C)c4ccccc34)nc2)c1 257214234 CLDQKHJSBZAZPX-HHHXNRCGSA-N 411.549 5.510 0 40 HKAB CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc1 260788395 ZSBYUJJUMMWVLN-PDIWNELESA-N 418.566 5.250 0 40 HKAB Cc1c(Cl)cccc1NCc1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 409119007 RANZBRGQTFYAFZ-UHFFFAOYSA-N 424.730 7.285 0 40 HKAB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3C)n2C)cc1 409197110 WDRJUZHPTNXNIK-QPLCGJKRSA-N 414.530 5.479 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1 409375684 NXHPNOIVZLFVPA-UHFFFAOYSA-N 424.928 5.541 0 40 HKAB O=C([C@H]1CCC[C@H](C(F)(F)F)C1)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 514571108 RUYRZBOLTRRZFS-DDNHJUOSSA-N 409.492 5.946 0 40 HKAB CC[n+]1c(/C=C/C=C2\C=C(c3ccccc3)c3ccccc3S2)sc2ccccc21 685944440 MEACJXRFWZQQMD-CVHHLGAXSA-N 424.614 7.343 0 40 HKAB CC(=O)c1nn(-c2ccc(Br)cc2)/c(=N/c2cccc3ccccc23)s1 705375 VJNUYEKOGPVBTQ-XDOYNYLZSA-N 424.323 5.285 0 40 HKAB Cc1cccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)c1C 919439 HTLWLZKOLJPTLT-RHSMWYFYSA-N 404.392 5.006 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 1005041 CTZRPINCTORIMY-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)C(C)(C)O3)cc1 1342433 XIDCVHYQSSDJCO-UHFFFAOYSA-N 418.468 5.091 0 40 HKAB c1ccc(CSC(SCc2ccccc2)(c2ccccc2)c2ccccc2)cc1 1687435 MENTYQIDBMTYNE-UHFFFAOYSA-N 412.623 7.755 0 40 HKAB CCCCC1(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H]1C 1815694 JIMPELPXBXADEI-LJSKOJCJSA-N 406.397 6.573 0 40 HKAB CCCOC(=O)c1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 2082460 QVSKKBRIUCIEOK-JOCHJYFZSA-N 405.519 5.726 0 40 HKAB CC[C@@]1(C)Cc2c(sc3nc(SCc4ccc5ccccc5c4)nc(N)c23)CO1 2222290 LNVSVBIYASSHDE-QHCPKHFHSA-N 421.591 5.960 0 40 HKAB CCCCCCc1c(C)c2cc(Cl)c(OCc3ccccc3OC)cc2oc1=O 2247158 FBWZPIZDOSEREJ-UHFFFAOYSA-N 414.929 6.465 0 40 HKAB Cc1cc(C)cc(-n2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)c1 2403518 CUHYFNFSXBSFFW-UHFFFAOYSA-N 422.488 5.130 0 40 HKAB CCCCc1nc2sc3c(NCCC(C)C)nc(SC)nc3c2c2c1CCC2 2406355 IHWTURJPPBNBDF-UHFFFAOYSA-N 414.644 6.251 0 40 HKAB CCCCCOC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 2429149 NCVRCGMZFOWUCC-UHFFFAOYSA-N 416.525 5.626 0 40 HKAB O=C(CSc1nnc(-c2ccco2)o1)Nc1ccccc1Sc1ccccc1 3295247 QSNYUYQSOZXDTI-UHFFFAOYSA-N 409.492 5.212 0 40 HKAB COc1ccccc1[C@]1(CCN(Cc2ccccc2)C(C)=O)CCO[C@H](C(C)C)C1 4043215 QBAQLXNSVGMBMM-IZZNHLLZSA-N 409.570 5.207 0 40 HKAB biogenic COc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(C)cc32)cc1OC 4129876 QCMJXAGPTSSSFP-UHFFFAOYSA-N 405.885 5.100 0 40 HKAB COc1cccc(NC(=O)[C@@H](Sc2nc3ccc(OC)cc3[nH]2)c2ccccc2)c1 4252199 OLYSGMSMPPCCJE-NRFANRHFSA-N 419.506 5.052 0 40 HKAB O=C(Cc1ccccc1)Nc1nnc(SCc2ccc(Cl)c(Cl)c2)s1 4328540 RSEKRSYSEYXECI-UHFFFAOYSA-N 410.351 5.318 0 40 HKAB CC(C)(C)C(=O)Nc1sc2c(c1C(=O)Nc1cccc3ccccc13)CCCCC2 4568502 WZLBQJZPCXSKTD-UHFFFAOYSA-N 420.578 6.407 0 40 HKAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccccc3CC)c2c1 4610408 BNUJXGHEBHFGGI-UHFFFAOYSA-N 414.936 6.932 0 40 HKAB CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 4715848 ZYEVJCTXJALKPZ-DHLKQENFSA-N 418.468 5.475 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Nc2ccccc2)cc1 4749456 AQYYGSHQTWYACI-AWEZNQCLSA-N 401.293 6.143 0 40 HKAB CCCCn1c(SCC(=O)Nc2c(CC)cccc2CC)nc2ccccc2c1=O 5014269 FCPGILDEKOWCEC-UHFFFAOYSA-N 423.582 5.052 0 40 HKAB CCCCCCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccccc1 5257575 OIVYMCRURHNYKF-FLFQWRMESA-N 405.394 7.336 0 40 HKAB Cc1cccc(C)c1NC(=O)[C@@]1(c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 5451989 QRNLYBMOUJIAJX-DEOSSOPVSA-N 404.897 5.228 0 40 HKAB CC(=O)Oc1cc(C(c2ccccc2)c2ccccc2)c2ccccc2c1OC(C)=O 5699414 DZMBYWAOYDTRKY-UHFFFAOYSA-N 410.469 5.871 0 40 HKAB CCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)c1 5713954 IZFFMYXGHANXNL-UHFFFAOYSA-N 406.869 6.108 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1c2nc2ccccc2c1C(=O)O 6500079 YXDIPGYMNWXTTF-ROCIFGRISA-N 419.565 5.350 0 40 HKAB CCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)c(C)nn2c1-c1ccc(C)cc1 6892119 XEWKUJXPVVGHBL-UHFFFAOYSA-N 405.885 5.510 0 40 HKAB COc1ccccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 6967671 KJOBSACBNFGQNV-UHFFFAOYSA-N 409.294 5.143 0 40 HKAB CCc1nnc(S/C(=C\c2c(-c3ccccc3)[nH]c3c(C)cccc23)C(=O)O)[nH]1 7342384 KQZUZAVHGMWVNL-ATVHPVEESA-N 404.495 5.042 0 40 HKAB Cc1cccc(C)c1-n1c(C)cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c1C 7342894 OOFXLYYJSSDOLV-BKUYFWCQSA-N 417.534 5.805 0 40 HKAB O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCC(Cc2ccccc2)CC1 7654101 VYMIZTVBQATCHE-RUZDIDTESA-N 402.513 5.460 0 40 HKAB COc1cc(C(=O)Nc2ccccc2C(C)(C)C)ccc1OCc1c(C)noc1C 7718321 ZUVWPTJYEOPTJW-UHFFFAOYSA-N 408.498 5.429 0 40 HKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)COc1ccccc1C 8321326 YMLANVPGJATIKS-UHFFFAOYSA-N 414.509 5.178 0 40 HKAB COc1cc(CNCCc2ccc(F)cc2)ccc1OCc1c(F)cccc1Cl 8471339 OABPSXAMFZJMQL-UHFFFAOYSA-N 417.883 5.538 0 40 HKAB COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3cc(C)ccc3C)cc2O)c1 8973093 BBRJIYYGVNNCPC-UHFFFAOYSA-N 416.477 5.779 0 40 HKAB CCCCc1cc(=O)oc2c(C)c3c(cc12)C(=O)CC1(CCC(C(C)(C)C)CC1)O3 9053542 ZRYJFHLRVOTYSO-UHFFFAOYSA-N 410.554 6.384 0 40 HKAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc3c2O[C@@H](C)[C@H]3C)cc1 9499346 BDTFDAJBVYQITI-CVEARBPZSA-N 416.477 5.084 0 40 HKAB CCC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 9579583 MDEDLDDLFLTVFX-IBGZPJMESA-N 416.506 5.282 0 40 HKAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(F)c(Cl)c3)cs2)cc1 9625362 VGDPWHXKBFACGL-UHFFFAOYSA-N 418.881 5.069 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)/C=C/c1cccc(F)c1)CC2 9666849 JCYMPUPCJCPAML-HCXLOTKHSA-N 423.509 5.092 0 40 HKAB C[C@@H](Sc1ccc2c(c1)OCCO2)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 9690639 UGZMROVYQFOEQP-CYBMUJFWSA-N 422.531 5.276 0 40 HKAB COc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccc(Cl)s3)nc2c1 9829743 CDXZSPUBJGNIIR-UHFFFAOYSA-N 415.927 5.262 0 40 HKAB Cc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)c2ccc(Cl)cc2)cc1 12250558 BMRBRRBVXDPOEF-UHFFFAOYSA-N 424.953 5.888 0 40 HKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1nc2ccc(F)cc2s1 12261559 HVBMQALGLWDOQV-UHFFFAOYSA-N 401.850 5.315 0 40 HKAB Cc1occc1-c1nnc2sc(-c3cc(-c4cccs4)nc4ccccc34)nn12 12321224 CPJWDEGEAIEXEV-UHFFFAOYSA-N 415.503 5.698 0 40 HKAB O=C(c1cccc(Oc2ccccc2)c1)N1CCC[C@@H]1c1nc2ccccc2s1 12589166 JPENSNKKTSBOHD-OAQYLSRUSA-N 400.503 6.066 0 40 HKAB COc1ccc(-c2cc(COC(=O)C3(c4ccc(Cl)cc4)CCCC3)no2)cc1 12726485 OJKYNGBMKNIVFR-UHFFFAOYSA-N 411.885 5.559 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN[C@H](C)c4ccccc4Cl)[nH]c(=O)c23)cc1 12804666 GAWWWMZEQCTZRL-CQSZACIVSA-N 423.969 5.773 0 40 HKAB Cc1ccc(NC(=O)c2nnc3c(-c4cccc5ccccc45)c(C)nn3c2C)cc1 13635701 JWQZMWSTGTXVIT-UHFFFAOYSA-N 407.477 5.122 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc(C)cc1 14082292 NSPUPKWEDRQBIL-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB O=C(CSc1nc(/C=C/c2cccs2)n[nH]1)Nc1ccc(SC(F)F)cc1 14809465 LQPAZEYNTOQEHP-BQYQJAHWSA-N 424.523 5.082 0 40 HKAB Clc1ccccc1COc1ccc(Br)cc1CNC1CCCCCC1 16449942 QIGLVRTZHCPIRE-UHFFFAOYSA-N 422.794 6.494 0 40 HKAB CCCC(=O)N1N=C(c2ccc(Cl)cc2)Sc2c1nc(CC)n2C(=O)CCC 16777659 NOSBKCIEKAOYOD-UHFFFAOYSA-N 418.950 5.140 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1cccs1 17088341 NNXWIEGTIKHCJW-UHFFFAOYSA-N 409.561 5.460 0 40 HKAB O=C(Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1cccnc1Cl 17091648 XFZGLRICINNIGR-UHFFFAOYSA-N 418.667 6.102 0 40 HKAB O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 18145607 AOIWSYFLKMQHLZ-UHFFFAOYSA-N 420.727 5.157 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3[C@H]2C(=O)c2cc(C(C)(C)C)ccc2O)c(C)c1 19941815 GDKOIJHCDRLVBP-DEOSSOPVSA-N 413.517 5.891 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)/C=C/c3ccccc3Cl)c2)cc1 20038360 OGAHLBSKOLMWPJ-DTQAZKPQSA-N 417.936 6.520 0 40 HKAB Cc1ccc([C@@H](NC(=O)c2ccc(CSc3ccccc3)cc2)c2ccccc2)cc1 20105854 NGZCKASINAEOLF-MHZLTWQESA-N 423.581 6.807 0 40 HKAB O=C(O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1Cl 20139548 NXRQUSSPRABCKJ-UHFFFAOYSA-N 400.670 5.812 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc2nsnc2c1 21596033 CYZMSNAVJGDCFS-UHFFFAOYSA-N 422.922 5.874 0 40 HKAB Brc1ccc(OCc2nn3cc(-c4ccccc4)c4c3n2CCCC4)cc1 28047825 VZJZLYHJBXMAIY-UHFFFAOYSA-N 422.326 5.481 0 40 HKAB Cc1ccc([C@@H](NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 30855197 HKHFDGCMYFDVIO-NRFANRHFSA-N 420.361 5.511 0 40 HKAB CCOc1ccc(NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)cc1OCC 31182991 AFLZEIAAYOLPIP-UHFFFAOYSA-N 411.527 5.235 0 40 HKAB CCc1ccccc1NC(=O)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21 31903563 MOLFDFKVUHSQHP-UHFFFAOYSA-N 403.913 5.482 0 40 HKAB COc1ccc(/C=C(/C(=O)Nc2ccc(C)c(C)c2)c2nc3ccccc3s2)cc1 32704604 SGWZQIKUWRZSAZ-QNGOZBTKSA-N 414.530 6.101 0 40 HKAB COc1ccc(-c2nc(CSCC(=O)Nc3c(C)cc(C)cc3C)cs2)cc1 32779062 MLTUDOHJZWCHPT-UHFFFAOYSA-N 412.580 5.616 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)ccc3o2)cc1 35074296 CXAQUOLYPDMHJK-UHFFFAOYSA-N 422.484 6.932 0 40 HKAB CCCn1cc(-c2nc(-c3ccc(OC(C)C)cc3)no2)c(=O)c2cc(F)ccc21 49001956 LUWNIOWZPNPKSC-UHFFFAOYSA-N 407.445 5.055 0 40 HKAB O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(Br)cc1Cl 64985199 GILUWCQOVBVOQA-UHFFFAOYSA-N 416.702 5.787 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(C)cc3Cl)oc12 67293633 PVGJUGVFONAQOX-RWEWTDSWSA-N 419.868 5.283 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2cc3c(s2)CCCCCC3)c(C(F)(F)F)c1 71822506 LRUPRVFMLDKWCX-UHFFFAOYSA-N 410.461 5.637 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(Oc3ccccc3)nc2)cc1 72212177 LSJIFABRHMPDFP-JOCHJYFZSA-N 408.523 5.098 0 40 HKAB Nc1cc(Cl)c(NC(=O)c2cccc(Br)c2)cc1NC1CCCCC1 72229263 BCXHYVJRBXUEGD-UHFFFAOYSA-N 422.754 5.682 0 40 HKAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1[C@@H]3CC[C@H](c4ccccc43)[C@@H]12 101044698 DALTUKWWYJSZDX-JUFXHULESA-N 420.163 5.554 0 40 HKAB C[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 102260228 HFRNHJYJVOKNSJ-OTQABONWSA-N 424.972 5.142 0 40 HKAB CCc1ccc(N2C(=S)N(C(=O)c3ccco3)[C@H]3C[C@@]2(C)Oc2ccccc23)cc1 102906813 BOCCRRMOMFPJCF-YADARESESA-N 418.518 5.329 0 40 HKAB CCOc1cc(C(=O)Nc2cccc3ccccc23)cc(Br)c1OCC 107683703 MQBGIHRMYFRCGM-UHFFFAOYSA-N 414.299 5.652 0 40 HKAB CC(C)(C)OC(=O)N1[C@H](c2ccccc2Br)C[C@@]2(C)[C@@H]1CCCC[C@H]2O 218903817 XEIFVCXADPAIJV-UGNRZPKXSA-N 424.379 5.441 0 40 HKAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCS[C@H](c2ccccc2F)CC1 219159811 YGWZWECFBXJNQQ-INIZCTEOSA-N 420.358 5.001 0 40 HKAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1 219684780 MUCOCDYHUOREBQ-AWEZNQCLSA-N 404.304 5.177 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CCc3ccc(F)cc3)c2)cc1 223011792 KDCBSWKEVGZFTG-UHFFFAOYSA-N 403.497 5.926 0 40 HKAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1cc(C)cc(C)c1C 224274566 SNWHFSUWKWERJR-UHFFFAOYSA-N 423.940 5.783 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccc(C)c(C)c1 224622989 YGQDRYDRQZJVGP-UHFFFAOYSA-N 421.562 6.255 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1CSc1ccc(C)cc1 224662018 IMDMDMVICOAHDO-UHFFFAOYSA-N 411.954 6.592 0 40 HKAB CC(=O)c1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)c1 224962734 XBHBDZWQCYMVQJ-UHFFFAOYSA-N 416.864 6.117 0 40 HKAB COc1cc(C)c(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1C(C)C 225039200 AKMCNPMFKZNZGB-LJQANCHMSA-N 417.571 5.016 0 40 HKAB Cc1cc(C)c(C)c(O[C@@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)O)c1 225134332 HJTDFJMUKVYVGU-QHCPKHFHSA-N 410.897 6.132 0 40 HKAB Cc1ccccc1CSCCCNC(=S)Nc1cccc(Br)c1 225600007 XZXGXRGTJAUOCK-UHFFFAOYSA-N 409.418 5.367 0 40 HKAB Cc1nn2c(nnc3c(=O)n([C@@H]4CCC[C@H](C)[C@H]4C)ccc32)c1-c1ccc(Cl)cc1 253566595 JDADACFPPUPSLB-PMUMKWKESA-N 421.932 5.065 0 40 HKAB CC(C)COc1ccc(C(=O)O)cc1-c1cc(-c2cccc(F)c2)n(CC(C)C)n1 257201773 AIZXZUUIGUYYFG-UHFFFAOYSA-N 410.489 5.745 0 40 HKAB Cc1c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n(-c2ccccc2)c1C 260765973 IOCOOTXIXKNTFT-DURYTUKUSA-N 402.567 5.387 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C)cc1 408554291 RJOJTCBYIGPKGD-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1OC 408558009 RKGPJBOIQYWYMH-UHFFFAOYSA-N 420.509 5.032 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2)cc1 408563839 ROUSJDHFNKDWJU-UHFFFAOYSA-N 423.581 6.807 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 408629280 UTXKZMVTSMEWEZ-UHFFFAOYSA-N 400.950 6.008 0 40 HKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(Cl)c2C)cc1 408676317 NAYGTUKZIZCWKD-UHFFFAOYSA-N 402.881 5.698 0 40 HKAB COc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(C)c3C)n2)cc1 408696179 XHOZRERLARYRHT-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\C=C\c2ccccc2)C1=O 408804986 IDKMPERIGZFGSB-BEMXJYLTSA-N 403.571 6.297 0 40 HKAB Cc1cccc(CSCCNC(=O)CSCc2ccccc2Br)c1 408920630 KWBAGNCUSBTRRI-UHFFFAOYSA-N 424.429 5.040 0 40 HKAB O=C(Nc1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1 408971000 FOSLWOOHYMPGPC-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB Cc1ccc(-c2ccc(/C=C3\Sc4ccccc4NC3=O)o2)c(Br)c1 409096788 KNUOPWSUPHZPMD-ODLFYWEKSA-N 412.308 6.103 0 40 HKAB Cc1cc(Br)c(NC(=O)CSc2ccc3ccccc3c2)cc1C 409180719 ZGVZAOIYKKYYPX-UHFFFAOYSA-N 400.341 5.950 0 40 HKAB Cc1cccc(CN2C(=O)N/C(=C\c3ccccc3Sc3ccccc3)C2=O)c1 409221565 SBMPZJHHWLVGST-QNGOZBTKSA-N 400.503 5.239 0 40 HKAB Cc1ccc(OCc2nc(N3CCC[C@H]3c3ccc(Cl)cc3)ncc2C(=O)O)cc1 585267312 KCBVZXLGCOXSLW-NRFANRHFSA-N 423.900 5.057 0 40 HKAB C[C@@H](CCc1ccccc1)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 672967 NNKSIQOENNVKNW-SFHVURJKSA-N 424.500 5.382 0 40 HKAB O=C1CCCc2oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3c21 844080 QRRWISCUFWINHN-UHFFFAOYSA-N 410.278 5.059 0 40 HKAB CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 1243351 KIZUAJDRMFLPPE-UHFFFAOYSA-N 417.292 6.100 0 40 HKAB O=C(CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)N1CCc2ccccc21 1332757 ZLEXVTXUHBGKCT-UHFFFAOYSA-N 421.591 5.129 0 40 HKAB O=C(NC1CCCC1)[C@H](c1ccsc1)N(C(=O)Cc1cccs1)c1ccccc1 1333687 WYTJNTVBBHZTLC-QFIPXVFZSA-N 424.591 5.185 0 40 HKAB Cc1ccc2cc(CN(Cc3ccccc3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 1352829 ROTHDBABOZPCRO-UHFFFAOYSA-N 415.468 5.210 0 40 HKAB C[C@H]1CCCCN1Cc1ccccc1COC(=O)c1cccc(Br)c1 1716186 TUKLUQBCQLQCTC-INIZCTEOSA-N 402.332 5.181 0 40 HKAB c1ccc(CN2COc3c4c(c5ccccc5c3C2)CN(Cc2ccccc2)CO4)cc1 1719314 JGDZJFMAWQTHED-UHFFFAOYSA-N 422.528 5.544 0 40 HKAB Cc1nn(-c2ccccc2)c(NC(=O)c2ccccc2Cl)c(-c2ccccc2)c1=O 2230226 FYHKTTLOYRRAGP-UHFFFAOYSA-N 415.880 5.114 0 40 HKAB CCc1ccc(-c2cc(C(=O)O[C@H](CC)C(=O)c3ccccc3)c3ccccc3n2)cc1 2317977 ORGBFCZUGBGVTE-AREMUKBSSA-N 423.512 6.283 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)n2C)c1 2330796 UJQXCYKSFZHVAE-UHFFFAOYSA-N 414.534 5.188 0 40 HKAB Clc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@H](c1cccs1)N1N=CNC1=N2 2401751 VXTGLPYRHQMMRG-LEWJYISDSA-N 418.909 5.206 0 40 HKAB CCCSc1nc(NCCCN(CC)CC)c2c3c(sc2n1)COC(C)(C)C3 2439210 GHHULRSDMYJYOW-UHFFFAOYSA-N 422.664 5.189 0 40 HKAB O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccccc1Br 2961309 AORKEKQJZVLMHY-UHFFFAOYSA-N 410.296 5.373 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1 2961549 OZSMDTLAGWCWOU-UHFFFAOYSA-N 417.534 6.098 0 40 HKAB Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2ccc(Br)cc2)cc1 3216559 UQXSHZMCPNAURE-UHFFFAOYSA-N 424.294 5.220 0 40 HKAB Cc1ccc(CNC(=O)CSc2ncnc3scc(-c4ccccc4)c23)cc1 3260811 DZSFDFYLSDNMQU-UHFFFAOYSA-N 405.548 5.075 0 40 HKAB CCOc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccccc1Cl 4413529 KDDUETKOEPVGFY-UHFFFAOYSA-N 417.336 5.656 0 40 HKAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)N1CCc2ccccc2C1 4601680 HVCQZAGULHYQAJ-UHFFFAOYSA-N 417.559 5.035 0 40 HKAB Clc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN23)c1 4693680 ACQOTEUWJIFECV-YKSBVNFPSA-N 418.880 5.354 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 4710984 NHEOKHVOKMDJEA-UHFFFAOYSA-N 401.491 5.184 0 40 HKAB Cc1nc(SCC(=O)Nc2ccccc2Cc2ccccc2)n(C2CCCC2)c1C 5090082 WOARFDMHOAOPPX-UHFFFAOYSA-N 419.594 5.937 0 40 HKAB Cc1ccc(COc2ccc(/C=C3\SC(=O)N(c4cccc(O)c4)C3=O)cc2)cc1 5376173 KLCYVHOBVWRVSM-XKZIYDEJSA-N 417.486 5.521 0 40 HKAB Cc1ccc2c(c1)[C@H]1CC(c3ccc(Cl)cc3Cl)=NN1C1(CCN(C)CC1)O2 5478447 SAOVAMPHQMDJNU-HXUWFJFHSA-N 416.352 5.267 0 40 HKAB COc1ccc([C@H](CCNCc2ccc(OC(C)C)cc2)c2ccc(F)cc2)cc1 5517991 BLHMFYDBWSNAGG-AREMUKBSSA-N 407.529 5.933 0 40 HKAB Cc1cccc(C)c1OCc1nnc(S[C@H]2CCCCC2=O)n1-c1ccccc1 5890219 PEVQWPHSQGLUSL-FQEVSTJZSA-N 407.539 5.067 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1nc2ccccc2c(=O)[nH]1)c1ccccc1 6508483 LUHGFVXQMXKYRC-JOCHJYFZSA-N 411.486 5.121 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3ccc(SC(C)C)cc3)n2)c(OC)c1 7598051 MEECHAWLPQOBMB-UHFFFAOYSA-N 414.552 5.580 0 40 HKAB COc1ccc(Nc2nc(CSc3nc(-c4ccc(C)cc4)n[nH]3)cs2)cc1 8161953 HDEDAMGVMDHKEH-UHFFFAOYSA-N 409.540 5.281 0 40 HKAB CC(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3c(Cl)cccc3s2)cc1 8601571 PPZYPEHAEPPFOU-UHFFFAOYSA-N 421.909 5.394 0 40 HKAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc21 8959661 ZRLPYQLCDXEIBU-UHFFFAOYSA-N 420.431 5.119 0 40 HKAB CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccco1 9833499 NOSYWGHCFCAPCC-LJQANCHMSA-N 422.485 5.169 0 40 HKAB CC(=O)N1c2ccccc2N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1 10013806 RDWLYJYOGVCERH-QHCPKHFHSA-N 419.322 6.068 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@@H]3c2ccncc2)cc1 10215716 OQSFXQXBUVFXKX-WIOPSUGQSA-N 415.493 5.121 0 40 HKAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NCCOc1ccc2ccccc2c1 10310526 VFSNURNSMDSYFH-UHFFFAOYSA-N 420.896 5.276 0 40 HKAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 10993809 DNZHUWROKPBDMA-UHFFFAOYSA-N 423.394 5.352 0 40 HKAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 12342279 XOEUPCUTOIYSNG-UHFFFAOYSA-N 424.287 5.253 0 40 HKAB C[C@@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)NCCC1=CCCCC1 12768446 XNZHSPJRPHCSOS-MRXNPFEDSA-N 423.607 5.846 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 12890142 WZEMAOGDJKAGCX-VULIGXMUSA-N 413.481 5.083 0 40 HKAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OCCC(C)C)cc1 13634719 YIXHSDZKKFFMQK-QHCPKHFHSA-N 419.525 5.313 0 40 HKAB O=C(CSCc1ccccc1Cl)NCCSCc1c(F)cccc1Cl 15225857 SJXGVDYNBXARML-UHFFFAOYSA-N 418.386 5.415 0 40 HKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)Cc4ccc(Cl)cc4)c3)oc2c1 17088768 BOEGKLVHVMZSGY-UHFFFAOYSA-N 411.288 6.291 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1 20049759 OIGIDCYWYZHFFZ-HSZRJFAPSA-N 405.494 5.593 0 40 HKAB O=C(Nc1cccnc1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20746014 XWCNOMMDSXKHJL-QHCPKHFHSA-N 411.505 5.167 0 40 HKAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 21124428 NMMCZDZWRSQLKM-UHFFFAOYSA-N 418.276 6.071 0 40 HKAB Fc1cc(-c2cc(-c3ccccc3F)c3cc(Cl)ccc3n2)c(Cl)cc1Cl 21225090 GSFRVHDGPBLQMU-UHFFFAOYSA-N 420.673 7.807 0 40 HKAB O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccnn1C1CCCC1 21331971 ZFINJBVWBFRGEV-UHFFFAOYSA-N 421.341 5.053 0 40 HKAB Cc1nc(CSc2ccccc2C(=O)OCc2nc(-c3ccccc3)no2)cs1 22356930 NBBMWGIVWGIOKT-UHFFFAOYSA-N 423.519 5.151 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)sc2ccccc12 28294821 CCOUFHINAZVWCE-ABAIWWIYSA-N 412.338 5.608 0 40 HKAB Cc1ccc(C)c(-n2c(Sc3nnc(C)c4ccccc34)nc3ccccc3c2=O)c1 32907708 AKFHSIBDTOQTLN-UHFFFAOYSA-N 424.529 5.405 0 40 HKAB Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc(F)cc3)n2)cc1 33012880 UFYIPDCLSYWDED-UHFFFAOYSA-N 403.413 5.015 0 40 HKAB O=C(Nc1ccccc1Cl)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 35339471 HSGMHJVZAWQQHT-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB COc1ccc(Cl)cc1Nc1c(C(=O)N2CCCCC2)cnc2ccc(F)cc12 35478588 BUKQADZSFGRHDJ-UHFFFAOYSA-N 413.880 5.406 0 40 HKAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 44912840 QMWXSOSOKCEUMB-MAUKXSAKSA-N 403.353 5.183 0 40 HKAB COc1cccc(-c2nc(CNc3cc(OC)ccc3Br)cs2)c1 60336720 SWDLLSHHIQTPCR-UHFFFAOYSA-N 405.317 5.202 0 40 HKAB CCc1nc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)cs1 63499939 GPYNIKKFOBJMHH-GOSISDBHSA-N 403.429 5.495 0 40 HKAB O=c1c2ccccc2nc(SCc2ccc(F)cc2Cl)n1CCc1ccccc1 67259311 KINOTEWOEAVEAJ-UHFFFAOYSA-N 424.928 5.724 0 40 HKAB C[C@H]1C[C@H](c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 71787240 LRIHIWBTHWOYBB-HHAUIOSTSA-N 402.581 8.161 0 40 HKAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 72214705 GWWJUKROMPTCCU-JOCHJYFZSA-N 409.574 5.960 0 40 HKAB O=C(c1ccccc1)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 72359336 VRICZWFWRMIYCP-UHFFFAOYSA-N 411.427 5.182 0 40 HKAB CCOCCCNC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 100406755 AVXULQZSPUSULE-SZLSCVSRSA-N 404.554 5.140 0 40 HKAB C[C@@]12CN(Cc3ccccc3)C[C@](C)(CN(Cc3cccc(Br)c3)C1)C2 100500631 DZPHUFWAKUVOBO-DHIUTWEWSA-N 413.403 5.183 0 40 HKAB COC(=O)c1cccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)c1 100845978 SXHOEMCLSGYCKF-JKRLWXMKSA-N 403.522 5.258 0 40 HKAB CC1(C)CC2=Nc3nc(SCc4ccccc4)nn3[C@H](c3cccnc3)C2=C(O)C1 102679078 PRLQMMXCFVIUTF-HXUWFJFHSA-N 417.538 5.273 0 40 HKAB COc1ccc(OC)c([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)c1 102875836 RRWIWYBIFCICPE-XMMPIXPASA-N 420.509 5.516 0 40 HKAB CCCn1c(-c2ccc3c(c2)OCCO3)cs/c1=N/c1ccc(Cl)c(Cl)c1 102962802 JONSRCISGAFSFL-BSYVCWPDSA-N 421.349 5.937 0 40 HKAB CCCC[Sn](CCCC)(CCCC)c1cccc2[nH]ccc12 169835183 KVEWWBCCRQUNMU-UHFFFAOYSA-N 406.202 6.224 0 40 HKAB Cc1nc(-c2ccc(Cl)cc2)n(-c2ccc(NC(=O)c3ccncc3)cc2)c1C 199430844 BVGODOFTSJXUAM-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1ccc3ccccc3c1)CC(C)(C)O2 219030805 KLSPSEFJEGRBCE-ZHRRBRCNSA-N 405.494 5.034 0 40 HKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1Cc1ccccc1 222611108 XUEQYDRPRPVQGM-JJEOQYAHSA-N 402.567 5.138 0 40 HKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 222989432 LCZYCHSYKVKHCX-QHCPKHFHSA-N 408.542 5.116 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2ccc(C)cc2)c1 224128877 GGGYTSIZAYYCSW-UHFFFAOYSA-N 403.522 5.960 0 40 HKAB COc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccc(C(C)(C)C)cc1 224179684 RGFASZNGWKHYEQ-UHFFFAOYSA-N 417.549 6.441 0 40 HKAB Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 224180375 VHXKNTVKPTXGDP-DHIUTWEWSA-N 415.493 5.658 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1cc(C)cc(C)c1C 224608988 ASPZRCATVDZBGD-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc(C)c1Br 224961234 WJZMMLQGTCTEIX-UHFFFAOYSA-N 417.347 5.074 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)cc1Cl 225660927 DVBZPNYIMFIONU-HNNXBMFYSA-N 418.990 5.560 0 40 HKAB Cc1ccc([C@H](NC(=S)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)c(C)c1 225768427 WQLVBJWMHZPDQK-OAQYLSRUSA-N 414.496 6.398 0 40 HKAB CCc1cccc(CC)c1NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225805680 WLGCNEURYSVFBK-UHFFFAOYSA-N 417.431 5.452 0 40 HKAB COc1ccc(CCNC(=S)c2cccc(OCc3ccccc3Cl)c2)cc1 408571673 CGWROEYKKXCZLP-UHFFFAOYSA-N 411.954 5.435 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1ccc(O[C@@H](C)C(=O)OCc2ccccc2)cc1 953525 KFXIDYJKKBOZIJ-KRWDZBQOSA-N 423.896 5.411 0 40 HKAB COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)NC4CC4)c(N)c23)cc1 1056459 JEKBGFZDFWSYKI-UHFFFAOYSA-N 415.518 5.113 0 40 HKAB COc1cccc(-c2noc([C@H]3CCCN(C(=O)Nc4ccc(C(C)C)cc4)C3)n2)c1 1360336 WIALGBORWSPMPS-IBGZPJMESA-N 420.513 5.280 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1CCc1ccccc1 1800451 RQFXSHXSZGJUGK-UHFFFAOYSA-N 407.513 6.303 0 40 HKAB CCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 2052097 BUCUBMBLZHKRIP-UHFFFAOYSA-N 422.337 5.805 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2ccccc2)cc1 2195786 PRIFFIWBXDADGZ-UHFFFAOYSA-N 414.505 5.321 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2CC)cc1 2362728 YJGXMDBVTJJIIJ-HNNXBMFYSA-N 412.534 5.348 0 40 HKAB COc1ccccc1[C@H](Nc1ccc(Br)cc1)c1c(C)[nH]c2ccccc12 2546237 CCKBKUKXINLHPO-QHCPKHFHSA-N 421.338 6.449 0 40 HKAB CCCCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(Cl)cc1 2706414 UQYBWKCYZLPGEQ-UHFFFAOYSA-N 420.007 5.512 0 40 HKAB Clc1cccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)n2ncnc2N3)c1 2707254 RPZQBPAOSZMSFU-LEWJYISDSA-N 418.909 5.553 0 40 HKAB COc1cccc(NC(=O)CSc2nc(NC3CCCCC3)c3ccccc3n2)c1 2948720 WAYCAXZVRKMITJ-UHFFFAOYSA-N 422.554 5.114 0 40 HKAB O=C(Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1)c1ccccc1 3181427 ZVCWZFZAUGZHKU-UHFFFAOYSA-N 408.284 7.191 0 40 HKAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2cccc(Cl)c2Cl)c1Cl 3239089 QDTMDPLJBHUNMU-UHFFFAOYSA-N 407.080 5.404 0 40 HKAB O=C(CSc1nc2cc(Cl)ccc2o1)Nc1c(Cl)cc(Cl)cc1Cl 3269232 MZMLJLHJJHCDGC-UHFFFAOYSA-N 422.120 6.172 0 40 HKAB Cc1ccc(NCC(=O)c2ccc(-n3nncc3-c3ccc(Cl)cc3)cc2)cc1 3277596 ZIOXBUMDKKDENP-UHFFFAOYSA-N 402.885 5.191 0 40 HKAB Oc1ccc2c(c1)OC[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1 4392873 FEVZKAOFFCUDLI-XNMGPUDCSA-N 415.533 5.175 0 40 HKAB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1c2c(nc3ccccc13)CCC2 4438441 CRILVUHALZGQCT-UHFFFAOYSA-N 415.320 5.828 0 40 HKAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2CSc2nc(C)cs2)cc1 4798148 WABJYWNAYGNTFM-INIZCTEOSA-N 411.548 5.480 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(C2CC2)n1-c1ccccc1 4890245 PYCYVJHOXITTFM-HNNXBMFYSA-N 402.523 5.298 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cc2ccccc2[nH]1)c1ccccc1 5036999 ZKKLMXAEYHPZOK-QHCPKHFHSA-N 414.461 5.022 0 40 HKAB CNC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCCC2 5055790 WXZKVMMRSZROPZ-UHFFFAOYSA-N 418.971 5.497 0 40 HKAB Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)n(CC(C)C)c1C 5152047 XXZAGMYHJMLCLD-IBGZPJMESA-N 407.583 5.942 0 40 HKAB c1ccc(NCc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 5249841 KIBHQYJBTZIBEF-MUUNZHRXSA-N 403.529 6.654 0 40 HKAB Fc1ccc(COc2ccc(Br)cc2C(=S)N2CCCCC2)cc1 5863077 ZQYSOSDWGKOAOI-UHFFFAOYSA-N 408.336 5.329 0 40 HKAB COc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1 6204523 OAKGMDSGZMEBIG-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc4ccccc4c3)cc2)CC1 6515729 NKPCLLXJTDLHOB-UHFFFAOYSA-N 403.551 5.203 0 40 HKAB COCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccc(Cl)cc1 6665121 KFAKOXFEDYHKIU-UHFFFAOYSA-N 422.916 5.200 0 40 HKAB CCOc1ccc(NC(=O)CSC2=NC3(CCCCCC3)Nc3ccccc32)cc1 6901985 XYEYBIDFQSGNAL-UHFFFAOYSA-N 423.582 5.680 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(NC3CC3)s2)c2ccccc2)c1 7990890 ZYHGGWHZHMLNGQ-SFHVURJKSA-N 410.568 5.201 0 40 HKAB Clc1ccc(-n2c(SCc3ccc4c(c3)OCO4)nnc2-c2ccncc2)cc1 8710370 PBKVXRRIVLRSTO-UHFFFAOYSA-N 422.897 5.004 0 40 HKAB O=C(Nc1nc2ccc(Br)cc2s1)c1cnc(Cl)c(Cl)c1 9449207 ZADKFSMVOIJGJM-UHFFFAOYSA-N 403.088 5.013 0 40 HKAB Cc1ccc(-c2nnc(CCC(=O)Nc3cccc(-c4csc(C)n4)c3)o2)cc1 9643286 MUTZOHHKZWTQEK-UHFFFAOYSA-N 404.495 5.048 0 40 HKAB Cc1cccc(-c2c(C(=O)N3CCOCC3)c(C)nc3sc4c(c23)CC[C@H](C)C4)c1 12772175 YMHGVUVOPONEEK-INIZCTEOSA-N 420.578 5.177 0 40 HKAB COC(=O)c1c(C)[nH]c(C(=O)CN[C@H](c2ccc(C3CCCCC3)cc2)C(C)C)c1C 13004700 IWKIMXQEKZNVNJ-DEOSSOPVSA-N 424.585 5.635 0 40 HKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)cc1 13063102 GBUXDOBAVDJTRN-LJQANCHMSA-N 415.924 5.567 0 40 HKAB COc1ccc(NC(=O)c2sc3nc(-c4ccccc4)nc(C)c3c2C)c(OC)c1 13693712 YIRWVPQWSAZCQQ-UHFFFAOYSA-N 419.506 5.245 0 40 HKAB C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@@H]2Nc2cccc(C(F)(F)F)c2)[C@@H]1C 13943267 VLHAVWYOZFHRAG-SORVUCRQSA-N 406.492 5.981 0 40 HKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 14397697 URYUYBPNYIIMRZ-KRWDZBQOSA-N 423.940 6.836 0 40 HKAB O=C1C[C@@H](c2ccc(F)cc2F)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15081846 HBQYIJFTCRWWCL-ZDUSSCGKSA-N 403.381 5.005 0 40 HKAB COc1ccc([C@@H]2Nc3ccccc3C(c3ccc(C)cc3)(c3ccc(C)cc3)O2)cc1 16292146 XOUOAAVDDYHQJT-MUUNZHRXSA-N 421.540 6.745 0 40 HKAB S=C(/C(=C/N1CCOCC1)c1ccccc1)N(c1ccccc1)c1ccccc1 16450705 YFSRCWVWSNKSEK-HIXSDJFHSA-N 400.547 5.525 0 40 HKAB O=C(Cc1ccc(Br)cc1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20137204 YBQQMSTZKOZPBK-UHFFFAOYSA-N 420.690 5.036 0 40 HKAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)CC1 20456310 RSEZEBWLUMFNDR-UHFFFAOYSA-N 410.867 5.843 0 40 HKAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2cc(Cl)c3c(c2)OCCO3)o1 23177974 WMNCJWHNANZDRR-NSHDSACASA-N 422.865 5.066 0 40 HKAB Cc1cc(C)c2nc(NC(=O)COc3c(C)cc(Br)cc3C)sc2c1 28284401 MWONQYYBGCQQKM-UHFFFAOYSA-N 419.344 5.310 0 40 HKAB COc1ccc(CNCc2ccc(Cl)cc2Cl)cc1OCc1cccnc1 30543973 PJIDWBVWHUVZCY-UHFFFAOYSA-N 403.309 5.266 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4cnccc4o3)c(O)c2)cc1 32072284 IIUSVQMRFFHBSO-UHFFFAOYSA-N 403.438 5.027 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)ccc1OCc1ccccc1Cl 33317657 TYLCUCYQELQTJC-XDHOZWIPSA-N 417.914 5.374 0 40 HKAB O=C(Nc1cccc2ccccc12)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 33889247 TZTZSZHTXVSREU-ZNDGRNAPSA-N 401.554 5.267 0 40 HKAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 40061884 ISHKMTHVAYFCHR-RTBURBONSA-N 401.535 5.186 0 40 HKAB COc1cc(-c2nc3ccccc3[nH]2)cc(Br)c1OCc1cccc(C)c1 41005076 YWNUUVMXNLNJAA-UHFFFAOYSA-N 423.310 5.888 0 40 HKAB COc1ccc(CN2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2ccccc2F)cc1 45941484 HHBQHIUMRBVPTI-HSZRJFAPSA-N 403.453 5.196 0 40 HKAB CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72214646 LDEIWGAYUVFAHM-KRWDZBQOSA-N 405.539 5.305 0 40 HKAB c1cc2c(cc1Cc1nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s1)CCCC2 72333563 WEVARZQRVMNNBC-UHFFFAOYSA-N 404.583 5.123 0 40 HKAB O=C(CCc1cccc(Cl)c1)N1CCC[C@H]1c1cccc(Nc2ccc(F)cn2)n1 72375628 KYAHVRBJGQPFBE-FQEVSTJZSA-N 424.907 5.309 0 40 HKAB Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)Nc1cccc(C(F)(F)F)c1 89729951 DPSGJXIRWOCCQB-KRWDZBQOSA-N 402.420 5.060 0 40 HKAB Cc1ccc(-c2nc(S(=O)(=O)Nc3ccccc3)c(-c3ccccc3)s2)cc1 94992807 GXSFVUMIWSRWPY-UHFFFAOYSA-N 406.532 5.586 0 40 HKAB Cc1cc2oc(=O)cc(-c3cc4c(CN5CCCCC5)cnc(C)c4o3)c2cc1C 95480809 VQLLGYFPSUBQDF-UHFFFAOYSA-N 402.494 5.512 0 40 HKAB C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 106672055 YRHOVLVBPQGPQJ-SXKCCIOGSA-N 419.956 5.747 0 40 HKAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OC(C)C 106686782 XTLRSEGLIADNSJ-ODLFYWEKSA-N 417.914 5.372 0 40 HKAB CCCCCCOc1cc(OCCCCCC)c([N+]#N)c(OCCCCCC)c1 113104215 TXQVCXQOOFNDDI-UHFFFAOYSA-N 405.603 8.048 0 40 HKAB C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4C[C@H](O)[C@]3(C)[C@H]1[C@@H]2C 123214795 ZOOSXBKBOJXIDR-AVJLHDABSA-N 416.646 5.794 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSc1ccc(Cl)cc1 216276821 DVTWVNCHWWJGGI-KRWDZBQOSA-N 400.396 5.773 0 40 HKAB CCc1ccccc1O[C@H](C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 216459861 DXYDBEQPIKHCQW-GOSISDBHSA-N 407.485 5.051 0 40 HKAB COc1ccc(CCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1C 223924274 IJJSPIATVZABBC-UHFFFAOYSA-N 412.382 5.293 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2)c1 224194805 JGHIALUEJYFOOV-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB COc1cccc(OCc2cc(C(=O)Nc3cccc4ccccc34)ccc2OC)c1 224252214 CWVIGJHFBOLNKV-UHFFFAOYSA-N 413.473 5.688 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(OCc2ccccc2Cl)cc1 224961551 QOQQNLXWGYVNOI-UHFFFAOYSA-N 420.940 6.162 0 40 HKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225734848 DNYVPEBEPBJWLP-DEOSSOPVSA-N 404.595 5.111 0 40 HKAB COc1cc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3cccc(Cl)c3)O2)ccc1F 257317744 VKYCMYAHOKQLPG-XJUOHMSHSA-N 419.924 5.611 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H]([C@@]5(C)CCC(=O)O5)[C@@]4(C)CC[C@H]32)C1 257373177 ZSUHSKYVVTXINZ-DQDZBENBSA-N 414.586 5.593 0 40 HKAB CCCOc1ccc(/C=C/C(=O)Nc2cccc(Br)c2)cc1OCC 408565832 AYIPCSPMXPSFSA-PKNBQFBNSA-N 404.304 5.289 0 40 HKAB S=C(NCc1ccc2c(c1)OCO2)c1ccc(OCc2ccccc2Cl)cc1 408575266 NNTGYMDULRPSKT-UHFFFAOYSA-N 411.910 5.113 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)c1C 408642263 MOGQFBZKVCCGBJ-SFHVURJKSA-N 418.468 5.226 0 40 HKAB Nc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 408672915 PFRLKCKVPLNAEF-UHFFFAOYSA-N 423.472 5.566 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2cccc(C)c2)cc1 408699666 YLKNNFBZQNKABU-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(C)c(C)c2)c1 408699937 XMXNDWGHPHEFNA-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCOC(=O)c1ccccc1NC(=O)c1ccc(CSCc2ccccc2)cc1 408786122 MNFOBANKDIFLRJ-UHFFFAOYSA-N 405.519 5.549 0 40 HKAB COc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1cccc2ccccc12 409116158 KYXUOGQGXZLLJF-UHFFFAOYSA-N 417.936 7.001 0 40 HKAB COc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Br)c1OC 409120603 RCFAQDLBJNLNOZ-UHFFFAOYSA-N 414.299 5.871 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@H](c2ccccc2)N3)cc1C 409131716 JQWRPMXXUZANHG-BUFOOBCNSA-N 422.572 6.852 0 40 HKAB Cc1ccc(N2C(=O)S/C(=C\c3c[nH]c4ccc(Br)cc34)C2=O)cc1 409138269 ZGJGDBUOAWNXLY-IUXPMGMMSA-N 413.296 5.480 0 40 HKAB Cc1ccccc1OCc1nn(CC(=O)Nc2cc(Cl)ccc2Cl)c(=S)o1 409169833 SCMJLEPQBOAQSP-UHFFFAOYSA-N 424.309 5.039 0 40 HKAB Cc1ccc(CNC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@@H](c2ccccc2)N3)cc1 409171566 DRGXBSZDVSNYEH-WTBBXUJBSA-N 422.572 6.222 0 40 HKAB CCCN1C(=O)N/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)C1=O 409232507 QJHAKTKMANVOAH-KGENOOAVSA-N 420.896 5.375 0 40 HKAB CSCC[C@H](NC(=O)CC1(Cn2cccc2)CCCCC1)c1nc2ccccc2[nH]1 526052514 KTMFYZORWUCUDO-NRFANRHFSA-N 424.614 5.316 0 40 HKAB CC(C)(C)CC(=O)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 643550356 CRLZDTHFSVFSBB-INIZCTEOSA-N 410.949 5.192 0 40 HKAB Cc1c(Cl)cccc1-n1c(SCC2CCCCC2)nc2c(c1=O)CCCC2 1888982168 FSCIDBRFQOIYCG-UHFFFAOYSA-N 402.991 5.746 0 40 HKAB CCOC(=O)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCC)cc2)cc1 714673 QBYDTHQAHZGWEC-HSZRJFAPSA-N 416.477 5.033 0 40 HKAB Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc3c(c(-c4ccco4)c12)CCCC3 715949 SICKAZXUPAPMBN-UHFFFAOYSA-N 423.925 5.923 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)c(O)c2)cc1 1053127 XPSPLRMKPKUDTF-UHFFFAOYSA-N 402.450 5.143 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c(C)c1 1268022 OLZUPBBDIFEILG-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB Cc1ccc(C)c2c(S[C@H](C)C(=O)NCc3ccco3)nc(-c3ccccc3)nc12 1326136 QUPGYYVWDDAGDV-QGZVFWFLSA-N 417.534 5.304 0 40 HKAB O=C(NCc1cccs1)c1cccnc1Nc1ccc(OCc2ccccc2)cc1 1340855 LAWACBMIDSXVGK-UHFFFAOYSA-N 415.518 5.396 0 40 HKAB COc1ccc(-c2cn(C(=O)c3ccc(F)cc3)nc2-c2ccc(OC)cc2)cc1 1393520 XMHKAXYYZCEGTA-UHFFFAOYSA-N 402.425 5.062 0 40 HKAB CCOc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OCC4CCCCC4)c3C)C2)cc1 1422034 VUAKSLNDISVBGE-IBGZPJMESA-N 409.526 5.372 0 40 HKAB CCCc1ccc(C(=O)N2c3c(C)cccc3[C@@H](Nc3ccccc3C)C[C@@H]2C)cc1 1816164 KFIOUAKHOAUKID-LVXARBLLSA-N 412.577 6.848 0 40 HKAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCC2 1903995 ZRKIFZVLMYZONI-VQHVLOKHSA-N 410.322 5.372 0 40 HKAB CC(C)(C)c1ccc(CSc2nnc(SCc3cccc(Cl)c3)s2)cc1 2171199 DXNJVLRDLSHLLT-UHFFFAOYSA-N 421.056 7.074 0 40 HKAB CC(=O)C1=NN(c2ccc(C)cc2)[C@H](c2c[nH]c3ccccc23)N1C1CCCCC1 2297883 MXKDVRWNBFYCCM-RUZDIDTESA-N 400.526 5.532 0 40 HKAB CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccccc1 2376190 WDPCUABBFTUIEB-FYBSXPHGSA-N 422.509 6.284 0 40 HKAB Cc1nn2c(Nc3cc(Cl)cc(Cl)c3)c3c(nc2c1-c1ccccc1)CCCC3 2443015 DKRGIAPTZKAZOA-UHFFFAOYSA-N 423.347 6.634 0 40 HKAB Clc1cccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)n2ncnc2N3)c1 2707251 RPZQBPAOSZMSFU-NHCUHLMSSA-N 418.909 5.553 0 40 HKAB COc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 2887643 VLFDRAKHPQYJGI-UHFFFAOYSA-N 422.337 5.100 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nc3ccccc3s2)c2ccccc2)c1 3299335 LZGDXJMROCBNHU-OAQYLSRUSA-N 404.560 6.385 0 40 HKAB Cc1cccc(N2CCN(C(=O)CCCSc3ccc(Cl)cc3)CC2)c1C 3358087 NYTSOHLPFYNCJG-UHFFFAOYSA-N 402.991 5.178 0 40 HKAB S=c1sc2c(N3CCCCCC3)nc(-c3ccccc3)nc2n1-c1ccccc1 3627367 XNHXZYDFKKKWQE-UHFFFAOYSA-N 418.591 6.259 0 40 HKAB CSc1nc2ccc3nc(Nc4nc5c(F)cccc5s4)sc3c2s1 4137684 VCNFWWFOMJIKQQ-UHFFFAOYSA-N 404.542 6.120 0 40 HKAB CC(C)=CCC/C(C)=C/CC[C@]1(C)OC(=O)N(C2CC(C)(C)NC(C)(C)C2)[C@@]1(C)O 4199116 SBSQPHKKKSELIR-ZKPSXUTGSA-N 420.638 5.688 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3ncnc(SCC(=O)OC4CCCCC4)c23)C1 4215376 JBGYVIKIZYUUKC-AWEZNQCLSA-N 418.628 5.810 0 40 HKAB Fc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@H](c3ccc(F)cc3)C2)cc1 4360928 SJUSOLHHADSRHT-NRFANRHFSA-N 402.366 6.339 0 40 HKAB CCCn1c(C)cc(C(=O)COC(=O)COc2ccc(Nc3ccccc3)cc2)c1C 4399894 AJOODWDWLMIJES-UHFFFAOYSA-N 420.509 5.063 0 40 HKAB CCCC[C@H](CC)COP(=O)(C[C@@H](CC)CCCC)OC[C@H](CC)CCCC 4410224 GOCVCBDBQYEFQD-HJMQJNHMSA-N 418.643 8.862 0 40 HKAB CCc1ccc2nc(-c3ccc(C)cc3)cc(C(=O)Nc3cccc4ccccc34)c2c1 4610398 ACKCWDFPESPTQV-UHFFFAOYSA-N 416.524 7.178 0 40 HKAB COc1ccc(OC)c([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)c1 4785268 LZDLFTBUTODGAA-HXPMCKFVSA-N 400.544 5.345 0 40 HKAB CCOc1c(Cl)cc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1OC 4838167 JLIGKVVOMCWTGL-UNOMPAQXSA-N 407.853 5.245 0 40 HKAB O=C(CSC1=NC2(CCCCCC2)N=C1c1ccccc1)Nc1ccc(F)cc1 4890811 LYTAAPFLFZZSAC-UHFFFAOYSA-N 409.530 5.449 0 40 HKAB Cc1sc(NC(C)(C)C)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1 5001227 HFPWDNVPEIRIRO-UHFFFAOYSA-N 409.530 5.671 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc3ccccc3c2)cc1 5249542 VHSCDYSMUQXGJY-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB Cc1cc(C)c(C)c(Cn2c(/C=C/c3ccc(Cl)cc3)nc3ccccc32)c1C 5545410 CQYFZRUZRNNPBN-SDNWHVSQSA-N 400.953 7.142 0 40 HKAB CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(OCc4ccccc4)cc3)c2c1 5808843 TWYZERYZOWKTKD-UHFFFAOYSA-N 412.489 6.043 0 40 HKAB CCCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)CCC(=O)O 5952013 VFUBGCNNKLCPEM-UHFFFAOYSA-N 417.527 5.083 0 40 HKAB C[C@@H]1C[C@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 6755170 ALPRRIBTOUMOIX-VGSWGCGISA-N 400.478 5.203 0 40 HKAB Cc1cc2sc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)nc2cc1Cl 6826398 LSTIEPNEGSIFQB-UHFFFAOYSA-N 417.987 5.682 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1 7080108 VNPIXWAHWLREMP-KRWDZBQOSA-N 414.505 6.334 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](Nc1ccc2nc(C)sc2c1)c1ccccc1 7241977 HYGHKJAEHCLYRI-QHCPKHFHSA-N 417.534 5.714 0 40 HKAB O=C(COc1ccccc1-c1ccccc1)N(Cc1cccs1)C[C@H]1CCCO1 8062691 ZQTPTALIOGRKNF-HXUWFJFHSA-N 407.535 5.002 0 40 HKAB Cc1ccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c(C)c1 8071643 BHYDXNUDABKULS-UHFFFAOYSA-N 414.299 5.021 0 40 HKAB O=C(CSc1ccc2ccccc2c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8229902 JAIKYYKDCRGLLM-JOCHJYFZSA-N 419.546 5.457 0 40 HKAB COc1cc(C)c(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1OC 8313379 SHHOKKGCFLMQFV-UHFFFAOYSA-N 420.538 5.379 0 40 HKAB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1ccc(Cl)cc1Cl 9363787 FAOZRLCEZDKHCW-UHFFFAOYSA-N 424.740 5.832 0 40 HKAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 9972241 CHWFTAWSQZNGCK-UHFFFAOYSA-N 421.909 5.178 0 40 HKAB O=C(CSc1ccc2ccccc2c1)N1CCC[C@H]1c1nc2ccccc2s1 12567207 XAGSXXJCJWBMHX-FQEVSTJZSA-N 404.560 5.905 0 40 HKAB O=C1[C@@H]2CCCC[C@H]2[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1Cc1ccccc1 12629838 BAQBVTVZDSFUCF-MRJKTFCFSA-N 420.556 6.725 0 40 HKAB Cc1nc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc(Cl)cc1 12640260 CLWFHWSMCNWIHN-UHFFFAOYSA-N 406.294 5.263 0 40 HKAB CN(Cc1ccccc1N1CCCCC1)C(=O)CSc1nc2ccccc2s1 12682197 CCXWTNMGCZPWTL-UHFFFAOYSA-N 411.596 5.037 0 40 HKAB Clc1cccc(C2=NNC(c3cccs3)=Nc3ccc(Br)cc32)c1 12707608 MMZBCZQJTMOFIG-UHFFFAOYSA-N 416.731 5.598 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1cc2cc(F)ccc2[nH]1 12770852 OGAUJSLUIJLZSG-UHFFFAOYSA-N 424.907 5.094 0 40 HKAB CC(C)Oc1cc(-n2c(S)nc3cc(Cl)ccc3c2=O)c(Cl)cc1Cl 12856520 RUIQRZBEWXZEIW-UHFFFAOYSA-N 415.729 5.422 0 40 HKAB COc1cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc(Cl)c1OC(C)C 12986222 IRQNQHLSHVHAGR-CYBMUJFWSA-N 418.946 5.579 0 40 HKAB Cc1ccc(-c2nn(CN3CCCCCC3)c(=S)n2-c2ccccc2C(C)C)cc1 13074060 PXIKFTNTBONIFT-UHFFFAOYSA-N 420.626 6.336 0 40 HKAB O=C(Nc1ccc(Br)cc1F)c1ccccc1OCc1ccccc1 13687308 UGOIMCQWHRSWHG-UHFFFAOYSA-N 400.247 5.420 0 40 HKAB CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 17090214 AGLZHYCTOBRSLD-VQHVLOKHSA-N 415.276 5.864 0 40 HKAB O=C(NCc1ccccc1CN1CCCC1)c1ccccc1SCc1cccs1 21962456 WPARADCULNGIDV-UHFFFAOYSA-N 422.619 5.566 0 40 HKAB N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1ccccc1Cl 22748003 SJKQGYJBJCXADJ-LDADJPATSA-N 406.844 5.604 0 40 HKAB Clc1ccc(-c2nc(CNC[C@@H](c3cccs3)N3CCCC3)cs2)cc1 23257861 RCZIKTKMVRZOCE-SFHVURJKSA-N 404.004 5.452 0 40 HKAB CC[C@H](NC(=O)c1ccc(OC)c(OCc2ccncc2)c1)c1ccc(Cl)cc1 24745809 SCCZPGDENRZZNH-FQEVSTJZSA-N 410.901 5.204 0 40 HKAB O=C(/C=C/c1cccc(Cl)c1)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 24830215 UNRMWZGYLOJLCR-DHZHZOJOSA-N 410.880 5.116 0 40 HKAB C=CCn1cc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N=C2O)c2ccccc21 33828580 MOEPQRALOFOIPV-XSFVSMFZSA-N 415.518 5.061 0 40 HKAB Cc1cc(O[C@H](C)C(=O)NCc2ccc(CN3CCCCC3)cc2)cc(C)c1Cl 44874714 ZHVRRCKQOXECDC-LJQANCHMSA-N 414.977 5.026 0 40 HKAB CC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccc(OCc2ccccc2)cc1 49947093 OQAUSRZJJRPONG-UHFFFAOYSA-N 409.595 6.278 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)c1cc(-c2ccc(Br)cc2)[nH]n1 57477012 FNZNMQZNCCHGHZ-UHFFFAOYSA-N 411.086 5.398 0 40 HKAB CC[C@@H](C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C(=O)OC)cc2)cc1 59498097 WBWRSQCPYIADMX-MZNJEOGPSA-N 414.505 5.758 0 40 HKAB COc1ccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc1Cl 64472463 MPNXRNXPTSRCPR-UHFFFAOYSA-N 408.910 6.120 0 40 HKAB COc1cc(C)ccc1Oc1ccc(NC(=O)c2c(Cl)c3ccccc3n2C)cn1 89623580 VLUIVGXJNXMDHK-UHFFFAOYSA-N 421.884 5.588 0 40 HKAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1cccc2c1ccn2CCC(C)C 96118705 RIORGRNZONDLLK-UHFFFAOYSA-N 416.525 5.239 0 40 HKAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5nc6c(s5)CCCC6)(C4)C2)C3)cc1 101561165 ZZESZSDYUHAYJG-IMWZJCIKSA-N 422.594 5.507 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccccc1C(C)C 224228452 FWPDGGSAYOQUPB-UHFFFAOYSA-N 417.549 6.773 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccccc1Cl 224484561 WWBHNUMGRGIBJS-UHFFFAOYSA-N 413.876 5.387 0 40 HKAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccc(Cl)c(C)c1 224546483 XHFVTMIQFWJYDS-UHFFFAOYSA-N 401.934 5.498 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)NCc1cccc(CN2CCCC2)c1 224635501 GQTQWCZPZBMFQU-UHFFFAOYSA-N 402.991 5.125 0 40 HKAB O=C(NCc1ccccc1Cl)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224958476 ZIVVQKIMMGDRTL-UHFFFAOYSA-N 423.299 6.245 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225108391 SPOQUOKOMDMPSC-IBGZPJMESA-N 406.507 5.032 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C(=O)OC 225759760 VECLNONSMSYCNJ-IBGZPJMESA-N 423.553 5.800 0 40 HKAB COCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C(F)(F)F 225955071 JOUHIEHXFXCEHL-UHFFFAOYSA-N 407.432 5.181 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@H]3c2ccsc2)cc1 248379628 NLEDJEWAOGNQHZ-URXFXBBRSA-N 420.534 5.788 0 40 HKAB O=C(COc1ccc(CNc2cccc(Cl)c2)cc1Cl)Nc1ccccc1F 408555602 HJIOIFAFANZNFJ-UHFFFAOYSA-N 419.283 5.762 0 40 HKAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(NC(C)=O)cc1 408638574 SEQKZTHEQOYRKE-UHFFFAOYSA-N 421.353 5.523 0 40 HKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 408679525 NIHLHTIXQXUVRP-UXHICEINSA-N 416.521 5.200 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2cccc(C)c2)c1 408693672 BQROAUOQSODDNY-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(Cl)cc2)cc1 408694022 HIYFDGBHUYJYBM-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB O=C1Nc2ccccc2S/C1=C\c1c(OCc2ccccc2)ccc2ccccc12 409098340 PWJFBUXHXGYUNR-XYGWBWBKSA-N 409.510 6.504 0 40 HKAB Cc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1C 409107176 QRARXJUJBYIGEN-UHFFFAOYSA-N 419.981 6.539 0 40 HKAB CCOc1ccc(-c2nc(NC(=O)CCC(=O)c3cc(C)ccc3C)sc2C)cc1 409204734 IYJACIQPGKZHSJ-UHFFFAOYSA-N 422.550 5.736 0 40 HKAB COc1ccc(OC(C)C)c(-c2ccc(C(=O)O)c(Cc3ccc(Cl)cc3)n2)c1 585265765 QYYPBDMRGOKNRI-UHFFFAOYSA-N 411.885 5.487 0 40 HKAB CC(C)=CCC[C@]1(C)Oc2cc(-c3ccccc3C(=O)O)ccc2[C@@H]2OCCC[C@H]21 585265961 ZSSWRLQHKPXSOC-CWDLOFLHSA-N 406.522 6.417 0 40 HKAB Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 585293186 RVJDNPCKCGFJQZ-CHHLAKQQSA-N 412.537 5.256 0 40 HKAB O=C(c1cc2cccc(F)c2[nH]1)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 2037846381 OTXOJYSGDMSYBL-HXUWFJFHSA-N 407.420 5.002 0 40 HKAB CC[C@H]1CCc2nc3sc(C(=O)c4ccc(Br)cc4)c(N)c3cc2C1 661975 SOZKNVCNYFZFIR-NSHDSACASA-N 415.356 5.387 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 678024 PFJOEXZIYLVBSB-UHFFFAOYSA-N 402.475 5.415 0 40 HKAB CCCSc1ccccc1NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N 2118383 YQMKHNUNNAQUSG-UHFFFAOYSA-N 420.563 5.695 0 40 HKAB O=C(Oc1ccc(Br)c2ccccc12)C(c1ccccc1)c1ccccc1 2134656 ROVJTMLJWIRGPX-UHFFFAOYSA-N 417.302 6.340 0 40 HKAB Cc1ccc(C)c(Cn2c(CCCNC(=O)c3cccs3)nc3ccccc32)c1 2721526 UFSPHAYAFCGJRC-UHFFFAOYSA-N 403.551 5.126 0 40 HKAB COc1ccccc1NC(=O)Nc1ccc(C)c(NC(=O)Nc2ccccc2OC)c1 3154878 OOJKVRHDQXRIHY-UHFFFAOYSA-N 420.469 5.300 0 40 HKAB Cc1ccc(NC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1 3205173 UIODLUKTRRMRAR-UHFFFAOYSA-N 422.325 5.521 0 40 HKAB Cc1ccc(NC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c(Cl)c1 3216293 IUDGYIDTYZMWJL-UHFFFAOYSA-N 407.853 5.068 0 40 HKAB CC(C)(C)c1ccc(C(=O)OCCCC(=O)c2ccc(Br)cc2)cc1 3345224 ABBTZNOLQCBQLO-UHFFFAOYSA-N 403.316 5.567 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)COc3cc(C)c(Cl)c(C)c3)ccc21 3642254 AGSNWFLMAFZPAG-UHFFFAOYSA-N 406.913 6.102 0 40 HKAB aggregator C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)Nc1ccccc1-c1ccccc1 4484654 BWBJTFZDMVYRLD-KRWDZBQOSA-N 414.534 5.050 0 40 HKAB Cc1ccc(-n2nc3c(c2-c2cccc(Br)c2)-c2ccccc2CC3)cc1 4568162 HAQBVIHTTSUNAF-UHFFFAOYSA-N 415.334 6.376 0 40 HKAB COc1ccc(OC)c(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)c1 4660178 XPNSWRFBNJJVKR-UHFFFAOYSA-N 410.517 6.463 0 40 HKAB CC1=CC(C)(C)Nc2cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc21 4663681 OXTXRNGEKYIXGZ-UHFFFAOYSA-N 415.580 7.677 0 40 HKAB CCCCCCc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 4672677 STSKXBQUXCIUNH-UHFFFAOYSA-N 403.316 5.612 0 40 HKAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2F)n2c(nc3ccccc32)N1 4767913 QQMUPJYHXXBFSY-QFIPXVFZSA-N 405.473 5.340 0 40 HKAB CCCCc1nc2c(C)c(NC(=O)Nc3ccccc3)cnc2n1Cc1ccccc1 4848154 AMSXKFYSAMETQF-UHFFFAOYSA-N 413.525 5.775 0 40 HKAB Fc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc(-c4ccccc4)cn32)cc1 4863800 AUOUVTHEQQZCBA-HSZRJFAPSA-N 401.872 6.457 0 40 HKAB COc1ccccc1[C@@]1(O)C[C@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@H]1C 5025074 VXHVUKKYMOSWJM-RXTZQXTGSA-N 401.550 5.612 0 40 HKAB O=C(NC1CCCCC1)c1ccc(Oc2ccc(C(=O)NC3CCCCC3)cc2)cc1 5513308 BVJFHXNEPYOMJC-UHFFFAOYSA-N 420.553 5.604 0 40 HKAB CCOc1ccc(-n2c(SCc3ccc(OC)cc3)nc3ccccc3c2=O)cc1 5873953 ZALKSZPVDRKOOB-UHFFFAOYSA-N 418.518 5.085 0 40 HKAB O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 5937571 LXSGJJUZMLCYKE-UHFFFAOYSA-N 402.837 5.536 0 40 HKAB CCc1cccc2c(C(=O)Cn3c(COc4ccc(C)cc4)nc4ccccc43)c[nH]c12 6607434 YNJNINPPXSVUCT-UHFFFAOYSA-N 423.516 5.850 0 40 HKAB COc1ccc(-c2nc(C(=O)N[C@@H](C)c3cc4ccccc4o3)cs2)cc1OC 7116521 JWCXVFXGITVRAX-ZDUSSCGKSA-N 408.479 5.065 0 40 HKAB Cc1cc(-n2c(C)cc(C(=O)CSc3nc(C)c(C)n3C3CCCC3)c2C)no1 7140244 GNMGREJQQDZDKS-UHFFFAOYSA-N 412.559 5.294 0 40 HKAB COc1ccc(-c2nnc([C@H](C)Sc3nnc(C4CC4)n3-c3ccccc3)o2)cc1 7229910 KFPSBWCMQTXGHX-AWEZNQCLSA-N 419.510 5.057 0 40 HKAB CCc1ccc([C@H](N[C@H](C)c2nc3ccccc3c(=O)[nH]2)c2cccc(F)c2)cc1 7285962 TVDVSSMCJNVHMF-MWTRTKDXSA-N 401.485 5.065 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1 7789748 JVPLVYLOAWUAGX-UHFFFAOYSA-N 417.538 5.109 0 40 HKAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 8341719 USEGJOCJJRZYFB-UHFFFAOYSA-N 419.912 5.392 0 40 HKAB CCSc1ccccc1C(=O)NCCSCc1c(Cl)cccc1Cl 8478594 ONYFTGUQFYDQKC-UHFFFAOYSA-N 400.396 5.769 0 40 HKAB CCCC/C=C\[C@@H]1C=C[C@@H](CCCCCCCC(=O)OCC)[C@@H](C(=O)OCC)C1 8616202 MGASPNORXQCYDN-DZWZZLIASA-N 406.607 6.398 0 40 HKAB COc1ccccc1-c1c(-c2ccc(OCc3cccc(Cl)c3)cc2O)n[nH]c1C 8740923 MGWBXDWTLQGBAP-UHFFFAOYSA-N 420.896 5.999 0 40 HKAB Cc1n[nH]c(-c2ccc(OCCN3CCCCC3)cc2O)c1-c1ccc(Cl)cc1 8743824 SXNSSGUTRKALGZ-UHFFFAOYSA-N 411.933 5.276 0 40 HKAB Cc1cc2oc(=O)c(CC(=O)Nc3ccccn3)c(C)c2c2occ(-c3ccccc3)c12 9059480 RYIPLVZMSQJUBX-UHFFFAOYSA-N 424.456 5.399 0 40 HKAB Cc1ccccc1CN1CCC(C(=O)Nc2ccccc2Sc2ccccc2)CC1 9062953 WKNKLMGCARYZLI-UHFFFAOYSA-N 416.590 5.997 0 40 HKAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1sccc1-c1ccccc1 9459900 SKTADSYTWUKVBN-UHFFFAOYSA-N 421.547 5.114 0 40 HKAB C[C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)Nc1ccccc1F 9514895 RBRDFFHSUMTSMG-AWEZNQCLSA-N 424.526 5.254 0 40 HKAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1ncnc2sc(-c3ccccc3)cc12 9634150 BAMSVQIDGOIQIV-CQSZACIVSA-N 423.567 5.255 0 40 HKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(C(F)(F)F)cc1 12482306 JHYPSAJSFBJAIB-UHFFFAOYSA-N 419.230 5.113 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)cc12 12571989 DQFYVQVMIGATCL-VEVIJQCQSA-N 401.963 5.603 0 40 HKAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@H]1CCSc2ccccc21 12756189 VKOLMTJFDQGLJA-KRWDZBQOSA-N 414.527 5.137 0 40 HKAB CC(C)(C)N1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 13844877 QUBYGDKGMLZGFC-DEOSSOPVSA-N 414.936 6.832 0 40 HKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc(Cl)ccc1O 15227889 OTFUFGKDNNYQKZ-FQEVSTJZSA-N 401.245 5.480 0 40 HKAB O=C(Nc1ccccc1N1CCCC1)c1nc(Cl)c(Cl)c(Cl)c1Cl 15356810 FQHPYQYMIJPDNW-UHFFFAOYSA-N 405.112 5.548 0 40 HKAB Cc1cccc(OCC(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3ccccc23)c1C 15835593 QJPDSPRIOPJCFX-XMMPIXPASA-N 404.535 5.473 0 40 HKAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCc2ccccc2)cc1Cl 16741642 KTTFTFCWCUYKKW-LCUIJRPUSA-N 420.965 6.354 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3Br)o2)cc1Cl 17090864 NLQOWQBRXHMDPN-PKNBQFBNSA-N 416.702 6.323 0 40 HKAB CCCC(=O)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 19501394 WLSZDNPZAJYDMB-OAQYLSRUSA-N 419.504 5.275 0 40 HKAB CCCC(=O)N1CCCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19501397 MQCXVABYFFOWCS-NRFANRHFSA-N 419.504 5.275 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 20049472 QYJUDZAPFYDSAV-HNNXBMFYSA-N 408.272 6.522 0 40 HKAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 20411751 UDIPSILFQNXDNX-UHFFFAOYSA-N 416.502 5.781 0 40 HKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)C1 20452861 FCPSOVJQHGQXIX-OAQYLSRUSA-N 414.549 5.750 0 40 HKAB Cc1ccccc1Cn1c2ccccc2c2ncn(Cc3ccccc3Cl)c(=O)c21 21883752 DPINAVMJGSNCGJ-UHFFFAOYSA-N 413.908 5.410 0 40 HKAB Cc1cc(C)c([C@H](C)NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C 22540784 MCZGJHJVGZVWBX-FQEVSTJZSA-N 416.521 5.007 0 40 HKAB C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1cccc(Br)c1 27736045 KXXOFOYRVOWFQH-LLVKDONJSA-N 407.358 5.054 0 40 HKAB Cc1ccc(CN(C)C(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 30755186 CLONUUWPNFQZPH-UHFFFAOYSA-N 404.348 5.092 0 40 HKAB Cc1ccc(C(=O)Nc2c(C)nn(COc3cccc(C(F)(F)F)c3)c2C)s1 32609858 DVODWEFPOYRDII-UHFFFAOYSA-N 409.433 5.177 0 40 HKAB C[C@@H]1CN(C)[C@H](C)c2c1oc1ccc(NC(=O)c3ncoc3-c3cccs3)cc21 34087010 NATIKTRDTUWVJS-CHWSQXEVSA-N 407.495 5.512 0 40 HKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccc(Cl)cc1 41303053 SLKLOBQWGXVOPF-MRXNPFEDSA-N 405.991 5.454 0 40 HKAB CCc1ccccc1NC(=O)CSC1=NC2(CCCCC2)N=C1c1cccs1 46022313 AFHFOYPZNIKSQU-UHFFFAOYSA-N 411.596 5.544 0 40 HKAB O=c1c2ccccc2nc(SCCc2ccccc2)n1Cc1ccc(Cl)cc1 67259561 KZINRKAWCXZQPJ-UHFFFAOYSA-N 406.938 5.433 0 40 HKAB CN(C)c1nc2sc(C(=O)N[C@H](c3ccc(F)cc3)c3cccs3)cc2s1 71817079 DKFWBTMOCWIDJN-MRXNPFEDSA-N 417.556 5.144 0 40 HKAB CCC(CC)NC(=O)c1ccc2onc(-c3coc(-c4ccc(OC)cc4)n3)c2c1 96154290 KKLIMLYDUDVAAO-UHFFFAOYSA-N 405.454 5.077 0 40 HKAB N=c1c2c(ncn1Cc1ccco1)Oc1ccc3ccccc3c1[C@H]2c1ccccc1 100547622 YIGBSQVLQFJCDF-JOCHJYFZSA-N 405.457 5.443 0 40 HKAB COc1ccc([C@]23Oc4ccccc4[C@H](c4ccc(F)cc4)[C@@H]2C3(Cl)Cl)cc1 103110932 PRQMJZPVAVTUSA-FKBYEOEOSA-N 415.291 6.058 0 40 HKAB COc1ccc(/C=C(/C(=O)Nc2ccc3c4c(cccc24)CC3)c2ccccc2)cc1 223429021 OYFNEGHQAQVGFO-XIEYBQDHSA-N 405.497 6.126 0 40 HKAB Cc1cccc(OCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)c1C 223942667 PVJRDCFXGKSATN-UHFFFAOYSA-N 421.562 5.283 0 40 HKAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(CSc3ccc(C)cc3)c2)c1 224338727 CRAJSJLHPJIXOI-UHFFFAOYSA-N 423.534 5.565 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1CSc1ccc(Cl)cc1 224346730 YIUJYAFDHKTYGE-UHFFFAOYSA-N 411.954 6.510 0 40 HKAB Cc1cccc(CN(C(=O)CCc2cccc3ccccc23)[C@H](C)C(=O)NC(C)C)c1 225513608 LUFMHIPLMDLHPB-OAQYLSRUSA-N 416.565 5.023 0 40 HKAB CCN(CC)CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 225544832 HSNSXTVACBCFBR-UHFFFAOYSA-N 412.549 5.387 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC[C@@H](C)C1 225663016 CTUQLVQALNQYIH-PXDATVDWSA-N 416.606 5.111 0 40 HKAB COc1ccc(NC(=O)C(Cc2ccc(C)cc2)(c2ccccc2)c2ccccc2)cn1 225937621 LTELGLUBSVKROK-UHFFFAOYSA-N 422.528 5.566 0 40 HKAB FC(F)(F)c1cc(Oc2ccccc2)nc(NC(=S)NC2CCCCCC2)n1 226011226 CGCNERCUKKVKNW-UHFFFAOYSA-N 410.465 5.297 0 40 HKAB O=C(c1cc(Cl)ccc1Cl)N1c2ccccc2Sc2ccc(Cl)cc21 226363096 ZZMGRGVPGIQBBT-UHFFFAOYSA-N 406.721 7.090 0 40 HKAB Cc1nc2cc(C(=O)N(C)[C@@H](C)c3c(F)cccc3F)ccc2n1-c1ccccc1 328593213 IHSYCFHQIBOUHL-HNNXBMFYSA-N 405.448 5.445 0 40 HKAB Fc1cccc(COc2ccc(Cl)cc2CNc2ccc(Cl)cc2Cl)c1 408613725 ZRURVQOLHMYYRW-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1Sc1ccccc1 408705795 NPDIZHGHJZTZBU-SFHVURJKSA-N 405.563 6.541 0 40 HKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)S2)cc1 408775548 IEAGIKMNWKHWNL-VLOXRPPESA-N 410.926 5.762 0 40 HKAB Cc1ccc(Cl)cc1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 409117603 PJZOTNZOALWRRO-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2)n1 585292327 HFXASWHRIPXIRR-SGWGQVFISA-N 419.554 5.061 0 40 HKAB CC1=CC(C)(C)Oc2c1c(=O)n(-c1ccc(C)cc1)c(=S)n2-c1ccc(C)cc1 646866 SORCJKFZNLZGLA-UHFFFAOYSA-N 404.535 5.549 0 40 HKAB Cc1nc2c(cc1NC(=O)Nc1ccccc1)nc(C)n2Cc1cccc(Cl)c1 1338754 SWWUKKBWXHAGKO-UHFFFAOYSA-N 405.889 5.394 0 40 HKAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)c1sc2ccccc2c1Cl 1768078 ASLRTAWPEPWRHN-UHFFFAOYSA-N 411.954 6.796 0 40 HKAB Cc1ccc(-c2nc(Nc3ccc(C)c(Br)c3)c3ccccc3n2)cc1 1775391 ODUBJKMWZSPHNK-UHFFFAOYSA-N 404.311 6.420 0 40 HKAB COc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)CCCc3ccccc3)c2)cc1 2073551 UAIUYDHONHHJII-UHFFFAOYSA-N 422.912 5.562 0 40 HKAB CCCCN(C)c1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CCC3 2222946 FKHNZKOWRIGEDE-UHFFFAOYSA-N 414.644 5.885 0 40 HKAB CC(=O)Nc1ccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1 2398694 OUXKIVUGVFPMCM-UHFFFAOYSA-N 405.889 5.369 0 40 HKAB CCCCSc1nnc2c(n1)O[C@@H](c1c(F)cccc1Cl)Nc1ccccc1-2 2741815 YTCLPBAOVWGKSK-SFHVURJKSA-N 416.909 5.726 0 40 HKAB Cc1ccc(N[C@H](CC(=O)c2ccc(C)cc2)c2ccc(Br)cc2)cc1 2843362 ZMNYPYFFMIXQTC-JOCHJYFZSA-N 408.339 6.492 0 40 HKAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc(C(C)(C)C)cc1 2889714 WUGFTPMOBYNIOI-UHFFFAOYSA-N 423.534 5.760 0 40 HKAB CCN(C(=O)CSc1ccc(Br)cc1)c1cccc2ccccc12 3263406 NNMZPKAGXSEEFZ-UHFFFAOYSA-N 400.341 5.748 0 40 HKAB CC(=O)Nc1ccc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 3287407 ZGXVCGMSPNYZHC-UHFFFAOYSA-N 402.825 5.048 0 40 HKAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 3448447 ZOEQLEBUEADXSL-UHFFFAOYSA-N 417.383 5.378 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 4109795 LYNXMHYQSQJGGT-UHFFFAOYSA-N 414.880 5.690 0 40 HKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1ccc(F)cc1 4414751 WSNBWKTWGYOIQC-UHFFFAOYSA-N 415.511 5.462 0 40 HKAB CC(=O)c1cccc(/N=c2\scc(-c3ccc(CC(C)C)cc3)n2CC(C)C)c1 4614855 FEMNFWNIXGCRAN-QPLCGJKRSA-N 406.595 6.506 0 40 HKAB CCCCCCOc1cc(/C=C/C(=O)O)c(OCCCCCC)cc1/C=C/C(=O)O 4664681 FSYLXOVPEQUWFN-PHEQNACWSA-N 418.530 5.800 0 40 HKAB COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3nc(-c4ccccc4)cn32)cc1 4863805 JFTILVQNPZNWOL-XMMPIXPASA-N 413.908 6.326 0 40 HKAB CC(C)c1ccc([C@H]2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccccc2)cc1 4933865 MENMSPRRDBOZSF-VWLOTQADSA-N 411.480 6.089 0 40 HKAB CCOc1ccc(NC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1 5146515 GZRCHTKRHVPHEA-UHFFFAOYSA-N 411.914 5.296 0 40 HKAB C[C@@H]1CCCCN1Cc1ccccc1COC(=O)c1ccc(Br)cc1 5187386 HZTXHBKYGFJITQ-MRXNPFEDSA-N 402.332 5.181 0 40 HKAB CC1(C)Cc2nc(-c3ccccc3)nc(SCc3nc4ccccc4[nH]3)c2CO1 5207838 IULDDUCEUQASRU-UHFFFAOYSA-N 402.523 5.164 0 40 HKAB Cc1ccc(-n2ncc3c(SCc4ccc(Br)cc4)ncnc32)cc1 5501292 KUHBVMOPAIVSEZ-UHFFFAOYSA-N 411.328 5.179 0 40 HKAB CCOc1c(Cl)cc(C(=O)Nc2ccccc2OC)cc1OCc1ccccc1 6155250 MJPBUCIWHOVJBI-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB CC(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 6346316 VVALYPMLTVENGU-VCHYOVAHSA-N 414.914 5.138 0 40 HKAB O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(F)cc1 6372854 FDQQZCVZAJJTFR-UHFFFAOYSA-N 402.347 5.349 0 40 HKAB CCCCN(CCCC)C[C@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6397497 VXIRFPQWZYNSIO-FAYCDVIOSA-N 413.646 5.796 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)COc1ncnc2scc(-c3ccccc3)c12 6566317 YRIGUKMODWFUAP-UHFFFAOYSA-N 409.898 5.338 0 40 HKAB Cc1ccc(-n2c(SC[C@H]3COC4(CCCC4)O3)nnc2-c2ccccc2)cc1C 6590214 UUEUBMYQXGTELO-OAQYLSRUSA-N 421.566 5.329 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 6654185 DQPPTSZIGWLAFA-UHFFFAOYSA-N 409.982 7.227 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c(C)c1 6964495 FPZGOUZQIFGHQF-UHFFFAOYSA-N 421.488 5.049 0 40 HKAB C/C(=C\C(=O)Nc1cccc(C(F)(F)F)c1)OP(=O)(OC(C)C)OC(C)C 6996180 IWMPNAHCWLJQJE-UKTHLTGXSA-N 409.341 5.522 0 40 HKAB Cc1occc1-c1nnc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)o1 8323806 ZKDVGWISCUDABF-UHFFFAOYSA-N 413.524 5.141 0 40 HKAB CCCCC[C@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 9355607 IEWCDHIFBFMGQW-BVZFJXPGSA-N 417.553 5.188 0 40 HKAB C[C@@H](NC(=O)c1ccc(I)cc1)c1ccc(C(C)(C)C)cc1 10111798 XINJPQKRFLPEBW-CYBMUJFWSA-N 407.295 5.080 0 40 HKAB COc1ccc(-c2cc(=O)c3cc(NC(=O)c4cc5ccccc5o4)ccc3o2)cc1 12296819 FSDAWCPVBDWVJO-UHFFFAOYSA-N 411.413 5.467 0 40 HKAB biogenic CN(C(=O)C1CCC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1 12326084 UQNIHOYOZXCMCL-UHFFFAOYSA-N 423.582 5.042 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc(-c2csc(C)n2)cc1 12562328 YHATVZCKRCKOPC-GFCCVEGCSA-N 401.919 5.220 0 40 HKAB Cc1cccc(C)c1OCCSc1nnc(-c2ccccc2Br)o1 12698825 QGAANSLWNBVRPG-UHFFFAOYSA-N 405.317 5.287 0 40 HKAB Cc1nnc(CSc2ncnc3cc(-c4ccc(Br)cc4)sc23)o1 12756060 KXDAARICOHZRBB-UHFFFAOYSA-N 419.329 5.105 0 40 HKAB COc1ccc(CC(Cc2ccc(OC)cc2)(c2ccccc2)n2ccnc2C)cc1 13281816 YFWBMPMBSKJSJT-UHFFFAOYSA-N 412.533 5.438 0 40 HKAB CCn1c(Cc2ccc(Cl)cc2)nnc1SCc1c(Cl)cccc1Cl 14091972 KDNMAGNRGTXERB-UHFFFAOYSA-N 412.773 6.141 0 40 HKAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(F)c(F)c3F)c12 14204704 MAYUKZVLKAZNFO-UHFFFAOYSA-N 401.319 5.007 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(C(C)(C)C)cc1Br 14649644 WZWOOUPTMQGSKL-UHFFFAOYSA-N 410.739 5.726 0 40 HKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)NCc1ccco1 17092608 XIXLPEABBFESHR-GQCTYLIASA-N 421.305 5.051 0 40 HKAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 20412223 JWWIIBTWISWHNC-UHFFFAOYSA-N 424.566 5.426 0 40 HKAB CSc1cccc(NC(=O)[C@H]2CC(O)=Nc3cc(-c4ccc(Cl)cc4)nn32)c1 20733099 GLTPNFVBWDDELM-QGZVFWFLSA-N 412.902 5.097 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1Sc1ccccc1 22534079 HILGGWWDSVAUIK-FQEVSTJZSA-N 413.995 7.001 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)cc1 23224430 IEVKCOBPSOKNDF-UHFFFAOYSA-N 424.504 5.118 0 40 HKAB Fc1ccc([C@@H]2C(CN3CCOCC3)=C(c3cccs3)Oc3ccccc32)cc1 25178212 UVKUZTAQONESKM-QHCPKHFHSA-N 407.510 5.155 0 40 HKAB COc1ccc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)c(OC)c1 26677036 ONIAPYNIRUMVDQ-UHFFFAOYSA-N 403.434 5.281 0 40 HKAB C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(C(F)(F)F)c1 26684993 PHRQHDLPYIXKEX-ZDUSSCGKSA-N 422.834 5.824 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)N(Cc3ccc(Cl)cc3)c3ccccn3)oc2c1 28287790 VAZYDPHRYPDONE-UHFFFAOYSA-N 404.897 6.253 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1SCC(F)(F)F 36660959 WBZQRLBRAHAEOC-GOSISDBHSA-N 420.456 5.244 0 40 HKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)c(Cl)c1 38772225 HTUMTNFWKPLSQI-OAHLLOKOSA-N 403.103 5.552 0 40 HKAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cc(C(F)(F)F)ccc1Cl 41019224 PEZQKHBLRYWLBG-UHFFFAOYSA-N 412.770 5.724 0 40 HKAB FC(F)Oc1ccc(-n2c(-c3ccccc3)cnc2SCc2ccccc2)cc1 44088110 LBGFJGVSKZTIEQ-UHFFFAOYSA-N 408.473 6.433 0 40 HKAB Cc1nc(C(C)(C)C)nc2sc(C(=O)Nc3nc(-c4ccccc4)ns3)c(C)c12 58381688 NZZUOFOGGUHHMH-UHFFFAOYSA-N 423.567 5.376 0 40 HKAB Cc1c(Br)c2ccccc2n1CC(=O)N1CCC[C@H]1c1ccsc1 58406651 IIWUHJCRKNXDNZ-INIZCTEOSA-N 403.345 5.137 0 40 HKAB Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)c1 67259565 FKJRGGYUEGTNMM-UHFFFAOYSA-N 420.965 6.007 0 40 HKAB O=C(CSc1ccc(F)cc1)NCc1cc(-c2cccs2)n(C2CCCC2)n1 90607072 LIUJLEBXUSXYHN-UHFFFAOYSA-N 415.559 5.274 0 40 HKAB COc1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3onc(C)c32)cc1OC 102724334 CYDWBGIXIUETLR-HXOBKFHXSA-N 416.477 5.608 0 40 HKAB COc1ccc(OC)c([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3onc(C)c32)c1 102729068 FCYXDLYOANEAGA-WAIKUNEKSA-N 416.477 5.608 0 40 HKAB C[C@H](CCc1ccccc1Cl)NC(=O)c1cc(-c2ccn(C)n2)nc2ccccc12 141547054 YKWBHCSJUUVEOJ-MRXNPFEDSA-N 418.928 5.040 0 40 HKAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)cc2)S1 222605149 IRJGNJVUWPYAHQ-SSKFGXFMSA-N 403.576 5.822 0 40 HKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)c(Cl)c3)N21 222665556 AWSZUYBYEFKXKB-CWFSZBLJSA-N 401.963 5.502 0 40 HKAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222759649 ILTXVGZIDVCUBE-ROUUACIJSA-N 404.322 5.251 0 40 HKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)c(C)c1 222889741 HYDLVKXTIPILNW-SFTDATJTSA-N 410.974 5.217 0 40 HKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1c(F)cccc1Cl 222952975 AAGBTGZCBLIWMC-LJQANCHMSA-N 409.954 5.303 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1 224196032 KXYYIEHMXZGZRZ-GOTSBHOMSA-N 402.567 5.320 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1C 224263539 YBQGUVZAPJDATD-ZEQRLZLVSA-N 416.594 5.792 0 40 HKAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccc2ccccc2c1 224316228 MPFJYOJFDUTFCW-UHFFFAOYSA-N 411.501 5.700 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1CSc1ccc(C)cc1 224336963 KCZIVZBROWPANQ-UHFFFAOYSA-N 411.954 6.510 0 40 HKAB Cc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCCC2)cc1 224720381 KSUJPEYYGNCAPS-JOCHJYFZSA-N 420.597 5.102 0 40 HKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)ccc1F 224896350 SFXMQEWMISGUCF-XZOQPEGZSA-N 422.573 5.705 0 40 HKAB Cc1ccc(C(=O)N2CCS/C2=C/c2csc(NCc3ccccc3)n2)cc1 225256739 HXZRYGAPLDOUOM-DEDYPNTBSA-N 407.564 5.251 0 40 HKAB FC(F)(F)c1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)cc1 225302983 LBTSOKGCQYWTTD-UHFFFAOYSA-N 404.910 5.579 0 40 HKAB CCOc1cc(NC(=O)C(c2ccccc2)c2ccccc2)cc2sc(N)nc12 226311620 UXMNDKQXOXXHHL-UHFFFAOYSA-N 403.507 5.048 0 40 HKAB CCOc1cc(C(=S)NCc2ccccc2Cl)ccc1OCc1ccccc1 408575996 PELRXXJIFNRSOA-UHFFFAOYSA-N 411.954 5.783 0 40 HKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3cccc(Cl)c3C)sc2n1 408618266 FJTLBZLPGNKRKA-UHFFFAOYSA-N 418.975 5.228 0 40 HKAB COc1c(C)cccc1C(=O)NC(=S)Nc1cc(Cl)c(Cl)cc1Cl 408625269 XFDZTTKUTSMLKO-UHFFFAOYSA-N 403.718 5.091 0 40 HKAB COc1ccccc1NC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(C)c(C)c2)n1 408697951 KHDPIIXAJUFYTE-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB COc1ccc(CCCc2nnc(SCc3cccc4ccccc34)o2)cc1C 409011086 DNFGMTORLYYJRR-UHFFFAOYSA-N 404.535 6.007 0 40 HKAB O=C1Nc2ccccc2S/C1=C\c1cc(Br)c(N2CCCCC2)o1 409101807 WQPUPQZNFGUBDT-WJDWOHSUSA-N 405.317 5.118 0 40 HKAB O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 524733571 WCYKLTIXDQVNKJ-FCHUYYIVSA-N 418.928 5.361 0 40 HKAB CCN(CC)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)cc1 670322 LXZQAVWYPVPTEW-UHFFFAOYSA-N 412.917 5.919 0 40 HKAB O=C(NC1CCCCC1)c1ccc2c(c1)C(=O)N(c1ccccc1-c1ccccc1)C2=O 692991 XABMZBDLWQFGAU-UHFFFAOYSA-N 424.500 5.217 0 40 HKAB O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc2ccccc12 784563 XGBMVYJBDBZEDC-GOSISDBHSA-N 416.424 5.300 0 40 HKAB Cc1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1C 901772 BSTLSJKPNCPFLA-UHFFFAOYSA-N 407.417 5.103 0 40 HKAB O=C1CN=C(c2ccc(F)cc2)c2c(sc3c2CCCC3)N1Cc1ccc(F)cc1 930414 ASSSHDQELOVFNU-UHFFFAOYSA-N 422.500 5.289 0 40 HKAB Cc1ccc(C(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)cc1 1054661 ZJJBGVOUGLRRET-UHFFFAOYSA-N 418.465 6.165 0 40 HKAB Cc1ccc2cc(-c3nc4ccc(Cl)cn4c3NCc3ccco3)c(=O)[nH]c2c1C 1330178 PFHSIPRDVGGXGB-UHFFFAOYSA-N 418.884 5.318 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2)c1 1408532 ULWLTIRNZBOGJA-UHFFFAOYSA-N 401.466 5.339 0 40 HKAB COc1c2c(cc3c1[C@@H]1Oc4c(ccc(O)c4CC=C(C)C)[C@@H]1CO3)OC(C)(C)C=C2 1768127 FUNJPZFUOULIEZ-AVRWGWEMSA-N 420.505 5.703 0 40 HKAB biogenic CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2OC)sc(C)c1-c1ccccc1 1782460 NYMYDEDYHYGKMA-CCEZHUSRSA-N 421.518 5.561 0 40 HKAB COc1ccc(/C=C2\N=C(c3ccccc3C)OC2=O)cc1OCc1cccc(C)c1 2060985 OTQQTJIQXRHJFD-HMAPJEAMSA-N 413.473 5.236 0 40 HKAB Cc1oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc2c(=O)c1-c1ccccc1 2199447 HPEUWMCEYVOREF-UHFFFAOYSA-N 412.485 6.285 0 40 HKAB biogenic CCCSc1nc2sc3c(c2c2nnc(SC(C)C)n12)CC(C)(C)OC3 2395039 VBSREPBPPMUNHT-UHFFFAOYSA-N 408.618 5.193 0 40 HKAB COc1ccccc1-c1nnc(SCC(=O)c2ccc(F)cc2)n1-c1ccccc1 2442532 KCKWMVZRDOHYMC-UHFFFAOYSA-N 419.481 5.057 0 40 HKAB aggregator COc1ccc(-n2c(SCc3ccc(C)cc3)nnc2-c2cccc(OC)c2)cc1 2442567 ATDUBVLHUHDGJW-UHFFFAOYSA-N 417.534 5.552 0 40 HKAB O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccccc1 2617021 VGUYENNQVVJPTG-UHFFFAOYSA-N 401.849 5.595 0 40 HKAB O=c1[nH]c(CN2CCC(Cc3ccccc3)CC2)nc2scc(-c3cccs3)c12 2660635 OUFZBOFYHZRWCH-UHFFFAOYSA-N 421.591 5.168 0 40 HKAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)Nc1ccc(Cl)c(Cl)c1 3193944 ZUDAEJNMDWAECA-UHFFFAOYSA-N 416.312 5.622 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=S)NCC(C)(C)CN(C)C)cc3)sc2c1 3285688 ZXRMLXZCYMGYEM-UHFFFAOYSA-N 412.628 5.146 0 40 HKAB O=C(Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1Cl 4190595 PWZPIDUBNFYVKB-UHFFFAOYSA-N 408.929 5.747 0 40 HKAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCS[C@H]1c1ccccc1Cl 4194559 IHLZHKLRUYJUHQ-HNNXBMFYSA-N 408.759 5.083 0 40 HKAB C[C@H]1C[C@H](OC(=O)c2ccccc2C(=O)O[C@@H]2C[C@H](C)CC(C)(C)C2)CC(C)(C)C1 4578985 ATHBXDPWCKSOLE-LWYYNNOASA-N 414.586 6.430 0 40 HKAB Cc1ccc2oc(-c3ccc(NC(=O)COc4cc(C)c(Cl)c(C)c4)cc3)nc2c1 4703904 UXWZQMYHXXJHBO-UHFFFAOYSA-N 420.896 6.091 0 40 HKAB O=C(N[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)c1ccccc1)c1cccs1 4714273 AXDAEDSUZLLQQB-DEOSSOPVSA-N 412.514 5.466 0 40 HKAB COc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1 4733691 KCGMMMVXBGPMGX-UHFFFAOYSA-N 407.857 5.178 0 40 HKAB C[C@@H](NC(=O)N(c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)n[nH]1 5001880 ILCVGMVNBLKSBN-MRXNPFEDSA-N 417.900 5.734 0 40 HKAB O=C1CS[C@H](c2ccc(Br)cc2)N1c1cccc(C(F)(F)F)c1 5190704 GJZWFGPOKQOABJ-OAHLLOKOSA-N 402.235 5.247 0 40 HKAB Cc1ccc(CSc2cc(C(C)(C)C)nc3c(-c4ccccc4)c(C)nn23)cc1 5557222 CDPRKHGECYPKGC-UHFFFAOYSA-N 401.579 6.603 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)ccc21 5621119 MRCOBMIGOOHXEY-INIZCTEOSA-N 406.913 6.182 0 40 HKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccccc2)cc1 6039210 QUGUPJOBEHPLGR-UHFFFAOYSA-N 418.497 5.113 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2ncnc3sccc23)c2ccccc2)c1 6280968 NKPIXGGFMFWWDI-IBGZPJMESA-N 405.548 5.780 0 40 HKAB CCCCOc1ccc(C2=NNC(c3cccs3)=Nc3ccc(OC)cc32)cc1 6480980 ATJZTIRBENKAIJ-UHFFFAOYSA-N 405.523 5.370 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(Cl)c(OCC)c(Cl)c1 6595455 FIVNBZQRHRMMRC-HNNXBMFYSA-N 413.326 5.160 0 40 HKAB Cc1ccc(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)c(C)c1 6613329 SKPGKCBZFYJZIJ-UHFFFAOYSA-N 412.489 5.159 0 40 HKAB O=C(CSc1ccc(Br)cc1)Nc1nc(-c2ccccc2)cs1 6651746 VJJPGWLADWJBTF-UHFFFAOYSA-N 405.342 5.303 0 40 HKAB CC[C@H](C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1 6669257 RJQQNXMHSAEHNH-QUCCMNQESA-N 409.917 5.290 0 40 HKAB Cc1cc(C)cc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)c1 6792372 CMBGHQSXWYLHCU-UHFFFAOYSA-N 407.477 5.177 0 40 HKAB COc1ccccc1/C=C/C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1 7238826 RQDDFDPBMIYPNF-FOCLMDBBSA-N 419.502 5.042 0 40 HKAB O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N(Cc1cccnc1)C1CC1 7909814 DAUKUYSPDGMFQG-UHFFFAOYSA-N 408.954 5.832 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1Oc1ccccc1 7922153 KMXDMSPXUFPSFP-KRWDZBQOSA-N 417.534 5.720 0 40 HKAB COc1cc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c(OC)cc1Cl 8032004 PDYFBURLRHULNL-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)nc2c1 8196626 DZJMSPPNTUWUCA-MRXNPFEDSA-N 418.924 6.843 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)c3cccc(CN4CCCC4=O)c3)cc2)c1 8303449 PYGFHWRNHAUJLP-UHFFFAOYSA-N 400.478 5.162 0 40 HKAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1CCC1=CCCCC1 8428007 ZXNMMTBIYYIMQQ-UHFFFAOYSA-N 424.614 5.774 0 40 HKAB CCOc1cccc2cc(C(=O)Nc3ccccc3-c3nc4ccccc4s3)oc12 8960814 VDKZLUMWQDHZIX-UHFFFAOYSA-N 414.486 6.361 0 40 HKAB O=C(CSc1nc2ccccc2[nH]1)N1N=C(c2cccs2)C[C@H]1c1cccs1 9867104 WEKCJWXMPTVFAH-INIZCTEOSA-N 424.576 5.156 0 40 HKAB COc1cc(C(=O)Nc2nc(-c3cc4ccccc4o3)cs2)ccc1OC(F)F 9870592 NICIKULIIKCHEK-UHFFFAOYSA-N 416.405 5.419 0 40 HKAB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Br)cc1 10542695 PLZAHIHAWKNAAE-UHFFFAOYSA-N 414.274 5.097 0 40 HKAB Cc1cccc(OCCCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667356 BRHOBSVPDTVKCP-LJQANCHMSA-N 417.509 5.288 0 40 HKAB COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2Cc2ccccc2)cc1 12570866 RCCRRYYXNAROHR-HSZRJFAPSA-N 421.338 5.809 0 40 HKAB Cc1nc(-c2nc(NCc3ccc4c(c3)OCO4)ncc2-c2ccsc2)sc1C 12751731 FQPAGDQPMOOJQN-UHFFFAOYSA-N 422.535 5.286 0 40 HKAB C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 12787907 GFKHAHCAERNPEA-SECBINFHSA-N 416.877 6.088 0 40 HKAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1csc(COc2ccc(F)cc2)n1 12904904 CPQSHVJLCREDGY-CQSZACIVSA-N 410.470 5.441 0 40 HKAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2Cl)n2c(nc3ccccc32)N1 13635033 ZDQSACUNWVEFMN-LJQANCHMSA-N 416.308 5.584 0 40 HKAB Cc1ccc(C2=N/C(=C\c3ccccc3OCc3ccccc3Cl)C(=O)O2)cc1 13925452 NFOFKFCBPCHBIA-STZFKDTASA-N 403.865 5.572 0 40 HKAB CCOc1ccc(OCCCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 14167374 ZZGYUSBEKWBPEJ-UHFFFAOYSA-N 424.566 5.260 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3cccc(C)c3)c2)c1C 14405379 LVEWJZVGEPAYEW-UHFFFAOYSA-N 404.514 5.113 0 40 HKAB c1ccc(Cc2nnc(SCc3ccc4ccccc4n3)n2Cc2ccccc2)cc1 15108891 FIWKQLOJDSMIGS-UHFFFAOYSA-N 422.557 5.758 0 40 HKAB Cc1ccc(-c2nsc(NC(=O)c3oc4cc(C)c(Cl)cc4c3C)n2)s1 15860002 XHSWAXNRNFOVDG-UHFFFAOYSA-N 403.916 5.844 0 40 HKAB Cc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)cc1F 16047476 ZUUBEOGBBHVXFO-UHFFFAOYSA-N 418.881 5.069 0 40 HKAB COc1ccc(C(=O)C[C@H](Nc2ccc(C)cc2)c2ccc(Br)cc2)cc1 16293159 RBNRQYUUULFAJI-QFIPXVFZSA-N 424.338 6.192 0 40 HKAB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(Br)c1 17087602 IYUARUCTRPOMHO-UHFFFAOYSA-N 407.267 5.187 0 40 HKAB O=C(C1CC1)N1CCCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 19343863 WSHBILANOPZVEF-ZMSDIMECSA-N 424.492 5.069 0 40 HKAB Cc1cc(Cc2ccccc2)cc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 19691704 SPEPPXCCZNTPTP-UHFFFAOYSA-N 423.560 5.411 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1 20612079 DFVNKTSIWGIPIZ-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Nc1cccc(Br)c1 22072738 WROVRFVCOLSVNT-UHFFFAOYSA-N 420.669 5.633 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(OCc2ccccc2Cl)c1 22258424 WCNXRCBXJPIFFA-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N(Cc1ccncc1)C1CC1 24981681 ZQTLVUFJWDLOBI-UHFFFAOYSA-N 408.954 5.832 0 40 HKAB C[C@@H](NC(=O)Cc1ccccc1)c1nc2ccccc2n1Cc1c(F)cccc1Cl 27587775 WVVUEYLHUJCWIM-MRXNPFEDSA-N 421.903 5.297 0 40 HKAB CCC(CC)C(=O)NC[C@@H](c1ccc(Br)cc1)c1c[nH]c2ccccc12 27742060 YTOIBEWWHRRCBO-IBGZPJMESA-N 413.359 5.615 0 40 HKAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1ccccc1 28652835 OOGLFISCRKTWKJ-AUUYWEPGSA-N 407.341 5.015 0 40 HKAB COc1ccc(-c2nnc(SCc3nnsc3Cl)n2C2CCCCC2)cc1 29871833 NQIAAOKTVIBDKU-UHFFFAOYSA-N 421.979 5.256 0 40 HKAB C[C@@H](c1ccccc1)N1COc2cc3c(cc2C1)CN([C@H](C)c1ccccc1)CO3 31628940 VQIMBTRUSRMLDH-BGYRXZFFSA-N 400.522 5.513 0 40 HKAB O=C(CSCc1cccs1)Nc1cc(Br)ccc1Br 31950547 RCRBLDNELMNHAA-UHFFFAOYSA-N 421.179 5.145 0 40 HKAB O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccc(Cl)cc1 32115454 RZOOYVDKDTWQQQ-UHFFFAOYSA-N 419.214 6.332 0 40 HKAB Cc1ccc(-c2csc(-n3c(NC(=O)c4c(F)cccc4F)cnc3C)n2)cc1 32616194 DDMHKJDLWMLTFO-UHFFFAOYSA-N 410.449 5.143 0 40 HKAB Cc1ccc(C)c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 33659061 DZWIYRRBOOYIQC-UHFFFAOYSA-N 409.363 5.952 0 40 HKAB O=C(NC1CCCC1)c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c12 36618353 DFMGEWSWMKJTCV-UHFFFAOYSA-N 407.470 5.430 0 40 HKAB FC(F)(F)Oc1ccc(-n2c(-c3ccccc3)cnc2SC2CCCC2)cc1 44087906 RJGFTOMIDSSZTB-UHFFFAOYSA-N 404.457 6.473 0 40 HKAB CC(=O)c1sc(NC(=O)c2nc(-c3cccs3)oc2C)nc1-c1ccccc1 47075554 UMKWUYRSIFJRKK-UHFFFAOYSA-N 409.492 5.290 0 40 HKAB Cc1cccc(COc2ccc(/C=C3\N=C(c4ccc(Cl)cc4)OC3=O)cc2)c1 59195396 AGUNPCRNJOQTRD-HMAPJEAMSA-N 403.865 5.572 0 40 HKAB COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3Oc3ccccc3)o2)cc1 63890440 BWLNBONQIDVMAQ-UHFFFAOYSA-N 414.461 5.714 0 40 HKAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C)C1CC1 72215410 QHKVLRRRHVIRBB-GOSISDBHSA-N 417.550 5.448 0 40 HKAB O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 72350368 VHKJCXQUVWQBCK-NRFANRHFSA-N 420.503 5.289 0 40 HKAB CC(C)c1ccc(CSc2nnc(SCCNC(=O)C3CCCC3)s2)cc1 79098658 POWBJOXGYMPMEE-UHFFFAOYSA-N 421.657 5.352 0 40 HKAB CC(=O)Nc1ccc(NC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 84796787 XXRRMHJFHOWNTA-IBGZPJMESA-N 405.420 5.423 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1C[C@@H]2CCC[C@@H](C1)C2=O 102320228 OSEGWXPBJFCZTG-GJZGRUSLSA-N 408.464 5.030 0 40 HKAB Cc1noc2c1[C@H](c1cccc(Cl)c1)C1=C(O)C[C@H](c3ccc(O)cc3)CC1=N2 102729281 SADJGWZFRWOEBL-VFNWGFHPSA-N 406.869 5.950 0 40 HKAB Cc1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)N2C[C@H](C)C[C@@H](C)C2)cc1 102894414 RWUUYEFLSSWUDM-GPMSIDNRSA-N 422.554 5.132 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@]5(C)CCC(=O)O5)[C@@]4(C)CC[C@@H]32)C1 118913411 ZSUHSKYVVTXINZ-WAEJGYNTSA-N 414.586 5.593 0 40 HKAB C[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc(C(C)(C)C)cc1 222722977 GPALBFPSPQPDMW-AWEZNQCLSA-N 410.410 6.402 0 40 HKAB O=C(NCCC1=CCCCC1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224958294 JLQBROMXRSNYGV-UHFFFAOYSA-N 406.913 6.282 0 40 HKAB FC(F)(F)c1cccc(NC(=S)NCCSCc2cccc(Cl)c2)c1 225298804 YFUVBVPUZMYFAA-UHFFFAOYSA-N 404.910 5.579 0 40 HKAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225739296 NMXYNXSXRRAURL-XMMPIXPASA-N 404.595 5.111 0 40 HKAB Cc1cc(Br)ccc1-c1ccc(C(=O)Nc2ccc(N)cc2Cl)o1 227157676 LEQKNWWWBTUOQW-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB COc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)cc1 253497880 YIPJBSXSAMSSSQ-UXAJITLTSA-N 410.598 5.453 0 40 HKAB C[C@@H]1O[C@@H]2c3cc(CCC(=O)O)ccc3OC(C)(C)[C@H]2C[C@H]1c1ccccc1Cl 257276523 NUCHZPQYQBCPGL-SKLLAFBISA-N 414.929 5.778 0 40 HKAB Fc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1Cl 408613025 WJUZZVGWQPSHQN-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB Cc1ccc(CN2C(=O)CC[C@]23CCCN(Cc2ccc(C(C)C)cc2)CC3)cc1 585100021 CKSKXLCMPDZMRE-MHZLTWQESA-N 404.598 5.666 0 40 HKAB Cc1ccc2cc3c(N)c(C(=O)Nc4ccccc4C(F)(F)F)sc3nc2c1 786977 PHGCFFHPIOGPPC-UHFFFAOYSA-N 401.413 5.611 0 40 HKAB O=C(CSc1nnc(Cc2ccccc2)o1)N(c1ccccc1)c1ccccc1 888202 FOXVMFZNISZHBE-UHFFFAOYSA-N 401.491 5.117 0 40 HKAB Cc1nc(SCC(=O)Nc2cccc(C)c2C)c2c3c(sc2n1)C[C@@H](C)CC3 1326137 XBNNANVTVCDMFL-LBPRGKRZSA-N 411.596 5.472 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3F)C3CCCC3)cc2c1 1327108 JKNIGBUDGWVTPH-UHFFFAOYSA-N 407.489 5.206 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cnc(-c2ccncc2)nc1-c1ccccc1 1381793 DQMQAKKOPQXMIS-UHFFFAOYSA-N 420.394 5.477 0 40 HKAB CCCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1OC 1904288 DLZYOAQCWDIEOE-DHZHZOJOSA-N 422.550 5.876 0 40 HKAB Cc1cccc2c(C(=O)Nc3cccc(Br)c3)cc(-c3ccccc3)nc12 2055558 KPOUXWKKEKQJSJ-UHFFFAOYSA-N 417.306 6.225 0 40 HKAB O=C(c1ccccc1)c1ccc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1 2062503 DDXQDZMWHVZXND-UHFFFAOYSA-N 422.434 6.473 0 40 HKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2cccc(Cl)c2)C4)cc1 2116894 SGTUJPZSZULKHB-UHFFFAOYSA-N 419.864 5.479 0 40 HKAB biogenic c1ccc(-c2nnc(Nc3ccc4c(c3)ncn4-c3ccccc3)c3ccccc23)cc1 2299516 BGBFOSNZAXCYIN-UHFFFAOYSA-N 413.484 6.379 0 40 HKAB COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)nc1 2441922 SQFMCTNAQIVXEQ-UHFFFAOYSA-N 421.928 5.136 0 40 HKAB Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4F)cc2-3)OCO5)cc1 2688274 HRDCCBGYDFUUFP-UHFFFAOYSA-N 411.436 5.428 0 40 HKAB Cc1cc(C)cc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2C(C)C)c1 2713497 RBOOQQDGHARHFA-UHFFFAOYSA-N 421.522 5.071 0 40 HKAB COC(=O)c1c(Oc2ccc(OC)cc2)nnc(-c2ccccc2)c1-c1ccccc1 2888664 TXFKLYJLWBTDQC-UHFFFAOYSA-N 412.445 5.398 0 40 HKAB O=c1c2sccc2nc(SCc2ccc(Cl)cc2)n1Cc1ccccc1F 2908967 OFELKQOKWLEUCU-UHFFFAOYSA-N 416.930 5.591 0 40 HKAB Cc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccc(C)cc2)C[C@H]3C(F)(F)F)cc1 3012811 LNTDTRMXXJKHCL-MOPGFXCFSA-N 414.431 5.413 0 40 HKAB COc1ccc(C(=O)[C@H](Sc2ncnc3sccc23)c2ccc(OC)cc2)cc1 3260218 WSHQEGRKROYURL-HXUWFJFHSA-N 422.531 5.425 0 40 HKAB C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 3284304 BVRSQJOAXMASNH-MRVPVSSYSA-N 407.080 5.484 0 40 HKAB CC(C)c1ccccc1-n1c(SCc2ccccc2)nnc1-c1ccc(Cl)cc1 3292996 GQVUBHQJMHNVAG-UHFFFAOYSA-N 419.981 7.003 0 40 HKAB O=C(CSc1nc2ccccc2s1)Nc1nc(-c2c[nH]c3ccccc23)cs1 3315160 UACZNQWQVLTDET-UHFFFAOYSA-N 422.560 5.632 0 40 HKAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(-c4ccccc4)cc2)CSC3)c1 4077332 UKBVMSHAIWVAHS-UHFFFAOYSA-N 411.530 5.847 0 40 HKAB Clc1cccc([C@@H]2CC(c3ccccc3)=NN2c2cc(Cl)ccc2Cl)c1 5006770 SNKULULXIDGKOC-FQEVSTJZSA-N 401.724 7.003 0 40 HKAB CC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)[C@@H](C)c1cccs1 5076586 BXEUCOHZDIOKBI-ZWSUVBHBSA-N 413.627 6.129 0 40 HKAB COc1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(OC)c1OC 5358359 RFDSOHBXUOJCKK-UHFFFAOYSA-N 410.513 6.095 0 40 HKAB CCCCCCSCCOCCOCCOC[C@@H](O)CSCCCCCC 5418277 MDXQPBYSBLVMOM-OAQYLSRUSA-N 424.713 5.024 0 40 HKAB C[C@H](NCc1cccc(OCc2ccc(Cl)cc2)c1)C12CC3CC(CC(C3)C1)C2 5662444 JCUOIPAVBKYKBI-REZYEQBDSA-N 410.001 6.614 0 40 HKAB Cc1cc(C)c2c(n1)sc1c(Cl)nc(SCc3ccc(Cl)cc3)nc12 5697953 XUGUVEVRTTUOGP-UHFFFAOYSA-N 406.363 6.455 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1 6982723 PGVMHVLTGCAKJB-JRGCBEDISA-N 404.522 5.185 0 40 HKAB CCOc1ccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1OC 7280274 PDMSPDDRSQBLBO-DEOSSOPVSA-N 400.478 5.611 0 40 HKAB COc1c(Br)cc(Br)cc1CNC1CCCCCCC1 7523545 LBKAZIZEKHSZLR-UHFFFAOYSA-N 405.174 5.423 0 40 HKAB Cc1ccccc1Cn1c([C@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 7542501 UYNGMISDDPLTCI-IBGZPJMESA-N 415.924 5.567 0 40 HKAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccc2ccccc2c1 8428000 ANEPVXARKUOLIG-UHFFFAOYSA-N 400.507 5.029 0 40 HKAB Fc1ccc(CSc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1 8442340 DRBXAGBYVPWGRW-UHFFFAOYSA-N 417.336 6.823 0 40 HKAB Cc1onc(C(=O)Nc2ccc(F)c(F)c2)c1COc1cccc(C(F)(F)F)c1 8782495 ULUMALCQXLTGAC-UHFFFAOYSA-N 412.314 5.111 0 40 HKAB Cc1ccsc1CN(Cc1ccco1)C(=O)COc1ccc(Br)cc1 8916213 NVBHOQMHKOJANE-UHFFFAOYSA-N 420.328 5.020 0 40 HKAB Clc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1cccs1)n1ncnc1N2 9312401 VXTGLPYRHQMMRG-SFTDATJTSA-N 418.909 5.553 0 40 HKAB C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1 9404363 ACZOCRAUZJSKCB-JTQLQIEISA-N 416.528 5.073 0 40 HKAB COc1cc2c(cc1NC(=O)c1cnc3onc(C(C)C)c3c1)oc1ccccc12 9677434 CCUATZNIUFQTIL-UHFFFAOYSA-N 401.422 5.507 0 40 HKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c1 10120116 YXZNSJCKTCFDQJ-QGZVFWFLSA-N 400.478 5.848 0 40 HKAB CSc1ccc(CC(=O)N(Cc2ccncc2)c2nc3ccc(F)cc3s2)cc1 10254381 LBUAIUYVYSGSTQ-UHFFFAOYSA-N 423.538 5.328 0 40 HKAB CCCc1cc2c(=O)c(-c3nc4ccccc4s3)c(CCCC(=O)O)oc2cc1O 11867633 HZSKDUYSPWWEQO-UHFFFAOYSA-N 423.490 5.135 0 40 HKAB biogenic CCCCn1c(-c2ccc(CC)cc2)cn2c(-c3ccccc3)c(-c3ccccc3)nc12 13712472 WBSPXWQQGNRUOP-UHFFFAOYSA-N 419.572 7.499 0 40 HKAB O=C(CCc1ccsc1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 14367823 NPUHQVBWOQZUJY-UHFFFAOYSA-N 408.401 5.184 0 40 HKAB Cc1sc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1-c1ccc(Cl)cc1 16778824 BFCNIWGEGKEVAG-UHFFFAOYSA-N 419.859 7.083 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4cccs4)ccc3o2)c1 17087751 FTVGGFIJCKRMQA-UHFFFAOYSA-N 407.520 5.300 0 40 HKAB Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)C[C@H](c1cccc(Cl)c1)C3 17092907 ICPUTEPUTVBGSV-MRXNPFEDSA-N 422.315 5.924 0 40 HKAB O=C(Cc1csc(-c2cccs2)n1)N(Cc1ccco1)Cc1cccs1 17366070 DTJGRNJWZDGBCO-UHFFFAOYSA-N 400.550 5.298 0 40 HKAB O=C(Nc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1)c1ccco1 18093550 DWRRJKUPPXZOHB-UHFFFAOYSA-N 406.463 5.029 0 40 HKAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3Cl)o2)C1 21904461 LKCPJHIPEMDIQK-INIZCTEOSA-N 408.885 5.091 0 40 HKAB COc1ccc(-c2nn3cc(-c4ccc(Br)cc4)c4c3n2CCCC4)cc1 22078821 XVQWCJRQWYVABF-UHFFFAOYSA-N 422.326 5.577 0 40 HKAB O=C(Cc1noc2ccccc12)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 24839834 WWGGEZNMJWYZQL-UHFFFAOYSA-N 418.305 5.363 0 40 HKAB Cc1c(C)n(C[C@H](O)CN(C2CCCCC2)C2CCCCC2)c2c(Cl)cccc12 28296774 TZOSLVCCACACBL-QFIPXVFZSA-N 417.037 6.240 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)c2ccncc2)cc1 30952941 PUWKJKIXARTNCM-ZDUSSCGKSA-N 415.276 5.025 0 40 HKAB Cc1cc2nc(-c3cccc(NC(=O)c4ccccc4Br)c3)oc2cc1C 32204020 IEAPCZPLHUCLIC-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB C[C@H]1CCc2c(sc3nc(S[C@@H](C)c4nnc(-c5ccccc5)o4)nc(N)c23)C1 32739541 IFQAYKAXKRHWGH-RYUDHWBXSA-N 423.567 5.302 0 40 HKAB CCOc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3cccs3)C[C@H]21 34138831 RCNGNGKRWOOMEA-XXBNENTESA-N 422.575 6.111 0 40 HKAB CC(=O)c1cccc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc23)c1 34689070 XUFNQCIUHBUCLE-UHFFFAOYSA-N 419.531 5.292 0 40 HKAB CCOc1c(Br)cc(CNc2ccc(CC)cc2)cc1Br 37212943 ITWOBVOPGOQZBZ-UHFFFAOYSA-N 413.153 5.785 0 40 HKAB O=C(NCCCc1ccc(F)cc1)c1ccc(OCCSc2ccccc2)cc1 38755365 WCGHYYWZAZXPNE-UHFFFAOYSA-N 409.526 5.359 0 40 HKAB CC(=O)Nc1ccc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1 40161140 NKQUJSPBHYYCTP-JXAWBTAJSA-N 410.502 5.720 0 40 HKAB Cc1cccnc1Nc1nc(-c2sc(NC(=O)c3ccccc3)nc2C)cs1 40556468 HCDKFIRXHCBFGO-UHFFFAOYSA-N 407.524 5.274 0 40 HKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 44947753 OIXGOOZNWDROAF-UZUQRXQVSA-N 404.510 5.164 0 40 HKAB CCOc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)cc1 46079091 WWLMERCHTOIIAP-UHFFFAOYSA-N 418.468 5.070 0 40 HKAB Cc1ccc(-c2csc3nc(CN4CC=C(c5ccccc5)CC4)[nH]c(=O)c23)s1 57293405 GBYQINFVVUHGCS-UHFFFAOYSA-N 419.575 5.311 0 40 HKAB Cc1c(C(=O)Nc2ccc(CN3[C@H](C)CCC[C@H]3C)cc2)n[nH]c1-c1cccs1 57775356 DLNGSMQFSBACTF-HZPDHXFCSA-N 408.571 5.462 0 40 HKAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)NCc1ccc(Br)cc1F 80343689 GFNSIWXENRKAHF-UHFFFAOYSA-N 423.669 5.135 0 40 HKAB COc1cccc(-c2ccc(C(=O)Nc3ccc(N4CCC(OC)CC4)cc3)cc2)c1 96104471 RJNHSYURJRBSAO-UHFFFAOYSA-N 416.521 5.230 0 40 HKAB CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 100273155 FFRUHYOBORFNFV-WHEQGISXSA-N 421.368 6.123 0 40 HKAB CCCCn1cnc2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2c1=N 100685463 QWVAHBKSNJXZMN-UHFFFAOYSA-N 403.482 5.260 0 40 HKAB CCCOc1ccc([C@@H]2C=C(c3ccc(F)cc3)Nc3ncnn32)c(OCCC)c1 100758065 HLSSRUUDTYJCMQ-NRFANRHFSA-N 408.477 5.051 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219339927 PHTOCBGGMRNMRT-YADHBBJMSA-N 419.521 5.424 0 40 HKAB Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)cc2)cc1 222605378 QZBUKWUQEYPNKL-JJEOQYAHSA-N 417.603 6.131 0 40 HKAB Cc1ccccc1CN(C(=O)CCc1ccc(C(C)C)cc1)[C@H](C)C(=O)NC(C)(C)C 222705178 UAOBGTIREILAPK-OAQYLSRUSA-N 422.613 5.383 0 40 HKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 224358796 JNLGEDFMHZXCJV-DHIUTWEWSA-N 404.583 5.765 0 40 HKAB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccccc1Oc1ccccc1 225801477 WRDFREVOPVKCLD-UHFFFAOYSA-N 403.413 5.239 0 40 HKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 225840825 ZMLYNXHKUGUGOF-QHCPKHFHSA-N 407.551 5.068 0 40 HKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccc(Cl)cc1)C[C@]2(C)NC(=O)Cc1ccccc1 257223678 DYLGJSRMMWWYGV-YXAWXADKSA-N 411.973 5.724 0 40 HKAB Clc1ccc(COc2ccc3ccccc3c2-c2nc3ccccc3s2)cc1 409192446 XMUCSIKRJRWHLV-UHFFFAOYSA-N 401.918 7.349 0 40 HKAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)o2)cc1 409329593 GLSDEXSZQBXSLT-UHFFFAOYSA-N 411.527 5.065 0 40 HKAB Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N(C)CC3CCCC3)c12 606358994 ALKYZCFLXPFFCW-UHFFFAOYSA-N 417.431 5.479 0 40 HKAB O=C(COc1ccc(-c2ccccc2)cc1)N[C@H](c1cccs1)C1CCOCC1 1565522862 AMPBXIMIFGVCJT-DEOSSOPVSA-N 407.535 5.078 0 40 HKAB O=C(Nc1nc(COc2ccccc2)cs1)C(c1ccccc1)c1ccccc1 711355 SECQPAWWYKEKDH-UHFFFAOYSA-N 400.503 5.493 0 40 HKAB COc1ccc([C@@H](CC(=O)c2cccs2)Sc2ccccc2NC(C)=O)cc1 723800 AHKKZWCXZZGMBN-JOCHJYFZSA-N 411.548 5.822 0 40 HKAB CC(=O)c1c(C)n(-c2cccc(Cl)c2)c2ccc(OC(=O)c3ccccc3)cc12 1293852 GRJWOWZIFZJCEQ-UHFFFAOYSA-N 403.865 6.014 0 40 HKAB biogenic C[C@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2N1C(=O)C(C)(C)C 1386007 HYTNFTWYVHYVKB-ZDUSSCGKSA-N 405.325 5.308 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1csc(-c2cccc(C(F)(F)F)c2)n1 1401190 AMGMZXIOKIAYLQ-UHFFFAOYSA-N 416.346 6.100 0 40 HKAB CCOC(=O)c1c(C)n(Cc2ccco2)c2cc(-c3ccc(OC)cc3)c(O)cc12 1405256 UFUQJNUEMCMLMT-UHFFFAOYSA-N 405.450 5.149 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)NC(C)(C)COC(=O)Nc1cccc(Cl)c1 1588988 MGNFKTGRQZWELS-UHFFFAOYSA-N 410.301 5.451 0 40 HKAB CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(OCc2ccccc2)cc1 1777775 YMYVAPIPCLBDJZ-UHFFFAOYSA-N 412.489 6.043 0 40 HKAB CCCCN(CCCC)CCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 1873685 MMFJWHYLXCAAMO-UHFFFAOYSA-N 402.026 6.471 0 40 HKAB C[C@H](Nc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)cnn12)c1ccccc1 2221440 GORZTGNAKTVWAO-INIZCTEOSA-N 404.945 6.520 0 40 HKAB COc1ccccc1NC(=O)C[C@@H](c1ccc(OC(C)C)cc1)c1ccccc1OC 2375168 GRUKPOFKAWBXLB-QFIPXVFZSA-N 419.521 5.652 0 40 HKAB Cc1ccc(OCCSc2nnc(-c3ccncc3)n2-c2ccccc2C)cc1 2618446 JMGLLINJERAKAP-UHFFFAOYSA-N 402.523 5.117 0 40 HKAB Cc1ccc(C)c(CSc2nc3c(c(=O)n2-c2ccc(Cl)cc2)SCC3)c1 2720010 IWKKIPPOMUVDOL-UHFFFAOYSA-N 414.983 5.443 0 40 HKAB Cc1ccc(NC(=O)c2cc(Cl)cn(Cc3cccc(Cl)c3)c2=O)cc1C 3052049 WYEGRRIUFOHRLT-UHFFFAOYSA-N 401.293 5.073 0 40 HKAB CCCCc1ccc(N[C@H](CC(=O)c2ccc(OC)cc2)c2ccc(Cl)cc2)cc1 3112400 WRWVREYJSDCDAZ-RUZDIDTESA-N 421.968 7.117 0 40 HKAB O=C(C[C@@H](c1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1)c1ccccc1 3154737 AJNWAXANBBNSKO-NSOVKSMOSA-N 418.536 7.100 0 40 HKAB O=C(OCc1c(Cl)cccc1Cl)c1cc(-c2ccccc2)nn1-c1ccccc1 3273395 YWKNTMBVFDYYKP-UHFFFAOYSA-N 423.299 6.203 0 40 HKAB CN(c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c12)C1CCCCC1 3299033 GZRDFXCUOWFRGG-UHFFFAOYSA-N 420.626 6.113 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)c1cc2c(s1)CCCCC2)c1ccccc1 3372386 BKUTZCWQXVMPIT-KRWDZBQOSA-N 418.562 5.760 0 40 HKAB c1ccc(-c2nc3ccccc3c3nnc(SCc4nc5ccccc5[nH]4)n23)cc1 3633384 SRQLADHASCNLDV-UHFFFAOYSA-N 408.490 5.113 0 40 HKAB Cc1ccc2[nH]c(SCC(=O)N3c4ccccc4Sc4ccccc43)nc2c1 3666052 FVIQRKNJUNXJEC-UHFFFAOYSA-N 403.532 5.793 0 40 HKAB CCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 4031541 OUCNYUNRBZOMSK-UHFFFAOYSA-N 400.503 6.128 0 40 HKAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2Cl)CSC3)cc1 4176094 GZGNMUOHBYSJSZ-UHFFFAOYSA-N 404.322 5.487 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@@]4(O)[C@@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4293033 UJDBZVSBLYRMDU-ARQSQKKOSA-N 418.706 6.830 0 40 HKAB c1ccc(-c2nc3cc(Cc4ccc5oc(-c6ccccn6)nc5c4)ccc3o2)nc1 4409443 GIRQUNZIDAKZDY-UHFFFAOYSA-N 404.429 5.684 0 40 HKAB CNC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CC[C@H](C)C2 5055595 SVPPEXVPYHJRIL-INIZCTEOSA-N 418.562 5.003 0 40 HKAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1cccc(C(F)(F)F)c1 5136171 IALHQKIUBHNTHV-UHFFFAOYSA-N 414.383 5.144 0 40 HKAB Cc1ccc(-c2nc3c(c(SCC(=O)c4ccccc4)n2)COC(C)(C)C3)cc1 5306119 YAFJUVLEQYUUQF-UHFFFAOYSA-N 404.535 5.278 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 5792954 FVGBVMGVWCAQAF-UHFFFAOYSA-N 408.885 5.227 0 40 HKAB O=C(COc1ccccc1)c1cn(CCOc2cccc3ccccc23)c2ccccc12 6393081 NVBHOIXMPXZZFD-UHFFFAOYSA-N 421.496 6.135 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc5ccccc45)c3)nc2c1 6440226 WSHJKMHURAOHFA-GOSISDBHSA-N 420.512 7.414 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccccc2)nn1-c1ccccc1 6839460 VAPYNZULKSDUGT-UHFFFAOYSA-N 407.395 5.810 0 40 HKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccc(Cl)s2)nc2ccccc12 7079274 YEGSIOJCWWCUJW-UHFFFAOYSA-N 422.981 6.315 0 40 HKAB Cc1ccc(NC(=O)[C@@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)cc1 8132103 WLVGIDSBLKOAIQ-SFHVURJKSA-N 406.536 5.314 0 40 HKAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 9594773 QAJQOOOUOVAKNC-UHFFFAOYSA-N 421.884 5.648 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 10314296 ZBKQLIXOINOFPT-UHFFFAOYSA-N 422.550 5.173 0 40 HKAB CCCCCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2c2ccccc2)c2ccccc21 10342420 YPMFIAPJFSJZLS-AREMUKBSSA-N 411.505 5.149 0 40 HKAB CSc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13768896 ZIVSFWWZMHBQBX-HYBUGGRVSA-N 416.502 5.380 0 40 HKAB C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@H]2[C@H](C)CCCC(C)(C)O 14693643 JWUBBDSIWDLEOM-WVMHGIDQSA-N 400.647 6.734 0 40 HKAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(-c2cccc(Cl)c2Cl)o1 17090965 HAIFWQGWWMSJEK-UHFFFAOYSA-N 417.292 5.342 0 40 HKAB O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccc(F)c1 17094149 FAOQOXYKUWGFIE-UHFFFAOYSA-N 424.888 5.149 0 40 HKAB COc1ccc([C@@H](NC(=O)C=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 17193736 WXMDTTFMEOKTPQ-LJAQVGFWSA-N 419.524 6.033 0 40 HKAB Cc1nc(NCc2ccccc2OC(C)C)cc([C@H](C)Cn2nc(C)c(C)c2C)n1 19717920 MJMLLLSTNYDMQE-MRXNPFEDSA-N 407.562 5.110 0 40 HKAB CCOC(=O)c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1Cl 20042734 JOZJKBKBUGAYFY-UHFFFAOYSA-N 424.909 6.352 0 40 HKAB Cc1ccc(SCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 20483129 DQVKQGJFUMAHRS-UHFFFAOYSA-N 416.590 5.470 0 40 HKAB COc1ccc(-n2nc(Nc3ccc(Cl)c(Cl)c3)c3c2C[C@H](C)CC3=O)cc1 20796991 HGBINLXNNTZEPW-LBPRGKRZSA-N 416.308 5.696 0 40 HKAB Cc1ccc(N(Cc2ccco2)C(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1 22279702 HUXBPSITRQHGEM-UHFFFAOYSA-N 422.431 5.687 0 40 HKAB Cc1cn(CCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc12 22454841 YZMISAQUGOJTJU-UHFFFAOYSA-N 423.604 5.747 0 40 HKAB CC(=O)Nc1ccc(NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)cc1 22522489 IPNVFJIMBAUAEL-PXLXIMEGSA-N 422.431 5.426 0 40 HKAB Clc1ccc(-c2csc3ncnc(Sc4nnc(-c5ccco5)o4)c23)cc1 24071240 SYUGIOCUHNTDBP-UHFFFAOYSA-N 412.883 5.806 0 40 HKAB CCCN(Cc1nc(-c2ccc(C(C)C)cc2)no1)Cc1nnc(-c2cccs2)o1 24214227 GIDZGZQUTSBSEX-UHFFFAOYSA-N 423.542 5.384 0 40 HKAB CC(C)(C)c1ccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 28288686 BTNZVKYSRIXTKL-DEOSSOPVSA-N 406.614 5.849 0 40 HKAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCSc3ccc(Cl)cc3)cc2)C1 30757129 MMAIHESNGNEKJT-QGZVFWFLSA-N 402.991 5.094 0 40 HKAB CN(C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccc2ccccc2c1 40140947 CLLCKPXARODVTL-UHFFFAOYSA-N 415.514 5.090 0 40 HKAB CCc1ccccc1O[C@@H](C)C(=O)NCCSCc1ccc(Cl)cc1Cl 44901654 FXSPGGFYUUVYPP-AWEZNQCLSA-N 412.382 5.373 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc5nsnc5c4)ccc3o2)c(C)c1 59294023 ZBSBKWCURHONEE-UHFFFAOYSA-N 400.463 5.369 0 40 HKAB Cc1cc(Br)cc(C)c1NC(=O)c1c(-c2ccccc2Cl)noc1C 59489554 NLYNDZWSYPMFFL-UHFFFAOYSA-N 419.706 5.935 0 40 HKAB CC(C)c1noc([C@@H](C)N2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)n1 69738711 VXQHZKXBDKSJSF-OAHLLOKOSA-N 408.477 5.098 0 40 HKAB CC(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc([C@H]3CC3(Cl)Cl)cc2)cc1 72406459 JHIZISFZVDROAI-GOSISDBHSA-N 421.324 5.102 0 40 HKAB ClC1=C(Cl)[C@]2(Cl)C(c3ccccc3)=C(c3ccccc3)[C@@H]1C2(Cl)Cl 101019829 JMLMIYNEEGMNER-MAUKXSAKSA-N 416.562 7.082 0 40 HKAB Clc1ccccc1[C@H](c1ccccc1)[C@H](c1ccccc1)c1ccccc1Cl 104385681 MATSURWGMAEFEN-WMPKNSHKSA-N 403.352 7.957 0 40 HKAB CN(CCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 218993140 NQIGSWCQNKXSQE-UHFFFAOYSA-N 408.929 5.175 0 40 HKAB Cc1ccccc1CN(C(=O)CCc1ccc(C(C)C)cc1)[C@@H](C)C(=O)NC(C)(C)C 222705120 UAOBGTIREILAPK-NRFANRHFSA-N 422.613 5.383 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 222925366 PMVTVKJJFQZXQU-OAQYLSRUSA-N 410.558 5.309 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Oc1ccccc1 223022912 QWYBDZRNCSJTDA-DEOSSOPVSA-N 401.506 6.154 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1C(C)C 223273199 HCCDBHGUFNRLAA-WATSXHCISA-N 413.561 6.545 0 40 HKAB O=C(COc1ccc2c(c1)CCCC2)NCCSCc1c(Cl)cccc1Cl 223983307 OTEWQQBFAYGRPY-UHFFFAOYSA-N 424.393 5.301 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)c1 224231074 HXZLXVDXINPONJ-PKTZIBPZSA-N 402.567 5.484 0 40 HKAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C 224264578 KAMIROVJSDAWTM-XZOQPEGZSA-N 404.583 5.314 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COCC(C)C)c2)cc1 224455081 CWXSNNFRRVWNKU-UHFFFAOYSA-N 413.514 5.077 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc21 225130397 OXTOHYFVLZFWRO-XBXARRHUSA-N 407.322 5.603 0 40 HKAB COc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)cc1Cl 225302439 NVDCFIPVXZRXIM-UHFFFAOYSA-N 401.384 5.222 0 40 HKAB Cc1cccc(CSCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 225337457 ZGDMIRZISODGSP-UHFFFAOYSA-N 418.937 5.887 0 40 HKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1ccc(Cl)cc1 225339396 SYTAAFXXBDTZDY-INIZCTEOSA-N 403.975 5.036 0 40 HKAB COC(=O)c1c(NC(=O)CCc2ccc(Cl)cc2Cl)sc2c1CCCC2 225371222 RSKVVQYNUNVWRI-UHFFFAOYSA-N 412.338 5.292 0 40 HKAB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1N1CCCC1=O 225408250 IQJRWDUPWDMVLQ-KRWDZBQOSA-N 409.599 5.467 0 40 HKAB CCOC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 225511021 NTUZTUFGPPSJQQ-JOCHJYFZSA-N 404.535 5.248 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCc4ccccc4)c(C)c3)CCCCC2)c1 225540956 YFCRUNUDJYEFJB-UHFFFAOYSA-N 413.561 6.723 0 40 HKAB CCCCOc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C 225581049 VBYZQYKKXGWYMI-UHFFFAOYSA-N 415.961 5.823 0 40 HKAB COc1ccc(SCCCNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225803768 LDAXDGUQSLAZKZ-UHFFFAOYSA-N 416.612 5.485 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(Cc4ccco4)c3C)N21 260756071 DCJAQUZZJNRZNH-YHYVQYDKSA-N 406.555 5.121 0 40 HKAB COc1cc(C(=S)NCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1 408577821 UNLWARMMYRVZOV-UHFFFAOYSA-N 415.917 5.532 0 40 HKAB O=C(O)/C(=C/c1ccccc1OCc1ccccc1F)Sc1nc2ccccc2[nH]1 408634579 RVKUUQXYSWVITD-BKUYFWCQSA-N 420.465 5.499 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(Cl)cc2)c1 408698076 NIFSOCWCCKZPNM-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB CC(C)[C@H]1CC2(CCN(Cc3cncn3C)CC2)CO[C@@H]1c1ccccc1Cl 1615157723 PZQIFYLGKJVYKO-IFMALSPDSA-N 401.982 5.090 0 40 HKAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)C1 648905 WWSKJQMUOLMYHS-FYSMJZIKSA-N 424.495 5.375 0 40 HKAB COc1cccc(C(=O)N(c2ccccc2)[C@@H]2C[C@H](C)N(C(C)=O)c3ccccc32)c1 713017 HXHUJYWBFHSGAR-AVRWGWEMSA-N 414.505 5.228 0 40 HKAB O=C(Nc1ccccc1)Nc1cccc(Nc2ncc(C(F)(F)F)cc2Cl)n1 1401593 ZAAVMYHIIXFUKX-UHFFFAOYSA-N 407.783 5.536 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccccc4C)c3)nc2c1 1859065 YNVWQYNQPIFWFD-OAHLLOKOSA-N 418.924 7.222 0 40 HKAB CCOc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(F)cc1 2052494 KJIKDTWBRRJCDN-HSZRJFAPSA-N 408.498 5.500 0 40 HKAB aggregator O=C(CSc1nnc(NC(=O)c2ccccc2Cl)s1)c1ccc(Cl)cc1 2223521 RZYYGQGABDTTBJ-UHFFFAOYSA-N 424.334 5.072 0 40 HKAB CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1 2247413 LUHVXURXTKXALD-IBGZPJMESA-N 402.475 5.123 0 40 HKAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 2446648 AUCWBRBXRUPXKO-UHFFFAOYSA-N 422.598 5.634 0 40 HKAB COc1ccccc1-c1nnc(SCc2ccc(C)cc2)n1-c1ccc(Cl)cc1 2453366 BUDUIIPHKLKFPD-UHFFFAOYSA-N 421.953 6.197 0 40 HKAB C[C@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 2621874 WGONRHWOQHTZEN-ZDUSSCGKSA-N 424.299 5.515 0 40 HKAB O=C(/C=C/c1cccc(Br)c1)Nc1nc(-c2ccc(F)c(F)c2)cs1 2656864 LJAYGDSVXGIUJN-QPJJXVBHSA-N 421.266 5.503 0 40 HKAB CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 2715023 FBXQMAVVUYGMPM-UHFFFAOYSA-N 407.315 5.672 0 40 HKAB O=C1CS[C@H](c2cccc(Br)c2)N1c1cccc(C(F)(F)F)c1 2947449 ATAYLHXROYPCGI-OAHLLOKOSA-N 402.235 5.247 0 40 HKAB Cc1cc(-c2ccc(Br)cc2)cc(-c2ccc(Br)cc2)n1 3014096 SDQUUQMJFSAQCD-UHFFFAOYSA-N 403.117 6.249 0 40 HKAB COc1ccc(NC(=O)CCN2c3ccccc3Sc3ccccc32)cc1OC 3250130 NZSRKMNKADWJKI-UHFFFAOYSA-N 406.507 5.335 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 3422894 NYVSXQQDEVKULT-UHFFFAOYSA-N 409.276 5.493 0 40 HKAB COc1ccc(-c2cc3ccccc3n2C[C@H](O)CNc2ccc(C(C)C)cc2)cc1 3442412 OLWVLCCTZQXHHJ-XMMPIXPASA-N 414.549 5.913 0 40 HKAB O=C1O[C@]2(C[C@H](c3ccccc3)[C@H]3CCCC[C@@]34Nc3ccccc3N42)c2ccccc21 3999084 JQKXIOGQANFJIF-BWLGUYNBSA-N 422.528 6.016 0 40 HKAB biogenic Cc1ccccc1CSc1cn(CCNC(=O)c2ccccc2C)c2ccccc12 4059806 UGWTXCYMSZLARQ-UHFFFAOYSA-N 414.574 5.980 0 40 HKAB Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CCc1c[nH]c2ccccc12 4072985 XLMADCKYFXLGAS-UHFFFAOYSA-N 411.332 5.778 0 40 HKAB CCCCCCN(CCCCCC)CC(=O)Nc1c2c(nc3ccccc13)CCC2 4181138 JGORWRWOQYTHJH-UHFFFAOYSA-N 409.618 6.125 0 40 HKAB COc1ccccc1[C@@H]1C(C(=O)OC2CCCCC2)=C(C)Nc2nc3ccccc3n21 4767897 DFMZIOKBYICAGQ-HSZRJFAPSA-N 417.509 5.210 0 40 HKAB CCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccc(C(C)(C)C)cc2)cc1 4866046 LSJBSZWIMSUMGI-JOCHJYFZSA-N 418.459 5.156 0 40 HKAB CC(C)CCSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCCC4 4903826 KJKWXEBUOBEWIN-UHFFFAOYSA-N 408.596 6.023 0 40 HKAB COc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(OC)cc32)cc1 6075420 IPBJVEZGASCMCX-UHFFFAOYSA-N 413.521 5.435 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C(c1ccccc1)c1ccccc1 6221167 HGFCUXQENWDIST-UHFFFAOYSA-N 413.904 6.903 0 40 HKAB O=C(Cn1c(N2CCC(Cc3ccccc3)CC2)nc2ccccc21)c1ccccc1 6315708 LPKWCVWXMUJACM-UHFFFAOYSA-N 409.533 5.378 0 40 HKAB Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1SCc1ccc(Cl)cc1 6792428 YLYCACCSNSVTCQ-UHFFFAOYSA-N 410.369 7.809 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccc2c(c1)OCO2 6890689 FWRWEMNGHJUMSF-UHFFFAOYSA-N 408.866 5.598 0 40 HKAB COc1ccc(-c2cn3c(C)c(C(=O)Nc4c(C)cc(C)cc4C)sc3n2)cc1 7415772 JJHKOBXRTIZIFA-UHFFFAOYSA-N 405.523 5.557 0 40 HKAB COc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl 7537962 JBFMRIVQOXXTKV-UHFFFAOYSA-N 416.348 6.179 0 40 HKAB Clc1ccc(CSc2nc(-c3cccs3)nc3ccccc23)cc1Cl 7654895 XCGQAHKJEQLWNC-UHFFFAOYSA-N 403.359 6.957 0 40 HKAB Cc1ccc(C)n1N(Cc1ccc(Br)cc1)C(=O)c1ccccc1Cl 8475568 GBSZZSARLMKCKD-UHFFFAOYSA-N 417.734 5.499 0 40 HKAB Cc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)Nc2ccccc2)nn1 8589305 LMZFSKGPUHWGLG-UHFFFAOYSA-N 418.547 5.306 0 40 HKAB CCc1ccc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(C(=O)O)cc2)cc1 8595556 MKTGXEHXRMZICT-DEOSSOPVSA-N 423.472 5.087 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)sc(C)c1C 8753767 NBGVNAXHRWNHGA-UHFFFAOYSA-N 420.490 5.602 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccccc3-c3nc4ccccc4s3)oc12 8960493 AFVOQEMJVDWFBV-UHFFFAOYSA-N 400.459 5.970 0 40 HKAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1cccc(NC(=O)c2ccco2)c1 11360948 PHRLDBYRYFHXEE-UHFFFAOYSA-N 400.434 5.363 0 40 HKAB c1ccc(Cn2c(-c3ccc4c(c3)OCCO4)cs/c2=N\c2ccccc2)cc1 11913827 HGHKXCMUTCQBRD-IZHYLOQSSA-N 400.503 5.269 0 40 HKAB C[C@@H](C(=O)N1CCC(c2nc3ccccn3c2NC(C)(C)C)CC1)c1ccccc1 12127757 ZEYWQNOSILPPQM-GOSISDBHSA-N 404.558 5.054 0 40 HKAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 12978227 HZXJOVVGHRQDGI-UHFFFAOYSA-N 404.558 5.135 0 40 HKAB CCc1ccc(O[C@H](C)c2nnc(SCc3ccc(Cl)cc3)n2CC)cc1 13871443 YIDDNSDUHGYPCJ-OAHLLOKOSA-N 401.963 5.946 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1Br)c1ccccc1 13999469 ROHMVQNEESSHBG-HNNXBMFYSA-N 423.310 5.192 0 40 HKAB O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc(C2CCCCC2)cc1 14169661 LGYJFBJTRUNJDR-UHFFFAOYSA-N 404.432 5.279 0 40 HKAB O=C(CCC(=O)N1CCc2sccc2[C@H]1c1cccs1)c1ccc2c(c1)CCC2 14200813 FOBCVFZCHGYIFK-DEOSSOPVSA-N 421.587 5.436 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)/C(=C/c1ccccc1Cl)c1ccccc1 14413245 YJZXOLPNPUMGKZ-SFQUDFHCSA-N 402.708 6.826 0 40 HKAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)CCc3ncc(-c4ccccc4)o3)n2c1 14780098 OJKZCKOORBJSMR-UHFFFAOYSA-N 422.488 5.536 0 40 HKAB CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(NS(=O)(=O)c3ccccc3)cc12 16807614 SMNJOVCVARIDLU-UHFFFAOYSA-N 418.518 5.251 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1Cl 17089398 TWUQBNQSIWONFM-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB O=C(/C=C/c1ccco1)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 17093335 YBQKSISSAQEPKJ-CSKARUKUSA-N 422.897 5.003 0 40 HKAB CSc1nc(=O)c2c3c(sc2[nH]1)[C@H](c1ccccc1)S[C@H](c1ccccc1)C3 17138705 POUIJHJIIZDENG-WMZOPIPTSA-N 422.600 5.827 0 40 HKAB CCOc1cc2c(cc1CN[C@@H](Cc1ccsc1)c1nc(C)cs1)O[C@@H](C)C2 19532531 NSFQGPGVARSDJG-KXBFYZLASA-N 414.596 5.309 0 40 HKAB Cc1nn(Cc2ccccc2)c(C)c1CN(Cc1cccnc1)Cc1ccccc1F 19578322 GMVLZLSTTQOACJ-UHFFFAOYSA-N 414.528 5.285 0 40 HKAB C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc2ccccc12 21433995 MUCCAWKISKZUIL-INIZCTEOSA-N 404.897 5.958 0 40 HKAB O=C(CCSc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 21548876 PQCBGHRZSDRWIT-UHFFFAOYSA-N 416.590 5.103 0 40 HKAB COc1c(Br)cc(F)cc1NC(=O)Cc1coc2cc(C)c(C)cc12 25052558 FBMULWXCKDQZRS-UHFFFAOYSA-N 406.251 5.141 0 40 HKAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2ccc(CSC(F)F)o2)c1 32770898 YYBQMQUMFZKWIO-UHFFFAOYSA-N 417.437 5.632 0 40 HKAB CCOc1ccc(C2=NN3[C@H](c4ccc(F)cc4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 36352220 IUVVUSRWRXYRGT-VWNXMTODSA-N 422.887 6.120 0 40 HKAB O=C1S/C(=C\c2ccc(-c3cc[nH]n3)s2)C(=O)N1c1cccc(C(F)(F)F)c1 40556507 GBXQLVVXHRBCMC-DHDCSXOGSA-N 421.425 5.398 0 40 HKAB O=C(CSc1cc(NCc2ccccc2Cl)ncn1)Nc1ccccc1Cl 49006712 ZFONAVUOODIYBV-UHFFFAOYSA-N 419.337 5.126 0 40 HKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC=CC(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 71775106 IZPGPXVZTJYAGW-MBOGDGODSA-N 408.714 8.974 0 40 HKAB Nc1cc(Cl)c(NC(=O)c2ccc(Cl)cc2Cl)cc1NC1CCCCC1 72229402 AMFUBMNGADPHQK-UHFFFAOYSA-N 412.748 6.226 0 40 HKAB Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)CCOc3ccccc3C)n2)n1 72375617 SMMZCPZFJFMEME-LJQANCHMSA-N 422.554 5.031 0 40 HKAB c1ccc(CN2COc3c(ccc4c5c(ccc34)CN(Cc3ccccc3)CO5)C2)cc1 90751664 WPCIJWIOBUMZMG-UHFFFAOYSA-N 422.528 5.544 0 40 HKAB in-vitro CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)c2C(=O)OC)C1 102839176 VCKNNLPQBAONOU-QBYUYEEZSA-N 403.588 5.451 0 40 HKAB C1CCC(C(CCCCC(C2CCCCC2)C2CCCCC2)C2CCCCC2)CC1 104127687 VSAQRYVOTNSXBL-UHFFFAOYSA-N 414.762 10.100 0 40 HKAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 224221277 DIDJCWLAKFVRGW-RUZDIDTESA-N 416.565 5.024 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1cccc2ccccc12 224301288 PLRHRMHCYREUGE-UHFFFAOYSA-N 417.892 6.333 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1ccccc1 224362810 XELIWDKTFODOOH-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1cc(C)cc(C)c1 224532289 SDULRLXEGTYMDU-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccc(Cl)c(C)c1 224541823 PGZFWCDKHDPWGK-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB CCN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224623272 NFRYUQZFHXEQSE-UHFFFAOYSA-N 408.734 5.179 0 40 HKAB O=C(NCc1ccccc1CN1CCCCC1)c1cccc(OCc2ccccc2)c1 224831619 NCILQOURXCVDRB-UHFFFAOYSA-N 414.549 5.182 0 40 HKAB COc1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2cccc(OC)c2)cc1 225318391 NPBQAWWBRHWBHY-UHFFFAOYSA-N 411.885 5.721 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCCCC3)cc2)CCC(C)CC1 225669050 NLNBFLSKOJLVNJ-UHFFFAOYSA-N 416.606 5.255 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c2ccccc2O1 225707539 KNLHEKDJKROJNR-FDDCHVKYSA-N 403.522 5.806 0 40 HKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C(F)(F)F 225763501 SFHCHKOJWSLFDC-UHFFFAOYSA-N 411.851 6.208 0 40 HKAB COC(=O)c1cc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)ccc1Cl 225810656 QBARQMKVZMSVGK-UHFFFAOYSA-N 420.937 5.064 0 40 HKAB COc1cccc(C(=O)N2CCC[C@H](c3cc(-c4ccccc4)cc(C)n3)C2)c1OC 257306938 SWQMZTIQQPXVNN-FQEVSTJZSA-N 416.521 5.094 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCN3CCCC[C@H]3C)cc2)CCC(C)CC1 260814539 KKFNYMWOAOVDKT-YOOZRZFBSA-N 416.606 5.254 0 40 HKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260816873 RKNOXLGCMMAZAD-PXDATVDWSA-N 418.622 5.500 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccccc2)cc1Cl 408696355 AGSDNVOIXJCHIC-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1c(Cl)cccc1NCc1cc(Cl)c(OCc2ccccc2)c(Cl)c1 409114034 PLXCGVWCPYHCQF-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3cccc4ccccc34)cc2)c1 409183514 UTDBTIBZOBPYGK-UHFFFAOYSA-N 410.469 5.767 0 40 HKAB CC(=O)c1ccc(Oc2ccc(C(=O)N3C[C@H](C)O[C@H](c4ccsc4)C3)cc2)cc1 534810203 PLYHIXKKNOQLAS-HJPURHCSSA-N 421.518 5.345 0 40 HKAB CCCOc1ccc(C)cc1-c1ccc(C(=O)O)c(COc2ccccc2C(C)C)n1 585265612 UXPXBWVBVJNELN-UHFFFAOYSA-N 419.521 6.246 0 40 HKAB COc1cccc(NC(=O)c2c(NC(=O)c3ccccc3C)sc3c2CCC3)c1 728992 KCIOOOACZZFTRA-UHFFFAOYSA-N 406.507 5.058 0 40 HKAB CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccccc12 834420 PIZSYSCKPFFVDW-UHFFFAOYSA-N 421.518 5.823 0 40 HKAB Cc1ccccc1OCCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 1770741 FPSYSCCTRZHARZ-UHFFFAOYSA-N 418.924 5.885 0 40 HKAB CCCCCc1ccc(-c2ccc(-c3nnc(-c4ccc(Cl)cc4)o3)cc2)cc1 2030808 SYVVBGOGAWSMSG-UHFFFAOYSA-N 402.925 7.457 0 40 HKAB C1=C(c2ccccc2)N2c3ccccc3N[C@]2(c2ccccc2)C[C@H]1c1ccccc1 2050943 RAWZQSIBVZYFPL-PWUYWRBVSA-N 400.525 7.000 0 40 HKAB CSc1ccc(OC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(C)cc2)cc1 2179699 DYTYDMCMZJGCJW-JWGURIENSA-N 400.503 5.540 0 40 HKAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1c(Cl)cccc1Cl 2195055 MBRHLBQTAYCGBD-BVZFJXPGSA-N 402.258 5.081 0 40 HKAB Cc1cc(C)cc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)c1 2234969 ZWUQCNMNCRRUJI-UHFFFAOYSA-N 406.533 6.550 0 40 HKAB Cn1c(NC(=O)c2ccc(C(C)(C)C)cc2)c(-c2cccs2)c(=O)c2ccccc21 2241270 PAYMWTBZZQODOK-UHFFFAOYSA-N 416.546 5.817 0 40 HKAB CCn1c(SCc2cccc(Br)c2)nc2sc(C)c(C)c2c1=O 2356420 WPFCBSYZMLMAPW-UHFFFAOYSA-N 409.374 5.150 0 40 HKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 2451334 MPOPXWYZYXQOMG-UHFFFAOYSA-N 420.409 6.862 0 40 HKAB O=C(OCc1cn(-c2ccccc2)nc1-c1cccs1)c1c(F)cccc1Cl 2655683 GSQUKADNXWGWNL-UHFFFAOYSA-N 412.873 5.750 0 40 HKAB CCCCCNc1nc2c(-c3cccc(Br)c3)nnn2c2ccccc12 2713084 AUPQBFQQXCWAFS-UHFFFAOYSA-N 410.319 5.309 0 40 HKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(NCc4ccccc4Cl)ncnc32)c1 2714309 BSASBHUXGMEMKJ-UHFFFAOYSA-N 424.935 6.661 0 40 HKAB Cc1cccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)c1 2887636 JBLCWXKSBFEJGF-UHFFFAOYSA-N 406.338 5.400 0 40 HKAB O=C(C[C@H](Nc1cccc(Br)c1)c1ccc(Cl)cc1)c1ccccc1 3168617 FFHNDKQJAAEKMB-FQEVSTJZSA-N 414.730 6.529 0 40 HKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)/C=C/c2ccco2)cc1 3246249 FUMNHIYTAWSIDN-CCEZHUSRSA-N 404.466 5.021 0 40 HKAB CCCCc1ccc(NC(=O)CSc2nnc(Nc3cccc(C)c3)s2)cc1 3286973 GVEUNRGMSYBUCY-UHFFFAOYSA-N 412.584 5.664 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)CCCSc3ccccc3)n2)c1 3366168 UZDGJMCIYKESMX-UHFFFAOYSA-N 414.552 5.338 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H]4O[C@]45C[C@H](O)CC[C@@]5(C)[C@@H]3CC[C@@]12C 4535853 PRYIJAGAEJZDBO-AVGDWWSFSA-N 402.663 6.600 0 40 HKAB Cc1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)sc2c1 4550187 OZRFEWATUDNWJQ-UHFFFAOYSA-N 403.290 6.424 0 40 HKAB Cc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)nc2c(C)c(Cl)ccc12 4554226 QHXFSCPBKJMCSP-UHFFFAOYSA-N 400.909 6.733 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 4657273 BKGHHJSDHVFNRT-DZGCQCFKSA-N 410.783 5.042 0 40 HKAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1Cl 4684670 WCIXLGWUBXLBFP-GOSISDBHSA-N 402.281 5.195 0 40 HKAB O[C@@](C1CCCCC1)(C1CCC2(CCCCC2)CC1)[C@@H]1CCC[C@H]2CCCC[C@@H]21 5086215 JABAJANPPUTYNB-XOEMUTSUSA-N 400.691 8.045 0 40 HKAB Cc1cc(C)cc(C[C@@H](C)CC(=O)Nc2ccccc2I)c1 5170696 OWDQBAAYJOFLEB-OAHLLOKOSA-N 407.295 5.115 0 40 HKAB Cc1ccc(C2=N/C(=C\c3c(OCc4ccccc4)ccc4ccccc34)C(=O)O2)cc1 5277345 OHJSVQIYUJVIDV-UQQQWYQISA-N 419.480 6.072 0 40 HKAB CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C/c1ccc(OCc2ccccc2)cc1 5477759 ZEMVAPDHSLHVOZ-XRSIXNAVSA-N 424.544 5.293 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Nc1ccc(Cl)cc1 5560689 UCIJXBVYPNQCRA-UHFFFAOYSA-N 414.914 6.198 0 40 HKAB C[C@@H](Sc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(N(C)C)cc1 6623115 LWLSDPUQZXVTJN-CYBMUJFWSA-N 401.532 5.135 0 40 HKAB CC[C@@H](C(=O)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1 6669258 RJQQNXMHSAEHNH-UYAOXDASSA-N 409.917 5.290 0 40 HKAB CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(F)cc2)c2ccccc21 6719471 QHIKJEKWFYUUDU-BXKMTCNYSA-N 402.469 5.359 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1 7080112 GIWCBCDHPMNBPU-INIZCTEOSA-N 418.468 6.165 0 40 HKAB C[C@H](N[C@H](C)c1cccs1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 7664196 XDSZRYRRMMHLAM-CVEARBPZSA-N 421.591 5.626 0 40 HKAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)Nc1ccc(SC(F)F)cc1 7780090 FEKFUINEAMJHLQ-FARCUNLSSA-N 411.857 5.468 0 40 HKAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O 8361853 JODURBTZKKBAKN-VZOQVYJPSA-N 423.516 5.279 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c(Cl)c1 8369844 KCHITELRBBGHTH-UHFFFAOYSA-N 413.329 6.831 0 40 HKAB CCOc1c(Br)cc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1OC 8723433 FYFCIYOOIAKQPG-UHFFFAOYSA-N 418.209 5.128 0 40 HKAB Cc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)nn1C 9001767 CLSCOBQCAJNUEQ-UHFFFAOYSA-N 408.552 5.198 0 40 HKAB CC(C)c1cccc2sc(N3CCN(C(=O)c4cccc5ccccc45)CC3)nc12 9034573 MEFZJVVZLCSHLO-UHFFFAOYSA-N 415.562 5.535 0 40 HKAB Cc1cc(NC(=O)CSc2ncnc3cc(-c4ccc(Cl)cc4)sc23)no1 9174574 VKSWVCIBOWJJFW-UHFFFAOYSA-N 416.915 5.039 0 40 HKAB O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccc(Cl)cc1Cl 9366837 MVZCGDUHKPJEGI-UHFFFAOYSA-N 414.314 5.529 0 40 HKAB O=C(Nc1ccccc1)c1oc2ccccc2c1NC(=O)c1cccc2ccccc12 9413620 OIHVPKNAQHQVNZ-UHFFFAOYSA-N 406.441 6.091 0 40 HKAB Cc1c(Cl)cccc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 9627895 UFNXVFGYROFXRK-UHFFFAOYSA-N 420.321 5.192 0 40 HKAB CC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4F)ccc3o2)cc1 9660152 LSDIOGAKNUMVHO-UHFFFAOYSA-N 401.437 5.975 0 40 HKAB biogenic COC(=O)c1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 9683257 ZUABDYRBTPAEGX-HXUWFJFHSA-N 419.868 5.378 0 40 HKAB CCn1ncc2c(C(=O)Nc3nc4ccccc4s3)cc(-c3cccs3)nc21 11327723 NXRKORZUOCHJLC-UHFFFAOYSA-N 405.508 5.042 0 40 HKAB Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ccc(Cl)cc2F)cs1 11425644 JSPULCSVYHROPE-RMKNXTFCSA-N 402.878 5.475 0 40 HKAB Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@H]3CCCc4ccccc43)s2)c1 13138530 BYPGCWSTNHDOBX-BEFAXECRSA-N 424.595 5.265 0 40 HKAB CSCC[C@@H](NC(=O)c1cccs1)c1nc2ccccc2n1Cc1ccccc1 13281385 VJOKTHJPAQLUOI-LJQANCHMSA-N 421.591 5.370 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1 13350062 XXUMHFQWWVCCMX-UHFFFAOYSA-N 401.491 5.590 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc3nc(NC(=O)CCC)sc3c2)cc1 17088944 KYCWCLYQXMONKT-UHFFFAOYSA-N 411.527 5.466 0 40 HKAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cccc(OCC(C)C)c3)nc12 17089662 SISVBRZUQFJLFU-UHFFFAOYSA-N 413.568 5.075 0 40 HKAB Fc1ccc(Nc2nc(NCc3ccccc3)nc3c2cnn3-c2ccccc2)cc1 17189449 ODXVTVUVQUPWKF-UHFFFAOYSA-N 410.456 5.310 0 40 HKAB COc1ccc(CCC(=O)N2CCC[C@H]2c2ccc(Cc3ccccc3F)cn2)cc1 19687950 RMSOIHVGLFXIHG-VWLOTQADSA-N 418.512 5.116 0 40 HKAB Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@@H]2CCCN2Cc2cnn(C)c2)n1 19692009 MPNYARDUCBMPET-QFIPXVFZSA-N 414.475 5.070 0 40 HKAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCCC4=CCCCC4)c(C)c3cc12 20427655 BYVXDDZLLHHCCT-UHFFFAOYSA-N 407.510 5.404 0 40 HKAB O=C1C[C@H](c2ccc(Cl)cc2)Cc2nc3nc(-c4ccc(Cl)cc4)nn3cc21 20632575 SSGVPJXQGRZVTO-CQSZACIVSA-N 409.276 5.011 0 40 HKAB CCOC(=O)C1=C(C)Nc2c(-c3ccc(Cl)cc3)c(C)nn2[C@@H]1c1ccc(C)cc1 20674242 IJAHBAFDCSUMKG-JOCHJYFZSA-N 421.928 5.672 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 22072736 VOKCSUJIMHQLRW-UHFFFAOYSA-N 410.663 6.177 0 40 HKAB CCOc1ccccc1-c1nc(CC(=O)N(CC)C23CC4CC(CC(C4)C2)C3)cs1 22240831 VTGGNNZCNNNCLW-UHFFFAOYSA-N 424.610 5.569 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)c1cccc(OCc2ccccc2Cl)c1 22258028 QTVUXMMJFVZYJQ-UHFFFAOYSA-N 413.904 6.838 0 40 HKAB CCOc1ccc(-c2cc3c(SCc4ccccc4F)nccn3n2)cc1Cl 23126603 LMSLGXOJHKKEEH-UHFFFAOYSA-N 413.905 5.880 0 40 HKAB Cc1ccc(OCCCn2cc(/C=C3\SC(=S)N=C3O)c3ccccc32)cc1 26712650 KDGJNQLETSOPEJ-MOSHPQCFSA-N 408.548 5.748 0 40 HKAB O=C1S/C(=C\c2cc(Cl)cc(Br)c2O)C(=O)N1c1ccccc1 27519499 UWKFSUZKPVWLGT-QPEQYQDCSA-N 410.676 5.049 0 40 HKAB CCc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)c(C)nn23)cc1 27585092 QACFXKAYDLQKAJ-UHFFFAOYSA-N 404.517 6.678 0 40 HKAB COc1cccc2c1N(C(=O)c1sc3nc(-c4ccco4)nc(C)c3c1C)CCC2 30574541 NSMYUCCCWACCFZ-UHFFFAOYSA-N 419.506 5.170 0 40 HKAB Cc1ccc2nc(-c3c(N)c(C(=O)c4ccc(Cl)cc4)n4ccccc34)[nH]c2c1 31848297 AJUYLUANDZHNBL-UHFFFAOYSA-N 400.869 5.258 0 40 HKAB Cc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccc(F)cc4)n3)n2)s1 32719619 YYGNNZYDOIAGGH-UHFFFAOYSA-N 415.540 5.624 0 40 HKAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N(Cc1c(F)cccc1Cl)C1CC1 40049080 SAZUPVZJFUMETJ-UHFFFAOYSA-N 405.945 5.072 0 40 HKAB O=C(Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F)c1cccs1 40134415 VOLPLFXIJJQTOZ-UHFFFAOYSA-N 408.376 5.411 0 40 HKAB COc1ccccc1CCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 44839589 PBTOCDUCAZQIIY-UHFFFAOYSA-N 421.562 5.229 0 40 HKAB O=C(Nc1cccc(Br)c1)c1ccc(CN2CCCc3ccccc32)cc1 44946591 KCCFIRQDDVENSZ-UHFFFAOYSA-N 421.338 5.654 0 40 HKAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)cc1 60033213 NNSPWPRQXZWFBM-OREJSRFESA-N 424.953 5.515 0 40 HKAB Cc1ccccc1-n1nc(-c2nc(-c3ccccc3Cl)no2)c2ccccc2c1=O 64950194 OGBKXGFCBUWTKW-UHFFFAOYSA-N 414.852 5.065 0 40 HKAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2)cc1 67257529 HQHWUXHEIJIYQA-UHFFFAOYSA-N 413.930 5.153 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2Oc2ccccc2)cc1 72212238 XLVYWLLUTYLFNM-QFIPXVFZSA-N 408.523 5.098 0 40 HKAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72214975 DZKFDPDPUUGDMF-SFHVURJKSA-N 419.566 5.695 0 40 HKAB Cn1cc(CNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(-c2cccnc2)n1 95996678 AMWXPCWSVIPROV-UHFFFAOYSA-N 400.326 5.132 0 40 HKAB Cc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)c1 100187043 MNRJSTJHKFIQKZ-CIMSBJEKSA-N 417.508 5.419 0 40 HKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1OCC 106698115 CEWYPBKSLFFJNR-MOSHPQCFSA-N 415.486 5.250 0 40 HKAB O=C(NC(=S)Nc1ccc(Cl)cc1)c1sc2cc(Cl)ccc2c1Cl 108927440 FAIKYTWTDNMANA-UHFFFAOYSA-N 415.754 5.988 0 40 HKAB CS[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 118932475 CSDNFDRMMGNTCT-BTGNDISDSA-N 416.759 8.759 0 40 HKAB CC(C)(C)[C@H]1CCc2[nH]nc(C(=O)Nc3ccc(OCc4ccccc4F)cc3)c2C1 141558908 WOVYVTIEYDRYHW-KRWDZBQOSA-N 421.516 5.531 0 40 HKAB O=C(c1ccc(Br)o1)N1CCS[C@H](c2ccccc2Cl)CC1 208046495 MJLQYPNPBFNQNL-AWEZNQCLSA-N 400.725 5.016 0 40 HKAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 214399935 PBGWLTPQWDNXLX-GIJQJNRQSA-N 417.317 6.020 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219387157 YOTTZOMBCSOGEQ-UYAOXDASSA-N 403.975 5.938 0 40 HKAB COc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC(C)C 222573890 QPWATDBZBYZVIB-AGRHKRQWSA-N 417.962 5.120 0 40 HKAB Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1Cc1ccccc1 222611283 XUEQYDRPRPVQGM-RTFZILSDSA-N 402.567 5.138 0 40 HKAB C[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)CCC2 223152143 LKKLEZPZFIEXPN-KRWDZBQOSA-N 421.993 6.612 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccc(C)c(C)c1 224297177 PPKVCMJOLFPUFY-GOSISDBHSA-N 423.940 6.035 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccccc1C 224379328 XJWJTYNKRKVYOG-NRFANRHFSA-N 417.549 5.724 0 40 HKAB O=C(c1ccc(-c2nc3ccccc3[nH]2)cc1)N(Cc1ccccc1)Cc1ccccc1 225258053 KWRMSYBFRBRMHA-UHFFFAOYSA-N 417.512 6.073 0 40 HKAB Cc1ccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC(C)C)cc1 225527617 GDZZPTMSZGRRBR-OAQYLSRUSA-N 422.613 5.167 0 40 HKAB Cc1cc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)ccc1Br 225576624 QMSCGANWLVLNAM-MRXNPFEDSA-N 405.361 5.346 0 40 HKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1ccc(F)c(Cl)c1 225831864 NYNMFPGOZFXGFQ-UHFFFAOYSA-N 421.859 5.767 0 40 HKAB CCc1cc(Br)cc(CC)c1NC(=O)COc1cccc2cccnc12 226095864 HYRNGZIKTBAYGO-UHFFFAOYSA-N 413.315 5.140 0 40 HKAB CC(C)n1cc(CN2CC[C@@H](c3c(C(N)=O)sc4ccccc34)C2)c2ccccc21 257208914 BOBCUECKGMMZJQ-QGZVFWFLSA-N 417.578 5.525 0 40 HKAB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C 257348735 IHNZLUIZUNADFX-HWWPOWIKSA-N 414.674 7.102 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2ccc(F)cc2)c1 408696947 CNYBPZVLOGOXDI-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB COc1ccc(/C=C(/C(=O)NCCSCc2cccc(C)c2)c2ccccc2)cc1 408927167 YMCDXUWXSYKDRX-XIEYBQDHSA-N 417.574 5.594 0 40 HKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)C1=O 409055848 LCSGOGAOVZONER-UNOMPAQXSA-N 419.905 5.895 0 40 HKAB COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Cl)c1OCc1ccccc1F 409112603 FCZMTBSDRWTEBR-YVLHZVERSA-N 409.844 5.559 0 40 HKAB COCCN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C1=O 409138926 JYVABUOSAUZBFM-PXLXIMEGSA-N 419.502 5.102 0 40 HKAB COc1ccc([C@@H](NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)C(C)C)cc1 604418504 FPZOAKSCSHFQDN-VXKWHMMOSA-N 406.530 5.205 0 40 HKAB COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1[C@@]12C[C]3C[C@@H](C[C@@H](C3)C1)C2 1560410173 BHCAKFJOGMGJHZ-POQZHJDJSA-N 411.521 6.640 0 40 HKAB CCc1nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2c2c1CCCC2 727467 HYSSILQTOUUEDV-UHFFFAOYSA-N 415.356 5.313 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccc(Br)c2)sc2c1CC[C@H](C)C2 1102463 IGAXBSQFTXHZID-NSHDSACASA-N 422.344 5.064 0 40 HKAB O=C(NCc1cccs1)c1ccc(Nc2ccc(Oc3ccccc3)cc2)nc1 1350484 IHWGSPJIIVCJDV-UHFFFAOYSA-N 401.491 5.609 0 40 HKAB Cc1cc(C)c2cc(CN(C(=O)Nc3ccc(F)cc3)C3CCCC3)c(=O)[nH]c2c1 1371240 SHNWBABMADJIEN-UHFFFAOYSA-N 407.489 5.261 0 40 HKAB CCOC(=O)c1c(NC(=O)CCCOc2cccc(C)c2)sc2c1CC[C@@H](C)C2 1773764 ZTZAGQNUBXURLU-MRXNPFEDSA-N 415.555 5.156 0 40 HKAB COc1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1OCc1ccccc1C 2082158 VBJQKSYQUDAXLE-FYJGNVAPSA-N 417.436 5.066 0 40 HKAB Cc1cc2c(cc1C)-c1c(ss/c1=N\c1cccc3ccccc13)C(C)(C)N2 2086117 XQJLOKFNVPMRRU-BZZOAKBMSA-N 402.588 7.140 0 40 HKAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccnc1Cl 2178132 DNKLQBUJXOYUQR-UHFFFAOYSA-N 400.290 5.917 0 40 HKAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc3c(C)c(CCC(C)C)c(=O)oc3c2)cc1 2202264 VEEYUETZAPXLOI-QGZVFWFLSA-N 423.509 5.105 0 40 HKAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCc3ccccc3C(F)(F)F)cc12 2316748 ZXRQZVLKVJCJCA-UHFFFAOYSA-N 420.427 6.505 0 40 HKAB Clc1ccc(-n2ncc3c2ncn2c(-c4ccc(Cl)cc4Cl)nnc32)cc1 2419031 FJTQNSZLPZNZEO-UHFFFAOYSA-N 415.671 5.090 0 40 HKAB COc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2Br)cc1OC 2887401 GZNZRPCEBHLFGN-UHFFFAOYSA-N 413.267 5.353 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2 3008382 VHVCJICEPDRJFI-UHFFFAOYSA-N 413.930 5.150 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)c4ccccc4)ccc3o2)cc1Br 3030249 GSSONFZQADYFQO-UHFFFAOYSA-N 423.266 5.518 0 40 HKAB COc1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(OC)c1 3290569 REJYLQKOGWJZLZ-UHFFFAOYSA-N 413.926 5.902 0 40 HKAB CC[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1ccccc1 3443867 DUQAMTBBEURZDH-CQSZACIVSA-N 405.338 5.779 0 40 HKAB Cc1ccc(NC(=O)CSc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 3581842 NTBBBNHYLUQTDQ-UHFFFAOYSA-N 420.965 6.382 0 40 HKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)[C@@H](/C=C/c1ccccc1)C(=O)c1ccccc1 3846291 SQYUSQQNCYCPRO-LNNULPDSSA-N 404.550 6.203 0 40 HKAB c1ccc(-c2[nH]c(-c3ccccc3)c(CN3CCCCC3)c2CN2CCCCC2)cc1 4015318 MBOPQAFMSHJHET-UHFFFAOYSA-N 413.609 6.321 0 40 HKAB CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)CSC3)CC1 4088800 KANMTZVTVSNGPM-UHFFFAOYSA-N 413.587 5.563 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccc4c(c2)OCO4)N3)C1 4554743 XRRDFPBFBZMZRB-PGVPZQPASA-N 424.566 5.788 0 40 HKAB Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)c1 4659758 GUWPTXLKIUFNGI-UHFFFAOYSA-N 406.485 6.167 0 40 HKAB CCCCCC[C@H](C)NC(=O)CCCC(=O)Nc1ccc(OCc2ccccc2)cc1 4681454 PEXHVXZMTZMZBT-NRFANRHFSA-N 424.585 5.850 0 40 HKAB COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)N(c2ccccc2)C3=O)cc1 4870811 PGPJWQDSUHSNJA-QHCPKHFHSA-N 415.880 5.489 0 40 HKAB COc1ccc(NC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)c(OC)c1 4971336 DUOCMJLUTKGCPW-UHFFFAOYSA-N 410.470 5.160 0 40 HKAB CCN1C(=O)c2cccc3c(NC(=O)c4cccc(Oc5ccccc5)c4)ccc1c23 4983891 AFYFLLNGRWTPFB-UHFFFAOYSA-N 408.457 5.865 0 40 HKAB CC(C)(C)OC(=O)NCCCCCc1nnc(SC/C=C/c2ccccc2)o1 5047355 ODNMSQNSYXCFLF-JLHYYAGUSA-N 403.548 5.113 0 40 HKAB CCCSc1nnc2n(CCC)c3c(c(=O)n12)C1(CCCCC1)Cc1ccccc1-3 5055099 DKCOLNZSLAGCIZ-UHFFFAOYSA-N 422.598 5.228 0 40 HKAB Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc3c(c1)OCO3)O2 5946718 QYAZPZSJUGNPES-WMZHIEFXSA-N 404.853 5.311 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(OC(C)C)cc4)ccc3o2)cc1C 6033462 CNQABDIKOCOHOY-UHFFFAOYSA-N 400.478 6.151 0 40 HKAB COc1ccccc1-c1nc(C(=O)NCc2ccc(C)cc2)cc2c1[nH]c1ccccc12 6076867 IUDJNCQZWSYDDM-UHFFFAOYSA-N 421.500 5.630 0 40 HKAB biogenic C[C@@H](c1ccccc1)n1c([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 7542740 DDUVYYFAVPOMBO-PKOBYXMFSA-N 415.924 5.820 0 40 HKAB CCc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1Cl 8339098 HNIZOXPSKMCVFU-UHFFFAOYSA-N 409.342 5.133 0 40 HKAB Cc1cc(OCC(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)ccc1Cl 8590873 PWNUZYDIUJUJMW-UHFFFAOYSA-N 405.885 5.518 0 40 HKAB aggregator COc1cc(C)c(NC(=O)CCCSc2nc3ccccc3s2)cc1OC 8709132 PYLDRLNRBRNWPB-UHFFFAOYSA-N 402.541 5.133 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1CCN(Cc2ccccc2)CC1 9062834 GNEKHXSXDQSKPZ-UHFFFAOYSA-N 420.940 5.983 0 40 HKAB CC(C)C(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 9260615 TWLLKUSOINVUDV-QHCPKHFHSA-N 424.504 5.466 0 40 HKAB O=C1c2n[nH]c(-c3ccccc3)c2[C@@H](c2ccccc2Cl)N1c1ccc(Cl)cc1 9358304 LNSSITDBOGZKRZ-JOCHJYFZSA-N 420.299 6.133 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)c1 10542822 IDTGIMIKVYGEQB-UHFFFAOYSA-N 413.926 5.902 0 40 HKAB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(c1ccccc1)c1ccccn1 12311530 ZEUQIEFKAYKXPS-UHFFFAOYSA-N 410.317 6.098 0 40 HKAB Cc1ccc(C)c(NC(=O)c2c(N)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)c1 12342025 AFKNMEUAPGGTPF-UHFFFAOYSA-N 417.896 5.275 0 40 HKAB Fc1ccc(Nc2nc3ccccc3nc2Nc2ccc(F)c(Cl)c2)cc1Cl 12360394 QXNBMJMLLGVNER-UHFFFAOYSA-N 417.246 6.702 0 40 HKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 12464430 OLWPOBZDVXVHOQ-ZDLGFXPLSA-N 422.333 6.019 0 40 HKAB CCOc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 13518332 IUHPTMZREPSSTH-QFIPXVFZSA-N 409.489 5.412 0 40 HKAB Cc1ccccc1OCCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 13648253 YSAAGIFEVABBQA-JOCHJYFZSA-N 412.577 6.774 0 40 HKAB O=C(N(Cc1ccccc1)Cc1ccccc1)N1c2ccccc2Sc2ccccc21 13717068 ALUHHVUVPPVPCI-UHFFFAOYSA-N 422.553 7.112 0 40 HKAB COc1ccc(-c2cn(CC(=O)c3ccc(C4CCCCC4)cc3)c3[n+]2CCC3)cc1 13778238 DYDPPIOTZBBMAF-UHFFFAOYSA-N 415.557 5.328 0 40 HKAB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc2ccccc12 16526252 LTQFTMDBVOCHEV-UHFFFAOYSA-N 422.513 5.510 0 40 HKAB Cc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)c2c3c(sc2n1)CCC3 16756533 KTKPEHKWAPGXMF-UHFFFAOYSA-N 423.485 5.238 0 40 HKAB Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c(O)c1 17092606 HPXNXLDPEAVGIZ-UHFFFAOYSA-N 421.305 5.394 0 40 HKAB CCc1ccccc1N/C=C1/C(=O)N(c2cccc(Cl)c2)C(=O)c2ccccc21 17886314 HQJMVHLVTVGKRO-RCCKNPSSSA-N 402.881 5.542 0 40 HKAB COc1cc(Cl)c(C)cc1NC(=O)CCc1sc(C)nc1-c1cccs1 19933132 GNYFVKVONNMVDQ-UHFFFAOYSA-N 406.960 5.722 0 40 HKAB Cc1ccccc1[C@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccccc1 20494108 QKBHRPVEPHFSSN-NTKDMRAZSA-N 407.941 5.938 0 40 HKAB Cc1nc(Nc2nc(C)c3ccccc3n2)nc2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 20634901 VDQAKLPUQMPPEP-HYSAVQALSA-N 421.504 5.239 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccc(Br)cc2[nH]1 20765342 PBWBCYRDPFNAEP-UHFFFAOYSA-N 410.724 5.018 0 40 HKAB C[C@@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)Nc1cc(F)ccc1F 22189188 LAZGLPSBRREFOE-GFCCVEGCSA-N 411.433 5.287 0 40 HKAB O=C(Oc1ccc(Cl)c2cccnc12)c1csc(COc2ccc(F)cc2)n1 29597873 UOJTUULKCFOYKT-UHFFFAOYSA-N 414.845 5.282 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)CCC[C@]4(C)[C@@H]3CC[C@@]21C 36371728 HYEIEAPRJMJEDC-IOBFFUQWSA-N 400.691 8.067 0 40 HKAB COc1ccc2c(c1)c(CN(CCCn1ccnc1)Cc1ccc(C)s1)c(C)n2C 36740425 FIFYIQASPPZLAY-UHFFFAOYSA-N 422.598 5.154 0 40 HKAB Cc1ccc(-c2nn(CN(Cc3ccccc3)Cc3ccccc3)c(=S)o2)cc1 55195696 XUBVSACACRSNFL-UHFFFAOYSA-N 401.535 5.841 0 40 HKAB COc1ccc(C2=C(CN(C)C)[C@H](Cc3ccccc3)c3ccccc3O2)cc1OC 71405265 DMSJJPVUPIAKFP-JOCHJYFZSA-N 415.533 5.395 0 40 HKAB COc1ncccc1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C(C)C)o1 72305885 IDGYOIWIAWUYQP-GOSISDBHSA-N 406.486 5.238 0 40 HKAB O=C(CCc1ccc(F)cc1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 72350365 QXPAEUGWFCHSIT-OAQYLSRUSA-N 420.503 5.289 0 40 HKAB Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN(C(=O)Cc3csc(C)n3)C2)n1 72354115 WBJAEBDSMQLXEA-QFIPXVFZSA-N 419.594 5.003 0 40 HKAB CC(C)CCC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 83260678 ZJIBAMHOAQWYSE-HCWIWGAASA-N 400.647 6.568 0 40 HKAB CC(=O)c1c(C)cc(C)c(C[S@@](=O)Cc2cc(Cl)c3c(c2)OCCCO3)c1C 84076882 DSGZMOJGWIOCGT-MUUNZHRXSA-N 420.958 5.078 0 40 HKAB Cc1noc(C)c1[C@H](C)C(=O)Nc1sc2c(c1C(=O)c1cccs1)CCCC2 89526217 FPRHTRDQJGWBDF-NSHDSACASA-N 414.552 5.266 0 40 HKAB CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OCC 222577657 XGYZBPHREDGDJU-BKTGTZMESA-N 417.962 5.122 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c2ccccc2O1 223650100 NMZLCGJICMEQCF-HNAYVOBHSA-N 403.975 6.019 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1cc(C)cc(C)c1C 224608861 CSPRCIIBWOYTMG-UHFFFAOYSA-N 407.485 5.981 0 40 HKAB Cc1ccc([C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1C 225279771 OQNREBSQHCCKEB-CEZZIEKDSA-N 404.535 5.013 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NCCSCc2cccc(C)c2)cc1Cl 225338744 UKAPWYVICMGVMS-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB S=C(NCCCOC1CCCCC1)Nc1ccc(CSc2ccccc2)cc1 225617373 SJAPCRPXVVVKCN-UHFFFAOYSA-N 414.640 6.005 0 40 HKAB CCCO[C@@]1(C(=O)Nc2ccc(OCCN3CCCCCC3)cc2)CCC[C@@H](C)C1 225663394 XZMQUOUHDWTXES-BWKNWUBXSA-N 416.606 5.255 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C(=O)OC 225762197 YNEYDUJPVBEANR-UHFFFAOYSA-N 413.489 5.242 0 40 HKAB O=C(CSCc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 225858598 NQNOUMAMRBXSQP-UHFFFAOYSA-N 410.351 5.384 0 40 HKAB O=C(O)/C(Cl)=C(/Cl)C=Nc1ccc(Oc2ccc(Cl)cc2Cl)nc1 257352869 NYIQQSLPBHLHKG-JROXTXAOSA-N 406.052 5.657 0 40 HKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260816760 PTUWNONDOSOZEY-HYBUGGRVSA-N 404.595 5.254 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408639873 GLQYHYACNOUIHG-VIFPVBQESA-N 418.107 5.292 0 40 HKAB COc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2C)n1 408696774 BRXDBPVVQFHHSY-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl 408917874 CFJNYPHLTGIGOE-UJKMTWAASA-N 420.295 5.390 0 40 HKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)NC(SCc2ccccc2)=N1 408985920 BLMYRQGAZOCLKP-QHCPKHFHSA-N 413.546 5.533 0 40 HKAB Cc1cccc(COc2ccc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)c1 409094406 FAFFORAWHZYSJB-LPYMAVHISA-N 418.880 5.325 0 40 HKAB CCCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 409099101 QEEDUNFXNGCUJP-UHFFFAOYSA-N 406.338 5.637 0 40 HKAB COc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1Cl 409112239 FMHMDPDXVOKASH-UHFFFAOYSA-N 416.348 6.810 0 40 HKAB Cc1c(C(=O)Nc2ccccc2)cnc2c(-c3ccccc3)c(-c3ccccc3)nn12 409224897 LINMNEGWAKIEES-UHFFFAOYSA-N 404.473 5.624 0 40 HKAB CCOc1ccc(-c2n[nH]cc2-c2nc(-c3ccc(Cl)cc3)no2)cc1Cl 575608819 ZGSMSSWQHHTCTD-UHFFFAOYSA-N 401.253 5.499 0 40 HKAB O=C(Nc1cccc(C2(C(=O)O)CCC2)c1)OCC1c2ccccc2-c2ccccc21 1535646067 QVUYXZYAGWFANH-UHFFFAOYSA-N 413.473 5.554 0 40 HKAB Cc1ccc(Oc2cccc(C(=O)N3C[C@@H](C(C)(C)C)O[C@H](C(C)(C)C)C3)c2)cc1 1889070284 NFQYMIQPAUIITK-GOTSBHOMSA-N 409.570 6.089 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)cc1 925168 XLFZCSPKTIFLBB-UHFFFAOYSA-N 413.546 5.201 0 40 HKAB Cc1ccc(SCC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 1010672 MVEQXDCWRRNVQC-UHFFFAOYSA-N 401.491 5.443 0 40 HKAB Cc1c(CNC(=O)c2ccc(F)cc2)c(-n2cccc2)n(Cc2ccccc2)c1C 1398794 LJRCEWICAIKNIT-UHFFFAOYSA-N 401.485 5.013 0 40 HKAB O=C1C(c2c[nH]c3ccc(Br)cc23)=Nc2ccc(Br)cc21 1686257 GJUIVHFZEJPUMO-UHFFFAOYSA-N 404.061 5.010 0 40 HKAB Cc1ccc(C)c(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 1804044 OFVPKCTZFODFAZ-UHFFFAOYSA-N 418.924 5.803 0 40 HKAB Clc1ccc(-c2nnc3sc(COc4ccc(Cl)cc4Cl)nn23)cc1 2212450 LKIQUCVNZARFFD-UHFFFAOYSA-N 411.701 5.392 0 40 HKAB COc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)c1 2216662 SCGOBCXUGXEJRA-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB aggregator Cc1cccc(O[P@](=O)(Oc2ccccc2)O[C@@H](c2ccccc2)C(F)(F)F)c1 2274987 NJUYNBCHRXCGCK-WRONEBCDSA-N 422.339 6.881 0 40 HKAB COC(=O)c1c(Nc2nc3ccccc3nc2N2C[C@@H](C)C[C@H](C)C2)sc(C)c1C 2280451 ZYBFZSAHTNBEPH-KBPBESRZSA-N 424.570 5.321 0 40 HKAB Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)o1 2315222 TXFZETDGZWFYOU-UHFFFAOYSA-N 415.320 6.414 0 40 HKAB CC(C)(C)OC(=O)NCCCCCc1nnc(SCc2ccc(Cl)cc2)o1 2422379 BABPHNFONGFABU-UHFFFAOYSA-N 411.955 5.253 0 40 HKAB O=P(Nc1ccc(F)cc1)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 2592974 DAXXRNHQCNSKIS-UHFFFAOYSA-N 412.184 6.811 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)OCc1cccnc1Sc1ccccc1 3105871 VGCQUCKXZIFNHF-UHFFFAOYSA-N 404.413 6.000 0 40 HKAB O=c1[nH]c(CSc2nnc(-c3cccs3)o2)nc2scc(-c3ccccc3)c12 3344260 JSMYFPXOGJIGDY-UHFFFAOYSA-N 424.532 5.055 0 40 HKAB COc1cc2c(cc1NC(=O)[C@@H](C)Sc1nc(C)c(C)c(C)n1)oc1ccccc12 3361239 YDACHGCMUOCSTM-OAHLLOKOSA-N 421.522 5.429 0 40 HKAB CSCc1c(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)oc2ccccc12 3403278 XIKDDCJBAUBFPH-UHFFFAOYSA-N 416.930 5.038 0 40 HKAB CCCN(CCC)c1nc(-c2ccccc2)nc2c1sc(=S)n2-c1ccccc1 3627797 DYRFKUPKQYSUNK-UHFFFAOYSA-N 420.607 6.505 0 40 HKAB O=C(c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12)C1CCCCC1 3655934 BBSMETNSNAXODT-UHFFFAOYSA-N 400.522 5.384 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@]5(C)CCC(=O)O5)[C@@]4(C)CC[C@@H]32)C1 4083693 ZSUHSKYVVTXINZ-GIEGYQJMSA-N 414.586 5.593 0 40 HKAB biogenic Cc1ccc(-c2csc(N(CCc3ccccc3)C(=O)c3ccccc3C)n2)cc1 4214817 RQZIQVNCIMVFKR-UHFFFAOYSA-N 412.558 6.316 0 40 HKAB CCOc1cccc2c1O[C@@H](c1ccc(Cl)cc1)N1N=C(c3ccccc3)C[C@H]21 4311916 MMERVNWSGQXRKE-QPPBQGQZSA-N 404.897 5.981 0 40 HKAB c1ccc(CN2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4cccs4)=NN23)cc1 4424543 BSDMCVCYKQSWCU-QFIPXVFZSA-N 415.562 5.284 0 40 HKAB O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC1CCCCC1 4657268 HAGVLFLMLOCDMJ-UHFFFAOYSA-N 413.465 5.077 0 40 HKAB COc1ccc([C@@H]2OC(C)=C(c3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 4658972 LOVDPPPXCAAJCG-VWLOTQADSA-N 401.462 5.197 0 40 HKAB CCOc1cccc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3ccc(F)cc3)C[C@H]21 4715733 RCKANDCEXXTAHE-QPPBQGQZSA-N 406.432 5.606 0 40 HKAB Cc1cccc(NC(=O)COC(=O)c2ccccc2-c2nc3ccccc3s2)c1C 4985231 SCTWNXPMGHIRDE-UHFFFAOYSA-N 416.502 5.376 0 40 HKAB COc1cc(C)c(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1C(C)C 5792826 GYCDXLZBTVFELP-GRSHGNNSSA-N 401.915 6.021 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1C(F)(F)F)c1ccccc1 5936582 ANCLIOKDMZTNSH-OAHLLOKOSA-N 412.411 5.449 0 40 HKAB CCN(CC)CCCNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 6085883 HEMBNHMUTIBGSL-UHFFFAOYSA-N 417.582 5.564 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc3n2CCCCC3)c2ccccc2)c1 6097033 OXLHTZCUGSYSBK-NRFANRHFSA-N 406.555 5.093 0 40 HKAB Cc1cccc(C)c1NCC(=O)Nc1ncc(Cc2c(Cl)cccc2Cl)s1 6161543 YPLFWKCHLYASRB-UHFFFAOYSA-N 420.365 5.708 0 40 HKAB CCCC[C@](CC)(CCCNC(=O)Nc1ccccc1)CNC(=O)Nc1ccccc1 6264638 VXOMZJSGOPHYHX-RUZDIDTESA-N 424.589 5.997 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)Cc1c(Cl)cccc1Cl 6468276 FNGJGPPNHDHUKP-QWQRMKEZSA-N 401.330 5.083 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(C(C)(C)C)cc2)N3)C1 6655308 BSRUSMMDPNGWOD-LAUBAEHRSA-N 410.627 7.016 0 40 HKAB CCOc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCc1ccc(Cl)cc1 7520643 LCVWUOXBKNSBPS-UHFFFAOYSA-N 403.994 6.622 0 40 HKAB O=C1c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H](c2cccc(F)c2)N1c1ccccc1 8715792 ZUOXJLUNHURXID-JOCHJYFZSA-N 403.844 5.619 0 40 HKAB O=C(OCc1cc(Br)cc2c1O[C@H](c1ccccc1)OC2)c1ccco1 9393432 SZUFNTVMRSXCRM-HXUWFJFHSA-N 415.239 5.007 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3cccc(Br)c3)o2)cc1 9513171 YLTGWBPFIIHUOT-UHFFFAOYSA-N 400.276 5.049 0 40 HKAB CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1SCc1ccsc1 9581585 NYJBMEJAHKVQLY-UHFFFAOYSA-N 410.589 5.922 0 40 HKAB COc1ccccc1-c1cc(=O)c2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2o1 9660207 HGYHOTOBWLBVML-UHFFFAOYSA-N 420.852 5.766 0 40 HKAB biogenic O=C(CSc1ncnc2sccc12)Nc1nc(-c2ccccc2Cl)cs1 9702588 YLHCLWGRVIEZEP-UHFFFAOYSA-N 418.956 5.199 0 40 HKAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc(Cl)c1Cl)O[C@@H](C)C2 12565061 XMRNUFCSVBMJSP-NWDGAFQWSA-N 409.313 5.155 0 40 HKAB Cc1nc(-c2ccc(CNC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)o2)cs1 12619119 WMOWNQYRBWIFIZ-SNVBAGLBSA-N 411.310 5.102 0 40 HKAB C[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1cc(F)c(Cl)cc1Cl 12689290 CCJKHLQVJYFQTG-AWEZNQCLSA-N 409.332 5.609 0 40 HKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ncc(-c2ccc(Cl)cc2)o1 12747917 WZCPMDMHMHPISJ-UHFFFAOYSA-N 424.715 5.372 0 40 HKAB COc1ccc(CN(Cc2ccncc2)Cc2c(F)cccc2Cl)cc1OC 13989932 VIFUQGSQASVIGL-UHFFFAOYSA-N 400.881 5.094 0 40 HKAB O=C(CN(Cc1ccco1)Cc1ccco1)N1c2ccccc2CCc2ccccc21 14255454 QMUAXXYMDNJVRO-UHFFFAOYSA-N 412.489 5.338 0 40 HKAB C[C@@H]1SC2(CCC(C(C)(C)C)CC2)N(c2ccc(Cc3ccncc3)cc2)C1=O 15413879 KGOJXVPPCUEVQF-HHIIEYADSA-N 408.611 6.073 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(SC(C)C)c4)cc3)sc2c1 15883829 YRSRFIZRZYMPSX-UHFFFAOYSA-N 418.587 7.025 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc2[nH]c(=O)[nH]c2c1 17089751 LQSXUINPYWEIMY-XBXARRHUSA-N 414.248 5.075 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 20051072 XYQDAHCNWIEDNY-UHFFFAOYSA-N 408.523 5.037 0 40 HKAB O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)c1cccc(F)c1 20530553 JSFKNUJJTZRXHD-UHFFFAOYSA-N 405.454 5.420 0 40 HKAB CCc1cc(=O)oc2cc(OCc3nc(-c4cccc(C(F)(F)F)c4)no3)ccc12 24982887 JFRXEDUDGUGSCD-UHFFFAOYSA-N 416.355 5.003 0 40 HKAB FC(F)(F)Oc1ccc(-n2c(-c3ccc(Br)cc3)c[nH]c2=S)cc1 26423115 HXBDCVQRERZWAX-UHFFFAOYSA-N 415.234 5.863 0 40 HKAB CCCCOc1cccc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)c1 27662489 ISLPUNOKVPIOTD-OAQYLSRUSA-N 400.588 5.274 0 40 HKAB Cc1ccc2c(C)c(C(=O)NC[C@@H](c3ccccc3)c3c[nH]c4ccccc34)oc2c1 27794287 JJINYQBPDACCJZ-QFIPXVFZSA-N 408.501 6.093 0 40 HKAB Cc1ccc(NC(=O)c2sc(COc3ccc4ccccc4c3)nc2C)cc1Cl 27912608 GMWZHEWFBWUHPW-UHFFFAOYSA-N 422.937 6.398 0 40 HKAB Cc1ccc(OC(=O)c2nc(SCc3ccc(Cl)cc3)ncc2Cl)cc1 28290480 ABUDVQFDRSHVHA-UHFFFAOYSA-N 405.306 5.603 0 40 HKAB COc1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1OCC(C)C 33530886 JZYUUQSIQVHIFA-ATVHPVEESA-N 411.523 5.745 0 40 HKAB COc1ccc(C2=NN3[C@H](c4ccc(F)cc4)Oc4c(OC)cccc4[C@H]3C2)cc1 36352155 RVQGFBUOVYBCBN-QPPBQGQZSA-N 404.441 5.085 0 40 HKAB Cc1ccc(-c2csc(C(=O)NCc3ccc4c(c3)OCO4)c2-n2cccc2)cc1 38486829 LPFZBJBXYRBCEE-UHFFFAOYSA-N 416.502 5.173 0 40 HKAB CCc1ccc(Cl)c(CC)c1NC(=O)NCC(=O)Nc1c(C)cc(C)cc1C 43388910 WPTVIQMVQSZMDJ-UHFFFAOYSA-N 401.938 5.150 0 40 HKAB O=c1[nH]n(C2CCCCCC2)c2c1[C@@H](c1ccc(Br)s1)CC(O)=N2 71283747 FLAPQHKPPCZCDG-LLVKDONJSA-N 410.337 5.019 0 40 HKAB O=S(=O)(c1ccc(F)cc1)c1cnc2cc(F)ccc2c1-c1ccc(Cl)cc1 71328632 LDYYLSZINRPCHM-UHFFFAOYSA-N 415.848 5.666 0 40 HKAB Cc1cc(-c2csc(Cc3n[nH]c(-c4ccccc4)n3)n2)c(C)n1CC(F)(F)F 72294559 JUDBFIDBFZBMBF-UHFFFAOYSA-N 417.460 5.167 0 40 HKAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)Cc4csc(C)n4)C3)c2)c1 72354116 FBLZZUZLAWPXIA-JOCHJYFZSA-N 419.594 5.003 0 40 HKAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72356482 QYELRSDFFQRSRW-HXUWFJFHSA-N 411.480 5.456 0 40 HKAB O=C(c1ccccc1)N1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358472 CNKTYGIEFRVDIH-GOSISDBHSA-N 411.427 5.182 0 40 HKAB CN(C(=O)Nc1ccccc1C(C)(C)C)[C@@H](c1ccc(Cl)cc1)c1cccnc1 84284583 PIHCTWUXQPHPTB-QFIPXVFZSA-N 407.945 6.286 0 40 HKAB Cc1cc2c(c(C(C)(C)C)c1)OC(=O)/C2=C1/C(=O)Oc2c1cc(C)cc2C(C)(C)C 101624400 PCMCFJZDBPZKJG-FMQUCBEESA-N 404.506 5.647 0 40 HKAB CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@]1(C)C[C@H]2NC(=O)N1c1ccc(F)cc1 101755222 SCQKEWIXWWJVFQ-NLFFAJNJSA-N 410.533 6.190 0 40 HKAB COc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl 107041725 WTCPJHADVQAAKR-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB Clc1ccc(NN=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 107685892 BWXLVPPSHUUOSM-UHFFFAOYSA-N 420.950 6.424 0 40 HKAB COc1cccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 107689685 YRRIFMCNRPVRRU-UHFFFAOYSA-N 411.335 5.344 0 40 HKAB CC(=O)O[C@@H]1C/C=C(\C)CCCC(C)(C)[C@@H](OC(=O)c2ccc(O)cc2)/C=C/1C 135867466 OLNKZJLTVQZYLK-PRTHMMDGSA-N 400.515 5.342 0 40 HKAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 219684174 LIQZAVHXDGGWDR-OAHLLOKOSA-N 424.294 5.086 0 40 HKAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(OC2CCCC2)cc1 219684702 MUCOCDYHUOREBQ-CQSZACIVSA-N 404.304 5.177 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 223029524 LMBZICSLFBCVDE-VXKWHMMOSA-N 403.950 5.718 0 40 HKAB COc1ccc(-c2nnc(NC(=O)CCc3ccc(-c4ccc(C)cc4)o3)s2)cc1 223045532 ONOYIEHLWHIXQV-UHFFFAOYSA-N 419.506 5.353 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccccc1C(C)(C)C 223714388 UOTRSXGCAOGHCP-HSZRJFAPSA-N 405.538 5.490 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1CSc1ccccc1 224325873 KDFSMDQVDWRCJM-UHFFFAOYSA-N 417.452 6.259 0 40 HKAB Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)c1ccc(C(F)(F)F)cc1 224336435 HNFIYHUZPXOYGM-UHFFFAOYSA-N 405.351 5.296 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccccc1 224362675 MSRKSJZCCIITIR-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB Cc1ccc([C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1C 225048760 YVIFHZBZTRDUMF-MIDMBNTASA-N 418.562 5.322 0 40 HKAB COc1cc(C)c(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1C(C)C 225670923 LJDUAEDTMDAQJX-UHFFFAOYSA-N 413.568 5.523 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(Br)cc1)CC(C)(C)O2 225681341 BSHIXXYNROCCOV-MRXNPFEDSA-N 421.360 5.047 0 40 HKAB COC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226334158 GDGATKZELFVORC-QPJJXVBHSA-N 416.098 5.521 0 40 HKAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)C[C@H]2NC(=O)OCC1c2ccccc2-c2ccccc21 242437458 CAJUEVWERQYXKM-QGDZQMKYSA-N 419.521 5.195 0 40 HKAB Cc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3CCC(C)C)n2)cc1 245180668 ZFPKOOIGWKSOBI-UHFFFAOYSA-N 420.538 5.093 0 40 HKAB CC(C)C(=O)N[C@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(F)c(Cl)c2)C1 257287069 POJGDGVUWYHBOU-TUNNFDKTSA-N 407.888 5.742 0 40 HKAB S=C(NCc1ccccc1)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 408572244 FUJNYNPACIDMIS-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB O=C(NCc1ccc(Cl)cc1Cl)C(=O)c1c(-c2ccccc2)cc2ccccn12 408619566 JDRYVNSPLQREFX-UHFFFAOYSA-N 423.299 5.412 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2cc(C)ccc2C)cc1 408696311 ZOOMLEJHLOGDHJ-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\C=C\c2ccccc2)C1=O 408804988 IDKMPERIGZFGSB-OBAWDWOASA-N 403.571 6.297 0 40 HKAB CCc1ccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 409119738 QDBNVQSLUKSABK-UHFFFAOYSA-N 404.312 6.886 0 40 HKAB Cc1ccc(COc2c(Cl)cc(CNc3ccc(C)c(Cl)c3)cc2Cl)cc1 409120213 VWNRTTFCPLZBDA-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB CCOC(=O)c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 409189045 HSQKPCOGJWDNMC-UIAACRFSSA-N 406.309 5.805 0 40 HKAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccc(OCc2ccccc2)c1 847529 YCXFHCBTNLXIOL-UHFFFAOYSA-N 420.472 5.252 0 40 HKAB COc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2)cc1 1030714 BOLVHMDECTUFRO-DEOSSOPVSA-N 416.908 5.618 0 40 HKAB biogenic Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1C1CCCCC1 1221522 VXYZXOHPDCPGRU-UHFFFAOYSA-N 420.582 5.413 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1)c1cccs1 1342614 NINQBDFAFZBRJS-UHFFFAOYSA-N 416.550 6.060 0 40 HKAB CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 1931428 VKZABHGGCKERSO-KRWDZBQOSA-N 417.933 5.792 0 40 HKAB COc1ccc(CCn2c(-c3ccc(C)cc3)nc3nc4ccccc4nc32)cc1OC 2253010 LDEILVMQVCWMPN-UHFFFAOYSA-N 424.504 5.215 0 40 HKAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(C)cc1 2369508 PXBLKWLLBSFBBD-FYBSXPHGSA-N 422.509 6.202 0 40 HKAB COc1ccc(C(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)cc1 2375934 IASFNEIQXORZSX-UHFFFAOYSA-N 404.491 5.257 0 40 HKAB CCOC(=O)c1sc2ncc(C(=O)c3cc(Cl)cc(Cl)c3O)cc2c1C 2633323 PSHWZEBXEZWHDD-UHFFFAOYSA-N 410.278 5.025 0 40 HKAB O=C(/C=C/c1ccc(Br)o1)OCC(=O)c1ccc(-c2ccccc2)cc1 3321100 GNYOVCGWCNKLBJ-ACCUITESSA-N 411.251 5.148 0 40 HKAB O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)C1(c2ccccc2)CC1 3417890 FLTYWKSEVILAKB-UHFFFAOYSA-N 401.944 5.154 0 40 HKAB O=C(Oc1ccc2oc3ccccc3c2c1)c1ccc2c(=O)n3c(nc2c1)CCCCC3 3419283 GGRVWTQJMIEUBQ-UHFFFAOYSA-N 424.456 5.242 0 40 HKAB COc1ccc(/N=c2\scc(-c3ccc(-c4ccccc4)cc3)n2CCCO)cc1 3669566 JATKALOKUUTTLU-QPLCGJKRSA-N 416.546 5.507 0 40 HKAB C[C@H]1C[C@@H](Nc2ccc(Br)cc2)c2ccccc2N1C(=O)c1ccccc1 4045131 MRAMZZXAPMWUNP-HRAATJIYSA-N 421.338 6.041 0 40 HKAB O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 4195743 JOOYPKRHTHZXRM-IZZDOVSWSA-N 409.272 6.454 0 40 HKAB CCCCOCCCNC(=O)C[C@@H](C)CC(=O)N(c1ccccc1)c1ccccc1 4700692 IPLAAMMCSXSEEZ-OAQYLSRUSA-N 410.558 5.091 0 40 HKAB Cc1cccc(C)c1Nc1c(-c2ccccc2F)nc2ccc(Br)cn12 4733577 MVGPEWQNZXUIPX-UHFFFAOYSA-N 410.290 6.263 0 40 HKAB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)C)cc2)c2ccccc21 4784243 XWJHBTQKEDKNJZ-HHHXNRCGSA-N 413.517 5.126 0 40 HKAB CC(C)c1ccc(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)cc1 5021711 BIYYDZGCHWCVCY-UHFFFAOYSA-N 402.498 5.235 0 40 HKAB COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(F)c2)c1 5164535 ZULZDMOXEVFFSM-JTHBVZDNSA-N 408.860 5.730 0 40 HKAB O=C1CS[C@@H](c2cccc(Oc3ccccc3)c2)N1c1nnc(-c2ccccc2)o1 5948125 WLKZDPIMEPGQGF-QFIPXVFZSA-N 415.474 5.308 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)ccc21 6123997 YYDIDMRKZBQAGC-OAHLLOKOSA-N 408.954 6.587 0 40 HKAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)cc1 6627293 SXIJLHQIBREYFI-UHFFFAOYSA-N 405.401 5.040 0 40 HKAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 6752972 NBQJZVACLFUVKM-FQEVSTJZSA-N 416.308 5.434 0 40 HKAB Cc1nnc(SCCSc2cccc(C(F)(F)F)c2)n1C1CCCCC1 6939762 ZQCLJWXZQOILAY-UHFFFAOYSA-N 401.523 5.995 0 40 HKAB C[C@H]1CCN(C(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)c2ccccc2S1 7985954 XGTNCRXWEGUSKF-QFBILLFUSA-N 423.607 5.351 0 40 HKAB C=Cc1ccc(CN2C(=O)N(c3c(C)cccc3C)S(=O)(=O)c3ccccc32)cc1 8024077 MCZUQBOVDVXPAW-UHFFFAOYSA-N 418.518 5.282 0 40 HKAB Cc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1I 8924082 SSUPRMMDYYTFOY-UHFFFAOYSA-N 412.079 5.220 0 40 HKAB COc1cccc(Oc2c(-c3ccc(OCc4ccccc4C)cc3O)n[nH]c2C)c1 8973161 XVNXBMLHZFEAJI-UHFFFAOYSA-N 416.477 5.779 0 40 HKAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)C(c1ccccc1)c1ccccc1 9404538 UZNAVFAQADJUHI-UHFFFAOYSA-N 420.537 6.319 0 40 HKAB Cc1cc(C)cc(OCC(=O)Oc2cc(-c3ccccc3)c3oc(=O)sc3c2)c1 9408842 KKWSUFHFCLHWJT-UHFFFAOYSA-N 406.459 5.123 0 40 HKAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Br)cc1)c1ccccc1 9449411 QDNKZQOANPGFJH-UHFFFAOYSA-N 420.262 5.475 0 40 HKAB CCCn1c(NC(=O)c2ccccc2SCc2c(C)noc2C)nc2ccccc21 9592945 CVHMOISUTZEVNP-UHFFFAOYSA-N 420.538 5.596 0 40 HKAB Cc1cc(I)ccc1NC(=O)CCc1ccc(C(C)(C)C)cc1 10325741 LJWBSUFJKRPFCV-UHFFFAOYSA-N 421.322 5.468 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)/C=C/c1ccc(-c2ccccc2F)o1 10540891 NHUHADWAHXQEDK-FYWRMAATSA-N 401.441 5.540 0 40 HKAB C[C@@H](NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 12535717 LMEIXNFWUHXPLD-CHWSQXEVSA-N 406.864 5.548 0 40 HKAB C[C@H](NC(=O)N(C)[C@H](C)c1cc2ccccc2o1)c1nc2ccccc2n1C(F)F 12535777 PQFSLMHKHHRNSG-UONOGXRCSA-N 412.440 5.641 0 40 HKAB COc1cc(/C=C2/C(=O)Nc3cc(Cl)ccc32)ccc1OC(=O)c1ccc(F)cc1 12635027 OPPWVXUKQJZHGX-VCHYOVAHSA-N 423.827 5.200 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)CCn1nnc(-c2ccc(Cl)cc2)n1 12769229 HBRSRPKYVNCLDO-UHFFFAOYSA-N 411.937 5.269 0 40 HKAB C[C@H](NCc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1)c1ccc2c(c1)CCCC2 12819871 ZLFWQQIZAJCNNA-INIZCTEOSA-N 415.562 5.381 0 40 HKAB C[C@@H](OC(=O)c1ccc2ccccc2c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 13148549 UECCNJBZJPJZLE-GFCCVEGCSA-N 421.802 5.696 0 40 HKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 13710803 HJBNYQLNWGDVID-KRWDZBQOSA-N 407.897 5.594 0 40 HKAB O=C(NCc1ccncc1)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2 14212656 UZRNRVOQMKVEQF-SDXDJHTJSA-N 411.530 5.498 0 40 HKAB COc1ccc(-c2cc(OCC(=O)Nc3ccccc3F)c3ccccc3n2)cc1 16843080 CQUVDXNPDYBCNJ-UHFFFAOYSA-N 402.425 5.067 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 17090213 AKSQAKLPKYEELB-UHFFFAOYSA-N 415.276 5.507 0 40 HKAB Cc1ccccc1-c1ncc(CN[C@H](Cc2ccsc2)c2ncccc2C)cn1 19237563 VGOSKULJDSMIHM-JOCHJYFZSA-N 400.551 5.291 0 40 HKAB CCc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2CC(=O)O)cc1 19894589 BHRBPYLTYSGRTH-UHFFFAOYSA-N 406.429 5.762 0 40 HKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20044296 QGJJHKBVHDHDNH-XMMPIXPASA-N 400.522 6.227 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)cc3)o2)cc1Cl 20140345 FUMDMNDMOISRAP-UHFFFAOYSA-N 407.853 5.913 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)N1CCCCC1 20490206 URIIQTNXPFSUTB-HSZRJFAPSA-N 416.521 5.262 0 40 HKAB COc1ccc([C@H](C)NC(=O)N2c3ccccc3Sc3ccccc32)cc1OC 22531301 UHAMBCOFCMGJLR-HNNXBMFYSA-N 406.507 5.777 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN4CCc5sccc5[C@@H]4C)[nH]c(=O)c23)cc1 23956245 DEEPDJUQCGWTKK-AWEZNQCLSA-N 421.591 5.449 0 40 HKAB Cc1ccc2nc(NC(=O)c3ccccc3OCc3cn4ccccc4n3)sc2c1 29852045 UYHFEVYSUCESID-UHFFFAOYSA-N 414.490 5.084 0 40 HKAB CCOc1cc([C@H]2Nc3cc(Cl)ccc3-c3ccnn32)cc(Br)c1O 30952926 OEQOBAVXCQOUOL-SFHVURJKSA-N 420.694 5.043 0 40 HKAB Cc1cc(F)ccc1NC(=O)c1ccccc1OCc1nc(-c2ccccc2)no1 32578743 SRPQSKSXEYUCGO-UHFFFAOYSA-N 403.413 5.015 0 40 HKAB CCCCC1CCC(C(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)CC1 32594124 SQRPKICJSUEQQP-UHFFFAOYSA-N 403.526 6.339 0 40 HKAB CCCCCCC(C)(C)c1cc(OC)c([C@@H]2C=C(CO)[C@@H]3C[C@H]2C3(C)C)c(OC)c1 33821982 CFMRIVODIXTERW-BHIFYINESA-N 414.630 6.630 0 40 HKAB in-vivo COc1c(Br)cc(CNc2ccc(F)c(Cl)c2)cc1Br 35018419 SKDWPVLNQHASRO-UHFFFAOYSA-N 423.507 5.625 0 40 HKAB Cc1cccc2cc(-c3nc4ccc(Cl)cn4c3NCc3ccco3)c(=O)[nH]c12 35312116 HFRWCBQGBZIVQX-UHFFFAOYSA-N 404.857 5.010 0 40 HKAB Cc1ccc(CNC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)cc1 40114731 FGSHGSBCNBISEO-UHFFFAOYSA-N 416.905 5.340 0 40 HKAB O=C(OCc1nc(-c2ccc(Br)cc2)no1)c1cccc2ccccc12 51315163 AWXQEONRNUMTIJ-UHFFFAOYSA-N 409.239 5.009 0 40 HKAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 57774980 FGHGDRZIFBGWMV-HXUWFJFHSA-N 417.513 5.354 0 40 HKAB CN(C(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccc(Oc2ccccc2)cc1 58023910 LCFFUITWBYOWAG-UHFFFAOYSA-N 404.491 5.190 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 59477541 WFEJBHKPTNJTEQ-BMRADRMJSA-N 415.876 7.044 0 40 HKAB CCCCOc1ccc(-c2cc(C(=O)Nc3c(Cl)cccc3Cl)no2)cc1 61997096 YGQNNOIDUAHEOA-UHFFFAOYSA-N 405.281 6.080 0 40 HKAB Cc1cccc(-c2csc(C(=O)Nc3ccc(C)c(Cl)c3)c2-n2cccc2)c1 64872286 BQPCMJORMLCODM-UHFFFAOYSA-N 406.938 6.728 0 40 HKAB CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc12 65033815 LWBKFDMFTGLFEK-UHFFFAOYSA-N 412.445 5.282 0 40 HKAB Cc1ccc(C)c([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 67321520 KRYSMUHJOXJMMU-BKMJKUGQSA-N 412.489 5.317 0 40 HKAB COc1ccc(CCC(=O)N2CCC[C@H]2c2cccc(Cc3ccc(C)cc3)n2)cc1 72357890 VLAHSAOJFUQRTH-SANMLTNESA-N 414.549 5.286 0 40 HKAB Cc1cc(CNCCc2nncn2C(C)C)cc(C)c1OCc1ccccc1Cl 78823168 HRTIEAMFZBOZCV-UHFFFAOYSA-N 412.965 5.041 0 40 HKAB CCn1nc(C)cc1C(=O)Nc1cc(C(F)(F)F)ccc1NCc1ccccc1 79096641 MBWBKIHNURWVJZ-UHFFFAOYSA-N 402.420 5.095 0 40 HKAB COC(=O)N1CCCc2cc(NC(=O)CC34CC5C[C@@](C)(C3)C[C@@](C)(C5)C4)ccc21 100228178 KXTKHVFTXXIWNP-JNHGRPLXSA-N 410.558 5.531 0 40 HKAB O=C(Nc1ccc(C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)cc1)C12CC3CC(CC(C3)C1)C2 100845832 DWYLZRXNGARHNX-IVKLLASESA-N 424.028 6.671 0 40 HKAB CC(C)c1ccc(NC(=O)CN2C(=O)CC(c3ccccc3)=Nc3ccccc32)cc1 101976273 YBZXJIZZLFXVTD-UHFFFAOYSA-N 411.505 5.306 0 40 HKAB Clc1ccccc1COc1ccc(CNc2ccc(Br)cc2)cc1 107030993 JZLODUPWDOLBQE-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB CCCCC[Sn](CCCCC)(CCCCC)CCCCC 195769999 JEHHMOWXLBXVHN-UHFFFAOYSA-N 403.283 8.196 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 219770206 WDEPDTVDGSAXCW-UHFFFAOYSA-N 423.896 5.656 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccccc1C(C)(C)C 224169059 HSVZXEIWTCSODY-UHFFFAOYSA-N 423.940 6.477 0 40 HKAB CCOc1ccc(C(=O)NCc2ccccc2)cc1COc1ccc2ccccc2c1 224638591 IYXUYWVSENDZNR-UHFFFAOYSA-N 411.501 5.748 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)NCC1(c2ccccc2)CCOCC1 224695243 QZWRIWVVBNFLJL-UHFFFAOYSA-N 403.975 5.077 0 40 HKAB CCOc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1COC(C)C 224722295 UXPWOZXNMCHZDP-UHFFFAOYSA-N 403.522 5.530 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3Cl)o2)c1 224899414 NAUDCGMWSGRMSM-UHFFFAOYSA-N 404.853 5.923 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)NCCSCc2cccc(Cl)c2)c1 225300261 BMHSPSKRBBUFBS-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB CC(C)Oc1ccc(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)c2ccccc12 225925172 GWERPSITTCXHOR-UHFFFAOYSA-N 420.509 5.271 0 40 HKAB COC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc(Br)cc1)N2 247841760 OIBDONHXDQCDTE-IFCUIPEHSA-N 412.327 5.532 0 40 HKAB Cc1cc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)ccc1Br 408594170 GMZYTRXAVMCTIT-UHFFFAOYSA-N 418.143 5.191 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2cccc(Cl)c2)o1 408619446 CCHNZSJRNHXGFL-UHFFFAOYSA-N 400.183 6.525 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccc(C)c(Cl)c2)c1 408699419 UDJLVDLCSITNCT-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1Br 408825284 RVJKLDDKTBWEFL-UHFFFAOYSA-N 423.719 5.487 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2nc(-c3cccs3)c(-c3ccccc3)s2)cc1 409054966 OSRISWIIGYQJJI-UHFFFAOYSA-N 418.587 7.088 0 40 HKAB CCOc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1ccccc1F 409115133 KJRRVOJXHKQOAW-UHFFFAOYSA-N 413.920 6.686 0 40 HKAB COc1ccccc1OCc1ccc(C(=O)OCc2ccc(Cl)cc2Cl)cc1 409179915 PVFKVUPNCPTUME-UHFFFAOYSA-N 417.288 5.938 0 40 HKAB Cc1cc(C)c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c(C)c1 409407971 BFODUXKCDWDDAL-XMMPIXPASA-N 420.534 5.231 0 40 HKAB S=C(Nc1ccccc1Cl)c1c(Nc2ccccc2)n[nH]c1Nc1ccccc1 575442847 GGQRBNJRBFCXCZ-UHFFFAOYSA-N 419.941 6.338 0 40 HKAB Cc1ccc(OCc2nc(CC(C)C)c(-c3cccc(Cl)c3)cc2C(=O)O)cc1C 585265433 PROYZWKLIDYSFQ-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB CC[C@H](C)CN(C)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12 606197434 IMBNBFZYNDYYFS-LBPRGKRZSA-N 405.420 5.335 0 40 HKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)c(C)c1 969087 QLFZCTOXZPAAFE-UHFFFAOYSA-N 422.337 5.699 0 40 HKAB COc1cccc(C(=O)c2sc3nsc(SCc4ccccc4)c3c2N)c1 1036459 SXJTZXYFZGQEMK-UHFFFAOYSA-N 412.561 5.472 0 40 HKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)n2c(nc3ccccc32)N1 1068700 IEJYJXLEQUZQJQ-RUZDIDTESA-N 422.532 6.087 0 40 HKAB COc1ccc(NC(=O)c2sccc2SCc2cccc(C(F)(F)F)c2)cc1 1393151 AIHKWIXQHKFLRS-UHFFFAOYSA-N 423.481 6.320 0 40 HKAB COc1cc(/C=C/C(=O)Nc2nc3c(C)c(C)ccc3s2)ccc1OCCC(C)C 1792033 MWZRXNIPXVPHQG-DHZHZOJOSA-N 424.566 5.999 0 40 HKAB COc1ccc2c(c1)c(C(=O)CN1C[C@@H](C)C[C@H](C)C1)c(C)n2Cc1ccccc1 2249670 FXYHGMRVYYMCIG-OALUTQOASA-N 404.554 5.167 0 40 HKAB CC[C@@H](C)COC(=O)c1c(N)n(-c2ccc(C)c(Cl)c2)c2nc3ccccc3nc12 2263964 RBNLEWCIJCMUSM-CYBMUJFWSA-N 422.916 5.321 0 40 HKAB CC(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4cccc(Cl)c4)nc3C2)cc1 2413358 BBCYDRVJGZJLDZ-GOSISDBHSA-N 419.912 5.418 0 40 HKAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc2c1CCCCCC2 2745657 UZXPZVRSUBJLDQ-NTCAYCPXSA-N 413.539 5.244 0 40 HKAB CCOC(=O)c1sc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)nc1C 2760161 CFDWLJBDPSHDGN-GOSISDBHSA-N 412.536 5.100 0 40 HKAB O=C(Nc1ncc(Cc2ccc(SC(F)F)cc2)s1)c1c(F)cccc1F 3195629 YCEKJLXVBCUNSE-UHFFFAOYSA-N 412.433 5.579 0 40 HKAB O=C(O[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1)c1ccco1 3240937 CVCYCUVXRAPPET-KRWDZBQOSA-N 423.774 5.489 0 40 HKAB CC(C)(C)c1ccc(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1 3259850 GBSNSZXJRKOFDR-UHFFFAOYSA-N 415.473 7.702 0 40 HKAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1c(Cl)cccc1Cl 3322454 VTQYZCMKMILGBX-QFIPXVFZSA-N 424.283 6.256 0 40 HKAB O=C(c1ccccn1)N(c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2s1 3330217 XKIFZJUWDJBGMQ-UHFFFAOYSA-N 423.497 6.462 0 40 HKAB O=C(Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12)c1ccco1 3655409 GYEXKRITMUDRKI-UHFFFAOYSA-N 410.223 5.272 0 40 HKAB O=C(c1ccccc1)c1c(-c2ccccc2)n(Cc2ccccc2)c2ccc(O)cc12 3664928 QVHUBEHKPSAMFB-UHFFFAOYSA-N 403.481 6.293 0 40 HKAB O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)N1CC[C@@]2(O)CCCC[C@H]2C1 4073500 VXLZFOGJWKLCAK-BVZFJXPGSA-N 420.940 5.322 0 40 HKAB biogenic Cc1ccc(-c2nnc(CSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)o2)o1 4632199 YAYBRPHWUUTKRJ-UHFFFAOYSA-N 414.490 5.987 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3cccs3)C[C@H]21 4715721 UPPKTVKHZPEGSO-XMSQKQJNSA-N 410.926 6.043 0 40 HKAB CCc1cc2cc(C)cc(C)c2nc1SCC(=O)Nc1cc(OC)ccc1OC 4849495 XGYCCDJVMYDMSZ-UHFFFAOYSA-N 410.539 5.162 0 40 HKAB CC(=O)N1N=C(c2ccccc2Cl)O[C@H]1c1cccc(OCc2ccccc2)c1 4893591 FWWPOYVPSVEXFQ-QHCPKHFHSA-N 406.869 5.158 0 40 HKAB Cc1ccc(-c2nc(SCC(=O)NC3CCCCCC3)c3ccccc3n2)cc1 4895086 PSCQRDLNBRXSHQ-UHFFFAOYSA-N 405.567 5.536 0 40 HKAB CCC1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(OC)cc3)=NN12 5016896 QOJPIQYNVLYOHE-OOEWLZKVSA-N 410.945 6.189 0 40 HKAB CCCCCC(=O)NC(=S)Nc1cc(C)c(O)c(-c2nc3ccccc3s2)c1 5946115 AUANEXQPTFOBMI-UHFFFAOYSA-N 413.568 5.371 0 40 HKAB CCCCCOc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccccc2Cl)c(O)c1 6144046 QVYLRVHOHBSHMM-UHFFFAOYSA-N 424.850 6.691 0 40 HKAB CCCCOc1ccc(NC(=O)CSCC(=O)c2ccc(OC(C)C)cc2)cc1 6651591 PYVTVDNEWZOHRU-UHFFFAOYSA-N 415.555 5.207 0 40 HKAB COc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3c2ccc2ccccc32)cc1 6973443 CHXSNLQXHVKISD-UHFFFAOYSA-N 411.892 5.936 0 40 HKAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc(N2CCCCC2)cc1 7493721 VCBSKDGINKAMIK-NRFANRHFSA-N 420.582 5.062 0 40 HKAB CCc1nnc(S/C(=C\c2ccccc2OCc2cccc(Cl)c2)C(=O)O)o1 7508553 QSQPOQRAJRMLAD-BOPFTXTBSA-N 416.886 5.082 0 40 HKAB O=C(CSc1nc2cc(C(F)(F)F)ccc2s1)c1ccc2c(c1)CCCC2 7871182 CCHOUWIJXGIZBZ-UHFFFAOYSA-N 407.482 6.169 0 40 HKAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3Cl)cc2)cc1C 8195574 CHYOOVBWFVSELX-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccccc3Cl)cc2O)cc1 9130042 RWRBRVZXBYYPJA-UHFFFAOYSA-N 421.880 6.264 0 40 HKAB biogenic COc1cccc2cc(C(=O)Nc3nc(-c4cc5cccc(OC)c5o4)cs3)oc12 9133813 HOFIMJUZUAXBOJ-UHFFFAOYSA-N 420.446 5.572 0 40 HKAB CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)c2ccccc2)cc1 9250240 BPXYVOLBKZPEMC-UHFFFAOYSA-N 404.535 5.488 0 40 HKAB COc1ccc(Nc2nc(CSc3nnc(Cc4ccccc4)o3)cs2)cc1 9338696 LVQVQODUONUAJT-UHFFFAOYSA-N 410.524 5.161 0 40 HKAB CCOc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3ccc(C)c(C)c3)C[C@H]21 10216187 VJLIFRAZSSOQHT-QPPBQGQZSA-N 404.535 6.006 0 40 HKAB Clc1ccc(COc2ccccc2CNCc2ccc3c(c2)OCO3)c(Cl)c1 12375526 OMHZVGXZNVTFQL-UHFFFAOYSA-N 416.304 5.591 0 40 HKAB Cc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCC3)c2c1 12437841 FPYZZVDKGLVBSK-UHFFFAOYSA-N 400.931 5.020 0 40 HKAB O=C(c1ccccc1F)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 12469184 OYRYLGYTOBOEAU-UHFFFAOYSA-N 422.912 6.450 0 40 HKAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)N(Cc1ccccc1)Cc1ccco1 12548165 AJFKTHUUTANMJR-UHFFFAOYSA-N 411.914 5.130 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@H]1CCCN(C(=O)c2ccco2)C1 14252935 HZYUVVGDSGUNMB-INIZCTEOSA-N 424.884 5.216 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 14833522 AOTVXKKNKPXZEC-MAUBAPBLSA-N 404.897 5.483 0 40 HKAB Cc1ccc(C)c2sc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 17090980 JOQXJAWQGKNCMN-UHFFFAOYSA-N 417.317 6.732 0 40 HKAB CCn1c(COc2cccc(C)c2)nnc1SCc1csc(-c2ccccc2)n1 17093261 PGMOQPIHFNZAKW-UHFFFAOYSA-N 422.579 5.601 0 40 HKAB CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 17093723 IEUUQJBZILEKAT-ACCUITESSA-N 423.896 6.127 0 40 HKAB Nc1c(C(=O)c2ccccn2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 19074880 RENULANNZNTCBN-UHFFFAOYSA-N 407.498 5.839 0 40 HKAB COc1ccc(CCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1OC 20037156 QVSSVPCCZOWOBD-UHFFFAOYSA-N 419.565 5.743 0 40 HKAB COc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 20140082 IHGUZSJIPVCTLK-UHFFFAOYSA-N 406.221 5.213 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20144757 PXDDTLPAAKZGHL-UHFFFAOYSA-N 420.292 5.542 0 40 HKAB CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1NCc1ccc(Cl)cc1 20385804 FXYMAPBIMLBXLA-UHFFFAOYSA-N 408.807 5.696 0 40 HKAB CC(=O)C[C@@H](c1ccccc1)c1c(O)c2cc(OCc3ccccc3)ccc2oc1=O 22051434 ZYPCRNWFEICXBH-NRFANRHFSA-N 414.457 5.189 0 40 HKAB in-vitro Cc1ccc(-c2nnc([C@H](C)Sc3nc(-c4ccco4)nc4ccccc34)o2)cc1 22188879 UUIGHSSRKFSZQK-HNNXBMFYSA-N 414.490 6.102 0 40 HKAB O=C(c1ccc(F)c(F)c1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 25130459 HPEQOFSSQMAKGO-QPJJXVBHSA-N 407.416 5.096 0 40 HKAB Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=C2\N=C3CCCCCN3C2=O)cc1 26441910 UDTQWVJEPZCKBV-QJOMJCCJSA-N 424.500 5.523 0 40 HKAB CCCCc1ccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 30938204 PAXFDBWEDQARKP-SFHVURJKSA-N 419.396 6.187 0 40 HKAB Fc1ccc(-c2nnc(SCc3cccc(Cl)c3)n2C[C@H]2CCCO2)cc1 32604418 KTAXJARIBKWSGM-GOSISDBHSA-N 403.910 5.209 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C 32901287 GDUKDVUULRXZJG-UHFFFAOYSA-N 413.886 5.482 0 40 HKAB Fc1cc2c(c(CN3CCC[C@H](C(F)(F)F)C3)c1)O[C@@H](c1ccsc1)OC2 34868047 XPUAMBZGQNYXQP-YJBOKZPZSA-N 401.425 5.269 0 40 HKAB Cc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c(Cl)c1 36476277 SVZUOYDCZLQZNB-FQEVSTJZSA-N 402.972 5.358 0 40 HKAB CN(CCOc1ccc(Cl)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 39538871 ALIIVIRVIHTABU-UHFFFAOYSA-N 419.308 5.118 0 40 HKAB Cc1ccc(-c2nc(CC(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)cs2)o1 40073431 URYNGAPCZJSTSX-UHFFFAOYSA-N 414.490 5.436 0 40 HKAB Cc1cc(OCc2nc3ccccc3n2CC(=O)Nc2ccc(F)cc2)ccc1Cl 40301077 ZCPSRILXYGOJMR-UHFFFAOYSA-N 423.875 5.355 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 44840457 XHGLJKIAFXYRSI-RPWUZVMVSA-N 405.538 5.909 0 40 HKAB C[C@H]1CCCN(c2ccc(NCc3cc4cc(C(C)(C)C)ccc4[nH]c3=O)cc2)C1 57712674 PMYBOPZPXAHQIR-SFHVURJKSA-N 403.570 5.674 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccccc2SC(F)(F)F)c1 58163082 HRISDJNALDNVDF-UHFFFAOYSA-N 422.428 5.735 0 40 HKAB Cc1csc(-c2ccc(C(=O)O[C@@H](c3cccc(F)c3)c3ccccn3)cc2)n1 65577778 IUCFVGQQOYLCFL-NRFANRHFSA-N 404.466 5.599 0 40 HKAB CSCC[C@@H](C)N(C)CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 72290445 HRVLHIPDPIWYIQ-MRVPVSSYSA-N 404.190 5.312 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(I)c1 100448772 DXNJWLNARAOYDO-UHFFFAOYSA-N 415.230 5.336 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(NC(=O)Nc5nc6ccccc6s5)(C4)C2)C3)cc1 100528653 BENZZHQBODYQQS-RIZNVZOMSA-N 417.578 6.017 0 40 HKAB C1=C[C@H]2C[C@H]1C[C@H]2CN1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1 100862718 HRDKAWLNZHWKTJ-QKDODKLFSA-N 400.610 5.408 0 40 HKAB O=C(NCc1cccnc1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 101283274 HSJXOMZEPTVVQC-ZBCVKJESSA-N 409.533 5.308 0 40 HKAB O=C(c1ccccc1)c1ccc2c(c1)N=C1CCCC(O)=C1[C@H]1c3ccccc3C(=O)N21 101695538 LEESQCZPCZPWQC-RUZDIDTESA-N 420.468 5.701 0 40 HKAB C[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 102260225 HFRNHJYJVOKNSJ-FYPPRMCUSA-N 424.972 5.142 0 40 HKAB OC1=C2C(=Nc3ncnn3[C@H]2c2cc(F)cc(F)c2)C[C@H](c2ccc(Cl)cc2)C1 102659469 KBYWHJVQVSLUBV-YUNKPMOVSA-N 412.827 5.275 0 40 HKAB CSc1ccc([C@H]2C3=C(O)C[C@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc1 102719258 ZBZKCFFLCDCYOC-OPAMFIHVSA-N 418.518 6.018 0 40 HKAB Cc1ccc(N2C(=O)/C(=C/Nc3ccc(F)c(Cl)c3)c3ccccc3C2=O)c(C)c1 103005172 QSGVJPXZOOUMQZ-CPNJWEJPSA-N 420.871 5.736 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2F)cc1)[C@@H]1CC(c2ccccc2Cl)=NO1 141581658 LMFKIBNNSMUSSX-QFIPXVFZSA-N 424.859 5.190 0 40 HKAB CC1(C)[C@@H](O)CC[C@@H]2[C@H]3CC=C4[C@@H]5CCCC[C@]5(C(=O)O)CC[C@@]4(C)[C@@H]3CC[C@H]21 216647168 YPYLOUYGRALXLC-CTQGRPCZSA-N 400.603 5.817 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(Br)cc1F 222687503 QMUCVUKCCDSQLN-UHFFFAOYSA-N 402.716 5.753 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)cc1 223022496 PZENFMQUXLBQBO-FQEVSTJZSA-N 403.906 5.401 0 40 HKAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1cccc(C)c1 224381361 OPWXEJGZJPZLLD-UHFFFAOYSA-N 409.913 5.556 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1CSc1ccc(C)cc1 224661627 CNGDCOPAAJAJHO-UHFFFAOYSA-N 419.590 7.062 0 40 HKAB CCOc1ccc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1OCC 225529272 ZSUGEQJMAACRLH-UHFFFAOYSA-N 414.571 5.292 0 40 HKAB CC(C)Oc1cccc(CCCNC(=S)Nc2ccc(Br)cc2)c1 225564318 PFXZMMOXSFSVHB-UHFFFAOYSA-N 407.377 5.156 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)ccc1OC(C)C 225683189 QQSMLAGXZQTFAE-UHFFFAOYSA-N 413.489 5.240 0 40 HKAB Cc1cccc(CCC2(NC(=S)Nc3cccc(Br)c3)CCCC2)c1 225845902 BCJFCBQFWFPQIP-UHFFFAOYSA-N 417.416 5.990 0 40 HKAB CC(C)Oc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)c2ccccc12 225934792 ZFMKKHNSHGDCGY-UHFFFAOYSA-N 409.529 6.572 0 40 HKAB Clc1cc(Br)cc2nc(Cc3ccc(Br)cc3)[nH]c12 226342910 CGYXMMNFXBHVQA-UHFFFAOYSA-N 400.501 5.332 0 40 HKAB O=C(CCCc1ccc(F)cc1)N1CCC[C@H](c2cccc(Nc3ccccn3)n2)C1 257204266 ATTLLCSNXHRLEE-FQEVSTJZSA-N 418.516 5.088 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(Cl)c3C)n2)c1 408696747 BPLVLMCCKUGZPM-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2cccc(C)c2)cc1 408698635 OYAIFJLHQRDLMA-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)nn2-c2cccc(C)c2)cc1 408724270 JHSHYZYUWREWQG-UHFFFAOYSA-N 401.897 6.062 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1Cc3ccccc3[C@@H]21 408999853 SOBUFXGZDCOXQM-BPXKWBHBSA-N 410.300 6.163 0 40 HKAB CC[C@H](C)N1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C1=O 409010780 LGEILJJONHXJSN-NSMHLIOHSA-N 422.525 5.972 0 40 HKAB Cc1c(Cl)cccc1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 409115219 JMKXGDCHSPNGBN-UHFFFAOYSA-N 422.355 7.646 0 40 HKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1 409176867 ZPHLIBOKQPJVTJ-BYURJTTGSA-N 405.607 6.654 0 40 HKAB Cc1cccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)c2)n1 585292733 RYIPYPJVUNXBJX-TWLJRWAQSA-N 412.537 5.256 0 40 HKAB CC(C)c1ccc(-c2nc3n(n2)[C@@]2(c4ccccc4)CCC(=O)N2c2ccccc2-3)cc1 1616030933 HYWPXKYDOIDBMD-HHHXNRCGSA-N 420.516 5.577 0 40 HKAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c(Br)c1 646312 SFNOHVDCWDPRGP-UHFFFAOYSA-N 421.291 5.038 0 40 HKAB COc1ccccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(C)cc(C)c3o2)c1 722611 ISZOUNQQVUZXSN-UHFFFAOYSA-N 406.869 6.026 0 40 HKAB CC(C)c1nc(SCC(=O)Nc2nccs2)c2c3c(sc2n1)C[C@H](C)CC3 1375690 PPKUGEAFAXMLKV-LLVKDONJSA-N 418.613 5.127 0 40 HKAB Cc1ccc(Cn2cnc3c(NS(=O)(=O)c4ccc(C)cc4)c(C)c(C)cc32)cc1 1388512 LQIZNLYXYFMRRD-UHFFFAOYSA-N 419.550 5.119 0 40 HKAB CC[C@@H](C)N1C(=S)SC(C)(C)[C@@H]1N(O)C(=O)Nc1ccc(Cl)c(Cl)c1 1514546 RHGBDRCXORJNQS-RNCFNFMXSA-N 422.403 5.453 0 40 HKAB Cc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)ccc4C)coc3c2)cc1 1774624 HTTNPXVVHUFNEC-UHFFFAOYSA-N 400.430 5.730 0 40 HKAB Cc1nn(C(=O)c2cc(Cl)nc(Cl)c2)c(C)c1Cc1c(F)cccc1Cl 2149182 KSXRRWIWHQLWKA-UHFFFAOYSA-N 412.679 5.274 0 40 HKAB CC(C)(C)c1ccc(-c2nc3c4cnn(-c5ccc(Cl)cc5)c4ncn3n2)cc1 2407556 HKBFAMPMCOQNHT-UHFFFAOYSA-N 402.889 5.081 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)sc2c1CC[C@H](C)C2 2734334 ZWMNDYQBRVWXTH-STQMWFEESA-N 421.946 5.109 0 40 HKAB COc1cc(NC(=O)c2ccccc2OCc2ccc(F)cc2)c(OC)cc1Cl 3427068 KEPURDUSFDAJAX-UHFFFAOYSA-N 415.848 5.328 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 4040106 JJJGNTWUQPBWDJ-VBKZILBWSA-N 414.383 5.388 0 40 HKAB COC(=O)C[C@@H](c1ccccc1)[C@@H](SCc1ccccc1)[C@H](O)c1ccccc1 4113997 CYKNIQPTNMENKI-ICDZXHCJSA-N 406.547 5.369 0 40 HKAB OC(c1cccc(Cl)c1)(c1cccc(Cl)c1)c1cccc(Br)c1 4241537 MTDKYTGQKHBZLN-UHFFFAOYSA-N 408.122 6.040 0 40 HKAB Cc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(C)cc2)cc1 4313902 CPGPZSSXTNOCCX-UHFFFAOYSA-N 415.514 5.224 0 40 HKAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4cccc(Cl)c4)o2)N3)C1 4556328 FHOYEPKOAOBJPK-LJQANCHMSA-N 413.930 5.468 0 40 HKAB CCN(CC)c1ccc2c(c1)Oc1cc(Cl)c(N)cc1[C@@]21OC(=O)c2ccccc21 4794657 YBCAVSHCIJYUHF-DEOSSOPVSA-N 420.896 5.336 0 40 HKAB CCCCOc1ccc(C(=O)NCC2(c3ccc(OC)c(OC)c3)CCCC2)cc1 4812259 WMQIKFUSFGMVGI-UHFFFAOYSA-N 411.542 5.125 0 40 HKAB O=C(Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1 4976354 SFCJBLXLBFSXIG-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB Fc1cccc(CNc2c3c(nc4cc(-c5cccc(Cl)c5)nn24)CCCC3)c1 4980792 XPBRRPOLOWUNQY-UHFFFAOYSA-N 406.892 5.680 0 40 HKAB COc1ccc2nc(N(Cc3cccnc3)C(=O)c3cccc(Cl)c3)sc2c1 5141956 JYORZUCSVVBOMP-UHFFFAOYSA-N 409.898 5.200 0 40 HKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccccc1F)c1ccccc1Cl 5206442 QNZQBZUKXMUZST-UHFFFAOYSA-N 409.869 5.973 0 40 HKAB COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccccc3C)cc2O)cc1OC 5219095 WSMUFMWJXFLXIS-UHFFFAOYSA-N 416.477 5.354 0 40 HKAB C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1ncc(Cc2ccccc2)s1 5235464 NRIAUPZYCXQQSN-CYBMUJFWSA-N 411.577 5.463 0 40 HKAB COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1OC 5458665 NIKPVISZBATZRG-FPOVZHCZSA-N 419.912 5.853 0 40 HKAB CCN1CCN(c2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2Cl)CC1 5644240 KCIKGZJQJVZWGF-UHFFFAOYSA-N 412.748 5.041 0 40 HKAB Cc1ccc(-c2csc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1C 6280466 DXBCPRQUFWJDQY-UHFFFAOYSA-N 416.390 7.208 0 40 HKAB CCOc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(C)cc32)cc1 6600808 PSEXLZCNLBQGIG-UHFFFAOYSA-N 411.549 6.125 0 40 HKAB CCN(CC)c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c(C)c1 6629924 RNOWHQJFBLHHKH-UHFFFAOYSA-N 417.336 6.660 0 40 HKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)Oc1ccccc1 6668451 CARONTSZYKGMSA-UHFFFAOYSA-N 406.894 5.648 0 40 HKAB Cc1nn(CC(C)C)c(Cl)c1/C=C(\CCC(=O)O)c1nc2ccccc2s1 7751720 YBNMHJFKODTHSZ-GXDHUFHOSA-N 403.935 5.516 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)cc2)c1 7882065 IACGQHQLUNKTQD-TZIWHRDSSA-N 414.505 5.336 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)[C@H](C)CC[C@@]4(C)[C@@H]3CC[C@@]12C 8241230 GWWAUGFEXKPHIM-OMEWTVFHSA-N 401.723 7.790 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 8273532 AMUYNJCUZMXURI-UHFFFAOYSA-N 418.324 5.195 0 40 HKAB CC[C@H](CO)NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 8326993 WNYKCEPNKUHBCX-GOSISDBHSA-N 404.337 5.586 0 40 HKAB Cc1ccc2nc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)sc2c1 8383045 FSUDRBMDCFBYRK-UHFFFAOYSA-N 406.894 5.741 0 40 HKAB COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3C)cc2O)c1 8996791 OPPXKQVVWLANGU-UHFFFAOYSA-N 402.450 5.471 0 40 HKAB Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)Cc4ccccc4)cc3)n2)cc1 9573319 ATSYEKYQSYUGHQ-UHFFFAOYSA-N 423.520 5.762 0 40 HKAB Cc1ccc(C)c(C(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1 9614805 IDXCIBNRKYCGGN-UHFFFAOYSA-N 423.321 5.547 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1NC(=O)c1ccco1 9617016 DYMJTYSPBGUSNQ-UHFFFAOYSA-N 417.509 5.329 0 40 HKAB C[C@H](NC(=O)CSc1nncn1-c1cccc(Cl)c1)c1cccc2ccccc12 9847563 IOVPGRFUCOTYQB-HNNXBMFYSA-N 422.941 5.043 0 40 HKAB COc1ccc(-c2c(C)noc2-c2ccc(OC)cc2OC(=O)c2ccco2)cc1 11865162 NWHVXAMBRYTUAP-UHFFFAOYSA-N 405.406 5.146 0 40 HKAB biogenic COC[C@H](C)n1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc(F)cc1 12652794 FPAFYFCPWRAXIG-BUUZQLDUSA-N 411.329 6.102 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nnc(NCc2ccccc2)s1 12656263 LDFARCFUSMTUHX-NJAFHUGGSA-N 419.616 5.246 0 40 HKAB Cc1cc(C(C)(C)C)cc(C)c1CSc1nnc(-c2cccs2)n1CC(=O)O 12817475 UTMUSRGGXLHDSX-UHFFFAOYSA-N 415.584 5.298 0 40 HKAB O=c1cc(CN[C@@H](CCCc2ccccc2)c2ccccc2)nc2ccc(Cl)cn12 13012082 GOFDLYZSKORCOU-QHCPKHFHSA-N 417.940 5.202 0 40 HKAB C[C@@H](Sc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 13072444 KFWRNGBSVONHPS-GFCCVEGCSA-N 419.369 5.692 0 40 HKAB Clc1ccc(-[n+]2cc(-c3ccc(Br)cc3)n3c2CCCCC3)cc1 13686399 PQYULVVNFBIDOD-UHFFFAOYSA-N 402.743 5.574 0 40 HKAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)c1 14095501 SWBJSDAUWSNXDB-RMKNXTFCSA-N 424.850 5.086 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(CSc2ncn[nH]2)cc1 14200028 ZJGYBTWCOCXAEX-UHFFFAOYSA-N 412.824 5.022 0 40 HKAB COc1cc(CNCc2ccccc2Cl)cc(Cl)c1OCc1ccc(F)cc1 16195563 CUFQOKSPKCLTAU-UHFFFAOYSA-N 420.311 6.010 0 40 HKAB O=C(Nc1ccc(Cl)cc1)N(Cc1cccc(F)c1)c1nnc2n1CCCCC2 16769778 DEJDWLZBEKICAF-UHFFFAOYSA-N 413.884 5.036 0 40 HKAB CC(C)(C)C(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 17092918 YLKPZJSDLCJVKT-UHFFFAOYSA-N 422.337 5.661 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)c1 17093969 LPIZZRNTNZCGDS-UHFFFAOYSA-N 424.522 5.440 0 40 HKAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN2Cc2ccc(Cl)c(Cl)c2)on1 19122518 HSRQHKXKWVRANX-GOSISDBHSA-N 403.313 5.392 0 40 HKAB O=C(N[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl)OCc1ccccc1Cl 19228906 FVRVXUPKTDFHIC-OAHLLOKOSA-N 422.139 5.052 0 40 HKAB Cc1noc(C)c1Cc1c(C(=O)Nc2ccccc2Oc2ccc(F)cc2)noc1C 19580993 SXZGSFJGQBLVNU-UHFFFAOYSA-N 421.428 5.362 0 40 HKAB Cc1ccc(C(=O)c2sc3nc4c(c(-c5ccccc5)c3c2N)CN(C)CC4)cc1 19889362 YECPOYLRMQFZPN-UHFFFAOYSA-N 413.546 5.073 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 20411218 KYOTWTMNWBXHDO-UHFFFAOYSA-N 414.505 6.659 0 40 HKAB CCCc1nnc2sc(-c3ccc(NC(=O)c4ccc(C(C)C)cc4)cc3)nn12 20609719 QFMDRRKXEOSZQU-UHFFFAOYSA-N 405.527 5.181 0 40 HKAB CC(C)c1ccc(Nc2ncccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 22072919 KKCNQOUAOPLLEP-UHFFFAOYSA-N 415.415 6.100 0 40 HKAB C[C@@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)Nc1ccc(F)cc1F 22189183 JOCBYPQFSMONQY-GFCCVEGCSA-N 411.433 5.287 0 40 HKAB Cc1ccc(C(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@@H]2c2ccccc2)cc1C 28047948 HYHWAVXDOJDZOI-QHCPKHFHSA-N 404.897 5.141 0 40 HKAB O=C(NCCc1ccc(F)cc1)c1ccccc1CSc1nc2ccccc2o1 29601109 HEEIYBDQSPKUAI-UHFFFAOYSA-N 406.482 5.232 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)c(Cl)c1 30856620 FGXPRBZLKBUHBS-LJQANCHMSA-N 418.718 6.052 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc3[nH]c4ccccc4c3c2)ccc1Br 44781771 ZAPFEXRTIWCVCG-UHFFFAOYSA-N 409.283 5.410 0 40 HKAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 44933153 WPSDYLYZVFCUGS-CRAIPNDOSA-N 421.368 5.091 0 40 HKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 44949250 RLBIEWBASXYYOJ-FQEVSTJZSA-N 408.542 5.034 0 40 HKAB c1ccc2c(N3Cc4cc5c(cc4C3)CN(c3cccc4ccccc34)C5)cccc2c1 59475095 LLKAIBBWAFZODM-UHFFFAOYSA-N 412.536 7.033 0 40 HKAB Cc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN23)cc1 106937224 RAHRZNVFVOYGDE-NAKRPHOHSA-N 418.496 5.901 0 40 HKAB Cc1ccccc1[C@@H]1CCN(C(=O)CCC(=O)c2ccc(Cl)cc2)CCS1 219268603 LHUCPHUFOOTVDP-NRFANRHFSA-N 401.959 5.318 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219339604 AEFSGNCHFGGFEF-YADHBBJMSA-N 419.521 5.424 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(Sc4ccccc4)cc3)N21 222688985 LLTLVLQMZCXKKC-SXSPYAJSSA-N 417.603 6.212 0 40 HKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 222987454 ILIAZXPIWOIZTA-JOCHJYFZSA-N 409.913 6.545 0 40 HKAB COc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 224178849 PPXOVOKTQVUUGR-UHFFFAOYSA-N 417.549 5.544 0 40 HKAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C 224297248 BUTJJGBKTLWMAP-PKTZIBPZSA-N 404.583 5.314 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1CSc1ccc(C)cc1 224663816 KUKYQUVNIJDPGY-UHFFFAOYSA-N 407.535 5.947 0 40 HKAB Cc1ccc(C)c(C(=O)Nc2nnc(SCc3ccc(Cl)c(Cl)c3)s2)c1 225054830 DYWDDTSHUNDMGY-UHFFFAOYSA-N 424.378 6.006 0 40 HKAB CC(C)Oc1cccc(CNC(=S)Nc2ccc(CSc3ccccc3)cc2)c1 225523603 JJYQRGVCLQZKCP-UHFFFAOYSA-N 422.619 6.253 0 40 HKAB C[C@H]1C[C@@H](C)CN(CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 225728304 IHFGLLGJMWRUNV-BETUJISGSA-N 407.933 5.013 0 40 HKAB O=C(Cc1ccc(Cl)cc1F)NCCSCc1c(Cl)cccc1Cl 225743174 TYMGPXMBPPIPAY-UHFFFAOYSA-N 406.737 5.378 0 40 HKAB CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c2ccccc2O1 225864672 LKZXHRNEYZJQPT-HXUWFJFHSA-N 417.571 5.180 0 40 HKAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 226282106 LDXJXSXYZGDJBM-UHFFFAOYSA-N 410.395 6.077 0 40 HKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(C(F)(F)F)cc2)C1 257275372 NPAZRRSTRIXRPX-RZUBCFFCSA-N 423.450 5.968 0 40 HKAB O=C1S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1Cc1ccccc1F 408603081 QANBJQZFHGSLFW-VXLYETTFSA-N 415.392 5.600 0 40 HKAB Cc1cc(C)cc(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3)n2)c1 408725468 PMASYRMCZAUBGK-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB CCCCCCOc1ccccc1/C=C1\N=C(c2cc(Cl)ccc2OC)OC1=O 409005823 WRTAOAGPUWGXPJ-RGEXLXHISA-N 413.901 5.652 0 40 HKAB COc1ccccc1Cc1cc(C(=O)Nc2ccccc2Cc2ccccc2)ccn1 2037843764 IIWQTPZGWNWIQE-UHFFFAOYSA-N 408.501 5.524 0 40 HKAB Clc1ccccc1CSc1nnc(COc2ccc(Br)cc2)o1 859846 UPYPCMKYYNLQAL-UHFFFAOYSA-N 411.708 5.357 0 40 HKAB Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc3c(cc12)CCCCC3 1424116 DVEDQHNNXVVOSO-UHFFFAOYSA-N 405.445 5.419 0 40 HKAB CCc1nc2sc3c(NCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 2272339 FGSPUNLNHWXWHU-UHFFFAOYSA-N 404.539 5.265 0 40 HKAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1ccc2cc(OC)ccc2c1 2281556 SWEZVDWNPRVZLZ-UHFFFAOYSA-N 411.523 5.537 0 40 HKAB Fc1ccc(-n2cc(-c3ccccc3)c3c(NCCc4ccccc4)ncnc32)cc1 2713982 VGQPYIHZXOYXCZ-UHFFFAOYSA-N 408.480 5.881 0 40 HKAB Cc1c(NC(=O)c2sc3cccc(OC(F)F)c3c2Cl)cccc1C(=O)O 2793826 LGJCRRIOTMXGDM-UHFFFAOYSA-N 411.813 5.415 0 40 HKAB O=C(c1ccccc1)[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccccc1 3336703 XIFZJPZDOUCSLV-NRFANRHFSA-N 416.458 5.182 0 40 HKAB O=C(COc1ccc(F)cc1Br)Nc1ccccc1-c1ccccc1 3339458 DRNDUUUZSKACKP-UHFFFAOYSA-N 400.247 5.273 0 40 HKAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(C)Cc1ccc(C(F)(F)F)cc1 3384795 GDHARUSSAHRKLV-NSHDSACASA-N 405.247 5.471 0 40 HKAB Cc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 3765741 TXYCRNWFYZNSCP-UHFFFAOYSA-N 419.859 6.643 0 40 HKAB CCCn1c(-c2ccc(OC)c(F)c2)cs/c1=N\c1cccc(C(F)(F)F)c1 4524174 BSVQSERHOIORDQ-PLRJNAJWSA-N 410.436 6.026 0 40 HKAB Cc1ccc(-c2csc(NC(=O)c3ccc(OCC(C)C)cc3)n2)c2ccccc12 4602626 PHSPTVFNLXYUJL-UHFFFAOYSA-N 416.546 6.559 0 40 HKAB O=C(/C=C/c1ccccc1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 4616714 LZWIZEPFVZMUHW-LPJIDKQRSA-N 418.540 6.523 0 40 HKAB Cc1cc(-c2ccsc2)c2c(N)c(C(=O)C34CC5CC(CC(C5)C3)C4)sc2n1 4619829 LQPBJPSZZRIBMW-UHFFFAOYSA-N 408.592 6.315 0 40 HKAB CCN(CC)c1ccc(NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc1 4631038 QIMURERWSVKCKA-LBPRGKRZSA-N 415.748 5.899 0 40 HKAB COc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1 4703865 HGWGCGYMXKDISX-UHFFFAOYSA-N 416.477 5.644 0 40 HKAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(OC)cc1 5100301 JOISNPIUMWBLJU-HLADLETHSA-N 424.481 5.512 0 40 HKAB CC(C)Oc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 5452050 YURJFRWSWCBWMJ-ILBGXUMGSA-N 402.469 5.855 0 40 HKAB CCc1cccc(CC)c1NC(=O)CN1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 5625536 KDCAFKGUIBMJKM-UHFFFAOYSA-N 424.976 5.159 0 40 HKAB Cc1ccc2c(c1)[C@@H](c1ccccc1)C[C@@H](C)N2S(=O)(=O)c1cccc(Cl)c1 6034404 BCGJJEZJPSFDFT-DYESRHJHSA-N 411.954 5.768 0 40 HKAB CCOc1ccc(Oc2ccc(NC(=O)Cc3coc4cc(OC)ccc34)cc2)cc1 6261411 JUTHTNZGVKDRLO-UHFFFAOYSA-N 417.461 5.814 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(OCc2ccccc2)cc1 6400967 RXAJQQAJKQCNMX-UHFFFAOYSA-N 411.954 6.430 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)C1(c2ccccc2F)CCCC1 6468264 UIFKZIBMYSLLNC-DBXWQHBBSA-N 404.522 5.185 0 40 HKAB CCCCOc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(OCC)cc32)cc1 6480959 PVYKIMMGZZTDEW-UHFFFAOYSA-N 413.521 5.698 0 40 HKAB CSc1ccc(CN(C)C[C@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)cc1 6530331 NXDKGKAEGNEFPJ-AZGAKELHSA-N 421.606 5.316 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc3ccccc3n2CCC(C)C)c1 6652492 FQPDIRWFMHMPGH-KRWDZBQOSA-N 409.555 5.404 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cccc(Cl)c1)c1ccccc1 6838038 BOJOTDHMCZCGQB-NRFANRHFSA-N 409.869 5.194 0 40 HKAB CCCCCOc1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 7261438 NXQIGOZZUAAVOJ-UHFFFAOYSA-N 415.839 5.945 0 40 HKAB COc1ccccc1-c1nnc(SCC(=O)c2ccc(C)cc2)n1-c1ccccc1 7455410 KOEVSFWUKYGKSP-UHFFFAOYSA-N 415.518 5.226 0 40 HKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)CCc1ccco1 7784635 KMBIDUZROJTMBS-UHFFFAOYSA-N 419.912 5.377 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc2ccccc21 8162486 GNKORHGRKWSTMC-UHFFFAOYSA-N 413.852 5.459 0 40 HKAB CCC[C@H](NC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1 8189087 VQUDCUFYSLKRGD-KXBFYZLASA-N 420.538 5.356 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCc3cscn3)n2Cc2ccco2)cc1 8327190 XQKVCUVPKBAUPA-UHFFFAOYSA-N 410.568 5.633 0 40 HKAB CCOc1ccc(C(C)=O)cc1CNc1ccccc1C(=O)Nc1ccc(F)cc1 8428076 HBWVLHMHNZYYNT-UHFFFAOYSA-N 406.457 5.291 0 40 HKAB COc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 8470272 UBXDIHXYKKYMJE-UHFFFAOYSA-N 414.760 6.267 0 40 HKAB O=C(NCCCn1cnc2ccccc21)c1ccccc1SCc1cccs1 8706936 FRZJZFIAORHQQG-UHFFFAOYSA-N 407.564 5.210 0 40 HKAB Fc1ccc([C@H]2C[C@H](c3cccc(Br)c3)n3c(nc4ccccc43)N2)cc1 9292484 QSULNCBFCZISDR-TZIWHRDSSA-N 422.301 6.084 0 40 HKAB Cc1cc(Nc2ccc(Cl)c(Cl)c2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 9345739 QYJNCIHVVHKDGN-UHFFFAOYSA-N 417.727 6.717 0 40 HKAB O=C(c1cc(Br)c(Br)s1)N1CCC[C@@H]1c1ccccc1 9955694 HKSBJGUZUIKZOH-GFCCVEGCSA-N 415.150 5.250 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccs2)cc1 10215702 NCCMNHMMIKNLBL-WMZHIEFXSA-N 406.507 5.398 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3cc4cnn(C(C)C)c4nc3C)sc2C)cc1 10440700 GTHBOWLOPSEPEM-UHFFFAOYSA-N 421.526 5.013 0 40 HKAB COc1ccc(-c2cc(=O)oc3cc4occ(-c5ccc6ccccc6c5)c4cc23)cc1 11691936 GRBIQPFWGVRUAH-UHFFFAOYSA-N 418.448 7.035 0 40 HKAB biogenic Cc1ccc(N/C=C2\C(=O)N(c3ccccc3C(F)(F)F)C(=O)c3ccccc32)cc1 12524297 BYOBBQOVYGJUQE-RGEXLXHISA-N 422.406 5.654 0 40 HKAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4cccs4)ccc3c2C)cc1OC 15729384 ANBBRIPTQVFAJC-UHFFFAOYSA-N 421.474 5.303 0 40 HKAB biogenic COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4F)cc3c2C)c1 15729477 HDTBHRBUDQFNQV-UHFFFAOYSA-N 403.409 5.372 0 40 HKAB biogenic COc1ccc(C(C)=O)cc1CSc1nc2ccccc2n1CCc1ccccc1 15913470 LDNZIOFAAXYAMF-UHFFFAOYSA-N 416.546 5.783 0 40 HKAB O=C(Nc1cccc(COC(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 16399390 DQCHUCMKKGYDQA-UHFFFAOYSA-N 400.261 5.603 0 40 HKAB Cc1c(C(=O)N2CCC(Cc3ccccc3)CC2)sc2nc(-c3ccccc3)cn12 16992608 AXOKKPPBTMVSDB-UHFFFAOYSA-N 415.562 5.466 0 40 HKAB COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1ccccc1 19326105 QVZDFSKZDZVSPI-UHFFFAOYSA-N 402.538 5.111 0 40 HKAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1-c1ccc(CO)o1 20144723 FXZBHFFQZKHNSP-ZDUSSCGKSA-N 420.292 5.460 0 40 HKAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)cc1 20492139 ICMOWCNMBYCTJH-JTQLQIEISA-N 400.725 5.230 0 40 HKAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(OCCC(C)C)c1 20672463 GGAGPBZFUCSESE-QHCPKHFHSA-N 419.525 5.313 0 40 HKAB O=C(C1=C(c2ccccc2)SCCO1)N(Cc1cccs1)c1ccc(F)cc1 20745820 XYYUITUBLFYQPU-UHFFFAOYSA-N 411.523 5.553 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(OCc2ccccc2Cl)c1 22258000 PZDTVWVPSMUAHK-UHFFFAOYSA-N 405.803 6.190 0 40 HKAB CCOc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn23)cc1 27585981 SAZKXDCLQHGNFU-UHFFFAOYSA-N 406.489 6.206 0 40 HKAB Cc1ccc(C(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@H]2c2ccc(F)cc2)cc1C 28048068 IMQZDQPFIKTYNM-HSZRJFAPSA-N 422.887 5.280 0 40 HKAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)no2)cc1 28286854 MOIMSQVRMLDUDS-QFIPXVFZSA-N 423.944 5.260 0 40 HKAB Cc1ccc(C(=O)Nc2nc(-c3cccnc3)cs2)cc1NC(=O)c1ccccc1 29257659 LKMCBZOLAKTCBV-UHFFFAOYSA-N 414.490 5.018 0 40 HKAB Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc(F)cc3F)n2)cc1 32578822 DERIRNRNGWYPRC-UHFFFAOYSA-N 421.403 5.155 0 40 HKAB O=C(COc1ccc(CNc2ccccc2Cl)cc1Cl)Nc1ccc(F)cc1 33665619 DIBNMJMKZWUBEY-UHFFFAOYSA-N 419.283 5.762 0 40 HKAB Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 34784112 JIPFBNWOAPTVPU-UHFFFAOYSA-N 421.953 5.777 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 39761784 QOSAFHXUUYKEGH-UHFFFAOYSA-N 414.830 5.349 0 40 HKAB Cc1ccc2occ(CN(CCCn3ccnc3)Cc3ccccc3Cl)c(=O)c2c1 43277783 FWQLYCZIGSTJOU-UHFFFAOYSA-N 421.928 5.044 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 44846261 GRJFBGYYRZOKKO-UHFFFAOYSA-N 421.518 5.287 0 40 HKAB COc1cc(Cl)c(C)cc1NC(=O)CSC(c1ccccc1)c1ccccc1 48333063 ZUSWAWJAVSDHMP-UHFFFAOYSA-N 411.954 6.118 0 40 HKAB Cc1ccc2c(Nc3cccc(Br)c3)c(C(=O)OC(C)C)cnc2n1 49004516 TVNQCWBMBRNWAJ-UHFFFAOYSA-N 400.276 5.010 0 40 HKAB FC(F)(F)c1ccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc23)cc1 67262206 SHAWJDRLTXXBLW-UHFFFAOYSA-N 419.410 5.575 0 40 HKAB Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(C(=O)CC4CCCC4)CC3)c12 72336015 OIQQSQMNIUDXBO-UHFFFAOYSA-N 424.589 5.113 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ccc(Oc3cccc4[nH]ccc34)nc2)cc1OC 72405763 WDFFOJRRBNROBO-JXMROGBWSA-N 415.449 5.024 0 40 HKAB C[C@H](NC(=O)c1sc2ccccc2c1C[S@@](C)=O)c1ccc2ccccc2c1 89905136 AOECQIVRTWITAH-HBIPHATFSA-N 407.560 5.424 0 40 HKAB COc1ccc([C@@]23C(=C(c4ccccc4)c4ccccc4)[C@H]4C[C@H]2[C@@]3(C)C4(C)C)cc1 100366012 BPROIXCAMGDCTI-JDZJWIEASA-N 406.569 7.131 0 40 HKAB CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CCOc2ccccc2)C1=O 106764601 ZOOOVVDRUYQKTH-JWGURIENSA-N 419.502 5.354 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1cccc(OC(C)C)c1 219346785 YYPAZFGNCMSEAQ-RUZDIDTESA-N 405.538 5.533 0 40 HKAB CCCCc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 219420504 NNFOWJXBJLUHPQ-UHFFFAOYSA-N 419.396 6.187 0 40 HKAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 222900797 JPIYIPDHQROTCA-OAHLLOKOSA-N 421.368 5.091 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 223012168 VJGHTTSKZQJZTJ-INIZCTEOSA-N 406.231 6.117 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223346204 MHTUCCWSUXANJM-OPAMFIHVSA-N 420.018 6.529 0 40 HKAB Cc1ccc(CCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C 223951889 ATOQEOPRQCTTBA-UHFFFAOYSA-N 412.577 5.170 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)cc1 224210148 AZJQYFSTAVCIDJ-DQEYMECFSA-N 424.573 5.666 0 40 HKAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)cc2)C1 224334802 LLLSAFZWTIRHFZ-HXUWFJFHSA-N 408.586 5.025 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COCc1ccccc1 224353019 UZEUWLJJQRZEKM-UHFFFAOYSA-N 411.885 5.326 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1cccc(C)c1 224383112 NOMKGLATWAYUKX-UHFFFAOYSA-N 403.522 6.348 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1ccccc1OC 224575330 DUXWQLYRQYKTLF-UHFFFAOYSA-N 419.521 5.796 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)N1CCCCC1 225333148 YUQYETITCKOWPA-UHFFFAOYSA-N 405.325 5.191 0 40 HKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225697085 WBNHXSCWLYRYGX-UHFFFAOYSA-N 411.586 6.380 0 40 HKAB COc1ccc(SCCCNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 225802678 MQBKHLQSIHAFKV-UHFFFAOYSA-N 400.491 5.183 0 40 HKAB CCOC(=O)c1cccc(NC(=S)NCCCc2cccc3ccccc23)c1C 225809067 WPJVLBSPYLAQQY-UHFFFAOYSA-N 406.551 5.244 0 40 HKAB COc1ccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)cc1Cl 225853827 FXCROLQIONKFIA-UHFFFAOYSA-N 402.991 5.889 0 40 HKAB O=C(O)COc1cc(F)ccc1-c1cc(-c2ccc(F)cc2)n(Cc2ccccc2)n1 257222109 DRZACQDKMLGLHZ-UHFFFAOYSA-N 420.415 5.007 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@]4(O)[C@H](O)CCC[C@]4(C)[C@@H]3CC[C@@]12C 257350415 XHJMYRAEGCTDKQ-CNCXHYKDSA-N 404.679 6.584 0 40 HKAB S=C(NCc1ccc(Cl)cc1)c1ccccc1OCc1ccc(Cl)cc1 408578851 ZTLOSJUHNWDOJC-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)cc3C)n2)cc1 408699096 RLDNVBSZTMPSEL-UHFFFAOYSA-N 414.484 5.505 0 40 HKAB CCCCN(CCCC)CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 408725053 IQFVJLLVDWVSDW-GZTJUZNOSA-N 415.386 5.889 0 40 HKAB Cc1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)sc2CC(=O)O)c(C)c1 408882837 RDPUSNKGODWYMN-UHFFFAOYSA-N 407.322 6.104 0 40 HKAB O=C1N/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1c1ccc(Cl)cc1 409221756 VBCUKMFVEZFWNG-DEDYPNTBSA-N 422.843 5.155 0 40 HKAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)Nc1ccccc1C(F)(F)F 1775967436 RLMOQBVOVDHXIZ-CQSZACIVSA-N 412.458 5.351 0 40 HKAB COc1ccccc1N1CC[C@@H](O)[C@H]([C@H](Nc2ccccc2)c2ccc(F)c(F)c2)C1 2037844353 UEOFTUKTCXKSSC-RZPHLTDDSA-N 424.491 5.014 0 40 HKAB O=C1C[C@@H](c2ccccc2C(F)(F)F)c2cc(Br)c3ccccc3c2N1 709399 DAJJETJGKGYCQP-AWEZNQCLSA-N 420.228 6.095 0 40 HKAB Cc1ccc2oc(-c3ccc(NC(=O)c4ccccc4Br)cc3)nc2c1 826455 CTTDSTAMFDZNEG-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1Cl 878055 NAFQKEXWPWOKCR-UHFFFAOYSA-N 421.305 5.568 0 40 HKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NC3CCCC3)c2c1 922142 JLLISJYAVLYSHU-UHFFFAOYSA-N 409.530 5.149 0 40 HKAB CCN(CC)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 1152593 FBHQCWMOKSPLJM-BUHFOSPRSA-N 424.342 5.183 0 40 HKAB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccccc1C(F)(F)F 1353773 TXHCRRAURRNBLF-UHFFFAOYSA-N 416.374 5.425 0 40 HKAB Cc1ccc(C)c(Oc2coc3cc(OC(=O)c4cccc(Cl)c4)ccc3c2=O)c1 1774643 MDKIOPWZWPIYOG-UHFFFAOYSA-N 420.848 6.075 0 40 HKAB Cc1ccccc1COc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1C 2128569 XPZHCZAMLRWACH-UHFFFAOYSA-N 424.452 5.762 0 40 HKAB biogenic O=C(NCCc1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccc(Cl)cc1 2450134 SPGIRGXOIDPOBM-UHFFFAOYSA-N 404.897 5.373 0 40 HKAB biogenic Clc1ccc(-c2nnc(SCc3ccccc3Cl)n2C[C@H]2CCCO2)cc1 2642844 SSQROWOEKZMIRV-QGZVFWFLSA-N 420.365 5.723 0 40 HKAB CC(C)(C)c1cc([C@@H](c2ccc(Cl)cc2)N2CCCC2)cc(C(C)(C)C)c1O 2708328 ITSBRVBWXGZQMO-JOCHJYFZSA-N 400.006 6.826 0 40 HKAB Cc1c(-c2ccc(F)cc2)nn(-c2cc(Cl)cc(Cl)c2)c1-c1ccc(F)cc1 2733400 WNUDIMDJJFVZSS-UHFFFAOYSA-N 415.270 7.100 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 3041230 JKSJPRCLYVJPGS-UHFFFAOYSA-N 407.684 5.109 0 40 HKAB CCCCO[C@@H]1C[C@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)N(C)O1 3048623 RPCZNVKVMRSVEY-KNQAVFIVSA-N 405.922 5.379 0 40 HKAB COc1ccc(Br)cc1/C=C1/N=C(c2ccc(C(C)(C)C)cc2)OC1=O 3052853 DURABQOHCZNJBB-SFQUDFHCSA-N 414.299 5.100 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cc(F)c(F)c(F)c4F)cc3)sc2c1 3231171 RKVNUPVAZNEOQR-UHFFFAOYSA-N 416.399 6.080 0 40 HKAB O=C(COC(=O)c1ccccc1OCc1ccccc1Cl)c1cc2ccccc2o1 3332730 YLUOWBGBEZZNMO-UHFFFAOYSA-N 420.848 5.705 0 40 HKAB Cc1cc2nc3s/c(=C\c4ccc(F)c(Oc5ccccc5)c4)c(=O)n3c2cc1C 3622398 FPKRTVYZYFRWOO-XKZIYDEJSA-N 416.477 5.005 0 40 HKAB CC(C)(C)c1ccc(OCCn2cc(C(=O)C3CCCCC3)c3ccccc32)cc1 3655925 LCXVPFQLGMOZFJ-UHFFFAOYSA-N 403.566 6.781 0 40 HKAB FC(F)(F)c1cc(-c2cccs2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 3765731 SJPPAHSRLSGFJO-UHFFFAOYSA-N 411.861 6.397 0 40 HKAB C[C@H]1CC2=C(NC(=S)N[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 4497989 WTAKRSLFOYPHNB-CCTYPNJASA-N 415.389 6.280 0 40 HKAB CCCCCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12 4525947 MRYJEJYUSIQCNM-UHFFFAOYSA-N 402.321 6.946 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(OC)ccc2OC)N3)C1 4554581 GNPZGDUCNOJVCQ-ZUOKHONESA-N 414.571 5.735 0 40 HKAB COc1cccc2cc(-c3cc(=O)oc4ccc(OC(=O)c5ccco5)cc34)oc12 4586213 WQIGELWKUFHFOF-UHFFFAOYSA-N 402.358 5.027 0 40 HKAB biogenic CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CCC(=O)[C@@](C)(CCC(=O)O)[C@@H]3CC[C@@]21C 4831131 YSWDCQJTPYALJE-JSEHHCADSA-N 404.635 6.742 0 40 HKAB Cc1cc(C(C)(C)C)oc1C(=O)O[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 4967471 LFGRHGWTIMEBIX-NRFANRHFSA-N 415.505 5.372 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1 5359458 QQBDNARZJCSKIE-CYBMUJFWSA-N 408.552 5.495 0 40 HKAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1nnc(-c2ccccc2)o1 5396874 LWDZHPCXXIMWFP-ZDUSSCGKSA-N 409.540 5.169 0 40 HKAB Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(/N=N/c3ccccc3)cc2)cc1 6332312 RIKAFTZKGAHKNF-BYYHNAKLSA-N 409.489 6.885 0 40 HKAB CCN(CC)c1ccc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1 6561032 SLRUUXCUENVKSZ-UHFFFAOYSA-N 417.884 5.331 0 40 HKAB COc1cc2c(cc1NC(=S)Nc1ccc(OC(F)F)cc1)oc1ccccc12 6831055 BPRKFYQJVHRCCG-UHFFFAOYSA-N 414.433 6.005 0 40 HKAB O=C(Oc1ccc(-c2ccccc2)cc1)c1ccccc1OCc1ccc(Cl)cc1 7699060 CREQIFVGXKHDGJ-UHFFFAOYSA-N 414.888 6.805 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 8187623 RYEPJPKKMXSJDX-UHFFFAOYSA-N 411.889 5.084 0 40 HKAB CCOc1c(Cl)cc(C(=O)Nc2ccccc2CC)cc1OCc1ccccc1 8202792 OISACWXLQCDSKD-UHFFFAOYSA-N 409.913 6.132 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccccc1C 8590851 DFNSRMDJYVHINE-UHFFFAOYSA-N 404.491 5.298 0 40 HKAB CN(C)c1cc(CSc2ccc(Cl)cc2)nc(SCc2ccc(F)cc2)n1 8733606 LZZRPUWIWZLSGT-UHFFFAOYSA-N 419.978 5.920 0 40 HKAB Cc1cc(OCC(=O)N(Cc2cccc(F)c2)Cc2ccco2)cc(C)c1Cl 8917680 PYMYRLZRQXCWCE-UHFFFAOYSA-N 401.865 5.297 0 40 HKAB COCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccccc1F 9060285 ZHLMKBDJHBOFMS-UHFFFAOYSA-N 420.488 5.076 0 40 HKAB COc1ccc(-c2nc(CC(=O)NCCc3ccc(Cl)cc3Cl)cs2)cc1 9184325 AIUIOWMLKJEFMI-UHFFFAOYSA-N 421.349 5.027 0 40 HKAB Cc1cc(SCC(=O)Nc2ccc(C)c(Cl)c2)n2ncc(-c3ccccc3)c2n1 9345278 BWGCMTOZOIKRDX-UHFFFAOYSA-N 422.941 5.397 0 40 HKAB CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4F)ccc3o2)cc1 9660155 HQPBCLSZJQZJBG-UHFFFAOYSA-N 403.409 5.250 0 40 HKAB biogenic O=c1c2ccccc2nc(/C=C/c2ccc(Br)cc2)n1-c1ccccc1O 9913331 MKLBYKIGMAMRLG-SDNWHVSQSA-N 419.278 5.024 0 40 HKAB Cc1cc(C)c(C)c(Cn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c1C 11667134 XALBWDMQSRUCKF-UHFFFAOYSA-N 401.510 5.183 0 40 HKAB Cc1ccc(NC(=O)Cc2csc(SCC(=O)c3cccs3)n2)cc1Cl 11694986 YJPTXUGLRCLGFL-UHFFFAOYSA-N 422.984 5.323 0 40 HKAB O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(C2SCCCS2)cc1 12622226 MMULYYNDQUXRCR-KRWDZBQOSA-N 405.585 5.661 0 40 HKAB O=C(CSc1nnc(COc2ccccc2Cl)o1)c1ccc2ccccc2c1 12675509 XXLVVERZZYBHFS-UHFFFAOYSA-N 410.882 5.430 0 40 HKAB COc1ccc(N(C(C)=O)c2nc(/C=C/c3nc4ccccc4s3)cs2)cc1 12783220 SUFORVRJXQXDNG-KPKJPENVSA-N 407.520 5.616 0 40 HKAB O=C(Nc1ccc(Br)cc1Cl)c1ccc(COc2ccccc2)cc1 12856776 ZDETWIPNRMUBQT-UHFFFAOYSA-N 416.702 5.934 0 40 HKAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@H]1CCCc2ccccc21 12941636 RVCYELUFAZYTAR-NRFANRHFSA-N 400.526 5.039 0 40 HKAB CC(=O)Nc1ccc(/C=C/C(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)cc1 12946749 UIUBRIVPOKJLFC-LHHJGKSTSA-N 408.885 5.230 0 40 HKAB O=C(CSc1nc2cc(Cl)ccc2s1)Nc1cc(C(=O)O)ccc1Cl 13356513 QBLUMAVFZQWCBF-UHFFFAOYSA-N 413.307 5.032 0 40 HKAB COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2C)c1 13685402 YDHQSDCCYLDITB-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB C[C@]12[C@H](c3ccc(F)cc3)c3ccccc3O[C@@]1(c1cccs1)C2(Cl)Cl 13879902 LGQNCDSWNAUXGK-HSALFYBXSA-N 405.321 6.501 0 40 HKAB C[C@H](OC(=O)c1cc2cc(F)ccc2s1)C(=O)c1ccc(Br)cc1 14123675 YDMQDSJBEKGHLH-JTQLQIEISA-N 407.260 5.231 0 40 HKAB COc1ccccc1NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 16030521 UCCHRRYRWQRDOC-MBSDFSHPSA-N 420.534 5.188 0 40 HKAB CC[C@H]1c2ccsc2CCN1C(=O)CCC(=O)c1ccc(Br)cc1 16778287 IRBDQKHWDGPAIN-INIZCTEOSA-N 406.345 5.010 0 40 HKAB Cc1ccc(CSc2nc(O)c(Cc3ccc(OCC(C)C)cc3)c(O)n2)c(C)c1 16844285 SLQZHHNPPSXXFS-UHFFFAOYSA-N 424.566 5.423 0 40 HKAB CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)NCc3cccs3)cc12 16846322 YJROHIFFIJBFOI-UHFFFAOYSA-N 402.519 5.600 0 40 HKAB Cc1c(-c2ccc(Br)cc2)nn(C)c1-c1ccc(Br)cc1 17083302 QDXIJEACHZZPAJ-UHFFFAOYSA-N 406.121 5.588 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccc(Cl)c(C)c4)ccc3o2)c1 17092477 YXFVZXSFDQCNFX-UHFFFAOYSA-N 420.896 6.091 0 40 HKAB CC(C)(C)C(=O)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1 19081097 WZUGTCDVVDYPTF-UHFFFAOYSA-N 415.541 5.034 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc(C)c1Cl 20144359 NDDKYIHHSLQGNR-UHFFFAOYSA-N 420.292 5.380 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(F)c(Cl)c1 21595541 IUQUHIWKSZLVRA-DHZHZOJOSA-N 400.862 5.266 0 40 HKAB CC(C)c1noc2ncc(C(=O)N3CCc4sccc4[C@H]3c3ccccc3)cc12 25902835 ITTTZRNFVMMOEG-OAQYLSRUSA-N 403.507 5.196 0 40 HKAB CCOCc1ccccc1CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 30508937 VHHFQNDYBRXPEK-UHFFFAOYSA-N 412.489 5.475 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(OCc2ccccn2)c1 31456122 RGWMPPIGKPENGB-CQSZACIVSA-N 417.292 5.373 0 40 HKAB CCCOc1ccc(-c2noc(Cc3nc(-c4ccc(C)cc4C)cs3)n2)cc1 33171469 NJMKGFIHQJFXTL-UHFFFAOYSA-N 405.523 5.857 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)sc2c1CCCC2 33870600 JGFPUHDOWXURKJ-UHFFFAOYSA-N 423.534 5.933 0 40 HKAB COc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c3c2C[C@H](C)CC3)cc1 35325595 XQISGFAUEYPIAV-OAHLLOKOSA-N 403.913 5.850 0 40 HKAB Cc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)cc1 41076856 NZVXTVFAMYHNNW-UHFFFAOYSA-N 402.519 5.399 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(F)cc(F)c1 49005143 QGKIDAOLUNAWKE-SFHVURJKSA-N 410.468 5.365 0 40 HKAB COc1ccc(-c2ccc(CN3CCCC[C@@H]3CCN3CCC(C)CC3)cc2)cc1 57775524 GVKWYLOOINKHBB-AREMUKBSSA-N 406.614 5.839 0 40 HKAB CN(Cc1nc2ccccc2s1)C(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 57823652 WTVYXMWBKVOWNQ-GBXBDOIYSA-N 416.590 5.793 0 40 HKAB Cc1ccc(NC(=O)c2c(NC(=O)c3ccc(Cl)cc3)sc3c2CCCC3)cc1 58886081 NZJHLQMTGHJPBY-UHFFFAOYSA-N 424.953 6.093 0 40 HKAB CCCCOc1ccc(-c2cc3c(SCc4ccc(OC)cc4)nccn3n2)cc1 64700589 XZBKRXIYMNNYRG-UHFFFAOYSA-N 419.550 5.876 0 40 HKAB Cc1cc(NC(=S)Nc2cccc(OC(F)(F)F)c2)ccc1Br 71760902 CRWGIFDRLYGPSF-UHFFFAOYSA-N 405.239 5.465 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 72230055 UODNRJOJLHDRIW-JOCHJYFZSA-N 416.304 5.401 0 40 HKAB O=C(c1cnc2ccccc2c1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 72356485 PHPQYOIVFKXVIW-FQEVSTJZSA-N 411.480 5.456 0 40 HKAB COc1ccc(-c2c/c(=N\c3ccc(NC(C)=O)cc3)c3ccccc3o2)cc1OC 100751404 ABSTZGTWVHYLIW-SZXQPVLSSA-N 414.461 5.308 0 40 HKAB biogenic COc1ccc(-c2csc(-n3nc(/C=C/c4ccco4)cc3C(F)(F)F)n2)cc1 101385676 WRGPQFKGYUWHEA-RMKNXTFCSA-N 417.412 5.787 0 40 HKAB O=C(/C=C\c1ccccc1)N(C(=O)/C=C/c1ccccc1)C(=O)/C=C/c1ccccc1 104128535 GGOUTAXSTICLOM-FVVRQCOHSA-N 407.469 5.008 0 40 HKAB Cc1ccc(N[P@@](=O)(/C=C2\N(C)c3ccccc3C2(C)C)c2ccccc2)cc1C 105904454 DGBIDGAQALSJOJ-PGZTYAEFSA-N 416.505 6.588 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1 196385015 UFXZQGXVXHGFKS-UHFFFAOYSA-N 406.265 5.816 0 40 HKAB CCOc1ccc2ccccc2c1C(=O)NCc1ccc([C@@H](O)c2ccsc2)s1 207966415 ZUZZZANIKDVVAH-QFIPXVFZSA-N 423.559 5.373 0 40 HKAB O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccc2cc[nH]c2c1 211132426 LGKCEGKWWXAICT-UHFFFAOYSA-N 411.490 5.682 0 40 HKAB COc1cc(Cl)c(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 214081731 KJUBKDMUGQOSJA-CAOOACKPSA-N 424.305 5.247 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 222920639 QTVYXIQJMBOCJL-JOCHJYFZSA-N 414.977 5.144 0 40 HKAB O=C(c1cc2cc3ccccc3nc2s1)N1CCN(c2cccc(Cl)c2)CC1 223132704 MMFXMRHEWUQDLM-UHFFFAOYSA-N 407.926 5.065 0 40 HKAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccccc1SCc1ccccc1 223696692 NBXNHVWLSVUQMZ-UHFFFAOYSA-N 419.590 6.085 0 40 HKAB C[C@H]1CCCCN1c1ccc(NC(=S)NCc2ccc(-c3ccccc3)o2)cn1 223911191 ULAIRQGQYVENAM-KRWDZBQOSA-N 406.555 5.207 0 40 HKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 224356542 RASJOMUPTFPQGN-PMACEKPBSA-N 413.999 6.097 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccccc1C(C)C 224563228 QYDFBMRGJMZAOL-FQEVSTJZSA-N 417.549 6.279 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COCc1ccccc1 224754158 WFYMBBKRFDFLQN-SFHVURJKSA-N 407.485 5.432 0 40 HKAB O=C(c1ccc(Cl)cc1F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 224813918 FLKQZSMWAQRAAJ-UHFFFAOYSA-N 408.904 5.027 0 40 HKAB COc1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c2cccnc12 225877578 HYWJGPLQROJHHT-UHFFFAOYSA-N 405.567 5.475 0 40 HKAB CCOc1ccc(NC(=O)C(CC)(c2ccccc2)c2ccccc2)c2ccccc12 225935262 XAQYFVICJZSOHV-UHFFFAOYSA-N 409.529 6.573 0 40 HKAB Cc1cc(C)c2oc(-c3cc(Br)c[n+](Cc4cccc(F)c4)c3)nc2c1 226308173 XDOJVMJSRVLZDJ-UHFFFAOYSA-N 412.282 5.349 0 40 HKAB COC(=O)c1c(C)n(C(=O)c2ccc(-c3ccc(OC)c(Cl)c3)o2)c2ccccc12 226765025 NNNIZABDMKNCCW-UHFFFAOYSA-N 423.852 5.347 0 40 HKAB CCc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@@H](C)[C@H]4C)ccc32)c1-c1ccc(F)cc1 253573120 RAMFASYYRUIAST-WHSLLNHNSA-N 418.516 5.410 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)c1C 408697032 DVEGHIUITDCWIE-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccccc2F)nc1-c1ccc(F)cc1 408697372 GTYHFPRQRRVUKX-UHFFFAOYSA-N 424.838 5.427 0 40 HKAB CCN1C(=O)S/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)C1=O 409065073 HDGQSCFFYQCFOT-FYJGNVAPSA-N 423.921 6.128 0 40 HKAB CCc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccc(Cl)cc2)cc1 409109021 ZOVRSYQLPYWQHH-UHFFFAOYSA-N 419.981 6.751 0 40 HKAB COc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 409111424 AMJQERLJCHHWGG-UHFFFAOYSA-N 416.290 5.788 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@H](c2ccccc2)N3)c1 409114935 FHBLIRSVBJCXLW-BUFOOBCNSA-N 422.572 6.852 0 40 HKAB CCCOc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1Br 409360304 ZVIQMNMMOYKLGZ-SFQUDFHCSA-N 418.312 5.479 0 40 HKAB O=C(Nc1cccc2cccnc12)c1ccc(Br)cc1Br 682429 BSUQKXHDEVLSER-UHFFFAOYSA-N 406.077 5.012 0 40 HKAB Nc1c(C(=O)c2ccccc2)sc2nc3c(c(-c4cccs4)c12)CCCCC3 1250596 GJBZRCPSWITMLD-UHFFFAOYSA-N 404.560 6.107 0 40 HKAB Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1Br 1311581 ATIGSUYACBMSKB-UHFFFAOYSA-N 402.071 5.104 0 40 HKAB COc1cccc(C(=O)CSc2nc(C3CC3)nc3sc4c(c23)CCCC4)c1 1332799 VSCWVSKSMDESCN-UHFFFAOYSA-N 410.564 5.431 0 40 HKAB Cc1ccc2oc(C(=O)c3ccc(Cl)cc3)c(-c3cnn(-c4ccccc4)c3)c2c1 2051034 BLPYYZDZYLGYPB-UHFFFAOYSA-N 412.876 6.478 0 40 HKAB COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(c(OC)cc4ccccc34)O2)cc1 2069316 UYABAZNKMIFAFI-UHFFFAOYSA-N 424.496 6.215 0 40 HKAB biogenic CCOC(=O)CCc1c(C)c2ccc(OCc3cc(C)cc(C)c3)c(C)c2oc1=O 2093059 SZCYWJDWBGMBRM-UHFFFAOYSA-N 408.494 5.101 0 40 HKAB biogenic COc1ccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)cc1 2093503 IWPPSAYDMXZNTP-UHFFFAOYSA-N 416.290 5.788 0 40 HKAB CCCCCCOC(=O)c1c(N)n([C@@H](C)c2ccccc2)c2nc3ccccc3nc12 2409291 BXVLEJMBWDDUOL-KRWDZBQOSA-N 416.525 5.513 0 40 HKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1 2671135 GYSRTJSVTBPCJE-MRXNPFEDSA-N 412.986 6.328 0 40 HKAB Cc1ccc(NC(=O)c2ccc(COc3c(F)c(F)cc(F)c3F)cc2)c(C)c1 2754201 AMOMPZXKYGXJHI-UHFFFAOYSA-N 403.375 5.691 0 40 HKAB CC(=O)c1cccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc23)c1 2767064 GYVVIWKXOXKMSC-UHFFFAOYSA-N 414.892 6.319 0 40 HKAB O=C(NCCOc1ccccc1Cc1ccccc1)c1ccc2c3c(cccc13)CC2 3100886 DWYORHLXNCBLSE-UHFFFAOYSA-N 407.513 5.338 0 40 HKAB Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=N3)cc1 3189635 ROHLEPAAHCAKJO-DQEYMECFSA-N 406.489 5.108 0 40 HKAB CC(C)(C)c1cc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc(C(C)(C)C)c1 3216074 WRMZMEDYLCOHPW-UHFFFAOYSA-N 403.469 5.355 0 40 HKAB CC(C)CCOc1ccc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc1 3282565 DSGIQPRAMHXKPJ-CPNJWEJPSA-N 414.299 5.219 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c(F)cc(F)cc1Br 3446805 CQVLTKKFHWLFDY-UHFFFAOYSA-N 404.638 5.177 0 40 HKAB CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc([C@H](C)CC)cc2)cc1 3667550 HWCRCADETHWXDQ-BCHFMIIMSA-N 414.549 6.760 0 40 HKAB CC[C@]1(C)C[C@H]([C@@H](CCN(Cc2ccccc2)C(C)=O)c2ccc(OC)cc2)CCO1 4028183 SJNCWJQRIMYGPD-FXVJXKIMSA-N 423.597 5.813 0 40 HKAB biogenic CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4096710 YMMFNKXZULYSOQ-RUXQDQFYSA-N 420.678 5.554 0 40 HKAB endogenous,in-man Cc1ccccc1-c1nnc(SCC(=O)OC2CCCCC2)n1-c1ccccc1 4124527 LCDVYCPXIBTJLI-UHFFFAOYSA-N 407.539 5.211 0 40 HKAB CC(C)c1ccc2oc(-c3cc(NC(=O)COc4ccccc4)ccc3Cl)nc2c1 4690745 FYEYERYJNBRWRS-UHFFFAOYSA-N 420.896 6.289 0 40 HKAB CC(C)COP(=O)(COP(=O)(OCC(C)C)OCC(C)C)OCC(C)C 4705701 SNKKMOXCYCWVOO-UHFFFAOYSA-N 416.432 5.952 0 40 HKAB O=C(NCc1ccccn1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H](c1ccccc1)N2 5031880 NNDAFHZMYZKVOO-OMUDAWCKSA-N 409.533 5.308 0 40 HKAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(C(C)(C)C)cc1 5477654 LGFCTQDAADPDLD-UHFFFAOYSA-N 422.598 5.610 0 40 HKAB O=S(=O)(c1cccs1)N(Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 6049137 WGACDOMATCGGCG-UHFFFAOYSA-N 412.363 5.446 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1Br 6935158 PBKQTTCNHVWHAX-UHFFFAOYSA-N 417.347 5.336 0 40 HKAB C=CCc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc(OCC)c1OC 6959126 YUJMQEPLOPKEKJ-XSFVSMFZSA-N 409.507 5.059 0 40 HKAB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3cccc(C(=O)OC(C)C)c3)c2C)cc1 7375806 KGYJFTZTPOTNJX-SDNWHVSQSA-N 417.505 5.564 0 40 HKAB COc1ccc(-c2cc(NC(=O)CCc3c[nH]c4ccccc34)ccc2OC)cc1 8128477 ANSSZVVVJUCNCE-UHFFFAOYSA-N 400.478 5.423 0 40 HKAB CCOc1cc(CN[C@@H](C)CC)cc(Cl)c1OCc1ccc(Cl)cc1Cl 8326664 ZZXNWHRKLZSHCN-ZDUSSCGKSA-N 416.776 6.513 0 40 HKAB CCCOc1ccc(CN[C@@H](C)c2ccc(OC)c(Br)c2)cc1OCC 8395696 KIRXEGYOINSXOQ-HNNXBMFYSA-N 422.363 5.496 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1c1ccc(F)cc1 8756014 SAHBJYAJCMNCPO-KRWDZBQOSA-N 419.887 5.398 0 40 HKAB Clc1ccc(-c2cc(-c3nc4c5c6c(sc5ncn4n3)CCCCC6)n[nH]2)cc1 9410907 DOTVIYPMGKKYTA-UHFFFAOYSA-N 420.929 5.318 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 11690610 XPFTXKLAOOYXMK-HXUWFJFHSA-N 412.272 5.700 0 40 HKAB CC(=O)c1ccc(NC(=O)Cc2cnc(-c3ccc(OC(F)(F)F)cc3)s2)cc1 12322379 LSIAMLNXTXDILI-UHFFFAOYSA-N 420.412 5.093 0 40 HKAB COC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(C)cc2)[nH]c2ccccc12 13838090 IIGVODOKKYCPMK-AREMUKBSSA-N 424.500 5.252 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1)c1ccccc1 13999524 DFGHWAOTEAEYTB-LJQANCHMSA-N 424.500 5.348 0 40 HKAB O=C(Cc1csc(-c2ccccn2)n1)Nc1ccc(-c2nc3ccccc3o2)cc1 14801947 QSAMPYXBNFLUJN-UHFFFAOYSA-N 412.474 5.195 0 40 HKAB O=C(c1ccc(C2SCCS2)cc1)N1CCc2sccc2[C@H]1c1ccccc1 16963749 XVKHDFGZMSAIOT-OAQYLSRUSA-N 423.628 6.015 0 40 HKAB Cc1ccc(-c2nn(-c3ccc(F)cc3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C 17083081 CDDWCDVVLPXFNP-UHFFFAOYSA-N 404.916 7.232 0 40 HKAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 17089731 NDTGYKDCIYXEDP-SNQWNFELSA-N 413.974 5.245 0 40 HKAB CCCCN(C)c1nc(Nc2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1 17270224 CLAAOJWPWKYUIC-UHFFFAOYSA-N 406.921 5.449 0 40 HKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 20453217 GWPAFHGFSHXVHZ-IBGZPJMESA-N 408.542 5.080 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCC(C)C 20462232 DYVGLIDDHURBJL-HSZRJFAPSA-N 404.510 5.022 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1 20489831 YRHSDKWVDNZWFK-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB FC(F)(F)c1ccc(-c2noc(Cn3c(C(F)(F)F)nc4ccccc43)n2)cc1 23055666 NNDCWNCSNFAWGG-UHFFFAOYSA-N 412.293 5.172 0 40 HKAB O=C(CNCc1ccccc1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 31947329 TZCSGSGZPKDXGC-UHFFFAOYSA-N 413.515 5.649 0 40 HKAB CC(C)(C)[C@H]1CCCc2c(C(F)(F)F)nn(-c3nc(-c4ccccc4)cs3)c21 33435776 RYQCENUTCNMOPW-HNNXBMFYSA-N 405.489 6.481 0 40 HKAB CC(=O)Nc1ccc(CNC(=O)/C(=C/c2ccccc2)c2ccc(Cl)cc2)cc1 40047082 WQLTUUBKOFSBPY-HZHRSRAPSA-N 404.897 5.155 0 40 HKAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc(Cl)c4)ccc32)cc1 46078561 CJYQNLBNHNUWMK-UHFFFAOYSA-N 404.897 5.494 0 40 HKAB Cc1cc(C)c2cc(CN(C(=O)NC3CCCCC3)C3CCCCC3)c(=O)[nH]c2c1 57581585 GXBAGXNUJXJCQI-UHFFFAOYSA-N 409.574 5.322 0 40 HKAB CCCCOc1ccccc1-c1cc2c(=O)n(Cc3cc(C)ccc3C)ccn2n1 64977386 JYCUDFKGORZGJP-UHFFFAOYSA-N 401.510 5.007 0 40 HKAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)CCCc2ccccc2)n1 72378987 IJZXTDWNUISOMY-QFIPXVFZSA-N 402.542 5.077 0 40 HKAB CN(C)c1ncc(C(F)(F)F)cc1-c1ccccc1NC(=O)c1ccccc1Cl 91695525 ZKSOPXRZOQNYBI-UHFFFAOYSA-N 419.834 5.739 0 40 HKAB COc1cc(-c2n[nH]c(=S)n2-c2ccc(C)cc2)ccc1OCc1ccccc1 95929451 ZQVLXWFAWIPRNW-UHFFFAOYSA-N 403.507 5.493 0 40 HKAB Cc1c(-c2cc(Cl)ccc2Cl)sc2nc3sc4c(c3c(=N)n12)CCCC4 101278352 WYCFPMVFBVXNGH-UHFFFAOYSA-N 420.390 6.251 0 40 HKAB C[C@@H]1CC2=Nc3ccccc3N(C(=O)c3ccc(F)cc3)[C@H](c3ccco3)C2=C(O)C1 102602394 ZKDVTHHTAVANNE-OYLFLEFRSA-N 416.452 6.135 0 40 HKAB Cc1ccsc1[C@H]1C2=C(O)CCCC2=Nc2nc(SCc3ccccc3)nn21 102659785 ZMQVPWQDQXYQHZ-GOSISDBHSA-N 408.552 5.612 0 40 HKAB CC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)[C@H](C)c1cccs1 102720533 BXEUCOHZDIOKBI-JHMXWDHMSA-N 413.627 6.129 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(/C=C\c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 118915018 FLDVEKQSXXBPDV-FJXNACGLSA-N 418.621 7.211 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC([N+](=O)[O-])=C4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118924497 IIZJIZFOGQTBIO-VHHOZFFRSA-N 415.662 8.022 0 40 HKAB O=C(Cc1ccc(F)cc1F)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 208005585 SXYTXOQVIFECMD-UHFFFAOYSA-N 422.460 5.408 0 40 HKAB COc1ccccc1N1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O 210130526 YKQJMJUNLOYEOX-UNOMPAQXSA-N 411.866 5.850 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)c1cnc(-c2ccc(Cl)cc2)nc1 222608198 QLIYKOUVZBCOHR-UHFFFAOYSA-N 417.921 6.201 0 40 HKAB COc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)s2)cc1 223331840 JUFAWSUXQROAHC-OAHLLOKOSA-N 411.527 5.052 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2C)cc1COc1ccccc1C(C)C 224563836 TUFPQUTULOVIKO-UHFFFAOYSA-N 403.522 6.348 0 40 HKAB COc1cc(C)c(S(=O)(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1C(C)C 225039235 AKMCNPMFKZNZGB-IBGZPJMESA-N 417.571 5.016 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1C 225279740 OQNREBSQHCCKEB-OSVNEOKWSA-N 404.535 5.013 0 40 HKAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 225793987 GHGDUPDGORHACC-UHFFFAOYSA-N 405.807 5.300 0 40 HKAB Fc1cccc(Cc2ccc([C@@H]3CCCN(Cc4ccnc5ccccc45)C3)nc2)c1 257334808 YHLFNRUQFSGOPK-HSZRJFAPSA-N 411.524 5.739 0 40 HKAB Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)cc2)cc1 260778098 QZBUKWUQEYPNKL-NLSFWIRASA-N 417.603 6.131 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3C)n2)cc1 408724501 LGQOLJYHCWYYTF-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB COc1cc(CNc2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 409111867 DLASIYOOWYTIEE-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB c1ccc(-c2cc(-c3ccccc3)nc(SCc3cccc4ccccc34)n2)cc1 409120107 RQCHFMHOGQTDKI-UHFFFAOYSA-N 404.538 7.256 0 40 HKAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)c1 409191048 ROQHWOJSEVHDCS-DEDYPNTBSA-N 408.910 5.988 0 40 HKAB Cc1s/c(=N\C(=O)c2ccccc2-c2ccccc2)n(C)c1-c1ccc(F)cc1 409207380 VUOQGSMVHQMFSN-LCUIJRPUSA-N 402.494 5.609 0 40 HKAB COC(=O)[C@@H](C)c1ccc(C(=O)CC(C)(C)C)c(-c2ccc(C(F)(F)F)cc2)c1 575362714 UQUPPIRXOWDSRB-AWEZNQCLSA-N 406.444 6.268 0 40 HKAB Cc1ccc(-c2csc(N(Cc3ccccc3)C(=O)COc3ccccc3)n2)cc1 932671 NBROYOUTYYFNBB-UHFFFAOYSA-N 414.530 5.731 0 40 HKAB Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Oc3cccc4ccccc34)c2c1 2078922 CCRULZWMXAMHKB-UHFFFAOYSA-N 423.899 7.236 0 40 HKAB O=C1N/C(=C\c2ccccc2Sc2ccccc2)C(=O)N1c1cccc(Cl)c1 2116406 RZIDIJNGIUJUDN-UYRXBGFRSA-N 406.894 5.589 0 40 HKAB COc1ccc(-c2nnc(S[C@H]3CCCCC3=O)n2-c2ccc(Cl)cc2)cc1 2624304 VEIZVNPICHABQR-IBGZPJMESA-N 413.930 5.200 0 40 HKAB CCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc23)cc1 2745345 OXLKQABTBSGUMN-UHFFFAOYSA-N 424.500 6.029 0 40 HKAB COc1ccc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1c1ccc(C)cc1 2746655 AZTHDGHGNMVTAJ-OAQYLSRUSA-N 423.310 5.537 0 40 HKAB Cc1ccc(C(=O)COC(=O)CSC(c2ccccc2)c2ccccc2)c(C)c1 3434065 PDJFOAKRSBKDFF-UHFFFAOYSA-N 404.531 5.552 0 40 HKAB CCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)c(Cl)c2)cc1 3666303 NHCCHXYSTTYPCJ-XMMPIXPASA-N 420.940 6.598 0 40 HKAB Fc1ccc(C2=NN(c3ccccc3Br)[C@@H](c3ccc(F)cc3)C2)cc1 4199447 GNVRHFSSIOAAAL-OAQYLSRUSA-N 413.265 6.083 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@]4(O)[C@@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4293029 UJDBZVSBLYRMDU-DVHNOSEHSA-N 418.706 6.830 0 40 HKAB C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)c1ccccc1Cl 4500458 MBVKTMPUUNHYLE-KBPBESRZSA-N 404.942 5.536 0 40 HKAB Cc1ccc(-c2cnc(NCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2C)cc1 4678690 TUDSZPMEZAYZJL-UHFFFAOYSA-N 405.586 6.308 0 40 HKAB Cc1ccc(NC2=C(CC(=O)O)[C@@H](c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 4719456 VCMHRZWYIXKDQZ-RUZDIDTESA-N 412.489 5.232 0 40 HKAB FC(F)(F)c1cccc(/N=c2\oc3ccccc3cc2-c2nc3ccccc3[nH]2)c1 5125373 DENXOWMYLRSTQG-QYQHSDTDSA-N 405.379 6.227 0 40 HKAB c1ccc(-c2nc(N3CCN(c4ccccc4)CC3)c3oc4ccccc4c3n2)cc1 5164952 KUZIOILYFVNKHN-UHFFFAOYSA-N 406.489 5.370 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(C)cc1 6350979 PJCWCMADXSWAPD-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@H]3C)n2-c2ccccc2)c1 6422340 ZQQWGYWVIRRUAT-NQIIRXRSSA-N 420.582 5.030 0 40 HKAB O=C(Cc1coc2ccc3ccccc3c12)NCCC(c1ccccc1)c1ccccc1 6474705 RPEVEPFVQXSMGA-UHFFFAOYSA-N 419.524 6.467 0 40 HKAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1ccc2ccccc2c1 6543675 XJENDLKOSYTSON-UHFFFAOYSA-N 409.561 5.547 0 40 HKAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc(Oc2ccccc2)cc1 7577444 NABUQESJJCIUKO-CYBMUJFWSA-N 412.540 5.024 0 40 HKAB CCc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 8339089 IDNKBCHUHZVGCP-UHFFFAOYSA-N 409.342 5.133 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCCC[C@@H]1C 8428471 YEZCMNLBYNIZBA-KRWDZBQOSA-N 414.571 5.022 0 40 HKAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=Cc5n[nH]c(C(F)(F)F)c5C[C@@]4(C)[C@@H]3CC[C@]12C 8615173 RMQCASHVRADDSY-PIIMTLLZSA-N 422.491 5.542 0 40 HKAB Cc1cc(C)c(NC(=O)CN(C)Cc2nc(-c3c[nH]c4ccccc34)cs2)c(C)c1 8703941 QOJHRICSQZJBFA-UHFFFAOYSA-N 418.566 5.287 0 40 HKAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N[C@@H](C)c1cccs1 8762948 NAIQPCHENPKAOH-KRWDZBQOSA-N 417.534 5.160 0 40 HKAB COc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)cc(Cl)c1OC(C)C 12923501 ZFMVVTJNWAFPHW-UHFFFAOYSA-N 402.903 5.512 0 40 HKAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3[C@H](C)c3ccccc3)CC2=O)c1 13806239 NTCCPBNKSHTEFN-QUCCMNQESA-N 411.505 5.175 0 40 HKAB CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1Cl 14649183 UOLCZOVEVVYFCO-UHFFFAOYSA-N 417.130 6.187 0 40 HKAB CCCCc1nnc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)s1 14661130 HXLVATBYWBNCKY-UHFFFAOYSA-N 409.540 5.047 0 40 HKAB CCOc1ccc(-c2nnc(SCc3nc4ccccc4n3C(F)F)o2)cc1 14902856 DRXRNHSZOFOEPK-UHFFFAOYSA-N 402.426 5.172 0 40 HKAB COc1cccc(C[C@H]2C(=O)Nc3ccc(Br)cc32)c1OC1CCCC1 15017888 PFUPSMHPJRDROX-QGZVFWFLSA-N 416.315 5.058 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2C)cc1 15408807 GCCAFCQNAYXKIR-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NC2CCCCCC2)cc1OC 15525533 MTPZJCNJUPFGMN-UHFFFAOYSA-N 419.525 5.009 0 40 HKAB Cc1cccc(NC(=O)N(Cc2cccc(Cl)c2)c2nnc3n2CCCCC3)c1 16769884 OZCXNOGMKJAGEI-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB Cc1ccc([C@@H](C)C(=O)N2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1 19135797 FOSDSNOWHXGXPM-CQSZACIVSA-N 413.468 5.287 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)c4ccc(OC(C)C)cc4)ccc3o2)c1 21579134 VUCKQPQUZYCVLE-UHFFFAOYSA-N 402.450 5.543 0 40 HKAB O=C(CCc1ccc(-c2ccccc2F)o1)Nc1nc(CN2CCCCC2)cs1 22290288 SZLRHKAFLKPGKW-UHFFFAOYSA-N 413.518 5.099 0 40 HKAB CSc1ccc(Cl)c(C(=O)Nc2ccc(Br)c3cccnc23)c1 27930207 FXANMTCRNRHQOG-UHFFFAOYSA-N 407.720 5.625 0 40 HKAB COc1ccc(CN(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c2ccccn2)cc1 27989687 WOTSVRANKIPAPP-KRWDZBQOSA-N 410.901 5.053 0 40 HKAB COc1ccc(Cn2nccc2NC(=O)c2oc3cc(C)c(Cl)cc3c2C)cc1 28580677 DEDPXPHRMNQLLI-UHFFFAOYSA-N 409.873 5.209 0 40 HKAB c1ccc(C(c2ccccc2)N2CCN(c3nc(-c4cccs4)cs3)CC2)cc1 32109940 QQGPKRKJVXBZBZ-UHFFFAOYSA-N 417.603 5.783 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)C1CCN(Cc2ccccc2F)CC1 39765551 LAXDSXPMSUSBKC-UHFFFAOYSA-N 420.553 5.828 0 40 HKAB C[C@@H](NC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 40024134 MLHIQBUEWOIWTO-VXGBXAGGSA-N 404.354 5.846 0 40 HKAB CCc1nn2c(nnc3c(=O)n([C@@H]4CCCC[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40395903 YGLDQCYLBABFEF-KBXCAEBGSA-N 421.932 5.073 0 40 HKAB CCn1c(CNC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)nc2ccccc21 83843335 VSOBFTHJDVQKAG-GOSISDBHSA-N 417.340 5.410 0 40 HKAB Cc1cc2n(n1)[C@@H](C)C[C@H](C(F)(F)F)N2C(=O)c1ccc(SC(F)(F)F)cc1 89610758 JKJDNNZMDMRFRB-GXFFZTMASA-N 423.382 5.346 0 40 HKAB CCC(CC)C(=O)NC[C@H]1CC[C@H](c2nc(C3CC3)ncc2-c2cc(C)no2)CC1 100743919 SURVSAMFOPWPKR-MAEOIBBWSA-N 410.562 5.144 0 40 HKAB Cc1ccc(C2=NN3[C@H](c4ccncc4)Oc4c(Cl)cc(Cl)cc4[C@H]3C2)cc1 102721649 TXYBUJYWYJCOPK-IRLDBZIGSA-N 410.304 5.939 0 40 HKAB Cc1cccn2cc(-c3ccccc3NC(=O)[C@@H](C)Oc3ccccc3Cl)nc12 206900991 RQJALXDTGDRARG-MRXNPFEDSA-N 405.885 5.369 0 40 HKAB Cc1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3cccc4ncccc34)sc2n1 215676429 GPYBRHYXUDLYOM-UHFFFAOYSA-N 402.401 5.006 0 40 HKAB O=C(COc1ccc(Br)cc1Cl)Nc1ccc(OC2CCCC2)cc1 218946372 QTZYDUVQZMRUEP-UHFFFAOYSA-N 424.722 5.441 0 40 HKAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl 222776327 NXZQASRBMTYHGH-RTBURBONSA-N 417.365 5.172 0 40 HKAB CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2O1 223961605 WSGNYIBGXVMQMY-MBSDFSHPSA-N 407.554 5.532 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1cc(C)cc(C)c1C 224276379 LVYRQXGWSVUJHI-UHFFFAOYSA-N 417.549 6.575 0 40 HKAB Cc1cc(C)cc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)c1 224704498 PNWISRZUJIAUCL-JOCHJYFZSA-N 420.597 5.021 0 40 HKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 225023408 RSDWBEKEIRFFPZ-VWLOTQADSA-N 420.597 5.184 0 40 HKAB COc1cc(C)c(S(=O)(=O)NCCCc2cccc3ccccc23)cc1C(C)C 225695181 ATXSMWIOFIAUEM-UHFFFAOYSA-N 411.567 5.191 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1snnc1-c1ccc(Cl)cc1 225770189 KDZKQIIBJQSXFX-UHFFFAOYSA-N 418.227 5.783 0 40 HKAB COC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 226341296 BFTMWPBSUCCGOV-VOTSOKGWSA-N 416.098 5.521 0 40 HKAB Cc1cc(N)cc(Cl)c1NC(=O)/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 227145875 FMJSSOGTMAIDFL-QPJJXVBHSA-N 421.711 6.449 0 40 HKAB COc1ccc2c(c1)CCC[C@@H]1O[C@@H]3c4cc(CC(=O)O)ccc4OC(C)(C)[C@H]3C[C@@H]21 257225053 FEPGKIWWOZPVSB-FGJSELGCSA-N 422.521 5.060 0 40 HKAB CC(C)(C)c1cc(SCC(=O)Nc2ccccc2Cl)cc(C(C)(C)C)c1O 408555600 YCVLZDYNYDHJNH-UHFFFAOYSA-N 405.991 6.371 0 40 HKAB CCc1s/c(=N\C(=O)c2ccc(F)cc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408562662 RFMUAVVXVZCYBI-GFMRDNFCSA-N 423.340 5.986 0 40 HKAB CCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Cl 408595680 RBONXFYPLVLSAJ-UHFFFAOYSA-N 403.887 5.332 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 408637594 APXHNKZFBQSSAD-SNVBAGLBSA-N 417.214 5.004 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2ccccc2C)cc1 408697875 MDUZGETULRSPIV-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB Cc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 408973204 KGBKYXNNFMRJDL-RUZDIDTESA-N 416.546 5.064 0 40 HKAB CN(C)CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 1614994820 OZKMSZAHCFCUPI-HSZRJFAPSA-N 421.928 5.052 0 40 HKAB CN(C)c1ccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)cc1 929823 OXRUAAJYXCZDGY-UHFFFAOYSA-N 420.563 5.155 0 40 HKAB COc1ccccc1-c1c(C)oc2cc(OCc3ccc(Cl)cc3)ccc2c1=O 1321812 QYMHDBBIRZMROD-UHFFFAOYSA-N 406.865 6.009 0 40 HKAB biogenic CCC(=O)N(CC[C@H](c1ccccc1)c1ccc(OC)cc1)C[C@H]1CCOC(C)(C)C1 1323159 LZDDYPLHIJEGQH-SQJMNOBHSA-N 423.597 5.661 0 40 HKAB biogenic COc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 1447703 WXNLZRCLKIZONU-UHFFFAOYSA-N 406.489 6.148 0 40 HKAB O=C(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccc(Cl)cc1 1597729 SMGVQZFGGUDSBZ-UHFFFAOYSA-N 404.891 6.826 0 40 HKAB CCCCCOc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1 1770950 JXKXUKRQSOHKCD-UHFFFAOYSA-N 410.819 6.701 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)cc(C)c4o3)c2)c(C)c1 1848983 MBLJKKXONNETKT-UHFFFAOYSA-N 404.897 6.634 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cc(Cl)ccc1Cl 1882926 KZTZRFJDYSHOBM-UHFFFAOYSA-N 417.679 6.707 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2ccccc2)nc2ccccc12 2078787 VLJDSZKYZWEGMK-UHFFFAOYSA-N 416.480 6.946 0 40 HKAB COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCCCCC2 2081773 MCDCRDLJEMELGS-JLHYYAGUSA-N 403.931 5.499 0 40 HKAB CC(C)(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1 2248050 JJMBORXTRJINPB-QFIPXVFZSA-N 410.473 5.235 0 40 HKAB Cc1ccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1Cl 2257591 SDUMGTGMJDOQNY-UHFFFAOYSA-N 405.288 6.251 0 40 HKAB CCn1c(NC(=O)c2cccs2)c(-c2ccccc2Cl)c(=O)c2ccccc21 2434358 OAUCYPMWUPCYMO-UHFFFAOYSA-N 408.910 5.656 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)OC3 2479285 BLUWTSIRDQPYDV-UHFFFAOYSA-N 400.569 5.109 0 40 HKAB COc1ccc(-c2nnc3c4cc(F)ccc4n(Cc4cccc(F)c4)cc2-3)cc1 2689787 MSDNHUIFEZEFED-UHFFFAOYSA-N 401.416 5.538 0 40 HKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C(c1ccccc1)c1ccccc1 2736258 IUBBLYRALNJAAR-UHFFFAOYSA-N 420.537 6.734 0 40 HKAB O=C(NCCCCc1ccccc1)c1cc(-c2ccccc2Cl)nc2ccccc12 2738439 WXQQNARUNLTUFI-UHFFFAOYSA-N 414.936 6.308 0 40 HKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)NCc1ccco1 3225032 ZARJBUNCOSNJEC-OUKQBFOZSA-N 409.445 5.208 0 40 HKAB Brc1ccc(OCCSc2nnc(NCc3ccccc3)s2)cc1 3361337 CHZKWKGSZNFTIR-UHFFFAOYSA-N 422.373 5.084 0 40 HKAB COc1ccc([C@H]2OC[C@@]3(COC(=O)Nc4ccccc4)[C@@H](C)C=C(C)[C@@H]2[C@H]3C)cc1 4025682 OGCHLIHOPGTPPY-HSSALKBRSA-N 421.537 5.850 0 40 HKAB O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1ccc(Cl)s1 4070813 UAZFCYGBWOVFBP-UHFFFAOYSA-N 405.751 5.601 0 40 HKAB CC(C)CC[C@@H](CC(=O)Nc1ccc(OC(C)C)cc1)c1ccc(OC(C)C)cc1 4084327 FQTHXKCSLJHNQB-QFIPXVFZSA-N 411.586 6.810 0 40 HKAB biogenic Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)COc1ccc(C(C)C)cc1 4122469 KXBFMCKJOVYWFQ-UHFFFAOYSA-N 401.466 5.339 0 40 HKAB CC(C)(C)c1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccccc3)cs2)cc1 4188747 XELRLEPWFFGXMV-NRFANRHFSA-N 420.578 5.933 0 40 HKAB CCN(CC)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 4785804 YECNOOHVUUHVQP-UHFFFAOYSA-N 418.566 5.604 0 40 HKAB O=S(=O)(c1cc(Cl)ccc1Cl)N(Cc1ccccc1)Cc1ccccc1 4832059 QPUYJMZBSPFMMV-UHFFFAOYSA-N 406.334 5.385 0 40 HKAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4C(C)C)c(=O)c23)cc1 5318031 JKWZCCZBYUUMNW-UHFFFAOYSA-N 417.534 5.196 0 40 HKAB COc1ccc(-c2csc(NC(=O)Cc3cccc4ccccc34)c2C(=O)O)cc1 5417784 WIBJCBNMOLAALK-UHFFFAOYSA-N 417.486 5.456 0 40 HKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 5471352 OFAZDSUCURSCGK-LJQANCHMSA-N 403.522 5.969 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 5598720 BGUYJBLLMZUMKR-UHFFFAOYSA-N 422.550 5.173 0 40 HKAB Cc1ccccc1-n1c(C)nnc1S[C@@H](C)C(=O)c1ccc(Br)cc1 5619557 DRCIIDWAXQXNBH-ZDUSSCGKSA-N 416.344 5.010 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC1C2CC3CC(C2)CC1C3 6321121 LWGRCIQKXSIZMU-ZZXKWVIFSA-N 416.348 6.208 0 40 HKAB Brc1ccc(C2=C[C@@H](c3cccc4ccccc34)[C@@H]3N=NNC3=N2)cc1 6455342 MSEFQYCCXCIQEH-ICSRJNTNSA-N 403.283 5.478 0 40 HKAB CCOc1ccc(C2=NNC(c3cccs3)=Nc3ccc(F)cc32)cc1OCC 6601877 HZIFJMSLGQFEQA-UHFFFAOYSA-N 409.486 5.119 0 40 HKAB CCOc1ccc(-n2c(SCC(=O)c3ccc(C)cc3C)nc3ccccc32)cc1 6618003 KFULSHDBTUMFJZ-UHFFFAOYSA-N 416.546 6.016 0 40 HKAB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C 6966763 UHWWYPWYCBDMGC-ATVHPVEESA-N 409.411 5.659 0 40 HKAB CCN(CC)C(=O)[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1 7074035 CGIZYMMBCBJDPV-QGZVFWFLSA-N 419.472 5.350 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(N2CCCCC2)cc1 7505056 HXJMIRADTGIJLO-UHFFFAOYSA-N 416.590 6.530 0 40 HKAB Cc1c(Cl)cccc1-n1c(SC[C@H]2CCCCO2)nc2ccccc2c1=O 7793340 ZGCLNVIPMDJXJO-OAHLLOKOSA-N 400.931 5.009 0 40 HKAB O=C(COCc1nc2ccccc2s1)Nc1ccc(OCc2ccccc2)cc1 7910935 JXCJGGVBPIAPCX-UHFFFAOYSA-N 404.491 5.031 0 40 HKAB Cc1c(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)oc2c(F)cccc12 7987729 JVCSDAARDHBHSB-CQSZACIVSA-N 410.470 5.316 0 40 HKAB CCC[C@@H](NC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1 8189074 VQUDCUFYSLKRGD-DNVCBOLYSA-N 420.538 5.356 0 40 HKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3Cl)CC2=O)cc1 8361842 LETPFLSXKMGTDY-IBGZPJMESA-N 415.924 5.567 0 40 HKAB O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1Cc1ccc(F)cc1Cl 8757180 YPINBZRDNVTXOU-UHFFFAOYSA-N 417.871 5.192 0 40 HKAB O=C(Nc1cccc(Cl)c1)Nc1nc(C(=O)NCc2ccc(Cl)cc2)cs1 9319539 PSLVMPPOQZDEIF-UHFFFAOYSA-N 421.309 5.024 0 40 HKAB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCCO2 12567204 GGODXWLFYWLBJV-RUZDIDTESA-N 401.506 5.103 0 40 HKAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(Br)cc1Cl 12733287 KHOABASKGLJRSE-UHFFFAOYSA-N 408.708 5.182 0 40 HKAB CCOc1cccc2cc([C@H](C)NC(=O)c3cc(F)ccc3Br)oc12 12734421 GIAHDOKSPXFGBS-NSHDSACASA-N 406.251 5.224 0 40 HKAB Oc1nc(CN2CCc3sccc3[C@@H]2c2ccccc2)nc2ccc(Cl)cc12 12751573 OCUPROJAEOWSEY-NRFANRHFSA-N 407.926 5.198 0 40 HKAB C[C@H](N[C@H](C)c1ccco1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 12819734 YPCWSPVXXRAYII-CVEARBPZSA-N 405.523 5.158 0 40 HKAB O=Cc1cc(Br)ccc1OCc1csc(COc2ccc(F)cc2)n1 12902511 LRBYHKASFCQQOI-UHFFFAOYSA-N 422.275 5.015 0 40 HKAB O=C(Cc1c(F)cccc1Cl)N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 14185219 NRSJVYYNRWENBU-NRFANRHFSA-N 419.830 5.529 0 40 HKAB C[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)cc1F 17316003 TXHSXAIDGNVTSQ-AWEZNQCLSA-N 400.856 5.721 0 40 HKAB Fc1ccc([C@@H]2COC[C@H]2N(Cc2ccncc2)Cc2c(F)cccc2Cl)cc1 19292574 WJQGCMLDHSUINZ-NZQKXSOJSA-N 414.883 5.198 0 40 HKAB O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccccc1Cl)c1ccccn1 20722964 HXFTYCBBJKHGHM-UHFFFAOYSA-N 422.937 5.400 0 40 HKAB Cc1ccc(C)c(Sc2ccc(NC(=O)CSc3nnc4ccccn34)cc2)c1 21235055 QGZOVDMMMJCIBO-UHFFFAOYSA-N 420.563 5.228 0 40 HKAB O=C(Cc1cccs1)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 22714512 SVDDYDUUFZFQGG-UHFFFAOYSA-N 404.516 5.284 0 40 HKAB Clc1ccc(-c2nc(CNC[C@H](c3cccs3)N3CCCC3)cs2)cc1 23257858 RCZIKTKMVRZOCE-GOSISDBHSA-N 404.004 5.452 0 40 HKAB COc1ccc([C@@H](NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)C(C)C)cc1 25158187 WTHFYBGMMDKLCN-SFHVURJKSA-N 402.560 5.177 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3ccccc3Cl)N(C)C)sc2c1 28287537 XEZNTQNNOULZOV-MRXNPFEDSA-N 407.366 5.549 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1C 28291096 VLGUVPOTNLJEPY-KRWDZBQOSA-N 412.892 5.492 0 40 HKAB CC(=O)OC1=Cc2ccc3c(c2CC1)CC[C@@]1(C)[C@H]3CC[C@@H]1[C@H](C)CC[C@H](C)C(C)C 36371802 FUUPHHVMOSNLTD-JFRXYPKCSA-N 422.653 7.691 0 40 HKAB COC(=O)c1cccc(Cn2nc(-c3ccc(C)cc3)c(C)c2-c2ccc(C)cc2)c1 36611254 CYRGKPNDSDDTHI-UHFFFAOYSA-N 410.517 5.977 0 40 HKAB CC(C)C[C@@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccccc1 44844811 NAFKIMMLNPUCGR-HXUWFJFHSA-N 418.375 5.855 0 40 HKAB CC(C)Oc1cccc(CCCNC(=O)c2ccc(CN3CCCCCC3)cc2)c1 44916236 AQURBMZQYYDLNR-UHFFFAOYSA-N 408.586 5.212 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(Nc3ccc4ccccc4c3)sc2Cl)cc1 57291949 YNSNDXAJDKVAJF-UHFFFAOYSA-N 414.939 5.835 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Br)cc1Cl 57313709 OCWQRMGKHWYCCG-DHZHZOJOSA-N 402.675 6.014 0 40 HKAB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(c4ccccc4)C3=O)o2)cc1 59418145 GTIDIGHHQNCEOF-XSFVSMFZSA-N 419.458 5.364 0 40 HKAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1C 67294439 ZAFAYYRGPWJBOM-PNHLSOANSA-N 402.881 6.188 0 40 HKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1Cc1ccccc1)C1CC1 72215408 LKLGOPVPOTVMGY-QFIPXVFZSA-N 407.558 5.713 0 40 HKAB COc1ccc([C@@H](C)N(C(=O)c2scnc2C)C2CCC(C)CC2)c(OC)c1 72269948 GVIIHOUAPJEARG-ARWYELJZSA-N 402.560 5.251 0 40 HKAB O=C(c1cnc2ccc(Cl)cc2c1NCc1ccccc1Cl)N1CCCCC1 72328469 VQVRVXMAJGDROF-UHFFFAOYSA-N 414.336 5.780 0 40 HKAB O=C(CCc1ccccc1)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 72359467 OXLZFXBWXCAPRC-HXUWFJFHSA-N 405.929 5.136 0 40 HKAB CC(C)COc1cccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 84544464 QLUSQSSEVPPYLI-UHFFFAOYSA-N 401.812 5.411 0 40 HKAB O=C(CCCc1nc2ccccc2[nH]1)N1CCC[C@@H]1c1cccc(Br)c1 95365201 RRJJPTKTVOSNFJ-LJQANCHMSA-N 412.331 5.012 0 40 HKAB COC(=O)/C(=C\Nc1ccc(Cl)cc1F)c1ncc(C(F)(F)F)cc1Cl 100273607 ABGYRGUSLOBLGX-YFHOEESVSA-N 409.166 5.172 0 40 HKAB COc1ccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 107040485 DYIVSIFKPHBZKN-UHFFFAOYSA-N 403.909 6.693 0 40 HKAB O=C(NCc1ccccc1Cl)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 113952525 ADCWECVAGZWHRV-UHFFFAOYSA-N 411.760 5.175 0 40 HKAB C[C@H]([C@@H]1CC[C@@H](C)CN1)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932692 PNCADIYJKRZFGU-XRJKUTBASA-N 417.678 5.001 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 197793728 XZZTZVCPQFIBGS-UJKMTWAASA-N 420.295 5.390 0 40 HKAB O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccccc1Cl 214092893 CSJPKXGJNOBJAG-KGENOOAVSA-N 421.905 6.369 0 40 HKAB CC(=O)Nc1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 216422847 VZXHJWIFAKRJOT-UHFFFAOYSA-N 406.507 5.068 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)c(Br)c1 218866239 XXIKBCBNTBMGRM-UHFFFAOYSA-N 418.331 5.350 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2ccccc2Cl)no1 219353095 ZADTUMPIOUHFKC-HXUWFJFHSA-N 421.884 5.017 0 40 HKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 222890396 GCRXTZBSEPXFMV-BJKOFHAPSA-N 412.562 5.408 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)c1 223144873 QBHBFJPYHVKRBW-OFNKIYASSA-N 421.581 6.229 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)NCCOc1ccc2ccccc2c1 223583083 UDJCVPAUMNDXCJ-UHFFFAOYSA-N 420.361 5.575 0 40 HKAB Cc1cc(C)cc(OCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 224097633 BWIXDBGGXCVWLW-UHFFFAOYSA-N 409.913 5.345 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1COCC(C)C 224450042 ZEOVCXCFKAXGMZ-UHFFFAOYSA-N 415.839 5.792 0 40 HKAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 224690835 YOMQYWQURVNQJD-OAQYLSRUSA-N 422.613 5.169 0 40 HKAB O=C(Nc1ccc(N2CCCC2)cc1)c1cc(Cl)ccc1OCc1ccccc1 224928321 VSROHZHAYJIQIO-UHFFFAOYSA-N 406.913 5.772 0 40 HKAB C[C@@H](O)c1ccc(C2(CNC(=O)NCc3cccc4ccccc34)CCCC2)s1 225686059 CWQHOBJZXRJJAK-QGZVFWFLSA-N 408.567 5.266 0 40 HKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225735467 RIIBGSXKYIFXSJ-RUZDIDTESA-N 418.622 5.501 0 40 HKAB Cc1ccc(NC(=S)NCCCc2ccc(C(C)C)cc2)cc1N1CCCC1=O 225807544 UGDLUEASXKWVPG-UHFFFAOYSA-N 409.599 5.164 0 40 HKAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccccc1Br 408561088 GMWZBJMZXGQSQF-VZCXRCSSSA-N 401.329 5.049 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1nc(C(F)(F)F)c(-c2ccccc2)s1 408561898 LKKNREUNEPBAPN-UHFFFAOYSA-N 412.820 5.743 0 40 HKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3cc(Cl)ccc3C)n2)c1 408698404 NKKMVJYILIYKGR-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCC[C@@H](C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408703028 DEQBXGQRXPRBAN-IVZQSRNASA-N 416.974 5.033 0 40 HKAB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C\c1ccc(C(=O)O)cc1 408969072 GULSMUHMHXPZMU-QPEQYQDCSA-N 418.257 5.251 0 40 HKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1C 409103565 DIZQVPSULJWHAD-UHFFFAOYSA-N 403.526 5.906 0 40 HKAB COC(=O)c1c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)sc2c1CCCC2 409117709 OOOCNHPKFPVEGO-NSHDSACASA-N 409.960 5.186 0 40 HKAB Cc1ccc(NC(=O)CCC(=O)OC(c2ccccc2)c2ccccc2)cc1Cl 409181940 GYJWYCFRHYDPTB-UHFFFAOYSA-N 407.897 5.700 0 40 HKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(F)c1 409199482 OAOHWWSFRSJJDG-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccccc3Cl)[C@](O)(C(F)(F)F)[C@@H]2C1 409357232 PMFZZMFCAJYNOR-BBEGDGIKSA-N 416.871 5.255 0 40 HKAB O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 521954537 YBGAVQBLNTUGSC-BXWFABGCSA-N 415.415 5.175 0 40 HKAB O=C(c1cc2cccc(F)c2[nH]1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 2037846592 SKUNNGRSICJQDP-NRFANRHFSA-N 421.447 5.392 0 40 HKAB C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 2061000612 XYNPYHXGMWJBLV-GAOZPWBDSA-N 415.662 5.367 0 40 HKAB O=C(COC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccccc1 992738 BWCDNQBXTIIDJS-UHFFFAOYSA-N 401.849 5.595 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 1358439 GSIPQYQQGZGNOM-GFCCVEGCSA-N 422.838 5.647 0 40 HKAB COc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)c1 1360502 KGOAUYLRCFHJSC-IBGZPJMESA-N 419.525 5.063 0 40 HKAB O=C(CSc1nc(C2CCCCC2)nc2ccccc12)Nc1ccc2c(c1)OCO2 1376438 CJAMGNUXTNZHAQ-UHFFFAOYSA-N 421.522 5.137 0 40 HKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(NC[C@@H]4CCCO4)ncnc32)cc1 1447741 ALSOTDFNRXSEJA-NRFANRHFSA-N 414.509 5.077 0 40 HKAB CCOc1ccc(-c2cc(OC(=O)c3ccccc3)c3c(C)oc(C)c3c(=O)c2)cc1 2097120 USLHHZFPPOVRQV-UHFFFAOYSA-N 414.457 5.695 0 40 HKAB biogenic Cc1ccc(NC(=O)c2c(N)n(-c3ccc(C)c(C)c3)c3nc4ccccc4nc23)cc1 2291537 VFOLVWGYFCWTPN-UHFFFAOYSA-N 421.504 5.333 0 40 HKAB CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(C(C)(C)C)cc1 2451622 VZNFUGHZDHGUQA-UHFFFAOYSA-N 419.516 6.574 0 40 HKAB O=C(Nc1cccc(Oc2c(F)c(F)c(F)c(F)c2F)c1)c1ccc(Cl)cc1 2559388 WZZOQNOZBIMGJC-UHFFFAOYSA-N 413.729 6.080 0 40 HKAB NC(=O)c1ccsc1NC(=O)c1oc2ccccc2c1CSC1CCCCC1 2661043 PJILGUOPXBWPIL-UHFFFAOYSA-N 414.552 5.411 0 40 HKAB O=C(NC1CCCCC1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 2950968 LVUJZZWIVZDLOR-UHFFFAOYSA-N 419.575 6.149 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@H](Sc2ncnc3ccccc23)c2ccccc2)c1 3295453 ABVSNZGOMLDHEJ-JOCHJYFZSA-N 413.502 5.305 0 40 HKAB O=C(OCCOc1ccc(Br)cc1)c1ccccc1Nc1ccccc1 3361742 GSEOGEQMDUYUDS-UHFFFAOYSA-N 412.283 5.429 0 40 HKAB Fc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)cc1 4910892 HIXVOXICZGNZHJ-MFXVKMIXSA-N 412.508 6.423 0 40 HKAB Cc1ccc(Cn2c([C@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)nc3ccccc32)cc1 5235919 HPMUMCBIQCXJDL-QFIPXVFZSA-N 409.533 5.530 0 40 HKAB Cc1cc2nnc(S[C@H](C(=O)N3CCCCC3)c3ccccc3)n2c2ccccc12 5278240 XXNORRGSTCNUMS-QFIPXVFZSA-N 416.550 5.037 0 40 HKAB CN(Cc1cccs1)C(=O)CSc1nc(-c2cccs2)nc2ccccc12 5288168 YZGJWNCKVPZSPW-UHFFFAOYSA-N 411.577 5.171 0 40 HKAB CCC1=C[C@@H]([C@H](O)CC(C)C)[C@@](C)(Cc2ccc(CC)cn2)N[C@H]1c1ccccc1 5389725 JPFMXPYYRABPJC-FICKONGGSA-N 406.614 5.649 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 6221170 RSQAFQUTSKITSZ-UHFFFAOYSA-N 416.304 6.582 0 40 HKAB CCCN(CCC)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OCC)cc1 6323824 DQMZRDFXMOOCSU-UHFFFAOYSA-N 414.553 6.113 0 40 HKAB Cc1cc(C)c2[nH]c(-c3ccccc3)c(/C=C(\Sc3nnc(C)[nH]3)C(=O)O)c2c1 6456543 HAGLUBSFIGBBGV-WQRHYEAKSA-N 404.495 5.096 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cc(Cl)c2c(c1)OCCCO2 6881166 WINJPQMTTNSTMG-UHFFFAOYSA-N 411.281 5.056 0 40 HKAB CSc1cccc2sc(N(Cc3ccco3)C(=O)COc3ccccc3)nc12 7599705 MRIUWEUAYLGOEH-UHFFFAOYSA-N 410.520 5.223 0 40 HKAB O=C(OCc1nnc(-c2ccccc2)o1)/C(=C/c1ccc(F)cc1)c1cccs1 7705564 SCWVGDIVIVCGBW-QGOAFFKASA-N 406.438 5.221 0 40 HKAB Cc1cccc(NC(=O)Cc2nc(-c3cc(C)n(Cc4ccco4)c3C)cs2)c1 7845573 RDIXMLLNNUGJJO-UHFFFAOYSA-N 405.523 5.359 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1Oc1ccccc1 7922155 KMXDMSPXUFPSFP-QGZVFWFLSA-N 417.534 5.720 0 40 HKAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O 7929346 LSCUXSNVEMFRTL-QHCPKHFHSA-N 413.517 5.437 0 40 HKAB Cc1ccc(Cn2ncc3c(C(=O)N4CC=C(c5ccccc5)CC4)cc(C)nc32)cc1 8709592 RQNOZRBRVXUALL-UHFFFAOYSA-N 422.532 5.026 0 40 HKAB Cc1cccc(N(C(=O)COc2ccccc2F)c2nc3ccccc3s2)c1C 8718668 JNLXMOILRQTRNC-UHFFFAOYSA-N 406.482 5.796 0 40 HKAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)cc1 9063182 NYBWNLBEQQAYNH-UHFFFAOYSA-N 410.867 5.518 0 40 HKAB Oc1ccccc1C1=Nc2nc3ccccc3n2[C@@H](c2ccc(Br)cc2)C1 9086051 LKBYTZXHAWQGIH-HXUWFJFHSA-N 418.294 5.618 0 40 HKAB Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)c2ccc(F)cc2)n1 9250089 BCJYXBLWYQSWLG-UHFFFAOYSA-N 408.498 5.373 0 40 HKAB COc1cc(C)ccc1OCc1nnc(SCc2ccc(Cl)cc2Cl)n1C 9306144 YQZXFAXNYAWFNM-UHFFFAOYSA-N 424.353 5.310 0 40 HKAB Cc1ccc(C(=O)COc2ccc(Cl)cc2N2C(=O)c3ccccc3C2=O)cc1C 9425966 BEFYXRBNKPMIFN-UHFFFAOYSA-N 419.864 5.019 0 40 HKAB CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 10040286 NKWBUZDCJWPGQV-UHFFFAOYSA-N 420.852 5.692 0 40 HKAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)N(C1CC1)C(c1ccccc1F)=N2 12699623 KIHHBTIBLJYQEZ-VWLOTQADSA-N 422.507 5.966 0 40 HKAB O=c1c2c(-c3ccccc3)csc2ncn1Cc1ncc(-c2cccc(Cl)c2)o1 13003696 ZPNROMITAOUJLB-UHFFFAOYSA-N 419.893 5.482 0 40 HKAB CC(C)c1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 13041422 FYJYNHWDPBAEEU-UHFFFAOYSA-N 411.367 5.648 0 40 HKAB Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H]3CCCc4ccccc43)s2)c1 13138513 BYPGCWSTNHDOBX-DNVCBOLYSA-N 424.595 5.265 0 40 HKAB CCOc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)[C@@H](C)[C@H]2CC)cc1 13510960 OQZNSCZZVINNGJ-YQIFXUADSA-N 414.549 6.314 0 40 HKAB COc1ccc2c(-c3ccccc3)c(C(=O)Nc3ccccc3-c3ccccc3)oc2c1 14077559 XNORROFCUZYERR-UHFFFAOYSA-N 419.480 7.028 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 17094129 SSRIPCNKRJNJCG-UHFFFAOYSA-N 424.863 5.009 0 40 HKAB COc1ccc(OC)c(C(=O)N2CCC[C@@H]2c2cc(-c3ccccc3)cc(C)n2)c1 19690774 KYXBKXBECVCJCG-HSZRJFAPSA-N 402.494 5.052 0 40 HKAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 20139895 CFGIOYDDVPOTOT-UHFFFAOYSA-N 423.852 5.613 0 40 HKAB Cc1cc(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc(C(=O)O)c1O 20140103 BNAONIGTKUZMIC-UHFFFAOYSA-N 406.221 5.218 0 40 HKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(Cl)c(Cl)c3)sc2c1 20411405 FFABJTSTTGIVQJ-UHFFFAOYSA-N 423.321 5.812 0 40 HKAB C[C@H](CNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 21905872 AFSNHCDHBLMUDE-JPYJTQIMSA-N 420.940 5.121 0 40 HKAB CCOC(=O)Nc1c(-c2ccc(F)cc2)nc2c(Cl)cc(C(F)(F)F)cn12 27023985 PISHXBQFVTURKX-UHFFFAOYSA-N 401.747 5.381 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 27680354 MFERFNBYAXHQSW-CYBMUJFWSA-N 424.863 5.119 0 40 HKAB CCc1ccc2oc(C(=O)N(Cc3ccc(OC)cc3)c3ccccn3)c(C)c2c1 28403105 XLEUJXFZEKDSRI-UHFFFAOYSA-N 400.478 5.554 0 40 HKAB CC[C@H](C)c1ccc(Nc2nc3ccccc3nc2Nc2ccc([C@@H](C)CC)cc2)cc1 32647073 TZNNNOALACDCHW-PMACEKPBSA-N 424.592 8.144 0 40 HKAB Cc1c(C(=O)Nc2ccccc2CN(C)C2CCCCC2)cnn1-c1ccccc1F 32903627 HPBSPUOTKQEICN-UHFFFAOYSA-N 420.532 5.337 0 40 HKAB Cc1ccc(S(=O)(=O)Cc2csc(Nc3ccc(Cl)cc3Cl)n2)cc1 35623054 QSDMZYCKUQPNMJ-UHFFFAOYSA-N 413.351 5.476 0 40 HKAB COc1ccc(-c2nn3c(Nc4ccc(Br)cc4)cc(C)nc3c2C)cc1 40216839 RWNFKAKAJXSYMZ-UHFFFAOYSA-N 423.314 5.528 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 44880818 FXPGNKPICYPCRR-QHCPKHFHSA-N 422.956 5.308 0 40 HKAB Cc1oc(C)c(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1Cl 48325288 HJYJYITYTVVKBM-UHFFFAOYSA-N 400.809 5.944 0 40 HKAB CC(C)(C)OC(=O)NCCCC(=O)Nc1ccccc1Oc1ccccc1Cl 48375424 DLZQYDCMGCAPID-UHFFFAOYSA-N 404.894 5.376 0 40 HKAB COc1cc(/C=C/C(=O)OC(C)C)cc(Br)c1OCc1cccc(C)c1 62715485 WSFUWXZSCSGSEO-CMDGGOBGSA-N 419.315 5.310 0 40 HKAB O=c1c2sccc2nc(SCc2ccccn2)n1CCc1ccc(Cl)cc1 71327668 HMVTUZDIRCYAKE-UHFFFAOYSA-N 413.955 5.041 0 40 HKAB CCN(C(=O)NCc1ccc(OC)c(OC)c1)[C@H](c1ccccc1)c1ccc(F)cc1 72285574 PBHVWKJTTBXZRB-XMMPIXPASA-N 422.500 5.164 0 40 HKAB CC[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1c(C)noc1C 89947785 PJQWJFODAOLONK-JOCHJYFZSA-N 414.509 5.084 0 40 HKAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H](C)c3ccccc3)CC2)n1 100738832 HUTFNZIQEOLAHD-GREBRCKQSA-N 414.553 5.041 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccccc5)nc4c3)o2)cc1C 107795398 QRLPHGLTNKESNG-UHFFFAOYSA-N 408.461 5.550 0 40 HKAB CC(C)c1ccccc1OCCNC(=O)c1cc(Cl)ccc1OCc1ccccc1 223798103 YOGLLAOESRXDDS-UHFFFAOYSA-N 423.940 5.851 0 40 HKAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccc2ccccc2c1 224320339 WKWTUCGVGYPXIH-UHFFFAOYSA-N 415.464 5.497 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1cc(C)cc(C)c1C 224609057 FSRMMILEQDAAGV-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(OCc2ccccc2Cl)c1 224970275 RHHSDBTYEZBHSF-UHFFFAOYSA-N 420.940 6.162 0 40 HKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CCc1ccccc1 225037418 UYBZXNUJKJZPEQ-RUZDIDTESA-N 420.597 5.184 0 40 HKAB O=C(N1CCS[C@@H](c2cc(F)ccc2F)CC1)C1(c2cccs2)CCCC1 225743363 IXANCHHGJJTXLL-GOSISDBHSA-N 407.551 5.545 0 40 HKAB CC(C)COc1ccc(CC(=O)O)cc1-c1cc(-c2cccc(F)c2)n(CC(C)C)n1 257258825 KVSAQNVYGZWYLK-UHFFFAOYSA-N 424.516 5.674 0 40 HKAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Oc2ccccc2-c2ccccc2)CC1=O 408649770 AGPFVIGMGBVUDN-SFHVURJKSA-N 405.881 5.274 0 40 HKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(C)c2C)cc1 408678713 UUCFOUSYHKJQIG-UHFFFAOYSA-N 412.489 5.443 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccnc2)oc(-c2ccccc2)c1-c1ccccc1 409116744 LOWPKMKTYKJRRQ-UHFFFAOYSA-N 412.445 5.438 0 40 HKAB Cc1ccc(COc2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)cc2)cc1 409135909 RBPOHBKJJUHXPX-HZHRSRAPSA-N 421.562 6.191 0 40 HKAB CCCCOc1ccc2ccccc2c1/C=C1\NC(=O)N(Cc2ccccc2)C1=O 409197036 ULHDPDCKXMATCC-JWGURIENSA-N 400.478 5.112 0 40 HKAB CCc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)C(CC)CC)cc3)cn2)cc1 1775966791 ZIYICZCMBZALAS-UHFFFAOYSA-N 418.541 5.121 0 40 HKAB CCOc1ccc(N[C@H](NC(=O)Nc2ccccc2)C(Cl)(Cl)Cl)cc1 1233920 RSRQHYZHKSXEPJ-OAHLLOKOSA-N 402.709 5.015 0 40 HKAB CC(C)c1ccc(N(C(=O)CCc2ccccc2)c2nc3ccccc3s2)cc1 3236206 HXXCFATZSWQMHN-UHFFFAOYSA-N 400.547 6.717 0 40 HKAB COc1ccc(C(=O)OCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 3288745 SUJINWIORYXVGP-UHFFFAOYSA-N 402.425 5.044 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cc(-c3cn4cccnc4n3)ccc2C)cc1 4033075 DJZGWFGFJYBMFV-UHFFFAOYSA-N 400.482 5.136 0 40 HKAB CC(C)OC(=O)c1c(NC(=O)c2c(Cl)cccc2Cl)sc2c1CCCC2 4144092 PVFXDZSCKDGUHD-UHFFFAOYSA-N 412.338 5.751 0 40 HKAB CN(C)CCCN(C(=O)c1ccccc1F)c1nc(-c2ccc(Cl)cc2)cs1 4214929 JEDXVUHKIMJYPO-UHFFFAOYSA-N 417.937 5.201 0 40 HKAB O=C1c2ccc(Oc3ccccc3)cc2C(=O)N1c1ccc(Oc2ccccc2)cc1 4416176 NITMCWGMWXEYDF-UHFFFAOYSA-N 407.425 6.072 0 40 HKAB CCN(CC)C(=S)N=P(N1CCCCCC1)(N1CCCCCC1)C(C)(C)C 5446703 IJZUAJOSOVZSMK-UHFFFAOYSA-N 414.644 6.195 0 40 HKAB O=C(NCCc1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1 6111571 FFWUZGLIFBNRCR-UHFFFAOYSA-N 409.464 5.495 0 40 HKAB biogenic O=C(NC(=S)Nc1ccc(CN2CCCC2)cc1)c1ccc(-c2ccccc2)cc1 6548694 KBLRRFQSUHQNAW-UHFFFAOYSA-N 415.562 5.076 0 40 HKAB O=C(c1cc2ccccc2o1)N1CCN=C1SCc1ccc(Cl)c(Cl)c1 7346492 GGKLFDIESHSOJC-UHFFFAOYSA-N 405.306 5.485 0 40 HKAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)NC1CCCCC1 8049478 MWFRQHMVHFGDFR-UHFFFAOYSA-N 408.542 5.064 0 40 HKAB Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@@H]2NC(=O)c3ccccc3N2)cc1C 8160011 DWUYWJHPNSAJDP-VWLOTQADSA-N 408.505 5.069 0 40 HKAB Cc1nc(-c2cccc(NC(=O)c3c(C)nn(Cc4ccccc4)c3C)c2)cs1 8278576 RIWMWAMDOXNPSL-UHFFFAOYSA-N 402.523 5.232 0 40 HKAB Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2ccccn2)c2ccccc2F)c1C 8763399 GCKAJAMSOVLXAJ-NRFANRHFSA-N 421.497 5.946 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)[nH]2)cc1 9199441 SYJIZSMAEBXIJC-UHFFFAOYSA-N 400.935 5.153 0 40 HKAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2Cl)c1C 9358406 BBARGCXRVHRHRU-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 12292613 NNWGQDZMCBSVKM-QGZVFWFLSA-N 402.519 5.986 0 40 HKAB COc1ccc(NC(=O)c2ccc(N[C@@H](C)C(=O)Nc3cccc(Cl)c3)cc2)cc1 12554251 NYKOUMODJAJEHJ-HNNXBMFYSA-N 423.900 5.040 0 40 HKAB Cc1nc(CSc2ccccc2C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)no1 12876901 VEOPJPJAJXYQDH-HBDGIVRWSA-N 411.571 5.005 0 40 HKAB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccccc3)cc2)no1 12987573 NUPODVCVDFEEDC-UHFFFAOYSA-N 417.490 5.715 0 40 HKAB O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@H]1CN3C[C@@H]1CCC[C@H]21)c1ccc(Cl)cc1 13614978 XEGWPHFMPASJSA-IDPBPBMLSA-N 406.957 6.193 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(OC(C)C)cc1 16282636 BFVPYMCQQGIXHE-UHFFFAOYSA-N 402.519 6.311 0 40 HKAB O[C@H](CNCc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1 16477498 YCKROQJYKXEYIS-JOCHJYFZSA-N 402.321 5.396 0 40 HKAB O=C(CSc1cc(-c2cccs2)c2c(n1)CCCC2)N1CCCc2ccccc21 19074886 BWWNKJNZCREQQV-UHFFFAOYSA-N 420.603 5.760 0 40 HKAB O=C(N[C@H](C[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1)C1CCC1 19400912 RJASJPPNRNWZKT-JTHBVZDNSA-N 411.977 5.137 0 40 HKAB CCn1ncc(CN2CCCCC[C@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)c1C 19523959 HSIFCSJTMGZOSV-NRFANRHFSA-N 424.545 5.001 0 40 HKAB CC(C)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1nnc2ccccn12 20722039 PMVKGAUUCNPBRZ-DEOSSOPVSA-N 421.504 5.072 0 40 HKAB CC(C)Oc1ccc(CNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 22509296 DXCSQUYZOVOCRU-UHFFFAOYSA-N 414.549 5.357 0 40 HKAB O=C(NC[C@H](c1ccccc1Cl)N1CCCCC1)C12CC3CC(CC(C3)C1)C2 27664514 FSCXFLREYLAUHU-SOSWSAFESA-N 400.994 5.200 0 40 HKAB CC(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(=O)c3ccccc3o2)cc1 27989553 UYZVGBITMDTMMZ-UHFFFAOYSA-N 401.462 5.352 0 40 HKAB COc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2/C=C\c2ccc(Cl)cc2)cc1 31771950 RFALBESTBSCGMQ-VEKXRIONSA-N 414.892 5.848 0 40 HKAB O=C(Oc1ccc(C2SCCS2)cc1)c1ccccc1C(=O)c1ccccc1 32902618 HNKBXENVXJWFOU-UHFFFAOYSA-N 406.528 5.615 0 40 HKAB Cc1ccc(NC(=O)COc2cccc(-c3noc(/C=C/c4ccccc4)n3)c2)cc1 33327500 POMJBEAPFYCNPN-NTCAYCPXSA-N 411.461 5.233 0 40 HKAB O[C@@H](c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1ccco1 35178124 QVVJWTUOKPPMEO-SANMLTNESA-N 406.485 5.398 0 40 HKAB Nc1c(-c2nc(-c3cccc(Cl)c3)cs2)nnn1-c1cccc(C(F)(F)F)c1 38486707 LAPACLYDSPILMB-UHFFFAOYSA-N 421.835 5.312 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 38726432 QIHXSWPLWOYYST-WIQRBZPFSA-N 402.663 6.648 0 40 HKAB biogenic Cc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2-c2ccc(C)cc2)cc1 44086529 IUAPMLDDPSIZTK-UHFFFAOYSA-N 418.522 5.183 0 40 HKAB O=C(Nc1nnc(SCc2ccc(Cl)cc2Cl)s1)c1ccsc1 61997211 XYGJYAIXQOPLBU-UHFFFAOYSA-N 402.353 5.451 0 40 HKAB COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(C)cn2)cc1 67295192 JWINRHNHSVVSJW-RWEWTDSWSA-N 419.868 5.283 0 40 HKAB Cc1cc(Cc2c(F)cccc2F)cc(C2CCN(C(=O)[C@H]3CC34CCC4)CC2)n1 72374084 OYFQSJUGHRBMSG-HXUWFJFHSA-N 410.508 5.155 0 40 HKAB C[C@@H](C(=O)N1CCC[C@H](c2[nH]c3ccccc3c2-c2ccncc2)C1)c1ccccc1 72396377 GIHZZZBIKKNKLD-KNQAVFIVSA-N 409.533 5.740 0 40 HKAB O=C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)Nc1cccc(C(F)(F)F)c1 105017545 XCNSPQUJCDXPGC-AGCBMJJTSA-N 416.281 5.768 0 40 HKAB CC(C)Oc1ccccc1/C=C1\SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 106715647 GTPPMLNBJIBROW-ZDLGFXPLSA-N 422.333 6.017 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118912622 LZHRRGGNNXYJOT-KUXRSNICSA-N 402.663 6.360 0 40 HKAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OC 222661281 PLWZYKJNRRUCJQ-NIKGAXFTSA-N 417.962 5.122 0 40 HKAB Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)c(C)c1 222778289 CTLBLOYRRNRTEB-CUNXSJBXSA-N 415.577 6.408 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc(CC)cc2)sc2c1CCCC2 222884249 TUUBCTMEMHENSD-SFHVURJKSA-N 415.555 5.162 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2ccc(OC)cc2)c1 224271289 KYESEQNJZNFDRI-UHFFFAOYSA-N 419.521 5.660 0 40 HKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 224331793 KFUMNLZHOPDJFZ-FGZHOGPDSA-N 404.583 5.378 0 40 HKAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C 224364435 LRALFZMDOAFQJQ-BJKOFHAPSA-N 418.610 5.820 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccccc1C 224375403 OXEBKJTYOPPIMB-UHFFFAOYSA-N 407.535 5.947 0 40 HKAB O=C(Nc1ccc(F)cc1F)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224961021 LZXJDANDBLXXMD-UHFFFAOYSA-N 410.807 6.193 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)N[C@H]3C[C@@H]4CC[C@@H]3C4)c2)cc1 225323529 JWIJSPRKRMSMHN-CDMIOBSGSA-N 406.595 5.690 0 40 HKAB CCOC(=O)c1cc(NC(=S)NC(c2ccccc2)c2ccccc2)ccc1Cl 225519755 IBBMBYLUZZBFHY-UHFFFAOYSA-N 424.953 5.593 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCCC2)ccc1OCC(C)C 225755734 UXFAYCTYMHQMEO-UHFFFAOYSA-N 423.553 5.739 0 40 HKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CCC4=C(CC[C@@]4(C)[C@@H](C)OC(C)=O)[C@H]3CC[C@]2(C)C1 253617485 PFGGRDCYFHNFSS-RPZCSDAGSA-N 416.602 5.983 0 40 HKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CC=CCC3)CC2)n1 257250208 JLNMDEBXKTUQNP-CEMLEFRQSA-N 418.585 5.408 0 40 HKAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)C1c2ccccc2Oc2ccccc21 390829869 HEDIDADTHLVSIU-SFHVURJKSA-N 417.486 5.096 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(F)cc2)cc1-c1cccc2ccccc12 408724420 KABCUEUSMNIIPB-UHFFFAOYSA-N 421.475 6.392 0 40 HKAB COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccc(F)cc1 409100519 UCDJDLVMFYBFQF-XKZIYDEJSA-N 407.466 5.499 0 40 HKAB O=C1S/C(=C\c2ccccc2OCCOc2ccccc2)C(=O)N1c1ccccc1 409361439 RWGVYPAVLHFOQH-XLNRJJMWSA-N 417.486 5.385 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccccc1OCc1ccccc1 409379032 ULMIBTGEEFMYKO-NRFANRHFSA-N 406.507 5.033 0 40 HKAB COC(=O)[C@@H](C)c1ccc([C@@H](O)CC(C)(C)C)c(-c2ccc(C(F)(F)F)cc2)c1 575362708 OIMSINFCTJBCIN-XOBRGWDASA-N 408.460 6.119 0 40 HKAB O=C(c1ccccc1)n1nc(Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1 575443569 VJHQTSMWVDBVBY-UHFFFAOYSA-N 423.303 6.366 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)NCC1(c2ccsc2)CCOCC1 952989986 RBXORMHPSDFFRX-UHFFFAOYSA-N 405.563 5.135 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 668895 APIUWPCLLDVLLV-UHFFFAOYSA-N 405.885 6.093 0 40 HKAB O=C(Nc1ccccc1F)c1cc(-c2ccccc2)nc2ccc(Br)cc12 685805 GELKCKQFRJRVMP-UHFFFAOYSA-N 421.269 6.056 0 40 HKAB Clc1ccc(COc2cccc(-c3ccnc(-c4ccncc4)n3)c2)c(Cl)c1 1389986 DJRCDLJWYJXFCA-UHFFFAOYSA-N 408.288 6.091 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(OC(=O)c3ccc(Br)cc3)c2)cc1 1433917 LBZHSKMGGBCDLO-UHFFFAOYSA-N 410.267 5.229 0 40 HKAB CN(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1 1688789 ARFKDMUECABLBM-UHFFFAOYSA-N 401.573 7.140 0 40 HKAB COc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc(C)cc3C)c2)cc1 2146585 QOGFQGUVVAJCAA-ZZIIXHQDSA-N 413.517 6.583 0 40 HKAB biogenic O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc(Cl)cc1Cl 2210489 RPGTWJJBUBPZQN-UHFFFAOYSA-N 403.743 5.987 0 40 HKAB Cn1c(NC(=O)c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 2440707 WGTRGLBAJHQRKC-UHFFFAOYSA-N 423.299 5.765 0 40 HKAB O=c1c2c(nc(SCc3ccc(Cl)c(Cl)c3)n1-c1ccccc1)CCS2 2719729 KPACHQNRHWWIOV-UHFFFAOYSA-N 421.374 5.480 0 40 HKAB COc1ccc(-c2nc(NC(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)sc2C)cc1 3395078 UIPDDHCFCFRUDF-LJQANCHMSA-N 414.958 6.159 0 40 HKAB S=c1oc(-c2sc3ccccc3c2Cl)nn1CN1CCc2ccccc2C1 3453685 IIWCUQYIIHFGIP-UHFFFAOYSA-N 413.955 5.756 0 40 HKAB CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 3765489 XXIZMDHZIPNLEO-JOCHJYFZSA-N 410.304 5.921 0 40 HKAB COC(=O)c1sc2ccccc2c1NC(=O)c1sc2ccccc2c1Cl 4134659 DJGUVQGAUKDSTM-UHFFFAOYSA-N 401.896 5.808 0 40 HKAB CCOc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccc(F)cc1 4413531 BFGNWBSVCRLNJP-UHFFFAOYSA-N 400.881 5.142 0 40 HKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc2c3c(cccc13)CC2 4699572 RKCWQMOANKIADY-XYOKQWHBSA-N 408.295 5.361 0 40 HKAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)c(C)c1 4703916 WJKYRMYCHRWWTK-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB CCOc1ccc2ncc3c(-c4cccc(OC)c4)nn(-c4ccc(C)cc4)c3c2c1 4970279 SBUIASSHZLBSAS-UHFFFAOYSA-N 409.489 5.956 0 40 HKAB Cc1c(-c2cc(=O)oc3ccc(C(C)(C)C)cc23)oc2ccc(Br)cc12 5150542 KYORAOSWJHCJSW-UHFFFAOYSA-N 411.295 6.575 0 40 HKAB COc1cc(C(=O)OCc2ncc(-c3ccccc3)o2)cc(Cl)c1OC(C)C 5489544 HMCSAMIPIISHEX-UHFFFAOYSA-N 401.846 5.148 0 40 HKAB Cc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1Nc1c(C)cccc1C 5602023 XHLSWCIKRJDQDJ-UHFFFAOYSA-N 418.522 5.099 0 40 HKAB Cc1c(C(=O)N(c2ccccn2)C2CCCCC2)oc2ccc(Br)cc12 5694505 FQENAXMKXMDLHU-UHFFFAOYSA-N 413.315 5.878 0 40 HKAB Cc1ccc2c(c1)-c1nc(SCc3ccc(Cl)cc3Cl)ncc1CS2 5747435 QIZNSPOITGLGNP-UHFFFAOYSA-N 405.375 6.657 0 40 HKAB COc1ccc(C(=O)NCCSc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1 6646446 XLCRFRMTHKQYMZ-UHFFFAOYSA-N 420.509 5.505 0 40 HKAB O=C(NCCc1c[nH]c2ccccc12)c1ccccc1SCc1ccccc1F 7719274 QMCNHIYLCYDSIY-UHFFFAOYSA-N 404.510 5.572 0 40 HKAB Cc1ccc(CN(C)C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c(C)c1 7752406 AWPWWZXYSZTOCX-UHFFFAOYSA-N 423.582 5.402 0 40 HKAB Cc1ccc(NC(=O)[C@@H](NCc2ccccc2CN2CCCC2)c2ccccc2)cc1 8229974 JELGPSIVWFIRKM-SANMLTNESA-N 413.565 5.060 0 40 HKAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3[C@@H](C)c3ccccc3)CC2=O)cc1 8657319 UHJWVDHATRJQCI-ICSRJNTNSA-N 411.505 5.175 0 40 HKAB Cc1cc2oc(=O)c(CC(=O)Nc3cccnc3)c(C)c2c2occ(C(C)(C)C)c12 9060622 LWLNQQHTDIFYKG-UHFFFAOYSA-N 404.466 5.030 0 40 HKAB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1cc(Cl)ccc1Cl 9198099 UGGZTPOFKZRICN-UHFFFAOYSA-N 413.717 5.163 0 40 HKAB CCCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(OC)cc2)n(C)c2ccccc12 9355616 XPMRZTASQGSYFG-HHHXNRCGSA-N 424.544 6.199 0 40 HKAB Clc1ccc2nc(N3CCN(c4nc5ccc(Cl)cc5s4)CC3)sc2c1 9381984 PKWKTHNYYGIAPJ-UHFFFAOYSA-N 421.378 5.539 0 40 HKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)C1CCCCC1 9518330 UZMQWYCOOXBSPE-UHFFFAOYSA-N 406.482 5.603 0 40 HKAB CC(C)(C)c1ccc(CCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 10372354 HKHJGLGUFWROSN-UHFFFAOYSA-N 418.503 5.284 0 40 HKAB O=C(COCc1nc2ccccc2s1)N1CCCC[C@@H]1c1nc2ccccc2s1 12697635 LVJJJDFVIKSVGC-QGZVFWFLSA-N 423.563 5.176 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 12758164 NWJZJHDDJVTZBA-JTHBVZDNSA-N 408.423 6.256 0 40 HKAB Fc1ccc(OCc2nc(CSC3=Nc4ccccc4CS3)cs2)cc1 12765160 CTOQOKWAWLUXFB-UHFFFAOYSA-N 402.541 6.029 0 40 HKAB Cc1cc(N2CCCC2)ccc1NC(=O)c1sc2nc(C3CC3)nc(C)c2c1C 12769870 VDBYHUZNBDYYPS-UHFFFAOYSA-N 406.555 5.346 0 40 HKAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C2CC2)nc2onc(C)c12 12773644 MIPVAKQAJZUKDV-UHFFFAOYSA-N 419.403 5.469 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=O)N2c3ccccc3Sc3ccccc32)c1 13717237 ZDMCVOLLBBQBOC-UHFFFAOYSA-N 410.882 5.961 0 40 HKAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(Cl)c2)o1 13748550 PGEKREJAFLETQP-WFASDCNBSA-N 411.955 5.627 0 40 HKAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1c(Cc3cccc4ccccc34)nnc21 13758999 RBLWUNBJDHPURU-UHFFFAOYSA-N 424.895 5.169 0 40 HKAB COc1cccc(-c2cc(-c3cccc(OC)c3)n(-c3ccc(C)c(Cl)c3)n2)c1 13960747 SYPFUJGXFLICKU-UHFFFAOYSA-N 404.897 6.185 0 40 HKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1sc2ccccc2c1Cl 17092538 BPHAAZLVWOETHL-UHFFFAOYSA-N 420.946 7.084 0 40 HKAB CCOC(=O)c1ccc(Cn2cnc3scc(-c4ccc(C(C)C)cc4)c3c2=O)o1 19649907 IZKQFIXURWFOPR-UHFFFAOYSA-N 422.506 5.066 0 40 HKAB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)N(c1ccccc1)c1ccccc1 19928198 SLVWSPHVKGQLDS-UHFFFAOYSA-N 420.925 5.582 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(OCCSc2ccccc2)cc1 20485483 DVYSQTRAKZPPEU-UHFFFAOYSA-N 417.452 6.129 0 40 HKAB O=c1ccc(C(F)(F)F)cn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 25376691 QKAJRFMSJCAIKO-UHFFFAOYSA-N 404.335 5.058 0 40 HKAB O=C1CS[C@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N1Cc1cccnc1 27061486 PBXHBYOAPGCINZ-LJQANCHMSA-N 405.306 5.423 0 40 HKAB CCc1ccc(OCC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N(CC)CC)cc1 28290565 BUFXSSHAJDAMGC-XMMPIXPASA-N 410.602 5.125 0 40 HKAB COc1cccc(-c2noc(CCC(=O)Nc3cc(Cl)c4oc(C)cc4c3)n2)c1 35322681 MSOAHIYLGHFWAA-UHFFFAOYSA-N 411.845 5.025 0 40 HKAB CCCN1C(=O)c2cccc3c(S(=O)(=O)Oc4ccc5ccccc5c4)ccc1c23 41125247 UBIPSRPHGUIZMJ-UHFFFAOYSA-N 417.486 5.131 0 40 HKAB CC1CCN(C(=O)Cc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)CC1 41127672 VZKNJDVEZOOOQG-UHFFFAOYSA-N 403.309 5.603 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 44900055 IYJRJEDDLIAPHD-RRPNLBNLSA-N 409.529 6.211 0 40 HKAB COc1c(CC=C(C)C)c(O)cc2c1[C@H]1Oc3cc(O)c(CC=C(C)C)cc3[C@@H]1CO2 59729454 WIEKYGJSRGBBTQ-SIBVEZHUSA-N 422.521 5.734 0 40 HKAB biogenic,in-vitro CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@]12C 59771135 YEYCQJVCAMFWCO-SFDGBPCISA-N 414.674 7.569 0 40 HKAB O=C(Nc1ccccc1Br)c1ccccc1-c1ncc(-c2ccccc2)o1 61429481 KWVKNWFNORNONH-UHFFFAOYSA-N 419.278 6.023 0 40 HKAB CC(C)OCCCn1c(SCc2ccccc2Cl)nc2ccccc2c1=O 67259126 CIIHXAPIRKXOMP-UHFFFAOYSA-N 402.947 5.157 0 40 HKAB COc1ccc(O[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2)cc1 80344433 LEVFDZMEZDWMDI-HXUWFJFHSA-N 402.277 5.761 0 40 HKAB Cc1nc2cc(F)cc(C(=O)Oc3ccc(C4SCCS4)cc3)c2nc1C 84057294 ZUOYAXHGOOENQA-UHFFFAOYSA-N 400.500 5.084 0 40 HKAB O=C(Nc1c(F)cc(F)cc1-c1ccccc1)[C@H]1CC(c2ccc(Cl)s2)=NO1 84560022 RPNKJAKHZVQIOF-MRXNPFEDSA-N 418.852 5.478 0 40 HKAB O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 95992966 DCLIFWJAXIUTGS-LZLYRXPVSA-N 409.917 5.130 0 40 HKAB COc1ccc(-n2cc(-c3nc(-c4cccc(C)c4)no3)c3ccccc3c2=O)cc1 96324251 CRQBKCCNACVMAD-UHFFFAOYSA-N 409.445 5.025 0 40 HKAB COc1cccc(-n2cc(-c3nc(-c4ccccc4C)no3)c3ccccc3c2=O)c1 96324267 QKSRNCAXUQLZSM-UHFFFAOYSA-N 409.445 5.025 0 40 HKAB O=C1S/C(=C/c2ccc3c(c2)CCCO3)C(=O)N1Cc1ccc(Cl)c(Cl)c1 98086329 VNGOJLLHHZBLJD-VCHYOVAHSA-N 420.317 5.555 0 40 HKAB Clc1ccc(C2=C[C@H](c3ccc(OCc4ccccc4)cc3)n3ncnc3N2)cc1 101112783 LTJXNVQHSSQILX-HSZRJFAPSA-N 414.896 5.567 0 40 HKAB COc1ccc(-c2csc(C3=C(O)CN([C@H]4CCCc5ccccc54)C3=N)n2)cc1 102720495 JWKYZGHVUVLWBH-FQEVSTJZSA-N 417.534 5.458 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4N5CCCN=C5CC[C@]4(C)[C@@H]3CC[C@]12C 104153726 GADHUERTDPPUEB-RJVGOVSJSA-N 424.717 7.699 0 40 HKAB CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118934493 HEBSTICEHROLMY-LTSJFWKASA-N 416.602 5.373 0 40 HKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 216428100 HVNKFHFOBGVXMG-NRFANRHFSA-N 414.933 5.152 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)NCCOc1ccc2ccccc2c1 223638686 NFIIJIAYGGDPCK-UHFFFAOYSA-N 420.361 5.575 0 40 HKAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccc(Cl)cc1 224163732 UOWABQBYJROMDM-UHFFFAOYSA-N 424.884 5.138 0 40 HKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224174801 GYYDGUYDAUDQOA-BJKOFHAPSA-N 410.546 5.358 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)NCCSCc1ccccc1Cl 225080983 IIKSAKQUUOPCJO-UHFFFAOYSA-N 418.386 5.415 0 40 HKAB COc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c(OC)c1 225767473 YYGBRHLISOFHHT-QHCPKHFHSA-N 406.551 5.397 0 40 HKAB CCC(=O)N[C@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(Br)cc2)C1 257232319 GKJGAFLSAZWSIH-DYXWJJEUSA-N 420.322 5.466 0 40 HKAB CC(C)(C)c1nn(-c2ccccc2)c2nc(Cl)c(CNCc3cccs3)cc12 257270494 MULWUMRVIZQMGC-UHFFFAOYSA-N 410.974 5.723 0 40 HKAB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccc(C)cc1 408560416 CPHKSUYQEGDYCB-XDOYNYLZSA-N 415.356 5.357 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccccc2)cc1C 408699570 UVYDIQIRYCGVMR-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COc1cc(Cl)c(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1OC 408990545 NYDBEXGSHMWOIP-UHFFFAOYSA-N 404.919 5.394 0 40 HKAB Oc1nc(-c2ccc(OCc3cccc(F)c3)cc2)nc2sc3c(c12)CCCCC3 408993934 XORPNIAQLNKJTJ-UHFFFAOYSA-N 420.509 6.051 0 40 HKAB O=C1Nc2ccccc2S/C1=C\c1cn(Cc2ccccc2F)c2ccccc12 409107931 YGPCWDHFGFMSEX-QRVIBDJDSA-N 400.478 5.914 0 40 HKAB CCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(Cc2ccc(Cl)cc2)n1 585265974 WJUJQSHAALINLL-UHFFFAOYSA-N 402.277 5.743 0 40 HKAB COc1ccc([C@H](CC(=O)c2ccc(Br)cc2)Nc2cccc(C)c2)cc1 670428488 PFOXZTKCZUMEHR-QFIPXVFZSA-N 424.338 6.192 0 40 HKAB CCOc1cc(CNc2cccc3ccccc23)ccc1OCC(=O)NC(C)(C)C 679383 AMPPNSPTPZKCAE-UHFFFAOYSA-N 406.526 5.144 0 40 HKAB COC(=O)c1c(NC(=O)COc2ccc(C(C)C)c(C)c2)sc2c1CC[C@@H](C)C2 726286 HFAYACXLNIOWOB-CQSZACIVSA-N 415.555 5.109 0 40 HKAB CCc1ccccc1NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCC3 1239415 RNJFRYRVBUJAEZ-UHFFFAOYSA-N 419.575 5.910 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)sc2c1 1738423 XMAOQLGKPIMFSV-UHFFFAOYSA-N 408.910 5.943 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(F)cc4)c3)nc2c1 1852081 CDHQSBIZBNUMNF-CQSZACIVSA-N 422.887 7.053 0 40 HKAB COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)sc2c1CCCC2 1909656 URBGPJVSTJKHLM-AWEZNQCLSA-N 415.555 5.117 0 40 HKAB Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3C)nc2c1 2029925 VLLJFDDIZYWWGN-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3cccc(F)c3)c3ccc(C)cc32)cc1 2063137 SHQORNKKJCODFH-HHHXNRCGSA-N 401.525 6.578 0 40 HKAB Cc1c(OCC(=O)c2c(C)n(C)c3ccccc23)ccc2c3c(c(=O)oc12)CCCC3 2093739 JEZUDGVTVNUXKQ-UHFFFAOYSA-N 415.489 5.042 0 40 HKAB biogenic CCOc1cc(-c2ccc(O)cc2)c/c(=N\c2cccc(OC)c2)c2c(C)oc(C)c12 2101394 NTIPXCFJTZJCHK-SLEBQGDGSA-N 415.489 6.062 0 40 HKAB biogenic Cc1c(CC(=O)O)c(=O)oc2cc3occ(-c4ccc(-c5ccccc5)cc4)c3cc12 2145650 MKIZGLSXXHMEQU-UHFFFAOYSA-N 410.425 5.809 0 40 HKAB biogenic CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2cccs2)N1c1ccc(Cl)cc1 2189049 XXLLDOLPZPSGMX-FQEVSTJZSA-N 416.333 5.983 0 40 HKAB Clc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2Cl)cc1 2256749 MBUJAULVMFMSNT-UHFFFAOYSA-N 405.288 6.002 0 40 HKAB CCOc1ccccc1C(=O)NC(Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F 2311854 ZEOWBNXFXOFZCQ-UHFFFAOYSA-N 420.353 5.057 0 40 HKAB Cc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2cnccn2)cc1 2340145 PTSNRFREGDZWED-UHFFFAOYSA-N 415.566 5.623 0 40 HKAB COc1ccc(-n2c(N)c(C(=O)Nc3ccc4ccccc4c3)sc2=S)cc1 2408546 WIAMIQXWSJMLRS-UHFFFAOYSA-N 407.520 5.265 0 40 HKAB c1ccc(/N=c2/scc(-c3ccc(Oc4ccccc4)cc3)n2-c2ccccc2)cc1 2684267 OIPIRWQSQVMMNU-BYYHNAKLSA-N 420.537 7.231 0 40 HKAB Cc1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3)nc3ccccc23)cc1C 2736783 NLNNRSTVTZFSNP-UHFFFAOYSA-N 400.909 6.733 0 40 HKAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2739303 DVOGGEQCAROEMA-HZPDHXFCSA-N 423.354 6.067 0 40 HKAB c1ccc(-c2cnc(CSc3nnc(-c4ccccc4)n3-c3ccccc3)o2)cc1 3305061 CSTAGPAEGLPIDF-UHFFFAOYSA-N 410.502 5.882 0 40 HKAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](C5(C)OCCO5)CC[C@]4(C)[C@@H]3CC[C@]12C 3843737 GFXBFUNNPOLAPC-QYGQCHEXSA-N 404.591 5.340 0 40 HKAB Cc1ccccc1-n1nnnc1C1(Nc2ccc(Cl)cc2)CCC(C(C)(C)C)CC1 4065789 XAQVQWHLQZYDSH-UHFFFAOYSA-N 423.992 6.168 0 40 HKAB CC1=C(CC[C@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]12 4074035 KIDQUNOGEXTBNB-RPYJZMMMSA-N 414.630 5.618 0 40 HKAB biogenic On1c(-c2ccccc2)c([C@@H](c2ccc(Cl)cc2)N2CCOCC2)c2ccccc21 4247764 UJCOMVGWPUDIGZ-XMMPIXPASA-N 418.924 5.621 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc4ccccc24)N3)C1 4553431 ZYYWARZMEXHQOL-AOMKIAJQSA-N 404.579 6.871 0 40 HKAB Cc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCCCC3)cc1 4568494 GHEQQAWXJZYDJC-UHFFFAOYSA-N 418.562 5.759 0 40 HKAB CCCCCc1ccc(-c2ccc(-c3noc(-c4ccc(O)c(F)c4)n3)cc2)cc1 4591813 SDYGTGDZKQACTH-UHFFFAOYSA-N 402.469 6.648 0 40 HKAB Cn1c2ccccc2c2ccc(/C=C/[C@@]34NC(=O)CCN3c3ccccc3C4(C)C)cc21 4621061 OYNKVBUPJLYCAH-JPDWALJZSA-N 421.544 5.359 0 40 HKAB O=C(c1ccco1)N1CCCc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc21 5136231 KWVCARIRWIROBP-UHFFFAOYSA-N 404.510 5.028 0 40 HKAB CC(C)(C)c1cc([C@H](c2cccs2)c2c[nH]c3ccccc23)cc(C(C)(C)C)c1O 5976751 MVZDHTNPQBVHAR-DEOSSOPVSA-N 417.618 7.710 0 40 HKAB CCc1ccccc1NC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12 6083627 WWOCKYDIQFNSFF-UHFFFAOYSA-N 419.575 6.274 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nc2ccccc2s1)c1ccccc1 6566045 IHFKRVDHLUPXRU-QFIPXVFZSA-N 400.528 6.494 0 40 HKAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(OCc2ccccc2)cc1 6816216 HXPQRVKJNVMGMW-UHFFFAOYSA-N 406.913 5.772 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1nncn1-c1ccccc1)c1ccccc1 6816445 KXGISXLMHNVJAO-HSZRJFAPSA-N 410.502 5.465 0 40 HKAB Cn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1F 7191799 HIZREKWQURMLBL-UHFFFAOYSA-N 418.497 5.019 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(Cl)c3ncsc23)cc(OCC)c1OCC 7598968 KCKAAZKYZBAIIV-UHFFFAOYSA-N 420.918 5.398 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(OC[C@@H]2CCCO2)cc1 7734900 FGORNGUBUPAVPI-NRFANRHFSA-N 413.477 5.040 0 40 HKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1CSCc1ccccc1 7990407 MNWLROHZSIJBSV-UHFFFAOYSA-N 417.530 6.517 0 40 HKAB COc1ccc(Cl)cc1C(=O)OCc1ccc(-c2cccc(Cl)c2Cl)o1 8160526 DBVRTIURRNHCEI-UHFFFAOYSA-N 411.668 6.272 0 40 HKAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)/C=C/c2ccco2)c2ccccc21 8241697 SIBFNPSPUHHFHF-WCHDUPGTSA-N 400.478 5.212 0 40 HKAB COc1ccccc1C(=O)Nc1sc2ccccc2c(=O)c1-c1cccc(Cl)c1 9328048 CYPJVQIBAIAQIC-UHFFFAOYSA-N 421.905 5.843 0 40 HKAB O=C(Nc1nnc(CSc2ccccc2)o1)c1sc2ccccc2c1Cl 10689824 XWARGCSICRGTPZ-UHFFFAOYSA-N 401.900 5.482 0 40 HKAB COc1cccc(-n2ccnc2SCC(=O)Nc2c(Cl)ccc(C)c2Cl)c1 12602794 YLJPTKHSWLOSFT-UHFFFAOYSA-N 422.337 5.227 0 40 HKAB Cc1cccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccc(C(C)(C)C)cc2)c1 13769421 DYRRULOYLOGSLG-UHFFFAOYSA-N 424.544 5.981 0 40 HKAB COc1cccc([C@@H](N[C@@H](c2ccccc2)c2cccc(OC)c2)c2ccccc2)c1 14001774 MJCIFWVHUKSYLK-NSOVKSMOSA-N 409.529 6.172 0 40 HKAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cc(Br)ccc1Cl 14910431 QBDHORDQLLQAAG-UHFFFAOYSA-N 418.722 5.431 0 40 HKAB O=C(Nc1ccc(F)cc1)N[C@@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 15778725 TVJCIFMFXARVGY-IBGZPJMESA-N 422.847 5.440 0 40 HKAB Clc1ccc(COc2ccc(Cl)cc2CNCCc2ccccc2)c(Cl)c1 16479331 FTXVHYICBGBZJK-UHFFFAOYSA-N 420.767 6.558 0 40 HKAB CC1(C)[C@H](C=C(Br)Br)[C@@H]1C(=O)Oc1cccc2ccccc12 16577169 LCWOCTSWSRGYOZ-CZUORRHYSA-N 424.132 5.649 0 40 HKAB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)C(C)(C)C)ccc3Cl)nc2c1 17090452 DBQZZJDRJHCSIO-UHFFFAOYSA-N 415.946 5.624 0 40 HKAB COc1ccccc1[C@H](C)NCc1c(C)nn(Cc2c(Cl)cccc2Cl)c1C 17314267 UXOQTVJFZFOHQJ-AWEZNQCLSA-N 418.368 5.714 0 40 HKAB Cc1cc(-c2ccsc2)nc(C2CCN(C(=O)c3ccc4ncccc4c3)CC2)n1 19118595 KTPSZQMJRLTJHC-UHFFFAOYSA-N 414.534 5.082 0 40 HKAB Cc1ccc(Cc2cnc(NC(=O)c3ccc(F)cc3Br)s2)cc1 19295844 WKXKKDFKQFVQGF-UHFFFAOYSA-N 405.292 5.196 0 40 HKAB COc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c(OC)c1 20111448 MHSOWZOINUQZFJ-UHFFFAOYSA-N 409.507 5.127 0 40 HKAB Oc1ccc(-c2cc(C(F)(F)F)c3c(-c4ccc5c(c4)OCO5)noc3n2)cc1 20605574 XBHIBERBSIXHOH-UHFFFAOYSA-N 400.312 5.010 0 40 HKAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccc(OCC(C)C)c1 20610956 DNTJMNSKXMVPOB-UHFFFAOYSA-N 400.482 5.016 0 40 HKAB COc1ccc([C@@H]2CCCN2CCC(=O)Nc2c(Cl)cccc2Cl)c(OC)c1 22199740 BLTJNQXEIDIGFW-SFHVURJKSA-N 423.340 5.176 0 40 HKAB COc1cccc(-c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)cs2)c1OC 22990280 VATQYMNRPNOPBY-UHFFFAOYSA-N 408.401 5.098 0 40 HKAB CC(=O)N(c1nc(CSc2nc3ccccc3[nH]2)cs1)c1cccc(C)c1C 24662964 LXFJZTSGDJCHOG-UHFFFAOYSA-N 408.552 5.613 0 40 HKAB O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)Nc1ccc2ccccc2c1 27933283 JHJPPKXWSIXSQM-UHFFFAOYSA-N 402.420 5.144 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)sc2ccccc12 28294823 CCOUFHINAZVWCE-IAQYHMDHSA-N 412.338 5.608 0 40 HKAB CC(=O)Nc1ccc(N[C@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)cc1 32806135 PNLNBXZVBLGJTA-MRXNPFEDSA-N 418.928 5.870 0 40 HKAB FC(F)Oc1ccc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1 33578998 QVKPEGJQGUTDMY-SSZFMOIBSA-N 419.456 6.363 0 40 HKAB Fc1ccc(CN(CCc2nc3ccccc3[nH]2)C(=S)Nc2ccccc2)cc1 35290196 WMUCBPVBABNSQQ-UHFFFAOYSA-N 404.514 5.144 0 40 HKAB Nc1c(-c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1cccc(C(F)(F)F)c1 38486697 HCFGGIAEVMTGOV-UHFFFAOYSA-N 421.835 5.312 0 40 HKAB Cc1nccn1Cc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 38851474 APBDLCWBTHVWFM-UHFFFAOYSA-N 413.546 5.784 0 40 HKAB COc1cc(C(=O)Nc2c(C)cc(C)cc2Cl)ccc1OCc1csc(C)n1 40060240 FRNBLCWBMFYAFB-UHFFFAOYSA-N 416.930 5.562 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)nc1)c1cccc(NC(=O)c2cccs2)c1 40146434 FVXACUQPYXASNH-UHFFFAOYSA-N 415.474 5.440 0 40 HKAB Cc1nn2c(nnc3c(=O)n([C@@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40395992 JDADACFPPUPSLB-QWQRMKEZSA-N 421.932 5.065 0 40 HKAB Cc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2-c2ccc(F)cc2)cc1 44087093 PQVNRPHRFMZXDJ-UHFFFAOYSA-N 424.526 5.174 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](c1ccccc1)c1ccccc1C 44900107 WBFXLSMSJLXXRF-SVBPBHIXSA-N 409.529 6.211 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCOc1cccc2ccccc12 48356686 NRDNFPHUBKHTTE-UHFFFAOYSA-N 413.521 5.070 0 40 HKAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CCCC1 96997824 JAVGTVXPPOSKHU-HZPDHXFCSA-N 407.398 5.755 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Sc2ccc(Cl)cc2)cc1 100394219 LAKVKYNDFCWXOZ-WCAYHLDQSA-N 407.922 5.049 0 40 HKAB CCc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccccc3)CC[C@@H](c3ccccc3)[C@H]2C1=O 102988736 HRJPWCOIITWIBB-PZXVYJQKSA-N 409.529 5.716 0 40 HKAB Cc1cc(C)cc(NC2=C[C@@H](c3ccc(Cl)cc3)N(c3cc(C)cc(C)c3)C2=O)c1 103673176 UHVPUIGXUXCXFE-VWLOTQADSA-N 416.952 6.658 0 40 HKAB CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)ccc1O 104068350 ZNYYVRPARDRSAJ-DEOSSOPVSA-N 420.509 5.603 0 40 HKAB CCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118924775 HVJCKZFYZWPQOO-JZQQPFIGSA-N 414.718 8.433 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)c1 223144684 QBHBFJPYHVKRBW-NZQKXSOJSA-N 421.581 6.229 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2C)cc1 223943576 FDYUQCCDGYTXPK-UHFFFAOYSA-N 416.587 5.049 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccc(C)c(C)c1 224623396 LWMQRTANLZOHOW-UHFFFAOYSA-N 417.505 5.736 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1CSc1ccc(C)cc1 224667631 NSDHZRBLHSBBCI-UHFFFAOYSA-N 419.590 6.864 0 40 HKAB CCCOCc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCC 224707170 LZYNLKCUJSBYEM-UHFFFAOYSA-N 419.521 5.843 0 40 HKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1c(F)cccc1Cl 224851256 KUEIQKZAKACSKP-HNNXBMFYSA-N 421.965 5.175 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCCCC1 225709651 OSADBBCJXWHSHS-UHFFFAOYSA-N 402.579 5.009 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC=C(C5(C)OCCO5)[C@@]4(C)CC[C@H]32)C1 245239521 JYRJWVYVMVQZQS-HIPJIPGDSA-N 400.559 5.180 0 40 HKAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260814510 KAMVYTHOCWZQRY-RDPSFJRHSA-N 404.595 5.111 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(OCCN3CCCC[C@H]3C)cc2)CCC[C@H](C)C1 260814526 KIZABORJMJDYAW-BPYKYCOYSA-N 416.606 5.254 0 40 HKAB Fc1cccc(COc2ccccc2CNc2ccc(Br)c(Cl)c2)c1 408554919 GFJKHSYOGCFJPH-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3C)n2)c(C)c1 408693703 CCZOZAGWNBCDFA-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(Cl)cc2)cc1 408697300 IPZRWTRHPALMTC-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCOc1ccc2ccccc2c1/C=C1\S[C@H](Nc2ccc(CC)cc2)NC1=O 408768342 WIUFHGNSLRXIRN-DLBLZJNESA-N 404.535 5.401 0 40 HKAB COc1ccc(OC)c(-c2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C)c1 408830233 OXJKRTNRIHLAFL-UHFFFAOYSA-N 423.321 5.695 0 40 HKAB Cc1ccc(COc2ccc3ccccc3c2CNc2cccc(Cl)c2C)cc1 409111156 BHPYUHZNHJARQX-UHFFFAOYSA-N 401.937 7.301 0 40 HKAB Cc1cc(Nc2nc(C)cs2)nc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2)n1 585293095 WTXMXPAIAWOUDS-CVTTXWKISA-N 419.554 5.061 0 40 HKAB C[C@H]1CCC[C@H](NCCc2ccccc2)CCCC=Cc2cc(O)cc(O)c2C(=O)O1 1614466855 IYSJJGZMQMNANX-SIKLNZKXSA-N 423.553 5.211 0 40 HKAB biogenic COc1cccc2cc(-c3nnc(Nc4cccc(C(F)(F)F)c4)s3)c(=O)oc12 856282 DPHOCNJIRXTXRS-UHFFFAOYSA-N 419.384 5.083 0 40 HKAB O=C(Nc1ccn(Cc2ccccc2Cl)n1)C1c2ccccc2Oc2ccccc21 1002495 UTLBOYYGWMWFBB-UHFFFAOYSA-N 415.880 5.461 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1)c1ccc(OS(O)(O)c2ccccc2)cc1 1102793 VPFLRIKTNVQZCP-UHFFFAOYSA-N 410.900 5.276 0 40 HKAB CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 1301107 QJIPBIMAAKUCHD-RUZDIDTESA-N 406.489 5.237 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CCCCCCCCCCC1 1787728 FTNFPJNBCVUGOO-UHFFFAOYSA-N 402.966 6.707 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cn1cc(-c2ccc(Cl)cc2)[n+]2c1CCC2 1949648 KMYSTACCJFWPNY-AGHHOFFYSA-N 415.985 5.046 0 40 HKAB CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 2069746 CWNKNSWKIOORSE-UHFFFAOYSA-N 400.950 5.666 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 2131863 NTSLOHRQJNECNS-UHFFFAOYSA-N 408.542 5.198 0 40 HKAB Cc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 2194348 VBJCAQPVDRHUSV-RBBKRZOGSA-N 418.338 6.254 0 40 HKAB COc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2-c2ccccc2)cc1 2273258 UPMIRXWFXMWQSY-UHFFFAOYSA-N 402.497 7.086 0 40 HKAB Cc1cc(C)c(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCC4)c(C)c1 2368569 DRPSOULEZCILRJ-UHFFFAOYSA-N 417.534 5.805 0 40 HKAB Cc1cccc(N2C(=O)S/C(=C\c3ccc(-c4nc5ccccc5s4)o3)C2=O)c1 2406941 JUZQBXWZIHVNIU-UNOMPAQXSA-N 418.499 6.106 0 40 HKAB CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc2ccccc2c1 2497216 NIHPHFFURZNTNT-UHFFFAOYSA-N 419.502 5.207 0 40 HKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c[nH]c2ccccc12 2543376 KWDDUDBRESDVEO-UHFFFAOYSA-N 400.278 5.027 0 40 HKAB COc1cccc(N(C(=O)Cc2ccccc2OC)c2nc3ccccc3s2)c1 2633875 XJQYJVCGWOMNEZ-UHFFFAOYSA-N 404.491 5.221 0 40 HKAB Cc1ccc(C(=O)N(c2ccc(SC(F)F)cc2)c2nc3ccccc3s2)o1 2662737 UXBKXVGAZCGPBM-UHFFFAOYSA-N 416.474 6.491 0 40 HKAB Cc1cccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)c1C 3012988 GCRGIYCKHZDQSK-DOTOQJQBSA-N 404.392 5.006 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@H](C)c3ccccc3)c3ccccc3n2)cc1 3224925 FYKNBEYWUSJEGO-LJQANCHMSA-N 424.500 5.244 0 40 HKAB CCC[C@H](CNC(=O)CSc1nc(C)cs1)c1ccc(Cl)cc1Cl 3312040 DRORAPLPUKQIHH-GFCCVEGCSA-N 403.400 5.551 0 40 HKAB CCc1ccc(C2(c3ccc(CC)cc3)C[C@H]2C(=O)Nc2ccccc2Cl)cc1 4852579 LOGMELVRHCLNGD-QFIPXVFZSA-N 403.953 6.410 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3cc(Cl)ccc3Cl)oc2C)cc1 5033054 GJBAKXWWZGFWFW-UHFFFAOYSA-N 403.265 5.773 0 40 HKAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)C1(c2ccc(Cl)cc2)CCCC1 5205425 NNKIIYWTTAUIDJ-UHFFFAOYSA-N 411.929 5.225 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(NC(=O)CCOc3cccc(C)c3)cc2)cc1 6561408 ROBCJIXNGNYTHQ-UHFFFAOYSA-N 418.493 5.054 0 40 HKAB O=c1[nH]c(/C=C/c2c(Cl)cccc2Cl)nc2scc(-c3cccs3)c12 6653629 RIAWTROIPQVKFE-VOTSOKGWSA-N 405.331 6.190 0 40 HKAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3cccc4ccccc34)n2)cc1 6787918 PQQFDWKHZQOYGM-UHFFFAOYSA-N 401.491 5.103 0 40 HKAB Cc1cc2sc(NC(=O)COc3ccc(C4CCCCC4)cc3)nc2cc1Cl 6826351 WNTDCCRJHLAXRT-UHFFFAOYSA-N 414.958 6.323 0 40 HKAB CCCOc1ccc(-c2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)cc1 7059947 VFLPGQCAWQNURX-UHFFFAOYSA-N 408.310 5.553 0 40 HKAB CC[C@@H](C)n1c(SCC(=O)Nc2cccc3ccccc23)nc2ccccc2c1=O 7237696 KTVPXAAWGFYNBM-MRXNPFEDSA-N 417.534 5.252 0 40 HKAB Brc1ccc(-c2nnc(COc3ccccc3-c3ccccc3)o2)cc1 8132891 LOLXTFYLAOSACP-UHFFFAOYSA-N 407.267 5.745 0 40 HKAB CCC(=O)N1c2ccccc2[C@H](N(C(=O)Cc2cccs2)c2ccccc2)C[C@@H]1C 8570011 XOWFNNZQWHRYMI-FDDCHVKYSA-N 418.562 5.600 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)cc2)cc1 8836409 IUVVUSRWRXYRGT-LADGPHEKSA-N 422.887 6.120 0 40 HKAB COc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cccc(C)c1 9427892 QOHYDKGBYHRMPD-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB O=C(NCc1ccccc1)/C(=C/c1ccccc1OC(F)F)c1nc2ccccc2[nH]1 9466540 VAGYDKOZDRRSFI-NBVRZTHBSA-N 419.431 5.021 0 40 HKAB Cc1coc2cc3oc(=O)c(CCC(=O)Nc4nc5ccccc5s4)c(C)c3cc12 9485887 SXMMOZGYHWEBMX-UHFFFAOYSA-N 418.474 5.337 0 40 HKAB O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)c1ccc(F)cc1 9545736 KEHWUGRWNYUQMC-UHFFFAOYSA-N 421.472 5.247 0 40 HKAB COc1ccc(C(=O)CSc2ncc(-c3cc(C)no3)c(-c3cccs3)n2)cc1 12233160 JYBDJEIZMQDXDF-UHFFFAOYSA-N 423.519 5.152 0 40 HKAB Nc1c(C(=O)Nc2ccccc2F)sc2nc3c(c(-c4ccccc4)c12)CCCC3 12250508 MCGQDZDHVSXRAC-UHFFFAOYSA-N 417.509 5.816 0 40 HKAB COc1cc(CNC2(c3ccccc3F)CCCC2)ccc1OCc1c(C)noc1C 12328724 OMUGAWYMIRYDBI-UHFFFAOYSA-N 424.516 5.577 0 40 HKAB C[C@H](Sc1nnc(N)s1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 12519972 KUYRKSNRRGOARP-NSHDSACASA-N 401.948 5.025 0 40 HKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H](c2ccc(F)cc2)N1 13110682 QUUXEFRWKBUKFP-NRFANRHFSA-N 401.466 5.358 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccc4ccccc4c3)ccc21 13708738 WUOWYOJZBXXNFK-GOSISDBHSA-N 408.501 6.374 0 40 HKAB COc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c1 13758923 WVTLFAQNICKGFW-UHFFFAOYSA-N 418.880 5.037 0 40 HKAB Cc1ccc(NC(=O)[C@@H](NCc2ccc(CN3CCCC3)cc2)c2ccccc2)cc1 14199166 NDZSAJKHOMXOHV-SANMLTNESA-N 413.565 5.060 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3ccco3)N3CCC(C)CC3)sc2c1 15860070 KPRDTUQNUOGVJL-QGZVFWFLSA-N 416.974 5.659 0 40 HKAB Clc1ccc(CN2CCCN(Cc3ccc(Cl)cc3)C2[C@@H]2CCC=CO2)cc1 19319515 JGPPHQWPOBRIBG-QFIPXVFZSA-N 417.380 5.720 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1 20144128 RUBMTZPJWWVSMW-UHFFFAOYSA-N 413.901 5.542 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20145302 BQGZCYHGEFWGKJ-UKTHLTGXSA-N 419.864 6.004 0 40 HKAB CCCCn1nc(NC(=O)COc2cccc(C)c2)c2cc3cc(C)ccc3nc21 21596596 FKCODJWQYLHQQJ-UHFFFAOYSA-N 402.498 5.019 0 40 HKAB CCOC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c(C)c1 22523552 ISNSOCFQXUWBNE-UHFFFAOYSA-N 412.338 5.350 0 40 HKAB Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)cc1 23153841 BUIMNIQIWQCYMW-UHFFFAOYSA-N 419.575 5.573 0 40 HKAB CC(C)c1ccc([C@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)c2cccs2)cc1 25001955 IWCONECJHOXCCZ-CVDCTZTESA-N 404.535 5.203 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](C)Nc1cccc(NC(=O)Nc2ccccc2)c1 40062406 SNQCBCDZHYJNGS-KRWDZBQOSA-N 418.497 5.168 0 40 HKAB Cc1ccc(NC(=O)N(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)c(C)c1 40095413 KODWRXSLZQMSQB-UHFFFAOYSA-N 410.949 5.482 0 40 HKAB FC(F)(F)c1cnc(NC[C@@H]2CC(c3ccccc3C(F)(F)F)=NO2)c(Cl)c1 43804489 XBUUQIQNIUVTFH-JTQLQIEISA-N 423.744 5.378 0 40 HKAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)NCc4ccc(Cl)cc4)ccc32)cc1 46078516 XENJSADHXSDWGH-UHFFFAOYSA-N 418.924 5.171 0 40 HKAB O=C1CCCN1c1ccc(NC(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1 47378879 HJXQRCDOTDHHAN-UHFFFAOYSA-N 417.431 5.029 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1OC 49005057 UUBCXINATFVQFC-QGZVFWFLSA-N 404.514 5.095 0 40 HKAB Cc1ccc(C)c(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c1 57486338 XGPILAXZNCMXPY-UHFFFAOYSA-N 416.590 6.783 0 40 HKAB Cc1ccc(NC(=O)[C@@H](C)SC(c2ccc(F)cc2)c2ccc(F)cc2)c(C)c1 58027350 YJJMPVNESLWJKX-QGZVFWFLSA-N 411.517 6.431 0 40 HKAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(Cl)c2F)n1 67297954 WVDNPZDBLCRXFQ-ROMGYVFFSA-N 423.831 5.119 0 40 HKAB Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@@H](O)CCC1 68705049 DHAVVSHZLVKYGS-NDEPHWFRSA-N 424.588 6.022 0 40 HKAB CCOc1cc(C(=O)NCCCCN2CCC[C@@H](C)C2)cc(-c2ccccc2)c1OC 70040786 YBGOZAXIGCPGMZ-HXUWFJFHSA-N 424.585 5.003 0 40 HKAB CC(C)n1c2ccccc2c2c1cc(C(=O)NC1CCCCCC1)n2C(=O)N(C)C 96037391 ZYURGZCHNWRDFA-UHFFFAOYSA-N 408.546 5.159 0 40 HKAB CC(C)c1ccc(OCC(=O)NCCSC2CCCCC2)c(Br)c1 218871467 UWUYDDCIZUSKKH-UHFFFAOYSA-N 414.409 5.133 0 40 HKAB Cc1ccc(N2CCC(C(=O)Nc3ccc(CSc4ccccc4)cc3)CC2)cc1 219853555 OURKIFWMSQWTOY-UHFFFAOYSA-N 416.590 6.142 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1OCC 222694912 GVUORUYPQHNNNE-QZTJIDSGSA-N 411.542 5.008 0 40 HKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(C)cc2)o1 222869228 WRVRTDGSIBRZNM-NHCUHLMSSA-N 409.580 5.517 0 40 HKAB CCOc1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1Cl 223031060 KRFHBPRHVVUWAW-UHFFFAOYSA-N 402.318 5.194 0 40 HKAB CC[C@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc2c(c1)CCCC2 223137756 YJIJCGIAVXQSGI-QFIPXVFZSA-N 415.599 5.435 0 40 HKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1 224374414 ZWEXSDYJBTUKNA-XZOQPEGZSA-N 404.583 5.765 0 40 HKAB O=C(Nc1nnc(-c2ccccc2)s1)/C(=C/c1ccccc1Cl)c1ccccc1 225299757 GZQYVDKLFKTKKD-XDJHFCHBSA-N 417.921 6.038 0 40 HKAB O=C(Nc1ccc(OCCCN2CCCCC2)cc1)C1(c2ccccc2)CCCCC1 225534577 HDHRTWLELNQQLS-UHFFFAOYSA-N 420.597 5.782 0 40 HKAB O=C(NC[C@@H](O)c1csc2ccccc12)NC(c1ccccc1)c1ccccc1 225699550 LUPXRAQJINHHJY-OAQYLSRUSA-N 402.519 5.024 0 40 HKAB CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OCC)c2)CCCCC1 225851559 MLITYLTWACQSCD-KRWDZBQOSA-N 405.535 5.109 0 40 HKAB Cc1ccc(N(C)C(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1C 225910797 VSRYJWUFYJZNNF-QGZVFWFLSA-N 405.369 5.485 0 40 HKAB Cc1ccccc1CNC(=S)c1ccccc1OCc1ccc(Cl)c(Cl)c1 408575388 OCQSQWZHILPAEB-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB COc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1F 408694693 LUMKPSZOBZVYHU-UHFFFAOYSA-N 417.527 5.236 0 40 HKAB CCOc1cccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c1 408808182 DZMUMMOCRFKLJJ-QMJJWYKPSA-N 421.586 6.139 0 40 HKAB CC1=C[C@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@@H](c3ccc4c(c3)OCO4)[C@H]1[C@H]2C 504727374 FSFRMGYTTNBARV-PXQIFEOCSA-N 420.505 5.178 0 40 HKAB biogenic CSc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 667216 TZSZPDUKEKYHNK-QFIPXVFZSA-N 424.547 5.028 0 40 HKAB Cc1cccc(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1C 843940 DCUBJOUEKGTLRQ-SFHVURJKSA-N 413.348 6.191 0 40 HKAB COc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)c(OC)c1 975783 UTLHYULGPPSDBK-CIAFOILYSA-N 405.475 5.094 0 40 HKAB S=c1[nH]nc(CCn2cnc(-c3ccccc3)c2-c2ccccc2)n1-c1ccccc1 984803 ZUNUWBRBUCCOAX-UHFFFAOYSA-N 423.545 5.703 0 40 HKAB CCOc1ccccc1Oc1coc2cc(OC(=O)c3ccccc3)ccc2c1=O 1448104 PKOBDALGJGTTNS-UHFFFAOYSA-N 402.402 5.203 0 40 HKAB biogenic Cn1c(-c2ccccc2)c(-c2ccccc2)c(=O)c(-c2ccccc2)c1-c1ccccc1 1557246 RDXQCYAKPSBGDN-UHFFFAOYSA-N 413.520 7.053 0 40 HKAB Cc1cc2nnc(SCCOc3ccc(Cl)cc3Cl)n2c2ccccc12 1746504 HGVVKQYEDORVCI-UHFFFAOYSA-N 404.322 5.669 0 40 HKAB Fc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1F 2266963 JVBFROIPHYEKAW-UHFFFAOYSA-N 402.231 6.625 0 40 HKAB Clc1ccc([C@@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)O2)cc1 2276585 LOCVCTDQWQYLRP-VQTJNVASSA-N 400.703 6.333 0 40 HKAB Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)c1 2406094 LXXKKYUVTPWOJU-QHCPKHFHSA-N 410.473 5.370 0 40 HKAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C)cc4C)c3n2)cc1 2769758 YLMCDHXCPRAEJC-UHFFFAOYSA-N 406.436 5.511 0 40 HKAB CCCCC[C@H]1CCc2nc(-c3ccc(I)cc3)ccc2C1 3108566 MBKKYSYMPJYVRP-HNNXBMFYSA-N 405.323 6.038 0 40 HKAB C[C@H](NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 3121653 PWAFJYBEYNXTED-GOSISDBHSA-N 411.394 5.610 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)c1 4070499 WCZSUHFOPYLPAG-UHFFFAOYSA-N 409.294 5.386 0 40 HKAB CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3C[C@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 4081303 YYJQALYDDZZWSF-QYZCPXBBSA-N 400.603 5.335 0 40 HKAB biogenic Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3cnc4ccccc4c3)c(N)c12 4575692 YADNOAUWZNFJHJ-UHFFFAOYSA-N 402.401 5.006 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)c3ccccc3CCc3ccccc3)ccc21 4710479 KGZNQPZNYYQYPH-UHFFFAOYSA-N 418.540 6.852 0 40 HKAB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)Nc1nc2c(s1)CCCC2 4849479 BWPXWQIJBHLLJP-UHFFFAOYSA-N 411.596 5.480 0 40 HKAB CCCCCCSc1nc(SCCC)nc2sc3c(c12)CC(C)(C)OC3 5072421 JBKGSJZBRHMLLB-UHFFFAOYSA-N 410.674 6.717 0 40 HKAB Clc1ccccc1-c1nnc2n1N=C(c1ccc(-c3ccccc3)cc1)CS2 5091266 ONXYOXMVHXNHEA-UHFFFAOYSA-N 402.910 5.624 0 40 HKAB CCc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)cc1 5235893 SVSWHZJOFXOCGP-FQEVSTJZSA-N 413.496 5.307 0 40 HKAB COc1ccccc1NC(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cc1 6286216 RLVKTJHUHLRRJW-UHFFFAOYSA-N 410.473 5.282 0 40 HKAB CCCn1c(C)cc(C(=O)CSc2nnc([C@H](C)Oc3ccc(F)cc3)o2)c1C 6374646 OOYCZYVDWVAEPG-HNNXBMFYSA-N 417.506 5.152 0 40 HKAB CCCCc1ccc2nc(NC(=O)c3cc(Cl)cc(Cl)c3OC)sc2c1 6398113 JNFRJTBWFUJEMD-UHFFFAOYSA-N 409.338 6.207 0 40 HKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 6824522 CJXLAZCJVZXDAK-IUKKYPGJSA-N 423.553 5.274 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N(c3ccccc3)C(C)C)c2n1 6832120 CCZHOJJCAJGNQU-UHFFFAOYSA-N 403.309 5.670 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2ccc(C)cc2)sc2c1CCCC2 6955677 WJLLXZPSPXLDLO-AWEZNQCLSA-N 403.569 5.231 0 40 HKAB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1 7375675 WKMZWWOHQRRKCJ-IZZDOVSWSA-N 400.305 6.306 0 40 HKAB Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 7670464 RPJVFGJBEPMCJV-UHFFFAOYSA-N 401.900 5.741 0 40 HKAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccccc1-c1nc2ccccc2s1 8073212 RPFYBUOGIRFDTI-IBGZPJMESA-N 400.459 5.204 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8106076 OXBIAEFDDIYHMD-HUUCEWRRSA-N 400.931 5.123 0 40 HKAB COc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCCc1ccccc1 8534858 BFQIKCGURLEYKZ-DZKAJJGSSA-N 419.609 6.011 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](Sc1ncnc2sccc12)c1ccccc1 8860791 AEKFHGNETFPIKY-IBGZPJMESA-N 421.547 5.562 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 10314270 MDPLFGYEQIFNQT-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 12561512 HZGYJRYBXODOSF-DRSNIGMVSA-N 422.396 5.438 0 40 HKAB COc1cccc(/C=C/C(=O)Oc2c(Cl)cc(Cl)c3ccc(C)nc23)c1OC 12652191 XIPRZCMSKZOUPF-CSKARUKUSA-N 418.276 5.486 0 40 HKAB O[C@H](Cn1c(-c2cccnc2)nc2ccccc21)Cn1c2ccccc2c2ccccc21 13510800 AELAHDARQOQTOD-FQEVSTJZSA-N 418.500 5.267 0 40 HKAB CCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 13811188 HSQWAHVHTBBALJ-UHFFFAOYSA-N 419.868 5.708 0 40 HKAB C[C@H]1Sc2ccc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)cc2NC1=O 14912173 VBJLDAAICHOYBY-CYBMUJFWSA-N 415.946 5.015 0 40 HKAB Cc1cccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)c1 16841416 SFIYFEAVXHUNFA-UHFFFAOYSA-N 403.301 5.143 0 40 HKAB COc1cc(NC(=O)c2cccc(C)c2OC)ccc1NC(=O)c1ccccc1Cl 17094137 WPMXXXIJWJQGBF-UHFFFAOYSA-N 424.884 5.170 0 40 HKAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN2C(=O)C2CCCCC2)n1 19689611 GRWNJORHMMUFBI-FQEVSTJZSA-N 412.965 5.107 0 40 HKAB Cc1ccccc1[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1 20108603 TUPFVJWEFWEXTQ-HHHXNRCGSA-N 407.513 6.093 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSCc1ccc(Cl)cc1 20240062 RALCMTMLKMEDLO-XBXARRHUSA-N 400.758 5.710 0 40 HKAB Cc1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1NC(=O)c1cccnc1 20352776 FLZYYGUAKVRFPW-UHFFFAOYSA-N 406.791 6.107 0 40 HKAB Cc1ccc(CN(C)C(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)cc1 21198144 ZWYIJCHVBYEZRQ-UHFFFAOYSA-N 424.610 5.150 0 40 HKAB O=C(O)C/C(=C/c1ccc(OC(F)F)cc1OC(F)F)c1nc2ccccc2o1 21742521 XWHFGNGEOOITGE-XFFZJAGNSA-N 411.307 5.046 0 40 HKAB CCOc1cc(/C=C/C(=O)O)c(Br)cc1OCc1ccccc1Cl 22638110 IDDRZGYXCUTSOZ-BQYQJAHWSA-N 411.679 5.178 0 40 HKAB O=C(Nc1cccc(C2SCCS2)c1)c1cnn(Cc2ccccc2Cl)c1 27133406 AISRCOOCPNLHDT-UHFFFAOYSA-N 415.971 5.316 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 27680360 MFERFNBYAXHQSW-ZDUSSCGKSA-N 424.863 5.119 0 40 HKAB Cc1nn(Cc2ccc(C(=O)Nc3cccc(Cl)c3C)o2)c(C)c1Br 28224928 SUNJIHYOHVJTHW-UHFFFAOYSA-N 422.710 5.118 0 40 HKAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)[C@H](Sc1ccccc1)c1ccccc1 32827911 GWANMMJPMKLHNE-OAQYLSRUSA-N 417.559 6.007 0 40 HKAB Cc1nc2ccccc2n1CC1CCN(C(=O)Cc2ccc(SC(C)C)cc2)CC1 38533749 MOBOEAMDXRBOIH-UHFFFAOYSA-N 421.610 5.327 0 40 HKAB C[C@H]1CCc2nc3sc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c(N)c3cc2C1 39323721 FUGMRDDBDZWABH-JTQLQIEISA-N 421.444 5.154 0 40 HKAB O=C(CCCc1cccs1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 57995142 TYTSGMFHNUVOFO-UHFFFAOYSA-N 419.377 6.002 0 40 HKAB CC(C)c1ccc(-c2nc(CSc3nnc(N4CCCC4)s3)cs2)cc1 64656593 BHBSBLGZJCBSJL-UHFFFAOYSA-N 402.614 5.678 0 40 HKAB CCOc1ccc(-n2c(SCc3cc(F)ccc3F)nc3ccccc3c2=O)cc1 67259637 SVUBYQMCHZVJCG-UHFFFAOYSA-N 424.472 5.355 0 40 HKAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 71844294 YXDIBPAOFZLIGQ-FGZHOGPDSA-N 422.956 6.112 0 40 HKAB Cc1ccc2c(-c3cc4c(CNC5CCCC5)cnc(C)c4o3)cc(=O)oc2c1C 95477131 OWCGNLVZBYQELB-UHFFFAOYSA-N 402.494 5.559 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1 96503934 RYORKLMSLJFTDT-UHFFFAOYSA-N 422.695 6.457 0 40 HKAB CCOc1cccc2sc(NC(=O)[C@@H](C)Oc3cccc(C(F)(F)F)c3)nc12 141562281 GTDARPUTNAJQOV-LLVKDONJSA-N 410.417 5.120 0 40 HKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)NCc2ccc(Cl)cc2)c(C(C)C)c1 216571022 PTLSZLAEGXGJGU-UHFFFAOYSA-N 408.007 6.189 0 40 HKAB C[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc2c(c1)OCCO2 222689892 RXOVQVRCFQEJEO-KRWDZBQOSA-N 405.519 5.241 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 222918692 JNIAYSRXJMDLOA-QFIPXVFZSA-N 408.542 5.016 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 222938331 GXZFBQORPVEZMF-VXKWHMMOSA-N 409.570 5.869 0 40 HKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(OCC)cc2)o1 222982305 OWBMVOCVNLRCMJ-DHIUTWEWSA-N 421.566 5.513 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1C(C)C 223331144 BEYFUMMWPIYYQZ-NRFANRHFSA-N 415.577 6.403 0 40 HKAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1cccc(Cl)c1 224152566 RTVPWXIEOKAPNB-GOSISDBHSA-N 423.940 5.679 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1C 224264785 ZZTFTMFPSOJWJT-BJKOFHAPSA-N 418.610 5.875 0 40 HKAB COc1ccc(NC(=O)c2ccc(OC)c(COCc3ccccc3)c2)cc1Cl 224353093 WJTZGRIADCMGHY-UHFFFAOYSA-N 411.885 5.326 0 40 HKAB COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3cccc(OC)c3)o2)cc1 224901016 OUVDTFGZXPBFEA-UHFFFAOYSA-N 400.434 5.278 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NCCSCc2ccc(C)cc2)cc1Cl 225294034 SKCVCQGLTQEUSN-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225745314 HEANBACKXWOYCM-XMMPIXPASA-N 404.595 5.255 0 40 HKAB Cc1cccc(CNC(=S)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1 408577512 SWEDBYNMMXYKQZ-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB Cc1ccc(COc2ccc(CNc3ccc(Cl)cc3Cl)cc2Cl)cc1 408605931 HJWDBGFDWSDIFA-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(Cl)cc2)cc1C 408698939 TZOIAODENJPJFR-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB COc1ccc(/C=C(/C(=O)NCCSCc2ccccc2)c2ccccc2)cc1 408922011 NWRBAWVAZMDRRE-HKOYGPOVSA-N 403.547 5.285 0 40 HKAB C[C@@H](NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)c1nc2ccccc2n1C(F)F 648441106 QPWZPRFFRJIESZ-JESXBGFQSA-N 401.501 5.605 0 40 HKAB COc1ccc(OC)c(-c2cc(C(=O)NC3CCCCCC3)c3ccccc3n2)c1 679874 UVRJZOQSPQAZOV-UHFFFAOYSA-N 404.510 5.372 0 40 HKAB CC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc12 944063 OXDIQSKQEXPFFA-UHFFFAOYSA-N 419.930 5.696 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2ccc(OC)cc2)c1 1006626 WAGQJKRJEHAZBT-UHFFFAOYSA-N 424.884 5.252 0 40 HKAB CC(C)c1nc2sc3c(c2c2nnc(SCc4ccccn4)n12)CC[C@H](C)C3 1376566 IQDBZMCBQPOKBS-ZDUSSCGKSA-N 409.584 5.275 0 40 HKAB Cc1cccc(COc2ccccc2C(=O)c2cnn(-c3ccc(Cl)cc3)c2)c1 1385101 PCKNBPHACYYGAG-UHFFFAOYSA-N 402.881 5.644 0 40 HKAB O=Cc1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 1410685 OZTZSBCQUZOQFE-UHFFFAOYSA-N 404.485 5.257 0 40 HKAB in-vitro Cc1cccc(N2COc3c(cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C)C2)c1 2113401 CLQSEPWZDQNSIA-UHFFFAOYSA-N 411.501 5.666 0 40 HKAB biogenic Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(Cl)c1)N(Cc1ccco1)C3=O 2368208 UZKIEXIZJARMAQ-NRFANRHFSA-N 419.864 5.402 0 40 HKAB Fc1ccc(-c2csc3ncnc(Oc4ccc(Br)cc4F)c23)cc1 2637504 NNAIMSAPFNWKPN-UHFFFAOYSA-N 419.250 6.191 0 40 HKAB O=C(CNc1ccc(F)cc1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 2887591 OKOXWIDFOYMHKV-UHFFFAOYSA-N 410.301 5.230 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1c2c(nn1-c1cccc(C)c1C)CSC2 3008343 MUZLWTPXIBMVLL-UHFFFAOYSA-N 413.930 5.150 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccccc2-c2ccc(C)cc2)cc1 3217081 CQEXTROCRFBUHM-LJQANCHMSA-N 401.506 5.971 0 40 HKAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)OCc1c(Cl)cccc1Cl 3268926 QSFQRUVWZJNAIO-LJQANCHMSA-N 408.325 5.190 0 40 HKAB Cc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc(Cl)cc1 3459443 ISYTVLRRRVQPLU-UHFFFAOYSA-N 407.720 5.787 0 40 HKAB O[C@@H](COc1ccc(Cl)cc1Cl)CN(Cc1ccccc1)c1ccccc1 4189813 RHUXYTUJBJXFCS-HXUWFJFHSA-N 402.321 5.440 0 40 HKAB Cc1ccc(C)c(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1C 5150080 VTNCITVJWCRSLO-UHFFFAOYSA-N 418.924 5.721 0 40 HKAB Cn1c(NC(=O)c2ccccc2Cl)c(-c2ccccc2F)c(=O)c2ccccc21 5345633 JFCWFJSZVVRUGD-UHFFFAOYSA-N 406.844 5.250 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Oc1ccccc1 6252040 MYBLNMDOKGMAKH-CQSZACIVSA-N 402.277 6.192 0 40 HKAB COc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1C 6302874 IOTFQTSMJVWLAE-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccccc2)C1=O 6345945 LHLZPWHFTSGZRO-HMAPJEAMSA-N 403.503 5.864 0 40 HKAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2cccc(Cl)c2)o1 6392110 MFZISJJQUIAVCE-UHFFFAOYSA-N 415.320 6.496 0 40 HKAB FC(F)(F)c1nc(N2CCC[C@H]2c2nc3ccccc3s2)c2ccccc2n1 8074389 NVGWFLDNQYLHNV-HNNXBMFYSA-N 400.429 5.600 0 40 HKAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 8161306 ZBMCIRMOVOBYSG-UQBPGWFLSA-N 417.505 5.317 0 40 HKAB Cc1cccc(N(c2ccc3ccccc3c2)S(=O)(=O)c2ccc(Cl)cc2)c1 8434718 XJNMYJKDKBFMNA-UHFFFAOYSA-N 407.922 6.329 0 40 HKAB O=C(OCc1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccc(Cl)c1Cl 8843203 DNWMMJVDVBAWDK-UHFFFAOYSA-N 416.087 6.917 0 40 HKAB Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccccc2C)c1 9250136 QNKJHVFKQWCQCA-UHFFFAOYSA-N 419.550 5.298 0 40 HKAB Cc1ccc(Cn2c([C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)nc3ccccc32)cc1 12538675 OTDSYHCNVGRBFX-OAQYLSRUSA-N 413.496 5.048 0 40 HKAB Cc1ccc(Oc2ccccc2NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 13020538 CRNFOSBHBQJGFT-OAHLLOKOSA-N 404.491 5.472 0 40 HKAB COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2cc(C)sc2C)c1 13095912 VZKLJVFWMBDRLH-UHFFFAOYSA-N 421.440 6.437 0 40 HKAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1cc(C(F)(F)F)ccc1Cl 13595810 XUNYDWQSOMVUBZ-UHFFFAOYSA-N 420.243 5.619 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2sc3cc(Cl)ccc3c2Cl)N2CCCC2)o1 15860460 RTFLZKPZCNRSJL-HNNXBMFYSA-N 423.365 5.676 0 40 HKAB CC[C@H](C)c1ccc(OCCn2c(CNC(=O)c3ccco3)nc3ccccc32)cc1 15922092 ZONNFLNYWUXJJS-SFHVURJKSA-N 417.509 5.152 0 40 HKAB c1ccc(COc2ccc3ccccc3c2CNCCc2c[nH]c3ccccc23)cc1 16480633 HTKFUSPRVCSJME-UHFFFAOYSA-N 406.529 6.232 0 40 HKAB FC(F)(F)c1cccc(NC(=S)Nc2nc3c(ccc4ccccc43)s2)c1 16526152 NFSKQPIBGRAGHK-UHFFFAOYSA-N 403.454 6.277 0 40 HKAB O=C(c1cccs1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccccc3)CC[C@H]21 19372272 XNXXODSKFPBCIP-DNVJHFABSA-N 420.553 5.018 0 40 HKAB COc1ccc(C)cc1CC(=O)N1CCC[C@@H]1c1cc(-c2ccccc2)cc(C)n1 19690560 ZQZJKWJDIOMNLT-XMMPIXPASA-N 400.522 5.280 0 40 HKAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 20139967 FJOGPXNUNVPWTC-UHFFFAOYSA-N 410.640 5.857 0 40 HKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 20140219 LJZCGFKSQOZOGY-UHFFFAOYSA-N 407.853 5.913 0 40 HKAB FC(F)(F)c1cnc(NCCn2cnc3cc(C(F)(F)F)ccc32)c(Cl)c1 20405677 REVHJEITDGJHRD-UHFFFAOYSA-N 408.733 5.234 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(NC(=O)c2ccco2)c1 20981572 URCWEZUBZFMKSA-UHFFFAOYSA-N 423.428 5.592 0 40 HKAB O=C(O)C/C(=C/c1cccc(Oc2ccc(Cl)cc2)c1)c1nc2ccccc2s1 21540107 MNEVNDWMLGHQKV-VBKFSLOCSA-N 421.905 6.757 0 40 HKAB CC(C)c1ccc(-c2noc(CCC(=O)N3CCC(Cc4ccccc4)CC3)n2)cc1 23681203 RJASCRPQYQCMCX-UHFFFAOYSA-N 417.553 5.274 0 40 HKAB CCOc1ccccc1-c1nnc(SCc2sc3ccccc3c2Cl)o1 25037229 ANEQJAFXYCQMMC-UHFFFAOYSA-N 402.928 6.296 0 40 HKAB CCn1c(SCc2cccnc2)nnc1-c1cc(-c2ccccc2)nc2ccccc12 27772813 DPMXFTGCLOMCLS-UHFFFAOYSA-N 423.545 5.868 0 40 HKAB O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc(COc2ccccc2Cl)o1 28230673 VQJIOPKMEYWFCW-UHFFFAOYSA-N 407.857 5.009 0 40 HKAB COc1ccc(S[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1OC 30849904 LQYQQESNVJJIKR-KRWDZBQOSA-N 407.535 5.090 0 40 HKAB COc1ccc(/C=C(/C(=O)NCc2ccc(OC(C)C)cc2)c2ccccc2)cc1 30852253 PXUHYEBTFLHGJU-KOEQRZSOSA-N 401.506 5.339 0 40 HKAB CC(=O)c1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1 36615986 FZBRCECOEZVJQQ-UHFFFAOYSA-N 424.504 5.120 0 40 HKAB CC(C)Sc1ccccc1C(=O)NCCNc1ncc(C(F)(F)F)cc1Cl 40043385 UVBZWKLTWBIVHG-UHFFFAOYSA-N 417.884 5.096 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)c(OC)c1 40487487 NWPKBOCTGCIDNO-ZJSXRUAMSA-N 420.896 5.600 0 40 HKAB CCc1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)c(Br)c1 44836845 UQAATZYDYMVBQZ-UHFFFAOYSA-N 417.130 5.014 0 40 HKAB O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccccc1OCc1ccc(Cl)cc1 60362228 BRBOZGLLKPIGEG-UHFFFAOYSA-N 412.898 5.147 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C(C)C)c2)c(C)c1 67297106 HRAFLZXULXSLSB-DQSJHHFOSA-N 410.517 6.658 0 40 HKAB COc1ccc(C2=C(CN(C)C)[C@@H](Cc3ccccc3)c3ccccc3O2)cc1OC 71405264 DMSJJPVUPIAKFP-QFIPXVFZSA-N 415.533 5.395 0 40 HKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cc(Cl)c(N)c(Cl)c3)c12 84066746 CWPGWBRFHQBETQ-UHFFFAOYSA-N 413.264 5.340 0 40 HKAB CC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)[C@H](C)c1cccs1 102720538 BXEUCOHZDIOKBI-PBXXJUDPSA-N 413.627 6.129 0 40 HKAB CC(C)=CCC/C(C)=C\Cc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)c(O)cc1O 111471668 GJFHZVPRFLHEBR-BVWSZMRYSA-N 424.493 5.451 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 223032221 SLUNHTSNAVHJMK-UXHICEINSA-N 417.933 5.233 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(Br)c(Cl)c1 223790621 NKHKSPIZDPQSIP-UHFFFAOYSA-N 423.134 5.767 0 40 HKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 224342742 XJXFCOGCCFHIKO-LOSJGSFVSA-N 424.573 5.612 0 40 HKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 224358755 JNLGEDFMHZXCJV-XZOQPEGZSA-N 404.583 5.765 0 40 HKAB CC[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(OC)c(C)c1 224833488 YOAWTMGUAUASAT-QFIPXVFZSA-N 405.563 6.177 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1CN1CCCCC1 224837341 UNTCAAYUUJYGRL-VWLOTQADSA-N 416.565 5.300 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)c1 225363217 JPSKNPRKGWOWEK-IBGZPJMESA-N 405.563 6.676 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NCCCSc2ccc(C)cc2)cc1Cl 225588513 UZQKSQFOCAUFQC-UHFFFAOYSA-N 423.003 5.294 0 40 HKAB O=C(Nc1ccc(Br)cc1F)c1snnc1-c1ccc(Cl)cc1 225770114 SQCSPNCUSQXJNL-UHFFFAOYSA-N 412.671 5.012 0 40 HKAB Nc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c(Br)c1 227157695 XGIKDSSXHVRULD-UHFFFAOYSA-N 409.642 5.336 0 40 HKAB CCCc1nc(COc2ccccc2C(C)C)c(C(=O)O)cc1-c1ccccc1F 257250480 JMRMWBKQPWSQJX-UHFFFAOYSA-N 407.485 6.241 0 40 HKAB CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)cc1)CN2Cc1ccccc1 257286869 PNJQYGCAEAVVKK-VABKMULXSA-N 410.533 5.051 0 40 HKAB CCCc1s/c(=N\C(=O)c2cccc3ccccc23)n(CC)c1-c1ccccc1 408560940 FYPCCPDEWKHJOL-QPLCGJKRSA-N 400.547 6.083 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1OCC 408622266 PLPRWHYOHPPENU-UHFFFAOYSA-N 405.494 6.227 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)cc4)ccc3o2)c1 408624635 YJZHRAGPMNZMQY-BJMVGYQFSA-N 402.881 6.417 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 408994662 IJUNNVMAHVBRTQ-BVYCBKJFSA-N 410.300 6.163 0 40 HKAB Fc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 409100261 TZQMRPXDLWYDSL-UHFFFAOYSA-N 409.917 5.943 0 40 HKAB CCN1C(=O)S/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)C1=O 409105369 NBWZFQMYKIIODO-HYARGMPZSA-N 403.503 5.783 0 40 HKAB COc1ccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 409112565 DYKNIXKPWXJGJA-UHFFFAOYSA-N 403.909 6.693 0 40 HKAB CCc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 409115535 JJVQPVYVSYEEAN-UHFFFAOYSA-N 420.767 7.400 0 40 HKAB COc1cc(CNc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409253206 FEJCUOGHGOAQSM-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB Cc1ccc(OCc2nnc(SCC(=O)c3ccccc3)n2-c2ccccc2)cc1 642923 YMBDKNDJNJIXSK-UHFFFAOYSA-N 415.518 5.130 0 40 HKAB aggregator O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1csc(-c2ccccc2)n1 1047670 WTUXBBPXSNQWIC-UHFFFAOYSA-N 416.346 6.100 0 40 HKAB CC1=C(C#N)[C@H](c2ccccc2)C2=C(C[C@@H](c3ccc(Br)cc3)CC2=O)O1 1070319 YIMAAXDLENHIHZ-JTSKRJEESA-N 420.306 5.761 0 40 HKAB Cc1cc(Br)ccc1OCC(=O)N(C1CCCCC1)C1CCCCC1 2179133 CJIPPCXZVRQZFB-UHFFFAOYSA-N 408.380 5.630 0 40 HKAB CCCc1cc(Nc2ccc(Cl)c(Cl)c2)n2nc(C)c(-c3ccccc3)c2n1 2225553 VKSLQBJKSWDTEL-UHFFFAOYSA-N 411.336 6.708 0 40 HKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccccc1OC(F)F 2624433 QAZNCUCIQGOSEG-UHFFFAOYSA-N 422.456 6.331 0 40 HKAB Cc1ccc(Cn2cc3c(-c4ccc(C)c(C)c4)nnc-3c3cc4c(cc32)OCO4)cc1 2690097 YGRZXJSDSZJHCI-UHFFFAOYSA-N 421.500 5.905 0 40 HKAB Cc1cccc(NC(=O)NC2(C(F)(F)F)Oc3cc(Cl)c(Cl)cc3O2)c1 2725432 BHLGJOBKKMPYTQ-UHFFFAOYSA-N 407.175 5.111 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccc(Cl)cc1 3092842 NCGMCWNKMNVRSI-UHFFFAOYSA-N 404.680 6.130 0 40 HKAB O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@H]1c1ccc(Br)cc1 3120619 WZIFLZKXPOGOFN-FCHUYYIVSA-N 409.279 5.351 0 40 HKAB Cc1ccc(OCC(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1 3655395 YRIQJFNOQVLPLY-UHFFFAOYSA-N 403.409 5.129 0 40 HKAB CCC(=O)[C@H]1[C@H](CC)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 4038921 XFFDYWGJZFMHBB-CYLLOWCCSA-N 400.603 6.112 0 40 HKAB biogenic COc1ccccc1[C@@H]1CC(c2cccs2)=NN1c1cccc(Br)c1 4712862 ZEKUKBYQUAFFPB-SFHVURJKSA-N 413.340 5.875 0 40 HKAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccccc1C(F)(F)F 4848633 LRUGWCCWYPPKGZ-UHFFFAOYSA-N 404.457 5.855 0 40 HKAB Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@@H](c1cccnc1)O2 4871796 NTSXZTJFYARBHS-QFBILLFUSA-N 412.312 5.148 0 40 HKAB CCOc1ccc(-c2nn(-c3ccccc3)c3c2cnc2c(F)cc(F)cc23)cc1 4970351 GGTGWRSYPRCJAS-UHFFFAOYSA-N 401.416 5.918 0 40 HKAB COc1ccccc1Nc1nnc(SCCCC(=O)c2ccc(F)cc2)s1 6035816 QNPXYARWSWUXOY-UHFFFAOYSA-N 403.504 5.185 0 40 HKAB CCc1ccc(/C=N/n2c([C@@H](C)CC)nc3ccc(Br)cc3c2=O)cc1 6356169 WFBVDCDCXABLCT-WQEJZQBCSA-N 412.331 5.117 0 40 HKAB CCOC(=O)c1sc(NC(=O)c2ccc3c(c2)CCCC3)nc1-c1ccccc1 6655982 GQFGKKTWRWFFRT-UHFFFAOYSA-N 406.507 5.118 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(c2ncnc3c2[nH]c2ccc(Cl)cc23)CC1 6662857 FAJOPTCNZXIARZ-UHFFFAOYSA-N 412.324 5.053 0 40 HKAB CCSc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1 7572883 PJIFHKNEPNBUEC-UHFFFAOYSA-N 406.532 6.033 0 40 HKAB N#CCOc1ccc2ccccc2c1/C=C(\Sc1nc2ccccc2o1)C(=O)O 7603144 VWCGPFACPPODPW-MOSHPQCFSA-N 402.431 5.101 0 40 HKAB Cc1nnc(SCC(=O)N[C@@H](C)c2cccc3ccccc23)n1C1CCCCC1 8157330 ICRLOJRAJGZQRN-INIZCTEOSA-N 408.571 5.214 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 8327659 GOMZDKFVGHXSJP-UHFFFAOYSA-N 410.857 5.597 0 40 HKAB COc1cc2sc(NC(=O)COc3cc(C)c(Cl)c(C)c3)nc2cc1Cl 8335983 FDOXHUIQVXJTQH-UHFFFAOYSA-N 411.310 5.246 0 40 HKAB Fc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)c(Br)c1 8346068 CXOAHGHDAAOXKO-UHFFFAOYSA-N 401.260 6.052 0 40 HKAB CC(=O)N([C@H]1CCOC(C)(C)C1)[C@H](c1ccc(C)cc1)c1ccc(OC(C)C)cc1 8991446 IHJAIEPRLUWUBQ-UKILVPOCSA-N 409.570 5.678 0 40 HKAB O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1ccc2ccccc2c1 9233168 MWKHVPXFWOPIHH-XDHOZWIPSA-N 424.319 5.839 0 40 HKAB Brc1cccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 9308079 JEENBADTRHVEAH-UHFFFAOYSA-N 422.351 5.989 0 40 HKAB O=C(Nc1cccs1)Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1 9324185 BSMNAGUYURTZJG-UHFFFAOYSA-N 416.475 5.555 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)Cc1csc(COc2ccc(F)cc2)n1 9481622 NYBGNSGYTBJOQM-AWEZNQCLSA-N 413.543 5.664 0 40 HKAB CCCOc1cc(Nc2ccc(NC(=O)Nc3cc(C)ccc3OC)cc2)nc(C)n1 11613281 UCXJNOFGJCSCOG-UHFFFAOYSA-N 421.501 5.278 0 40 HKAB Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)cc2)cc1 11614461 ICCBENWFUAGHID-OAQYLSRUSA-N 401.849 5.505 0 40 HKAB Cc1cc(OCCCC(=O)Nc2cccc(-n3cc[nH]c3=S)c2)ccc1Cl 12528388 JSRUKDCLJJZQDJ-UHFFFAOYSA-N 401.919 5.294 0 40 HKAB COc1ccc(-c2nnc([C@H](C)N3CCCCC[C@H]3c3ccc(OC)cc3)o2)cc1 12690464 UMCNQFZUFPNORF-JTSKRJEESA-N 407.514 5.432 0 40 HKAB Cc1cccc(C)c1NC(=O)CCCS[C@@H](C)C(=O)Nc1ccc(C(C)C)cc1 12877130 NQSYDAFLKJEPFT-IBGZPJMESA-N 412.599 5.906 0 40 HKAB O=C1CCc2cc(OCC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc2N1 12947723 PICXUERNJVQVBH-UHFFFAOYSA-N 422.868 5.035 0 40 HKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2)CC1=O 14095759 LTUDZQRCEWJDCR-FQEVSTJZSA-N 405.542 5.012 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 17089834 IRAYMBQASRZDNN-UHFFFAOYSA-N 414.461 5.319 0 40 HKAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2Cl)c1 17246951 QPFYZAFTGSZOBQ-UHFFFAOYSA-N 424.913 5.136 0 40 HKAB CC(C)C(=O)OCCSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 18254368 PPXXIGGPNCQEPR-UHFFFAOYSA-N 401.915 5.140 0 40 HKAB c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCCN3Cc3ccncc3)n2)cc1 19373055 NUWYGFWDPUQZRA-DEOSSOPVSA-N 422.536 5.404 0 40 HKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)Cc3ccccc3F)c2)cc1 19691342 SGGGKNDSZTWAEQ-DEOSSOPVSA-N 404.485 5.111 0 40 HKAB O=C(O)c1cc(NC(=O)c2sc3ccccc3c2Cl)c(Cl)cc1Cl 20139483 QIOZABBLRZSPJL-UHFFFAOYSA-N 400.670 5.812 0 40 HKAB Clc1ccc(CO[C@H](Cc2ncc[nH]2)c2ccc(Cl)cc2Cl)c(Cl)c1 21983499 VHVBYHWOJSMAKP-QGZVFWFLSA-N 416.135 6.524 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1cccnc1Nc1cccc(Br)c1 22072794 RBYWFKXVHLTZFJ-UHFFFAOYSA-N 402.679 5.493 0 40 HKAB CCc1ccc(OCC(=O)N(C)[C@@H](c2ccc(C)cc2)c2c[nH]c3ccccc23)cc1 27793496 ORJDNTJZVQPTJZ-MHZLTWQESA-N 412.533 5.666 0 40 HKAB CCOC(=O)c1c(NC(=O)C2=Cc3ccc(C)cc3OC=C2)sc2c1CC[C@H](C)C2 33321293 HRLNEMWXZNFUSV-HNNXBMFYSA-N 423.534 5.286 0 40 HKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2Cl)cc1 40485659 XSLXSEFNCPDUKX-JOCHJYFZSA-N 424.327 6.355 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 59477568 APPYKUIROAWWDB-BMRADRMJSA-N 405.457 6.142 0 40 HKAB CCOc1ccc(-n2c(SCc3ccc(F)c(F)c3)nc3ccccc3c2=O)cc1 67259642 BTASIOGMHKTGSJ-UHFFFAOYSA-N 424.472 5.355 0 40 HKAB ClC1=C(Cl)[C@]2(Cl)C(c3ccccc3)=C(c3ccccc3)[C@H]1C2(Cl)Cl 71782978 JMLMIYNEEGMNER-CRAIPNDOSA-N 416.562 7.082 0 40 HKAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CCCC1 96997818 JAVGTVXPPOSKHU-JKSUJKDBSA-N 407.398 5.755 0 40 HKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5ccccc5Br)(C4)C2)C3)cc1 102957425 TXXMIJHJKZEOLY-RDNZODCXSA-N 424.382 6.234 0 40 HKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 216240620 JUOVKDXWUIZUEE-XJVZSZGSSA-N 423.984 6.604 0 40 HKAB CC[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(C)cc1C 218992091 QXPTWVXWFNMOOR-XMMPIXPASA-N 407.941 6.417 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccccc1 224087719 WSEOMJMSFJCUTN-UHFFFAOYSA-N 401.384 5.545 0 40 HKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 224185075 SKCNTPVNGITURY-VWLOTQADSA-N 420.597 5.021 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)c1 224242395 JTPBPJDQUFRQNE-DQEYMECFSA-N 424.573 5.666 0 40 HKAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1cc(C)cc(C)c1C 224280506 KCSRCTSLZSZAEV-UHFFFAOYSA-N 403.522 5.472 0 40 HKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 224585763 FDBUJRXOEXCFAF-XZOQPEGZSA-N 418.566 5.184 0 40 HKAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225269153 ZFVFOYGEJAMQSK-INIZCTEOSA-N 403.913 5.634 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)CCc2ccc(Cl)c(Cl)c2)c2ccccc2O1 225319747 UIHKOGYPZHCYPI-LJQANCHMSA-N 406.353 6.125 0 40 HKAB S=C(NCCSCc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1 225340189 VSJHOJSGYGJPSD-UHFFFAOYSA-N 405.803 5.867 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225847674 YLBHMOVXDXRITE-GAJHUEQPSA-N 407.551 5.355 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccccc2Br)cc1N1C[C@@H](C)C[C@H](C)C1 226330170 IKIVIPGBMQWIFN-KBPBESRZSA-N 416.363 5.074 0 40 HKAB CC(C)(C)NC(=O)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408977476 DPVGUWCCLCFBLV-UHFFFAOYSA-N 408.552 6.007 0 40 HKAB CC(C)Oc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 409193722 LQTULNANLMBXCM-LICLKQGHSA-N 408.306 6.022 0 40 HKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(F)cc3)n2C)cc1 409201163 WAOKXOLMOZSFPB-LCUIJRPUSA-N 402.494 5.609 0 40 HKAB COc1ccccc1[C@H]1CCCN(C(=O)c2cccc(-c3c(F)cccc3F)c2)CC1 1615058114 LMXHLYJWDBQEHN-SFHVURJKSA-N 421.487 6.050 0 40 HKAB CC(C)(OC(=O)c1ccc(Cl)cc1Cl)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 792618 TUEJOWGKTTYSKR-SFHVURJKSA-N 419.260 5.039 0 40 HKAB biogenic COc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2cccnc2)cc1 876565 JBTUEYSZJHWFNZ-UHFFFAOYSA-N 408.914 5.284 0 40 HKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1S(=O)(=O)c1ccc(F)cc1 1018068 UKCJPDSSFGHAPX-DEOSSOPVSA-N 409.526 5.509 0 40 HKAB COC(=O)c1cc(COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)co1 1275852 DAAPZVIJBTZKCH-UHFFFAOYSA-N 410.809 5.072 0 40 HKAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2ccco2)cc1 1341591 CFWRDQWYJLCFRD-HSZRJFAPSA-N 420.509 5.014 0 40 HKAB CCOc1ccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc23)cc1 2089036 BJTFRSKDXGYBDN-UHFFFAOYSA-N 416.908 6.515 0 40 HKAB Cc1cc(C)c2c(COc3ccc4oc(C)c(C(=O)OC(C)C)c4c3)cc(=O)oc2c1 2094616 PACFGWFFCIRIEL-UHFFFAOYSA-N 420.461 5.609 0 40 HKAB biogenic O=C(/C=C/c1cnc2ccccc2n1)OCC(=O)c1ccc(C2CCCCC2)cc1 2636310 PSGQIPUNJICNPZ-CCEZHUSRSA-N 400.478 5.117 0 40 HKAB CCCc1ccc(OCc2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)cc1 2931007 JPEWDZWTXBRHDX-UHFFFAOYSA-N 419.506 5.582 0 40 HKAB aggregator CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1[C@H]1C(=O)CCC(=O)[C@H]13 2944512 JPGGQHZUOUAFHK-DEGHYFJTSA-N 412.570 5.060 0 40 HKAB O=C(/C=C/c1ccc(SC(F)F)cc1)Nc1ccc(OCc2ccccc2)cc1 3190411 BEPKLXFFFFJCIT-OVCLIPMQSA-N 411.473 6.232 0 40 HKAB O=C(CSc1ncnc2ccccc12)N1c2ccccc2Sc2ccccc21 3253690 GEPDOIFHIKFPNJ-UHFFFAOYSA-N 401.516 5.551 0 40 HKAB CCCCOc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 3321098 MBZSMTVKNOYQFJ-UHFFFAOYSA-N 400.474 5.476 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 3382889 VQCNNQMVGCXJQV-XMMPIXPASA-N 414.892 6.680 0 40 HKAB Cc1ccccc1COc1cc(O)c2c(c1)C=CCCCC(=O)CCC[C@H](C)OC2=O 4073479 STMATFBGYDIEGY-IBGZPJMESA-N 422.521 5.761 0 40 HKAB biogenic CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(OC)cc2)CSC3)cc1 4077233 XVTLXSFJQRCUCV-UHFFFAOYSA-N 423.538 5.059 0 40 HKAB Oc1ccc2ccccc2c1C(c1ccccc1Cl)c1c(O)ccc2ccccc12 4276746 FAWXCJYVBLXPJG-UHFFFAOYSA-N 410.900 7.238 0 40 HKAB CC[C@@H]1[C@@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 4561735 RJDWQLQWIGSBFC-DVKBMCPXSA-N 400.522 5.924 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Br)cc2)N3)C1 4867067 XLYPUQFFIYCJCF-YVEFUNNKSA-N 419.388 5.516 0 40 HKAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1cccs1)C[C@@H](C(C)(C)C)CC3 5516175 AQWZRHZZEPIIAZ-AWEZNQCLSA-N 403.569 5.755 0 40 HKAB O=C(/C=C/c1cccs1)N(C1CC1)C1(C(=O)Nc2ccc(F)cc2)CCCCC1 6566369 MZTBSXRCVFGXLQ-OUKQBFOZSA-N 412.530 5.233 0 40 HKAB Cc1ccc(C)c(N(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c1 6844385 KUXFVAGRZBYVMF-UHFFFAOYSA-N 403.906 5.491 0 40 HKAB Clc1ccccc1CSC(c1ccccc1)(c1ccccc1)c1ccccc1 6927297 RDPMKSPMOWXZAN-UHFFFAOYSA-N 400.974 7.565 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1cccc(Cl)c1 7542798 KSYZYSMJHDUGRK-GOSISDBHSA-N 401.897 5.259 0 40 HKAB O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)c1cccc2ccccc12 8914100 AXSUAUIEXWDLSB-UHFFFAOYSA-N 414.317 5.841 0 40 HKAB C[C@H]1C[C@H](OC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)C(=O)O1 12595790 HDLDVWWHTXLDSY-GKVSMKOHSA-N 423.468 5.430 0 40 HKAB Cc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(Br)c1 12604031 GZSQFQHKNPKCFT-VYENPZKTSA-N 410.315 5.011 0 40 HKAB O=C(CCCSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1ccccc1 12801565 IZWIWVAPYCHDKO-UHFFFAOYSA-N 414.534 5.144 0 40 HKAB COCc1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1-c1ccc(OC)cc1 12862128 AAOOUKMBYBKOHS-UHFFFAOYSA-N 419.428 5.299 0 40 HKAB CC(=O)c1ccc(NC(=O)[C@@H](C)SCc2csc(-c3cccs3)n2)cc1 12919359 RPHKVCXAYXVUMM-CYBMUJFWSA-N 402.566 5.335 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 13135831 MKYIUZUTYXHLJB-OAHLLOKOSA-N 405.464 5.469 0 40 HKAB C[C@@H](NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1)c1cc2ccccc2o1 13164320 SZFCEKCSMKSNRQ-IQMFZBJNSA-N 422.575 5.381 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CN1C(=O)CC(c2ccccc2)=Nc2ccccc21 15770904 YKBGNRWPONULKX-UHFFFAOYSA-N 417.896 5.145 0 40 HKAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1cccc2ncccc12 16205154 YAVMXGGHYOWEPE-UHFFFAOYSA-N 409.898 5.105 0 40 HKAB CCCC(=O)Nc1cccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c1 16637212 WQBHCTYCRPUYAI-CMDGGOBGSA-N 407.297 5.393 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cccnc3Cl)c2)cc1 17087804 VMKAVJXPOHHNNN-UHFFFAOYSA-N 407.901 5.537 0 40 HKAB CCc1nn2c(C)c(C(=O)Nc3ccc(C)cc3C)nnc2c1-c1ccc(Cl)cc1 20633758 QCLNIWOFVKBAEN-UHFFFAOYSA-N 419.916 5.185 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 22531280 UGWNYGIWJDZJGW-FQEVSTJZSA-N 407.963 5.323 0 40 HKAB O=C(COc1cccc(Cl)c1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 27747571 XZDBZAKTHIZXGC-NRFANRHFSA-N 404.897 5.148 0 40 HKAB COc1ccc([C@@H]2CC(O)=Nc3nc(N)sc32)cc1OCc1ccc(Cl)cc1 32093495 LVJHGXNWQUZVPH-AWEZNQCLSA-N 415.902 5.090 0 40 HKAB CC(C)Cc1ccc([C@@H](NCc2nc3sc4c(c3c(=O)[nH]2)CCC4)C(C)C)cc1 32759974 LIEKIJJPFLTAPW-QFIPXVFZSA-N 409.599 5.159 0 40 HKAB FC(F)(F)c1cccc(-c2noc(CCCSc3nnc(-c4ccco4)o3)n2)c1 32874010 DQCRGVWFCCSZHY-UHFFFAOYSA-N 422.388 5.123 0 40 HKAB Cc1c(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cnn1-c1ccccc1 40017297 CCKSUEHQOJAPLK-DEOSSOPVSA-N 420.516 5.224 0 40 HKAB O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1ccc(F)cc1 46022333 LFRZBVULSDJJJQ-UHFFFAOYSA-N 401.532 5.121 0 40 HKAB CC(=O)N(C)C1CCC2(CC1)CN(C/C(C)=C\c1ccccc1)Cc1ccccc1O2 57775401 FUCAIUUHJNOCSC-FXBPSFAMSA-N 418.581 5.144 0 40 HKAB O=C(NC1CCCCC1)c1ccc2oc(-c3cc(Cl)c(Cl)c(Cl)c3)nc2c1 59843003 VFPDJSPVFAQUNW-UHFFFAOYSA-N 423.727 6.518 0 40 HKAB COc1ccc(-c2nn(CN(C3CC3)[C@H]3CCCc4ccccc43)c(=S)n2C)cc1 62581085 OPZVJZACBPMJSH-QFIPXVFZSA-N 420.582 5.126 0 40 HKAB FC(F)(F)Oc1ccc(NC(=S)Nc2ccc(Cl)cc2C(F)(F)F)cc1 71761672 VFFCIHJVFYBRAK-UHFFFAOYSA-N 414.758 6.066 0 40 HKAB O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccccc1Cl 96124431 QUFRFALSJMMUJF-UHFFFAOYSA-N 406.898 5.854 0 40 HKAB CCCc1ccc(-c2nc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3CC[C@H]4C3=C(C)C)sc2C)cc1 102637329 AXVSKANOWZGUET-QIJZPMMNSA-N 420.578 5.553 0 40 HKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 106960379 SPHRCPHDTSUDLT-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932391 OPSNLRNZVIABPI-LMAHGFGQSA-N 402.663 6.792 0 40 HKAB C[C@@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc2c(c1)CCC2 223154780 GMUAPFIJZVCXNB-ZDSQJECRSA-N 401.937 6.247 0 40 HKAB CC1(C)CCc2cc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)ccc2O1 223666733 VDPJXFHHTGWLOE-UHFFFAOYSA-N 409.507 5.383 0 40 HKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)ccc1OCC(C)C 225529962 VVOSQWAJMWNUCA-UHFFFAOYSA-N 420.380 6.787 0 40 HKAB COc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 227147590 QZYBZBJTRNZHPA-UHFFFAOYSA-N 421.678 5.206 0 40 HKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2cc(C(F)(F)F)ccc2C(F)(F)F)c1 228952265 QENKKDNEFJGEOE-UHFFFAOYSA-N 420.353 6.501 0 40 HKAB CN(Cc1ccccc1)[C@@H]1CCC[C@@H](Oc2cc(F)ccc2Oc2ccccc2)[C@@H]1O 257228630 FUPVCNIQLYAMBB-QIGHUWCUSA-N 421.512 5.411 0 40 HKAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cc3ccccc3[nH]2)o1 257235242 GWZZYMGLUINAPE-JOCHJYFZSA-N 415.493 5.123 0 40 HKAB COc1cccc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(Cl)cc3)O2)c1F 257242659 IDOPHGAASKVXTB-MZKRTTBSSA-N 419.924 5.611 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260816764 PTUWNONDOSOZEY-YKSBVNFPSA-N 404.595 5.254 0 40 HKAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1C 408554585 CMHKSBIQFOAWQR-UHFFFAOYSA-N 417.914 5.640 0 40 HKAB Cc1cccc(CSc2nnc(CCCOc3ccc(Cl)cc3Cl)o2)c1 409011468 FNVXXVLZUPBMEP-UHFFFAOYSA-N 409.338 5.989 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1C[C@H](C(C)C)O[C@H]2C(C)C 524734754 JZLCIEOXJDJGBL-WBVHZDCISA-N 405.516 5.065 0 40 HKAB Cc1ccc(-c2nnc(SCc3cccc(C(=O)Nc4ccccc4)c3)o2)cc1C 614380946 QSGMQOINVZYIMQ-UHFFFAOYSA-N 415.518 5.898 0 40 HKAB CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2Cl)c2ccccc2)C[C@@H]1C 854349 YGKFAOJJDSDQMV-XDHUDOTRSA-N 418.924 5.873 0 40 HKAB COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(Br)cc1Cl 1015522 LKZYOINRSIRYJV-UHFFFAOYSA-N 419.102 5.090 0 40 HKAB CC(=O)Oc1ccc2c(-c3ccccc3)c(Oc3ccc(Cl)cc3)c(=O)oc2c1 1647188 QNPBKJAMEXFECL-UHFFFAOYSA-N 406.821 5.831 0 40 HKAB CCCCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 1774634 NZVDUTAILINWNB-KRWDZBQOSA-N 410.466 5.313 0 40 HKAB CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)C(C)(C)C)c3ccccc3c21 1856451 JFBYKTATQVGZHD-UHFFFAOYSA-N 409.526 6.031 0 40 HKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O[C@H](C)C(=O)c3ccccc3)ccc12 1893452 RQWMMUHMMUVBLC-LJQANCHMSA-N 412.485 5.651 0 40 HKAB biogenic O=C(Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1)c1ccccc1 2427578 MBAGNNPGJBCYGS-UHFFFAOYSA-N 410.347 5.698 0 40 HKAB biogenic Cc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c(C)c1 2625577 BJYZPXBVGBMRMQ-UHFFFAOYSA-N 403.507 5.178 0 40 HKAB Cc1cccc(C)c1NC1=NC(=S)N(CC(=O)c2ccccc2)C12CCCCC2 3238070 VAJNAMVRJSFNNJ-UHFFFAOYSA-N 405.567 5.300 0 40 HKAB CCCc1ccc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)cc1 3671199 OWWPNUGUKSIVDT-HNNXBMFYSA-N 415.555 5.162 0 40 HKAB COc1cccc(C(=O)Oc2ccc3c(=O)c(Oc4cccc(C)c4)coc3c2)c1 4043294 USUHIACHOKCLSP-UHFFFAOYSA-N 402.402 5.122 0 40 HKAB biogenic C[C@H]1CCCC(=O)CCCCCc2cc(OCc3ccccc3)cc(O)c2C(=O)O1 4064556 CIYDTLLVDXPDQI-SFHVURJKSA-N 410.510 5.372 0 40 HKAB biogenic Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)cc1 4812149 BAFMBVRZTQQXIG-QFIPXVFZSA-N 410.926 5.188 0 40 HKAB CCCCc1nc2cc(NC(=O)C(C)(C)C)c(C)nc2n1Cc1cccc(Cl)c1 4848510 ILAWZQLAPJKKBF-UHFFFAOYSA-N 412.965 5.769 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccc(F)cc1 5990099 HWVRUPXGIUUCEZ-UHFFFAOYSA-N 401.466 5.320 0 40 HKAB O=C(NCCCCCCCCCCCCNC(=O)C1CCCCC1)C1CCCCC1 6261853 YPIFTYQVVBTTOH-UHFFFAOYSA-N 420.682 6.280 0 40 HKAB Cc1cc(C)c2oc(-c3c(Br)cc(Br)c(N)c3C)nc2c1 6275735 YPTNYDJNFCVYJV-UHFFFAOYSA-N 410.109 5.527 0 40 HKAB Cc1nc(NC(=O)CSc2ccc(Br)cc2)c(Cl)cc1Cl 6417916 QZDBSDBUBRYHLO-UHFFFAOYSA-N 406.132 5.190 0 40 HKAB CSc1ncc(C(=O)N(Cc2ccco2)Cc2cccs2)n1-c1ccccc1 6608203 LOXVUHQYLXVOAO-UHFFFAOYSA-N 409.536 5.091 0 40 HKAB C/C(=C\c1ccccc1)[C@]1(C(=O)Nc2ccccc2C)CC(=O)N1c1ccc(C)cc1 6755259 OKSPJTGSOAVIIP-WRINRREJSA-N 410.517 5.521 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2cccc(C)c2)cc1 6966137 LNDSMEYBONLOLC-NDEPHWFRSA-N 418.540 6.669 0 40 HKAB Nn1c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1=O 7078638 CZVGZQHDDZMDDW-UHFFFAOYSA-N 414.508 6.230 0 40 HKAB Cc1cc(C)c(C(=O)CSc2nc(C3CCCCC3)n(-c3ccccc3)n2)cc1C 7239075 FBCYLRAENGFNJG-UHFFFAOYSA-N 419.594 6.215 0 40 HKAB Cc1cc(C(=O)CSc2nnc(C3CC3)o2)c(C)n1CCc1ccc(Cl)cc1 7288967 BVDOASDLGHLQTB-UHFFFAOYSA-N 415.946 5.236 0 40 HKAB c1csc(Cc2nnc(SCc3cc(-c4cccs4)on3)n2C2CC2)c1 7855498 BOBFQMRAXDTAOC-UHFFFAOYSA-N 400.554 5.274 0 40 HKAB O=C(Nc1cccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c1)c1ccccc1Cl 7886295 CKVOXNLDVFYJNO-QFIPXVFZSA-N 417.896 5.321 0 40 HKAB Cc1occc1-c1nnc(SCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)o1 8312633 SHRUFIVIPCXRGT-HNNXBMFYSA-N 419.506 5.275 0 40 HKAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3cccc(-c4csc(C)n4)c3)c2C)cc1 8346176 BLGHEUZFUYNQIY-UHFFFAOYSA-N 416.550 5.541 0 40 HKAB c1ccc([C@]23O[C@](c4ccccc4)(c4ccccc42)[C@H]2c4cccc5cccc(c45)[C@@H]23)cc1 8386406 SAYUJFQTOWSBFN-RTNMLALUSA-N 422.527 7.252 0 40 HKAB Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)S2)c1 8410949 XEZUMYAPKWFMNU-NDENLUEZSA-N 408.910 6.299 0 40 HKAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c1 8499997 YWYSHQFUMDSJBF-HNNXBMFYSA-N 412.382 5.427 0 40 HKAB Clc1cccc(Cn2c(-c3cccnc3Cl)nc3cc(Cl)c(Cl)cc32)c1 8733548 VKCHHTNVGJEAHE-UHFFFAOYSA-N 423.130 6.760 0 40 HKAB FC(F)(F)c1cccc(-c2cc3ccccc3nc2Sc2ccccc2Cl)c1 8855492 JGTABFAGCUOGLY-UHFFFAOYSA-N 415.867 7.725 0 40 HKAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(-c4ccccc4)cc2)CSC3)cc1 9347259 RDZFTMFQMWCUTP-UHFFFAOYSA-N 411.530 5.847 0 40 HKAB O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1nc2ccccc2s1 9404035 NDNJZACZJMCGET-UHFFFAOYSA-N 418.956 5.199 0 40 HKAB O=S(=O)(Cc1ccccc1F)Nc1ccccc1SCc1ccc(Cl)cc1 10112692 DNTNBQMVVHESQU-UHFFFAOYSA-N 421.946 5.713 0 40 HKAB CC[C@@H](C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C)c1ccccc1 12796891 SWNZEALADKJMKZ-HXUWFJFHSA-N 418.562 5.387 0 40 HKAB Cn1c(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)nc2ccccc21 13027699 OTXMVEIMHIZQPP-UHFFFAOYSA-N 414.306 6.218 0 40 HKAB COc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(C)cc3)=NN21 13768318 RLMIZMYMVOPERF-URXFXBBRSA-N 404.897 5.899 0 40 HKAB Cc1cc(C)c(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c(C)c1 14649518 OVTAYEHPIIXYGA-UHFFFAOYSA-N 404.348 5.689 0 40 HKAB CCOC(=O)c1c(C)n(C2CCCCC2)c2ccc(OCC(=O)c3ccccc3)cc12 15019016 KZQSIXLSYHCVHW-UHFFFAOYSA-N 419.521 5.893 0 40 HKAB COC(=O)c1ccc(CSc2nc3ccccc3n2CCc2ccccc2)cc1 15911740 BJHQWZHHTBRYRQ-UHFFFAOYSA-N 402.519 5.358 0 40 HKAB C[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1Cl 16912549 AHVOFUIEKCCSJQ-KRWDZBQOSA-N 420.940 5.223 0 40 HKAB COc1ccc(CC(=O)N2CCC[C@H]2c2cc(-c3ccccc3)cc(C)n2)cc1F 19690557 PDCWDUGNKCFLJX-QHCPKHFHSA-N 404.485 5.111 0 40 HKAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 20140259 LIABTAUNVRYRPD-UHFFFAOYSA-N 409.747 5.569 0 40 HKAB CCN(C(=O)Nc1ccccc1C(F)(F)F)c1nc(-c2ccc(C)cc2)cs1 20178641 NOYNKWJMWQADOO-UHFFFAOYSA-N 405.445 6.196 0 40 HKAB CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccccc1C(F)(F)F)NC2 20507343 SLPJGMXSYHFUSY-QFIPXVFZSA-N 416.443 5.486 0 40 HKAB Cc1cc(C)cc(Oc2cc(SCC(=O)Nc3ccc(F)cc3Cl)ncn2)c1 21657607 MFWJFFKPOMAFJF-UHFFFAOYSA-N 417.893 5.409 0 40 HKAB CCn1cc(C(=O)Nc2cccc(SC)c2)c(=O)c2cc(C(F)(F)F)ccc21 22236853 WTTCGIRFIWIFIJ-UHFFFAOYSA-N 406.429 5.014 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@H](C)c1ccc(F)c(F)c1 23547868 CVVQSWCAEJJFIS-LLVKDONJSA-N 424.278 5.316 0 40 HKAB O=c1nc(CN(Cc2ccccc2)Cc2cccc3ccccc23)[nH]c2ccsc12 24528704 QQHPYZGSUQVJIK-UHFFFAOYSA-N 411.530 5.340 0 40 HKAB O=C(NC[C@H](c1cccs1)N1CCCCC1)c1sc2ccccc2c1Cl 27794975 SGTUMBVWBJLRJG-OAHLLOKOSA-N 404.988 5.573 0 40 HKAB Cc1nc(COc2ccc(C(C)(C)C)cc2)sc1C(=O)Nc1ccc(N(C)C)cc1 27912812 SQDPYKQQFAUBEC-UHFFFAOYSA-N 423.582 5.646 0 40 HKAB Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3cc(F)ccc3C)n2)cc1 32578864 KPVDEJNWWZOPJI-UHFFFAOYSA-N 417.440 5.324 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1C 32623027 VVGJJPOIDRPONT-UHFFFAOYSA-N 417.440 5.177 0 40 HKAB CCOc1ccc(-c2noc(CSc3ccc(-c4ccc(Cl)cc4)nn3)n2)cc1 33021967 PZFVOJQUPIXGLM-UHFFFAOYSA-N 424.913 5.538 0 40 HKAB COc1ccc(NC2=NC(=O)/C(=C\c3ccc(Cl)cc3Cl)S2)c(OC)c1 35043357 PDTDIPSHNFWLAP-FRKPEAEDSA-N 409.294 5.093 0 40 HKAB CCc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccc(F)cc1 40396764 RAMFASYYRUIAST-CKJXQJPGSA-N 418.516 5.410 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCCOc1ccc(F)cc1 43767680 GQARIFTZJFGUTK-UHFFFAOYSA-N 420.843 5.171 0 40 HKAB Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccc(F)cc2)n1 44086976 XKYSXUASWKZSSY-UHFFFAOYSA-N 424.526 5.174 0 40 HKAB COc1ccc(Nc2cc(C(=O)N3CCC[C@H](C)C3)nc3ccc(C)cc23)cc1OC 48987702 RPAWDARTVIAOGC-KRWDZBQOSA-N 419.525 5.176 0 40 HKAB Cc1ccc(Oc2cccc(C(=O)Nc3ccc(-c4cn5ccccc5n4)cc3)c2)nn1 56906668 MRSJHYUBIUELME-UHFFFAOYSA-N 421.460 5.144 0 40 HKAB Cc1ccc(O)c([C@H](C(=O)NCc2c(C)cc(Cl)cc2Cl)c2ccccc2)c1 59474616 FOTNEEVECMLTDF-JOCHJYFZSA-N 414.332 5.764 0 40 HKAB Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccc(Cl)cc2)n1 67190108 GMXOSJXBTJMXSM-ROMGYVFFSA-N 424.287 5.928 0 40 HKAB Cc1ccc(CSc2nc3ccccc3c(=O)n2CCc2ccccc2)cc1C 67259297 KJPFBQTWQLBFBK-UHFFFAOYSA-N 400.547 5.548 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 70637140 GGFTZKXXXJSMJA-UHFFFAOYSA-N 422.794 5.040 0 40 HKAB O=C(Nc1ccccc1)c1ccc(CN[C@@H](c2ccc(F)cc2)c2cccs2)cc1 72296317 RDIJMBPAZWYVLH-DEOSSOPVSA-N 416.521 6.019 0 40 HKAB O=C(NCc1ccc(Br)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 98073293 LCPYCPJCCXBFHK-UHFFFAOYSA-N 407.617 5.443 0 40 HKAB CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(F)cc1 100141936 ZOAOPHIRXMQHOL-QHCPKHFHSA-N 406.501 6.274 0 40 HKAB COc1ccc([C@H]2CC3=Nc4ccc(C)cc4N[C@H](c4cccs4)C3=C(O)C2)cc1 100427059 UMPKOJHRSSWJMD-SSOJOUAXSA-N 416.546 6.694 0 40 HKAB O=C1C[C@@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1Cl 101277145 URICGKLWTBXWCL-CYBMUJFWSA-N 404.080 5.044 0 40 HKAB COc1ccc(OC)c([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3onc(C)c32)c1 102729066 FCYXDLYOANEAGA-QMHKHESXSA-N 416.477 5.608 0 40 HKAB O=C1[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@]1(Cl)C(Cl)=C(Cl)C[C@]21Cl 104260155 JVMCOWBFDITPOH-AATLWQCWSA-N 421.749 5.275 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219386847 DAWCNCLFUJBDAC-UYAOXDASSA-N 403.975 5.938 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(Cc4ccco4)c3C)N21 222682851 DCJAQUZZJNRZNH-VOQZNFBZSA-N 406.555 5.121 0 40 HKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 223104851 PBHISEBDJUNMPD-RUZDIDTESA-N 408.561 5.184 0 40 HKAB CC[C@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C 225552342 XKCAHRRLWPHGIK-IBGZPJMESA-N 413.989 6.975 0 40 HKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225703967 SADJLLNGLYXYGC-SQJMNOBHSA-N 418.622 5.644 0 40 HKAB COc1ccc(-c2nnsc2C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 225762874 PAAZNSQORLFXSH-UHFFFAOYSA-N 415.518 5.056 0 40 HKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(OCc2ccccc2)cc1 225775749 FBIIAXDBESXRLH-IBGZPJMESA-N 401.506 5.550 0 40 HKAB CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccccc3Br)oc2c1 226283876 KAOXCTODWQTWFE-UHFFFAOYSA-N 413.193 5.173 0 40 HKAB O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1cccc(Cl)c1 408526966 IMEBUZKYTZSOLC-UHFFFAOYSA-N 413.717 5.163 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 408545839 OVQCDTZAIBLHDU-UHFFFAOYSA-N 422.550 5.173 0 40 HKAB COc1cccc(C(=S)NCc2ccccc2)c1OCc1c(F)cccc1Cl 408574649 MDRBLYHVEXJQSF-UHFFFAOYSA-N 415.917 5.532 0 40 HKAB O=C(Nc1cccc(NC(=O)c2cccc3c(Cl)cccc23)c1)c1ccccc1 408619349 BHDIQCQLXQHTGA-UHFFFAOYSA-N 400.865 5.998 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3C)n2)cc1 408698150 LMRWFLZQQWIDGF-UHFFFAOYSA-N 414.484 5.505 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2cccc(Cl)c2)nc1-c1cccc(Cl)c1 408699717 VYAFBWHLVHJOQS-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(F)cc3)n2)c1 408699966 XVSLSKCHDWZKBF-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB CCCCCCOc1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1OCC 408984040 HUFKKJOBLMHUTL-PGMHBOJBSA-N 407.510 5.697 0 40 HKAB Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)c1C 409116487 PLBRNAMKQMQLQM-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB O=C1N/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 409237066 VQZFHHCPVFJBRB-ZHZULCJRSA-N 420.921 5.584 0 40 HKAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccccc3Cl)[C@@](O)(C(F)(F)F)[C@H]2C1 409357238 PMFZZMFCAJYNOR-UHYGZKCKSA-N 416.871 5.255 0 40 HKAB CC(C)C(=O)N1CCCCCCCN(C(=O)CCc2ccccc2)Cc2ccccc21 643588442 XDCNJJVGCDHAPA-UHFFFAOYSA-N 420.597 5.601 0 40 HKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4Cl)c(N)c3cc2C1 661726 ARMLNAOBGBKYFG-SNVBAGLBSA-N 420.365 5.953 0 40 HKAB O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@@H]1c1nc2ccccc2[nH]1 841954 IIOHUFARLZTDDN-OAQYLSRUSA-N 400.869 5.208 0 40 HKAB Cc1ccc(NC(=S)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C2CCCC2)cc1 874467 XZKNSFJVXRULRL-UHFFFAOYSA-N 419.594 5.595 0 40 HKAB CC(C)C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1 1770960 PGHHDLOEAOBDHX-UHFFFAOYSA-N 410.775 5.694 0 40 HKAB CCCCCCOc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2C)cc1OC 1771561 LYOAURKKJCYKDE-JLHYYAGUSA-N 401.934 6.268 0 40 HKAB Oc1ccccc1-c1nc(Oc2cccc(Oc3ccccc3)c2)c2ccccc2n1 1876646 VZXRKEGPWZNCFJ-UHFFFAOYSA-N 406.441 6.587 0 40 HKAB CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1cccc(OC)c1 2202832 SKQULRSGODUXML-UHFFFAOYSA-N 424.570 5.002 0 40 HKAB CC1(C)Cc2c(sc3nc(SCc4ccc5ccccc5c4)nc(N)c23)CO1 2226543 KVZFNUSDJVECPB-UHFFFAOYSA-N 407.564 5.570 0 40 HKAB COc1ccccc1Oc1c(C)oc2cc(OCc3ccc(Cl)cc3)ccc2c1=O 2424438 ZFDUFTSSRJBVDV-UHFFFAOYSA-N 422.864 6.135 0 40 HKAB biogenic Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 2453762 GCNASDGHDDHXNA-UHFFFAOYSA-N 406.382 6.379 0 40 HKAB O=C(/C=C/c1ccccc1)NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2582334 IAXRUDFNYNKUBH-VOTSOKGWSA-N 418.362 5.251 0 40 HKAB Clc1ccc(NCc2nnc(SCc3ccccc3)n2-c2ccccc2)cc1 2738877 MWIGXJGOFYBLJD-UHFFFAOYSA-N 406.942 5.825 0 40 HKAB COC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc2c1CC[C@@H](C)C2 2745520 KELYSTMFLBNPEL-BMQCOBNYSA-N 411.567 5.609 0 40 HKAB CCc1ccc(-c2cc(C(=O)Nc3ccon3)c3cc(Br)ccc3n2)cc1 2767124 LMGMRNUVBBFRHS-UHFFFAOYSA-N 422.282 5.467 0 40 HKAB CCc1ccccc1NCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2887641 DHHLAQWZVHWYDL-UHFFFAOYSA-N 420.365 5.654 0 40 HKAB O=C(Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1)Nc1ccc(F)cc1 3047510 VBEFLCBIKHMHPT-UHFFFAOYSA-N 422.912 6.451 0 40 HKAB O=C(COC(=O)Cc1ccc(Cl)cc1Cl)Nc1c(Cl)cccc1Cl 3231783 YJVOSBYVIJWLGN-UHFFFAOYSA-N 407.080 5.025 0 40 HKAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1cccnc1Cl 3428514 XMCYUGFFJTZAOR-UHFFFAOYSA-N 412.927 5.138 0 40 HKAB CC(C)(C)c1ccc([C@@H]2SCC(=O)N2CCOCc2ccccc2Cl)cc1 3627593 OMZXBJBJVMZWGX-NRFANRHFSA-N 403.975 5.428 0 40 HKAB COc1cccc2c1O[C@H](c1ccc(F)cc1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 4281958 NOMTWUMCHPXIDQ-NFBKMPQASA-N 408.860 5.730 0 40 HKAB Cc1ccc(NC(=O)c2sc3nc(C45CC6CC(CC(C6)C4)C5)ccc3c2N)cc1 4457527 NXDYKXLSBIEGBM-UHFFFAOYSA-N 417.578 5.907 0 40 HKAB C[C@H]1CCc2c(sc(NC(=O)C(C)(C)C)c2C(=O)Nc2cccc3ccccc23)C1 4568501 JVUZAPSCQWZBID-HNNXBMFYSA-N 420.578 6.263 0 40 HKAB Cc1ccc(-c2csc(NC(=O)c3cccc(OCc4ccccc4)c3)n2)cc1 4703973 DMWRSARZEMAWMZ-UHFFFAOYSA-N 400.503 5.950 0 40 HKAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1sc2ccccc2c1Cl 4746886 XYJWPNSQTSRUIU-UHFFFAOYSA-N 407.322 5.297 0 40 HKAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1c(C)cc(C)cc1C)OCO3 4849556 LVTQUJHVFORVQG-UHFFFAOYSA-N 408.523 5.182 0 40 HKAB CC(C)(C)OC(=O)[C@H](c1ccccc1)[C@@H](Nc1ccccc1Cl)c1ccccc1 5379731 AHOMQLGDWNVYHX-PKTZIBPZSA-N 407.941 6.619 0 40 HKAB COCCSc1nnc2c3c4c(sc3nc(SC(C)C)n12)CCC[C@@H]4C 5555903 JPNADWMGIHVJNM-NSHDSACASA-N 408.618 5.018 0 40 HKAB C[C@H](NCc1ccc(OCc2ccccc2Cl)cc1)C12CC3CC(CC(C3)C1)C2 5662443 MMGWTERXRCJXRR-FJDLLSKQSA-N 410.001 6.614 0 40 HKAB COc1ccc(Cn2c(-c3ccccc3)cs/c2=N\c2ccc(Cl)cc2)cc1 5670549 KVSYBKMATXMANC-BZZOAKBMSA-N 406.938 6.159 0 40 HKAB CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1 6960929 CVYYISAZGMQYEE-UHFFFAOYSA-N 410.901 5.368 0 40 HKAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1CCc1ccccc1 7903041 XMSFNZAHHQHNMR-UHFFFAOYSA-N 420.582 5.126 0 40 HKAB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)C)cc1 8022520 XTMXJOIOGUCLQU-HSZRJFAPSA-N 421.537 5.203 0 40 HKAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc(Cl)cc3)o2)cc1 8394721 AJEYAMMRBUQDPG-CQSZACIVSA-N 415.946 5.600 0 40 HKAB Cc1nc(SCC(=O)N[C@@H](C)c2ccco2)c2cc(-c3ccccc3)sc2n1 8528299 RIMCIECOONIGBN-ZDUSSCGKSA-N 409.536 5.229 0 40 HKAB COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl 8534247 LCYIXSQDTNGZKB-INIZCTEOSA-N 416.348 6.432 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CN1c1ccccc1Cl 8754811 HKSWNXXAIFJTIM-KRWDZBQOSA-N 419.887 5.398 0 40 HKAB CC(=O)Nc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)c1 9223726 MGJOCPQUIJVNQN-UHFFFAOYSA-N 424.504 5.367 0 40 HKAB O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1ccc2ncsc2c1 9391419 ZVEGZJVCCZVHIB-UHFFFAOYSA-N 422.354 5.496 0 40 HKAB Oc1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)c(-c3ccccc3)[nH]2)cc1 9779931 YSCADDCFEMGGPZ-UHFFFAOYSA-N 418.521 7.484 0 40 HKAB CC(C)c1noc2ncc(C(=O)Nc3c(-c4ccc(F)cc4)nc4sccn34)cc12 10126960 MEEAYTUGHJIIJM-UHFFFAOYSA-N 421.457 5.114 0 40 HKAB CCc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2ccc(OC)c(OC)c2)CC3=O)cc1 10156849 PKEAIMISNXTNNL-GOSISDBHSA-N 417.509 5.021 0 40 HKAB Cc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 11614344 LALHEPIQCOFFLC-HXUWFJFHSA-N 420.852 5.109 0 40 HKAB CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 12196741 ZYEVJCTXJALKPZ-RCZVLFRGSA-N 418.468 5.475 0 40 HKAB O=C(CCS[C@H]1CCc2ccccc2NC1=O)Nc1cc(Cl)ccc1Cl 12390436 SEEFFJDPERGMBA-KRWDZBQOSA-N 409.338 5.009 0 40 HKAB O=C1c2ccccc2CC[C@H]1Sc1nnc(-c2cccs2)c(-c2cccs2)n1 13566465 VDDYCBFADMEXGA-QGZVFWFLSA-N 421.572 5.618 0 40 HKAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1-c1cccs1 14704911 IQZPOIYHAVHZMF-CYBMUJFWSA-N 402.313 5.584 0 40 HKAB C[C@@H](OC(=O)c1ccc(Cl)nc1)C(=O)Nc1ccccc1Sc1ccccc1 15706233 NEBIITIURRQNKR-CQSZACIVSA-N 412.898 5.070 0 40 HKAB COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)C4CCCCC4)cc3c2C)c1 15729501 BBBOVXCNWMEECB-UHFFFAOYSA-N 421.493 5.508 0 40 HKAB biogenic CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNCc1c[nH]c2ccccc12 16948577 WAWPYSHDONJSJL-SSBOKUKZSA-N 414.637 7.091 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc2c(c1)OCCO2 17090483 ZHLYXMGGKFXKQF-XBXARRHUSA-N 416.260 5.677 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 17092523 SSSUMPOTOMVPAX-UHFFFAOYSA-N 420.925 5.319 0 40 HKAB Cc1cc(OCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc(C)c1Cl 17093386 GIGQQVMAMGYHOZ-UHFFFAOYSA-N 422.937 6.251 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@H](C2)CC(c2csc(NC(=O)C(C)(C)C)n2)(C4)C3)cc1 17299488 CBJKCPXFFBIOPS-FLCJAFJVSA-N 408.611 6.226 0 40 HKAB CCCC[C@H](CC)CSCCOC(C)OCCSC[C@H](CC)CCCC 17300788 KTDUKFNZFGTHEB-FRIKZZABSA-N 406.742 7.265 0 40 HKAB COc1ccc([C@H](CNC(=O)Cc2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 18074521 QJWWUYUZXYYMGM-QHCPKHFHSA-N 423.516 5.149 0 40 HKAB COc1ccc([C@@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1OC 19932440 WIRBWALSYUFIOZ-GFCCVEGCSA-N 414.354 5.121 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 20571194 JOVVDVLWTPLGEZ-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB Clc1ccc(COc2ccc(CNCc3cccnc3)cc2Br)cc1 20876435 ATKSTJDEASRUTA-UHFFFAOYSA-N 417.734 5.366 0 40 HKAB CN1CCc2c(sc(NC(=O)Cc3ccccc3)c2-c2nc3ccccc3s2)C1 23153869 XNPOFKFBIHPBFP-UHFFFAOYSA-N 419.575 5.194 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1 27496433 FSYDRNFIXIJVMU-RQZCQDPDSA-N 423.321 5.498 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N2CCCCC2)cc1 27994043 ZIXAXSPDRNRZQH-JOCHJYFZSA-N 404.554 5.623 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 30873294 OXQAMUXSZJVIHM-HNNXBMFYSA-N 408.272 6.522 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc2c(Cl)c(Cl)ccc2s1 32127652 FYHKOTGGTUFZOL-QHHAFSJGSA-N 418.132 6.562 0 40 HKAB COc1ccc(C2=NN3[C@H](c4ccc(OC(F)F)cc4)Oc4ccccc4[C@H]3C2)cc1 36390091 ICHPWTKGSWWOBH-GGAORHGYSA-N 422.431 5.539 0 40 HKAB COc1cccc(-c2nc(N3CCC[C@@H](C)C3)c3oc(-c4ccccc4)nc3n2)c1 61997343 ARKJICINQOKHCM-MRXNPFEDSA-N 400.482 5.197 0 40 HKAB Cc1c(C(=O)Nc2ccc3c(c2)CCCN3C)sc2nc(C(F)(F)F)ccc12 64845011 BWDFBGKVIXLBCP-UHFFFAOYSA-N 405.445 5.258 0 40 HKAB COc1ccc2oc(C)c(C(=O)Nc3ccc(-n4nccc4C(F)(F)F)cc3)c2c1 65835418 BPXULNPSMGBXCZ-UHFFFAOYSA-N 415.371 5.207 0 40 HKAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3c(C)cccc3Cl)n2)cc1 67257720 AZHZMZBDMJCBFV-UHFFFAOYSA-N 413.930 5.153 0 40 HKAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc1F 67297075 CUDBNFJUCSDSMZ-LCUIJRPUSA-N 402.425 5.374 0 40 HKAB Cc1ccccc1[C@H]1CC(c2ccsc2)=NN1C(=O)c1ccc(Br)o1 77160633 YWKIBNRPNSWOHS-MRXNPFEDSA-N 415.312 5.404 0 40 HKAB C[C@@H]1[C@@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C 84153853 DIFWJJFSELKWGA-JGQMTTETSA-N 424.713 8.233 0 40 HKAB biogenic,in-vitro CCc1ccc(NC(=O)c2nnc(CN(C3CC3)[C@H]3CCc4ccccc43)s2)cc1 89286296 USTVRZOGMGJYAK-NRFANRHFSA-N 418.566 5.005 0 40 HKAB COC(=O)c1cc2ccccc2cc1NC(=O)c1sc(-c2ccsc2)nc1C 89562846 WOXAEHISMUFYER-UHFFFAOYSA-N 408.504 5.372 0 40 HKAB Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NCc1csc(C(C)(C)C)n1 95455321 XUFJLBAHDWLEKP-HXUWFJFHSA-N 409.603 5.005 0 40 HKAB O=C(c1cccc(Cl)c1)N1N=C(c2nc3ccccc3[nH]2)C[C@@H]1c1ccccc1 97165838 CGAMCWHXCVCYHC-OAQYLSRUSA-N 400.869 5.208 0 40 HKAB O=C(Nc1cccc(OC(F)(F)C(F)F)c1)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 100731538 VBEKPNJXBDYVGD-VCKYCXPWSA-N 405.819 5.440 0 40 HKAB Cc1cccc([C@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)c1 101221788 VXEUSHOSSVPFLF-RBBKRZOGSA-N 408.332 6.798 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2C(=O)OC)C1 102024654 VCKNNLPQBAONOU-PNBKFKSVSA-N 403.588 5.451 0 40 HKAB CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 106171446 TYEYNTNWDGGWTD-KHYOSLBOSA-N 418.459 5.143 0 40 HKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1C 107920335 QXLSEJXEYASQIO-UHFFFAOYSA-N 418.537 5.558 0 40 HKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 216338267 MEOFXBMQIWOOPL-JOCHJYFZSA-N 408.542 5.116 0 40 HKAB C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(C(C)(C)C)cc1 218854975 MDOPWDDVDYOHBY-CYBMUJFWSA-N 424.766 5.656 0 40 HKAB Cc1ccc(CCCNC(=O)COc2ccc3ccccc3c2Br)cc1 218905507 YPHHWZYPLXJPHZ-UHFFFAOYSA-N 412.327 5.039 0 40 HKAB O=C(NCCC1=CCCCC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 219959747 JNKOKJMYSSEDNY-UHFFFAOYSA-N 416.609 5.762 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1C1CCCCC1 223120106 LHIQZKVYHUVGAX-PKTZIBPZSA-N 408.615 5.694 0 40 HKAB COc1ccc(OCc2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2OC)cc1 224265309 FETHNFPBTKWKRO-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(N2CCCCC2)cc1 224321996 YGENBPUURXVGKB-UHFFFAOYSA-N 410.568 5.073 0 40 HKAB CCC1(CC)C[C@H](NC(=O)CCc2c(Cl)cccc2Cl)c2ccccc2O1 225342434 HIVQWHFITRFOCC-IBGZPJMESA-N 406.353 6.125 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(CSc2ccccc2)cc1 225369621 XTVBHRNXXHCCHY-UHFFFAOYSA-N 416.373 6.857 0 40 HKAB Cc1ccc(OCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225562170 NHGJHZBKQCNSIW-UHFFFAOYSA-N 408.592 5.653 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NC[C@@H](CC)Cc2ccccc2)cc1Cl 225632867 UALNSKOHQGOIPS-HNNXBMFYSA-N 404.963 5.072 0 40 HKAB COc1cc(C)c(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1C(C)C 225659805 RQJFQWVEYHEPRW-UHFFFAOYSA-N 400.950 5.051 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 225865752 WYZQOKOYCQRPEC-PKTZIBPZSA-N 423.597 6.340 0 40 HKAB COc1cc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(Cl)cc3)O2)ccc1F 257220133 DJRBWFXZPLAAFF-XJUOHMSHSA-N 419.924 5.611 0 40 HKAB O=C(c1nccc2ccccc12)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257271425 MYGWVDXDYCIRNO-QFIPXVFZSA-N 415.468 5.320 0 40 HKAB O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCCC1 408567090 PQQQTGCPVQPWBV-UHFFFAOYSA-N 416.974 5.228 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(I)cc1 408573221 NAKHYFLPRUQJAE-ACCUITESSA-N 415.230 5.203 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(Cl)c3)n2)c1 408697379 GVRDVHHGPUBBLT-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2cccc(Cl)c2)nc1-c1ccc(Cl)cc1 408698207 MDWXFVJQNAEWHA-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB COc1ccc(CSCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 408923326 BRBXEFPWNFGVRZ-UHFFFAOYSA-N 409.576 5.859 0 40 HKAB Fc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccc(Cl)cc2)cc1 409103092 AKIHVAXGEUKZQA-UHFFFAOYSA-N 413.880 6.158 0 40 HKAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)c1C 409362138 RZYMQJRPZSPTET-UDWIEESQSA-N 408.523 5.102 0 40 HKAB O=C(c1cccc(F)c1)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643578125 HKHYEQYBXWUGEN-UHFFFAOYSA-N 420.484 5.608 0 40 HKAB Cc1cccc2cc(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCC3)c(=O)[nH]c12 907815 YBSSPXHWYYVTMY-GOSISDBHSA-N 419.594 5.217 0 40 HKAB COc1ccc(CN(CC[C@H](Cc2ccccc2)c2ccc(OC)cc2)C(C)=O)cc1 1322535 HMYMAWNTJABJFM-RUZDIDTESA-N 417.549 5.469 0 40 HKAB biogenic COc1cc2c(cc1NC(=S)NC(=O)/C=C/c1ccc(F)cc1)oc1ccccc12 1442212 XOIGOXQPPSSMSJ-DHZHZOJOSA-N 420.465 5.260 0 40 HKAB O=C(Nc1cccc2cnccc12)c1ccc(C(=O)Nc2cccc3cnccc23)cc1 1703250 HGSHVEHTRPLTJR-UHFFFAOYSA-N 418.456 5.288 0 40 HKAB CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc(NC(C)=O)cc3)c2c1 1892581 PGQKFQNDTXLINP-ZZIIXHQDSA-N 412.489 5.862 0 40 HKAB Cc1c(OCc2cccc(Br)c2)ccc2c(-c3ccccc3)cc(=O)oc12 1904759 AMDUELFTUCNUGO-UHFFFAOYSA-N 421.290 6.110 0 40 HKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-c2ccccc2)cc1 2029718 CPQNUIAYJCZTAE-UHFFFAOYSA-N 406.510 6.883 0 40 HKAB Cc1ccc2nc(-c3cc(NC(=O)c4ccc(C)c5ccccc45)ccc3C)oc2c1 2050682 SYADDARFZWPJRW-UHFFFAOYSA-N 406.485 6.826 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(COc2ccc3c(c2)CCC3)cc1 2105162 XGUBRGFBVKYBNC-UHFFFAOYSA-N 411.423 6.025 0 40 HKAB O=P(Oc1ccccc1)(Oc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 2182067 ZBNGBSRKPXQTGI-UHFFFAOYSA-N 412.401 5.214 0 40 HKAB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4cccc(F)c4)c23)cc1 2382277 GXOPRVGETZJFJY-UHFFFAOYSA-N 409.511 5.537 0 40 HKAB CC(C)c1ccc(NC(=O)COC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 2617211 GNNRGALBBFGKTA-UHFFFAOYSA-N 421.468 5.324 0 40 HKAB COc1ccccc1-c1c(C)oc2cc(OCc3c(F)cccc3Cl)ccc2c1=O 2667621 YXDUBCXZVDCNHI-UHFFFAOYSA-N 424.855 6.149 0 40 HKAB biogenic CCOc1ccc2c(c1)c1nnc(-c3ccccc3)c-1cn2Cc1ccccc1OC 2691367 LLKWMDZDKZKNHF-UHFFFAOYSA-N 409.489 5.659 0 40 HKAB COCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 2714152 FUHHATSWCPWZSG-UHFFFAOYSA-N 412.415 5.165 0 40 HKAB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1C 2733301 VTAJCDMWTOGYIL-UHFFFAOYSA-N 421.371 7.747 0 40 HKAB FC(F)(F)c1cc(-c2cccs2)nc2cc(-c3nnc(-c4ccccc4)o3)nn12 2785685 YQZIQKJJZACCPG-UHFFFAOYSA-N 413.384 5.194 0 40 HKAB COc1cc(/C=C/C(=O)OCc2c(C)cc(C(C)(C)C)cc2C)cc(OC)c1OC 3300785 DBEAZKMCTJYYQG-MDZDMXLPSA-N 412.526 5.383 0 40 HKAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc(Cl)c(Cl)c1 3368699 UQLKHGFEIBHVHG-JOCHJYFZSA-N 424.283 6.256 0 40 HKAB Cc1ccn2c(Nc3ccccc3C)c(-c3cc(Br)ccc3F)nc2c1 4733736 JKVOCUVOFIXKNV-UHFFFAOYSA-N 410.290 6.263 0 40 HKAB CC(C)CN(C(=O)/C=C/c1ccccc1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880867 IYGMOARQQSEHMM-LFIBNONCSA-N 419.594 6.205 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc2c(Cl)cc(Cl)cn12 6099469 WHIKUKYXHTVTAO-JTQLQIEISA-N 405.310 5.189 0 40 HKAB CCOc1cccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)c1 6449752 BHNVIGHEDRBGST-KRWDZBQOSA-N 414.505 6.659 0 40 HKAB COc1c(C)c(C/C=C(/C)CC/C=C(/C)CCC=C(C)C)c(OC)c(OC)c1OC 6520349 XUKZWFXRDDPNAW-BJPYRWADSA-N 416.602 6.991 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)CCSc1ccc(Cl)cc1 6523073 CGVSDUKLIGPYSR-ATZDWAIDSA-N 412.979 5.369 0 40 HKAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3ccoc3C)n2C)c2ccccc2)cc1 7236398 YOXWHOZPHBPQDH-FQEVSTJZSA-N 418.522 5.164 0 40 HKAB O=C(Nc1ccc(F)cc1F)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 7604400 OOSPNGFWXVRXMO-UHFFFAOYSA-N 410.807 5.359 0 40 HKAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1cccc2ccccc12 8075516 RDUVXTXDUXLNSS-UHFFFAOYSA-N 400.507 5.029 0 40 HKAB O=C(COc1ccc(Cl)c2cccnc12)N[C@@H](c1ccccc1)c1cccs1 8196483 PPXRVKCTMXIRCY-NRFANRHFSA-N 408.910 5.234 0 40 HKAB CCn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1cccs1 8266229 KAOWBTZKYCQLTP-FQEVSTJZSA-N 405.548 5.743 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1c1ccccc1Cl 8754821 FWAFAQWRCMTROG-QGZVFWFLSA-N 419.887 5.398 0 40 HKAB Cc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)cc2C)cc1 9076222 XSQPENMMLVHTSN-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB CCSc1cccc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)c1 10748832 VIJNBNFJFXVADP-UHFFFAOYSA-N 410.520 5.929 0 40 HKAB Cc1nc(COc2ccc([C@@H]3Nc4ccccc4C(=O)N3C3CCCC3)cc2)cs1 12543341 OXVJYRKFKBVPOQ-HSZRJFAPSA-N 419.550 5.540 0 40 HKAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1sc2cc(F)ccc2c1Cl 12787219 HWKCXTOVHCPVGT-QGZVFWFLSA-N 402.922 5.261 0 40 HKAB COc1ccc(Cl)cc1-c1nn(CN(Cc2ccccc2F)C2CC2)c(=S)[nH]1 12924505 DPUVMRSCYUAZCC-UHFFFAOYSA-N 418.925 5.031 0 40 HKAB Cc1ccc2cc(CN(C(=O)c3ccc(Cl)cc3)c3ccccc3)c(=O)[nH]c2c1 13686215 HTZRNLJNCIQWKZ-UHFFFAOYSA-N 402.881 5.337 0 40 HKAB O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3ccccc3Br)nc2c1 13898889 HZMJLPFWQKDPFZ-JLHYYAGUSA-N 419.278 5.909 0 40 HKAB CCCCOc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 15016753 YJYUIXFKRBVHDI-YKSBVNFPSA-N 404.535 6.169 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)NCc1ccco1 17092609 XXAXGHNXIMJCRW-VMPITWQZSA-N 421.305 5.051 0 40 HKAB Clc1ccc2c(c1)nc(CN1CCN(c3ccccc3)CC1)n2Cc1ccccc1 17194264 AOSCOILAYZOIII-UHFFFAOYSA-N 416.956 5.060 0 40 HKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CN[C@H](C)c1ccc(F)cc1 17312223 WOUKEILCSRFFKH-CYBMUJFWSA-N 406.332 5.845 0 40 HKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1 19690568 YONAUNUDYUFGOF-SANMLTNESA-N 409.533 5.835 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Br)cc1F 19933073 YHPAYUUYRZBKCS-GOSISDBHSA-N 402.263 5.538 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1cc(C(=O)O)c(Cl)cc1Cl 20144210 IZSFEJFIWLUNMA-UHFFFAOYSA-N 409.052 5.016 0 40 HKAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1cc(C)ccc1C(C)C 21787542 LVLVDUDRGAHMHA-DEOSSOPVSA-N 419.569 5.621 0 40 HKAB COc1ccccc1N1C[C@@](O)(c2ccc(-c3ccccc3)cc2)[N+]2=C1CCCCC2 22408206 PCFNHUBZCPRJHC-HHHXNRCGSA-N 413.541 5.013 0 40 HKAB Cc1ccccc1C(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccccc1Cl 27587710 LKMOXHFHRUPHHJ-QGZVFWFLSA-N 403.913 5.537 0 40 HKAB CSc1ncc(Cl)c(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)n1 29573486 LGASTYIDWSHKLV-UHFFFAOYSA-N 412.927 5.381 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(CSc2ccccc2)cc1C 30849251 WNFNLUUBGGWHBT-UHFFFAOYSA-N 413.542 6.701 0 40 HKAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 31903381 GAHSKGQNNPHRIX-HSZRJFAPSA-N 405.542 5.096 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(c(-c3ccc(Cl)cc3)nc3c(-c4ccccc4)cnn23)C1 35323943 KHCFYZOYZOCMCJ-LJQANCHMSA-N 415.968 6.868 0 40 HKAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)Nc1cccc(Cl)c1Cl 35362468 RBMGFYNSOOHLNA-UHFFFAOYSA-N 422.259 5.022 0 40 HKAB O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(Cl)cc1Cl 35647482 ZIRBYOWSXHURST-AWNIVKPZSA-N 418.132 6.192 0 40 HKAB CCNCc1cc(OC)c(OCc2ccc(Cl)cc2Cl)cc1Br 36612635 SIYUSPLOXYTPBO-UHFFFAOYSA-N 419.146 5.453 0 40 HKAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1cccnc1 37868566 OHFRJZYCAMAOTN-MUAVYFROSA-N 409.470 5.287 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38849555 SNYOLBATJNGAGP-OAHLLOKOSA-N 411.760 5.806 0 40 HKAB O=C(COc1ccccc1-c1noc(-c2cccc(F)c2)n1)Nc1ccc(Cl)cc1 40488360 XINRJYPYXMJFHW-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB CC[C@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(C)cc1 44935803 GXBAMUMPAOMHGN-QFIPXVFZSA-N 402.941 5.267 0 40 HKAB Cc1cc(C)cc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)c1 46012037 JPLLAXUQKLDKGA-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccco2)c1 71844324 FFJNGOJEPWDFGU-YADHBBJMSA-N 402.494 5.330 0 40 HKAB CC(=O)N1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215716 AOXYQZMNBXGDEV-HXUWFJFHSA-N 401.551 5.229 0 40 HKAB Cc1ccc(-c2noc(CSc3nnc(-c4cccc5ccccc45)o3)n2)cc1 84174648 HKMPAMXMSDGMKY-UHFFFAOYSA-N 400.463 5.541 0 40 HKAB CC(=O)c1cccc(NC(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)c1 101095463 GLDFBHWJPHXIJE-UHFFFAOYSA-N 419.481 5.384 0 40 HKAB Cc1ccc(C2=C[C@H](c3ccc(Cl)cc3)n3nc(-c4ccc(C)cc4)nc3N2)cc1 101289024 TWJDPUXRXKXLFW-HSZRJFAPSA-N 412.924 6.271 0 40 HKAB aggregator Cc1ccc(COc2ccc(Cl)cc2CNc2ccc(Br)cc2)cc1 106982946 XBPSKMAXUDICPI-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccccc5C)nc4c3)o2)cc1C 107797973 RJAZTVIMNRFALG-UHFFFAOYSA-N 422.484 6.932 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 118933477 NWQBDOPDVUJEGJ-VWXNOHHNSA-N 404.679 6.439 0 40 HKAB Cc1ccccc1[C@@H](NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1)c1ccccc1 216232392 OEBLEUHGAQJGLD-ZBLYBZFDSA-N 412.577 5.746 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1 222688685 YHEARNOAKUGVDM-UHFFFAOYSA-N 405.947 5.808 0 40 HKAB COc1cc(C)c([C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1C(C)C 223305494 YOETVBQQBDCNMV-ZDUSSCGKSA-N 416.370 5.473 0 40 HKAB CCCCOCc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1OCC 224724408 QZUSAACGOPZJKX-UHFFFAOYSA-N 410.341 5.639 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccccc1CN1CCCCC1 224850182 DJOLVUMMFGXONW-HSZRJFAPSA-N 414.977 5.108 0 40 HKAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)/C(=C/c1ccco1)c1ccccc1 225290985 FVRTWEUKOOINBW-QGOAFFKASA-N 407.882 5.631 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225679328 CDRPHKKRADYVLU-IBGZPJMESA-N 412.555 5.069 0 40 HKAB Cc1cccc([C@@H](NC(=S)Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1 225700491 HRIHSLJGXRUHFA-DEOSSOPVSA-N 415.562 5.198 0 40 HKAB COC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1OC(C)C 225762235 XMCPLQKVPLMEAG-UHFFFAOYSA-N 413.489 5.240 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2ccccc12 225779317 AOLWUOLIWYNTJD-UHFFFAOYSA-N 409.913 5.579 0 40 HKAB CSc1ccccc1NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225833364 LKLSVZSONNHIPD-UHFFFAOYSA-N 415.518 5.697 0 40 HKAB CCCCOc1ccc(NC(=O)C2(OCCC)CCCCC2)cc1C(=O)OCC 225851527 AMWZONTZVCJMRH-UHFFFAOYSA-N 405.535 5.110 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC(=O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C 253503920 AYXDXVGGAIDTQI-AXOQWHMGSA-N 402.663 6.792 0 40 HKAB biogenic,in-vitro O[C@@H]1[C@H](NCc2ccccc2)CCC[C@H]1Oc1cc(F)ccc1Oc1ccccc1 257306822 SWCLFTSJKWEOSL-GZGNHOFSSA-N 407.485 5.069 0 40 HKAB O=C(NCCC1CCCC1)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 257307309 SYDDBTUVEZGYIG-UHFFFAOYSA-N 409.545 5.529 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc(Cl)c(C)c3)N21 260772039 MFTIKJBZPYVITI-HVETUWLQSA-N 422.985 5.814 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 408699834 WLOJCXZBCAUOSX-UHFFFAOYSA-N 409.276 5.493 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1cccc(F)c1 408829388 FRYBOJKEIJIWCC-UHFFFAOYSA-N 408.885 6.522 0 40 HKAB COc1cccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c1OC(C)C 409011007 FHIAPAVGQXUADI-WQRHYEAKSA-N 417.914 5.372 0 40 HKAB CC(C)C(=O)N1CCCCCCCN(Cc2ccccc2)Cc2cc(C(=O)O)ccc21 643582972 AWJXBKKVUCGDDP-UHFFFAOYSA-N 422.569 5.340 0 40 HKAB CC(C)=CCc1cc(Oc2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)ccc1O 1077991932 SLJQOYUZQWTWBZ-UHFFFAOYSA-N 422.477 5.720 0 40 HKAB biogenic COC(=O)c1c(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)sc(C)c1C 670717 MRLWSSFOGGIOCD-UHFFFAOYSA-N 420.490 5.520 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c1 858101 QCYMNUWICDVLQN-RUZDIDTESA-N 414.549 5.215 0 40 HKAB O=C(Nc1cccn2c(-c3ccc(Cl)cc3)cnc12)c1ccc(Cl)cc1Cl 1384170 NZYZDSYJQZWGLB-UHFFFAOYSA-N 416.695 6.214 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccc(Br)c2)sc2c1CCCCC2 2060353 RVQJGYOJYRUELJ-UHFFFAOYSA-N 422.344 5.209 0 40 HKAB Brc1ccc2[nH]c3c(N4CCC(Cc5ccccc5)CC4)ncnc3c2c1 2375562 NNYDHTJDFDJTMJ-UHFFFAOYSA-N 421.342 5.333 0 40 HKAB COc1ccc(CNCC[C@@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1 2454008 CLZPICLJLJUYME-SANMLTNESA-N 407.529 5.933 0 40 HKAB CCOc1ccc(-c2nc(NC(=O)/C=C/c3cc(OC)ccc3OC)sc2C)cc1 2622323 PXKCPSLSKXCHFB-MDWZMJQESA-N 424.522 5.186 0 40 HKAB O=C(CSc1cc(Cl)ccc1Cl)Nc1c(F)c(F)c(F)c(F)c1F 2660325 SKDFOELLMJAMNY-UHFFFAOYSA-N 402.171 5.420 0 40 HKAB Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4)cc2-3)OCCO5)cc1C 2690093 AMPOXBPXJLMKCH-UHFFFAOYSA-N 421.500 5.639 0 40 HKAB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3ccc(Cl)cc3Cl)n2)cc1C 2733303 TYAPRNDDLYTRIP-UHFFFAOYSA-N 421.371 7.747 0 40 HKAB Cc1ccc(-c2nn(-c3cccc(Cl)c3)c(-c3ccc(C)c(C)c3)c2C)cc1C 2733526 FZYNJWRPPXPPRK-UHFFFAOYSA-N 400.953 7.402 0 40 HKAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccc(C(F)(F)F)cc1 3231124 NKODNIBUUBABGY-UHFFFAOYSA-N 417.239 6.388 0 40 HKAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCc3ccc(Br)cc3)c2C1 3295107 XTMHWKITINIBOW-AWEZNQCLSA-N 410.311 5.479 0 40 HKAB CN(C)[C@@H](CNC(=O)CCN1c2ccccc2Sc2ccccc21)c1ccccc1 3304423 MJSFIRRVPYLULN-QFIPXVFZSA-N 417.578 5.099 0 40 HKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1c(Cl)cccc1Cl 3432293 XFEGJHKPOQIPFJ-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(Oc2ccccc2)c1 4033908 ANDSJNBFXHAKFD-UHFFFAOYSA-N 405.457 6.275 0 40 HKAB Cc1ccc(Cn2cc(SCC(=O)Nc3cc(C)cc(C)c3)c3ccccc32)cc1 4059725 YOOOVKHEMDDJTR-UHFFFAOYSA-N 414.574 6.346 0 40 HKAB CC(C)Cc1ccc(-c2cc(C(=O)N[C@@H]3CCCC[C@@H]3C)c3ccccc3n2)cc1 4651281 FANVPZURCOPVCG-YADARESESA-N 400.566 6.409 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)CCC(=O)CC[C@]12C 5029454 FREFZRPOTWOACU-KBBQVJQESA-N 400.691 8.067 0 40 HKAB COc1cccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)c1OC 5169352 FEPTYJLZIWWFII-UHFFFAOYSA-N 409.294 5.386 0 40 HKAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1 6215487 UJLSFSMZOOSQLA-IBGZPJMESA-N 400.478 5.033 0 40 HKAB COC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)c1cccc(OC(C)C)c1 6788026 NHBMYMKDHJVTJO-UHFFFAOYSA-N 423.534 5.858 0 40 HKAB Cc1ccc(C(=O)c2cc(C(=O)OCc3ccccc3Cl)c3ccccn23)c(C)c1 6817117 XAYWRCSSQZGSKO-UHFFFAOYSA-N 417.892 5.798 0 40 HKAB COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 6966783 ZDGAJYGULGNYEV-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB O=C(CCCSc1nnc(C2CC2)n1C1CC1)c1ccc(Br)cc1 7851244 DSPIUCHYVRSXID-UHFFFAOYSA-N 406.349 5.008 0 40 HKAB C[C@@H]1CCN(C(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)c2ccccc2S1 7985953 XGTNCRXWEGUSKF-VQIMIIECSA-N 423.607 5.351 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1cccc(C(F)(F)F)c1 8130971 STLURZJEDNHCDT-LBPRGKRZSA-N 410.486 5.627 0 40 HKAB O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CC=C(c4ccccc4)CC3)ccc21 8312480 UBRWEXHHZLMQKF-VWLOTQADSA-N 409.485 5.070 0 40 HKAB Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2ccco2)C1 8624120 MXDUVKGZPJDSIY-UYAOXDASSA-N 403.526 5.222 0 40 HKAB biogenic,in-vitro COc1cc(CN[C@@H](C)c2ccncc2)ccc1OCCOc1ccccc1Cl 8707023 CQZCIZAIKFZXBN-KRWDZBQOSA-N 412.917 5.052 0 40 HKAB COC(=O)c1sc(NC(=O)c2sc3cccc(Cl)c3c2Cl)nc1C 8769234 MRNNSMZNLASOII-UHFFFAOYSA-N 401.296 5.012 0 40 HKAB C[C@@H]1CCCCN1C(=O)c1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1 8782972 DHOIDVYBPKFPJZ-LJQANCHMSA-N 400.522 5.539 0 40 HKAB C[C@@H](NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1cccs1 8895539 CHALYDZSOXYPMH-MRXNPFEDSA-N 420.559 6.040 0 40 HKAB CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O 9295672 XUEUNOBEQQOKOE-BKUYFWCQSA-N 423.921 6.128 0 40 HKAB Cc1cc(C)c2c(CC(=O)Nc3c(C(=O)c4ccccc4)oc4ccccc34)coc2c1 9430879 ACAFTQDADQTTFK-UHFFFAOYSA-N 423.468 6.208 0 40 HKAB O=C(/C=C/c1ccc(Br)o1)N1CCC[C@@H]1c1nc2ccccc2s1 9460374 BSBDYDZGZYPUQQ-QSYFUGGGSA-N 403.301 5.029 0 40 HKAB COc1ccc(-n2ncc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc32)cc1 9475187 YCVOSHLGJVHXOY-UHFFFAOYSA-N 423.476 5.147 0 40 HKAB COc1ccc(CCn2c(-c3ccccc3)nc(=S)c3c2CCCC3)cc1OC 9489499 ACZJKOSDBSNJQC-UHFFFAOYSA-N 406.551 5.418 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3ccc(C)o3)C[C@@H]21 12196227 NGTNILZZVZVIOU-WMZHIEFXSA-N 408.885 5.882 0 40 HKAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)cc1 12617401 RFMLQDVXJYKEOS-UHFFFAOYSA-N 418.522 5.504 0 40 HKAB C[C@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccc(Cl)cc1 12791819 PRWJZEDOLPBEPI-ZDUSSCGKSA-N 421.349 5.449 0 40 HKAB COc1cc(CN(C)C(=O)c2sc(-c3ccsc3)nc2C)ccc1OC(F)F 12921437 WARUALXNUSMQSL-UHFFFAOYSA-N 424.494 5.062 0 40 HKAB CCSc1nnc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)s1 13140989 HHHXBKYQXFHYOK-UHFFFAOYSA-N 421.551 5.064 0 40 HKAB Cc1ccccc1Cn1nc(C)c(NC(=O)Nc2ccc(Cl)cc2Cl)c1C 13331424 ONCADOKCNMTJKN-UHFFFAOYSA-N 403.313 5.807 0 40 HKAB Cc1cccc(OCCSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c1 15832798 JAYRNUDASKITBH-UHFFFAOYSA-N 420.559 6.028 0 40 HKAB Fc1ccccc1COc1ccc(Cl)cc1CNCCc1c[nH]c2ccccc12 16449991 STGJJJSEXNMGTE-UHFFFAOYSA-N 408.904 5.872 0 40 HKAB Cc1cc(C)c2nc(NC(=S)NC(=O)/C=C/c3ccc(C(C)C)cc3)sc2c1 17088343 IUXNORBFBRYYJY-JXMROGBWSA-N 409.580 5.563 0 40 HKAB Cc1nc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccccc2)no1 27444617 XNFSAPHFDYKTKO-UHFFFAOYSA-N 419.554 5.275 0 40 HKAB Oc1nc(SCc2ccc(Cl)c(Cl)c2)nnc1Cc1ccccc1Cl 27526184 VKPCZTRNSRWFLD-UHFFFAOYSA-N 412.729 5.421 0 40 HKAB COc1ccc(N(Cc2cccs2)C(=O)c2oc3cc(C)c(C)cc3c2C)cc1 28287040 ZXWADZZWLAOWBQ-UHFFFAOYSA-N 405.519 6.275 0 40 HKAB CCCCc1ccc2nc(NC(=O)c3cc(Br)ccc3Cl)sc2c1 32119097 DPHSKHFMEFLCMH-UHFFFAOYSA-N 423.763 6.307 0 40 HKAB Cc1noc(CSc2ccccc2C(=O)Nc2ccc(Nc3ccccc3)cc2)n1 32754791 BTTVFXCBKODQFM-UHFFFAOYSA-N 416.506 5.666 0 40 HKAB C[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)N(c1nccs1)C1CCCCC1 32879968 NQEWARLLEMJVCD-CQSZACIVSA-N 420.604 5.420 0 40 HKAB CC(C)c1ccc(NC(=O)C2CCN(c3cc(Oc4ccccc4)ncn3)CC2)cc1 33311894 NDUIVWCLXWCBQU-UHFFFAOYSA-N 416.525 5.247 0 40 HKAB O=C(NCCSCc1ccco1)c1ccccc1-c1ncc(-c2ccccc2F)o1 40052321 KQGMRLULXPQDTM-UHFFFAOYSA-N 422.481 5.404 0 40 HKAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H](C)c1cccc(F)c1 40144965 IZBBZXKOHHYSSQ-CYBMUJFWSA-N 416.905 5.592 0 40 HKAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 57315948 YJGYKENDTGOLJE-SDNWHVSQSA-N 408.885 5.991 0 40 HKAB Cc1cccc(CSc2nc3ccccc3c(=O)n2-c2ccc(N(C)C)cc2)c1 67259053 OXVBRDWPOWAPAZ-UHFFFAOYSA-N 401.535 5.052 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)c(C)c2)cc1 67297769 FZRUDDSBFNRAPF-PNHLSOANSA-N 418.880 5.888 0 40 HKAB CCn1c2ccccc2c2cc(NC(=S)Nc3ccc(OC)c(Cl)c3)ccc21 71761830 FDEZBQCANJWJET-UHFFFAOYSA-N 409.942 6.285 0 40 HKAB O=C(CCCc1ccccc1)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 72359168 CJBPAGZCOLKEFZ-OAQYLSRUSA-N 419.956 5.526 0 40 HKAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1c1ccccc1Br 102726579 LWMBJUUXUFSXGQ-UHFFFAOYSA-N 412.312 5.339 0 40 HKAB CCn1c(-c2cc(C)ccc2C)cs/c1=N/c1ccc(Oc2ccccc2)cc1 103459522 XDVVSZOQXCBRCL-OCEACIFDSA-N 400.547 6.878 0 40 HKAB Clc1ccc(/N=c2/c(=N/c3ccc(Cl)cc3)c3cccc4cccc2c43)cc1 103658097 IYZLYUBKTGIZNQ-LMCGJEQXSA-N 401.296 6.640 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914697 LNGLEOIUQBVRRY-JUWHNOKGSA-N 400.647 6.856 0 40 HKAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](C5(C)OCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 118914916 GFXBFUNNPOLAPC-ZNLQTOPESA-N 404.591 5.340 0 40 HKAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 222564572 PIXKHMYUWUHNPK-RVHYNSKXSA-N 423.626 5.972 0 40 HKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCCC2)c1C 222960789 TXKIQHZCDCFOLO-PKTZIBPZSA-N 410.631 5.778 0 40 HKAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 223872109 IZGJTVRBMALNHQ-PKTZIBPZSA-N 413.502 5.224 0 40 HKAB COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccc(C(C)(C)C)cc1 224187860 MZFGBPZBALACPT-UHFFFAOYSA-N 423.597 6.414 0 40 HKAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(CN2CCc3ccccc32)cc1 224337546 IFFCLSWBHWNGMR-UHFFFAOYSA-N 419.528 5.487 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1cccc(C)c1 224384848 GYXLGHSOYUGQHK-UHFFFAOYSA-N 413.876 6.018 0 40 HKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)c1 224528195 JHJDXELVXVNGRC-GOTSBHOMSA-N 420.582 5.267 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1CSc1ccccc1 224656715 DQFIOKZXFHNMAA-UHFFFAOYSA-N 409.576 6.352 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccc4c(c3)CCCC4)ccc21 224694891 MTFXLHRHOIGSPI-SFHVURJKSA-N 412.533 6.099 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccccc1CN1CCCCC1 224806040 LRBOHFHJFVFKDG-PKNBQFBNSA-N 403.353 5.309 0 40 HKAB CC(C)OCCCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225375807 REBYKJZBSLKHBD-UHFFFAOYSA-N 412.599 5.317 0 40 HKAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225739437 OIWNDTWEBBBVDP-GBXCKJPGSA-N 404.595 5.254 0 40 HKAB CC(C)(C)c1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)cc1 226342738 DHUIVCDYQWURAZ-UHFFFAOYSA-N 408.137 6.052 0 40 HKAB C[C@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1ccccc1)C(=O)O 263583650 RCOKTPHMJJQWAQ-LLVKDONJSA-N 419.321 5.476 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(C)c3C)n2)cc1 408699490 UMFKTKTYKBDRKL-UHFFFAOYSA-N 410.521 5.674 0 40 HKAB CC[C@H](CC(=O)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1)c1ccc(OC)cc1 507282683 PIQLJHXCEBWIMR-DVECYGJZSA-N 417.553 5.723 0 40 HKAB Oc1cc2c(cc1-c1c(-c3cc4ccccc4o3)oc3cc4c(cc13)OCO4)OCO2 524729303 NHJYHEPPENQBKH-UHFFFAOYSA-N 414.369 5.676 0 40 HKAB biogenic COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2Cl)cc(OC)c1OC 645841 RLGHQKWZPQUGQE-QFIPXVFZSA-N 424.884 5.137 0 40 HKAB CCOc1ccc2nc3sc(C(=O)Nc4ccc(C)c(Cl)c4)c(N)c3cc2c1 907408 VKHPKCVMFUDISG-UHFFFAOYSA-N 411.914 5.645 0 40 HKAB COc1ccc(C(=O)Nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)cc1 1006625 ZZNRHQVLKHRTIJ-UHFFFAOYSA-N 408.885 5.470 0 40 HKAB Cc1nc2sc3c(SCCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 1261575 JIRPJPIVMKHQRV-UHFFFAOYSA-N 421.591 5.734 0 40 HKAB Cc1nc(SCC(=O)c2ccc(Cl)cc2)c2c3c(sc2n1)C[C@H](C)CC3 1375702 KXDXJTBVOJAWLE-LLVKDONJSA-N 402.972 5.753 0 40 HKAB COc1c2c(cc3c1[C@H]1Oc4c(ccc(O)c4CC=C(C)C)[C@@H]1CO3)OC(C)(C)C=C2 1768131 FUNJPZFUOULIEZ-BVZFJXPGSA-N 420.505 5.703 0 40 HKAB biogenic CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CCc1ccccc1 1935371 GGTIHXWUPADBAV-UHFFFAOYSA-N 413.926 5.817 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1Br 2135337 BPDJPIXYBKAYEE-UHFFFAOYSA-N 401.131 6.306 0 40 HKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2-c2ccccc2)cc1 2445999 OIAAFEBUKFYZGJ-UHFFFAOYSA-N 418.497 5.113 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(-c2ccco2)o1)c1ccccc1 2652434 WZSBQDIMEIJHOE-IBGZPJMESA-N 421.478 5.119 0 40 HKAB CCCCCCc1ccc(N[C@@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1 3176752 UFINLVYCVVBUEN-SFHVURJKSA-N 407.813 6.080 0 40 HKAB Cc1ncsc1C(=O)OCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 4107525 YCHOCULWBZNLFI-UHFFFAOYSA-N 405.517 6.076 0 40 HKAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1cc(Cl)sc1Cl 4134652 CIDMCTBMGPBLKH-UHFFFAOYSA-N 405.331 6.169 0 40 HKAB Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)nnn1-c1cccc(Cl)c1 4316314 WCECFBLURIFBKP-UHFFFAOYSA-N 404.857 5.274 0 40 HKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(N4CCCCC4)cc3)o2)cc1C 4507821 UTJULZWBCJIQBL-UHFFFAOYSA-N 422.554 5.075 0 40 HKAB CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1 4672618 TVCFZFCPGKFBDO-KRWDZBQOSA-N 400.478 6.026 0 40 HKAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2C)n2c(nc3ccccc32)N1 4742061 AINJVOLWYOSZFO-HSZRJFAPSA-N 412.468 5.411 0 40 HKAB O=c1oc2ccccc2c2c1C(c1ccccc1F)c1c(c3ccccc3oc1=O)O2 4834379 KFRWNHNPWHGMNU-UHFFFAOYSA-N 412.372 5.324 0 40 HKAB Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccnc2)N(c2ccc(Cl)cc2)C3=O)cc1 4914204 TZHFRWYIJQYPOW-JOCHJYFZSA-N 400.869 5.183 0 40 HKAB Cc1ccc(C)c(NC(=O)NC[C@@H]2C[C@@H](NC(=O)Nc3cc(C)ccc3C)C2(C)C)c1 5542478 HVEOMALVDLXSSR-SIKLNZKXSA-N 422.573 5.278 0 40 HKAB CCCCOc1ccc(C2=NN=C(c3cccnc3)Nc3ccc(C(C)C)cc32)cc1 5978393 DKOJWZBQTYBDMK-UHFFFAOYSA-N 412.537 6.009 0 40 HKAB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)C1CCCCC1 6402016 AVFOCIOVQJPZJP-UHFFFAOYSA-N 417.527 5.128 0 40 HKAB Cc1ccc(C2=N/C(=C/c3ccccc3OCc3ccccc3)C(=O)O2)cc1Cl 6478110 SSIKYCKSXDWRDY-KGENOOAVSA-N 403.865 5.572 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1Oc1ccccc1 6496046 JFGRPIOYROJMCU-UHFFFAOYSA-N 406.441 6.539 0 40 HKAB O=C(c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1)N1CCOCC1 6616245 ACMXBKNVMHWNFN-UHFFFAOYSA-N 408.501 5.284 0 40 HKAB COc1ccc(/N=c2\cc(-c3ccc(OC)cc3)oc3ccc(OC(C)C)cc23)cc1 6670161 AEVAUYHWUWRDQP-SOYKGTTHSA-N 415.489 6.137 0 40 HKAB CCOc1c(Cl)cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1OC 7007553 AQLIRKSETHAALC-MDWZMJQESA-N 403.887 5.372 0 40 HKAB CCCCCCNCc1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 7260979 ILEYCKYYXNXVPN-UHFFFAOYSA-N 410.385 6.641 0 40 HKAB O=C(CSc1ncnc2c1oc1ccccc12)OCc1c(F)cccc1Cl 8038720 NWYRTQWTTKADLO-UHFFFAOYSA-N 402.834 5.004 0 40 HKAB CCOc1cc(CNC[C@@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 8254028 QBWCPWSPAGMUFB-GFCCVEGCSA-N 418.748 5.095 0 40 HKAB O=C(NC1CCCCC1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 8476802 AUBLPXVBXQNRFQ-UHFFFAOYSA-N 415.324 5.304 0 40 HKAB Oc1cc(OCc2cccc(Cl)c2)ccc1-c1n[nH]cc1-c1ccc(Cl)cc1 8739199 ZSNULZNMPUZKRZ-UHFFFAOYSA-N 411.288 6.335 0 40 HKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccccc2F)n(CC(C)C)c1C 9060135 VYOXWZYDANQXSY-UHFFFAOYSA-N 404.489 5.696 0 40 HKAB COC(=O)c1ccc(CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 12139021 LNJDUKVVHUPGCW-UHFFFAOYSA-N 404.413 5.241 0 40 HKAB O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccccc1-c1cccs1 12538029 IUSIYNYAALVAMC-UHFFFAOYSA-N 402.475 5.620 0 40 HKAB CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)C[C@H]1C=CCC1 12784471 QPKJKUVWSFBFQP-IBGZPJMESA-N 419.956 5.567 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1 12857291 RZVWYOYBMNEBDB-UHFFFAOYSA-N 408.542 5.230 0 40 HKAB Cc1cc(C)c(NC(=O)CNC(=O)c2sc3cccc(C)c3c2Cl)c(C)c1 13003840 YGEYAGKRSWDEPY-UHFFFAOYSA-N 400.931 5.157 0 40 HKAB c1ccc(-c2ccc(O[C@@H]3OCCO[C@@H]3Oc3ccc(-c4ccccc4)cc3)cc2)cc1 13576293 YLJPPQWLDXIAMQ-HNRBIFIRSA-N 424.496 6.177 0 40 HKAB CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)Nc1ccccc1Cl)n2C 16162170 DELHPTHOEXZGJZ-UHFFFAOYSA-N 423.343 6.967 0 40 HKAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1Cl 17120629 YYORKMUMLPLPGL-UHFFFAOYSA-N 408.914 5.089 0 40 HKAB O=C(C[C@H](c1ccccc1)[C@@H](CC(=O)c1ccccc1)c1ccccc1)c1ccccc1 18190225 AJNWAXANBBNSKO-HNRBIFIRSA-N 418.536 7.100 0 40 HKAB Cc1ccc(CN2C(=O)CCc3c(C)nc([C@@H]4CCCN4C4CCCCC4)nc32)cc1 19695869 ODJYZSHJQMERAZ-QHCPKHFHSA-N 418.585 5.042 0 40 HKAB O=C(OC1CCCCC1)c1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1 20412182 SPTDDONURMILDG-UHFFFAOYSA-N 423.896 6.342 0 40 HKAB CCc1sc(NC(=O)c2sc(C)nc2C)nc1-c1ccc(Br)cc1 20463940 GMMFFFHOJCFMGR-UHFFFAOYSA-N 422.373 5.461 0 40 HKAB CCn1ncc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccc(OC)cc4)c3n2)c1C 20615163 SLVVESXSWYGWBV-UHFFFAOYSA-N 423.467 5.436 0 40 HKAB O=C1OC(c2ccccc2)=N/C1=C/c1cc2ccccc2nc1Sc1ccccc1 21596660 UYXUNFNNFWPEMM-CJLVFECKSA-N 408.482 5.731 0 40 HKAB O=C(Nc1nc2ccccc2s1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 22968739 XKZRUTFKADVAAU-UHFFFAOYSA-N 422.819 5.407 0 40 HKAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)OCc1nc2ccccc2s1 23441900 SXXVFGXDGSXTMM-UHFFFAOYSA-N 414.483 5.136 0 40 HKAB Cc1oc(-c2cccs2)nc1CC(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 24356075 NYXSUZPQERFKTJ-UHFFFAOYSA-N 421.449 5.230 0 40 HKAB COc1ccccc1-c1cc(CSc2nc(C3CC3)n(-c3ccccc3)n2)on1 25063593 FFAXDRBXCLGBNJ-UHFFFAOYSA-N 404.495 5.101 0 40 HKAB O=C(c1ccccc1Br)N(Cc1c(F)cccc1Cl)c1ccccn1 28289616 DWWMOPDMCXPHRL-UHFFFAOYSA-N 419.681 5.484 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3o2)cc1C 32116417 UBEWBXOKGBPNDT-UHFFFAOYSA-N 419.481 5.378 0 40 HKAB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)C1c3ccccc3C2(Cl)c2ccccc21 33379928 NHXJRNUANRWJRJ-ISQHLFTMSA-N 420.295 5.087 0 40 HKAB O=C(COc1ccccc1-c1noc(-c2ccc(F)cc2)n1)Nc1ccc(Cl)cc1 40488359 IXUFOTZNYMWAFM-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB CC(C)CSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(F)cc1 44087165 IVNLYXTXUJZQIW-UHFFFAOYSA-N 405.336 6.189 0 40 HKAB CCOc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 59056168 FWJORVJPMBRUPM-UHFFFAOYSA-N 411.929 6.329 0 40 HKAB Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3c(C)nn(C(C)C)c3C)n2)s1 72375802 WRPFEYVMCRERBK-HXUWFJFHSA-N 410.591 5.321 0 40 HKAB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)CC[C@H](c4ccccc4)[C@H]3C2=O)cc1 100580028 QLBWEDTZLSUCNV-VPBXCIAMSA-N 411.501 5.162 0 40 HKAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1c(F)cccc1Cl 102928255 VIRKHRFGZCEVGZ-JOCHJYFZSA-N 412.892 6.292 0 40 HKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc(Cl)c3Cl)o2)cc1C 107859824 QBCRULSIOMJGLR-UHFFFAOYSA-N 419.333 5.997 0 40 HKAB C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118913232 WQLVFSAGQJTQCK-FIBXIUFESA-N 414.630 5.714 0 40 HKAB Cc1ccc([C@H](NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c2ccccc2)cc1 216152003 KUXDYOVTSDCGFH-AJTFRIOCSA-N 412.577 5.746 0 40 HKAB C[C@H](NC(=O)CCCN1C(=O)c2cccc3cccc1c23)c1ccc(C(C)(C)C)cc1 219466188 DNSOHCUWDUQCLU-SFHVURJKSA-N 414.549 5.755 0 40 HKAB Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)cc2)cc1 222605521 QZBUKWUQEYPNKL-PDIWNELESA-N 417.603 6.131 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 222720688 BWYSHYVRSJBLRE-UHFFFAOYSA-N 418.729 5.305 0 40 HKAB Cc1c([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n(-c2ccccc2)c1C 222854586 VSMVKGVIPWHDOQ-GOTSBHOMSA-N 404.583 5.178 0 40 HKAB Fc1ccc(CNC(=S)Nc2ccc(Nc3ccc4ccccc4c3)nc2)cc1 223949001 UYOSJOBTUGHSSF-UHFFFAOYSA-N 402.498 5.604 0 40 HKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 224198194 RCNYSIMWURIWDP-RUZDIDTESA-N 420.597 5.021 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccc(C)cc1 224469171 QSXRQWMSZNALHH-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 224861245 KNADKWREFKYETK-WOJBJXKFSA-N 412.946 5.000 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225703929 YJSYRUXMQKOADK-BWKNWUBXSA-N 418.622 5.501 0 40 HKAB CCOc1ccc(C2(NC(=S)Nc3ccc(Br)cc3)CCCC2)cc1 225846172 UMCLXBPAFDCHMN-UHFFFAOYSA-N 419.388 5.604 0 40 HKAB CC(C)Oc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cc1 225867439 HNPYMJHSHLQREK-UHFFFAOYSA-N 417.018 6.359 0 40 HKAB COc1cc(C(=S)NCc2ccccc2C)ccc1OCc1ccccc1Cl 408571797 CNTNGYYFRAWVDD-UHFFFAOYSA-N 411.954 5.701 0 40 HKAB COc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)c1 408616367 YBKPKJMFYUVGKL-UHFFFAOYSA-N 416.521 5.175 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 408624932 VZLOSWBNJDFLLC-UHFFFAOYSA-N 424.283 7.298 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3)sc2-c2ccccc2)cc1 408722049 CNRWZNRVWLTFMI-UHFFFAOYSA-N 420.921 6.391 0 40 HKAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408975616 BHVNCSCDXQCLAB-INIZCTEOSA-N 419.488 5.211 0 40 HKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)cc1Cl 409110682 XTBKQCNVFVMPKB-UHFFFAOYSA-N 424.730 7.285 0 40 HKAB O=C1S[C@@H](Cc2ccccc2OCc2ccccc2)C(=O)N1Cc1ccccc1 409149663 MOYYIXGUYPFHPV-QFIPXVFZSA-N 403.503 5.072 0 40 HKAB Cc1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C1=S 625319 ZYQFMWLIKVGQJQ-LADGPHEKSA-N 423.541 5.124 0 40 HKAB O=C(COc1ccccc1Br)Nc1nc(-c2ccc(Cl)cc2)cs1 959340 GQLLSZYWCQVYTR-UHFFFAOYSA-N 423.719 5.244 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2C)c1 1640208 WBKLIEFWBGWJMC-UHFFFAOYSA-N 413.304 6.115 0 40 HKAB O=C(CSc1ccccc1)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 2141328 UHDDFXGVUACNAM-UHFFFAOYSA-N 408.592 6.589 0 40 HKAB CCOc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3F)no2)cc1 2231633 ADWGXVHYZRHHFP-UHFFFAOYSA-N 403.413 5.194 0 40 HKAB Cc1ccc(NC(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc23)cc1C 2291403 NYBQWXKNLWEOSW-UHFFFAOYSA-N 421.504 5.084 0 40 HKAB CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1Cl 2375421 IZRGJEIYJKZYEO-AFMDSPMNSA-N 416.285 5.327 0 40 HKAB CC[C@H](C)OC(=O)c1c(N)n(-c2ccc(C)c(Cl)c2)c2nc3ccccc3nc12 2407551 GZBWQRKPNFYHFE-ZDUSSCGKSA-N 408.889 5.073 0 40 HKAB Cc1ccc(OCc2nnc(SCc3cc(C)ccc3C)n2Cc2ccco2)cc1 2453715 UEZLOSHAHZZIKW-UHFFFAOYSA-N 419.550 5.716 0 40 HKAB CCOc1cc(C=O)c(Br)c(Br)c1OCc1ccccc1 2736411 CZYCQULYMNTUNF-UHFFFAOYSA-N 414.093 5.002 0 40 HKAB Brc1ccc(-c2nc(CSc3nc4ccccc4s3)no2)cc1 2759568 UOFPUOZLFREKIZ-UHFFFAOYSA-N 404.314 5.401 0 40 HKAB O=C(Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1)Nc1ccccc1 3047508 LSLWYKWPGINOKO-UHFFFAOYSA-N 404.922 6.312 0 40 HKAB Cc1cccc(NC(=O)c2c(NC(=O)c3ccccc3Cl)sc3c2CCCC3)c1 3100248 LBHIRMBMLZDOAM-UHFFFAOYSA-N 424.953 6.093 0 40 HKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)nc2c1 3108873 XGVVIDARQGFLCU-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB CC(C)(C)c1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc(C(C)(C)C)c1 3217625 QWHLGVPCQOGHRR-UHFFFAOYSA-N 401.934 5.731 0 40 HKAB C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)/C=C/c1cccs1 3391720 OXRUURLMLZBMMJ-OFAQMXQXSA-N 401.984 6.136 0 40 HKAB CCOc1ccc(NCc2nc3ccccc3n2CCOc2ccccc2C)cc1 4114837 RVDHNTRHDIVRQA-UHFFFAOYSA-N 401.510 5.435 0 40 HKAB COc1ccc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)c(OC)c1 4276298 WDAWAWRJDQRFNS-UHFFFAOYSA-N 410.517 6.463 0 40 HKAB COc1c(C)cccc1C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 4554929 GWQZRWZMYOPYMN-UHFFFAOYSA-N 408.910 6.186 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1 4614282 CSUZQUIUTGXHFM-NRQKSQBESA-N 414.615 5.153 0 40 HKAB C[C@@H]1CCc2c(oc3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc23)C1 4647271 JASMFLWEORXFJF-GFCCVEGCSA-N 420.328 5.121 0 40 HKAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(F)cc2)n2c(nc3ccccc32)N1 4742047 OINXBIWKULPDFD-HSZRJFAPSA-N 412.468 5.411 0 40 HKAB Cc1ccc(-c2c(NC(=O)c3ccc(Cl)cc3)sc3ccccc3c2=O)cc1 5241657 MJDOUWFVQHNKCD-UHFFFAOYSA-N 405.906 6.143 0 40 HKAB COc1cccc(/C=C2\Sc3ccccc3C2=O)c1OCc1ccc(Cl)cc1 6452338 XIYXOSUEZILEIJ-BKUYFWCQSA-N 408.906 6.257 0 40 HKAB COc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)cc1Cl 6825335 UYJGNIGJJQZUJG-HXUWFJFHSA-N 409.848 5.739 0 40 HKAB COc1cc(CNCC(C)C)cc(Br)c1OCc1ccc(Cl)cc1 6883532 DHIUOEREWQJSCO-UHFFFAOYSA-N 412.755 5.436 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCc3ccccc3C(F)(F)F)n2N)cc1 6906466 TYRABQRXNZVPAE-UHFFFAOYSA-N 406.477 5.268 0 40 HKAB Cc1nc(-c2ccc(NC(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)cs1 7438395 GPVGXGRYKAODOX-SFHVURJKSA-N 420.538 5.001 0 40 HKAB Clc1ccc(COc2ccc(Br)cc2CNCc2ccco2)cc1 7523645 SPOPXNLRQRMZAY-UHFFFAOYSA-N 406.707 5.564 0 40 HKAB COc1ccc(CCC(=O)Oc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)cc1 7650797 URSBTUQUVIHZOC-UHFFFAOYSA-N 414.457 5.315 0 40 HKAB Cc1ccc(Cn2nccc2NC(=O)c2cccnc2Sc2ccc(C)c(C)c2)o1 7779885 XGIXNJITVFJONN-UHFFFAOYSA-N 418.522 5.248 0 40 HKAB O=C(OCc1cc(-c2cccs2)on1)c1cccc(NC(=O)c2cccs2)c1 7851840 FIXXIULHWGZSTG-UHFFFAOYSA-N 410.476 5.074 0 40 HKAB COCCOC(=O)c1c(C)n(-c2cccc(Cl)c2)c2c1cc(O)c1ccccc12 8782971 UGQAKFHZWJRAJC-UHFFFAOYSA-N 409.869 5.254 0 40 HKAB biogenic,in-vitro Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)NCc1ccccc1 9515395 KMDDIHVBTHCXKC-UHFFFAOYSA-N 424.500 5.096 0 40 HKAB O=C(Nc1ccccc1)N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 9607530 CLVYGPQIWLTIND-LJQANCHMSA-N 404.857 5.301 0 40 HKAB O=C(CCc1nc(-c2ccsc2)no1)N1CCCC[C@@H]1c1nc2ccccc2s1 9642294 AMNUBDUSEKRAFM-MRXNPFEDSA-N 424.551 5.094 0 40 HKAB COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(Cl)cc2)cc1 12420655 BYZPHLHEULUCKR-VWLOTQADSA-N 402.925 5.978 0 40 HKAB biogenic,in-vitro CCOc1ccc([C@@H]2CCCN2C(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 12591235 UWKVIRCDABXLPT-DEOSSOPVSA-N 420.509 5.246 0 40 HKAB Cc1oc2cc3oc(=O)c(CC(=O)Nc4cccnc4)c(C)c3cc2c1-c1ccccc1 13732396 XBMVXYLBWZAHSA-UHFFFAOYSA-N 424.456 5.399 0 40 HKAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccc(F)cc4)cc3c2C)cc1 15729476 OGKVPXIJXHZHHG-UHFFFAOYSA-N 403.409 5.372 0 40 HKAB biogenic O[C@H](CNCc1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccccc1 16477385 MZGZYWQHEUFECG-RUZDIDTESA-N 417.936 5.895 0 40 HKAB COC(=O)c1ccc(Cn2nc(-c3ccc(F)cc3)c(C)c2-c2ccc(F)cc2)o1 17087875 OYEYVXJVKBBESW-UHFFFAOYSA-N 408.404 5.232 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3)oc2c1 17088142 CWSCOULAGVRJRT-UHFFFAOYSA-N 408.910 6.187 0 40 HKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(C(C)C)cc1 17089316 PMNKFSHKJHDDOX-UHFFFAOYSA-N 412.537 6.228 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)cc1Br 17093272 FIBVHKFELJDSRK-UHFFFAOYSA-N 422.628 5.772 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3ccccc3F)nc2c1 17094126 XKVKWSXNFDTDOA-UHFFFAOYSA-N 424.859 6.083 0 40 HKAB O=C(CCSc1ccc(Cl)cc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 17156423 OLKGQMRKJBNMOA-UHFFFAOYSA-N 418.927 5.313 0 40 HKAB COc1ccc2c(c1)-c1c(ss/c1=N\c1cccc(Cl)c1C)C(C)(C)N2 18256267 RATTXZNLEGBPEE-QOCHGBHMSA-N 402.972 6.340 0 40 HKAB Cc1ccc([C@@H](Cc2ccsc2)NCc2ccc(Oc3ncccn3)cc2)nc1 19215492 MBKVNMILMTXAIX-JOCHJYFZSA-N 402.523 5.107 0 40 HKAB CCCCCCOc1ccccc1CNc1ccccc1OCCOc1ccccc1 19738447 SJVTVQMLTZSESS-UHFFFAOYSA-N 419.565 6.716 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)NCc3ccc(-n4ccnc4)cc3)cc2)cc1 20044177 HLPLKHAOBFOWPZ-UHFFFAOYSA-N 413.546 5.403 0 40 HKAB O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)c1ccc(F)cc1 20530549 STQRYHFXOLFERF-UHFFFAOYSA-N 405.454 5.420 0 40 HKAB COc1ccc(S[C@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1OC 22514314 JGPOAUHTRQNNFM-HZPDHXFCSA-N 401.572 5.359 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1 22873094 KTZYIKDGXMZXCU-UHFFFAOYSA-N 411.210 6.327 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(-n2ccnc2)nc1 25655059 ARRSHOBPBMIKRI-UHFFFAOYSA-N 423.501 5.310 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)COc4ccc5ccccc5c4)ccc3o2)cc1C 32116681 ADHCTDCAMAWBHM-UHFFFAOYSA-N 422.484 6.282 0 40 HKAB CCCCOc1ccc(NS(=O)(=O)c2ccc(OCCC)c3ccccc23)cc1 36636288 WTLONEFLGYFZKD-UHFFFAOYSA-N 413.539 5.608 0 40 HKAB COc1cccc(CNC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)c1 64472689 VODFGCQXFNZUNM-UHFFFAOYSA-N 406.482 5.284 0 40 HKAB O=C(NCc1ccc(F)cc1)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 64472780 ARGFWDIRQDIRTA-UHFFFAOYSA-N 410.901 5.928 0 40 HKAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 71283788 DLFNIEWJHVOGMN-LBPRGKRZSA-N 406.269 5.448 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)c1 72230047 ALZOBWUKZPPGMI-RUZDIDTESA-N 423.940 5.871 0 40 HKAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ncc(-c2c(F)cccc2F)o1 72277175 ORPBBZXWLMYROY-GHTZIAJQSA-N 424.491 5.737 0 40 HKAB CC(=O)Nc1ccc(CN2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)cc1 72358112 FJRZKZHSXZHSAK-RUZDIDTESA-N 403.501 5.107 0 40 HKAB Cc1cc(C)cc(-c2nc3c(Br)c(N)c(Br)c(C)c3o2)c1 73639380 MAAJDXIXTILRAM-UHFFFAOYSA-N 410.109 5.527 0 40 HKAB Cn1c(CNc2nc(C3CC3)nc3scc(-c4ccccc4)c23)nnc1C1CCC1 95941765 TWXHVFGWEBGKIK-UHFFFAOYSA-N 416.554 5.244 0 40 HKAB CCCc1ccc(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 223424314 SKSTZZVGNYBERL-LYBHJNIJSA-N 419.952 6.028 0 40 HKAB Fc1ccc(C2(CNC(=S)Nc3ccc(N4CCCCC4)nc3)CCCC2)cc1 223983274 PYPWYATUSOWGDB-UHFFFAOYSA-N 412.578 5.009 0 40 HKAB COc1cccc(OCc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2OC)c1 224252143 KKXATKAPQRPQBO-UHFFFAOYSA-N 405.494 5.659 0 40 HKAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccc(C)c(C)c1 224292263 KLOUMUMGYGMNGI-UHFFFAOYSA-N 407.535 5.865 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccccc1Cl 224475046 QCCAJIMZCCNHAL-UHFFFAOYSA-N 401.934 5.770 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)cc1F 225393784 HMNSNSYSFGBSHR-UHFFFAOYSA-N 401.821 5.541 0 40 HKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1c(Cl)cccc1Cl 225828429 DQVCFWBRVPQEMQ-UHFFFAOYSA-N 412.276 5.768 0 40 HKAB Cc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(Br)cc2Cl)o1 226765796 STHVDCQACUILGW-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](C5(C)OCCO5)CC[C@]4(C)[C@@H]3CC[C@@]12C 253595563 GFXBFUNNPOLAPC-GTYJCMKRSA-N 404.591 5.340 0 40 HKAB O=C1S/C(=C\c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1c1ccc(Cl)cc1 408604191 UHBOWBYVAGIIRL-ZDLGFXPLSA-N 417.820 6.119 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)c(C)c1 408694557 KHZBHDXQLAOFRR-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CCCc1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc1-c1ccccc1 408823109 CPGCVPHIWHKNKR-UHFFFAOYSA-N 412.511 5.041 0 40 HKAB Cc1ccc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1Cl 408969931 XCUCGOCURXZAHL-UHFFFAOYSA-N 405.133 7.076 0 40 HKAB CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1Cl 409007111 NTAKOAHDPUGCCX-ATVHPVEESA-N 422.333 5.671 0 40 HKAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CCCOc3cc(C)ccc3C)c12 409206328 UNMPUKBDCBLXOL-UHFFFAOYSA-N 403.444 6.035 0 40 HKAB CC(=O)N[C@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(Br)cc2)C1 2037821221 OXHIWORCKFCZCX-AABGKKOBSA-N 422.750 5.590 0 40 HKAB CCOC(=O)c1c(NC(=O)c2sc3cc(C)ccc3c2Cl)sc(C)c1C 892382 GYSBDSVIQDBOCC-UHFFFAOYSA-N 407.944 5.970 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2ccc(C(C)C)c(C)c2)sc2c1CCCC2 1770627 HQNQFUBYUDXRMC-UHFFFAOYSA-N 415.555 5.253 0 40 HKAB c1cc(CSc2nc3ccccc3[nH]2)cc(CSc2nc3ccccc3[nH]2)c1 1918383 BLTGRBUBFAAZNC-UHFFFAOYSA-N 402.548 6.024 0 40 HKAB Cc1cc2oc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc(=O)c2cc1Cl 2215757 OPCQIGPKFRBICK-UHFFFAOYSA-N 416.182 5.679 0 40 HKAB CSc1nc(SCc2ccc3ccccc3c2)c2c3c(sc2n1)CCCC3 2222821 SCNJPZKIHBOBGY-UHFFFAOYSA-N 408.617 6.738 0 40 HKAB CCSc1nc2sc3c(c2c2nnc(SC/C=C(\C)Cl)n12)CCCC3 2266160 ZMDUELZEDDJAPP-CSKARUKUSA-N 411.021 5.565 0 40 HKAB O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(-c2ccccc2)cc1 2636024 VCDPYLBNKCRIQV-MOSHPQCFSA-N 404.263 5.461 0 40 HKAB COc1cc2c3nnc(-c4ccccc4)c-3cn(Cc3cccc(C)c3)c2cc1OC 2691358 VERPPOADIAUYQG-UHFFFAOYSA-N 409.489 5.577 0 40 HKAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1cccc(OC(=O)c2ccccc2F)c1 2989958 VZVQJRJHXCAWMO-NDENLUEZSA-N 421.811 5.043 0 40 HKAB Cc1ccc(Cn2c(-c3cccnc3Cl)nc3cc(Cl)c(Cl)cc32)cc1 3135069 ZUNHXRVUCLDTRE-UHFFFAOYSA-N 402.712 6.415 0 40 HKAB O=C(Nc1ccc(F)c(F)c1F)c1oc2ccccc2c1CSC1CCCCC1 3297638 ZDOOQXYMDHXHTA-UHFFFAOYSA-N 419.468 6.668 0 40 HKAB Clc1ccc(CSc2nnc(-c3cccs3)n2-c2ccc(Cl)cc2)cc1 3364525 BTWAPXQCIPVRGW-UHFFFAOYSA-N 418.374 6.595 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](C)NC2CCCCCCC2)sc2c1CC[C@H](C)C2 3377684 WQIMAKRVQZQHEN-HOTGVXAUSA-N 420.619 5.079 0 40 HKAB COc1ccccc1/C=C(/C(=O)OCCOc1ccccc1Cl)c1ccccc1 3401864 NQSASSMTRPNCHT-LVZFUZTISA-N 408.881 5.511 0 40 HKAB C[C@@H](SCc1ccccc1)C(=O)NCCSCc1c(Cl)cccc1Cl 4545804 QOWSXBHOEKSJQD-CQSZACIVSA-N 414.423 5.665 0 40 HKAB O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(Cl)c(Cl)c1 4688554 BLARASCBMGKQKE-UHFFFAOYSA-N 413.329 5.691 0 40 HKAB CCc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c12 5046967 QTRIKNNNAYRPHI-UHFFFAOYSA-N 419.575 5.960 0 40 HKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)c1 5235760 SMOYYAXIDSETEC-JOCHJYFZSA-N 409.533 5.530 0 40 HKAB CCc1cccc(C)c1NC(=O)CSc1nc(-c2cccs2)nc2ccccc12 5287985 KKDLSUABTUHWDD-UHFFFAOYSA-N 419.575 5.960 0 40 HKAB COc1ccc(-c2nc(CSC3=Nc4ccccc4CS3)cs2)cc1OC 5325681 OGJKQMKQRHAYDA-UHFFFAOYSA-N 414.577 5.995 0 40 HKAB CC(C)(C)P(=Nc1cc(Cl)ccc1Cl)(N1CCCCC1)N1CCCCC1 5496401 SJNRHTIXUWPBNE-UHFFFAOYSA-N 416.377 7.426 0 40 HKAB O=C(c1ccc(Br)cc1)N(Cc1ccco1)Cc1ccccc1Cl 6810612 OFQZHLLKSOEYDB-UHFFFAOYSA-N 404.691 5.538 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3ccc(C)cc3)sc2-c2ccccc2)cc1 6814373 VHCSKCANLYBEKR-UHFFFAOYSA-N 400.503 6.046 0 40 HKAB Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c(C)c1 6964997 GARJZUMIXSHWAY-FYJGNVAPSA-N 419.912 5.462 0 40 HKAB Cc1cc(NC(=O)c2ccc(CN3C(=O)CC4(CCCCC4)C3=O)cc2)ccc1Cl 7046907 OJQUAKDRFBIJTI-UHFFFAOYSA-N 424.928 5.110 0 40 HKAB COc1cc(CNC2CCCCCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 7523522 ZWSNAKDQMCGFTK-UHFFFAOYSA-N 422.396 6.784 0 40 HKAB CCOc1cc(CNCc2ccc(OC)cc2)ccc1OCc1ccccc1Cl 7538377 VSLDZXMPPGJVRR-UHFFFAOYSA-N 411.929 5.616 0 40 HKAB Cc1ccc(C)c(-c2csc(NC(=O)c3sc(-c4ccccc4)nc3C)n2)c1 7996201 IDZGPXHNRSCYTQ-UHFFFAOYSA-N 405.548 6.111 0 40 HKAB Brc1ccc(N2[C@H]3Sc4ncccc4[C@@H]2Sc2ncccc23)cc1 8384961 DBTFMNWFFBUKNO-ROUUACIJSA-N 414.353 5.655 0 40 HKAB O=C(CSc1ccc2ccccc2c1)N1CCC[C@@H]1c1nc2ccccc2s1 9861900 XAGSXXJCJWBMHX-HXUWFJFHSA-N 404.560 5.905 0 40 HKAB Cc1ccc(C)c(N2CCN(C(=S)Nc3ccc(Nc4ccccc4)cc3)CC2)c1 9876974 RPCJWVZBZDRDFM-UHFFFAOYSA-N 416.594 5.566 0 40 HKAB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)cc1 9983288 GPMTVCXYRMYJRG-WEVVVXLNSA-N 418.320 5.137 0 40 HKAB Cc1ccc2nc(COc3ccc(C(=O)N4CC=C(c5ccccc5)CC4)cc3)cn2c1 11660425 WHHADXVVITTYSK-UHFFFAOYSA-N 423.516 5.151 0 40 HKAB Cc1ccc(NC(=O)c2sc3nc4c(c(-c5ccccc5)c3c2N)CCCC4)cc1 12250492 VUARROJLMFPZIA-UHFFFAOYSA-N 413.546 5.985 0 40 HKAB COc1ccc(C)cc1-n1nnnc1SCc1sc2ccccc2c1Cl 12692283 DYBMIHGYGPSATO-UHFFFAOYSA-N 402.932 5.140 0 40 HKAB O=C(Nc1ccc2ccccc2c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 13009630 DNNPLOKLONZZNU-UHFFFAOYSA-N 415.802 5.950 0 40 HKAB O=C(CCN1CCCC[C@@H]1c1cccnc1)N1c2ccccc2Sc2ccccc21 15083160 INCKQJKAEPCBFS-HXUWFJFHSA-N 415.562 5.828 0 40 HKAB COc1ccc2ccccc2c1C(=O)Nc1cc(-c2nc3cccnc3o2)ccc1C 16347576 AZRZNQQKGZYEIW-UHFFFAOYSA-N 409.445 5.612 0 40 HKAB CCOc1ccc2nc(NC(=O)/C=C/c3cc(Cl)cc(Cl)c3OC)sc2c1 16693070 IVZRINHMHJOYMX-QPJJXVBHSA-N 423.321 5.662 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 16713466 UIUOFKNLYGJOHL-UHFFFAOYSA-N 422.600 6.267 0 40 HKAB Cc1ccsc1C1N(Cc2ccc(Cl)cc2)CCN1Cc1ccc(Cl)cc1 19320305 SIANUPFQGIMNLN-UHFFFAOYSA-N 417.405 6.380 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)c2nccc3ccccc23)n1 19691406 CSZQHPBOAPODJJ-DEOSSOPVSA-N 411.480 5.722 0 40 HKAB Cc1n[nH]c2c1[C@H](c1ccc(C(C)(C)C)cc1)N(c1ccc(Br)cc1)C2=O 20855046 HKULIAWZDDWKBG-FQEVSTJZSA-N 424.342 5.528 0 40 HKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)CSc4ccccc4)c3)oc2cc1C 21578643 HHENFFCXMYKDNK-UHFFFAOYSA-N 402.519 6.151 0 40 HKAB COc1ccc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cc1 22062299 DBQHWMPFMCOGIW-ABRSJASVSA-N 405.582 7.165 0 40 HKAB in-vitro O=C(c1c[nH]c2ccccc12)[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1ccccc1 23967986 CKLXTFCOXBHQLI-SANMLTNESA-N 423.516 5.009 0 40 HKAB C[C@@H](Sc1nccn1-c1ccc(Br)cc1)c1nc(C(C)(C)C)no1 24046753 JOBJNXOQWJZCQE-LLVKDONJSA-N 407.337 5.169 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N2CCCCC2)cc1 27994046 ZIXAXSPDRNRZQH-QFIPXVFZSA-N 404.554 5.623 0 40 HKAB COc1ccc(NC(=O)[C@H](C)SCc2csc(-c3ccco3)n2)cc1Cl 31420926 UYSLBGWJLZJOGH-NSHDSACASA-N 408.932 5.326 0 40 HKAB Cc1nnc(SCC(=O)c2ccccc2)c2nn(-c3ccccc3Cl)c(C)c12 36646288 ZOEBSMXIYNAJQS-UHFFFAOYSA-N 408.914 5.061 0 40 HKAB Cc1cc(C)c2oc(-c3cc(Br)cc(Br)c3O)cc(=O)c2c1 41195150 QMBFOGMMHYLDSF-UHFFFAOYSA-N 424.088 5.307 0 40 HKAB O=C(NCCC1=CCCCC1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078851 KLYMKCOOGDOPGZ-UHFFFAOYSA-N 422.956 5.553 0 40 HKAB O=C1c2ccccc2N[C@@H](c2csc(-c3ccc(F)cc3)n2)N1CC(F)(F)F 58377356 NWJWMVXPFNFFLA-MRXNPFEDSA-N 407.392 5.078 0 40 HKAB CCN1c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2-c2ccccc2S1(=O)=O 65315054 FEYVSDSLQVNMMU-UHFFFAOYSA-N 420.534 5.258 0 40 HKAB c1ccc2c(Cc3nnc4sc(C56CC7CC(CC(C7)C5)C6)nn34)cccc2c1 80346459 DQRVHWDHSNMNCU-UHFFFAOYSA-N 400.551 5.398 0 40 HKAB Cc1ccc(-c2nc(S(=O)(=O)Cc3ccccc3)c(-c3ccc(F)cc3)s2)cc1 82087243 LMBYSTJKSXJUOG-UHFFFAOYSA-N 423.534 5.899 0 40 HKAB CCCOc1ccc([C@H]2C=C(c3ccc(F)cc3)Nc3ncnn32)c(OCCC)c1 100758070 HLSSRUUDTYJCMQ-OAQYLSRUSA-N 408.477 5.051 0 40 HKAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Oc3ccccc3-c3ccccc3)cc1)[C@H]1C=C[C@H]2C1 101007133 BCIMCGGUVWTANB-CWGXUGAXSA-N 407.469 5.457 0 40 HKAB Clc1ccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3nnnn32)c(Cl)c1 101242571 JONVESGJJHQOLX-OAQYLSRUSA-N 420.303 5.703 0 40 HKAB CC(=O)OC1[C@@H]2CC[C@@H]1[C@@H]1[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 102983742 SBDFAYSYHLEGJM-RNXUPPRNSA-N 424.966 5.036 0 40 HKAB C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 118912445 GMBQZIIUCVWOCD-GTGHUROTSA-N 416.646 5.794 0 40 HKAB O=C(NCCCc1ccc(F)cc1)c1ccc(CN2CCCc3ccccc32)cc1 216407946 NTJIDEJBMAPQSG-UHFFFAOYSA-N 402.513 5.141 0 40 HKAB CCCCNC(=O)c1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 222687989 NQJZJMPDPPTSIS-UHFFFAOYSA-N 404.963 5.381 0 40 HKAB CC(C)c1ccccc1OCC(=O)NCCSCc1ccc(Cl)c(Cl)c1 222805916 WNEPOZZGVVRZSI-UHFFFAOYSA-N 412.382 5.545 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2cc(C)ccc2C)cc1 223675974 RXLFZKPUUKQOLD-UHFFFAOYSA-N 417.914 5.559 0 40 HKAB Fc1ccc(C2(CNC(=S)Nc3ccc(N4CCCC4)nc3)CCCCC2)cc1 224007763 QRIXJZPDKZFTGE-UHFFFAOYSA-N 412.578 5.009 0 40 HKAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224252249 OUJHMEZKEBMCRY-DEOSSOPVSA-N 422.613 5.169 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C)c(C)c3)c2)cc1 224291418 NQUUMTOPJLELSP-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)c1 224319703 OUUVJSOWAWRIIM-DNQXCXABSA-N 416.594 5.792 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1cccc(Cl)c1 224494752 FPFYSIOYQLUHQO-UHFFFAOYSA-N 415.961 6.160 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)CCCOc3ccc(Cl)cc3)ccc21 225153462 KNBJYHYJKHNXIZ-UHFFFAOYSA-N 404.919 5.095 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 225622400 OXNVTIXMMJPXRJ-FPOVZHCZSA-N 418.002 6.410 0 40 HKAB CCSc1nnc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)s1 225717459 WJAHHSIMBOCWDQ-NTCAYCPXSA-N 401.944 5.483 0 40 HKAB C[C@H](COc1ccccc1)NC(=S)Nc1ccc(CSc2ccccc2)cc1 225782557 GRASLOZMOLCORJ-GOSISDBHSA-N 408.592 5.733 0 40 HKAB CCOC(=O)c1cc(NC(=S)NC2(c3ccccc3)CCCC2)ccc1Cl 225866057 FROVJKJIZVOWQF-UHFFFAOYSA-N 402.947 5.273 0 40 HKAB CC(C)(C)c1ccc(C(=O)n2c3c(c4cc(Br)ccc42)CCCC3)cc1 227158358 WECDSUVNXNKQDW-UHFFFAOYSA-N 410.355 6.269 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SCc2ccccc2)cc1 256055753 RYCICBHULOCGTQ-UHFFFAOYSA-N 411.504 5.368 0 40 HKAB COc1ccc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(Cl)cc3)O2)c(F)c1 257327784 XCSWQXLGECLJGZ-XJUOHMSHSA-N 419.924 5.611 0 40 HKAB S=C(NCc1ccccc1Cl)c1ccc(OCc2ccc(Cl)cc2)cc1 408578367 XUNHSEQGWIQXMM-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1cccc(C)c1 408597161 XSVBUVSTOHWMFZ-UHFFFAOYSA-N 406.338 5.555 0 40 HKAB CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1ccc(F)cc1 408612428 VXTKWCODGGGSPQ-UHFFFAOYSA-N 403.856 6.208 0 40 HKAB COc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1OCc1cccc(F)c1 408613480 UNXDRSIVFOJDAK-UHFFFAOYSA-N 415.848 5.377 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1OC 408623423 UBDSZZOIYMIOOM-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@]2(O)C(C)(F)F)cc1 409002390 NOLKSKMROHKAHE-QFIPXVFZSA-N 420.887 5.232 0 40 HKAB O=C(c1n[nH]c2ccccc12)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 1848353338 QSFKETDPXZQCDQ-HXUWFJFHSA-N 420.900 5.163 0 40 HKAB Cc1ccc(C2=Nc3ccccc3N=C(c3cccc(Br)c3)C2)c(O)c1 716953 DBRKPSDVLJGKCK-UHFFFAOYSA-N 405.295 6.108 0 40 HKAB Cc1ccc(C)c(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 1380096 HPSOPCRSAUMZAD-JOCHJYFZSA-N 422.550 5.405 0 40 HKAB O=C(N[C@H](Nc1cc(Cl)ccc1Cl)C(=O)c1ccccc1)c1cccs1 1452571 BNBDWDYYHWSFPT-SFHVURJKSA-N 405.306 5.106 0 40 HKAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc(Cl)c(Cl)c1 1770420 QEFDJNCDXFMBMP-UHFFFAOYSA-N 409.700 6.424 0 40 HKAB Clc1ccc(-c2c[n+](Cc3ccc(Cl)cc3Cl)c3n2CCCCC3)cc1 1812502 ZJQUGUVYOJWALQ-UHFFFAOYSA-N 406.764 6.178 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 2050758 UFKXHKAXWOKZLT-UHFFFAOYSA-N 402.450 5.545 0 40 HKAB COC(=O)c1ccc(Oc2c(C)oc3cc(OCc4ccccc4)ccc3c2=O)cc1 2428233 ADDIPASDNQQVOF-UHFFFAOYSA-N 416.429 5.259 0 40 HKAB biogenic C[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CC=C(c2ccccc2)CC1 3381148 KEMNKYGGQOQNSO-CYBMUJFWSA-N 409.744 5.763 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 3449368 XFTVEXLGDWLKMK-UHFFFAOYSA-N 404.514 5.103 0 40 HKAB CC(C)Sc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 4875278 HMQPBSQAELASPP-UHFFFAOYSA-N 411.907 5.467 0 40 HKAB O=C(CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)NCc1ccccc1 5255766 VNSMFCROKYTYIO-UHFFFAOYSA-N 411.577 5.275 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1C(=O)c1ccc(Cl)cc1 5555417 HCRHXRISERKGCP-UHFFFAOYSA-N 404.680 6.130 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](Sc1nc2ccccc2[nH]1)c1ccccc1 5628227 PQGIWVLEWBFCEN-NRFANRHFSA-N 403.507 5.434 0 40 HKAB COc1ccc(NC2=NN=C(c3cc(C)n(Cc4cccs4)c3C)CS2)cc1 5861398 AJDWRDOFHIYUFP-UHFFFAOYSA-N 410.568 5.142 0 40 HKAB c1ccc(C(O[C@H]2CCCN(CCc3ccc4c(c3)OCO4)C2)c2ccccc2)cc1 6095934 BDNFQGRSKSQXRI-DEOSSOPVSA-N 415.533 5.228 0 40 HKAB biogenic CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 6144995 WJHITDRJGIJNSB-OAHLLOKOSA-N 414.962 5.043 0 40 HKAB CCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)c2C)cc1 6943738 VUUHLCSOWLXVLR-BUVRLJJBSA-N 413.521 5.058 0 40 HKAB Fc1ccc(-c2nc(CSc3nnc(-c4c[nH]c5ccccc45)o3)cs2)cc1 8187936 VYMQKXHINMOCKI-UHFFFAOYSA-N 408.483 5.773 0 40 HKAB Fc1cc2c(c(CSc3ncnc4ccccc34)c1)O[C@H](c1ccccc1)OC2 8189814 OSORKJCQBZXFBN-HSZRJFAPSA-N 404.466 5.669 0 40 HKAB Clc1ccc(/C=C/c2nc(-c3ccccc3)cn3c2nc2ccccc23)c(Cl)c1 8410088 GBUIYDCEPAFYKD-ACCUITESSA-N 416.311 7.027 0 40 HKAB Cc1cccc2c(=O)cc(CSc3ccccc3NC(=O)c3cccc(F)c3)[nH]c12 8617330 CDIYTCOPXREZPO-UHFFFAOYSA-N 418.493 5.520 0 40 HKAB CCOc1ccccc1NC(=O)Cc1csc(SCc2ccc(F)cc2)n1 8854070 HFANOGQDUKLWKY-UHFFFAOYSA-N 402.516 5.154 0 40 HKAB COc1cccc(Oc2c(-c3ccc(OCc4ccc(C)cc4)cc3O)n[nH]c2C)c1 8996160 FDIOBUDMZFVAJC-UHFFFAOYSA-N 416.477 5.779 0 40 HKAB O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1cn(Cc2ccccc2)nc1-c1cccnc1 9377253 NWGLJVNVLVWDOX-MQSCRBSSSA-N 414.553 5.082 0 40 HKAB O=C(Nc1ccc(-c2csc(NC(=O)c3ccccc3F)n2)cc1)c1ccccc1 9530864 GZJAWBVMORCIJB-UHFFFAOYSA-N 417.465 5.454 0 40 HKAB COCc1c(C(=O)Nc2ccccc2Cc2ccccc2)sc2cccc(F)c12 9643309 ZNPBNLUPCWINOQ-UHFFFAOYSA-N 405.494 6.030 0 40 HKAB Cc1nc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc2c(c1)CCC2 12640336 TXNVKXYCACYTSB-UHFFFAOYSA-N 411.914 5.098 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)N1CCC(c2nc3ccccc3s2)CC1 12917811 LETFNOZNFYZXGV-UHFFFAOYSA-N 421.349 5.388 0 40 HKAB CCN(CC)C(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 13688410 BZEZXLXDEGRRME-UHFFFAOYSA-N 400.522 5.206 0 40 HKAB COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN23)c1 13787025 TYNYDXOZPYBZJE-VWNXMTODSA-N 404.897 5.899 0 40 HKAB CCCCOc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1Cl 14649326 QLRKKKOFIMURHX-UHFFFAOYSA-N 417.130 6.187 0 40 HKAB O=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)NCc1cccs1 16848892 WERWZKLUKOYBIQ-UHFFFAOYSA-N 401.944 5.027 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 17093396 VWKUFFYHAVIPCT-UHFFFAOYSA-N 422.937 6.658 0 40 HKAB O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccc(F)c(Cl)c1 17155581 NIVAERDZUPBWJQ-UHFFFAOYSA-N 424.284 5.023 0 40 HKAB COc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2CC(=O)O)cc1 19894580 QKJQRCVLNUJDTL-UHFFFAOYSA-N 408.401 5.208 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20144315 IRDIZGLBDRELGF-UHFFFAOYSA-N 406.265 5.072 0 40 HKAB COc1ccc(N[C@@H](c2cccc(Cl)c2)c2nnc(-c3cccc(F)c3)o2)cc1 20249468 YSGUKGZLBVXWER-FQEVSTJZSA-N 409.848 5.739 0 40 HKAB Cc1ccc(OCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 20460556 SOEHCVIRHLYJOB-UHFFFAOYSA-N 415.533 5.849 0 40 HKAB Fc1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCO5)c(F)c1 21017636 BWMVVUIVMFAVSY-UHFFFAOYSA-N 401.372 5.248 0 40 HKAB COc1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1Cl 22258445 PEUVUQMOJPICAH-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB Cc1cc(I)ccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 22528548 GUPQSBGSXWILIR-AWEZNQCLSA-N 423.294 5.129 0 40 HKAB CCOc1ccc(-c2nc(CC(=O)Nc3ccc(O)c4ccccc34)cs2)cc1 32786738 MKWCDBZERNIOEO-UHFFFAOYSA-N 404.491 5.249 0 40 HKAB CCOc1ccccc1C(=O)Nc1ccccc1-c1nc(-c2ccc(OC)cc2)no1 33012678 WKIRZRVWNYBVEH-UHFFFAOYSA-N 415.449 5.063 0 40 HKAB O=c1c2c(ncn1Cc1ccccc1Cl)c1ccccc1n2Cc1ccccc1F 35400284 NOQRVXHAFODMEB-UHFFFAOYSA-N 417.871 5.240 0 40 HKAB CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2SC2CCCC2)c1 46293033 GVVAPKGXQMCITP-UHFFFAOYSA-N 409.960 5.031 0 40 HKAB Cc1ccc(C)c(CSc2nccn3nc(-c4ccc(Br)cc4)cc23)c1 48990968 GDYBCHFZCJYHOP-UHFFFAOYSA-N 424.367 6.068 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNc3ccc(C(C)C)cc3)cc12 57720693 JUWAUHQBEOYJKL-UHFFFAOYSA-N 406.917 5.411 0 40 HKAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 59500406 KTMHJJMYAHSILV-QQNJPBSNSA-N 413.904 5.301 0 40 HKAB biogenic CN(C)c1ccc(-n2c(SCc3ccc(F)cc3F)nc3ccccc3c2=O)cc1 67259098 MWRNTHQIWSOKBQ-UHFFFAOYSA-N 423.488 5.022 0 40 HKAB COc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1nccs1 67296177 IYUIWRTVJHGISJ-NMWGTECJSA-N 411.870 5.036 0 40 HKAB CNC(=S)N1N=C(c2ccccc2C)C[C@@H]1c1cc2ccc(C)cc2nc1Cl 71924210 IRGMGCSYOGLEJF-HXUWFJFHSA-N 408.958 5.160 0 40 HKAB CC(C)c1ccccc1NC(=O)COc1cccc(-c2nc(-c3ccccc3)no2)c1 72242801 RXEWSXXWEZKPIQ-UHFFFAOYSA-N 413.477 5.545 0 40 HKAB CCOc1ccc(-c2[nH]ncc2C(=O)N2CC=C(c3ccccc3)CC2)cc1Cl 72328709 NENHPYGDAYLIPU-UHFFFAOYSA-N 407.901 5.058 0 40 HKAB O=C(CCc1ccc(Cl)cc1)N1CCC[C@H](c2n[nH]cc2-c2cccc(F)c2)C1 72380390 HYVPBAYWBLHNDU-SFHVURJKSA-N 411.908 5.208 0 40 HKAB COc1cccc(C2=NN(C(=O)c3ccccc3F)[C@@H](c3ccccc3Cl)C2)c1 95116080 LKHZAKHCSPQNKE-JOCHJYFZSA-N 408.860 5.479 0 40 HKAB CCOC(=O)CCCCCCCCC(=O)N1CCCc2cc(Br)ccc21 96191702 HYTHVKYWUYTWOQ-UHFFFAOYSA-N 424.379 5.412 0 40 HKAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1 100080983 BZEVHHQWYHZHNK-YWUUFRFPSA-N 417.508 5.419 0 40 HKAB Cc1cc(N2C(=O)[C@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)cc(C)c1Br 101257685 CHHCHFDZBHHLJO-NEWSRXKRSA-N 412.327 5.139 0 40 HKAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 216327990 KZPBQGPKRJCLPG-MBBDBFLNSA-N 403.566 6.123 0 40 HKAB CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 222847205 XWEXBAGKYPTHCA-FGZHOGPDSA-N 407.539 5.121 0 40 HKAB O=C(NCCc1ccc(Cl)cc1)c1ccc(OCc2ccccc2Cl)cc1 224275072 DWWZJXFELDPYIX-UHFFFAOYSA-N 400.305 5.545 0 40 HKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 224309623 QACBYEMJXVEKJG-MRXNPFEDSA-N 401.919 5.271 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccc2ccccc2c1 224310366 GIVSSACXRLKPHI-IBGZPJMESA-N 411.501 5.918 0 40 HKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 224352147 HANUMCYXKMUKDB-DNQXCXABSA-N 416.594 5.738 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1cccc(OC)c1 224585459 CQBUBOOROAPYCI-SFHVURJKSA-N 405.494 5.164 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1cc(C)cc(C)c1C 224608397 ZLXSFAAHBULGIY-UHFFFAOYSA-N 417.549 6.459 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl 225213070 SIZHJOBJYZDTCF-UHFFFAOYSA-N 409.957 6.459 0 40 HKAB CC(C)Cc1ccc([C@H]2C[C@H]3[C@H](O[C@H]2C)c2cc(CC(=O)O)ccc2OC3(C)C)cc1 257240040 HRUFNEYGTQQKOV-XJVLEYDFSA-N 422.565 5.933 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408643876 RZFUVUORFRLASZ-SECBINFHSA-N 418.107 5.292 0 40 HKAB CCOc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)c2c(OCC)cccc12 409080447 NTJDGFARNWWAHR-CYVLTUHYSA-N 424.566 5.028 0 40 HKAB CC(=O)N1c2ccccc2[C@@H](N(C(=O)Cc2ccc(F)cc2)c2ccccc2)C[C@@H]1C 822381 JJZVHAROZSZJEF-BVZFJXPGSA-N 416.496 5.288 0 40 HKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(Cl)c3Cl)cc12 863658 DUQMAFNLGYMWFG-UHFFFAOYSA-N 402.306 5.955 0 40 HKAB CCc1ccc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)c(C)cc2c1 881221 ZCRFOAJVGHFZKL-UHFFFAOYSA-N 404.457 5.855 0 40 HKAB CCCCOc1ccc2c(=O)c(-c3ccc4oc(C(=O)OCC)cc4c3)c(C)oc2c1 2090756 DSTLOOPMCMLNMX-UHFFFAOYSA-N 420.461 5.870 0 40 HKAB biogenic CCc1ccc(-n2c(N)c(C(=O)OCC(CC)CC)c3nc4ccccc4nc32)cc1 2372405 FAODGAGYEKMEOH-UHFFFAOYSA-N 416.525 5.311 0 40 HKAB Cc1sc2nc(CN3CCCCC3)nc(Nc3ccc(OC(F)F)cc3)c2c1C 2638920 ZVEXFHMKHNAORJ-UHFFFAOYSA-N 418.513 5.639 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N[C@@H]4C[C@@H](C)CC(C)(C)C4)ncnc32)cc1 2714359 BVHUSVVAAOTSML-IFMALSPDSA-N 424.592 7.023 0 40 HKAB C[C@H]1CCCN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C1 2715104 AZBZRLJYOGHWGK-KRWDZBQOSA-N 402.929 5.977 0 40 HKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(C)c4)c3N2)cc1 3012759 IIIPKBSBPPWTGY-RTBURBONSA-N 414.431 5.413 0 40 HKAB Cc1ccc2nc(N(Cc3cccnc3)C(=O)CCOc3ccccc3)sc2c1 4273156 TUJKSQRZDUQPFT-UHFFFAOYSA-N 403.507 5.002 0 40 HKAB c1ccc(Oc2ccc(C3=NN4[C@@H](C3)c3ccccc3OC43CCNCC3)cc2)cc1 4371842 PAVVXXNNZKOCQX-DEOSSOPVSA-N 411.505 5.102 0 40 HKAB ON1C(c2ccc(Cl)cc2)=NN=C(c2ccccc2)[C@H]1c1c[nH]c2ccccc12 4452517 ULOPVXGEEVJUFQ-JOCHJYFZSA-N 400.869 5.418 0 40 HKAB CCN(CC)C(=S)S[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 4551432 XJYZQGUQQCVVSJ-DYESRHJHSA-N 412.624 5.835 0 40 HKAB Cc1ccc(-n2ncc3c(N(Cc4ccccc4)Cc4ccccc4)ncnc32)c(C)c1 4659349 JBCTWRGBAJAVJF-UHFFFAOYSA-N 419.532 5.639 0 40 HKAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1 4672617 TVCFZFCPGKFBDO-QGZVFWFLSA-N 400.478 6.026 0 40 HKAB CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)Cc4ccccc4)c3)nc2c1 4703851 GQCDZCZGVUUWNH-UHFFFAOYSA-N 404.897 6.453 0 40 HKAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(F)cc2)n2c(nc3ccccc32)N1 4742048 OINXBIWKULPDFD-QHCPKHFHSA-N 412.468 5.411 0 40 HKAB CCC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@@H]1c1ccc(Cl)cc1 4815120 UNZDZFFKLDZPGY-QZTJIDSGSA-N 401.297 5.062 0 40 HKAB CCN1CC[C@](CCOC)(CN2c3ccccc3Sc3ccc(Cl)cc32)C1 5053138 NJAXYLBHGRUHJR-JOCHJYFZSA-N 402.991 5.691 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1cccc(F)c1 5165924 LEKIMVLOFKQGKO-UHFFFAOYSA-N 401.224 6.193 0 40 HKAB COc1ccc(CCNc2cc(C)nc3c(-c4ccccc4Cl)cnn23)cc1OC 5246201 IBCWKTOLIWUCCK-UHFFFAOYSA-N 422.916 5.030 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccs2)N2CCC(C)CC2)c1C 5721693 OFCOARSTFHNNCU-QFIPXVFZSA-N 424.635 6.500 0 40 HKAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc2c3c(cccc13)CC2 5897465 BVSBVQPJRYQTBS-UHFFFAOYSA-N 406.696 5.916 0 40 HKAB O=C(Nc1cccc(Oc2ccccc2)c1)Nc1ncccc1OCc1ccccc1 6045556 VOXCIVQPBMCBAL-UHFFFAOYSA-N 411.461 6.097 0 40 HKAB CC(=O)c1sc(NC(=O)Cc2cccc(C(F)(F)F)c2)nc1-c1ccccc1 6235330 GVQYNFXOHSSKPH-UHFFFAOYSA-N 404.413 5.213 0 40 HKAB COc1cc(OC)cc(C(=O)N2CC[C@@]3(Cl)CCCC[C@@H]3[C@@H]2c2ccccc2)c1 7719385 HLWRCSWXRBUKBS-GPXNEJASSA-N 413.945 5.459 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(-c2nccs2)cc1 7987652 LTRCFRJQPRIGRS-UHFFFAOYSA-N 402.523 5.184 0 40 HKAB COc1ccc(-n2c(/C=C/c3ccc(Cl)c(Cl)c3)nc3ccccc3c2=O)cc1 8399632 NUGWGMPYCMRRJW-NTUHNPAUSA-N 423.299 5.872 0 40 HKAB O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 9107398 JTWWFYOOSHVBBO-UHFFFAOYSA-N 404.897 5.001 0 40 HKAB CCN(Cc1cccs1)C(=O)/C=C/c1ccc(OCc2cn3ccccc3n2)cc1 9835425 FNSPKMAREGVQID-JLHYYAGUSA-N 417.534 5.037 0 40 HKAB Cc1ccc(OCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c(C)c1 11667384 QHSJFEZKJRZEAG-IBGZPJMESA-N 417.509 5.206 0 40 HKAB CC(=O)N[C@H](CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1)c1cccs1 11810580 LKSSIJOTWKKSMV-MRXNPFEDSA-N 413.568 5.003 0 40 HKAB C[C@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccccc1C(F)(F)F 11903093 LIVZGUNGDXPCKP-ZDUSSCGKSA-N 403.429 5.282 0 40 HKAB CCOc1cc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)nc(C)n1 12225432 BNXHYSQBWMPBNO-UHFFFAOYSA-N 416.403 5.198 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1c(Cl)cccc1Cl 12599853 FNGJGPPNHDHUKP-LBTNJELSSA-N 401.330 5.083 0 40 HKAB COc1cccc(CNC(=O)CSC(c2ccc(F)cc2)c2ccc(F)cc2)c1 12822428 QIWWNPMOLFDOJO-UHFFFAOYSA-N 413.489 5.112 0 40 HKAB C[C@H]1CCc2sc(-c3nnc(SCc4noc(-c5ccsc5)n4)o3)cc2C1 12909731 IULZIRSJVUKOIK-JTQLQIEISA-N 416.553 5.327 0 40 HKAB CCOc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc3ccccc3n21 13810759 CDZOLELNRWLXCS-IFMALSPDSA-N 403.913 6.235 0 40 HKAB Cc1cc(C)cc(Nc2nc(N3CCC[C@H](C)C3)nc3c2cnn3-c2ccccc2)c1 17010822 HEIYBJFYALVLIK-KRWDZBQOSA-N 412.541 5.412 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1 17090042 GLWUTPFDAHVYCU-UHFFFAOYSA-N 414.534 5.228 0 40 HKAB O[C@@]1(c2ccccc2)c2ccccc2[C@](O)(c2ccccc2)c2cc3c(cc21)CCCC3 17837426 BVJFISVYJCGVAZ-RNPORBBMSA-N 418.536 5.447 0 40 HKAB CCOc1cc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)ccc1O 19331194 MCZSNCVHGUISNJ-UHFFFAOYSA-N 402.538 5.198 0 40 HKAB O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1cccc(C(=O)O)c1 20151062 BKERQPLQMHAZFF-CSKARUKUSA-N 401.340 5.316 0 40 HKAB O=C(CSCc1ccccc1Cl)NCCSCc1cccc(Cl)c1 20237994 XAPLKFMBLPZSSQ-UHFFFAOYSA-N 400.396 5.276 0 40 HKAB O=c1oc2c3c(c(Cl)cc2c2c1CCCC2)OCN(Cc1ccccc1Cl)C3 20403875 BORZHTLOADNAEX-UHFFFAOYSA-N 416.304 5.331 0 40 HKAB CCc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nc4ccccc4n32)cc1 20797321 ACUGCLPRPDIDMN-VWLOTQADSA-N 422.532 5.835 0 40 HKAB Cc1nc(Nc2nc(-c3ccccc3)cs2)ncc1C(=O)Nc1ccc(Cl)cc1 20799704 LUQQOCJLEBZKEB-UHFFFAOYSA-N 421.913 5.558 0 40 HKAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)/C=C/c1ccccc1Cl 28303782 GCSOTPBEUAUBBD-ZHACJKMWSA-N 400.309 5.507 0 40 HKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 30758311 YCZPGKBCWLJERV-LJQANCHMSA-N 416.304 6.582 0 40 HKAB O=C(C1CCN(Cc2ccc(Cl)cc2Cl)CC1)N1CCCc2ccccc21 30946789 PLLRYIVSPWMEED-UHFFFAOYSA-N 403.353 5.185 0 40 HKAB Cc1ccc(C(C)C)c(OCCCCn2c(CN3CCCCC3)nc3ccccc32)c1 31903416 KAKIVQVGUZOTRB-UHFFFAOYSA-N 419.613 6.313 0 40 HKAB CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c1 32848521 OEJYAAPRHLRMIU-UHFFFAOYSA-N 418.877 5.101 0 40 HKAB Cc1noc(C)c1CNc1ccc(NC(=O)c2ccc(F)cc2)cc1C(F)(F)F 32932758 OFUYZBIPPCXFOO-UHFFFAOYSA-N 407.367 5.314 0 40 HKAB Cc1ccc2nc(Cc3ccc(NC(=O)[C@@H](C)Oc4ccc(F)cc4)cc3)[nH]c2c1 35316708 QJFOIXWYJYEPQO-MRXNPFEDSA-N 403.457 5.007 0 40 HKAB Cc1cc(C)c(NC(=O)CSCc2csc(-c3ccccc3)n2)c(Cl)c1 36391244 LZKHIIRQWFMPCF-UHFFFAOYSA-N 402.972 5.952 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)cc1OC 40087544 MMHKOZXIAOWFEM-SFHVURJKSA-N 422.525 5.176 0 40 HKAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(Oc2ccccc2)nc1 40140431 WJMOJDIUAFCWCZ-UHFFFAOYSA-N 420.519 5.270 0 40 HKAB O=C(Nc1ccc(OC2CCCC2)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 44917064 AOGFYBYDQNIODI-LJQANCHMSA-N 412.961 5.512 0 40 HKAB CN(Cc1nc2ccccc2s1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 49655153 AWPQZAXDYSYVHV-QFIPXVFZSA-N 405.498 5.247 0 40 HKAB Cc1nc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)oc1C 63413993 HKPXZXVTIVLVNE-UHFFFAOYSA-N 415.877 5.075 0 40 HKAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3c(C)cc(C)cc3C)n2)cc1 67257585 TYMLAKYINSZIIV-UHFFFAOYSA-N 407.539 5.117 0 40 HKAB O=C(c1cnc2ccc(F)cc2c1NCc1ccc(C(F)(F)F)cc1)N1CCCC1 67288264 UDCVKIPDVRFTPE-UHFFFAOYSA-N 417.406 5.241 0 40 HKAB Cc1cc(CCCC(=O)N2CCC[C@@H]2c2ccc(Nc3ccccn3)cn2)ccc1F 72353202 BTSFVLNZPLDWJT-HSZRJFAPSA-N 418.516 5.354 0 40 HKAB Clc1ccccc1Cc1cccc([C@H]2CCCN2Cc2ccc3nccnc3c2)n1 72358073 LXQYSHRWPXUIMH-RUZDIDTESA-N 414.940 5.606 0 40 HKAB Fc1ccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 107027848 RCZQFOKDQFULOQ-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1cc(C)cc(C)c1C 224284647 JPKSSCBPATVQQC-IBGZPJMESA-N 421.512 5.830 0 40 HKAB c1ccc2c(c1)c1ccccc1n2-c1ncnc(-n2c3ccccc3c3ccccc32)n1 224533601 PDYACHDDBDFLHS-UHFFFAOYSA-N 411.468 6.066 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc(C)c1Cl 225153203 KWDMRASMFCOOMS-AWEZNQCLSA-N 418.946 5.320 0 40 HKAB O=C(Nc1ccc(OCCCN2CCCCC2)cc1)C1(c2ccccc2)CCCC1 225504088 DZIAWDWAEGBIJS-UHFFFAOYSA-N 406.570 5.392 0 40 HKAB CCOC(=O)c1cc(NC(=S)NCCCc2ccc(Cl)cc2)ccc1Cl 225544951 CBFZWKZLBPQPNC-UHFFFAOYSA-N 411.354 5.089 0 40 HKAB COC(=O)c1cc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)ccc1Cl 225765286 CUNOMCADOBBNTC-IBGZPJMESA-N 404.963 5.427 0 40 HKAB COC(=O)c1cn(C(=O)c2cccc3c(Br)cccc23)c2ccccc12 226366027 HSZSKKHQTMECRV-UHFFFAOYSA-N 408.251 5.032 0 40 HKAB Cc1c(N)cccc1NC(=O)c1ccc(-c2ccc(Br)cc2Cl)o1 226765864 DRFZCQKHISELTB-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB COc1ccc(NC(=O)COc2ccc(CNc3ccc(F)cc3)cc2Cl)cc1 408558829 WKJDMLLDFIPQJA-UHFFFAOYSA-N 414.864 5.117 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(Cl)cc3)n2)cc1 408696114 WHJUYOVLJYJANA-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OC 409130419 HTAVPVBNSVGEGC-NPRIEWAGSA-N 403.544 5.489 0 40 HKAB CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CC2CCCCC2)C1=O 409142295 XXIDOJUVMLQGIJ-GZTJUZNOSA-N 424.360 5.464 0 40 HKAB CCc1s/c(=N\C(=O)c2ccc(C)cc2Cl)n(C)c1-c1ccc(OC)cc1 409205998 LKFJSLANLRHKIW-LNVKXUELSA-N 400.931 5.028 0 40 HKAB CCN1N=C(c2ccc(C)cc2)[C@H]2C=C[C@H](O)c3c(C(=O)c4ccc(C)cc4)ccc1c32 670417859 XFZPBTQFWLBZNL-URXFXBBRSA-N 422.528 5.465 0 40 HKAB O=C(c1ccc(Cl)cc1Cl)[C@H](c1cccnc1)[C@H](O)C(Cl)(Cl)Cl 644735 RWHQUPKWBYNIJM-JSGCOSHPSA-N 413.515 5.086 0 40 HKAB C[C@]12C(=O)N(c3cccc4ccccc34)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 727019 MDZKOQLKYCEYQD-RVKJJEMLSA-N 415.492 5.627 0 40 HKAB COc1ccc(NC(=S)N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(F)cc2)cc1 1016870 HWZNWLOLHUVZQU-QFIPXVFZSA-N 423.488 5.522 0 40 HKAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)C(F)(F)F)c2ccccc2)s1 1365918 XWFKJDHMCSLLQG-SFHVURJKSA-N 424.488 5.142 0 40 HKAB FC(F)(F)c1cnc2c(-c3ccc(Cl)cc3)nn(-c3ccc(Cl)nn3)c2c1 1401610 KGECEXBSDAFDNR-UHFFFAOYSA-N 410.186 5.203 0 40 HKAB Cc1[nH]c2ccc(F)cc2c1CCNS(=O)(=O)c1ccc(C2CCCCC2)cc1 1422703 SFXZSPQQGSOEFJ-UHFFFAOYSA-N 414.546 5.184 0 40 HKAB O=C(OCc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc12 1837800 NXJRTFURWXTURW-UHFFFAOYSA-N 418.290 6.021 0 40 HKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1ccc(C)cc1 1927129 BEEXCPVIVFCECY-UHFFFAOYSA-N 411.548 5.631 0 40 HKAB CCOc1ccc([C@H](CCc2ccccc2)NC(=O)c2ccccc2)cc1OCC 2127259 OTICRUNCUWDNIY-QHCPKHFHSA-N 403.522 5.588 0 40 HKAB Cc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 2215803 GYVGHGZWFXPTHE-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB COc1cc2c(cc1NC(=O)c1cccc(Oc3ccccc3)c1)oc1ccccc12 3216037 YKDCQDLKQLEPSF-UHFFFAOYSA-N 409.441 6.639 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)/C=C/c2cccc(Cl)c2)c2ccccc2)c1 3314314 FCUJMVGUCJWRBJ-LCJITAHGSA-N 419.908 5.893 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)Cc1cccc(Cl)c1Cl 3390878 KTCYQCMUOAMDNU-NSHDSACASA-N 401.721 5.114 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@]2(C)C3=CC[C@@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C 3852195 ORLULZQEXHRVDY-PFZFYYTKSA-N 412.702 7.945 0 40 HKAB CCC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)Cc1ccccc1 4043426 ZDBBRQSWYMQDPX-VPUSJEBWSA-N 407.598 5.897 0 40 HKAB biogenic CCCCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cccs1 4161523 KVAXQDIMUHBFTH-UHFFFAOYSA-N 406.964 5.191 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)C(=O)c4c[nH]c5ccccc45)cc3)sc2c1 4163233 BGALFPZAXIPJHH-UHFFFAOYSA-N 411.486 5.574 0 40 HKAB COc1ccccc1C(=O)Nc1cc2c3c(c1)[C@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@H]21 4181899 DKJZTZCRPBGKCN-JYBIWHBTSA-N 402.538 5.549 0 40 HKAB Cc1cc(C)cc(OCCSc2nc(O)cc(COc3ccc(Cl)cc3)n2)c1 4625667 AYJNVEDHABLRPP-UHFFFAOYSA-N 416.930 5.203 0 40 HKAB COc1cc2ncc3c(-c4ccc(C)cc4)nn(-c4cccc(F)c4)c3c2cc1OC 4970050 GBMDRPKGBOBYTC-UHFFFAOYSA-N 413.452 5.705 0 40 HKAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1cc(Cl)ccc1Cl 5099342 UZOWPBKZFAADRO-UHFFFAOYSA-N 415.276 5.432 0 40 HKAB COc1ccccc1NC(=O)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl 5256159 KXEGHKXKILLNEL-FQEVSTJZSA-N 416.308 5.441 0 40 HKAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(SCc4ccc(F)cc4)c23)CO1 5302851 GIIXKLGFVKDPHZ-HXUWFJFHSA-N 420.600 6.086 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 6153069 OJYDKKBPHPHMNV-UHFFFAOYSA-N 401.812 5.799 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 6355900 HRVXWENXOJBVSK-OAHLLOKOSA-N 414.461 5.989 0 40 HKAB Cc1cccc(NC(=O)CN(C)c2ncnc3cc(-c4ccc(F)cc4)sc23)c1C 7988339 ALUDNUGJUFNRDT-UHFFFAOYSA-N 420.513 5.189 0 40 HKAB C[C@@H]1C[C@H](Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccccc2)C(=O)O1 8276095 TYVBTKKKOGUPTO-UZLBHIALSA-N 421.566 5.087 0 40 HKAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(-c2ccc(Cl)cc2)o1 8496604 FYLGYYQVHTVLHR-UHFFFAOYSA-N 412.902 5.273 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccccc1Br 8749350 IUHRZOLEBMHIBB-SNVBAGLBSA-N 400.725 5.230 0 40 HKAB Cc1ccc(OCCSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 9296252 VXCQGOJXWHJTNA-UHFFFAOYSA-N 422.941 5.462 0 40 HKAB Cn1c(NC(=O)c2ccc(Cl)cc2)c(-c2cccc(Cl)c2)c(=O)c2ccccc21 9327885 JTPDODZTZUQAOG-UHFFFAOYSA-N 423.299 5.765 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](NCc1ccccn1)c1ccccc1 9490960 GSBCXNHYFWLQOO-LJQANCHMSA-N 419.834 5.223 0 40 HKAB Cc1cc(-c2csc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)n2)c(C)s1 9724057 MCJXOEMOWQZWOK-UHFFFAOYSA-N 423.519 5.586 0 40 HKAB COc1ccc(Cl)cc1C(=O)NCc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 10120352 SVZSJVZLHSWVFT-UHFFFAOYSA-N 420.896 5.704 0 40 HKAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1cccc(NC(=O)c2ccco2)c1 11181692 GLCRZUJEEXADGQ-UHFFFAOYSA-N 416.477 5.012 0 40 HKAB Cc1ccc2cc(S(=O)(=O)Oc3ccc(OCc4ccccc4)cc3)ccc2c1 11613888 AHBFBILYHLHVAD-UHFFFAOYSA-N 404.487 5.495 0 40 HKAB COc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(Br)cc2)c(O)c1 11866395 GEOWWQMPJGSRCF-UHFFFAOYSA-N 414.177 5.504 0 40 HKAB biogenic CSc1ccccc1C(=O)Nc1cc(C)nn1-c1nc(-c2ccccc2)cs1 12441797 RCILPJFEVQWHCY-UHFFFAOYSA-N 406.536 5.278 0 40 HKAB Cc1ccc(OCc2nc(C(=O)Nc3ccccc3Br)cs2)cc1 12921107 AUBUFOPJHYGVLT-UHFFFAOYSA-N 403.301 5.045 0 40 HKAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 13284021 MMOGNDHLZNHBET-UHFFFAOYSA-N 421.444 5.119 0 40 HKAB COc1ccc(OC)c([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc(Cl)c4)=NN23)c1 13768616 OFCVVNIDTSWHAV-QPPBQGQZSA-N 420.896 5.600 0 40 HKAB CCc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1 13946168 NQXQQZMNMXWECY-UHFFFAOYSA-N 404.897 6.580 0 40 HKAB CCn1c(Cc2ccc(OC)cc2)nnc1SCc1c(Cl)cccc1Cl 14091673 AZHCDHIUMDKCKU-UHFFFAOYSA-N 408.354 5.497 0 40 HKAB Cn1ccnc1[C@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 16261753 DBHZWDOCKIXROU-JOCHJYFZSA-N 401.897 5.260 0 40 HKAB CCc1c(-c2ccc(OC)cc2)nn(-c2ccc(F)cc2)c1-c1ccc(OC)cc1 17082392 GIIIFVDMKJNEFF-UHFFFAOYSA-N 402.469 5.925 0 40 HKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(Oc2ccccc2)cc1 17190898 SQUJEFGFNJQIKL-UHFFFAOYSA-N 422.509 7.008 0 40 HKAB COc1ccc(OC)c([C@@H]2SCC(=O)N2c2ccc(Oc3ccccc3)cc2)c1 17197989 SLGWTXRMOTYZSW-QHCPKHFHSA-N 407.491 5.275 0 40 HKAB Fc1cc2c(c(CSc3nnc(C4CC4)n3C3CC3)c1)O[C@@H](c1ccccc1)OC2 17280343 WRPVPVLKGCWGTB-QFIPXVFZSA-N 423.513 5.530 0 40 HKAB COc1cccc(C(=O)N2CCC(c3cc(Cc4ccc(F)cc4)cc(C)n3)CC2)c1 19691652 KZOLMZWSBSMVKJ-UHFFFAOYSA-N 418.512 5.148 0 40 HKAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 20140401 IOWOHDDSCWTROL-UHFFFAOYSA-N 411.816 5.744 0 40 HKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1ccc(CC)cc1 21005537 YYTWMTFVTDDDLX-VWLOTQADSA-N 423.516 5.588 0 40 HKAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1ccc(CC)cc1 21787316 IPLZWXAXISXWFM-HSZRJFAPSA-N 405.542 5.141 0 40 HKAB Clc1ccc(-c2nnc(CN3CCCC[C@H]3c3nc4ccccc4s3)o2)cc1 23968219 YCDYDLINQPCAPP-KRWDZBQOSA-N 410.930 5.727 0 40 HKAB Cc1ccc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)c(C)c2c1 28291254 UPRDQEMOAUEHOF-HSZRJFAPSA-N 418.581 5.914 0 40 HKAB CCc1ccc(C(=O)CCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1 32900623 HWTHAIRSRPUONN-UHFFFAOYSA-N 415.493 5.495 0 40 HKAB Cc1occc1-c1nnc(SCc2noc(-c3ccsc3)n2)n1-c1ccccc1 32908190 XEOSDQWLEVFWCV-UHFFFAOYSA-N 421.507 5.240 0 40 HKAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1nc(-c2ccc3c(c2)CCC3)cs1 32986528 GRLDWAMYIIRZBE-UHFFFAOYSA-N 414.962 5.365 0 40 HKAB CCOC(=O)CCn1nc(-c2ccc(C)c(C)c2)c(Cl)c1-c1ccc(C)c(C)c1 36611266 GSTQTMDSSMHNQU-UHFFFAOYSA-N 410.945 6.057 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 38860746 HCPZABJXATXVOG-FQEVSTJZSA-N 420.940 5.983 0 40 HKAB COc1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cc1NC(=O)OC(C)(C)C 46008381 ASAVLKQFAJULCZ-KRWDZBQOSA-N 417.531 5.473 0 40 HKAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2cnn(Cc3ccccc3)c2)cc1 57270853 UYLSUYNEORYNLZ-SANMLTNESA-N 424.548 5.052 0 40 HKAB Cc1c(Br)cc(-c2nc3cc(Cl)ccc3o2)cc1Br 57331915 WMCJTIATAXVBOF-UHFFFAOYSA-N 401.485 5.982 0 40 HKAB Cc1ccc2c(NC(=S)NC(=O)/C=C/c3ccc(Cl)cc3Cl)cccc2n1 59294381 MTURSWOQTQUPKF-JXMROGBWSA-N 416.333 5.376 0 40 HKAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NC(C)C)c(C)c3cc2c1-c1ccccc1 62001301 CYIFHSHSAYGXKR-UHFFFAOYSA-N 417.505 5.589 0 40 HKAB biogenic COC(=O)c1cc(Nc2ccc(OCc3ccccc3)cc2)c2cccc(Cl)c2n1 65033738 DMWVVGHINFVNSO-UHFFFAOYSA-N 418.880 5.997 0 40 HKAB Cc1cc(Nc2nccs2)cc([C@@H]2CCCN2C(=O)CCCc2ccc(F)cc2)n1 72372676 ZOKRVBQKLCZQCB-NRFANRHFSA-N 424.545 5.416 0 40 HKAB Cc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2c2cccc(Nc3ccc(F)cn3)n2)cc1 72375845 ICAYCMGDNDNGAI-OAQYLSRUSA-N 418.516 5.309 0 40 HKAB Brc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 101072010 CHAUUGRGHLDLMQ-CTNGQTDRSA-N 404.311 5.945 0 40 HKAB OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc(F)cc2)C[C@H](c2ccc(Cl)cc2)C1 102642698 STICKSNCYMGCLF-GKVSMKOHSA-N 418.899 7.108 0 40 HKAB Clc1ccc(NCc2c(OCc3ccccc3)ccc3ccccc23)cc1Cl 107040568 NCFRVPMRLFOWKQ-UHFFFAOYSA-N 408.328 7.338 0 40 HKAB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 118934468 WKSGKUYVQIETQT-FSVSIKEZSA-N 414.674 6.670 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)cc1 216311033 OWJXTFOAUGBLAQ-GOSISDBHSA-N 414.423 5.914 0 40 HKAB CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223403904 UTWBGKYRURLTEU-DEOSSOPVSA-N 424.972 5.437 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3)c2)cc1 224194879 NDEGOMVYQCGNCQ-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(C)ccc3C)o2)cc1 224917070 WYOQKEPCPLAGQO-UHFFFAOYSA-N 412.489 6.276 0 40 HKAB Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1OCc1ccccc1 225549163 ZPQFESKPIZRJCM-UHFFFAOYSA-N 417.524 6.554 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1C 225587728 XAOLOWBQOWHDJV-QGZVFWFLSA-N 402.941 5.185 0 40 HKAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225703351 NGHSPRRIMWICBI-QGZVFWFLSA-N 414.880 5.731 0 40 HKAB COc1ccc(C2(NC(=S)Nc3cccc(OC(C)C)c3)CCCC2)cc1OC 225867674 DXVSWYPWDUNMKR-UHFFFAOYSA-N 414.571 5.247 0 40 HKAB O=C1CS[C@H](c2ccc(OCc3ccc(F)cc3)cc2)N1c1ccc(Cl)cc1 408558827 WJYSFNJIDIAXTJ-JOCHJYFZSA-N 413.901 5.837 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2cccc(Cl)c2)c1 408694345 JHHWZMXKQCDMOS-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cccc(NCc2ccc(OCc3cccc4ccccc34)c(Cl)c2)c1C 409111454 IUVIEEFTNACZBO-UHFFFAOYSA-N 401.937 7.301 0 40 HKAB CCOc1cc(C)c(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1C(C)C 409139336 MZWURKJIBVOWED-FYJGNVAPSA-N 401.572 6.134 0 40 HKAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1c(Cl)cccc1Cl 1019597 ZZZSLPCOWAYEOF-GOSISDBHSA-N 402.281 5.195 0 40 HKAB COc1ccc(-c2c(C)oc3cc(OC(=O)c4ccccc4)ccc3c2=O)cc1OC 1454642 PTPQSEXRCBWYDX-UHFFFAOYSA-N 416.429 5.005 0 40 HKAB biogenic O=C(Oc1ccc2ccc(OC(=O)c3cccc(F)c3)cc2c1)c1cccc(F)c1 2069607 XJZYBPPCPWRAGT-UHFFFAOYSA-N 404.368 5.556 0 40 HKAB Cc1ccc(-n2c(SCc3cccc(F)c3)nc3sc(C)c(C)c3c2=O)cc1C 2143230 LIMZEFRKGZYXHX-UHFFFAOYSA-N 424.566 6.112 0 40 HKAB CCC(CC)COC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 2264017 LDOILNSZQDODSR-UHFFFAOYSA-N 422.916 5.402 0 40 HKAB CCc1cc2c(-c3ccccc3)cc(=O)oc2c2c1OCN(c1ccc(F)cc1)C2 2405199 IOOIUGGPKMXQRR-UHFFFAOYSA-N 401.437 5.518 0 40 HKAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 3264772 XNPPYNMMYNQATH-INIZCTEOSA-N 414.461 5.241 0 40 HKAB Cc1cccc(Oc2ccc(Cl)cc2NC(=O)COc2cccc3cccnc23)c1 3340529 BZKVGPRERZIKSL-UHFFFAOYSA-N 418.880 6.006 0 40 HKAB CCC(=O)N(CC[C@@H](c1ccc(C)cc1)c1ccco1)Cc1ccc(OC(C)C)cc1 4028856 HWMUEILJSOTNTQ-VWLOTQADSA-N 419.565 6.336 0 40 HKAB biogenic O=C(Nc1cccc(C(F)(F)F)c1)N(Cc1ccc(Cl)cc1)Cc1cccnc1 4045212 LRGSBFZUWGHORH-UHFFFAOYSA-N 419.834 5.988 0 40 HKAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1cc(Cl)ccc1Cl 4305566 QKLNAZQFMGLXHR-LJQANCHMSA-N 417.361 5.589 0 40 HKAB CN(C)CCN(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2s1 4585288 JJHRWONPCOYJPE-UHFFFAOYSA-N 417.534 5.297 0 40 HKAB O=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)Cc1ccccc1Cl 4935361 JLWQMDCZXIIZGY-UHFFFAOYSA-N 409.894 5.351 0 40 HKAB CCOc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(-c4ccc(C)c(C)c4)c3c2c1 4970237 ABMZLHGQBQISOX-UHFFFAOYSA-N 421.544 6.873 0 40 HKAB CC[C@@H](C)c1ccc(Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)cc1 5235265 ZAHOMKNLKRWEGI-GOSISDBHSA-N 404.941 6.831 0 40 HKAB C[C@H](Sc1nc2ccccc2o1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 5628752 CGFIWJADSJZMSF-QMMMGPOBSA-N 401.702 5.907 0 40 HKAB S=C1[C@@H](CCCOCc2ccccc2)[C@H]2CCC[C@@]23C[C@@]2(CCN13)OCCS2 5940661 JJZMKOGCLSJYJV-JVSAHFFESA-N 417.640 5.035 0 40 HKAB CCOC(=O)c1c(NC(=O)Cc2coc3ccc(CC)cc23)sc2c1CCCC2 6809819 YJKZPTHOKTYZFV-UHFFFAOYSA-N 411.523 5.293 0 40 HKAB Cc1noc(C(C)C)c1C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 7491879 FGQGXSLOCBIHIN-UHFFFAOYSA-N 418.472 5.028 0 40 HKAB COc1ccc(SCC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 7597521 NEBYQDXQEKVWDQ-UHFFFAOYSA-N 410.564 5.428 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1 9063354 PIPUBAXQNTUAAH-UHFFFAOYSA-N 420.940 5.983 0 40 HKAB Cc1cccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)c1 9250080 RMLVNLRBDROCMQ-UHFFFAOYSA-N 419.550 5.298 0 40 HKAB Cc1nc(CSc2nnc(-c3cc(-c4cccs4)nc4ccccc34)o2)cs1 9666285 MZEIEECQIQMAQI-UHFFFAOYSA-N 422.560 6.071 0 40 HKAB Cc1cc(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)ccc1Br 10917237 GEUFONWWYOLJNO-UHFFFAOYSA-N 419.706 5.637 0 40 HKAB Clc1cc(Cl)cc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)c1 12082738 STOIRUOYYZQABZ-NCELDCMTSA-N 400.692 7.292 0 40 HKAB Cn1nc(C(F)(F)F)cc1[C@@H]1CCCCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12119635 JVHLOVDJJILFJI-HQHQJUQOSA-N 409.496 5.099 0 40 HKAB CCOc1cc(/C=C/C(=O)Nc2ccccc2C(C)C)ccc1OCc1ccccc1 13042075 CONFXHONZARCGS-BMRADRMJSA-N 415.533 6.440 0 40 HKAB COc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c3ccccc3n2)cc1OC 13953289 JINFMNIJBGLYFR-CALCHBBNSA-N 404.510 5.037 0 40 HKAB COc1ccc(-c2nc(CNC(=O)c3oc4ccc(Cl)cc4c3C)cs2)cc1 15832778 SHAHRBZMNZDMHT-UHFFFAOYSA-N 412.898 5.457 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)OCC(=O)N5CCCCCC5)(C4)C2)C3)cc1C 16035672 AUDQTBHSQOTRNE-PRSBGKBPSA-N 423.597 5.087 0 40 HKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 20044575 GYPVDZIDPITKGV-YSRWDZFWSA-N 407.529 6.090 0 40 HKAB C[C@H]1[C@@H](c2cccc3ccccc23)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 20388383 ONLWOWZCJPRUQU-CQEOPILBSA-N 401.506 5.541 0 40 HKAB O=C(Nc1ccccc1C(=O)Nc1ccccc1Cl)c1ccc(Cl)cc1Cl 20494751 NCHXPQLVDCTKQW-UHFFFAOYSA-N 419.695 6.151 0 40 HKAB Cc1c(C)c2ccc3c(c2oc1=O)CN(CC(c1ccccc1)c1ccccc1)CO3 20610038 XMAYVBTUIZSCIS-UHFFFAOYSA-N 411.501 5.394 0 40 HKAB biogenic O=C(NCc1ccco1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20733396 MFEBLBUDWZOJBW-HSZRJFAPSA-N 414.505 5.043 0 40 HKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC(Cc2ccccc2)CC1 22242474 LIHHFUZJCWRDNH-UHFFFAOYSA-N 408.929 5.409 0 40 HKAB COc1ccc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OC 22510476 KBNMPERIROVSAZ-UHFFFAOYSA-N 405.825 5.107 0 40 HKAB COc1cc(Br)c(CN[C@H](C)c2cccc3ccccc23)cc1OC 22787757 XXULJPUIUXWAJJ-CQSZACIVSA-N 400.316 5.470 0 40 HKAB S=C(NCCSc1ccccc1)N1CCC[C@H](c2nc3ccccc3s2)C1 24045773 HJJXJIRXWAXZPL-INIZCTEOSA-N 413.637 5.143 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1OCc1ccncc1 24745748 RULPYKBRLBCYET-GOSISDBHSA-N 416.521 5.039 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cnn(-c2ccccc2)c1C1CC1 29809230 LIDVYZBVCUMXHE-UHFFFAOYSA-N 419.488 5.545 0 40 HKAB COc1ccc(CN(Cc2nc(-c3ccco3)no2)[C@@H](C)Cc2cccs2)cc1 29967515 YZTOKXZYFOXOJR-INIZCTEOSA-N 409.511 5.033 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 30850614 URURDXJDFYMCED-QHCPKHFHSA-N 422.981 6.977 0 40 HKAB Cc1cc(/C=C(\Cl)c2nc(=O)c3ccccc3[nH]2)cc(C)c1OCc1ccccn1 32831799 BEPPJJDXWADDSL-MOSHPQCFSA-N 417.896 5.251 0 40 HKAB CCc1c(C(=O)Nc2ccccc2C)nnn1-c1ccc2noc(-c3ccccc3)c2c1 36639816 LUDMDAZNBWPXPV-UHFFFAOYSA-N 423.476 5.199 0 40 HKAB Cc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(-c3ccc(C)cc3)n2)cc1 40385355 VMGWYQCQGNMTES-UHFFFAOYSA-N 401.901 6.296 0 40 HKAB C[C@]12Cc3cnc(-c4ccccc4)nc3C[C@@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(C)O 57678738 PHBHRCDYKYBQFC-YEGZKXCGSA-N 416.609 5.852 0 40 HKAB in-vitro Cc1cc2oc(=O)cc(-c3cc4c(CN5CCSCC5)cnc(C)c4o3)c2cc1C 95478165 BIJPCSUSVPEHIB-UHFFFAOYSA-N 420.534 5.075 0 40 HKAB C[C@]12CN(Cc3ccccc3)C[C@@](C)(CN(Cc3cccc(Br)c3)C1)C2 100500628 DZPHUFWAKUVOBO-GOTSBHOMSA-N 413.403 5.183 0 40 HKAB C[C@H]1N2[C@@]3(c4ccccc4)O[C@@](c4ccccc4)(c4ccccc43)[C@]12c1ccccc1 104186823 MHVFAOMRYBUSQM-MVGAAKJCSA-N 401.509 5.775 0 40 HKAB Fc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 106938229 SKLIOORIKRLJSM-RBBKRZOGSA-N 423.285 5.831 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1Cl 106972274 BOTLGOPXSPUOPR-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB CCCOC(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 107811309 WAOFAGVVVDXYDR-UHFFFAOYSA-N 408.306 6.027 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118916907 CZDKQKOAHAICSF-VWNCJNCFSA-N 402.663 6.360 0 40 HKAB Nc1c(-c2nnc(-c3ccc(Cl)cc3)o2)sc2nc3c(cc12)CCCCCC3 215678817 ZJBLLMQOEMIERD-UHFFFAOYSA-N 410.930 5.908 0 40 HKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 222812819 HOACXXKTMBBKOY-HNNXBMFYSA-N 408.310 5.308 0 40 HKAB C[C@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc2c(c1)CCCC2 222906738 TXEXVIIYZHNOLL-YSRPOPIVSA-N 415.964 6.637 0 40 HKAB O=C(CSCc1c(F)cccc1Cl)NCCOc1ccc2ccccc2c1 223583571 JLDAZDKPZQGPOU-UHFFFAOYSA-N 403.906 5.061 0 40 HKAB Cc1cnc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)c(Cl)c1 223996039 SYKKSTAHNGYIRH-UHFFFAOYSA-N 408.398 5.885 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccccc1OC 224576094 VIWGZWKMKTYFEL-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1Cc1ccco1 225009556 DGYPKAKIFRCOBX-GOTSBHOMSA-N 420.582 5.056 0 40 HKAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(Br)cc1F 225660163 PNFNMQLXEKVDEA-ZDUSSCGKSA-N 409.368 5.631 0 40 HKAB COC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)ccc1OCC(C)C 225682987 GBTRIQCVKFJOCO-UHFFFAOYSA-N 413.489 5.098 0 40 HKAB CC(C)c1ccc(CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225806666 SHUFANMBMREDJL-UHFFFAOYSA-N 414.924 6.401 0 40 HKAB CC(C)c1ccc(NC(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1 225831436 UEEIHDNXPDJPCR-UHFFFAOYSA-N 411.505 6.098 0 40 HKAB CCOc1c(Cl)cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc1OC 260759451 GOIPQXABLJWGAM-ZOCIIQOWSA-N 417.962 5.122 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccc(F)cc2)c(C)c1 408700074 YQVLOZNERUICPT-UHFFFAOYSA-N 414.484 5.559 0 40 HKAB COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1C 408812899 PVAZTHCAWVJYSJ-JUCCXITFSA-N 421.586 6.058 0 40 HKAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O 409153677 ILTHNCCEHURULM-DEDYPNTBSA-N 416.502 5.132 0 40 HKAB COC(=O)[C@H](C)c1ccc([C@@H](O)CC(C)(C)C)c(-c2ccc(C(F)(F)F)cc2)c1 575362707 OIMSINFCTJBCIN-VLIAUNLRSA-N 408.460 6.119 0 40 HKAB Cc1cccc(NC(=O)c2ccc(Cl)c(NC(=O)[C@H](C)Oc3ccccc3)c2)c1C 713065 TWWLOKISSDKWPI-KRWDZBQOSA-N 422.912 5.615 0 40 HKAB Cc1cccc2cc(CN(Cc3ccccc3)C(=S)NC3CCCCC3)c(=O)[nH]c12 1224258 NHUSBPYPDODYOP-UHFFFAOYSA-N 419.594 5.046 0 40 HKAB Cc1cccc(Cc2cnc(NC(=O)CCCOc3ccc(Cl)cc3)s2)c1 1769915 CLIDSMQOHDIGBQ-UHFFFAOYSA-N 400.931 5.493 0 40 HKAB CC1=CC(C)(C)Nc2ccc(OC(=O)N3c4ccccc4Sc4ccccc43)cc21 1829193 HXEMUDHPWKTFLC-UHFFFAOYSA-N 414.530 7.096 0 40 HKAB CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C(C)(C)C 1946301 PVUXHVLQZIIVSP-UHFFFAOYSA-N 410.333 5.339 0 40 HKAB O=C(/C=C/c1ccccc1)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 1949673 MNGZENBQZQQTLM-WUKNDPDISA-N 410.498 5.693 0 40 HKAB CCCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 2050763 PGUBZVHIQDBPAW-UHFFFAOYSA-N 414.505 6.461 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1 2050785 GFALZOUDBRZDQP-UHFFFAOYSA-N 420.512 7.198 0 40 HKAB CC[C@H](C(=O)Nc1cc(C(=O)Nc2ccc(OC)cc2)ccc1Cl)c1ccccc1 2073524 KUHQSXIRGRPSJL-FQEVSTJZSA-N 422.912 5.733 0 40 HKAB CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccccc1 2193303 OGCXNCGINLAPHU-RNAHPLFWSA-N 422.509 6.140 0 40 HKAB COc1ccc(CSc2nc(-c3ccccc3)nc3sc4c(c23)CCCC4)cc1 2327032 IVEKURVFMCHAQD-UHFFFAOYSA-N 418.587 6.538 0 40 HKAB Cc1cc(SCc2ccc(Cl)cc2Cl)n2ncc(-c3ccccc3)c2n1 2419528 PVTYZTMXUFTTBM-UHFFFAOYSA-N 400.334 6.304 0 40 HKAB FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c(NC4CCCC4)ncnc32)c1 2714184 RGVQGIFFNLLOOZ-UHFFFAOYSA-N 422.454 6.461 0 40 HKAB Cc1ccccc1Nc1nnc(SCC(=O)c2cc(Cl)ccc2Cl)s1 3222589 RECDEXAYWRXTNB-UHFFFAOYSA-N 410.351 5.872 0 40 HKAB O=C(Nc1cccc(Cl)c1)NC1CCC(NC(=O)Nc2cccc(Cl)c2)CC1 3226579 UWGXQWFKUMAEFY-UHFFFAOYSA-N 421.328 5.248 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 3238779 JRCFVBUTLJXKQS-QGZVFWFLSA-N 413.945 5.847 0 40 HKAB O=C(O)c1ccccc1C(=O)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1 3382845 IHRYZMMCMOEDAV-UHFFFAOYSA-N 400.459 5.428 0 40 HKAB CC[C@](C(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)(C(=O)c1ccccc1)c1ccccc1 3846428 WIASCYIKGZAQQR-UODYQJQCSA-N 406.566 6.221 0 40 HKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 4073976 KYOFIJXMVNQYFC-YEAGPYSFSA-N 412.702 8.233 0 40 HKAB biogenic O=c1c2ccccc2nc2n1N1[C@@H](C[C@@H]2CC/C=C/c2ccccc2)[C@@H]1c1ccccc1 4114510 MESUIWVVIPCEAW-MOMSWKQWSA-N 419.528 5.439 0 40 HKAB COc1ccccc1/C=C1\CCC[C@@H]2C1=NN(c1ccccc1)[C@H]2c1ccccc1OC 4257769 XBAGCNXOKBXQSH-SJTRBXIMSA-N 424.544 6.505 0 40 HKAB Cc1ccc(-c2nc(C)c(CCNC(=O)c3ccccc3Br)s2)cc1 4392543 DDCWVEZYNBKJPB-UHFFFAOYSA-N 415.356 5.162 0 40 HKAB O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(-c2ccccc2)cc1 4593262 MZEADWWUXQXSFZ-UHFFFAOYSA-N 416.480 6.226 0 40 HKAB CCSc1nnc(-c2oc3nc(-c4ccccc4)nc(C)c3c2-n2cccc2)o1 4648832 ZXJYFPLUIIEVAI-UHFFFAOYSA-N 403.467 5.151 0 40 HKAB COc1ccc([C@@]23CCCC[C@@H]2C2(CCCCC2)c2ccc(OC)cc2O3)c(O)c1 4653224 JXPMGTURKXGEGZ-RSXGOPAZSA-N 408.538 6.089 0 40 HKAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)c1c[nH]c2ccccc12 5174505 MVRCSBAJQHDODY-UHFFFAOYSA-N 409.514 5.996 0 40 HKAB Cc1c(C#N)c(NC(=O)Cc2c(Cl)cccc2Cl)n(C2CCCCC2)c1C 5937954 MCYKGNSFIQEFBD-UHFFFAOYSA-N 404.341 5.970 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 6633804 AQAQPLQOMPIPOJ-UHFFFAOYSA-N 420.900 5.215 0 40 HKAB Cc1cc2sc(NC(=S)NC(=O)c3cccc4ccccc34)nc2cc1Cl 6826409 SCENWBOWVUSDEQ-UHFFFAOYSA-N 411.939 5.538 0 40 HKAB Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 7654831 OPVYGGJONVRMKF-MRXNPFEDSA-N 411.332 6.840 0 40 HKAB Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)cs2)cc1 8369090 OYTFJHOCIKKBNK-FQEVSTJZSA-N 420.534 5.257 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c(Cl)c1 8369841 QSJBKKUZZGUCML-UHFFFAOYSA-N 413.329 6.831 0 40 HKAB Cc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccc(Cl)cc2)cc1C 8476946 LVEQSWONCJZGAY-UHFFFAOYSA-N 416.912 5.135 0 40 HKAB O=C(CSc1ccc2ccccc2n1)Nc1cccn2cc(-c3ccccc3)nc12 9526041 VEBATJNIDVPXCW-UHFFFAOYSA-N 410.502 5.280 0 40 HKAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(COc2ccc(Cl)cc2)cc1 9549890 ZAALNLYAIKPBFX-UHFFFAOYSA-N 420.896 5.064 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1cc(Cl)c(Cl)cc1Cl 11059267 YGMRXRLGTPUWGM-UHFFFAOYSA-N 424.715 5.467 0 40 HKAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccccc2OC)cc1 11866438 ZZUOLAXMHAPAIP-UHFFFAOYSA-N 403.434 5.378 0 40 HKAB biogenic Cc1ccc(-c2csc(N3CCN(C(=O)/C=C/c4ccccc4Cl)CC3)n2)cc1 12462018 CONCDVFUPRACPB-ZHACJKMWSA-N 423.969 5.134 0 40 HKAB COc1c(F)c(F)c(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)c(F)c1F 12855263 XAPSUIGTDKQXSY-UHFFFAOYSA-N 416.330 5.312 0 40 HKAB COc1ccc(Cl)cc1NC(=O)CSCc1csc(-c2ccc(C)cc2)n1 13012567 YGMOKFVAHDTELR-UHFFFAOYSA-N 418.971 5.652 0 40 HKAB O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1cc(Cl)ccc1Cl 13602465 ZOHBHAWXAUMZJD-UHFFFAOYSA-N 417.683 5.633 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 13981740 YDMADDXQDSGMOP-UHFFFAOYSA-N 408.523 5.037 0 40 HKAB O[C@H](CNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1 16477366 IPYBELHWRBHIOF-RUZDIDTESA-N 417.936 5.895 0 40 HKAB Cc1ccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 16807906 DQPUJNRIIPJRMX-UHFFFAOYSA-N 413.590 6.833 0 40 HKAB Cc1c(Cl)cccc1NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 16899415 QXUCNEOMXHFVDZ-OAHLLOKOSA-N 414.836 5.109 0 40 HKAB O=C(Nc1cccc(Cl)c1)Nc1nnc(-c2ccc(Br)cc2)s1 17044662 BNBHVNHJKNQQRD-UHFFFAOYSA-N 409.696 5.265 0 40 HKAB FC(F)(F)c1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1 17089914 DOIXSWPKJJHNFJ-UHFFFAOYSA-N 414.496 6.214 0 40 HKAB COc1cccc(Nc2nc(NCCC(C)C)nc3c2cnn3-c2ccccc2)c1 17113137 BRAOGZARISPLER-UHFFFAOYSA-N 402.502 5.026 0 40 HKAB c1ccc(-c2nc3ccccc3n2Cn2c(-c3ccccc3)nc3ccccc32)cc1 17166949 ZKYXGGMNAPAOGX-UHFFFAOYSA-N 400.485 6.226 0 40 HKAB O=C(C1c2ccccc2Oc2ccccc21)N1CCc2[nH]c3ccc(Cl)cc3c2C1 20728172 ZROUWXIOKRMYLM-UHFFFAOYSA-N 414.892 5.644 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 22524418 KCOXJOMBCFDQRP-LJQANCHMSA-N 408.542 5.128 0 40 HKAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc2C1)c1cc(Cl)ccc1Cl 22907111 DEWIUYFZXUENJX-HXUWFJFHSA-N 415.320 5.116 0 40 HKAB O=C(c1csc(-c2ccsc2)n1)N1CCc2sccc2[C@H]1c1ccccc1 25900018 SEAUXJFAAVEDEZ-LJQANCHMSA-N 408.573 5.721 0 40 HKAB O=C(O)c1ccc(NC(=O)c2ccc(NC(=O)c3cccc4ccccc34)cc2)cc1 27298479 UZCYZBRIEPOBBI-UHFFFAOYSA-N 410.429 5.043 0 40 HKAB O=C(CN(C1=NCCCS1)c1ccccc1)c1ccc(Oc2ccccc2)cc1 28114383 GEINGOMZDNJIMW-UHFFFAOYSA-N 402.519 5.661 0 40 HKAB CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3cccc(CN4CCCC4=O)c3)cc2C1 29291111 BBADITIISIRAAD-GOSISDBHSA-N 410.583 5.274 0 40 HKAB O=C(NC(=S)Nc1cccc2cc(O)ccc12)c1ccc(-c2cccc(Cl)c2)o1 35419888 VGUFPNMHQPIYNC-UHFFFAOYSA-N 422.893 5.586 0 40 HKAB C[C@@H](OCCCNC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1ccccc1 36397113 MOCIGAJJUKBTTC-NRSPTQNISA-N 420.578 5.630 0 40 HKAB COc1ccc(Cl)cc1NC(=O)COc1ccc(C(C)C)cc1Br 40944341 HHVCTAJXAHCEKE-UHFFFAOYSA-N 412.711 5.252 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](C)SC(c2ccc(F)cc2)c2ccc(F)cc2)c1 58027461 FXIZZFMKBKJCKV-KRWDZBQOSA-N 411.517 6.431 0 40 HKAB CCc1ccc(-c2noc(-c3cn(-c4ccc(C)c(C)c4)c(=O)c4ccccc34)n2)cc1 67245301 NHSDWYABRJZLNF-UHFFFAOYSA-N 421.500 5.887 0 40 HKAB COc1ccc(Cl)cc1NC(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200251 BGPUZWIWJWVPIL-SJORKVTESA-N 417.893 5.030 0 40 HKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2cccc3ccccc23)C1=O 214871317 MYENBHNWVIGLNL-BDFKGGEMSA-N 417.530 6.254 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(N2CCCC2=O)cc1 219199752 MKWATZYCJXFURO-UHFFFAOYSA-N 406.869 5.511 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)c1ccccc1 219336128 DDKALECXEFKKIO-DEOSSOPVSA-N 409.485 5.867 0 40 HKAB CC(C)OCCCNC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 222424940 DDHDYFBHPANCQY-PPGCJVJLSA-N 418.581 5.528 0 40 HKAB Cc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NCC(C)C)c1 224168810 RMNWVXICKDQKJG-QFIPXVFZSA-N 422.613 5.241 0 40 HKAB O=C(NCCSCc1ccccc1Cl)c1cc(Br)ccc1Cl 225068387 PNTQGRSQNULCFY-UHFFFAOYSA-N 419.171 5.419 0 40 HKAB O=C(O)[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1cccc(Cl)c1 225133420 ALOTVPMLMCNWJD-FQEVSTJZSA-N 403.261 5.860 0 40 HKAB COc1cccc(NC(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)c1 225338823 WGKTVIYCNRQMCM-UHFFFAOYSA-N 401.491 5.062 0 40 HKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(C)cc1 225583415 BAVMEKJIIYXTNI-JOCHJYFZSA-N 402.941 5.267 0 40 HKAB Cc1ccc(SCCCNC(=S)Nc2ccc(Br)c(C)c2)cc1 225587406 ROMNTBMXJINRMC-UHFFFAOYSA-N 409.418 5.535 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225675204 HGPFHMXVGRVRDJ-LJQANCHMSA-N 412.555 5.069 0 40 HKAB O=C(c1cc2ccccc2o1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257218048 DBQMUYFGEKPBTK-HXUWFJFHSA-N 404.441 5.518 0 40 HKAB CCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccccc2)n(Cc2ccccc2)n1 257287628 PQUPHRFCANQRDK-UHFFFAOYSA-N 412.489 5.752 0 40 HKAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)C(c1ccccc1)c1ccccc1 408561143 GVCRIPKVVXYBFF-RQZHXJHFSA-N 412.558 5.804 0 40 HKAB CCOc1cc(/C=C/C(=O)Nc2ccc(Br)cc2Cl)ccc1OC 408608530 NWULEBCTQCEEON-WEVVVXLNSA-N 410.695 5.162 0 40 HKAB CC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 408619550 CSGJOUZDVJKGJU-VQHVLOKHSA-N 400.261 6.108 0 40 HKAB CC(=O)c1cccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 408621999 OSUVZAVNOHITPK-SOFGYWHQSA-N 400.261 6.108 0 40 HKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(Cl)cccc2Cl)cc1 408675620 JUKIXLNJJAHULM-UHFFFAOYSA-N 423.299 6.043 0 40 HKAB Cc1cc(C)c(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)c(C)c1 408679909 WPHGTFDJPYXXDN-UHFFFAOYSA-N 400.453 5.492 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2cccc(Cl)c2)cc1C 408699084 RJMYTDQISJVZFF-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB O=C(Nc1ccccc1Cl)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 408700026 YNNPFUHIZYFISY-UHFFFAOYSA-N 409.276 5.493 0 40 HKAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(SCc3ccccc3)sc2c1 408750916 UBELPWRFDIGZBR-IRXDYDNUSA-N 408.548 5.268 0 40 HKAB C[C@@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)C(=O)c1ccccc1 408852078 HWPNQFNNXJSWFR-LLVKDONJSA-N 409.294 5.319 0 40 HKAB Cc1ccc(SCCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 409178367 LKTJTTSVJZAMHT-UHFFFAOYSA-N 414.423 5.834 0 40 HKAB CCCc1cnc(Nc2cc(C)nc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)s1 585262646 OFSSKXGHMXKNJM-UHFFFAOYSA-N 417.579 5.052 0 40 HKAB Cc1cccnc1CN1CCC2(CC1)CO[C@H](c1ccccc1Cl)[C@@H](C(C)C)C2 1615152740 CXAKSRHXKSCODJ-ZJSXRUAMSA-N 413.005 6.059 0 40 HKAB CCOc1ccc(NC(=O)c2c(NC(=O)C(C)(C)C)sc3c2CC[C@H](C)C3)cc1 722380 HNJIFQUKUAEJIQ-AWEZNQCLSA-N 414.571 5.509 0 40 HKAB C[C@H](CC(=O)Nc1ccc(N2CCCC2)c(C(=O)N2CCCCC2)c1)CC(C)(C)C 747099 HITXQJXLJZLDJT-LJQANCHMSA-N 413.606 5.314 0 40 HKAB Cc1cccc(C(=O)Oc2ccc(Br)cc2C(=S)N2CCCCC2)c1 866339 OJYKWLXNNHBEHH-UHFFFAOYSA-N 418.356 5.138 0 40 HKAB COc1ccc(C(=O)N2CC[C@]3(Cl)CCCC[C@H]3[C@@H]2c2ccccc2)cc1OC 1236018 JKAIHNBLNWWOSE-NGYIFUPDSA-N 413.945 5.459 0 40 HKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(F)c2)cc1 1380184 RMSHHJDAEVKLSJ-QHCPKHFHSA-N 420.484 5.174 0 40 HKAB Cc1ccc(NC(=O)OCCSC(=O)COc2ccc(Cl)cc2Cl)cc1 1640273 LRQJQFYMDBIWAV-UHFFFAOYSA-N 414.310 5.189 0 40 HKAB Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)N[C@@H](C)c3ccccc3)c2c1 2079796 KCZFBCWHCRSHKO-SFHVURJKSA-N 414.936 6.663 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)cc1 2227949 QNDJWMXJHIBMJC-AWEZNQCLSA-N 414.962 5.380 0 40 HKAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SCc4ccccc4)c23)CO1 2235833 ACWFKHQWWZNZNQ-FQEVSTJZSA-N 402.610 5.947 0 40 HKAB CC(C)Sc1nc2c(c(=O)n1C1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 2275115 UJODAOOUWDXACZ-UHFFFAOYSA-N 422.638 6.674 0 40 HKAB CC(C)Oc1ccc([C@@H](CCNCc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1 2454043 JWEWFXZTLACCEX-DEOSSOPVSA-N 421.512 5.653 0 40 HKAB CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12 2480681 PKMIUGOLSIZKCR-UHFFFAOYSA-N 419.474 5.028 0 40 HKAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)c1cccc(Br)c1 2622298 FQBRMNRJUVOVEO-UHFFFAOYSA-N 413.242 5.081 0 40 HKAB O=C1Nc2ccc(S(=O)(=O)Oc3ccc4oc5ccccc5c4c3)c3cccc1c23 2694677 CZARVBQDPMXUAZ-UHFFFAOYSA-N 415.426 5.073 0 40 HKAB Cc1cc2ccccn2c1C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 3225991 HCTWKFFXYAPUNL-UHFFFAOYSA-N 405.910 5.841 0 40 HKAB COc1ccc(C)cc1N(C(=O)/C=C/c1cccs1)c1nc2ccccc2s1 3350261 KXIBIJUDRCULNS-ZRDIBKRKSA-N 406.532 6.053 0 40 HKAB O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccccc1N1CCCCC1 3412931 OMZFMFWJSXPTRS-UHFFFAOYSA-N 404.510 5.319 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1 3770804 IKKBMKWBUGHDKP-UHFFFAOYSA-N 400.478 6.153 0 40 HKAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)CC(C)(C)C)c1 4353860 APJRBYRILSFEDZ-UHFFFAOYSA-N 410.470 5.077 0 40 HKAB COc1cccc(CNCc2ccncc2)c1OCc1ccc(Cl)cc1Cl 4413569 PJGXUSKCMBUVDN-UHFFFAOYSA-N 403.309 5.266 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(N2CCCCC2)c(Cl)c1 4675286 YWHVWUUGVUMFFM-UHFFFAOYSA-N 413.732 5.655 0 40 HKAB CC1(C)C[C@H]2C[C@](C)(CN2c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)C1 4757700 QKCZBQGNBAWCDZ-YWZLYKJASA-N 409.883 6.221 0 40 HKAB Cc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NC3CCCCCC3)c2c1 4895192 VOTZKAFUKKMEHU-UHFFFAOYSA-N 423.557 5.675 0 40 HKAB Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1 4906077 GPOPUHIIWPCBLN-UHFFFAOYSA-N 407.300 6.769 0 40 HKAB CCOc1ccccc1Oc1cn[nH]c1-c1ccc(OCc2ccccc2)cc1O 5176519 KWWNICVORQGDBN-UHFFFAOYSA-N 402.450 5.552 0 40 HKAB CCC(=O)N(CC[C@]1(c2ccccc2OC)CCO[C@@H](C(C)C)C1)Cc1ccco1 5397235 YZCSNBFIOQJCHS-NOZRDPDXSA-N 413.558 5.190 0 40 HKAB COc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3cccs3)C[C@H]21 5547610 FPNIYRJNWXBKMF-XMSQKQJNSA-N 408.548 5.721 0 40 HKAB COc1ccc(Cl)cc1Nc1nc(-c2ccc(OC(C)C)cc2)nc2ccccc12 5563245 YQMXXOYGRKIISL-UHFFFAOYSA-N 419.912 6.490 0 40 HKAB CC1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 5573230 LWQQMFHPBUDKEY-HXYQTYRISA-N 401.337 6.443 0 40 HKAB O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1cc2ccccc2cc1O 5752375 SQECDESDYXOPPP-UHFFFAOYSA-N 409.526 5.196 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 5758799 LNGLEOIUQBVRRY-PWNVBJGISA-N 400.647 6.856 0 40 HKAB biogenic Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 6479852 RYBLCWDCHRUBSE-UHFFFAOYSA-N 413.926 5.183 0 40 HKAB Cc1cccc(C)c1NC(=O)Cn1cc(C(=O)COc2ccccc2)c2ccccc21 6547421 PNVZOSZTXLOASN-UHFFFAOYSA-N 412.489 5.159 0 40 HKAB CCCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 6629588 LIYSBSOTNHKRIC-UDWIEESQSA-N 410.926 5.789 0 40 HKAB CC(=O)c1ccc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1 6832183 UHZLWRJAGFIDFZ-UHFFFAOYSA-N 403.265 5.070 0 40 HKAB FC(F)(F)c1cccc(SCc2cccc(-c3nc4ccccc4s3)c2)c1 6943083 BQLGRFOKEQGYKG-UHFFFAOYSA-N 401.478 7.274 0 40 HKAB CC(C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O 8396092 KVJGKLPPEAVQKM-VCHYOVAHSA-N 422.333 6.017 0 40 HKAB CSc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 8743067 KAOIMTDNPLHELO-AHKZPQOWSA-N 422.553 6.804 0 40 HKAB Fc1ccc(Oc2nc(SCc3ccccc3Cl)nc3c2CCCC3)c(F)c1 8873080 AGJRAESZUBGNQW-UHFFFAOYSA-N 418.896 6.372 0 40 HKAB COc1cc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)cc(OC)c1 9598085 FGRRKZHZQPAZBY-UHFFFAOYSA-N 424.909 5.886 0 40 HKAB Cc1ccc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1NC(=O)c1ccco1 9951511 BMNQGSAURKSZQO-XMMPIXPASA-N 424.500 5.554 0 40 HKAB Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)cc1 12196037 ZSIMTYCGSOROSH-RBBKRZOGSA-N 414.814 6.000 0 40 HKAB Cc1ccc(-n2c(SCc3noc(-c4ccco4)n3)nnc2-c2ccccc2)cc1 12749621 WWPLFRUHHJIIHN-UHFFFAOYSA-N 415.478 5.178 0 40 HKAB CCN(CC)[C@H](CNC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 12857626 DDMRGHPIRQHAMQ-HSZRJFAPSA-N 400.522 5.328 0 40 HKAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccccc2Br)cc1 13002082 FJXRYBZFXRTYDF-FQEVSTJZSA-N 417.347 5.014 0 40 HKAB Cc1ccc(-c2nc(NC(=O)C3CC3)sc2NC(=O)c2ccc(Cl)cc2)cc1 13552889 LEGURJWWEKTTMG-UHFFFAOYSA-N 411.914 5.373 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1OC 14132249 NGAXLYYNZVRQJN-HYARGMPZSA-N 419.502 5.484 0 40 HKAB COc1ccc(-c2csc(CC(=O)Nc3ccccc3C)n2)cc1Br 14202040 UETNYUNPTSXCDE-UHFFFAOYSA-N 417.328 5.071 0 40 HKAB CCc1ccc(Nc2nnc(SCCCc3nc(-c4ccncc4)no3)s2)cc1 14729479 OCQXVIDOUGDCJS-UHFFFAOYSA-N 424.555 5.014 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCOCC4)cc3)o2)cc1Cl 16346627 YUPPNPSVZPWPPG-PKNBQFBNSA-N 422.912 5.397 0 40 HKAB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ncoc1-c1ccccc1Cl 19368291 OYQAPGTVTQPDHG-UHFFFAOYSA-N 416.824 5.451 0 40 HKAB Cc1ccn2cc(C(=O)N3CCC[C@H]3c3cc(-c4ccc(F)cc4)cc(C)n3)nc2c1 19691260 STXLWPNHEKLRHU-QHCPKHFHSA-N 414.484 5.130 0 40 HKAB CCN(Cc1cnc(C)s1)[C@H]1CCO[C@@H](c2ccccc2-c2ccc(OC)cc2)C1 19711925 FRRKHUFDZIOPCV-NBGIEHNGSA-N 422.594 5.869 0 40 HKAB COc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 20140138 UCXCQSSODFYKDL-UHFFFAOYSA-N 406.221 5.213 0 40 HKAB Fc1ccc(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)c(Cl)c1 22819565 XYVNSWRTWVFFOC-UHFFFAOYSA-N 416.953 5.007 0 40 HKAB COc1ccc([C@@H]2CCCCCN2C(=O)/C=C/c2c(Cl)nc3sccn23)cc1 24392466 BSJDQHPCYJXKBW-DVQDXYAYSA-N 415.946 5.215 0 40 HKAB Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)cs2)cc1 27990497 PBBHXIYNJSRBGD-IBGZPJMESA-N 422.594 5.677 0 40 HKAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1 28743590 PTVJQBSPJLYXSV-NSHDSACASA-N 423.321 5.700 0 40 HKAB CCCCc1ccc2nc(NC(=O)COc3ccc(Cl)cc3Cl)sc2c1 32119202 WFMAUFQBDXNQLJ-UHFFFAOYSA-N 409.338 5.963 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 36446806 WNZIILVMBVEYLL-HXUWFJFHSA-N 402.972 5.358 0 40 HKAB Brc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 38861175 DKGCBPXXSGYHFV-UHFFFAOYSA-N 401.307 6.592 0 40 HKAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1cc2ccccc2o1 40050333 NCEJTZYBEBNMEG-UHFFFAOYSA-N 424.500 5.152 0 40 HKAB CCc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccccc1 40387868 HARLZKCNLRHXDY-LLGFUMIMSA-N 400.526 5.271 0 40 HKAB Cc1ccc(-c2cnc(SC3CCCC3)n2-c2ccc(OC(F)F)cc2)cc1 44088162 QUSSAYVTGFIMFL-UHFFFAOYSA-N 400.494 6.484 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1Cl 44939929 SHIOVVVTUHTBJG-UHFFFAOYSA-N 414.933 5.145 0 40 HKAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 44947806 QSMNHZYJRKOSFT-QGZVFWFLSA-N 419.496 5.760 0 40 HKAB COc1ccccc1-c1ccccc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 49634580 OEPBOTXFUSXWRP-UHFFFAOYSA-N 412.445 5.460 0 40 HKAB Cc1ccc2cccc(NC(=O)COc3c(Cl)c(C)c(Cl)c(C)c3Cl)c2n1 57315701 QMERBFKMFKRFCY-UHFFFAOYSA-N 423.727 6.138 0 40 HKAB O=C(CSc1ccc(-c2ccc(C3CCCCC3)cc2)nn1)c1ccc(Cl)cc1 57486330 OKRHSVIQISDSLK-UHFFFAOYSA-N 422.981 6.820 0 40 HKAB Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1C 57486681 XKJJKQIOOZFPQT-UHFFFAOYSA-N 406.873 5.114 0 40 HKAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)N(c1ccc(O)cc1)C2=O 66088172 VIPVHSDORHWFBR-QFIPXVFZSA-N 415.880 5.290 0 40 HKAB FC(F)(F)c1cccc(-c2noc(COc3nc(-c4ccccc4Cl)no3)n2)c1 72068273 XDZNXZLKICOLPT-UHFFFAOYSA-N 422.750 5.038 0 40 HKAB CCCCN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215687 CILNYRSNRYYRKX-OAQYLSRUSA-N 401.595 6.093 0 40 HKAB CCCCN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215688 CILNYRSNRYYRKX-NRFANRHFSA-N 401.595 6.093 0 40 HKAB C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1nc(N2CCCCC2)ncc1Cl 72310290 RHZGKZDHJGECGX-LSDHHAIUSA-N 421.372 5.038 0 40 HKAB O=C(CCc1ccccc1)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1 72349041 IWTHSJJEMKDDSV-UHFFFAOYSA-N 402.513 5.150 0 40 HKAB CC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@H]1c1cccc(C)c1 79112129 KNZJJBATWJJLOB-SANMLTNESA-N 419.528 6.216 0 40 HKAB CCC(=O)N1N=C(c2cccc(C)c2)C[C@H]1c1cc2ccc(OC)cc2nc1Cl 89941543 WGYVEVMUHXLBMV-NRFANRHFSA-N 407.901 5.293 0 40 HKAB O=C(Nc1nnc(C(c2ccccc2)c2ccccc2)s1)c1ccccc1Cl 95116297 UTOUTLJAEWRTTP-UHFFFAOYSA-N 405.910 5.624 0 40 HKAB COc1ccc(-n2cc(-c3nc(-c4ccccc4C)no3)c3ccccc3c2=O)cc1 96324250 MBFVOVFAVIISLC-UHFFFAOYSA-N 409.445 5.025 0 40 HKAB CCOC(=O)c1ccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 100845849 WQXKZMBOQPIELY-KDGKYOGISA-N 417.549 5.648 0 40 HKAB OC1=C2C(=Nc3nonc3N[C@H]2c2cccc(O)c2)C[C@@H](c2ccc(Cl)cc2)C1 102741899 IPZVVDZDIAOFCN-YJYMSZOUSA-N 408.845 5.058 0 40 HKAB CC(=O)[C@@H]1C[C@H](O)C[C@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@@H](C)CCC(=O)O)[C@]21C 118916749 GJWTZEMFQOBISH-OZJYNSHOSA-N 418.618 5.322 0 40 HKAB CCCCCCc1cc(Br)c(Br)cc1CCCCCC 136983789 VGRFTVQEYAEIPF-UHFFFAOYSA-N 404.230 7.457 0 40 HKAB CCCCc1ccc2c(N)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)sc2n1 215736704 LPWRICLSDOGAOU-UHFFFAOYSA-N 409.433 5.372 0 40 HKAB CCC1(CC)C[C@H](NC(=O)C2CCN(Cc3ccccc3C)CC2)c2ccccc2O1 223113627 OOSGANSPZXRJPQ-DEOSSOPVSA-N 420.597 5.406 0 40 HKAB CC(C)C(=O)N(Cc1ccccc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223346990 LRDFGCDAHWPAIN-VWLOTQADSA-N 418.581 5.419 0 40 HKAB Cc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NCC(C)C)c1 224168874 RMNWVXICKDQKJG-JOCHJYFZSA-N 422.613 5.241 0 40 HKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C1CC1 224392814 LWIJZNXMTFGJSD-VXKWHMMOSA-N 406.530 5.151 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(Cl)ccc3C)o2)c1 224899915 XDPULRIICOIUOY-UHFFFAOYSA-N 418.880 6.231 0 40 HKAB O=C(COc1ccc(Br)cc1Cl)Nc1ccc(N2CCCCC2)cc1 224961423 UMOFCSOTLXRDLN-UHFFFAOYSA-N 423.738 5.110 0 40 HKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1nnc(SCc2ccccc2)s1 224996279 MPBNJMDFFHQMDP-OAHLLOKOSA-N 421.547 5.390 0 40 HKAB Cc1cccc([C@@H](NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c2ccccc2)c1 225292871 LFCJOALUQSXOJA-SANMLTNESA-N 409.533 5.376 0 40 HKAB Fc1ccc(CSCCCNC(=S)Nc2ccc(Br)cc2)cc1 225614479 SRCRLQJWHZUAAC-UHFFFAOYSA-N 413.381 5.198 0 40 HKAB COC(=O)c1cc(-c2ccc(C)c3ccccc23)nc2ccc(Br)cc12 226360535 RRMLDJDWISCECQ-UHFFFAOYSA-N 406.279 5.913 0 40 HKAB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](OC(=O)/C=C/c3ccccc3)CC[C@H]12 253530050 YDLGPSRBKLWFAV-UZOKHENQSA-N 406.610 7.044 0 40 HKAB CCOc1c(Cl)cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc1OC 260759444 GOIPQXABLJWGAM-GDIGMMSISA-N 417.962 5.122 0 40 HKAB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(Cl)cc2)C(=O)O)n[nH]1 408632123 NOXCPFANONDILT-NVNXTCNLSA-N 422.293 5.005 0 40 HKAB C[C@@H](SCc1ccccc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 408920786 MWULEVZRCASOFN-CQSZACIVSA-N 414.423 5.665 0 40 HKAB Cc1ccc(C)c(OCc2nc(-c3cc(C)ccc3OC(C)C)ccc2C(=O)O)c1 585265143 HPVSCRHVDHMORT-UHFFFAOYSA-N 405.494 5.738 0 40 HKAB CC(C)c1ccc2c(c1)NC(=O)C[C@@H]1CCN(C3CCC(F)(F)CC3)C[C@@H]1CCO2 1534646412 KCJKKBWGBVTGQO-OALUTQOASA-N 420.544 5.437 0 40 HKAB O=C(c1cc2ccccc2o1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 1848353977 LINSJVXBAFMLMV-SFHVURJKSA-N 404.441 5.171 0 40 HKAB COc1ccc(-c2csc(NC(=O)COc3ccc(C)cc3C(C)(C)C)n2)cc1 959157 WMIYUIHBTISGDO-UHFFFAOYSA-N 410.539 5.442 0 40 HKAB O=P(Nc1ccc(Br)cc1)(Oc1ccccc1)Oc1ccccc1 1852827 SAJRGKYWJAMHPQ-UHFFFAOYSA-N 404.200 6.127 0 40 HKAB Cc1ccc(OC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 2069943 LEDSGLWOVJQOHB-UHFFFAOYSA-N 416.480 6.491 0 40 HKAB CCOC(=O)CCc1c(C)c2ccc(OCc3ccc4ccccc4c3)cc2oc1=O 2094281 FHLUEVCAINNJIX-UHFFFAOYSA-N 416.473 5.329 0 40 HKAB biogenic COc1ccc(-n2c(SCCC(C)C)nc3sc4c(c3c2=O)CCCC4)cc1 2183414 KVRNIXPEIGZJAK-UHFFFAOYSA-N 414.596 5.473 0 40 HKAB CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3 2183514 AIQNNDRKMKGVFU-UHFFFAOYSA-N 412.624 6.307 0 40 HKAB CCCCCCNC(=O)C[C@@H](c1ccccc1)c1cc(Br)ccc1O 2190831 UCICKXNYLDPHKR-SFHVURJKSA-N 404.348 5.373 0 40 HKAB COc1ccc2oc(=O)c(-c3nc(-c4ccc5c(c4)Cc4ccccc4-5)cs3)cc2c1 2229666 YNLMLPYTQDWCDF-UHFFFAOYSA-N 423.493 6.163 0 40 HKAB CCOc1ccc2nc(SC(=O)Cn3c4ccccc4c4ccccc43)sc2c1 2277345 BJUFHTOEILDWJY-UHFFFAOYSA-N 418.543 6.122 0 40 HKAB CCOc1ccccc1C(=O)Nc1nn(CC(C)C)c2nc3ccc(C)cc3cc12 2405116 HSTXXWJOESGTKE-UHFFFAOYSA-N 402.498 5.200 0 40 HKAB CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)[C@]31Nc2ccccc2S1 2432497 IJGAUJYKWUYEJA-FTJBHMTQSA-N 412.558 5.892 0 40 HKAB COc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)cc1 2446010 MGUNURMTTSSTBA-UHFFFAOYSA-N 423.541 6.388 0 40 HKAB CCC1(CC)O[C@@H](c2ccc(-c3ccc(Br)cc3)o2)Nc2ccccc21 3087907 XSZCLOBAZIHQCR-NRFANRHFSA-N 412.327 6.865 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C1/C(=O)Nc2cc(Cl)ccc21 3219926 QAXKVARJMZNSAF-CXUHLZMHSA-N 404.684 5.634 0 40 HKAB COCCCNc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 3359690 INKXXGFJOUTXDW-UHFFFAOYSA-N 420.003 5.574 0 40 HKAB COc1cccc([C@@H](CNC(=O)Nc2ccccc2)c2c[nH]c3ccccc23)c1OC 3434477 JYDPHTRPUPQFCD-OAQYLSRUSA-N 415.493 5.139 0 40 HKAB CCOc1ccc(CNCC[C@H](CCC(C)C)[C@H]2CCOC(C)(C)C2)cc1OC 4084287 NQFRHAWKZVTFKT-VXKWHMMOSA-N 405.623 5.831 0 40 HKAB biogenic CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 4104926 HCXVJBMSMIARIN-LYKUUYSTSA-N 412.702 7.801 0 40 HKAB biogenic,in-vitro O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cccc(Cl)c3Cl)[C@H]12 4145120 WQXWAFMYHQNXKI-PGRDOPGGSA-N 410.325 6.774 0 40 HKAB COc1ccccc1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1 4977436 CDWKTYWSLUKPGF-UHFFFAOYSA-N 400.528 6.504 0 40 HKAB CCn1c(SC)nnc1[C@H]1CCCN1C(=O)N(c1ccccc1)c1ccccc1 5001572 WJVRRMILCKZXQV-LJQANCHMSA-N 407.543 5.115 0 40 HKAB COc1ccc([C@](C)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n2ccnc2)cc1 5500959 YNYWQUWRGILPNE-AREMUKBSSA-N 406.570 6.004 0 40 HKAB O=P1(NCCc2ccccc2)C=C(c2ccccc2)SC(c2ccccc2)=C1 5523567 DJNHSQDGTLEDFR-UHFFFAOYSA-N 403.487 6.841 0 40 HKAB CCCC[C@@H](C(=O)O)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2)n1 5713541 WXUQHHPIRQTVBY-QGZVFWFLSA-N 414.303 5.055 0 40 HKAB Cc1ccc(NC(=O)Cn2c(SCCC(C)C)nc3ccccc32)cc1Cl 5988429 XFGUHWFHBNFOSU-UHFFFAOYSA-N 401.963 5.775 0 40 HKAB CCc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 6359366 JHQYXFOQAWNCRE-UHFFFAOYSA-N 414.936 6.987 0 40 HKAB Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3cccc4ccccc34)cc2O)n1 6758932 AMRLQIRQDNSAEO-UHFFFAOYSA-N 419.484 5.831 0 40 HKAB biogenic Cc1nc(N2CCN(c3cccc(Cl)c3)CC2)c2c3c(sc2n1)C[C@@H](C)CC3 6822421 TYJCOXWLZYAEGN-AWEZNQCLSA-N 412.990 5.105 0 40 HKAB COc1ccc(NC(=O)[C@H](N[C@H]2CCCc3ccccc32)c2ccccc2)cc1Cl 6935584 YIFPLLFMGRIWKL-LADGPHEKSA-N 420.940 5.696 0 40 HKAB CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCCOc1ccccc1 6961181 KAVFSWQFNGYTBA-LTGZKZEYSA-N 401.462 5.036 0 40 HKAB Cc1occc1-c1nnc(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)o1 7194209 BAQDVJVGAUOUMT-SFHVURJKSA-N 409.442 5.249 0 40 HKAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)cc1 7882522 HBXYJMUURJFZEC-FQEVSTJZSA-N 414.505 5.341 0 40 HKAB CCN(CC)c1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)o2)cc1 8130659 APPPNSPEYOLKLX-UHFFFAOYSA-N 406.511 5.530 0 40 HKAB Fc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1c1cc(Cl)ccc1Cl 8398010 VDOUJDUPXZSZKU-FQEVSTJZSA-N 419.714 7.142 0 40 HKAB Cc1cc(C)c2c3ccccc3n(CCNC(=O)c3c(-c4ccccc4)noc3C)c2n1 8757927 QPSWGJQZLVQXBO-UHFFFAOYSA-N 424.504 5.200 0 40 HKAB O=C(Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1ccc(F)cc1F 9456007 NUIRENAZVVQAPB-UHFFFAOYSA-N 408.452 5.055 0 40 HKAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)N1CCC[C@H]1c1nc2ccccc2s1 9741232 MAIIOZRQNMHULK-WAVCKPEOSA-N 412.898 5.055 0 40 HKAB Brc1ccc(-c2nnc(COc3ccc(-c4ccccc4)cc3)s2)cc1 9805532 BNVKUHKIVBYKPL-UHFFFAOYSA-N 423.335 6.214 0 40 HKAB Clc1ccc(-c2cc3nn4c(-c5ccccc5)c(-c5ccccc5)nc4nc3o2)cc1 12320960 INSPBZJLIGNJGT-UHFFFAOYSA-N 422.875 6.525 0 40 HKAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCC(c1ccccc1)c1ccccc1 12681527 ZUUOVSSHQLXTFU-UHFFFAOYSA-N 409.533 5.110 0 40 HKAB O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(F)cc1Br 12692907 KXWLKMCMEATMJC-LJQANCHMSA-N 418.693 5.761 0 40 HKAB CCc1cccc(CC)c1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 12749461 CNZMYCOAKYISKD-RUZDIDTESA-N 404.579 5.459 0 40 HKAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 13041405 SWZSOWXZWAWOCJ-UHFFFAOYSA-N 420.484 5.139 0 40 HKAB O=C(Nc1ccccc1Cl)c1nc(SCc2ccccc2F)ncc1Cl 13630019 NNFAVSOWXMEANN-UHFFFAOYSA-N 408.285 5.467 0 40 HKAB Clc1cccc(Cl)c1CSc1nc2sc3c(c2c2ncnn12)CCCC3 13804416 XZXLOKGIQGJQSD-UHFFFAOYSA-N 421.378 5.817 0 40 HKAB Cc1ccc2c(c1)[C@@H](Sc1nc3ccccc3o1)C[C@@H](C)N2C(=O)c1ccccc1 13897762 XCVZLOZNQKINSN-HXOBKFHXSA-N 414.530 6.409 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2C2CCCCC2)cc1 13942352 FDLLEWAYXDDHJV-NDEPHWFRSA-N 420.556 7.021 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 16162011 GCROHGADFGCGQH-UHFFFAOYSA-N 422.937 6.197 0 40 HKAB COC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 16757752 MSOQWNITYUUUHN-CQSZACIVSA-N 423.925 5.395 0 40 HKAB CSc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(C)cc4)cc23)c1 17051651 YSXQQMBUMUHZGG-UHFFFAOYSA-N 420.563 5.157 0 40 HKAB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1cccc2ccccc12 17088111 NQVNKPNKHRCKFH-UHFFFAOYSA-N 408.832 5.639 0 40 HKAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(OCC(C)C)cc3)nc12 17089663 LOYIPUNAXRFTJO-UHFFFAOYSA-N 413.568 5.075 0 40 HKAB C[C@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCc3ccccc3)[nH]c(=O)c21 17138742 DWVPQNLKURFDOJ-AREMUKBSSA-N 416.590 6.123 0 40 HKAB Cc1nc(Nc2nc(-c3ccccc3)cs2)ncc1C(=O)Nc1cccc(Cl)c1 19819572 NZEBBHSCLQDHLE-UHFFFAOYSA-N 421.913 5.558 0 40 HKAB Cc1ccc(CSCCNC(=O)c2ccc(CSCc3ccccc3)cc2)cc1 20238902 KTKIBNUMZLEAJN-UHFFFAOYSA-N 421.631 6.092 0 40 HKAB CC1CCN(Cc2ccc(C(=O)NCCSCc3ccccc3Cl)cc2)CC1 20460432 UXXLGBIWJKTTGE-UHFFFAOYSA-N 417.018 5.235 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 30873289 OXQAMUXSZJVIHM-OAHLLOKOSA-N 408.272 6.522 0 40 HKAB COc1ccc([C@@H]2CC(O)=Nc3nc(N)sc32)cc1OCc1cccc(Cl)c1 32093440 ZKKNHZHIBTWXTD-AWEZNQCLSA-N 415.902 5.090 0 40 HKAB Cc1ccc(-c2csc(-n3c(NC(=O)[C@H](C)Oc4ccccc4)cnc3C)n2)cc1 32616150 ZXKWUFFNQFLGGN-INIZCTEOSA-N 418.522 5.019 0 40 HKAB CCn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCc1ccc(C)cc1 35288654 LVIZHSBULSVKPT-UHFFFAOYSA-N 421.595 5.634 0 40 HKAB CCc1ccccc1NC(=O)N(CCc1nc2ccccc2[nH]1)Cc1ccc(F)cc1 35291244 XRMUWXOEEFCLOL-UHFFFAOYSA-N 416.500 5.541 0 40 HKAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCc2sccc2[C@@H]1c1cccs1 36626659 RFBKZGOROFHZIW-LJQANCHMSA-N 401.528 5.280 0 40 HKAB COc1c(Br)cc(Br)cc1CNc1ccccc1Cl 37210746 RYHUNVMHBWLMJG-UHFFFAOYSA-N 405.517 5.486 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 44900054 IYJRJEDDLIAPHD-SXOMAYOGSA-N 409.529 6.211 0 40 HKAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078874 UQJFELOOSNOKPA-UHFFFAOYSA-N 408.860 5.324 0 40 HKAB COc1ccc(CC[C@@H]2CCCCN2C(=O)Nc2c(C)cccc2C(C)C)cc1OC 58326964 DFNMQNJPKWJHDI-NRFANRHFSA-N 424.585 6.155 0 40 HKAB COc1ccc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)cc1Cl 64872289 WDGWUFTYUZIMJO-UHFFFAOYSA-N 422.937 6.429 0 40 HKAB CC(C)c1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)c1 67292780 MXZCAROMKYGZBE-XFMXRJAISA-N 424.928 5.351 0 40 HKAB Cc1cc(C)n(-c2nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3s2)n1 72229776 KBNTYUYZPFRZHJ-UHFFFAOYSA-N 404.539 5.649 0 40 HKAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 72229873 BBHQVHGWFOVEEV-IBGZPJMESA-N 406.696 5.981 0 40 HKAB CCn1c(CN2CCC[C@@H]2c2cccc(Nc3ncc(C)s3)n2)nc2ccccc21 72375341 SJWVCWSMRZLFOB-LJQANCHMSA-N 418.570 5.297 0 40 HKAB FC(F)(F)c1cc(NC(=S)NCc2ccc(Cl)cc2Cl)ccc1Cl 107397850 GUKDTWPUSMAPHR-UHFFFAOYSA-N 413.679 6.152 0 40 HKAB COc1ccc(-c2ccc(CCC(=O)O)n2CCOc2c(C)cc(C)cc2C)cc1 107750441 VDXSKMLRLLGGGQ-UHFFFAOYSA-N 407.510 5.185 0 40 HKAB O=C(NCCCc1ccccc1Cl)c1cc(Cl)ccc1OCc1ccccc1 219768455 JOSSMUHNHGSTQG-UHFFFAOYSA-N 414.332 5.935 0 40 HKAB O=C(NCc1cccc2ccccc12)c1ccc(CN2CCc3ccccc3C2)cc1 222828068 INJALJAPDLQQKU-UHFFFAOYSA-N 406.529 5.328 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(CSc3ccc(C)cc3)c2)cc1 224663964 HOMOUKZHUOHKBQ-UHFFFAOYSA-N 421.562 6.337 0 40 HKAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(OCc2ccccc2Cl)cc1 224919617 UBAVEYMWYYZIFZ-UHFFFAOYSA-N 406.913 5.772 0 40 HKAB Cc1cccc(CSCCNC(=S)Nc2ccc(Br)cc2F)c1 225338112 GMFXLXDXQCESTH-UHFFFAOYSA-N 413.381 5.116 0 40 HKAB Cc1cccc([C@@H](NC(=S)Nc2ccc(Br)cc2)c2ccccc2)c1 225698096 SNNLGQCPITXHNP-FQEVSTJZSA-N 411.368 5.834 0 40 HKAB Cc1cccc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c(=O)oc12 226035733 BSBOWSDRHBWZGU-UHFFFAOYSA-N 417.848 5.238 0 40 HKAB Nc1nc2c(Br)cc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2s1 226310686 NNTNCJQUPCGUSG-UHFFFAOYSA-N 417.115 5.200 0 40 HKAB Cc1cccc(NC(=O)COc2ccccc2CNc2ccc(Cl)cc2Cl)c1 408611451 SEVNMQGUYIIOCV-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3C)n2)c1 408697439 HNSHPUARWFYZHY-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB O=C(Nc1cccc2ccccc12)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 408699398 UBHZOTGRWHVIIY-UHFFFAOYSA-N 424.891 5.993 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 408699575 UWODFXIVALVCIU-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1nc(-c2ccc(C(=O)OCC(=O)c3ccc(-c4ccccc4)cc3)cc2)cs1 409021823 AHYLHEWOYBVCNN-UHFFFAOYSA-N 413.498 5.825 0 40 HKAB CCCc1sc2nc(SCc3ccccc3)n(-c3ccc(F)cc3)c(=O)c2c1C 409111346 IIZWJJZEDKACEW-UHFFFAOYSA-N 424.566 6.140 0 40 HKAB COc1c(Cl)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Cl 409126835 BTBSCHGOGOEQDO-OQLLNIDSSA-N 400.327 5.619 0 40 HKAB Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 409175933 FCROHBMDQXZBEJ-IBGZPJMESA-N 418.562 5.607 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 1848355098 ZILDZGOXZQWLCA-OAQYLSRUSA-N 409.533 5.102 0 40 HKAB C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1Br 637579 YTMPLHYMJBRMJD-OSXLHZELSA-N 418.334 5.931 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1OC 849032 PJTZFMKTLHEXHS-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB Cc1ccc2nc(-c3cccc(NC(=O)c4cccc(Br)c4)c3)oc2c1 865345 JCPNXORVCVAAIA-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB CCOc1ccc(NC(=S)N2CCC(c3nc4cc(C)c(C)cc4[nH]3)CC2)cc1 1327100 WBCDNGFUQIENLY-UHFFFAOYSA-N 408.571 5.155 0 40 HKAB COc1ccc(OC)c(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1 1445775 GKYGKAUGERQNCT-UHFFFAOYSA-N 416.713 6.131 0 40 HKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)cc1Cl 2254979 UIPVDYOFVDTNDQ-UHFFFAOYSA-N 419.864 5.887 0 40 HKAB Clc1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)c3ccccc3n2)cc1 2270148 XGPMDZPDTKVFAC-UHFFFAOYSA-N 400.696 7.001 0 40 HKAB Clc1ccc(/C=C2\CCCC3=C2N=C2N=CNN2[C@H]3c2ccc(Cl)cc2)cc1 2587027 FOISYPNWBJFEEO-AUFJSOOLSA-N 409.320 5.774 0 40 HKAB Cc1c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)oc2c1ccc1ccccc12 2663183 AYCZVFSMAAQEIZ-UHFFFAOYSA-N 403.787 6.819 0 40 HKAB COc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)cc1Cl 2725989 DFCOAABPZDSRBY-UHFFFAOYSA-N 424.715 5.461 0 40 HKAB CCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1 2754080 JJZXENVPEILMCG-UHFFFAOYSA-N 414.461 5.622 0 40 HKAB COc1ccc(CN(C(=O)Nc2ccc(Cl)cc2)[C@H](C)Cc2cccs2)cc1 3289057 URIIPJGATSUFLH-MRXNPFEDSA-N 414.958 6.075 0 40 HKAB Cc1cccc(Nc2nnc(SCCCC(=O)c3ccc(F)cc3)s2)c1C 3292233 KXTIDWZMLQOQMH-UHFFFAOYSA-N 401.532 5.793 0 40 HKAB COc1ccc(NC(=O)[C@@H](OC(=O)c2sccc2C)c2ccccc2)cc1Cl 3314522 IIBOKEYXNPKNRV-SFHVURJKSA-N 415.898 5.255 0 40 HKAB Cc1cccc2cc(CN(C(=S)NCc3ccccc3)C3CCCCC3)c(=O)[nH]c12 4131825 CYOYYCHSNAKCKM-UHFFFAOYSA-N 419.594 5.046 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3nc(CNC4CCCCCCC4)[nH]c(=O)c23)C1 4901952 DDBRFNBAEOWAQD-OAHLLOKOSA-N 401.620 5.338 0 40 HKAB O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 5136255 RACJRPSFKBAZGQ-UHFFFAOYSA-N 410.926 5.176 0 40 HKAB C[C@H](Nc1ccccc1)[C@@H]1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1 5160755 RJOCGTBCVRCQJS-SSKFGXFMSA-N 404.897 5.114 0 40 HKAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc4c(c3)Cc3ccccc3-4)NC(=O)CCN21 5371526 KHRYABJOOCGWQA-OQQOWAPISA-N 420.556 5.593 0 40 HKAB Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Br)cc2)c1 5394218 RONLLGCJLRDOAN-NRFANRHFSA-N 407.311 5.837 0 40 HKAB COc1ccc(-c2nc(CSc3nnc(-c4ccccc4)o3)cs2)cc1OC 6054493 UOBSAONOBMXUTH-UHFFFAOYSA-N 411.508 5.170 0 40 HKAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccccc3C(F)(F)F)n2)cc1 6552110 WWCNORUSDPGHEU-UHFFFAOYSA-N 405.401 5.040 0 40 HKAB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 6616564 SCPJABMZZLHENK-FQEVSTJZSA-N 411.502 5.343 0 40 HKAB COc1cc(CCC(=O)Oc2ccc(Oc3ccccc3)cc2)cc(OC)c1OC 6640218 MUEYBHLUNNUJND-UHFFFAOYSA-N 408.450 5.043 0 40 HKAB COc1cc2c(cc1NC(=O)c1ccc(OC[C@@H]3CCCO3)cc1)oc1ccccc12 6790162 BHOKHIQPIZGWKB-SFHVURJKSA-N 417.461 5.405 0 40 HKAB CCN1C(=O)S[C@@H](Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)C1=O 6952399 JCBWLGWWCAVWHL-KRWDZBQOSA-N 410.322 5.199 0 40 HKAB O=C(O)/C(=C/c1cccc2ccccc12)Sc1nnc(-c2ccc(Cl)cc2)[nH]1 7603295 PWLGPEUJVUPOSS-PDGQHHTCSA-N 407.882 5.496 0 40 HKAB O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccccc1Oc1ccccc1 7851323 ZDELMJLAFIFTDK-UHFFFAOYSA-N 406.511 5.014 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)cc2)cc1 7928264 LMYTWSLBTZTGCM-KRWDZBQOSA-N 420.896 5.432 0 40 HKAB Cc1ccc(-c2nn(CC(=O)N(c3ccccc3)c3ccccc3)c(=S)o2)cc1 8550632 QAABAENWRQLPMZ-UHFFFAOYSA-N 401.491 5.546 0 40 HKAB COc1ccc(-c2c(-c3ccc(OC/C=C/c4ccccc4)cc3O)n[nH]c2C)cc1 8856435 ZPRARJGPFXWDTM-RMKNXTFCSA-N 412.489 5.859 0 40 HKAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2Cl)c1 9272374 KMCRJJZNKMGHDM-UHFFFAOYSA-N 402.881 5.337 0 40 HKAB Cc1nc2cc(NC(=O)c3cc(-c4ccc(F)cc4)nc4onc(C)c34)ccc2o1 9709929 MULYMMMPZHZUAV-UHFFFAOYSA-N 402.385 5.039 0 40 HKAB O=C(CCC(=O)c1ccc2ccccc2c1)Nc1ccc2c(c1)OC1(CCCC1)O2 9909883 NOLWVQGRJJGONL-UHFFFAOYSA-N 401.462 5.483 0 40 HKAB O=P1(NCCCn2ccnc2)C=C(c2ccccc2)SC(c2ccccc2)=C1 12523820 GZNDGCYFMZXLMS-UHFFFAOYSA-N 407.479 5.885 0 40 HKAB CCc1ccc2nc(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)sc2c1 14255280 LANAHFPUECMFAF-UHFFFAOYSA-N 405.479 5.265 0 40 HKAB Cc1cc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)n(-c2ccccc2C)n1 18194921 WHYMQGAUKKOVNL-XMMPIXPASA-N 413.546 5.961 0 40 HKAB O=C(c1ccccc1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19368773 MBBUANUXKNGJKZ-QHCPKHFHSA-N 421.504 5.260 0 40 HKAB CCOc1ccc(CN(Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1 19533175 SHMXDPWBQJFYIE-WIOPSUGQSA-N 405.542 5.190 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 20411266 AGEGFIPYQBQUAM-FRKPEAEDSA-N 424.544 7.394 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2CCc2ccccc2)cc1 20484603 DBHTXRXMKULYNX-AREMUKBSSA-N 401.550 5.998 0 40 HKAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN([C@@H]1CCCc2ccccc21)CO3 20610362 QEBWAYKHRDTLSH-XMMPIXPASA-N 409.485 5.690 0 40 HKAB biogenic O=C(O[C@H](Nc1ccc(Br)cc1)c1ccccc1)C(Cl)(Cl)Cl 22002760 OEINILRWBXRSSN-ZDUSSCGKSA-N 423.521 5.473 0 40 HKAB COc1ccc(CCC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1OC 22528384 OZESPODMNKCWFI-UHFFFAOYSA-N 421.562 5.876 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cc(F)ccc4C)cc3)n2)cc1 32578654 XKQOKPPZABVIML-UHFFFAOYSA-N 417.440 5.177 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(NC(=O)[C@@H](C)Oc4ccccc4F)cc3)n2)cc1 32623171 NAEXIDBTDXBINQ-MRXNPFEDSA-N 417.440 5.257 0 40 HKAB CC(=O)c1ccc(NC(=O)[C@H](C)SCc2csc(-c3ccc(F)cc3)n2)cc1 32778871 LQBMNGSOCLYQCO-AWEZNQCLSA-N 414.527 5.412 0 40 HKAB O=c1c2c(-c3ccccc3)csc2nc2n1CC/C2=C/c1ccccc1C(F)(F)F 33489313 CYOBQFQIBOCYLO-VBKFSLOCSA-N 424.447 6.088 0 40 HKAB Brc1ccc(-c2cnc(SCc3ccccc3)n2-c2ccccc2)cc1 44086143 NJOBNDTXGISRHS-UHFFFAOYSA-N 421.363 6.594 0 40 HKAB Cc1ccc2c(Nc3cccc(OC(F)(F)F)c3)c(C(=O)OC(C)C)cnc2n1 49004520 BXPMTGYVSOMETM-UHFFFAOYSA-N 405.376 5.146 0 40 HKAB O=S(=O)(c1ccc(F)cc1)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1 67335405 ZKWGJICQXOQLFW-UHFFFAOYSA-N 415.848 5.666 0 40 HKAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2cccc(C(F)(F)F)c2)cc1 72328999 JYLJTMZSAZSNPN-UHFFFAOYSA-N 417.431 5.204 0 40 HKAB Fc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN12 72333663 SKLIOORIKRLJSM-IRLDBZIGSA-N 423.285 5.831 0 40 HKAB C[C@H](C(=O)N1CCC[C@@H](c2[nH]c3ccccc3c2-c2ccncc2)C1)c1ccccc1 72396378 GIHZZZBIKKNKLD-SIKLNZKXSA-N 409.533 5.740 0 40 HKAB CCN(C(=O)Nc1cccc(OC(F)F)c1C)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 79067934 XEQXWAKJRPHZNF-PKOBYXMFSA-N 417.500 5.286 0 40 HKAB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@@H]3[C@@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)cc2)c1 101183494 DHMDNSWXOBKFEQ-ODLABSOGSA-N 405.494 5.047 0 40 HKAB COc1cccc(-c2c(NC(=O)c3ccc(Cl)cc3)oc3ccccc3c2=O)c1 101347740 BLQOMTYHBROSTN-UHFFFAOYSA-N 405.837 5.374 0 40 HKAB Cc1noc2c1[C@@H](c1ccc(O)cc1)C1=C(O)C[C@H](c3ccc(Cl)cc3)CC1=N2 102726478 CZKNMTLOUFCOHR-QVKFZJNVSA-N 406.869 5.950 0 40 HKAB Cc1cc(=O)c(C2=Nc3ccccc3S[C@@H](c3ccc(N(C)C)cc3)C2)c(O)o1 138449506 JYBFWVDKZFVLNR-OAQYLSRUSA-N 406.507 5.078 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccs2)N1c1ccc(OC2CCCC2)cc1 225360938 HECOVLDMSXXYOV-VXKWHMMOSA-N 421.591 5.642 0 40 HKAB COC(=O)c1cc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)ccc1Cl 225510662 SKPBSQBNMTVVMC-NRFANRHFSA-N 424.953 5.511 0 40 HKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccccc1C 225588918 VCOOWONAHHMIIR-JOCHJYFZSA-N 402.941 5.267 0 40 HKAB Cc1cc2cc(C(=O)N3CCC[C@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc2o1 257305934 SSDXFVIGYRPJGA-FQEVSTJZSA-N 414.480 5.962 0 40 HKAB CCOc1cc(C(=S)NCCc2ccc(OC)cc2)ccc1OCc1ccccc1 408572296 FWOWHPXLHRKDNV-UHFFFAOYSA-N 421.562 5.181 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(Cl)cc2)c1C 408696694 BGHHZRYOXUOVJM-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)c1 409137779 YRWICNWYJFEUSM-HAVVHWLPSA-N 416.546 5.763 0 40 HKAB Cc1ccccc1OCc1nn(CC(=O)Nc2cccc(Cl)c2Cl)c(=S)o1 409155479 RHWOSABYOONJGS-UHFFFAOYSA-N 424.309 5.039 0 40 HKAB COc1ccccc1OCc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 409175920 DTVHRIRULHPBGR-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB O=C(Nc1cccc2ccccc12)c1ccc(COc2ccc(Cl)cc2Cl)o1 409204337 FSEBQHSEAJFVAL-UHFFFAOYSA-N 412.272 6.571 0 40 HKAB CC(=O)O[C@H](C(=O)CC(C)C)/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)cc1O 514288314 SKUHMSDGVDBXSV-XORSZBJTSA-N 402.531 5.168 0 40 HKAB biogenic,in-vitro CCOc1cc(OC)ccc1-c1ccc(C(=O)O)c(COc2cccc(Cl)c2)n1 585264990 DFZKOELLFSFHPI-UHFFFAOYSA-N 413.857 5.087 0 40 HKAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)c1cc(O)nc2ccc(F)cc12 606165998 SRWRXCVHBRKFBB-XMMPIXPASA-N 412.420 5.345 0 40 HKAB O=C(Cc1ccccc1)N1CCCCCCCCN(C(=O)C2CC2)c2ccccc2C1 2037884886 FTAJKOMZFJRCCS-UHFFFAOYSA-N 418.581 5.355 0 40 HKAB Cc1ccc(CN2C(=O)N/C(=C\c3ccccc3Sc3ccccc3)C2=O)cc1 686759 FKQZHHVBEBEYBB-QNGOZBTKSA-N 400.503 5.239 0 40 HKAB O=C(Oc1ccc(Oc2ccc(OC(=O)c3cccs3)cc2)cc1)c1cccs1 728359 NFSVKQYWYBAMCX-UHFFFAOYSA-N 422.483 6.040 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccccc4Br)ccc3o2)c1 826449 KELUOPPTMJGPGU-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB C[C@H](CC(=O)Nc1ccc(I)cc1)Cc1ccc(Cl)cc1 831956 DMWPAKITKKUJKZ-LBPRGKRZSA-N 413.686 5.152 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 901573 KPPGHCPQQUDALK-UHFFFAOYSA-N 423.485 5.572 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c(O)c2)cc1 1053125 FMPDCPORENTRKZ-UHFFFAOYSA-N 402.450 5.143 0 40 HKAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)c3cccs3)c(Cl)nc12 1367590 XXTHNGGGSJRDMT-UHFFFAOYSA-N 406.938 6.101 0 40 HKAB C=Cc1ccc(COc2ccc3c(=O)c(Oc4ccc(OC)cc4)c(C)oc3c2)cc1 2153826 UTPIQBFDOLMVON-UHFFFAOYSA-N 414.457 6.124 0 40 HKAB biogenic CCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1Cl 2320057 NVMVSOGQOAGSAB-DQXPMQHSSA-N 401.937 6.602 0 40 HKAB Brc1ccc(OCCSc2nnc(C3CC3)n2-c2ccccc2)cc1 2623685 WRVIQHXKHQQKEE-UHFFFAOYSA-N 416.344 5.078 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@H]2C)cc1 2624013 YDLLRQNQVBCBQU-YLJYHZDGSA-N 421.570 5.131 0 40 HKAB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)NCCC3=CCCCC3)s2)cc1C 2637272 SKOGTGWOENPWCE-MRXNPFEDSA-N 416.616 5.386 0 40 HKAB Cc1sc2ncnc(S[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)c2c1C 2652380 DHWIFRDZIOIGKR-SECBINFHSA-N 413.355 5.129 0 40 HKAB Fc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4)cc2-3)OCCO5)cc1 2688834 GRUZWPNTVYQXGZ-UHFFFAOYSA-N 411.436 5.162 0 40 HKAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cccc(C)c4C)c3n2)cc1 2770423 GWFDZQQVNKHQMZ-UHFFFAOYSA-N 406.436 5.511 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1 3217623 IGFUDQPZLXHZEA-UHFFFAOYSA-N 415.533 5.822 0 40 HKAB O=C(COc1ccc2cc(Br)ccc2c1)c1ccc(OC(F)F)cc1 3291007 SDHJTQASMQZIHP-UHFFFAOYSA-N 407.210 5.465 0 40 HKAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2nc3ccccc3s2)s1 3307052 GIJWOGSIELQFRF-UHFFFAOYSA-N 421.547 5.114 0 40 HKAB O=C1OC(c2ccc(C(F)(F)F)cc2)=N/C1=C/c1ccc(Oc2ccccc2)cc1 3362946 RDKMGVVRGJCXIE-XSFVSMFZSA-N 409.363 5.842 0 40 HKAB Cc1ccc(NC(=O)CSc2cn(Cc3ccc(F)cc3)c3ccccc23)c(C)c1 3581539 XYWGJEXLIUVGRV-UHFFFAOYSA-N 418.537 6.176 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)N1OC[C@H]2COc3ccc4ccccc4c3[C@@H]21 4040109 JJJGNTWUQPBWDJ-JLTOFOAXSA-N 414.383 5.388 0 40 HKAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCC2 4349568 WGAXJNUWFITYPF-UHFFFAOYSA-N 409.938 6.072 0 40 HKAB CC(C)c1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3ncccn23)cc1 4734122 UTRUHBFWIVBIGP-UHFFFAOYSA-N 413.525 5.100 0 40 HKAB CC[C@H]1[C@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)C)cc1 4794243 WOCICPKRZGZPEY-OICBGKIFSA-N 412.577 7.038 0 40 HKAB Cc1ccccc1NC(=S)N(Cc1cc2ccc(C)c(C)c2nc1Cl)C1CC1 4973510 NXHOTAAPOBUWAD-UHFFFAOYSA-N 409.986 6.175 0 40 HKAB Cc1cccc(C(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccccc2Cl)c1 5545759 IMYICPNYWCSHCP-KRWDZBQOSA-N 403.913 5.537 0 40 HKAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cc2ccccc2o1 6356574 HFQSBXLTYZINOW-UHFFFAOYSA-N 406.511 5.059 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(-c2ccc(F)cc2)s1 6529846 BCKLSVBCMWGATI-UHFFFAOYSA-N 414.849 5.213 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)C(C)(C)C)cc3)nc2c1 6713334 DQRBJAYVUYYRIY-AWEZNQCLSA-N 409.555 5.867 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1ccccc1Cl 7343655 YDEMUJZWKUKWRJ-LJQANCHMSA-N 415.924 5.453 0 40 HKAB CCc1ccc(Nc2nnc(S[C@H](C)c3nnc(-c4ccccc4)o3)s2)cc1 7372073 CNLOFUPZTQUPKL-CYBMUJFWSA-N 409.540 5.747 0 40 HKAB CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CC1=O 7543372 MYPLWYYULIAWSM-FQEVSTJZSA-N 413.496 5.307 0 40 HKAB O=C(COc1cccc(F)c1)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 9510096 GIXNLPVGWBWNDM-UHFFFAOYSA-N 421.497 5.327 0 40 HKAB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccccc4)cc3)nc2c1 10119697 IWOYGQSMHBHOIC-UHFFFAOYSA-N 421.294 6.072 0 40 HKAB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 10542804 NNEXAICPDNOHTQ-UHFFFAOYSA-N 422.764 7.191 0 40 HKAB Cc1ccc(NC(=O)c2nnn(-c3ccc4noc(-c5ccccc5)c4c3)c2C)cc1C 11689941 NKZYFXZGQHBALI-UHFFFAOYSA-N 423.476 5.253 0 40 HKAB Cc1cc(C)c2nc(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)sc2c1 12378201 LTSFMULNEBPYMT-UHFFFAOYSA-N 421.572 6.504 0 40 HKAB CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2s1 12854420 CEDWTWQONARLJG-UHFFFAOYSA-N 408.310 5.594 0 40 HKAB CN(Cc1ccccc1Cl)Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S 13073806 HOJRSDNDUOGGDG-UHFFFAOYSA-N 421.957 5.208 0 40 HKAB C[C@@H]1CCc2sc(-c3nnc(S[C@H](C)c4nc5ccccc5c(=O)[nH]4)o3)cc2C1 13128123 XPKWSFVUOQMNMA-VXGBXAGGSA-N 424.551 5.013 0 40 HKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 13684955 VYTBQLXJNGAMBO-IBGZPJMESA-N 400.522 5.252 0 40 HKAB Cc1c(-c2ccccc2)c(=O)oc2c3c(ccc12)OCN(CCCc1ccccc1)C3 13724841 DWJXKFPTHNZEDD-UHFFFAOYSA-N 411.501 5.553 0 40 HKAB biogenic COc1ccccc1N(C(C)=O)c1nc(COc2ccc(F)cc2Cl)cs1 15709294 GTMOYBMPOZWIAW-UHFFFAOYSA-N 406.866 5.208 0 40 HKAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccc(F)cc4)ccc3c2C)cc1 15729362 DDQHPDJYYJYJNJ-UHFFFAOYSA-N 403.409 5.372 0 40 HKAB biogenic O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)N1CC[C@]2(O)CCCC[C@H]2C1 15954664 VXLZFOGJWKLCAK-AVRWGWEMSA-N 420.940 5.322 0 40 HKAB biogenic Cc1nc(Nc2nc(-c3ccccc3)cs2)ncc1C(=O)Nc1ccc(F)cc1 19819563 IMZOETXLLMKNOP-UHFFFAOYSA-N 405.458 5.044 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)ccc1Cl 20144279 AGPKQHXXSMYRCH-UHFFFAOYSA-N 406.265 5.072 0 40 HKAB CC(C)n1c(SCc2csc(Nc3ccccc3)n2)nc2ccccc2c1=O 25677148 PPPQEDYEBKNIAT-UHFFFAOYSA-N 408.552 5.470 0 40 HKAB Cc1ccc(C(=O)CCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1 32900614 NCFZEWVAPRDWDF-UHFFFAOYSA-N 401.466 5.241 0 40 HKAB COc1ccc(/C=C2/S/C(=N/c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1 35644534 ROXCBRXPAODWQJ-OVCLIPMQSA-N 412.820 5.259 0 40 HKAB COc1ccc(C2=NN3[C@H](c4ccccc4Cl)Oc4c(OC)cccc4[C@H]3C2)cc1 36352243 HRPPGUPDUYCTRY-QPPBQGQZSA-N 420.896 5.600 0 40 HKAB Cc1cc(C)c(NC(=O)CCCS(=O)(=O)Cc2cccc3ccccc23)c(C)c1 45350026 WXBABBFVVVHOCQ-UHFFFAOYSA-N 409.551 5.099 0 40 HKAB C[C@H]1CN(Cc2ccc(C(=O)Nc3ccccc3-c3cccs3)cc2)C[C@H](C)O1 46435210 DXQLGKZXOVYVCU-ROUUACIJSA-N 406.551 5.277 0 40 HKAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72215036 ZTDLPPDAYZROPM-GOSISDBHSA-N 419.566 5.695 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)cc1 72228708 MXEDSZLGHCNZGN-UHFFFAOYSA-N 420.538 5.367 0 40 HKAB CC(C)c1ccc(OCCc2cc([C@@H]3CCN(C(=O)C4CCCCC4)C3)n[nH]2)cc1 72371257 JEVIXKMDIOXMAL-OAQYLSRUSA-N 409.574 5.051 0 40 HKAB Cc1nc(N[C@@H](c2nnc3n2CCC3)C(C)C)c2c(-c3ccccc3)csc2n1 79063667 QGVSEBXHPIUXTP-LJQANCHMSA-N 404.543 5.014 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(CNC(=O)CCC5CCCCC5)(C4)C2)C3)cc1C 102224486 DPBADQNKSLHPHV-QULSYZCUSA-N 407.642 6.618 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4N5CCCN=C5CC[C@]4(C)[C@@H]3CC[C@]12C 104153730 GADHUERTDPPUEB-UJDGCMPMSA-N 424.717 7.699 0 40 HKAB C[C@@H](CCc1ccccc1Cl)NC(=O)c1cc(-c2ccnn2C)nc2ccccc12 141545688 NJSJPBXKKCTFCV-INIZCTEOSA-N 418.928 5.040 0 40 HKAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 197190651 JWMCNGZAHWTGLW-LBVOHCAPSA-N 412.508 6.375 0 40 HKAB O=C(CSc1c[nH]c2ccccc12)N1CCS[C@@H](c2ccccc2Cl)CC1 207000115 BFVWWHVKMOHOKT-LJQANCHMSA-N 416.999 5.620 0 40 HKAB CCOc1ccc(CCC(=O)Nc2ccccc2Oc2ccccc2)cc1OCC 216361513 PUEFBKSWZGEXFP-UHFFFAOYSA-N 405.494 5.848 0 40 HKAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NC(c1ccccc1)c1ccccc1 219464635 CIRUERLRHCPDOB-UHFFFAOYSA-N 420.512 5.486 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 223033380 NFLJCVPXODPYRA-OALUTQOASA-N 405.922 5.091 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223098804 SMNFHNPWSCYOJF-RPBOFIJWSA-N 401.550 6.144 0 40 HKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1Sc1ccccc1 223174232 HAMLCLMTYGRFDB-GOSISDBHSA-N 403.547 6.123 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccc(CN2CCCC2)cc1 224515109 UJOIPNOJJSXUPL-UHFFFAOYSA-N 423.409 5.139 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1OCC 225379678 ARVMGXDOWDZKRA-AWEZNQCLSA-N 410.341 5.601 0 40 HKAB O=C(c1cc2cc(Cl)ccc2oc1=O)N(Cc1ccccc1)Cc1ccccc1 226041799 DDEGXLYSFBRCRZ-UHFFFAOYSA-N 403.865 5.289 0 40 HKAB CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(F)cc2Cl)C1 257335274 YJKYRUJXMGFHDG-ZVDOUQERSA-N 410.316 6.010 0 40 HKAB COc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccc(C)cc1 408551668 FEWPASBOOSRNRX-UHFFFAOYSA-N 415.411 5.854 0 40 HKAB Cc1nc(-c2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)c(C)s1 408581218 VCWOLGROLFPSDW-UHFFFAOYSA-N 400.503 6.472 0 40 HKAB CCCc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccc(C)cc1 408834554 VIYDQZQZDOLXLU-UHFFFAOYSA-N 405.350 6.630 0 40 HKAB Cc1c(Cl)cccc1NC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 409051670 FNLSXJSONFFVSK-UHFFFAOYSA-N 412.961 5.437 0 40 HKAB CCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)ccc1OCc1ccccc1F 409118304 PRLCMDPXAKFYNC-QNGOZBTKSA-N 417.480 5.711 0 40 HKAB Cc1ccccc1N(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 409382637 WAUPGANSSZSKJM-UHFFFAOYSA-N 406.334 5.697 0 40 HKAB COc1ccc([C@@H](C)CC(=O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)cc1 507275685 BSBLGYVDVRZZQM-FDDCHVKYSA-N 403.526 5.333 0 40 HKAB CCOc1ccc(C[C@@]2(C)CCc3cc(-c4cccc(C(=O)O)c4)ccc3O2)cc1 585265934 YJCGTPCLHQRHAO-AREMUKBSSA-N 402.490 5.777 0 40 HKAB Nc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)sc2nc3c(cc12)CCC3 691668 MMDVXULYPXJZAX-UHFFFAOYSA-N 401.491 5.412 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccc(Cl)cc1 716796 LRQSNDMCVADVKH-UHFFFAOYSA-N 401.224 6.193 0 40 HKAB Cc1ccc2oc(-c3cccc(NC(=O)c4ccccc4Br)c3C)nc2c1 822646 HWNUSYSHOYMMJA-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(I)cc1 830131 LACZSMJNIRPCHR-UHFFFAOYSA-N 411.242 5.115 0 40 HKAB COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12 996663 JAIDLXNGYWQMIS-UHFFFAOYSA-N 402.475 5.311 0 40 HKAB CCOc1cc2c(cc1OCC)[C@H](c1ccccc1)N(c1ccc(OC)cc1)C(=O)C2 1322760 TUTSOCBJGXIYGY-SANMLTNESA-N 417.505 5.171 0 40 HKAB biogenic Cc1sc2nc(C3CC3)nc(SCC(=O)N3CCCc4ccccc43)c2c1C 1377425 RIYCKRHBXUCEJX-UHFFFAOYSA-N 409.580 5.257 0 40 HKAB CCCCOC(=O)COc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1 1772388 MYACENXNWWQWEJ-UHFFFAOYSA-N 418.445 5.461 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 1863943 MRNDZKVOTFPGBO-UHFFFAOYSA-N 420.475 6.127 0 40 HKAB CC(C)(C)c1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc(C(C)(C)C)c1O 2054708 OVCNLSXWIPHGOP-CPNJWEJPSA-N 411.929 5.985 0 40 HKAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc2c(c1)CCC2 2653187 WFXXVYPSIAVCTR-HSZRJFAPSA-N 418.924 5.329 0 40 HKAB Cc1ccc(OC(F)F)c(C(=O)CSc2nnc(NCc3ccccc3)s2)c1 3368638 CQYUDXWJNADZOI-UHFFFAOYSA-N 421.494 5.035 0 40 HKAB O=C(CNc1ccc(Br)c(C(F)(F)F)c1)Nc1ccccc1Cl 3413378 LXJLUYWPHRBNIK-UHFFFAOYSA-N 407.617 5.172 0 40 HKAB CC[C@H]1CCCCN1C(=O)CSc1nc(C2CC2)nc2sc3c(c12)CCCC3 4217323 DMKIZNBZSAELLL-HNNXBMFYSA-N 415.628 5.331 0 40 HKAB COc1cc2c(cc1NC(=O)c1ccccc1CCc1ccccc1)oc1ccccc12 4694422 YFTJSVOAFGERSY-UHFFFAOYSA-N 421.496 6.632 0 40 HKAB C=Cc1ccc(CN2C(=O)N(c3ccc(CC)cc3)S(=O)(=O)c3ccccc32)cc1 5043438 XJZBBPXMIJJFTC-UHFFFAOYSA-N 418.518 5.228 0 40 HKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3C/C=C/c3ccccc3)CC2=O)c1 5156440 VKWRFOICYDVFJO-UBQCRTFRSA-N 407.517 5.579 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 5358135 GKWHEROKQTYNCG-UHFFFAOYSA-N 404.948 5.034 0 40 HKAB COc1ccc([C@H](NC(=O)N2c3ccccc3Sc3ccccc32)C2CC2)cc1 5720559 DTEKQVUYGASVTR-HSZRJFAPSA-N 402.519 6.159 0 40 HKAB Cc1cc(Nc2nc3ccccc3nc2Nc2cccc(O)c2)n(-c2ccccc2)n1 6044148 VRIHGMOLEYVDMQ-UHFFFAOYSA-N 408.465 5.317 0 40 HKAB Cc1cc(NC(=O)COc2ccccc2Cc2ccccc2)ccc1Br 6377443 SGPGRPCOFOPWKZ-UHFFFAOYSA-N 410.311 5.366 0 40 HKAB CN(C(=O)/C=C/c1cccc(Cl)c1)[C@@]1(c2ccccc2Cl)CCCCC1=O 6508791 PTGRRKWBVIZDBM-CHHLAKQQSA-N 402.321 5.504 0 40 HKAB CCOc1ccc(C(=O)Oc2cc(-c3ccc(F)cc3)c3oc(=O)sc3c2)cc1 6809698 GKGMHPKGHAUHQR-UHFFFAOYSA-N 410.422 5.279 0 40 HKAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cc3ccccc3s2)cs1 7413044 FBZYWJYCFMFSBN-UHFFFAOYSA-N 408.504 5.399 0 40 HKAB CCn1c(SCc2cc3ccccc3nc2Cl)nnc1-c1ccc(OC)cc1 8036445 WUZQQQRKNNMYOF-UHFFFAOYSA-N 410.930 5.468 0 40 HKAB COc1cc(CNCc2cccs2)ccc1OCc1c(Cl)cccc1Cl 8471308 IBDWNOPCLIFBLK-UHFFFAOYSA-N 408.350 5.932 0 40 HKAB CCOc1cccc(-c2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)c1 8914058 LEOZOTSLMVWZQX-UHFFFAOYSA-N 409.298 5.555 0 40 HKAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3cccc(Br)c3)ccc1O2 9135013 NDCNUZPHCOTRTN-UHFFFAOYSA-N 423.266 5.368 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2C)cc1Cl 9252466 SSJRNMSSBYASSI-UHFFFAOYSA-N 419.264 5.408 0 40 HKAB C[C@H]1CCc2sc(-c3nnc(S[C@H](C)c4nnc(-c5ccccc5)o4)o3)cc2C1 9256811 YALDDZCJHVZPQO-QWHCGFSZSA-N 424.551 5.826 0 40 HKAB Cc1cccc(C)c1NC(=O)c1nc(SCc2ccc(Cl)cc2)ncc1Cl 9304538 FKDSQGJONPEBJU-UHFFFAOYSA-N 418.349 5.945 0 40 HKAB CC(C)c1nc2sc3c(=O)n(Cc4ccccc4)cnc3c2c2c1COC(C)(C)C2 9422555 WRDGBUZOVCQTPA-UHFFFAOYSA-N 419.550 5.029 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2C)cc1Cl 10119194 DUVWWAMTXMXLHQ-UHFFFAOYSA-N 418.880 5.398 0 40 HKAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc(Br)cc1F 10427440 BSTAFOQKBGVGGI-UHFFFAOYSA-N 410.246 5.179 0 40 HKAB CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 12276108 UYJMAOUZBPZVAZ-ILBGXUMGSA-N 400.478 5.336 0 40 HKAB Cc1ccc(C)c(CN2[C@H](c3ccccc3Cl)Nc3ccccc3S2(=O)=O)c1 12414850 VTBTWRMQVLGLLL-JOCHJYFZSA-N 412.942 5.272 0 40 HKAB O=C1C[C@@H](c2ccsc2)c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N1 13518356 DJXNGLAEVPMYOO-SFHVURJKSA-N 405.910 5.728 0 40 HKAB Cc1oc2cc(OC(=O)[C@H]3CC=CCC3)ccc2c(=O)c1-c1c(F)cccc1Cl 15317660 ZLHRLRBEHVIURF-AWEZNQCLSA-N 412.844 5.823 0 40 HKAB CC(C)c1ccc(N2C(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)cc1 15827303 DKMMQYYUFOTBRE-UHFFFAOYSA-N 424.497 5.285 0 40 HKAB Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(-c3ccc(Cl)cc3)s2)c1C 18041092 OQWMRRHXVUOESM-UHFFFAOYSA-N 412.942 5.396 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl 20141320 AKJYJLURNVXPAR-UHFFFAOYSA-N 409.052 5.259 0 40 HKAB Cc1ccccc1[C@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 20450134 CAUXBQZWHLLPJJ-CJFMBICVSA-N 401.550 5.966 0 40 HKAB CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCCC1 28288679 JCECYPCEJQZRCP-HSZRJFAPSA-N 408.586 5.340 0 40 HKAB COc1cc(/C=C2\SC(=S)N=C2O)cc(Cl)c1OCc1ccccc1F 32109514 UCTPPAMFXOGWSC-NVNXTCNLSA-N 409.891 5.396 0 40 HKAB Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)Nc1cccc2ccccc12 32610194 ONLWQSTWRJSUGG-UHFFFAOYSA-N 404.445 5.473 0 40 HKAB Brc1ccc(-c2csc(Cc3nc(-c4cccs4)no3)n2)cc1 33171490 JLJKKLOJMLIACM-UHFFFAOYSA-N 404.314 5.275 0 40 HKAB O=C(CSc1nc(COc2ccccc2)nc2ccccc12)Nc1cccc(F)c1 35292056 KNAKUXRKEQSYAO-UHFFFAOYSA-N 419.481 5.079 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 39773453 YSCLOFJOLYZQKB-UHFFFAOYSA-N 420.940 5.983 0 40 HKAB CCc1ccc([C@@H](NCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)C(C)C)cc1 57849697 DMQBNTYHDYMJQD-VWLOTQADSA-N 418.585 5.285 0 40 HKAB CC[C@H](NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 59292194 FMFJEAFOOKAWQL-OALUTQOASA-N 400.906 5.109 0 40 HKAB O=C(CCn1c(-c2ccccc2)cc2ccccc21)NC[C@@H]1CCCN2CCCC[C@H]12 85879013 GAUQXGMJINWQCW-BJKOFHAPSA-N 415.581 5.079 0 40 HKAB biogenic Cc1c(-c2nnc3sc(-c4cccc(Cl)c4Cl)nn23)oc2ccccc12 96194147 PQISVHVHJDAJPF-UHFFFAOYSA-N 401.278 5.881 0 40 HKAB COc1cc(OC)cc(C(=O)NCC23C[C@@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)c1 100648348 LWSNIMXJLZJDIY-LNXYEHLSSA-N 419.565 5.280 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)c1cccc(I)c1 145754981 LYUMHDHARKSMQP-UHFFFAOYSA-N 415.230 5.336 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1OCc1ccccc1)CC(C)(C)O2 218987696 CKTFPPVAQVZBDK-QFIPXVFZSA-N 417.505 5.306 0 40 HKAB O=C(NCCSCc1ccccc1)c1cccc(OCc2ccccc2Cl)c1 219837352 YVBQFZAVWCZGMX-UHFFFAOYSA-N 411.954 5.582 0 40 HKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223128703 KLFCUJFSEQQYCX-CYBMUJFWSA-N 409.898 5.418 0 40 HKAB Cc1ccc(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1Cl 225803779 PUCYNIWTWCGZEW-UHFFFAOYSA-N 409.795 5.289 0 40 HKAB C[C@@H](CCN1CCC[C@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 257299482 RQGPYPBCJMDQSU-FPOVZHCZSA-N 409.574 5.110 0 40 HKAB CCCc1s/c(=N\C(=O)c2ccccc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408562168 NROHJQOCZFRBIY-FLFQWRMESA-N 419.377 6.237 0 40 HKAB COc1cccc(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1 408627476 MSGQBWSEFJXFBJ-UHFFFAOYSA-N 422.333 5.398 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)c(C)c1 408693564 ACGKPAKEBQMYAB-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCCCOc1ccc(C(=O)/N=c2\sc(CC)c(-c3ccc(F)cc3)n2C)cc1 409206636 ZBQFEESDUOLYMG-BZZOAKBMSA-N 412.530 5.375 0 40 HKAB O=C(COc1ccc(CNc2ccc(Cl)cc2)cc1Cl)Nc1ccccc1 409247939 FEKILKUVTMOMBD-UHFFFAOYSA-N 401.293 5.623 0 40 HKAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 2037845914 HOLLFAATEQLWNO-QFIPXVFZSA-N 421.447 5.392 0 40 HKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=S)NC3CCCCC3)C3CCCC3)cc12 878668 GMJFWDVCRYJHMK-UHFFFAOYSA-N 411.615 5.097 0 40 HKAB CN(C(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)C1CCCCC1 901471 SEZNUHHAPLSUBG-UHFFFAOYSA-N 415.506 5.107 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Sc2ccccc2)cc1 959107 PHLWPMPGOFQTKR-UHFFFAOYSA-N 423.481 5.966 0 40 HKAB COc1ccc(NC(=O)c2c(Sc3ccc(C)cc3)n(C)c3ccccc23)cc1 1389601 HRYQVPKINZYOTJ-UHFFFAOYSA-N 402.519 5.899 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1838857 MPVSTQCUNFCXFN-GORDUTHDSA-N 424.633 6.326 0 40 HKAB O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc(-c2ccccc2)cc1 2134239 NWBSPYVKFIHJNX-UHFFFAOYSA-N 401.318 5.787 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 2252154 NCCAHTNGYGUJCQ-UHFFFAOYSA-N 400.478 5.810 0 40 HKAB CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCC(C)CC2)sc(C)c1C 2366620 OHONFCFZQAOFJI-UHFFFAOYSA-N 424.570 5.465 0 40 HKAB O=C(Cc1c(Cl)cccc1Cl)Oc1ccccc1-c1nc2ccccc2s1 2616077 FXOQWILAVBUXGA-UHFFFAOYSA-N 414.313 6.418 0 40 HKAB Cc1nc(S[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc(C)c1C 2623814 PIWNXVVARINBOL-NSHDSACASA-N 403.857 5.193 0 40 HKAB CCOC(=O)c1sc2nc(C)nc(Nc3ccc(SC(F)F)cc3)c2c1C 3255203 LYWCCZMRYAJVOF-UHFFFAOYSA-N 409.483 5.543 0 40 HKAB C[C@H](OC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)c1ccc(F)cc1 3486712 XJLSBMFSOVZOGD-ZDUSSCGKSA-N 411.885 6.674 0 40 HKAB CN1[C@H]2CC[C@@H]1C=C(N(CCc1ccccc1)C(=O)c1ccc(-c3ccccc3)cc1)C2 4256158 ZRNVQJAGAFWHLN-SXOMAYOGSA-N 422.572 5.789 0 40 HKAB Cc1ccc(C2=NN(C(=O)Nc3cccc(Cl)c3)[C@H](c3ccc(C)cc3)C2)cc1 4666095 LNHZTLNSARLWBQ-QHCPKHFHSA-N 403.913 6.340 0 40 HKAB COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)C(C)(C)C)c3ncnn32)cc1 4816803 ZTFCACHHKVYBFZ-PMACEKPBSA-N 424.932 5.054 0 40 HKAB S=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)Nc1cccc(Br)c1 4925185 CPOGCOYGRZGNAV-UHFFFAOYSA-N 414.372 5.296 0 40 HKAB COc1cccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(OC)cc23)c1 4970289 QXKQRAAXAHRYDU-UHFFFAOYSA-N 415.880 5.911 0 40 HKAB COc1ccccc1C1=NN(c2cc(Cl)ccc2Cl)[C@@H](c2ccc(F)cc2)C1 5003173 KFPFGVQVUCSLKW-HXUWFJFHSA-N 415.295 6.497 0 40 HKAB COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1OC 5148781 IPPSIFHJWORXBT-UHFFFAOYSA-N 416.477 5.354 0 40 HKAB COc1ccc(C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)cc1 5445023 MAEVEGQVHKULCU-XNEFFQLISA-N 422.528 6.132 0 40 HKAB COc1cc(/C=C/C(=O)O)cc(Br)c1OCc1cccc2ccccc12 6145575 YLPOSCWZIYZGAP-MDZDMXLPSA-N 413.267 5.288 0 40 HKAB COc1ccc(-c2csc3ncnc(Oc4ccc(CCC(C)=O)cc4)c23)cc1 6558233 LNMZTGFNYFXGJX-UHFFFAOYSA-N 404.491 5.681 0 40 HKAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1c(Cl)cccc1Cl 6560210 HYIPBFYPVWBXHK-UHFFFAOYSA-N 411.339 5.319 0 40 HKAB O=C(COC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccc2ccccc2c1 6595372 DIFSFXRFULRUQG-UHFFFAOYSA-N 409.441 5.132 0 40 HKAB COc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1 6973828 MDFJMRKTJJPXAV-UHFFFAOYSA-N 423.299 6.470 0 40 HKAB CCN(Cc1ccccc1)Cc1c(C)nc2ccc(OCc3ccccc3)cc2c1O 8573235 XFOQRACRUBXFDP-UHFFFAOYSA-N 412.533 5.850 0 40 HKAB COc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)c(Cl)c1Cl 10112653 KTEFRALSAOQUTI-UHFFFAOYSA-N 416.326 5.124 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCC(c2c[nH]c3ccccc23)CC1 10140234 BQKQPZJFJFQQJF-HNNXBMFYSA-N 411.933 5.037 0 40 HKAB COc1cccc(-c2nc(CSc3nnc(-c4c[nH]c5ccccc45)o3)cs2)c1 11348115 SIIHALSWRKRUAH-UHFFFAOYSA-N 420.519 5.642 0 40 HKAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 11916479 QJZKUJXBMUPXAE-UHFFFAOYSA-N 416.321 5.103 0 40 HKAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3cc(Cl)ccc3C)c3ccccn23)cc1 12342161 IRUKIGSLUIKHCH-UHFFFAOYSA-N 417.896 5.275 0 40 HKAB CCCc1cc(CCC)n2cc(Cc3cn4c(CCC)cc(CCC)nc4n3)nc2n1 12561826 SIXXFORMXOQCQJ-UHFFFAOYSA-N 418.589 5.173 0 40 HKAB COc1ccc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1OC(F)F 12740130 PTGNHHJKMBWDCN-UHFFFAOYSA-N 410.829 5.326 0 40 HKAB Cc1csc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)n1 12774772 CZYQHKMIDGPAMD-ZDUSSCGKSA-N 405.595 5.045 0 40 HKAB O=C(Nc1ccccc1SCc1ccsc1)c1cc(F)c(Cl)cc1Cl 12938012 PKCXGHQMGQHLQL-UHFFFAOYSA-N 412.338 6.739 0 40 HKAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccnn1C1CCCCC1 13072858 IJFFFIWNFUQFLU-UHFFFAOYSA-N 402.709 5.366 0 40 HKAB CCc1nnc(NC(=O)Cc2nc(-c3ccccc3)sc2-c2ccc(C)cc2)s1 13141504 LCDFNAZCGPFKRQ-UHFFFAOYSA-N 420.563 5.381 0 40 HKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 13686761 SQHMNNSJFHARAT-MRXNPFEDSA-N 417.534 6.050 0 40 HKAB COc1ccc(-n2c(CNc3cc(C(F)(F)F)ccc3Cl)n[nH]c2=S)cc1 13992120 GMWOCJKJHUUJQP-UHFFFAOYSA-N 414.840 5.223 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)cc1 14155683 LBMPEOWSHMSYMP-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4n3C(F)F)cc2)cc1 14709262 DAOQDSWHKFXXSA-UHFFFAOYSA-N 423.419 5.125 0 40 HKAB Fc1ccccc1COc1ccc2ccccc2c1CNCc1ccc2c(c1)OCO2 16525991 VXFCVDHFVQIYRN-UHFFFAOYSA-N 415.464 5.576 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 17093280 KNDPGNWKUXBKRF-UHFFFAOYSA-N 422.695 6.700 0 40 HKAB O=C([C@H]1CC12CCC2)N1CCC[C@H](c2nc(Nc3cccc(F)c3)n3ccsc23)C1 19294194 UHXYHTUKAMTTGT-MAUKXSAKSA-N 424.545 5.175 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccccc2Cl)cc1OCC 20451574 YYQYEPUMHXDFKP-YJBOKZPZSA-N 405.922 5.172 0 40 HKAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(c1ccccc1)c1ccccc1 21000841 ARSAFYAKWDJLBL-UHFFFAOYSA-N 412.514 5.285 0 40 HKAB COc1cc2nc(NC(=O)c3cc(F)c(Cl)cc3Cl)sc2cc1OC 25060381 QOFIYTXNUPRKGF-UHFFFAOYSA-N 401.246 5.012 0 40 HKAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1C 30861997 NMNNPMYJMXEEMR-UXHICEINSA-N 416.521 5.200 0 40 HKAB CCOC(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1Cl 30871195 RMNGDSMBNZCARU-UHFFFAOYSA-N 407.897 5.677 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 32957645 LTFHYSPZIBOADK-UHFFFAOYSA-N 407.326 5.126 0 40 HKAB CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccc(C)c(Cl)c1 41078092 GKNNDIKUBHVCAW-UHFFFAOYSA-N 411.933 5.551 0 40 HKAB CCOC(=O)CSc1ncc(-c2ccc(C)cc2)n1-c1ccc(OC(F)F)cc1 44088164 CSVPVUTZHJTAQC-UHFFFAOYSA-N 418.465 5.104 0 40 HKAB COc1cccc2c(Nc3ccc(C(C)C)cc3)cc(C(=O)N3CCSCC3)nc12 49003056 CEPFEQFJYQTMLA-UHFFFAOYSA-N 421.566 5.299 0 40 HKAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)NC3CCCCC3)C3CCCCC3)cc2c1 57581577 VJLFUEPOAMUKLA-UHFFFAOYSA-N 409.574 5.322 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)c(C)c1 59267935 FIPRRGIVHAIZIU-UHFFFAOYSA-N 408.310 5.391 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(C)c(Cl)c3)oc12 67293635 QLGJIEHUDJOAKS-RWEWTDSWSA-N 419.868 5.283 0 40 HKAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72214955 VARSQZHWALDXGL-OAQYLSRUSA-N 423.557 5.599 0 40 HKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1Cc1ccccc1 72215276 ZUWCYXVWOUHCCO-NZQKXSOJSA-N 423.601 6.349 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1Cl 72229989 WDNKUGPJFRORLQ-OAQYLSRUSA-N 416.304 5.726 0 40 HKAB CC(C)NC(=O)c1cc2ccc(-c3ccc(C(F)(F)F)cc3)cn2c1-c1cocn1 96155506 QHTJVCPKEMFSQC-UHFFFAOYSA-N 413.399 5.418 0 40 HKAB O=C(Nc1cccc2c(NC(=O)C3[C@H]4CCCC[C@@H]34)cccc12)C1[C@H]2CCCC[C@H]12 100044799 HUUNVNZQBWVCGT-UFJNJCFWSA-N 402.538 5.589 0 40 HKAB COC(=O)N1CCCc2cc(NC(=O)CC34CC5C[C@](C)(C3)C[C@](C)(C5)C4)ccc21 100228175 KXTKHVFTXXIWNP-RPLYAUGCSA-N 410.558 5.531 0 40 HKAB Cc1coc2cc3oc(=O)c(CCC(=O)N4C[C@@]5(C)C[C@H]4CC(C)(C)C5)c(C)c3cc12 100789110 XCLMNFANGATWRU-QUGAMOGWSA-N 421.537 5.516 0 40 HKAB biogenic O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 103718422 FFGUOHOZJOPHLA-SECBINFHSA-N 418.107 5.292 0 40 HKAB C[C@@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)[C@@H]1C[C@H]2CC[C@H]1C2 103961960 BVAJBDQPCQRYPJ-FUKQBSRTSA-N 414.549 5.882 0 40 HKAB BrC12c3ccccc3C(Br)(c3ccccc31)c1ccccc12 104104934 CNDDGRGWKZZDNC-UHFFFAOYSA-N 412.124 5.687 0 40 HKAB O=C(Nc1c(Cl)cccc1Cl)C(=O)c1c(-c2ccccc2)cc2ccccn12 147886402 DWOOEPIPZVQIOI-UHFFFAOYSA-N 409.272 5.735 0 40 HKAB Cn1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c2ccccc21 214405845 ZACWTEPJJQKHNN-QGMBQPNBSA-N 417.317 5.722 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 216312212 IURBVJCSRRZONB-SFHVURJKSA-N 407.819 6.308 0 40 HKAB C[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc2c(c1)CCCC2 222958319 LDJCMODIYZEILL-SFHVURJKSA-N 419.952 6.289 0 40 HKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccccc2)c1C 222961695 XGCQWZKBJIQMDZ-DNQXCXABSA-N 418.610 5.321 0 40 HKAB Cc1cccc(Nc2ccc(NC(=S)NCc3ccc(-c4ccccc4)o3)cn2)c1 223912419 AFVPDNSYSWXEMP-UHFFFAOYSA-N 414.534 5.880 0 40 HKAB COc1ccc(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)c(OC)c1 225267322 OJILTHLYFJDERW-UHFFFAOYSA-N 407.857 5.153 0 40 HKAB CCCCc1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)cc1 225785940 GXLINSLCPFYSEV-UHFFFAOYSA-N 416.344 5.563 0 40 HKAB Cc1cc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc2o1 257305935 SSDXFVIGYRPJGA-HXUWFJFHSA-N 414.480 5.962 0 40 HKAB Cc1cccc(C(=O)N[C@@]2(C)C[C@@H](c3cccc(Cl)c3)O[C@H]3C[C@@H](C)CC[C@@H]32)c1 257313995 UUYPHKJAPDIAPM-YXAWXADKSA-N 411.973 6.103 0 40 HKAB COCCC(=O)N[C@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2cccc(Cl)c2)C1 257339533 ZCCZWQDXCUNQMG-XVAYZXCPSA-N 422.352 5.498 0 40 HKAB CCn1cc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c2ccccc21 408633650 LFDXFKSZJDDGEJ-WQRHYEAKSA-N 424.913 5.318 0 40 HKAB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1cccc2ccccc12 408973041 XXWIXHBSFUKSCB-LICLKQGHSA-N 424.308 6.706 0 40 HKAB CC(C)(C)OC(=O)N1CCC(CCCN(Cc2ccccc2)Cc2ccccc2)CC1 498051084 NSZJOKFAHMAWKK-UHFFFAOYSA-N 422.613 6.116 0 40 HKAB O=C(NCc1noc2c1CCCC2)c1ccccc1-c1ccc(C(F)(F)F)cc1 569526109 ZHYUHGVAHNDOEE-UHFFFAOYSA-N 400.400 5.169 0 40 HKAB CC(C)c1nc(COc2ccc(Cl)cc2)c(C(=O)O)cc1-c1ccc(Cl)cc1 585265064 FERCCCPTWNIBNE-UHFFFAOYSA-N 416.304 6.456 0 40 HKAB CC(C)Cc1ccc(C[C@@]2(C)CCc3ccc(-c4ccc(C(=O)O)cc4)cc3O2)cc1 585265782 QBNFHQWUIDJRLB-MUUNZHRXSA-N 414.545 6.577 0 40 HKAB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775977259 HWPBBSHEVSLHLC-IBGZPJMESA-N 419.468 5.216 0 40 HKAB CCc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 650783 XCIYKTUWRCQYQY-UHFFFAOYSA-N 417.456 5.456 0 40 HKAB Cc1ccc(-c2csc(N(C[C@H]3CCCO3)C(=O)c3cccc(Cl)c3)n2)cc1 932703 POVXRRJBOYKOLL-LJQANCHMSA-N 412.942 5.598 0 40 HKAB O=C1c2ccccc2N[C@H](c2ccc3cccnc3c2)N1c1cccc(C(F)(F)F)c1 1072792 VVYBDEAKSJUUBB-QFIPXVFZSA-N 419.406 6.025 0 40 HKAB CCCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(C)cccc23)cc1 1777812 DCBBUDNVWAUBGD-UHFFFAOYSA-N 406.482 5.420 0 40 HKAB CCCCCCOC(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1917325 YXWAGSLJOHLIGO-UHFFFAOYSA-N 409.313 6.375 0 40 HKAB c1ccc(CSc2nc(SCc3ccccc3)c3c4c([nH]c3n2)CCCC4)cc1 2288097 VUBOLPYGKAIPFE-UHFFFAOYSA-N 417.603 6.421 0 40 HKAB CCOC(=O)c1c(NC(=O)/C=C/c2cccc3ccccc23)sc2c1CCCC2 2313820 ZGGDWXRYQTVTLP-CCEZHUSRSA-N 405.519 5.609 0 40 HKAB CCN(CC)CCCNc1nc(SC(C)C)nc2sc3c(c12)CC(C)(C)OC3 2333087 BAMARGBQGCAFBL-UHFFFAOYSA-N 422.664 5.187 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2659199 BGCXCUPCJJUOOE-UHFFFAOYSA-N 409.329 6.644 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Nc1ccccc1)c1ccccc1 3357311 BJUFMWXJZPDYSO-IBGZPJMESA-N 404.819 6.151 0 40 HKAB CC[C@H](c1nnc(SCc2nc3ccccc3s2)n1Cc1ccccc1)N(C)C 3504342 JZZHCEZHFTYGOK-GOSISDBHSA-N 423.611 5.241 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2nnc(SCc3cccc(F)c3)s2)cc1 4078322 GVAQSQKMLZIOSN-UHFFFAOYSA-N 401.532 5.519 0 40 HKAB CCCCCC1CCC(c2ccc(-c3noc(-c4ccc(OC)cc4)n3)cc2)CC1 4602446 GEQHBEABPVCLFA-UHFFFAOYSA-N 404.554 7.266 0 40 HKAB Cc1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c(C)c1 4682353 YSMSCKPRKYDLJB-UHFFFAOYSA-N 413.340 5.346 0 40 HKAB Cc1cccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)c1 5458502 DUTDQQWIKOWTKM-UNMCSNQZSA-N 418.338 6.254 0 40 HKAB CC(=O)Nc1cccc(C2=Nc3ccccc3S[C@@H](c3ccccc3Cl)C2)c1 6293863 MQKCDXHGMHZWDI-HSZRJFAPSA-N 406.938 6.656 0 40 HKAB CC(C)(C)c1ccc(OCCOc2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2)cc1 6323521 HYHVZESCKVGRSJ-UHFFFAOYSA-N 414.505 5.345 0 40 HKAB CC(C)c1ccccc1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 6377518 VJLODLZXZWTMGH-UHFFFAOYSA-N 401.462 5.230 0 40 HKAB Cc1ccc2cccc(OS(=O)(=O)c3ccc(Cl)c(Cl)c3Cl)c2n1 6485705 VQWABCCRPSFPRQ-UHFFFAOYSA-N 402.686 5.271 0 40 HKAB Cc1ccc(NC(=S)N/C=C(/c2ccccc2)[S@](=O)Cc2ccccc2)c(C)c1 6714743 CJSDAIJCUJJYKE-QOLOIHPDSA-N 420.603 5.537 0 40 HKAB Cc1ccc2c(=O)cc(C(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)oc2c1 6811421 CZSNUJPKGGSCEJ-UHFFFAOYSA-N 407.853 5.190 0 40 HKAB C=CCOc1ccccc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)O 7603197 XKJUQYVHXHPUCJ-ATVHPVEESA-N 414.870 5.173 0 40 HKAB C[C@@H](Sc1nn(-c2ccc(F)cc2)c(=S)s1)C(=O)c1ccc2c(c1)CCC2 7780285 WYGYATMQPVZARS-GFCCVEGCSA-N 416.568 5.655 0 40 HKAB O=C(CCCSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1cccs1 7790799 WPLPOWLMMWLPAY-UHFFFAOYSA-N 408.552 5.578 0 40 HKAB O=C(Nc1ccccc1)C1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 7924744 UJPOKBVAOVCRSD-UHFFFAOYSA-N 412.533 5.086 0 40 HKAB COc1ccc(-c2nnc(SCC(=O)N(c3ccccc3)C3CCCCC3)o2)cc1 8129214 HTFNSJVFFZFBBI-UHFFFAOYSA-N 423.538 5.203 0 40 HKAB c1ccc(-c2cc(CSc3nnc(-c4ccco4)n3C3CCCCC3)no2)cc1 8185093 VXPBSEUQSLKGOJ-UHFFFAOYSA-N 406.511 5.991 0 40 HKAB Cc1ccc(Cl)cc1-n1nc(C(=O)NC2CCCCC2)nc1-c1ccc(F)cc1 8476764 KKGKSULMTCKTNK-UHFFFAOYSA-N 412.896 5.098 0 40 HKAB c1ccc(-c2nc3n(-c4ccccc4)c(-c4ccccc4)cn3c2-c2ccccc2)cc1 8649113 LXMREQOEQCRRRE-UHFFFAOYSA-N 411.508 7.126 0 40 HKAB Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 9062747 PRGNKIORBPDPNO-QGZVFWFLSA-N 402.941 5.185 0 40 HKAB O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2cccc(Cl)c2)CC1 9063289 YPKOBVVCONTKJZ-UHFFFAOYSA-N 411.760 5.175 0 40 HKAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1ccc(F)cc1Cl 9107415 WXDZMXIRPDTVRL-UHFFFAOYSA-N 408.860 5.211 0 40 HKAB COc1cccc(Oc2cn[nH]c2-c2ccc(OCc3ccccc3Cl)cc2O)c1 9130563 MZJFWENQUHFRLL-UHFFFAOYSA-N 422.868 5.816 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(c1cccc(C)n1)C3=O 9193234 AXTWUFYNECAGNO-XMMPIXPASA-N 424.500 5.678 0 40 HKAB CCCCNC(=O)c1cc(-c2ccc(C)cc2)nc2[nH]nc(-c3ccc(Cl)cc3)c12 9228187 VKSYDWQGOGCWCH-UHFFFAOYSA-N 418.928 5.784 0 40 HKAB Cc1ccc(NC(=O)c2nnn(-c3ccc4noc(-c5ccccc5)c4c3)c2C)c(C)c1 11689937 KKTMHWHSIHVQDF-UHFFFAOYSA-N 423.476 5.253 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(/C=C/c3ccccc3)oc2NCc2ccco2)cc1 12559897 MXTBVLFBKFPVSY-SDNWHVSQSA-N 420.490 5.191 0 40 HKAB FC(F)(F)c1ccccc1NC(=S)Nc1ccn(Cc2ccc(Cl)cc2)n1 13330886 KPMCXNOOEQAHNU-UHFFFAOYSA-N 410.852 5.413 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)N1c2ccccc2Sc2ccccc21 13717267 JNHVIWHDXSNPCL-UHFFFAOYSA-N 420.843 7.194 0 40 HKAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 14130397 OCMBWLPYMQJBMD-DHDCSXOGSA-N 424.205 6.765 0 40 HKAB O=C(Nc1cc(Cl)cc(Br)c1OC(F)F)c1ccc(F)cc1F 14188907 LRGRMLCHDXACFM-UHFFFAOYSA-N 412.564 5.234 0 40 HKAB C[C@H](NC(=O)c1ccc(NCCC(=O)c2cc3ccccc3o2)cc1)c1ccccc1 15083469 HDUAEUKLUITUMK-SFHVURJKSA-N 412.489 5.609 0 40 HKAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(OCc2cscn2)c1 16706796 QBIBGXQPJGSBPV-UHFFFAOYSA-N 411.483 5.237 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc5ccccc5c4)cc3)oc2c1 17087909 ZNOHUHFJFLONRA-UHFFFAOYSA-N 408.457 5.974 0 40 HKAB CC1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2Cl)CC1 17092638 SOZRXFFZFAJDTM-UHFFFAOYSA-N 421.368 6.026 0 40 HKAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN3C(=O)c3nccc4ccccc34)c2)c1 19690859 RUDLGLVASYGOBU-AREMUKBSSA-N 421.544 5.815 0 40 HKAB Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)n1 19691428 GPHFZMJUAHLDDH-UHFFFAOYSA-N 424.548 5.272 0 40 HKAB COC(=O)c1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1C 20105605 DFUOWZYZEORXMG-UHFFFAOYSA-N 421.518 5.205 0 40 HKAB O=C(Nc1ccccn1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20744953 DSOUNIIBBWLVAE-HSZRJFAPSA-N 411.505 5.167 0 40 HKAB COc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4cccc(Cl)c4)c3c2c1 21017616 ZAFJPNOOFKFKFF-UHFFFAOYSA-N 420.299 6.556 0 40 HKAB COc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)s1 21738262 IPEYQCZXLOIJND-NSHDSACASA-N 420.947 5.063 0 40 HKAB Cc1nc(Sc2nnc(NC3CC3)s2)c2c(-c3cccs3)csc2n1 22809424 XUTICGGNQLYGMC-UHFFFAOYSA-N 403.583 5.305 0 40 HKAB Cc1ccc(C(=O)COC(=O)c2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1C 24522608 DSXPVJZSLDKJOV-UHFFFAOYSA-N 412.445 5.060 0 40 HKAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cccc(OCc2ccccc2)c1 24650717 PEKGZHVVMKADJR-UHFFFAOYSA-N 416.521 5.065 0 40 HKAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 26124248 DKMOHGBCKNSPRV-UHFFFAOYSA-N 420.900 5.017 0 40 HKAB COc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 27744364 WFKSGRIEJAPHIH-FQEVSTJZSA-N 404.897 5.392 0 40 HKAB Cc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)cs2)cc1 27990503 PBBHXIYNJSRBGD-LJQANCHMSA-N 422.594 5.677 0 40 HKAB CCOc1ccc(N(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 28579260 DVYVDKFIFFNLNX-UHFFFAOYSA-N 401.915 5.134 0 40 HKAB COc1cc(C(=O)NCc2cc(C)nc3ccccc23)ccc1OCc1ccccc1 32913565 WSMGLZYZIVUOMG-UHFFFAOYSA-N 412.489 5.061 0 40 HKAB CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)Nc1ccc(F)cc1F 40157646 OWAILCQWMQINFC-UHFFFAOYSA-N 416.447 5.371 0 40 HKAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1c(F)cccc1Cl)CO3 57121223 YWYNOYOSVIVYAN-UHFFFAOYSA-N 401.865 5.199 0 40 HKAB Cc1nn(C)c2sc(C(=O)Nc3ccc(NCc4ccccc4)c(Cl)c3)cc12 78721616 YVEQJZWMEPSRAQ-UHFFFAOYSA-N 410.930 5.461 0 40 HKAB Cc1ccc(-c2cnc(CCC(=O)N3CCCCC[C@@H]3[C@@H]3CCCCC3=O)o2)cc1 79066651 LBMGXKCVHZKJJW-LEWJYISDSA-N 408.542 5.113 0 40 HKAB O=C1c2ccccc2[C@@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1CCO 85430332 KJAORDDIWGODLW-QHCPKHFHSA-N 402.881 5.026 0 40 HKAB Cc1cccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1Cl 96602186 GRVSXOJZBXGANM-NRFANRHFSA-N 422.912 5.125 0 40 HKAB Clc1cccc(Cl)c1[C@@H]1C=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn21 101254048 WJANOBVMXDROPG-NRFANRHFSA-N 419.315 6.308 0 40 HKAB C[C@H]1CC2=NC(Nc3nc4ccccc4s3)=N[C@H](c3cc(F)cc(F)c3)C2=C(O)C1 102675768 RLSVXQWELKLIDB-PRWKNARSSA-N 424.476 5.780 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccccc1 106970729 PEXDVIYBVFOILC-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB Clc1ccc(NCc2ccc(OCc3ccccc3)c(Br)c2)cc1 106978689 OUPMSRDDBBJCIX-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)NCCCc1ccccc1Cl 222723082 WHHNKRJJGXDILM-UHFFFAOYSA-N 402.774 5.629 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)c1 223639385 WDJPJIOIFNQXKN-UHFFFAOYSA-N 409.595 5.880 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)c1cnn(-c2ccc(Cl)cc2)c1 224058222 XNOFUHMHTSRGED-UHFFFAOYSA-N 405.910 5.929 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 224219392 FTMUMXSFMLCYAK-XZOQPEGZSA-N 402.567 5.484 0 40 HKAB CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 224460844 DZHAWXSJYBYTIH-VQTJNVASSA-N 410.974 5.469 0 40 HKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CC2)c1C 224559227 GTLXBVRJSWPICG-PKTZIBPZSA-N 418.566 5.021 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCC2)ccc1OC(C)C 225678476 HEQHQAXMGMYIHD-UHFFFAOYSA-N 409.526 5.409 0 40 HKAB Cc1cccc(NC(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)O)c1 253562564 DKOXAZTZHHSMGP-ZYQDXHPFSA-N 411.501 5.388 0 40 HKAB COc1cccc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(Cl)cc3)O2)c1O 257292054 QJTKCIBYSSXEKW-MZKRTTBSSA-N 417.933 5.178 0 40 HKAB COc1cccc(Oc2ccc(NC(=O)c3ccc(-c4csc(C)n4)cc3)cc2)c1 408618889 HUIUOZBZDACEKV-UHFFFAOYSA-N 416.502 6.172 0 40 HKAB Cc1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccccc2C)n1 408723920 AKJBYZSGPLBWSY-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c(C)c1 409113475 AZHPGNNLATYYHF-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@H](c2ccccc2)N3)CC1 409174614 VQRFBLORMDWYOW-LPRBYJFTSA-N 400.566 5.855 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1 409372064 XWTWIDDTOGIBCF-UHFFFAOYSA-N 418.537 5.504 0 40 HKAB Fc1cccc([C@@H]2CN(Cc3ccccc3)[C@H]3CCN(Cc4cccs4)C[C@H]32)c1F 1848354061 IEPLGXBKEMHCGM-FIXSFTCYSA-N 424.560 5.516 0 40 HKAB CSc1ccccc1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 651574 UAYMMOBFWBJUCG-UHFFFAOYSA-N 408.306 6.140 0 40 HKAB CCOc1cccc(NC(=O)c2sc3nc(-c4ccc(OC)cc4)ccc3c2N)c1 661519 YJTJOVWOYSTEJR-UHFFFAOYSA-N 419.506 5.205 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c(O)c2)c(C)c1 1053129 PAQMKMPFISEKKQ-UHFFFAOYSA-N 416.477 5.452 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccco4)c3)nc2c1 1255930 SEFLPKHSJQZZKB-KUCQQTCKSA-N 420.896 6.907 0 40 HKAB COc1cccc(C(=O)CSc2ccc(-c3nc4cc(C)c(C)cc4[nH]3)cn2)c1 1329696 YMCNLDMLWYSFHH-UHFFFAOYSA-N 403.507 5.225 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)CN1c1ccccc1 1448240 VDDFWXDLTSHWFB-GOSISDBHSA-N 401.897 5.259 0 40 HKAB Cc1cc(C)c(C)c(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 1745242 XZYVFZXQGHXFBT-UHFFFAOYSA-N 418.924 5.721 0 40 HKAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)c1ccc2ccccc2c1 1927137 ORYZPEDRBGSHTP-UHFFFAOYSA-N 412.539 6.487 0 40 HKAB CCN(CC)c1ccc2cc(-c3nc(-c4ccc(OC)cc4)cs3)c(=O)oc2c1 2361825 PPRJERPPFQVPGP-UHFFFAOYSA-N 406.507 5.438 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(c1ccccn1)C3=O 2403192 OAAAXMQTZBPDTE-HSZRJFAPSA-N 410.473 5.370 0 40 HKAB CCc1nc(SCC(=O)Nc2cc(Cl)ccc2C)c2oc3ccccc3c2n1 2451423 IRQMXTBKVIHYIP-UHFFFAOYSA-N 411.914 5.631 0 40 HKAB C[C@H]1CCc2nc3ccccc3c(C(=O)Nc3ccc(Br)cc3F)c2C1 2632501 WBHFHKOKGBMEQL-LBPRGKRZSA-N 413.290 5.514 0 40 HKAB CC[C@@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(Cl)cc1 2706416 QZIVIZAWOXRFOX-CQSZACIVSA-N 420.007 5.510 0 40 HKAB Clc1ccc(-c2nnc(COc3ccc4cc(Br)ccc4c3)o2)cc1 2711786 MQSNGEKYTRSHBO-UHFFFAOYSA-N 415.674 5.885 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(Cl)cc4Cl)c3)oc2c1 2765535 VXYSLDZCZFKEJR-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB CCCN(CCC)C(=S)Oc1ccc(C(=O)Nc2cccc3ccccc23)cc1 3089259 NRBBNGTXSNDRCR-UHFFFAOYSA-N 406.551 5.878 0 40 HKAB Cc1cccc(Nc2nnc(SCC(=O)N[C@@H]3CCCc4ccccc43)s2)c1C 3346029 KCWBDMXBKVGRPF-LJQANCHMSA-N 424.595 5.184 0 40 HKAB COc1ccccc1N1C(C)=CC(C)(C)N=C1SCc1c(Cl)cccc1Cl 3669465 UQKQMGJPHJUVGZ-UHFFFAOYSA-N 421.393 6.794 0 40 HKAB COc1ccc2o/c(=N\c3cccc4ccccc34)c(-c3nc4ccccc4[nH]3)cc2c1 4032334 ZSLRJZUHBHBJMM-IKPAITLHSA-N 417.468 6.370 0 40 HKAB CC(C)Oc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 4375302 QDZMUYXSFWPIPL-UHFFFAOYSA-N 400.931 5.223 0 40 HKAB CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1OCC 4660188 CUEKYCIBMIWGAQ-CYFREDJKSA-N 420.534 5.788 0 40 HKAB CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 4715847 ZYEVJCTXJALKPZ-WIOPSUGQSA-N 418.468 5.475 0 40 HKAB COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)CC(C)C)c3ncnn32)cc1 4816800 KKBZBDMBSLFTBU-LEWJYISDSA-N 424.932 5.054 0 40 HKAB CCCC/C=C/[C@@H]1C=C[C@@H](CCCCCCCC(=O)OCC)[C@@H](C(=O)OCC)C1 4886817 MGASPNORXQCYDN-LNUBUTILSA-N 406.607 6.398 0 40 HKAB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)CC[C@H](c4ccccc4)[C@@H]3C2=O)cc1 4953443 QLBWEDTZLSUCNV-NGSHPTGOSA-N 411.501 5.162 0 40 HKAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc4c(c3)Cc3ccccc3-4)NC(=O)CN21 5369765 TXDAASGZGOCLDL-GHUVJGFRSA-N 406.529 5.203 0 40 HKAB Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Br)cc2)c1 5394217 RONLLGCJLRDOAN-OAQYLSRUSA-N 407.311 5.837 0 40 HKAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 6024058 LJWSXYOYVYTSDA-UHFFFAOYSA-N 415.902 5.093 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(CSc2ccc(Cl)cc2)cc1 6378392 OGFBWXNNFBNTNT-UHFFFAOYSA-N 406.309 6.677 0 40 HKAB COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(C(F)(F)F)c2)cc1 6924744 PCUPDGKDCHOTSW-SDNWHVSQSA-N 422.406 5.584 0 40 HKAB Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(-c4cccs4)n3C3CC3)o2)cc1 7221528 KEELWVAWZPDEPG-CYBMUJFWSA-N 409.540 5.553 0 40 HKAB CCCCN1C(=O)CCc2cc(NC(=O)COc3ccc(Cl)cc3Cl)ccc21 9137273 SJEOZPBNVFBJSS-UHFFFAOYSA-N 421.324 5.090 0 40 HKAB COc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccccc4C)c3)nc2c1 9252408 ZXVFRPAPCWSYSY-UHFFFAOYSA-N 402.450 5.138 0 40 HKAB COc1cccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1OC 9274431 BBILVNLMDGAPSV-UHFFFAOYSA-N 416.502 5.747 0 40 HKAB COc1cccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nc4ccccc4n32)c1 9288533 ITKDTTUXTYJFIG-DEOSSOPVSA-N 424.504 5.281 0 40 HKAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1cnn(Cc2ccccc2)c1 9547933 WOECBCAUDNAACE-DFBJGRDBSA-N 408.505 5.259 0 40 HKAB C[C@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(-c2ccccc2)cc1 9738680 YGUFGRGQIRTHIS-INIZCTEOSA-N 403.507 5.275 0 40 HKAB CCOc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3ccc(OC)cc3)C[C@H]21 10215658 LGTCWJSYPZONER-XXBNENTESA-N 406.507 5.398 0 40 HKAB CCCOc1ccccc1/N=c1\ssc2c1-c1cc(C)c(C)cc1NC2(C)C 12411376 IXPIKLYFCIOLBL-GYHWCHFESA-N 410.608 6.775 0 40 HKAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 12569619 RGDAHFZPVYIROC-IBGZPJMESA-N 418.449 5.142 0 40 HKAB O=C(NC1CC1)c1cccc(NC(=O)c2ccccc2SCc2cccs2)c1 12793124 FKSAQDYBSHSJEW-UHFFFAOYSA-N 408.548 5.185 0 40 HKAB COc1cc(C(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)ccc1C 12995715 SPFIUNPWEXPTLC-UHFFFAOYSA-N 400.931 5.287 0 40 HKAB CC(C)(C)c1ccc(OCc2nc3ccccc3n2CCCOc2ccccc2)cc1 13030763 TUEHYRGVBGFANX-UHFFFAOYSA-N 414.549 6.382 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc(Cl)cc1 13062835 USRIJDPWBJQLHE-HSZRJFAPSA-N 408.929 5.551 0 40 HKAB CC(C)CNC(=O)/C=C/C=C/CCCCCCCC/C=C/c1ccc2c(c1)OCO2 13378978 DRMOIHOBUYFDKF-HMZUNPFJSA-N 411.586 6.434 0 40 HKAB biogenic,in-vitro COc1ccc(-c2nnc(CSc3ncc(C(F)(F)F)cc3Cl)o2)cc1 14122911 PXBHLTZHGVDYAB-UHFFFAOYSA-N 401.797 5.105 0 40 HKAB O=C(CCN1CCCC[C@H]1c1cccnc1)N1c2ccccc2Sc2ccccc21 15083162 INCKQJKAEPCBFS-FQEVSTJZSA-N 415.562 5.828 0 40 HKAB CN(CCSc1ccc(Cl)cc1)CC(=O)Nc1c(Cl)cccc1Cl 16635927 JMUJVPKCIFKRAA-UHFFFAOYSA-N 403.762 5.309 0 40 HKAB COC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 16757856 KXDJQPNGZDWAAN-AWEZNQCLSA-N 423.925 5.395 0 40 HKAB C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1Cl 16912547 AHVOFUIEKCCSJQ-QGZVFWFLSA-N 420.940 5.223 0 40 HKAB Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4cccs4)cc3)n2)cc1 17042825 KEPGYLHLTWCYEC-UHFFFAOYSA-N 415.522 5.894 0 40 HKAB COc1c(Br)cc(Br)cc1C(=O)Nc1cccc(Cl)c1 17091849 LJMKEQPXWSLCCD-UHFFFAOYSA-N 419.500 5.126 0 40 HKAB Clc1ccc(Nc2nc(NCc3ccco3)nc3c2cnn3-c2ccccc2)cc1 17200441 AMIUNPJTRMQNLA-UHFFFAOYSA-N 416.872 5.418 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 18087504 ZPBGXHOHNJUREA-JQBYJRRVSA-N 419.402 5.102 0 40 HKAB COc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 20040624 REZNAYAKDSICGX-CQSZACIVSA-N 420.347 5.011 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1)c1ccc(OC)cc1 20486150 GWAZNIOCRJOGOQ-GRBCXPRBSA-N 401.506 5.512 0 40 HKAB Cc1ccc(CN(C)Cc2nc3sc(C)c(-c4ccc(C)cc4)c3c(=O)[nH]2)cc1 23818640 TXBMOLFCCSEYLJ-UHFFFAOYSA-N 403.551 5.209 0 40 HKAB Cc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3n2)cc1 26124039 POWOBLVBVCRWQX-UHFFFAOYSA-N 414.509 5.044 0 40 HKAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 30943737 WSPBQJJAYHNRJV-IEBWSBKVSA-N 419.396 5.343 0 40 HKAB O=C(O)c1cc2ccccc2c(/N=N/c2ccc3ccccc3c2S(=O)(=O)O)c1O 31334928 PWUSHZPXYOALFZ-GHVJWSGMSA-N 422.418 5.059 0 40 HKAB Fc1ccc(COc2c(Cl)cc(CNc3cccc(Cl)c3)cc2Cl)cc1 33731784 MXZFBUCYEMVEIL-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=O)c3ccccc3)c(Cl)nc2c1 35290140 VTVJYXNOOCSMTK-UHFFFAOYSA-N 415.924 5.743 0 40 HKAB O=C(COc1ccccc1)Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1 59417204 KDDYKHAEVAWIMA-UHFFFAOYSA-N 405.347 5.654 0 40 HKAB CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccc(F)cc1F 72328529 BTNYUVZQVBXXAG-UHFFFAOYSA-N 403.860 5.261 0 40 HKAB COc1cc([C@H]2C3=C(O)C[C@@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)ccc1O 102720395 GHTSTQXWZJSZCL-OYHNWAKOSA-N 418.449 5.011 0 40 HKAB CC1(C)CC(=O)C(C(c2ccc(C(C)(C)C)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 103444166 SELJQAKMBJWUMR-UHFFFAOYSA-N 424.581 5.217 0 40 HKAB COC(=O)c1cn(C(=O)CSCc2ccc(Cl)cc2Cl)c2ccccc12 222641692 UIEXYGYADDBVTO-UHFFFAOYSA-N 408.306 5.308 0 40 HKAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 224610757 GSJPCEIRYVNUAS-DHIUTWEWSA-N 418.566 5.271 0 40 HKAB Cc1ccc(SCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225286248 CDISGRCKHYJYHQ-UHFFFAOYSA-N 424.660 6.366 0 40 HKAB CCOc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)cc1 225340545 QTHYBIZSGQKPFM-UHFFFAOYSA-N 415.411 5.612 0 40 HKAB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 225401962 DUIGUAOKPTZZJA-UHFFFAOYSA-N 411.910 5.656 0 40 HKAB C[C@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1 225520175 NQGHIDFROLVGET-FQEVSTJZSA-N 424.560 5.387 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 225720356 RUKVWYCPOQALAM-RPWUZVMVSA-N 421.581 5.922 0 40 HKAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1ccccc1Oc1ccccc1 225809641 OKFXRWFRYBDCSB-UHFFFAOYSA-N 419.868 5.754 0 40 HKAB COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cn1 225870671 OCLJRKFDGKYVNC-UHFFFAOYSA-N 423.340 5.254 0 40 HKAB CCOc1ccc(C2=NN3[C@H](c4ccsc4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 248382290 WKXCHRKDEFDEGC-IRLDBZIGSA-N 410.926 6.043 0 40 HKAB CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 263585559 JZVFJDZBLUFKCA-ZNMHNEHWSA-N 412.702 7.801 0 40 HKAB biogenic Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(C)c(Cl)c2)cc1 408695292 PNKYZJVOZDMLRJ-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(Cl)cc2)cc1C 408697396 GZGDMOSMMOEZQV-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1c1ccccc1Cl 409060453 VKJOHSNGESPSDZ-WQRHYEAKSA-N 416.285 6.494 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2)n1CC(C)C 409096904 GYOPVEOZYVVNOQ-UHFFFAOYSA-N 414.962 5.294 0 40 HKAB CCc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)cc1 409109104 XUYDDWWYCNDBGW-UHFFFAOYSA-N 421.569 6.942 0 40 HKAB Cc1ccc(Cl)cc1NCc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 409112572 DZJISGPSACBDJZ-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1ccc(COc2ccc(Br)cc2CNc2ccc(C)cc2C)cc1 409114228 GNMZEXVEYHQKOY-UHFFFAOYSA-N 410.355 6.565 0 40 HKAB CCc1sc2nc(SCc3cccc(F)c3)n(-c3ccc(C)cc3)c(=O)c2c1C 409115381 IXIHYEJIKBACMV-UHFFFAOYSA-N 424.566 6.058 0 40 HKAB CCCCCN1C(=O)S/C(=C\c2ccccc2OCc2ccccc2Cl)C1=O 409208781 DIGPLLIWHVGUPV-ZHZULCJRSA-N 415.942 6.146 0 40 HKAB COc1ccccc1Nc1cc(Nc2ccccc2OC)n(C(=O)c2ccccc2)n1 575442921 IXMBZNHBMUQFSQ-UHFFFAOYSA-N 414.465 5.076 0 40 HKAB Cc1ccc([C@@H](Sc2ccccc2)[C@@H](Cn2cncn2)C(=O)c2ccccc2)cc1 630082 WDHFAGNQZSUSBQ-UKILVPOCSA-N 413.546 5.619 0 40 HKAB COC(=O)NC(=S)Nc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cc1 722128 RXSUCXKFFINDGA-UHFFFAOYSA-N 405.690 5.492 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)c(C)c1 997082 JDAKXPQDJFVXOV-UHFFFAOYSA-N 413.473 5.403 0 40 HKAB Cc1ccc(CN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)C(F)(F)F)cc1 1238272 NRESODAJPKCCCD-UHFFFAOYSA-N 420.862 5.905 0 40 HKAB Cc1cc2c(c(SCc3ccc(F)cc3F)n1)C(=O)N(c1ccccc1C)C2=O 1405808 UWDDNIMTFORMNY-UHFFFAOYSA-N 410.445 5.070 0 40 HKAB CC[C@@H](C)N1C(=S)SC(C)(C)[C@H]1N(O)C(=O)Nc1ccc(Cl)c(Cl)c1 1514553 RHGBDRCXORJNQS-NOZJJQNGSA-N 422.403 5.453 0 40 HKAB CCOc1ccc(/C=C2\N=C(c3cc(Cl)ccc3Cl)OC2=O)cc1OCC 1746845 XLCHUHRRURLCNM-SXGWCWSVSA-N 406.265 5.135 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccccc1N1CCCCC1 1840510 LDSVTDOJJSVVIF-MDZDMXLPSA-N 405.325 5.644 0 40 HKAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)c(C(C)(C)C)c1 1916375 SJZIDORPVLEXHU-UHFFFAOYSA-N 408.567 6.050 0 40 HKAB CCCCc1cc(=O)oc2cc(OCC(=O)c3c(C)n(C)c4ccccc34)ccc12 2150064 IOZIGWQBDBLDJY-UHFFFAOYSA-N 403.478 5.197 0 40 HKAB biogenic CC(C)CSc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 2415265 CVAHTYGJTASKRU-UHFFFAOYSA-N 421.385 6.059 0 40 HKAB Cc1nc2ccc(NC(=O)CSc3nnc(-c4ccc(Cl)cc4)o3)cc2s1 2625624 NGSHILSKVBZFBQ-UHFFFAOYSA-N 416.915 5.039 0 40 HKAB O=C1c2cccc(OCc3ccc(Cl)cc3)c2CCN1Cc1ccc(Cl)cc1 2716440 GDYIQFRXEKXHSA-UHFFFAOYSA-N 412.316 5.771 0 40 HKAB CCCCSc1nnc2c(n1)O[C@@H](c1ccc(SC)cc1)Nc1ccccc1-2 2741719 VWBGHDUCSGHLDF-IBGZPJMESA-N 410.568 5.656 0 40 HKAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(F)c(F)c4)c3n2)cc1 2770526 NHEXBXVJEWUKLT-UHFFFAOYSA-N 414.362 5.173 0 40 HKAB CC(C)(C)c1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)cc(C(C)(C)C)c1 3243852 BUKKEZDHPFNFIQ-UHFFFAOYSA-N 419.924 5.870 0 40 HKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)cc1 3278986 SMMQNJISVVETLD-UHFFFAOYSA-N 407.941 7.001 0 40 HKAB Cc1ccccc1NC(=O)Cc1nc(CSc2nc3ccccc3s2)cs1 3416480 UWNYABZEIYDNLO-UHFFFAOYSA-N 411.577 5.535 0 40 HKAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 4390287 KRPWKJXCSHAYRG-FQEVSTJZSA-N 408.423 5.749 0 40 HKAB O=S(=O)(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Cl)cc1 4521964 QXLFEAJYXKEWCQ-UHFFFAOYSA-N 401.959 5.609 0 40 HKAB COCCn1c(-c2ccc(Cl)cc2)cnc1NCc1cccc(Cl)c1Cl 4678793 GLEFXSBQKAAIOA-UHFFFAOYSA-N 410.732 5.769 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)C1=Cc2ccccc2OC1 5034319 BESBRAOLEKIIBW-UHFFFAOYSA-N 405.475 5.006 0 40 HKAB CNC(=O)c1c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)sc(C)c1C 5144945 XLMDBPKUTTWLEI-UHFFFAOYSA-N 415.518 5.192 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1 5176028 XITUDJMZOBNESN-UHFFFAOYSA-N 405.545 5.150 0 40 HKAB CCOc1ccc(NC(=O)c2c(C)c(-c3ccc(OC)cc3)nc3ccccc23)cc1 5475608 GQKFZGXMWXRKSZ-UHFFFAOYSA-N 412.489 5.870 0 40 HKAB Cn1c(NC(=O)c2ccccc2)c(-c2cccc3ccccc23)c(=O)c2ccccc21 6804520 MKNFTGIRTBRSHY-UHFFFAOYSA-N 404.469 5.611 0 40 HKAB Cc1nc2ccc(NC(=O)c3ccccc3OCc3cn4ccccc4n3)cc2s1 7319080 UALINANPLBYOEU-UHFFFAOYSA-N 414.490 5.084 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCC[C@@H]4CCCC[C@H]43)o2)cc1 7383836 TZXIPMBUOQPQQY-QFBILLFUSA-N 413.587 5.307 0 40 HKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)C2(c3ccccc3)CC2)cs1 7397258 WCPTVHQFJJGCRM-UHFFFAOYSA-N 420.534 5.220 0 40 HKAB Fc1ccc(-c2ccc(CNn3c(-c4ccccc4)n[nH]c3=S)o2)cc1Cl 7602317 SNVJWDQXEHNURZ-UHFFFAOYSA-N 400.866 5.404 0 40 HKAB CCCc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1CC 7605187 LROVCWVDCLKUHG-UHFFFAOYSA-N 410.568 5.172 0 40 HKAB CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 7881364 NXTZOBBYTLBODS-SFHVURJKSA-N 415.489 5.242 0 40 HKAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)c1 7882280 HIGBKQASOBQTRZ-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB Clc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 8740856 RGFGCCQYJXBSFB-UHFFFAOYSA-N 422.915 7.856 0 40 HKAB COc1ccc(C(=O)Nc2oc3c(C)cccc3c(=O)c2-c2cccs2)cc1OC 8994664 IWESICTWALNYJE-UHFFFAOYSA-N 421.474 5.099 0 40 HKAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccs2)cc1C 9424427 ZNTZNPQMONTWMI-UHFFFAOYSA-N 402.519 5.362 0 40 HKAB O=C(NC(=S)Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(Cl)cc1 9425525 TVZCQZIKBMTYPT-UHFFFAOYSA-N 423.950 5.744 0 40 HKAB COc1cc2nc(Nc3nc4ccc5sc(C)nc5c4s3)sc2cc1OC 10068973 GVMIHSHOHWTPLB-UHFFFAOYSA-N 414.537 5.585 0 40 HKAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 11585577 PCWXSTAPIJJDSL-GOSISDBHSA-N 422.941 5.626 0 40 HKAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)Nc1ccc(F)cc1F 12601064 LVCWEOVMNRLLSE-UHFFFAOYSA-N 423.488 5.288 0 40 HKAB Clc1ccccc1-c1nnc(CN2CCCC[C@H]2c2nc3ccccc3s2)o1 12908802 FKXNWWGNICHJCJ-KRWDZBQOSA-N 410.930 5.727 0 40 HKAB CN(C)[C@H](CNc1nc(-c2cccnc2)nc2ccccc12)c1ccccc1Cl 13099070 ANQIUXIPGPLQQO-OAQYLSRUSA-N 403.917 5.060 0 40 HKAB COc1cc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc(OC)c1OC 13283700 FSAIVDWVCUYMDU-UHFFFAOYSA-N 405.881 6.248 0 40 HKAB Cc1ccc(-c2nn(CN(C)[C@H](C)c3nc4ccccc4s3)c(=S)n2C)cc1 14231002 PTHOMVXXBXCLGS-OAHLLOKOSA-N 409.584 5.187 0 40 HKAB CCc1nn2c(c1-c1ccccc1)N=C(c1ccccc1OC)C[C@@H]2c1ccccn1 14607632 CASHYLUKLLFPAC-HSZRJFAPSA-N 408.505 5.630 0 40 HKAB CC[C@@H](C)c1ccc(OCCn2c(CNC(=O)c3ccco3)nc3ccccc32)cc1 15922091 ZONNFLNYWUXJJS-GOSISDBHSA-N 417.509 5.152 0 40 HKAB Cc1ccccc1Nc1nnc(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)s1 16050603 JJZMJOSCJCSROZ-DNNBLBMLSA-N 404.605 5.012 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cnc(-c2ccccc2)[nH]c1=O 19937307 VRSXNAJZWGSNKW-UHFFFAOYSA-N 417.852 5.135 0 40 HKAB CCOc1ccc(Nc2nn(-c3ccc(OC)cc3)c3c2C(=O)CC(C)(C)C3)cc1 20797026 UACPLVXSQIUGAF-UHFFFAOYSA-N 405.498 5.178 0 40 HKAB Cc1ccc(-c2cc(C(=O)N3CCCSc4ccccc43)c3c(C)noc3n2)s1 25001575 KFTSENWHQPGXGR-UHFFFAOYSA-N 421.547 5.711 0 40 HKAB O=C(COc1ccccc1)Nc1nc(-c2ccc(-c3cccc(F)c3)s2)cs1 27913874 FWQFQJPRQZXCLQ-UHFFFAOYSA-N 410.495 5.695 0 40 HKAB O=C(Nc1ccc(Cl)cc1)N(Cc1nc2n(n1)CCCCC2)c1ccc(F)cc1 28527895 LYUMXRXJJMPTNQ-UHFFFAOYSA-N 413.884 5.036 0 40 HKAB CCc1cccc2c(C(=O)[C@H](Sc3nnc(CSC)o3)c3ccccc3)c[nH]c12 29917361 ZHNKZACROWXUKJ-OAQYLSRUSA-N 423.563 5.693 0 40 HKAB Cc1ccc([C@H](C)NC(=O)COc2ccc3ccccc3c2Br)c(C)c1 30856868 LECQOWPIINQYAQ-INIZCTEOSA-N 412.327 5.475 0 40 HKAB COc1ccc(-c2noc(CCCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 31546690 WPPYVLWAJBBWJG-UHFFFAOYSA-N 406.269 5.013 0 40 HKAB CCOc1ccc(NC(=O)c2sc(N3CCCCC3)nc2-c2ccc(C)cc2)cc1 36293470 CTMBHFIPAQOSTL-UHFFFAOYSA-N 421.566 5.760 0 40 HKAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1ccc(Cl)cc1)[C@@H]2O 36614432 OOABHJLKLZEWKP-GHXDPRSLSA-N 408.969 6.259 0 40 HKAB Cc1ccc([C@@H](NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2)cc1 44838883 PARXQXVAMPLSKG-QFIPXVFZSA-N 400.305 5.586 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 44937370 JTFIXBNSEAHWHB-RUZDIDTESA-N 408.586 5.588 0 40 HKAB O=C(CN[C@@H](c1ccccc1)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F 58128494 KKTYIEGQBSKNEI-NRFANRHFSA-N 404.819 5.075 0 40 HKAB COc1c(Cl)cc(C(=O)NC(=S)Nc2cccc(Cl)c2Cl)cc1Cl 59438202 KNAYRYGUCNEYJM-UHFFFAOYSA-N 424.136 5.436 0 40 HKAB O=c1c2ccccc2c(-c2nc(-c3cccc(Cl)c3)no2)cn1-c1cccc(F)c1 67245429 PSRGPJUQNPZCQR-UHFFFAOYSA-N 417.827 5.500 0 40 HKAB COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)c1 72349026 RFEXLKHBXRCGDS-JOCHJYFZSA-N 400.522 5.096 0 40 HKAB COc1cccc(OC)c1Oc1ccc(CN[C@@H](c2ccc(C)o2)C2CCCC2)cn1 95462782 DLIHIGOQRLFVTN-XMMPIXPASA-N 422.525 5.814 0 40 HKAB Cc1ccccc1NC(=O)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 96062746 KZQRVMYAPTZGRU-UHFFFAOYSA-N 411.486 6.179 0 40 HKAB Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)c1 100664045 VOVSFTFOXZXHLQ-AJKYEQNVSA-N 413.517 5.468 0 40 HKAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)CC2=O 100834583 ZRPNMVLCUYXIQU-DNQXCXABSA-N 409.913 5.295 0 40 HKAB CC1(C)CC2=Nc3nn(-c4ccccc4)c(O)c3[C@@H](c3ccccc3F)C2=C(O)C1 102644542 MNVVBVAILOADER-IBGZPJMESA-N 403.457 5.567 0 40 HKAB CC1(C)[C@H]2C[C@H]1CC[C@@H]2CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl 104341531 UGOBKUJFKZIHDK-UPJWGTAASA-N 405.749 6.031 0 40 HKAB O=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1Cc1ccc(Cl)cc1Cl 106699808 JIGFWKQVQSXNSE-CHHVJCJISA-N 416.688 6.022 0 40 HKAB Cc1c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n(-c2ccccc2)c1C 222854409 VSMVKGVIPWHDOQ-DHIUTWEWSA-N 404.583 5.178 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223100135 VQVJCBUATYWDOE-FGZHOGPDSA-N 402.003 6.357 0 40 HKAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1C 223450578 FUYDCQZBQZQFOB-QGZVFWFLSA-N 418.375 5.754 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1cc(C)cc(C)c1C 224276150 MAIIOVPMSMHCFY-UHFFFAOYSA-N 403.522 6.069 0 40 HKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 224342650 XJXFCOGCCFHIKO-DQEYMECFSA-N 424.573 5.612 0 40 HKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1 224363596 OLJZGFIWURADEI-GOTSBHOMSA-N 418.610 5.939 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccc(Cl)c(C)c1 224542091 HLIHKLRFKXDUTR-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1Cl 225543894 XRIMJNCUKIPUCO-SFHVURJKSA-N 415.961 5.903 0 40 HKAB O=C(Cc1cccc(Br)c1)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 225611539 NMRSJMDRFPCEMN-LJQANCHMSA-N 414.343 5.335 0 40 HKAB Cc1cccc([C@H](NC(=S)Nc2ccc(OC3CCCC3)cc2)c2ccccc2)c1 225701029 FBRQKDMFFWKCMR-RUZDIDTESA-N 416.590 6.392 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c2ccccc12 225766239 HZUONCMUNFAUAY-UHFFFAOYSA-N 421.968 7.123 0 40 HKAB COc1ccc(OC)c([C@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 225825452 LTOQUGVUDPZPAQ-LBPRGKRZSA-N 414.354 5.121 0 40 HKAB CCc1ccc2oc(-c3ccccc3)cc(=NCCc3ccc(OC)c(OC)c3)c2c1 254573090 LWZSCAICTNCCEE-UHFFFAOYSA-N 413.517 5.823 0 40 HKAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CCC3CCCC3)CC2)n1 257227054 FNKLOGSPCWSAOG-AQYVVDRMSA-N 406.574 5.207 0 40 HKAB COCc1ccc(C(=O)N2CCC[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cc1 257344985 ZZLLLNVRFSSRRG-RUZDIDTESA-N 414.549 5.147 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](C(=O)O)CC[C@@H]4[C@H]3CC[C@]12C 263606772 RGDMWGKNYCFTOQ-ZZQAAORLSA-N 400.647 7.339 0 40 HKAB O=C(Nc1ccccc1Br)C(=O)c1c(-c2ccccc2)cc2ccccn12 408626144 ZHVNJCCLYCRGTR-UHFFFAOYSA-N 419.278 5.190 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nn2-c2ccccc2)cc1 408697181 FSBQFDBSBPNWNH-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2cccc(C)c2C)nc1-c1ccc(F)cc1 408697620 IQWMJBSLSVBSQZ-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB COc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1ccc(Cl)cc1 409207616 YUMHUIRGTUVHBF-UHFFFAOYSA-N 423.965 5.661 0 40 HKAB COc1ccccc1OCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1C 409328787 AZXKOYKKHLWRMB-UHFFFAOYSA-N 410.326 5.002 0 40 HKAB O=C(NCc1cccc2ccccc12)NC[C@H](O)c1ccc(-c2ccsc2)cc1 575611314 UQAGXNXPUUHYQW-QHCPKHFHSA-N 402.519 5.101 0 40 HKAB CC(C)[C@@H](O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 725236926 IOWMKBFJCNLRTC-CSDBWSFHSA-N 402.663 6.360 0 40 HKAB Cc1ccc(-c2nc(=Nc3cccc(C(F)(F)F)c3)sn2-c2ccccc2)cc1 1738955316 ACAAKJMOJGGPLP-UHFFFAOYSA-N 411.452 6.160 0 40 HKAB COC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 669385 GECDKZDSKUMLSP-BPQIPLTHSA-N 411.567 5.428 0 40 HKAB O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@H]1c1nc2ccccc2[nH]1 841955 IIOHUFARLZTDDN-NRFANRHFSA-N 400.869 5.208 0 40 HKAB CCc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)cc1 865611 CKGNAHUNEYQPIZ-PKOBYXMFSA-N 414.431 5.358 0 40 HKAB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4cc(C)cc(C)c4)c23)cc1 1105435 KXLZPAKUXZFUHY-UHFFFAOYSA-N 419.575 6.014 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 1359792 AMMBBIBHEXBBFI-GOSISDBHSA-N 407.489 5.193 0 40 HKAB CC(C)(C)NC(=O)/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccccc1 2054219 HINVAXCTHQNEAL-HKWRFOASSA-N 422.912 5.286 0 40 HKAB COc1ccccc1Oc1c(C)oc2cc(OCc3ccccc3C)ccc2c1=O 2098026 CJZWYBVMSQOOIM-UHFFFAOYSA-N 402.446 5.790 0 40 HKAB biogenic COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccccc3Cl)n2)cc1 2201952 LHCPASOKKWPJNZ-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB Clc1ccc2c(c1)[C@@H](c1ccccc1)O[C@@H](c1ccc(Br)cc1)N2 2293531 AZGYLCACSFIPSF-UXHICEINSA-N 400.703 6.333 0 40 HKAB CCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Br)cc1 2721650 FJRFKMVYCFCZHL-UHFFFAOYSA-N 424.341 5.049 0 40 HKAB COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)Nc1ccc(Cl)cc1 3135899 BCVNAIJHXJNIIQ-UHFFFAOYSA-N 409.873 5.553 0 40 HKAB O=C(COc1ccccc1)Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2 3209606 KYCCYURLTILALS-UHFFFAOYSA-N 420.559 5.921 0 40 HKAB COc1ccc2c(c1)CCc1cc(C(=O)OCCCC(=O)c3ccc(F)cc3)sc1-2 3379160 AEMNEGIYUCMODP-UHFFFAOYSA-N 424.493 5.481 0 40 HKAB CC(C)C(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccccc21 3960712 FTCWKSGDHXCEMZ-NLFFAJNJSA-N 412.533 5.856 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)CN1Cc1ccccc1 4033499 KCQCSCJQXQOMAL-HXUWFJFHSA-N 415.924 5.254 0 40 HKAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(OC(C)C)cc2)CSC3)c(C)c1 4087552 SFVYZKFQZQOQHN-UHFFFAOYSA-N 407.539 5.275 0 40 HKAB CC1=C(C)C[C@](C(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)(c2ccccc2)[S@@](=O)C1 4114094 FLFUPAMWVHIQBX-GLUAISARSA-N 402.600 5.375 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)C3CCC3)cc2c1 4880878 GXBUQLKEIMSNFO-UHFFFAOYSA-N 410.920 5.973 0 40 HKAB O=S(=O)(Oc1ccc2oc3ccccc3c2c1)c1ccc(Br)cc1 5234092 RBPXESXAFMXMAQ-UHFFFAOYSA-N 403.253 5.116 0 40 HKAB O=C1OC(c2cccc(Cl)c2)=N/C1=C1/C=C(c2cccs2)Oc2ccccc21 5483578 FTJKXKMKATZCKW-SILNSSARSA-N 405.862 5.550 0 40 HKAB Cc1ccc2nc(SCc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)[nH]c2c1 5490815 DTBZDRQEOITHQT-UHFFFAOYSA-N 407.926 6.069 0 40 HKAB Cc1c(C#N)c(NC(=O)Nc2ccc(Cl)c(Cl)c2)n(C2CCCCC2)c1C 6083145 WFAUZRSUOWOCRU-UHFFFAOYSA-N 405.329 6.433 0 40 HKAB O=C(COc1ccccc1Cl)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 6227152 ICCRQBSOWSXYRZ-UHFFFAOYSA-N 413.260 5.819 0 40 HKAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)c1nnc(-c2cccs2)o1 6851593 PUWBPBQHHDKGHT-SNVBAGLBSA-N 401.542 5.306 0 40 HKAB O=C(OCc1ccc(-c2ccccc2)cc1)c1cc(-c2ccccc2)nc2ccccc12 8150711 APYXRNMEYULJEA-UHFFFAOYSA-N 415.492 6.926 0 40 HKAB CCc1cccc(N(C(=O)[C@H]2COc3ccccc3O2)c2nc3ccccc3s2)c1 8192956 BDQLQMSXPVKSDL-OAQYLSRUSA-N 416.502 5.363 0 40 HKAB COc1cc(C(=O)N2CCCCCC2)cc(Br)c1OCc1ccccc1 9640882 CSUDXIHRALKSER-UHFFFAOYSA-N 418.331 5.053 0 40 HKAB CC(C)COc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 10120118 AKCGUMCROUNGMV-UHFFFAOYSA-N 400.478 5.706 0 40 HKAB Cc1ccc(Cl)c2sc(N(Cc3ccccn3)C(=O)CCc3ccccc3)nc12 10187700 SBNFWRWEWYFNRC-UHFFFAOYSA-N 421.953 5.819 0 40 HKAB COc1cccc2c1O[C@H](c1ccc(F)cc1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 12193302 NOMTWUMCHPXIDQ-NZQKXSOJSA-N 408.860 5.730 0 40 HKAB COc1ccccc1-c1cc(=O)c2cc(NC(=O)c3cc4ccccc4o3)ccc2o1 12407674 ODWYQRLRYNTXQX-UHFFFAOYSA-N 411.413 5.467 0 40 HKAB biogenic Cc1ccc(Cl)cc1NC(=O)[C@H](C)Oc1cccc(-c2nnc3n2CCCCC3)c1 12795676 GZCNGHSONRKJFF-INIZCTEOSA-N 424.932 5.039 0 40 HKAB Cc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1Cl 12855331 ZUZMPOAFPKIFPD-UHFFFAOYSA-N 418.928 6.066 0 40 HKAB CC(C)c1ccccc1Nc1nnc(-c2cc(-c3cccnc3)nc3ccccc23)s1 13041520 WTQCBHGAGHYXKL-UHFFFAOYSA-N 423.545 6.682 0 40 HKAB Cc1cc(-c2cc(C(=O)N[C@@H]3CCc4ccccc43)c3cnn(C(C)C)c3n2)c(C)o1 14800855 YOKNCQVYQSZSOP-JOCHJYFZSA-N 414.509 5.306 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 14833523 AOTVXKKNKPXZEC-HJUDDPQBSA-N 404.897 5.483 0 40 HKAB O=C(Nc1ccccc1)Nc1nnc(-c2ccccc2SCc2ccccc2)s1 17044247 FNVICXXIULKPIT-UHFFFAOYSA-N 418.547 6.141 0 40 HKAB O=C(Nc1ccccc1N1CCCCC1)c1ccc(-c2cccc(Cl)c2Cl)o1 17090231 ULFFMQONVSKJSQ-UHFFFAOYSA-N 415.320 6.496 0 40 HKAB COc1cccc(-c2nn(Cc3ccccc3F)c(-c3cccc(OC)c3)c2Cl)c1 17093318 SCVAQOWQLRGHQN-UHFFFAOYSA-N 422.887 6.075 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 20110374 WIYJJLGNZZFSHY-HXUWFJFHSA-N 419.590 6.817 0 40 HKAB CC(=O)N1CCc2cc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)ccc21 21707908 MXDWFGPTPLTLNG-UHFFFAOYSA-N 423.472 5.170 0 40 HKAB Cc1cccc(C2=N/C(=C/c3cc4ccccc4nc3Sc3ccccc3)C(=O)O2)c1 27572995 RPSINDSAMPIQOB-XQNSMLJCSA-N 422.509 6.039 0 40 HKAB COc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)c2c[nH]c3ccccc23)cc1 27746083 QFQWRHXTJRCXMT-OAQYLSRUSA-N 404.897 5.392 0 40 HKAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1ccccc1 28652839 OOGLFISCRKTWKJ-KUHUBIRLSA-N 407.341 5.015 0 40 HKAB CCOc1ccc(-c2nc(CC(=O)NCc3cccc(C(F)(F)F)c3)cs2)cc1 30553628 CXCVBCMGVLZVNT-UHFFFAOYSA-N 420.456 5.087 0 40 HKAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 30943717 WCOYJJKWPRFBFQ-PXNSSMCTSA-N 419.396 5.343 0 40 HKAB COc1ccc(-c2nnc([C@@H](C)N3CC=C(c4c[nH]c5ccccc45)CC3)o2)cc1 32753105 IBFSCMAYXFBIIY-MRXNPFEDSA-N 400.482 5.077 0 40 HKAB COc1ccc(-c2csc3nc(C)nc(Sc4nc(C)c(C)o4)c23)cc1OC 32906774 ZOVNORVCXXWYGQ-UHFFFAOYSA-N 413.524 5.440 0 40 HKAB COc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OCc2ccccc2)cc1 34011641 GXAWUBYOPVAHKZ-UHFFFAOYSA-N 418.536 7.180 0 40 HKAB in-vitro Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1CCC[C@H](c2nc3ccccc3s2)C1 35581044 UKUTVZZBLMWKBI-YCRPNKLZSA-N 405.523 5.091 0 40 HKAB CC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 38858359 LVBRSCJJDHTOCH-UHFFFAOYSA-N 405.325 5.047 0 40 HKAB Cc1c(COC(=O)[C@H]2[C@H](/C=C(/Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1 43068481 OMFRMAHOUUJSGP-NQSNNJOGSA-N 422.874 6.662 0 40 HKAB in-vitro COc1ccc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc(C)c(C)c3)c2c1 44168105 NYTKHZPBGDSGMY-UHFFFAOYSA-N 403.526 5.476 0 40 HKAB Cc1oc(C)c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c1Br 57994996 XXXHXRUZIAJZON-UHFFFAOYSA-N 411.708 5.688 0 40 HKAB CSc1nnc(CSc2nnc(-c3ccc(F)cc3)c3ccccc23)s1 65691837 JIJBHFCYQRKFFV-UHFFFAOYSA-N 400.529 5.302 0 40 HKAB CCOc1ccc(-n2c(SCCc3ccccc3)nc3ccccc3c2=O)cc1 67259622 MMOSIHUXEIZDTQ-UHFFFAOYSA-N 402.519 5.119 0 40 HKAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CCCN(Cc3ncc[nH]3)C2)n1 72354181 UFBIIIJNVMVQDR-IBGZPJMESA-N 414.475 5.102 0 40 HKAB COc1cccc(C(=O)N2CCC[C@@H](c3cc(-c4cccc(OC)c4)cc(C)n3)C2)c1 72370051 MHWAHLIZZAWRJP-OAQYLSRUSA-N 416.521 5.094 0 40 HKAB O=C(c1ccc(Cl)cc1)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@H]1c1ccco1 84429314 WVTKERJKDMYADC-LLRNMLNGSA-N 406.869 5.963 0 40 HKAB CC1(C)CC2=NC(Nc3nc4ccccc4o3)=N[C@H](c3cccc(O)c3)C2=C(O)C1 102613247 JSFLMJKMJAGPIT-HXUWFJFHSA-N 402.454 5.129 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1 106718824 PCZHBAZAZMYIDD-XMSCMFJESA-N 417.530 6.254 0 40 HKAB CC[C@H](NC(=O)c1ccc(I)cc1)c1ccc2c(c1)CCCC2 223024667 ZQPWFHQOLQRQSR-IBGZPJMESA-N 419.306 5.051 0 40 HKAB CC1(C)CCc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2O1 223663004 OECAVDZHPUDQLL-UHFFFAOYSA-N 419.852 5.263 0 40 HKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C1CC1 224392733 LWIJZNXMTFGJSD-YADHBBJMSA-N 406.530 5.151 0 40 HKAB CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1cccc(OC)c1 224584947 XKVUHMYUBNLBAO-UHFFFAOYSA-N 409.526 5.293 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccc(C)c(C)c1 224627486 KNUYQYHTUGEOAJ-LJQANCHMSA-N 421.512 5.911 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2ccccc12 225685824 RUWMUKJQQXBFOR-GOSISDBHSA-N 421.968 7.121 0 40 HKAB CCCCOc1ccc(NC(=O)[C@](C)(CCCC)OCCC)cc1C(=O)OCC 225846107 UOSZWZMLIJEKDS-QHCPKHFHSA-N 407.551 5.356 0 40 HKAB CCOc1ccc(C2(NC(=S)Nc3cccc(C(F)(F)F)c3)CCCC2)cc1 225849430 PSPLRJBTHVBMMY-UHFFFAOYSA-N 408.489 5.860 0 40 HKAB Cc1cc(-c2ccc(C(=O)Nc3ccc(Cl)cc3N)o2)ccc1Br 226348590 HOMBZHSAWWVVNA-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1 408546955 HVGMDUQEZPUEMN-UHFFFAOYSA-N 415.902 5.093 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(Cl)cc2)c1 408697173 FPOTYMJTMUSRHU-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 408723666 ZIHDLYNIERJTEX-UHFFFAOYSA-N 404.922 6.691 0 40 HKAB Cc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 408773288 USRYZNJMOALLBY-DEOSSOPVSA-N 402.519 5.022 0 40 HKAB Cc1sc2nc(-c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)nc(O)c2c1C 408816818 KGDOKDPIEUVBLW-UHFFFAOYSA-N 400.843 5.292 0 40 HKAB CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCc1c(F)cccc1Cl 409205650 DOUCOMOOOVOTSU-SFQUDFHCSA-N 423.871 5.950 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 409260256 NKGQWZAWMKFLIC-UHFFFAOYSA-N 404.318 6.517 0 40 HKAB CCN1C(=O)S/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)C1=O 409353567 NLKCCUIGDHSAGI-RQZCQDPDSA-N 408.306 5.629 0 40 HKAB Cc1cc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1Cl 685939969 NNONZASZHXWDRS-JOCHJYFZSA-N 421.880 5.313 0 40 HKAB O=C(Nc1nc2ccccc2s1)c1cc(Br)ccc1Br 682346 WQWSDENJAZZMMK-UHFFFAOYSA-N 412.106 5.074 0 40 HKAB O=C1C[C@H](c2ccccc2C(F)(F)F)c2cc(Br)c3ccccc3c2N1 709400 DAJJETJGKGYCQP-CQSZACIVSA-N 420.228 6.095 0 40 HKAB COc1ccc(-c2csc(-n3nc(C(F)(F)F)cc3-c3ccc(C)cc3)n2)cc1 1415687 FOGXTZZZULNSQE-UHFFFAOYSA-N 415.440 5.999 0 40 HKAB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1cccc(Cl)c1 1746117 JWHIHUFQWDHSHX-UHFFFAOYSA-N 424.978 6.809 0 40 HKAB CC(C)CCOc1ccc(C2=N/C(=C/c3ccc(OC(F)F)cc3)C(=O)O2)cc1 2083502 KDYDPBKLUHSTDV-CPNJWEJPSA-N 401.409 5.057 0 40 HKAB CCOc1ccc([C@H](CCc2ccccc2)NC(=O)c2ccccc2F)cc1OCC 2127264 FZXZQKUQTZCLFS-QHCPKHFHSA-N 421.512 5.727 0 40 HKAB CCc1c(C)c2ccc(OCC(=O)c3ccc(-c4ccccc4)cc3)c(C)c2oc1=O 2145358 OJTWCSPDHMSNMF-UHFFFAOYSA-N 412.485 5.901 0 40 HKAB biogenic CC[C@]1(C)Cc2c(sc3nc(SC(C)C)n(-c4ccccc4)c(=O)c23)CO1 2207936 UAIPEPHGERFNRJ-OAQYLSRUSA-N 400.569 5.189 0 40 HKAB Clc1ccc(-n2c(SCc3ccccc3)nnc2-c2cccc(Cl)c2)cc1 2237211 DDVZDLQWYYSEKV-UHFFFAOYSA-N 412.345 6.533 0 40 HKAB Nn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc(Cl)cc1Cl 2374210 WNFWIMUUXLMNTA-UHFFFAOYSA-N 420.152 5.565 0 40 HKAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2F)cc1 2625451 DWXKGBDFIMMCHA-MRXNPFEDSA-N 418.497 5.140 0 40 HKAB COc1ccc([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCCCC2)cc1 2708357 NCXSPZYKHJGFIK-XMMPIXPASA-N 409.614 6.571 0 40 HKAB CC(C)c1ccc(-c2csc3ncnc(Oc4ccc5ccc(=O)oc5c4)c23)cc1 2889072 CJXWXCWQRZYSQB-UHFFFAOYSA-N 414.486 6.380 0 40 HKAB CCCCc1ccc2nc(NC(=O)c3cccc(OCc4ccccc4)c3)sc2c1 3314878 DGBBEVMSRNVASI-UHFFFAOYSA-N 416.546 6.470 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(CC)cc1)c1ccccc1 3393893 TUULDXYKDUVHPC-HSZRJFAPSA-N 403.478 5.185 0 40 HKAB CCCCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1 4871903 ODDDBQVTIUEZEP-AHKZPQOWSA-N 412.533 6.416 0 40 HKAB Cc1c(C(=O)O[C@H]2CCC[C@@H]2C)[nH]c2c1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 4910957 MDEIQOJLELEDEK-VPKVUBIPSA-N 407.554 5.879 0 40 HKAB O=C(CSc1ccc2ccccc2c1Br)Nc1ccc(Cl)cc1 4950334 NOQCWUFTSMLWNU-UHFFFAOYSA-N 406.732 5.987 0 40 HKAB CC(C)c1ccc([C@H](O)[P@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 5033096 BQKORMCNTWMRAI-FUFSCUOVSA-N 415.514 5.820 0 40 HKAB CCCCCc1ccc(-c2ccc(-c3nnc(-c4ccc(Cl)cc4)s3)cc2)cc1 5119605 CKJHWZFHWJGMDT-UHFFFAOYSA-N 418.993 7.925 0 40 HKAB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccccc1)c1ccc(Cl)cc1 5348190 ZFUQULMOCVTQKJ-UHFFFAOYSA-N 410.256 6.019 0 40 HKAB CC(C)C(=O)N[C@H](Nc1cc(Cl)ccc1C(F)(F)F)C(Cl)(Cl)Cl 5481671 MCMPBLVFPXZEHR-NSHDSACASA-N 412.066 5.239 0 40 HKAB O=c1cc(-c2ccccc2)oc2cc(OCc3c(Cl)cccc3Cl)cc(O)c12 5554614 UBHKFFORZLPZED-UHFFFAOYSA-N 413.256 6.051 0 40 HKAB biogenic O=C1c2ccccc2N[C@@H](c2ccc(Cl)c(Cl)c2)N1c1ccc(Cl)cc1 5673049 DJVFLNRGEMVOTJ-LJQANCHMSA-N 403.696 6.418 0 40 HKAB O=c1c2cc(Cl)c(Cl)cc2c(-c2ccc(F)cc2)nn1-c1ccc(F)cc1 5675738 FSCIBGKKXPUNFE-UHFFFAOYSA-N 403.215 5.638 0 40 HKAB Cc1cccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)c1 6478890 ROKPUPFRTCAMBB-UHFFFAOYSA-N 408.457 5.974 0 40 HKAB CCCCCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)c1 6752955 PVMZJQQMMJWTDC-DEOSSOPVSA-N 419.525 5.307 0 40 HKAB COc1ccc([C@@H]2CCCN2Cc2cc(=O)oc3cc(C)c(Cl)cc23)c(OC)c1 7740081 XDHACBYXGFMUCW-FQEVSTJZSA-N 413.901 5.109 0 40 HKAB CC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 7928802 TYVAZAJWMJBPQS-ZDUSSCGKSA-N 406.309 5.249 0 40 HKAB CCOc1ccc([C@H](C)Nc2nc(C(F)(F)F)nc3ccccc23)cc1OCC 7989438 LMTZADGRDOUWJK-ZDUSSCGKSA-N 405.420 5.619 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](N[C@@H](C)c2ccc3c(c2)OCCO3)c2ccccc2)c1 8038399 PVBXKZOIFLATAT-DFBJGRDBSA-N 416.521 5.105 0 40 HKAB Cc1ccc(C)n1N(CC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1Cl 8475593 MUNWOHNUXKPSHF-UHFFFAOYSA-N 401.293 5.073 0 40 HKAB O=C(CSc1c(Cl)cccc1Cl)Nc1c(Cl)cccc1C(F)(F)F 8705200 NZTHIEHPYAVEQW-UHFFFAOYSA-N 414.663 6.396 0 40 HKAB O=C(/C=C/c1ccc(F)cc1)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 8916620 QOSHWYMRGXTFOL-GSXXRBPTSA-N 408.300 5.354 0 40 HKAB COc1cc(/C=C/C(=O)Nc2nc3ccccc3s2)ccc1OCc1ccccc1 9009964 KOOSRIRPXRWYOE-WYMLVPIESA-N 416.502 5.536 0 40 HKAB Cn1c(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1C(F)(F)F 9284642 CCKYNFDBVYMMFB-KRWDZBQOSA-N 416.428 5.032 0 40 HKAB Fc1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3ccc(Br)cc3)c12 9675912 HGRSQFKIJGCYGW-UHFFFAOYSA-N 418.269 6.142 0 40 HKAB COc1ccc2oc(-c3csc(NC(=O)c4ccc5ncsc5c4)n3)cc2c1 10883435 KNLHQWNWCWZZAZ-UHFFFAOYSA-N 407.476 5.427 0 40 HKAB O=C(/C=C\C(=O)Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl 12339982 LYENZPAFXQCIOX-WAYWQWQTSA-N 406.048 5.367 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc(-c2ccc(F)cc2)on1 12636972 LMKBDNOQFPUVJY-UHFFFAOYSA-N 411.820 5.028 0 40 HKAB SC1=NC2=C(CCC/C2=C\c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1 13686752 KVSPYRASURNEPV-LBKOFNPBSA-N 401.362 6.445 0 40 HKAB CC1=CC(C)(C)N2C(=O)[C@]3(SCC(=O)N3c3ccc(C)c(C)c3)c3cc(C)cc1c32 14671893 HBFLGNJVSZJSJG-RUZDIDTESA-N 418.562 5.087 0 40 HKAB Cc1ccc2cccc(SC(c3ccccc3)(c3ccccc3)c3ccccc3)c2n1 16348889 XZDWKUFTBYZYHF-UHFFFAOYSA-N 417.577 7.627 0 40 HKAB CSc1ccccc1C(=O)Nc1cc(C)nn1-c1nc(-c2cccs2)cs1 17012069 UYIZQGDEAHAWRB-UHFFFAOYSA-N 412.565 5.340 0 40 HKAB O=C(Nc1ccccc1N1CCCCC1)c1ccc(-c2ccc(Cl)cc2Cl)o1 17090232 KGVRZGDXAWXCEK-UHFFFAOYSA-N 415.320 6.496 0 40 HKAB Cc1cc(-c2cnc([C@@H]3CCCN(C(=O)C4CCCC4)C3)nc2-c2cccs2)on1 19124061 CNLNRSRRRXUPSR-QGZVFWFLSA-N 422.554 5.065 0 40 HKAB O=C([C@@H]1CC12CCC2)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)n3ccsc23)C1 19294190 UHXYHTUKAMTTGT-QAPCUYQASA-N 424.545 5.175 0 40 HKAB O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2CN(C3CCCCC3)CC[C@H]21 19406601 FHRDERBBCAPLFQ-DNVJHFABSA-N 400.632 5.277 0 40 HKAB COc1ccc(CC(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)cc1F 19691487 AJHJGKXUOANGSY-UHFFFAOYSA-N 418.512 5.153 0 40 HKAB Clc1ccccc1-c1n[nH]c(SCc2nnc(-c3ccccc3Cl)o2)n1 19928243 ZACVKTSQXYEJDE-UHFFFAOYSA-N 404.282 5.121 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2OCc2ccccc2)cc1 20112536 GKYYVMQKMJMRCZ-XMMPIXPASA-N 403.522 5.791 0 40 HKAB CC(C)OC(=O)c1cc(N)c2c(-c3ccc(F)cc3)c(-c3cccs3)sc2n1 20459390 MRSOCIZFRDJJLC-UHFFFAOYSA-N 412.511 5.978 0 40 HKAB Cc1c(Cl)cccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccccc1 27525613 ZGLQMORPFBRHOO-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB COc1ccc(CN(C(=O)c2oc3c(C)c(C)ccc3c2C)c2ccccn2)cc1 28293702 OQRBHCVJRZERQH-UHFFFAOYSA-N 400.478 5.609 0 40 HKAB COc1ccccc1CNC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 29506961 ZPALIUZTKNDZMZ-UHFFFAOYSA-N 402.425 5.086 0 40 HKAB CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@@H]1[C@@H]2C 30677936 QASFUMOKHFSJGL-BIXJLMAZSA-N 411.630 5.002 0 40 HKAB COc1cc2sc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)nc2cc1Cl 32126588 YIROMTSHLGJSEH-UHFFFAOYSA-N 419.289 6.124 0 40 HKAB CC(C)Oc1cccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)c1 32127232 ZJKKVNNPAPSECG-UHFFFAOYSA-N 422.484 6.688 0 40 HKAB CCCOc1ccc(OCCOC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 32910017 YCUSWEWOTOHNPX-UHFFFAOYSA-N 417.461 5.519 0 40 HKAB CCc1ccc(N2C(=O)/C(=C\c3c(OC)ccc4ccccc34)C(O)=NC2=S)cc1 33595987 CWFLXBPBXDQZOS-ZHZULCJRSA-N 416.502 5.082 0 40 HKAB CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 33743328 CBBTYFYDIIGNEG-OAHLLOKOSA-N 414.962 5.043 0 40 HKAB CCc1ccccc1OCCSc1nc2ccccc2n1Cc1cccc(C)c1 41076818 JEZRIXMHJAPEFZ-UHFFFAOYSA-N 402.563 6.127 0 40 HKAB O=C(Nc1cccc(CNc2ncc(C(F)(F)F)cc2Cl)c1)c1ccncc1 54836827 JCAVABCRVDSDFC-UHFFFAOYSA-N 406.795 5.013 0 40 HKAB CCc1ccc([C@H](NCC(=O)Nc2ccnn2C2CCCC2)c2cccc(F)c2)cc1 57270662 RPTIDLVECVXBKE-VWLOTQADSA-N 420.532 5.017 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1Cl 59418714 BGDAPEIECKMUJJ-ZRDDSIGQSA-N 420.295 5.087 0 40 HKAB COc1ccc(NC(=O)[C@H](Cc2ccc(C)cc2)c2nc3ccccc3s2)cc1 67240466 QMNXYXPEIOSPFE-FQEVSTJZSA-N 402.519 5.578 0 40 HKAB Cc1cc(Cl)ccc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1nccs1 67298204 CKWASFORAJQMCB-NMWGTECJSA-N 411.870 5.041 0 40 HKAB CCN(CC(=O)Nc1c(Cl)cc(Cl)cc1Cl)Cc1ccc2ccccc2n1 72308528 HMWZZKRFAWAESZ-UHFFFAOYSA-N 422.743 5.656 0 40 HKAB COc1ccc2oc(C(=O)Nc3ccc(Oc4cccc5[nH]ccc45)nc3)c(C)c2c1 72406214 DLVUCUFVNZUYLX-UHFFFAOYSA-N 413.433 5.671 0 40 HKAB Cc1cc(-n2cncn2)ccc1C(=O)O[C@H](C)c1sc(-c2ccc(F)cc2)nc1C 84090031 MAPJWEWBSGNEDM-OAHLLOKOSA-N 422.485 5.065 0 40 HKAB Cc1ccc(NC(=O)[C@@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)cc1Cl 96037518 SMJXCJMQMMITMZ-QHCPKHFHSA-N 422.960 5.164 0 40 HKAB CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@H]1C(=O)CCC(=O)[C@H]13 105366992 JPGGQHZUOUAFHK-OJXWGCGBSA-N 412.570 5.060 0 40 HKAB biogenic O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1ccc(OC2CCCC2)cc1 219469100 VYFHSTKQSQHWPD-UHFFFAOYSA-N 414.505 5.540 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(I)cc2)c1 222784602 WWTGPAQDFKKFKM-CQSZACIVSA-N 423.294 5.129 0 40 HKAB CCSc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1 223254594 LDENQIAEKRFXHU-HKWRFOASSA-N 406.507 5.110 0 40 HKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1nnc(SCc2ccccc2)s1 223263633 SZFGMLYKSGHJAA-QGZVFWFLSA-N 413.568 5.243 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223313580 YMOKTHSZKLMEOO-LJQANCHMSA-N 423.925 5.808 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccccc1C(C)(C)C 224167707 IOWJYVFDKXFPOY-UHFFFAOYSA-N 403.522 6.132 0 40 HKAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc(Cl)c(C)c1 224210828 YTQZDPPOKFTYDO-UHFFFAOYSA-N 423.940 6.414 0 40 HKAB CCCCc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1 224347815 ZKDVCVIFMMQICN-QJOMJCCJSA-N 402.494 5.340 0 40 HKAB CCN(c1ccc(C(=O)Nc2ccccc2C(C)C)cc1)S(=O)(=O)c1ccccc1 224359881 VONLELJDLRVIHE-UHFFFAOYSA-N 422.550 5.278 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccc(C)c(C)c1 224620375 UUXZXDBVBBGABT-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)Cc3cccc(Cl)c3)c2)cc1 224957739 OCXJXLXSMXKWAE-UHFFFAOYSA-N 405.925 6.050 0 40 HKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 225092438 NSWDPQGUBIPIAZ-RUZDIDTESA-N 420.597 5.102 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c2ccccc12 225756651 XUQILKVZIKXMJQ-UHFFFAOYSA-N 401.550 6.715 0 40 HKAB CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 253611324 YCOLBMWLTJDGRP-RVIXHOSRSA-N 416.348 6.467 0 40 HKAB O=C(c1n[nH]c2ccccc12)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257251633 JRNMYMKVVRSBQO-HXUWFJFHSA-N 420.900 5.163 0 40 HKAB CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 257348014 ARVGMISWLZPBCH-LFAJFISLSA-N 412.702 7.945 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3F)c(OC)c2)cc1 408553754 BQCPCKQEQJHJEE-UHFFFAOYSA-N 408.473 5.026 0 40 HKAB CCOc1cc(C(=O)Nc2ccccc2Oc2ccccc2)cc(Cl)c1OCC 408559461 ZWIOKIQTLKBTHA-UHFFFAOYSA-N 411.885 6.182 0 40 HKAB O=C(O)/C(=C/c1ccc(OCc2ccccc2F)cc1)Sc1nc2ccccc2o1 408634118 PGOADSUOMUJCFD-BKUYFWCQSA-N 421.449 5.764 0 40 HKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2F)cc1Cl 409117458 REHQWTSREJMFSY-UHFFFAOYSA-N 424.730 7.285 0 40 HKAB O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1cccc(Br)c1 409163122 MCBHUBLWGABAHU-OQLLNIDSSA-N 408.704 5.339 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)N1CCC(COc2ccncc2Cl)CC1 1889201615 UNIZKSALVFSQEW-UHFFFAOYSA-N 413.827 5.077 0 40 HKAB COc1ccccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(C)c(C)cc3o2)c1 841577 OKTHMOOOROYZKV-UHFFFAOYSA-N 406.869 6.026 0 40 HKAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 853552 FJFHIZUQYIBWHE-UHFFFAOYSA-N 400.865 6.010 0 40 HKAB Cc1ccccc1CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)c1ccccc1 1359509 AWAQCYXZDMMIPG-UHFFFAOYSA-N 424.544 5.338 0 40 HKAB CCc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 1380083 IKBNNRKHJRFAOO-QFIPXVFZSA-N 422.550 5.350 0 40 HKAB COc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(-c3ccc(C)cc3)cs2)cc1 1415691 VZRHHFPBXQTYDP-UHFFFAOYSA-N 415.440 5.999 0 40 HKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(NC[C@H]4CCCO4)ncnc32)cc1 1447740 ALSOTDFNRXSEJA-OAQYLSRUSA-N 414.509 5.077 0 40 HKAB O=C1N(C2CCCCC2)[C@H](/C=C/c2ccccc2)C1(c1ccccc1)c1ccccc1 1586920 QIYGYEUUHVKTEQ-MTEPZQBTSA-N 407.557 6.230 0 40 HKAB Cc1ccc(N2C(=O)C(Cl)=C(N(Cc3ccccc3)Cc3ccccc3)C2=O)cc1 1766021 KWJAIFCBLMJLDY-UHFFFAOYSA-N 416.908 5.021 0 40 HKAB CCCCN(CC)c1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 1814333 QSFWZOUXLISCFX-UHFFFAOYSA-N 412.603 5.841 0 40 HKAB CC(C)(C)c1cc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc(C(C)(C)C)c1 1864837 UJFMFEHUYTXXOM-UHFFFAOYSA-N 414.545 6.732 0 40 HKAB CCSc1nc2c(c(=O)n1-c1ccccc1OC)C1(CCCC1)Cc1ccccc1-2 2300895 VTRHHYPXKGJXGV-UHFFFAOYSA-N 418.562 5.388 0 40 HKAB Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccc(C)cc2)cc1 2445135 DDASXBHNQLURTM-UHFFFAOYSA-N 405.954 6.497 0 40 HKAB CCCCN(CCCC)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3183151 MIMRSNJDIQJXDP-UHFFFAOYSA-N 409.961 6.235 0 40 HKAB C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)OCO2 3230478 HYYPBGJHSMMEAC-OAHLLOKOSA-N 413.926 5.404 0 40 HKAB CCCCc1ccc(N(C(=O)c2ccccc2Cl)c2nc3ccccc3s2)cc1 3239608 IASDGASWALKMJO-UHFFFAOYSA-N 420.965 7.271 0 40 HKAB O=C(OCc1cccc(C(F)(F)F)c1)c1ccc(-c2nc3ccccc3s2)s1 3319059 FIABLUULLCYWKB-UHFFFAOYSA-N 419.449 6.401 0 40 HKAB CCCCOc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 3633482 VCYSIEFCXDSEBT-DEOSSOPVSA-N 422.550 5.181 0 40 HKAB CCCCCCSc1nnc2c(n1)O[C@@H](/C=C/c1ccco1)Nc1ccccc1-2 3772514 IPOYLCFYDPZNOI-HYSAVQALSA-N 408.527 5.648 0 40 HKAB CCC(=O)N(CC[C@H](C(C)C)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 4046675 FCOZMFBWWWZEKA-LADGPHEKSA-N 417.634 6.080 0 40 HKAB biogenic Cc1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1C 4663126 HZCQPAYZQLTBRI-UHFFFAOYSA-N 401.513 6.885 0 40 HKAB Cc1c(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c2ccccc2n1C 4676342 OGWODVHFKQVKOD-GRSHGNNSSA-N 414.889 5.516 0 40 HKAB CCOc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3cccnc3)C[C@H]21 4715645 CZRHEJYNSYDFIT-NFBKMPQASA-N 405.885 5.376 0 40 HKAB Cc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccc(F)c(Cl)c2)cc1 4891567 IWLWLEVSMOPPGU-UHFFFAOYSA-N 403.910 5.097 0 40 HKAB COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 5442878 PXZBXUACWJKEFM-WMZHIEFXSA-N 412.917 5.177 0 40 HKAB biogenic O=C(c1ccccc1Cl)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 5446619 PWLRFSGCYPTTSM-TXJNIUHXSA-N 406.869 5.963 0 40 HKAB O=C(COc1ccccc1Cl)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 5752506 GOCYSQMTPKSLKM-GOSISDBHSA-N 415.276 5.343 0 40 HKAB O=C(OCCOc1ccccc1F)c1oc2ccccc2c1COc1ccccc1 5937842 IEUSEPKEDFBOKG-UHFFFAOYSA-N 406.409 5.387 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)c1 6261056 BCPOGKSODGBMPU-UHFFFAOYSA-N 409.294 5.386 0 40 HKAB CCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 7262324 USTXPEXNJIBUCU-UHFFFAOYSA-N 402.749 6.124 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1sc(C)nc1C 7995466 YBZQHRQBBKYQGW-UHFFFAOYSA-N 414.552 5.534 0 40 HKAB CC(=O)c1ccc(OCCCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 8279837 KUFHVGYJZRWCIE-FQEVSTJZSA-N 408.523 5.022 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)c1 8346981 NDQIRRGPZJEUBB-OAHLLOKOSA-N 421.522 5.313 0 40 HKAB COc1ccc(CCNCc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 8474388 UZMDSWPXEXMNGX-UHFFFAOYSA-N 411.929 5.269 0 40 HKAB COc1cccc(CC(=O)Nc2ccc(-c3nc4ccccc4n3C(F)F)cc2)c1 9319143 CGGVKXIOJJGYQJ-UHFFFAOYSA-N 407.420 5.288 0 40 HKAB CC(C)n1c(NC(=O)c2ccco2)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 9327820 XRQVULNGXBIHSL-UHFFFAOYSA-N 406.869 5.748 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)/C=C/c1cccc(F)c1)CC2 9666850 JCYMPUPCJCPAML-KDLSMAQYSA-N 423.509 5.092 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1OCc1cn2cccc(C)c2n1 11374022 RZVUEQUNFUORKE-UHFFFAOYSA-N 405.885 5.436 0 40 HKAB CC1(C)[C@@H](C(=O)Nc2nnc(SCc3ccccc3)s2)[C@@H]1C=C(Cl)Cl 12062933 HCBNOYWDHHNSGA-WCQYABFASA-N 414.383 5.360 0 40 HKAB Cc1cnc(NC(=O)c2ccccc2Sc2ncnc3sc4c(c23)CCC4)s1 12552355 NNMUWVZLBWITKV-UHFFFAOYSA-N 424.576 5.348 0 40 HKAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 12780685 MNNHXNTZLQZPLJ-AWEZNQCLSA-N 400.931 5.123 0 40 HKAB O=C(COc1cccc(Br)c1)Nc1ccccc1SCC(F)(F)F 12906742 DGROGZRVAMTLCP-UHFFFAOYSA-N 420.250 5.121 0 40 HKAB Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cccc(Cl)c3)[C@@H]2c2cccs2)cc1 13096695 LLDJTMQXNIEOIY-SIKLNZKXSA-N 424.953 5.833 0 40 HKAB CCCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N\c1ccccc1 13643857 JRKWJLJZAJNGAP-QPLCGJKRSA-N 413.546 6.111 0 40 HKAB COc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1 13946198 BPTZKCWNBUECPG-UHFFFAOYSA-N 400.482 5.113 0 40 HKAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 14689012 ZLWIDHGWCAVRDK-UHFFFAOYSA-N 417.334 5.495 0 40 HKAB CCc1ccc(OCC(=O)N(C)[C@H](c2cccs2)c2c[nH]c3ccccc23)cc1 15835612 JCYQSISRNITIJU-DEOSSOPVSA-N 404.535 5.419 0 40 HKAB CCCCc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccccc3)c2=O)cc1 15883302 ZVMWOYZVWJXSCP-UHFFFAOYSA-N 411.505 5.040 0 40 HKAB COc1ccc(S[C@@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2)cc1OC 16227574 FSCJESPLOZDUTD-QHCPKHFHSA-N 412.938 6.464 0 40 HKAB CC(C)(C)Cc1ccc(OCC(=O)Nc2ccc(Cl)c(N)c2)cc1CC(C)(C)C 16322834 RFDBBZMPSWJKJQ-UHFFFAOYSA-N 416.993 6.117 0 40 HKAB CCOP(=O)(OCC)c1nc(-c2ccc(C)cc2)oc1NCc1ccc(C)cc1 16750719 PKFOARPBBNOOPR-UHFFFAOYSA-N 414.442 5.462 0 40 HKAB Cc1ccc(Cc2ccc([C@@H]3CCCN3C(=O)c3cccc4ncccc34)nc2)cc1 19687923 VMGAVINSARIBHA-SANMLTNESA-N 407.517 5.506 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(CSc3nnc(COc4ccccc4)o3)o2)cc1 19929077 QCISUOKFWXEFOY-UHFFFAOYSA-N 422.510 5.288 0 40 HKAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 20110322 NCIRUYHULGMCQL-SNVBAGLBSA-N 419.852 5.495 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)Nc1cc(C(=O)O)ccc1Cl 20145410 YGIXXVUXUHMZIQ-XBXARRHUSA-N 420.223 5.743 0 40 HKAB CSc1nc(SCCCc2ccccc2)c2c3c(sc2n1)CN(C)CC3 20358277 MRZFTJGMXRKNEH-UHFFFAOYSA-N 401.626 5.126 0 40 HKAB C[C@@H](NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1)c1cccs1 23079545 LINZSYXUYIOBNC-MRXNPFEDSA-N 416.612 5.122 0 40 HKAB C[C@H](NC(=O)Cc1ccccc1)c1nc2ccccc2n1Cc1c(F)cccc1Cl 27587779 WVVUEYLHUJCWIM-INIZCTEOSA-N 421.903 5.297 0 40 HKAB Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)N3CCCCC3)c(C)c2cc1Cl 27991540 ZEOMDWSAHNAJHL-SFHVURJKSA-N 416.974 5.722 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1F 30864320 FXTLSYXWLOPSQY-HNNXBMFYSA-N 402.716 5.751 0 40 HKAB O=C1C[C@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1Cl 36635893 FURVABLBWBUSJX-ZDUSSCGKSA-N 404.080 5.044 0 40 HKAB Cc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)c1 44880343 CPGSIZJTFMCZRT-SFHVURJKSA-N 409.982 6.740 0 40 HKAB COc1ccc(S[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OC 44902711 UCFIANDHXROBTR-VIFPVBQESA-N 420.745 5.783 0 40 HKAB O=C1C2=C(CCCC2)[C@H](N[C@@H]2CCCc3ccccc32)N1CCc1ccc(Cl)cc1 57256213 JDUZKWIQKHHAOK-JWQCQUIFSA-N 420.984 5.589 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(-c3cccnc3)nc2c1 59477613 WITBAWNMCLNMMP-JLHYYAGUSA-N 407.429 5.802 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1F 67294519 MQNHVXLMJLJKSJ-QYQHSDTDSA-N 410.807 5.849 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2C(F)(F)F)nc1 67296571 BCSGEPUVFKHCQZ-SLMZUGIISA-N 423.394 5.640 0 40 HKAB O=C(c1ccncc1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72349154 KRZRZQXNZNYJQY-GOSISDBHSA-N 411.427 5.182 0 40 HKAB OC1=C2C(=Nc3ccccc3N[C@@H]2c2c(F)cccc2Cl)C[C@@H](c2ccccc2)C1 100425752 BZUIDZMGGAPFRG-PUAOIOHZSA-N 418.899 7.108 0 40 HKAB C[C@H](Oc1ccccc1)c1nc2ccccc2n1CC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102263982 ZUVQMTWYRSFTPO-HVAMYJMISA-N 417.553 5.117 0 40 HKAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cc2ccccc2o1 106119958 IHDAIZYRIWXYGZ-UHFFFAOYSA-N 416.820 5.139 0 40 HKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 106688368 NFYLHYJSXDKMRZ-UYRXBGFRSA-N 401.915 5.755 0 40 HKAB CCOc1cc(C(=O)Nc2ccccc2CC)cc(Cl)c1OCc1ccc(C)cc1 108019034 IGRWNEAGAKAVLF-UHFFFAOYSA-N 423.940 6.441 0 40 HKAB COc1cccc2cc(C(=O)N3CCS[C@H](c4ccccc4Cl)CC3)oc12 211146029 DYHXCCWCDPTCSM-IBGZPJMESA-N 401.915 5.415 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc(C)c1Cl 218918364 VHVLRGHRUISYLR-UHFFFAOYSA-N 411.954 6.267 0 40 HKAB Cc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 224002469 IHWMGRQVJYBGOT-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 224209832 IQKLTWZPCSJBTH-RPWUZVMVSA-N 416.594 5.874 0 40 HKAB CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccc(Cl)cc1 224496631 TXRAVCOUXAEFDQ-UHFFFAOYSA-N 413.945 5.938 0 40 HKAB Cc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)cc1Cl 225340974 HYAZGOLACNFXLQ-UHFFFAOYSA-N 419.830 6.175 0 40 HKAB Cc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 226756151 VSGKCMNGHHBMLU-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB CCCCn1nc(-c2cc(C(=O)O)ccc2OCCC)cc1-c1ccccc1OCC 257276747 NUYDEIYUCWQIBF-UHFFFAOYSA-N 422.525 5.903 0 40 HKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1Cc1ccccc1 260786509 XUEQYDRPRPVQGM-NLSFWIRASA-N 402.567 5.138 0 40 HKAB Cc1cc(/C=C/[N+](=O)[O-])c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 408817585 NOVZTSZNVDWXMO-OUKQBFOZSA-N 421.522 5.534 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Cl 409008707 AXPPXLNEYXWHOP-LPXFMOJISA-N 419.905 5.893 0 40 HKAB Cc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)c1 409120021 SGTXWSYWLRIWQE-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB CC[C@@H](C)n1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c2ccccc21 409132296 ZEPNECJFBZDYTL-OZHVRZOASA-N 418.562 6.281 0 40 HKAB CCc1ccc(CNc2ccc(NC(=O)[C@H](C)n3nc(C)cc3C)c(Cl)c2)cc1 532888834 FUSHDHBGWFFCMG-KRWDZBQOSA-N 410.949 5.528 0 40 HKAB CC1=CC(C)(C)N(S(=O)(=O)c2ccc(Br)cc2)c2cc(C)ccc21 663019 KWIPDZJUTQIEPB-UHFFFAOYSA-N 406.345 5.148 0 40 HKAB O=S(=O)(c1ccc2ccccc2c1)n1cnc(-c2ccccc2)c1-c1ccccc1 713463 KYCZXUHLTHAYMH-UHFFFAOYSA-N 410.498 5.607 0 40 HKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4cccc(OC(C)C)c4)c3)nc2c1 849007 LSVRZRGKLBFJPA-UHFFFAOYSA-N 400.478 6.151 0 40 HKAB CC[C@@H](C)OC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 957143 LAOLKFZLBLZEPC-SJORKVTESA-N 410.466 5.311 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccccc2OCC)sc2c1CC[C@@H](CC)C2 1102659 XIYIUDIOJFBPKM-CQSZACIVSA-N 401.528 5.091 0 40 HKAB COc1c2c(cc3c1[C@@H]1Oc4c(ccc(O)c4CC=C(C)C)[C@H]1CO3)OC(C)(C)C=C2 1768124 FUNJPZFUOULIEZ-IQGLISFBSA-N 420.505 5.703 0 40 HKAB biogenic COC(=O)c1c(NC(=O)c2ccccc2CCc2ccccc2)sc2c1CCCC2 1891935 GLSTVFNFGNDIFN-UHFFFAOYSA-N 419.546 5.451 0 40 HKAB CCCCc1cc(=O)oc2c(C)c3occ(-c4ccc(Br)cc4)c3cc12 2146047 LNOMTSQDNZRXRX-UHFFFAOYSA-N 411.295 6.620 0 40 HKAB biogenic CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1c(Cl)cccc1Cl 2195060 MBRHLBQTAYCGBD-IQGLISFBSA-N 402.258 5.081 0 40 HKAB CC(C)(C)c1ccc(CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1 2232529 DKDOBTGKGQBYDI-UHFFFAOYSA-N 400.551 5.919 0 40 HKAB CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)COc1ccccc1 2270276 OYTQRXUHHDXFJK-SANMLTNESA-N 419.952 6.240 0 40 HKAB Cc1ccc(-n2c(N)c(C(=O)Nc3ccccc3)c3nc4ccccc4nc32)cc1C 2290682 ROIBKWYKPKHPME-UHFFFAOYSA-N 407.477 5.025 0 40 HKAB COc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2cccc(C)c2)cc1 2444669 WRGWYMORESTUGP-UHFFFAOYSA-N 405.498 5.683 0 40 HKAB O=C(CCCSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc(F)cc1 2620116 AXMRYCSVJUTQLU-UHFFFAOYSA-N 407.470 5.422 0 40 HKAB CCCc1ccc(C(=O)[C@@H](C)OC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1 2655998 LKWZTTUWOTYRQE-QGZVFWFLSA-N 424.928 5.274 0 40 HKAB O=S(=O)(c1ccccc1)c1nc(-c2ccccc2Cl)oc1N1CCCCCC1 2696708 KPXGJEBXBLUKGG-UHFFFAOYSA-N 416.930 5.208 0 40 HKAB Cc1ccc(NC(=O)COC(=O)c2ccccc2-c2nc3ccccc3s2)c(C)c1 3247006 IJIXAIRHQVZOGL-UHFFFAOYSA-N 416.502 5.376 0 40 HKAB COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1Cl 3261674 PUKMNTCKBHNFKR-UHFFFAOYSA-N 415.877 5.449 0 40 HKAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1 3276105 UOVDKEQSFLZAOD-UHFFFAOYSA-N 402.494 5.523 0 40 HKAB COC(=O)c1ccc(COc2ccc(/C=C3/Sc4ccccc4NC3=O)cc2)cc1 3309437 LLANNRMMBYHVLQ-HYARGMPZSA-N 417.486 5.138 0 40 HKAB Cc1cc(C)c2c3ccccc3n(CCNC(=S)Nc3cccc(Cl)c3)c2n1 3765457 BSROYNFJKKNNBX-UHFFFAOYSA-N 408.958 5.446 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1 3770796 NNBCXYWGRAJYNQ-UHFFFAOYSA-N 400.478 6.234 0 40 HKAB O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1)NC1CCCCCC1 4085211 BVXCAYVKJUWIOK-NTCAYCPXSA-N 401.909 5.910 0 40 HKAB COc1ccc(C(=O)N2c3ccccc3[C@@](C)(c3ccc(Cl)cc3)CC2(C)C)cc1 4616902 BELNSFNLABHWLS-AREMUKBSSA-N 419.952 6.484 0 40 HKAB aggregator CCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(-c2ccc(OC)cc2)s1 4881090 MBWCFPVRCRAZOG-UHFFFAOYSA-N 409.555 5.568 0 40 HKAB CC(C)OCCCn1c(-c2ccc(Cl)cc2Cl)nc2nc3ccccc3nc21 5215879 KACMIYOKFKFLRQ-UHFFFAOYSA-N 415.324 5.768 0 40 HKAB COc1ccc2nc(N(Cc3ccccn3)C(=O)c3cccc(Cl)c3)sc2c1 5265107 STDOTRVPSZDXDF-UHFFFAOYSA-N 409.898 5.200 0 40 HKAB CCn1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c2ccccc21 5274470 ZJDYCGKUIKBZGS-SAPNQHFASA-N 405.501 5.839 0 40 HKAB CCCCCCNc1ncnc2c1sc1nc(CCC)c3c(c12)CC(C)(C)OC3 5808020 UTVWXHGDSZUPRR-UHFFFAOYSA-N 412.603 6.036 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 6026590 IPNGGPZTAMYMFC-UHFFFAOYSA-N 418.537 5.640 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(Oc2ccccc2)c1 6496037 RSWFFMRNWJFYHT-UHFFFAOYSA-N 406.441 6.539 0 40 HKAB COc1ccccc1CSCc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 7809716 ZXLVQJDPQAGINK-UHFFFAOYSA-N 412.511 5.233 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)cc1C 7882320 UQKRFGYSUSYXOK-SFHVURJKSA-N 418.468 5.226 0 40 HKAB Cc1nc2ccccc2n1CCNC(=O)c1ccccc1SCc1ccccc1F 8707705 GWRFSYSUVGRIFC-UHFFFAOYSA-N 419.525 5.206 0 40 HKAB Clc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3-c3nc4ccccc4n32)cc1 8996324 MGROYFGITBLJCU-HHHXNRCGSA-N 421.931 6.924 0 40 HKAB CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C2CCCCC2)cc1 9461707 WIYFCSVHAISSHO-UHFFFAOYSA-N 418.537 5.349 0 40 HKAB CC[C@]1(C)N=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)C(c2ccccc2)=N1 9599229 OVPUMXOPHAGRBX-FQEVSTJZSA-N 420.365 5.693 0 40 HKAB Cc1ccc(-c2nc(-c3ccc(F)cc3)c(SCC(=O)NCc3ccco3)[nH]2)cc1 9674116 VJGFBVCZVPNZCE-UHFFFAOYSA-N 421.497 5.193 0 40 HKAB Cc1ccc(CCCNC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 10110395 QZBQBMMGHUSPOV-HKOYGPOVSA-N 400.478 5.193 0 40 HKAB CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 10314194 CQKSOLHVTPHVAT-UHFFFAOYSA-N 422.550 5.182 0 40 HKAB Cc1cc(C)c(C(=O)CSc2nnc(-c3cccc(Br)c3)o2)c(C)c1 12792574 ZTGPQMRVNDXKRU-UHFFFAOYSA-N 417.328 5.399 0 40 HKAB C[C@H]1c2ccsc2CCN1C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 12879992 OQUYPHMGYAOLHO-INIZCTEOSA-N 424.591 5.073 0 40 HKAB CSc1nc(-c2ccccc2)c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)s1 12890434 GXNHLAVLRFZCBS-UHFFFAOYSA-N 418.971 5.982 0 40 HKAB Cc1ccc2c(C)c(CCC(=O)Nc3c(C(C)C)cccc3C(C)C)c(=O)oc2c1 12973453 FWKIQXMZKZKOGV-UHFFFAOYSA-N 405.538 6.228 0 40 HKAB Cc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)cc1C 16311964 DYZQFEUCMGXTKL-UHFFFAOYSA-N 406.489 5.751 0 40 HKAB CC1(C)CC(NC(=S)Nc2cc(Cl)ccc2Oc2ccccc2)CC(C)(C)N1 17091295 BDYPUWHZKFSCNN-UHFFFAOYSA-N 418.006 5.728 0 40 HKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cccc2ccccc12 17093065 UYUTVIMHFIPUBM-UHFFFAOYSA-N 422.484 6.526 0 40 HKAB Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)cc1 17150034 OCXVNJOZYOAKTN-UHFFFAOYSA-N 402.497 6.638 0 40 HKAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN3C(=O)c3cn4cccc(C)c4n3)c2)c1 19691942 HCKJPXXSVQNTPZ-RUZDIDTESA-N 424.548 5.223 0 40 HKAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(OCc2ccccc2)cc1 20144984 WZQWHTRACRHUKZ-UHFFFAOYSA-N 416.260 5.523 0 40 HKAB Cc1c(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)oc2ccc(F)cc12 21209466 NCBTXMKHNONJRQ-UHFFFAOYSA-N 407.401 5.047 0 40 HKAB C[C@H](NC(=O)CSC1=Nc2ccccc2CS1)c1ccc(Cl)cc1Cl 21627540 BLIBDPIZKFSQJL-NSHDSACASA-N 411.379 5.838 0 40 HKAB Cc1cc(C)c2nc(-n3nc(C)cc3NC(=O)c3ccc4ncsc4c3)sc2c1 21686546 AUOYWBXSPPGCBD-UHFFFAOYSA-N 419.535 5.269 0 40 HKAB COc1cc(CN[C@H](C)[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccs1 22107582 FKNRXMIRVXGEBF-VFNWGFHPSA-N 417.958 5.201 0 40 HKAB COc1cc(Cl)c(C)cc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 22258522 AKVJMISZNICFFN-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)Sc4cccc[n+]4[O-])cc3)sc2c1 23515362 TZNUCCJIMKAMBF-OAHLLOKOSA-N 421.547 5.024 0 40 HKAB CCN(CC)C(=O)c1cccc(NC(=O)CCCCc2nc3ccccc3s2)c1 23793274 BCFZFWJPFOTVCF-UHFFFAOYSA-N 409.555 5.130 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCSc1ccc(Cl)cc1 30755426 RVRZOBVLDIVHIX-UHFFFAOYSA-N 420.814 5.789 0 40 HKAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1cccc(Oc2cnccn2)c1 32029122 DTVOLNOUZNZVJH-UHFFFAOYSA-N 422.897 5.607 0 40 HKAB Cc1cc(Br)ccc1NC(=O)Cn1ccc2cc(Br)ccc21 32124784 UFZHUMUOQIEGKY-UHFFFAOYSA-N 422.120 5.113 0 40 HKAB Cc1ccc(C)c(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 33451151 FEESJFUBRJYWQV-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB Cc1ccc(-n2c(-c3ccc(Br)cc3)cnc2SC2CCCC2)cc1 44085568 KVMPSHRBIIJGJR-UHFFFAOYSA-N 413.384 6.645 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 44885341 KLTKSMLKHMTOTL-HNNXBMFYSA-N 419.171 6.265 0 40 HKAB C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 48362440 DGTLJMKUAREVQN-YCRPNKLZSA-N 407.514 5.118 0 40 HKAB CC(C)[C@@H](N[C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc(C2CCCCC2)cc1 49590269 OGZOQJPESBARSQ-HOYKHHGWSA-N 403.570 6.019 0 40 HKAB CC(C)[C@@H](NC(=O)Nc1cc(C(=O)N2CCCC2)ccc1Cl)c1cccs1 58357144 MUYZAKKZGBTBPJ-GOSISDBHSA-N 405.951 5.156 0 40 HKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1)c1ccc(F)cc1 59417215 PNYRACYDQHXYMS-UHFFFAOYSA-N 409.766 6.543 0 40 HKAB Cc1nc(-c2ccc(Cl)s2)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 63958658 QZCODXULWQBSJO-UHFFFAOYSA-N 424.979 5.179 0 40 HKAB CCN(C(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12)c1ccccc1 67289734 HHPCAWJKKITACZ-UHFFFAOYSA-N 416.550 5.158 0 40 HKAB COc1cccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2ccsc2)c1OC(F)F 72273092 ZRBFRKHXIYJXLO-QGZVFWFLSA-N 423.868 5.531 0 40 HKAB Cc1cc(Nc2nccs2)cc([C@H]2CCCN2C(=O)c2cccc3ncccc23)n1 72372561 CUTSXRYYAINDRN-OAQYLSRUSA-N 415.522 5.116 0 40 HKAB CCc1nn2c(=O)cc(CSc3ccc(Cl)cc3)[nH]c2c1-c1ccc(F)cc1 100071934 TXCYCYYOSQRFLH-UHFFFAOYSA-N 413.905 5.337 0 40 HKAB O=C1[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1 139158360 VXKOXQSDVLPQFM-MNHALERFSA-N 421.471 5.249 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)cc1 222835220 SFDSXOPMRUBWMO-QHCPKHFHSA-N 409.526 5.318 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)c1 224319654 OUUVJSOWAWRIIM-BJKOFHAPSA-N 416.594 5.792 0 40 HKAB CCCC(=O)N(Cc1ccccc1F)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225389118 QOTMEJVHXHVAHY-DEOSSOPVSA-N 424.560 5.015 0 40 HKAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1Cl 225511573 ICWHCKSTWBFFGG-KRWDZBQOSA-N 401.934 5.513 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCN3CCCCCC3)cc2)CCC(C)CC1 225668890 JCXAVRULRCZROO-UHFFFAOYSA-N 416.606 5.255 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(C(=O)OCC)c1 225847973 KORCWSLVLOSJEY-HSZRJFAPSA-N 407.551 5.356 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1N1C[C@@H](C)C[C@H](C)C1 226330861 SLHOEBBYQQIAHJ-STQMWFEESA-N 406.357 5.619 0 40 HKAB CCOC(=O)/C=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 226341094 VPCAIDQXVKQUGQ-VOTSOKGWSA-N 413.670 5.397 0 40 HKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)c3[nH]nc4c3CCCCC4)C2)n1 257294165 QSWAHZKPNMQBMB-HXUWFJFHSA-N 414.553 5.069 0 40 HKAB CC(C)c1ccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)cc1 408676373 NKWVUIOUNHSLLS-UHFFFAOYSA-N 400.453 5.690 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(Cl)cc2)cc1 408697968 KMGJWOGNBWQEFA-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB COc1cc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)ccc1O 408816426 YRMPRZJNMFESQP-GTIBLAOASA-N 423.558 5.455 0 40 HKAB O=C(Nc1cccc2ccccc12)c1sc2cc(Cl)cc(Cl)c2c1Cl 408973293 YEUGNOWTFCRMFZ-UHFFFAOYSA-N 406.721 7.267 0 40 HKAB Cc1ccccc1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 409119774 UERPARYEOCTZSH-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@@H](c2ccccc2)S3)cc1 409204093 AXNWVJGPVJHQOL-HSZRJFAPSA-N 412.518 5.265 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1C[C@H](C(C)C)O[C@H]2C(C)C 524735020 ZLLLZZNKVKHPTF-PBHICJAKSA-N 421.584 5.533 0 40 HKAB CCCN1CCCCCOc2ccc(C(=O)NCC3CC3)cc2Cc2cccc(c2)C1 2037949541 WGKVHKYDSOAFKF-UHFFFAOYSA-N 420.597 5.192 0 40 HKAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4c5ccccc5C[C@@H]4C)c3n2)cc1 815343 XKBLXGGMIBMUFN-HNNXBMFYSA-N 418.447 5.234 0 40 HKAB COc1ccc(Br)cc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 850286 WVYYCYVMJZOUDH-UHFFFAOYSA-N 423.266 5.518 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)c1 924489 CUUYMJFQDVHVDA-UHFFFAOYSA-N 421.570 5.193 0 40 HKAB COc1ccc(COc2ccc3c(=O)c(-c4ccccc4OC)c(C)oc3c2)cc1 1321614 XSMPHZCSHJWFGA-UHFFFAOYSA-N 402.446 5.365 0 40 HKAB biogenic CCC(C)(C)Nc1c(-c2ccc(NC(=O)c3cccs3)cc2)nc2ccc(C)cn12 1347580 NWDPAGJGJXEBPU-UHFFFAOYSA-N 418.566 6.224 0 40 HKAB Cc1ccc(SCc2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)cc1 1400649 VIYLMQDAPVRMRG-UHFFFAOYSA-N 421.953 5.929 0 40 HKAB aggregator COc1cc2ccccc2cc1C(=O)Nc1cc(-c2nc3ccccc3s2)ccc1C 2059414 XBSOYTQVXVIVFW-UHFFFAOYSA-N 424.525 6.686 0 40 HKAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1cc(SC)ccc1Cl 2655411 SUJUZTICXYMSMJ-UHFFFAOYSA-N 421.946 5.164 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H](Sc1ccccc1)c1ccccc1 2742252 ADAIDLFPVAZZHO-VWLOTQADSA-N 411.526 6.951 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1cn(-c2ccccc2)nc1-c1ccccc1 3173786 MOOOMVNFEZXYHD-UHFFFAOYSA-N 408.288 6.098 0 40 HKAB CCc1ccc(C(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 3226269 SIDWQRJSJQLJEV-UHFFFAOYSA-N 423.321 5.493 0 40 HKAB CC(C)Cn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccccc1F 3411994 OHUPMKXKGBVACW-UHFFFAOYSA-N 409.490 5.083 0 40 HKAB COc1ccc(CNCC[C@]2(c3ccc(C)cc3)CCO[C@H](C(C)C)C2)cc1OC 4042707 GWPSIOLHWSVBIJ-UIOOFZCWSA-N 411.586 5.265 0 40 HKAB biogenic Fc1ccc2c(c1)C(c1cccs1)=NNC(c1ccc(Br)cc1)=N2 4168565 GAZIDJXKKYXHKX-UHFFFAOYSA-N 400.276 5.084 0 40 HKAB Cc1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)c2ccccc2n1 4241718 BOIDSOMRMNVVPA-UHFFFAOYSA-N 415.543 5.860 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2C(N)=O)C1 4628702 KQARDHCXFOGAFT-CGTJXYLNSA-N 410.583 5.130 0 40 HKAB Cc1ccc(C2=NN(C(=O)Nc3cccc(Cl)c3)[C@@H](c3ccc(C)cc3)C2)cc1 4666096 LNHZTLNSARLWBQ-HSZRJFAPSA-N 403.913 6.340 0 40 HKAB CNC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CC[C@H](C)C2 5055571 OQQIXJCDPFEPQV-JTQLQIEISA-N 418.971 5.353 0 40 HKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@@H](c2ccccc2Cl)N1 5072169 VQPAPGIDJWTKDE-OAQYLSRUSA-N 400.869 5.139 0 40 HKAB CCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)c1 6204728 SYIGUJFYAOJJPA-UHFFFAOYSA-N 414.509 5.332 0 40 HKAB O=C(N[C@@H]1CCSc2ccccc21)c1ccccc1OCCOc1ccccc1 7780496 NBDUMCGWAGJHOJ-OAQYLSRUSA-N 405.519 5.111 0 40 HKAB CC(C)[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C)c1ccc2c(c1)OCCCO2 7781098 HVPOOSQXFDUWOA-PKTZIBPZSA-N 415.961 5.754 0 40 HKAB O=C(NC1CC1)c1cccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 8340408 QSKOKXDOWLUITR-DEOSSOPVSA-N 409.489 5.096 0 40 HKAB O=C(CN(C1=NCCCCC1)c1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 8436372 XAVBTAPWFLIPFX-UHFFFAOYSA-N 416.952 6.669 0 40 HKAB Cc1ccccc1COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1 8971657 BAIYBYWAUYDJRV-UHFFFAOYSA-N 404.897 6.299 0 40 HKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccco2)n(Cc2ccccc2)c1C 8990506 IYZXCPWIXCYJCX-UHFFFAOYSA-N 410.477 5.542 0 40 HKAB O=C(NCc1cn2ccsc2n1)c1cc(-c2ccccc2Cl)nc2ccccc12 9373375 AKUDGMDGNUTTAI-UHFFFAOYSA-N 418.909 5.194 0 40 HKAB Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)n2C)c1 9544930 GKQCLGWOYNBUDY-LBPRGKRZSA-N 421.353 5.217 0 40 HKAB CC(CNC(=O)c1ccc(NC(=O)c2ccco2)cc1)(c1ccccc1)c1ccccc1 9609775 QWKYMESJINWKCV-UHFFFAOYSA-N 424.500 5.268 0 40 HKAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cccc(OCCC(C)C)c1 12062886 QGWPGYVYOOAYOT-HSZRJFAPSA-N 419.521 5.482 0 40 HKAB COc1ccc(CCNC(=O)Cc2cnc(-c3c(Cl)cccc3Cl)s2)cc1 12322118 AWYQKQBCBCWAAV-UHFFFAOYSA-N 421.349 5.027 0 40 HKAB CCN1CCN(c2ccccc2NC(=O)c2sc3cccc(C)c3c2Cl)CC1 12527908 APWGZNKERUPQDO-UHFFFAOYSA-N 413.974 5.257 0 40 HKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 12546459 ISLIDAXCJNGPGJ-UHFFFAOYSA-N 416.531 5.747 0 40 HKAB COc1ccc2cc(CNc3cccc(NC(=O)c4ccco4)c3)c(Cl)nc2c1 12639418 JQBIRMNDZJCIHR-UHFFFAOYSA-N 407.857 5.354 0 40 HKAB CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2CCCOc2ccccc2)cc1 13648020 YKPCZOYBMJHOHH-QFIPXVFZSA-N 412.577 6.856 0 40 HKAB COc1ccc(C(=O)c2oc3cc(NC(=O)C4CCCCC4)ccc3c2C)cc1OC 15729385 JNZDVZHAVGCELB-UHFFFAOYSA-N 421.493 5.508 0 40 HKAB biogenic CCOc1ccc(-n2c3c(c(SCc4ccccc4Cl)nc2=O)CCC3)cc1 15840502 PSACWJJMJCCMDN-UHFFFAOYSA-N 412.942 5.066 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c(C)c1CN[C@H](C)c1nc2ccccc2n1C(C)C 19715477 JCELBTNQLDZRAA-QGZVFWFLSA-N 405.521 5.410 0 40 HKAB CC(C)COP(=O)(OCC(C)C)[C@H](NCc1ccccc1)c1ccccc1F 20131269 SJOMLCCZEGWWRA-QFIPXVFZSA-N 407.466 6.152 0 40 HKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cc(Cl)ccc3OC)sc2c1 20411448 ZIQDCAKSBBWTML-UHFFFAOYSA-N 418.902 5.168 0 40 HKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 20482241 AMYZAUFUPWKIQM-GOSISDBHSA-N 421.924 5.902 0 40 HKAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](c1ccc(CCC)cc1)c1cccs1 21407319 BPDKFBMXQMHOGT-DEOSSOPVSA-N 416.546 5.033 0 40 HKAB CC(C)c1ccc(Nc2ncccc2C(=O)Nc2ccc(Br)cc2)cc1 22072359 VHJZDPRSNUVIQZ-UHFFFAOYSA-N 410.315 5.963 0 40 HKAB Cc1nc(CSc2ccccc2C(=O)OCc2cccc3cccnc23)cs1 22380121 VIHIGZKOYBWBFV-UHFFFAOYSA-N 406.532 5.649 0 40 HKAB O=C(NC[C@@H](c1cccs1)N1CCCCC1)C(c1ccccc1)c1ccccc1 27663927 QXHDVEZYDMUOHQ-QFIPXVFZSA-N 404.579 5.223 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 30867149 NEOHJIZRCWAGNQ-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB Cc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4cccc(Cl)c4)c3)no2)c1 33327264 LZZIIWSYRKJNTN-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB S=C1NC2=C(CCC/C2=C/c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1 34720080 KVSPYRASURNEPV-RYBIEJRYSA-N 401.362 6.034 0 40 HKAB Cc1ccc(-c2nnc(CCC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)o2)cc1 40118516 UYDTUUPZJLQLER-HSZRJFAPSA-N 407.489 5.164 0 40 HKAB C[C@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12)N1CCCCC1 41156085 GTENRUOPDBFEEV-GOSISDBHSA-N 413.525 5.238 0 40 HKAB Cc1ccc(CN(CCc2ccccc2)C(=O)CCc2c(C)noc2Cl)s1 58062809 WIGBGIWUHJKNLY-UHFFFAOYSA-N 402.947 5.210 0 40 HKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3nnc(SCCCC)s3)c2c1 61997190 MXYXPZWNXVJAAN-UHFFFAOYSA-N 419.572 5.916 0 40 HKAB Clc1ccc(-c2cc3c(N4CCN(c5ccccc5Cl)CC4)nccn3n2)cc1 67284803 HFMZJEYXGKFMSV-UHFFFAOYSA-N 424.335 5.030 0 40 HKAB O=C1N=C(Nc2cccc(C(F)(F)F)c2)/C(=C/c2cc3ccccc3[nH]c2=O)S1 72400325 KSBJQSWBCFFOFW-SXGWCWSVSA-N 415.396 5.265 0 40 HKAB Cc1c(-c2nnc3sc(-c4cccc5c(Cl)cccc45)nn23)oc2ccccc12 96194241 UMDZLMQJLKSFJB-UHFFFAOYSA-N 416.893 6.381 0 40 HKAB CCSC1=NC2(CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)N=C1c1ccccc1 96399239 LRWVAFBKXYWZRP-UHFFFAOYSA-N 420.582 5.282 0 40 HKAB CC(C)CCC[C@@H](C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 118914806 LDPPQIQFKNQQLH-BOXJJGIDSA-N 416.646 6.453 0 40 HKAB COc1ccc2cc(C(=O)N3CCS[C@@H](c4ccccc4Cl)CC3)[nH]c2c1 206995410 JCSOFDIESFKSPS-HXUWFJFHSA-N 400.931 5.150 0 40 HKAB CC(=O)c1ccc(-c2ccc(/C=C(\Sc3nc4ccccc4o3)C(=O)O)o2)cc1 211510831 CLGPATAZOKEYQC-NDENLUEZSA-N 405.431 5.508 0 40 HKAB Cc1cc(OCC(=O)NCCCc2ccc(C(C)C)cc2)ccc1Br 218831148 GVUAKYKJVBUANP-UHFFFAOYSA-N 404.348 5.009 0 40 HKAB O=C(CCc1ccccc1Cl)NCCSCc1ccc(Cl)c(Cl)c1 220012186 YELDLZHHIWDLDM-UHFFFAOYSA-N 402.774 5.629 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccc(C)c(C)c1 224288824 UGMBRAZZJYPALI-UHFFFAOYSA-N 403.522 6.267 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 224823502 JZNPVJNSGSKSQT-SFTDATJTSA-N 415.961 6.005 0 40 HKAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225689502 AZYIGLLFSDGIJG-RDPSFJRHSA-N 404.595 5.110 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c2ccccc12 225763415 OGIOWILYQMOPGL-LJQANCHMSA-N 419.540 6.997 0 40 HKAB Cc1ccc(O)c([C@H]2C[C@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(Cl)cc3)O2)c1 257296507 RDDWBNMIQXCWCM-QZNHQXDQSA-N 401.934 5.478 0 40 HKAB O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccc(Cl)cc1 408529537 MDOHJCBYTDUCBV-UHFFFAOYSA-N 402.837 5.809 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1cc(Cl)ccc1OCc1ccccc1 408585638 GTNSMWKQIXGLBX-UHFFFAOYSA-N 416.702 5.934 0 40 HKAB Cc1cc(NC(=O)c2cc3cc(Br)ccc3o2)ccc1Br 408706493 ACMPAAJSUFOCAC-UHFFFAOYSA-N 409.077 5.519 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(C)cc2)cc1 408727869 YGXSNAIRLACPTR-UHFFFAOYSA-N 401.897 6.062 0 40 HKAB CCCc1sc(NC(=O)c2ccc(F)cc2)nc1-c1cc(OC)ccc1OC 408835370 XILLFDWOBXZLLW-UHFFFAOYSA-N 400.475 5.171 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 408992597 APFXCWIGIGBQIV-HSQYWUDLSA-N 410.300 6.163 0 40 HKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc23)cc1C 409114199 DNIXFSZLAIGKSZ-UHFFFAOYSA-N 401.937 7.301 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 409119359 SERLYMVEMGIFDC-QPJJXVBHSA-N 409.744 5.317 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1ccc(COc2ccc(Cl)cc2)o1 409195234 NRDJVWWZNJSAAN-UHFFFAOYSA-N 406.663 5.527 0 40 HKAB CCOc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1ccccc1F 409204603 BAKOZSRVBQAZAY-UHFFFAOYSA-N 421.537 5.537 0 40 HKAB CCCN1C(=O)N/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)C1=O 409238750 LTWJKJYBWCJXQY-KGENOOAVSA-N 420.896 5.375 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1C[C@@H](C(C)C)O[C@H]2C(C)C 524734753 JZLCIEOXJDJGBL-RDJZCZTQSA-N 405.516 5.065 0 40 HKAB CC(C)CCN1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)C1[C@H]3CCCC[C@H]13)C2 643567845 ZNWUKDDKALVNHQ-SBFWRKJZSA-N 423.645 5.146 0 40 HKAB CCN(CC)c1ccc2cc(-c3nnc(-c4cc5sccc5s4)o3)c(=O)oc2c1 1889263483 TWGYKZCROIHSHI-UHFFFAOYSA-N 423.519 5.632 0 40 HKAB CCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccccc2F)C[C@H]1C 898893 IUOFMGKXWZXZMF-HOYKHHGWSA-N 416.496 5.749 0 40 HKAB CN(C1c2ccccc2Oc2ccccc21)S(=O)(=O)c1cc(Cl)ccc1Cl 1865470 ZXDIFDGGRJZBBV-UHFFFAOYSA-N 420.317 5.509 0 40 HKAB CCOc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccccc1Cl 2052487 IPTAVRNPZDIQLC-QHCPKHFHSA-N 424.953 6.015 0 40 HKAB CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(=O)OC)C1 2093084 WNZVQIZAAVSFPE-MRXNPFEDSA-N 419.546 5.969 0 40 HKAB Nc1c(-c2ccc(F)cc2)cnn1-c1nc(-c2ccc(Cl)cc2Cl)cs1 2505785 QWQVMXPPADCNEM-UHFFFAOYSA-N 405.285 5.691 0 40 HKAB Cc1cc2oc(=O)c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)c2cc1Cl 2576852 OLRHSSLUAOGBML-UHFFFAOYSA-N 415.703 7.396 0 40 HKAB biogenic Cc1ccc(-c2csc3ncnc(Oc4ccc(-c5ccccc5)cc4)c23)cc1C 2679660 YVHNNBSBNRWZAJ-UHFFFAOYSA-N 408.526 7.434 0 40 HKAB O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc(Br)cc1 2961484 WDIQEHPLUPXHJH-UHFFFAOYSA-N 410.296 5.373 0 40 HKAB CCCOc1ccc(NP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1 3170599 GQWSKWLZUFFWRD-UHFFFAOYSA-N 411.438 6.770 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Br)c1cccc(Br)c1 3208238 HYSFNVQTENRMSE-UHFFFAOYSA-N 423.026 5.483 0 40 HKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3cccc(Cl)c3C)s2)c1 3346998 NTFBJMFOUDLJMP-UHFFFAOYSA-N 404.948 5.283 0 40 HKAB Cc1cccc(OCC(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1C 3655531 WOWVFQKANMSHCA-UHFFFAOYSA-N 417.436 5.437 0 40 HKAB CC(C)(C)c1ccc(-c2nn(CNc3cccc(Br)c3)c(=S)o2)cc1 4117307 NCLYHFOPSKAESP-UHFFFAOYSA-N 418.360 6.002 0 40 HKAB CCc1ccccc1NC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCCC2 4211528 MOZRXYLNBMNGRI-UHFFFAOYSA-N 418.562 5.623 0 40 HKAB Cc1nc(NC(=O)CSc2nc(-c3ccccc3)c[nH]2)sc1-c1ccccc1 4600594 VYGXMSYKDNPFJZ-UHFFFAOYSA-N 406.536 5.239 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)cc1 4704040 UNCMKIMSSMFWTL-UHFFFAOYSA-N 414.332 7.336 0 40 HKAB COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 4816713 YATZGNAQYOJECJ-RTWAWAEBSA-N 424.932 5.054 0 40 HKAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(C)c(Cl)c2)cc1 5065682 MHANRKLUQYEJIX-UHFFFAOYSA-N 400.869 5.606 0 40 HKAB CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc2ccccc12 5477626 CDRQSRLLNCSBDK-UHFFFAOYSA-N 409.942 5.976 0 40 HKAB Clc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCCO4)=NN12 5603180 QPYBCKWPRLKFDV-YKSBVNFPSA-N 418.880 5.354 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3cccnc3SC(F)F)sc2C)cc1 6580794 UBXCSEKEKHAPJE-UHFFFAOYSA-N 407.467 5.089 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CN1c1ccccc1Cl 6752612 XEMRFGVVRMCXRZ-LJQANCHMSA-N 421.972 6.181 0 40 HKAB Cc1cc(OCC(=O)N(Cc2ccco2)Cc2ccccc2Cl)ccc1Cl 6810628 MTRVEERLWCFKDN-UHFFFAOYSA-N 404.293 5.503 0 40 HKAB CCc1cccc2c(C(=O)[C@@H](Sc3nnc(C4CC4)n3C)c3ccccc3)c[nH]c12 7235470 GONBQINKVHJFLY-QFIPXVFZSA-N 416.550 5.453 0 40 HKAB COc1ccc2nc(N(Cc3ccccc3)C(=O)CCc3cccs3)sc2c1 7735810 QCEMOQFXDQGJOP-UHFFFAOYSA-N 408.548 5.532 0 40 HKAB COC(=O)c1ccc(CSCC(=O)Nc2ccccc2Oc2ccccc2)cc1 9882804 FTZGHXSAOHESPA-UHFFFAOYSA-N 407.491 5.137 0 40 HKAB CSc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c1 10060244 MVBLTCAMQCIRQC-QFIPXVFZSA-N 424.547 5.028 0 40 HKAB C[C@H](Sc1nnc(COc2ccccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1 12676294 QNRKECFOLQNPCL-NSHDSACASA-N 424.309 5.075 0 40 HKAB Cc1nc(-c2ccco2)nc2sc(C(=O)N3CCC[C@@H]3c3ccccc3)c(C)c12 12764755 PWOLLEVZWVNVSC-QGZVFWFLSA-N 403.507 5.545 0 40 HKAB COc1ccc(-c2nc(CSCCOc3ccccc3F)cs2)cc1OC 12900448 TUHLVWCKKAVNED-UHFFFAOYSA-N 405.516 5.279 0 40 HKAB O=C(OCc1nc2ccccc2s1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 12920555 HUYCFXBQTGYALQ-UHFFFAOYSA-N 413.458 5.370 0 40 HKAB C[C@H]1CN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)C[C@@H](C)O1 13117266 IFTGVDPPTGAHSA-IYBDPMFKSA-N 402.523 5.034 0 40 HKAB Cc1sc2ncnc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)c2c1C 13399863 CJIUTXGWNOZLIE-UHFFFAOYSA-N 421.547 5.831 0 40 HKAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(Br)c(Cl)c1 14399570 YNKFODIQBIYKCK-UHFFFAOYSA-N 403.103 5.554 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc3c4c(cccc24)CC3)cc1Cl 15304033 LJXJADZGEOBLLX-SANMLTNESA-N 424.931 6.671 0 40 HKAB CCn1c(S)nnc1-c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 17082144 ONTACRZJCCFLDS-UHFFFAOYSA-N 401.322 5.776 0 40 HKAB Cc1cccc(-c2nn(-c3nc(-c4ccccc4)cs3)c(-c3cccc(C)c3)c2C)c1 17092786 KDWPGMVKGODXPC-UHFFFAOYSA-N 421.569 7.255 0 40 HKAB CC(C)C(=O)N1CCCC[C@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 19085614 CQXROHRJBNPPMG-HNNXBMFYSA-N 422.476 5.186 0 40 HKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nc2c(Cl)cccc2s1 21595241 ZWQVVYZZPRWRIV-UHFFFAOYSA-N 402.947 6.043 0 40 HKAB CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)s3)c(C)c2)CC1 22067985 MHRYCDXWUPSZGT-UHFFFAOYSA-N 423.557 5.257 0 40 HKAB O=C(CCc1nc2ccccc2s1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 24968591 COYDARKFLJJCIS-XMMPIXPASA-N 412.518 5.011 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NCC(C)C 30856212 VDYXEPJVZHOSCN-JOCHJYFZSA-N 404.510 5.022 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 30941351 KGFHIZFJQKIYCG-FQEVSTJZSA-N 420.940 5.983 0 40 HKAB Cc1ccc(COc2ccc(C(=S)N3CCCCC3)cc2Br)cc1 33586259 JLQHYXKQGJECTR-UHFFFAOYSA-N 404.373 5.498 0 40 HKAB Cc1cccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)no2)c1 40488357 HOZLPXVEIKGXLX-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(OC(C)C)c(OC)c1 44903576 CFHPEAOGVDBBGK-OAQYLSRUSA-N 407.510 5.109 0 40 HKAB CCCCc1ccc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(CC)cc2=O)cc1 57527803 CDQJMWFQBBURMZ-UHFFFAOYSA-N 423.944 5.107 0 40 HKAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)sc2c1CCCC2 59477629 YSNOWZABQNDVQW-FYWRMAATSA-N 421.518 5.716 0 40 HKAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(Cl)c(Cl)c1 72229874 BBHQVHGWFOVEEV-LJQANCHMSA-N 406.696 5.981 0 40 HKAB CC(C)c1noc(-c2ccccc2NC(=O)c2cc(-c3ccc(F)c(F)c3)on2)n1 96346768 NZGXEWKHLMQBOL-UHFFFAOYSA-N 410.380 5.046 0 40 HKAB COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn(CC(C)C)c(=N)c32)cc1 101109061 FSWOIRXYLOOYNF-JOCHJYFZSA-N 411.505 5.466 0 40 HKAB CN(C)c1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccccc4)C3=C(O)C2)cc1 102928391 PTPIXMVCVKJRSH-DCFHFQCYSA-N 409.533 6.382 0 40 HKAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)C1C[C@@H]2CCC[C@@H](C1)C2=O 103138035 JCALPWBXVZRLRY-RPPIVITFSA-N 415.489 5.031 0 40 HKAB CCOC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118927578 VIBBLWWRIXYIGT-OPFPPWKBSA-N 402.619 6.194 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1cccc2ccccc12 139030715 QODLTOMSIXBRFE-ZDUSSCGKSA-N 418.276 5.096 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1C 223550679 WOQCSUCIHLITQY-GOSISDBHSA-N 402.494 5.137 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1cccc(Cl)c1 224145264 ZTDSOVCOUNTXHZ-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3cccc(C)c3)c2)cc1 224385591 XVPSPOPQVMNYBE-UHFFFAOYSA-N 405.494 5.624 0 40 HKAB C[C@H]1CCCN(CCCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)C1 225504268 WAVJOENNRNRVGC-QFIPXVFZSA-N 420.597 5.638 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225831657 LJHKEKYRLLUYHN-UHFFFAOYSA-N 417.896 5.937 0 40 HKAB Fc1ccc(COc2ccc(C(=S)N3CCN(c4ccccc4F)CC3)cc2)cc1 408575448 OIQIYNFFJNXYCQ-UHFFFAOYSA-N 424.516 5.042 0 40 HKAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C)ccc1NC(=O)c1ccccc1 408603955 HPPMTPPGDASNGX-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(Cl)cc2)cc1 408698216 MHAZSDQCIQFUIE-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(Cl)cc2)c1 408699953 XRKGOXQQBNLPBZ-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB CC(C)c1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)sc2CC(=O)O)cc1 408897648 ZGNYIYBYUWIYOD-UHFFFAOYSA-N 421.349 6.611 0 40 HKAB Cc1cccc(COc2ccc(-c3nc(O)c4c5c(sc4n3)CCCCC5)cc2)c1 408990931 PBYAWCQQLRZUPW-UHFFFAOYSA-N 416.546 6.220 0 40 HKAB CCCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1 409105927 PJUCESDBHFVFSV-UHFFFAOYSA-N 421.353 5.393 0 40 HKAB Cc1cccc(COc2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)cc2)c1 409127345 JDUDYCNENROWNB-HZHRSRAPSA-N 421.562 6.191 0 40 HKAB COc1ccc(OC(=O)C(C)C)c([C@H](CCN(C(C)C)C(C)C)c2ccccc2)c1 575319539 DKGYOYYHZZCBNC-HSZRJFAPSA-N 411.586 5.897 0 40 HKAB O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)Nc1ccccc1 783361 GZKSWDLMUHOGKQ-UHFFFAOYSA-N 411.939 5.743 0 40 HKAB Cc1cc(C)c(NC(=O)c2sc3nc4c(cc3c2N)C(=O)CC(C)(C)C4)c(C)c1 1261329 RWGFSSRKYQGHOS-UHFFFAOYSA-N 407.539 5.211 0 40 HKAB Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2ccccn2)c2cccc(F)c2)c1C 1298133 UZLPXRITVAFZNS-OAQYLSRUSA-N 421.497 5.946 0 40 HKAB O=C(c1ccccc1)N(Cc1cc2cc3c(cc2nc1Cl)OCO3)C1CCCC1 1367907 BYSFVTCVFZMXCF-UHFFFAOYSA-N 408.885 5.202 0 40 HKAB CC(C)(C)c1ccc(Oc2coc3cc(OC(=O)c4ccccc4)ccc3c2=O)cc1 1772189 MATVUZAXRLMNKN-UHFFFAOYSA-N 414.457 6.102 0 40 HKAB O=C(NC1CCCCC1)c1ccc(-c2ccc(C(=O)NC3CCCCC3)cc2)cc1 2069598 PMUITBLFPQBZCQ-UHFFFAOYSA-N 404.554 5.479 0 40 HKAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(C(=O)OCCC)cc1)C3 2118637 BHILXUIWTXFCPV-UHFFFAOYSA-N 421.493 5.059 0 40 HKAB biogenic CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC)cc1 2447305 MNXIFKLJWFETNN-MRXNPFEDSA-N 424.570 5.218 0 40 HKAB CC[C@H](C(=O)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)c1ccccc1 2450494 RVBXQVFQJUYVPF-HNNXBMFYSA-N 406.338 5.568 0 40 HKAB Cc1ccc(-c2nnc(Oc3ccc(Cc4ccccc4)cc3)c3ccccc23)cc1 2680121 BOEPXTRAJAFYTI-UHFFFAOYSA-N 402.497 6.988 0 40 HKAB COC(=O)c1ccc(Cn2nc(-c3cccc(C)c3)c(C)c2-c2cccc(C)c2)cc1 2733334 UXBRVTYSKLREEU-UHFFFAOYSA-N 410.517 5.977 0 40 HKAB O=C(Oc1ccc(C(=O)c2ccc(OC(=O)c3ccccc3)cc2)cc1)c1ccccc1 2775539 TZXMPPFHQMXJSX-UHFFFAOYSA-N 422.436 5.356 0 40 HKAB COc1cc(Cl)c(S(=O)(=O)Oc2cc(Cl)ccc2Cl)cc1Cl 2835717 AOWOPKGNVZAORE-UHFFFAOYSA-N 402.082 5.077 0 40 HKAB CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 3286087 RIVWSWDVBVXCMQ-UHFFFAOYSA-N 420.456 5.112 0 40 HKAB Clc1cc(Cl)c2ncnc(OCCOc3ccc(Br)cc3)c2c1 3306233 JUTHTCTXYRWGPV-UHFFFAOYSA-N 414.086 5.157 0 40 HKAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)C1(c2cccc(F)c2)CCCC1 3308800 QJVFFLAQILGDCW-UHFFFAOYSA-N 400.837 5.084 0 40 HKAB O=C(Nc1nnc(SCc2cccc(F)c2)s1)C12CC3CC(CC(C3)C1)C2 4078287 ULQKLRLRQRKNSK-UHFFFAOYSA-N 403.548 5.124 0 40 HKAB O=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)c1cc(Cl)sc1Cl 4279316 XLJWFIOSMPUWLV-UHFFFAOYSA-N 403.315 6.564 0 40 HKAB CCC(=O)n1nc(NCc2ccc(C(C)C)cc2)nc1NCc1ccc(C(C)C)cc1 4703247 HWQZHNMDUDDAJL-UHFFFAOYSA-N 419.573 5.799 0 40 HKAB CCCCOc1ccc([C@H](O)CCCC[C@@H](O)c2ccc(OCCCC)cc2)cc1 5003914 OLBQEBCWCIGCCI-CLJLJLNGSA-N 414.586 6.372 0 40 HKAB CCCCSc1nnc2c3c(nc(SCC)n12)-c1ccccc1CC31CCCC1 5072385 HYAOKBQKGNZOGZ-UHFFFAOYSA-N 424.639 6.163 0 40 HKAB CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C/c1cccc(OCc2ccccc2)c1 5249878 JCVREKYZODOFJR-RRMBJHDJSA-N 424.544 5.293 0 40 HKAB O=C(NCCc1ccc(F)cc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 6112278 CIHLTCHIRVVMNH-UHFFFAOYSA-N 409.464 5.495 0 40 HKAB biogenic CCCCN(CC)c1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CCC3 6310356 XXCMIBVOURLJGX-UHFFFAOYSA-N 414.644 6.200 0 40 HKAB CCCNC(=O)c1ccccc1NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 6324113 WSDXZAFAVBXPRF-PTGBLXJZSA-N 414.505 5.014 0 40 HKAB CCCCC(=O)Nc1ccc(NC(=O)COc2ccc([C@@H](C)CC)cc2)cc1OC 6594818 ZOXMETOVHBTIGZ-KRWDZBQOSA-N 412.530 5.355 0 40 HKAB CCN1CCN(c2ccc(NC(=O)CSc3ccc4ccccc4c3)cc2C)CC1 8025797 KWUTVZXCIPSPOZ-UHFFFAOYSA-N 419.594 5.021 0 40 HKAB COC(=O)c1cc(CSc2cc(-c3ccccc3)c3ccc(OC)cc3n2)oc1C 8132041 IPSBEBAIYXEMTE-UHFFFAOYSA-N 419.502 5.891 0 40 HKAB FC(F)(F)c1cnc(Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(Cl)c1 8781570 UAWBQEVWTGBHBL-UHFFFAOYSA-N 415.124 5.060 0 40 HKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(C)c(Cl)c3)sc2c1 8903122 RYWHCBSDRRULLF-UHFFFAOYSA-N 402.903 5.467 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)cc1 8959285 ZZEFAGJQMAQFDA-UHFFFAOYSA-N 424.541 5.135 0 40 HKAB CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccco1 9056529 FSWXGEPHSWKQCR-UHFFFAOYSA-N 420.494 5.081 0 40 HKAB Cc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCOC(C)C)cc1 9200090 WGDUWASFWIRMDO-HSZRJFAPSA-N 419.521 5.079 0 40 HKAB Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccc(Cl)s1 9278560 ANXUSHQSPBKBBS-UHFFFAOYSA-N 421.956 5.182 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CCCCC2 9404763 QLOJIPXNYZZFPP-UHFFFAOYSA-N 422.344 5.209 0 40 HKAB Cc1ccc(-c2cc(OC(=O)[C@@H](C)Oc3ccc(F)cc3)cc3sc(=O)oc23)cc1 9408853 UGJPVLKITKGAGR-CQSZACIVSA-N 424.449 5.342 0 40 HKAB Cc1cccc(C)c1N1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CC1=O 11692467 CXVBUMOZTXBQLD-QFIPXVFZSA-N 409.533 5.416 0 40 HKAB COc1ccc(-c2cc3ccc(Nc4cc(C)cc(C)c4)cc3oc2=O)cc1OC 11865082 QZVITGQQOQTYOR-UHFFFAOYSA-N 401.462 5.838 0 40 HKAB biogenic CCn1c([C@H](CCSC)NC(=O)c2ccc(C(C)(C)C)cc2)nc2ccccc21 12311348 JEGSQGJFUXOPOS-FQEVSTJZSA-N 409.599 5.578 0 40 HKAB Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2cccs2)N3)cc1C 12849059 QWGTYRCWKMQMIW-RHSMWYFYSA-N 420.460 5.474 0 40 HKAB C[C@H](NC(=O)CSc1ccc2ccccc2c1)c1ccc(Br)cc1 14183387 ZJAFJXJAOZGJGJ-AWEZNQCLSA-N 400.341 5.572 0 40 HKAB C[C@H](c1ccccc1)N(C)C(=O)c1cc(Br)c(Br)s1 15578332 JUTJDONTXMQETP-SECBINFHSA-N 403.139 5.106 0 40 HKAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccc(Cl)cc4)cc3c2C)cc1 15729495 LZQXYHGOQXSDTG-UHFFFAOYSA-N 419.864 5.887 0 40 HKAB biogenic O=C(Nc1cccnc1)N(Cc1ccc(C(F)(F)F)cc1)Cc1cccc(Cl)c1 15931804 QXXDGBUKHKBYEB-UHFFFAOYSA-N 419.834 5.988 0 40 HKAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc(-c2ccccc2)cc1 15973742 BGAKQXMOCSGVOW-UHFFFAOYSA-N 411.486 5.860 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4F)ccc3o2)cc1C 16136404 MAYYWRFQDJRWBE-UHFFFAOYSA-N 419.481 5.378 0 40 HKAB Fc1ccc(-c2nn(Cn3cc(Cl)cn3)c(-c3ccc(F)cc3)c2Cl)cc1 17083113 ZFFHQYUTLZUJNI-UHFFFAOYSA-N 405.235 5.504 0 40 HKAB Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1Cl 17087497 VWFXIAIZZBAVGL-RMKNXTFCSA-N 406.696 6.867 0 40 HKAB Cc1ccc(-n2cnnc2S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)c(C)c1 17105982 XKAJRODAYHSQBC-CQSZACIVSA-N 420.460 5.022 0 40 HKAB C[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 20388432 AWHYQLPXMIHKLX-QVXRUGPVSA-N 420.336 5.695 0 40 HKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 20610918 IVNSTICQXRJYGC-OAHLLOKOSA-N 420.900 5.504 0 40 HKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccc(Cl)c1Cl 20611104 HWRZBIJXCOBMKX-UHFFFAOYSA-N 415.255 5.427 0 40 HKAB Oc1cc(OCc2ccc(Cl)cc2)ccc1-c1ncncc1Oc1ccccc1F 26571813 MUCZTRUPUKTJLM-UHFFFAOYSA-N 422.843 6.013 0 40 HKAB O=C(CSc1nnc(COc2ccccc2)o1)N(c1ccccc1)c1ccccc1 27525728 LRNLPHJQRFJCPW-UHFFFAOYSA-N 417.490 5.106 0 40 HKAB Cc1[nH]c2ccc(C(=O)Nc3ccc(Br)cc3C(F)(F)F)cc2c1C 27984804 ARMWXZQXPSOCLI-UHFFFAOYSA-N 411.221 5.818 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1C 28291094 VLGUVPOTNLJEPY-QGZVFWFLSA-N 412.892 5.492 0 40 HKAB Cc1ccc(NC(=O)Cn2c3c(sc2=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)(C)S3)cc1 28295003 JFSJRKGBQLYKOI-DJIMGWMZSA-N 416.612 5.261 0 40 HKAB C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 38139812 WQLVFSAGQJTQCK-RFKRAQKKSA-N 414.630 5.714 0 40 HKAB biogenic,in-vitro Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 40073432 CEASJNOINBXZLN-UHFFFAOYSA-N 412.424 5.585 0 40 HKAB C=Cc1ccc(Cn2c3ccccc3n3c(=O)cc(-c4cccc(OC)c4)nc23)cc1 40484382 QHUKBJCUUVXHLP-UHFFFAOYSA-N 407.473 5.016 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CN3CCCCCC3)cc1)CC(C)(C)O2 44855565 WATYWFKUCCLRLX-QHCPKHFHSA-N 422.569 5.103 0 40 HKAB C[C@H](NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1 44934053 HKPLWVPMWGAJEO-HOCLYGCPSA-N 409.332 5.222 0 40 HKAB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@@]12C 70454283 ARYTXMNEANMLMU-FPCVOIBVSA-N 402.707 7.715 0 40 HKAB CCOc1ccccc1OC1CCN([C@H](C)c2nnc(-c3ccc(C)c(C)c3)o2)CC1 79102172 NTSJFNCWRACLEY-LJQANCHMSA-N 421.541 5.357 0 40 HKAB COc1ccc([C@H]2C3=C(O)C[C@@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc1 102728086 JNYPVTWPHZPOGB-KSFYIVLOSA-N 402.450 5.305 0 40 HKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 222935448 TUKOTUOFWGFGHH-RTWAWAEBSA-N 409.580 5.454 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1C1CCCCC1 223119918 LHIQZKVYHUVGAX-XZOQPEGZSA-N 408.615 5.694 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(CSc2ccccc2)cc1 223393419 BHOFPVODOYYTDA-UHFFFAOYSA-N 409.510 7.131 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccccc1C(C)(C)C 223714445 UOTRSXGCAOGHCP-QHCPKHFHSA-N 405.538 5.490 0 40 HKAB CCCCCNC(=O)c1ccc(OCC)c(COc2ccc(-c3ccccc3)cc2)c1 224559189 VOEGBMZMNCGBHL-UHFFFAOYSA-N 417.549 6.251 0 40 HKAB O=C(CCSc1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 224807041 NQBHQCBPWMCCHI-UHFFFAOYSA-N 402.991 5.125 0 40 HKAB Cc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1 224958417 ATYOQBYCRUERPO-UHFFFAOYSA-N 402.881 5.900 0 40 HKAB CC(C)Sc1nnc(NC(=O)CSCc2ccc(Cl)cc2Cl)s1 225217454 VQFMXNPBCLXXDB-UHFFFAOYSA-N 408.401 5.217 0 40 HKAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225699925 BKFREOASLTYGHN-RDPSFJRHSA-N 404.595 5.254 0 40 HKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225745349 HEANBACKXWOYCM-DEOSSOPVSA-N 404.595 5.255 0 40 HKAB Cc1ccc(CN(C(=O)COc2c(F)cccc2C(=O)O)[C@@H](C)c2ccccc2)cc1 257263597 LQRWEAWVKOQEFB-SFHVURJKSA-N 421.468 5.001 0 40 HKAB CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)o2)cc1 260759278 FJZZEVPHVHNTLL-UJUVCNOISA-N 405.523 5.330 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1 408542916 BEWRBTKARYGENN-UHFFFAOYSA-N 422.550 5.391 0 40 HKAB CCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Br)c(Cl)c1 408586288 MPVBOEKUDGILJP-UHFFFAOYSA-N 403.103 5.797 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(Cl)cc2)c1 408700005 YGTQFAKRKYFIOU-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c(C)c1 408737031 LAQPSZVPGSISSV-VWLOTQADSA-N 414.549 5.215 0 40 HKAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1cccc(F)c1 408811591 LQZAVZNEPMGSFC-YVLHZVERSA-N 421.877 5.123 0 40 HKAB O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409144373 OPPVOIOXBNIHGH-NRNZPPILSA-N 400.566 6.046 0 40 HKAB O=C(c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2)N1CCCCCC1 409169732 YXZSLCXYFHAABE-LPRBYJFTSA-N 400.566 5.999 0 40 HKAB CC(=O)Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c1 409173433 NBLOQHNJXPYMPQ-QFIPXVFZSA-N 407.853 5.079 0 40 HKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 409377009 DYTZUFQCNBPOIR-UHFFFAOYSA-N 408.929 5.895 0 40 HKAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2C3c4ccccc4C(C)(c4ccccc43)[C@@H]2C1=O 707297 SHTXIQKEXQRWRO-VUUXHMSQSA-N 413.904 5.219 0 40 HKAB Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccco1 803513 IEHFOKHJLJFXDK-UHFFFAOYSA-N 419.264 5.165 0 40 HKAB Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1C 919564 WSDYZVPIEUZRLV-PBHICJAKSA-N 404.392 5.006 0 40 HKAB O=C(COC(=O)c1cc2ccccc2cc1O)c1ccc(OCc2ccccc2)cc1 991226 NONBETJSBRSHKV-UHFFFAOYSA-N 412.441 5.164 0 40 HKAB Cc1nc(NC(=O)c2cccc(Cl)c2)sc1C(=O)Nc1ccc(Cl)cc1 1378974 UHWSRKHZDFACLS-UHFFFAOYSA-N 406.294 5.263 0 40 HKAB CC(C)Oc1ccc(-c2nc3sc(-c4ccc(OC(C)C)cc4)nc3s2)cc1 1796567 GDTUBEMUAQCIBW-UHFFFAOYSA-N 410.564 6.661 0 40 HKAB CC[C@@H](C)OC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 1915069 YWZCCWZVIIJDLL-KGLIPLIRSA-N 400.858 5.222 0 40 HKAB CCCCc1ccc(-n2nc3ccc(NC(=O)c4ccc(OCC)cc4)cc3n2)cc1 2050956 SWDJWALSECJCSR-UHFFFAOYSA-N 414.509 5.414 0 40 HKAB Cc1ccc2c(c1)N(C(=O)/C=C/c1ccccc1)C(C)(C)c1ssc(=S)c1-2 2065962 WGLIWBHKLXFQFU-ZRDIBKRKSA-N 409.601 6.810 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)c3cc(C)cc(C)c3n2)cc1 2079771 LQPLAXGWYOXXEB-UHFFFAOYSA-N 410.517 6.396 0 40 HKAB Cc1c(OCc2ccccc2)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 2117725 LXXSTFSQOZCTRI-UHFFFAOYSA-N 410.425 5.454 0 40 HKAB biogenic Clc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1 2268171 MRCVYVATFQWNSW-UHFFFAOYSA-N 400.696 7.001 0 40 HKAB CCc1cccc(-n2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)c1 2388178 ZONGNJXGQGDZGK-UHFFFAOYSA-N 422.488 5.075 0 40 HKAB Cc1ccc([C@H](C)NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc23)cc1 2766877 MFMKHJPUJWURAK-SFHVURJKSA-N 414.936 6.663 0 40 HKAB C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@@H](c1cccs1)N1CCCC1 3265081 SNXQPXANNGJLPP-XIKOKIGWSA-N 422.978 5.711 0 40 HKAB CC(C)(C)c1ccc(NC(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1 3389461 JDVJECXPDNDUKG-UHFFFAOYSA-N 402.869 5.782 0 40 HKAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(Oc3ccccc3)c2)cc1 3487037 FGUDOTMECHENNT-AREMUKBSSA-N 422.484 6.259 0 40 HKAB CC(C)[C@H](CC(=O)NCC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccco1 4046594 ABWOYWSDRKZXNC-ZLNRFVROSA-N 411.586 5.905 0 40 HKAB biogenic Cc1cc2nc(/C=C/c3ccccc3)n(Cc3ccc(Cl)c(Cl)c3)c2cc1C 4050619 VXDAOAYOQYEIAL-PKNBQFBNSA-N 407.344 7.179 0 40 HKAB Cc1ccc(C(=O)c2ccccc2)c(NC(=O)c2ccc(Oc3ccccc3)cc2)c1 4070010 YNLGLCHSASHBKO-UHFFFAOYSA-N 407.469 6.271 0 40 HKAB COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(C)c(C)c1 4267281 GXMKWASYUFENDK-UHFFFAOYSA-N 414.461 5.563 0 40 HKAB CN(C)CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc2c(F)cc(F)cc2s1 4359425 USMGWPGYDFNFCJ-UHFFFAOYSA-N 417.525 5.080 0 40 HKAB COc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3ccc(F)cc3)C[C@H]21 4715842 ANUNKTQPZZSPEX-NFBKMPQASA-N 408.860 5.730 0 40 HKAB CC[C@@H](C)Sc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 4875257 DQPFPZVWKLSKHR-GFCCVEGCSA-N 409.479 5.343 0 40 HKAB CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CNCc3ccc(C(=O)O)cc3)CCC[C@@]21C 4942610 CQAXFWGFFLQWMP-PKXQUSJVSA-N 419.609 6.308 0 40 HKAB CCC1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 5016880 UXJOQBCDHQGGNY-DLQTWLKSSA-N 410.945 6.189 0 40 HKAB O=C(OC1CCCCC1)c1ccc(NC(=O)c2ccccc2Br)cc1 5583777 FKLZIJXNNIEQRU-UHFFFAOYSA-N 402.288 5.191 0 40 HKAB CCCCCCOc1ccc(Nc2cc(C)nc3ccc(C(=O)OCC)cc23)cc1 5808027 KDACOUVEWTZNNO-UHFFFAOYSA-N 406.526 6.423 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2ccc(OCC)cc2)cc1OCC 6138755 CXSOVWOIPOLNRF-UHFFFAOYSA-N 422.319 5.288 0 40 HKAB COc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 6204507 HDMBEQFUJPDWLE-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc2c(Cl)cccc12 6345372 XRUHILUGINARFL-UHFFFAOYSA-N 414.917 7.022 0 40 HKAB CC(C)COc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 6563781 AEJYSTGRSFGOAG-UHFFFAOYSA-N 402.519 6.250 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2c(C)n(C)c4ccccc24)N3)C1 6709537 ZLRQUDPTRBTIHB-OYHNWAKOSA-N 421.610 6.518 0 40 HKAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N[C@H]2CCCc3ccccc32)cs1 7264028 GXFZFHGVXUDGAM-FRFYRWIFSA-N 417.534 5.035 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccnc4Cl)cc3)nc2c1 8198285 WYNANGROCCCBDS-AWEZNQCLSA-N 405.885 6.309 0 40 HKAB Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)cc1NC(=O)c1ccco1 8341417 RTVHMJFEQQJUGW-UHFFFAOYSA-N 414.461 5.276 0 40 HKAB COc1cc(/C=C/C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc(Cl)c1OC 8347252 TWUQEKUYMRMJDU-WTNCMQEWSA-N 416.930 5.200 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Sc1ccccn1)c1ccccc1 8648808 CLQIMBYFGRAYBR-SFHVURJKSA-N 422.859 6.226 0 40 HKAB CCOc1ccccc1NC(=O)c1nc(SCc2ccccc2F)ncc1Cl 8916252 LYHZUSVWMBERLX-UHFFFAOYSA-N 417.893 5.212 0 40 HKAB O=C(CSc1nc2ncc(Br)cc2[nH]1)c1ccc(Cl)c(Cl)c1 9308471 BDZQJDRLDJCFDE-UHFFFAOYSA-N 417.115 5.002 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)N1CC[C@H]2CCCC[C@@H]2C1 9365888 ZLCYZFXYVQRIGQ-UYAOXDASSA-N 417.578 5.428 0 40 HKAB Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(Cl)c3Cl)n2C)c1 9544931 GKQCLGWOYNBUDY-GFCCVEGCSA-N 421.353 5.217 0 40 HKAB O=C(CCCC(=O)OCc1ccccc1Cl)Nc1ccc2c(c1)oc1ccccc12 9581462 KRYWOKAKJZDYKR-UHFFFAOYSA-N 421.880 6.092 0 40 HKAB CCC1=Nc2ccccc2N=C(NC(=O)c2ccco2)[C@H]1c1ccc(OC)c(OC)c1 9614637 BPIKCMLVTPYMAY-QFIPXVFZSA-N 417.465 5.037 0 40 HKAB Cc1cccc(Nc2nnc(SCC(=O)N(C)[C@@H](C)c3ccc(F)cc3)s2)c1 9804334 XSAXAMXFQRCRRL-AWEZNQCLSA-N 416.547 5.041 0 40 HKAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccc(NC(C)=O)cc3)no2)cc1 12185623 UHWMTMQQTHFRTN-XMMPIXPASA-N 419.525 5.426 0 40 HKAB CC(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 12195430 HCDSGQYVRHRGLU-ILBGXUMGSA-N 402.925 6.706 0 40 HKAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(Cl)cc3)c3ccccn23)cc1C 12342090 WNUAMEBUFAEWGZ-UHFFFAOYSA-N 417.896 5.275 0 40 HKAB COc1ccccc1C(=O)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C 12855610 XVTBKLNGXNJREK-UHFFFAOYSA-N 400.482 5.113 0 40 HKAB Cc1cc(CNC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)ccc1F 15583358 IVZMMQGXOXFGDR-FYWRMAATSA-N 411.480 5.316 0 40 HKAB C[C@H](Oc1ccccc1)C(=O)Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1 15821242 JRZRMMYLAGZTHZ-KRWDZBQOSA-N 417.896 5.599 0 40 HKAB Cc1cc(C)c(NC(=O)COC(=O)CCc2ccc(-c3ccccc3F)o2)c(C)c1 16320285 KSBINIXELNOOSN-UHFFFAOYSA-N 409.457 5.125 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(F)cc4)ccc3o2)c1 17091826 IYWOSGMYMBKQPY-UHFFFAOYSA-N 419.481 5.378 0 40 HKAB O=c1c2[nH]c3ccccc3c2nc(SCc2ccc(F)cc2)n1-c1ccc(F)cc1 17201067 OSARGKIKWBXUEU-UHFFFAOYSA-N 419.456 5.438 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)c1C 18961266 NVMOTMNJGANIOK-LBPRGKRZSA-N 421.444 5.160 0 40 HKAB Cc1ccc([C@H](C)C(=O)N[C@@H]2CCCc3c2cnn3Cc2cccc(Cl)c2)cc1 19136307 LCZFBOMDLMLFDZ-HTAPYJJXSA-N 407.945 5.191 0 40 HKAB Cc1ccc([C@H](Cc2ccsc2)NCc2cccc(-n3nc(C)cc3C)c2)nc1 19215552 WIJIPRXYWORQKP-DEOSSOPVSA-N 402.567 5.328 0 40 HKAB CCCCN(CCCC)CCN[C@@H](c1ccc(Cl)cc1)c1ccc(OC)cc1 19363663 PDWJGSPICZTZEA-DEOSSOPVSA-N 403.010 5.930 0 40 HKAB Cc1cc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc(C)c1O 19569971 CZCGELWDWVTWIH-UHFFFAOYSA-N 401.457 5.171 0 40 HKAB Cc1ccc(S(=O)(=O)c2cnc3ccccc3c2NCc2ccc(F)cc2)cc1 20382474 YFCJJUJJAQGJOM-UHFFFAOYSA-N 406.482 5.127 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 20454562 WMAWOKGZPWQGBT-VGSWGCGISA-N 404.510 5.164 0 40 HKAB Cc1ccccc1[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccccc1 20487279 MITWHZVPIJQAIS-HHHXNRCGSA-N 412.577 5.746 0 40 HKAB CCc1ccc(Cn2nccc2NC(=O)c2ccc(C3SCCCS3)cc2)cc1 21599819 HCFLJHBFEUTFIG-UHFFFAOYSA-N 423.607 5.615 0 40 HKAB c1ccc(C[C@H](NCCN[C@H](Cc2ccccc2)c2ccccc2)c2ccccc2)cc1 23478473 MLOAIMHDNLNGIR-RNPORBBMSA-N 420.600 6.134 0 40 HKAB Cc1cc(-c2cc(C(=O)N3CCC[C@@H]3c3ccccc3)c3c(C)noc3n2)c(C)o1 25512149 PUYILJCHZMUSGL-OAQYLSRUSA-N 401.466 5.385 0 40 HKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)C1 30758304 PSINYQCYYUMRMO-HXUWFJFHSA-N 400.522 5.963 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@H](C)c1ccc(Cl)cc1Cl 32800301 NTLJWIMIEKJEDP-GHMZBOCLSA-N 401.721 5.333 0 40 HKAB COc1cc(CN(C(=O)Nc2cccc(Cl)c2F)C2CC2)ccc1OC(F)F 40120088 DARNUSHMXZCMJE-UHFFFAOYSA-N 414.811 5.286 0 40 HKAB FC(F)n1c(=S)n(CN2CCc3nc(-c4ccccc4)ncc3C2)c2ccccc21 40139152 AGEFVUOWMZZDAW-UHFFFAOYSA-N 423.492 5.040 0 40 HKAB Clc1ccc(C2(c3nnc(Cc4ccc5ccccc5c4)o3)CCOCC2)cc1 71889957 AZOUKJNFLPKSTR-UHFFFAOYSA-N 404.897 5.564 0 40 HKAB CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72214655 VXZOXSLJVQPTKA-HXUWFJFHSA-N 409.530 5.210 0 40 HKAB COc1cccc(-c2cccc([C@@H]3CCCN(Cc4ccc(NC(C)=O)cc4)C3)n2)c1 72349931 WDKNMRAOPZTDET-JOCHJYFZSA-N 415.537 5.095 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)N(CCc1cccs1)Cc1ccoc1 90612469 AWVMHXDWKJYKRE-UHFFFAOYSA-N 416.546 5.885 0 40 HKAB Cc1ccc2c(-c3cc4c(CNC5CCCCC5)cnc(C)c4o3)cc(=O)oc2c1C 95475304 YREAHTBRPTUPKF-UHFFFAOYSA-N 416.521 5.949 0 40 HKAB CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 102413396 DWSPFYJFRYMHKT-DOXZYTNZSA-N 417.427 6.047 0 40 HKAB Cc1ccc(C2=NN3[C@H](c4cccnc4)Oc4ccc(Br)cc4[C@H]3C2)cc1 102722403 HAIJNCQEPHOXLB-IRLDBZIGSA-N 420.310 5.395 0 40 HKAB Cc1ccc2c(c1)[C@H](NC(=O)CCCSc1ccc(Cl)cc1)CC(C)(C)O2 222695230 GFRXZTPTZQHMIQ-LJQANCHMSA-N 403.975 5.939 0 40 HKAB Cc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222776854 AQZCRBPLUWUGCG-OAQYLSRUSA-N 422.613 5.383 0 40 HKAB CC[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc2c(c1)CCCC2 223068678 NBOBCGOYRVKSHW-VWLOTQADSA-N 415.602 6.739 0 40 HKAB S=C(NCc1ccc(Cl)cc1)Nc1ccc(N2CCCc3ccccc32)nc1 223930985 SCJJPHUQUZMFMR-UHFFFAOYSA-N 408.958 5.306 0 40 HKAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)NCc1ccccc1Cl 224874663 IUZOPMBFNRJXKR-UHFFFAOYSA-N 419.706 5.007 0 40 HKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1C 225341407 ALOJNMWRHKNBCA-GOTSBHOMSA-N 420.582 5.001 0 40 HKAB CC[C@@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc(OC)c(C)c1 225844959 YUKYKGDBPWKYGZ-GOSISDBHSA-N 412.382 5.811 0 40 HKAB CC(C)COc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)c2ccccc12 225943528 ICCZDURJCIWYMM-UHFFFAOYSA-N 409.957 6.735 0 40 HKAB Fc1ccccc1C[n+]1cc(Br)cc(-c2nc3ccccc3s2)c1 226308033 YRYKDOHGYYCROK-UHFFFAOYSA-N 400.296 5.201 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCCN2C(=O)[C@@H](C)Cn2ccc(C)n2)n1 257314285 UWFCGBMIOTVUKT-XDHUDOTRSA-N 420.532 5.091 0 40 HKAB O=C(Nc1ccccc1Br)c1cc(Cl)ccc1OCc1ccccc1 408587664 SYXXYKZGGNQWAK-UHFFFAOYSA-N 416.702 5.934 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1OCC 408618134 DOLBKIUOWOOMDD-UHFFFAOYSA-N 410.283 5.418 0 40 HKAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3cccc(Cl)c3)sc2n1 408620182 KXJRIXSVSDXATC-UHFFFAOYSA-N 418.975 5.309 0 40 HKAB CCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc1OC 408620334 LWGOCADWXRSJON-UHFFFAOYSA-N 411.885 6.100 0 40 HKAB CCOc1ccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 409120459 WBHIJRVQZCVOSY-UHFFFAOYSA-N 417.936 7.083 0 40 HKAB O=C1S/C(=C/c2cc(Br)cs2)C(=O)N1c1ccc(Cl)cc1 409192067 UHHMHHBQOGCCQN-WUXMJOGZSA-N 400.706 5.405 0 40 HKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(F)cc2)nc1-c1cc(C)ccc1C 409204371 GBPJTOFYWYCJDA-UHFFFAOYSA-N 424.541 6.120 0 40 HKAB O=C1N/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1Cc1ccccc1 409205626 DFVNEGBCPOIXTJ-KGENOOAVSA-N 418.880 5.012 0 40 HKAB O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2ccccc2Cl)N1c1ccccc1 409330127 JAOHPIDBCJAMJI-SANMLTNESA-N 424.931 6.706 0 40 HKAB CC1CCC(c2noc(-c3ccccc3OCC(=O)Nc3ccccc3F)n2)CC1 570884759 KNPYHCXJOJJCLW-UHFFFAOYSA-N 409.461 5.187 0 40 HKAB Cc1ccc(CN2CCCCCCCN(C(=O)CC(C)C)c3ccccc3C2)cc1 643559079 LBIKLNDYOVNJDN-UHFFFAOYSA-N 406.614 6.340 0 40 HKAB COc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)cc1 944534 RJYOVUQIOZBGGK-HNNXBMFYSA-N 421.518 5.520 0 40 HKAB COc1ccccc1[C@H](CCN(Cc1ccco1)C(C)=O)c1ccc(OC(C)C)cc1 1321518 UBRQBRSAYMZVFZ-XMMPIXPASA-N 421.537 5.646 0 40 HKAB biogenic O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1cc(Cl)ccc1Cl 1359057 DBIWRLGYYRHSPA-UHFFFAOYSA-N 420.365 5.421 0 40 HKAB CSc1nc(NCc2ccco2)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 2433622 ZRUPUNCODZEUEP-UHFFFAOYSA-N 410.568 5.779 0 40 HKAB O=C(Cc1ccccc1F)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 2628730 WKXZFMIYBDIVRS-UHFFFAOYSA-N 405.498 5.491 0 40 HKAB Cc1cc(C)c(C(=O)CSc2nnc(-c3ccccc3Br)o2)cc1C 2650498 PEDKHFKXNZGLTE-UHFFFAOYSA-N 417.328 5.399 0 40 HKAB CCCCCSc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccccc1 2721666 SBBRZCGMDPAAQW-UHFFFAOYSA-N 401.553 5.765 0 40 HKAB Cc1nn(Cc2ccc(-c3n[nH]c(=S)n3[C@@H](C)c3ccccc3)cc2)c(C)c1Cl 2793227 YZFUBMUGIQSDEI-HNNXBMFYSA-N 423.973 5.732 0 40 HKAB CCOc1ccc(-c2nc(COC(=O)c3cc4c(s3)CCC4)cs2)cc1OC 3419887 DXDREPSQRHWOFE-UHFFFAOYSA-N 415.536 5.125 0 40 HKAB O=C(Nc1ccccc1C(=O)OC1CCCCCCCCCCC1)c1ccccc1 4357273 BCSXFRBAUFKUEZ-UHFFFAOYSA-N 407.554 6.769 0 40 HKAB CN(C)CCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccc(F)cc2s1 4359611 GQIGPNNTHOCRDQ-UHFFFAOYSA-N 413.562 5.331 0 40 HKAB Cc1nnc(S[C@H](C)C(=O)c2ccc(Br)cc2)n1C1CCCCC1 4925195 ALIQVSCEHMILCK-GFCCVEGCSA-N 408.365 5.218 0 40 HKAB CCCCCn1c([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 5235897 VMFQRDMMQNIMKM-INIZCTEOSA-N 415.459 5.766 0 40 HKAB CCn1c(NC(=O)c2cccs2)c(-c2ccc(OC)cc2)c(=O)c2ccccc21 5426698 XQQMNRVXCZJEKK-UHFFFAOYSA-N 404.491 5.011 0 40 HKAB C[C@]12C=CC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)OCC1CCCCC1 6067464 GQJSFWYQKNQCIK-APFRJGHOSA-N 410.554 6.071 0 40 HKAB in-vitro COc1ccccc1NC(=O)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1 6286204 AYFQYYXXQRNQMY-UHFFFAOYSA-N 400.434 5.254 0 40 HKAB O=C(COc1ccc2ccccc2c1)Nc1nnc(SCc2ccccc2)s1 7688074 CDANTLKIZZCFTF-UHFFFAOYSA-N 407.520 5.001 0 40 HKAB COc1ccc(C2=Nc3ccc(Br)cc3C(c3ccc(C)cc3)=NN2)cc1 12486537 SCKPVNCKRBJEQK-UHFFFAOYSA-N 420.310 5.200 0 40 HKAB S=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccn(Cc2ccccc2Cl)n1 13330961 CTPMSATYQXECCP-UHFFFAOYSA-N 411.745 5.701 0 40 HKAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 14128639 MRICITBDJZUKNS-JOCHJYFZSA-N 423.871 5.206 0 40 HKAB CC(=O)c1ccc(OCCCC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cc1 14197996 PFTHXKYIVJAZLD-VWLOTQADSA-N 419.546 5.284 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)/C=C/c1ccco1 17091897 CIHUWIIBIVBRDA-PKNBQFBNSA-N 419.531 5.391 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)c4cccs4)cc3O)nc2c1 17093622 VKOAKIATATVYAP-UHFFFAOYSA-N 423.519 5.006 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(OCc2ccccc2)cc1 21577032 AGXVOULTDUZZOC-UHFFFAOYSA-N 404.485 5.647 0 40 HKAB O=C(CSCc1ccc(Br)cc1)Nc1ccccc1Br 22679399 ATEXIULXCBBNIO-UHFFFAOYSA-N 415.150 5.084 0 40 HKAB Cc1ccc(-c2csc(SCC(=O)N3CCC[C@H]3c3cccs3)n2)cc1 24633859 RERSSJLKMYATAN-KRWDZBQOSA-N 400.594 5.636 0 40 HKAB O=C1Nc2ccc(S(=O)(=O)Oc3ccc(C4CCCCC4)cc3)c3cccc1c23 26459394 HPSUOTDGMRPESJ-UHFFFAOYSA-N 407.491 5.221 0 40 HKAB Cc1ccc(OCC(=O)n2c(SCc3ccccc3F)nc3ccccc32)cc1 27026493 NZUIXIJLKCGPIS-UHFFFAOYSA-N 406.482 5.495 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c1 27661954 GGRUXDTWIGOMFS-QFIPXVFZSA-N 414.977 5.104 0 40 HKAB CCCCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 27664285 JUNZIKYJLUAXOW-NRFANRHFSA-N 400.950 5.086 0 40 HKAB CCN(CC)[C@H](CNC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 28290628 KBNWGGFMSJKKOX-QPLBDWIMSA-N 413.005 5.850 0 40 HKAB Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3cc(C)cc(C)c3)n2)cc1 32578826 WBKRPELCGNQHIC-UHFFFAOYSA-N 413.477 5.493 0 40 HKAB Cc1noc(C)c1COc1ccc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc1 32716493 IDUHVMZWGSKEFU-UHFFFAOYSA-N 406.269 5.012 0 40 HKAB O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)Nc1cccc2ccccc12 35315023 MNTGGPJBVZWCNR-UHFFFAOYSA-N 410.502 5.509 0 40 HKAB CC[C@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1)c1ccc(C)cc1 36616709 OXFJQSBVDHHWDB-QHCPKHFHSA-N 424.548 5.796 0 40 HKAB O=C(CSc1ccc2ccccc2c1)Nc1ccc(N2CCOCC2)c(Cl)c1 36644281 LQYLAGYONPGSSI-UHFFFAOYSA-N 412.942 5.061 0 40 HKAB Cc1nccn1-c1ccccc1CNC(=O)CSCc1ccc(Cl)c(Cl)c1 38753274 BIIXFCMBHBFRNC-UHFFFAOYSA-N 420.365 5.037 0 40 HKAB Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2C2CCCCC2)n1 44086250 NVIGDHKCJVOUMV-UHFFFAOYSA-N 412.584 5.551 0 40 HKAB Cc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2-c2ccc(C)cc2)cc1 44086502 HVEPGBRTBOEZOQ-UHFFFAOYSA-N 405.567 5.261 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 44840966 GYFXFWFVKADNBQ-DYESRHJHSA-N 403.950 5.636 0 40 HKAB Cc1cc2nnc(SC[C@H](O)c3ccccc3C(F)(F)F)n2c2ccccc12 60522686 QMWOPEYIOWUJKQ-KRWDZBQOSA-N 403.429 5.035 0 40 HKAB COc1ccc(C[C@H]2CCCN2C(=O)CCc2ccc(-c3ccccc3F)o2)cc1 69930457 FNBINDXKKPGXQI-LJQANCHMSA-N 407.485 5.261 0 40 HKAB O=C(CCn1ccc2cc(OCc3ccccc3)ccc21)Nc1ccc2cc[nH]c2c1 70666615 NXMUBFGSUITIDX-UHFFFAOYSA-N 409.489 5.730 0 40 HKAB biogenic CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72215129 DHNDPOMODFQLRV-WIYYLYMNSA-N 423.557 5.599 0 40 HKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72215225 YJAYISCSPXCHDR-SJLPKXTDSA-N 419.566 5.694 0 40 HKAB CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)c1ccccc1 72370468 MSCUZRRGODQJJV-LJQANCHMSA-N 420.578 5.277 0 40 HKAB Cc1c(Br)c(N)c(Br)c2nc(-c3ccc(Cl)cc3)oc12 73639519 UQQFUWOZMACDIW-UHFFFAOYSA-N 416.500 5.564 0 40 HKAB O=C(Nc1ccccc1Cl)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77177521 HLYKDOUCHXZCDN-ZDUSSCGKSA-N 416.909 5.409 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccnn2-c2ccc3ccc(-c4cccnc4)cn23)c1 96037990 SFHPWGRYYGDPIC-UHFFFAOYSA-N 407.477 5.056 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)c1nn2c(-c3cc4ccccc4o3)nnc2s1 96193933 JHXCBDHXLQFMJE-UHFFFAOYSA-N 410.886 5.567 0 40 HKAB C[C@@H](Sc1nnc2c(n1)[C@]1(C)CC[C@@H]2C1(C)C)C(=O)Nc1cccc2ccccc12 100251792 SSWREBXQUUEKHH-DOLBFCBYSA-N 418.566 5.319 0 40 HKAB Cc1c(Br)ccc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)c1C 102518072 PSNSRACEUKDZNJ-KURKYZTESA-N 412.327 5.139 0 40 HKAB OC1=C2C(=Nc3ncnn3[C@H]2c2cc(F)cc(F)c2)C[C@H](c2cccc(Cl)c2)C1 102709288 XVNWVLQLJSYQML-YUNKPMOVSA-N 412.827 5.275 0 40 HKAB Cc1cc(Nc2ccccc2)nc2cc(Cl)c(S(=O)(=O)Nc3ccccc3)cc12 217436054 VLPBSGGASNGWJX-UHFFFAOYSA-N 423.925 5.741 0 40 HKAB CC[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(OC)c(OC)c1 219131301 BZFSSSYGVZHXOL-HSZRJFAPSA-N 403.522 5.493 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COCc1ccccc1 224460817 KGZDNVKJQQZFBS-UHFFFAOYSA-N 416.304 5.971 0 40 HKAB O=C(NCc1cccc(CN2CCCCC2)c1)/C(=C/c1ccco1)c1ccccc1 224646174 LTWJDIZJJWWAIW-XIEYBQDHSA-N 400.522 5.123 0 40 HKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)ccc1F 224895252 RWOLTZBGRZVNNJ-PKTZIBPZSA-N 420.557 5.623 0 40 HKAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)[nH]1 225382560 WSSCCWQBMRTWTD-PKTZIBPZSA-N 418.566 5.217 0 40 HKAB CCOC(=O)c1cccc(NC(=S)NCCCSCc2ccc(Cl)cc2)c1 225610153 DKVBYJOYCIINLR-UHFFFAOYSA-N 423.003 5.127 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C(=O)OC 225758358 DUUQWVZYUFWUOA-UHFFFAOYSA-N 409.526 5.411 0 40 HKAB CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccc(-c4ccccc4)cc3)oc2c1 226284007 IDGDCQMVXHEUSX-UHFFFAOYSA-N 410.395 6.077 0 40 HKAB O=C(c1ccccc1F)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257340593 ZGUZJJACKUBQPV-GHTZIAJQSA-N 415.892 5.014 0 40 HKAB O=C(COc1ccc(Cl)cc1CNc1ccc(F)c(Cl)c1)Nc1ccccc1 408609732 OMFDMULMNQQFKB-UHFFFAOYSA-N 419.283 5.762 0 40 HKAB CCCOc1c(Cl)cc(CNc2ccc(Br)cc2C)cc1OCC 408614004 XFWYZRVBEMBLAF-UHFFFAOYSA-N 412.755 6.211 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2ccc(C)cc2)cc1 408699705 VVVAECCBGMOSOX-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB Cc1cccc(C2=N/C(=C/c3ccc(OC(=O)c4cccc(Cl)c4)cc3)C(=O)O2)c1 408988930 SEMCDJYNMKXVOQ-FYJGNVAPSA-N 417.848 5.212 0 40 HKAB COc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 409116839 LYTULGGSNYTTSB-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB CC(C)c1ccc(NC(=S)NC(=O)c2cc(Br)ccc2Cl)cc1 678876 FWNDSJCLTPAXNF-UHFFFAOYSA-N 411.752 5.353 0 40 HKAB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1cccc(F)c1 827808 PCXYDKQVNCNKHS-UHFFFAOYSA-N 417.552 6.249 0 40 HKAB COc1ccc(C(=O)Nc2sc(C)c(C)c2CN2CCc3ccccc3C2)cc1 938001 FAIGVFDSKRSPHB-UHFFFAOYSA-N 406.551 5.184 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccccc3)c3cccc(Cl)c3n2)o1 1005812 OAZPSXLBKIDLOR-UHFFFAOYSA-N 405.837 5.496 0 40 HKAB Cc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCCC3)cc1 1081046 VLNLDWHPMDPDAK-UHFFFAOYSA-N 404.535 5.369 0 40 HKAB Nc1c(-c2ccc(Cl)cc2)cnc2nc(SCc3c(F)cccc3Cl)nn12 1387394 WZPWGUXMDKNPJR-UHFFFAOYSA-N 420.300 5.112 0 40 HKAB O=C(O)c1cc(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc2ccc(F)cc12 1424687 ZVVVJHWTJQOTIK-UHFFFAOYSA-N 401.315 6.018 0 40 HKAB COc1cc(NC(=O)c2ccccc2SCc2ccccc2)cc(OC)c1OC 1426060 JPOHPYLPDKPHOF-UHFFFAOYSA-N 409.507 5.257 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)c1ccc2ccccc2c1 1465775 JIELCQHAYWUXMV-UHFFFAOYSA-N 405.475 5.899 0 40 HKAB CCCCCCc1cc2cc(-c3csc(Nc4ccccc4)n3)c(=O)oc2cc1O 2026498 ARIFNKLOEVCFRE-UHFFFAOYSA-N 420.534 6.489 0 40 HKAB biogenic Cc1ccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc23)cc1C 2088688 YXUFLVHUQVNQTM-UHFFFAOYSA-N 400.909 6.733 0 40 HKAB Nc1c(C(=O)c2ccc(-c3ccccc3)cc2)sc2nc(-c3ccccc3)ccc12 2151570 HEILJWDPTQEHJA-UHFFFAOYSA-N 406.510 6.444 0 40 HKAB Cc1ccc2[nH]c(SCC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc2c1 2274415 JMXMHKCMUUCHTP-UHFFFAOYSA-N 410.583 6.147 0 40 HKAB Cc1ccccc1CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2 2720007 CYYRVTMGUGSZHZ-UHFFFAOYSA-N 400.956 5.135 0 40 HKAB CCCCCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1 2721767 MHPCNPXFPGQWKJ-UHFFFAOYSA-N 411.545 5.657 0 40 HKAB COc1ccccc1CNC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12 2767645 NLODCMVTAYTBOZ-UHFFFAOYSA-N 416.908 5.802 0 40 HKAB CCOP(=O)(OCC)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccccc1 2908142 RLHOEHMFZXSKEG-UHFFFAOYSA-N 420.833 5.499 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCCC3)cc2c1 4230959 NEIHVDPGONEIJD-UHFFFAOYSA-N 416.565 5.719 0 40 HKAB Fc1cccc(N2N=C(/C=C/c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)c1 4321494 GNPOFAYEOONMJJ-APYIBEOOSA-N 411.307 7.153 0 40 HKAB CCc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2cnc2ccc(Cl)cc23)cc1 4970258 FKFLTUZWNIWDCH-UHFFFAOYSA-N 413.908 6.465 0 40 HKAB CCCCc1ccc(Nc2nnc(SCC(=O)N3CCCCCC3)s2)cc1 5694689 HHJBAQLPDCPZDF-UHFFFAOYSA-N 404.605 5.119 0 40 HKAB COc1ccc(CCNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3)n2)cc1 5959406 YHONNXXJCMDDQN-UHFFFAOYSA-N 421.500 5.364 0 40 HKAB biogenic C=CCn1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)c2ccccc21 6630292 MQDGAPQNVPKRJL-UQRBVYKBSA-N 417.534 5.460 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(OCc2ccccc2)c1 7668534 BOSDEBHTTJCTGL-UHFFFAOYSA-N 409.485 6.097 0 40 HKAB CC(=O)c1ccc(-c2ccc(C(=O)N(CC(C)C)c3nc4ccccc4s3)o2)cc1 7973683 FWTQOYBYEATSHC-UHFFFAOYSA-N 418.518 6.062 0 40 HKAB CCOc1cc(CNCCOC)cc(Cl)c1OCc1ccc(Cl)cc1Cl 8254026 XMJDLAVFFALNHC-UHFFFAOYSA-N 418.748 5.361 0 40 HKAB CSc1ccccc1NC(=O)Cc1csc(SCc2ccc(F)cc2)n1 8854077 YXVMWMXCTFYFQU-UHFFFAOYSA-N 404.557 5.478 0 40 HKAB O=C(CSc1ccc2c(c1)CCC2)N1CCC(c2nc3ccccc3s2)CC1 9216882 IDSCVORMZSHWQI-UHFFFAOYSA-N 408.592 5.283 0 40 HKAB COc1ccc(NC(=O)Cn2c(-c3ccccc3Cl)nc3ccccc32)c(OC)c1 9373445 KDESUWGMSZTJCX-UHFFFAOYSA-N 421.884 5.013 0 40 HKAB Cc1ccc(C)c(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)C2CCCCC2)c1 9464085 HEKAGKPUJHEQOQ-UHFFFAOYSA-N 402.538 5.567 0 40 HKAB O=C(COC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1cccc2ccccc12 9704478 NPWXCFKSAAVXTP-UHFFFAOYSA-N 418.452 5.490 0 40 HKAB O=C(Cc1csc(-c2ccc(F)cc2)n1)N[C@H](c1ccc(Cl)cc1)C1CC1 9861696 XLKAZSGNEIUGSI-FQEVSTJZSA-N 400.906 5.413 0 40 HKAB C[C@H](NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)c1cccs1 12567858 KMYNRXLQTWHNLR-KSSFIOAISA-N 413.930 5.023 0 40 HKAB COc1cccc(CN(C)C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1 12744790 KQPNKQNNZFWIHT-UHFFFAOYSA-N 400.453 5.322 0 40 HKAB C[C@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)Nc1cccc(Cl)c1 12752097 CBJOJOJQPCQNJY-HNNXBMFYSA-N 408.889 5.423 0 40 HKAB O=C1CCC[C@H]1Sc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1 12782228 JKIHIJCPSLXWNM-JOCHJYFZSA-N 405.567 5.741 0 40 HKAB COc1ccccc1[C@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)N1CCCC1 12882627 VOYVDQIPUWRVSF-FQEVSTJZSA-N 424.928 5.176 0 40 HKAB O=C(c1cc(F)ccc1Br)N1CCC[C@@H](c2nc3ccccc3s2)C1 12979361 ZYGMISPMUFKBPS-GFCCVEGCSA-N 419.319 5.218 0 40 HKAB CN(Cc1ccc(F)cc1)Cn1nc(-c2ccc(F)cc2)n(-c2ccccc2)c1=S 13073093 WSMNCDRPRDYRFX-UHFFFAOYSA-N 422.504 5.438 0 40 HKAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(N2CCCC2=O)c(Cl)c1 14802618 ZYXLPGTZGUCIOX-UHFFFAOYSA-N 418.880 5.547 0 40 HKAB Cc1ccc(OCC(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)cc1 16293583 NDPANJHUNOCVKV-UHFFFAOYSA-N 422.488 5.208 0 40 HKAB Cc1c(-c2ccccc2)c(C(=S)NC(=O)c2ccccc2)c2n(C)c3ccccc3n12 16806057 CWPCTBASCGLODH-UHFFFAOYSA-N 423.541 5.512 0 40 HKAB CCCCc1ccc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1 16899427 UIAFJEVOPILFCD-GOSISDBHSA-N 422.472 5.490 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC12CC3CC(CC(C3)C1)C2 17090519 JXHFPBJRDXVETQ-ZZXKWVIFSA-N 416.348 6.352 0 40 HKAB COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)Cc3ccccc3OC)no2)cc1 19558043 SLTIAKOZGMFVDQ-JOCHJYFZSA-N 420.509 5.045 0 40 HKAB CCc1ccc(OCC(=O)N[C@H](CC(C)C)c2ccccc2)c(Br)c1 20483314 GVWRSJPVRNMQGL-LJQANCHMSA-N 404.348 5.294 0 40 HKAB COc1ccc(-n2nc(Nc3cc(Cl)cc(Cl)c3)c3c2C[C@H](C)CC3=O)cc1 20797006 WMLWJLMHOLQJOD-LBPRGKRZSA-N 416.308 5.696 0 40 HKAB CCSc1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 22529161 JFLIHVLURPZOPY-UHFFFAOYSA-N 402.563 5.609 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 22531490 SPOWYILEOBVPFI-QFIPXVFZSA-N 404.510 5.164 0 40 HKAB COc1ccc(NC(=O)N(C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)cc1 23235205 AFQTYAKAGIMJBX-KRWDZBQOSA-N 400.482 5.259 0 40 HKAB O=C(NCCc1ccccc1)c1ccccc1NC(=O)c1cc(Cl)sc1Cl 23990225 IXHARDDSGAAQIS-UHFFFAOYSA-N 419.333 5.280 0 40 HKAB CCCCc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 30938195 VODBFEQZHDUZIC-LJQANCHMSA-N 419.396 6.187 0 40 HKAB COc1cc2sc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)nc2cc1Cl 32126257 JDRIMLQKCTYNCB-HWKANZROSA-N 413.713 5.917 0 40 HKAB O=[S@@](Cc1coc(-c2cccc(Cl)c2)n1)C(c1ccccc1)c1ccccc1 32801014 SKPBQWDCEPNRSI-MUUNZHRXSA-N 407.922 6.033 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)c1 39768565 YSCQKYFNGDDNLB-UHFFFAOYSA-N 414.490 5.018 0 40 HKAB CC1=C[C@@]2(Nc3cc(-c4ccccc4)ccc3O2)c2c(C)nn(-c3ccccc3)c2O1 40546424 YMXRKHLKGKAYIN-SANMLTNESA-N 407.473 5.801 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 43171183 FRHYBLCZLZYEMP-SFHVURJKSA-N 405.542 6.486 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2cc(C)ccc2C)sc2c1CCCC2 44849268 BDIRKXAOHSDJOB-KRWDZBQOSA-N 415.555 5.217 0 40 HKAB c1ccc2c(c1)-c1ccccc1C2CCCCCCC1c2ccccc2-c2ccccc21 68568389 LOYXWOMINCEKDY-UHFFFAOYSA-N 414.592 8.952 0 40 HKAB biogenic O=C(c1ccc(Cl)cc1)c1c(NC(=O)C(F)(F)F)sc2c1CCCCC2 71471625 NYYFNQHPASGFQP-UHFFFAOYSA-N 401.837 5.402 0 40 HKAB CCCCN(C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)[C@H](CC)c1ccccc1 72285135 RVHQVGKKCPQZGA-RPBOFIJWSA-N 404.554 5.731 0 40 HKAB ClC12C3c4ccccc4C(c4ccccc43)C1C1c3ccccc3C2c2ccccc21 104105346 ANZGJWACUMIXHG-UHFFFAOYSA-N 416.951 7.162 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1C 218877724 UOFZXVUOXHDRRX-MRXNPFEDSA-N 404.348 5.446 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)c1ccccc1 219336056 DDKALECXEFKKIO-XMMPIXPASA-N 409.485 5.867 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219339850 PHTOCBGGMRNMRT-FGZHOGPDSA-N 419.521 5.424 0 40 HKAB COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1OC 222628311 XRHVXGDYLHGJCJ-UHFFFAOYSA-N 418.880 5.825 0 40 HKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1c(F)cccc1Cl 222953037 AAGBTGZCBLIWMC-IBGZPJMESA-N 409.954 5.303 0 40 HKAB CSc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)c1 223235462 ZVRHSBAQGBXXQK-ZHZULCJRSA-N 408.548 5.188 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223373103 NLVZQRBVDHVLKN-HTAPYJJXSA-N 417.977 6.124 0 40 HKAB CCc1cccc(CC)c1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1 223590612 GFGGZYHDNYLROF-JWGURIENSA-N 402.494 5.122 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2OC)cc1COc1cc(C)cc(C)c1C 224278690 ZBWQTADIWZGKJL-UHFFFAOYSA-N 405.494 5.460 0 40 HKAB COc1ccc(-c2nnc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)s2)cc1 224294952 VRFRLENUNJFEHI-WEVVVXLNSA-N 406.294 5.172 0 40 HKAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1Cl 225541476 UPKDLGYTGWWAOK-GOSISDBHSA-N 415.961 5.903 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c2ccccc12 225684225 PTUYEIWQKJNUCS-SFHVURJKSA-N 405.513 6.607 0 40 HKAB Nc1ccc(NC(=O)c2cccc3c(Br)cccc23)c(Br)c1 227157032 BJCZIVJDABEPJB-UHFFFAOYSA-N 420.104 5.199 0 40 HKAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1Cl 408585807 JMXZTWPEKSLUOA-UHFFFAOYSA-N 415.125 5.500 0 40 HKAB CCc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 408663659 AZHBIUFIYWJXTP-UHFFFAOYSA-N 424.500 5.568 0 40 HKAB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 408735132 JXBHYZXYNOOFBD-PJYWLYPCSA-N 413.904 5.085 0 40 HKAB CC(C)(C)c1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc(C(C)(C)C)c1O 408986678 SKIKDNPJWNANJY-UHFFFAOYSA-N 424.610 6.633 0 40 HKAB COc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)cc1 409113775 NUXCMJXZXSIORK-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB Cc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1Cl 409115428 JBHLAZBAQXPMFA-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB COc1cc(Br)c(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1OC 409116993 NBMOEFRGJPZCEP-SXGWCWSVSA-N 416.315 5.010 0 40 HKAB Cc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(C)c1-c1ccc(Cl)cc1 409205261 PCIGFIUNLJPWBZ-PYCFMQQDSA-N 411.741 5.763 0 40 HKAB CN1C(=O)S/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)C1=O 409358527 LMGTUWKTIGNAKL-LSCVHKIXSA-N 400.862 5.148 0 40 HKAB C[C@@H]1CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccc5ccccc5c4)cc3cc21 575473055 APKMOLNQZCQRAF-MRXNPFEDSA-N 411.501 5.899 0 40 HKAB CCCc1ccc(OCc2nc(-c3cc(C)ccc3OC(C)C)ccc2C(=O)O)cc1 585265675 XLMRYNSJUAVRNS-UHFFFAOYSA-N 419.521 6.074 0 40 HKAB c1ccc([C@H]2COC(C3(C4=N[C@@H](c5ccccc5)CO4)Cc4ccccc4C3)=N2)cc1 1987970600 CXTGPFGXKVGOQY-DNQXCXABSA-N 408.501 5.112 0 40 HKAB O=C(c1cc2cccc(F)c2[nH]1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 2037846061 MLCJQYGLYXFSMQ-NRFANRHFSA-N 403.457 5.253 0 40 HKAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3)n2-c2ccccc2)cc1 636646 JWWAEUKNOLDLAS-IZHYLOQSSA-N 400.503 5.264 0 40 HKAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C3C4CC5CC(C4)CC3C5)[C@H]2C1=O 637112 JKIGKXZBOSMTRZ-LLYNYRBSSA-N 419.952 5.323 0 40 HKAB COc1cccc(C(=O)N(c2ccccc2)[C@H]2C[C@H](C)N(C(C)=O)c3ccccc32)c1 713021 HXHUJYWBFHSGAR-BVZFJXPGSA-N 414.505 5.228 0 40 HKAB Cc1cc(C)c2cc(C)c3nnc(SCC(=O)Nc4ccccc4Cl)n3c2c1 877232 LPBANAGJHHCHEO-UHFFFAOYSA-N 410.930 5.192 0 40 HKAB CCc1ccc(Oc2coc3cc(OC(=O)c4cccc(C)c4)ccc3c2=O)cc1 950712 MTSYGTXPCDIMHC-UHFFFAOYSA-N 400.430 5.675 0 40 HKAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Nc1cc(Cl)ccc1O 955744 OQLLHTBPGSYICZ-UHFFFAOYSA-N 410.779 5.533 0 40 HKAB CN(C)CCCCN1c2ccccc2Sc2ccc(C(=O)c3ccccc3)cc21 1646841 KVBFRXVIVVAPQM-UHFFFAOYSA-N 402.563 5.862 0 40 HKAB CCCCCCSc1nnc2c(n1)O[C@@H](c1cccc(C)n1)Nc1ccccc1-2 2086912 MBXPDDWJVRJGTC-FQEVSTJZSA-N 407.543 5.418 0 40 HKAB Cc1cccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1 2221529 VKZYJXQGYXFWLE-UHFFFAOYSA-N 423.266 5.524 0 40 HKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)CSC1=NCCS1 2270153 LVFWTSBBRRZKNJ-QHCPKHFHSA-N 410.608 5.344 0 40 HKAB CSc1ncccc1C(=O)OCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12 2630029 QBQLETNKFYPUSA-UHFFFAOYSA-N 416.502 5.002 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N[C@H]4C[C@@H](C)CC(C)(C)C4)ncnc32)cc1 2714356 BVHUSVVAAOTSML-IRLDBZIGSA-N 424.592 7.023 0 40 HKAB Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)NC1CCCCCCC1 2737437 LBLMAGMQEAOACF-UHFFFAOYSA-N 406.957 6.706 0 40 HKAB CCOC(=O)N[C@H]1Cc2ccccc2[C@H]1Sc1ncc(C(F)(F)F)cc1Cl 3048226 MWSJHMRNHUOSGT-LSDHHAIUSA-N 416.852 5.258 0 40 HKAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccccc1Br 3370519 CYOZTUMIFAVBOU-UHFFFAOYSA-N 421.718 5.340 0 40 HKAB CC(C)c1ccccc1N(C(=O)c1cc2ccccc2o1)c1nc2ccccc2s1 3425195 AWCHWBQJRSQPJN-UHFFFAOYSA-N 412.514 7.144 0 40 HKAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 3655576 VKFAIMDQUQGORZ-LJQANCHMSA-N 417.436 5.599 0 40 HKAB C[C@@H]1C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C[C@H]1OC(=O)c1ccccc1 4083779 FODHMRRHZAVFBM-BPBMJBDGSA-N 408.582 6.070 0 40 HKAB biogenic COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 4628757 GECDKZDSKUMLSP-KBAYOESNSA-N 411.567 5.428 0 40 HKAB O=C(NCc1ccccn1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@@H](c1ccccc1)N2 5031868 NNDAFHZMYZKVOO-KODLMIKCSA-N 409.533 5.308 0 40 HKAB CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccc(F)cc2)cc1O 5176345 LBDMHTZQLZCGAZ-UHFFFAOYSA-N 420.440 5.691 0 40 HKAB Cc1ccc(Cl)c2sc(N(Cc3ccccn3)C(=O)Cc3ccccc3)nc12 5265403 JXYAMSVTNNWRLS-UHFFFAOYSA-N 407.926 5.429 0 40 HKAB Cc1ccc(-c2nnc(S[C@@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)o2)cc1C 5312680 LHUZOPJBBDYUJF-ZDUSSCGKSA-N 412.540 5.122 0 40 HKAB Cc1cccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccsc3)C2=O)c1C 5484680 GJENASBJFFHPFA-NRFANRHFSA-N 410.926 5.139 0 40 HKAB O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)c2cccc3cccc(c23)C1=O 5681702 SERRAOWKORJNPL-UHFFFAOYSA-N 411.844 5.525 0 40 HKAB C[C@@H](CCc1ccccc1)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 6249567 AMWWRAHEOJXXJL-SFHVURJKSA-N 414.936 6.306 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)cc2OC)N3)C1 6396222 AJCCTVNKUQXJLC-RBZFPXEDSA-N 414.571 5.735 0 40 HKAB O=C(CSC(c1ccccc1)c1ccccc1)Oc1ccc(-c2nnco2)cc1 7779879 IQZCSZWHNARCJO-UHFFFAOYSA-N 402.475 5.165 0 40 HKAB CCc1ccc(-c2csc(NC(=O)c3sc(C)nc3C)c2C(=O)OC)cc1 7995472 WEQWAVNWIPQMCC-UHFFFAOYSA-N 400.525 5.090 0 40 HKAB COc1cccc(-c2nc([C@@H]3Nc4ccccc4C(=O)N3Cc3ccco3)cs2)c1 9157388 KUUPNVVLMGTEBY-OAQYLSRUSA-N 417.490 5.178 0 40 HKAB CSc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c1 10060243 MVBLTCAMQCIRQC-JOCHJYFZSA-N 424.547 5.028 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1 10277122 WSSJNCRDIWAZGF-HNNXBMFYSA-N 402.523 5.193 0 40 HKAB Cc1nc(-c2ccc(CCNC(=O)Cc3c(C)nc4ccccc4c3C)s2)cs1 12396456 LBFKPDSDGPVDSB-UHFFFAOYSA-N 421.591 5.246 0 40 HKAB CSc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 12648632 QTVPAAYXOOOSMJ-UHFFFAOYSA-N 416.596 7.217 0 40 HKAB O=C(Cc1cccs1)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1 13350079 NVZOTBCAZHUULE-UHFFFAOYSA-N 407.520 5.272 0 40 HKAB COc1ccc(CN2CC[C@@H](C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1 13996951 GACVFXYUDRVNOK-RPBOFIJWSA-N 419.496 5.289 0 40 HKAB COc1ccc(-n2c(-c3ccc(Cl)cc3)cnc2Nc2nc(C)cc(C)n2)cc1 14608332 PCERHQOBLFTWSG-UHFFFAOYSA-N 405.889 5.352 0 40 HKAB CSc1ccc([C@@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccccc2)cc1 15412340 JZNLULDARNXOPR-XMMPIXPASA-N 416.546 5.146 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)N1CCCC1 16449237 SPZFBOSADWXRHY-UHFFFAOYSA-N 423.365 5.101 0 40 HKAB S=C(Nc1ccc(Cl)cc1Cl)N(c1ccccc1)c1cccc(Cl)c1 16487928 SJHGQENPTILMQN-UHFFFAOYSA-N 407.753 7.182 0 40 HKAB CC(C)C(=O)N1CCCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19085674 ZZYIDIKQIXWKKX-NRFANRHFSA-N 419.504 5.131 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1Cl)N[C@H](c1ccccn1)C2 19550744 FJGYWSQXOZZCQI-AVRDEDQJSA-N 415.320 5.382 0 40 HKAB CC1(C)CC(=O)c2c(Nc3cccc(C(F)(F)F)c3)nn(-c3ccc(F)cc3)c2C1 20796675 XYFOHFCSZHUOBR-UHFFFAOYSA-N 417.406 5.929 0 40 HKAB O=C(O[C@@H](Nc1ccc(Br)cc1)c1ccccc1)C(Cl)(Cl)Cl 22002754 OEINILRWBXRSSN-CYBMUJFWSA-N 423.521 5.473 0 40 HKAB O=C(Nc1cccc(Br)c1)c1cccnc1Nc1cccc(Cl)c1 22072634 OMWQXOKXECCYNJ-UHFFFAOYSA-N 402.679 5.493 0 40 HKAB Fc1ccc(-c2cnc(CSc3nc(C(F)(F)F)nc4ccccc34)o2)cc1 22133214 UBTHNNSENRRRJQ-UHFFFAOYSA-N 405.376 5.735 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2ccccn2)no1 22463437 MZXUEEJXBFTALQ-UHFFFAOYSA-N 422.897 5.183 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)N(Cc3cccs3)c3cccc(Cl)c3)oc2c1 27993376 KSBRLLYWCWIRBF-UHFFFAOYSA-N 409.938 6.920 0 40 HKAB Brc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccncc2)cc1 28462639 WALXMDGBQSPMDS-TZIWHRDSSA-N 406.283 5.086 0 40 HKAB Cc1nc(C(C)C)sc1C(=O)Nc1ccnn1Cc1cccc(Cl)c1Cl 32924239 XVKXBHAJLHNNMO-UHFFFAOYSA-N 409.342 5.379 0 40 HKAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc3c(c(-c4ccncc4)c12)CCCC3 35326018 CHJUMVWVKDFNHA-UHFFFAOYSA-N 419.937 5.704 0 40 HKAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Sc1ccc(Cl)cc1 44880815 YBMZHOBBTAQELZ-IBGZPJMESA-N 404.963 5.379 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Cl)cc1 49004973 FLUUIXXAQNGHNB-SFHVURJKSA-N 408.933 5.740 0 40 HKAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@@H](c3ccccc3Cl)N1CC2 57731793 AUPYCRWVGHSIEF-DNQXCXABSA-N 406.913 5.429 0 40 HKAB Cc1ncc(CN(C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)s1 58147590 FEOVRJWBVIYMKY-UHFFFAOYSA-N 412.481 5.125 0 40 HKAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cc(C(F)(F)F)ccc1Cl 59364325 GMCKGQCOBDPNPS-UHFFFAOYSA-N 407.244 5.068 0 40 HKAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccccc3C(C)C)n2)cc1 67257750 DZQNYVCDOHHCGC-UHFFFAOYSA-N 407.539 5.315 0 40 HKAB CCc1cc2c(N3CCC4(CC3)C[C@H]4c3nnc(-c4ccccc4)o3)ncnc2s1 71889481 KARFXNOUERHYCV-SFHVURJKSA-N 417.538 5.078 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 72349672 YZQRMNCGUVRSFX-UHFFFAOYSA-N 409.533 5.102 0 40 HKAB Cc1cc(CCCC(=O)N2CCC[C@H]2c2ccc(Nc3ccccn3)cn2)ccc1F 72353203 BTSFVLNZPLDWJT-QHCPKHFHSA-N 418.516 5.354 0 40 HKAB Cc1ccc(Sc2oc(-c3ccc(C)cc3)nc2C(=O)N2CCC[C@@H](C)C2)cc1 72427759 FAAAVHRKEXKTKC-GOSISDBHSA-N 406.551 5.982 0 40 HKAB CCc1ccc(NCc2cc3ccc(OC)cc3n(Cc3ccc(C)cc3)c2=O)cc1 98212148 YPVNNZANTROZKA-UHFFFAOYSA-N 412.533 5.541 0 40 HKAB Cc1cccc(-n2c(-c3ccc(Cl)cc3)cs/c2=N\C(=O)c2ccccc2)c1C 100841009 PVAJCKRTZWUYOE-LCUIJRPUSA-N 418.949 6.217 0 40 HKAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102072836 PJDINQIMBNFNPC-MUUFFUEKSA-N 408.901 5.605 0 40 HKAB c1ccc([C@@H]2C3=C(c4ccccc4CC3)N3c4ccccc4O[C@@]34CCCC[C@H]24)cc1 102666468 SZOCNTHWLVFMCN-WOEHHYBBSA-N 405.541 6.927 0 40 HKAB CCOc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OCc1ccccc1Cl 139173663 CGDZQFCPCFVJIZ-BQYQJAHWSA-N 412.667 5.328 0 40 HKAB CC(=O)N1CCC[C@@H](Cc2cccc(Nc3ncc(-c4ccc(F)cc4)s3)n2)CC1 143351756 VIKLLSZAJAHRLE-QGZVFWFLSA-N 424.545 5.279 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)c1 224320081 RFBTYOSORSHQST-JWQCQUIFSA-N 424.573 5.666 0 40 HKAB CCCCNC(=O)c1ccc(OCC)c(COc2ccc(-c3ccccc3)cc2)c1 224550763 MCSNAVQIBFTSRA-UHFFFAOYSA-N 403.522 5.861 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1CSc1ccccc1 224654021 QFKYBGIOFNMECQ-UHFFFAOYSA-N 409.576 6.352 0 40 HKAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(OCCSc2ccccc2)cc1 224922891 LDYMNDNQKSYQAQ-UHFFFAOYSA-N 418.562 5.710 0 40 HKAB CCc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224959699 OYZGZZBDAMQYFT-UHFFFAOYSA-N 402.881 6.477 0 40 HKAB COC(=O)c1cc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)ccc1Cl 225505644 WXCSSKQAYJQCNI-NRFANRHFSA-N 424.953 5.511 0 40 HKAB CC[C@@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(C)c(C)c1 225712424 RPTJHUBUZMBOOL-JOCHJYFZSA-N 409.599 5.367 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2ccccc12 225776936 BBDDLTPPGQRCQG-SFHVURJKSA-N 421.512 5.843 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cnn(Cc2ccccc2)c1 225890003 WYFHABMDNLPLMA-UHFFFAOYSA-N 403.869 5.629 0 40 HKAB COc1c(Cl)cc(-c2nc3ccc(N(C)C(=O)C(F)(F)F)cc3o2)cc1Cl 226271919 JYCLIGCWHQIUDU-UHFFFAOYSA-N 419.186 5.335 0 40 HKAB O=C(CSCc1c(F)cccc1Cl)Nc1ccc(Br)c(Cl)c1 408546771 VMRHATHFOQRYCB-UHFFFAOYSA-N 423.134 5.767 0 40 HKAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 408563043 TVAGLLJVCICGPT-LCUIJRPUSA-N 406.595 6.200 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CSCc3cccc(Cl)c3)ccc21 408564171 SGWZIYXYTIERPV-UHFFFAOYSA-N 408.954 6.340 0 40 HKAB COc1cccc(CNC(=S)c2ccc(OCc3c(F)cccc3Cl)cc2)c1 408577260 SDCYXANVSCFAEN-UHFFFAOYSA-N 415.917 5.532 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(Cl)ccc3C)n2)c1 408697614 IPMCACMGVCPYTL-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccc(C)cc2)cc1 408699488 ULWCRZMMGLKKJG-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB CCOc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 408814678 PXIGGLFFQDTSOM-ZUZVBVLKSA-N 421.586 6.139 0 40 HKAB CCCc1sc(NC(=O)c2ccc(F)cc2)nc1-c1cc(OC)cc(OC)c1 408835047 VWURZASXHCPKTQ-UHFFFAOYSA-N 400.475 5.171 0 40 HKAB CC(C)N1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O 409054566 BYFNIDMTTPHVJO-ZDLGFXPLSA-N 422.333 6.017 0 40 HKAB O=C1N/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1C1CCCCC1 409080443 DITGMQVAFOQYNE-ZHZULCJRSA-N 410.901 5.144 0 40 HKAB CCCN1C(=O)S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C1=O 409133661 MDSOXXKMZVSVEI-QNGOZBTKSA-N 406.507 5.167 0 40 HKAB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/C(C)=C/c3ccccc3)C2=O)c1 409170703 WXASGOSCYAAGLA-RRRJGDELSA-N 424.547 5.030 0 40 HKAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1C 409189762 SKNPVOZGSJWCGF-DEDYPNTBSA-N 408.910 5.988 0 40 HKAB CC[n+]1c(C=C2C=Cc3c(c(C)n(-c4ccccc4)c3C)C=C2)sc2ccccc21 685944241 FZAGQKHOGUOXOM-UHFFFAOYSA-N 409.578 6.740 0 40 HKAB Nc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)sc2nc(-c3cccs3)ccc12 660323 YQHPESPGFXUNCD-UHFFFAOYSA-N 420.346 6.166 0 40 HKAB COc1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)c(C)c1 661689 LRUVOPRGODGOLS-UHFFFAOYSA-N 407.470 5.254 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 671538 GJAVZZOUBYDPQI-UHFFFAOYSA-N 402.494 5.497 0 40 HKAB Cc1cccc(-c2nnc(-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)o2)c1 693071 WEWLEHLJTQIKJA-UHFFFAOYSA-N 403.869 5.547 0 40 HKAB CCCc1nc2sc3c(N4CCC(C)CC4)ncnc3c2c2c1COC(C)(C)C2 1243516 HEPXYGFHVAXKID-UHFFFAOYSA-N 410.587 5.280 0 40 HKAB CCOc1ccc2[nH]c(=O)c(-c3nc4cccc(C)n4c3NC3CCCCC3)cc2c1 1330434 MGUVTXSOGDMEIF-UHFFFAOYSA-N 416.525 5.295 0 40 HKAB N=C(N)c1ccc2oc(/C=C/c3ccc(-c4cc5cc(C(=N)N)ccc5o4)cc3)cc2c1 1583610 UGAHVRIJHXSWLF-FPYGCLRLSA-N 420.472 5.585 0 40 HKAB O=c1c(SCc2ccc(Cl)cc2)c(N2CCCCC2)cnn1-c1ccccc1 1693191 AMTDPCMPXBJWNL-UHFFFAOYSA-N 411.958 5.169 0 40 HKAB CCCCc1nnc(NC(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)s1 1904390 BSLBRGHRHZBVEC-WYMLVPIESA-N 423.538 5.120 0 40 HKAB Cc1c(C)c(C)c(COc2ccc3c(C)c(CC(=O)O)c(=O)oc3c2C)c(C)c1C 2094393 YALFTHUYDYBKBE-UHFFFAOYSA-N 408.494 5.158 0 40 HKAB biogenic Cc1nn2c(Nc3ccc(Cl)c(Cl)c3)cc(C(C)C)nc2c1-c1ccccc1 2209920 QHKOESZIBQQALA-UHFFFAOYSA-N 411.336 6.879 0 40 HKAB CCC(CC)COC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc12 2386080 JWOOYWYWFNCOIR-UHFFFAOYSA-N 416.525 5.366 0 40 HKAB CCOC(=O)c1c(C)oc2cc(Br)c(OCc3cccc(OC)c3)cc12 2555580 NLRZEMXHAJEZGW-UHFFFAOYSA-N 419.271 5.268 0 40 HKAB biogenic C[C@H]1CCCC[C@@H]1n1c(SCC(=O)c2ccccc2F)nnc1-c1cccnc1 2622643 XNGHLBNZTFWSAM-KXBFYZLASA-N 410.518 5.205 0 40 HKAB COc1ccc(CCN(C)Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1OC 2633057 KCGHOHPPYMYYOS-UHFFFAOYSA-N 413.602 5.679 0 40 HKAB O=C(/C=C/c1cccs1)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 2658485 RKGHMHCQJRNGMR-CVTTXWKISA-N 406.938 5.844 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)/C=C/c2ccccc2)cc1 2721193 SZDUYGSTZNGCTM-DTQAZKPQSA-N 412.558 6.065 0 40 HKAB COc1ccc(CN[C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)cc1OC 3323180 PBIINHGUPRNGNJ-QHCPKHFHSA-N 424.928 5.135 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@H](Sc2ncnc3sccc23)c2ccccc2)c1 3353567 KOTATFQUAJTCBG-LJQANCHMSA-N 419.531 5.366 0 40 HKAB Cc1cccc(NC(=O)CSc2cn(Cc3ccc(F)cc3)c3ccccc23)c1C 3581535 DJBNJYRFPJOGFY-UHFFFAOYSA-N 418.537 6.176 0 40 HKAB CCOC(=O)N1CCN(CCCCCCOc2ccc(C3CCCCC3)cc2)CC1 4429337 CSNVOYNPHPLBAR-UHFFFAOYSA-N 416.606 5.448 0 40 HKAB O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1Cc1ccc(Cl)cc1Cl 4674944 UJWCKERYHIZANT-REZTVBANSA-N 403.290 5.711 0 40 HKAB CC(=O)n1nc(NCc2cccc3ccccc23)nc1NCc1cccc2ccccc12 4704918 XWZUXYKLSSYKJN-UHFFFAOYSA-N 421.504 5.469 0 40 HKAB c1ccc([C@H]2C3=C(c4ccccc4CC3)N3c4ccccc4O[C@]34CCCC[C@@H]24)cc1 4729853 SZOCNTHWLVFMCN-KMDNEMHUSA-N 405.541 6.927 0 40 HKAB Cc1cc(C)n2c(Nc3ccccc3)c(-c3cc(Br)ccc3O)nc2n1 4734207 OCVFCSJSCVIWOF-UHFFFAOYSA-N 409.287 5.225 0 40 HKAB Clc1ccc(-c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)c(Cl)c1 4776361 MOUTZEBLBQWFPG-UHFFFAOYSA-N 405.354 5.627 0 40 HKAB CC(C)(C)CC(=O)Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)oc2ccccc12 5106943 BKKCTQTUVCUCEY-UHFFFAOYSA-N 402.853 5.852 0 40 HKAB COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)c1 5216185 NIPVKDBKULGGJR-GMAHTHKFSA-N 408.860 5.730 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CCC(=O)[C@@]3(C)Br)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 5276675 HKZMXCLHDQFECZ-ZPMJRGBDSA-N 419.359 5.171 0 40 HKAB Cc1ccc(P(=Nc2cccc(C(F)(F)F)c2)(N2CCCC2)N2CCCC2)o1 5684597 JXOQCAYTGFKSBI-UHFFFAOYSA-N 411.408 5.787 0 40 HKAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cc(C(F)(F)F)ccc1Cl 6048540 LFMMYQPNHGUTNW-UHFFFAOYSA-N 415.839 5.057 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3cccc(SC)c3)c3ccccc3n2)cc1 6152587 ZZWMICYWMIEMNK-UHFFFAOYSA-N 400.503 5.885 0 40 HKAB C[C@H](NCc1ccccc1OCc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 6175364 BTTYENKYJUWTRW-ABVOBTCJSA-N 410.001 6.614 0 40 HKAB Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccn1 6962553 WLDHJWMVTNUADE-BOPFTXTBSA-N 410.399 5.054 0 40 HKAB C[C@@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)Nc1ccc(Cl)cc1F 7172654 UDGUUDSLCHKYLU-CYBMUJFWSA-N 413.832 5.036 0 40 HKAB CCCc1cc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)cc3)cs2)sc1C 7719042 JDFACPKJZGCUDQ-UHFFFAOYSA-N 413.568 5.021 0 40 HKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@H]2c2cccs2)cc1 8024968 PWTSIVGTYSSOPJ-OAQYLSRUSA-N 405.910 5.850 0 40 HKAB Cc1ccc(Nc2nnc(SCC(=O)N(C)[C@@H](C)c3ccccc3)s2)cc1C 8025895 MRZZHCZBZSYFRP-INIZCTEOSA-N 412.584 5.210 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)cc1C 8041593 WMKLKPLCPCKDTR-OAHLLOKOSA-N 412.382 5.427 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(C)cc4)cc3)nc2c1 8198150 ONYCELCNDRYNGI-SFHVURJKSA-N 414.505 6.334 0 40 HKAB COc1ccccc1-c1nnc(SCc2csc(Nc3ccc(C)cc3)n2)o1 8394542 PPWBILWZRJBWIQ-UHFFFAOYSA-N 410.524 5.546 0 40 HKAB O=C(c1ccccc1Br)n1c(SCc2ccccc2)nc2ccccc21 8442446 ZLJYQVRCCQRBMB-UHFFFAOYSA-N 423.335 5.780 0 40 HKAB Cc1c(Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c(=O)[nH]c2ccccc12 8882848 AGDUWJLJURSOSC-UHFFFAOYSA-N 413.506 5.062 0 40 HKAB CC[C@H](C)Oc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 8903725 VQWPYDZOIWVKIH-AWEZNQCLSA-N 412.511 5.291 0 40 HKAB COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)c(OC)c1 9306854 QDBWTYAMWBLHAQ-UHFFFAOYSA-N 418.449 5.087 0 40 HKAB COc1ccc(SCCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 10219592 JNAOZPXKSQMJLP-UHFFFAOYSA-N 420.559 6.093 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2SCc2ccccc2)c1 10337168 DKLWPKAUKBPCLR-UHFFFAOYSA-N 411.910 5.671 0 40 HKAB COc1cccc2cc(-c3csc(NC(=O)c4ccc(C(C)(C)C)cc4)n3)oc12 10748270 YIHCQEAWVVQYOU-UHFFFAOYSA-N 406.507 6.115 0 40 HKAB COc1ccc(NC(=O)c2ccccc2OCc2cn3cccc(C)c3n2)cc1Cl 11373995 NIODTBWRBQHLHW-UHFFFAOYSA-N 421.884 5.136 0 40 HKAB Cc1nc2c(ccc3nc(NC(=O)c4sc5ccccc5c4Cl)sc32)s1 11852351 MCOJZJZTHQHFOV-UHFFFAOYSA-N 415.952 6.335 0 40 HKAB CSc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 12194854 AUGWBHHCYWRYCK-UGKGYDQZSA-N 410.926 6.206 0 40 HKAB CC(C)Cn1c(-c2ccc(Cl)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1 12401546 FTYIAVNWQCUIKG-PLRJNAJWSA-N 410.892 6.777 0 40 HKAB Cc1ccc(Nc2nnc(SCC(=O)c3ccc(Br)cc3)s2)cc1 12524902 YXORNAFBVLAILL-UHFFFAOYSA-N 420.357 5.328 0 40 HKAB Cc1c(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)[nH]c2c1C(=O)CC(C)(C)C2 12599175 SKNYCDZXLHGMCD-INIZCTEOSA-N 407.539 5.065 0 40 HKAB COc1ccc(-c2nc3cc(OC)cc(OC)c3cc2-c2nc3ccccc3[nH]2)cc1 12600253 ABJXZFPVZIQHNL-UHFFFAOYSA-N 411.461 5.471 0 40 HKAB CC(=O)N(c1nc(COc2cccc(C(F)(F)F)c2)cs1)c1ccccc1F 12935837 UASMHQKRVVVWIL-UHFFFAOYSA-N 410.392 5.565 0 40 HKAB O=C(/C=C/c1csc(-c2ccc(Cl)cc2)n1)c1ccc(O)c(CCCl)c1 13007425 BVERFNXXWQPKEM-SOFGYWHQSA-N 404.318 5.847 0 40 HKAB C[C@@H]1CCN(C(=O)CN(C)C(c2ccccc2)c2ccccc2)c2ccccc2S1 13041080 VKYPBVJPOWPXTR-HXUWFJFHSA-N 416.590 5.625 0 40 HKAB CCn1c2ccccc2c2cc(/N=c3\cc(-c4cccs4)oc4ccccc34)ccc21 13729760 CWXHZRWNNUVAGY-XAYXJRQQSA-N 420.537 7.522 0 40 HKAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)COc4cccc(C)c4C)c3)nc2c1 13946185 GOMCEOFJYMVZMC-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1cc2ccccc2o1 16525735 RZYTWPPYBYTSGN-UHFFFAOYSA-N 423.255 6.800 0 40 HKAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 17088345 SBNMJEZPFUMHCL-KRWDZBQOSA-N 409.599 5.490 0 40 HKAB Cc1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 17088698 QHYJOUVBFYGRHS-PKNBQFBNSA-N 410.926 5.743 0 40 HKAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc(-c2cccs2)nc2ccccc12 17092756 QQPKHCSRFPQGJQ-UHFFFAOYSA-N 421.525 6.959 0 40 HKAB Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C2/C=C/c2ccccc2)cc1 19320307 FNXGPSIXFKQUCR-XNTDXEJSSA-N 423.387 6.351 0 40 HKAB COc1ccccc1-c1ccc(CN[C@H](Cc2ccsc2)c2nccs2)cc1 19571696 KJKLBWMTSHFBBI-OAQYLSRUSA-N 406.576 5.954 0 40 HKAB O=C1C2=C(CCCC2)[C@@H](OCCC2CCCCC2)N1CCc1ccc(Cl)cc1 20169465 HDYFNCRDTDAPRC-XMMPIXPASA-N 401.978 5.908 0 40 HKAB CC(C)c1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 20410980 ISULTJFCONVNSI-UHFFFAOYSA-N 405.479 5.517 0 40 HKAB Cc1ccc(C)c(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CC[C@H](C)C4)c1 23956959 RENDRTRRZQZLQY-INIZCTEOSA-N 423.582 5.057 0 40 HKAB CCc1sc(-c2nnc(CN3CCCC[C@H]3c3nc4ccccc4s3)o2)cc1C 23982906 WZXZNKQWOBTRJJ-INIZCTEOSA-N 424.595 6.006 0 40 HKAB CCCOc1cccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)c1 32127587 RIZGQSKJILUQAL-UHFFFAOYSA-N 422.484 6.689 0 40 HKAB O=C1/C(=C/C=C/c2ccccc2)S[C@@H](c2ccc(Cl)cc2)N1c1ccc(O)cc1 32597791 GYDGQRCPABKTDQ-QFVGWFHHSA-N 419.933 6.422 0 40 HKAB CSc1ccc(/C=C2/CCCCn3c2nc2sc4c(c2c3=O)CCCC4)cc1 33523967 LZLDZYSEOCLDGF-PEZBUJJGSA-N 408.592 5.783 0 40 HKAB CC(C)c1ccc(OCc2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cc1 33619290 ZVODDORFOPSDML-UHFFFAOYSA-N 409.338 6.371 0 40 HKAB Cc1cccc(N2C(=O)/C(=C/c3ccc(OC(F)F)cc3)c3ccccc3C2=O)c1 34701423 WRUTZGXAQVJCAG-KGENOOAVSA-N 405.400 5.324 0 40 HKAB Fc1ccc(Nc2nc(-c3ccc(-c4ccc(Br)cc4)o3)cs2)cc1 35079894 IAMVWJGLLPSBLL-UHFFFAOYSA-N 415.287 6.715 0 40 HKAB CC(=O)Nc1ccc(F)c(NC(=O)Cn2c(-c3ccccc3)cc3ccccc32)c1 40056974 DILRROQXKNBJIY-UHFFFAOYSA-N 401.441 5.045 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2scc(-c3cccc(F)c3)c2-n2cccc2)cc1 48991737 FBBJOOBKHQYXOA-UHFFFAOYSA-N 419.481 5.556 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cc(C)c(I)c(C)c2)cc1 57315660 LTKKWPKSUAHUMT-UHFFFAOYSA-N 423.294 5.339 0 40 HKAB Clc1ccc(COc2ccc([C@@H]3NN=C(c4ccccc4)S3)cc2)c(Cl)c1 59409061 KMZOHGHYTGVBRH-OAQYLSRUSA-N 415.345 6.269 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)c(Cl)c2)nc1 67296560 OPQGAOJEGXDIDM-ROMGYVFFSA-N 407.832 5.413 0 40 HKAB O=C(O)CCCCCCCCCCCCCCCCCCCCCBr 90627772 ILVUYVPCEAIZAN-UHFFFAOYSA-N 419.488 8.268 0 40 HKAB CCCOc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)c1 102879239 IUBLVRNQIHKOIU-RUZDIDTESA-N 418.537 6.288 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 106688371 DMHCULNRXTXGAI-VCRXTVNUSA-N 401.915 5.754 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)ccc21 108858519 LGDNQEAWHIVSPJ-BZSNNMDCSA-N 404.510 5.122 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)c5cccs5)CC[C@@]43C)[C@@H]1CCC2=O 118926626 RUXMZJKPKQJENT-ZYCZNCTCSA-N 400.584 5.885 0 40 HKAB CC[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(C)cc1C 219265920 WKTDVEKOWMCTKX-VWLOTQADSA-N 419.590 6.356 0 40 HKAB CC[C@@H](NC(=O)CCCN1C(=O)c2cccc3cccc1c23)c1ccc(C)cc1C 219473576 OREYQQQOJZSEJC-JOCHJYFZSA-N 400.522 5.465 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccccc1C 222834701 HBYYZLBSJSSKIF-YVUGPFRESA-N 404.535 5.095 0 40 HKAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1cccc(Cl)c1 224148326 UDUZJPYFIYAHFX-UHFFFAOYSA-N 413.926 5.902 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1c1ccccc1 224153220 IHATYTHPQSWRSN-IRXDYDNUSA-N 416.369 5.083 0 40 HKAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccc(C)c(C)c1 224295987 JIUUDZKSNKUMFW-UHFFFAOYSA-N 418.493 5.102 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Cl)cc3C)o2)c1 224899864 ZGPLOHWQAYLQPT-UHFFFAOYSA-N 418.880 6.231 0 40 HKAB Cc1cc(C)c(OCC(=O)O)c(-c2cc(-c3ccc(Cl)cc3)n(CC(C)C)n2)c1 257247718 JADXSEXXPGLHGO-UHFFFAOYSA-N 412.917 5.607 0 40 HKAB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 257348021 ARYTXMNEANMLMU-YSLYKJMBSA-N 402.707 7.715 0 40 HKAB COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc(Cl)c1OC(C)C 408634975 WAJGLTIVYWMGDC-YVLHZVERSA-N 419.886 5.495 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(Cl)cc2)cc1C 408700239 ZXTHXARTYVMGCY-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)CC1 408707122 HAMWCTWWPRANFM-WWDZGPRUSA-N 404.982 5.113 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@H](c2ccccc2)N3)cc1 409136916 UAFNHTZVETZYOY-SURISGSSSA-N 408.545 6.544 0 40 HKAB Cc1ccnc(-c2cccc(NC(=O)c3ccc(C)c(NC(=O)c4ccccc4)c3)c2)n1 604254251 QYFFFVGSMQVBOE-UHFFFAOYSA-N 422.488 5.265 0 40 HKAB COc1ccc(Cc2nnc(NC(=O)c3sc4ccccc4c3Cl)s2)cc1 795387 JEGVAAPCZIENIM-UHFFFAOYSA-N 415.927 5.258 0 40 HKAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C(C)(C)C)CC4)c1 944542 MBZNDJBKZOWREV-QGZVFWFLSA-N 411.567 6.001 0 40 HKAB O=C(Nc1cccnc1)c1cc(Br)ccc1OCc1ccccc1Cl 1102676 SANMNLWWCYVPQC-UHFFFAOYSA-N 417.690 5.329 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc(OCc3ccccc3)c(Cl)cc2Cl)cc1 1392330 RTEYDDPWYSCNBQ-UHFFFAOYSA-N 422.333 5.682 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)N(Cc1ccccc1)c1ccccc1 1738326 MFTJQHBHVMCXIS-UHFFFAOYSA-N 404.819 6.598 0 40 HKAB CCc1cc(I)ccc1NC(=O)c1ccc(C(C)(C)C)cc1 1863076 DBASRYONCKFILM-UHFFFAOYSA-N 407.295 5.403 0 40 HKAB CC(C)CN(CC(C)C)C(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2 1933567 GUAUNQATGHIWBW-UHFFFAOYSA-N 412.599 5.633 0 40 HKAB O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccco1 2062669 NJITYYKVEHVVBU-UHFFFAOYSA-N 417.646 5.756 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3)sc2c1 2071681 BPWRQDFULGAOAK-UHFFFAOYSA-N 413.329 6.831 0 40 HKAB CCOC(=S)SCC(=O)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 2141331 VWBXVVCEWXSIBS-UHFFFAOYSA-N 420.625 5.851 0 40 HKAB CCOc1ccc(-n2nc3c(=S)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)cc1 2181173 SCWYWPXSVQPUBK-UHFFFAOYSA-N 424.529 6.211 0 40 HKAB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(C)c(F)c4)c23)cc1 2195777 KQAGVNAIFBGDFM-UHFFFAOYSA-N 423.538 5.845 0 40 HKAB CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1 2260880 LJVLRZWQCUSANA-RUZDIDTESA-N 407.916 6.614 0 40 HKAB CCCCc1nc2sc3c(N4CCCCC4)ncnc3c2c2c1COC(C)(C)C2 2274793 KMBDBUDOOUSHMO-UHFFFAOYSA-N 410.587 5.424 0 40 HKAB COc1ccc(N2N=C(C(C)=O)N(c3ccccc3C)[C@@H]2c2c[nH]c3ccccc23)cc1 2297747 KBUCURXYIOHXBM-SANMLTNESA-N 424.504 5.413 0 40 HKAB CC(C)Cc1csc(C(=O)Nc2ccccc2)c1C(=O)Nc1ccc(Cl)cc1 2359102 XWPBLBGRPJSMER-UHFFFAOYSA-N 412.942 6.105 0 40 HKAB Cc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)cc1 2714289 WRKPKJQSDGXOFI-UHFFFAOYSA-N 404.517 6.316 0 40 HKAB CC(=O)c1cccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3)nc3ccccc23)c1 2738916 YLDRNTGYGQALKK-UHFFFAOYSA-N 414.892 6.319 0 40 HKAB CCOC(=O)c1c(C)n(CC)c2ccc(OC(=O)Nc3ccc(Cl)cc3)cc12 3177422 HYFVHTQICFQKRV-UHFFFAOYSA-N 400.862 5.411 0 40 HKAB CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)cc1)c1ccccc12 3218681 FJSWHMBIQJDEFM-UHFFFAOYSA-N 423.490 5.180 0 40 HKAB CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 3238627 BQDRIKFUBWAGMM-UHFFFAOYSA-N 423.597 6.202 0 40 HKAB COc1cc(/C=C/C(=O)Nc2ccccc2Oc2ccccc2)cc(OC)c1OC 3262493 ANLKEYLYCCQHHE-BUHFOSPRSA-N 405.450 5.157 0 40 HKAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 3655474 BRQZKLNHFBPEPV-OAHLLOKOSA-N 403.409 5.209 0 40 HKAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3cccc(Br)c3)n2)cc1 4071997 NSOHPXKNJKPNHC-UHFFFAOYSA-N 415.356 6.122 0 40 HKAB COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 4079596 JACJSTCCYVUYDL-UHFFFAOYSA-N 407.278 5.156 0 40 HKAB O=C(CSCc1ccccc1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 4550578 VPQBRDNQCHZTSR-UHFFFAOYSA-N 401.491 5.276 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1cc(-c2cccs2)on1 4881140 UBZSGXXWAVWPMW-UHFFFAOYSA-N 412.902 5.170 0 40 HKAB CCc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(F)c(Cl)c4)c3c2c1 4969978 BNMGALLCUAHGJC-UHFFFAOYSA-N 401.872 6.596 0 40 HKAB Cc1ccc2c(c1)c1nnc(-c3ccc4c(c3)OCO4)c-1cn2Cc1ccc(F)cc1 5028614 ZTPABWOFRROQDC-UHFFFAOYSA-N 411.436 5.428 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NCCC(c1ccccc1)c1ccccc1)[C@H]2C(=O)O 5094738 DHJHVSUPQKWXTJ-AICRDVKUSA-N 417.549 5.018 0 40 HKAB O=C(Nc1cc(Cl)ccc1N1CCCC1)c1cc(C2CC2)nn1-c1ccccc1 6653755 LWWHZNQYWLYBSP-UHFFFAOYSA-N 406.917 5.256 0 40 HKAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N1c2ccccc2C[C@H]1C 7160790 LDBZPIOGYLBXSC-OLZOCXBDSA-N 417.456 5.107 0 40 HKAB CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OCc1cccs1 7364508 JNTYDSBKYUEIGF-HSZRJFAPSA-N 420.534 5.455 0 40 HKAB C[C@H]1C[C@H](Sc2nnc(Cc3cccc4ccccc34)n2C2CCCCC2)C(=O)O1 8271392 XKWNSJOLWPSQEY-KKSFZXQISA-N 421.566 5.323 0 40 HKAB COc1cccc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c1OCc1ccc(F)cc1 8534548 BMLNMRUFSZRNGC-WXIHSGNDSA-N 423.572 6.252 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1c1ccccc1F 8753209 DWBSKQKOCPEUQQ-KRWDZBQOSA-N 419.887 5.398 0 40 HKAB O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)C1=Cc2ccccc2OC1 8753716 YXBSTZIONAOSFE-UHFFFAOYSA-N 417.317 5.455 0 40 HKAB O=C1S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1Cc1ccccc1 9233775 ADOAQPLBVQUGHN-HYARGMPZSA-N 419.477 5.641 0 40 HKAB O=C(OCc1cc(Br)cc2c1O[C@@H](c1ccccc1)OC2)c1ccco1 9393457 SZUFNTVMRSXCRM-FQEVSTJZSA-N 415.239 5.007 0 40 HKAB O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)Nc1cc(F)ccc1F 9398178 WZPVQFZJAGPKSP-UHFFFAOYSA-N 416.232 5.282 0 40 HKAB Brc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)s1 9593090 YLASXUIRBMWQIW-ACJLOTCBSA-N 417.353 5.814 0 40 HKAB O=C(CCCSc1nc2ccccc2[nH]1)N1CCC[C@H]1c1nc2ccccc2s1 9635244 KRLUDMPJRJKQRB-SFHVURJKSA-N 422.579 5.409 0 40 HKAB Cc1ccccc1-n1ccnc1SCC(=O)Nc1c(Cl)ccc(C)c1Cl 12603539 BRYXQQKBRFYNPF-UHFFFAOYSA-N 406.338 5.527 0 40 HKAB CCn1c(S[C@H]2CCCCCC2=O)nc2scc(-c3cccs3)c2c1=O 12931153 XZQWQHLEWFGCNK-HNNXBMFYSA-N 404.582 5.200 0 40 HKAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2cc3ccccc3nc2Cl)o1 12979050 AIZMLOLVGFNZLO-LBPRGKRZSA-N 415.877 5.843 0 40 HKAB O=C(NCc1cccnc1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 13004856 MPQLZJFXBSWJKW-UHFFFAOYSA-N 408.288 5.534 0 40 HKAB CN(C)[C@@H](CNc1nc(-c2cccnc2)nc2ccccc12)c1ccccc1Cl 13099069 ANQIUXIPGPLQQO-NRFANRHFSA-N 403.917 5.060 0 40 HKAB Cc1cccc(OCCCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1 13566141 VQDKJHUNHSVGHB-FQEVSTJZSA-N 419.569 5.318 0 40 HKAB Fc1ccc(CSc2nnc3c4ccccc4n(CCc4ccccc4)c3n2)cc1 13942885 LNCTVUFJERGNKU-UHFFFAOYSA-N 414.509 5.654 0 40 HKAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)CCCC3)c(C)n1CCc1ccccc1 14129681 VJJJOVKWMUNFSM-UHFFFAOYSA-N 415.533 5.266 0 40 HKAB COC(=O)c1ccc(COC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)o1 14358198 HSBYHZWIKSWEBZ-GBXBDOIYSA-N 422.521 5.264 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccccc4)oc3c2)c1 16993266 UUCFTUUCVPGXFP-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB biogenic Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(F)cc3)o2)cc1Cl 17090140 JTEQBYBMHARPRP-PKNBQFBNSA-N 414.889 5.574 0 40 HKAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(Cl)cc2)c1 17247412 LZRWUQAQHFXHPQ-UHFFFAOYSA-N 424.913 5.136 0 40 HKAB O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(Cl)c3)CC[C@@H]21 19293420 JIEPCZMWFHNYKV-FKBYEOEOSA-N 415.002 5.018 0 40 HKAB O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(CCc1ccccc1)CO3 19882454 CPAFPTRETJZBRB-UHFFFAOYSA-N 417.892 5.508 0 40 HKAB CCSc1ccccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 20486211 LIIOABHGBVMDAW-UHFFFAOYSA-N 409.576 6.222 0 40 HKAB COc1ccc([C@H]2SCC(O)=Nc3n[nH]cc32)cc1OCc1cccc(Cl)c1 20744661 ZVWPHNUWCRQXCP-LJQANCHMSA-N 415.902 5.075 0 40 HKAB Cc1cccc(C(=O)Nc2c(C(=O)NCCC3=CCCCC3)[nH]c3ccc(C)cc23)c1 21362135 HSYGEBAVSOGTJG-UHFFFAOYSA-N 415.537 5.657 0 40 HKAB CCOc1ccc(NC(=O)c2sc(COc3ccc(C(C)(C)C)cc3)nc2C)cc1 27912750 GPJAHGDEEZRTGM-UHFFFAOYSA-N 424.566 5.979 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1 33362774 UWPIPUBBMMZZGM-UHFFFAOYSA-N 421.884 5.974 0 40 HKAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc(-c2ccc(F)cc2)o1 39975522 KJHBGIJINFCLBF-UHFFFAOYSA-N 405.429 5.187 0 40 HKAB Cc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3)=NC23CCCCCC3)cc1 45932775 MSZHWRQRZHAPNG-UHFFFAOYSA-N 410.970 5.971 0 40 HKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3cccc(Br)c3)c2c1 46085577 TWTLTCAXVZMCIV-UHFFFAOYSA-N 402.288 5.935 0 40 HKAB O=c1c2ccccc2nc(SCc2ccc(F)cc2Cl)n1Cc1cccs1 67259530 RWDMWQOKMXYFMT-UHFFFAOYSA-N 416.930 5.591 0 40 HKAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2cc(C)cc(C)c2)nc1 67295155 LULJTIQVOVSGLI-PNHLSOANSA-N 417.896 5.891 0 40 HKAB FC(F)(F)Oc1ccc(NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1 71761670 JAJZXPASZBJNET-UHFFFAOYSA-N 414.758 6.066 0 40 HKAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72214714 BMTOVFCWAWSMCZ-NRFANRHFSA-N 423.557 5.601 0 40 HKAB Cc1cccc(OCc2nc3ccccc3n2C[C@H](O)COc2ccccc2Cl)c1 82086794 KZEGUKXGELOXDW-SFHVURJKSA-N 422.912 5.017 0 40 HKAB CCc1nc(C)c2c(C)c(C(=O)N(C)[C@@H](C)c3sc(C(C)C)nc3C)sc2n1 89289890 LNJBRTLLHQELSJ-AWEZNQCLSA-N 416.616 5.592 0 40 HKAB Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C(=O)N(C)C)cc1C 96037374 DBZDNZZCCPRXKH-UHFFFAOYSA-N 416.525 5.576 0 40 HKAB COC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 100017095 YMEYKMXIYVMIEW-XEHFDHBKSA-N 402.321 6.077 0 40 HKAB CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@H]1c1ccccc1 100429288 UXMSOTAOHFGXBS-KDYSTLNUSA-N 408.501 6.257 0 40 HKAB Cc1nn(-c2ccccc2)c(NC(=O)c2cccs2)c(-c2ccccc2Cl)c1=O 100593775 JSSHWHHEDBYRRW-UHFFFAOYSA-N 421.909 5.175 0 40 HKAB CC1=C(C(=S)Nc2ccccc2)[C@@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1C 100857992 XAIIJUORSVCOAU-QGZVFWFLSA-N 405.445 5.115 0 40 HKAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@@H](c4cccc(Cl)c4)C3=C(O)C2)cc1 102658948 TYTZQQUGMPFUTQ-BTYIYWSLSA-N 406.873 5.005 0 40 HKAB Cc1ccc([C@@H]2CC3=Nc4nc5ccccc5n4[C@@H](c4cccs4)C3=C(O)C2)cc1 102668962 BSEPXSIDYYHJIY-OSPHWJPCSA-N 411.530 6.471 0 40 HKAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccccc1-c1cn2ccccc2n1 206897735 BMRSTQQWEGQEQD-UHFFFAOYSA-N 411.383 5.038 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)cc2)cc1 222658569 UAYRHHSBUGPNRL-SFHVURJKSA-N 419.546 5.550 0 40 HKAB O=S(=O)(Nc1cccc(OCCc2ccccc2)c1)c1ccc2ccccc2c1 223652320 UMBJIBHGVQYUJB-UHFFFAOYSA-N 403.503 5.262 0 40 HKAB COc1cccc(NC(=O)c2ccc(OC)c(COc3cccc4ccccc34)c2)c1 224303112 RBICGWDJSZTMNV-UHFFFAOYSA-N 413.473 5.688 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1cccc(OC(C)C)c1 225044251 ATNPIVOUVMPSPT-RUZDIDTESA-N 409.570 5.259 0 40 HKAB CCc1ccc(O[C@H](CC)C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 225175885 OKZSUMYTJZIKSU-GOSISDBHSA-N 413.568 5.189 0 40 HKAB S=C(NCCCc1ccccc1Cl)Nc1ccc(Br)c(Cl)c1 225540864 CEZGNICMPVNLJR-UHFFFAOYSA-N 418.187 5.675 0 40 HKAB COc1ccccc1CCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225550091 KKSQUWYGRIGDOZ-UHFFFAOYSA-N 402.869 5.287 0 40 HKAB Cc1cc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)ccc1F 225607660 AIROYYAJWJRCEU-UHFFFAOYSA-N 421.946 5.881 0 40 HKAB CCOC(=O)c1cc(NC(=S)NC[C@@H](CC)Cc2ccccc2)ccc1Cl 225632791 HCCDDNOVVLOLHH-HNNXBMFYSA-N 404.963 5.072 0 40 HKAB CCN(C(=O)C(F)(F)F)c1cc(C)c2oc(-c3cc(Cl)ccc3Cl)nc2c1 226282965 MAOYAAHCOLSTJI-UHFFFAOYSA-N 417.214 6.025 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3C)n2)cc1C 408696093 WBEKVBNXWWIDQM-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2cccc(C)c2)cc1 408699149 RNUXSFZRLHSVDF-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CCCc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc(C)cc1 408825377 JQPKXYWZXFRZOM-UHFFFAOYSA-N 415.356 6.086 0 40 HKAB Cc1ccc2c(Cl)c(C3=N/C(=C\c4ccc(Cl)c(Cl)c4)C(=O)O3)sc2c1 408969134 HXQRBZQSOZSION-ZSOIEALJSA-N 422.720 6.514 0 40 HKAB COc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 409115728 KAJNZOZJKBQISZ-UHFFFAOYSA-N 416.348 6.810 0 40 HKAB CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)c2ccccc21 409118023 ORHWWHKANIJMBZ-HAHDFKILSA-N 417.936 6.462 0 40 HKAB CCOc1cc(Cl)c(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OCC 409129028 JTCDGRQHKATAIA-YBFXNURJSA-N 423.962 5.754 0 40 HKAB CCOc1cc(CNc2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409259036 XDNJTBVQXWKXBP-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB Fc1ccccc1-c1nnc([C@@H]2CCCN(Cc3csc(C4CC4)n3)C2)s1 1888920833 GDQSXKRYKMBFHS-CQSZACIVSA-N 400.548 5.058 0 40 HKAB Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(N3CCc4ccccc4C3)n2)cc1 1456150 MWKDGTQTIAUTGP-UHFFFAOYSA-N 422.536 5.538 0 40 HKAB O=C(Nc1cc(NC(=O)c2cccc(Cl)c2Cl)ccc1Cl)c1ccccc1 1499570 CNKWWRNMKTTWFC-UHFFFAOYSA-N 419.695 6.151 0 40 HKAB Cc1cccc(Oc2coc3cc(O[C@@H](C)C(=O)OCCC(C)C)ccc3c2=O)c1 1769975 OKIAHRKMCJOOEW-KRWDZBQOSA-N 410.466 5.250 0 40 HKAB biogenic COc1ccc([C@H](CCNC(=O)C[C@H](Cc2ccccc2)c2ccco2)C(C)C)cc1 2092472 MIXSEIOQJWDTQT-UKILVPOCSA-N 419.565 5.951 0 40 HKAB biogenic CCN(CC)c1ccc2cc(-c3nc(-c4cccc(OC)c4)cs3)c(=O)oc2c1 2199687 MJVQGHIUURYJQC-UHFFFAOYSA-N 406.507 5.438 0 40 HKAB COc1ccc([C@@]2(C)CC(C)(C)N(C(=O)/C=C/c3ccccc3)c3ccccc32)cc1 2294818 OUEQBCWKRBFLRA-CTCDTRPASA-N 411.545 6.230 0 40 HKAB CC(C)(C)c1ccc(-c2nc3c4cnn(-c5cccc(Cl)c5)c4ncn3n2)cc1 2413194 BKEAKMJIGDVSMD-UHFFFAOYSA-N 402.889 5.081 0 40 HKAB CC(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccc(Cl)cc4)nc3C2)cc1 2428399 BSUJEONOJKHZAW-GOSISDBHSA-N 419.912 5.418 0 40 HKAB Cc1ccc([C@H](C)NCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2730387 YTNCEMCEWPYBEM-ZDUSSCGKSA-N 420.365 5.715 0 40 HKAB COc1ccc(-c2cc(=O)c3cc(OCc4c(F)cccc4Cl)ccc3o2)cc1 2886916 XNRNXHFRYNLYIH-UHFFFAOYSA-N 410.828 5.840 0 40 HKAB Cc1cccc(C)c1NCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 2887578 JMLNNINHULZBHS-UHFFFAOYSA-N 420.365 5.708 0 40 HKAB CCOC(=O)N[C@H]1Cc2ccccc2[C@@H]1Sc1ncc(C(F)(F)F)cc1Cl 3048230 MWSJHMRNHUOSGT-GJZGRUSLSA-N 416.852 5.258 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)OCc3ccc(F)cc3)cc12 3330619 LJMHLQCNNCEDRV-UHFFFAOYSA-N 414.889 5.604 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2ccccc2F)cc1 3655469 CNKHRLIIPWQRJS-MRXNPFEDSA-N 417.436 5.517 0 40 HKAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@H]4CCCC[C@@H]4Cc4ccco4)[C@H]3C=C12 4028645 YEXCLAFCAHCLGV-DUNDMGMKSA-N 411.586 5.285 0 40 HKAB biogenic CCCCC1CCC(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)CC1 4063068 TVGAORFPFBWFHB-UHFFFAOYSA-N 407.583 6.602 0 40 HKAB CC(C)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 4812312 RNFZNORCPIBXNF-YTMVLYRLSA-N 418.540 7.206 0 40 HKAB CCCCCC1CCC(C2CCC(OCc3ccc(OC(F)F)cc3)CC2)CC1 4837594 BWUZBVKYVJDYPB-UHFFFAOYSA-N 408.573 7.750 0 40 HKAB O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1nc(-c2ccccc2)cs1 4932715 HKFHXESNWWUYHP-UHFFFAOYSA-N 404.491 5.453 0 40 HKAB CC(C)c1ccc(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1 5446805 LGQOKLVRSWOHBM-UHFFFAOYSA-N 401.446 7.527 0 40 HKAB C[C@@H](OC(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1-c1ccccc1 5531199 YWGALABPKUIILJ-CQSZACIVSA-N 414.288 5.844 0 40 HKAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)/C=C/c2cccs2)c2ccccc21 6614937 INCGLWCGFOPISF-BUHFOSPRSA-N 401.487 5.346 0 40 HKAB Brc1ccc(C2=NN3[C@H](c4ccncc4)Oc4ccccc4[C@H]3C2)cc1 6644363 WALXMDGBQSPMDS-CTNGQTDRSA-N 406.283 5.086 0 40 HKAB COc1ccc(C(=O)CN(C2=NCCCCC2)c2cccc(C(F)(F)F)c2)cc1 7275430 ZMZRVLDUAHLYGG-UHFFFAOYSA-N 404.432 5.376 0 40 HKAB COc1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1Cl 7700271 PLUKHNNUUBXAJI-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB O=C(CCCc1c[nH]c2ccccc12)N1CCc2sccc2[C@@H]1c1cccs1 8393032 XHJZCIDNTVZMCA-HSZRJFAPSA-N 406.576 5.788 0 40 HKAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)NCCc3ccc(Cl)cc3)c(C)c12 8612940 QOYUKBHYGLPHSE-UHFFFAOYSA-N 423.896 5.019 0 40 HKAB C[S@](=O)c1ccccc1-c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 8773025 PSEILGFONRWDBD-MUUNZHRXSA-N 420.334 5.179 0 40 HKAB COc1ccc(-c2nnc([C@H](C)N3CCCCC[C@@H]3c3ccc(OC)cc3)o2)cc1 8920732 UMCNQFZUFPNORF-HTAPYJJXSA-N 407.514 5.432 0 40 HKAB COc1ccc(NC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)c(OC)c1 9586263 DCENEIXVZOHZFW-UHFFFAOYSA-N 423.321 5.315 0 40 HKAB Cc1ccc(-c2csc3ncnc(SCC(=O)N(C)Cc4ccc(C)o4)c23)cc1 9748876 HFSSSGHTDCVEAP-UHFFFAOYSA-N 423.563 5.319 0 40 HKAB CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)Cc1c(F)cccc1Cl 9949211 DTSFOIAFIPAZTH-UHFFFAOYSA-N 422.287 5.162 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)cc1 10128885 MNFLKZQRSQJLHL-UHFFFAOYSA-N 413.473 5.348 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1ccc(-c2csc(C)n2)cc1 12562330 YHATVZCKRCKOPC-LBPRGKRZSA-N 401.919 5.220 0 40 HKAB COc1ccc2cc(/C=C/C(=O)N(C)Cc3ccccc3N3CCCC3)ccc2c1 12584550 ALCWMXDNWJVNFB-GXDHUFHOSA-N 400.522 5.120 0 40 HKAB CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C/c2nc3ccccc3s2)cs1 12745448 UOLYLJYIGUXCAY-MDZDMXLPSA-N 411.939 6.261 0 40 HKAB O=C1OC(c2ccccc2)=N/C1=C/c1cccc(OCCOc2ccccc2Cl)c1 13940747 JIKAJJBFTJEJCI-LTGZKZEYSA-N 419.864 5.142 0 40 HKAB COc1ccc(C(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1Cl 13955089 RKERZYTZDYMFSN-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB COc1ccc(-c2nnc3sc(-c4ccc(-c5ccccc5)cc4)nn23)cc1OC 13956927 PAPFGADYYYCSGH-UHFFFAOYSA-N 414.490 5.204 0 40 HKAB CCOc1ccc([C@H]2CCCN2Cn2[nH]c(/C=C/c3ccc(C)o3)nc2=S)cc1 14189475 RFAFYUSGMDGQMC-DRUFCSCSSA-N 410.543 5.206 0 40 HKAB Cc1ccc(C(=O)Nc2c(C)c(Br)c(O)c(Br)c2C)cc1 16807770 NGRNBUAJFGYWMM-UHFFFAOYSA-N 413.109 5.095 0 40 HKAB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)NC(=S)NC1CCCC1 17088189 QNWDJPVCMLWSJA-PKNBQFBNSA-N 409.338 5.200 0 40 HKAB COc1ccccc1-c1nn(Cc2cccc(F)c2)c(-c2ccccc2OC)c1Cl 17093315 WIROYDUELWXRGN-UHFFFAOYSA-N 422.887 6.075 0 40 HKAB C[C@H]1C[C@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)Cc1ccccc1 17094051 IEFDTMLPNKVZHH-FNZWTVRRSA-N 424.544 5.539 0 40 HKAB Cc1ccc(C)c([C@@H](NC(=O)C[C@@H](C)n2nc(C)c(Cl)c2C)c2ccncc2)c1 19132201 GEWSFMRZMMIORZ-MWTRTKDXSA-N 410.949 5.022 0 40 HKAB COc1ccc(CN(C)C(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 20044244 NILZUWOJCWLENK-UHFFFAOYSA-N 407.535 5.139 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)COc4cccc(C)c4C)ccc3o2)c1 21579453 RUTKGEAWFBGURR-UHFFFAOYSA-N 402.450 5.138 0 40 HKAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)Nc1cccc(Cl)c1 22907668 AVCPNPDCRJGJEB-FQEVSTJZSA-N 411.958 5.323 0 40 HKAB CCOc1ccc(-c2cc3c(SCc4ccc(C)cc4)nccn3n2)cc1Cl 23126601 BYEWBIPWCHEZJU-UHFFFAOYSA-N 409.942 6.049 0 40 HKAB O=C(Nc1ccnn1Cc1ccccc1Cl)c1sc2ccccc2c1Cl 23272561 GPIGMIHBSYYPDA-UHFFFAOYSA-N 402.306 5.705 0 40 HKAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cc(Cl)sc1Cl 27638979 CKYRDUYLZURYNW-UHFFFAOYSA-N 421.353 5.601 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 30869346 YIASZIYDILTZJP-LJQANCHMSA-N 409.382 5.213 0 40 HKAB COc1ccccc1C(=O)Nc1ccc(OCc2coc(-c3ccc(F)cc3)n2)cc1 32909110 GAMBCYROXARLFH-UHFFFAOYSA-N 418.424 5.321 0 40 HKAB O=C(COc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)Nc1ccccc1Cl 33327325 PEDUGUUFMCINEY-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Br)c(Cl)c1 38756555 DOLJSHFIKGGXPU-AWEZNQCLSA-N 403.103 5.552 0 40 HKAB Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38849614 GXRWVSSYQIQLMK-HNNXBMFYSA-N 411.760 5.806 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)C1CCN(Cc2ccccc2Cl)CC1 39761791 JTFSXEJIPZFKPZ-UHFFFAOYSA-N 418.968 5.458 0 40 HKAB CCOc1ccc2nc(S[C@H](C(=O)NC3CCCC3)c3ccccc3)sc2c1 40487545 LFHSTCLMZABLJX-FQEVSTJZSA-N 412.580 5.587 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(C)c1 49005157 CDQACNVPNTVKTG-GOSISDBHSA-N 406.505 5.534 0 40 HKAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N(Cc1ccccc1)Cc1ccccc1 53267153 SAMNNEQMCKKTMT-UHFFFAOYSA-N 415.468 5.037 0 40 HKAB O=c1[nH]c(-c2ccnc(Cl)c2)nc2ccc(-c3cccc(C(F)(F)F)c3)cc12 63837470 HGVXPDPQQIWCTK-UHFFFAOYSA-N 401.775 5.324 0 40 HKAB O=[S@@]1CC[C@@H](Nc2nc(-c3cccs3)nc3scc(-c4ccccc4)c23)C1 78967893 DFMKRJUPISCLJX-ASHKIFAZSA-N 411.577 5.020 0 40 HKAB CCN(Cc1ccccc1)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1CCOC 96037304 FPPDYHRBINEYHD-UHFFFAOYSA-N 417.553 5.486 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1cc(C2CC2)n(C2CCCC2)n1 96104090 VIUUXHVOKKUONV-UHFFFAOYSA-N 401.938 5.003 0 40 HKAB O=c1c2ccccc2c(-c2nc(-c3cccc(Cl)c3)no2)cn1-c1ccc(F)cc1 96324379 QAGKCOLSBGVHDC-UHFFFAOYSA-N 417.827 5.500 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2ccc(Cl)cc2)cc1OCC 107681321 DZOWSDJBFPAEDH-UHFFFAOYSA-N 412.711 5.542 0 40 HKAB CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223337946 PLTCYBZIUSLGHV-VWLOTQADSA-N 404.554 5.173 0 40 HKAB CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 224460811 DZHAWXSJYBYTIH-UXHICEINSA-N 410.974 5.469 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(CN2CCCC2)c1 224636170 CQUIDAGHUCGUFO-XMMPIXPASA-N 408.586 5.054 0 40 HKAB CC[C@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(C)cc1 225483461 WNMMZBDDTDFJOX-QHCPKHFHSA-N 406.620 6.725 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)c(C)c1 225519613 JCMDBTIDGKTXGY-UHFFFAOYSA-N 404.535 5.248 0 40 HKAB CN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 225528755 FXCCBPJNJXGJED-UHFFFAOYSA-N 421.368 5.384 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)CC(C)(C)O2 225681694 IIPHHCAMZBSACC-INIZCTEOSA-N 410.461 5.303 0 40 HKAB Clc1ccc(I)cc1-c1nc2cc(-n3cccc3)ccc2o1 226248072 HSJPIKVIFWYPDT-UHFFFAOYSA-N 420.637 5.544 0 40 HKAB O=c1c2[nH]cc(-c3ccccc3)c2nc(SCc2ccccc2)n1-c1ccccc1 245026617 NDHODTSGWCAPMJ-UHFFFAOYSA-N 409.514 5.673 0 40 HKAB CC(C)(C)OC(=O)N1CCC[C@@H](c2n[nH]cc2-c2ccc(CN3CCCCC3)cc2)C1 257304070 SJYCAEIBBFHZTE-OAQYLSRUSA-N 424.589 5.177 0 40 HKAB Cc1ccc(CC(=O)N2CCC[C@@H](c3ccc(Cc4cccc(F)c4)cn3)C2)cc1C 257338833 YZCRLJFZQNGFIQ-XMMPIXPASA-N 416.540 5.377 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260816911 SADJLLNGLYXYGC-BWKNWUBXSA-N 418.622 5.644 0 40 HKAB CCOc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)cc1 409111651 BIPIRUDMEQVBBU-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB Clc1ccccc1COc1cccc(CNc2ccc(Oc3ccccc3)cc2)c1 409122344 YFBSBZKITRULKS-UHFFFAOYSA-N 415.920 7.323 0 40 HKAB CC(C)n1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c2ccccc21 409125012 IPOOWYUYDRDSQB-PXLXIMEGSA-N 404.535 5.891 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H]1c1cccc(Cc2ccc(F)cc2)n1 1848355122 HZYMTUIQPIKTDC-VWLOTQADSA-N 413.496 5.199 0 40 HKAB CC1=C(CC[C@@]2(C)OC(=O)N(C3CC(C)(C)NC(C)(C)C3)[C@]2(C)O)C(C)(C)CCC1 710749 YTLQRXDKKVFHPU-JWQCQUIFSA-N 420.638 5.522 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1c2ccc(F)cc2CC[C@@H]1C 996283 HJVXFTMOZTYNKD-NSHDSACASA-N 419.283 6.077 0 40 HKAB CCc1ccc(-c2cc(C(=O)N3CCCC3)c3cc(Br)ccc3n2)cc1 1002866 ARAOAADRNHQIPA-UHFFFAOYSA-N 409.327 5.463 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2Cl)cc1 1006651 FATJVMGTNZHQDO-UHFFFAOYSA-N 400.906 5.054 0 40 HKAB COc1ccccc1[C@H](CCN[C@@H](C)c1ccccc1)c1ccc(OC(C)C)cc1 1783184 QMIIQMXGYVQMID-SQJMNOBHSA-N 403.566 6.355 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc(Cl)c1Cl 1838233 DVKHPDPMJQPICA-UHFFFAOYSA-N 403.231 5.865 0 40 HKAB C[C@H](OC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 1984730 VPZBURHQYPMYFJ-AWEZNQCLSA-N 414.288 5.844 0 40 HKAB O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Br)cc1 2167740 RPWHVHADRPHPLX-UHFFFAOYSA-N 404.285 5.042 0 40 HKAB CCOc1nnc(-c2ccccc2)c2c(-c3ccccc3)n(-c3ccccc3F)nc12 2181193 ZVTNLVBPNBCGMF-UHFFFAOYSA-N 410.452 5.687 0 40 HKAB COc1ccc(N(Cc2cccc3ccccc23)S(=O)(=O)c2cccc(C)c2)cc1 2644337 BVHFLYNPPRVZNY-UHFFFAOYSA-N 417.530 5.552 0 40 HKAB CC(C)c1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 2714017 GYTVRSGNLJCPDD-UHFFFAOYSA-N 422.507 7.094 0 40 HKAB Cc1nn2c(C(F)(F)C(F)(F)F)cc(-c3ccc(F)cc3)nc2c1Br 2786703 NJAPHENJUBXDIG-UHFFFAOYSA-N 424.142 5.260 0 40 HKAB CC(C)N(C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)C(C)C 3274261 HHUAZSXWEDTSGU-UHFFFAOYSA-N 420.648 5.173 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(C)n1Cc1ccccc1 3332575 WIKRJADZIGYGRB-SJORKVTESA-N 408.571 5.268 0 40 HKAB Cc1ccsc1C(=O)Nc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1 3366375 AHPQSKYTULPNMF-UHFFFAOYSA-N 412.470 5.263 0 40 HKAB O=C(Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)c1cccs1 4078223 YEJSJLHECBBSGR-UHFFFAOYSA-N 401.460 5.163 0 40 HKAB Cc1cccc(C(=O)N(CCc2ccccc2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)c1 4231040 ZSMAJHSUTMVLRH-UHFFFAOYSA-N 424.544 5.338 0 40 HKAB O=C(Nc1cccc(N2Cc3ccccc3C2)c1)c1sc2ccccc2c1Cl 4624055 TZJWJTAWUDBTTD-UHFFFAOYSA-N 404.922 6.327 0 40 HKAB O=C(OC1(c2nccc3ccccc23)CCN(Cc2ccccc2)CC1)c1ccccc1 4774466 WTIRZMWPTTTYJK-UHFFFAOYSA-N 422.528 5.583 0 40 HKAB CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c(O)cc1OCc1ccc(C)cc1 4808262 QYLIMVHWICRBOM-UHFFFAOYSA-N 405.523 5.664 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)c3ccccc3C)C3CCCC3)cc2c1 4861293 YYWHAORUWZCNMD-UHFFFAOYSA-N 406.957 6.398 0 40 HKAB CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)N(c1ccccc1)c1ccccc1 4888284 FDAGOPCFVOZGMV-VKGMXUHCSA-N 419.569 5.493 0 40 HKAB CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccc2ccccc2n1 4931670 OAQYHHNVYWDRNQ-UHFFFAOYSA-N 413.452 5.344 0 40 HKAB CC(C)c1ccc2oc(-c3cc(Br)c(N)c(Br)c3)nc2c1 6239442 HEKDJMZICOXJHH-UHFFFAOYSA-N 410.109 5.725 0 40 HKAB O=c1[nH]c(-c2ccc(-c3ccc(F)c(Cl)c3)o2)nc2sc3c(c12)CCCC3 6720455 ZJTANBLTPASQAS-UHFFFAOYSA-N 400.862 5.583 0 40 HKAB Cc1cc2oc(=O)cc(COc3ncnc4c(Cl)cc(Cl)cc34)c2cc1C 6790714 JDFQWGWHZMTUMI-UHFFFAOYSA-N 401.249 5.239 0 40 HKAB C[C@@H]1CCc2c(sc3nc(-c4ccc(OCC(=O)O)cc4)cc(-c4ccco4)c23)C1 7148370 RPFQLOUNJFIBEA-CQSZACIVSA-N 419.502 5.812 0 40 HKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccccc1C(F)(F)F 8071969 LSTKHKYKTXHIAQ-UHFFFAOYSA-N 402.210 5.264 0 40 HKAB OC1CCC(Nc2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1 8186439 HYKWGLFMOAKCEG-UHFFFAOYSA-N 402.523 5.136 0 40 HKAB COc1ccccc1-c1c(-c2ccc(OCc3ccc(Cl)cc3)cc2O)n[nH]c1C 8771878 JWNPDSOPYCVVIF-UHFFFAOYSA-N 420.896 5.999 0 40 HKAB COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2Cl)c1 9413729 MVMWZVJYLADOOG-UHFFFAOYSA-N 420.852 5.599 0 40 HKAB Cc1ccc2oc(C(=O)Nc3nonc3-c3ccc(Br)cc3)c(C)c2c1 11917303 RWIWSZNMFGKBOJ-UHFFFAOYSA-N 412.243 5.114 0 40 HKAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(Br)cc2F)cc1 12816442 YGOZYIYXSVAUNC-UHFFFAOYSA-N 419.319 5.510 0 40 HKAB COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCC(C)C)c1 13942485 KIORQUDAWHYCBB-HHHXNRCGSA-N 424.544 6.435 0 40 HKAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1 14237750 IXEXHXMJNYEWIW-HSZRJFAPSA-N 401.510 5.062 0 40 HKAB CC(C)=CCC[C@]1(C)C=Cc2c(ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)O1 14690609 PCZZLTRWCMPYNK-SQJMNOBHSA-N 422.477 5.421 0 40 HKAB biogenic CCOc1ccc(-c2nc(COC(=O)c3ccc4ccccc4n3)cs2)cc1OC 15275839 QENNBJDKNYAFBM-UHFFFAOYSA-N 420.490 5.123 0 40 HKAB CCc1cc([C@H](c2ccccc2F)N2CCOCC2)c(NC(=O)c2ccccc2)s1 19880731 BFLHKRBYQKGHGX-QFIPXVFZSA-N 424.541 5.124 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20151201 LZNOMZXYZLUPAO-UHFFFAOYSA-N 408.306 5.477 0 40 HKAB OC(CNCc1ccccc1Cl)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 20365337 UIUYZFWJZHZEML-UHFFFAOYSA-N 406.740 5.673 0 40 HKAB CC1CCN(Cc2ccc(C(=O)NCCSc3ccc(Cl)cc3)cc2)CC1 20451755 DPWYZYBZZNYBLC-UHFFFAOYSA-N 402.991 5.094 0 40 HKAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1C 20454222 DXKLNUFPJGLGOV-QHCPKHFHSA-N 409.526 6.223 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)c1 20807858 BXXAWDIDPCLOBA-UHFFFAOYSA-N 408.401 5.098 0 40 HKAB CC(C)c1ccc(NC(=O)c2cccnc2Nc2ccc(OC(F)(F)F)cc2)cc1 22073005 HPICUFWDIHEPAK-UHFFFAOYSA-N 415.415 6.100 0 40 HKAB C[C@@H]1CCCN(Cc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)C1 22524387 NODNFDOQZHXXNJ-HSZRJFAPSA-N 412.577 5.761 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Nc1cccc(NC(=O)Nc2ccccc2)c1 24984738 GSGPVEMNENABPZ-INIZCTEOSA-N 422.916 5.732 0 40 HKAB COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 30863722 XDLOZJPAKALSNV-IBGZPJMESA-N 400.522 5.139 0 40 HKAB Cc1[nH]c2ccccc2c1[C@@H](C(=O)O)N1CCC[C@@H](c2nc3ccccc3s2)C1 31815183 UKUTVZZBLMWKBI-VFNWGFHPSA-N 405.523 5.091 0 40 HKAB Cc1nn(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(C)c1Br 32611497 DUBSUXMVJHTGSF-UHFFFAOYSA-N 404.695 5.157 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3Cc2ccccc2)c1 36613479 WTIHEDSGSOCCRC-UHFFFAOYSA-N 410.521 5.535 0 40 HKAB Cc1ccc(-n2nnc(-c3nc(C)c(C(=O)NC4CCCCCC4)s3)c2C)cc1C 38654774 WJHGDUGFJSMMFU-UHFFFAOYSA-N 423.586 5.077 0 40 HKAB COc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)c1 46078794 SCVUREGVQZGMGX-UHFFFAOYSA-N 420.896 5.194 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN4CCC[C@@H]4c4cccs4)[nH]c(=O)c23)cc1 58160092 JZTNSWLEAWXWDV-QGZVFWFLSA-N 421.591 5.667 0 40 HKAB Cc1cnn(CCCNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1 60329830 KWBAXDKRUZHLDL-UHFFFAOYSA-N 402.734 5.187 0 40 HKAB CSc1ccc(-c2csc(CN3CCC(NC(=O)OC(C)(C)C)CC3)n2)cc1 72273306 IRRHTRVKHDNRNS-UHFFFAOYSA-N 419.616 5.021 0 40 HKAB Cc1cc2[nH]c(-c3ccc(Br)cc3Br)nc2cc1Cl 73638181 ZXNYFEWTMVGZMY-UHFFFAOYSA-N 400.501 5.717 0 40 HKAB CCC[C@@H](C)[C@@]1(CC)C(=O)N=C(SCc2cccc(Br)c2)N=C1O 95471919 KRELQFSGWJQQLO-GFCCVEGCSA-N 411.365 5.368 0 40 HKAB Cc1ccc2nc(-c3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3Cl)oc2c1 101633662 FRAYRQVVNTZDDB-OPEKNORGSA-N 415.707 7.514 0 40 HKAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 102629031 IWGLTPCLEQVKGS-LFSCOCTRSA-N 400.261 5.097 0 40 HKAB COc1cc(CNc2ccccc2)cc(Br)c1OCc1ccccc1F 107042803 XWJPRXOIUYSVFY-UHFFFAOYSA-N 416.290 5.788 0 40 HKAB CC/N=C1\S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1CC 109596549 PLGYVNAXIJZOEC-DNLCFCFBSA-N 400.931 5.231 0 40 HKAB CC[C@@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118925743 RTLUSWHIKFIQFU-SHARFHEHSA-N 412.702 8.089 0 40 HKAB C[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(C(C)(C)C)cc1 218989276 LBFYUFPDQJPTET-SFHVURJKSA-N 421.968 6.708 0 40 HKAB CC(C)C[C@H](NC(=O)CCCN1C(=O)c2cccc3cccc1c23)c1ccccc1 219471154 LXZXJNAKSKGDMG-QFIPXVFZSA-N 400.522 5.484 0 40 HKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(Cl)c3)N21 222684153 IEIUJRUMXVYQIH-ZLGUVYLKSA-N 408.958 5.505 0 40 HKAB Fc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 223107581 VRYAUFKJTOFCNV-PKTZIBPZSA-N 420.557 5.317 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1cc(C)cc(C)c1C 224277465 SEYYZDIBPGKGHV-UHFFFAOYSA-N 423.940 6.414 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2Cl)cc1CSc1ccc(Cl)cc1 224347644 MFDDVAVJQJHHAM-UHFFFAOYSA-N 418.345 6.547 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1ccccc1C(C)C 224564606 XORBROYKADXZKV-UHFFFAOYSA-N 417.549 6.602 0 40 HKAB Cc1ccc([C@H](NC(=O)CSCc2ccc(Cl)cc2F)c2ccccc2)cc1 224654839 POHNIARTMFXVFB-HSZRJFAPSA-N 413.945 5.927 0 40 HKAB Cc1ccc(CN(C(=O)Cc2cc(C)ccc2C)[C@@H](C)C(=O)NC2CCCCC2)cc1 224753005 PDVZBLCUXBIOGB-QFIPXVFZSA-N 420.597 5.021 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(OC(F)(F)F)cc1 224855978 XWQITOUCXVCUJD-UHFFFAOYSA-N 410.244 5.764 0 40 HKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 225007601 XECSZVKJJVNYNV-LEWJYISDSA-N 416.565 5.104 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(Br)c(Cl)c1 225371744 ZLPKXEURCVWMDT-UHFFFAOYSA-N 407.522 5.981 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1snnc1-c1ccc(Br)cc1 225783628 OQQBCJBQZGKPMU-UHFFFAOYSA-N 408.708 5.182 0 40 HKAB COC(=O)c1cc(OC)c(OCc2ccc(Cl)c(Cl)c2)cc1Br 226360804 QJHBMPFGKFPQSI-UHFFFAOYSA-N 420.086 5.130 0 40 HKAB Cc1cccc(Nc2ccc([C@H]3CCCCN3Cc3ccc4nccnc4c3)cn2)n1 257209596 BQZPHIVXDSHRAQ-HSZRJFAPSA-N 410.525 5.199 0 40 HKAB Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)o2)cc1Cl 260778077 QZAARLCWHHICMV-XMDBHEJHSA-N 409.942 5.893 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 408703229 PBCXRQIFOZXHTP-KRWDZBQOSA-N 411.954 6.347 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3)cc2-c2ccc3ccccc3c2)c1 408726781 UQCMCZHAXDNHQF-UHFFFAOYSA-N 403.485 6.253 0 40 HKAB CC(C)c1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 408817470 VSYSPDGKNMVMKX-IOSRVKNLSA-N 419.614 6.864 0 40 HKAB COc1cc2c(cc1C)-c1nc(NC(=O)c3cc(Cl)ccc3OC)sc1CC2 409051590 BJXQQXMLBFXRCJ-UHFFFAOYSA-N 414.914 5.140 0 40 HKAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c(C)c1 409063170 HXQABMXNMCYARP-UHFFFAOYSA-N 412.533 5.461 0 40 HKAB COc1cc(CNc2ccccc2)cc(Br)c1OCc1cccc(F)c1 409109490 FYOBFKCUXABZKS-UHFFFAOYSA-N 416.290 5.788 0 40 HKAB Cc1c(Cl)cccc1NCc1cccc(OCc2ccc(Br)cc2)c1 409111266 BVKPVHZAXXBMGK-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1ccc(NC(=S)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCCC2)cc1 883280 QZOKMKIRCZQCHM-UHFFFAOYSA-N 419.594 5.677 0 40 HKAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 901421 SXDPVHWXDFDBTH-VXGBXAGGSA-N 415.506 5.106 0 40 HKAB CC(C)c1nc2sc3c(NCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 1244513 NFOMZWDRZVIHMF-UHFFFAOYSA-N 418.566 5.826 0 40 HKAB c1ccc([C@@]2([C@]3(c4ccccc4)Nc4ccccc4S3)Nc3ccccc3S2)cc1 1736558 QIIPXKDIYLWCQE-CLJLJLNGSA-N 424.594 7.128 0 40 HKAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 2084358 FPEJOKAUKXVJFL-QGZVFWFLSA-N 407.322 5.913 0 40 HKAB COc1ccc(-n2c(SCCc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 2197090 BYTIMWYLHDVFSE-UHFFFAOYSA-N 422.937 5.383 0 40 HKAB COc1ccc(OC)c(S[C@@H](CC(=O)c2ccc(Cl)cc2)c2ccccc2)c1 2388830 VVROAWZKQKTMDA-QFIPXVFZSA-N 412.938 6.464 0 40 HKAB Clc1ccc(-c2c[n+](-c3ccc(Br)cc3)c3n2CCCCC3)cc1 2685427 DADKAJXEKIXHJD-UHFFFAOYSA-N 402.743 5.574 0 40 HKAB O=C(Nc1cccc(Br)c1)C(=O)c1c(-c2ccccc2)cc2ccccn12 3236525 XJUCFRZHONMFSF-UHFFFAOYSA-N 419.278 5.190 0 40 HKAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 3241959 OHEFTVSZTLTKLR-UHFFFAOYSA-N 420.852 5.252 0 40 HKAB O=C(Oc1ccc2c(c1)OCO2)c1cc(-c2ccccc2Cl)nc2ccccc12 3301108 KTAZJHJELDUINB-UHFFFAOYSA-N 403.821 5.503 0 40 HKAB Cc1ccccc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 3319029 GSYIRIJSCBQXDO-UHFFFAOYSA-N 402.475 5.067 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H](N[C@H]1CCCc2ccccc21)c1ccccc1 3323112 MMMCGYFIOQKTDP-WIOPSUGQSA-N 400.522 5.351 0 40 HKAB CCOc1ccc(Oc2ccc(NC(=O)c3ccc(OCC)c(OCC)c3)cc2)cc1 3344984 YVUNPLBXUJQZDX-UHFFFAOYSA-N 421.493 5.927 0 40 HKAB C[C@@H](Sc1ncnc2sccc12)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3430067 KFGOFUJTFOYIGP-MRVPVSSYSA-N 417.865 5.483 0 40 HKAB Cc1ccc([C@@H](NC(=O)Cc2cccs2)C(=O)Nc2ccc(C(C)C)cc2)cc1 3615584 NVIATWLNBZHMHN-HSZRJFAPSA-N 406.551 5.219 0 40 HKAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(c2nc3ccccc3s2)CC1 4224051 MVBWODPQEGHGIO-UHFFFAOYSA-N 415.518 5.051 0 40 HKAB Cc1ccc(-c2csc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)n2)cc1C 4491394 ABCBMTDBBPAMMG-RUZDIDTESA-N 409.558 6.783 0 40 HKAB COc1ccccc1C(=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 4591305 UZZDYXKAXHNJKA-FKTWDOJWSA-N 402.450 5.318 0 40 HKAB COc1ccc(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 4675402 DPHWZCMUCJFVND-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB Cc1ccc2nc(-c3cc(Br)ccc3F)c(Nc3ccccc3C)n2c1 4733765 DDLVCQUAHYCSES-UHFFFAOYSA-N 410.290 6.263 0 40 HKAB O=C(Nc1c(-c2ccc(F)cc2)nc2ccccn12)c1ccc(Cl)cc1Cl 4790765 TZRWGJNGWBKSKV-UHFFFAOYSA-N 400.240 5.700 0 40 HKAB Cc1ccc(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)cc1C 6044484 NSMWKHGLOMGNHM-UHFFFAOYSA-N 412.489 5.159 0 40 HKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1sc2ccccc2c1Cl 6243395 LDQFRFWWNWQQDU-LBPRGKRZSA-N 402.972 6.195 0 40 HKAB CCc1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1 6406018 UJLANLVZVJKUKM-UHFFFAOYSA-N 410.311 5.843 0 40 HKAB Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)Cc2ccco2)cc(C)c1Cl 6810586 MENXBJCKGDGQNP-UHFFFAOYSA-N 418.320 5.811 0 40 HKAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3N=C(c3ccc(F)cc3)C[C@H]21 7276159 KUYMQYWXTWWYGJ-HXUWFJFHSA-N 402.425 5.069 0 40 HKAB O=c1[nH]c(CNc2ccccc2N2CCCCC2)nc2scc(-c3ccccc3)c12 7322816 KYAWFWIVPGWEAW-UHFFFAOYSA-N 416.550 5.254 0 40 HKAB Cc1ccc(Nc2nnc(S[C@@H](C)c3nnc(-c4ccccc4)o3)s2)c(C)c1 7371225 HORCBYAQCBLHLY-AWEZNQCLSA-N 409.540 5.802 0 40 HKAB Clc1cccc(Nc2nnc(SCc3nnc(-c4ccccc4)o3)s2)c1 7578478 BNRBIPNIBUQFGO-UHFFFAOYSA-N 401.904 5.277 0 40 HKAB Cc1cc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C(C)C)c2ccccc2n1 7989600 IMHFFCOOZJOEGM-UHFFFAOYSA-N 420.900 5.297 0 40 HKAB COC(=O)c1cccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1C 8330462 COJGHRANXXAXFT-HMMYKYKNSA-N 405.881 5.614 0 40 HKAB CCOc1ccc(-c2cc(NC(=O)c3c(F)cccc3F)c(C(=O)OC)s2)cc1 8611452 WZWHILCGTTWEDP-UHFFFAOYSA-N 417.433 5.131 0 40 HKAB O=c1c2c(-c3ccccc3)csc2ncn1Cc1cc(-c2ccc(Cl)cc2)no1 9155504 WGMCAPJOSMWGPZ-UHFFFAOYSA-N 419.893 5.482 0 40 HKAB CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 9260611 CMRUADOAUAZOKK-HSZRJFAPSA-N 424.504 5.528 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 10328522 ADKSMKOWDOODQX-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB CCOc1ccccc1NC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc12 11866458 QPMLESJLNDPNFK-UHFFFAOYSA-N 401.462 5.971 0 40 HKAB biogenic COc1ccc(CCNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1OC 12042233 JLHLBIUVLGHFJC-UHFFFAOYSA-N 420.292 5.243 0 40 HKAB CSCC[C@H](NC(=O)c1sc2ccccc2c1Cl)c1nc2ccccc2[nH]1 12546435 VUAKSWCAYUYSQM-HNNXBMFYSA-N 415.971 5.655 0 40 HKAB COc1ccc(NC(=O)[C@@H](C)SCc2cc(-c3ccc(Cl)cc3)no2)cc1 13015260 VZBRVCUVGDJUBZ-CYBMUJFWSA-N 402.903 5.264 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NCc1ccco1 13686717 GMRJGSKGZYCXRQ-UHFFFAOYSA-N 424.500 5.370 0 40 HKAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)nc12 17088416 QLJJBUDSVKXCGU-UHFFFAOYSA-N 410.351 5.347 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 17090376 UZLCWYDBMJCXEP-UHFFFAOYSA-N 415.518 5.492 0 40 HKAB Cc1ccc(-n2ncc3c(N4CCC(Cc5ccccc5)CC4)ncnc32)cc1Cl 17120852 IHOOMNFNZGNDDM-UHFFFAOYSA-N 417.944 5.236 0 40 HKAB Cc1ccc(S(=O)(=O)N2c3cc(Cl)ccc3Oc3nc4ccccc4nc32)cc1 20030731 XCSQPKYDKMUXIM-UHFFFAOYSA-N 423.881 5.224 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 20104667 XHKBLHHYKNKDTK-UHFFFAOYSA-N 410.473 5.031 0 40 HKAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2csc(-c3cccs3)n2)cc1 23011913 SAAFWROKDGGQKQ-UHFFFAOYSA-N 420.519 5.768 0 40 HKAB CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)cc1 27663887 ZZRGWZHRJDXSMP-QFIPXVFZSA-N 400.950 5.084 0 40 HKAB COc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1OC 30861978 ADKGWSHFALDZCL-SFHVURJKSA-N 421.562 5.796 0 40 HKAB CCCCC(=O)Nc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1OC 32114989 UCHUYYYDBPAMQI-UHFFFAOYSA-N 412.530 5.139 0 40 HKAB CC(=O)CCC(=O)Nc1cccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c1 32609584 LBWAPRPLRODTBN-UHFFFAOYSA-N 404.253 5.018 0 40 HKAB COc1ccc(NC(=O)c2cc(C)nc3onc(-c4ccc(F)cc4)c23)cc1Cl 36613474 PSLHPYSXNRILQY-UHFFFAOYSA-N 411.820 5.252 0 40 HKAB CCn1nc(C)c2c(C(=O)Nc3ccc(C)c(Cl)c3)cc(-c3ccc(C)cc3)nc21 36613562 UVOLOCDRUQSBKK-UHFFFAOYSA-N 418.928 5.949 0 40 HKAB Cc1ccccc1[C@@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 44839875 HTIIROKPVBVKSD-NDEPHWFRSA-N 405.541 6.300 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1C 44856363 IPCJBMAZHASMDU-QGZVFWFLSA-N 419.396 5.700 0 40 HKAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccccc3)c2c1 49421532 RECZUQVFVHESNH-UHFFFAOYSA-N 418.518 5.518 0 40 HKAB O=C(Oc1ccc(C2SCCS2)cc1)C1CCN(c2ccc(Cl)cn2)CC1 95350259 MFORQRXNQDDBMR-UHFFFAOYSA-N 420.987 5.036 0 40 HKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)C1 102137948 YPJILUUWHJENGD-MHECFPHRSA-N 405.567 5.642 0 40 HKAB O=C(COc1ccc(CNc2ccccc2)cc1Cl)Nc1ccc(Cl)cc1 107838405 NTJQMHVCUSARCJ-UHFFFAOYSA-N 401.293 5.623 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1OCC 139895317 ULSQABJVVZDFTN-OAHLLOKOSA-N 405.922 5.172 0 40 HKAB O=C(Nc1ccc(Br)c(Cl)c1)/C(=C/c1ccccc1)c1ccccc1 207046152 WMFQCXIANLOLRI-QGOAFFKASA-N 412.714 6.282 0 40 HKAB Cc1cc(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc(C)c1Br 218839710 VOBMNUNALWEXJZ-MRXNPFEDSA-N 418.375 5.620 0 40 HKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(C)c(Cl)c4)o3)N21 222716001 LPXUTMZINJLALU-WQTXXOFMSA-N 423.969 6.283 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1 223262711 PDEBGMCFCVRDTA-UHFFFAOYSA-N 419.937 6.019 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1C(C)C 223348767 XQINAXJHGZAAFQ-NRFANRHFSA-N 422.613 5.525 0 40 HKAB CC(C)CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223420277 ZFFDEUXHERKTQO-QFIPXVFZSA-N 414.977 5.228 0 40 HKAB CCOc1ccc(NC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)cc1 224877978 WDRVDYWDWCBJPO-UHFFFAOYSA-N 415.287 5.074 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(Cl)cc1F)CC(C)(C)O2 224932885 SLKHKKKPTYXAOL-SFHVURJKSA-N 423.937 5.140 0 40 HKAB O=C(CCc1ccc(Cl)cc1)Nc1ccccc1SCc1ccc(Cl)cc1 225308576 XAEPUFLQJNADCF-UHFFFAOYSA-N 416.373 6.857 0 40 HKAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)[nH]1 225382590 WSSCCWQBMRTWTD-XZOQPEGZSA-N 418.566 5.217 0 40 HKAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1Cl 225535855 FWGXGYDRKVJVKJ-KRWDZBQOSA-N 401.934 5.594 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(OC(C)C)cc1)CC(C)(C)O2 225683885 RSPSFDGJFNHBMX-IBGZPJMESA-N 400.544 5.071 0 40 HKAB CCc1ccc(-c2csc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4CC[C@H]3C4=C(C)C)n2)cc1 226591201 UKJGSAZZKIRXKP-FVCZOJIISA-N 410.539 5.004 0 40 HKAB CC(=O)[C@H](C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)C(c1ccccc1)c1ccccc1 245240316 PBSTWIYTCPQRBP-IODBPXAYSA-N 406.566 6.028 0 40 HKAB Cc1ccc(Oc2ccccc2C(=O)N(CCc2ccc(Cl)cc2)CC(=O)O)cc1 257199852 ABAZEGYNXKYBIO-UHFFFAOYSA-N 423.896 5.210 0 40 HKAB COc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)cc1 408694324 JBBKZHGQKVMKID-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccccc2)nc1-c1ccc(Cl)cc1 408698173 LTBKXACKUXBUCP-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB COc1cc(/C=C\[N+](=O)[O-])c(Br)cc1OCc1cccc2ccccc12 409079508 BMLPLIDITZYKEL-KTKRTIGZSA-N 414.255 5.437 0 40 HKAB CCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)c2ccccc21 409118107 SLTSEFYEDSSHNB-JWGURIENSA-N 413.473 5.261 0 40 HKAB COc1cc(CNc2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 409121623 XEGRQNNYRADYKC-UHFFFAOYSA-N 403.909 6.693 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 409200495 LZKTYHPDCSZOBK-UHFFFAOYSA-N 410.684 6.380 0 40 HKAB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C1=O 409214645 ZAHJLRDVJLEKGF-ZHZULCJRSA-N 415.942 6.146 0 40 HKAB c1ccc(-c2ccccc2Nc2ccc3c(c2)c2ccccc2n3-c2ccccc2)cc1 2362797726 WZDABEKWGLKERW-UHFFFAOYSA-N 410.520 8.194 0 40 HKAB CCc1ccccc1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 902287 KEYONEBSQLDEEM-UHFFFAOYSA-N 407.417 5.049 0 40 HKAB CCCc1nc2sc3c(SCCC(C)C)ncnc3c2c2c1COC(C)(C)C2 1812090 ONKVXVLHSAHMGV-UHFFFAOYSA-N 415.628 6.182 0 40 HKAB O=C1/C(=C/c2cn(Cc3ccccc3)c3ccccc23)NC(=S)N1C1CCCCC1 2128332 RYCQPFUNJIUISS-JCMHNJIXSA-N 415.562 5.080 0 40 HKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Cl)c2)N1c1ccc(Cl)cn1 2421195 MHUDHOCYWXUXFD-IBGZPJMESA-N 423.255 5.245 0 40 HKAB Cc1ccc(-n2c(S[C@@H](C)c3ccccc3Cl)nnc2-c2ccccc2)cc1C 2617503 QCDJIHXLPJKZOG-SFHVURJKSA-N 419.981 7.058 0 40 HKAB Cc1cc(C)cc(NC(=O)c2cccc(COc3ccccc3Br)c2)c1 2750947 FAXFVIPWZASHCD-UHFFFAOYSA-N 410.311 5.897 0 40 HKAB CCc1c(C)sc2ncn3nc(-c4ccc(COc5cccc(C)c5)o4)nc3c12 2792361 CPCMGOFKJHVALM-UHFFFAOYSA-N 404.495 5.357 0 40 HKAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc(-c2ccccc2)cc1 3336242 JXANZKVAHYLCPY-UHFFFAOYSA-N 410.444 5.985 0 40 HKAB C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)NC(c1ccccc1)c1ccccc1 3347710 XJSIQDIJPQTLDK-KRWDZBQOSA-N 415.518 5.123 0 40 HKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C(C(=O)c1ccccc1)C(=O)c1ccccc1 3846295 MEJYXHVXOXPRNY-VLCRHTCISA-N 406.522 5.372 0 40 HKAB O=C(O)C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2s1 3884680 KRFDRGKRBQQYEB-XMHGGMMESA-N 401.487 5.891 0 40 HKAB Cc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)c(C)c1 4167506 QKRNSQAMWXHQHB-UHFFFAOYSA-N 403.960 5.515 0 40 HKAB Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@H](C)CC[C@@H]4C(C)C)cc3C2=O)cc1 4175029 CSOLZNRRMSQPLG-HCLVMJGWSA-N 419.521 5.413 0 40 HKAB biogenic COc1ccc(OC)c2sc(NC(=O)c3ccc(Oc4ccccc4)cc3)nc12 4331354 XJBCDVHXSQQZQD-UHFFFAOYSA-N 406.463 5.358 0 40 HKAB c1ccc(Nc2nc(N3CCCCC3)nc(N(c3ccccc3)c3ccccc3)n2)cc1 4550949 VIRONBDPWFLKPC-UHFFFAOYSA-N 422.536 6.075 0 40 HKAB Clc1ccc(/C=C/c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)cc1 4784624 RHVLEIBYGHOWMO-FPYGCLRLSA-N 407.713 5.983 0 40 HKAB O=C(CSC1=NC2(CCCC2)N=C1c1ccc(Cl)cc1)Nc1cccc(F)c1 4890928 OJCOIOIWAZRHIF-UHFFFAOYSA-N 415.921 5.323 0 40 HKAB Cc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2ccco2)c1C 4920538 SNRBDKHRUHZQCJ-UHFFFAOYSA-N 417.578 6.128 0 40 HKAB CC(C)c1ccc(CN(Cc2ccccc2)C(=O)c2cc3ccccc3oc2=O)cc1 4935196 JWHAAMNFLKQLNS-UHFFFAOYSA-N 411.501 5.759 0 40 HKAB COc1cccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(F)cc23)c1 4970298 LTGQJWZKBUVTTL-UHFFFAOYSA-N 403.844 6.042 0 40 HKAB Cc1cccc(NC(=O)Nc2ccc(Oc3c(F)c(F)c(F)c(F)c3F)cc2)c1 5155963 XFUATOVUHIHQIZ-UHFFFAOYSA-N 408.326 6.127 0 40 HKAB aggregator CSc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 5178026 ZIVSFWWZMHBQBX-GBXCKJPGSA-N 416.502 5.380 0 40 HKAB CCc1ccc(Nc2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1 5267114 INZJXDJTPUZNNA-UHFFFAOYSA-N 418.972 6.962 0 40 HKAB O=c1[nH]c2ccc(NCc3ccccc3OCc3ccc(Cl)cc3Cl)cc2[nH]1 5740944 XUDJNNXSGFXHNB-UHFFFAOYSA-N 414.292 5.354 0 40 HKAB O=C(COc1ccc(Br)cc1Cl)Nc1ccc(C(F)(F)F)cc1 5829913 QNOKHQQJCXOFPL-UHFFFAOYSA-N 408.601 5.139 0 40 HKAB CC(C)CCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)n(C)c2ccccc12 6023175 RGYNGPPRBYXFFX-MHZLTWQESA-N 408.545 6.437 0 40 HKAB COc1ccccc1Nc1nnc(SCC(=O)c2cc(C)n(C3CC3)c2C)s1 6035834 KIQRUVIYINNUNV-UHFFFAOYSA-N 414.556 5.019 0 40 HKAB CC(=O)N(c1nc(COC(=O)c2ccc(F)cc2F)cs1)c1ccc(C)cc1C 6354521 NMNRURHTPIPFRP-UHFFFAOYSA-N 416.449 5.080 0 40 HKAB Cc1ccccc1-n1cccc1/C=C1/S/C(=N/c2cccc(Cl)c2C)NC1=O 6969387 VGDXAIVXUHYUFZ-DEDYPNTBSA-N 407.926 5.639 0 40 HKAB c1ccc(-c2ccc(C3=NN(c4ccccc4)[C@@H](c4ccc5c(c4)OCO5)C3)cc2)cc1 6998218 YKABTGFCSWJCKB-AREMUKBSSA-N 418.496 6.438 0 40 HKAB COc1ccc(OC)c(N(CC(=O)c2ccc(Cl)cc2)C2=NCCCCC2)c1 7275121 FNBAVGHHJSDVAY-UHFFFAOYSA-N 400.906 5.019 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2)c2cccs2)c1C 7277699 IBRMABSTQQIKJL-QFIPXVFZSA-N 418.587 6.880 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1cccc(Cl)c1 7542814 KSYZYSMJHDUGRK-SFHVURJKSA-N 401.897 5.259 0 40 HKAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1cccc2ccccc12 7689141 IWWCQQKFTSWWTI-UHFFFAOYSA-N 403.400 5.065 0 40 HKAB O=C(NC1CC1)c1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 8230730 GPPGQTMBXFAMHF-UHFFFAOYSA-N 415.276 5.398 0 40 HKAB COc1cc([C@@H]2c3c(c4ccccc4oc3=O)Nc3ccc4ccccc4c32)ccc1O 8857489 CXSQKKLILPIITK-QHCPKHFHSA-N 421.452 5.898 0 40 HKAB COc1cccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2cccc(Cl)c2)c1 9328050 PJNLARPWPQFMTO-UHFFFAOYSA-N 421.905 5.843 0 40 HKAB c1csc(-c2nnc3sc(-c4ccccc4-c4nc5ccccc5s4)nn23)c1 9410178 SJKJMRUAMOYHTO-UHFFFAOYSA-N 417.544 5.858 0 40 HKAB Nc1c(-c2nc3ccccc3[nH]2)c2nc3ccccc3nc2n1Cc1cccc(Cl)c1 9448860 DSXHRPNRRFOXDJ-UHFFFAOYSA-N 424.895 5.412 0 40 HKAB Cc1sc(Nc2ccc(Br)cc2)nc1-c1ccc(Br)cc1 9635936 AFDCFALYCVVLPN-UHFFFAOYSA-N 424.161 6.387 0 40 HKAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 10236799 FTHCAKLGTIAZFZ-UHFFFAOYSA-N 410.481 5.116 0 40 HKAB CCOc1ccc(C2=Nc3ccc(Br)cc3C(c3ccc(C)o3)=NN2)cc1 12497599 ZASSMKAZLSWYSA-UHFFFAOYSA-N 424.298 5.183 0 40 HKAB C[C@@H]1CC2=C(Nc3nnnn3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 12529308 CVSAOCVTLYTXON-IJJJJYBNSA-N 424.335 5.762 0 40 HKAB Cc1ccc(Nc2nnc(S[C@H](C)c3nc(-c4ccncc4)no3)s2)cc1C 12538367 ZFPGFAKUAISIOJ-CYBMUJFWSA-N 410.528 5.197 0 40 HKAB COc1ccc(NC(=O)[C@H](Oc2cccc(Cl)c2Cl)c2ccccc2)cc1 12617251 HKSFFESLBACKRF-HXUWFJFHSA-N 402.277 5.761 0 40 HKAB Cc1ccc(N2C(=O)/C(=C/Nc3ccc(F)cc3Cl)c3ccccc3C2=O)cc1C 12651952 RJEPNASCPUBLEA-DEDYPNTBSA-N 420.871 5.736 0 40 HKAB Cc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[C@@H](C)C3)on1 12870025 UUIGVUZRLSISNL-LLVKDONJSA-N 409.536 5.698 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 13102466 QBAKLAWAVFLBIX-UHFFFAOYSA-N 424.835 5.166 0 40 HKAB Cc1ccccc1OCCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 13648256 YSAAGIFEVABBQA-QFIPXVFZSA-N 412.577 6.774 0 40 HKAB C[C@H]1Sc2ccc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)cc2NC1=O 14375367 PANJGCVOKURGKJ-SNVBAGLBSA-N 415.927 5.149 0 40 HKAB Cc1cc(S[C@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc(C(C)C)n1 16454151 PLAJWYQCRRWAEV-SNVBAGLBSA-N 418.777 5.988 0 40 HKAB COc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)s2)cc(OC)c1OC 16643110 AVZJICHUWJJPLI-UHFFFAOYSA-N 403.887 5.347 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1 17090374 BEXSANYFYUQADN-UHFFFAOYSA-N 415.518 5.492 0 40 HKAB Cc1ccc(-c2nn(Cc3cccc(C(F)(F)F)c3)c(-c3ccc(C)cc3)c2C)cc1 17092190 BMGWEOFVJKCIHU-UHFFFAOYSA-N 420.478 7.209 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 20104740 WMYFSLQTONXSAA-OAHLLOKOSA-N 409.165 6.810 0 40 HKAB O=C1c2cc3ccccc3nc2N[C@H](c2c(Cl)cccc2Cl)N1c1ccccc1 20523110 FLOHZXAEEHVWSG-QFIPXVFZSA-N 420.299 6.313 0 40 HKAB Cc1cccc(O[C@H](C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1C 28288033 NUSZYEOHJVVRNC-MRXNPFEDSA-N 414.958 5.207 0 40 HKAB O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccc(F)cc1 32115103 XEDCSVLONKIWTD-UHFFFAOYSA-N 402.759 5.818 0 40 HKAB Fc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)c3ccccc23)cc1 36219459 NCHBVWFWOBDTLR-UHFFFAOYSA-N 413.477 6.383 0 40 HKAB C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@H]1O 38209614 OFHCOWSQAMBJIW-USMCZYRCSA-N 400.647 6.590 0 40 HKAB COc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2cccc(C)c2)cc1 41076834 JZWUIIDRBPPKJZ-UHFFFAOYSA-N 417.534 5.132 0 40 HKAB COc1cccc(-c2cc(O)nc(SCc3nc(-c4cccc(C)c4)oc3C)n2)c1 45924898 KGSUHGTXAHWVRC-UHFFFAOYSA-N 419.506 5.422 0 40 HKAB COc1ccc(-c2noc(CSCc3c(Cl)cccc3Cl)n2)c(OC)c1 58143434 DROAWGWEHGALPK-UHFFFAOYSA-N 411.310 5.494 0 40 HKAB CN(Cn1nc(-c2cccs2)n(Cc2ccccc2)c1=S)C(C1CC1)C1CC1 58182243 PYPORPNPMCWWOG-UHFFFAOYSA-N 410.612 5.269 0 40 HKAB C=Cc1ccc(C(c2ccc(C=C)cc2)(c2ccc(C=C)cc2)c2ccc(C=C)cc2)cc1 90735047 PSGMDUASGFGGHR-UHFFFAOYSA-N 424.587 8.641 0 40 HKAB CC(C)c1ccc(-c2csc(-c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1 94992619 HTOVSAWTQZGEFF-UHFFFAOYSA-N 424.525 6.401 0 40 HKAB Cc1ccc(N2C(=O)N(C(=O)c3ccccc3F)[C@H]3C[C@@]2(C)Oc2ccccc23)cc1 101269537 UASSBTYMYCCTLV-SQJMNOBHSA-N 416.452 5.457 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 103718724 GLVWCOGYNGWGDO-SNVBAGLBSA-N 417.214 5.004 0 40 HKAB CC/N=C1\S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1CC 109596622 OHWWLJQLWNZTIB-JTHVCAJSSA-N 405.317 5.021 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C)c(C)c3)N21 222709863 XEXKKSRWECLJEF-SXSPYAJSSA-N 402.567 5.469 0 40 HKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1Cc1ccccc1 222916930 KEPCUWTZSIAIPT-BJKOFHAPSA-N 418.610 5.177 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)c1 223287197 OIXQVVGNIFCNPZ-HXUWFJFHSA-N 419.590 6.817 0 40 HKAB CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1cccc(Cl)c1 224485837 PXBJKLGANOEUKO-UHFFFAOYSA-N 413.945 5.938 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccccc1OC 224578697 RPFFTECOMFNOMG-UHFFFAOYSA-N 421.493 5.242 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCCC3=CCCCC3)c2)cc1 225355258 HLWOFAFHFAHXFK-UHFFFAOYSA-N 420.622 6.392 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCC[C@@H](C)C4)cc3)CCCC2)cc1 225512800 FCOSGRDJCUTVMJ-JOCHJYFZSA-N 420.597 5.556 0 40 HKAB C[C@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 225534279 KBGJHZDKDDGRMO-QFIPXVFZSA-N 420.597 5.780 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCC(C)(C)OC)c(Cl)c2)CCC(C)CC1 225721790 BZMAYIPTZSFWAW-UHFFFAOYSA-N 411.970 5.458 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1snnc1-c1ccc(F)cc1 225780180 DEDPBMKNLALTPT-UHFFFAOYSA-N 405.454 5.176 0 40 HKAB NC(=O)/C=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 226341649 XLJNDCBCRAXUAF-CMDGGOBGSA-N 416.702 5.333 0 40 HKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 254515709 LIIFBMGUDSHTOU-AMSCAJLWSA-N 424.713 8.377 0 40 HKAB biogenic CC1(C)[C@H](NC(=O)c2ccc(F)c(F)c2)[C@@]23CCO[C@H](c4ccccc4)[C@H]2C[C@@H]1C3 257232585 GLNLHQAHJNJXGY-NPNWRTNISA-N 411.492 5.277 0 40 HKAB O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1cccc2ccccc12 408535472 ZDHYQHYIILPXCP-UHFFFAOYSA-N 402.453 6.183 0 40 HKAB COc1cc(C(=S)NCc2ccccc2C)ccc1OCc1ccc(Cl)cc1 408576104 PSGRLRQKZMHCNV-UHFFFAOYSA-N 411.954 5.701 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1c(C)cc(Br)cc1C 408624619 YFEDOVSCHDBLAI-UHFFFAOYSA-N 403.103 5.634 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)cc2)cc1 408639647 GNLCJAJGPHJUBC-IBGZPJMESA-N 400.478 5.087 0 40 HKAB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=S)NC(=O)c1ccccc1 585655897 JFKPAUWZHUTTCE-UHFFFAOYSA-N 404.579 5.590 0 40 HKAB CC(C)(C)OC(=O)N[C@@]1(C(Cl)(Cl)Cl)Oc2ccc(C(C)(C)C)cc2O1 852992 QEHGDBRUDXAHEC-KRWDZBQOSA-N 410.725 5.304 0 40 HKAB CC(=O)Nc1ccccc1-c1nc2ccccc2nc1OCc1ccccc1Cl 1311526 TYOOGFZUTDNWMK-UHFFFAOYSA-N 403.869 5.488 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(Cl)c1 1379865 FKENTFKYUMLAOJ-QFIPXVFZSA-N 419.912 5.642 0 40 HKAB Cc1cc(OCCCC(=O)NC(c2ccccc2)c2ccccc2)cc(C)c1Cl 1787141 RBAWFWDORSANDU-UHFFFAOYSA-N 407.941 6.022 0 40 HKAB Cc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2-c2ccccc2)cc1C 2261978 JNSROAPCLMPXSC-UHFFFAOYSA-N 400.525 7.695 0 40 HKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1sc2ccccc2c1Cl 2269547 PXJWVGMFFSZQHY-UHFFFAOYSA-N 423.765 6.845 0 40 HKAB C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(-c2ccccc2)cc1 2285926 HFJSJLBABIZLTL-JIPXPUAJSA-N 418.540 6.946 0 40 HKAB O=C(CSc1ncnc2c1oc1ccccc12)Nc1cccc(Cl)c1Cl 2408902 NWVFXTUMUCLLOP-UHFFFAOYSA-N 404.278 5.414 0 40 HKAB O=C(O)CCCc1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1 2583045 YERMDNRHJNZMJT-UHFFFAOYSA-N 401.462 5.455 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)sc(C)c1CC 2746614 FZXYCISMXULJAX-GFCCVEGCSA-N 409.935 5.163 0 40 HKAB Cc1cccc(NCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1 2887721 SEMWNVORTSCSBW-UHFFFAOYSA-N 405.445 5.112 0 40 HKAB CC(C)(C)c1cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc(C(C)(C)C)c1O 3011521 YMPPKJNBFHRGBO-XDHOZWIPSA-N 411.929 5.985 0 40 HKAB Cc1ccc(NC(=O)[C@H](OC(=O)c2ccccc2Cl)c2ccccc2)cc1Cl 3290546 FVHMFLPNHMJOMS-HXUWFJFHSA-N 414.288 5.839 0 40 HKAB aggregator Brc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 3295136 ICDKRRVBMMGHNC-UHFFFAOYSA-N 422.351 5.989 0 40 HKAB OC1=N[C@H](c2ccc(Cl)cc2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 3647471 OTGQYPKYVJZUBI-FQEVSTJZSA-N 409.942 5.389 0 40 HKAB C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 3669343 KISIWYKVWMQNCM-LVWKZKTISA-N 408.328 6.475 0 40 HKAB Cc1ccc2c(c1)-c1c(sn(-c3ccc(C(F)(F)F)cc3)c1=S)C(C)(C)N2 3669389 OJBJROZAEGMSGC-UHFFFAOYSA-N 406.498 6.923 0 40 HKAB CC1=C[C@@H](C)[C@H](C2OCC3(CO2)COC([C@H]2[C@@H](C)C=C(C)C[C@H]2C)OC3)[C@@H](C)C1 4023509 JLEHIYGUDHRGOJ-ZGXAYXEKSA-N 404.591 5.195 0 40 HKAB O=C(CCCCCN(Cc1ccccc1)Cc1ccccc1)OCc1ccccc1 4288828 QXZNBHGJDLXBHO-UHFFFAOYSA-N 401.550 5.993 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)c(O)c2)N3)C1 4554555 NNXNEHWXYZHHOE-YJYMSZOUSA-N 400.544 5.432 0 40 HKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C)n2-c2ccccc2)cc1 4619678 XGXFZOQVAXJUGQ-UHFFFAOYSA-N 414.534 5.282 0 40 HKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc(C)c3OC)sc2c1 4680508 YJDIMOJQSYUKEK-UHFFFAOYSA-N 413.568 5.083 0 40 HKAB CC(=O)Oc1ccc(C(=O)Nc2ccc3nc(-c4ccc(Cl)cc4)oc3c2)cc1 4705022 LTRNIVLMFVHFPL-UHFFFAOYSA-N 406.825 5.326 0 40 HKAB O=C(CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12)Nc1ccc(Cl)cc1 4734474 DUCOIFRORSZMIA-QHCPKHFHSA-N 415.880 5.005 0 40 HKAB CC(C)COc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1 4906746 NQOVBNIXVXWYDW-UHFFFAOYSA-N 420.896 6.435 0 40 HKAB FC(F)Oc1ccc(NC(=S)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc1 4925204 PONFQVRGIZDKPP-UHFFFAOYSA-N 401.482 5.135 0 40 HKAB COc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(C(C)(C)C)cc4)c3c2c1 4970054 AQSFBVIMKCAGAQ-UHFFFAOYSA-N 421.544 6.855 0 40 HKAB COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2ccc(F)cc23)cc1OC 4970314 ZWNHAJBRDKRKIJ-UHFFFAOYSA-N 413.452 5.705 0 40 HKAB C[C@H]1CC(C)(C)Nc2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 5002805 YOUGJMGBZBHYKE-QHCPKHFHSA-N 417.596 7.767 0 40 HKAB CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1cccnc1 5029955 OZRYRKXAPXRBHS-AYWVHJORSA-N 423.497 5.535 0 40 HKAB Cc1nn2c(Nc3ccc(F)cc3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 5206262 JAUDMZLFMVIBPT-UHFFFAOYSA-N 408.908 6.538 0 40 HKAB Cc1ccc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Cl)cc2Cl)cc1C 5417271 DKQSKBNFXHIDDH-HSZRJFAPSA-N 413.323 7.105 0 40 HKAB Cc1cc(Nc2ccc(C(=O)OCC(C)C)cc2)c2ccc(C(F)(F)F)cc2n1 5520736 KXFLKOFZHBDHEB-UHFFFAOYSA-N 402.416 6.118 0 40 HKAB CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@@H]3C[C@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 5529542 YYJQALYDDZZWSF-CEHVJDBXSA-N 400.603 5.335 0 40 HKAB COc1ccc2ccccc2c1C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 5661942 BDWHZANETDCMBU-UHFFFAOYSA-N 402.497 6.991 0 40 HKAB O=C(CSc1ncnc2sccc12)N(Cc1ccccc1)Cc1ccccc1 6115667 DJVPZTPODHGJMO-UHFFFAOYSA-N 405.548 5.012 0 40 HKAB CC(C)(C)C1CCC(C(=O)OCC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)CC1 6186713 GHEVWEJQPHOMRY-UHFFFAOYSA-N 422.606 5.347 0 40 HKAB CC(C)(C)c1cc([C@@H](c2cccs2)c2cc(O)ccc2O)cc(C(C)(C)C)c1O 6313457 WQHQBVAQYDZVJF-JOCHJYFZSA-N 410.579 6.640 0 40 HKAB CCOc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1Cl 6439743 RGTOQKXAVVBRNO-UHFFFAOYSA-N 408.910 6.268 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1 6938399 PJJBUICINOULQH-MRXNPFEDSA-N 415.493 5.729 0 40 HKAB CCOc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccccc1 6960922 YGXMNFQFFVGRRP-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 7929496 ULHRTGNTZQGKJS-AWEZNQCLSA-N 420.336 5.640 0 40 HKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(F)cc2)NC(=O)N1c1ccccc1 8131763 QTLXHLVHYKZZDC-JOCHJYFZSA-N 401.441 5.009 0 40 HKAB Fc1ccc(-c2cnc(CSc3nnc(Cc4cccs4)n3C3CC3)o2)cc1 8230657 NUHQDRNVLFDNBH-UHFFFAOYSA-N 412.515 5.352 0 40 HKAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1 8433664 NQVMMEFDBQLSRB-UHFFFAOYSA-N 415.367 5.293 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(Br)c2)cc1 9065459 KQOSQBNXTUJCOI-JTHBVZDNSA-N 419.322 6.000 0 40 HKAB Fc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)ccc1Cl 9185422 UCJHIPRZLYIGIW-CVDCTZTESA-N 422.843 5.450 0 40 HKAB Oc1nc(SCc2cccc(Oc3ccccc3)c2)nnc1Cc1ccccc1 9340798 KHZUCWAOTFMQLU-UHFFFAOYSA-N 401.491 5.253 0 40 HKAB O=C(/C=C/c1c(Cl)nc2ccccn12)N1CCC(c2nc3ccccc3s2)CC1 9951046 ONVVYAITUUPZGR-CMDGGOBGSA-N 422.941 5.017 0 40 HKAB CCOc1ccc2nc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)sc2c1 11327767 SXNXROJVFYILOR-UHFFFAOYSA-N 411.458 5.060 0 40 HKAB CC(=O)N[C@@H](CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1)c1cccs1 11810578 LKSSIJOTWKKSMV-INIZCTEOSA-N 413.568 5.003 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCCS2 12762427 WXCNFHRQZMZARC-UHFFFAOYSA-N 416.351 5.522 0 40 HKAB CCCCOc1ccc(C(=O)OCc2csc(-c3ccc(Cl)cc3)n2)cc1 12903830 IDFGALWIMVNTIW-UHFFFAOYSA-N 401.915 5.999 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1-c1ccccc1 12922209 FNFBWVIOWKKJQW-UHFFFAOYSA-N 408.383 5.205 0 40 HKAB Brc1cccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)c1 13282005 ZQICSWRZHDJREH-UHFFFAOYSA-N 405.255 5.050 0 40 HKAB CCCCNC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 13684648 QGHHVGODUJYVTQ-UHFFFAOYSA-N 402.494 5.048 0 40 HKAB O=c1c2ccccc2nc(/C=C/c2cccc(Br)c2)n1-c1cccc(O)c1 13756957 AYBQAPJNOGFFDQ-VAWYXSNFSA-N 419.278 5.024 0 40 HKAB Cc1c(-c2ccccc2)oc2c(C(=O)Oc3ccc(-c4nnco4)cc3)cccc2c1=O 14794492 IHVCNOXUTXEZPE-UHFFFAOYSA-N 424.412 5.038 0 40 HKAB Cc1c(NC(=O)COc2cccc3ccccc23)cccc1-c1nc2ccccc2o1 17087912 BQIICJSEIARUKX-UHFFFAOYSA-N 408.457 5.974 0 40 HKAB O=C(COc1ccccc1Cl)OCc1ccc(-c2cccc(Cl)c2Cl)o1 17089035 ASGRQCQBORSRJE-UHFFFAOYSA-N 411.668 6.029 0 40 HKAB CC(C)c1ccc(C(=O)NCc2c(-c3ccc(Cl)cc3)nc3n2CCS3)cc1 17113617 UNWDHXMFYHWNIJ-UHFFFAOYSA-N 411.958 5.363 0 40 HKAB COc1ccc(S[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)cc1 20482714 HSRGDVOULPSGEX-ZDUSSCGKSA-N 413.967 5.018 0 40 HKAB CCc1nn2c(C)c(C(=O)Nc3ccc(C)cc3)nnc2c1-c1cccc2ccccc12 20672788 OFBFQGUFUONVHN-UHFFFAOYSA-N 421.504 5.376 0 40 HKAB O=C(CCCc1nc(-c2cccs2)no1)Nc1cc(C(F)(F)F)ccc1Cl 20894289 DMAZPQHWQHVJEK-UHFFFAOYSA-N 415.824 5.432 0 40 HKAB CN(C)[C@H](CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccsc1 25329897 MLIUMWOCGCPWNS-HXUWFJFHSA-N 418.484 5.467 0 40 HKAB Cc1ccc(-c2nnc([C@@H](C)OC(=O)C(C)(C)Oc3ccc(Cl)cc3)o2)cc1 26420484 ZRWKKNAULONAGQ-CQSZACIVSA-N 400.862 5.160 0 40 HKAB CC(=O)c1cccc(NC(=O)Nc2c(C)nn(Cc3cccc4ccccc34)c2C)c1 27922706 NXDDFVDETARGAM-UHFFFAOYSA-N 412.493 5.548 0 40 HKAB COc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccc(Cl)cc3)n2)cc1 32622963 BEKYYHFAECXPRO-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB O=C(C1CCCCC1)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1 33389577 RERCCWDBYQQMRQ-BRCXDPTOSA-N 410.608 6.513 0 40 HKAB Cc1ccc(-c2noc3nc(-c4ccco4)cc(C(=O)N4CCCC[C@@H]4C)c23)cc1 36618443 GMFFXUVIARXDDR-INIZCTEOSA-N 401.466 5.473 0 40 HKAB Cc1ccc(-c2cnc(SC3CCCC3)n2-c2ccc(OC(F)(F)F)cc2)cc1 44087990 AAOGPWUTAKWISA-UHFFFAOYSA-N 418.484 6.781 0 40 HKAB Clc1ccccc1OCc1nnc(Sc2ncnc3sccc23)n1C1CC1 48264032 JWNMHXRQCRSCDH-UHFFFAOYSA-N 415.931 5.001 0 40 HKAB CCN(Cc1ccccc1)Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1 57452099 HHLXPCMEPNBYOM-UHFFFAOYSA-N 409.942 5.327 0 40 HKAB CC[C@@H](C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C(=O)OC)cc2)cc1 59498102 WBWRSQCPYIADMX-OSPHWJPCSA-N 414.505 5.758 0 40 HKAB CC1CCN(Cc2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3n2C(C)C)CC1 65322309 PPIHKEHMQWQSNM-UHFFFAOYSA-N 424.976 5.755 0 40 HKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CCCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 90377483 IVFWZYOGAYVLRF-YPEXMJEGSA-N 408.623 6.165 0 40 HKAB COc1ccc(F)cc1-c1csc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)n1 95364937 WWLOLBAKALNUOW-CMDGGOBGSA-N 424.906 5.024 0 40 HKAB CO[C@H](C)c1nc(CN(C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)cs1 95455990 YLCJPWMFEHLYTB-IAGOWNOFSA-N 406.555 5.382 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccccc3C)on2)sc2c1CC[C@H](C)C2 96319642 IDQXMLQWVMLRIN-ZDUSSCGKSA-N 424.522 5.265 0 40 HKAB Cc1noc([C@H](Sc2nnc(-c3ccco3)n2C2CCCCC2)c2ccccc2)n1 97000551 KIDHVZFQQNBBCD-LJQANCHMSA-N 421.526 5.616 0 40 HKAB Clc1cccc([C@@H]2C=C(c3ccc(Br)cc3)Nc3ncnn32)c1Cl 101070105 KGYDYFROXSGTHV-HNNXBMFYSA-N 422.113 5.403 0 40 HKAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2nc3ccccc3s2)S1 222592360 LFOKVILYKKORGS-GKCIPKSASA-N 417.563 5.071 0 40 HKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 222885490 MAQSBXONCQWMEE-QFIPXVFZSA-N 409.913 6.491 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 222939940 MZSAWTGMWWTDIO-SFTDATJTSA-N 413.558 5.426 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1Cc1ccccc1 223404068 FWBWGZCBQMZSET-BJKOFHAPSA-N 416.594 5.561 0 40 HKAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccccc1OCc1ccccc1 223705627 AJQZPZOHVXAIIC-UHFFFAOYSA-N 403.522 5.372 0 40 HKAB CCOc1ccc(Nc2cc(C)nc(NC(=S)NC3CCCCCCC3)n2)cc1 225201152 JTGSUGHQOZLUNJ-UHFFFAOYSA-N 413.591 5.327 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1 225352176 UFBJACKANPCQJZ-UHFFFAOYSA-N 420.723 7.010 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C(=O)OC 225678223 CSJVNIYMOBGKSW-GOSISDBHSA-N 409.526 5.409 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)cc1Cl 408696611 BELCVBAUXWGREE-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB CC1=CC(/C=C2\SC(=O)N(C)C2=O)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 408808119 DHMLHRYVUMQZDX-XUKJQLKWSA-N 417.530 5.835 0 40 HKAB Cc1ccc2c(Cl)c(C3=N/C(=C/c4ccc(Cl)cc4Cl)C(=O)O3)sc2c1 408845201 PKTCZZMULFGXPR-VGOFMYFVSA-N 422.720 6.514 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21)c1ccccc1 409372936 SUMGYRKREUKZNT-UKAVVXHISA-N 409.407 5.101 0 40 HKAB COc1ccc(C[C@@H]2CN(CC3CCCCC3)CC[C@H]2OCc2ccncc2)cc1 2055754585 FSADISBNAJPZHP-AOYPEHQESA-N 408.586 5.120 0 40 HKAB Cn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccc(Cl)cc1 869905 AALDCFMWJONQJN-UHFFFAOYSA-N 408.914 5.020 0 40 HKAB Cc1cc(C)c2cc(CN(C(=S)Nc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 874695 UJXMYPVCUNHKTO-UHFFFAOYSA-N 419.594 5.677 0 40 HKAB O=C(CSc1nnc(-c2cccs2)o1)N1c2ccccc2CCc2ccccc21 928225 VFIJKTLLWYGYOG-UHFFFAOYSA-N 419.531 5.354 0 40 HKAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Nc1ccc(N(C)C)cc1 955747 VCYGCOUFNCWKQX-UHFFFAOYSA-N 403.404 5.240 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1c2ccc(F)cc2CC[C@H]1C 996282 HJVXFTMOZTYNKD-LLVKDONJSA-N 419.283 6.077 0 40 HKAB COc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccc(Cl)cc4)cc3n2)cc1 1040241 AQMMVZARQOOOEH-UHFFFAOYSA-N 403.791 5.744 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCC3)cc2c1 1353028 MQRUAJICBBIUKV-UHFFFAOYSA-N 409.917 5.467 0 40 HKAB Cc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1C 1380100 BBHLFOAVBAZGRF-JOCHJYFZSA-N 422.550 5.405 0 40 HKAB CCOC(=O)C1=CN(c2cc(C)ccc2C)C=C(C(=O)OCC)C1c1cccc(C)c1 1444043 WXVLVVPAQZJTAK-UHFFFAOYSA-N 419.521 5.110 0 40 HKAB Cc1ccc(Br)cc1SCC(=O)Nc1c(C(C)C)cccc1C(C)C 1810829 YLTVQUFRVBFKCV-UHFFFAOYSA-N 420.416 6.735 0 40 HKAB CCCCC(=O)Nc1cccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c1 1861433 OQICCCZOPYUDNU-MDZDMXLPSA-N 421.324 5.783 0 40 HKAB Cc1ccc([C@@H]2C=C(Nc3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 2061305 KRLHRIGDRYCEJD-QFIPXVFZSA-N 409.316 6.386 0 40 HKAB CCCCCCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 2068917 DBOKHKXPDJDFBK-UHFFFAOYSA-N 424.324 5.748 0 40 HKAB COC(=O)Cc1c(C)c2ccc(OCc3ccc(Cl)c(Cl)c3)c(C)c2oc1=O 2149278 CYPWFMAWACXMQH-UHFFFAOYSA-N 421.276 5.011 0 40 HKAB biogenic Cc1ccc2[nH]c(SCC(=O)Nc3ccccc3Sc3ccccc3)nc2c1 3251271 YBYSZGPOFCUCPC-UHFFFAOYSA-N 405.548 5.753 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1 3647658 XJROZWDGPZVQNA-MRXNPFEDSA-N 415.493 5.729 0 40 HKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)c1 3655494 YSXURSFPNZXRDS-SFHVURJKSA-N 413.473 5.687 0 40 HKAB Cc1ccc(Cn2cc(SCC(=O)Nc3cccc(C)c3C)c3ccccc32)cc1 4059722 MTVXVMMCOCPFFI-UHFFFAOYSA-N 414.574 6.346 0 40 HKAB NC(=O)c1c(NC(=O)c2ccccc2Oc2ccccc2)sc2c1CCCCC2 4176867 CEEWFOBTAAMHFQ-UHFFFAOYSA-N 406.507 5.161 0 40 HKAB CC(C)(C)c1ccc(-c2nn3c(-c4ccccc4Br)nnc3s2)cc1 4664990 QSMNGPFMYJRGGF-UHFFFAOYSA-N 413.344 5.580 0 40 HKAB Cc1ccc(NC(=O)CCCc2ccccc2)cc1NC(=O)CCCc1ccccc1 4666619 HVDSTBHLUAUXKQ-UHFFFAOYSA-N 414.549 5.918 0 40 HKAB CC(C)[C@H]1CC[C@H](C)c2c(-c3ccc(Cl)cc3)nn(C(=O)/C=C/c3ccccc3)c21 4671448 MIVRGYYYCUHJCD-GQGHLHHRSA-N 418.968 7.194 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3ccc(C)o3)C[C@H]21 4715697 NGTNILZZVZVIOU-AUSIDOKSSA-N 408.885 5.882 0 40 HKAB CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)cc(Cl)c1OCc1ccccc1 4735036 RPAPKAGBKNXXSF-UHFFFAOYSA-N 406.869 5.221 0 40 HKAB Cc1ccc2nc(-c3ccc(-c4ccccc4Br)o3)cc(C(=O)O)c2c1 5234067 XSDOTJFDBJJPIQ-UHFFFAOYSA-N 408.251 5.931 0 40 HKAB Cc1cccc(C(C)C)c1N1COc2c(Cl)cc3c4c(c(=O)oc3c2C1)CCC4 5422636 PPUBTAKBCQWFRB-UHFFFAOYSA-N 409.913 5.723 0 40 HKAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1ccc(Oc2ccccc2)cc1 5456041 DNWPUZFARFXQAP-UHFFFAOYSA-N 410.886 5.134 0 40 HKAB CCc1nc(C)cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1 5797468 IVEUVLLORKZUFR-UHFFFAOYSA-N 404.554 5.686 0 40 HKAB biogenic CCOc1ccc([C@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCCC2)cc1 5959452 RUTINENOWYAQPV-JOCHJYFZSA-N 424.566 5.794 0 40 HKAB C[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1c3cccc4cccc(c34)[C@H]12 6175979 YZJNINMFAVGVBQ-SYTBSNSSSA-N 412.532 7.241 0 40 HKAB Cc1cc(C(F)F)nc2sc(C(=O)Nc3c(Cl)cccc3Cl)c(N)c12 6400157 ZMYKMLURSTYMAF-UHFFFAOYSA-N 402.253 5.684 0 40 HKAB CCc1ccc(C2=Nc3ccc(Br)cc3C(c3cccs3)=NN2)cc1 6821894 DIHJWFWMOQQQBN-UHFFFAOYSA-N 410.340 5.507 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nc(C)c(C)c(C)n2)c2ccccc2)c1 7252534 KLAOAAYJRUZUPH-OAQYLSRUSA-N 405.523 5.077 0 40 HKAB Cc1cc(C)c(NC(=S)NCc2cc(Cl)c3c(c2)OCCCO3)c(Cl)c1 7326413 PBNYKZYNBHJDDO-UHFFFAOYSA-N 411.354 5.258 0 40 HKAB COc1cc(C(C)=O)ccc1Oc1nc(-c2cccnc2)nc2sc3c(c12)CCC3 7983951 LLIZBJQBJXNEBN-UHFFFAOYSA-N 417.490 5.246 0 40 HKAB CCOc1cc2c(cc1CNCc1cc(Cl)c(OC(C)C)c(OC)c1)O[C@@H](C)C2 7986252 YDFVQSMIHKOMPU-HNNXBMFYSA-N 419.949 5.148 0 40 HKAB CCn1c(-c2ccccc2)c(C(=O)COc2ccc(CO)cc2OC)c2ccccc21 8183840 DUTXSKNVTUODFX-UHFFFAOYSA-N 415.489 5.091 0 40 HKAB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1c(C(C)C)cccc1C(C)C 8428145 SMJZQOOEWGWFFZ-UHFFFAOYSA-N 422.594 7.083 0 40 HKAB Cc1ccc(C(C)C)c(OCCSc2nc3cc(Br)ccc3[nH]2)c1 8715503 RJJBTRWESMAIKF-UHFFFAOYSA-N 405.361 5.928 0 40 HKAB C[C@H]1CCc2c(sc3nc(SCc4ccc(Br)cc4)[nH]c(=O)c23)C1 8897480 PWFQUIROLKJJKD-JTQLQIEISA-N 421.385 5.164 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1 9063440 OBPHEQPWWBLZJX-UHFFFAOYSA-N 404.941 5.858 0 40 HKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Cc1ccc(C(C)C)cc1 10096192 XKFUQCQJTJLIPJ-UHFFFAOYSA-N 407.535 5.896 0 40 HKAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@@H](C)c1ccccc1 12754253 KTMQJIXNZGRMKJ-HNNXBMFYSA-N 400.931 5.517 0 40 HKAB COc1ccc(C)cc1NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12 12768867 GGRDCDJSDPJQRS-UHFFFAOYSA-N 407.495 5.446 0 40 HKAB O=C(Nc1ccc(C[S@](=O)c2ccc(F)cc2)cc1)c1cccc(C(F)(F)F)c1 12956648 BUBXELWWKIBZBM-GDLZYMKVSA-N 421.415 5.405 0 40 HKAB CC(C)(C)c1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccccc2)cc1 13617661 BTZRNJOYHBNYCM-UHFFFAOYSA-N 410.517 5.673 0 40 HKAB C[C@H](CC(=O)N(C)c1ccccc1C(=O)Nc1ccccc1Cl)c1ccccc1 14189586 NCLFCULOBWTJAB-QGZVFWFLSA-N 406.913 5.749 0 40 HKAB C[C@@H]1CCc2c(sc3c2[C@H](c2ccc(OCc4ccc(F)cc4)cc2)CC(=O)N3)C1 15085276 XAYQSZHVKYOPMO-VFNWGFHPSA-N 421.537 6.065 0 40 HKAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4Cl)cc3c2C)cc1 15729497 UYEHUPCYUWXTOC-UHFFFAOYSA-N 419.864 5.887 0 40 HKAB biogenic Cc1ccc2nc(-c3ccc(CNC(=O)c4ccc(Br)o4)cc3)oc2c1 16348622 GJWYVVNTARELTL-UHFFFAOYSA-N 411.255 5.089 0 40 HKAB CCc1ccccc1NC(=O)CSc1ncc(-c2cccc(Br)c2)o1 16841072 ZPKHZZSQMNLLIM-UHFFFAOYSA-N 417.328 5.397 0 40 HKAB COc1c(Br)cc(Br)cc1C(=O)Nc1cc(C)ccc1C 17089442 SSLLPFQZJAIEEQ-UHFFFAOYSA-N 413.109 5.089 0 40 HKAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3cccc(OCC(C)C)c3)sc2c1 17089666 KYIUMYLCDYVAIQ-UHFFFAOYSA-N 413.568 5.075 0 40 HKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2)c1 17091185 RQEGOAKSSAWTCU-UHFFFAOYSA-N 417.559 5.707 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1ccc(OC(C)C)cc1)N[C@@H](c1ccc(C)cn1)C2 19216079 YZMZRXWFPQAEKP-ZEQKJWHPSA-N 418.537 5.171 0 40 HKAB CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN2Cc2ccc3ncccc3c2)n1 19689525 FUCFSAHOIUZVSH-XMMPIXPASA-N 409.537 5.095 0 40 HKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20046223 HXVLSVPUJPJWGO-NRFANRHFSA-N 407.897 5.676 0 40 HKAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(OCc2ccccc2Cl)cc1 20112743 WONCJBDAHLKRKZ-UHFFFAOYSA-N 400.305 5.845 0 40 HKAB COc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 20140030 BGNDYDHNFPCABA-UHFFFAOYSA-N 406.221 5.213 0 40 HKAB CC1(C)N=C(c2ccc(Br)cc2)C(=S)N1C(=O)c1ccc(Cl)cc1 20152270 SLYCXRUYGRHKGS-UHFFFAOYSA-N 421.747 5.111 0 40 HKAB CCCCc1ccc(-n2nc3ccc(NC(=O)c4cccnc4Cl)cc3n2)cc1 20969870 JQDXEOULAZUMOJ-UHFFFAOYSA-N 405.889 5.064 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2cc3c(cc2OCC)C[C@H](C)O3)cc1OC 21837500 GVERCUVGOUIIBJ-ZDUSSCGKSA-N 419.905 5.112 0 40 HKAB Cc1noc(C)c1CC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 24068811 KYRGBLLSUISOQR-UHFFFAOYSA-N 401.260 5.027 0 40 HKAB COC(=O)c1occc1CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 24886949 UYFOQAHYLIDOOK-UHFFFAOYSA-N 417.918 5.386 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)c1cc(=O)c2cc(Br)ccc2o1 27794852 MVYMNQALCIZVAP-UHFFFAOYSA-N 413.054 5.115 0 40 HKAB CCOc1ccc(NC(=O)Cc2csc(COc3ccc(C(C)(C)C)cc3)n2)cc1 27912795 QQLNCDHLJDDENM-UHFFFAOYSA-N 424.566 5.600 0 40 HKAB Fc1cc(CCNc2ncnc3scc(-c4ccccc4)c23)c2c(c1)COCO2 32916255 XTVAMRUGKARHNF-UHFFFAOYSA-N 407.470 5.019 0 40 HKAB C[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(OC(F)(F)F)cc4)c(N)c3cc2C1 39323719 FUGMRDDBDZWABH-SNVBAGLBSA-N 421.444 5.154 0 40 HKAB Cc1sc2nc(CN3CCCCC3)nc(-n3cnc(-c4ccccc4)c3)c2c1C 40004969 FMKKXIJKMQCSBL-UHFFFAOYSA-N 403.555 5.147 0 40 HKAB O=C(C1CCCC1)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 72359651 HLYMLVHQJDQUMD-UHFFFAOYSA-N 403.448 5.059 0 40 HKAB COc1cccc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)CCc2ccc(Cl)cc2)c1 72380383 VQGCHFVTHYEPPF-NRFANRHFSA-N 409.917 5.035 0 40 HKAB O=C(Nc1nnc(Cc2cccc3ccccc23)s1)c1ccccc1Br 95116309 FQPDYADCUPLZGG-UHFFFAOYSA-N 424.323 5.297 0 40 HKAB C[C@@]12CC3CC(NC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)(C1)C[C@@](C)(C3)C2 101213070 GPKWBQCBRYOCSB-CVRONBDISA-N 418.364 6.732 0 40 HKAB CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(O)=C2[C@@H]1c1cccnc1 101268563 WARCHNXBEVFXCH-IDISGSTGSA-N 423.516 5.960 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@H](c4ccc(Cl)cc4)C3=C(O)C2)cc1 102622066 ZZHIQAGOAHUJLR-QVKFZJNVSA-N 406.873 5.005 0 40 HKAB O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccc2[nH]ccc2c1 211132360 OQWXIYQNCZLHIA-UHFFFAOYSA-N 411.490 5.682 0 40 HKAB CC(C)c1ccc(OCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 218959162 CQUMBNLBFBZZTD-UHFFFAOYSA-N 412.382 5.545 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219339362 JYGPMUKJIGMGEB-FCHUYYIVSA-N 403.522 5.724 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(Oc2ccccc2)cc1 222715612 PLCZSQIDHVBOPD-UHFFFAOYSA-N 418.345 6.658 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccccc1Cl 222911728 ZMRAAYNNFZVGJK-NRFANRHFSA-N 420.018 5.845 0 40 HKAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223343995 OGFCWJUEBATSSR-UZLBHIALSA-N 403.950 5.815 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 224560360 YADMMEQWJBAAJD-DHIUTWEWSA-N 407.554 5.450 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1)c1ccccc1C 225322446 OCWGWAUPMBSMKE-LEYFIJQKSA-N 418.562 5.403 0 40 HKAB CC[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(C)c(C)c1 225710754 DJAHHWBSYCYTBZ-XMMPIXPASA-N 420.647 7.033 0 40 HKAB O=C(c1ccc2ccccc2n1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257271740 MZPXMJAKQZUKJA-HSZRJFAPSA-N 415.468 5.320 0 40 HKAB O=C1CS[C@@H](c2cccc(OCc3cccc(F)c3)c2)N1c1ccc(Cl)cc1 408558168 QFWOKGXFEXTBSA-QFIPXVFZSA-N 413.901 5.837 0 40 HKAB Clc1cc(NCc2ccccc2OCc2ccccc2)ccc1Br 408558969 WVZLAIPBPUNOFA-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(OCc2ccccc2)cc1 408623925 VHKBDEABMXKCKM-UHFFFAOYSA-N 405.803 6.190 0 40 HKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)(C)C)c3)oc2c1 408624855 CQKMIOWHDMMPGJ-UHFFFAOYSA-N 401.919 5.316 0 40 HKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2C(F)(F)F)cc1 408675615 JQMLSQHZYZRLBC-UHFFFAOYSA-N 422.406 5.755 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(F)cc2)cc1 408694017 HETQHWIXLDKITH-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB COc1ccc(/C=C2/N=C(c3sc4cc(C)ccc4c3Cl)OC2=O)c(OC)c1 408849459 YWGGYOKVLQBLEU-OQLLNIDSSA-N 413.882 5.225 0 40 HKAB COc1ccc(NC(=O)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 408977187 HQSHOQHRVVFODC-UHFFFAOYSA-N 424.464 5.273 0 40 HKAB O=C1S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1ccccc1Cl 409060488 WHOBADZNAZZWTC-WQRHYEAKSA-N 416.285 6.494 0 40 HKAB CCOc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 409119778 UEXWZIPRRYANAP-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB Cc1cccc(NC(=O)COc2ccccc2CNc2ccc(Cl)c(Cl)c2)c1 409206689 VTLIGDUOQVPALT-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB O=C1CS[C]2NC3=C(CCC/C3=C\c3ccc(F)cc3)[C@H](c3ccc(F)cc3)N21 409416311 LNGDBAHVYDRASI-KFGZODLXSA-N 409.481 5.153 0 40 HKAB C[C@H]1C[C@H](C)CN(C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 643893 CWVBPMKCELIABZ-RLFYNMQTSA-N 405.369 5.440 0 40 HKAB O=S(=O)(Nc1ccc(Sc2ccccc2)cc1)c1ccc2c3c(cccc13)CC2 859493 ZBIBUXYQHFIWFR-UHFFFAOYSA-N 417.555 5.890 0 40 HKAB O=C(COc1ccccc1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 932831 CPDKAQYVLFMCIK-UHFFFAOYSA-N 418.493 5.561 0 40 HKAB COc1cc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)ccc1O 1228457 GIHVLLGPBSDCRL-NEHLPSIOSA-N 402.475 5.209 0 40 HKAB O=C(c1cccc2ccccc12)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 1296059 ZRAUYGYEAHVEAD-QFIPXVFZSA-N 400.865 6.078 0 40 HKAB Cc1cc2nc([C@@H]3CCCN(C(=O)Nc4ccc(C(F)(F)F)cc4)C3)[nH]c2cc1C 1350338 RGYKVJXWMJFHKT-OAHLLOKOSA-N 416.447 5.610 0 40 HKAB CCCCCOc1ccc(/C=C/C(=O)Oc2cc(C)c(Cl)c(C)c2)cc1OC 1807935 POUURWKHBWLAPC-PKNBQFBNSA-N 402.918 6.153 0 40 HKAB Cc1cc(C)c(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c(C)c1 1837160 XKKIYHORSWYRMG-UHFFFAOYSA-N 418.924 5.721 0 40 HKAB COc1ccc(-c2noc(COc3ccc(C(C)C)cc3Br)n2)cc1 2433769 AVOBIXHRZFKGER-UHFFFAOYSA-N 403.276 5.210 0 40 HKAB C[C@@H]1C[C@@H](C)CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)C1 2714426 MRFTYVLARGHQCE-QZTJIDSGSA-N 416.956 6.223 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2N2CCCCC2)cc1 3212757 BCLBOTVTVBOFGL-UHFFFAOYSA-N 416.930 5.127 0 40 HKAB Cc1cccc(N2CCN(C(=S)Nc3ccc(SC(F)F)cc3)CC2)c1C 3273870 CZNPJMDAVCBEJE-UHFFFAOYSA-N 407.555 5.137 0 40 HKAB Cc1ccc(OCCSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 3338272 FOZQJMQRPUQQKR-UHFFFAOYSA-N 421.953 6.067 0 40 HKAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cc(F)c(F)cc1Cl 3432324 ULBICMRVNGELER-UHFFFAOYSA-N 415.849 5.153 0 40 HKAB CCn1c2ccccc2c2cc([C@@H](C)NC(=O)c3cccc(Br)c3)ccc21 3771331 JNCSPGFIYLZJMD-OAHLLOKOSA-N 421.338 6.068 0 40 HKAB CCOc1ccc(-c2csc(NC(=O)c3cccc(Oc4ccccc4)c3)n2)cc1 4031553 SCJBOJMNBCGZEX-UHFFFAOYSA-N 416.502 6.253 0 40 HKAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)c1ccc(Br)cc1 4548528 DRKKXDJQMWBTTF-SNVBAGLBSA-N 407.264 5.002 0 40 HKAB O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccccc2F)N1c1ccc(Cl)cc1 4813293 SNGQMLJBBKWJID-QFIPXVFZSA-N 403.844 5.619 0 40 HKAB O=C(Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCC2)c1ccccc1F 4953243 PDDGVZSLUNOADX-UHFFFAOYSA-N 413.901 5.903 0 40 HKAB Clc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCCO3)cc1 5020116 BINPCXSCRVQCEM-UHFFFAOYSA-N 414.852 5.060 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(F)c2)c1 5235449 XVWMWDAFAVMVOE-LADGPHEKSA-N 406.888 6.338 0 40 HKAB CCN(CC)c1ccc(N[C@@H](C(=O)c2ccccc2)c2ccc3c(c2)OCO3)cc1 5479605 UGBMNACLLOMDEK-XMMPIXPASA-N 402.494 5.298 0 40 HKAB Cc1cccc(C)c1NC(=O)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O 5943039 KKCPLLLJGDQCRB-UHFFFAOYSA-N 416.308 5.464 0 40 HKAB Cc1cc2oc(=O)cc(CSc3nnc(C)n3-c3ccccc3)c2cc1C(C)C 6109354 OXMKTWZFKJXBHZ-UHFFFAOYSA-N 405.523 5.406 0 40 HKAB COc1ccc(-c2csc(NC(=O)CSc3cc(C)c4ccccc4n3)n2)cc1 6194655 GYSCUDKNXLCHLA-UHFFFAOYSA-N 421.547 5.406 0 40 HKAB CC(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)c3ccccc32)cc1 6706662 BFVOHUZQQALTLA-HZHRSRAPSA-N 410.473 5.146 0 40 HKAB Cc1ccc2c(C)c(C(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)oc2c1C 6810599 JAKHZEHFEQVOIA-UHFFFAOYSA-N 407.897 6.447 0 40 HKAB Cc1cc(NC(=O)c2ccc(OCc3cscn3)cc2)ccc1Br 7807446 TWLPIZYXYYCKOF-UHFFFAOYSA-N 403.301 5.045 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8106058 OXBIAEFDDIYHMD-GJZGRUSLSA-N 400.931 5.123 0 40 HKAB O=C(Oc1ccc(Br)c2ccccc12)c1sc2ccccc2c1Cl 8815597 TUVUZMFSFJPSKO-UHFFFAOYSA-N 417.711 6.690 0 40 HKAB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1ccc(Cl)c(Cl)c1 9198082 QCAXAWANFNMDKN-UHFFFAOYSA-N 413.717 5.163 0 40 HKAB Cc1nc2c(ccc3nc(NC(=O)c4ccccc4Oc4ccccc4)sc32)s1 9404223 BSVIKARWIPRFNI-UHFFFAOYSA-N 417.515 6.259 0 40 HKAB C[C@@H](NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl 10997824 LUZRIYQGHZFJGG-OAHLLOKOSA-N 403.869 5.548 0 40 HKAB O=C(CSc1ccccc1Cl)N1N=C(c2cccs2)C[C@H]1c1ccco1 11481261 APRVZSWUUYASCH-HNNXBMFYSA-N 402.928 5.465 0 40 HKAB COc1ccc(OC)c(NC(=O)c2sc3nc(-c4ccc(C)cc4)ccc3c2N)c1 12250920 VSNTZSVALWJDMC-UHFFFAOYSA-N 419.506 5.123 0 40 HKAB Cc1nc(-c2ccc(CNC(=O)c3cc(Br)ccc3Cl)cc2)cs1 12614416 OCGZPGQCBYEUGS-UHFFFAOYSA-N 421.747 5.464 0 40 HKAB Cc1ccc(NC(=O)CSCC(=O)Nc2ccccc2-c2ccccc2)c(C)c1 12784383 BVVFVXIXYICSTK-UHFFFAOYSA-N 404.535 5.281 0 40 HKAB Cc1cccc(OCCCC(=O)Nc2ccccc2NC(=O)Nc2ccccc2)c1 12940031 JWGNNKHZLRWXCA-UHFFFAOYSA-N 403.482 5.437 0 40 HKAB Cc1ccc(C)c(Sc2ccc(NC(=O)CN[C@@H](C)c3cccc(Cl)c3)cc2)c1 13040176 PCUFKJWOZKYAIP-SFHVURJKSA-N 424.997 6.397 0 40 HKAB Clc1ccc2nc(CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)cn2c1 13095928 FWZWFOCGBXGITN-UHFFFAOYSA-N 417.921 6.602 0 40 HKAB C[C@]12CC[C@H](OC=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(C#Cc3ccccc3)=CC[C@H]12 13400369 AHMJMFJZNJAALU-KSGNJNBSSA-N 402.578 6.159 0 40 HKAB biogenic C[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1c(Cl)cccc1Cl 13709838 GVUDNWXCIHEQFN-LBPRGKRZSA-N 418.773 5.464 0 40 HKAB Cc1cc(Oc2ccccc2)nc(SCCOc2ccc(Cl)cc2Cl)n1 16887161 ZFHRQNJEOHITRV-UHFFFAOYSA-N 407.322 6.055 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)NCc1ccc(-c2nc3ccccc3o2)cc1 17087531 JKRURNRYRAOIIL-UHFFFAOYSA-N 406.869 5.152 0 40 HKAB O=C(c1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 19292798 VECONELGWIBAQX-SFHVURJKSA-N 401.297 5.146 0 40 HKAB CC(C)c1ccc(CCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 20451831 LBXMWUXHXFTDLF-UHFFFAOYSA-N 419.590 5.954 0 40 HKAB COc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1OC 22522387 CODCREQCGNAJQZ-UHFFFAOYSA-N 409.507 5.127 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)CN1CCN(Cc2csc3ccccc23)CC1 22932549 JUSLZLGNKNERGZ-UHFFFAOYSA-N 421.610 5.089 0 40 HKAB Cc1ccc(C)c(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CC[C@@H](C)C4)c1 23956957 RENDRTRRZQZLQY-MRXNPFEDSA-N 423.582 5.057 0 40 HKAB O=C(CCc1nc(-c2ccccc2)no1)Nc1cc(Cl)ccc1Oc1ccccc1 26364759 HNSVXHLOMBBRCF-UHFFFAOYSA-N 419.868 5.754 0 40 HKAB Cc1c(C)n(C[C@@H](O)Cn2c(C(F)(F)F)nc3ccccc32)c2c(Cl)cccc12 28297128 MNAKGXLXOVFJJS-CQSZACIVSA-N 421.850 5.341 0 40 HKAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCC3)no2)cc1C 32623335 TZODDFYWLJSTOO-JOCHJYFZSA-N 423.944 5.179 0 40 HKAB Cc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2-c2ccc(C)cc2)cc1 44086508 YWIWLVGEIWDTTB-UHFFFAOYSA-N 413.546 5.887 0 40 HKAB Nc1c(Br)cc(Br)cc1-c1nc2c(Cl)cccc2s1 45920765 IVPAURSPJRSTLR-UHFFFAOYSA-N 418.541 5.724 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078436 YKEPJKPWERWYNM-UHFFFAOYSA-N 404.897 5.494 0 40 HKAB Cc1ccccc1-n1c(C)nnc1SCc1ccc(OCc2ccccn2)cc1 48325825 CQNVPAFZBROBSJ-UHFFFAOYSA-N 402.523 5.150 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N(C)Cc2nc3ccccc3s2)c1 49651009 JEFSZEUJEXBKEN-DEOSSOPVSA-N 415.562 5.725 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c(OC)c1 57315903 VQEGSSULXNGOMC-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB CCc1ccc(O)c([C@H](C(=O)NCc2c(C)cc(C)cc2Cl)c2ccccc2)c1 59474672 XZAQSDNMGPZGMQ-XMMPIXPASA-N 407.941 5.673 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Br)cc2F)cc(C)c1Cl 64985003 XQLLQPRQTWDTPV-NSHDSACASA-N 400.675 5.264 0 40 HKAB Cc1nc(CN2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc2ccccc12 72308405 QIAHVRGHZQMYSK-JOCHJYFZSA-N 412.537 6.054 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 72358019 CRQWIRNAVRCJED-RUZDIDTESA-N 413.496 5.199 0 40 HKAB CCOc1ccc(N(C(=O)[C@H]2CSCCS2)c2nc3ccccc3s2)cc1 78239570 FCBHUDADDPHSJL-GOSISDBHSA-N 416.593 5.208 0 40 HKAB CC(C)(C)c1cc(NC(=O)c2cc3ccccc3c(Cl)n2)n(-c2ccccn2)n1 84241155 VENOHXGGYPAGST-UHFFFAOYSA-N 405.889 5.019 0 40 HKAB CC(=O)Nc1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 84796786 XXRRMHJFHOWNTA-LJQANCHMSA-N 405.420 5.423 0 40 HKAB O=C1S/C(=C\c2cc(Cl)c(O)c(Br)c2)C(=O)N1c1ccccc1 96472563 HSERMQDTZAICPH-JYRVWZFOSA-N 410.676 5.049 0 40 HKAB COc1cccc(-c2ccc(CNCC3(c4cccc(F)c4)CCOCC3)cc2)c1 141531927 PPQLKNNZMWXTOR-UHFFFAOYSA-N 405.513 5.339 0 40 HKAB CCc1nnc(S/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)O)o1 213414632 IRVUGEBTIXIWMV-BOPFTXTBSA-N 416.886 5.082 0 40 HKAB COc1ccc(S[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OC 216278547 ILNBRPURLGXZNY-LJQANCHMSA-N 421.562 5.413 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1 222683563 DMALTWVOMNOPTE-UHFFFAOYSA-N 414.423 5.915 0 40 HKAB CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1 222937260 BTEQNZFJWJQBPA-PKTZIBPZSA-N 421.566 5.369 0 40 HKAB COc1ccc(-c2ncc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)c(C)n2)cc1 223141865 YUANYUVDUOIKLR-UHFFFAOYSA-N 422.699 5.673 0 40 HKAB CC(C)(Cc1ccccc1)NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 223528310 BUCFLBKEJABGHL-UHFFFAOYSA-N 419.396 5.343 0 40 HKAB Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224158766 XTLHYQFMEUYORJ-ZEQRLZLVSA-N 410.546 5.358 0 40 HKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 224227811 UFVXYWUNGLPFAR-VWLOTQADSA-N 420.597 5.021 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1cc(C)cc(C)c1C 224274860 WTANHCFUOHMXMH-FQEVSTJZSA-N 403.522 5.690 0 40 HKAB CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 224460765 DZHAWXSJYBYTIH-WOJBJXKFSA-N 410.974 5.469 0 40 HKAB CCSc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1 224663785 ZXHRRMXHCQFQAH-HKWRFOASSA-N 406.507 5.110 0 40 HKAB CCOc1ccccc1NC(=S)NCCSCc1ccc(Cl)c(Cl)c1 225344389 KZYFSZNXPHTBIS-UHFFFAOYSA-N 415.411 5.612 0 40 HKAB Fc1cccc(F)c1NC(=S)NC1(c2cccc(C(F)(F)F)c2)CCCC1 225860140 DOXLGKVBKWMWOD-UHFFFAOYSA-N 400.416 5.740 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c2cccnc12 225862560 GNLXBFCVMBPGGH-UHFFFAOYSA-N 406.501 6.003 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c2cccnc12 225863717 ZWUPRZCTXVAZJP-UHFFFAOYSA-N 408.929 6.128 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)N1CC[C@@H](Oc2cccc3cccnc23)C1 252533140 FYTOSCJOEQWZQJ-MRXNPFEDSA-N 415.320 5.154 0 40 HKAB CC(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)cc1 253497918 ZONPAOQEAXCIKO-YGIBOUEKSA-N 422.653 6.568 0 40 HKAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3ccc(C)c(F)c3)CC2)n1 257224893 FDVWUUMKYYBMKM-UHFFFAOYSA-N 407.489 5.075 0 40 HKAB Fc1cnc(Nc2ccc(Cl)c(Cl)c2)nc1Nc1ccc(Cl)c(Cl)c1 408545502 ZHULVAPQANJFPA-UHFFFAOYSA-N 418.086 6.717 0 40 HKAB O=C(O)/C(=C/c1ccccc1OCc1ccc(F)cc1)Sc1nc2ccccc2[nH]1 408632691 GXXBORQVSSIXHC-BKUYFWCQSA-N 420.465 5.499 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(Cl)cc3)n2)cc1 408696503 AHICRROMTJVOKC-UHFFFAOYSA-N 416.912 5.711 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)C1CCN(C(=O)c2cccc(Cl)c2)CC1 409023319 JFUQIIWFDVRUHN-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB Clc1cc(CNc2ccccc2)ccc1OCc1ccc(Br)cc1 409119027 VNPMZQPJFOVJFE-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB CCc1cccc2c(/C=C3\SC(=O)N(CC(C)C)C3=O)cn(Cc3ccccc3)c12 409129368 GGKDDNHAQZZZSK-XKZIYDEJSA-N 418.562 5.944 0 40 HKAB Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3o2)c1 1413899 BBIFPBGCQKPCRD-UHFFFAOYSA-N 405.454 5.069 0 40 HKAB COc1cc(Br)c(-c2ccc3cc(OC)c(OC)cc3c2O)cc1OC 1426988 NACIHWZXEUIYKU-UHFFFAOYSA-N 419.271 5.009 0 40 HKAB CCCCc1ccc(Nc2nc3ccccc3nc2Nc2ccc(CCCC)cc2)cc1 1791928 GYBBUTFDXVXJEY-UHFFFAOYSA-N 424.592 7.802 0 40 HKAB CCCCCCOc1ccc(/C=C/C(=O)Nc2nc(C)c(C(C)=O)s2)cc1OC 1904316 RPSLDIUWIYFAEG-ZRDIBKRKSA-N 416.543 5.274 0 40 HKAB Cc1cccc(C)c1OCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 2304287 STKFPXAFKDQWBM-UHFFFAOYSA-N 418.924 5.803 0 40 HKAB CCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1Cl 2320059 NVMVSOGQOAGSAB-SHSPXAOASA-N 401.937 6.602 0 40 HKAB CC[C@H](C)COC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 2388277 LSNKIWHEOLASFC-INIZCTEOSA-N 416.525 5.482 0 40 HKAB CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1ccc(C(F)(F)F)cc1 2721900 ODCOALNUDOUVMM-UHFFFAOYSA-N 407.417 5.172 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(COc2ccc(Cl)cc2)cc1 2756372 DOKQETQLMVCKOL-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB Cc1ccc(-c2c3c(nc4sc(C(=O)c5cccs5)c(N)c24)CCCC3)cc1 2925000 NEENBYRHQLDJOX-UHFFFAOYSA-N 404.560 6.025 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)cc1 3224924 FYKNBEYWUSJEGO-IBGZPJMESA-N 424.500 5.244 0 40 HKAB CCS(=O)(=O)c1ccc2oc(SCc3csc(-c4ccccc4)n3)nc2c1 3236618 ICTRKRRBEWTOKX-UHFFFAOYSA-N 416.549 5.037 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccccc2)cc1 3269809 DCAQYNIBCDRWPS-UHFFFAOYSA-N 420.563 5.094 0 40 HKAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 3338546 QMQVKULTIJQSCR-SFHVURJKSA-N 409.982 6.383 0 40 HKAB CC(C)c1ccc(Nc2nnc(SC(=O)c3ccc(C(F)(F)F)cc3)s2)cc1 3425712 VAALXUSXCANNEV-UHFFFAOYSA-N 423.485 6.356 0 40 HKAB Cc1cc(OCC(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)ccc1Cl 3655508 ZXDXWNQHVFBFIH-UHFFFAOYSA-N 419.864 5.643 0 40 HKAB O=C1c2ccccc2N[C@@H](c2ccccc2Cl)N1c1ccc(Br)cc1 3664239 CXGMTHFIKVHDJJ-LJQANCHMSA-N 413.702 5.874 0 40 HKAB Clc1cc2nc(SC(c3ccccc3)c3ccccc3)oc2c2ncccc12 4091229 CCOUIUDTYMJTRY-UHFFFAOYSA-N 402.906 6.911 0 40 HKAB O=C(/C=C/c1ccccc1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 4616715 LZWIZEPFVZMUHW-UUKUFSIRSA-N 418.540 6.523 0 40 HKAB O=c1nc(SCc2cccc3ccccc23)c2c(n1Cc1cccnc1)CCCC2 5264392 CLJVLZJVFAOHRN-UHFFFAOYSA-N 413.546 5.011 0 40 HKAB CC(C)CC[C@H](CCNCc1ccc(OC(C)C)cc1)c1ccc(OC(C)C)cc1 5296848 FSMAYSRFZZKQCJ-RUZDIDTESA-N 411.630 6.961 0 40 HKAB Cc1ccc(C(=O)C[C@@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)c2ccccc2)cc1 5543441 HOSABUCFAHLBTK-AZGAKELHSA-N 414.545 6.477 0 40 HKAB COc1cccc(-c2nc(Oc3cc(C(C)C)ccc3C)c3ccccc3n2)c1O 5555498 BAYMRMHYZUHBJF-UHFFFAOYSA-N 400.478 6.235 0 40 HKAB Cc1cc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)cc(C)c1Br 5577739 CHHCHFDZBHHLJO-QRQLOZEOSA-N 412.327 5.139 0 40 HKAB Cc1c(Cl)ccc2c(C(=O)Nc3ccc(Cl)cc3)cc(-c3ccccc3)nc12 5881675 SFROEDJLMAKGRM-UHFFFAOYSA-N 407.300 6.769 0 40 HKAB CCCCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 6203766 WKTHXIJUHUHKJE-UHFFFAOYSA-N 414.619 5.366 0 40 HKAB CCOc1ccccc1OCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 6218356 HAYAMJFUOQNJOW-UHFFFAOYSA-N 410.451 5.079 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 6653042 OPDMDJVWOKBUQY-ZDUSSCGKSA-N 414.292 5.132 0 40 HKAB O=C(Nc1ccccc1)C1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 6850679 YKFGEMUFWHWVJH-UHFFFAOYSA-N 414.534 5.213 0 40 HKAB CCOc1ccc2ccccc2c1C[C@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O 6964724 HNQVIJNGSPFVJC-HXUWFJFHSA-N 411.910 5.703 0 40 HKAB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 7928258 YLCJCYSCCWIISX-KRWDZBQOSA-N 420.896 5.432 0 40 HKAB COc1ccc(Cl)cc1-c1nn(CN(Cc2ccc(F)cc2)C2CC2)c(=S)[nH]1 8151420 AETJQWMNRVGEJJ-UHFFFAOYSA-N 418.925 5.031 0 40 HKAB O=C(CN(C1=NCCCCC1)c1ccc(OC(F)F)cc1)c1ccc(Cl)cc1 8418630 FXOLTOIXACIKDM-UHFFFAOYSA-N 406.860 5.603 0 40 HKAB CCn1c(Sc2ncnc3c2sc2nc(C)cc(C)c23)nnc1-c1cccs1 8637264 XCPICRBGBITVFN-UHFFFAOYSA-N 424.580 5.347 0 40 HKAB O=C(COc1ccccc1F)Nc1ccc2nc(SCc3ccccc3)sc2c1 8673805 DTKVUSCHBVIQGE-UHFFFAOYSA-N 424.522 5.745 0 40 HKAB Cc1ccccc1-n1c(-c2sc(Nc3ccccc3)nc2C)nc2ccccc2c1=O 8715545 SBZNIFMIWIDIJO-UHFFFAOYSA-N 424.529 5.870 0 40 HKAB Cc1ccc(OCc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1C 8769309 ZDZLLJINUOPJEA-UHFFFAOYSA-N 423.325 5.685 0 40 HKAB Cc1cc(NC(=O)[C@@H](SCCCOc2ccc(F)cc2)c2ccccc2)no1 9449196 CMDKYQAABIFXGD-FQEVSTJZSA-N 400.475 5.004 0 40 HKAB O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1cc(F)c(F)c(F)c1F 9451891 BNMNSTQBGMTOAR-UHFFFAOYSA-N 408.348 5.420 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)cc(=O)c3c2)cc1 9660171 HVSQCFOOKKTTLS-UHFFFAOYSA-N 411.501 6.318 0 40 HKAB biogenic COc1ccc(Cl)cc1NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 10236768 AVRWZBKWKLADRI-UHFFFAOYSA-N 415.877 5.045 0 40 HKAB CCOc1ccc2c(=O)c(-c3ccccn3)c(/C=C/c3c(F)cccc3Cl)oc2c1 12517557 NCQZLJBHUAVDKJ-VAWYXSNFSA-N 421.855 6.217 0 40 HKAB COc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 12612176 XGPRQIDRAUHWMI-GDNBJRDFSA-N 406.294 5.189 0 40 HKAB O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1Oc1ccccc1 12798368 GJLXFWOPMBXEEJ-UHFFFAOYSA-N 415.276 5.154 0 40 HKAB Cc1ccc(-c2nc(NC(=O)c3ccn(C)c(=O)c3)sc2-c2ccc(C)cc2)cc1 12849778 IXQLTZWTQQGSCL-UHFFFAOYSA-N 415.518 5.045 0 40 HKAB O=C(OCc1nc2ccccc2s1)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 13018266 RVYHJBNVVDSMKR-GOOCMWNKSA-N 405.610 5.342 0 40 HKAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCCCC2)C(=O)c1c[nH]c2ccccc12 13039485 ONSFZEPQYCGGAL-INIZCTEOSA-N 412.489 5.413 0 40 HKAB CN(Cc1ccccc1Cl)Cn1nc(-c2ccncc2)n(-c2ccccc2)c1=S 13073800 NTSLSMCAVQNEEP-UHFFFAOYSA-N 421.957 5.208 0 40 HKAB CCOc1ccc2[nH]c(=O)c(CNc3cc(-c4ccccc4)ccc3OC)cc2c1 13086668 XJNQBZRXRBCUEN-UHFFFAOYSA-N 400.478 5.215 0 40 HKAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(C(F)(F)F)cc1 14850685 LJDDWFAJOAXACH-UHFFFAOYSA-N 410.392 5.441 0 40 HKAB CN(c1ccccc1)c1ccc(C(=O)c2ccc(N(C)c3ccccc3)s2)s1 16188818 DXUZTSFYQWDTHG-UHFFFAOYSA-N 404.560 6.576 0 40 HKAB Fc1ccccc1CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 16449521 MLKFIXIMZNXTOH-UHFFFAOYSA-N 404.312 6.044 0 40 HKAB Cc1csc([C@@H](Cc2cccs2)NCc2ccccc2OC[C@@H]2CCCO2)n1 19240106 HJAWLDKVUCKHEA-AZUAARDMSA-N 414.596 5.144 0 40 HKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NCc1ccc(C(=O)O)cc1 20151116 OTIBHMATBMNREX-SOFGYWHQSA-N 416.260 5.281 0 40 HKAB O=C(CCc1ccccc1Cl)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 22185264 UXAUQRMIRFIPRW-UHFFFAOYSA-N 410.823 5.279 0 40 HKAB COc1ccc([C@@H]2CCCCCN2CCC(=O)Nc2c(Cl)cccc2Cl)cc1 22199940 LTEPCWJCEKRYME-FQEVSTJZSA-N 421.368 5.948 0 40 HKAB CCc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1 23119178 MOROBDUULGLPER-UHFFFAOYSA-N 422.941 5.343 0 40 HKAB Clc1ccc2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1[C@H](c1cccs1)O2 27521382 YQWFXWDKBISWTO-QPPBQGQZSA-N 416.933 6.797 0 40 HKAB COc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c2ccccn2)cc1 27989681 WOTSVRANKIPAPP-QGZVFWFLSA-N 410.901 5.053 0 40 HKAB CC(=O)OC/C=C(/CC/C=C(\C)CC/C=C(/CCC=C(C)C)C(=O)O)COC(C)=O 31158560 HIKQPXPTFKUOGM-POVULIOGSA-N 420.546 5.303 0 40 HKAB biogenic,in-vitro Cc1cc(C)c(Cn2c([C@@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)c(C)c1 31903635 XURNRRNGWIBIGW-JOCHJYFZSA-N 423.560 5.839 0 40 HKAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 35264080 MEBHTBSEVOSDOL-INIZCTEOSA-N 422.912 6.022 0 40 HKAB CC[C@@H]1CCc2c(c(-c3ccc(F)cc3)nc3c(-c4ccc(Cl)cc4)c(C)nn23)C1 35325637 FKYQAJWILBBXQX-MRXNPFEDSA-N 419.931 6.679 0 40 HKAB COc1c(Br)cc(Br)cc1CNc1ccc(C)c(Cl)c1 37188453 WNXOLNYWYIXSKS-UHFFFAOYSA-N 419.544 5.794 0 40 HKAB Cc1cc(OCC(=O)N[C@H](CC(C)C)c2ccccc2)cc(C)c1Br 44883883 PSJDOFXHSHHZPU-LJQANCHMSA-N 404.348 5.348 0 40 HKAB CN(Cc1ccccc1NC(=O)c1cnc(-c2ccccc2)nc1)C1CCCCC1 48308950 RVFHDQRLVDCVLU-UHFFFAOYSA-N 400.526 5.160 0 40 HKAB Cc1cccc(NC(=O)c2cn(Cc3ccc(NC(=O)C4CCCCC4)cc3)cn2)c1 49422203 GOKQGEBFNWZWCX-UHFFFAOYSA-N 416.525 5.011 0 40 HKAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(Oc2ccccc2)cc1 51364467 BHHTVFWMPPFECG-QHCPKHFHSA-N 422.484 5.637 0 40 HKAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1ccc(Cl)cc1 57487268 ZWCLTUZZBLIYBA-UHFFFAOYSA-N 413.264 5.151 0 40 HKAB Cc1cccc(Cl)c1NC(=O)CSc1nccn2nc(-c3cccs3)cc12 67290210 LWMVYRMFDLOBFB-UHFFFAOYSA-N 414.943 5.150 0 40 HKAB COc1ccc([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCCCCC2)cc1OC 71286432 MXXFFOSPMCACRN-IBGZPJMESA-N 401.532 5.387 0 40 HKAB COc1ncccc1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C(C)C)o1 72305884 IDGYOIWIAWUYQP-SFHVURJKSA-N 406.486 5.238 0 40 HKAB C[C@H](CNC(=O)CCCCc1nc2ccccc2s1)c1nc2ccccc2s1 84638321 OTBYTIZZOUOGQN-OAHLLOKOSA-N 409.580 5.539 0 40 HKAB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 97976245 FXWAFDROLPRQFL-IGHOWCTLSA-N 414.674 6.382 0 40 HKAB Cc1ccc(NC(=O)NC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1NC(=O)NC[C@H]1C[C@@H]2CC[C@@H]1C2 100934912 FCHPHCIYHHHYAK-OWQNAKTJSA-N 424.589 5.110 0 40 HKAB COc1ccc(/C=C2/CCCC3=C2N=C(SC)N[C@@H]3c2ccc(OC)cc2)cc1 103145326 NMVYRRAIZSWJQY-JVCJXORTSA-N 406.551 5.589 0 40 HKAB CCCC[Sn](CCCC)(CCCC)CC(C)(C)c1ccccc1 195765558 RCDGVCGQYUMXSO-UHFFFAOYSA-N 423.273 7.813 0 40 HKAB C[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1)c1ccccc1 223075132 SXEPYRKCXDMYCD-KRWDZBQOSA-N 418.924 5.424 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1C1CCCCC1 223082162 DAJCWOSVQDGLGR-SJORKVTESA-N 422.417 5.211 0 40 HKAB Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 223114033 FWVPCIHKSWQEJF-GOTSBHOMSA-N 421.541 5.786 0 40 HKAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc3ccccc23)c1 223933200 DOSGHZADMJPBBV-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1c1ccc(Cl)cc1 224453601 LNCLMVBRMVAPGT-DLBZAZTESA-N 406.363 5.627 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1cccc(C)c1 224462307 UAHSXVUEAORQAL-OAQYLSRUSA-N 417.549 5.724 0 40 HKAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 224530480 ZOOQRSOYDHMQSL-UHFFFAOYSA-N 415.902 5.093 0 40 HKAB C[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C(C)(C)C)cc1 225405326 KAQZNLNGUHINQR-GFCCVEGCSA-N 414.924 6.704 0 40 HKAB Cc1cc(NC(=S)NC2(c3ccccc3Cl)CCCC2)ccc1Br 225854029 OFWMINIWWDQNFN-UHFFFAOYSA-N 423.807 6.167 0 40 HKAB CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(OC)c(C)c1 260764706 LKRLKZUTVXYBTG-UNMCSNQZSA-N 414.977 5.137 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@]12C 390822440 YEYCQJVCAMFWCO-HDPIFEAJSA-N 414.674 7.569 0 40 HKAB CCOc1cc(C(=O)Nc2cccc(O)c2)cc(Cl)c1OCc1ccc(C)cc1 408555164 VYDDUCPEOSGCJJ-UHFFFAOYSA-N 411.885 5.584 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cc(Cl)cc(Cl)c1 408571440 BDDATZYUXNFKJA-VQHVLOKHSA-N 417.317 5.780 0 40 HKAB COc1ccc(Br)c2c1-c1nc(Nc3ccccc3Cl)sc1CC2 408899203 OAICSBABTVVTRB-UHFFFAOYSA-N 421.747 6.077 0 40 HKAB Cc1c(Cl)cccc1NCc1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 409109644 IRCPKAVVYMCFBB-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB CCOc1ccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 409118775 ODVFTKVOASOFAM-UHFFFAOYSA-N 415.892 6.078 0 40 HKAB Cc1ccc(Cl)cc1NCc1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 409121531 XROMDGZSSTTZMP-UHFFFAOYSA-N 424.730 7.285 0 40 HKAB CC(C)Cn1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c2ccccc21 409127680 QUXNWEKYJNBDSJ-JAIQZWGSSA-N 410.926 6.192 0 40 HKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc(Cl)c3)n2C)cc1 409198704 JYKDJJVNWIMJRE-LCUIJRPUSA-N 418.949 6.124 0 40 HKAB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1[C@@H](C)Oc1ccccc1 409341894 ALQCJADBFWBQSU-GOSISDBHSA-N 424.570 5.094 0 40 HKAB Cc1c(Cl)cccc1NC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1 976859 ZADUKXNRBSHTLP-UHFFFAOYSA-N 402.885 5.213 0 40 HKAB Cc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCCC4)cc1 1305210 UGQCOPMCBXITCA-UHFFFAOYSA-N 417.534 5.968 0 40 HKAB COc1cccc(Sc2c(C(=O)Nc3ccc(Cl)cc3)c3ccccc3n2C)c1 1393060 CJVFCMULUWBSCO-UHFFFAOYSA-N 422.937 6.244 0 40 HKAB Fc1ccccc1C(Nc1nc2ccccc2s1)Nc1nc2ccccc2s1 1583577 LUBIERRGJRMOAG-UHFFFAOYSA-N 406.511 6.268 0 40 HKAB SC1=NC2=C(CSC/C2=C/c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1 1643682 CQMQYXXDMVGBTN-GIIHOQTISA-N 419.402 6.008 0 40 HKAB CC(C)COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 1857808 KCUFMPKOOGDJCW-UHFFFAOYSA-N 420.475 5.983 0 40 HKAB CCCCCCOc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 1973167 CRHLMNBPPSZXSB-UHFFFAOYSA-N 403.906 5.403 0 40 HKAB COc1ccc(Oc2coc3cc(OCc4cc(C)ccc4C)ccc3c2=O)cc1 2108290 YFBFQTGISIKPSF-UHFFFAOYSA-N 402.446 5.790 0 40 HKAB biogenic CCOc1ccc2nc(SCC(=O)n3c4ccccc4c4ccccc43)sc2c1 2183205 XODFAIYDYULZAA-UHFFFAOYSA-N 418.543 6.235 0 40 HKAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccc(Cl)cc4Cl)nc32)c(C)c1 2407322 PNNGDKYSBSBPIG-UHFFFAOYSA-N 409.280 5.054 0 40 HKAB COC(=O)c1c(-c2cccc3ccccc23)csc1NC(=O)c1c(F)cccc1F 2767970 RAAAIJWCJFVGLR-UHFFFAOYSA-N 423.440 5.885 0 40 HKAB CCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCCC3)cc1 2767993 VJSHSTUQENIHLD-UHFFFAOYSA-N 401.528 5.235 0 40 HKAB COC(=O)c1ccc(CSc2nc(C)nc3scc(-c4cccs4)c23)o1 3451286 LBUOAVSIDLHCMX-UHFFFAOYSA-N 402.522 5.400 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3cc(C)cc(C)c3)nc2c1 4554946 MABLJIXZQGTHJU-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB CCOc1ccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1 5021702 XRZMLLUNLCWVTH-UHFFFAOYSA-N 400.869 5.688 0 40 HKAB CCc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)cc1 5235892 SVSWHZJOFXOCGP-HXUWFJFHSA-N 413.496 5.307 0 40 HKAB CC(C)(C)c1cnnn1-c1ccc(C2=NN(c3ccccc3)[C@H](c3ccco3)C2)cc1 5445544 GJURUUGVNDPSBR-QFIPXVFZSA-N 411.509 5.514 0 40 HKAB Fc1ccc(Oc2nc(Oc3ccc(F)cc3)nc(Oc3ccc(F)cc3)n2)cc1 5769880 TYHKTTWKMHAJHB-UHFFFAOYSA-N 411.339 5.666 0 40 HKAB CCOP(=O)(OCC)/C(=N\Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 5953329 GACKBYYMSXEQRQ-ULJHMMPZSA-N 418.327 5.884 0 40 HKAB CCOc1c(Br)cc(C(=O)Nc2ccc3ccccc3c2)cc1OC 6152840 PRQBKAHYGRESCB-UHFFFAOYSA-N 400.272 5.262 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 6615557 FSDTYEDXSVVIFI-UHFFFAOYSA-N 406.913 6.142 0 40 HKAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccc(F)cc1 6847617 AMUDQWMHQOLXCP-HNNXBMFYSA-N 401.576 6.428 0 40 HKAB Cc1c(C(=O)N2c3ccc(F)cc3CC[C@@H]2C)oc2c1C1(CCC2)SCCS1 7156891 NYQDOFSAIMVLBM-ZDUSSCGKSA-N 417.571 5.678 0 40 HKAB O=C([C@H]1CCCO1)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2Cl)cs1 8074237 BAEJOQIHGDCSCO-LJQANCHMSA-N 416.905 5.315 0 40 HKAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](C)c2cc3ccccc3o2)cc1 8428120 ZPPXXWVZIQQIJB-MRXNPFEDSA-N 404.466 5.037 0 40 HKAB CCc1ccc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(C(=O)O)cc2)cc1 8595555 MKTGXEHXRMZICT-XMMPIXPASA-N 423.472 5.087 0 40 HKAB Cc1ccccc1NS(=O)(=O)c1ccc(Oc2ccc(Br)cc2)cc1 8780089 KZXWCQNSOQTKGF-UHFFFAOYSA-N 418.312 5.351 0 40 HKAB O=S(=O)(c1ccccc1)c1nc(-c2ccccc2Cl)oc1NCc1ccco1 8844632 ZMWYBLMAPUFMAJ-UHFFFAOYSA-N 414.870 5.033 0 40 HKAB Cc1c(CCC(=O)NC2CC2)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12 9347952 FSRGTWXPXFWWJC-UHFFFAOYSA-N 421.880 5.379 0 40 HKAB Cc1ccc(C(=O)OCc2csc(-c3ccccc3)n2)cc1NC(=O)c1ccco1 9588021 KRHXXHULPJQNDN-UHFFFAOYSA-N 418.474 5.321 0 40 HKAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 9597806 GEHHJEDDHQDQPD-UHFFFAOYSA-N 424.863 5.248 0 40 HKAB CC(C)[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cccs1 9614172 CQFPVJJGEOMSHW-QFIPXVFZSA-N 416.550 5.182 0 40 HKAB C[C@@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)Nc1ccc(F)cc1F 10262306 JESWEEBNQLETAG-HNNXBMFYSA-N 406.436 5.529 0 40 HKAB Cc1cc(I)ccc1NC(=O)CCc1ccc(C(C)C)cc1 10336199 VNOSWQPIVAZTOO-UHFFFAOYSA-N 407.295 5.294 0 40 HKAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)o2)cc1 11256057 LALVOZVJQCVDJA-UHFFFAOYSA-N 423.900 5.002 0 40 HKAB Cc1cc(OCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)ccc1Cl 11667260 YCPXIGGOAIBSJA-MRXNPFEDSA-N 423.900 5.161 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC(C)C)cc2)cc1 12437305 YYEWOFWMPKYEEY-AOYPEHQESA-N 414.505 5.725 0 40 HKAB CC(C)COC(=O)Nc1cccc(C(=O)c2cccc(NC(=O)OCC(C)C)c2)c1 12811918 WDYIGOWSFITXFY-UHFFFAOYSA-N 412.486 5.327 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2)c1C 14405551 LFURCJZNIAGJRJ-UHFFFAOYSA-N 424.932 5.458 0 40 HKAB CC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 16757795 MUUAETUNIIXBPL-HNNXBMFYSA-N 407.926 5.811 0 40 HKAB Cc1c(C)c2ccc3c(c2oc1=O)CN(CCc1ccc(Cl)cc1Cl)CO3 20610339 IFYDEOUJZMWMHG-UHFFFAOYSA-N 404.293 5.111 0 40 HKAB biogenic COc1ccc(Cl)cc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 22258050 DDIHEJSNPFIHII-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB COC(=O)c1c(C)[nH]c(-c2ccccc2Cl)c1[C@H]1C(=O)Nc2c(Cl)cccc21 32093747 NOPNTKBBQXQAPO-INIZCTEOSA-N 415.276 5.168 0 40 HKAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cc(-c3cccc(F)c3)no2)cs1 33162505 WUYPDWANGLINGU-UHFFFAOYSA-N 405.454 5.116 0 40 HKAB CC(C)[C@@H](O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34023840 IOWMKBFJCNLRTC-ZPHLPICOSA-N 402.663 6.360 0 40 HKAB biogenic Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)c(F)c2)o1 36352203 VCNYDSVIWOARLV-RXVVDRJESA-N 400.812 5.762 0 40 HKAB CCOc1c(Br)cc(Br)cc1CNc1ccc(OC)cc1 37216168 MBDOPKBHMZZGOT-UHFFFAOYSA-N 415.125 5.231 0 40 HKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccc(Cl)cc1 41303048 SLKLOBQWGXVOPF-INIZCTEOSA-N 405.991 5.454 0 40 HKAB O=C(NCc1ccc(CN2CCCCC2)cc1)/C(=C/c1ccccc1)c1ccccc1 44873425 HRGCYIUVFGOAPM-NHFJDJAPSA-N 410.561 5.530 0 40 HKAB O=c1[nH]c2cc3c(cc2cc1CNc1ccc(N2CCc4ccccc4C2)cc1)CCC3 57718565 WMTFNWDMRABMQX-UHFFFAOYSA-N 421.544 5.192 0 40 HKAB O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(NCc2ccccc2)c(Cl)c1 58015713 AEMWGBUVYYEGSS-UHFFFAOYSA-N 409.873 5.003 0 40 HKAB Cc1cc(SCC(=O)Nc2ccc(Cl)cc2F)nc(-c2ccc(F)cc2)n1 67257177 BQKXRELZTTUPET-UHFFFAOYSA-N 405.857 5.114 0 40 HKAB CCCCOc1ccc(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)[nH]n2)cc1 72331567 NIFMRQSOYARVPL-UHFFFAOYSA-N 417.431 5.204 0 40 HKAB O=C1N=C(Nc2ccc(F)c(F)c2)/C(=C/c2cccc(Oc3ncccn3)c2)S1 72400945 BCMSXLYJFDRLPM-YVLHZVERSA-N 410.405 5.265 0 40 HKAB Oc1ccc(Cl)cc1-c1ccnn1C1CN(C(c2ccccc2)c2ccccc2)C1 75629675 MAOKFVDWJYFJAC-UHFFFAOYSA-N 415.924 5.555 0 40 HKAB COc1ccccc1/C=C1/CCC[C@@H]2C1=NN(c1ccccc1)[C@H]2c1ccccc1OC 83976131 XBAGCNXOKBXQSH-MUNNHJJLSA-N 424.544 6.505 0 40 HKAB C[C@H](NC(=O)c1sc2ccccc2c1C[S@](C)=O)c1ccc2ccccc2c1 89905134 AOECQIVRTWITAH-OHZJNBGDSA-N 407.560 5.424 0 40 HKAB CCc1ccc(C2=NN(C(C)=O)[C@H](c3cc4ccc(OC)cc4nc3Cl)C2)cc1 95115946 YSBQDLHSWAVJEG-QFIPXVFZSA-N 407.901 5.157 0 40 HKAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)c1ccc(Cl)cc1 96306356 XNEOIHPIPXSFLU-UHFFFAOYSA-N 414.861 5.852 0 40 HKAB O=C1[C@]2(c3ccccc3)CC[C@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 104183248 KBHZYJSOIZMZOX-CONSDPRKSA-N 412.532 6.850 0 40 HKAB Fc1ccc(COc2ccc(Br)cc2CNc2ccc(Cl)cc2)cc1 107027716 CWDNSTSRQXTZQC-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118932459 XANNAGNXGOOWOX-LKHYOGBDSA-N 415.750 8.038 0 40 HKAB O=C(CSc1nc2ccccc2s1)Nc1ccccc1-c1cn2ccccc2n1 206897793 VBJKBXUBZRPOOM-UHFFFAOYSA-N 416.531 5.342 0 40 HKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2c(F)cccc2Cl)C1=O 215268698 XAINZUZIUYKOCJ-OTGIAGGSSA-N 419.905 5.893 0 40 HKAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)c1ccc(Cl)cc1F 223912801 NSUAVLXBXUMQBY-UHFFFAOYSA-N 401.869 5.099 0 40 HKAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1cccc2ccccc12 224306235 SANKPJFAWMVPMB-UHFFFAOYSA-N 423.512 5.626 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COCc1ccccc1 224357423 CTFTVHFNDXZLSX-FQEVSTJZSA-N 403.522 5.163 0 40 HKAB C[C@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)C1 225503619 CIJHGXXGYUNNPS-NRFANRHFSA-N 406.570 5.248 0 40 HKAB COc1cccc(OC)c1CCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 225995870 QTZWXOAJECTRJB-UHFFFAOYSA-N 411.885 5.721 0 40 HKAB Cc1ccc2cc(C(=O)N3CCC[C@H](c4ncc(Cc5ccc(F)cc5)o4)C3)[nH]c2c1 257314394 UWTMETVHWUUXDY-IBGZPJMESA-N 417.484 5.214 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(OCc3ccc(C)cc3)c(OCC)c2)cc1 408552541 JKIBABQPDGCDRB-UHFFFAOYSA-N 405.494 5.624 0 40 HKAB COc1ccc(CNC(=S)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 408571249 AQQKXWSLMAGWMQ-UHFFFAOYSA-N 415.917 5.532 0 40 HKAB Cc1ccc2c(Cl)c(C3=N/C(=C/c4ccc(Br)o4)C(=O)O3)sc2c1 408839221 OYGKMKYUWWEZAT-YRNVUSSQSA-N 422.687 5.563 0 40 HKAB Cc1c(Cl)cccc1-c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)o1 408977920 ZKKNRMGHSLCPKT-UHFFFAOYSA-N 410.904 7.633 0 40 HKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)c(C)c1 409111096 AUBPHJWLLSPBNB-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB CCc1ccc(NCc2cc(Br)ccc2OCc2ccc(C)cc2)cc1 409119262 SDALXPDDRRYNAD-UHFFFAOYSA-N 410.355 6.511 0 40 HKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc4ccccc34)C2=O)c(C)c1 409177240 FIOXUECEKGAGMI-FYJGNVAPSA-N 416.502 5.132 0 40 HKAB Cc1ccc(OCc2nc(C(C)C)c(-c3cccc(Cl)c3)cc2C(=O)O)cc1C 585265516 RVBLWAIJMAKWGT-UHFFFAOYSA-N 409.913 6.419 0 40 HKAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 832553 WYUZPNLFIKYQBV-UHFFFAOYSA-N 407.326 5.003 0 40 HKAB COc1ccc(OC)c(-c2csc(N(Cc3ccco3)C(=O)c3ccccc3)n2)c1 881124 XUHNWYNKSLLVIR-UHFFFAOYSA-N 420.490 5.267 0 40 HKAB Cc1cccc(-n2c(SCCc3ccccc3)nnc2-c2ccc(Cl)cc2)c1 2093371 NFKPGTLWXPMBCR-UHFFFAOYSA-N 405.954 6.231 0 40 HKAB Cc1sc2ncnc(Sc3ccc4ccccc4c3)c2c1-c1ccc(Cl)cc1 2106450 MUBWDEKSNPNJGL-UHFFFAOYSA-N 418.974 7.625 0 40 HKAB Cc1cc(Br)cc(Cl)c1O[C@H](C)C(=O)Nc1ccc(F)cc1Cl 2644144 FLWYJSZWINSRMR-SECBINFHSA-N 421.093 5.609 0 40 HKAB Cc1ccccc1COc1ccccc1/C=C1\N=C(c2ccc3ccccc3c2)OC1=O 2740009 WFKPSHBCBMBHPG-UQQQWYQISA-N 419.480 6.072 0 40 HKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)Nc1ccc(C(C)C)cc1 2765858 JWIKKBNLPIGIDT-UHFFFAOYSA-N 414.936 7.239 0 40 HKAB C[C@@H](NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 3121652 PWAFJYBEYNXTED-SFHVURJKSA-N 411.394 5.610 0 40 HKAB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)OCc1ccc(Cl)cc1 3380018 UUEQBYZVXWSPSV-VAWYXSNFSA-N 401.293 5.303 0 40 HKAB CC(C)(C)c1ccc(OCc2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)cc1 4150919 LAKRVHGBPQATKW-UHFFFAOYSA-N 423.582 5.964 0 40 HKAB COC(=O)c1c(NC(=O)CSc2nc3c(C)cccc3cc2C)sc(C)c1C 4215147 HMQUSQJJSHKHFR-UHFFFAOYSA-N 414.552 5.047 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(F)cc2)cc1 4281967 RVQGFBUOVYBCBN-ZJSXRUAMSA-N 404.441 5.085 0 40 HKAB c1ccc(C2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4cccs4)=NN23)cc1 4363907 SCPUQOGTUIGOAM-WQNVSQMQSA-N 400.547 6.346 0 40 HKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nc(SCc2ccc(F)cc2)ns1 4694136 RFIFUGJSISXOET-UHFFFAOYSA-N 417.575 5.515 0 40 HKAB O=C(Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1)c1ccncc1 4722792 SBAQTIWGJSNYCH-UHFFFAOYSA-N 411.248 5.358 0 40 HKAB Clc1ccc(CSc2nnc3c4ccccc4nc(Cc4ccccc4)n23)cc1 4898263 RTCJFNJTVHFPLX-UHFFFAOYSA-N 416.937 5.814 0 40 HKAB O=C(Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12)c1ccc(F)cc1 5106887 QNCMMJIZRLZXQJ-UHFFFAOYSA-N 408.816 5.730 0 40 HKAB CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(OC)cc1 5296276 IOKZATWVPBLTGG-UHFFFAOYSA-N 404.333 5.028 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccccc3F)oc3c(C)cccc3c2=O)cc1 5484119 CCDXDJTVERPNAX-UHFFFAOYSA-N 403.409 5.168 0 40 HKAB CC1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 5528857 KSCAGNKTAQLIBF-DAHSEUATSA-N 408.545 6.804 0 40 HKAB COc1ccc(Oc2cncnc2-c2ccc(OCc3ccccc3)cc2O)cc1 5557447 HDHQVIBXWITYKN-UHFFFAOYSA-N 400.434 5.229 0 40 HKAB biogenic CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1CC 6356405 VLOPNMUHLXIVDZ-UHFFFAOYSA-N 420.538 5.313 0 40 HKAB COc1cc(NC(=O)c2ccc(C(C)C)cc2)ccc1NC(=O)c1ccccc1Cl 6390166 OXZUVROBDKPWOL-UHFFFAOYSA-N 422.912 5.977 0 40 HKAB COc1ccc(-c2cc(C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)c(C)o2)cc1OC 6455924 BEBOAUYPCJXIIL-KRGUIMPISA-N 423.553 5.607 0 40 HKAB N[C@@H](Cc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)C(=O)O 6574839 NPNJNUNUMMLETK-SANMLTNESA-N 423.512 5.012 0 40 HKAB Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2ccc(C(C)(C)C)cc2)CSC3)c1 6825824 DCFVHECPGUNMRL-UHFFFAOYSA-N 405.567 5.786 0 40 HKAB Cc1ccc2[nH]c(S[C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)nc2c1 7141113 LFRCZQRGFBLJKX-MRXNPFEDSA-N 403.507 5.783 0 40 HKAB Cc1ccc(-c2nnc(CCC(=O)NCCc3c(C)cc(C(C)(C)C)cc3C)o2)cc1 7965439 KMPNYNWBSDEMIM-UHFFFAOYSA-N 419.569 5.251 0 40 HKAB CSc1nc2ccc3nc(NC(=O)COc4ccc(Cl)cc4)sc3c2s1 9404749 FTVGMYDXKFHDDC-UHFFFAOYSA-N 421.956 5.299 0 40 HKAB O=C(Cc1ccccc1F)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 9631947 XGEKURFFNPHLFO-UHFFFAOYSA-N 416.374 5.278 0 40 HKAB O=C(Nc1ccc(Br)cc1Br)c1cccc(Cl)c1Cl 9766107 HAACDPBCIBQRFQ-UHFFFAOYSA-N 423.919 5.771 0 40 HKAB Cc1cn(-c2nc(-c3ccccc3)oc2-c2ccccc2)c(=O)nc1NCc1ccco1 10383266 CWBHFBBOBHKNNL-UHFFFAOYSA-N 424.460 5.068 0 40 HKAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(N2CCCCCC2)cc1 12689877 UCNNLTVRSXHLGA-UHFFFAOYSA-N 424.932 5.342 0 40 HKAB Cc1ccc(-c2nc(CSc3nc(COc4ccc(Cl)cc4)n[nH]3)co2)cc1 12793747 KBXSGDFVIYLXDC-UHFFFAOYSA-N 412.902 5.293 0 40 HKAB Cc1ccccc1OCc1n[nH]c(SCC(=O)c2cc3cc(Cl)ccc3o2)n1 12795204 WKWGXIBWJVDNIK-UHFFFAOYSA-N 413.886 5.067 0 40 HKAB CCOC(=O)c1sc2cccc(F)c2c1CSc1ccc(NC(C)=O)cc1 12995437 GISWUONDRPPXDV-UHFFFAOYSA-N 403.500 5.468 0 40 HKAB CC[C@H](C)c1ccc([C@H](CC)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 17082313 ZSUHTMILDZBVAM-REDKUUPNSA-N 401.978 6.505 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)cc1 17089397 LQHCAONKXHASOK-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB CC(C)C(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 17093822 WIXPLVSBLUKWMB-UHFFFAOYSA-N 424.378 5.739 0 40 HKAB O=C(CSc1ccc(F)cc1)Nc1nc(-c2cc(Cl)sc2Cl)cs1 17156037 BEKNWNVNNODKMJ-UHFFFAOYSA-N 419.355 6.048 0 40 HKAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(Cl)cc1 18194100 GCVUDOGABPLNSY-UHFFFAOYSA-N 419.937 5.924 0 40 HKAB Cc1ncc(C(=O)Nc2ccccc2)c([C@H]2CCCCN2Cc2ccccc2Cl)n1 19766959 JUUDRLXTGJNWEG-JOCHJYFZSA-N 420.944 5.418 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 20454542 ASZTWBSOJAZVOM-OXQOHEQNSA-N 417.571 5.097 0 40 HKAB COc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(C)c(Cl)c4)c3c2c1 21017603 TXIRGWBXRXYAFA-UHFFFAOYSA-N 417.871 6.350 0 40 HKAB CCc1ccc(-n2ncc(C(=O)N3CC=C(c4ccccc4)CC3)c2-n2cccc2)cc1 22570434 YFOXKDJLIFOXNE-UHFFFAOYSA-N 422.532 5.155 0 40 HKAB CCN(CC)Cc1ccccc1CNC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 23174862 RPGHYVAFHGJIKV-LJQANCHMSA-N 404.554 5.110 0 40 HKAB Cc1ccc2nc(NC(=O)c3cccnc3SCc3c(C)noc3C)sc2c1 23293151 HTBDYXPJFCUGPR-UHFFFAOYSA-N 410.524 5.149 0 40 HKAB Clc1ccccc1CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12 28287190 ARKSYJVKUZGNHA-UHFFFAOYSA-N 412.880 6.217 0 40 HKAB COc1ccc(Cl)cc1NC(=O)Nc1nn(Cc2ccc(F)cc2)cc1Cl 32610712 HDZRKCBVKRQWBV-UHFFFAOYSA-N 409.248 5.030 0 40 HKAB CCCc1ccc([C@@H](NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c2cccs2)cc1 32879727 HSUOBIVVAKCXSJ-WMZHIEFXSA-N 422.525 5.171 0 40 HKAB O=C(COc1ccccc1-c1noc(-c2ccccc2)n1)Nc1ccc(Cl)cc1 33325040 UHCDZFBAZMUABI-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB CC(C)c1ccc(/C=C/c2ccnc3nc(N4CCc5ccccc5C4)[nH]c(=O)c23)cc1 40388522 ZMWCWFMCYYIRBW-FMIVXFBMSA-N 422.532 5.175 0 40 HKAB Cc1cc(OCC(=O)N[C@@H](CC(C)C)c2ccccc2)cc(C)c1Br 44883879 PSJDOFXHSHHZPU-IBGZPJMESA-N 404.348 5.348 0 40 HKAB Cc1ccc2c(Nc3ccc(F)c(Cl)c3)c(C(=O)N3CCCC[C@@H]3C)cnc2n1 49005169 VEOXUSJSHRCDLF-AWEZNQCLSA-N 412.896 5.489 0 40 HKAB COc1ccc(OC)c(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c1 61431596 CLFBAVWFDVODEQ-UHFFFAOYSA-N 400.434 5.278 0 40 HKAB O=C(Nc1ccc(NC(=O)c2ccccc2-c2ccccc2)cc1Cl)c1ccco1 65492444 YBUXKUAXJZYFIZ-UHFFFAOYSA-N 416.864 6.105 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2)cc1 67297660 KQBVBMOXWIADCZ-RWEWTDSWSA-N 404.853 5.580 0 40 HKAB Cc1ccc(C(=O)Oc2ccc(/C=C3/C(=O)ON=C3c3ccc(Cl)cc3)cc2)cc1 83317423 KHKGURZHXAHOBJ-KGENOOAVSA-N 417.848 5.212 0 40 HKAB N=c1c2c(-c3ccco3)c(-c3ccco3)oc2[nH]c(=S)n1-c1ccc(Cl)cc1 100913580 PUBFCENZKJMOFO-UHFFFAOYSA-N 409.854 5.934 0 40 HKAB O=C1Nc2ccc(Cl)cc2[C@]12C=C(c1ccc(F)cc1)Nc1ccccc1S2 101493971 VWJZAFXHIVKUEH-JOCHJYFZSA-N 408.885 5.885 0 40 HKAB Cc1nn(-c2ccc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)cc2)c(C)c1Br 103029889 ULFUWZCWDJICTO-JYJNAYRXSA-N 402.336 5.016 0 40 HKAB Cn1/c(=N\C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)sc2ccccc21 104992188 VITWTXGRJFNCFW-LYBHJNIJSA-N 402.397 5.260 0 40 HKAB Cc1ccc(NCc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1Cl 106972315 GWAILUCCXXPDKV-UHFFFAOYSA-N 405.900 7.132 0 40 HKAB C[C@]12C[C@H](F)C(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC(=O)c1ccccc1 118922935 HNAAFHHBQZHFPH-VXDGAZRSSA-N 412.545 5.772 0 40 HKAB O=C(O)[C@H]1[C@H](c2ccccc2)[C@@H](C(=O)Oc2cccc3ccccc23)[C@H]1c1ccccc1 149621172 NVOKBONTLOAJKA-CQJMVLFOSA-N 422.480 5.643 0 40 HKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 216493750 MPZZGACQLRLHAK-UZUQRXQVSA-N 420.484 5.113 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 222533246 JYIOCIWGIHJAEA-UHFFFAOYSA-N 422.550 5.196 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223373278 NLVZQRBVDHVLKN-VGSWGCGISA-N 417.977 6.124 0 40 HKAB CC(C)c1ccc(OCC(=O)NC(C)(C)Cc2ccccc2)c(Br)c1 223663815 CGMPZIOHDKQMNJ-UHFFFAOYSA-N 404.348 5.089 0 40 HKAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 223674540 LTZDRITXGRJNKX-UHFFFAOYSA-N 421.562 5.633 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 224893847 BELFODJUSVLIHI-UHFFFAOYSA-N 409.272 6.568 0 40 HKAB CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl 224939396 GKXNCTGNJGXHRF-UHFFFAOYSA-N 418.651 5.491 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccccc1Sc1ccccc1 225352229 IVGCZLKXTBTACX-UHFFFAOYSA-N 402.346 6.716 0 40 HKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225679238 IEQXNWAWXZOIDL-KRWDZBQOSA-N 401.919 5.271 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225750054 OYBGIGNKRTWBHT-RUZDIDTESA-N 418.622 5.646 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(OCC)CCCCCC2)ccc1O[C@H](C)CC 225830634 MNSJUQRMXHUEDC-QGZVFWFLSA-N 405.535 5.109 0 40 HKAB COc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)c2ccccc12 225919255 OHRJZVJDCLRCPO-UHFFFAOYSA-N 411.885 5.192 0 40 HKAB C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)C1 226069976 DKQZZSIPHROKMK-MQSCRBSSSA-N 419.650 5.135 0 40 HKAB CNc1nc(-c2ccc(OC)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cs1 226092676 CDEBNCPFORVTAJ-UHFFFAOYSA-N 415.518 5.780 0 40 HKAB Cc1cc(Nc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cc3ccccc23)n[nH]1 257222452 DTJCOKMDWUDJBW-UHFFFAOYSA-N 407.518 5.124 0 40 HKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260818233 YJSYRUXMQKOADK-SQJMNOBHSA-N 418.622 5.501 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(F)cc2)cc1Cl 408694309 ISJRKAMVKSGIGV-UHFFFAOYSA-N 424.838 5.427 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccccc2)cc1C 408697625 IRRZYGYOMKHYPR-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(-c2sc(NC(=O)c3ccc(Cl)cc3)nc2-c2ccccc2)cc1C 408832738 IOOSITMFOSAAQC-UHFFFAOYSA-N 418.949 7.000 0 40 HKAB CC[C@H](C)N1C(=O)S/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C1=O 409011760 HMVWWTPJEGECGR-KOWBDXASSA-N 404.535 5.833 0 40 HKAB Clc1ccccc1OCCSc1nnc(Cc2ccccc2)n1-c1ccccc1 409094733 FQWCVXLYHRKUJP-UHFFFAOYSA-N 421.953 5.683 0 40 HKAB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1[C@H](C)Oc1ccccc1 409341901 ALQCJADBFWBQSU-SFHVURJKSA-N 424.570 5.094 0 40 HKAB O=C1C[C](O)C[C@@H](/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)O1 1560408683 QQTIODJZVYTSCF-TZZQJPOUSA-N 402.445 5.542 0 40 HKAB CCOC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cc(Cl)c(Cl)cc1Cl 682552 RSIAPRXHHBRYCX-JTQLQIEISA-N 416.688 5.230 0 40 HKAB CC(C)CC(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 724359 BPUCKGKFRWBAAZ-UHFFFAOYSA-N 422.337 5.661 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1Cl 806979 NVHCCDLPEHEKCA-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)Cc1cccs1)c1ccccc1 1333752 YRAMGZAIAWUSPX-JOCHJYFZSA-N 424.591 5.185 0 40 HKAB O=C(Nc1ccc(Cl)cc1)n1nc(-c2ccccc2)c2ncc(C(F)(F)F)cc21 1393326 ZYLTZKZCPHLUJZ-UHFFFAOYSA-N 416.790 5.851 0 40 HKAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CCC(=O)N(C2CCCCC2)[C@@H]1c1ccccc1 1394541 XCHHNSJUGPUFLF-ISKFKSNPSA-N 424.972 5.269 0 40 HKAB Cc1cccc(N2C(=O)c3cc(C)nc(SCc4ccc(F)c(F)c4)c3C2=O)c1 1405632 XZWGQSYSZHKHRK-UHFFFAOYSA-N 410.445 5.070 0 40 HKAB Cc1oc2cc(OCC(=O)c3ccccc3)ccc2c(=O)c1-c1ccc(Cl)cc1 1447919 XBKHVIPXWKRHBY-UHFFFAOYSA-N 404.849 5.684 0 40 HKAB biogenic CCCC[C@H](c1nc2c(c3c1CCCC3)CCCC2)C(O)(C(F)(F)F)C(F)(F)F 1697507 PKDWBENDGQEAMH-MRXNPFEDSA-N 423.441 5.969 0 40 HKAB CCCSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2 1836975 VKKUQXVORKNOGK-UHFFFAOYSA-N 416.590 6.160 0 40 HKAB CCOc1ccc([C@H](CCc2ccccc2)NC(=O)Cc2ccccc2)cc1OCC 2127276 XYUBOUUZHHFPFS-DEOSSOPVSA-N 417.549 5.517 0 40 HKAB c1ccc(CNc2ncnc3c2sc2nc(-c4ccco4)c4c(c23)CCCC4)cc1 2288417 JJFCJYVTKOKEFK-UHFFFAOYSA-N 412.518 5.990 0 40 HKAB CCCCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 2293283 OAVQASHUIXXHLB-UHFFFAOYSA-N 416.594 6.778 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)cc1)N(Cc1ccco1)C3=O 2434697 GRRKGIQOYRKGMX-FQEVSTJZSA-N 405.837 5.093 0 40 HKAB Cc1ccc(-c2csc3ncnc(NS(=O)(=O)c4ccc(Cl)cc4)c23)cc1 2660072 AUMVNBHOPUIZEI-UHFFFAOYSA-N 415.927 5.121 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2cccc(C)c2)cc1 2684734 NFPKQJQIOVYKHL-UHFFFAOYSA-N 414.534 5.282 0 40 HKAB CCO[C@@]1(C)C(=O)c2ccc(C(C)C)cc2N1Nc1cc(C(C)C)ccc1C(=O)CC 3181482 VMSBCKSFUGTZJC-SANMLTNESA-N 422.569 6.309 0 40 HKAB O=C(COC(=O)c1c(F)cccc1Cl)Nc1ccccc1Sc1ccccc1 3230079 CRHXTFGRBPGCLF-UHFFFAOYSA-N 415.873 5.426 0 40 HKAB Cc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccc(Br)cc12 3352242 KAOQGAPFWQQVEV-UHFFFAOYSA-N 414.177 5.655 0 40 HKAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1Cc1ccccc1 3375414 MSPVPBSHZYNSBT-UHFFFAOYSA-N 406.913 5.080 0 40 HKAB C[C@H](Sc1ncnc2sccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3429996 ABNDNPJZDKIJQS-QMMMGPOBSA-N 417.865 5.483 0 40 HKAB C[C@@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(F)c(F)c1F 3434240 LMIBHMBRZLIMFY-CQSZACIVSA-N 400.400 5.122 0 40 HKAB Cc1ccc(-c2nc(-c3cc4cc(Cl)ccc4oc3=O)sc2CC(=O)O)cc1 4600021 KWPMXQSOVXMBHV-UHFFFAOYSA-N 411.866 5.172 0 40 HKAB S=C(NCc1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 4666126 DDAISFINBCHQDD-JOCHJYFZSA-N 405.954 5.566 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)o1 4715892 VCNYDSVIWOARLV-GHTZIAJQSA-N 400.812 5.762 0 40 HKAB CC(=O)Nc1ccc(Cl)c(NC(=O)c2ncoc2-c2ccc3ccccc3c2)c1 5002095 JEXYHEBFJLGLIS-UHFFFAOYSA-N 405.841 5.359 0 40 HKAB CCCCc1ccc2nc(-c3ccc(-c4ccc(Cl)cc4)o3)cc(C(=O)O)c2c1 5237261 QEQLZEWXLJFYDO-UHFFFAOYSA-N 405.881 6.856 0 40 HKAB Clc1ccc(CSC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 6474722 AMBANBKFWOCUDR-UHFFFAOYSA-N 400.974 7.565 0 40 HKAB CCc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 6709839 DIWORFCPHVZRBU-FQEVSTJZSA-N 416.502 5.179 0 40 HKAB CCCC[C@H](CC)COC[C@H](CN(C)C)OC[C@H](C)COC[C@H](CC)CCCC 6778652 OXQSXJOQFXUCQG-NGSHPTGOSA-N 415.703 6.035 0 40 HKAB CCCN(C(=O)c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 6825411 HXPVUMAWVIEBEP-UHFFFAOYSA-N 401.329 5.629 0 40 HKAB Cc1cccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c1 6967191 XJELJGGBHIJTMY-XKZIYDEJSA-N 419.912 5.149 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 7080068 KQWDPWYEGPKLQO-SFHVURJKSA-N 414.505 6.334 0 40 HKAB Cc1c(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)sc2cccc(F)c12 7785738 WNWOHRWMHZVAJG-NRFANRHFSA-N 413.514 5.637 0 40 HKAB CC(=O)Nc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)c(C)c2)cc1 7895520 HDROQOMFEPSHFY-UHFFFAOYSA-N 408.885 5.438 0 40 HKAB COc1ccc(CSc2nnc(C3CC3)n2-c2ccccc2)cc1Br 8165503 RJERSPOQBJBBIL-UHFFFAOYSA-N 416.344 5.208 0 40 HKAB Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)c2)c1 8382844 FBWQRHURPQVQNK-INIZCTEOSA-N 408.885 5.307 0 40 HKAB O=c1oc2ccc(Cl)cc2cc1-c1csc(Nc2ccc(Cl)cc2Cl)n1 8892299 PCCGOFHTZSIOKS-UHFFFAOYSA-N 423.708 6.620 0 40 HKAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc21 8959500 NPCYIVGVLNTAHV-UHFFFAOYSA-N 414.505 5.377 0 40 HKAB CCc1ccccc1NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1 9071652 LPXZTSAGCQBRLL-UHFFFAOYSA-N 411.505 5.325 0 40 HKAB Cc1cc(NC(=O)[C@H](C)Sc2nc(-c3cccs3)c(-c3cccs3)[nH]2)no1 9198645 GSTDFXVTDCXJAM-NSHDSACASA-N 416.553 5.282 0 40 HKAB Cc1cc(C(=O)CCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c(C)s1 9338017 OILSYJHPHCPBFY-UHFFFAOYSA-N 409.536 5.343 0 40 HKAB C[C@@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2n1Cc1ccccc1Cl 9374939 MDUVCRZTNCFGIK-OAHLLOKOSA-N 424.331 5.882 0 40 HKAB Cc1ccc(C(=O)CSc2ccc(-c3sc(-c4cccs4)nc3C)nn2)cc1 9578080 MCBCTRLMMGKYOS-UHFFFAOYSA-N 423.588 5.920 0 40 HKAB COc1cccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(F)cc23)c1 9676029 VVZPREGDOGBECS-UHFFFAOYSA-N 417.871 6.350 0 40 HKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2ccccc2F)cc1 9679139 IFZDDCJBXOYAAW-QHCPKHFHSA-N 417.871 5.927 0 40 HKAB CCSc1ccc(CC(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1 10252480 NNTQOZJLMDYXEG-UHFFFAOYSA-N 414.552 5.121 0 40 HKAB CC(C)(C)c1ccc(CCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 10325277 KCDHGMVMUHBLEP-UHFFFAOYSA-N 424.437 6.273 0 40 HKAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N(Cc4ccccc4)C4CC4)cc3)o2)c1 12757216 NXJDVTSSVNXEKU-UHFFFAOYSA-N 409.489 5.517 0 40 HKAB C[C@@H]1c2ccsc2CCN1C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 12880001 OQUYPHMGYAOLHO-MRXNPFEDSA-N 424.591 5.073 0 40 HKAB CC(=O)c1ccc(C(=O)Nc2ncc(Cc3ccccc3Br)s2)s1 12933356 QXJWOOBEWRSWFB-UHFFFAOYSA-N 421.341 5.013 0 40 HKAB Cc1cc(C)c(NC(=O)CN(Cc2ccc3c(c2)OCO3)C2CCCC2)c(Cl)c1 12998996 ACFCJVUKLBWJQM-UHFFFAOYSA-N 414.933 5.069 0 40 HKAB COc1cc2c(cc1NS(=O)(=O)c1cc(Cl)ccc1Cl)oc1ccccc12 13098153 WKBPTNPCMGCDQU-UHFFFAOYSA-N 422.289 5.702 0 40 HKAB CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(C(C)C)cc1 13325763 FLJGMKRSAZZKLZ-UHFFFAOYSA-N 416.388 6.143 0 40 HKAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 13685621 DCTHQHQZCGBYOK-IRXDYDNUSA-N 422.912 5.237 0 40 HKAB CCCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1OCC 13928752 TYEOQKKDLUKLQY-YVLHZVERSA-N 420.292 5.525 0 40 HKAB Cc1ccc(-c2nc(C(=O)N[C@H](c3ccc(Cl)cc3)c3nccn3C)cs2)cc1 16263147 IBDFRSFOJNGSJV-LJQANCHMSA-N 422.941 5.025 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCCCC4)cc3)o2)cc1Cl 16313102 KOFOGWJEVVPVJE-WYMLVPIESA-N 420.940 6.551 0 40 HKAB O=C(NC(=S)Nc1cccc(F)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 17088163 HJOOGZJGRGRIJI-UHFFFAOYSA-N 409.269 5.519 0 40 HKAB Cc1ccc(Cl)cc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 17088700 XCYIXJMAIUKPTC-UHFFFAOYSA-N 410.926 5.354 0 40 HKAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3cccc(C)n3)no2)cc1OC 19236257 AMJAHYPYXMLSLZ-OAQYLSRUSA-N 407.514 5.180 0 40 HKAB c1ccc(CN(Cc2ccccc2)CN(Cc2ccccc2)Cc2ccccc2)cc1 19321072 WVFBFEWKWKPZOV-UHFFFAOYSA-N 406.573 6.349 0 40 HKAB CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(Cc4cccnc4)C3)noc2n1 19452097 FVEFVCBDSWTJLG-OAHLLOKOSA-N 404.436 5.140 0 40 HKAB O=C1N(c2ccccc2)CN(C2CCCCC2)CN1c1nc(-c2ccccc2)cs1 19890875 VXRKBBXBYWLSBI-UHFFFAOYSA-N 418.566 5.806 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl 20144735 SARKNYKTIRHDGR-UHFFFAOYSA-N 402.661 5.141 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20492473 PFLLHHQUIVLYFF-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB COc1cccc([C@@H]2CN[C@@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c32)c1OC 23982842 DZUAOPYJKPTDSH-CVDCTZTESA-N 418.924 5.663 0 40 HKAB COc1cc(/C=C2\SC(=S)N=C2O)cc(Cl)c1OCc1cccc(C)c1 26675974 KDVXVVWWCQAKPJ-SXGWCWSVSA-N 405.928 5.565 0 40 HKAB Cc1ccc(C(=O)n2c(N)c(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccc32)cc1 28535517 OKGSTGFTAUMQSI-UHFFFAOYSA-N 417.896 5.435 0 40 HKAB O=C(COc1ccc(F)cc1)Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 32623130 CCZACBHSRDDFDG-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB Cc1ccc([C@H](NC(=O)N2c3ccccc3Sc3ccccc32)c2ccccc2)cc1 38752557 ZPNWKMSVLTWUNA-AREMUKBSSA-N 422.553 7.097 0 40 HKAB CCc1cccc(OCC(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1 40115287 JKCAVPHFYPCFKM-SFHVURJKSA-N 417.509 5.149 0 40 HKAB O=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)c1cnc(-c2ccccc2)s1 40131188 CUJZUVWICUJWQR-UHFFFAOYSA-N 420.494 5.578 0 40 HKAB C[C@H](c1ccccc1F)N(Cn1nc(-c2cccs2)c2ccccc2c1=O)C1CC1 40158179 FFKVXRQDPFRPLZ-MRXNPFEDSA-N 419.525 5.447 0 40 HKAB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(Cc2c(Cl)cccc2Cl)CC1 44933019 INTGVYHNXJYILR-JOCHJYFZSA-N 417.380 5.399 0 40 HKAB C[C@H]1c2ccsc2CCN1Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S 57473820 LMYPXRZJJMVTPF-INIZCTEOSA-N 419.579 5.104 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(-c2nc3ncccc3o2)cc1 59477569 PQHZWCOKMWKDSG-FYWRMAATSA-N 407.429 5.802 0 40 HKAB O=C(Nc1cccc(C2SCCS2)c1)NC1CCN(c2ccc(F)cc2)CC1 65439432 FIRPIVXBVVCZJG-UHFFFAOYSA-N 417.575 5.095 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)N(Cc1ccoc1)Cc1cccs1 90612262 XGTVPPURCBUJHF-UHFFFAOYSA-N 402.519 5.843 0 40 HKAB Cc1ccc(Cn2c(C3CCN(C(=O)OC(C)(C)C)CC3)nc3ccccc32)cc1 91365959 LFUIBLXARIQAOO-UHFFFAOYSA-N 405.542 5.508 0 40 HKAB COc1cccc(C(=O)c2coc3ccc(OCc4c(F)cccc4Cl)cc23)c1 96184098 REGSPSZKWGMVSQ-UHFFFAOYSA-N 410.828 6.044 0 40 HKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H]3CC=CCC3)CC2)n1 100738901 JLNMDEBXKTUQNP-NNWRFLSQSA-N 418.585 5.408 0 40 HKAB COc1ccc(OC)c([C@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)c1 102527667 VVAXMPPRLMZRFD-XMMPIXPASA-N 406.526 6.192 0 40 HKAB C[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(C(C)(C)C)cc1 218855043 MDOPWDDVDYOHBY-ZDUSSCGKSA-N 424.766 5.656 0 40 HKAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 219680906 INRCXTOYQFPIOD-HUUCEWRRSA-N 404.348 5.391 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1C 224274974 NMJFZQOAPKIRIA-RPBOFIJWSA-N 424.573 5.666 0 40 HKAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(CSc2ccccc2)c1 224327523 YPCTUJVUZAUMBT-UHFFFAOYSA-N 407.491 5.026 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1CSc1ccccc1 224650742 JZMHCMPJKXXFJZ-UHFFFAOYSA-N 405.563 6.501 0 40 HKAB CCOC(=O)c1cc(NC(=S)NCCCSc2ccc(C)cc2)ccc1Cl 225588473 BFHWQMGPZVAJTE-UHFFFAOYSA-N 423.003 5.294 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(OCCCN(CC)CC)cc2)CCC[C@H](C)C1 225663722 DCMNOCLNCQNAIT-GBXCKJPGSA-N 404.595 5.111 0 40 HKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225703185 VPWMWOZJYURSRM-HYBUGGRVSA-N 404.595 5.111 0 40 HKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NCCC1=CCCCC1 225830783 VPJMDHCRAYIVHY-UHFFFAOYSA-N 401.510 5.343 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)c2ccccc12 225931879 SZVMVQXSLVKPPH-UHFFFAOYSA-N 421.540 6.302 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccccc2)cc1 408698301 OXOYMAPREWCWOR-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(F)cc2)cc1C 408699616 VFWUZHJJDWEAOG-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc2ccccc2c1 408817449 WIBVUAQPLLHLKK-BKUYFWCQSA-N 405.475 5.094 0 40 HKAB Cc1ccc(NC(=O)c2c(NC(=O)c3ccccc3C)sc3c2CCCC3)cc1C 409113382 FTZFUKYLAPBUTQ-UHFFFAOYSA-N 418.562 6.057 0 40 HKAB Fc1cccc(Cl)c1COc1cccc(C(=S)N2CCc3ccccc3C2)c1 409196513 OJINMNGPIFTMDU-UHFFFAOYSA-N 411.929 5.792 0 40 HKAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)Nc3cc(C)cc(C)c3)c12 409198552 BYAMDGWUQZPQRW-UHFFFAOYSA-N 402.416 5.204 0 40 HKAB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(F)F 409364335 XIGWNLBGTJMKCS-OQLLNIDSSA-N 411.813 5.191 0 40 HKAB COc1cc(-c2nc(O)c3ccccc3n2)ccc1OCc1ccc(C(C)(C)C)cc1 575410970 QUVPRKCBRZHPPE-UHFFFAOYSA-N 414.505 5.888 0 40 HKAB CC(C)(C)OC(=O)NCCc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1 1889205586 NACOZADYYQQCRH-UHFFFAOYSA-N 403.347 5.242 0 40 HKAB Clc1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1Br 2362797694 FUUMFLBQPNHSNF-UHFFFAOYSA-N 422.713 6.289 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccccc1F 790118 DELFGPDAFPBYTR-UHFFFAOYSA-N 416.481 5.076 0 40 HKAB CCc1ccc2oc(-c3cccc(NC(=O)c4cc(OC)cc(OC)c4)c3)nc2c1 861645 IMDCEACZBGNNON-UHFFFAOYSA-N 402.450 5.327 0 40 HKAB O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)Nc1ccccc1 890770 RFGVJRVHYZDBSW-UHFFFAOYSA-N 407.392 5.032 0 40 HKAB COc1cccc(COc2ccc3c(=O)c(Oc4ccccc4OC)coc3c2)c1 2105151 CUZNZUUFILXTEC-UHFFFAOYSA-N 404.418 5.182 0 40 HKAB biogenic CCCc1nc2sc3c(SCc4ccccc4)ncnc3c2c2c1CCCC2 2297636 JUYDDXWQXOECRG-UHFFFAOYSA-N 405.592 6.363 0 40 HKAB Cc1ccc(C(=O)[C@@H](OC(=O)/C=C/c2cnc3ccccc3n2)c2ccc(C)cc2)cc1 2650384 XRDCHIIKWIUQHP-VHRAYMLOSA-N 422.484 5.427 0 40 HKAB O=C(Nc1ccccc1)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12 2654402 UKKFNOPOZOKTCJ-UHFFFAOYSA-N 406.529 7.202 0 40 HKAB COc1cccc2cc(-c3nnc(Nc4ccc(Cl)cc4Cl)s3)c(=O)oc12 3175973 LRKXVVGKSIRLHF-UHFFFAOYSA-N 420.277 5.371 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](NCc1ccc(F)cc1)c1ccccc1 3323056 PGHFXHVOBOEDCV-FQEVSTJZSA-N 402.391 5.314 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Sc4nncs4)cc3)sc2c1 3385686 RCHCVYAJKNGFQP-LBPRGKRZSA-N 412.565 5.243 0 40 HKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)cc1C 4033306 XZEKGOAHXDNDIC-HXUWFJFHSA-N 413.496 5.361 0 40 HKAB Cc1cccc([S@](=O)CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 4040715 DKRQKKPHXHHYNJ-SANMLTNESA-N 405.346 5.346 0 40 HKAB COc1cc(CNCc2ccncc2)ccc1OCc1c(Cl)cccc1Cl 4413626 BLQRFZYTQBFWTQ-UHFFFAOYSA-N 403.309 5.266 0 40 HKAB Cc1ccc(C(C)C)cc1CN1C(=O)[C@@](O)(c2c(C)[nH]c3ccccc23)c2ccccc21 4554136 NJYSHXIBXIVBKL-NDEPHWFRSA-N 424.544 5.691 0 40 HKAB COc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1NC(=O)C(C)C 4554772 DJXDRGHAIRYEMQ-UHFFFAOYSA-N 402.494 5.060 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccccc2Cl)cc1 4715966 HKAACBCPGFJVIK-ISKFKSNPSA-N 420.896 5.600 0 40 HKAB CCCC[C@@H](CC)CNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 4742894 VMRWVBSYVSRYBQ-IQGLISFBSA-N 417.553 5.046 0 40 HKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cccc(Cl)c3Cl)c2c1 4906095 LWNFUKOBEDWVLL-UHFFFAOYSA-N 407.300 6.769 0 40 HKAB Cn1c(C(=O)N(Cc2ccc(C(C)(C)C)cc2)Cc2ccco2)cc2sccc21 4971169 BKEKMJGANQQTSF-UHFFFAOYSA-N 406.551 5.973 0 40 HKAB COc1ccccc1C1=NN2[C@@H](C1)c1ccccc1OC21CCC(c2ccccc2)CC1 5092465 HZRALAIXMSKGTR-FJOOJYTASA-N 424.544 6.293 0 40 HKAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)c3ccc(F)cc3)ccc12 5341430 LIVQWTNMTZSTRI-UHFFFAOYSA-N 402.421 5.093 0 40 HKAB biogenic COc1ccc([C@@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)cc1 5343197 ITHGACMVCHWOCJ-XMMPIXPASA-N 413.452 5.283 0 40 HKAB CCCC[C@@H](CC)COC(=O)c1cccc(C(=O)OCCCCCCCC(C)C)c1 5553719 PRQZIYTWKPUCOW-JOCHJYFZSA-N 418.618 7.213 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5632817 YMMFNKXZULYSOQ-ZIESZSSESA-N 420.678 5.554 0 40 HKAB O=C(Nc1nccs1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 5685518 LZUVVPPPCYKROB-UHFFFAOYSA-N 400.290 5.917 0 40 HKAB Cc1nc2cc(C(=O)OCC(=O)c3ccc(Cl)s3)ccc2n1-c1ccccc1 6025414 MIMSVNRSCVHLGF-UHFFFAOYSA-N 410.882 5.089 0 40 HKAB COc1ccc(C2=Nc3ccc(F)cc3C(c3cccc(C(F)(F)F)c3)=NN2)cc1 6145739 YPTBFAOYIMMDHT-UHFFFAOYSA-N 413.374 5.287 0 40 HKAB Cc1cccc(Nc2nnc(SCC(=O)N(Cc3ccccc3)C(C)C)s2)c1 6510056 PGEHYFNHVBVARX-UHFFFAOYSA-N 412.584 5.119 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3Cl)cc2CN[C@H](C)c2ccccc2)cc1 6602439 VDRKOTYPFIRAOX-LJQANCHMSA-N 401.941 6.352 0 40 HKAB CCOc1ccc(-n2c(C)cc(/C=N/Nc3ccc(C(F)(F)F)cn3)c2C)cc1 6620511 LHHZEJKDEHRLJO-RPPGKUMJSA-N 402.420 5.353 0 40 HKAB COc1ccc2c(c1)O[C@@](c1ccc(C)cc1)(C(F)(F)F)N=C2Nc1ccccc1 6962392 UHLXDXAGRGAFSP-QFIPXVFZSA-N 412.411 5.670 0 40 HKAB O=C(Nc1ccccc1Nc1ccccc1)c1ccc(NC(=O)c2cccs2)cc1 8024261 MAQKRXLRMXKBNU-UHFFFAOYSA-N 413.502 5.996 0 40 HKAB COc1ccc(CCNCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 8474404 QUIJTCBYLJQKNE-UHFFFAOYSA-N 416.348 5.913 0 40 HKAB C[C@@]12CC3CC(NCc4ccc(OCc5ccccc5Cl)cc4)(C1)C[C@](C)(C3)C2 8534529 DRCPADYBUJAUMB-FMLGTGLNSA-N 410.001 6.758 0 40 HKAB FC(F)(F)c1cccc(Cn2cc(C3=CCC4(CC3)OCCO4)c3ccccc32)c1 8857321 LMXYPZJQZHGTQF-UHFFFAOYSA-N 413.439 6.019 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1Cl 8904038 PPNYMYSWRFNQNB-UHFFFAOYSA-N 401.890 5.481 0 40 HKAB COc1ccc(-c2c(-c3ccc(OCc4ccccc4Cl)cc3O)n[nH]c2C)cc1 8973207 KEYBRKMGQBZQPA-UHFFFAOYSA-N 420.896 5.999 0 40 HKAB COc1ccc([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 9292718 NODIDDNOQMKCQW-IRLDBZIGSA-N 424.331 6.498 0 40 HKAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 9591613 PZBXHTVPYKNUTH-CQSZACIVSA-N 421.399 5.348 0 40 HKAB O=C(NC1CCN(Cc2ccccc2)CC1)N1c2ccccc2Sc2ccccc21 10450875 SCYPRBUBLNWKQZ-UHFFFAOYSA-N 415.562 5.664 0 40 HKAB Cn1c(-c2ccc(Cl)c(Cl)c2)cn2cc(-c3ccc(Cl)c(Cl)c3)nc12 12629066 MIWJXGFAHNWGFU-UHFFFAOYSA-N 411.119 6.620 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cccc(-c2nnc3n2CCCCC3)c1 12795672 GZCNGHSONRKJFF-MRXNPFEDSA-N 424.932 5.039 0 40 HKAB COc1cc(/C=C(\Cl)c2nc(-c3ccsc3)no2)cc(Cl)c1OC(F)F 13016421 CFVVIEQOXQZXHS-WZUFQYTHSA-N 419.236 5.798 0 40 HKAB O=C(O)c1ccccc1O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 13135815 QYBLXDWRODFHJI-LJQANCHMSA-N 416.260 5.450 0 40 HKAB CCCCCc1nnc(NC(=O)c2ccccc2SCc2csc(C)n2)s1 14241658 OEYKPOVIAVYCSO-UHFFFAOYSA-N 418.613 5.580 0 40 HKAB CCOc1cc(C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OC 14427036 MOOUQYARDRVRKA-UHFFFAOYSA-N 419.102 5.416 0 40 HKAB CCOC(=O)c1ccc(-c2ccc([C@H]3O[C@@H]4CCCC[C@@H]4c4sccc43)o2)cc1 15023739 CRUCRXHYCUGCRX-WEYGHZABSA-N 408.519 6.331 0 40 HKAB COc1ccc(-c2ccc(C(=O)c3ccc(-c4ccc(OC)cc4)s3)s2)cc1 16217440 YSDGLRPMGQSMIZ-UHFFFAOYSA-N 406.528 6.392 0 40 HKAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)c2C(N)=O)C1 17090156 VZVHDNYFZCTPQY-LLVKDONJSA-N 414.914 5.138 0 40 HKAB Cc1cc(C)cc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 17094172 DCPQKLUROFCEJI-VQHVLOKHSA-N 424.953 6.052 0 40 HKAB Clc1ccc(OCc2nnc(SCc3cccc(Br)c3)o2)cc1 19929119 ADKMHLRUIGDVEE-UHFFFAOYSA-N 411.708 5.357 0 40 HKAB S=c1[nH]ncn1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 22111835 ZPRLGJDHFWKIEU-UHFFFAOYSA-N 415.733 5.224 0 40 HKAB COc1cc(C(=O)N[C@H](c2ccccc2)c2ccccn2)ccc1OCc1ccccc1 29713124 JBQPFYADORRKIA-AREMUKBSSA-N 424.500 5.189 0 40 HKAB CCc1nnc(NC(=O)CSc2nc3ccccc3cc2CC2CCCC2)s1 35314059 HGQBOSOEACWXMP-UHFFFAOYSA-N 412.584 5.112 0 40 HKAB CCOc1ccccc1NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38834289 DOJGFQUHBHXWDR-HNNXBMFYSA-N 407.341 5.243 0 40 HKAB Cc1cccc(CN(Cc2ccco2)C(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)c1 48272820 XTIJSMAIPDEUFO-WZONZLPQSA-N 402.494 5.025 0 40 HKAB O=C(Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccccc1Cl 57243091 GECFIDMFKJFFNI-UHFFFAOYSA-N 423.919 5.054 0 40 HKAB COc1ccc2c(c1)NC1(CCN(Cc3c(F)cccc3Cl)CC1)c1cccn1-2 57719975 JDMBMKIMVWCVHZ-UHFFFAOYSA-N 411.908 5.195 0 40 HKAB O=C(c1cc(Br)ccc1F)N1CCC(c2cc3ccccc3[nH]2)CC1 58114712 FWGDKNAGKHAVPD-UHFFFAOYSA-N 401.279 5.089 0 40 HKAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)CCc1cccc(OC2CCCC2)c1 58355014 PJLWQCJAWBFOSB-UHFFFAOYSA-N 406.526 5.236 0 40 HKAB CCCCCCOc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2Cl)OC1=O 59488290 KXBCNZVSFCPCCE-CPNJWEJPSA-N 418.320 6.297 0 40 HKAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ncccc2C)C12CCCCC2 79484938 LUUWKJOCYUWIIP-NRFANRHFSA-N 405.542 5.071 0 40 HKAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 89640959 YKRQSZFCILUPST-UHFFFAOYSA-N 423.538 5.871 0 40 HKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3CC=CCC3)CC2)on1 100743820 FWSKQZUFRDNFFX-HSALFYBXSA-N 422.573 5.310 0 40 HKAB COc1ccc(C2=C/C(=C3\N=C(c4ccccc4)OC3=O)c3cc(C)ccc3O2)cc1 103831199 FRYBBNKJHFNCKW-DARPEHSRSA-N 409.441 5.152 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2cccc(C)c2)cc1 108901315 QDIUGICBDCTHLZ-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB CC(=O)N1CCC[C@H](Cc2cccc(Nc3ncc(-c4ccc(F)cc4)s3)n2)CC1 143351962 VIKLLSZAJAHRLE-KRWDZBQOSA-N 424.545 5.279 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccccc3SC)c3ccccc3n2)cc1 222630452 RCAVGNMNUJOIHD-UHFFFAOYSA-N 400.503 5.885 0 40 HKAB Cc1cccc(CSCC(=O)NCCSCc2ccc(Cl)cc2Cl)c1 222736582 POXDHQXYUNERQF-UHFFFAOYSA-N 414.423 5.585 0 40 HKAB Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 223113968 FWVPCIHKSWQEJF-XZOQPEGZSA-N 421.541 5.786 0 40 HKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)cc1 223751617 RAHMTXNAMIHSDV-XZOQPEGZSA-N 418.566 5.021 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1OCC 224615180 XGVXSRQYQKWXKU-QZTJIDSGSA-N 411.542 5.008 0 40 HKAB CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Br)cc1 224726692 RGUUDRBGAIVOKB-UHFFFAOYSA-N 418.312 5.067 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)[C@H](C)Oc3ccc4ccccc4c3)ccc21 225158014 OEOSYWZDSDMDEM-HNNXBMFYSA-N 406.507 5.203 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)cc1Cl 225578432 SECJBEZYYMJVNE-KRWDZBQOSA-N 418.946 5.106 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCC[C@@H](C)C3)cc2)CCCCC1 225657553 XJLXJMRJSUAKJQ-OAQYLSRUSA-N 416.606 5.255 0 40 HKAB CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 226344716 DKFCJYQWXPCLKD-UHFFFAOYSA-N 414.086 5.476 0 40 HKAB COc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2Br)o1 226766172 XKNJIJQZFNLAPB-UHFFFAOYSA-N 421.678 5.206 0 40 HKAB CCc1nnc(S/C(=C\c2c(-c3ccccc3)[nH]c3c(OC)cccc23)C(=O)O)o1 408632532 QYNUDOZRPFRINR-ATVHPVEESA-N 421.478 5.007 0 40 HKAB COc1ccc2cc(C(=O)Nc3ccccc3Sc3ccccc3)c(C)nc2c1 408713763 UFMYXXZCKHUMKR-UHFFFAOYSA-N 400.503 5.955 0 40 HKAB O=C(Nc1ccccc1Cl)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1 408724171 GYFPINPEYGYQIF-UHFFFAOYSA-N 423.903 6.598 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(C)(F)F)cc1 409002387 NOLKSKMROHKAHE-JOCHJYFZSA-N 420.887 5.232 0 40 HKAB CCOc1cc(C(=O)NCc2cccc3ccccc23)ccc1OCc1ccccc1 409078911 JCBSGHJKSHAPOC-UHFFFAOYSA-N 411.501 5.748 0 40 HKAB CCCN1C(=O)S/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)C1=O 409354790 AHCOITXVQSRQBQ-VCHYOVAHSA-N 422.333 6.019 0 40 HKAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccccc3Cl)[C@@](O)(C(F)(F)F)[C@@H]2C1 409357236 PMFZZMFCAJYNOR-TVZGQMOCSA-N 416.871 5.255 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1 1848355097 ZILDZGOXZQWLCA-NRFANRHFSA-N 409.533 5.102 0 40 HKAB CSc1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 1327378 FETMRCAIUYKFLJ-UHFFFAOYSA-N 400.935 5.350 0 40 HKAB CCOCC(=O)Nc1cc(C(F)(F)F)ccc1Oc1cccc(Br)c1 1893075 SBRQGMBGTRLZAX-UHFFFAOYSA-N 418.209 5.235 0 40 HKAB CC[C@H](C)OC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1 1915060 GSHOHWXKMGGJOT-UONOGXRCSA-N 400.858 5.222 0 40 HKAB Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccccc2F)c1 2410209 OMRPOZWIWAUUOV-QFIPXVFZSA-N 414.436 5.002 0 40 HKAB Cc1nc(Nc2ncc3c(n2)C[C@H](c2ccc(Cl)cc2)CC3=O)nc2ccccc12 2436021 UZFUHRPOPIUGMM-HNNXBMFYSA-N 415.884 5.038 0 40 HKAB Fc1cccc(CSc2nc(NCc3ccc(Cl)cc3)c3ccccc3n2)c1 2933038 KVIQPBNDJADENX-UHFFFAOYSA-N 409.917 6.327 0 40 HKAB Cc1ccc(Oc2ccc(OCC(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1 3173367 JXAIJBAOIJVFJA-UHFFFAOYSA-N 415.533 5.647 0 40 HKAB CCc1cccc(CC)c1NC(=S)/C(=C(\O)c1ccc(C)c(C)c1)[n+]1ccccc1 3303832 RPUQWLGOZLSSIH-UHFFFAOYSA-O 417.598 6.039 0 40 HKAB CCC(=O)N(CC[C@H](c1ccc(OC)cc1)C(C)C)Cc1ccc(OC(C)C)cc1 4043233 FMZJNQNGADLNRV-VWLOTQADSA-N 411.586 6.051 0 40 HKAB biogenic Cc1c(C)c(C)c(COc2ccc3c(C)c(CCC(=O)O)c(=O)oc3c2)c(C)c1C 4046686 JFJPTKMCCOZELF-UHFFFAOYSA-N 408.494 5.240 0 40 HKAB biogenic CCCCCC1CCC(c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)CC1 4050965 KBXCOZCIHYBZJJ-UHFFFAOYSA-N 413.414 7.523 0 40 HKAB CCOC(=O)N1CCN(CCCCCOc2ccccc2C2CCCCC2)CC1 4429336 JMEITPHRYWRYSY-UHFFFAOYSA-N 402.579 5.058 0 40 HKAB C[C@H]1N(C(=O)Nc2ccc(Cc3ccc(NC(=O)N4[C@H](C)C4(C)C)cc3)cc2)C1(C)C 4722668 QCENSHYDVVBAGD-ZAOMLUCHSA-N 420.557 5.307 0 40 HKAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C)cc2)n2c(nc3ccccc32)N1 4742063 LVNWNPPMRVQPQB-XMMPIXPASA-N 408.505 5.581 0 40 HKAB Cc1cc(=O)oc2cc(Oc3ncnc4scc(-c5ccc(F)cc5)c34)ccc12 4747758 DCOBTVAGIQKLCL-UHFFFAOYSA-N 404.422 5.705 0 40 HKAB Fc1ccc(-n2nc(-c3ccc(Cl)cc3)c3cnc4c(F)cc(F)cc4c32)cc1 4970341 LMXRSQUMJOHGTP-UHFFFAOYSA-N 409.798 6.311 0 40 HKAB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2cc(C)ccc2C)s1 6353956 LGHNOSRAYBTPAJ-UHFFFAOYSA-N 414.556 5.028 0 40 HKAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](C)c2ccc(C(C)C)cc2)cc1 6553533 VNUWQWJYBOUAEK-QGZVFWFLSA-N 406.526 5.414 0 40 HKAB O=C1CS[C@@H](c2ccccc2)N1c1nc(-c2ccc(Cl)cc2Cl)cs1 6927752 VIMGAGWGFWKMRY-KRWDZBQOSA-N 407.347 5.896 0 40 HKAB aggregator c1ccc(-c2cnc(CSc3nnc(N4CCCCC4)n3-c3ccccc3)o2)cc1 7072185 LFHGKEXEXMBJJL-UHFFFAOYSA-N 417.538 5.205 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](Nc1ccc2nc(C)sc2c1)c1ccccc1 7241989 LXPRVVIZSODJJK-QHCPKHFHSA-N 417.534 5.795 0 40 HKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1ccc(C)cc1 7511097 MRIUYWFWXWXNPW-UHFFFAOYSA-N 411.548 5.631 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccco2)Cc2cccs2)cc(C)c1Cl 9204393 POEFNWCNFHGCKM-INIZCTEOSA-N 403.931 5.608 0 40 HKAB Cc1cc(CSc2ncccc2C(=O)Nc2ccc(-c3csc(C)n3)cc2)no1 9446528 QYWGLDRSTJSGLC-UHFFFAOYSA-N 422.535 5.355 0 40 HKAB COc1ccc(/C=C(\Cl)c2nc3ccccc3c(=O)o2)cc1OCc1ccccc1 9461266 OJFNPAGJANQROO-UYRXBGFRSA-N 419.864 5.513 0 40 HKAB Cc1ccc(C)c(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2C)c1 9461638 MYMXZHRBHODILJ-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB Cc1nc2ccccc2nc1CS[C@@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 9596558 AMFZZAQNVWDNQC-IBGZPJMESA-N 419.594 5.041 0 40 HKAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1ccc(Cl)cc1 9670928 TUVLLJIDYIGAQV-UHFFFAOYSA-N 419.852 5.115 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2)cc1Cl 10119193 SLXYRADXCPXOIF-UHFFFAOYSA-N 404.853 5.090 0 40 HKAB COc1cccc2cc(-c3csc(NC(=O)c4ccc5ncsc5c4)n3)oc12 10748567 RAMSJTTXQOGQGZ-UHFFFAOYSA-N 407.476 5.427 0 40 HKAB Cc1cc(=O)n2c(-c3cccc(NC(=O)c4cccc5ccccc45)c3)csc2n1 11768172 BBLYLKJCYJXPDI-UHFFFAOYSA-N 411.486 5.137 0 40 HKAB Cc1cc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nc2ccccc12 12650978 MTFDZSANNWMCLJ-KGLIPLIRSA-N 419.377 6.208 0 40 HKAB O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1cccc(Cl)c1Cl 12813995 CLKJGRKKSLNXCG-UHFFFAOYSA-N 417.214 5.613 0 40 HKAB COc1ccc(-c2nc(-c3cccnc3)sc2Sc2ccc(Cl)cc2)cc1 12952375 WDDMUHDZJNVLSU-UHFFFAOYSA-N 410.951 6.685 0 40 HKAB Cc1cccc(C(=O)OC[C@H](Cc2ccccc2)NC(=O)Nc2ccc(Cl)cc2)c1 12955407 OZRJYCRBPQEVBI-QFIPXVFZSA-N 422.912 5.238 0 40 HKAB CCOc1ccc([C@@H]2CCCN2Cn2nc(-c3ccc(C)cc3)n(C)c2=S)cc1 12993422 ZIUWHKQYVUEBJG-NRFANRHFSA-N 408.571 5.120 0 40 HKAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)N(C1CC1)C(c1ccccc1)=N2 14017546 XUAXIACJGKLHHN-VWLOTQADSA-N 404.517 5.826 0 40 HKAB CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)cc1 14609439 OHBNWYIKGZZLKB-UHFFFAOYSA-N 418.884 5.239 0 40 HKAB O=C(c1ccccc1)[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 15227303 OZSZXMFQMKYKMV-RPLLCQBOSA-N 404.469 5.592 0 40 HKAB CCOc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccc(Cl)cc4)nc32)cc1 15842266 DPKUBYOGDIDCSE-UHFFFAOYSA-N 417.900 5.404 0 40 HKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1nc2c(C)ccc(C)c2s1 17090991 COOBFGBOCXGUNH-RMKNXTFCSA-N 417.328 5.336 0 40 HKAB CCOc1ccc2oc(C)c(C(=O)Nc3c(C)c(-c4ccc(OC)cc4)nn3C)c2c1 19519899 NNQHSWTYXQXTST-UHFFFAOYSA-N 419.481 5.110 0 40 HKAB CCOc1ccccc1-c1ccccc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 19659982 VINOOKMRQIKKBZ-UHFFFAOYSA-N 411.505 5.807 0 40 HKAB Cc1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nc2c1 20807931 UJAOLNKMOZJBRD-NTCAYCPXSA-N 420.468 6.715 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCCC2)c(F)c1 21576441 YUKGGMZBMCKMCS-ZDUSSCGKSA-N 411.304 5.529 0 40 HKAB O=C(C[C@H]1Sc2ccccc2NC1=O)OCc1sc2ccccc2c1Cl 21976075 MSVPLNJCXDBLHA-OAHLLOKOSA-N 403.912 5.101 0 40 HKAB CC[C@@H](C(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@@H]1c1ccccc1)c1ccccc1 28047904 MZJSCDHBBLGBHP-YKSBVNFPSA-N 418.924 5.404 0 40 HKAB Cc1c(C(=O)N(Cc2ccc(C(C)C)cc2)c2ccccn2)oc2ccc(F)cc12 28286890 AOOOUYVFSQMYOP-UHFFFAOYSA-N 402.469 6.246 0 40 HKAB O=C(COc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)Nc1cccc(Cl)c1 33327341 MPYQKTPRUBLEFH-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB O=C(CN1C(=O)CSc2ccccc21)Nc1ccccc1Oc1ccccc1Cl 40009598 AYZWSSZHQYFSHV-UHFFFAOYSA-N 424.909 5.210 0 40 HKAB CN(C(=O)COc1ccc2ccccc2c1)[C@@H](c1cccc(F)c1)c1ccccn1 58312022 NLFWJMVABWXHGE-VWLOTQADSA-N 400.453 5.001 0 40 HKAB O=C(Nc1cccc(C(=O)c2ccccc2)c1)c1ccc(C2SCCCS2)cc1 65521277 IYMAMDHWPVIBJT-UHFFFAOYSA-N 419.571 6.039 0 40 HKAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c(C)c1 67289818 GYJDWIZJNFZEIH-UHFFFAOYSA-N 416.550 5.361 0 40 HKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 71794770 CUHMGVPDJSAJAF-UHFFFAOYSA-N 411.490 5.081 0 40 HKAB C[C@H]1[C@@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 95098843 WQLVFSAGQJTQCK-SPCOCDIZSA-N 414.630 5.714 0 40 HKAB biogenic C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@H](C)[C@H]4[C@H]5C[C@H]6C[C@@H]5CC[C@@H]4C6)[C@H]3C=C12 100746560 QYESPJZMQFTGIX-WHYGAJHYSA-N 411.630 5.351 0 40 HKAB OC1=C2C(=Nc3ncnn3[C@H]2c2cc(F)cc(F)c2)C[C@@H](c2cccc(Cl)c2)C1 102709290 XVNWVLQLJSYQML-ODXCJYRJSA-N 412.827 5.275 0 40 HKAB CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(Br)c1OCC 106971642 LXBBEIXGTYKETI-UHFFFAOYSA-N 419.146 6.165 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1 107538609 IOAAGNQEVJVXDV-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 214880163 YGIXTXGWWDWRQK-BUHHDHKDSA-N 404.318 6.176 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219387885 BHASRBBGJLXPTO-QUCCMNQESA-N 419.974 5.638 0 40 HKAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 223878065 UQFLNRHRHLUSLB-XZOQPEGZSA-N 418.566 5.271 0 40 HKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 224018443 YUQIJCBVHMDIIY-ZDUSSCGKSA-N 409.898 5.418 0 40 HKAB CCCOCc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC 224415238 LOENNEFCOZCIOH-UHFFFAOYSA-N 405.494 5.453 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1cc(C)cc(C)c1C 224607221 OOMRGLLTIOYUOH-NRFANRHFSA-N 417.549 6.081 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1ccc(C)c(C)c1 224622174 DEFZNLMICORXMH-UHFFFAOYSA-N 419.521 5.932 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccccc3CCc3ccccc3)ccc21 225157739 GJEPILOWYFLBKH-UHFFFAOYSA-N 416.546 5.681 0 40 HKAB Cc1ccc([C@H](NC(=S)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 225509062 RKPUTIPBDWFHQA-HXUWFJFHSA-N 400.469 6.090 0 40 HKAB CC(C)Oc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cc1 225867459 LMIYFTNYOVCDAK-UHFFFAOYSA-N 417.018 6.359 0 40 HKAB O=c1[nH]c2c(s1)[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 245225863 VTAYVTORGQTMSX-HSROGRKHSA-N 421.587 5.668 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2cccc3ccccc23)nc1-c1ccc(F)cc1 408699731 VZPJXVBCIOTQHW-UHFFFAOYSA-N 422.463 5.787 0 40 HKAB O=C(CCC(=O)c1ccc(Br)cc1)Nc1cc(Cl)cc(Cl)c1 408834104 SZGMVRSBBQPEDV-UHFFFAOYSA-N 401.087 5.358 0 40 HKAB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)cc1C 408919481 YNHRLJIJEYXMNJ-QQNJPBSNSA-N 413.904 5.051 0 40 HKAB C[C@@H](NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2)c1ccccc1 409167793 NHDBOUACFMYXBR-MAKPPOPUSA-N 422.572 6.474 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc2C)cc1 409380767 HULRGHGJWNUZQH-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB c1ccc(COC[C@H]2SC[C](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1 1560404595 OLHSFPMMOFWAMN-FTJBHMTQSA-N 419.566 5.653 0 40 HKAB CC[C@H](C)CCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O 1703925 CFMPKQVSCLXKNN-ZETCQYMHSA-N 402.101 5.982 0 40 HKAB CCCc1ccc(C(=O)N2c3c(C)cccc3[C@H](Nc3ccccc3C)C[C@@H]2C)cc1 1816166 KFIOUAKHOAUKID-HFZDXXHNSA-N 412.577 6.848 0 40 HKAB CCCCOC(=O)COc1ccc2c(=O)c(Oc3cc(C)cc(C)c3C)coc2c1 1915420 KDYVPABOUFVAJT-UHFFFAOYSA-N 410.466 5.233 0 40 HKAB c1ccc(OCCn2c(SCc3cccc4ccccc34)nc3ccccc32)cc1 2059019 WGZIFNXSEWYAPX-UHFFFAOYSA-N 410.542 6.561 0 40 HKAB CCSc1nc(NCCc2ccccc2)c2c3c(sc2n1)CO[C@](C)(CC)C3 2244839 BUUDIYSFIZZBPS-JOCHJYFZSA-N 413.612 5.699 0 40 HKAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1c(Cl)cccc1Cl 2265030 DNWXOKAEYHYWCF-AVRWGWEMSA-N 402.258 5.079 0 40 HKAB CC[C@H](C)OC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 2422890 ZYCNRCBWLNKCSU-HNNXBMFYSA-N 402.498 5.235 0 40 HKAB Cc1ccc(-c2cc(C(=O)NCc3ccco3)c3cc(Br)ccc3n2)cc1 2758388 UMKMENPQFCOSEC-UHFFFAOYSA-N 421.294 5.496 0 40 HKAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC1CCCCCCC1 2777838 MWOLEFUROIZUOI-UHFFFAOYSA-N 413.465 5.077 0 40 HKAB O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCCCC1 2861505 GGRKZCFKHYAAJB-UHFFFAOYSA-N 402.454 5.558 0 40 HKAB aggregator Clc1ccc(-c2nc3ccccc3n2OCc2ccc(Cl)cc2Cl)cc1 3052856 ZXHGDABTUSABLI-UHFFFAOYSA-N 403.696 6.292 0 40 HKAB CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 3666984 QJRVWMAVYDXNLM-NRFANRHFSA-N 413.304 6.163 0 40 HKAB O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cccc(Br)c3)[C@@H]12 4119529 MMLHVFADLFMJOB-DENIHFKCSA-N 420.331 6.229 0 40 HKAB CCc1ccc2ncc(C(=O)c3ccccc3)c(S(=O)(=O)c3ccc(C)cc3)c2c1 4313898 JQTAVLKYYREWHK-UHFFFAOYSA-N 415.514 5.169 0 40 HKAB COc1ccc(-c2c(C)c3cc(OCc4cccc(OC)c4)ccc3oc2=O)cc1 4340610 UBADHOFLWRNYSI-UHFFFAOYSA-N 402.446 5.365 0 40 HKAB biogenic CCCCCCOc1ccc(C(=O)OC2COC(c3ccc(Cl)cc3)OC2)cc1 4558249 VHAHEYUJKBUFBB-UHFFFAOYSA-N 418.917 5.570 0 40 HKAB C[C@H](CC(=O)N[C@H](C)c1ccccc1)CC(=O)N(c1ccccc1)c1ccccc1 4715696 OFPVYRAZKRUJIT-NHCUHLMSSA-N 400.522 5.645 0 40 HKAB CCc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(C)c(C)c4)c3c2c1 4970339 SHWMNKUFQYCMSN-UHFFFAOYSA-N 411.936 7.073 0 40 HKAB COc1ccccc1Oc1c(-c2ccc(OCc3ccccc3)cc2O)n[nH]c1C 5190694 HEPRQORDROPEAR-UHFFFAOYSA-N 402.450 5.471 0 40 HKAB O=C1Nc2ccc(Br)cc2/C1=C/c1ccc(-c2ccccc2Cl)o1 5898974 CSXMCDRWTDKYNW-GDNBJRDFSA-N 400.659 5.855 0 40 HKAB CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1 5984500 CDPSVYRGHSGEJT-SNVBAGLBSA-N 413.326 5.003 0 40 HKAB O=C(COc1ccc(Br)cc1)Nc1ccccc1-c1nc2ccccc2[nH]1 6017225 WFOQFHOHIFWKHM-UHFFFAOYSA-N 422.282 5.010 0 40 HKAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1cccs1 6029753 LFLPFLWJJYPOHV-UHFFFAOYSA-N 412.927 5.019 0 40 HKAB COc1cccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)c1 6161537 WJWXYXKNOSEYKQ-UHFFFAOYSA-N 422.337 5.100 0 40 HKAB CCOc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3c2ccc2ccccc32)cc1 6600847 SYESIKBVOLDGPT-UHFFFAOYSA-N 405.501 5.981 0 40 HKAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)cc1Cl 7928640 OTNVATGUKKLAQN-IBGZPJMESA-N 405.881 5.274 0 40 HKAB Cc1ccc(Nc2c(S(=O)(=O)c3ccccc3)cnc3ccc(F)cc23)cc1C 8023374 OHKXXKJYDRPEMW-UHFFFAOYSA-N 406.482 5.567 0 40 HKAB C[C@@H](NC(=O)CN1CCC(c2nc3ccccc3s2)CC1)c1ccccc1Cl 8201938 ZYSOZDLIQCQGIO-OAHLLOKOSA-N 413.974 5.007 0 40 HKAB Cc1csc(SCc2c(C(=O)N[C@@H](C)c3cccs3)oc3ccccc23)n1 8323950 XWRHFIZKBWKYKI-ZDUSSCGKSA-N 414.577 6.043 0 40 HKAB Cc1ccc(C)n1N(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)c(Cl)c1 8475555 GMMPQIQFIHAJBH-UHFFFAOYSA-N 407.728 6.044 0 40 HKAB O=C(NCCc1ccccc1)c1cc(-c2ccccc2)nc2[nH]nc(-c3ccccc3)c12 8592375 AHQPUXUCWRPAOH-UHFFFAOYSA-N 418.500 5.264 0 40 HKAB aggregator CC(C)c1ccc(-c2nc3cc(NC(=O)Cc4ccc(Cl)cc4)ccc3o2)cc1 8902972 UOHROAMOEDHQKF-UHFFFAOYSA-N 404.897 6.453 0 40 HKAB C[C@H](NC(=O)c1ccccc1Oc1ccccc1)c1nc2ccccc2n1C(F)F 9115068 KRJSNICJTJEGHE-HNNXBMFYSA-N 407.420 5.715 0 40 HKAB COc1ccc(/C=C/c2nnc(NC(=O)CSc3ccc(Cl)cc3)s2)cc1 9360361 JTFVGFOUDFSZFO-NYYWCZLTSA-N 417.943 5.101 0 40 HKAB Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@@H](c1cccnc1)O2 12311677 NTSXZTJFYARBHS-VQIMIIECSA-N 412.312 5.148 0 40 HKAB Cc1ccc(CNc2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)cc1 12419555 QCYJLMFSRAVPLF-UHFFFAOYSA-N 410.520 5.156 0 40 HKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H](c2ccccc2Cl)N1 12574476 XDEGGNAXHGDGBD-NRFANRHFSA-N 417.921 5.872 0 40 HKAB O=C(CSc1c(Cl)cccc1Cl)N1CCC[C@H]1c1nc2ccccc2[nH]1 12628927 SWRRVFFGYNUFSM-INIZCTEOSA-N 406.338 5.326 0 40 HKAB CCCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1 12651263 XSSDXKYFMOZINA-UHFFFAOYSA-N 400.478 6.153 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccccc1SCc1ccc(Cl)cc1 13669581 FZHTZLCZGIWLTO-UHFFFAOYSA-N 413.926 5.902 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CSc3ccccc3)cc2)c1 13670638 KEXCGRLUZTXNDU-UHFFFAOYSA-N 405.519 5.716 0 40 HKAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1SCc1ccsc1 14199661 IPEUIQJNXWDWDK-UHFFFAOYSA-N 406.532 5.106 0 40 HKAB Cc1cccc(C)c1OCCCn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 15833675 RHEUQTWPQQSDEC-IBGZPJMESA-N 417.509 5.206 0 40 HKAB COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)c1 16032480 NGTYIDRNJTUKEY-IHTOVQNNSA-N 407.554 5.085 0 40 HKAB COc1ccc(NCc2c(OCc3ccccc3F)ccc3ccccc23)cc1Cl 16226882 KOCVOSOADLAHMF-UHFFFAOYSA-N 421.899 6.832 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C2SCCS2)cc1 16497441 NNFVDEXWLVLVIX-HXUWFJFHSA-N 410.564 5.068 0 40 HKAB COc1ccc(/C=C/C(=O)Oc2cc(-c3ccccc3)c3oc(=O)sc3c2)cc1 16751529 MKULSZIZDYQAGB-FMIVXFBMSA-N 404.443 5.149 0 40 HKAB COP(=O)(OC)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccc(C)cc1 16806383 IXIBCHLRZIMGHT-UHFFFAOYSA-N 406.806 5.027 0 40 HKAB COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccc(C)c(Cl)c3)nc2c1 17087533 LSZIKTGMKROIFB-UHFFFAOYSA-N 406.869 6.026 0 40 HKAB COc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3ccc(C)c(Cl)c3)c1-2 18102508 KFZOUGJVNAEBJU-QOCHGBHMSA-N 402.972 6.340 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 20108065 KRIGMOUQOFFNRJ-RUZDIDTESA-N 408.586 5.444 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1sc2ccccc2c1Cl 20139519 FNVSMKPVGXOMQO-UHFFFAOYSA-N 418.301 6.213 0 40 HKAB Clc1ccc(COc2ccc(CNC3C4CC5CC(C4)CC3C5)cc2)c(Cl)c1 22073782 AHLTZXPFTYICOL-UHFFFAOYSA-N 416.392 6.487 0 40 HKAB C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1Nc1cccc(C(F)(F)F)c1 23467649 SOOXDUICTSBYRM-HXOBKFHXSA-N 424.466 6.293 0 40 HKAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 23765947 ZLVOGZCKIXKFCJ-ZDUSSCGKSA-N 404.844 5.425 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3cccs3)N3CCCCCC3)oc2c1 27993397 UNCUOTMQCPZZKO-IBGZPJMESA-N 410.583 5.767 0 40 HKAB CCCc1ccc([C@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)c2cccs2)cc1 32885640 WFUNENBDQVNXOX-CVDCTZTESA-N 404.535 5.032 0 40 HKAB O=S(=O)(NCCC(c1ccccc1)c1ccccc1)c1cccc(Cl)c1Cl 34201368 WADCGNOIAPGTMF-UHFFFAOYSA-N 420.361 5.494 0 40 HKAB CCN(C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1nc2ccccc2s1 39515808 LWDLJBOWHMBEEW-UHFFFAOYSA-N 421.136 5.972 0 40 HKAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cc(Cl)ccc1Oc1ccccc1 40049317 YPLCZZSTBLRNMZ-FQEVSTJZSA-N 424.909 5.574 0 40 HKAB COc1ccc(CC[C@H]2CCCCN2C(=O)Nc2c(C)cccc2C(C)C)cc1OC 58326961 DFNMQNJPKWJHDI-OAQYLSRUSA-N 424.585 6.155 0 40 HKAB O=C(c1cnc2ccc(Cl)cc2c1Nc1ccc(Cl)cc1Cl)N1CCCC1 64658311 VGIRZADYSIWPJO-UHFFFAOYSA-N 420.727 6.175 0 40 HKAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(OCc2ccccc2)nc1 72212050 AWEZYSKNTHTURT-HSZRJFAPSA-N 402.494 5.524 0 40 HKAB CC(=O)Oc1c(C)cc(C)cc1CN(C)Cc1cc(Cl)cc(Cl)c1OC(C)=O 90367255 YNWBLNJCCJYDRA-UHFFFAOYSA-N 424.324 5.093 0 40 HKAB Fc1cccc([C@@H]2C=C(c3cccc(Br)c3)Nc3nc4ccccc4n32)c1 102795070 NEHLCOYSSYCOLE-NRFANRHFSA-N 420.285 5.994 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)[C@@]2(C)C[C@H]3C=C[C@H]2C3)c1C 112250540 OVRVLNVNNFSXGL-MHPIHPPYSA-N 420.557 5.093 0 40 HKAB CC(=O)OC[C@H](OC(C)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118924931 RZMRLFZKLOVKNA-AYFIDHIXSA-N 404.591 5.530 0 40 HKAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222804508 IEXOMWUTYONIFH-RBUKOAKNSA-N 418.349 5.641 0 40 HKAB C[C@@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc2c(c1)CCC2 223225224 KSCWOURZOGRHNC-MRXNPFEDSA-N 414.952 5.057 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NC(C)(C)C)cc1 223306345 OEHINYOHYDKFPC-XMMPIXPASA-N 422.613 5.212 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1C 224264748 ZZTFTMFPSOJWJT-RPWUZVMVSA-N 418.610 5.875 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1COC(C)C 224426258 ZPKHAEJOSXLMEL-UHFFFAOYSA-N 401.812 5.545 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1cc(C)cc(C)c1C 224608530 GVZAXFSUYSEEIB-UHFFFAOYSA-N 417.549 6.404 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)NCCSCc1ccccc1Cl 225346182 PDHLPMNYWCZKCN-UHFFFAOYSA-N 402.774 5.629 0 40 HKAB CN1CCC(Oc2ccc(NC(=O)CCc3c(Cl)cccc3Cl)cc2)CC1 225362361 QEILKANKQPYRBF-UHFFFAOYSA-N 407.341 5.038 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c2ccccc12 225772948 NYUKCLCUUQWXEB-UHFFFAOYSA-N 417.549 6.014 0 40 HKAB COc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1 408554324 DEIXFDGOYGTEOC-UHFFFAOYSA-N 416.502 6.172 0 40 HKAB O=C(N1CCC2(CCN(Cc3ccccc3)CC2)CC1)C12CC3CC(CC(C3)C1)C2 408602994 ACLJDCNKNCMNJP-UHFFFAOYSA-N 406.614 5.108 0 40 HKAB O=C(c1ccccc1-c1ccccc1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 408603243 BQUYAWRWDYZBFD-UHFFFAOYSA-N 424.588 5.872 0 40 HKAB Fc1ccc(NCc2cccc(OCc3ccc(Br)cc3)c2)cc1Cl 408610003 PZVIMMLORAOECT-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 408625441 YFHMTQHNJQALSQ-UHFFFAOYSA-N 400.588 5.109 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)c(C)c1 408695464 QORQAYVQQPRWBW-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cccc(Br)c2)S1 408807827 OYRFFVNEHGLICD-UHFFFAOYSA-N 408.728 5.174 0 40 HKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(OC)cc2)nc1-c1ccccc1 409207227 QQJJSPMIEZGKMA-UHFFFAOYSA-N 408.523 5.373 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br 585655881 FDWAOUWBDJOHDS-UHFFFAOYSA-N 424.382 6.478 0 40 HKAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)Nc3ccccc3)C3CCCC3)cc2c1 931493 WBPPSURBJHIHGO-UHFFFAOYSA-N 405.567 5.287 0 40 HKAB Cc1ccc2nc(-c3ccc(-c4cccc(Br)c4)o3)cc(C(=O)O)c2c1 934725 CFZBJPZTTARIGP-UHFFFAOYSA-N 408.251 5.931 0 40 HKAB Cc1nc(Oc2ccc(NC(=O)c3cccs3)cc2)c2c3c(sc2n1)CCCC3 1061183 XLGNJADZCUBYHA-UHFFFAOYSA-N 421.547 5.985 0 40 HKAB C[C@@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc2N1C(=O)c1ccccc1 1381820 CLKIDUWUSJCONU-MRXNPFEDSA-N 424.422 5.288 0 40 HKAB Nc1c(-c2ccc(F)cc2)cnc2nc(SCc3c(Cl)cccc3Cl)nn12 1384807 USSDYVPBAZRJIW-UHFFFAOYSA-N 420.300 5.112 0 40 HKAB CCCn1cnc2c(NS(=O)(=O)c3cc(Cl)ccc3Cl)c(C)c(C)cc21 1388581 CICTVANHMBODFT-UHFFFAOYSA-N 412.342 5.171 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)/C(Br)=C/c1ccccc1 1809056 CDWAKBKUTFIIEH-WQLSENKSSA-N 404.613 5.733 0 40 HKAB Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)Nc3ccccc3)c2c1 2078792 IQQZPIQVGDGHJS-UHFFFAOYSA-N 417.306 6.225 0 40 HKAB CCOc1ccc2nc(SCC(=O)c3ccc4c(c3)Cc3ccccc3-4)sc2c1 2150934 OSRHSFPNFSABGI-UHFFFAOYSA-N 417.555 6.241 0 40 HKAB CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@@H](C(C)(C)C)C3 2356889 JOYVOIXHIDUJPA-OAHLLOKOSA-N 412.624 6.019 0 40 HKAB CCc1c(C)sc(NC(=O)C2c3ccccc3Oc3ccccc32)c1C(=O)OC 2503064 XSKRNHLSJOSCNQ-UHFFFAOYSA-N 407.491 5.282 0 40 HKAB CC(C)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1 3171774 UARCQCIHUNTJKE-UHFFFAOYSA-N 424.551 5.359 0 40 HKAB CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 4281973 SDAMCNIMHRYSMR-UPVQGACJSA-N 404.897 5.981 0 40 HKAB C[C@@H](Sc1nnnn1-c1ccc(OC(F)(F)F)cc1)c1ccccc1Cl 5239440 CNRFRLUDLCVKAM-SNVBAGLBSA-N 400.813 5.068 0 40 HKAB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1ccccc1Cl 5712164 CLYVRIVTBZZACV-UHFFFAOYSA-N 416.864 5.351 0 40 HKAB Cc1nc2nc(SCc3cccc(C(F)(F)F)c3)[nH]c2cc1Br 6200557 BRUXNTKDEUJNLV-UHFFFAOYSA-N 402.239 5.340 0 40 HKAB Cc1ccc(-c2csc3ncnc(Oc4ccc5c(C)cc(=O)oc5c4)c23)cc1 6215323 URKRINQXTDVLTB-UHFFFAOYSA-N 400.459 5.874 0 40 HKAB aggregator O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc(C2CCCCC2)cc1 6472121 ZJLNHGOVKXCPKD-UHFFFAOYSA-N 416.492 6.366 0 40 HKAB Cc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)nc2c1 6566831 LFRCZQRGFBLJKX-INIZCTEOSA-N 403.507 5.783 0 40 HKAB CC[C@H](C)C(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccco2)c2ccccc21 6662361 NRNRYUUUBITFNB-SFYKDHMMSA-N 416.521 5.839 0 40 HKAB CCCCn1nc(C)c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1Cl 8036973 ZVRSNBLRPPOYCX-UHFFFAOYSA-N 416.978 5.275 0 40 HKAB O=C(CSc1ccccc1C(=O)Nc1ccc2ccccc2c1)NCc1ccco1 8132136 DJONHULWECMYGL-UHFFFAOYSA-N 416.502 5.094 0 40 HKAB c1ccc(Oc2cccc(OCCOCCN3CCCC[C@H]3c3cccnc3)c2)cc1 8744560 YSGJOMYLZFTKJP-SANMLTNESA-N 418.537 5.497 0 40 HKAB biogenic Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(Cl)cc1)N(c1nccs1)C3=O 9328333 SQKWYUFZHFLGQQ-SFHVURJKSA-N 422.893 5.270 0 40 HKAB O=C1c2ccccc2[C@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1Cc1ccco1 9668419 DSDJYBCBXSCJSY-AREMUKBSSA-N 422.459 6.312 0 40 HKAB O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cccc(Cl)c1 9730571 RKEASPIFHAXHIX-UHFFFAOYSA-N 419.214 6.332 0 40 HKAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCc2ccccc2)cc1F 12371130 VPDMLBDCTSVKDV-LCUIJRPUSA-N 404.510 5.839 0 40 HKAB O=C(O)C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(OC2CCCC2)cc1 12429072 FRNVSCZIFPPKFD-IBGZPJMESA-N 422.308 5.261 0 40 HKAB Cc1cc(NC(=O)/C=C\c2ccccc2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442020 YZOQCHCUBDSMJK-GHXNOFRVSA-N 404.470 5.095 0 40 HKAB Cc1cccc(-c2nn(CN(C)[C@@H](C)c3nc4ccccc4s3)c(=S)n2C)c1 12745013 MEMIUJWGXUUGEC-HNNXBMFYSA-N 409.584 5.187 0 40 HKAB COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cccc(C)c2C)cc1 13584618 QLYRQKCPDHFYEF-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB CCCCCn1c([C@H](Cc2ccccc2)NC(=O)c2ccccc2)nc2ccccc21 13596139 RZRYGJVGLSHGQY-DEOSSOPVSA-N 411.549 5.940 0 40 HKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 13685405 OMFZEVORLXFWJJ-LJQANCHMSA-N 424.500 5.176 0 40 HKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccccc1Cl 14397742 NXWMOHOHOSQZHA-INIZCTEOSA-N 405.991 5.454 0 40 HKAB CC(C)(C)c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 14674336 OPJZVIVWHDRADM-UHFFFAOYSA-N 400.551 5.919 0 40 HKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3C)c2)c1 15542040 UQTLPCWZWTWTJL-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(Cc3cccc(C(F)(F)F)c3)n2)cc1 17087317 ALYVMNOGSUZOSS-UHFFFAOYSA-N 406.451 6.901 0 40 HKAB O=C(NCc1c(-c2ccc(Cl)cc2)nc2n1CCS2)c1cccc2ccccc12 17201150 OVMQNCVTKJRINW-UHFFFAOYSA-N 419.937 5.392 0 40 HKAB COc1cccc(C(=O)N2CCC[C@@H]2c2cc(-c3ccccc3)cc(C)n2)c1OC 19690758 CSVXFPJKXQHJSJ-JOCHJYFZSA-N 402.494 5.052 0 40 HKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)NCc1ccc(Cl)cc1Cl 22237643 KPDNSCORZVFMLE-UHFFFAOYSA-N 406.338 5.456 0 40 HKAB O=c1cc(CSc2nc3cc(Cl)ccc3s2)nc2sc3ccccc3n12 24830321 JVAYKBBXFTWRFR-UHFFFAOYSA-N 415.952 5.465 0 40 HKAB COc1ccc(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 27744373 WFKSGRIEJAPHIH-HXUWFJFHSA-N 404.897 5.392 0 40 HKAB COc1ccc(-c2nc(CSCC(=O)N[C@@H](C)c3cc4ccccc4o3)co2)cc1 31433453 IYMGBYPBEQWSMX-HNNXBMFYSA-N 422.506 5.207 0 40 HKAB COc1ccc(-c2nc(CSCC(=O)N[C@H](C)c3cc4ccccc4o3)co2)cc1 31433456 IYMGBYPBEQWSMX-OAHLLOKOSA-N 422.506 5.207 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3nc(-c4cc(C)sc4C)cs3)n[nH]2)cc1 35317078 HYKLVZGVTYIRSI-UHFFFAOYSA-N 410.524 5.139 0 40 HKAB COc1ccccc1-n1cc(-c2ccccc2)c2c(NCc3cccnc3)ncnc21 39404163 KCJZLPGJBMLQID-UHFFFAOYSA-N 407.477 5.103 0 40 HKAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)c1 40040618 VZKYMKNUYZZIPW-MRXNPFEDSA-N 421.884 5.174 0 40 HKAB CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cccc(Cl)c1C 41078099 LIMYKVXFGVFYEU-UHFFFAOYSA-N 411.933 5.551 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2Cl)c(C)c1 67297216 APKROSNCOGMAAK-PNHLSOANSA-N 402.881 6.188 0 40 HKAB COc1ccccc1[C@@H](C)N(C)C(=O)c1sc(-c2ccccc2Cl)nc1C 84064717 BMEXVTMKRYWSHN-CQSZACIVSA-N 400.931 5.614 0 40 HKAB O=C(c1ccccc1Cl)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 84497889 PWLRFSGCYPTTSM-GBEIRUDASA-N 406.869 5.963 0 40 HKAB CCCSC1=NC2(CCN(C(=O)Nc3ccccc3C)CC2)N=C1c1ccccc1 96399302 BZXIZKQPDTZHTL-UHFFFAOYSA-N 420.582 5.364 0 40 HKAB O=C(Nc1ccc(C23C[C@@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1cccs1 100484467 YZWSNRVLZSNSPQ-KDGKYOGISA-N 413.586 6.790 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccccc2-c2ccccc2)cc1 102632490 BCIMCGGUVWTANB-UEUXDIAVSA-N 407.469 5.457 0 40 HKAB COc1cc(CNc2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 106959843 XMHJITSQQBSRBH-UHFFFAOYSA-N 412.327 5.957 0 40 HKAB Cc1ccc2nc(C)cc(OCC(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)c2c1 141564929 VDTOXDJPICRRFB-HXUWFJFHSA-N 417.553 5.244 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1C(C)C 223337223 RRSWGAIHAOTNGJ-CTNGQTDRSA-N 422.613 5.850 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 224198799 LEVSKZPKBZLCGZ-PKTZIBPZSA-N 402.567 5.484 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1-c1ncc(-c2ccccc2)o1 224893729 YNODITOWNNBDAY-UHFFFAOYSA-N 409.272 6.568 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(N2CCCCC2)cc1 224940881 RVBDCLAJSAMLFH-UHFFFAOYSA-N 409.382 5.856 0 40 HKAB CCC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224946340 HZAZNKUODYUOCG-CQSZACIVSA-N 413.315 5.690 0 40 HKAB Cc1ccc(C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c(I)c1 225024933 VBRMFUORVHKKOU-CQSZACIVSA-N 421.322 5.388 0 40 HKAB COc1cc(C)c(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1C(C)C 225658278 NNUCQGJHUMUNPK-UHFFFAOYSA-N 405.563 6.672 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225674911 OGDAJFUYLYMQJB-KRWDZBQOSA-N 418.946 5.024 0 40 HKAB COc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1 253497879 YIPJBSXSAMSSSQ-LVBUGXGYSA-N 410.598 5.453 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)C(/C=C\c4ccccc4)=CC[C@H]32)C1 253617254 FLDVEKQSXXBPDV-JGTJBOEESA-N 418.621 7.211 0 40 HKAB Cc1cccc(CNC(=S)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c1 408572740 IAAATRBYDZKWMF-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc3ccccc3c2)nc1-c1ccccc1 408696653 DDBGKKMKHKPRQS-UHFFFAOYSA-N 404.473 5.648 0 40 HKAB O=C(Nc1ccc2ccccc2c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 408697294 INZXGLGCBYORMC-UHFFFAOYSA-N 424.891 5.993 0 40 HKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccccc2)cc1 409107681 TUSBNCVGJNEHRV-UHFFFAOYSA-N 415.562 5.592 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1F 409120997 VCHLBBXFHLPNMW-UHFFFAOYSA-N 413.920 6.686 0 40 HKAB CC(C)Cn1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)c2ccccc21 409140080 PUKXGHRFOJLHNY-UUYOSTAYSA-N 418.518 5.217 0 40 HKAB Cc1ccc(-c2c3c(nc4sc(C(=O)Nc5ccc(F)cc5)c(N)c24)CCCC3)o1 756798 QWEOUSXWXDJASC-UHFFFAOYSA-N 421.497 5.717 0 40 HKAB CCc1cccc(C)c1NC(=O)CSc1nc2cc(OC)c(OC)cc2cc1C 933037 NMBARZKDOOIQSW-UHFFFAOYSA-N 410.539 5.162 0 40 HKAB Cc1sc2nc(C(C)C)n3c(SCC(=O)c4cccs4)nnc3c2c1C 1336270 ZGWPTEIFCJRCEF-UHFFFAOYSA-N 402.570 5.116 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(F)cc4)c3)oc2c1 1413903 KHFLRMRLCVRLEX-UHFFFAOYSA-N 419.481 5.378 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc(F)c(F)c1 1509532 LAONQBLRXVFVCE-UHFFFAOYSA-N 420.440 5.572 0 40 HKAB O=C(c1ccc(Cl)cc1)N(C(=O)N1CCC(c2ccccc2)CC1)c1ccccc1 1651724 DGLIGBGGTOVBEV-UHFFFAOYSA-N 418.924 5.986 0 40 HKAB CCCCCOc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1 1824859 IDDLOHVXVNHJTA-RGEXLXHISA-N 414.299 5.363 0 40 HKAB CCCCSc1nnc([C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1 2195154 CGOVICVGULLSKD-KRWDZBQOSA-N 416.547 5.252 0 40 HKAB CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2Cl)o1 2207289 JSJJGCWYVWOYIY-HNNXBMFYSA-N 411.955 5.627 0 40 HKAB CCOc1ccc(-n2c(C)c(C(=O)c3ccccc3)c3cc(OC(C)=O)ccc32)cc1 2248200 UFTDTWJWBCQRHH-UHFFFAOYSA-N 413.473 5.494 0 40 HKAB CC[C@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCc4ccccc4)c23)CO1 2425199 CGQUGNDSZMYZNC-JOCHJYFZSA-N 413.612 6.045 0 40 HKAB FC(F)(F)c1ccccc1Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 2646394 IQXSLBGMVOLKFR-UHFFFAOYSA-N 402.485 7.620 0 40 HKAB Fc1ccc(C2=C[C@H](c3ccccc3OC(F)F)n3c(nc4ccccc43)N2)cc1 2918048 BKHCEDUAGLQRAI-HXUWFJFHSA-N 407.395 5.833 0 40 HKAB Cc1cc(C)cc(OCCOc2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)c1 2987823 SLYWXERLCLRQQM-JJIBRWJFSA-N 413.473 5.106 0 40 HKAB O=C(Nc1ccc(F)cc1F)c1sccc1OCc1c(Cl)cccc1Cl 3134815 KFTXDTPQXUVMLX-UHFFFAOYSA-N 414.260 6.164 0 40 HKAB O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1cc(Cl)cc(Cl)c1 3216357 UHPFXOYIKJJZCL-UHFFFAOYSA-N 414.288 5.380 0 40 HKAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(OCc2ccccc2)cc1 3644794 IKFJTYLOCTZRSG-UHFFFAOYSA-N 408.457 5.018 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3o2)cc1 4122971 KCGVJNMHJUPCBO-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2Nc2ccc(F)cc2)cc1 4335281 SWJXHYOTVUFSBB-UHFFFAOYSA-N 406.482 5.513 0 40 HKAB CC(C)COc1cccc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 4543558 JPXOKBITQCBXBD-UHFFFAOYSA-N 405.338 6.011 0 40 HKAB Cc1ccc(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c(O)c1 5542532 LLAQUNMSWCFFFX-UHFFFAOYSA-N 401.487 5.998 0 40 HKAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O 6024965 RFVNLNAHTHQZNW-FQEVSTJZSA-N 417.553 5.536 0 40 HKAB CCOc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccncc2)cc1 6106918 ZDJGQDTXEMVABE-UHFFFAOYSA-N 402.523 5.329 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 6434792 FADYHGONRWQJMR-UHFFFAOYSA-N 408.272 6.523 0 40 HKAB Cc1ccccc1COc1cc(O)c2c(c1)/C=C/CCCC(=O)CCC[C@H](C)OC2=O 6733663 STMATFBGYDIEGY-RRPUDGLYSA-N 422.521 5.761 0 40 HKAB Cc1ccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)c(C)c1 6747988 KQQSEDMQNWQQMJ-UHFFFAOYSA-N 401.894 5.431 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)[C@@H]2CCCc3ccccc32)o1 7583098 RJPFLASGSBDRLI-HXUWFJFHSA-N 400.482 5.209 0 40 HKAB Cc1ccc(CNC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1 7670957 RUPYFWABIJZKEU-UHFFFAOYSA-N 400.478 5.262 0 40 HKAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O 7928099 FEBQJUSGBDODCW-QGZVFWFLSA-N 420.896 5.432 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1 8132033 AXFWMMUUAPEDEE-UHFFFAOYSA-N 423.520 5.177 0 40 HKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc(C2CC2)nn1-c1ccccc1 8345391 DMLUONFKJPGPIH-UHFFFAOYSA-N 401.466 5.044 0 40 HKAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(Cl)cc4)c3)nc2c1 8590917 KRPPTGATVABOBZ-KPKJPENVSA-N 402.881 6.417 0 40 HKAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc(Cl)c2)cc1 8612032 FTFJHFHGHQUQIK-UHFFFAOYSA-N 402.881 5.337 0 40 HKAB Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3ccco3)cc2s1 8673863 OWXSFACNCLLUKO-UHFFFAOYSA-N 423.519 5.181 0 40 HKAB COc1cc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)ccc1O 8685595 OPOUVDRIHWIEOD-UHFFFAOYSA-N 416.527 6.209 0 40 HKAB aggregator C[C@H]1CC(=O)c2c(OCC(=O)Nc3ccccc3Oc3ccccc3)ccc(F)c21 9614251 IPQHPXLCMCZHCJ-HNNXBMFYSA-N 405.425 5.325 0 40 HKAB COc1cc2ncc3c(-c4ccc(F)cc4)nn(-c4cccc(F)c4)c3c2cc1OC 9675958 JGGCFAOFFAZFBC-UHFFFAOYSA-N 417.415 5.536 0 40 HKAB COc1ccc(CNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cc1OC 12787706 OTVQHSICHFZWOS-UHFFFAOYSA-N 420.490 5.017 0 40 HKAB C[C@H]1CCc2c(sc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)c2C(N)=O)C1 12857238 CAHUSXPBLMHGKJ-ZDUSSCGKSA-N 416.974 5.076 0 40 HKAB COc1ccc(NC(=O)[C@@H](C)SCc2ccc(Cl)c(Cl)c2)cc1OC 13012328 JGHKYIYURWADSF-LLVKDONJSA-N 400.327 5.271 0 40 HKAB CCCn1c(-c2ccc(Cl)cc2)nn(CN(C)Cc2ccc(OC)cc2)c1=S 13072635 PAQWOKSVOOUNRA-UHFFFAOYSA-N 416.978 5.243 0 40 HKAB C1=C(c2ccccc2)N2N=C(c3ccccc3)O[C@]23CCCC[C@H]3[C@@H]1c1ccccc1 13509579 ZJXHXEHIKDXOSE-VBOOUTDYSA-N 406.529 6.405 0 40 HKAB O=C1c2ccccc2CC[C@@H]1Sc1nnc(-c2cccs2)c(-c2cccs2)n1 13566464 VDDYCBFADMEXGA-KRWDZBQOSA-N 421.572 5.618 0 40 HKAB COCc1cc(C)nc2sc(-c3nc(Cc4ccccc4)no3)c(-n3cccc3)c12 15107971 HRNITWCBNQIUCK-UHFFFAOYSA-N 416.506 5.183 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Cl 17092527 BOTPPMGBJVQQEX-UHFFFAOYSA-N 420.925 5.319 0 40 HKAB COc1cccc2sc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)nc12 19295705 LFCQXUOEOIMTEA-UHFFFAOYSA-N 415.927 5.263 0 40 HKAB Cc1ccc([C@H](NC(=O)/C(=C/c2ccccc2)c2ccccc2)c2ccccc2)cc1 20455472 JPVUMGNGOCMMRO-SQDLFYSFSA-N 403.525 6.441 0 40 HKAB CC(=O)c1nc(N(C(=O)Nc2ccc(Cl)cc2)C2=NCCCCC2)sc1C 22757411 NIFIVGFNJWAPCF-UHFFFAOYSA-N 404.923 5.319 0 40 HKAB CC1(C)CC[C@@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@]43C)[C@@H]2C1 25549432 LIIFBMGUDSHTOU-IGGZLDOOSA-N 424.713 8.377 0 40 HKAB O=C(c1csc(-c2ccsc2)n1)N1CCc2sccc2[C@@H]1c1ccccc1 25900012 SEAUXJFAAVEDEZ-IBGZPJMESA-N 408.573 5.721 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@]2(O)C(F)(F)F)cc1 27534243 HGLSORNJIZZLJS-HXUWFJFHSA-N 424.850 5.139 0 40 HKAB Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O 27792692 SWMSFVRYIREHDY-IBGZPJMESA-N 415.924 5.567 0 40 HKAB COc1ccc2nc(Cl)c([C@H]3Nc4ccccc4C(=O)N3c3ccccc3)cc2c1 30836444 REYIHOCLPPCABV-QHCPKHFHSA-N 415.880 5.668 0 40 HKAB Cc1nc(NC(=O)c2ccccc2Cl)sc1-c1nc(-c2ccc(F)cc2)no1 31817030 MSBDDJMCISTWDN-UHFFFAOYSA-N 414.849 5.213 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ncccc1OCc1ccccc1 33688946 FQBHBYKFSZFTCK-UHFFFAOYSA-N 419.868 5.530 0 40 HKAB CC(=O)c1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)cc1 35040579 HOGNNEGMXISNJB-CXUHLZMHSA-N 408.331 5.602 0 40 HKAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 40056874 JHUNDWLIUTWJIU-OAHLLOKOSA-N 408.885 5.893 0 40 HKAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 40061890 ISHKMTHVAYFCHR-RBUKOAKNSA-N 401.535 5.186 0 40 HKAB Cc1nc(COc2cccc(C(=O)Nc3cccc(-c4nc(C)c(C)o4)c3)c2)cs1 40155044 SUKHCHVMFWHUPD-UHFFFAOYSA-N 419.506 5.555 0 40 HKAB C[C@@]12CC3CC(NC(=O)c4cccc5c(Br)cccc45)(C1)C[C@](C)(C3)C2 41107617 HVQSPRHGCQIRRL-TURSSXEVSA-N 412.371 6.081 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1 44934919 QFIWUUZNNDOWIX-QGZVFWFLSA-N 419.396 5.700 0 40 HKAB Cc1cccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3)=NC23CCCCCC3)c1 45933168 RVXNTGOHOICGEM-UHFFFAOYSA-N 410.970 5.971 0 40 HKAB CC(C)[C@H](N[C@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc(C2CCCCC2)cc1 49590268 OGZOQJPESBARSQ-KOSHJBKYSA-N 403.570 6.019 0 40 HKAB Cc1c(Cl)cccc1NC(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 58325480 KMYOVPZHQOIQHM-OAQYLSRUSA-N 404.901 5.446 0 40 HKAB CCCC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)cc3)CC2)CC1 59796833 LQRASBADJFXRBP-UHFFFAOYSA-N 414.555 8.651 0 40 HKAB COc1ccccc1CNC(=O)c1scc(-c2ccc(C)cc2)c1-n1cccc1 64472607 ZXSCGZZEGJFVSC-UHFFFAOYSA-N 402.519 5.453 0 40 HKAB Cc1ccc(-c2cc3c4nnc(SCc5cccc(F)c5)n4ccn3n2)cc1C 67260635 BUGLQNLDCFNSBG-UHFFFAOYSA-N 403.486 5.092 0 40 HKAB CN1C(=O)c2cc(NC(=O)c3c(Cl)cccc3Cl)ccc2Oc2ncccc21 95480424 LHXXJNJNUPEVCZ-UHFFFAOYSA-N 414.248 5.023 0 40 HKAB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc(C)cc4)C3=C(O)C2)cc1 100426248 JDYBZCXXQZNQCG-CCLHPLFOSA-N 410.517 6.633 0 40 HKAB Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@H](C)CC[C@H]4C(C)C)cc3C2=O)cc1 102066585 CSOLZNRRMSQPLG-DHJUGAMNSA-N 419.521 5.413 0 40 HKAB biogenic Cc1ccc(NCc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl 106971816 YUWNEVRCBRISLZ-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB COc1ccccc1NC(=O)c1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 107698820 ZMXAMZBXAMIJNG-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB CCCCCCCCCCCCCC[C@@H](CCCCCCCCCCCC)C(=O)O 112989043 WTACYDSQHWXANE-HHHXNRCGSA-N 424.754 10.089 0 40 HKAB CC(C)c1ccc(CCCNC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219475242 UQLVOQCGAKRAMH-UHFFFAOYSA-N 414.549 5.453 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1cccc(C)c1 224111421 YWYZIFZXYJPVNF-UHFFFAOYSA-N 415.411 5.854 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(C)cc2)cc1 224409831 NCUOMAJROINZNK-CEZZIEKDSA-N 404.535 5.013 0 40 HKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 224411263 JFWYAPYUQBPMIV-XZOQPEGZSA-N 415.493 5.658 0 40 HKAB CCOCc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCC 224696724 YJZIWNSLTPUHIH-UHFFFAOYSA-N 405.494 5.453 0 40 HKAB O=C(Nc1ccc2c3c(cccc13)CC2)/C(=C/c1cccs1)NC(=O)c1ccccc1 225202739 LVEQAMQHPDJYDJ-KQWNVCNZSA-N 424.525 5.410 0 40 HKAB CCOc1ccccc1NC(=S)NCCSCc1ccc(Cl)cc1Cl 225340497 WSZWLGIJVQJOKH-UHFFFAOYSA-N 415.411 5.612 0 40 HKAB Cc1ccccc1CSCCNC(=S)Nc1ccc(Br)cc1F 225361722 UWNGZMOTZVVIFF-UHFFFAOYSA-N 413.381 5.116 0 40 HKAB CCn1c(SCc2ccc(F)cc2Cl)nc2c(-c3ccccc3)c[nH]c2c1=O 225545718 PSNNJTLNBSGJJC-UHFFFAOYSA-N 413.905 5.496 0 40 HKAB CCOc1ccccc1-c1nnc(SCc2ccc(Cl)cc2Cl)n1CC 408528276 VKQKQTBXTRWSTB-UHFFFAOYSA-N 408.354 5.963 0 40 HKAB Fc1cccc(Cl)c1COc1ccc(Cl)cc1C(=S)NC[C@H]1CCCO1 408573302 JTDKNSKDFQFWEP-CYBMUJFWSA-N 414.329 5.156 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408641642 KUBTVDWVXUXFGY-JTQLQIEISA-N 417.214 5.004 0 40 HKAB Oc1nc(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2sc3c(c12)CCCC3 408735908 ZJBOOCZRNKFODR-UHFFFAOYSA-N 417.317 6.510 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3nc(SCc4cccc(F)c4)sc3c2)cc1 408748431 AGACYWJHBLJVAV-UHFFFAOYSA-N 408.523 6.288 0 40 HKAB O=C1OC(c2ccccc2F)=N/C1=C/c1cccc(OCc2cccc3ccccc23)c1 409179513 PNIFCEWHGCWMOL-PCLIKHOPSA-N 423.443 5.902 0 40 HKAB CC1=CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccc5ccccc5c4)cc3cc21 575473004 SMORABHJUXGJCO-UHFFFAOYSA-N 409.485 5.809 0 40 HKAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 585091762 JYMCEXWTXRFBMJ-GOTSBHOMSA-N 419.908 5.371 0 40 HKAB Cc1ccc2c(c1)Cc1cccc(c1)CN(Cc1cc(F)cc(F)c1)CCCCCO2 643579954 NJFTVVLLMRHCMC-UHFFFAOYSA-N 421.531 6.429 0 40 HKAB Brc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1[C@@H](c1cccs1)O2 1454283 WSHXDXKCIIUSOX-KBXCAEBGSA-N 401.285 5.346 0 40 HKAB CC(C)Oc1ccc([C@@H](CCN[C@H](C)c2ccc(Cl)cc2)c2ccccc2)cc1 1818142 FSUDPOHGCXEWQQ-IBVKSMDESA-N 407.985 7.000 0 40 HKAB biogenic CCCC[C@](CCC(=O)O)(C(=O)OCC)c1cnc(Nc2ccc(C)cc2)s1 1869274 DBHXNQALKYQSGU-OAQYLSRUSA-N 404.532 5.051 0 40 HKAB Cc1c(Cc2ccccc2)c(=O)oc2cc3occ(-c4ccc5c(c4)OCO5)c3cc12 2110102 RLECXMOOWIMQDE-UHFFFAOYSA-N 410.425 5.834 0 40 HKAB biogenic COc1ccc(-c2c(C)oc3cc(OCc4ccc(F)cc4Cl)ccc3c2=O)cc1 2410836 SIAUVOZDUGIRDL-UHFFFAOYSA-N 424.855 6.149 0 40 HKAB biogenic O=C(COc1ccc(Cl)cc1)Nc1c(C(=O)c2ccccc2)oc2ccccc12 3655384 ULNVEGZMYAXOQG-UHFFFAOYSA-N 405.837 5.335 0 40 HKAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(Oc2ccccc2)c1 4135323 KWJXZKIBICJURU-UHFFFAOYSA-N 401.418 5.654 0 40 HKAB O=C(CSc1nc2cc(Cl)ccc2c2c1CCCC2)c1ccc(Cl)cc1 4858571 WNVOATKVSLUYGP-UHFFFAOYSA-N 402.346 6.395 0 40 HKAB Cc1ccc([C@]2(CCN[C@@H](C)c3ccc(Cl)cc3)CCO[C@@H](C(C)C)C2)cc1 5024827 VJRNJFGPKMJBSQ-BUUDZMLXSA-N 400.006 6.462 0 40 HKAB CCOc1ccc(-c2nnc3c4ccccc4n(Cc4cccc(OC)c4)cc2-3)cc1 5028630 ZXYOQDPTGUTPFH-UHFFFAOYSA-N 409.489 5.659 0 40 HKAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(-c4ccccc4)cc3)c12 5543879 YDNPDCRIURLVQV-UHFFFAOYSA-N 412.485 5.983 0 40 HKAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(C2SCCS2)cc1 5938562 SYSCXZYPFAJAHW-UHFFFAOYSA-N 404.645 5.084 0 40 HKAB O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)Nc1ccc2ccccc2c1 6423399 WQCYVDDGMXOJCZ-UHFFFAOYSA-N 410.517 6.196 0 40 HKAB c1ccc(Cn2c(SCc3csc(-c4ccccc4)n3)nnc2C2CC2)cc1 6531924 ROCUEBXYJJVTHZ-UHFFFAOYSA-N 404.564 5.620 0 40 HKAB O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 6549506 IULAVWGMCMVQOX-GOSISDBHSA-N 414.452 5.810 0 40 HKAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccccc1OCc1ccc(F)cc1 6587439 HACHNOCKKOIXRR-UHFFFAOYSA-N 405.454 5.176 0 40 HKAB Cc1ccc(C)c(Nc2nc3cc(Cl)c(Cl)cc3nc2-n2nc(C)cc2C)c1 6786366 WCFZRDQUMNJFEQ-UHFFFAOYSA-N 412.324 6.100 0 40 HKAB Cc1ccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 6845316 HWQGGHZUJSAQAC-UHFFFAOYSA-N 406.334 5.697 0 40 HKAB O=C(O)c1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@H]2C=CC[C@@H]21 7096097 PRSUSOZVJJAIGF-ZYLNGJIFSA-N 413.542 6.504 0 40 HKAB O=C(CSc1nc2ccccc2o1)N1CCc2sccc2[C@H]1c1cccs1 7947811 QAGZBYOGOQTSTH-IBGZPJMESA-N 412.561 5.217 0 40 HKAB Cc1c(C(=O)CSc2nnc(NCc3ccco3)s2)sc2ccccc12 8251807 DYFASLJJNQVXSP-UHFFFAOYSA-N 401.538 5.241 0 40 HKAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(-c2nc3ccccc3s2)s1 8954734 BLTXLYRULGXBPQ-UHFFFAOYSA-N 420.544 5.796 0 40 HKAB C[C@@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(C(C)(C)C)cc1 9062648 VDHLIRCZRAPUMV-GOSISDBHSA-N 413.005 5.727 0 40 HKAB c1ccc(C(c2ccccc2)c2nnc(SCc3cccc4ccccc34)o2)cc1 9199860 QPOLQCWGRKTOBU-UHFFFAOYSA-N 408.526 6.695 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)c1 9355995 CUCKSOWHPUVJPU-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3cccc(Br)c3)cc2)cs1 12596872 IAEMJQLRBADXFV-LBPRGKRZSA-N 416.344 5.320 0 40 HKAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1cc(C2CC2)nn1-c1ccccc1 12599146 WBMXMXNJEBPUAX-UHFFFAOYSA-N 414.553 5.012 0 40 HKAB Cc1ccc2c(CC(=O)Nc3ccnn3Cc3ccc(C(F)(F)F)cc3)coc2c1 12742689 UVDUNZSOZSCHHE-UHFFFAOYSA-N 413.399 5.186 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 13542555 DASOUCLGLBPXLC-HMYOJTDCSA-N 414.718 8.025 0 40 HKAB biogenic O=C(NCCSCc1ccccc1Cl)c1ccccc1CCc1ccccc1 13688250 SUTGMWLFXKGIJZ-UHFFFAOYSA-N 409.982 5.788 0 40 HKAB O=C(CCc1c[nH]c2ccccc12)N(Cc1cccs1)c1ccc2c(c1)OCCO2 14238959 SVLCMXBZMNPRDJ-UHFFFAOYSA-N 418.518 5.167 0 40 HKAB CCSc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 15880249 ATNMXAOLLKYHNZ-UHFFFAOYSA-N 409.580 5.066 0 40 HKAB Oc1nc(Nc2ccc(Nc3ccccc3)cc2)nnc1Cc1ccc(Cl)cc1 16806888 VCOVYUDMDJGFMP-UHFFFAOYSA-N 403.873 5.309 0 40 HKAB CCCCOc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 19074405 VJGCCPXUPXMMKI-UHFFFAOYSA-N 405.338 6.155 0 40 HKAB COc1ccc(SCC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1OC 22530613 KQBVNMLOISTFGA-DEOSSOPVSA-N 407.535 5.010 0 40 HKAB CCCOc1ccc(C(=O)N(C)[C@H](c2ccc(C)cc2)c2c[nH]c3ccccc23)cc1 27795422 NKHQFBXHUWNJST-AREMUKBSSA-N 412.533 6.127 0 40 HKAB Oc1[nH]c(=S)nc2c1[C@@H](c1cccc(C(F)(F)F)c1)C=C(c1ccccc1)N2 28466207 LTUGFOXRPWAMRL-CQSZACIVSA-N 401.413 5.462 0 40 HKAB Cc1cccc(C)c1NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 32117661 XKFUOJSJMJRXRU-UHFFFAOYSA-N 404.560 6.458 0 40 HKAB COc1ccc(-c2cc(CSCCCC(=O)Nc3c(C)cccc3C)on2)cc1 32765378 RKARIWQFMQXJBQ-UHFFFAOYSA-N 410.539 5.619 0 40 HKAB COc1ccc(NC(=O)c2sc(N3CCCCC3)nc2-c2ccc(C)cc2)cc1 36293497 MHDVNBXVSHMGIS-UHFFFAOYSA-N 407.539 5.370 0 40 HKAB Cn1ncc(C(=O)Nc2cccc3ccccc23)c1C(=O)Nc1cccc2ccccc12 36617937 JMECQCSVRYHGCH-UHFFFAOYSA-N 420.472 5.231 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(OC(F)F)c2C)c(Br)c1 58305164 PNFRRPCQFGKEPN-GFCCVEGCSA-N 414.246 5.073 0 40 HKAB CCCOc1ccc(-c2noc(Cc3nc(-c4cccc(Cl)c4)cs3)n2)cc1 64677637 DFNPIPJXIIJJFD-UHFFFAOYSA-N 411.914 5.893 0 40 HKAB CC(C)(C)OC(=O)Nc1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72214409 YSRBAHYWADYIOH-LJQANCHMSA-N 411.502 5.292 0 40 HKAB CCCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215767 KYZQOFNHZDVXNK-QFIPXVFZSA-N 415.622 6.483 0 40 HKAB O=C(N[C@@H](SCc1ccccc1)C(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 82087328 XPMTWYCNIGXYNN-QFIPXVFZSA-N 413.901 5.351 0 40 HKAB C[C@@H]1CC2=NC(Nc3nc4ccccc4o3)=N[C@@H](c3cc(F)cc(F)c3)C2=C(O)C1 102664278 LZJXPHSQOZHITC-GIPWTMENSA-N 408.408 5.312 0 40 HKAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 103360660 BREYTMYVXXEAFI-IHRRRGAJSA-N 406.404 5.316 0 40 HKAB CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 118927879 IHNZLUIZUNADFX-COGSQQQQSA-N 414.674 7.102 0 40 HKAB Cc1ccc([C@H](NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)c(C)c1 222778341 CTLBLOYRRNRTEB-WXVAWEFUSA-N 415.577 6.408 0 40 HKAB O=C(COc1ccc2ccccc2c1)NCCSCc1ccc(Cl)c(Cl)c1 222832366 DIVWZFCDVIZYNR-UHFFFAOYSA-N 420.361 5.575 0 40 HKAB CCC1(CC)C[C@H](NC(=O)CSCc2cccc(Cl)c2)c2ccccc2O1 222847356 STTBYAJWURDLSS-IBGZPJMESA-N 403.975 5.772 0 40 HKAB S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ncc(Cl)nc1Cl 223915573 JKNJNCBBUUPQGU-UHFFFAOYSA-N 413.717 5.183 0 40 HKAB CC1CCN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCC3)cn2)CC1 223973600 IYJUBRWMMVULBU-UHFFFAOYSA-N 408.615 5.116 0 40 HKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 224957797 KSFYRYOMYULRNL-MRXNPFEDSA-N 419.959 5.280 0 40 HKAB CCOc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C 225530118 FETHGRASICJIEJ-UHFFFAOYSA-N 406.353 6.459 0 40 HKAB COc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cc1Cl 225853853 RPDBBUREZCOWIU-UHFFFAOYSA-N 423.409 6.234 0 40 HKAB CC(C)Cc1ccc([C@@H]2C[C@H]3[C@H](O[C@H]2C)c2cc(CC(=O)O)ccc2OC3(C)C)cc1 257240041 HRUFNEYGTQQKOV-YCUBBRRCSA-N 422.565 5.933 0 40 HKAB COc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1 408608055 MKDNOIZBEUJSOT-UHFFFAOYSA-N 414.864 5.117 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(F)cc3)n2)cc1 408699072 RIAMLQPYOIWWKL-UHFFFAOYSA-N 404.420 5.027 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3nc(SCc4cccc(C)c4)sc3c2)cc1 408751174 XJUCIABKSLPUHF-UHFFFAOYSA-N 404.560 6.458 0 40 HKAB Cc1sc2nc(-c3ccc(Sc4nc5ccccc5s4)o3)nc(O)c2c1C 408989878 JFGIHVWPUHFWAA-UHFFFAOYSA-N 411.533 6.035 0 40 HKAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 409110797 GTUOMEMPDYFBMF-QZTJIDSGSA-N 404.535 5.297 0 40 HKAB CCOc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 409115060 IEQMIEIKULATDB-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB CCOc1ccc(NCc2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 409117534 OIFCGKRZGTXCIE-UHFFFAOYSA-N 417.936 7.083 0 40 HKAB Cc1ccccc1-n1cccc1/C=C1/SC(=O)N(CCCc2ccccc2)C1=O 409125669 JTXWFBXMPCLVIP-OQKWZONESA-N 402.519 5.455 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc12 409200836 KBNLULATVSQROE-UDWIEESQSA-N 409.894 6.133 0 40 HKAB O=C1N/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 409248472 KOGJCPJZCCAAFU-DEDYPNTBSA-N 422.843 5.155 0 40 HKAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NCCC1=CCCCC1 511711847 DRXNJCBJNYPRMM-UHFFFAOYSA-N 402.947 5.583 0 40 HKAB CCOc1ccc(C(=O)Nc2nnc(SCc3cccc4ccccc34)s2)cc1 702327 VKTZTDMCFULLSL-UHFFFAOYSA-N 421.547 5.635 0 40 HKAB Cc1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCC4)cc1C 1250369 VLYNWGDCTYDCHC-UHFFFAOYSA-N 419.575 5.965 0 40 HKAB CCCCCOC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 1770231 SDSHFJLUMOZHQY-UHFFFAOYSA-N 400.858 5.226 0 40 HKAB CSc1nc(N2CCCCC2)c2sc3nc(C)c4c(c3c2n1)CC(C)(C)OC4 2253525 RAORIXUOUZEAPO-UHFFFAOYSA-N 414.600 5.111 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccc1Cl 2452148 KSDQTVLSLCSBAM-UHFFFAOYSA-N 414.962 5.473 0 40 HKAB CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1 2771454 CWCBHOVPXMSJGK-JJIBRWJFSA-N 411.501 5.908 0 40 HKAB CCOc1ccccc1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@H](C)C2 2780017 XOABCYHZSJWXIX-AWEZNQCLSA-N 401.528 5.089 0 40 HKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4C)c3N2)cc1 3012791 WFOLSPRSFQUWTK-RTBURBONSA-N 414.431 5.413 0 40 HKAB C[C@H]1CN=C(N(C(=O)Nc2cccc(C(F)(F)F)c2)c2cccc(Cl)c2)S1 3029171 WXBQCEFUMPLDQO-NSHDSACASA-N 413.852 5.889 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)OCc1cc(Cl)ccc1OC(F)F 3235415 YBGWFFCPTCBUSW-UHFFFAOYSA-N 411.615 5.370 0 40 HKAB O=C(Nc1ccccc1OC(F)F)c1sc2cc(Cl)cc(Cl)c2c1Cl 3247708 FUIWZEODIPEUEB-UHFFFAOYSA-N 422.667 6.715 0 40 HKAB CC(C)(C)c1ccc(C(=O)C[C@H](Sc2ccc(C(F)(F)F)cn2)C(=O)O)cc1 4054235 RVXPGJOMAFOWJB-INIZCTEOSA-N 411.445 5.216 0 40 HKAB CCOc1ccc(CNCC[C@@H](CCC(C)C)[C@@H]2CCOC(C)(C)C2)cc1OC 4084282 NQFRHAWKZVTFKT-FGZHOGPDSA-N 405.623 5.831 0 40 HKAB biogenic O=c1oc2ccccc2c2c1[C@@H](c1ccc(Cl)cc1)c1c(ccc3ccccc13)N2 4173626 XAHOLWGYDPFJPH-QFIPXVFZSA-N 409.872 6.837 0 40 HKAB Cc1cccc2sc(N(CCCN(C)C)C(=O)c3cccc(C(F)(F)F)c3)nc12 4359694 FFHSYHKYTHPELO-UHFFFAOYSA-N 421.488 5.222 0 40 HKAB CCCN(CCC)C(=O)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1 4474839 SHGJTIPPOHGPJR-UHFFFAOYSA-N 412.618 6.056 0 40 HKAB COc1ccc(-n2c(SCc3cc(C)ccc3C)nc3ccccc3c2=O)cc1 4495152 BNURNNNNCYBLGN-UHFFFAOYSA-N 402.519 5.303 0 40 HKAB O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCCC2 4538325 MHJUIIIXJREMHU-UHFFFAOYSA-N 404.535 5.451 0 40 HKAB CCc1ccc(OCC(=O)N2c3ccccc3[C@](C)(c3ccccc3)CC2(C)C)cc1 4681384 IIRIAPQIDZQRLY-NDEPHWFRSA-N 413.561 6.149 0 40 HKAB CCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 4863035 MPVZWOMNSBNBAJ-AHWVRZQESA-N 414.505 5.726 0 40 HKAB Cc1c(NC(=O)c2ccc(C(C)C)cc2)cccc1-c1nc2cc(Cl)ccc2o1 4866722 RELAFPIPOZQQKP-UHFFFAOYSA-N 404.897 6.832 0 40 HKAB Fc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)cc1 5016996 BBTLUSKMKIQYHQ-SFHVURJKSA-N 403.910 5.209 0 40 HKAB CCCc1nc2sc3c(N4CCCC[C@@H]4C)nc(SC)nc3c2c2c1CCC2 5156236 QOPUXMXLJZFGLT-ZDUSSCGKSA-N 412.628 5.781 0 40 HKAB Cc1nn2c(SCC(=O)c3cccs3)cc(C(C)(C)C)nc2c1-c1ccccc1 5556475 HQYLHFQNZHURNT-UHFFFAOYSA-N 421.591 6.039 0 40 HKAB Cc1cc(SCc2ccc(Cl)cc2Cl)n2nc(C)c(-c3ccccc3)c2n1 5556596 QQAOZOQPEDRUPU-UHFFFAOYSA-N 414.361 6.612 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 6356047 VRQNVUGVPMWPPO-NSHDSACASA-N 409.338 6.134 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CN1c1ccc(F)cc1 6752609 IUSPFLWJJBZTTM-ZGBFETHSSA-N 411.480 5.409 0 40 HKAB CCOc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(CC)cc32)cc1 6844124 PXMZEJXMPTZCOA-UHFFFAOYSA-N 403.913 5.735 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4C)C3)cc2)c1 7928020 JXNJGEBWVPSVAY-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(-c2cccc(Cl)c2)o1 8589865 UIMWOGPDVLWRPZ-UHFFFAOYSA-N 415.836 6.056 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)Cn1c(SC(F)F)nc2ccccc21 9156648 NAWPCBPFHCCXHF-UHFFFAOYSA-N 417.525 6.237 0 40 HKAB Nc1c(C(=O)Nc2ccc(Cl)cc2Cl)sc2nc(-c3cccnc3)ccc12 9242809 DCIYKDJECGLQLM-UHFFFAOYSA-N 415.305 5.500 0 40 HKAB Cn1c(NC(=O)c2ccccc2F)c(-c2cccc3ccccc23)c(=O)c2ccccc21 9327902 SJBNJACUONBHKN-UHFFFAOYSA-N 422.459 5.750 0 40 HKAB O=C1c2ccccc2N[C@@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1Cc1ccco1 9740565 LHVURUGJUULQHF-OAQYLSRUSA-N 404.857 5.090 0 40 HKAB CCOc1ccc2nc(N(Cc3ccncc3)C(=O)CCc3ccccc3)sc2c1 10254303 JGFYCJAHBDWHNV-UHFFFAOYSA-N 417.534 5.256 0 40 HKAB CC[C@@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1 12487892 OUCHTJXNEIVYII-OAQYLSRUSA-N 421.880 5.145 0 40 HKAB C[C@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)Nc1c(F)cccc1F 12891235 SPTBGUUXXDYUFM-QMMMGPOBSA-N 413.804 5.156 0 40 HKAB CCC(=O)Nc1ccc(-c2nc(-c3ccc(CC[C@H](C)NC(C)=O)cc3)cs2)cc1 12894638 GYXPPILYBQQKSO-INIZCTEOSA-N 421.566 5.283 0 40 HKAB CC(=O)c1ccc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1 12975030 PUJKSESSVYOHRV-UHFFFAOYSA-N 400.887 5.139 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12980938 GXBKBDOSUXYCHT-KRWDZBQOSA-N 403.526 5.279 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)NC2=O)cc1OCc1ccc(Cl)cc1Cl 13551641 ZPFWXVHPXHAXKP-CAOOACKPSA-N 424.305 5.295 0 40 HKAB CCN(CC)C(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 13717057 LJTBQGXBEYRBQT-UHFFFAOYSA-N 400.522 5.329 0 40 HKAB O=C(COc1ccc(NC(=O)c2ccccc2)cc1)Nc1ccccc1-c1ccccc1 14185184 WGDGPKAOCGGUSA-UHFFFAOYSA-N 422.484 5.623 0 40 HKAB Cc1ccc(C2=NN(C(=O)COc3cccc4c3CCC=C4)[C@H](c3ccco3)C2)cc1 14185470 JYDIVORAOXKLIY-QHCPKHFHSA-N 412.489 5.304 0 40 HKAB CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 14649241 GZRMFGCZYQFGAY-UHFFFAOYSA-N 417.130 6.187 0 40 HKAB Cc1cccc(C)c1NC(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 15880718 MJMOELMMZHFIDX-UHFFFAOYSA-N 414.918 5.239 0 40 HKAB CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1 17090966 QBXOIFZNRIMNLN-UHFFFAOYSA-N 417.292 6.100 0 40 HKAB Cc1cccc(N/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)c1 17723041 MGQFWVBMNRUEQJ-KGENOOAVSA-N 422.406 5.654 0 40 HKAB CC(C)(C)CC(=O)N[C@@H](C[C@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1 19082746 ODYBYPRJPOGVQB-GGAORHGYSA-N 411.565 5.259 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Sc4ccccc4)cc3)sc2c1 20238509 SEZPKXZYGWDQBT-INIZCTEOSA-N 404.560 6.391 0 40 HKAB Cc1cccc(CSc2nnc(NC(=O)c3cc(-c4cccs4)on3)s2)c1 21524202 XKUNDMHMLAFELH-UHFFFAOYSA-N 414.537 5.108 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccccc1OC[C@H]1CCCO1 21843748 QSNFVWDEMBIMDS-GFCCVEGCSA-N 420.943 5.335 0 40 HKAB O=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccc(OCc2cccnc2)cc1 24672464 VRROOWPXCYPBES-UHFFFAOYSA-N 405.454 5.176 0 40 HKAB C[C@H]1CCc2nc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)sc2C1 29064091 XJPQCURQQNNCSH-LBPRGKRZSA-N 401.919 5.148 0 40 HKAB Cc1cccc(OCC(=O)Nc2ccc(-c3nc(-c4ccc(Cl)cc4)no3)cc2)c1 32623605 HMWVVARNULBNKZ-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)c1ccc(-c2ccccc2)cc1 32647769 FFOVHLZMBHPTIK-UHFFFAOYSA-N 405.860 5.643 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c(Br)c1 40943941 FKSHAZPFONZYDL-UHFFFAOYSA-N 417.347 5.019 0 40 HKAB CC(C)(c1ccccc1)c1ccc(OCCC2CCNCC2)c(Br)c1 42770644 LXQCCLVTPPJKJZ-UHFFFAOYSA-N 402.376 5.544 0 40 HKAB COc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2-c2ccccc2)cc1 44086012 TYHVUAFVZCNUIS-UHFFFAOYSA-N 415.518 5.279 0 40 HKAB O=C(Nc1ccccc1Cl)Nc1ccccc1NC(=O)c1ccccc1Cl 44224989 RNBMRZOTZIKGCD-UHFFFAOYSA-N 400.265 5.890 0 40 HKAB CSc1ccccc1CN1CCC(CNC(=O)c2ccccc2C(F)(F)F)CC1 49523419 LPEQFTNCDSACLX-UHFFFAOYSA-N 422.516 5.069 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cccc(Cl)c1Cl 57313431 AVUATYYKAMHNCN-ZRDIBKRKSA-N 417.317 5.780 0 40 HKAB CC(=O)c1oc2ccccc2c1NC(=O)CN[C@@H](C)c1ccc(Cl)c(Cl)c1 57315492 NUMDZEGSAWHFAY-NSHDSACASA-N 405.281 5.232 0 40 HKAB O=C(Nc1ccccc1)c1ccc(CN2CCC[C@@H]2c2nc3ccccc3s2)cc1 58160498 QXWHFCWESFVDSX-JOCHJYFZSA-N 413.546 5.886 0 40 HKAB O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1Cl)C1c3ccccc3C2(Cl)c2ccccc21 59418712 BGDAPEIECKMUJJ-ISQHLFTMSA-N 420.295 5.087 0 40 HKAB COc1ccc([C@@]2(C)CC(C)(C)N(C(=O)CCc3ccccc3)c3ccccc32)cc1 59501077 COJPIAXSHFYGKH-MUUNZHRXSA-N 413.561 6.149 0 40 HKAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)cc1Cl 67296846 YKOPDAUCVZDYSP-RWEWTDSWSA-N 419.868 5.283 0 40 HKAB COc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc23)cc1 72328461 YEURTADAUJDDHS-UHFFFAOYSA-N 409.917 5.135 0 40 HKAB Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1Cl 72332618 GTFQQYYEOOREKG-XLIONFOSSA-N 401.318 6.297 0 40 HKAB O=C(NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)N1CCCSCC1 84587963 MQUXFCOLJMIRGE-GOSISDBHSA-N 413.974 5.102 0 40 HKAB CC1(C)CC2=Nc3ncnn3[C@@H](c3ccc(OCc4ccccc4)cc3)C2=C(O)C1 102667045 QMSNDHYSMMQJHS-QFIPXVFZSA-N 400.482 5.165 0 40 HKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 222896891 YIZXPYHWFAJADE-SFTDATJTSA-N 411.958 5.686 0 40 HKAB CC(C)c1ccccc1OCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1 223782537 ZHPUUGMNHMZISH-UHFFFAOYSA-N 423.940 5.851 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(Cl)cc3)c2)cc1 224162948 XCMFWBIEORLQJC-UHFFFAOYSA-N 423.940 6.523 0 40 HKAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1CSc1ccc(C)cc1 224338963 DORQNYVLTAVCCH-UHFFFAOYSA-N 421.518 5.319 0 40 HKAB Cc1cc(C)c(NC(=O)CCc2ncc(-c3cccc(Br)c3)o2)c(C)c1 224890148 KRVBMMWYMZAISI-UHFFFAOYSA-N 413.315 5.601 0 40 HKAB COc1ccccc1CNC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224964288 XBQWCFLYVCXKHK-UHFFFAOYSA-N 418.880 5.601 0 40 HKAB COCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1Cl 225555607 SOHOMANLVYMINW-UHFFFAOYSA-N 422.352 5.859 0 40 HKAB COC(=O)c1cccc(NC(=S)NCCCSCc2ccc(Cl)cc2)c1C 225609792 IUNQPARTOCHAOS-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1cc(Cl)cc(Cl)c1 225828473 WRLRWHNXIBEPGZ-UHFFFAOYSA-N 412.276 5.768 0 40 HKAB C[C@@H]1O[C@@H]2c3cc(CC(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(Cl)cc1 257241239 HXGVBDKZYCOEIW-UHLGDJFJSA-N 400.902 5.388 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2c(C)cccc2C(C)C)cc1 408547888 OHHMSYLSVIAIRD-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)cc3C)n2)c(C)c1 408694746 MFUBSDPPSPMAGH-UHFFFAOYSA-N 414.484 5.559 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(Cl)cc3)n2)c1 408699553 UTUDGHZAIMHWQW-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1cccc(C(=O)Oc2ccc(/C=C3/N=C(c4cccc(Cl)c4)OC3=O)cc2)c1 408765170 WYLNSFKHDZOFDG-FYJGNVAPSA-N 417.848 5.212 0 40 HKAB CCCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1 409100608 QQBSSYXLBXQFEU-UHFFFAOYSA-N 400.935 5.048 0 40 HKAB O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409144365 OPPVOIOXBNIHGH-HFHBXGEPSA-N 400.566 6.046 0 40 HKAB Cc1ccc(-n2ncc3c(N)c4c(nc32)C[C@H](c2ccc(C(C)C)cc2)CC4=O)cc1C 618256539 JLAJZFBSVHPCAM-FQEVSTJZSA-N 424.548 5.656 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1 646740 NMNNAMUXGRPPHB-UHFFFAOYSA-N 420.484 5.220 0 40 HKAB O[C@H](CNc1ccccc1Cl)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 862362 IHHSWIHPICYDLT-OAHLLOKOSA-N 419.739 6.228 0 40 HKAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccco1)Cc1c(F)cccc1Cl 1330017 QHFJZENIAIZHFP-UHFFFAOYSA-N 411.816 5.021 0 40 HKAB COc1ccc(-c2oc(=O)n(Cc3ccc(C)cc3)c2-c2ccc(OC)cc2)cc1 1426833 ICSHDHLKXQCUCX-UHFFFAOYSA-N 401.462 5.149 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(F)cc4)c3)nc2c1 1852085 CDHQSBIZBNUMNF-AWEZNQCLSA-N 422.887 7.053 0 40 HKAB O=C(c1ccccc1Cl)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 2092184 HVYJBAUDVSYXRK-UHFFFAOYSA-N 405.828 6.802 0 40 HKAB biogenic CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(Cl)cc1)CC2=O)c1ccccc1 2244916 PTJHYSRNQDMGAW-PKOBYXMFSA-N 419.912 5.175 0 40 HKAB Brc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 2284806 IZECETDZVASNRU-UHFFFAOYSA-N 401.267 5.398 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(Cl)c(C)c2)cc1 2334544 XAXQNBQAFDZOMC-UHFFFAOYSA-N 420.896 5.113 0 40 HKAB Fc1ccc(C2=C[C@@H](c3ccccc3OC(F)F)n3c(nc4ccccc43)N2)cc1 2918049 BKHCEDUAGLQRAI-FQEVSTJZSA-N 407.395 5.833 0 40 HKAB CCCCOc1ccc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc1 3074926 IUSHWLFQYIYRFI-UHFFFAOYSA-N 400.566 6.508 0 40 HKAB Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)n(-c2nc3ccccc3s2)n1 3211296 CVZBFTASKBSVGI-UHFFFAOYSA-N 402.401 5.062 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 3341568 OBPPSDROTAMKKK-UHFFFAOYSA-N 424.287 5.004 0 40 HKAB CC1=C[C@H](C)[C@H](C2OCC3(CO2)COC([C@H]2[C@@H](C)C=C(C)C[C@H]2C)OC3)[C@@H](C)C1 4023507 JLEHIYGUDHRGOJ-JGVKSOMYSA-N 404.591 5.195 0 40 HKAB CC(C)OCCCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 4700049 LYVAQWQTGPAFKI-MHZLTWQESA-N 424.544 6.195 0 40 HKAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 4836008 IWILMKPOAUNXGT-UHFFFAOYSA-N 423.622 6.253 0 40 HKAB CCc1ccc2nc(Cl)c(CN(Cc3ccc4c(c3)OCO4)C(=O)C3CC3)cc2c1 4880661 RXNXOCJWASBMSU-UHFFFAOYSA-N 422.912 5.118 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)cc12 4926564 DQFYVQVMIGATCL-VBHSOAQHSA-N 401.963 5.603 0 40 HKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cccnc2)cc1 5093451 TWPYXEFZYWBSRI-IFMALSPDSA-N 410.304 5.939 0 40 HKAB CCN(CC)c1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)c(C)c1 6629908 BBFNHKMSEJUPJI-KPKJPENVSA-N 417.347 5.264 0 40 HKAB O=C(C(=O)N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1 6667703 UXTGMKBCSMPCGX-UHFFFAOYSA-N 416.650 5.974 0 40 HKAB CC(=O)N(c1cccc(C)c1)c1nc(COc2cc(Cl)ccc2Cl)cs1 7039717 HSPZRKJQCOHCEX-UHFFFAOYSA-N 407.322 6.022 0 40 HKAB CCOc1c(Br)cc(Br)cc1CNC(C)(C)CC(C)(C)C 7521609 NAMWICCWKPUOEZ-UHFFFAOYSA-N 421.217 5.915 0 40 HKAB COc1cccc(CS[C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)c1 7717697 PXCVMEUQYLVWRS-QWHCGFSZSA-N 400.569 5.112 0 40 HKAB O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccccc1OCc1ccccc1 8161208 YWZLIALBBMDDFD-QFIPXVFZSA-N 403.478 5.076 0 40 HKAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccccc1SC[C@@H]1CCCO1 8193428 USSFCLHMIJHCDQ-NRFANRHFSA-N 410.583 5.590 0 40 HKAB CC(=O)N[C@H](CC(=O)N(c1ccccc1)c1nc2ccccc2s1)c1ccccc1 8342870 IWHZOGCNQREYRT-OAQYLSRUSA-N 415.518 5.229 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C 8499021 HKJMVJHLKQZCPT-KRWDZBQOSA-N 407.897 5.594 0 40 HKAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CCc3ccccc3)cc21 8959960 QQISFURFXJUMAI-UHFFFAOYSA-N 408.542 5.056 0 40 HKAB Cc1ccc(Nc2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3ccccc23)cc1C 9847412 BLGOHODGBXIDCZ-UHFFFAOYSA-N 422.937 6.081 0 40 HKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1nnc(SCc2ccccc2)s1 12062935 HCBNOYWDHHNSGA-AAEUAGOBSA-N 414.383 5.360 0 40 HKAB O=C(CN(Cc1ccccc1F)C1CC1)Nc1c(Cl)cccc1C(F)(F)F 12768786 JTNLPYONEOVMIA-UHFFFAOYSA-N 400.803 5.101 0 40 HKAB COc1ccccc1[C@@H](CNC(=O)c1ccc(-c2ccccc2Cl)o1)N1CCCC1 12882623 VOYVDQIPUWRVSF-HXUWFJFHSA-N 424.928 5.176 0 40 HKAB COc1ccc(CN(C)C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1F 12904481 JRMHZRZRMVCLIS-UHFFFAOYSA-N 407.363 5.385 0 40 HKAB Fc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1c1ccc(Cl)c(Cl)c1 13424534 POEKOCMKRGWACT-NRFANRHFSA-N 419.714 7.142 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 13687380 GLMCNRFMAMARSD-UHFFFAOYSA-N 403.478 5.475 0 40 HKAB CP(=O)(O[C@@H](c1ccccc1)C(F)(F)F)O[C@H](c1ccccc1)C(F)(F)F 13815932 SAJRACRBCCSRNH-DCIDGTAHSA-N 412.266 6.450 0 40 HKAB Cc1nn2c(NCCC3=CCCCC3)cc(C(C)(C)C)nc2c1-c1ccc(F)cc1 15840001 MYYIODNSPPABMS-UHFFFAOYSA-N 406.549 6.444 0 40 HKAB COc1ccc(-c2c(C)nn3c2N=C(c2ccc(C)cc2)C[C@@H]3c2ccncc2)cc1 16292196 SIULNQTUBSDYNB-XMMPIXPASA-N 408.505 5.684 0 40 HKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)COc1ccccc1 16575978 QNCYZPOMKMSTIJ-UHFFFAOYSA-N 416.477 5.644 0 40 HKAB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cccs2)cc1 19325842 UKZWDSKBTBYSEI-UHFFFAOYSA-N 408.567 5.172 0 40 HKAB CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(Cc4ccncc4)C3)noc2n1 19452105 PNFFCBBEVJRILX-OAHLLOKOSA-N 404.436 5.140 0 40 HKAB C[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 20388426 AWHYQLPXMIHKLX-BGUDKVOASA-N 420.336 5.695 0 40 HKAB Oc1nc(CN2CCc3sccc3[C@@H]2c2cccs2)nc2cc(Cl)ccc12 21902155 QQQUBJHELHBUSB-LJQANCHMSA-N 413.955 5.260 0 40 HKAB C[C@H](CNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 21905867 AFSNHCDHBLMUDE-WZONZLPQSA-N 420.940 5.121 0 40 HKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(Cl)c1Cl 24751179 AJXRNETWSCDWFZ-UHFFFAOYSA-N 424.715 5.749 0 40 HKAB Cc1c(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)oc2ccc(F)cc12 27583271 RILYXVWSJRYFRC-FQEVSTJZSA-N 414.908 5.491 0 40 HKAB CCc1ccc2oc(C(=O)NC[C@@H](c3cccs3)N3CCCCCC3)c(C)c2c1 28404595 BKAMEASIJKXCMK-FQEVSTJZSA-N 410.583 5.712 0 40 HKAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 30943804 VAQCNEQIMOLVCA-QGZVFWFLSA-N 419.396 5.343 0 40 HKAB C[C@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1cccc(C(F)(F)F)c1 31698315 NTIAQVDICRFWIX-LBPRGKRZSA-N 409.433 5.017 0 40 HKAB Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)c1cc(Cl)ccc1Cl 32609839 XZNSQLSCLPLRGZ-UHFFFAOYSA-N 408.260 5.235 0 40 HKAB CN(C)c1ccc(NC(=O)c2cc(Br)ccc2Cl)c(C(F)(F)F)c1 32832455 PAANNKQLRSCYSF-UHFFFAOYSA-N 421.644 5.440 0 40 HKAB COc1cc(-c2nc3cc(C)ccn3c2Nc2ccc(Br)cc2)ccc1O 35615955 BIKMGGBJXZIOGB-UHFFFAOYSA-N 424.298 5.530 0 40 HKAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Oc2ccccc2)cc1 38500776 ASIWRYAOZNUKSS-UHFFFAOYSA-N 417.440 5.455 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 44850384 XZSGDDNZNAGKJR-LJQANCHMSA-N 408.712 6.596 0 40 HKAB COc1cc([C@@H]2SCC(O)=Nc3c2c(C)nn3C)ccc1OCc1ccccc1C 44901571 SHXZMQVMHBDAHA-QFIPXVFZSA-N 423.538 5.049 0 40 HKAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1Cc1ccccc1)C1CC1 72215409 LKLGOPVPOTVMGY-JOCHJYFZSA-N 407.558 5.713 0 40 HKAB CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccccc2)C1=O 106680985 UWASBEDNEMDTMW-KQWNVCNZSA-N 417.530 6.255 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1OCc1ccccc1 218987659 UXBSGPNXOWLMFO-JOCHJYFZSA-N 401.506 5.606 0 40 HKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCCC2)c1C 222960850 TXKIQHZCDCFOLO-XZOQPEGZSA-N 410.631 5.778 0 40 HKAB CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 223948909 PCHHJVOVCNFYIM-UHFFFAOYSA-N 422.550 5.391 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccc2ccccc2c1 224311685 DKHQBNBILVUSKX-UHFFFAOYSA-N 411.501 6.297 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1cccc(CN2CCCCC2)c1 224697461 ZKPKBLMVDUWHJM-HSZRJFAPSA-N 414.977 5.108 0 40 HKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc3c(c2)OCCO3)c1 225404271 QWAZYCCPQAOLQP-UHFFFAOYSA-N 411.841 5.164 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225847743 YLBHMOVXDXRITE-HXOBKFHXSA-N 407.551 5.355 0 40 HKAB O=C(Cc1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br 226303511 IOIUNKVNRSYSDX-UHFFFAOYSA-N 424.382 6.098 0 40 HKAB COc1cccc(CC(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)c1 257200045 ABUHBNOECMHDTO-QFIPXVFZSA-N 424.928 5.224 0 40 HKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(Sc3ccccc3)cc2)S1 260766026 IRJGNJVUWPYAHQ-URZJWIJPSA-N 403.576 5.822 0 40 HKAB S=C(c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)N1CCOCC1 408578855 ZWITWYIYWHPHIG-UHFFFAOYSA-N 416.757 5.234 0 40 HKAB O=C(CSCc1ccccc1Br)Nc1cc(Cl)cc(Cl)c1 408784131 SZUSYNPPDKKSCQ-UHFFFAOYSA-N 405.144 5.628 0 40 HKAB CCCc1sc(NC(=O)c2cccc(F)c2)nc1-c1cc(OC)cc(OC)c1 408836042 PMQYNEMUAIEPDM-UHFFFAOYSA-N 400.475 5.171 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C1\SC(=O)N(CCc2ccccc2)C1=O 409004545 BNGCGMRXULDZRR-YBEGLDIGSA-N 408.306 5.281 0 40 HKAB Fc1cccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)c1 409102723 ZOAWKNHWNVAEPL-UHFFFAOYSA-N 409.917 5.943 0 40 HKAB CCCOc1c(Cl)cc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl 409110211 UIVGEISPMDJASG-UHFFFAOYSA-N 402.321 7.187 0 40 HKAB Cc1cccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@@H](c2ccccc2)N3)c1 409123325 GEWLIQISMJUQIE-GNANYNKOSA-N 408.545 6.544 0 40 HKAB COc1cc(CNc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 409178975 LTDXMNBFJVSTMD-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB O=C1N/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1Cc1ccccc1 409204935 DMFBZIKUKUHGKS-HYARGMPZSA-N 418.880 5.012 0 40 HKAB COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1OCC(C)C 409209538 GHUYFEBFTSZRLL-STZFKDTASA-N 411.523 5.009 0 40 HKAB COc1ccc(C[C@H](C)C(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1 530458490 QAXAMCLTLKRNRC-GAJHUEQPSA-N 421.516 5.157 0 40 HKAB O=C(C1CCCCC1)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643578308 PMODJJCACKWAHK-UHFFFAOYSA-N 408.542 5.736 0 40 HKAB O=C(O)CCc1ccc(Oc2ccc(Oc3ccc(CCC(=O)O)cc3)cc2)cc1 1889148926 KMPYBHGUNHXVPN-UHFFFAOYSA-N 406.434 5.306 0 40 HKAB CCCOc1ccc(S(=O)(=O)Oc2cc(Cl)ccc2Cl)c2ccccc12 1889296365 BDVNSPIEPHYKQP-UHFFFAOYSA-N 411.306 5.703 0 40 HKAB CCOc1ccc2cc([C@H]3CC(c4ccc(C)cc4)=NN3C(C)=O)c(Cl)nc2c1 710140 PJUCDLPDUGTYOY-JOCHJYFZSA-N 407.901 5.293 0 40 HKAB Cc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)ccc1NC(=O)c1ccco1 873282 OACYPQGASDHCPV-UHFFFAOYSA-N 404.397 5.492 0 40 HKAB Fc1ccc(CCNc2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)cc1 1341646 XESWDKINCXCWES-UHFFFAOYSA-N 404.464 5.208 0 40 HKAB Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3o2)c1C 1413982 ZNTCWBSJHLOBNB-UHFFFAOYSA-N 419.481 5.378 0 40 HKAB CN(CCN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O)c1ccccc1 1580483 ZDESVFXSRXBUOA-UHFFFAOYSA-N 418.107 5.033 0 40 HKAB NCC(CCC(CN)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 1673517 OGJRTUOXFBUPIB-UHFFFAOYSA-N 420.600 5.657 0 40 HKAB Cn1c(Cc2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1Cc1ccccc1 1715274 IWSMHEQHUPRYIO-UHFFFAOYSA-N 413.564 7.541 0 40 HKAB CCOc1ccccc1Oc1coc2cc(OCc3ccccc3C)ccc2c1=O 1926102 AQNAXMVAUPALCD-UHFFFAOYSA-N 402.446 5.871 0 40 HKAB biogenic CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)CCC1CCCCC1 2063139 IHYMOJFULZFKLW-UHFFFAOYSA-N 403.638 7.148 0 40 HKAB CCOC(=O)CCc1c(C)c2ccc(OCc3ccccc3Cl)c(C)c2oc1=O 2093206 LWKAVHAEDWFWKN-UHFFFAOYSA-N 414.885 5.138 0 40 HKAB biogenic Cc1ccc(-n2ncc3c2ncn2nc(-c4ccc(C(C)(C)C)cc4)nc32)cc1Cl 2411739 HVYUJMLACWDDOH-UHFFFAOYSA-N 416.916 5.390 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)c3c(-c4ccccc4)noc3C)n2)c1 2659015 QZTIEMAEKKKION-UHFFFAOYSA-N 421.478 5.043 0 40 HKAB COc1ccc(-c2nnc3c4ccccc4n(Cc4ccc(F)cc4)cc2-3)cc1OC 2691939 YWNFTKNPWUMTFR-UHFFFAOYSA-N 413.452 5.408 0 40 HKAB O=c1[nH]c(-c2cc(-c3ccccc3)nc3ccccc23)nc2sc3c(c12)CCCC3 3069827 GEQBWPMTXZZFCS-UHFFFAOYSA-N 409.514 5.746 0 40 HKAB FC(F)(F)c1cc(Cl)c2nnc(SCc3cccc(Br)c3)n2c1 3504312 XAVKVGOPCIWNIR-UHFFFAOYSA-N 422.657 5.456 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccc2ccccc2c1 4015930 MYDDZXCNLUMKFM-HDLCADABSA-N 401.465 5.236 0 40 HKAB O=C(c1cccs1)N(C(=O)c1cccs1)c1cc(C(F)(F)F)ccc1Cl 4195981 SSJJCGKMWDFDSP-UHFFFAOYSA-N 415.845 5.969 0 40 HKAB Cc1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)cc1C 4811347 CYXIZQJAIWKBGA-UHFFFAOYSA-N 418.500 5.932 0 40 HKAB O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@@H](c2ccccc2Cl)N1c1ccccc1 4933910 AQOPCDLFAIPWGT-JOCHJYFZSA-N 403.844 5.619 0 40 HKAB CC(C)CN1C(=S)N=C(N[C@H](COc2ccccc2)C(C)(C)C)C12CCCCC2 5832863 NLIADRBUYAUTJZ-HXUWFJFHSA-N 415.647 5.428 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 6283628 XCIXCMOUNBXOQY-UHFFFAOYSA-N 410.951 6.348 0 40 HKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)n(-c2nc3ccccc3[nH]2)n1 6566881 JBKVQEQNNPXBMA-UHFFFAOYSA-N 419.916 5.161 0 40 HKAB O=C(c1ccccc1SCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 7367066 NMDPKPJNOXMWPC-UHFFFAOYSA-N 406.526 5.080 0 40 HKAB C[C@H](c1ccccc1)n1c([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 7542757 DDUVYYFAVPOMBO-IEBWSBKVSA-N 415.924 5.820 0 40 HKAB CC(C)(c1ccccc1)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 7928953 BSKFUBKHZILBIF-GOSISDBHSA-N 417.480 5.110 0 40 HKAB O=C(NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)[C@@H]1Cc2ccccc2O1 7961921 YMGPOQQBESXWIT-DVECYGJZSA-N 416.908 5.073 0 40 HKAB O=C(COc1ccc(Cl)c2cccnc12)N[C@H](c1ccccc1)c1cccs1 8196493 PPXRVKCTMXIRCY-OAQYLSRUSA-N 408.910 5.234 0 40 HKAB CCN(CC)Cc1nc(Oc2ccc(-c3noc(C)n3)cc2)c2c(C)c(C)sc2n1 8726954 NXTNHNNVXOHAEP-UHFFFAOYSA-N 423.542 5.301 0 40 HKAB O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1-c1ccc(OC(F)(F)F)cc1 8887882 YURITNZJMMXHGQ-UHFFFAOYSA-N 416.786 5.605 0 40 HKAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3ccc(Cl)cc3Cl)n2)cc1 13112221 ODVSNRMFIMNBBF-UHFFFAOYSA-N 420.321 5.257 0 40 HKAB O=C(Nc1ccc(Cl)cn1)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 13961212 YJQCTCJGCIGONB-UHFFFAOYSA-N 422.819 5.407 0 40 HKAB O=C(c1ccc(CSc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 15229254 DESTUGMVKPAJGS-UHFFFAOYSA-N 401.575 6.074 0 40 HKAB CCCCOc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c2cccnc12 15841119 JSLDYLJKUXTYEK-UHFFFAOYSA-N 412.917 5.701 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1 17088577 AIKRVADVIYMACM-WOUAJJJCSA-N 410.539 5.059 0 40 HKAB CCOC(=O)c1c(NC(=O)C2=Cc3ccccc3OC=C2)sc2c1CC[C@@H](CC)C2 19809884 GDFYYJIELBGORL-OAHLLOKOSA-N 423.534 5.368 0 40 HKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20486334 JKFMNZDOUPISGX-HSZRJFAPSA-N 421.924 5.984 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 20491472 MQACNSIEWQLTOA-NLFFAJNJSA-N 408.586 5.444 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c(OC)c1 21578548 WSVLIBXMKWTNTA-UHFFFAOYSA-N 416.477 5.690 0 40 HKAB O=C(Nc1ccc2c(c1)OCCO2)c1scc(-c2ccccc2)c1-n1cccc1 23125670 BNEOPRBWVUTQFS-UHFFFAOYSA-N 402.475 5.229 0 40 HKAB COc1ccc(CN(C(=O)c2oc3cc(C)c(C)cc3c2C)c2ccccn2)cc1 28287312 MGERKFSSKASEFL-UHFFFAOYSA-N 400.478 5.609 0 40 HKAB COc1cc(OC)c(OC)cc1/C=C/C(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl 30317002 LLIMJOLHBOPLCB-PPGNKHEKSA-N 424.324 5.252 0 40 HKAB O=C1/C(=C/c2ccccc2)S[C@]2(C(=O)Nc3ccccc32)N1c1ccc(Cl)cc1 32597820 ZTWUJARVEHKLFP-QFXXMJIKSA-N 418.905 5.266 0 40 HKAB CCCCCCC(C)(C)c1ccc([C@@H]2CCCC(=O)C2)c(OCc2ccccc2)c1 39286414 HDBOFJVLJDSOER-HSZRJFAPSA-N 406.610 7.740 0 40 HKAB in-vitro Cc1ccccc1NC(=O)c1nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn2c1C 40385020 HMUUFNSUVHBLSZ-UHFFFAOYSA-N 419.916 5.437 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)N1CCC(c2nnc(-c3ccco3)s2)CC1 49371868 APMXBRXWAZPCLN-UHFFFAOYSA-N 422.432 5.228 0 40 HKAB COc1ccc(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)cc1 57486335 JBEWJUOTAOLZPD-UHFFFAOYSA-N 418.562 6.175 0 40 HKAB CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1ccco1)Cc1ccccc1Cl 57614076 QNTIILOTWRKPGY-FQEVSTJZSA-N 415.969 5.464 0 40 HKAB Cc1c(C(=O)Nc2ccc(CN3[C@@H](C)CCC[C@H]3C)cc2)n[nH]c1-c1cccs1 57775350 DLNGSMQFSBACTF-IYBDPMFKSA-N 408.571 5.462 0 40 HKAB CC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@H]1c1ccccc1 58196784 PAZLGNKQXBWOQY-VWLOTQADSA-N 405.501 5.908 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)cc(F)c2)cc1 67297657 ASJCIERWFGULTI-VYIQYICTSA-N 406.388 5.204 0 40 HKAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 72357993 JRXBIENBHDNVHD-HSZRJFAPSA-N 408.904 5.371 0 40 HKAB CCn1c(CN2CCC[C@H]2c2cccc(Nc3ncc(C)s3)n2)nc2ccccc21 72375342 SJWVCWSMRZLFOB-IBGZPJMESA-N 418.570 5.297 0 40 HKAB Cc1nc(CNc2cc(F)ccc2OC[C@H]2CCCO2)oc1-c1ccc(Cl)cc1 79103611 GYXYZFBJCMFWHT-GOSISDBHSA-N 416.880 5.612 0 40 HKAB Fc1ccccc1[C@@H]1C=C(c2ccc(Br)cc2)Nc2nc3ccccc3n21 101070069 WLDNLBFNZUPFAG-NRFANRHFSA-N 420.285 5.994 0 40 HKAB Cc1c(Cl)cccc1N/C=C1/C(=O)N(c2cccc(Cl)c2)C(=O)c2ccccc21 102256302 BXWGNNJGTKFVTI-CPNJWEJPSA-N 423.299 5.942 0 40 HKAB CCCCC[C@H](C)N1CC(O)=C(c2nc(-c3ccc(OC)c(OC)c3)cs2)C1=N 102731708 KAYRIRWMJBNMAZ-AWEZNQCLSA-N 415.559 5.358 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2Cl)c1 102764568 WSAXZBBOYVZCQJ-UPVQGACJSA-N 423.343 6.853 0 40 HKAB CCn1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c1C 106732237 JWDACJXFANFVCC-YVLHZVERSA-N 419.344 5.124 0 40 HKAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 197793709 XZZTZVCPQFIBGS-LIKPIUCQSA-N 420.295 5.390 0 40 HKAB Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)C(C)(C)c1cc(Cl)ccc1-2 218250548 PLRWWTIRDQXAIZ-UHFFFAOYSA-N 421.971 8.360 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc2c3c(cccc13)CC2 223444375 SDTCCBAEURREKW-UHFFFAOYSA-N 402.346 6.117 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccccc1OC 224241516 WVELKYDPEMLPRG-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB COc1ccc(-c2nnc(NC(=O)c3cc4c(ccc5ccccc54)o3)s2)cc1 224570094 KLADZGWLFDSXOS-UHFFFAOYSA-N 401.447 5.365 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1CSc1ccc(C)cc1 224661953 QZPKZELTBDESRG-UHFFFAOYSA-N 411.954 6.592 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COCc1ccccc1 224752409 ATDDWOFUTYUVMC-UHFFFAOYSA-N 407.535 5.776 0 40 HKAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1ccc(F)c(Cl)c1 224886428 YYPMTRRKGYHQDA-UHFFFAOYSA-N 423.669 5.468 0 40 HKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)ccc1F 224892903 NKBRBGPPHZONFC-GOTSBHOMSA-N 420.557 5.459 0 40 HKAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(OC(C)C)cc2)cc1OCC 225751632 JQFSEUMDVWVZPJ-MRXNPFEDSA-N 402.560 5.319 0 40 HKAB COC(=O)c1cc(NC(=S)NCCCc2cccc3ccccc23)ccc1Cl 225808947 DXCIKDGXHCDJQW-UHFFFAOYSA-N 412.942 5.199 0 40 HKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1 225844454 HWCLLUGAGZVXHC-UHFFFAOYSA-N 407.551 5.068 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2cccc(Cl)c2)cc1C 408696248 YPKMRBNVVKVGCK-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB O=C(/C=C/c1ccccc1Cl)NCCSCc1ccc(Cl)c(Cl)c1 408907452 OHVXOEYWPFMRBL-SOFGYWHQSA-N 400.758 5.710 0 40 HKAB Cc1cccc(/C=C2\N=C(c3sc4cc(Cl)cc(Cl)c4c3Cl)OC2=O)c1 408969180 ISLJZQNTRRFEHQ-MLPAPPSSSA-N 422.720 6.514 0 40 HKAB Cc1cc(C)cc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1 408972854 WFUVUCPOSRJZOH-UHFFFAOYSA-N 405.325 5.101 0 40 HKAB COc1ccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 409120893 WSLFTBWPQDUMFQ-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCc1ccc(Cl)cc1Cl 409326855 FKAKBRBNMINTQK-UHFFFAOYSA-N 421.353 5.078 0 40 HKAB O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)Nc1cccc2ccccc12 409364007 KQKHAAWXRJAXBJ-XDHOZWIPSA-N 422.893 5.168 0 40 HKAB CC[n+]1c(/C=C/C=C2\C=C(c3ccccc3)c3ccccc3O2)sc2ccccc21 685944527 ULPKOMQWDWSOJO-CVHHLGAXSA-N 408.546 6.630 0 40 HKAB C/C(=C/C=C(/C)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3\C[C](O)C[C@H](O)C3)CCC[C@]12C 1560411617 QLTUVAKGIWXGKU-YZDUKJNXSA-N 413.622 6.168 0 40 HKAB Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3cccs3)ccc12 1084886 FAJCOHUBOBDGOW-UHFFFAOYSA-N 419.453 5.878 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccn2)N2CCCCC2)c1C 1298383 ZCVAGUXAOUETBP-JOCHJYFZSA-N 405.567 5.588 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1Br 1909359 JNYVQLUPPGTDFP-UHFFFAOYSA-N 414.686 5.586 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2ccccc2Cl)sc2c1CCCCCC2 2088718 KVBOIJPHPYPGEV-UHFFFAOYSA-N 421.946 5.255 0 40 HKAB O=C1C[C@@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1 2304549 UOTZMYFNRQBMEM-HSZRJFAPSA-N 422.311 5.633 0 40 HKAB CCc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4)cc2-3)OCCO5)cc1 2691297 LZQJXXLERJZKTC-UHFFFAOYSA-N 421.500 5.585 0 40 HKAB COc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Cl)cc1Cl)C(C)(C)N2 3012026 XQXSUCRHADQNDU-PYCFMQQDSA-N 423.390 6.685 0 40 HKAB Fc1ccccc1Cn1c(-c2cccnc2Cl)nc2cc(Cl)c(Cl)cc21 3134507 KDVRVHDPTOLXQO-UHFFFAOYSA-N 406.675 6.246 0 40 HKAB O=C(CN(c1ccc(F)cc1)c1nc2ccccc2s1)Nc1ccc(F)c(F)c1 3370869 MTKGYNNEWQTYPX-UHFFFAOYSA-N 413.424 5.490 0 40 HKAB O=C1OCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 3483261 GGRCBIVNESOHBQ-OAHLLOKOSA-N 412.342 5.165 0 40 HKAB c1ccc(CCn2c(CSc3nc4ccccc4s3)nc3ccccc32)cc1 3671689 KOHIWFMCWIWUFB-UHFFFAOYSA-N 401.560 6.181 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)OCc2ccc(Cl)c(Cl)c2)c1 4318432 OPZXDJPJALQXDO-UHFFFAOYSA-N 406.265 5.534 0 40 HKAB Cc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1 4480804 VQROXFNXGPBHSE-HMAPJEAMSA-N 403.865 5.572 0 40 HKAB Cc1ccc(C(=O)[C@@H]2CN(C)[C@@H](c3cccs3)[C@H]2C(=O)c2ccc(C)cc2)cc1 4650794 XNDXEIYARWEMSV-PUHATCMVSA-N 403.547 5.350 0 40 HKAB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccccc1Cl 4689200 NQDYQJZPXYIAJY-UYRXBGFRSA-N 405.881 5.810 0 40 HKAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(F)c2)n2c(nc3ccccc32)N1 4767900 NVMPOKWJSZWFIF-JOCHJYFZSA-N 405.473 5.340 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)nc2c1 4776862 ZKQJOYJQEGDJAV-MRXNPFEDSA-N 418.924 6.843 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)c1ccc2c(c1)OCO2 5242774 PXJVCCIFTNIACB-UHFFFAOYSA-N 400.459 5.001 0 40 HKAB CC(C)OC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CC[C@@H](C)C2 5722139 RUPKGGKKVSEEDL-ZJRYTYELSA-N 415.599 5.593 0 40 HKAB Cc1cc2nc(-c3cccc(NC(=O)c4ccc(OCC(C)C)cc4)c3)oc2cc1C 5744378 GZOWFAWCWZXBEJ-UHFFFAOYSA-N 414.505 6.399 0 40 HKAB O=C(CSc1nc(-c2ccccc2)cs1)Nc1cccc(Br)c1 5938142 KQJBFUYZCJVGMZ-UHFFFAOYSA-N 405.342 5.303 0 40 HKAB Cc1cc(C)c(NC(=O)c2cccc(C(=O)Nc3c(C)cc(C)cc3C)n2)c(C)c1 6255234 MATSMKIFQCGZBA-UHFFFAOYSA-N 401.510 5.437 0 40 HKAB Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3cccc4ccccc34)cc2)cc1 6479714 KTZBIQSNJFHODB-UHFFFAOYSA-N 410.469 5.767 0 40 HKAB Cc1ccc(OCCn2c(CCCNC(=O)C3CCCCC3)nc3ccccc32)cc1 6752589 JNJKQEUVPXXFQI-UHFFFAOYSA-N 419.569 5.053 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3Cl)o2)cc1 7161017 QZLMVYZQDBBESI-UHFFFAOYSA-N 401.919 5.418 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)N2CCCc3ccccc32)c(Br)c1 7986355 QUAVVNLNNSANDI-UHFFFAOYSA-N 402.332 5.105 0 40 HKAB Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(OC(F)(F)F)cc2)cc1 9462060 FOHYQYXLUOEKPM-UHFFFAOYSA-N 424.357 5.673 0 40 HKAB CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 9579584 MDEDLDDLFLTVFX-LJQANCHMSA-N 416.506 5.282 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3oc(C(=O)c4ccc(Cl)cc4)c(C)c3c2)cc1 9659872 IKCQMIBRHGQDNB-UHFFFAOYSA-N 403.865 6.186 0 40 HKAB biogenic Cc1c(CNCc2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccccc1Cl 10315585 JCNUZXFHFNGVMB-UHFFFAOYSA-N 418.924 5.670 0 40 HKAB Cc1ccc(OCCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1 11667121 BKGLSQZYLCYNMS-UHFFFAOYSA-N 417.509 5.069 0 40 HKAB COc1ccc(CC(=O)N2CCCCC[C@H]2c2cc(-c3ccc(OC)cc3)on2)cc1 12185503 SJMXUVFUPIPDMS-QHCPKHFHSA-N 420.509 5.045 0 40 HKAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)N(C1CC1)C(c1ccccc1F)=N2 12699627 KIHHBTIBLJYQEZ-RUZDIDTESA-N 422.507 5.966 0 40 HKAB O=C(/C=C/c1ccccc1OC(F)F)N1CCC[C@@H]1c1nc2ccccc2s1 12997228 HLEIHLKUWKUZRN-LPQFERQCSA-N 400.450 5.275 0 40 HKAB O=C(Nc1c(Cl)cccc1Cl)c1ccc(OCc2ccccc2Cl)cc1 13687869 RZHYYNMZUANYJG-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB Cc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2cc(C)ccc2C)cc1 13689137 VNNNGLPRJMRNPN-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB CN(Cc1cccs1)C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 14114613 YRRPXICIQVOTCG-VAWYXSNFSA-N 419.575 5.393 0 40 HKAB CCc1ccc(CN(C)C(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1 14129440 RJANHWYOCJCGPC-UHFFFAOYSA-N 423.969 5.883 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)C)cc2)cc1 14153655 YFYQKSMCTLKCSW-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)c(OC)c1OC 15016730 OYTRLFILHQEVSF-HXOBKFHXSA-N 422.506 5.016 0 40 HKAB COc1cc([C@@H]2CC(O)=Nc3sc(C(=O)Nc4ccccc4)c(C)c32)ccc1O 15106657 MIJFWONSMGDWFS-HNNXBMFYSA-N 408.479 5.147 0 40 HKAB COc1cccc(NC(=O)[C@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)c1 15227776 ANIUQWOUIMIKAE-GOSISDBHSA-N 422.535 5.014 0 40 HKAB Cc1ccc(C(=O)C[C@H](c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)cc1 16291808 SOAAJHLWIRIHKD-RUZDIDTESA-N 402.513 5.270 0 40 HKAB Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(F)c(C)c4)cc3)sc2c1 16780486 YSZUAIKMUUHLLH-UHFFFAOYSA-N 412.511 5.520 0 40 HKAB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(F)cc1 17090963 LOGCGVLYMRTRRS-UHFFFAOYSA-N 417.292 6.662 0 40 HKAB CCCCc1ccc(N/C=C2/C(=O)N(Cc3ccccc3)C(=O)c3ccccc32)cc1 17863180 VOVCRANFXAGYRA-XIEYBQDHSA-N 410.517 5.665 0 40 HKAB Cc1ccc(CN(CCc2ccccc2)C(=O)c2cncc(Br)c2)s1 19296280 QALPEQNVYCILHJ-UHFFFAOYSA-N 415.356 5.099 0 40 HKAB c1ccc2c(-c3nnc([C@H]4CCCN4Cc4ccnc5ccccc45)o3)nccc2c1 19376492 DCQPLEQMEXRANA-JOCHJYFZSA-N 407.477 5.170 0 40 HKAB CCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCN(Cc2cccs2)CC1 19530205 MTQMILRDUSSZTP-UHFFFAOYSA-N 424.566 5.100 0 40 HKAB COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1-c1ccc(CO)o1 20145304 JGLKGSXCMOHTLR-GXDHUFHOSA-N 415.445 5.359 0 40 HKAB CCc1ccc(-c2[nH]nc3nc(-c4cccc(Br)c4)cc(C(=O)O)c23)cc1 20492338 ICLOXKIELCFJTK-UHFFFAOYSA-N 422.282 5.315 0 40 HKAB CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C)o3)N3CCC(C)CC3)c(C)c2c1 21659832 IHWDNVFTLTWDJR-NRFANRHFSA-N 408.542 5.408 0 40 HKAB CC(=O)N1CCc2cc(NC(=O)c3cccnc3Sc3cc(C)ccc3C)ccc21 22508930 KIMMMHBBIHHNGE-UHFFFAOYSA-N 417.534 5.011 0 40 HKAB O=C(COc1ccccc1)Nc1nnc(-c2ccc(-c3cccc(F)c3)cc2)s1 27914077 DUMKZIJLIJUOGR-UHFFFAOYSA-N 405.454 5.029 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)[C@@H](C)[C@@H]1CC3 28814897 IXVNEXDHXGHWLS-PMIIOQGLSA-N 414.718 8.169 0 40 HKAB O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1-c1ncc(-c2ccccc2F)o1 29462361 PZSGFLNYKXDBOS-UHFFFAOYSA-N 416.408 5.171 0 40 HKAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)C1c2ccccc2Oc2ccccc21 31264576 QJOYDRAMMKKQSU-IBGZPJMESA-N 401.462 5.121 0 40 HKAB Cc1cccnc1NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 32089521 RIHMUBHOLMOOIQ-JOCHJYFZSA-N 417.553 5.214 0 40 HKAB Cc1cccc(NC(=O)COc2cccc(-c3noc(-c4ccccc4Cl)n3)c2)c1 33327290 CGVZLFLJLZBVDR-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CCOC(=O)c1sc(N(C(=O)c2ccc(C(C)(C)C)cc2)C2CCCC2)nc1C 36612118 KQDJJEPTJXZRGP-UHFFFAOYSA-N 414.571 5.515 0 40 HKAB Cc1ccn(-c2ccc(NC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)cc2)n1 36612132 LYPJKHNICKTWTM-UHFFFAOYSA-N 417.896 5.665 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)Nc1c2c(nn1-c1ccccc1)CCC2 38510804 PDFQRJDNZRYFKL-UHFFFAOYSA-N 411.958 5.525 0 40 HKAB Oc1nc(/C(Cl)=C/c2ccc(OCc3ccccn3)cc2)nc2cc(Cl)ccc12 40139717 LQPMXKZNVVETPD-ODLFYWEKSA-N 424.287 5.700 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 44900860 NDFNXHLCEMPSSU-UHFFFAOYSA-N 407.535 5.324 0 40 HKAB COc1ccc([C@@H]2SCC(O)=Nc3c2c(C)nn3C)cc1OCc1ccccc1C 49544552 JRYXYLCFPAFAJU-QFIPXVFZSA-N 423.538 5.049 0 40 HKAB Clc1ccccc1-c1nnc(SCc2c[nH]c3ccccc23)n1-c1ccccc1 59472544 VBYNYGGJAVYGPA-UHFFFAOYSA-N 416.937 6.361 0 40 HKAB COC(=O)/C=C/c1cc(Br)ccc1OCc1ccc(C(C)(C)C)cc1 62715266 NUHOBSMEXJZEFW-KPKJPENVSA-N 403.316 5.512 0 40 HKAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1Cc1ccccc1 72215027 HTPCUERSFNMPIM-QFIPXVFZSA-N 409.574 5.960 0 40 HKAB CC(C)N(Cc1cccnc1)C(=O)c1cc(Cl)c2cccc(Br)c2n1 72294391 XULRSMZUXKPCON-UHFFFAOYSA-N 418.722 5.097 0 40 HKAB Cc1nn(C(C)C)c(C)c1NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)c(C)[nH]1 72305878 LIIIQQMJKBCMQE-LJQANCHMSA-N 406.534 5.148 0 40 HKAB Cc1ccc(C)c(-c2nc3c(Br)c(N)c(Br)c(C)c3o2)c1 73639799 GIZMGNZIGKKHNB-UHFFFAOYSA-N 410.109 5.527 0 40 HKAB O=C(Nc1cccc(F)c1)c1cccc(NC(=O)N2CC[C@H]2c2ccc(Cl)cc2)c1 79067849 UQKVFDIKWNJSLC-NRFANRHFSA-N 423.875 5.710 0 40 HKAB C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 89552998 XYHGJWJTGIGEMX-AWEZNQCLSA-N 423.519 5.710 0 40 HKAB O=C1Nc2ccc(Cl)cc2/C1=C\c1cn(Cc2ccccc2)nc1-c1cccnc1 96662861 WNOGGROHOKJWKT-SRZZPIQSSA-N 412.880 5.140 0 40 HKAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3cccs3)o2)CC1)c1cc2cc(F)ccc2[nH]1 100156306 UTELTDHXTRVNSU-OKILXGFUSA-N 424.501 5.122 0 40 HKAB CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)c1ccccc1 107977869 NXJXBYOAMCFJHA-UHFFFAOYSA-N 409.555 5.284 0 40 HKAB CCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@](C)(OC(=O)CC)[C@@]4(C)CC[C@@H]32)C1 118930613 YUKFLTKJFMBYJM-OAKTUVNBSA-N 416.602 5.983 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219350421 DEYHHALLKLWABF-DHIUTWEWSA-N 419.521 5.424 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1C(C)C 223333682 RAGOUOUFAWXJOW-NRFANRHFSA-N 415.577 6.526 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1Cl 224147213 QNUGREFBDVRNSG-UHFFFAOYSA-N 421.924 6.129 0 40 HKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1Cc1ccco1 225009517 DGYPKAKIFRCOBX-XZOQPEGZSA-N 420.582 5.056 0 40 HKAB Cc1nc(-c2cccc(NC(=S)NC(c3ccccc3)c3ccccc3)c2)cs1 225180850 DXMWVHFAGQYVKE-UHFFFAOYSA-N 415.587 6.195 0 40 HKAB C[C@H](NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)c1ccc(F)cc1 225833918 RVQKNKFVPZMWCK-KRWDZBQOSA-N 415.468 5.353 0 40 HKAB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)c2ccccc12 225845266 YDFGITWZJVXJKA-UHFFFAOYSA-N 413.602 6.825 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OC4CSC4)cc3)Cc3ccccc3C2)cc1 225933961 ZFJJKRCDOVWJGT-UHFFFAOYSA-N 415.558 5.165 0 40 HKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cccc(Cl)c2O)C1 257251612 JRLLJXCPGUOCAJ-JQVVWYNYSA-N 405.897 5.308 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CSCC(=O)Nc1ccc(Cl)c(Cl)c1 408605159 XBSZLMFPKQTKDW-UHFFFAOYSA-N 417.745 5.266 0 40 HKAB COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 408627682 OSCDXSPMISGIAN-UHFFFAOYSA-N 422.333 5.398 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccccc2C)cc1 408698632 OXJRPULOGLKAAZ-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(Cl)cc3)n2)cc1 408699075 RIFSJUGUVDCHAY-UHFFFAOYSA-N 416.912 5.711 0 40 HKAB CCOc1ccc2ccccc2c1/C=C1\S[C](Nc2cc(Cl)ccc2C)NC1=O 408813483 QMEQQXQLDKUVBZ-UHFFFAOYSA-N 423.945 5.963 0 40 HKAB Cc1c(F)cccc1NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 409000480 WVYAONXKWSJOFY-DEOSSOPVSA-N 418.512 5.046 0 40 HKAB CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1Cl 409058296 NNEKIPFOSHXNCO-YBEGLDIGSA-N 424.305 5.642 0 40 HKAB CCOc1cc(CNc2ccccc2CC)ccc1OCc1cccc2ccccc12 409110679 FVYOSXBCFSNUCI-UHFFFAOYSA-N 411.545 6.992 0 40 HKAB Cc1ccccc1NCc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 409113778 NVTDAYCBTAXOPH-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 409176803 YEFSPMHNQLWMQZ-UHFFFAOYSA-N 417.914 5.037 0 40 HKAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc4ccccc34)C2=O)c1 409355122 BTVYXVJLSSVVHQ-FYJGNVAPSA-N 416.502 5.132 0 40 HKAB Cc1ccccc1Oc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1 663886 DTQAKNSSTSGLBK-UHFFFAOYSA-N 405.453 5.840 0 40 HKAB CCC[C@H]1CCc2c(sc(NC(=O)c3c(Cl)cccc3Cl)c2C(N)=O)C1 670385 LYPWDLYVBZRSIW-JTQLQIEISA-N 411.354 5.311 0 40 HKAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(Cl)cc1Cl 679739 BSEINWNFAIKEPV-UHFFFAOYSA-N 405.237 5.100 0 40 HKAB Cc1cc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2c2ccccc12 723844 XNYSRQAFJFKAMU-UHFFFAOYSA-N 417.321 5.229 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 892255 JOCBOMIXRBFHNP-UHFFFAOYSA-N 402.881 6.125 0 40 HKAB Cc1ccc2cc(CN(C(=S)Nc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1C 931881 HOERBHCNCQTESH-UHFFFAOYSA-N 419.594 5.677 0 40 HKAB CCN(CC)c1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 1241835 BXWBHRNYYAXNPW-UHFFFAOYSA-N 408.527 5.197 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3Cl)C3CCCC3)cc2c1 1353025 YKBVCKPWOXGHLC-UHFFFAOYSA-N 409.917 5.467 0 40 HKAB Cc1ccccc1NC(=O)COc1ccc(-c2nccc(-c3cccs3)n2)cc1 1383625 LBCAVJSVSFXUBV-UHFFFAOYSA-N 401.491 5.198 0 40 HKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(NCCC4=CCCCC4)ncnc32)c1 1447568 GZHXFYYUIMXQRR-UHFFFAOYSA-N 408.549 6.698 0 40 HKAB Cc1ccc(NC(=O)c2sc3nc4c(c(-c5ccc(C)cc5)c3c2N)CCC4)cc1 1759978 PTMFNOUHIOZBMW-UHFFFAOYSA-N 413.546 5.903 0 40 HKAB O=c1[nH]c(C(Cc2ccccc2)Cc2ccccc2)nc2sc3c(c12)CCCCC3 2117375 KNSHIUWADCEBKV-UHFFFAOYSA-N 414.574 5.823 0 40 HKAB Cc1ccc([C@@H]2CC(=O)c3cnc(Nc4nc(C)c5cccc(C)c5n4)nc3C2)cc1 2216745 DNCPRBICKOZQSI-SFHVURJKSA-N 409.493 5.001 0 40 HKAB Cc1ccc(NC(=O)N(CCO[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)C2CCCCC2)cc1 2289358 OPEXHECXYNEPKO-WIOYSNFSSA-N 412.618 6.393 0 40 HKAB O=C(O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 2530045 GVVBQAUUPFWYCV-HSZRJFAPSA-N 401.462 5.131 0 40 HKAB FC(F)(F)c1cccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c1 2645187 SBZTYMQQPYTZRJ-UHFFFAOYSA-N 416.428 5.293 0 40 HKAB CCOc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 2714295 RRKCMVJJPKYCRA-UHFFFAOYSA-N 420.516 6.538 0 40 HKAB Clc1ccc2nc(-c3ccccc3)n(OCc3ccc(Cl)c(Cl)c3)c2c1 3064067 HLJAMPGGUACYDS-UHFFFAOYSA-N 403.696 6.292 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccccc1F 3108681 LUHHQPFWTHNNJG-UHFFFAOYSA-N 401.224 6.193 0 40 HKAB CCCOc1ccccc1NP(=O)(Oc1ccc(C)cc1)Oc1ccc(C)cc1 3170603 UGPDEKLNIIOJAL-UHFFFAOYSA-N 411.438 6.770 0 40 HKAB Cc1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c(Br)c1 3270493 USPMNKYBUNWZDA-UHFFFAOYSA-N 424.294 5.006 0 40 HKAB C[C@@H](OC(=O)Cc1coc2ccc3ccccc3c12)C(=O)N1CCCc2ccccc21 3305638 ISLHDMJVVFMWKL-QGZVFWFLSA-N 413.473 5.040 0 40 HKAB O=C(/C=C/c1ccccc1)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1 4570865 VUKHDTORADAEFP-IZZDOVSWSA-N 402.441 5.201 0 40 HKAB C[C@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2n1Cc1ccccc1F 4903864 FUWSCLSYVQCUFH-HNNXBMFYSA-N 407.876 5.368 0 40 HKAB CCCOc1ccc(Nc2c(C(=O)OCC)cnc3c(C(F)(F)F)cccc23)cc1 5008928 YNBXARGUGIZTLR-UHFFFAOYSA-N 418.415 5.963 0 40 HKAB Cc1ccc(-n2nc(C)c3c(Cl)c(C(=O)N[C@H](C)c4ccccc4)cnc32)cc1 5314584 NUVZGSMLSKYWOO-OAHLLOKOSA-N 404.901 5.182 0 40 HKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c(C)c1 5478393 WHBFWSBARSRPLX-UHFFFAOYSA-N 422.598 5.436 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccccc1OCc1ccccc1 5508248 QSPUDPJJKMPYSR-UHFFFAOYSA-N 409.869 5.023 0 40 HKAB Cc1ccc(Oc2nc(-c3ccccc3)ncc2S(=O)(=O)c2ccc(C)cc2)cc1 5746167 KHAOKRIOXJZLDS-UHFFFAOYSA-N 416.502 5.386 0 40 HKAB aggregator Sc1nnc(-c2ccc(Br)cc2)n1-c1cccc(Cl)c1Cl 6189046 FXZAAVMAHJTPJE-UHFFFAOYSA-N 401.116 5.292 0 40 HKAB C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccccc1Cl 6531729 IZZVMTKNEYGVOU-MRXNPFEDSA-N 406.942 5.895 0 40 HKAB Cc1nc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1Br 6571273 WZMJTAALYRJTQE-UHFFFAOYSA-N 403.320 5.218 0 40 HKAB CCOC(=O)c1ccc2c(c1)nc(CCCOc1ccc(Cl)cc1Cl)n2CC 6650698 YTYDJGALCWEPIZ-UHFFFAOYSA-N 421.324 5.551 0 40 HKAB CCc1nnc(S/C(=C\c2c(-c3ccccc3)[nH]c3c(C)cc(C)cc23)C(=O)O)o1 7342625 BECMECOLIDADAF-PDGQHHTCSA-N 419.506 5.615 0 40 HKAB CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(CCc3cccs3)c2C)cc1 7466818 XSUVKKAGEGBNBT-UHFFFAOYSA-N 412.580 5.343 0 40 HKAB Cc1cc(CSc2ccccc2C(=O)Nc2ccc(N3CCCCC3)cc2)no1 8193982 ADENOOILOKINJX-UHFFFAOYSA-N 407.539 5.518 0 40 HKAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O 8475492 LCQWXTZSQHRUCW-OAHLLOKOSA-N 418.880 5.539 0 40 HKAB CN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2Oc2ccccc21 9134452 JMWRNURXODLOLF-UHFFFAOYSA-N 412.367 5.340 0 40 HKAB Cc1cc(NC(=O)c2ccccc2Cl)c(C(=O)Oc2ccccc2Cl)cc1C 9226519 JVFZJYPKFOZBFK-UHFFFAOYSA-N 414.288 6.082 0 40 HKAB Cc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2Cl)c1 9427850 SNFVOYZNLXKJTC-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB CCc1cccc2c(C(=O)CSc3nnc(Cc4cccs4)n3C3CC3)c[nH]c12 9464464 SPOGYCAFGVKCOK-UHFFFAOYSA-N 422.579 5.284 0 40 HKAB CCCn1c2ccccc2c2nnc(SCn3c(=S)sc4ccccc43)nc21 9625990 PZQABRWOHMJMCP-UHFFFAOYSA-N 423.592 5.885 0 40 HKAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1c(Cl)cccc1C(F)(F)F 9634754 MECZRXRQOMQUAC-UHFFFAOYSA-N 421.231 5.014 0 40 HKAB O=C(Sc1ncnc2scc(-c3ccccc3)c12)c1c(F)cccc1Cl 9704462 COVSWZOCQCMHKL-UHFFFAOYSA-N 400.887 6.083 0 40 HKAB COc1ccc2sc(N(Cc3ccccn3)C(=O)c3cccc(SC)c3)nc2c1 10187601 GTACFPACEWLYHR-UHFFFAOYSA-N 421.547 5.269 0 40 HKAB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)[C@@H](C)Oc3ccccc3)n2)cc1 11027396 LJSZKWZWCMOCAC-QGZVFWFLSA-N 418.522 5.019 0 40 HKAB CCc1ccc(N[C@H](CC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)cc1 12413401 XPSOMYFPYPAGFC-RUZDIDTESA-N 419.996 7.626 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)CNc2ccc(NC(C)=O)cc2C(F)(F)F)cc1 12640422 FFIIJDAGXYUHJM-CYBMUJFWSA-N 407.436 5.228 0 40 HKAB O=C(Nc1nnc(Cc2ccc(Cl)s2)o1)c1sc2ccccc2c1Cl 13653720 PJENRMQIYVIVPQ-UHFFFAOYSA-N 410.307 5.496 0 40 HKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c(C)c1 14004894 VRXIWYNMHPGSBA-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1cc([C@@H]2CC(=O)Nc3sc4c(c32)CC[C@H](C(C)(C)C)C4)cc(OC)c1O 15107005 BYTFMTNRIZAHAL-ZFWWWQNUSA-N 415.555 5.096 0 40 HKAB COc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)cs2)cc1 15832753 FUJVRKMRJAUAIK-QGZVFWFLSA-N 424.566 5.334 0 40 HKAB CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)NCCCc3ccco3)cc12 16846305 FIIWRRGWKIBMFC-UHFFFAOYSA-N 414.505 5.565 0 40 HKAB CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 16870815 VOIJCKTVJIMBOR-SNVBAGLBSA-N 416.852 5.437 0 40 HKAB COc1ccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc1OC 16960009 NWRJXQZHTFDUNQ-UHFFFAOYSA-N 404.491 5.475 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccc(C(=O)O)c(Cl)c1 20150977 YTNNLOWOPWWCOK-JXMROGBWSA-N 402.233 5.604 0 40 HKAB Cc1ccc([C@@H](NC(=O)CSCc2c(F)cccc2Cl)c2ccccc2)cc1 20460512 CCZADYUSOQLKBA-QHCPKHFHSA-N 413.945 5.927 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)Nc3cccc(-c4nc5ccccc5s4)c3)oc2c1 20897023 BBLNVVYLKRGNHQ-UHFFFAOYSA-N 412.514 6.887 0 40 HKAB COc1ccc(-c2cc3nc(C)cc(Nc4ccc(C)c(Cl)c4)n3n2)cc1OC 21150299 RCKWLGUAYHKGAO-UHFFFAOYSA-N 408.889 5.427 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCCCC2)cc1 27663611 VJOWENYIUQENIL-OAQYLSRUSA-N 410.945 5.660 0 40 HKAB Cc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)CSc1ccccc1 27922685 VPYJNOAAMTUJHX-UHFFFAOYSA-N 401.535 5.432 0 40 HKAB COc1ccc(NC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc23)cc1 32985806 NVKQSIJNONQCGB-UHFFFAOYSA-N 402.425 5.067 0 40 HKAB O=C(COc1ccccc1-c1noc(-c2ccc(F)cc2)n1)Nc1cccc(Cl)c1 33325033 LYEJWMGYGARPOZ-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)N2c3ccccc3Sc3ccccc32)cc1 38755176 HZHMJCPXTXEETE-FQEVSTJZSA-N 418.562 6.795 0 40 HKAB Cc1cccc(Cn2c(SCC(=O)Nc3cccc(F)c3)nc3ccccc32)c1 41076832 GDYZQIXXRYGMMV-UHFFFAOYSA-N 405.498 5.263 0 40 HKAB C[C@@H]1CCCCN1C(=O)Cc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 41127669 AAANGIWSJJCSQK-CYBMUJFWSA-N 403.309 5.745 0 40 HKAB COc1cc(NC(=O)c2ccc(N3CCc4ccccc4C3)cc2)c(OC)cc1Cl 63898534 ZIDHGQZHEPMDMV-UHFFFAOYSA-N 422.912 5.172 0 40 HKAB CCOc1ccc(-n2c(SCc3cccc(Cl)c3)nc3ccccc3c2=O)cc1 67259634 SEPZKCZYFQTZCD-UHFFFAOYSA-N 422.937 5.730 0 40 HKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(C)c(F)c3)oc12 67295766 IKKCATYZCVMRIA-PNHLSOANSA-N 417.440 5.077 0 40 HKAB CC(C)c1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1 95471176 QEOMRCHJRGYWOT-UHFFFAOYSA-N 405.517 5.736 0 40 HKAB O=C(CCc1ccccc1Br)N(Cc1ccoc1)Cc1cccs1 96120655 ADCSVPKCIXDYKX-UHFFFAOYSA-N 404.329 5.265 0 40 HKAB COc1cc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc(Cl)c1O 96767530 XMHJHVMNZFGRCU-OJLMPMFISA-N 409.869 5.424 0 40 HKAB C[C@H]1C[C@]2(C)Oc3ccccc3[C@H]3OC[C@@]1(COC(=O)NC1CCCCC1)[C@@H](C)[C@H]32 100562527 HTEHTVFZNJDZHV-PJZHDKRRSA-N 413.558 5.246 0 40 HKAB COc1cccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(C)cc4)CC(O)=C32)c1 102634041 ZUKDKYNJLZUXDF-NFQMXDRXSA-N 410.517 6.633 0 40 HKAB CC1CCN(Cc2ccc(C(=O)NCCOc3ccccc3C(C)(C)C)cc2)CC1 223709605 NGLRXDWPXPTDFK-UHFFFAOYSA-N 408.586 5.025 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)cc1 224197172 XYWCLDZACZXHSH-RPBOFIJWSA-N 424.573 5.666 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 224219575 GICHSTNSALIDDC-BJKOFHAPSA-N 416.594 5.874 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccccc1CN1CCCCC1 224853569 UCTRVRFCJGIJNN-UHFFFAOYSA-N 405.369 5.228 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccccc2Br)cc1N1[C@@H](C)CCC[C@H]1C 226330052 QSUCHTZQTKEHGA-GASCZTMLSA-N 416.363 5.359 0 40 HKAB COc1ccccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257321657 WCPPKMPBPWOPPV-FQEVSTJZSA-N 410.901 5.295 0 40 HKAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1Cl 408546770 VMACHPZMFLMLMB-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Fc1ccccc1COc1ccc(CNc2ccc(Br)c(Cl)c2)cc1 408558642 SBGFNZNXHHCABZ-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB COc1cccc(C(=S)NCc2ccccc2C)c1OCc1ccccc1Cl 408573769 KJZHSBOIXOLYSZ-UHFFFAOYSA-N 411.954 5.701 0 40 HKAB COc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccncc2)cc1 409105309 MPFOSGUNCQEKMW-UHFFFAOYSA-N 424.529 5.783 0 40 HKAB O=C(O)c1ccc(-n2cccc2/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409216347 HMQVNURWOCALFZ-LDADJPATSA-N 424.865 5.070 0 40 HKAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Oc1ccc(OCc2ccccc2)cc1 648592 LSWDYJOGLINNNS-UHFFFAOYSA-N 418.880 5.632 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccccc1Br 723729 VRIHEYWMEIFRBI-UHFFFAOYSA-N 411.230 5.649 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1Cl 1909338 BVGRKOXJJNOKHV-UHFFFAOYSA-N 414.288 5.550 0 40 HKAB CCCCCSc1nnc2c(n1)O[C@H](c1ccccc1OC)Nc1ccccc1-2 2084916 JRLDKYZJRZPCKY-HXUWFJFHSA-N 408.527 5.333 0 40 HKAB CCn1c2ccccc2c2cc(N3COc4ccc5c(C)c(C)c(=O)oc5c4C3)ccc21 2123317 XZVPGNUPTFVNTA-UHFFFAOYSA-N 424.500 5.894 0 40 HKAB biogenic CCOC(=O)c1nnc(-c2ccc(C)cc2)nc1Oc1ccc(Cl)cc1Cl 3049363 BADMJSRGAJLWDW-UHFFFAOYSA-N 404.253 5.123 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCCOc3cccc(C)c3)cc12 3317074 QSPSXKPBJZUOCF-UHFFFAOYSA-N 416.473 6.043 0 40 HKAB Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCc3csc(-c4ccccc4)n3)n2)n1 3336673 JFCMQRCZXOUNIF-UHFFFAOYSA-N 424.913 5.018 0 40 HKAB CC(=O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 3846397 CEWZSUATUWEZOK-OUIFVKKZSA-N 420.593 6.051 0 40 HKAB biogenic Cc1ccc(CNC(=O)CSc2nc(-c3ccc(C)cc3)nc3ccccc23)cc1 4895109 CGLLOVDVIADIGD-UHFFFAOYSA-N 413.546 5.322 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(OC)c2)cc1 5016990 DJXGCIDACJFQKY-LADGPHEKSA-N 420.896 5.600 0 40 HKAB CCC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@]1(O)c1ccc(F)cc1 5093684 FWIMWRAGFVUMJK-NFUSGRRLSA-N 403.541 6.152 0 40 HKAB CSc1nc2sc3c(c2c2nnc(SCc4ccccc4F)n12)CCCC3 5324585 XMGYSHKRBMYVMH-UHFFFAOYSA-N 416.572 5.371 0 40 HKAB C[C@@H]1C/C(=C/c2cccs2)C2=NN(C(=O)c3ccncc3)[C@@H](c3cccs3)[C@H]2C1 5577788 DBOVRNHDBFCWEW-IPTTZUDUSA-N 419.575 5.887 0 40 HKAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccco2)n1C1CCCCC1 5866614 AXPLPGLFAGWVJZ-UHFFFAOYSA-N 411.527 5.547 0 40 HKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccccc4)cc3n2)cc1 6636002 XNBNDTMEQZSYEN-UHFFFAOYSA-N 404.901 5.669 0 40 HKAB Cc1ccc(NC(=O)CN(C)C(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 6831215 GQTXHNQOHZZKEN-UHFFFAOYSA-N 405.523 5.055 0 40 HKAB COc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCc1c(F)cccc1Cl 6857369 QAYZKCNYSPALAW-UHFFFAOYSA-N 407.957 6.371 0 40 HKAB CCCCSc1nc(-c2ccc(F)cc2)nc2c1Cc1c(CO)cnc(C)c1O2 6858388 KMVIQSALUMRIHH-UHFFFAOYSA-N 411.502 5.067 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1 7080105 SXNWYWDOAFSHQR-KRWDZBQOSA-N 400.478 6.026 0 40 HKAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@H](c2nc3ccccc3s2)C1 8280170 WADCEEHLDKQAND-INIZCTEOSA-N 406.482 5.715 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1 8335549 BRNGHEFCGZESAC-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB Cc1csc(-c2ccc(OCC(=O)N[C@H](c3ccccc3)c3cccs3)cc2)n1 9494052 KQJBXQJMHGJIPT-JOCHJYFZSA-N 420.559 5.465 0 40 HKAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1sccc1-c1ccccc1 9576435 IEBYMQFSZMPPLG-UHFFFAOYSA-N 414.534 5.652 0 40 HKAB Cc1c(Cl)cccc1N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 9683264 GYIBSSVQTPRSFJ-FQEVSTJZSA-N 410.304 6.553 0 40 HKAB CC(C)Cn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccccc1F 9729815 SPIUWFXCWIUSEN-OAHLLOKOSA-N 423.517 5.644 0 40 HKAB COc1ccc2c(-c3ccccc3)cc(S[C@@H](C(N)=O)c3ccccc3)nc2c1 12257619 IWEGOXIBDZPBTE-HSZRJFAPSA-N 400.503 5.229 0 40 HKAB Fc1cccc(Cl)c1CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12 12486897 GDSMXHWYCWNQCX-UHFFFAOYSA-N 415.320 7.035 0 40 HKAB Cc1nc2cc(C(=O)O[C@H](C)C(=O)c3ccc(F)c(F)c3)ccc2n1-c1ccccc1 14092789 CCTCCHSWYFDTHR-CQSZACIVSA-N 420.415 5.040 0 40 HKAB C[C@@H](Nc1cccc(C2SCCS2)c1)C(=O)Nc1ccc(Br)cc1 15500396 NOPWLLDHCQEMKV-GFCCVEGCSA-N 423.401 5.367 0 40 HKAB CCOc1c(Cl)cc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1Cl 16752514 HFKRNNLROPUHQM-UHFFFAOYSA-N 401.293 5.634 0 40 HKAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)sc2c1 17088420 HRIRJSFKHHLJEO-UHFFFAOYSA-N 410.351 5.347 0 40 HKAB CC(C)Oc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c1 17090098 HZKRAKPZNPQXTR-HNNXBMFYSA-N 414.571 5.038 0 40 HKAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cccc2c(Cl)cccc12 17092098 AOZKVGYIFZSEMY-UHFFFAOYSA-N 420.295 6.630 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c1 17092583 UXXQFBHOLAFYPT-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB Cc1ccc(-c2nn(C3CCCC3)c(-c3ccc(C)c(C)c3)c2Br)cc1C 17093509 IYWHGHMZZMMQPQ-UHFFFAOYSA-N 423.398 7.328 0 40 HKAB COc1cc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)ccc1-c1ccc(CO)o1 20142568 NGFJERGOBXKRPW-UHFFFAOYSA-N 422.264 5.015 0 40 HKAB Cc1cccc(CSCC(=O)Nc2nnc(SCc3ccccc3)s2)c1 21247718 HPDNWFQUROBKIV-UHFFFAOYSA-N 401.582 5.011 0 40 HKAB CCc1ccccc1NC(=O)CN(C)C(=O)c1csc(-c2ccc(C(C)C)cc2)n1 24865848 ZAZNJQOWHYNXCA-UHFFFAOYSA-N 421.566 5.207 0 40 HKAB COc1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1Cl 30756409 SNXSMNZJGMCKQM-UHFFFAOYSA-N 406.913 5.554 0 40 HKAB CC[C@H](NC(=O)Cc1nc(-c2ccccc2)oc1C)c1ccc(Br)cc1 32900234 BSEPAUCJWFQHBB-SFHVURJKSA-N 413.315 5.223 0 40 HKAB Cc1ccc(-c2nnc(SCC[S@](=O)c3cc(Cl)ccc3Cl)o2)cc1 40134583 YBSGRCLPOUWFJF-RUZDIDTESA-N 413.351 5.252 0 40 HKAB CCOC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1 44085371 ODNSVFMVKGVMKA-UHFFFAOYSA-N 407.322 5.501 0 40 HKAB CN(C)C(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3Cl)o2)cc1Cl 56436158 PJNJNFGCSWROOI-UHFFFAOYSA-N 403.265 5.208 0 40 HKAB CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(OC)cc4OC)c3)nc2c1 57315927 OBIXPOSWFQJIEQ-UHFFFAOYSA-N 402.450 5.327 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3[C@@H]2C(=O)c2cc(-c3ccccc3)ccc2O)cc1 57339824 MHSNHHLSZYGSRD-AREMUKBSSA-N 419.480 5.952 0 40 HKAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 63957286 KMCXOYNFMFFDDV-UHFFFAOYSA-N 418.950 5.118 0 40 HKAB COc1ccc(NC2=NC(=O)S/C2=C\c2cccc(OCc3ccccn3)c2)cc1 71285285 XBVLKCKZTWZBGC-STZFKDTASA-N 417.490 5.388 0 40 HKAB COc1ccc([C@H](CNc2cc(C(F)(F)F)nc3ccccc23)N2CCCC2)cc1 89438859 RTZFSUDGWCCLIG-NRFANRHFSA-N 415.459 5.511 0 40 HKAB COc1ccc(SCC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 90608255 NCZSAIIYEMVZOZ-UHFFFAOYSA-N 409.473 5.359 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccc1C 216272643 XZFGJTMYLMYIHN-PKTZIBPZSA-N 409.982 6.425 0 40 HKAB Cc1cc(C)c([C@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1C 223403399 RFYAXWVNNJCSNA-INIZCTEOSA-N 406.389 5.485 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1ccccc1 224362593 YEWOVDSIJAFXJP-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1cccc(Cl)c1 224486411 DLEGVPVBVRTACH-UHFFFAOYSA-N 409.913 5.290 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc(Cl)cc1Cl 225378394 NBZCICAFHNCHNO-SFHVURJKSA-N 408.325 5.353 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3Cl)c2)cc1 225437949 PFVHINYKEIYKJV-UHFFFAOYSA-N 420.940 6.071 0 40 HKAB Cc1cc(NC(=S)NCCCc2cccc(OC(C)C)c2)ccc1Br 225564972 MBUCBLSYWPOXFC-UHFFFAOYSA-N 421.404 5.464 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(OCCN3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225663151 IOWJIHRAIYEEDN-DNRQZRRGSA-N 416.606 5.111 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225703999 SADJLLNGLYXYGC-OFVILXPXSA-N 418.622 5.644 0 40 HKAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1OCC 225750527 PTGBRUIZONZDLL-CYBMUJFWSA-N 412.477 5.550 0 40 HKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1ccccc1Cl 225831514 XSTRWJUSNDHHHK-UHFFFAOYSA-N 403.869 5.628 0 40 HKAB COC(=O)c1cccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)c1 225863067 CNHWTCZKKJVHAK-UHFFFAOYSA-N 416.974 5.359 0 40 HKAB CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 257348013 ARVGMISWLZPBCH-IBBYOWLISA-N 412.702 7.945 0 40 HKAB CCc1ccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1 408585172 CBEABUXYFLWAQC-UHFFFAOYSA-N 410.311 5.843 0 40 HKAB O=C(Nc1ccccc1C(=O)NCc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 408616208 XGUHKTWZIQCMPI-UHFFFAOYSA-N 417.267 5.315 0 40 HKAB O=C1S/C(=C\c2ccc(Br)s2)C(=O)N1Cc1ccc(Cl)cc1 408871964 IMSKKHBYSOVHNA-GHXNOFRVSA-N 414.733 5.401 0 40 HKAB Oc1nc(-c2ccccc2OCc2ccccc2)nc2sc3c(c12)CCCCCC3 408989062 JPVQPUYZWYHLNI-UHFFFAOYSA-N 416.546 6.302 0 40 HKAB COc1ccc(-c2n[nH]cc2-c2cc(OCc3ccccc3)ccc2O)cc1OC 524735250 LGJPAOQYGYKCIN-UHFFFAOYSA-N 402.450 5.046 0 40 HKAB Cc1cccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2)c1 712310 BOSXBNSOCHWWHO-DEOSSOPVSA-N 400.909 5.918 0 40 HKAB O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccccc2)N1c1cccc(C(F)(F)F)c1 843889 QGVMZODZFSNDHL-QFIPXVFZSA-N 419.406 5.845 0 40 HKAB aggregator Cc1cc(-c2ccc(F)cc2)nc2cc(C(=O)Nc3ccccc3C(F)(F)F)nn12 1085046 GSLNGJMVUFBLGS-UHFFFAOYSA-N 414.362 5.115 0 40 HKAB CCc1cc([C@@H](c2cccc(F)c2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 1298756 MAVNJYXTFUQFKO-JOCHJYFZSA-N 424.541 5.124 0 40 HKAB CCCC(=O)N1CCc2cc(-c3csc(NC(=O)CCc4ccccc4)n3)ccc21 1365717 CTZNXCZITQTJCJ-UHFFFAOYSA-N 419.550 5.071 0 40 HKAB CCOc1ccccc1NC(=S)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1 1377793 VEOYJBYUHPFCCH-ROUUACIJSA-N 415.628 5.019 0 40 HKAB CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1cc(OC)c(OC)c(OC)c1 1835570 CYKQKAJIAQZTHQ-FQEVSTJZSA-N 409.419 5.089 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2N)cc1 2264291 WXNUAXDXCWLVBP-UHFFFAOYSA-N 406.477 5.268 0 40 HKAB CC(C)c1nc2sc3c(NCc4ccco4)ncnc3c2c2c1COC(C)(C)C2 2428543 RDZVDYHMGQHKIG-UHFFFAOYSA-N 408.527 5.419 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(-c3cccs3)o2)c2ccccc2)c1 2625620 LGIFHGBAMCQMJP-IBGZPJMESA-N 421.547 5.887 0 40 HKAB Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2ccccn2)c2ccccc2)c1C 2709617 GFNFWIFDCQRLCA-NRFANRHFSA-N 403.507 5.807 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCc3ccccc3)c2C(=O)OC)C1 2745284 UVSRDLFRZZCARW-QGZVFWFLSA-N 413.583 5.647 0 40 HKAB CCc1c(C)sc2ncn3nc(-c4ccc(COc5ccccc5Cl)o4)nc3c12 2808876 RPVCSIDSKLALHG-UHFFFAOYSA-N 424.913 5.702 0 40 HKAB Cc1cc(OCc2nc(-c3ccc(NC(=O)c4ccco4)cc3)no2)ccc1Cl 2930858 HVSIBRVZEFZAJW-UHFFFAOYSA-N 409.829 5.123 0 40 HKAB CC(C)(C)CC(C)(C)NC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 3013001 LKKYNGHAJCLEKD-UKRRQHHQSA-N 412.456 5.081 0 40 HKAB Clc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(Oc3ccccc3)n2)cc1 3091018 CVTVXWIBRFALJN-UHFFFAOYSA-N 424.291 6.458 0 40 HKAB CCN1C(=O)c2cccc3c(NC(=O)c4sc5ccccc5c4Cl)ccc1c23 3200889 SODPYSOETPVWSU-UHFFFAOYSA-N 406.894 5.940 0 40 HKAB CC[C@H](C)CCCCn1c(SCc2ccc(Cl)cc2)nc2ccccc2c1=O 3271374 NYKZHBCJOCIPIH-KRWDZBQOSA-N 415.002 6.559 0 40 HKAB CCCSc1nnc(-c2ccc(Br)cc2)n1-c1cc(C)cc(C)c1 3294766 RIEHEPZLORCRFX-UHFFFAOYSA-N 402.361 5.816 0 40 HKAB CCC(/C=C1\Sc2ccc(OC)cc2N1CC)=C1\N=C(c2ccccc2)OC1=O 4048105 CREVGSGVEBCKLT-MYTRHGCZSA-N 406.507 5.136 0 40 HKAB O=C(CCc1ccccc1)Nc1nnc(SCc2c(F)cccc2Cl)s1 4087841 DAAFLEJEAIPCDI-UHFFFAOYSA-N 407.923 5.194 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccncc2)cc1 4624193 TXYBUJYWYJCOPK-RBBKRZOGSA-N 410.304 5.939 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1)c1ccccc1F 4699567 PFJRRHWOHDFMBC-UHFFFAOYSA-N 408.885 6.522 0 40 HKAB O=S(=O)(NC1c2ccccc2Oc2ccccc21)c1ccc(C2CCCCC2)cc1 4760915 JPGKGSQFIANWII-UHFFFAOYSA-N 419.546 5.908 0 40 HKAB Cc1sc2nc(C3CCCCC3)nc(SCC(=O)NCc3ccco3)c2c1C 4848090 HZEGGSFIUROHKP-UHFFFAOYSA-N 415.584 5.357 0 40 HKAB CCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccc(C(C)(C)C)cc2)cc1 4866047 LSJBSZWIMSUMGI-QFIPXVFZSA-N 418.459 5.156 0 40 HKAB COCCN(Cc1cc2cc(C)cc(C)c2nc1Cl)C(=O)Nc1ccccc1F 4880912 YLOXNEBQHJWHKE-UHFFFAOYSA-N 415.896 5.325 0 40 HKAB COc1ccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3cc(C)cc(C)c3)oc2c1 4937830 WVKJZKYZXGKAOK-IZHYLOQSSA-N 419.502 5.123 0 40 HKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 5651457 KZJWDPNRJALLNS-ZFVHJZABSA-N 414.718 8.025 0 40 HKAB biogenic,in-vitro CCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 5674373 YPUWRQINZXFYBE-UHFFFAOYSA-N 408.885 5.172 0 40 HKAB CN(C)c1ccc(C2=NNC(c3ccc(F)cc3)=Nc3c2ccc2ccccc32)cc1 6135810 QIBJHDXOXLXQSL-UHFFFAOYSA-N 408.480 5.479 0 40 HKAB CC(C)c1ccccc1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 6551409 VHKCUPJFOPKWFS-UHFFFAOYSA-N 414.461 5.414 0 40 HKAB CN(Cc1ccc(F)cc1)c1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 6627007 SCFYQNDFRMFHBW-UHFFFAOYSA-N 404.514 5.408 0 40 HKAB Cc1ccc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)cc1C 6792496 TXGMKRZACICHLG-UHFFFAOYSA-N 407.477 5.177 0 40 HKAB CCc1ccc2oc(C(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)c(C)c2c1 6810597 OGKAEKFNGQMDLU-UHFFFAOYSA-N 407.897 6.393 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)CC1 7505020 HRKISSRVKWVYNW-QGZVFWFLSA-N 421.368 5.035 0 40 HKAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7789945 WTMGTBBBAGHASF-UHFFFAOYSA-N 418.522 5.265 0 40 HKAB COc1ccc(-c2nc(CN(C)Cc3ccc(SC)cc3)cs2)cc1OC 8066201 IMHBFOBCJHEUFN-UHFFFAOYSA-N 400.569 5.181 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 8475507 ZKBHEUPKPYXBGL-CQSZACIVSA-N 404.853 5.231 0 40 HKAB CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)cc2)cc1 8836411 IUVVUSRWRXYRGT-ISKFKSNPSA-N 422.887 6.120 0 40 HKAB CCCn1c(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)nc2ccccc21 10652709 BUEXGBAMNQYGII-UHFFFAOYSA-N 407.477 5.309 0 40 HKAB Cc1cc2oc(=O)c(C)c(C)c2c2c1C(=O)C[C@@H](c1ccc(Br)cc1)O2 11867460 VPIMUBYWAXPFRG-INIZCTEOSA-N 413.267 5.187 0 40 HKAB CCOc1cc(Nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)nc(C)n1 12225447 MPMYZVROWFWVOY-UHFFFAOYSA-N 416.403 5.198 0 40 HKAB O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1ccc(Br)o1 12377041 CWVMIUGXCGEDBZ-UHFFFAOYSA-N 410.227 5.011 0 40 HKAB COc1ccc2c(c1)c(C(=O)N(C)Cc1nc3ccccc3s1)c(C)n2C1CC1 12526565 YJYBDJFRVNFMFP-UHFFFAOYSA-N 405.523 5.175 0 40 HKAB Cc1ccc(NC(=O)Cc2nc(CSc3nc4cc(C)ccc4[nH]3)cs2)cc1 12551510 QHDXRMCOWGRJCT-UHFFFAOYSA-N 408.552 5.110 0 40 HKAB O=c1cc(CSCc2ccc(Cl)c(Cl)c2)nc2sc3c(n12)CCCC3 12582278 KIMOYFPVWJFXQK-UHFFFAOYSA-N 411.379 5.375 0 40 HKAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@H]4CCCC[C@@H]4Cc4ccco4)[C@H]3C=C12 12659998 YEXCLAFCAHCLGV-WFAKVDRCSA-N 411.586 5.285 0 40 HKAB O=C(Nc1nc2c(s1)CCCCC2)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 12740433 DTEDKVAOLLNJBW-UHFFFAOYSA-N 424.423 5.008 0 40 HKAB O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 13098545 DIWGNIHGTZUELS-UHFFFAOYSA-N 413.020 6.027 0 40 HKAB O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(Br)cc1 17156676 USZOMNMOIMQLPW-UHFFFAOYSA-N 423.719 5.488 0 40 HKAB Clc1ccc(-c2nnc(CSc3nc(-c4ccccc4Cl)n[nH]3)o2)cc1 19928214 RKFUXACNOPUKTR-UHFFFAOYSA-N 404.282 5.121 0 40 HKAB CCCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1 21580393 PWZNOPMBBLVQSU-UHFFFAOYSA-N 401.466 5.280 0 40 HKAB CCn1cc(C(=O)Nc2ccc(Cl)cc2C)c(=O)c2cc(C(F)(F)F)ccc21 22236771 QANMJGJJROGVEN-UHFFFAOYSA-N 408.807 5.254 0 40 HKAB CCc1ccc(CCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 22914117 BTVHFGUQXXTKRH-UHFFFAOYSA-N 412.577 5.115 0 40 HKAB Cc1c(C(=O)Nc2ccccc2)sc2c1[C@H](c1ccc(C(=O)O)cc1)CC(O)=N2 32094097 TYBWZOZDZKYYLB-INIZCTEOSA-N 406.463 5.131 0 40 HKAB Cc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)c(Cl)c1 32578559 UKDDXRMWYXKPEV-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB O=C(NCCSc1ccccc1)c1ccccc1-c1ccc(Cn2cccn2)cc1 32906368 SCROJXLVTGIHNC-UHFFFAOYSA-N 413.546 5.121 0 40 HKAB FC(F)(F)c1ccc(-c2noc(CSc3ccc(-c4ccccc4)nn3)n2)cc1 33021881 DEOGTRBXNFKFCA-UHFFFAOYSA-N 414.412 5.505 0 40 HKAB O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1cccc2ccccc12 34863946 CHGVRNFRNYGTRJ-UHFFFAOYSA-N 422.509 7.008 0 40 HKAB O=C(Nc1cccc(C(=O)N2CCCCC2)c1)c1cccc(Oc2ccccc2)c1 40155981 MXOVOSUKSADNHE-UHFFFAOYSA-N 400.478 5.357 0 40 HKAB COc1cccc(CN2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccccc2F)c1 40485819 PPMJLNOAXNWANV-QFIPXVFZSA-N 407.416 5.026 0 40 HKAB CCCCOc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3Cl)no2)cc1 46086567 IKFLKUTXWIOUJF-UHFFFAOYSA-N 405.281 6.080 0 40 HKAB Cc1cccc2sc(NC(=O)Cc3csc(Nc4ccc(Cl)cn4)n3)nc12 49029706 QHFLXBPYGIXKOM-UHFFFAOYSA-N 415.931 5.034 0 40 HKAB CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](CC(C)C)c3nc4ccccc4[nH]3)o2)cc1 49581188 LDWCYUGRIMGPDR-OAQYLSRUSA-N 415.493 5.543 0 40 HKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)c1 57313099 GQPKNTNTEFPJIQ-UHFFFAOYSA-N 416.949 5.782 0 40 HKAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccccc1OCc1ccc(F)cc1 59195157 CWTPSZXKUCAILT-MOSHPQCFSA-N 407.828 5.403 0 40 HKAB Cc1ccc2cccc(NC(=O)COc3ccc(C4SCCCS4)cc3)c2n1 72090943 YPXBBWYPSDGTIX-UHFFFAOYSA-N 410.564 5.429 0 40 HKAB Cc1ccc(CC(=O)N2CCc3nc(-c4cccc(C(F)(F)F)c4)sc3C2)cc1 72391989 NCSLUJVSOAVGDW-UHFFFAOYSA-N 416.468 5.265 0 40 HKAB O=C(CN1CCCCC[C@H]1C[C@@H](O)c1ccccc1)Nc1ccccc1C(F)(F)F 79052014 CVFSFZOCGDMFRB-GHTZIAJQSA-N 420.475 5.012 0 40 HKAB CCCCSc1nnc(NC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1 80344169 ZKNMGDYAQGMQKC-OLZOCXBDSA-N 402.372 5.479 0 40 HKAB COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1OC(C)C 85412759 QVIHIQJQMDOQBK-HXUWFJFHSA-N 415.559 5.364 0 40 HKAB O=C(N[C@@H]1CCOc2ccccc21)[C@H]1CCCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1 95992968 DCLIFWJAXIUTGS-XYJFISCASA-N 409.917 5.130 0 40 HKAB Cc1cc(N2C(=O)[C@H]3C[C@@H](c4ccccc4)CC[C@H]3C2=O)cc(C)c1Br 101257681 CHHCHFDZBHHLJO-UHOSZYNNSA-N 412.327 5.139 0 40 HKAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1Cl 104728309 FORUKOSNQXWJNS-LJQANCHMSA-N 413.304 5.493 0 40 HKAB COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccccc1 107042435 OBAZGHTUSDGTQB-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 118916347 JNLBJTOWMWKEJV-SKXDOYTLSA-N 418.618 5.873 0 40 HKAB Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)ccc1Cl 222844247 VPIMTSJUCQTLCF-NHCUHLMSSA-N 410.974 5.215 0 40 HKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)N[C@H](C)c4ccc(F)cc4)ccc32)c1 223086191 YOJFGCJUWMMKIZ-GOSISDBHSA-N 416.496 5.218 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)c1 223144738 QBHBFJPYHVKRBW-NFBKMPQASA-N 421.581 6.229 0 40 HKAB COc1ccc(C(=O)NC2CCCCCC2)cc1CSc1ccc(Cl)cc1 224345221 JKPMBLQTGKFFHU-UHFFFAOYSA-N 403.975 6.094 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccc(OC)cc1 224597234 NXSZSAYWBSYBQE-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 225266987 XMJITNDTCNNXDI-UHFFFAOYSA-N 401.506 5.784 0 40 HKAB CCC1(CC)C[C@H](NC(=O)CSCc2c(F)cccc2Cl)c2ccccc2O1 225515753 MHHFIQAQOWRUPH-IBGZPJMESA-N 421.965 5.911 0 40 HKAB O=C1c2ccccc2CN1c1ccc2nc(-c3ccccc3Br)oc2c1 226286973 FQQCKCIBBHGAQR-UHFFFAOYSA-N 405.251 5.418 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253609289 LNGLEOIUQBVRRY-YZCVPHBJSA-N 400.647 6.856 0 40 HKAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1cccc(Br)c1 408562736 RVJIECUAAWIOCF-XDOYNYLZSA-N 415.356 5.357 0 40 HKAB Cc1ccccc1CNC(=S)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408578849 ZSQHEHCLTPTHQJ-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1C 408695469 QSBRCUXSHKTHIM-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)c(C)c3)n2)cc1 408699177 RVJUCVXXQVVCQN-UHFFFAOYSA-N 410.521 5.674 0 40 HKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1 409176868 ZPHLIBOKQPJVTJ-MWFWJRPISA-N 405.607 6.654 0 40 HKAB O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1cccs1 409179516 RUDPOEXJAUTXNM-UHFFFAOYSA-N 407.878 5.656 0 40 HKAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)C2=O)cc1 409247836 OFYWJCLITVONHM-UDWIEESQSA-N 406.869 5.310 0 40 HKAB C[C@@H]1CCCN(S(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccc(Cl)cc2)C1 606422394 WNABTSMSHPNXHH-OAHLLOKOSA-N 416.930 5.083 0 40 HKAB CCc1ccc(Oc2coc3cc(O[C@@H](C)C(=O)OCC(C)C)ccc3c2=O)cc1 950724 BVUVEJSEALZXBV-INIZCTEOSA-N 410.466 5.114 0 40 HKAB CCc1ccc(Oc2coc3cc(O[C@H](C)C(=O)O[C@@H](C)CC)ccc3c2=O)cc1 957146 MRCMRJZUFQRRRH-JKSUJKDBSA-N 410.466 5.257 0 40 HKAB Cc1nc2c(cc1NC(=O)Nc1cccc(Cl)c1)nc(C)n2Cc1ccccc1 1336292 YGRJOROUCPDFBY-UHFFFAOYSA-N 405.889 5.394 0 40 HKAB Cc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)N3CCC(C)CC3)c2c1 1367630 GXHUZNVTWPEOEO-UHFFFAOYSA-N 409.530 5.095 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)OCCOc1ccc(Cl)cc1Cl 1699866 WFHNFHBMRYXDHT-UHFFFAOYSA-N 410.080 5.301 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F 2069692 SIDFEIYCPXYJNB-UHFFFAOYSA-N 403.831 6.520 0 40 HKAB CCSc1nc2sc3c(c2c(=O)n1CC1CCCCC1)CCc1ccccc1-3 2296051 VGDLYYNGFHYXJT-UHFFFAOYSA-N 410.608 5.916 0 40 HKAB CCOc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1 2344361 KIBHBQZLICAOSB-UHFFFAOYSA-N 403.413 5.194 0 40 HKAB CC(=O)N(CC[C@@H](C(C)C)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 2347701 QDDZRHHYNAPSFM-UPVQGACJSA-N 403.607 5.690 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(COc2ccc(Cl)cc2)cc1 2662739 OTDDCVHLYDGUSU-UHFFFAOYSA-N 405.803 6.190 0 40 HKAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccccc1Cl 2889679 VGOGHHQSGSAKDN-UHFFFAOYSA-N 401.871 5.116 0 40 HKAB FC(F)(F)c1cccc(Sc2snnc2-c2ccc(Cl)c(Cl)c2)c1 3128718 RJBMURAISCCAQE-UHFFFAOYSA-N 407.269 6.682 0 40 HKAB O=C(COC(=O)/C=C/c1ccccc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1 3276308 QFBFWQJQSBZVLQ-VMPITWQZSA-N 418.198 5.207 0 40 HKAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc4ccccc34)c2C1 3312635 IBPNUXZHULZBIG-QGZVFWFLSA-N 424.500 5.308 0 40 HKAB CCCC1=C(C(=O)OC)[C@H](c2ccc(Cl)cc2)NC(=O)N1c1ccc(Cl)cc1 3418862 XINHWEFJKNJKGB-IBGZPJMESA-N 419.308 5.492 0 40 HKAB O=C(NCc1c(-n2cccc2)cccc1-n1cccc1)c1ccc(Cl)c(Cl)c1 4054867 JCWZMDYKORFUMM-UHFFFAOYSA-N 410.304 5.505 0 40 HKAB O=C(c1ccccc1Cl)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 4188712 MFLXDZCEYZZZTD-UHFFFAOYSA-N 418.949 6.353 0 40 HKAB CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)C3CCCCC3)cc2c1 4231114 NNHDWBIMWFVARJ-UHFFFAOYSA-N 424.566 5.097 0 40 HKAB Clc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1 4733709 NCCZXNAJQYHOBX-UHFFFAOYSA-N 412.276 5.823 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)NCCCc1ccccc1 5243027 KTRWYFMVYRIZAY-UHFFFAOYSA-N 413.546 5.138 0 40 HKAB O=C(Nc1ccc(/C=C/c2nc3ccccc3o2)cc1)c1cccc(C(F)(F)F)c1 5705072 JQKYQXQJCJPZPX-JLHYYAGUSA-N 408.379 6.269 0 40 HKAB CC(C)(C)c1ccc(OCCNC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 5840732 ODRWLJOIGLRFIR-NRFANRHFSA-N 416.565 5.122 0 40 HKAB Cc1ccccc1CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1C 6151171 JOERHVLTHGGGNS-UHFFFAOYSA-N 406.938 5.948 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 6308321 BOFRFOUQZDYGFX-GOSISDBHSA-N 422.550 5.278 0 40 HKAB Cc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1C 6421514 AGXYSXAZJVWCGI-UHFFFAOYSA-N 405.954 6.497 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc5ccccc5o4)c3)nc2c1 6440214 WJLIYAZLRWDUMB-MRXNPFEDSA-N 410.473 7.007 0 40 HKAB Cc1cccc(Oc2ccc(Cl)cc2NC(=O)c2csc3c2CC[C@H](C)C3)c1 7652112 VIOHHYHUDVTNBO-HNNXBMFYSA-N 411.954 6.879 0 40 HKAB CC1CCN(c2ccc(N[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)cc2)CC1 8136283 JQXGLJYYURMVHM-NRFANRHFSA-N 413.565 6.029 0 40 HKAB Cc1cc(CSc2ccccc2C(=O)Nc2ccc(N3CCCCCC3)cc2)no1 8156648 RQQFTDHZVRLVOA-UHFFFAOYSA-N 421.566 5.908 0 40 HKAB COc1cc(CNCc2ccccc2Cl)cc(Cl)c1OCc1ccccc1 8470376 LGLLEWRVVJYOPW-UHFFFAOYSA-N 402.321 5.871 0 40 HKAB O=C(Oc1ccc(Cl)cc1)c1nc(SCc2ccc(F)cc2)ncc1Cl 8868319 LMPOMWSULCMGPO-UHFFFAOYSA-N 409.269 5.434 0 40 HKAB COc1ccc(C(=O)OC[C@@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1 8925826 MNRIQUJHHPGKFH-OAQYLSRUSA-N 424.884 5.068 0 40 HKAB Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 9062748 PRGNKIORBPDPNO-KRWDZBQOSA-N 402.941 5.185 0 40 HKAB Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(-n3sc(=S)nc3C)n2)cc1 9086489 HNMLSBRZHNKQMB-UHFFFAOYSA-N 421.555 5.261 0 40 HKAB CCCOc1ccc(C(=O)Oc2ccc(C(=O)OC(C)C)cc2)cc1Br 9267340 YTKQYDZJOLTSFG-UHFFFAOYSA-N 421.287 5.022 0 40 HKAB COc1cc(-c2nc3ccc(Br)cn3c2Nc2ccc(C)cc2)ccc1O 9290193 GARJICQHGYHECD-UHFFFAOYSA-N 424.298 5.530 0 40 HKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 9367666 KVOOJNPNVQUESV-UHFFFAOYSA-N 422.381 6.057 0 40 HKAB Cc1ccc(Cl)c2sc(N3CCN(C(=O)c4cccc5ccccc45)CC3)nc12 9544099 FHQCZGLFILVJPS-UHFFFAOYSA-N 421.953 5.374 0 40 HKAB CCCCN1C(=O)c2cccc3c(NC(=O)Cc4ccc(C(C)C)cc4)ccc1c23 10096278 ROTWNUDNQPZXST-UHFFFAOYSA-N 400.522 5.905 0 40 HKAB Brc1ccc(-c2oc(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1 12547144 NERIYVMKPWPUJX-UHFFFAOYSA-N 415.290 6.919 0 40 HKAB COc1c(C)cccc1C(=O)Nc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1C 12651269 UEGHGZFFAJHPNE-UHFFFAOYSA-N 400.478 5.989 0 40 HKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CN[C@H](C)c1ccc(F)c(F)c1 12867844 QGQJCYKLHRYLAC-GFCCVEGCSA-N 424.322 5.984 0 40 HKAB Cc1sc2ncnc(N[C@H](C)C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)c2c1C 12928641 OZFUCPJNBOTYEH-VXGBXAGGSA-N 422.476 5.005 0 40 HKAB Cc1sc2nc(S[C@H](C)C(=O)c3ccc(F)c(F)c3)n(C(C)C)c(=O)c2c1C 13138259 IHWPVYWCDVGOLF-GFCCVEGCSA-N 422.522 5.297 0 40 HKAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1Oc1ccccc1 15585046 DBPCCTXNMFYZDG-UHFFFAOYSA-N 419.868 5.754 0 40 HKAB COc1cc2nccc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1OC 16052729 ZATGFXTWDKIEKC-UHFFFAOYSA-N 414.461 5.090 0 40 HKAB in-vivo CCCC(=O)Nc1ccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)cc1 16637189 WRUXAJGMQLXDRY-BJMVGYQFSA-N 407.297 5.393 0 40 HKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(S[C@@H](C)c4ccccc4)ncnc32)c1 16757666 CUMSMNYZJHPVLT-FQEVSTJZSA-N 421.569 7.249 0 40 HKAB COc1cccc(CN[C@H]2CCC[C@@H]2Cc2cc(C)no2)c1OCc1cccc(F)c1 19120694 PWUMZFHYBKRCBP-XXBNENTESA-N 424.516 5.211 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cc1F 20110300 ZSOLOIWRHBQNSX-IBGZPJMESA-N 402.263 5.538 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)ccc21 20499110 SZKFWOZZMHUSDN-IBGZPJMESA-N 414.549 6.652 0 40 HKAB O=C(Nc1ccccc1Br)c1cc(=O)c2cc(Cl)cc(Cl)c2o1 27793023 JXQVQKOYTGTRAD-UHFFFAOYSA-N 413.054 5.115 0 40 HKAB Cc1ccc([C@H](NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccc2)cc1 30862920 SAODBYZRWLWOBB-YADARESESA-N 407.941 5.938 0 40 HKAB CC(C)c1ccc(NC(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 33326034 UWTQGTDWYUHFMN-HXUWFJFHSA-N 421.566 5.502 0 40 HKAB COc1ccccc1/C=C1/CCC[C@@H]2C1=NN(C(=O)C1CC1)[C@@H]2c1ccccc1OC 33676443 LDBGZTMDCAXTSF-ZOVNQKHKSA-N 416.521 5.237 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)cc1OC 40087543 MMHKOZXIAOWFEM-GOSISDBHSA-N 422.525 5.176 0 40 HKAB Cc1ccc(C)c(NC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)c1 40114642 YTRIIOCPXSQFRA-UHFFFAOYSA-N 416.905 5.970 0 40 HKAB COc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 44933221 VSOUPEQPYGRXSH-OAHLLOKOSA-N 421.368 5.091 0 40 HKAB Cc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccccc2Cl)no1 46012310 QOYWJVUNBQSYST-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CCCCc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3nc(C)ccc23)cc1 49004949 PDZXSAVHPPEUPB-UHFFFAOYSA-N 420.582 5.213 0 40 HKAB O=C(c1cnc2ccccc2c1Nc1cccc(C(F)(F)F)c1)N1CCSCC1 64658259 UOGSVSXGKYGAKT-UHFFFAOYSA-N 417.456 5.186 0 40 HKAB O=C(Nc1ccc(Cl)cc1)n1nccc1-c1ncc(C(F)(F)F)cc1Cl 91695655 LHXMCKSBLWZPAD-UHFFFAOYSA-N 401.175 5.351 0 40 HKAB Cc1n[nH]c(C)c1CCC(=O)NCC[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 96232113 BGYRASGTHUEPQH-QFIPXVFZSA-N 413.924 5.090 0 40 HKAB O=C1S/C(=C/c2ccc3c(c2)CCCO3)C(=O)N1Cc1cccc2ccccc12 98086330 MAWBNNAXVZVJTL-HYARGMPZSA-N 401.487 5.401 0 40 HKAB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@@H](c4ccsc4)C3=C(O)C2)cc1OC 102737956 WIXPAIRCLDFMJA-YCRPNKLZSA-N 422.506 5.669 0 40 HKAB COc1ccc(CC/N=c2/cc(-c3ccccc3)oc3cc(C)cc(C)c23)cc1OC 103927697 UIQWWDHEPKQZHK-SLMZUGIISA-N 413.517 5.877 0 40 HKAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1cccc(OCc2ccccc2Cl)c1 205667266 AYMPLLNQJCEGGG-FYJGNVAPSA-N 424.283 5.917 0 40 HKAB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(OC)c1 214388411 XSYVVAIDXVHHFC-REZTVBANSA-N 424.305 5.247 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)cc(C)c1Br 218842704 ZXSGZAUMCILJGH-UHFFFAOYSA-N 418.331 5.405 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c(C)c1 223075465 QOOYVZGOCWMFRB-UHFFFAOYSA-N 418.924 5.802 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)cc(C)c1Br 224245060 HPFXGVXZEIDQJN-UHFFFAOYSA-N 410.311 5.335 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1CN1CCCC1 224788590 URGRMITYIDFORK-NRFANRHFSA-N 402.991 5.123 0 40 HKAB CC[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(OC)c(C)c1 225492048 NQCULDQTPOYEQH-QHCPKHFHSA-N 423.940 6.117 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCCCCC1 225659396 ZVKZPJPZXXLDGW-UHFFFAOYSA-N 416.606 5.255 0 40 HKAB CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OCC)c2)CCC(C)CC1 225856672 HIOMNNMAXBMSDJ-JZGPVCMCSA-N 419.562 5.355 0 40 HKAB COc1ccccc1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257239104 HNZRJGZQOXGSOY-OAQYLSRUSA-N 424.928 5.224 0 40 HKAB CCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccccc2OCC)n(CC(C)C)n1 257288832 PVWWQGNCAAYOEQ-UHFFFAOYSA-N 422.525 5.298 0 40 HKAB CCO[C@]1(C(=O)Nc2ccc(OCCCN3CCC[C@H](C)C3)cc2)CCC[C@H](C)C1 260812622 HXZRBLHJDVOPBD-STWLZBDKSA-N 416.606 5.111 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccc(F)cc2)c1 408699094 RKWWQSSQFBNYGR-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc4ccccc34)C2=O)cc1C 409173478 IRBVFWRCEOFXEB-FYJGNVAPSA-N 416.502 5.132 0 40 HKAB COc1ccc(Cl)cc1C(=O)/N=c1\sc(C)c(-c2ccc(Cl)cc2)n1C 409197436 FJJYWYZLPKVNIE-QOCHGBHMSA-N 407.322 5.119 0 40 HKAB C/C(CCCC(C)(C)O)=C1/CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1560408788 JWPUNBQDWNHOIQ-OPSDYURISA-N 400.647 6.568 0 40 HKAB O=C(c1cc2ccccc2[nH]1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 2037846228 NAWLLSVMXVJIBC-JOCHJYFZSA-N 403.457 5.253 0 40 HKAB O=C(Nc1ccccc1)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1ccccc1Cl 642466 CJDOZMFPACQMPV-REWPJTCUSA-N 401.897 5.896 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(F)cc4C)sc3n2)c1 661219 MYOBNZGBHSSQIO-UHFFFAOYSA-N 407.470 5.254 0 40 HKAB Cc1ccc(N2C(=S)N(C)C(=O)/C2=C\c2ccccc2OCc2ccccc2)cc1 679326 UGQVEJZXJXOJHZ-CJLVFECKSA-N 414.530 5.178 0 40 HKAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@H]12 854654 HOYCNZGAXMXRFI-IOXNAGQWSA-N 407.513 5.264 0 40 HKAB biogenic CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc(C)cc(C)c2cc1C 932959 QSQJKYFZRACIHM-UHFFFAOYSA-N 408.523 5.068 0 40 HKAB Cc1ccc2nc3sc(C(=O)Nc4ccccc4C(F)(F)F)c(N)c3cc2c1 976951 QPNSSPAZALTTBP-UHFFFAOYSA-N 401.413 5.611 0 40 HKAB Cc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)c1 1212274 MNRJSTJHKFIQKZ-JKURPRQGSA-N 417.508 5.419 0 40 HKAB Nc1c(Br)cc2oc(-c3ccc(Cl)cc3)nc2c1Br 1288490 HPNXRBUKMNTVDM-UHFFFAOYSA-N 402.473 5.255 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)Nc3cccc(Cl)c3)C3CCCC3)cc2c1 1353027 GYLLLCDFZSOMGK-UHFFFAOYSA-N 409.917 5.467 0 40 HKAB CCOC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2)sc2c1CCCC2 1773619 IKRRZFCBOACKLJ-UHFFFAOYSA-N 421.946 5.255 0 40 HKAB CCN(CC)c1ccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c(C)c1 1841879 KWDGORZOZOJHCM-JXMROGBWSA-N 407.341 5.809 0 40 HKAB COc1ccc(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1C 1889638 MDGAYZILJVNQRA-UHFFFAOYSA-N 415.514 6.301 0 40 HKAB CCCOc1ccc(-c2csc3ncn(Cc4cccc(Cl)c4)c(=O)c23)cc1 1911991 KAFCHFOCTPLIOS-UHFFFAOYSA-N 410.926 5.616 0 40 HKAB CC(C)Cn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 2283600 SDSYQYFOPGLQAJ-UHFFFAOYSA-N 414.596 5.258 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 2582328 ZVPLONNQICYKMP-QPJJXVBHSA-N 409.744 5.317 0 40 HKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4C)c3N2)cc1 3012790 WFOLSPRSFQUWTK-OALUTQOASA-N 414.431 5.413 0 40 HKAB CCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)cc1 3770790 RABNROSUDWETLC-UHFFFAOYSA-N 414.505 6.461 0 40 HKAB COC(=O)C[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C(C)C)cc1 4072840 YSDBBLSKVHQPRP-SFHVURJKSA-N 409.313 5.543 0 40 HKAB O=c1cc(CN2CCc3ccccc32)occ1OCc1ccc(Cl)cc1Cl 4304685 NAKLKQUVIXWCAM-UHFFFAOYSA-N 402.277 5.088 0 40 HKAB c1ccc(-c2cc(-c3nn4c(-c5ccncc5)nnc4s3)c3ccccc3n2)cc1 4772658 PKLORRIQZXDWNF-UHFFFAOYSA-N 406.474 5.130 0 40 HKAB COc1ccccc1Oc1c(C)oc2cc(OCc3ccccc3F)ccc2c1=O 5215753 FVNRIGQQVXKUJD-UHFFFAOYSA-N 406.409 5.620 0 40 HKAB biogenic Cc1nc(N)nc(-c2ccc(OCc3cccc(Cl)c3)cc2O)c1-c1ccccc1 5354296 XPXLQUBGKZUNDM-UHFFFAOYSA-N 417.896 5.639 0 40 HKAB COc1ccc(-c2noc(CN(C(=O)CCc3ccccc3)C3CCCCC3)n2)cc1 5451265 QWZUYRNALNJQAR-UHFFFAOYSA-N 419.525 5.039 0 40 HKAB CSc1ncccc1C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 5559489 PYRCKFDSHYTJLM-UHFFFAOYSA-N 403.532 5.846 0 40 HKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4)cc3n2)cc1 6264756 XRIWBQMWNILAHD-UHFFFAOYSA-N 414.509 5.089 0 40 HKAB CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 6345691 PEEDRCPMDRKZLJ-NVMNQCDNSA-N 405.878 5.503 0 40 HKAB CC(C)c1ccc(O[C@H](C)c2nnc(SC(=O)c3ccc(Cl)cc3)n2C)cc1 6390432 LYSHSRBZKREDEP-CQSZACIVSA-N 415.946 5.664 0 40 HKAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)c1ccc2c(c1)CCC2 6531920 USYLKTOIHVDPJG-MRXNPFEDSA-N 403.551 5.056 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1S(=O)(=O)Nc1ccccc1 6553308 POCFVDNZXPQRIF-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)cc1 6839547 IPOXEHOHBAMQCG-UHFFFAOYSA-N 400.434 5.223 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 6891067 XVMGNZHXQFCGFK-UHFFFAOYSA-N 402.705 6.087 0 40 HKAB Cc1c(OCc2nnc(SCCOc3ccccc3)n2C)ccc2ccccc12 7341778 NGCATMVRZJXFDV-UHFFFAOYSA-N 405.523 5.027 0 40 HKAB O=C(C1c2ccccc2Oc2ccccc21)N(Cc1cccs1)C[C@@H]1CCCO1 8062680 LHGGRJIMTGKQDO-KRWDZBQOSA-N 405.519 5.194 0 40 HKAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc1O2 9134936 DHWZJILRZYGMNB-UHFFFAOYSA-N 412.367 5.624 0 40 HKAB O=C([C@@H]1COc2ccccc2O1)N(c1cccc(Cl)c1)c1nc2ccccc2s1 9949746 GQKRZCFXAAQNTF-IBGZPJMESA-N 422.893 5.454 0 40 HKAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2cccs2)c1 10246611 AYOJPEMUGCQWOO-UHFFFAOYSA-N 422.462 5.016 0 40 HKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C1(c2ccccc2)CCCC1 10372823 IHOUQGKHWCPUAB-UHFFFAOYSA-N 412.489 5.954 0 40 HKAB CC(C)Oc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 10715437 SJXWXCSILHCSJK-UHFFFAOYSA-N 414.299 5.407 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@H](Nc2ccc(Br)cc2)c2ccccc2)c1 12597958 MOSJNHHVAFSOAC-OAQYLSRUSA-N 423.310 5.444 0 40 HKAB CCCC(=O)N1N=C(c2ccc(C(C)(C)C)cc2)Sc2c1ncn2C(=O)CCC 16777762 YTNKIHUDAOKBQM-UHFFFAOYSA-N 412.559 5.222 0 40 HKAB CCOc1ccc(NCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)cc1 18178814 GIPVMPWRQKFQJJ-UHFFFAOYSA-N 416.525 5.022 0 40 HKAB O=C1CC[C@]2(CC[C@H](NC(=O)c3ccccc3-c3ccccc3)C[C@@H]2c2ccccc2)N1 19740089 LEJYWWJRGARKSF-DLNIMUOOSA-N 424.544 5.069 0 40 HKAB O=C(CC1CCCCC1)N1CCC([C@H]2CCCCN(Cc3ccccc3)C2=O)CC1 19744886 DSPJFUBERLOYBS-XMMPIXPASA-N 410.602 5.024 0 40 HKAB COc1cccc2cc(C(=O)NCCSCc3c(Cl)cccc3Cl)oc12 19887862 MWCATCRXSADCBI-UHFFFAOYSA-N 410.322 5.411 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1OCC 20453390 BINSNWYRCHXREE-BTYIYWSLSA-N 421.990 5.886 0 40 HKAB COc1ccc([C@@H](NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C(C)C)cc1 21468206 RCQRDEUDPVQJDJ-QHCPKHFHSA-N 412.917 5.450 0 40 HKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 22510593 OLDNIYDFEBNWMG-OAQYLSRUSA-N 409.913 6.545 0 40 HKAB CC(C)N(C)C(=O)c1ccc(CNCc2ccc(-c3nc4ccccc4s3)o2)cc1 27219187 JQDPFFBEXHBUCB-UHFFFAOYSA-N 419.550 5.327 0 40 HKAB CC(C)c1ccc(-c2nc(Cn3cnc4c(oc5ccccc54)c3=O)cs2)cc1 31744324 ILJKONUBOVKJQS-UHFFFAOYSA-N 401.491 5.438 0 40 HKAB COc1ccc(-c2noc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)n2)cc1 32623927 SBIOQCVGKGWTCE-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB COc1ccccc1-c1nc(-c2cccc(NC(=O)Nc3cccc(C)c3)c2)no1 32647508 DPFNNVQFRQXJHC-UHFFFAOYSA-N 400.438 5.365 0 40 HKAB Cc1ccc(NCN2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)c(C)c1 33907148 RCNDLSDTJGLEHI-LICLKQGHSA-N 417.328 5.172 0 40 HKAB CCOc1c(Br)cc(Br)cc1CNc1ccc(F)cc1 37210551 NRNMJGSVRDEOKG-UHFFFAOYSA-N 403.089 5.362 0 40 HKAB CCc1ccc(C(=O)C[C@H](C(C)C)[C@H](C=C(C)C)C(=O)c2ccc(CC)cc2)cc1 39379244 AVPTTZVZGLVZKB-FTJBHMTQSA-N 404.594 7.122 0 40 HKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl 44902223 JYPQYJWTLJNAKQ-GOSISDBHSA-N 416.345 5.340 0 40 HKAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72214835 CUGQFDADQHFYNH-HXUWFJFHSA-N 409.530 5.210 0 40 HKAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 72215005 MBQYIFKVTRPWOF-HSZRJFAPSA-N 423.601 6.350 0 40 HKAB O=C(CSc1nc(NC(=O)c2ccccc2)c(-c2ccccc2)o1)c1ccccc1 72238666 QHHGXPOZSIYMHC-UHFFFAOYSA-N 414.486 5.569 0 40 HKAB Brc1cc(-c2ccccc2)cc2nc(-c3ccc4ccccc4c3)oc12 73639219 LOUQDPSOKGNDEC-UHFFFAOYSA-N 400.275 7.078 0 40 HKAB O=C(COC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc(Cl)cc1Cl 215695009 ZZQAHEAJNMLJQL-UHFFFAOYSA-N 400.261 5.459 0 40 HKAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1cc(C)cc(C)c1C 224279784 NZQLPAWPPBHFTA-UHFFFAOYSA-N 421.562 6.174 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccc(C)c(C)c1 224295237 IHHYCZAAIVZTJA-UHFFFAOYSA-N 407.535 5.865 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1cccc2ccccc12 224300218 ZFNOLAVRJLZVGV-UHFFFAOYSA-N 411.501 6.297 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccc(OC)cc1 224597505 SZOQSUJXLAUOAW-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 225360813 VLJJDEVKUAAGFO-GOTSBHOMSA-N 419.550 5.482 0 40 HKAB Cc1cccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NC(C)C)c1 225507523 HARKZBDVLPKYGM-NRFANRHFSA-N 422.613 5.167 0 40 HKAB CC[C@@H]1O[C@@H]2c3cc(C(=O)O)ccc3OC(C)(C)[C@H]2C[C@H]1c1ccc(Cl)cc1 257210385 BUKLJXJWLKARSJ-MCNSAMFCSA-N 400.902 5.849 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3-c3ccccc3)cc2)cc1 408549343 XTOLBOXLOYCAFU-UHFFFAOYSA-N 409.554 7.207 0 40 HKAB O=C(Nc1ccccc1N1CCCC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408621252 KZXCZPJRPGFGNG-UHFFFAOYSA-N 401.293 6.106 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2cccc(C)c2)cc1 408697317 IXTQRWPWSSGWTC-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc4ccccc34)nn2-c2ccccc2)cc1 408699772 WEFUITKUDOCNHK-UHFFFAOYSA-N 404.473 5.648 0 40 HKAB O=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)NC1CCCCC1 408975340 AMNNPLSKHFLCPK-UHFFFAOYSA-N 424.508 5.208 0 40 HKAB O=C1N/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1c1cccc(Cl)c1 409091066 STAXPKCYOCXMLQ-CIAFOILYSA-N 422.843 5.155 0 40 HKAB CCc1ccc(-n2c(SCCOc3ccc(C)cc3)nnc2-c2ccncc2)cc1 409104700 FCPACJCAYHIWDH-UHFFFAOYSA-N 416.550 5.371 0 40 HKAB CC(C)CN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)c2ccccc21 409109727 JZMWHPAJABYXEK-MOSHPQCFSA-N 422.322 6.252 0 40 HKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 409377867 LTJBVFBPWQTQSM-UHFFFAOYSA-N 408.929 5.895 0 40 HKAB CN(C(=O)c1ccc(Cl)cc1)c1ccc(Oc2ncncc2-c2ccccc2)cc1 540349775 LPKORGSGUZDAMZ-UHFFFAOYSA-N 415.880 5.866 0 40 HKAB Cc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN23)cc1 1255472 SPWYNCKZDQQITE-NQIIRXRSSA-N 409.283 5.593 0 40 HKAB O=C(c1cccc2ccccc12)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 1296057 ZRAUYGYEAHVEAD-JOCHJYFZSA-N 400.865 6.078 0 40 HKAB O=C(Nc1ccccc1Cl)Oc1ccc(-c2ccccc2)cc1Br 1640180 ODCFYBWXCHDGIO-UHFFFAOYSA-N 402.675 6.380 0 40 HKAB CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc(N4CCCC4)cc3)c2c1 1892571 RLQCFSDDFBFANV-PBBVDAKRSA-N 424.544 6.503 0 40 HKAB C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2Cl)o1 2264978 JVVJSMOJKOWIOC-VIFPVBQESA-N 404.319 5.254 0 40 HKAB CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@@H](C(C)(C)C)C3 2275992 ZTLZUEJQVYKZKD-OAHLLOKOSA-N 412.624 6.019 0 40 HKAB CCCCCCn1c(N)c(C(=O)Nc2cccc(F)c2)c2nc3ccccc3nc21 2284210 NDMSMOMLQUCOOK-UHFFFAOYSA-N 405.477 5.138 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2cccc(C)c2)cc1 2377335 AJUFCTOSZDXBIZ-UHFFFAOYSA-N 414.505 5.240 0 40 HKAB Clc1ccc(/C=C2\CCCC3=C2N=C2N=CNN2[C@@H]3c2ccc(Cl)cc2)cc1 2587029 FOISYPNWBJFEEO-CZIOWHBQSA-N 409.320 5.774 0 40 HKAB CSc1ccc(Cl)c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 2655166 VCVGHFALFMFXKG-UHFFFAOYSA-N 424.978 6.899 0 40 HKAB Clc1ccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)c(Cl)c1 2732668 JXXIPSOHIBUCCM-UHFFFAOYSA-N 411.248 5.423 0 40 HKAB COc1ccc(-c2c/c(=N\c3ccc(OC)cc3OC)c3c(C)cc(C)cc3o2)cc1 2889887 SBFFWCGQIOPAAQ-HPNDGRJYSA-N 415.489 5.975 0 40 HKAB O=C(NCc1ccco1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 3033280 ZYAJGMBMVDCIAU-UHFFFAOYSA-N 405.457 5.487 0 40 HKAB CCC(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 3264394 LQGRVQLHMJRDIQ-UHFFFAOYSA-N 400.478 5.425 0 40 HKAB O=C(Nc1ccccc1Cc1ccccc1)c1cc(-c2ccco2)nc2ccccc12 3325844 NXOXPOJBIYDIIU-UHFFFAOYSA-N 404.469 6.338 0 40 HKAB COc1ccccc1[C@@]1(CCN(Cc2ccccc2)C(C)=O)CCO[C@H](C(C)C)C1 4043212 QBAQLXNSVGMBMM-UIOOFZCWSA-N 409.570 5.207 0 40 HKAB biogenic NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(-c2ccccc2)cc1 4177536 OXMQQDKRMHOSEM-LVWGJNHUSA-N 419.278 5.194 0 40 HKAB Cc1c(Cl)ccc2c(C(=O)N[C@@H](C)c3ccccc3)cc(-c3ccccc3)nc12 4553955 DBQBZEAFVMZBQP-KRWDZBQOSA-N 400.909 6.355 0 40 HKAB COc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)ccc1OCc1ccccc1 4557747 CYNFTKDCJLIHFL-QFIPXVFZSA-N 409.485 5.902 0 40 HKAB Cc1ccc(C2=NC3(CCCCCC3)N=C2SCC(=O)Nc2ccccc2)cc1 4891397 MMVFALKTHXQYHB-UHFFFAOYSA-N 405.567 5.619 0 40 HKAB Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)n(C2CCCC2)c1C 5090184 XDBXYTKVQJVROZ-IBGZPJMESA-N 419.594 6.401 0 40 HKAB O=Cc1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 5768521 XDPGYSDFFVPFBP-UHFFFAOYSA-N 404.485 5.257 0 40 HKAB CC(C)(C)[P@@](=Nc1cccc(C(F)(F)F)c1)(c1ccncc1)N1CCCCCC1 6022913 IFLZFXAGMGTYTK-GDLZYMKVSA-N 423.463 6.848 0 40 HKAB CCCC(=O)c1c(-c2ccc(C)cc2)c2c3n(c(-c4ccc(F)cc4)cn13)CCCC2 6263908 LEPRMISOEHCOPS-UHFFFAOYSA-N 414.524 6.841 0 40 HKAB Cc1ccc(C)c2sc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)nc12 6501755 KYNNKWNHXMNVEG-UHFFFAOYSA-N 407.347 6.687 0 40 HKAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccccc2)cc1 6610979 MPVYIPLDLHRYBK-UHFFFAOYSA-N 400.507 5.038 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 7073037 DWXWPRQOFWIBDV-QGZVFWFLSA-N 421.924 6.102 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1 7073079 SXNWYWDOAFSHQR-QGZVFWFLSA-N 400.478 6.026 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)ccc21 7504717 JOMFIKMCIALJKM-GOSISDBHSA-N 414.549 6.518 0 40 HKAB CC[C@@H](C)N(C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)[C@H](C)CC 8428324 HSXLKIJRHQSTCN-ZIAGYGMSSA-N 403.979 6.088 0 40 HKAB COc1ccc(-c2c(-c3ccc(OCc4cc(C)ccc4C)cc3O)n[nH]c2C)cc1 8743761 QAPJHBOGBOSKTE-UHFFFAOYSA-N 414.505 5.962 0 40 HKAB O=C(CSc1c(Cl)cccc1Cl)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12628925 SWRRVFFGYNUFSM-MRXNPFEDSA-N 406.338 5.326 0 40 HKAB Cc1ccc(C)c(NC(=S)Nc2nn(Cc3ccccc3Cl)cc2Cl)c1 13330829 OKOIBOUJCAHHST-UHFFFAOYSA-N 405.354 5.664 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(N2CCCCCC2)cc1 14066133 CDGKRCBGAHSTJP-UHFFFAOYSA-N 416.569 5.441 0 40 HKAB Nc1c(Cl)c(Cl)nc(C(=O)OCc2cc3ccccc3nc2Cl)c1Cl 14704510 SUZFAZMNDIDISS-UHFFFAOYSA-N 417.079 5.183 0 40 HKAB Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2cccs2)c(C)c1 15412846 GRJQRLYCPMJBKZ-HSZRJFAPSA-N 404.535 5.103 0 40 HKAB Nc1c(-c2ccccc2)c(Cc2ccccc2)nn1-c1ccc(Br)cc1 17087069 KCISHKMVAAWHFK-UHFFFAOYSA-N 404.311 5.475 0 40 HKAB C1=C([C@@H]2CCCc3cc4c([n+](-c5ccccc5)c32)[C@@H](C2=CCCCC2)CCC4)CCCC1 18069445 HAFKOYPGVUSKOM-ISILISOKSA-N 424.652 7.804 0 40 HKAB c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCN(Cc4cccnc4)C3)n2)cc1 19373149 LIZHTANQAKYFBC-QFIPXVFZSA-N 422.536 5.057 0 40 HKAB COc1ccc(CNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1OC 20455126 IFYAYYBBPGAUFC-HMMYKYKNSA-N 407.897 5.214 0 40 HKAB COc1ccccc1-c1c(C)oc2c3c(ccc2c1=O)OCN(Cc1cccs1)C3 20676157 GLZATFSIKBJUSM-UHFFFAOYSA-N 419.502 5.191 0 40 HKAB CCC(CC)C(=O)Nc1ccc2nc(SCCOc3ccc(C)cc3)sc2c1 20895112 PMYDVCAAIZECMK-UHFFFAOYSA-N 414.596 6.151 0 40 HKAB Cc1cc2oc(C(=O)N(Cc3ccco3)Cc3cccs3)cc(=O)c2cc1Cl 27792942 PUCMSDOYPMIDLC-UHFFFAOYSA-N 413.882 5.252 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@@H](C)c1ccc(Cl)cc1Cl 32800300 NTLJWIMIEKJEDP-QWRGUYRKSA-N 401.721 5.333 0 40 HKAB Cc1ccc(-c2c(Oc3ccc(Cl)cc3)c(=O)[nH]c3cc4c(cc23)OCCO4)cc1 35655350 XRJWMQVJOSCALD-UHFFFAOYSA-N 419.864 5.720 0 40 HKAB Cc1nn2c(ncc3c(=O)n([C@H]4CCCC[C@H]4C)ccc32)c1-c1ccc(Cl)cc1 40397625 MGXJNNLKEXNCTM-KUHUBIRLSA-N 406.917 5.424 0 40 HKAB COc1ccccc1CNC(=O)C[C@H](c1ccsc1)c1c[nH]c2cccc(OC)c12 95478307 VMNZKKHHWCNHDV-GOSISDBHSA-N 420.534 5.085 0 40 HKAB COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 108038469 SNSJQPFGCVUVRD-UHFFFAOYSA-N 404.510 5.250 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 139041179 JQMQKOQOLPGBBE-UYLGUXSUSA-N 402.663 6.648 0 40 HKAB CC[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(C)cc1C 219847228 RHKJPNRQGHKPPY-XMMPIXPASA-N 407.941 6.417 0 40 HKAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)cc1Cl 223936848 SIHPBRMDHIMIAP-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2C)cc1COc1ccccc1C(C)(C)C 224167631 UYEYYVQWLMSXJM-UHFFFAOYSA-N 403.522 6.132 0 40 HKAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccc(C(C)(C)C)cc1 224178423 ODTBPRKTTZSWJJ-UHFFFAOYSA-N 417.549 5.810 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 224209873 IQKLTWZPCSJBTH-BJKOFHAPSA-N 416.594 5.874 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccccc1OC 224575114 YFLNUOFMEGOICI-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB CCOCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCC 224696314 OQWSOGQYWMOYQD-UHFFFAOYSA-N 401.812 5.546 0 40 HKAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)/C(=C/c1ccccc1)c1ccccc1 225102861 DHPNSHWZTGECLC-HMMYKYKNSA-N 417.921 6.038 0 40 HKAB COc1ccc(NC(=S)NCCCSCc2cccc(C)c2)c2cccnc12 225605464 FCTZBPYIIADWFM-UHFFFAOYSA-N 411.596 5.162 0 40 HKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1ccc(Br)cc1 225828196 NQBGIMAGZGUQGD-UHFFFAOYSA-N 422.282 5.224 0 40 HKAB Nc1nnc(-c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)o1 226325709 ASELTFRGEFOGNE-UHFFFAOYSA-N 405.068 5.511 0 40 HKAB COc1ccc(-c2ccc(C(=O)n3c(C)c(C(=O)O)c4ccccc43)o2)cc1Cl 226765001 UBMXLNRDOQIHOK-UHFFFAOYSA-N 409.825 5.258 0 40 HKAB CCCOc1c(Cl)cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl 408559525 VSDAOOXBBJSKDS-GOSISDBHSA-N 416.757 6.214 0 40 HKAB Nc1cccc(C(=O)Nc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)c1 408674231 YOKZKJOMAYMZLP-UHFFFAOYSA-N 423.472 5.566 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3)cc2-c2cccc3ccccc23)cc1 408724909 MWHWVYQHDYJOPB-UHFFFAOYSA-N 403.485 6.253 0 40 HKAB Cc1sc2nc(-c3ccc(OCc4cccc5ccccc45)cc3)nc(O)c2c1C 408734731 IXINEQMHHJBNAL-UHFFFAOYSA-N 412.514 6.413 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H](C)SCc1ccccc1 408921693 VDUWTHFQQMKTHC-LJQANCHMSA-N 407.604 6.548 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CCCN1C(=O)OCc1ccccc1 408999879 SSVPWGIFRDBVLW-NRFANRHFSA-N 414.461 5.326 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2N=C3CC[C@H](C(C)(C)C)C[C@@H]3[C@]2(O)C(F)(F)F)cc1 409098050 IEXLYHXEQWAWHI-HOIFWPIMSA-N 424.507 5.509 0 40 HKAB CC(C)C(NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2)C(C)C 409177522 BOBZZDYJQLIVBS-ZVRCLDIHSA-N 416.609 6.394 0 40 HKAB Cc1cc2cc(CN(C(=S)Nc3ccccc3)C3CCCC3)c(=O)[nH]c2cc1C 878994 YLKSEIXJTFQYGB-UHFFFAOYSA-N 405.567 5.287 0 40 HKAB O=C(Nc1cc(Cl)ccc1OCC(F)(F)C(F)F)c1cccc2ccccc12 1030856 BJJSSALWGJIQGY-UHFFFAOYSA-N 411.782 6.025 0 40 HKAB O=C1N/C(=C/c2ccccc2Sc2ccccc2)C(=O)N1Cc1ccccc1F 1142127 DGBVTZDYNCHOAP-XSFVSMFZSA-N 404.466 5.070 0 40 HKAB Cc1ccc2nc(-c3ccccc3)nc(S[C@@H](C)C(=O)NCc3cccs3)c2c1 1326120 SXTKFDNRBXTOGR-INIZCTEOSA-N 419.575 5.464 0 40 HKAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccc(F)cc1)Cc1ccccc1Cl 1330131 BPJYJZROLVIBLV-UHFFFAOYSA-N 421.855 5.428 0 40 HKAB CCOc1ccc(NC(=S)N2CCS[C@H]2c2ccc(Br)cc2)cc1 1441157 AMLAVLSVYUJWCU-KRWDZBQOSA-N 423.401 5.292 0 40 HKAB CCCCC1CCC(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)CC1 1904586 JXZNMWYGFCNAQJ-UHFFFAOYSA-N 421.404 6.508 0 40 HKAB CCCCSc1nnc2c(n1)O[C@H](/C=C/c1ccc(OC)cc1)Nc1ccccc1-2 2083962 KERYUVDVTBCIQX-RDPWEWGOSA-N 420.538 5.283 0 40 HKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nc2sc3c(c2c1=O)CCC3 2183044 AGHGJCZISLNPFF-UHFFFAOYSA-N 411.379 5.566 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(C)c2C)cc1 2270654 WDDUUWSOHUFESJ-UHFFFAOYSA-N 418.522 5.099 0 40 HKAB CCN(CC)c1ccc(-c2nn3c(-c4ccc(C(C)(C)C)cc4)nnc3s2)cc1 2373854 ATUSSXDKJXNOKH-UHFFFAOYSA-N 405.571 5.664 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1 2436864 LVPGGBTWWSSFID-UHFFFAOYSA-N 418.497 5.113 0 40 HKAB O=C(Nc1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl 3116617 IOZOYFCVISSLRV-UHFFFAOYSA-N 422.764 7.191 0 40 HKAB O=P1(NCc2ccc(Cl)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3198601 NQYRESCDJIUBEG-UHFFFAOYSA-N 407.837 6.735 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1 3206637 LFBCBAWCEYIKGI-UHFFFAOYSA-N 404.897 6.698 0 40 HKAB CCOc1ccccc1NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 3215804 WKGMWALLUXDITG-UHFFFAOYSA-N 411.542 5.476 0 40 HKAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1c(F)cccc1Cl 3237561 LDDWYFYTLDPZLK-UHFFFAOYSA-N 413.857 5.465 0 40 HKAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1 3275241 VVZGMMAGFVEBFX-UHFFFAOYSA-N 403.563 5.327 0 40 HKAB CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 3358174 LUVRSHMOBQMOJM-SNVBAGLBSA-N 416.852 5.437 0 40 HKAB Cc1ccc(C)c(SCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 3359647 GRNQXJIFJKEPGW-UHFFFAOYSA-N 406.555 5.019 0 40 HKAB O=C(Nc1cccc2ccccc12)c1ccc(CSc2ccc(Cl)cc2)cc1 3661179 NPRZOLPSZRHCGV-UHFFFAOYSA-N 403.934 7.038 0 40 HKAB Fc1ccc(C2=NN(c3ccc(Br)cc3)[C@@H](c3cccs3)C2)cc1 4357039 QNJIPZAEDKVUMA-GOSISDBHSA-N 401.304 6.005 0 40 HKAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3cc(C)ccc3C)c2c1 4610376 JLKVAENZBCGNMN-UHFFFAOYSA-N 414.936 6.987 0 40 HKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@H]2c2cccc(O)c2)cc1 4928793 PUPHTMFZUPWQNE-HSZRJFAPSA-N 415.880 5.494 0 40 HKAB Clc1ccc(C2(c3ccc(Cl)cc3)c3ccccc3Nc3ccccc32)cc1 5280178 NEYPXYBEODEGGZ-UHFFFAOYSA-N 402.324 7.433 0 40 HKAB O=P(Oc1ccccc1)(Oc1ccccc1)[C@H](Nc1ccccc1)c1ccncc1 5939092 CVOHYHGGAFQJDU-DEOSSOPVSA-N 416.417 6.543 0 40 HKAB CCCCCOc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C(CC)CC)cc1 6066494 STBABXPUZBGARC-FQEVSTJZSA-N 417.575 5.531 0 40 HKAB O=C(Nc1ccc(Br)cc1Cl)C(c1ccccc1)c1ccccc1 6260115 HISHEBRERWHBQG-UHFFFAOYSA-N 400.703 5.873 0 40 HKAB CC1(C)[C@H]2CC[C@]1(C)[C@H](Sc1nc(-c3cccs3)cc(C(F)(F)F)n1)C2=O 6393480 COOAKWGUDOUYCP-WQFPPAFTSA-N 412.502 5.710 0 40 HKAB Cc1ccc(NC(=O)c2cc3cc(C45CC6CC(CC(C6)C4)C5)ccc3oc2=O)cc1 6779965 BAPQXUBYEHJRIO-UHFFFAOYSA-N 413.517 5.822 0 40 HKAB COc1ccc(CN(C)c2nc(-c3cccnc3)nc3sc(C)c(C)c23)cc1OC 6786995 XGFUUSURBVQETI-UHFFFAOYSA-N 420.538 5.024 0 40 HKAB COc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCc1ccc(F)cc1Cl 6857374 XPKGPFRYHBMYMQ-UHFFFAOYSA-N 407.957 6.371 0 40 HKAB CN(C)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 6948586 DSWMJUMTWFTEEW-RQZCQDPDSA-N 407.322 5.296 0 40 HKAB C[C@@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CCCc2ccccc21 7159289 OQDGBKNBONCJBG-CLOONOSVSA-N 413.517 5.022 0 40 HKAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2cc(Cl)c(OC)c(OC)c2)cc1 7779642 GVAIVQJOLSEWBJ-UHFFFAOYSA-N 424.928 5.157 0 40 HKAB CCOCCCNCc1cc(Cl)c(OCc2ccccc2Cl)c(OCC)c1 8253149 ZULOBRNXOUEWDZ-UHFFFAOYSA-N 412.357 5.487 0 40 HKAB CCOc1cc(CNCc2cccs2)cc(Cl)c1OCc1ccc(F)cc1 8254011 YLBFBEMHCYFXME-UHFFFAOYSA-N 405.922 5.808 0 40 HKAB COc1cc(CNCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 8471424 RVSCZOOMFKWEJN-UHFFFAOYSA-N 402.321 5.871 0 40 HKAB COc1ccc(CCNCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 8474347 BHRQMDPGVNSFBX-UHFFFAOYSA-N 416.348 5.913 0 40 HKAB Cc1c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)sc2nc(-c3ccccc3)cn12 8611054 BQMXSYOHQWZVFO-UHFFFAOYSA-N 419.403 5.781 0 40 HKAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1C(=O)c1ccc2c(c1)CCC2 8873152 GCVRLLYSCPAVOO-UHFFFAOYSA-N 423.434 5.355 0 40 HKAB CCn1c(CSc2nccc(C)n2)nc2cc(NC(=O)c3ccc(C)cc3)ccc21 8992864 BLZNMRUVVSIVKE-UHFFFAOYSA-N 417.538 5.008 0 40 HKAB O=C(c1ccc(COc2ccccc2)o1)N1CCc2sccc2[C@H]1c1cccs1 9048040 BINLZCBLCNYYMV-QFIPXVFZSA-N 421.543 5.770 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)s1 9062168 VYISOPDWBPMUHZ-UHFFFAOYSA-N 420.519 5.080 0 40 HKAB Cc1ccc(C(=O)Nc2nnc(SCc3ccc(C(F)(F)F)cc3)s2)cc1C 9366656 SSIOKIJTTRBEMP-UHFFFAOYSA-N 423.485 5.718 0 40 HKAB COc1ccccc1C(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1cccc(C)c1 9464158 NPTFAMOITHMTCL-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB C[C@H](SCCCOc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl 9883790 JMEICHYCVUGTPA-LBPRGKRZSA-N 418.773 6.176 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)Nc1nc2c(s1)CCc1ccccc1-2 9910379 SFZNRFCARVPZFL-UHFFFAOYSA-N 414.983 6.073 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@@H]3c2ccco2)cc1 10215753 MLMJVMYSDILOHF-GBXCKJPGSA-N 404.466 5.319 0 40 HKAB Cc1c(C(=O)Nc2nc3ccc(F)cc3s2)sc2nc(-c3ccccc3)cn12 12289145 MZDPEVDWRQIIKU-UHFFFAOYSA-N 408.483 5.372 0 40 HKAB Cc1cc(F)ccc1NC(=O)c1noc(C)c1COc1cccc(C(F)(F)F)c1 13640938 RSSKHVWGZNRKCM-UHFFFAOYSA-N 408.351 5.281 0 40 HKAB O=C(Cc1cccc2ccccc12)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 13694972 OJFOLUDEVRDGNW-UHFFFAOYSA-N 412.514 5.285 0 40 HKAB Brc1ccc(-c2ccc(CNCc3ccco3)o2)c(Br)c1 13730748 AWLDUQVELOQRJS-UHFFFAOYSA-N 411.093 5.354 0 40 HKAB COc1cccc(Cn2nc(-c3cccc(OC)c3)cc2-c2cccc(OC)c2)c1 17081899 DKBKFIJRSNGDDW-UHFFFAOYSA-N 400.478 5.291 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 20158389 IDFKVCLJIUKQOX-UHFFFAOYSA-N 402.519 6.219 0 40 HKAB CCc1ccc(Nc2nc(Nc3ccc(C)c(Cl)c3)nc(N3CCCC3)n2)cc1 27643161 SFCUGMBSHGVCMM-UHFFFAOYSA-N 408.937 5.483 0 40 HKAB Cc1cc2c(=O)cc(C(=O)N(Cc3ccco3)Cc3cccs3)oc2cc1Cl 27757657 HLEMMMAEQWEXJT-UHFFFAOYSA-N 413.882 5.252 0 40 HKAB Cc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2ccc(C)c(C)c2)cc1 27795428 DLXYOOZFIQSVAA-HHHXNRCGSA-N 412.533 5.720 0 40 HKAB O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)c1cc(Cl)c2c(c1)OCO2 27815698 BGXAKFZMWKBSEJ-INIZCTEOSA-N 424.909 5.173 0 40 HKAB COc1ccc(CN(C(=O)c2oc3cc(C)ccc3c2C)c2ccccn2)cc1OC 28287851 PVRZDTWDOBPXHS-UHFFFAOYSA-N 416.477 5.309 0 40 HKAB Cc1ccc([C@H](NC(=O)CC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 30854173 NISLETPFDBHVKD-GDLZYMKVSA-N 405.541 6.423 0 40 HKAB Fc1ccc(-c2nnc(CSCc3coc(-c4ccc(Cl)cc4)n3)o2)cc1 31423966 RTEQAHXKOSQIDH-UHFFFAOYSA-N 401.850 5.618 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cc(F)ccc4F)cc3)n2)cc1 32578465 VDMDPWFQOPLYLT-UHFFFAOYSA-N 421.403 5.008 0 40 HKAB CC1CCN(C(=S)c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)CC1 33732848 UJDGQISDRPYQBF-UHFFFAOYSA-N 412.357 6.119 0 40 HKAB CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1 35040538 SDRTUXRHQLYVQN-LZYBPNLTSA-N 408.331 5.602 0 40 HKAB COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1Br 38148304 SXCHRKFRXHEZGS-UHFFFAOYSA-N 405.295 6.182 0 40 HKAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 38334057 NMYROXPSKHHTLY-KDNGKOOYSA-N 402.575 5.306 0 40 HKAB COCCN(Cc1ccsc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 42382237 NECRWWUSDWDICM-UHFFFAOYSA-N 411.367 5.075 0 40 HKAB CCOC(=O)CSc1ncc(-c2ccc(C)cc2)n1-c1cccc(C(F)(F)F)c1 44087773 GVGFKACJYWCKJP-UHFFFAOYSA-N 420.456 5.522 0 40 HKAB Cc1ccccc1[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1 44842937 QDDIZEQXJZAAOU-MHZLTWQESA-N 423.581 6.807 0 40 HKAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(N4C[C@@H](C)C[C@H](C)C4)cc3)cc2c1 57718407 CXUUXRNIKSHXFZ-ROUUACIJSA-N 405.542 5.021 0 40 HKAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@@H](c3ccccc3Cl)N1CC2 57731788 AUPYCRWVGHSIEF-BJKOFHAPSA-N 406.913 5.429 0 40 HKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 68568900 CKGXQXQXIGPTGU-CCIZDSAFSA-N 412.746 9.300 0 40 HKAB O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC(Nc2ccc(F)cc2)CC1 71826913 QTRICHVOUQLTQM-UHFFFAOYSA-N 410.464 5.261 0 40 HKAB O=c1oc2ccccc2n1CCNc1ccccc1Oc1ncc(Cl)cc1Cl 71983168 ILLHEBXAPKZQMN-UHFFFAOYSA-N 416.264 5.201 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2SC2CCCCC2)cc1 72217311 NJKMOZQGYREWRH-NRFANRHFSA-N 416.612 5.341 0 40 HKAB COc1ccc(-c2sc(-c3ccc(Br)cc3)c(C)c2C)cc1OC 90526858 VGZLVKAKENQGBS-UHFFFAOYSA-N 403.341 6.479 0 40 HKAB COc1ccccc1[C@]1(CCN(C(C)=O)[C@H](C)c2ccccc2)CCO[C@H](C(C)C)C1 102813124 BLORJSGUUHAICH-COFKYPDJSA-N 423.597 5.768 0 40 HKAB biogenic Clc1cccc(COc2ccc(CNc3ccc(Br)cc3)cc2)c1 106977044 QCFGHTXCVFWUDJ-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 118926738 KNPATZSHRPGJID-OPWYDLDLSA-N 402.575 5.449 0 40 HKAB Cc1ccc(CCCNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 218883659 QFFZNWKXHWQHFM-UHFFFAOYSA-N 418.375 5.183 0 40 HKAB CC(C)n1c(Cl)nc2cc(C(=O)N(Cc3cccn3C)C3CCCCC3)ccc21 222555421 FYBPPYDWWSDAQR-UHFFFAOYSA-N 412.965 5.584 0 40 HKAB O=C(CCc1cccc2ccccc12)Nc1ccccc1C(=O)NCCc1ccccc1 222665564 QDJBRZFWVRKAHH-UHFFFAOYSA-N 422.528 5.384 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1 223075544 MFBYRFMJOWCEIX-UHFFFAOYSA-N 418.924 5.802 0 40 HKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccco1)c1ccccc1 223414614 OZKIWQMMYDEADE-HSZRJFAPSA-N 424.928 5.119 0 40 HKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1 224374458 ZWEXSDYJBTUKNA-DHIUTWEWSA-N 404.583 5.765 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccc(C)c(C)c1 224622778 BXTIPTMKKGSPSF-UHFFFAOYSA-N 419.521 5.850 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCC)c(C(=O)OC)c1 225847817 QBCSNTGFRJMTPW-HSZRJFAPSA-N 407.551 5.356 0 40 HKAB OC1=C[C@]2(CCC1)Oc1ccc(Br)cc1[C@H]1CC(c3cccs3)=NN12 227054509 JQRLXQZOWNBHDG-APWZRJJASA-N 417.328 5.376 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4cccc(C)c4C)ccc3o2)c1 408621932 MUNKJKHHNAPSGG-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cccnc1 408627615 MLIKVMZCERTBBN-UHFFFAOYSA-N 400.290 5.917 0 40 HKAB Oc1nc(-c2ccccc2OCc2ccccc2)nc2sc3c(c12)CCCCC3 408988546 IIKUSMJXCFFBAT-UHFFFAOYSA-N 402.519 5.912 0 40 HKAB CCCCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(OCC)cc1 409113585 HQJSSVNXOVUKIH-UHFFFAOYSA-N 416.612 5.999 0 40 HKAB CC(C)Cn1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 409125735 KAOXJHPUZXMXJJ-JMIUGGIZSA-N 410.926 6.192 0 40 HKAB O=C1Nc2ccccc2/C1=C/c1cc(Br)ccc1OCc1ccccc1 409137005 VZDCYNUJRXQNFD-UYRXBGFRSA-N 406.279 5.521 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@@H](c2ccccc2)N3)c1 409147290 VMYLHZGQIIGMEZ-VAOGHPRRSA-N 422.572 6.852 0 40 HKAB Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(-c2nc3cccnc3s2)cc1 585151845 WZMZDVYEDCZNFI-UHFFFAOYSA-N 415.927 5.121 0 40 HKAB CC(C)(CNc1nc(C(F)(F)F)nc2cc(F)ccc12)N1CCc2ccccc2C1 1615566483 AJAGMGNFWCKWBA-UHFFFAOYSA-N 418.438 5.037 0 40 HKAB CSc1ccccc1NC(=O)N1CCC[C@@]2(CCCN(Cc3cccc(C)n3)C2)C1 2056224378 HUZCWYUOLSMTSI-XMMPIXPASA-N 424.614 5.022 0 40 HKAB Cc1nn(C(=O)c2ccccc2Br)c(C)c1Sc1ccc(Cl)cc1 834967 FGWZJOAFHBKHDC-UHFFFAOYSA-N 421.747 5.756 0 40 HKAB Cc1cccc(C)c1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 919398 XXPGPINSPMUFBX-CJNGLKHVSA-N 404.392 5.006 0 40 HKAB Cc1ccc2c(c1)Oc1nc3ccccc3nc1N2S(=O)(=O)c1ccc(Cl)cc1 984212 QLFFFWIGVNXFTQ-UHFFFAOYSA-N 423.881 5.224 0 40 HKAB Cc1c(Br)cc(C(=O)CSc2ccccc2)c(O)c1Br 1102004 MIAJCYCCYMIXIA-UHFFFAOYSA-N 416.134 5.201 0 40 HKAB O=C(Nc1ccc(F)cc1F)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 1392017 RUSCLUWCOBYKFF-UHFFFAOYSA-N 401.722 5.075 0 40 HKAB Cc1ccc(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 1766436 HDSAWIHTTHYDSR-UHFFFAOYSA-N 404.897 5.494 0 40 HKAB Cc1ccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 2055550 DKTDMFXBTYVRED-UHFFFAOYSA-N 415.496 6.525 0 40 HKAB O=C(NCc1ccccc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1 2179182 UAFRIXJOYUWMAY-UHFFFAOYSA-N 402.346 6.216 0 40 HKAB CC1=CC(C)(C)N2C(=O)C(=O)c3cc(OC(=O)c4ccc(-c5ccccc5)cc4)cc1c32 2224744 KGDOIGRHMXXQFG-UHFFFAOYSA-N 423.468 5.298 0 40 HKAB Clc1ccccc1-c1nc(Oc2ccc(-c3ccccc3)cc2)c2ccccc2n1 2267343 HPFSCOVYXFSHRV-UHFFFAOYSA-N 408.888 7.410 0 40 HKAB Nc1c(C(=O)NCCc2ccccc2Cl)sc2nc(-c3cccs3)ccc12 2315992 HJHDGWSRJUOIQK-UHFFFAOYSA-N 413.955 5.233 0 40 HKAB Cc1cccc2c1N(C(=O)/C=C/c1ccccc1)C(C)(C)c1ssc(=S)c1-2 2334194 CGTZYQXIRZQGOG-OUKQBFOZSA-N 409.601 6.810 0 40 HKAB Cc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccccc12)Cc1cccnc1 2722320 SCEGTGLKTZIFJY-UHFFFAOYSA-N 414.578 5.621 0 40 HKAB Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2OCc2ccccc2)c1 2745344 KKXFSYJBXPBZAZ-HHHXNRCGSA-N 420.512 6.345 0 40 HKAB CCOC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)s1 3232068 DDYGFRWJFPEOBF-UHFFFAOYSA-N 402.299 5.029 0 40 HKAB Cc1cc(C)cc(-n2sc3c(c2=S)-c2cc(C)cc4c2N(C(=O)C4=O)C3(C)C)c1 3615963 LAFKRTWRAXCKKX-UHFFFAOYSA-N 420.559 5.639 0 40 HKAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccccc2)cs1 3766625 DHYMZLRDBPNIMF-UHFFFAOYSA-N 405.832 6.335 0 40 HKAB O=c1c2ccccc2nc(SCc2ccccc2F)n1Cc1ccc(Cl)cc1 4412289 IRAQQWUVUPCJSM-UHFFFAOYSA-N 410.901 5.530 0 40 HKAB CCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cc(C)cc23)cc1 4610488 PCAMHVZEATTZQI-UHFFFAOYSA-N 414.936 6.987 0 40 HKAB Cc1ccccc1-c1nc2ccc(-c3ccc4nc(-c5ccccc5C)[nH]c4c3)cc2[nH]1 4679327 ORWFEYYEKLJHDR-UHFFFAOYSA-N 414.512 7.057 0 40 HKAB CSc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 4715887 AUGWBHHCYWRYCK-SIKLNZKXSA-N 410.926 6.206 0 40 HKAB CN(C)Cc1c(C(O)(c2ccccc2)c2ccccc2)cc2ccccc2c1Cl 4934639 YFIFXXLIPHBBHI-UHFFFAOYSA-N 401.937 5.839 0 40 HKAB CN(C)c1ccc([P@](=O)(OCc2ccccc2)[C@@H](O)c2ccc(Cl)cc2)cc1 5026087 LZEPACNQJUHNGU-DFHRPNOPSA-N 415.857 5.217 0 40 HKAB CCOC(=O)c1sc2cccc(F)c2c1CSc1nc2ccc(OC)cc2[nH]1 5185408 OOLFMMXCDVGKLO-UHFFFAOYSA-N 416.499 5.394 0 40 HKAB COc1ccc(-c2nc(Nc3ccc4ccccc4c3)sc2-c2ccccc2)cc1 5335448 IDVWASPSPRTLLW-UHFFFAOYSA-N 408.526 7.383 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OC 6138754 LUNVCVCQWFZBJM-UHFFFAOYSA-N 412.711 5.461 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 6764089 CJXLAZCJVZXDAK-PMAPCBKXSA-N 423.553 5.274 0 40 HKAB CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc12 6961873 RIGXTAKSZQXERE-VBKFSLOCSA-N 410.395 5.803 0 40 HKAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)c(C)c1 7160889 QYXFOAUQRJLFMC-CQSZACIVSA-N 419.472 5.693 0 40 HKAB CCOc1cc(CNC2CCCC2)cc(Br)c1OCc1ccc(F)cc1 8253971 OSRVTQMRZVDAKM-UHFFFAOYSA-N 422.338 5.598 0 40 HKAB CC(C)c1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c2cnn(C(C)C)c2n1 8279483 OKKCXOCXHDSMJT-HNNXBMFYSA-N 421.570 5.579 0 40 HKAB Cc1cc(OC(=O)c2sc3ccccc3c2Cl)c(C(C)C)cc1Br 8873650 MAKZSIXPJFNFLN-UHFFFAOYSA-N 423.759 6.968 0 40 HKAB C[C@H]1CCc2sc(-c3nnc(SCc4nc(-c5cccs5)no4)o3)cc2C1 9056451 DARYDXAWAPUJLO-JTQLQIEISA-N 416.553 5.327 0 40 HKAB Cc1ccc(Cn2nccc2NC(=O)c2cccnc2Sc2ccccc2Cl)o1 9223926 RNFHLLGGWUSESB-UHFFFAOYSA-N 424.913 5.285 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)N1CC[C@@H]2CCCC[C@H]2C1 9365890 ZLCYZFXYVQRIGQ-ICSRJNTNSA-N 417.578 5.428 0 40 HKAB Cc1ccc(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1Cl 9871193 CXAUHBLLTYJKEI-HNNXBMFYSA-N 414.836 5.109 0 40 HKAB COc1ccc2cc(COC(=O)CCc3nc4ccccc4s3)c(Cl)nc2c1 10360257 NHUICSKDWIUJGG-UHFFFAOYSA-N 412.898 5.183 0 40 HKAB C/C=C/c1cc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc(OC)c1OC 11075842 CUVUEVGRBVDPSC-QPJJXVBHSA-N 402.494 5.148 0 40 HKAB Cc1ccc(Cc2cnc(NC(=O)c3cc(=O)c4cc(C)cc(C)c4o3)s2)cc1 11689976 QLIWUBOJIXHQAA-UHFFFAOYSA-N 404.491 5.018 0 40 HKAB COC(=O)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)o4)=NN23)cc1 12194849 QFCPMCXYUSSNEN-KNQAVFIVSA-N 422.868 5.270 0 40 HKAB C[C@H](c1ccccc1)n1c(SCC(=O)c2ccccn2)nc2cc(Cl)ccc21 12401954 KWRROBQKFURBFE-OAHLLOKOSA-N 407.926 5.669 0 40 HKAB COC(=O)/C(=C(/F)Sc1ccc(OC(=O)c2ccccc2)cc1C)C(F)(F)F 12445973 DVPPRUYHTYYJMH-FOCLMDBBSA-N 414.376 5.223 0 40 HKAB COc1ccc(CCC(=O)Nc2cccc(Cl)c2Cl)cc1Br 12932730 HBEBZIYJUDXHEZ-UHFFFAOYSA-N 403.103 5.336 0 40 HKAB C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)c1cccc(Cl)c1 13112220 ABGJMRIOEYKMHC-QMMMGPOBSA-N 420.243 5.418 0 40 HKAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1ncc(Cl)c(Cl)c1Cl 14635646 IPUFKAUDJQEINZ-OAHLLOKOSA-N 415.704 5.762 0 40 HKAB CC(C)=CCc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(CC=C(C)C)c1O 14780845 DOFKPAVSYGZVQD-UHFFFAOYSA-N 406.478 5.594 0 40 HKAB endogenous,in-man COc1ccc(-n2c(COc3cccc4c3OC(C)(C)C4)nc3ccccc32)cc1 15913252 NPHLBYYSPQJWCS-UHFFFAOYSA-N 400.478 5.327 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OS(=O)(=O)c3c(C)c(C)cc(C)c3C)c2n1 16035419 UHYCYRAXVKVXIB-UHFFFAOYSA-N 424.349 5.851 0 40 HKAB c1ccc(C2=NO[C@]3(OC(c4ccccc4)(c4ccccc4)c4ccccc43)S2)cc1 16478088 FDXLYWZEOSFYHZ-MHZLTWQESA-N 421.521 6.244 0 40 HKAB FC(F)(F)c1ccc2c(c1)N(C(=S)Nc1ccccc1)c1ccccc1S2 16489842 GRWPDLRDLGMUIR-UHFFFAOYSA-N 402.466 6.705 0 40 HKAB CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Br)cc1C 16780621 BLNMEKOZVZBGLA-UHFFFAOYSA-N 412.349 5.080 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cccc4C)nccn3n2)cc1 17051531 IUOAENSDKADXTK-UHFFFAOYSA-N 402.523 5.052 0 40 HKAB Cc1cccc(-c2nn(Cn3nc(C)c(Cl)c3C)c(-c3cccc(C)c3)c2C)c1 17083092 BDNNHUKEPBJEDF-UHFFFAOYSA-N 404.945 6.115 0 40 HKAB O=C(Nc1ccccc1N1CCCCC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 17090230 IMLRAMBKCXCEBI-UHFFFAOYSA-N 415.320 6.496 0 40 HKAB Cc1nc(NC(=O)c2cccc3c(Br)cccc23)ccc1Br 17092071 GSLGJDGDDYFSEG-UHFFFAOYSA-N 420.104 5.321 0 40 HKAB CC(=O)OCc1ccc(CN2CCCCC[C@H]2c2cc(-c3cccs3)on2)o1 19023036 LCSBEJMZLSCFTB-IBGZPJMESA-N 400.500 5.177 0 40 HKAB Cc1cc(C)c2oc(-c3cc(Br)c(O)c(Br)c3)cc(=O)c2c1 19688952 CUUSEXUAXBVMGW-UHFFFAOYSA-N 424.088 5.307 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccccc1Cl 20106588 OEYAXRPGTHFMMC-QFIPXVFZSA-N 413.970 5.700 0 40 HKAB Cc1cc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)ccc1-c1ccc(CO)o1 20145402 OZUIOLDGHQKGCV-UKTHLTGXSA-N 417.436 5.798 0 40 HKAB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc(C(=O)O)cc1 20150933 KUQSQNGLOFROQG-PKNBQFBNSA-N 402.233 5.604 0 40 HKAB CCOc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1 21005522 YRCADNJJDUAPBV-XMMPIXPASA-N 424.504 5.363 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3o2)c1 21579070 IZYWPZFJPYTJLC-UHFFFAOYSA-N 413.260 6.063 0 40 HKAB Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)oc2ccccc12 27664670 ICLWYTJGSATPSS-NRFANRHFSA-N 410.945 5.742 0 40 HKAB CC(=O)c1sc(NC(=O)c2nc(-c3ccco3)sc2C)nc1-c1ccccc1 29279664 UIMAKZFFMBUGSR-UHFFFAOYSA-N 409.492 5.290 0 40 HKAB c1ccc(CN[C@@H]2C(c3ccccc3)=NN(c3ccccc3)[C@H]2c2ccccc2)cc1 31638234 UQNIZCLCTUZFFG-IZLXSDGUSA-N 403.529 5.811 0 40 HKAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1cnc2ccccc2c1C(F)(F)F 32902064 CEHKFVAYBVWAGU-VAWYXSNFSA-N 419.406 6.071 0 40 HKAB CC(C)(C)c1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)cc1 33012220 FGTIWPCTQLENIQ-UHFFFAOYSA-N 423.582 5.102 0 40 HKAB CC(C)c1ccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 38833704 YIHGSEHBOSFOJO-KRWDZBQOSA-N 405.369 5.968 0 40 HKAB CCOc1ccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 38834345 OFCFEDVNPXKODA-HNNXBMFYSA-N 407.341 5.243 0 40 HKAB CC(C)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38856723 MGCUHGCLTWMPRE-UHFFFAOYSA-N 405.369 5.968 0 40 HKAB Cc1nc2cc(F)ccc2cc1C(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 40020206 YMUHWGAQHSYJCJ-KRWDZBQOSA-N 421.497 5.118 0 40 HKAB C[C@@H](OC(=O)c1cc(-c2ccccc2Cl)on1)c1nc2ccccc2n1C(F)F 40086811 AZBWHPFQYVEEBY-LLVKDONJSA-N 417.799 5.658 0 40 HKAB CCOCCCn1c(SCc2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 67259185 CFAXBRRHCCBDFE-UHFFFAOYSA-N 422.472 5.134 0 40 HKAB O=S(=O)(c1cc(F)cc(F)c1)c1cnc2c(F)cccc2c1-c1cccc(F)c1 71328631 JBXUQBBBQMQZSN-UHFFFAOYSA-N 417.383 5.291 0 40 HKAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72214865 TWAQXAXUXPUTMD-FQEVSTJZSA-N 409.530 5.209 0 40 HKAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc(Cc3cccc(F)c3)n2)cc1 72357896 ALXUXUIWGCPNOE-RUZDIDTESA-N 418.512 5.116 0 40 HKAB C[C@H](NC(=O)CCC(=O)Nc1ccccc1CN(C)C1CCCCC1)c1ccccc1 89905563 SVJDLEXKCPXNRJ-FQEVSTJZSA-N 421.585 5.047 0 40 HKAB O=C(NCC12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)c1ccc(Cl)cc1Cl 100871911 ACCJMIHGBBELMP-WADIDORASA-N 414.376 6.261 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219340848 LUZXSZNJCFGVCM-NHCUHLMSSA-N 407.510 5.282 0 40 HKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 222865179 QLHMLBWXKJUWAU-UXHICEINSA-N 414.937 5.047 0 40 HKAB O=C(NCc1ccc(Cl)cc1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224924682 HTEFUYZRISTNID-UHFFFAOYSA-N 406.844 5.731 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1c(Cl)cccc1Cl 225361314 ZMJBQPZCFLZSGF-GOSISDBHSA-N 408.325 5.353 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc(C)c1Cl 225630480 PVMFZMBFNWQPQM-LBPRGKRZSA-N 422.337 5.535 0 40 HKAB C[C@H](NC(=S)Nc1nc(Oc2ccccc2)cc(C(F)(F)F)n1)c1ccccc1 225963749 LTHCWJOBBQHSQS-ZDUSSCGKSA-N 418.444 5.335 0 40 HKAB COc1ccccc1-c1cccc(CC2(C(=O)NC3CCCCC3)CCOCC2)c1 257234477 GTQYUNHFJHOKCI-UHFFFAOYSA-N 407.554 5.150 0 40 HKAB COc1ccc(/C=C2\C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1 257345108 MDGYGSZQYJUTBN-XMDGHXCNSA-N 408.582 5.373 0 40 HKAB CCOc1ccc(Br)cc1CNc1ccc(Br)c(Cl)c1 408554961 FHGIRSCSDKXGOO-UHFFFAOYSA-N 419.544 5.876 0 40 HKAB Fc1ccc(COc2ccc(C(=S)N3CCC(Cc4ccccc4)CC3)cc2)cc1 408576095 PRZGFFWPFVLJTQ-UHFFFAOYSA-N 419.565 6.035 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2cccc(Cl)c2)c1 408699330 WJDRRAUJTRQQOK-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(Cl)cc2)C1=O 408800091 KJNSRCQVHRGALU-AWKYKOFISA-N 411.978 6.394 0 40 HKAB COc1ccc2c(Cl)c(C3=N/C(=C\c4ccc(C)cc4)C(=O)O3)sc2c1Cl 408968857 CCFFASHOXMITGH-LCYFTJDESA-N 418.301 5.870 0 40 HKAB Cc1ccc(COc2ccccc2/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1 409032586 CNHNXHTWENVGQL-JWGURIENSA-N 414.530 5.178 0 40 HKAB COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccccc1F 409102720 ZMBOPRRJCUJXMS-XKZIYDEJSA-N 407.466 5.499 0 40 HKAB NC(=O)/C=C\c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 409416153 XLJNDCBCRAXUAF-HJWRWDBZSA-N 416.702 5.333 0 40 HKAB C[C@H](C(=O)N[C@H]1CCCc2c1[nH]c1ccccc21)c1ccc(C[C@@H]2CCCC2=O)cc1 524733480 MUHMOWOVWOIGPR-REIDKSKDSA-N 414.549 5.377 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2[C@@H](C)Cc2ccc3c(c2)OCO3)cc1 643450 FCEQAOWLJKMYGC-BXKMTCNYSA-N 400.478 5.001 0 40 HKAB aggregator Cc1cccc(NC(=S)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCC2)c1 884932 RRSSMBDJPXZQTP-UHFFFAOYSA-N 405.567 5.287 0 40 HKAB Cc1cccc(Oc2coc3cc(O[C@H](C)C(=O)OC4CCCCC4)ccc3c2=O)c1 1770001 PZHCDJCTEUKTKI-QGZVFWFLSA-N 422.477 5.537 0 40 HKAB biogenic CCCCCCSc1nnc2c(n1)O[C@H](c1ccc(F)cc1)Nc1ccccc1-2 2073631 LWCMIDRNQCCTND-HXUWFJFHSA-N 410.518 5.853 0 40 HKAB Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc3c(c(-c4ccco4)c12)CCCC3 2195816 AQGQACWQWZYVST-UHFFFAOYSA-N 407.470 5.409 0 40 HKAB Cc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2cccc(Cl)c2)cc1 2204433 PKBVAMNVBGSNQK-UHFFFAOYSA-N 409.917 6.328 0 40 HKAB Cc1ccc(-c2nc3c(Br)c(N)c(Br)cc3o2)cc1Cl 2233545 PGXKTMNQFHGYQD-UHFFFAOYSA-N 416.500 5.564 0 40 HKAB Cc1c(C(=O)O)cc(-c2ccccc2)n1CCSCc1c(Cl)cccc1Cl 2380630 XSUIIOWGOVWMOB-UHFFFAOYSA-N 420.361 6.402 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4[C@@H](O)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 3054676 CZDKQKOAHAICSF-MVEGYKKHSA-N 402.663 6.360 0 40 HKAB O=C(C[C@@H](Nc1ccccc1)c1ccccc1)C[C@@H](Nc1ccccc1)c1ccccc1 3057145 MBOMYSAVROKLDC-FQLXRVMXSA-N 420.556 7.043 0 40 HKAB COc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)oc1ccccc12 3329032 HAKVUBQFMISKPF-UHFFFAOYSA-N 422.289 5.702 0 40 HKAB C[C@@H]1C[C@H](N(Nc2ccccc2)c2ccccc2)N(c2ccccc2)N1c1ccccc1 4018046 HJMYOEFFGHWXHF-QDPGVEIFSA-N 420.560 6.567 0 40 HKAB Clc1ccc(-c2ccc(/C=N/N(c3ccccc3)c3ccccc3)o2)c(Cl)c1 4462580 ORRLHWHYPTWYHN-WGOQTCKBSA-N 407.300 7.426 0 40 HKAB CSc1ccccc1C(=O)N(CCN(C)C)c1nc2c(C)ccc(Cl)c2s1 5242694 HHMJXDJORANRSE-UHFFFAOYSA-N 420.003 5.188 0 40 HKAB Cc1ccc(NC(=O)[C@H](OC(=O)c2cccnc2Cl)c2ccccc2)cc1Cl 6064326 YRCOGNKVQXBQCO-GOSISDBHSA-N 415.276 5.234 0 40 HKAB Cc1ccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3n2Cc2ccccc2)cc1 6315103 CJHPREKDPJBLII-UHFFFAOYSA-N 421.504 5.139 0 40 HKAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)c3ccccc3OC)nc2c1 6320151 BPANZKJWPGZLLT-UHFFFAOYSA-N 415.514 5.894 0 40 HKAB COc1cc2c(cc1NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C)oc1ccccc12 6394311 WUDWRBSJQWVSSC-QHCPKHFHSA-N 407.897 6.626 0 40 HKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)/C=C/c2ccc(Cl)cc2)cc1 6630379 OBRYAVNIUZHJFP-VGOFMYFVSA-N 420.896 5.158 0 40 HKAB COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)c1 6642256 NGTYIDRNJTUKEY-OMZFVACUSA-N 407.554 5.085 0 40 HKAB biogenic CN(C)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 6948581 OZCNROZUYMNHJA-LICLKQGHSA-N 407.322 5.296 0 40 HKAB O=C(c1ccccc1SCc1ccccc1)N1CCN(c2ccccc2F)CC1 7367065 NRQPAOJYNMKPRC-UHFFFAOYSA-N 406.526 5.080 0 40 HKAB C[C@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)C12CC3CC(CC(C3)C1)C2 7780465 HJGCCKVKJJEXBV-MHUCKUPZSA-N 416.732 5.373 0 40 HKAB FC(F)(F)c1cccc(CSc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c1 8781903 ZMRXEPQNUNSIMR-UHFFFAOYSA-N 415.362 5.869 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 8903030 FNKKMCVJCDEKRA-UHFFFAOYSA-N 414.505 6.198 0 40 HKAB Cc1cc(NC(=O)c2ccccc2SCc2ccccc2)ccc1Br 10327903 NUHZNENEFUSZOG-UHFFFAOYSA-N 412.352 6.302 0 40 HKAB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1Br 10542712 ASWOEDATXJXTRO-UHFFFAOYSA-N 414.274 5.097 0 40 HKAB CCCCCC[C@H](C(=O)O)n1ccc2cc(-c3ccccc3-c3nn[nH]n3)ccc21 11689197 FCWWQZQDBUMEJF-OAQYLSRUSA-N 403.486 5.085 0 40 HKAB investigational CCOc1ccc(N(Cc2ccccc2)C(=O)c2cc(-c3ccc(C)cc3)on2)cc1 11916475 JNDZAKSCUWCPGW-UHFFFAOYSA-N 412.489 5.896 0 40 HKAB CC(C)Oc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 12192821 YNHUCASOFNSWMO-ILBGXUMGSA-N 418.924 6.370 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccccc1NS(=O)(=O)c1ccccc1Cl 12685550 IQFUUURBNKRQAA-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)Nc4ccc5[nH]ccc5c4)c(C)c3cc12 12896277 CFBKLMYHNVRUAD-UHFFFAOYSA-N 414.461 5.517 0 40 HKAB biogenic C[C@@H](CCc1ccccc1)NC(=O)CCCCCNc1nc(=S)[nH]c2ccccc12 13496850 FTXWQZRJVVMNOE-SFHVURJKSA-N 422.598 5.402 0 40 HKAB Cc1ccc(COc2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2)cc1 13547797 BFJLZRGSMVRSDP-UHFFFAOYSA-N 416.590 5.067 0 40 HKAB CCCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(F)(F)F)c1 14835464 HWXHIQBVHSXYFU-UHFFFAOYSA-N 416.237 5.899 0 40 HKAB Cc1ccc2nc(-c3ccc(CNC(=O)c4cccc(OC(C)C)c4)cc3)oc2c1 16348655 VEGPJIAJLJGYNQ-UHFFFAOYSA-N 400.478 5.520 0 40 HKAB CCCC(=O)Nc1nc2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2s1 17093730 CDGBIZMVWNDEQK-UHFFFAOYSA-N 423.925 6.094 0 40 HKAB CC(C)(C)CC(=O)N[C@@H](C[C@H]1CCCCN1CCc1ccccc1)c1ccccn1 19082738 UEFCZRUOQRMROD-VWNXMTODSA-N 407.602 5.162 0 40 HKAB Cc1cc(OCCNc2cccc(OCCOc3ccccc3)c2)cc(C)c1Cl 19738398 BNJLDFATUWUEMA-UHFFFAOYSA-N 411.929 5.906 0 40 HKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(I)cc1C 20041625 ZIDLCMFLUMLMEL-GOSISDBHSA-N 423.294 5.013 0 40 HKAB COc1cccc(C(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)c1 20274103 RIPIYVYYJMSNBM-UHFFFAOYSA-N 417.490 5.290 0 40 HKAB Clc1ccc(-c2cc(CSc3nc(-c4ccc(Cl)cc4)n[nH]3)on2)cc1 22312946 YLHBNCDQFVOWOW-UHFFFAOYSA-N 403.294 5.726 0 40 HKAB S=c1sc(SC[C@H]2CN[C@@H](c3ccc(Cl)cc3)O2)nn1-c1ccccc1 23409332 QGVYENGYDQFOBU-HZPDHXFCSA-N 422.000 5.096 0 40 HKAB CCCn1c(SCC(=O)Nc2c(C)cccc2C)nc2ccc(C(F)(F)F)cc21 24167473 QTHMOXGAXBEFPM-UHFFFAOYSA-N 421.488 5.813 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 25933125 FSEDLILEFMFXMY-QFIPXVFZSA-N 413.477 5.122 0 40 HKAB O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1)c1cccc(Cl)c1 27519539 FSLBULIGIABUQR-UHFFFAOYSA-N 419.695 6.151 0 40 HKAB CCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(Cl)cc3c2C)cc1C 27746779 DVNYDCWUZJOMPG-UHFFFAOYSA-N 411.845 5.404 0 40 HKAB O=C(COc1ccc(F)cc1)Nc1nnc(-c2ccccc2-c2ccc(F)cc2)s1 27914027 IBGHSSDZOBGSBR-UHFFFAOYSA-N 423.444 5.168 0 40 HKAB COc1ccc(-c2cc(OCC(=O)Nc3ccc(C)c(C)c3)c3ccccc3n2)cc1 32985607 IDSNHGZPQCWPLS-UHFFFAOYSA-N 412.489 5.545 0 40 HKAB Cc1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)c3ccccc3C2=O)c1 33541996 UQHLCBUTAZKWOO-UDWIEESQSA-N 408.284 6.029 0 40 HKAB C[C@H](NC(=O)CN[C@H](c1cccs1)C(C)(C)C)c1ccc(Br)cc1 40155748 UOKVPPMLSNPROL-SCLBCKFNSA-N 409.393 5.065 0 40 HKAB C[C@@H](NC(=O)CN[C@H](c1cccs1)C(C)(C)C)c1ccc(Br)cc1 40155749 UOKVPPMLSNPROL-FZKQIMNGSA-N 409.393 5.065 0 40 HKAB COc1ccc2cc([C@H](C)C(=O)NCc3nc(-c4ccccc4)cs3)ccc2c1 59876871 OKYXKEPBYPSFNC-INIZCTEOSA-N 402.519 5.392 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(Cl)c(C)c3)oc12 67293654 VAZKTJBMOGSETH-RWEWTDSWSA-N 419.868 5.283 0 40 HKAB CCc1cccc(C)c1NC(=O)CSC1=NC2(CCCC2)N=C1c1ccccc1 71769085 GJSDZVHSTZGWNT-UHFFFAOYSA-N 405.567 5.401 0 40 HKAB O=C1OCCN1c1ccc(NC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1 72275398 RPLHLHBCHPSERU-UHFFFAOYSA-N 411.477 5.149 0 40 HKAB O=C(c1sc2cc(C(F)(F)F)ccc2c1Cl)N(CC(F)(F)F)C1CC1 84452343 MVVWAXMVFDTWGE-UHFFFAOYSA-N 401.759 5.740 0 40 HKAB CCOc1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccccc4Cl)cc3o2)cc1 100654714 HCLHWJVIVXMIDE-UHFFFAOYSA-N 419.864 5.764 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc2)cc1 216403877 JEPRCKGWOCMCOK-UHFFFAOYSA-N 416.546 5.666 0 40 HKAB Cc1ccc(C)c([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 218882525 RGPIGUJHBNQMAY-INIZCTEOSA-N 418.375 5.620 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219339432 JYGPMUKJIGMGEB-VXKWHMMOSA-N 403.522 5.724 0 40 HKAB CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 219838790 DXHOAINOVKNTCU-UHFFFAOYSA-N 422.912 5.310 0 40 HKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1 222919093 FLCVIXQSFDXTQX-VGOFRKELSA-N 410.558 5.309 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2Br)cc1COc1ccccc1 224086182 ANZBLDRTLULIPJ-UHFFFAOYSA-N 412.283 5.289 0 40 HKAB CCCCOCc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1OC 224437824 ZYCABYZBRGOQQR-UHFFFAOYSA-N 410.283 5.166 0 40 HKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccc(Cl)cc1 224525414 RULYLIOJILJEBI-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccs2)N1c1ccc(OC2CCCC2)cc1 225360872 HECOVLDMSXXYOV-FCHUYYIVSA-N 421.591 5.642 0 40 HKAB Cc1cc(NC(=S)NC(c2ccccc2)c2ccccc2)ccc1N1CCCC1=O 225520080 JIDDVTFSIOHKBT-UHFFFAOYSA-N 415.562 5.198 0 40 HKAB CCCCOc1c(C)cc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C 225555209 JUTAQJQXENMLFV-UHFFFAOYSA-N 413.989 6.976 0 40 HKAB CC[C@@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C 225560278 DOVJQSWQVBFDLO-HXUWFJFHSA-N 409.570 6.330 0 40 HKAB Cc1cc2nc(-c3cc(Br)c[n+](Cc4cccc(F)c4)c3)oc2cc1C 226308164 WUIDDKSWKHKARH-UHFFFAOYSA-N 412.282 5.349 0 40 HKAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 257254396 KCWRSAPTWGQNEW-UHFFFAOYSA-N 409.917 5.281 0 40 HKAB O=C(O)c1cccc(NCc2ccc(OCc3cccc4ccccc34)c(Cl)c2)c1 408609397 NECAVGXMMDNTFC-UHFFFAOYSA-N 417.892 6.383 0 40 HKAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O 408646159 VQVWUESQXHHAJG-KRWDZBQOSA-N 420.896 5.432 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccccc2)cc1C 408696598 BCBPGWZKXDQWTH-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2ccc(F)cc2)c1 408698442 PIHPVKBOMLJCRT-UHFFFAOYSA-N 422.463 5.787 0 40 HKAB CCc1ccccc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 409007806 RUPSPMNLTHSCEJ-UHFFFAOYSA-N 419.506 5.095 0 40 HKAB Cc1ccc(NCc2c(OCc3cccc(F)c3)ccc3ccccc23)cc1Cl 409109302 BGAXLFJOERCIAC-UHFFFAOYSA-N 405.900 7.132 0 40 HKAB Cc1ccc(COc2c(Cl)cc(CNc3ccc(C)c(C)c3)cc2Cl)cc1 409126964 CMLBFSIWXDGPQT-UHFFFAOYSA-N 400.349 7.110 0 40 HKAB Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)o2)cc1 409129437 GQJOJXILMDNNII-CPNJWEJPSA-N 413.564 6.356 0 40 HKAB O=C1S/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1c1ccccc1 409359743 NPYIVSYMCWNHGN-STZFKDTASA-N 421.905 6.160 0 40 HKAB Brc1ccc2[nH]c3c(Br)cc(Br)cc3c2c1 845399 LMYCYTOEMHSFKR-UHFFFAOYSA-N 403.899 5.609 0 40 HKAB Cc1ccc(S(=O)(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2)cc1 1016811 OFAWMOKARVHIBU-QFIPXVFZSA-N 410.926 5.188 0 40 HKAB O=C(O)c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)s2)c1 1110240 JFBYCNCKQKDIPF-UHFFFAOYSA-N 423.881 5.205 0 40 HKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C2CCCC2)cc1C 1339973 ZIZPILBTFQDERD-UHFFFAOYSA-N 405.567 6.013 0 40 HKAB Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 1341756 HIQHZOLPTZGJTO-QFIPXVFZSA-N 422.550 5.487 0 40 HKAB CCCC(=O)N1CCc2cc(-c3nc(NC(=O)c4cccc(F)c4)sc3C)ccc21 1365720 SUDYOGSKYVLBLZ-UHFFFAOYSA-N 423.513 5.199 0 40 HKAB CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)c4ccccc4)n12)CCCC3 1376469 RSFCAFRQKWCFCP-UHFFFAOYSA-N 422.579 5.316 0 40 HKAB COc1cc2c(cc1OC)C(c1ccc(-c3cccc(C(F)(F)F)c3)o1)=NCC2 1453176 WNTNAAOXUOKYHX-UHFFFAOYSA-N 401.384 5.376 0 40 HKAB Clc1cccc(-n2ncc3c2ncn2nc(-c4ccc(Cl)c(Cl)c4)nc32)c1 2402861 LKLRIPPAPFGMRN-UHFFFAOYSA-N 415.671 5.090 0 40 HKAB COc1cc(SC)ccc1C(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 2630086 YCZBTTPJHGHNTR-UHFFFAOYSA-N 404.487 5.028 0 40 HKAB O=C(Nc1cccc(Cl)c1)Nc1nc(-c2ccc(Br)cc2)cs1 2736539 GICKNWCWWHWEDR-UHFFFAOYSA-N 408.708 5.870 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(C)ccc2C)cc1 3075038 HSYRXHVKROILHZ-UHFFFAOYSA-N 418.522 5.099 0 40 HKAB Cc1cccc(N(C(=O)c2ccc(Cl)cc2)c2nc3ccccc3s2)c1Cl 3268510 BTBYAYAUTNOYJP-UHFFFAOYSA-N 413.329 6.890 0 40 HKAB O=C(OCc1csc(-c2ccccc2)n1)c1sc2cc(Cl)ccc2c1Cl 3338590 MBJWUDMINHJIJA-UHFFFAOYSA-N 420.342 6.689 0 40 HKAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(-c2nc3ccccc3s2)o1 3359636 ATOLCWKAPAXSBS-QGZVFWFLSA-N 421.522 5.106 0 40 HKAB O=C(Cc1cccc2ccccc12)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 4071296 PQUNMDDVAHQERI-UHFFFAOYSA-N 410.498 6.003 0 40 HKAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccccc1C(F)(F)F)CSC2 4176077 LUNRIVSILFUFAH-UHFFFAOYSA-N 403.429 5.199 0 40 HKAB Fc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(-c5ccccc5)cc4)=NN32)cc1 4419868 VAHAKZWTXMJSCY-IXCJQBJRSA-N 420.487 6.735 0 40 HKAB COc1cc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(OC)c1OC 4560675 FIWFFDYFBBZDDQ-UHFFFAOYSA-N 421.537 5.433 0 40 HKAB COc1ccc(-c2nc3ccc(Br)cn3c2Nc2ccccc2C)cc1 4733847 XMAUTPRWYNVNOX-UHFFFAOYSA-N 408.299 5.824 0 40 HKAB O=C1c2ccccc2[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1Cc1ccco1 4778868 VHYXHXYFVGMLNZ-SANMLTNESA-N 404.469 6.173 0 40 HKAB CCCCOc1ccc(CNC(=S)NCc2ccc(OCCCC)cc2)cc1 4795277 VJRJIFNIFBAUIC-UHFFFAOYSA-N 400.588 5.209 0 40 HKAB Cc1cccc(C(=O)N(Cc2cc3cc(C)cc(C)c3nc2Cl)C2CCCCC2)c1 4861283 FNYHDAQMOPAHGD-UHFFFAOYSA-N 420.984 6.789 0 40 HKAB Cc1ccc(Cn2nc(C)c(NC(=O)c3cc(-c4cccc(Cl)c4)on3)c2C)cc1 4881072 RJLXSTYPERAAIQ-UHFFFAOYSA-N 420.900 5.417 0 40 HKAB CCc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C(C)(C)C)cc4)c3c2c1 4969971 WJSHESZZMYETLA-UHFFFAOYSA-N 405.545 7.101 0 40 HKAB C[C@H](NC(=O)N(c1ccccc1)c1ccccc1)c1nc(-c2ccc(Cl)cc2)n[nH]1 5001879 ILCVGMVNBLKSBN-INIZCTEOSA-N 417.900 5.734 0 40 HKAB Cc1csc2nc(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)cn12 5083687 RCNULOMBUFVHIV-UHFFFAOYSA-N 412.312 5.386 0 40 HKAB CCCOc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)cc1 5597611 LTPWFSRHOKIEDI-UHFFFAOYSA-N 407.322 6.158 0 40 HKAB Cc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCC4)cc1 5745750 NRINCWRKBLSEOO-UHFFFAOYSA-N 418.587 5.845 0 40 HKAB COc1cc2sc(NC(=O)C(c3ccccc3)c3ccccc3)nc2cc1Cl 6441322 CSIDBMDMXGTPPE-UHFFFAOYSA-N 408.910 5.729 0 40 HKAB CCc1ccc2oc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)nc2c1 6604928 QNVDFBPUPJJJKL-UHFFFAOYSA-N 406.869 5.728 0 40 HKAB CCc1cc(-c2n[nH]c(CC)c2-c2nnc(-c3ccccc3)s2)c(O)cc1OC 6648568 DOGCUUCAICNHJL-UHFFFAOYSA-N 406.511 5.101 0 40 HKAB O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1cccc2ccccc12 7099098 BJRFZWJLZZRIMC-UHFFFAOYSA-N 410.498 5.726 0 40 HKAB Cc1cccc(-n2c(/C=C/c3ccc(Br)cc3)nc3ccccc3c2=O)c1 8431505 CEENMWVPCGHUQK-SDNWHVSQSA-N 417.306 5.627 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccc(Cl)cc2)c1 8476706 FFFFCPZZWMJVHG-UHFFFAOYSA-N 416.912 5.135 0 40 HKAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 8586717 IQDOLKDVKQMZQM-HNNXBMFYSA-N 404.491 5.378 0 40 HKAB CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(OC)cc3)N3CCCCC3)c(C)c2c1 8613373 ZIQCQUSQSIAMDY-QHCPKHFHSA-N 420.553 5.269 0 40 HKAB CC(C)c1nc2sc3c(NCc4ccccn4)ncnc3c2c2c1COC(C)(C)C2 8618326 CCXPFUATZUHZBD-UHFFFAOYSA-N 419.554 5.221 0 40 HKAB Fc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)n2)cc1 8694700 NMLJSTFWCWCTLS-FQEVSTJZSA-N 423.513 6.506 0 40 HKAB CC(C)(C)c1ccc(-c2nn3c(-c4cccc(C(F)(F)F)c4)nnc3s2)cc1 8715056 VHFRGIYRTFNBEN-UHFFFAOYSA-N 402.445 5.836 0 40 HKAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(Cl)c(Cl)c3)sc2c1 8903602 RVDJBJXALINMGF-UHFFFAOYSA-N 409.294 5.421 0 40 HKAB O=C(COC(=O)c1cc2c(s1)CCCC2)Nc1c(Cl)cc(Cl)cc1Cl 9128222 QNUHZNBDGNHZCG-UHFFFAOYSA-N 418.729 5.383 0 40 HKAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCC[C@@H]1c1nc2ccccc2s1 9256454 RZMGMIRJMNSAGW-MRXNPFEDSA-N 414.914 5.088 0 40 HKAB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(C)c2)cc1 9288275 JMBVGAJRCYXPKZ-XMMPIXPASA-N 424.504 5.281 0 40 HKAB O=C(c1csc(-c2ccc(F)cc2)n1)N1CCC[C@@H]1c1nc2ccccc2s1 9861906 BCIMPCMBLSTRKQ-QGZVFWFLSA-N 409.511 5.536 0 40 HKAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1SCc1ccccc1 10036792 JHVAZQIIHDPRAZ-UHFFFAOYSA-N 400.503 5.044 0 40 HKAB Cc1nc(Nc2cccc(C(F)(F)F)c2)nc2c1C(=O)C[C@@H](c1ccc(F)cc1)C2 10156902 XLHCOLBYMWOLEY-AWEZNQCLSA-N 415.390 5.599 0 40 HKAB CC(C)[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 10857442 ROGSFAAPRZFKFV-PXRHPAFUSA-N 424.972 5.105 0 40 HKAB CC(C)n1ncc2c(C(=O)Nc3ccccc3Cc3ccccc3)cc(C3CC3)nc21 12587162 IWPHAHDBUHHXRV-UHFFFAOYSA-N 410.521 5.733 0 40 HKAB CC(C)c1ccccc1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 12798157 NALZQTFVJCFFBZ-UHFFFAOYSA-N 415.356 5.877 0 40 HKAB Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@H](c1ccco1)O2 13036352 VREJKRONEZOCFX-KDOFPFPSSA-N 401.285 5.346 0 40 HKAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1 13168158 GHYLAMADFYIONH-UHFFFAOYSA-N 410.640 5.857 0 40 HKAB Fc1ccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1Cl 13281835 RZNXZTSHOQDZKL-UHFFFAOYSA-N 409.251 6.082 0 40 HKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)nc2c1 13946100 RKHHJAWSKWQKGV-UHFFFAOYSA-N 420.896 6.289 0 40 HKAB Cc1ccc(OC[C@@H](O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)cc1 15860766 SDCSAOYQBKWSMP-IBGZPJMESA-N 422.912 5.017 0 40 HKAB CCc1cc(I)ccc1NC(=O)c1ccc(Cl)cc1Cl 16161262 RBAWBRITLCLHHE-UHFFFAOYSA-N 420.077 5.413 0 40 HKAB Cc1cc2nc(-c3cccc(NC(=O)COc4cccc(C)c4C)c3)oc2cc1C 16362167 PJCOPNMHZUXDJD-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccc(C)cc2)cc1Cl 16741636 ZKIYSABWJXGXLH-LCUIJRPUSA-N 420.965 6.468 0 40 HKAB CCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 17088129 DKZSZRVSDLHCMA-ZRDIBKRKSA-N 408.885 5.909 0 40 HKAB CC(C)c1ccccc1-n1ccnc1SCc1nc2ccc(Cl)cc2c(=O)[nH]1 18437404 CKRDRDSEJVGUST-UHFFFAOYSA-N 410.930 5.178 0 40 HKAB COc1ccccc1-c1noc(CCC(=O)Nc2cc(Cl)c3oc(C)cc3c2)n1 19660688 GNDDCFFLENLGAY-UHFFFAOYSA-N 411.845 5.025 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccc(Br)c1 20138006 YKHNTQUJRAIWIK-UHFFFAOYSA-N 406.663 5.107 0 40 HKAB CCOc1cc(CNCCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1 22074531 MWKZIGAVZFTJFE-UHFFFAOYSA-N 413.920 5.789 0 40 HKAB Cc1noc(C)c1COc1ccc(CC(=O)N2CC[C@@H](C)Sc3ccccc32)cc1 22256821 AOFFMANSXSCUMZ-MRXNPFEDSA-N 422.550 5.330 0 40 HKAB CC(C)c1ccc(OCC(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1 28293680 JULFCFFVRGGERZ-UHFFFAOYSA-N 412.892 5.610 0 40 HKAB Cc1cc(NC(=O)Cn2ccc3cc(Br)ccc32)ccc1Br 32124589 LRXGACBPTRLBOG-UHFFFAOYSA-N 422.120 5.113 0 40 HKAB Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc(C)c(C)c3)n2)cc1 32578825 YIOBCBQPJZBSFH-UHFFFAOYSA-N 413.477 5.493 0 40 HKAB O=C1c2ccccc2N[C@@H](c2cc(Cl)ccc2OCc2cccnc2)N1C1CC1 32825974 HGPKQOJTABMEKN-JOCHJYFZSA-N 405.885 5.043 0 40 HKAB CCCc1ccc([C@@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)c2cccs2)cc1 32885639 WFUNENBDQVNXOX-WMZHIEFXSA-N 404.535 5.032 0 40 HKAB COc1cccc2c1O[C@@H](c1ccc(C(F)(F)F)cc1)N1N=C(c3ccccc3)C[C@H]21 35544396 VPMLCAPXNLPIKP-OFNKIYASSA-N 424.422 5.956 0 40 HKAB Cc1cc2nc(N)sc2c(C)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 45890426 GPMSACMVJWOZGQ-JTQLQIEISA-N 410.326 5.208 0 40 HKAB Cc1ccc(OCCSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)cc1 59109297 NYFXYDGNFQDCOJ-UHFFFAOYSA-N 422.575 5.544 0 40 HKAB Cc1ccc(Cn2c(SCc3ccc(F)cc3F)nc3ccccc3c2=O)cc1 67259481 JYNQAFSSEFSRJB-UHFFFAOYSA-N 408.473 5.324 0 40 HKAB COc1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2cccs2)c1OC(F)F 72264318 UJEDYMKASPKQCZ-KRWDZBQOSA-N 423.868 5.531 0 40 HKAB O=c1c(Cl)c(Cl)cnn1-c1ccc(N[C@@H]2C[C@@H]2c2cccc(F)c2)c(Cl)c1 72274780 QZVRPQJILFWEAO-CXAGYDPISA-N 424.690 5.300 0 40 HKAB Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCN(Cc3c(C)nn(C(C)C)c3C)C2)n1 72374810 ZZKVGBNZZRTVJR-QHCPKHFHSA-N 420.576 5.504 0 40 HKAB Cc1ccccc1-n1c(SCc2ccccc2)nc2c(-c3ccccc3)c[nH]c2c1=O 73686398 OERFVSWBDMORJP-UHFFFAOYSA-N 423.541 5.982 0 40 HKAB Cc1ccc(-c2cnc(CCC(=O)N3CCCCC[C@H]3[C@H]3CCCCC3=O)o2)cc1 79066674 LBMGXKCVHZKJJW-RTWAWAEBSA-N 408.542 5.113 0 40 HKAB CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(C(C)(C)C)cc1 94992820 ACIJKWWBIVPOHU-QHCPKHFHSA-N 419.569 5.452 0 40 HKAB Cc1cccc(NC(=O)c2ccnn2-c2ccc3ccc(-c4cccnc4)cn23)c1C 96037991 UDWTYQFMGUIMJU-UHFFFAOYSA-N 407.477 5.056 0 40 HKAB Cc1nnc(COC(=O)c2c3c(nc4ccccc24)/C(=C\c2cccs2)CCC3)o1 96483839 HDPUWQJJPNBRHY-QINSGFPZSA-N 417.490 5.222 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN1CCCc2ccccc21 219392006 DTGGWQZUVVNJJS-NRFANRHFSA-N 402.991 5.170 0 40 HKAB CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC 223416013 QWEKHZRMNDYBLD-QHCPKHFHSA-N 414.977 5.516 0 40 HKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223551076 VNNQQSWBGQDEFA-CQSZACIVSA-N 408.310 5.308 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSc1ccc(Cl)cc1 224070264 MPUWWMCAODDOFR-NRFANRHFSA-N 403.975 5.285 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1)c1ccc(C)c(C)c1 224166666 PKTCZNPBHZWZQN-VNLJKWRZSA-N 416.521 5.243 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1COC(C)C 224717670 FZYNUUUPHBAPRA-UHFFFAOYSA-N 419.521 5.842 0 40 HKAB C[C@@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1 224896530 JGTHDTLVPTURBI-MRXNPFEDSA-N 402.881 6.153 0 40 HKAB S=C(NCCSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl 225344037 AYSGOVNWGGYETM-UHFFFAOYSA-N 405.803 5.867 0 40 HKAB Cc1cc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc(C)c1OC(C)C 225578478 AYBQYLVGMGVTSB-UHFFFAOYSA-N 401.934 5.431 0 40 HKAB COC(=O)c1cc(NC(=S)NCCCSCc2cccc(C)c2)ccc1Cl 225604170 JKJMODAWADMCIW-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CCCC2)c1 225679599 PXGIXSIZTGCBQQ-UHFFFAOYSA-N 401.550 6.634 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)c4ccccc34)CCCCC2)c1 225759424 ZIEJZJZTALKVRL-UHFFFAOYSA-N 401.550 6.776 0 40 HKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(Br)c(Cl)c1)C(C)C 225761143 DQTJWGTXHSUQAG-KRWDZBQOSA-N 411.796 6.095 0 40 HKAB Cc1ccc([C@@H](NC(=S)Nc2cccc(OC(C)C)c2)c2ccccc2)c(C)c1 225769103 PLGRXNVKJCLNRM-DEOSSOPVSA-N 404.579 6.167 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@]4(O)[C@H](O)CCC[C@]4(C)[C@H]3CC[C@@]12C 257350418 XHJMYRAEGCTDKQ-RFBYBFSHSA-N 404.679 6.584 0 40 HKAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl 408616029 UYEASMDTEPNEDL-UHFFFAOYSA-N 413.304 5.484 0 40 HKAB CCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 408733432 JEYUWSYOHSBAHM-QHCPKHFHSA-N 406.913 6.290 0 40 HKAB CCOc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccccc1 409176934 BNKAHEIREBRIAA-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB COc1ccccc1[C@@H]1CCCN(C(=O)c2cccc(-c3c(F)cccc3F)c2)CC1 1615058111 LMXHLYJWDBQEHN-GOSISDBHSA-N 421.487 6.050 0 40 HKAB COCC(=O)N1CCCCCCCNCc2cc(-c3cccc(OC(C)C)c3)ccc21 2037931631 LKNJFBBTMUUVMW-UHFFFAOYSA-N 424.585 5.174 0 40 HKAB CC(C)[C@H]([C@H](F)C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 1586254 DSSFNGQBDOOLFJ-IZZNHLLZSA-N 419.540 5.795 0 40 HKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2ccc(Cl)cc2)C4)cc1 2125863 WDPDYDYJGYGLTB-UHFFFAOYSA-N 419.864 5.479 0 40 HKAB biogenic Cc1ccc(C(=O)Nc2nc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)cc1 2250073 MBNANFRZCJHOMH-UHFFFAOYSA-N 405.461 5.019 0 40 HKAB COc1ccc([C@]2(C)CC(C)(C)N(C(=O)/C=C/c3ccccc3)c3ccccc32)cc1 2294820 OUEQBCWKRBFLRA-AASAHQDDSA-N 411.545 6.230 0 40 HKAB CCCCCCNC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 2362657 WZRGWTMWUNYQJM-UHFFFAOYSA-N 419.573 5.367 0 40 HKAB COc1ccc(-c2cc(-c3c[nH]c4ccccc34)nn2-c2ccc(C)c(Cl)c2)cc1 2633209 MPQRAWKXBJZZBD-UHFFFAOYSA-N 413.908 6.658 0 40 HKAB O=C(Oc1c(-c2ccccc2)oc2ccccc2c1=O)c1ccc(Br)cc1 2888497 JVOLCAGNICQCBD-UHFFFAOYSA-N 421.246 5.442 0 40 HKAB Cc1ccc(NP(=O)(Oc2ccccc2Cl)Oc2ccccc2Cl)cc1C 3123402 ASAGYRRBVIKPFX-UHFFFAOYSA-N 422.248 7.288 0 40 HKAB COc1ccc(C)cc1Nc1nnc(SCC(=O)c2c(C)[nH]c3ccccc23)s1 3266374 UFXITXOMHGJTPA-UHFFFAOYSA-N 424.551 5.363 0 40 HKAB CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 3982452 KZJWDPNRJALLNS-SNXNENMCSA-N 414.718 8.025 0 40 HKAB biogenic CCCCc1ccc(NC(=S)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 4682499 JXZVOBZTJXCAJS-UHFFFAOYSA-N 402.007 5.510 0 40 HKAB O=C1C[C@@H](c2ccc(F)cc2)Cc2nc(Nc3cccc(C(F)(F)F)c3)ncc21 4747361 IZKGJGAIHWFNRW-ZDUSSCGKSA-N 401.363 5.291 0 40 HKAB CCN(CC)c1ccc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)cc1 4797570 UJVSKQXDJMTPOV-UHFFFAOYSA-N 421.588 7.292 0 40 HKAB COc1cccc(-c2ocnc2C(=O)Nc2ccc(N3Cc4ccccc4C3)cc2)c1 4932767 SDZLCOIEOZONRP-UHFFFAOYSA-N 411.461 5.123 0 40 HKAB COc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cc(F)cc4c32)cc1 4970190 UOQHYNPURJVFSW-UHFFFAOYSA-N 405.379 5.667 0 40 HKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2OC)c1 4973348 QDNFEEWSGPWORS-OAHLLOKOSA-N 417.465 5.328 0 40 HKAB CC1(C)CC(/C=C/C=C2/CC(C)(C)Sc3ccccc3N2)=Nc2ccccc2S1 5578410 QUPVLKOGKCYBPD-GMNXGNKQSA-N 420.647 7.860 0 40 HKAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc([C@H](C)Oc3ccc(F)cc3)o2)cc1 6374505 DZTUEOVDQVHVCP-UONOGXRCSA-N 415.490 5.030 0 40 HKAB Cc1nnc(SCC(=O)N(c2ccccc2)C2CCCCC2)n1Cc1ccccc1 6531767 RGSVLPDYFPFSIT-UHFFFAOYSA-N 420.582 5.093 0 40 HKAB COc1cc(Br)c(-c2nc3ccccc3s2)c(Br)c1N 8702047 APQWLXFRKQQFEQ-UHFFFAOYSA-N 414.122 5.079 0 40 HKAB CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2Nc2ccc(Cl)cc2)cc1 8756672 VDMBXXHYHJHMDV-UHFFFAOYSA-N 422.937 6.027 0 40 HKAB CN(C(=O)CSc1ccc(C(F)(F)F)cn1)C(c1ccccc1)c1ccccc1 10398950 WKTKVXIPSIUZRJ-UHFFFAOYSA-N 416.468 5.441 0 40 HKAB CCOc1ccc(CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 10448474 FGZKYMMIHXIEHQ-UHFFFAOYSA-N 411.954 5.961 0 40 HKAB CC(C)C(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cs1 12220096 UEXMDJZQFQMBAV-UHFFFAOYSA-N 423.513 5.137 0 40 HKAB O=C(C[C@H]1C=CCC1)NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1 12257264 VZLWTSUHQFFWQY-SFHVURJKSA-N 410.521 5.056 0 40 HKAB CC(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN23)cc1 12437259 RNFZNORCPIBXNF-PXJZQJOASA-N 418.540 7.206 0 40 HKAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Cl)cc1Cl 12466557 QPQSMMYCNBJGJS-UHFFFAOYSA-N 410.109 5.133 0 40 HKAB CCc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3Br)o2)cc1 12780624 ANAXWTYKYNXZDU-LBPRGKRZSA-N 417.328 5.425 0 40 HKAB Cc1nc(C2CC2)nc2sc(C(=O)Nc3ccc(NC(=O)CC(C)C)cc3)c(C)c12 13011786 UKIRLNKCTZOVFO-UHFFFAOYSA-N 422.554 5.422 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccc(-c2ccccc2)cc1 13634903 HOIUDXSNTGFOGG-UHFFFAOYSA-N 424.887 7.068 0 40 HKAB O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(OCc2ccccc2Cl)cc1 13928156 HNSXNJANCQIKNO-BKUYFWCQSA-N 407.828 5.403 0 40 HKAB O=C(Nc1cccc([C@H]2NC(=O)c3ccccc3N2)c1)c1ccc(Cl)cc1Cl 14095078 JWRKDAWJWFMXCF-LJQANCHMSA-N 412.276 5.100 0 40 HKAB c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)s2)cc1 16488058 GCHWYAKNSHWLNJ-UHFFFAOYSA-N 418.565 8.688 0 40 HKAB CC(C)(C)c1ccc(OCc2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1 17056128 SGDLFZFZSGRQFJ-UHFFFAOYSA-N 416.934 5.712 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1Cl 17088277 AQKMFTQPHHCOGP-UHFFFAOYSA-N 409.494 5.427 0 40 HKAB CC(C)(Br)C(=O)Nc1nc2ccc(OCc3ccc(F)cc3)cc2s1 20133233 ABXFKAXFGGMNAX-UHFFFAOYSA-N 423.307 5.126 0 40 HKAB Cc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1 20150928 URCHUFBDDHIVDP-CSKARUKUSA-N 416.260 5.912 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 20451076 MADWJGCKNNXRLK-LJQANCHMSA-N 421.562 5.747 0 40 HKAB c1ccc(-n2cc(CNC[C@H](c3ccco3)N3CCCC3)c(-c3cccs3)n2)cc1 23247699 ZENBZQRQFDTVAQ-OAQYLSRUSA-N 418.566 5.121 0 40 HKAB Cc1ccc(C(=O)C2CCN(C(=O)c3cc4ccc(F)cc4nc3C)CC2)c(C)c1 24455235 SPYSBZVWNSOPBT-UHFFFAOYSA-N 404.485 5.034 0 40 HKAB C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(F)cc1Cl)c1ccccn1 28293614 UNJJXWZOFSRZFR-AWEZNQCLSA-N 402.828 5.014 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)c2ccncc2)cc1 30952939 PUWKJKIXARTNCM-CYBMUJFWSA-N 415.276 5.025 0 40 HKAB O=C(Nc1cc(-c2nc3cnccc3o2)ccc1Cl)c1ccc(Br)o1 32090167 ZPWBHFSMMFEOOC-UHFFFAOYSA-N 418.634 5.151 0 40 HKAB CSc1ccccc1NC(=O)c1ccccc1OCc1nc(-c2ccccc2)no1 32578739 PESPOSRIITVRIE-UHFFFAOYSA-N 417.490 5.290 0 40 HKAB CC(C)CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1 41076958 GHGGEDTWNHSNNJ-UHFFFAOYSA-N 417.431 5.237 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CN2CCCc3ccccc32)cc1 44884901 JDSZTBHKUWDZHC-UHFFFAOYSA-N 410.439 5.911 0 40 HKAB OC1(c2ccc3c(c2)c2c4n3CCN(Cc3ccccc3)[C@H]4CCC2)CCCCC1 55212207 UZLSNKZNMAKTBE-VWLOTQADSA-N 400.566 5.686 0 40 HKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 57315992 ASWGEAVMDHQUMJ-UHFFFAOYSA-N 420.509 5.626 0 40 HKAB Cc1c(C(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)oc2c(Cl)cccc12 72272856 JXEYXWHJNRRQCQ-UHFFFAOYSA-N 416.304 5.783 0 40 HKAB O=C(c1ccccc1)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72357602 OMRXJVAKZJLTMG-QFIPXVFZSA-N 410.439 5.669 0 40 HKAB Cc1nc(C)c([C@H](C)NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)s1 84062394 VYSJDSFDLFJLQO-NSHDSACASA-N 422.337 5.745 0 40 HKAB CC(C)OCCCNC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 100407584 DDHDYFBHPANCQY-VQPBZQMVSA-N 418.581 5.528 0 40 HKAB Cc1ccc(NC(=O)COC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)cc1 102166375 REEPGYVYQRKLKO-WSQGFLFRSA-N 403.522 5.015 0 40 HKAB CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)Nc1nc(-c3ccc(C)c(C)c3)cs1)[C@H]2C(=O)O 102246399 AIKRVADVIYMACM-YKCBXCCJSA-N 410.539 5.059 0 40 HKAB C[C@@H]1CN(c2ccccc2NC(=O)N[C@H](c2cccs2)C(C)(C)C)C[C@@H](C)O1 106626520 AMOXPNGDDDEVGE-JXXFODFXSA-N 401.576 5.271 0 40 HKAB Cc1ccc(NCc2cc(Br)ccc2OCc2ccccc2F)cc1C 107027487 DEAZODXYFCUZLE-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)N=O)CC[C@@H]32)C1 118924462 OSEUSDPKNGVSLT-AUHGPQMZSA-N 404.595 5.579 0 40 HKAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCS[C@H](c2cccs2)CC1 219513377 DIZQXGZPCDXVRZ-NRFANRHFSA-N 420.559 5.877 0 40 HKAB CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 223404577 QGBBGHUHSYPASE-DEOSSOPVSA-N 420.940 5.055 0 40 HKAB COc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccc(Cl)c(C)c1 224201899 AKGRGRBWOCVSDD-UHFFFAOYSA-N 413.945 5.856 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1C 224284678 NOMDBLOOQIIZSB-BJKOFHAPSA-N 416.594 5.792 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccccc1C(C)(C)C 224508691 FJFVAMPYOJZRSS-UHFFFAOYSA-N 417.549 6.523 0 40 HKAB CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224630207 UBSOPDNFTZAKQA-UHFFFAOYSA-N 418.342 5.004 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1CSc1ccc(C)cc1 224661144 LHKZXOVDXAGANX-UHFFFAOYSA-N 405.563 6.555 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1C1CCCC1 225010008 XNHGSOLUQKHEOD-FGZHOGPDSA-N 422.985 5.441 0 40 HKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CCCC1 225012991 CHKQHPHJHDVNMA-PKTZIBPZSA-N 408.615 5.530 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225121813 GLIVMHZULZKNRS-LJQANCHMSA-N 412.555 5.177 0 40 HKAB COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1Cl 237260325 DYDGSTVQIOPNAD-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB Cc1ccc(C(=O)O)c(OCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)c2ccccc2)c1 257217191 CXXRCJLNWIGWGJ-SFHVURJKSA-N 421.468 5.001 0 40 HKAB COc1ccc(NC(=O)COc2ccc(CNc3ccc(C)cc3)cc2Cl)cc1 408553652 BEZWRSOSMQLAIW-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(Cl)ccc3C)n2)cc1 408697559 HTZNHDBAABDNIO-UHFFFAOYSA-N 416.912 5.711 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3)n2)cc1 408698177 LTJSOVOBWXPGBH-UHFFFAOYSA-N 400.457 5.197 0 40 HKAB CC(C)(C)c1ccc(/C=C/C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 409028573 PCTVQYCQVHFFDI-FMIVXFBMSA-N 422.421 6.354 0 40 HKAB Cc1ccc(N2C(=O)c3cccc4c(Br)ccc(c34)C2=O)c(Cl)c1 1021010 VIMVOPPPSYWBCJ-UHFFFAOYSA-N 400.659 5.365 0 40 HKAB Cc1ccc(C(=O)N2CCc3cc(-c4nc(NC5CCCC5)sc4C)ccc32)cc1 1354338 SFTCFUOFCMMZRW-UHFFFAOYSA-N 417.578 5.984 0 40 HKAB CC(=O)Nc1ccc(C(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c23)cc1 1377446 OKOMTTCEDPLYRS-UHFFFAOYSA-N 411.552 5.119 0 40 HKAB FC(F)(F)c1cccc(-c2nc3ncccc3n2OCc2ccccc2Cl)c1 1400180 PGOPMAHTKZCGJK-UHFFFAOYSA-N 403.791 5.399 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cnc(-c2ccccc2)nc1-c1ccccc1 1401660 FNNLXVWMXDUIJO-UHFFFAOYSA-N 420.299 6.370 0 40 HKAB CCc1nc(-c2ccccc2)nc2c1nc(-c1ccc(C)cc1)n2Nc1ccccc1 1611303 CRYNGAOUYAWSMF-UHFFFAOYSA-N 405.505 5.906 0 40 HKAB CCN(CC)CCOC(=O)[C@H]1[C@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 1699500 KBRRUVKSKDQSOP-IZZNHLLZSA-N 413.561 5.271 0 40 HKAB CCOc1ccc(/C=C/C(=O)Oc2ccc(-c3ccccc3)cc2Br)cc1 1775720 XRLHUFSNEHJMAK-XNTDXEJSSA-N 423.306 6.134 0 40 HKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Br)cc3)c2c1 2055559 VXRGOHDZIWCNBQ-UHFFFAOYSA-N 417.306 6.225 0 40 HKAB O=P(OC1CCCCC1)(OC1CCCCC1)[C@H](O)c1c(Cl)cccc1Cl 2381483 GINDWFFJWYJLCA-IBGZPJMESA-N 421.301 6.876 0 40 HKAB COc1ccc(C(=O)Nc2ccc3nc(SCc4ccccc4)sc3c2)cc1 2394711 RODAURDPJMQZHQ-UHFFFAOYSA-N 406.532 5.850 0 40 HKAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cnc(Cl)c(Cl)c1 2640908 XMFWNWWCQVLRGF-UHFFFAOYSA-N 406.250 5.617 0 40 HKAB CCN(C(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1)c1cccc2ccccc12 3216404 BXEHBKNISMHTAC-UHFFFAOYSA-N 423.512 5.646 0 40 HKAB COc1ccc(NC(=O)[C@H](OC(=O)c2cccc(F)c2)c2ccccc2)cc1Cl 3300145 VGPYRBNNFUKZID-HXUWFJFHSA-N 413.832 5.025 0 40 HKAB CSc1nc2sc3c(c2c2nnc(SCCC(C)C)n12)C[C@@H](C(C)C)OC3 4311832 HEIYRINWULZGJY-ZDUSSCGKSA-N 422.645 5.296 0 40 HKAB COc1ccc(-c2c(C)c3cc(OCc4ccccc4)ccc3oc2=O)cc1OC 4340757 DEUYNQLKUWFYHN-UHFFFAOYSA-N 402.446 5.365 0 40 HKAB biogenic CCOC(=O)N1CCN(CCCCCCOc2ccccc2C2CCCCC2)CC1 4416355 CZWFEIPDFUMCFT-UHFFFAOYSA-N 416.606 5.448 0 40 HKAB Clc1ccc(CCN(C/C=C/c2ccccc2)C/C=C/c2ccccc2)c(Cl)c1 4699221 KQHGKDULKFFGCW-FNCQTZNRSA-N 422.399 7.265 0 40 HKAB CC(=O)Nc1ccc(-c2nnc(SCc3ccccc3F)n2-c2ccccc2)cc1 4748588 TVXCOLQDKSMNPZ-UHFFFAOYSA-N 418.497 5.324 0 40 HKAB CCc1cc2ccc(C)c(C)c2nc1SCC(=O)Nc1cc(OC)ccc1OC 4849413 IQFGQEALMODZJJ-UHFFFAOYSA-N 410.539 5.162 0 40 HKAB Clc1ccc([C@H]2CC(c3ccccc3Cl)=NN2c2cccc(Cl)c2)cc1 5003181 GWOBRQCMJHPOTH-OAQYLSRUSA-N 401.724 7.003 0 40 HKAB Fc1ccc(-n2c(SCc3nc4ccccc4o3)nnc2-c2ccccc2)cc1 5689372 NUINPMJJLRPGLG-UHFFFAOYSA-N 402.454 5.507 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3o2)cc1C 6215878 VQCBVWLAFNWQPT-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB CSCC[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1 6567018 CDLFUSILKBRDOB-KRWDZBQOSA-N 408.354 5.023 0 40 HKAB Cc1cc([C@@H]2S[C@H](C)C(=O)N2Cc2ccc(Cl)cc2)cc(C)c1OC(F)F 6602829 AZLNTSNBMWICEP-YJYMSZOUSA-N 411.901 5.721 0 40 HKAB Cc1n[nH]c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)S[C@H](C)C(=O)N2 6678742 IPRWWYKLQATODP-YJYMSZOUSA-N 413.930 5.114 0 40 HKAB CCc1nnc(S/C(=C\c2ccc(OCc3cccc(Cl)c3)cc2)C(=O)O)o1 7508624 YQZYPJIABMDXOD-BOPFTXTBSA-N 416.886 5.082 0 40 HKAB CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Cl)cc3Cl)c2c1 8383367 YVOBPRYROIPEBX-UHFFFAOYSA-N 421.327 7.023 0 40 HKAB Fc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1c1cc(Cl)ccc1Cl 8398013 VDOUJDUPXZSZKU-HXUWFJFHSA-N 419.714 7.142 0 40 HKAB COc1c(C)c(C/C=C(/C)CC/C=C(\C)CCC=C(C)C)c(OC)c(OC)c1OC 8665909 XUKZWFXRDDPNAW-KLVUCIMESA-N 416.602 6.991 0 40 HKAB C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)/C=C/c1nc2ccccc2o1 8727782 SYWUPTZEXHEPPS-JKGDOXCYSA-N 402.519 5.563 0 40 HKAB CSc1nc(NCCC(C)C)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4 9111533 ZCGJCOLVBWWZQN-UHFFFAOYSA-N 424.595 6.168 0 40 HKAB COc1ccccc1C(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccc(C)cc1C 9357109 CZPVWLZUUXGLOE-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)Nc4ccc(Cl)cn4)c(C)c3cc12 9418447 SVEMEICSPVTHPV-UHFFFAOYSA-N 410.857 5.084 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccs3)c3cccc(C)c3C)cc2c1 9461625 JJSJIORWXSABNS-UHFFFAOYSA-N 402.519 5.362 0 40 HKAB COc1ccc(SCC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 10219157 QUZXBIDXOYWTRZ-UHFFFAOYSA-N 422.531 5.408 0 40 HKAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc3c(c(-c4ccccc4)c12)CCCC3 12250470 VINHDRZWFSBFMG-UHFFFAOYSA-N 418.949 6.309 0 40 HKAB Clc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 12604093 ACQOTEUWJIFECV-GBXCKJPGSA-N 418.880 5.354 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OCC 12908362 MRHSEJDLXHRSQS-UHFFFAOYSA-N 407.894 5.187 0 40 HKAB C[C@H](SCc1csc(-c2ccco2)n1)C(=O)Nc1ccccc1C(F)(F)F 12935776 ZSSVHNMTSZVTIE-NSHDSACASA-N 412.458 5.682 0 40 HKAB COc1cccc(N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)c1 13364445 XHWPDGFVHJPENR-FQEVSTJZSA-N 409.848 5.739 0 40 HKAB Cc1nn(Cc2ccccc2)c(C)c1CN(Cc1cccnc1)Cc1cccs1 13569738 UQNFZVMUHPOTHA-UHFFFAOYSA-N 402.567 5.207 0 40 HKAB O=C1[C@@H](c2ccccc2)[C@@H](c2cccs2)N[C@@H](c2cccs2)[C@@H]1c1ccccc1 13799778 UCZYTGZNLXWZAW-NEWJYFPISA-N 415.583 6.332 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)C(Cl)(Cl)Cl 13946163 VJLCYMMTCDBKTN-UHFFFAOYSA-N 401.702 5.281 0 40 HKAB COc1cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(OC)cc1Cl 14381586 LBUZCAUJYISSHP-UHFFFAOYSA-N 421.280 5.237 0 40 HKAB C[C@@H](NC(=O)c1ccccc1Nc1ccccc1)c1nc2ccccc2n1C(F)F 15544345 ARTXHEZZSMKHPB-OAHLLOKOSA-N 406.436 5.666 0 40 HKAB O=C(NCCC(c1ccccc1)c1ccccc1)c1c[nH]c(=S)n1-c1ccccc1 16640777 YVKJIQZQODEEQO-UHFFFAOYSA-N 413.546 5.487 0 40 HKAB Cc1c(C(=O)Nc2ccc(Nc3ccccc3)cc2)sc2nc(-c3ccccc3)cn12 16740402 ZTJKXNSASFDHKX-UHFFFAOYSA-N 424.529 6.367 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)COc1ccc(C(C)C)cc1 17090814 XMZPEXYEPAUFQS-UHFFFAOYSA-N 416.546 6.413 0 40 HKAB Cc1ccccc1-c1nc2cc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)ccc2o1 17092475 UQYGSZBBEBYYCS-UHFFFAOYSA-N 420.896 6.253 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 17093387 GENNOVGBLRFFKF-UHFFFAOYSA-N 422.937 6.251 0 40 HKAB c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCN(Cc4ccncc4)C3)n2)cc1 19373154 CHPNPWVDFCNBEL-QFIPXVFZSA-N 422.536 5.057 0 40 HKAB COc1cccc(NC(=O)c2ccc(-c3ncc(C(F)(F)F)cc3Cl)cc2)c1 22873102 IYCJOVZCJWLJHV-UHFFFAOYSA-N 406.791 5.682 0 40 HKAB Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2NCc2ccc(F)cc2)cc1 23114524 ZDLGUTOSPSMNLQ-UHFFFAOYSA-N 424.472 5.266 0 40 HKAB O=C(Cc1ccc(F)cc1)Nc1cc(Cl)cc(Br)c1OC(F)F 24986922 GRSZCPIDRLKLSO-UHFFFAOYSA-N 408.601 5.024 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc2ccccc12 28294826 CCOUFHINAZVWCE-NHYWBVRUSA-N 412.338 5.608 0 40 HKAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1cccc(Cl)c1 32578488 UVMLUZFSQPEZJQ-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB Cc1cc(OC(=O)c2nc(SCc3ccccc3F)ncc2Cl)ccc1Cl 32624100 PCWJUMKNOJTHRO-UHFFFAOYSA-N 423.296 5.742 0 40 HKAB O=C1CCCN1c1cc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)ccc1Cl 32880027 CVZKYXYAIGXNDB-UHFFFAOYSA-N 421.299 5.064 0 40 HKAB COc1ccc([C@H](NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)C2CC2)cc1 40086837 KGJLMTZJZAGZSI-XMMPIXPASA-N 414.505 5.137 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C(C)=O)c1 49004978 ZYKJTWFIFPADPN-FQEVSTJZSA-N 416.525 5.289 0 40 HKAB CC(C)c1cc2cccnc2n1CCc1noc(-c2ccc(C(F)(F)F)cc2)n1 57773324 OVORGLAZIWDMOQ-UHFFFAOYSA-N 400.404 5.471 0 40 HKAB O=C(c1cnc2ccc(Cl)cc2c1Nc1cc(Cl)ccc1Cl)N1CCCC1 64658320 FNSBEJDIPXHWDN-UHFFFAOYSA-N 420.727 6.175 0 40 HKAB CCOc1cc(C(=O)OC)cc(NC(=S)Nc2cccc(C(C)C)c2)c1OCC 71760714 PLRDUKMQMUYBSM-UHFFFAOYSA-N 416.543 5.203 0 40 HKAB COc1cccc(C(=O)N2CCC[C@@H](c3cc(Cc4ccccc4)cc(C)n3)C2)c1 72353804 WMJJBHFPILYESS-HSZRJFAPSA-N 400.522 5.009 0 40 HKAB CCOc1cccc(=O)c2c(C)n(-c3nc(-c4ccc(C)cc4)c(C)s3)c(C)c12 72370083 SEXHGFRDBSNLQV-UHFFFAOYSA-N 404.535 5.747 0 40 HKAB COC(=O)[C@H](CC(C)C)c1[nH]c2ccc(Cl)cc2c1CCNC(=O)OC(C)(C)C 77024490 FEPJKFQNYVJJSY-QGZVFWFLSA-N 422.953 5.191 0 40 HKAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCc5ccc(C)o5)cc34)co2)cc1 96154315 AWHVUIBRFFPSAQ-UHFFFAOYSA-N 413.433 5.290 0 40 HKAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(C(C)C)cc4)c(C)s3)C(=O)[C@H]12 141671696 YNPHMVQAAKOGKZ-QIJZPMMNSA-N 420.578 5.724 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc4ccccc4c3)N21 222710573 CKVQKPLVCNPPOJ-DCEDVJGZSA-N 424.573 6.005 0 40 HKAB O=C(COc1ccc2ccccc2c1)NCCSCc1ccc(Cl)cc1Cl 222832267 IHJAKQWCNLQTPD-UHFFFAOYSA-N 420.361 5.575 0 40 HKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc2c(c1)CCCC2 223103362 XZJJCTXBASVCQG-AREMUKBSSA-N 404.598 5.353 0 40 HKAB CC1CCN(c2ccc(NC(=S)NCc3ccc(-c4ccccc4)o3)cn2)CC1 223910907 OLWRVFGOHVINBY-UHFFFAOYSA-N 406.555 5.065 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccccc1C 224371903 HDHWLIFFYCUFHN-UHFFFAOYSA-N 403.522 6.348 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1cccc(C)c1 224383866 XNAZMKCNDMMIGI-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1cc(C)cc(C)c1 224532897 XYNXQJNHEPBSBB-UHFFFAOYSA-N 411.448 5.812 0 40 HKAB CC1(C)COc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2OC1 225361112 AQJITJZSIWBXPG-UHFFFAOYSA-N 401.506 5.327 0 40 HKAB CCCO[C@@]1(C(=O)Nc2ccc(OCCN3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225663117 IOWJIHRAIYEEDN-OTPAQWSUSA-N 416.606 5.111 0 40 HKAB O=C(NCCOc1ccccc1Cl)c1cccc(OCc2ccccc2Cl)c1 225780857 FFGHWZRUXFQJEH-UHFFFAOYSA-N 416.304 5.381 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c2cccnc12 225867358 LCUJKPPUOUTOGJ-UHFFFAOYSA-N 402.538 6.173 0 40 HKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cc(F)cc(F)c2)C1 257274736 NMKFWDKFGKVDCQ-VWPQPMDRSA-N 423.887 5.122 0 40 HKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccccc2Sc2ccccc2)S1 260753185 BPSSCIFRCNXIPC-URZJWIJPSA-N 403.576 5.822 0 40 HKAB COc1cc(C(=S)NCCc2ccccc2)ccc1OCc1ccccc1Cl 408574342 LXWYUSGJAWIMFM-UHFFFAOYSA-N 411.954 5.435 0 40 HKAB CN(C)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 408624756 ZRQGDMMAWDGSHW-FMIVXFBMSA-N 401.293 5.971 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccccc2)cc1 408697601 IJVYARUTXPEEED-UHFFFAOYSA-N 418.884 5.239 0 40 HKAB Cc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)c1 409111768 DWWPQSOAAQXMQE-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCC3)cc1 409113529 GQASKIZMEUHSBJ-UHFFFAOYSA-N 418.562 6.057 0 40 HKAB COc1cc(C)c(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1C(C)C 409193252 HXDMWZUFNLNGFH-YBFXNURJSA-N 401.915 6.021 0 40 HKAB Cc1ccc(Cl)c(OC[C@@]2(O)CCCN(Cc3ccc(C(C)C)cc3)CC2)c1 585270974 DBJIDIHZRCBUDW-XMMPIXPASA-N 401.978 5.568 0 40 HKAB CCCN1CCCCCCCN(C(C)=O)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643583435 UIGKOWXZYTWUKL-VWNXMTODSA-N 414.590 5.041 0 40 HKAB CCc1ccc(-n2nc3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3n2)cc1 678717 JGBSVPPOGUOBJS-UHFFFAOYSA-N 411.292 5.542 0 40 HKAB CCc1ccccc1NC(=O)CSc1ncnc2c(-c3ccc(F)cc3)nsc12 896150 VUXRMYCSLLEUGG-UHFFFAOYSA-N 424.526 5.186 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C)C3 947710 UCKAKKDFKKMMLZ-GFCCVEGCSA-N 407.564 5.581 0 40 HKAB COC(=O)c1ccc(COc2ccc3c(=O)c(Oc4ccc(C)cc4)coc3c2)cc1 957168 MMPMHBSEFSFBEE-UHFFFAOYSA-N 416.429 5.259 0 40 HKAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1 1006540 YVHGTOOEISXGEW-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3ncnc(SCC(=O)c4cccs4)c23)C1 1223138 QAXBEYPSBSJVRE-GFCCVEGCSA-N 402.610 5.879 0 40 HKAB C[C@H]1CCCN(C(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C2CCCC2)C1 1340051 IILKUTLAFGZVDE-INIZCTEOSA-N 418.006 5.669 0 40 HKAB Cc1cc2cc(CN(C(=O)Nc3ccc(F)cc3)C3CCCCC3)c(=O)[nH]c2cc1C 1371141 WZZZHIOQWNRSKD-UHFFFAOYSA-N 421.516 5.651 0 40 HKAB Cc1cc(C)c2cc(CN(Cc3cccs3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1 1371281 JWMZNXNPSKSEIC-UHFFFAOYSA-N 417.534 5.441 0 40 HKAB Cc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(C)cc23)cc1 2078768 CJEMARXBHKPUNC-UHFFFAOYSA-N 423.512 6.175 0 40 HKAB O=C1c2ccccc2N[C@@H](c2cc3ccccc3nc2Cl)N1c1ccc(Cl)cc1 2171937 FARTZEBHVMZCSJ-JOCHJYFZSA-N 420.299 6.313 0 40 HKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CC[C@@H](c3ccccc3)C2)c(C(C)C)c1 2376517 XUONMUDHPABBKZ-OAQYLSRUSA-N 413.627 6.235 0 40 HKAB O=c1oc2c(Cl)cc(Cl)cc2c(-c2ccc(Cl)cc2)c1-c1ccccc1 2576853 VCHCHYLMUHUDNN-UHFFFAOYSA-N 401.676 7.087 0 40 HKAB biogenic CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1cccc(C)c1 2655561 POSISDTULSDZEE-UHFFFAOYSA-N 413.546 5.915 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccccc1)Cc1ccccc1 2740116 LZQYEJWXWRVJTL-KRWDZBQOSA-N 414.332 5.990 0 40 HKAB COc1ccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 2887584 LWYJANJUIKPXBE-UHFFFAOYSA-N 422.337 5.100 0 40 HKAB CC1=C[C@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]1[C@H]2C 4025926 FSFRMGYTTNBARV-MTNSXBBWSA-N 420.505 5.178 0 40 HKAB biogenic CCOCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 4030202 AVXULQZSPUSULE-KPSKLQJESA-N 404.554 5.140 0 40 HKAB COC(=O)C[C@H](c1ccccc1)[C@H](SCc1ccccc1)[C@H](O)c1ccccc1 4113996 CYKNIQPTNMENKI-GPXOXTDOSA-N 406.547 5.369 0 40 HKAB Cc1ccc(CSc2cn(CCNC(=O)c3ccc(F)cc3)c3ccccc23)cc1 4192503 IFCYHDSBUVUYLJ-UHFFFAOYSA-N 418.537 5.811 0 40 HKAB CC(C)(C)C(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCCC2 4548983 QIODMAPWIDSCMO-UHFFFAOYSA-N 404.963 5.907 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 4558296 PJZCLMWXQSVORL-UHFFFAOYSA-N 421.946 5.171 0 40 HKAB CC(C)(C)c1cc(CN2CCC(C(=O)NC3CCCC3)CC2)cc(C(C)(C)C)c1O 4699176 KAMDYDMGGFJGOC-UHFFFAOYSA-N 414.634 5.258 0 40 HKAB C[C@@H]1N(C(=O)Nc2ccc(Cc3ccc(NC(=O)N4[C@@H](C)C4(C)C)cc3)cc2)C1(C)C 4722674 QCENSHYDVVBAGD-ABRRJZJYSA-N 420.557 5.307 0 40 HKAB CCN(CCCNc1nc2ccccc2c2nc(-c3ccccc3)nn12)c1ccccc1 4910783 GPSSUGZBGAWGQX-UHFFFAOYSA-N 422.536 5.273 0 40 HKAB C[C@@H]1C[C@@H](C)CN(c2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn23)C1 4980478 CKMJQVOTLMVOEC-QZTJIDSGSA-N 400.501 5.685 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 5383385 HONOKMUVEQPOAM-DUAVJIPNSA-N 412.614 6.256 0 40 HKAB Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@H]2c2ccsc2)c(C)c1 5451467 SJGFVRHSMGBTJU-HSZRJFAPSA-N 404.535 5.103 0 40 HKAB C[C@@H](NCc1ccccc1OCc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 6176144 BTTYENKYJUWTRW-DKERFCRFSA-N 410.001 6.614 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 6229579 KLZJGOYSAZKOBX-UHFFFAOYSA-N 413.260 6.063 0 40 HKAB O=C(COc1ccc(C2SCCCS2)cc1)OCc1nc2ccccc2s1 6605928 BEXSHPSJZQNVMB-UHFFFAOYSA-N 417.577 5.287 0 40 HKAB Cc1cccc(COc2ccc(/C=C3/N=C(c4ccc(C)c(Cl)c4)OC3=O)cc2)c1 6867422 QJSFKXWRRGQXTK-YDZHTSKRSA-N 417.892 5.880 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 7080142 PPBBDQNBEHIEJL-INIZCTEOSA-N 408.523 5.531 0 40 HKAB CCOc1ccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1OC 7280280 PDMSPDDRSQBLBO-XMMPIXPASA-N 400.478 5.611 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4)C3)cc2)cc1 7882429 RZZXNMHOQMENRS-LJQANCHMSA-N 400.478 5.087 0 40 HKAB CC(C)[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(F)cc1 8003883 FHPJRVUWDOFEPD-XMMPIXPASA-N 419.500 5.003 0 40 HKAB O=C(CSc1ccc2ccccc2c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8229904 JAIKYYKDCRGLLM-QFIPXVFZSA-N 419.546 5.457 0 40 HKAB CN(Cc1ccsc1)C(=O)CSc1ncnc2sc(-c3ccccc3)cc12 8325410 PLRGSIPQCMFKSI-UHFFFAOYSA-N 411.577 5.171 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(Cc1cccnc1)C3=O 8846260 IJBSQLIUTWYOBI-XMMPIXPASA-N 424.500 5.365 0 40 HKAB O=C1Nc2cc(Cl)ccc2Oc2ccc(NC(=O)c3c(F)cccc3F)cc21 9135167 VBGCPSYYVJGIQL-UHFFFAOYSA-N 400.768 5.229 0 40 HKAB COc1ccc(Br)c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 9252921 BKCGAZSXLLVUOV-UHFFFAOYSA-N 423.719 5.487 0 40 HKAB C[C@H](Sc1nnc(-c2ccccc2)o1)c1nc(-c2cccc(C(F)(F)F)c2)no1 10769026 AOTTZQADZVSVQW-NSHDSACASA-N 418.400 5.659 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCc3cc(-c4ccco4)on3)c3c(C)noc3n2)cc1 12178044 FFRKJTSMTZNQOG-UHFFFAOYSA-N 415.405 5.112 0 40 HKAB O=C(CSc1nc2ccccc2s1)OCC(=O)c1ccc(-c2ccccc2)cc1 12469057 LWGBGJWDYRSMMD-UHFFFAOYSA-N 419.527 5.482 0 40 HKAB CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2cccc3ccccc23)cc1 13030880 FRIKOFACCYBNAI-QFIPXVFZSA-N 418.584 7.588 0 40 HKAB C[C@H](OC(=O)c1ccc2ccccc2c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 13148550 UECCNJBZJPJZLE-LBPRGKRZSA-N 421.802 5.696 0 40 HKAB Cc1ccc(Nc2nc(CSc3ncnc4sc5c(c34)CCCC5)cs2)cc1 13148720 XYOBMLHJWFHTDA-UHFFFAOYSA-N 424.620 6.371 0 40 HKAB O=P(Nc1ccc(Br)cn1)(Oc1ccccc1)Oc1ccccc1 13283278 NJADDKJSJGAQAT-UHFFFAOYSA-N 405.188 5.522 0 40 HKAB CC(=O)c1ccccc1NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 14378710 YBWLIJZLRXBNHM-UHFFFAOYSA-N 407.470 5.049 0 40 HKAB Fc1ccc2[nH]cc(CCNC(=S)Nc3ccc(Oc4ccccc4)cc3)c2c1 17083178 VBLPUJCAMBMXLO-UHFFFAOYSA-N 405.498 5.628 0 40 HKAB Cc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 17091188 FYEPPBTXIKQDKM-UHFFFAOYSA-N 417.559 5.707 0 40 HKAB COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 18516388 JTTQALHHWVTGFQ-CYBMUJFWSA-N 421.444 5.019 0 40 HKAB O=C(c1cccc2cccnc12)N1CCC[C@H]1c1ccc(Cc2ccccc2F)cn1 19687898 KLDBNDWGIOFUMC-DEOSSOPVSA-N 411.480 5.337 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 20451078 MADWJGCKNNXRLK-IBGZPJMESA-N 421.562 5.747 0 40 HKAB Cc1ccccc1[C@@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 20458142 IYNFRSATNAJXRD-NRFANRHFSA-N 420.361 5.511 0 40 HKAB OC1=Nc2ccccc2CC[C@H]1Sc1nnc(-c2ccccc2Br)o1 20725162 QBDMNJPJEBGDAJ-OAHLLOKOSA-N 416.300 5.194 0 40 HKAB CC(C)(C)c1ccc(O)c(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)c1 21899268 USTCHTJPGLIBLL-UHFFFAOYSA-N 412.493 5.190 0 40 HKAB O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccccc1C(=O)c1ccccc1 22142822 SQTCAYBRPUUXKH-UHFFFAOYSA-N 424.525 5.857 0 40 HKAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)o2)cc1 23680722 LQRAVQXTAFRUIK-UHFFFAOYSA-N 406.438 5.664 0 40 HKAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCC[C@H]1c1cccs1 24884820 NVECDNQAQRCQEG-NRFANRHFSA-N 417.534 5.041 0 40 HKAB C[C@@H]1CCCC[C@@H]1Nc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 25397574 WXIRFYHJNRISRN-XLIONFOSSA-N 422.598 5.181 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1ccccc1OCc1nc(-c2ccccc2)no1 32578523 CLOZKRYKMSCKLO-UHFFFAOYSA-N 405.841 5.221 0 40 HKAB CCCOc1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)c2cccnc12 32624719 ITPUKOIMECNMQF-UHFFFAOYSA-N 408.841 5.036 0 40 HKAB c1ccc(COc2ccc(OCOc3ccc(OCc4ccccc4)cc3)cc2)cc1 34105335 OEXNMTHLDASCGL-UHFFFAOYSA-N 412.485 6.260 0 40 HKAB CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1[C@@H](O)c1ccccc1F 34654714 ZHFUSBZXTDCTPY-INIZCTEOSA-N 401.356 5.153 0 40 HKAB O=C(CSc1nnc(-c2ccc(Cl)s2)o1)Nc1ccc(C(F)(F)F)cc1 35586247 KASVWNCEUSWCRP-UHFFFAOYSA-N 419.837 5.201 0 40 HKAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(C(F)(F)F)c2)c(OC)c1 36357595 UALGECCDZHLWEQ-MRXNPFEDSA-N 417.387 5.032 0 40 HKAB O=C1C[C@@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1cccc(Cl)c1Cl 36635866 HFZMVAHURUJMKB-GFCCVEGCSA-N 404.080 5.044 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(Cn2ccnc2)cc1 38860862 VAISUHYHNZHCBQ-UHFFFAOYSA-N 403.869 5.629 0 40 HKAB Cc1ccc(-c2noc(CCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1 41001911 ZQVVLKDONMLDPO-UHFFFAOYSA-N 409.795 5.289 0 40 HKAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1 44875001 BSVUOQILTIEQSN-UHFFFAOYSA-N 414.549 5.182 0 40 HKAB C=Cc1ccc(CSc2nccn3nc(-c4ccc(OCCCC)cc4)cc23)cc1 45925401 IWQFERREVBDSJH-UHFFFAOYSA-N 415.562 6.511 0 40 HKAB Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccccc3Cl)n2)c1 46012043 SKOWQNOZYKWVCG-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB Cc1ccc(C)c(/C=C/c2ccc(-c3ccc(/C=C/c4cc(C)ccc4C)cc3)cc2)c1 55048332 AMDSCXLLKXHWOJ-IWGRKNQJSA-N 414.592 8.928 0 40 HKAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccc(C)cc2C)nc1 67295173 KDYDUFRRCHXFHT-PNHLSOANSA-N 417.896 5.891 0 40 HKAB Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 72349866 ZEJGYJTYJSCNTL-QGZVFWFLSA-N 411.958 5.111 0 40 HKAB CC(C)c1cc(Br)c2oc(-c3ccc(Br)cc3F)nc2c1 73638246 VZXQMRZYDANKBB-UHFFFAOYSA-N 413.084 6.282 0 40 HKAB COc1cccc(OC)c1Oc1ccc(CN[C@H](c2ccc(C)o2)C2CCCC2)cn1 95462783 DLIHIGOQRLFVTN-DEOSSOPVSA-N 422.525 5.814 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 103718094 XJLYUHVTNUNASG-SNVBAGLBSA-N 417.214 5.004 0 40 HKAB COc1cccc(CC[C@@H]2CCCCN2C(=O)Cc2c(C)[nH]c3c(C)cc(C)cc23)c1 141534801 WNRZPXPIHFXWLT-QFIPXVFZSA-N 418.581 5.658 0 40 HKAB O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1Cc1c(Cl)cccc1Cl 214818548 RKKZTPGHCDYWIB-CAOOACKPSA-N 403.290 5.711 0 40 HKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(C4CCCCC4)c3C)N21 222693455 NFOOPFNIKALYIL-OFAXGOBFSA-N 408.615 5.985 0 40 HKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 222911271 KNTHUPXIJCCWGP-LEWJYISDSA-N 410.974 5.154 0 40 HKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 222977741 FPLPRNLQNRFRNE-OAQYLSRUSA-N 422.613 5.250 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 223032562 PPIFXDFZZXTFSJ-VQTJNVASSA-N 417.933 5.233 0 40 HKAB CCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1Cl 223719542 ZLNIZDKPIWZFEY-UHFFFAOYSA-N 405.932 5.135 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccc(Cl)cc1 224157598 SNHGGKZJOPPWPF-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224158686 XTLHYQFMEUYORJ-RPWUZVMVSA-N 410.546 5.358 0 40 HKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccccc1Cl 224525048 MSKTZZXNOZDEOB-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 224529806 JVARUHZJYKRUHX-UHFFFAOYSA-N 415.902 5.093 0 40 HKAB C[C@@H](CNC(=O)C1CCN(Cc2cccc(Cl)c2Cl)CC1)c1ccccc1 224540870 JUECYLQGAOMZID-INIZCTEOSA-N 405.369 5.125 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2OC(C)C)cc1 224585527 XGFRUGHWZWRISZ-QNGOZBTKSA-N 420.534 5.253 0 40 HKAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCSCc1c(F)cccc1Cl 224971778 LBQYLUSOVJBHND-UHFFFAOYSA-N 413.945 5.738 0 40 HKAB Nc1c(-c2ccc(Br)cc2)c(C(F)(F)F)nn1-c1ccc(Cl)cc1 225181648 IPIRFAPFBPXHJP-UHFFFAOYSA-N 416.628 5.556 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 225219383 LKIUCMXXMKPDPR-UHFFFAOYSA-N 401.919 5.174 0 40 HKAB O=C(Nc1ccc(OCCN2CCCCCC2)cc1)C1(c2ccccc2)CCCC1 225503874 ZERVUFDSTZOSCG-UHFFFAOYSA-N 406.570 5.392 0 40 HKAB COC(=O)c1cc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)ccc1Cl 225660227 LFNFZPMRAIVGRI-AWEZNQCLSA-N 404.963 5.169 0 40 HKAB CCOC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c1C 225700300 WANCIOTYWIOVOM-QHCPKHFHSA-N 418.562 5.556 0 40 HKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1cccc(C(F)(F)F)c1 225828603 XWAODJGJYPVPRT-UHFFFAOYSA-N 411.383 5.480 0 40 HKAB Nc1nc2c(Br)cc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1 226310562 SZXCERUXEMPFBM-UHFFFAOYSA-N 417.115 5.200 0 40 HKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 408579555 HUNBAMMGKGCESX-UHFFFAOYSA-N 414.530 6.726 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccc(F)cc2)c1 408697093 HHJQBPGXKXXNJM-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2cc(Cl)ccc2C)cc1 408699012 QVNKXYJROLAHNR-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB COc1ccc2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(C)nc2c1 408713487 BMFXAMSTRXOZHR-UHFFFAOYSA-N 418.880 6.250 0 40 HKAB O=C(CSc1cccc2cccnc12)Nc1ccc(Cl)c(Br)c1 409006337 IYRAPNCOMAJSJO-UHFFFAOYSA-N 407.720 5.382 0 40 HKAB CCc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccncc2)cc1 409101888 BVDIAVMVRDHUJH-UHFFFAOYSA-N 400.551 5.617 0 40 HKAB CCOc1ccc(CCC(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1 530458572 CKZGLHDWPVVDRU-HSZRJFAPSA-N 421.516 5.301 0 40 HKAB CC(=O)c1ccc(Oc2ccc(C(=O)N3C[C@@H](C)O[C@H](c4ccsc4)C3)cc2)cc1 534810208 PLYHIXKKNOQLAS-MWTRTKDXSA-N 421.518 5.345 0 40 HKAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cccc(Cl)c1 606422439 HKVZBSXIRDLEJO-UHFFFAOYSA-N 405.860 5.262 0 40 HKAB Brc1ccccc1-c1nn2c(CSCc3ccccc3)nnc2s1 1501040378 NNKBUIALEVNFPC-UHFFFAOYSA-N 417.357 5.049 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccs2)sc(C)c1-c1ccc(OC)cc1 723883 OTZVVYLHKLJRMR-UHFFFAOYSA-N 401.509 5.223 0 40 HKAB Cc1sc2c(c1C)C(c1ccccc1Cl)=NCC(=O)N2CC(=O)c1ccccc1 930315 PQNGGAMKVSNNBC-UHFFFAOYSA-N 422.937 5.085 0 40 HKAB Cc1ccccc1COc1ccc2c(=O)c(Oc3ccccc3C(C)C)coc2c1 1915210 RPQFDUQOTSTAFD-UHFFFAOYSA-N 400.474 6.596 0 40 HKAB O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(Cl)cc1Cl 2055623 SNWBKOPKPZQTPI-UHFFFAOYSA-N 417.679 6.707 0 40 HKAB Fc1ccc([C@H]2C3=C(N=C4SC=C(c5ccccc5)N42)c2ccccc2CC3)cc1 2344276 WKWGMGBRMLEORL-VWLOTQADSA-N 410.517 6.641 0 40 HKAB COc1ccc(-c2cn3c(C(C)=O)c(-c4ccc(Cl)cc4)c4c3n2CCCC4)cc1 2413759 IHLIHUJAMRIQQL-UHFFFAOYSA-N 418.924 6.276 0 40 HKAB Cc1cccc(-n2ccnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)c1C 2723079 RWBAEZRZTOMEBR-UHFFFAOYSA-N 405.445 5.239 0 40 HKAB Cc1cccc(C(=O)Nc2ccc3nc(NC(=O)c4cccc(C)c4)sc3c2)c1 3194623 NFBPUEOBNHFSPY-UHFFFAOYSA-N 401.491 5.418 0 40 HKAB CC(C)(C)c1cc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)cc(C(C)(C)C)c1 3219421 SIRLJUZAOYEUBZ-UHFFFAOYSA-N 415.961 5.408 0 40 HKAB CC(C)CN(C(=O)C1c2ccccc2Oc2ccccc21)c1nc2ccccc2s1 3259379 YLVTYWVVEQXXDR-UHFFFAOYSA-N 414.530 6.223 0 40 HKAB CC(C)c1ccccc1NC(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl 3281074 HMIXIAOCNZYQCI-UHFFFAOYSA-N 400.689 5.566 0 40 HKAB Cc1cc2nn(CN(C)Cc3ccc(OC(F)F)cc3)c(=S)n2c2ccccc12 3387678 HLAMPZQRACNNLC-UHFFFAOYSA-N 414.481 5.018 0 40 HKAB C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)N[C@H](C)c1ccc(F)cc1 3457397 WTTNNYVIQCXPET-NXEZZACHSA-N 406.832 5.251 0 40 HKAB Cc1ccc(NC(=O)CSc2cn(Cc3cccc(F)c3)c3ccccc23)c(C)c1 3581605 UUMAGACPHOADDC-UHFFFAOYSA-N 418.537 6.176 0 40 HKAB CCCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1 3655433 FGESYTHINNIMNP-UHFFFAOYSA-N 417.436 5.844 0 40 HKAB Cc1cc(C)c2c3ccccc3n(CCNC(=S)Nc3ccc(Cl)cc3)c2n1 3765456 ZPVANWXMGNAMMA-UHFFFAOYSA-N 408.958 5.446 0 40 HKAB Cc1ccc(C)c(Cn2c([C@@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)c1 4033505 RYLZSQNAIGMYQG-HSZRJFAPSA-N 409.533 5.218 0 40 HKAB Brc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](C1CCCCC1)O2 4309590 HQHCOJNMGMIBAG-RBBKRZOGSA-N 411.343 5.899 0 40 HKAB c1ccc(CN2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4ccccc4)=NN23)cc1 4424530 PYVDJLMUDDGXHA-VWLOTQADSA-N 409.533 5.222 0 40 HKAB O=C(CSc1cccc2cccnc12)Nc1nc2c(ccc3ccccc32)s1 4558082 ZXYUABBCZMABDK-UHFFFAOYSA-N 401.516 5.729 0 40 HKAB COc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)c(OC)c1 4611829 FCBASLNVAPOEMB-IRXDYDNUSA-N 404.510 5.037 0 40 HKAB COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 4816715 YATZGNAQYOJECJ-SFTDATJTSA-N 424.932 5.054 0 40 HKAB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4cc5ccccc5o4)ccc3o2)cc1 5632606 HNRIJTIOXSDKEC-UHFFFAOYSA-N 410.473 6.791 0 40 HKAB CCOc1cc2c(cc1[C@@H](C)c1ccc(OCc3ccccc3)c(OC)c1)OCO2 5841432 AEWCRSLKHLNMAM-KRWDZBQOSA-N 406.478 5.553 0 40 HKAB c1nc(Nc2ccc(-c3nnc4n3CCCCC4)cc2)c2c3c(sc2n1)CCCC3 5939378 HVRYVEBRFXBIAK-UHFFFAOYSA-N 416.554 5.299 0 40 HKAB O=C(COc1ccccc1Cl)Nc1nc(-c2ccco2)c(-c2ccco2)s1 6218349 SHDVJOTXOQRBMY-UHFFFAOYSA-N 400.843 5.334 0 40 HKAB C[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 6416302 PPUSDFQWABGPBS-DKODJIDWSA-N 410.561 6.237 0 40 HKAB O=C(Oc1ccc(-c2onc3ccc(Cl)cc23)cc1)c1ccc2c(c1)OCCO2 6509225 RHXKQLOFGZKUIE-UHFFFAOYSA-N 407.809 5.139 0 40 HKAB Cc1noc(C)c1CSc1ncccc1C(=O)N(C)c1ccc2ccccc2c1 6609261 KDBJKGHVPCVNRR-UHFFFAOYSA-N 403.507 5.409 0 40 HKAB C[C@@H](c1ccccc1)n1c([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 7544645 HCXUXOIXTWRHDU-HKUYNNGSSA-N 415.924 5.820 0 40 HKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)cc1 7881818 JHZAJTZQTFMFER-IBGZPJMESA-N 400.478 5.087 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1 8041456 SOHUQUSQZWJNMQ-KRWDZBQOSA-N 407.897 5.594 0 40 HKAB C=CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC 8113351 CGCBEUJNZPHKGR-XDHOZWIPSA-N 415.898 5.150 0 40 HKAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1 8961186 STPDDPYVMLXAFY-UHFFFAOYSA-N 422.506 5.143 0 40 HKAB Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3ccccc3Cl)n2)c1 9134752 WEJXQHDEDLNYIQ-UHFFFAOYSA-N 404.322 5.636 0 40 HKAB COc1cccc(-c2nnc(SCc3ccccc3C)n2-c2ccc(Cl)cc2)c1 9309530 IMUIKLYRKSDKDU-UHFFFAOYSA-N 421.953 6.197 0 40 HKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)C(C)C)n(Cc2ccc(F)cc2)c1C 9421445 RBKKYEMRDIDVRN-UHFFFAOYSA-N 404.489 5.430 0 40 HKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SC[C@H](O)c2ccccc2)c(C)c1 10227581 DMOXRACLQXMHFT-QHCPKHFHSA-N 415.562 5.301 0 40 HKAB Cc1cc(C(=O)Nc2cccc3ccccc23)ccc1NS(=O)(=O)c1ccccc1 10314852 WOEJYTABGUBVCN-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 12376874 LMCRXJVONPQBGR-UHFFFAOYSA-N 409.272 5.963 0 40 HKAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl)O[C@@H](C)C2 12565057 XMRNUFCSVBMJSP-RYUDHWBXSA-N 409.313 5.155 0 40 HKAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(CSc3nc(C)cs3)cc2)cc1 12916749 HOHLNFRKHIYIRN-NRFANRHFSA-N 424.591 5.730 0 40 HKAB COc1ccc([C@@H]2CN(C)C[C@@H]2C(=O)c2ccc(C3CCCCC3)cc2)cc1Cl 13396436 LSZXSJRLEMPHQV-VXKWHMMOSA-N 411.973 5.924 0 40 HKAB Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1 15438776 OVVFSESMWNTBAE-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(Nc1cccc2ccccc12)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 15600488 JRGRYGBBBUWHCO-UHFFFAOYSA-N 420.465 5.032 0 40 HKAB Cc1cccc(C)c1OCCCn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 15833672 RHEUQTWPQQSDEC-LJQANCHMSA-N 417.509 5.206 0 40 HKAB Cc1ccccc1-c1nc2c3c(C)c(C)n(-c4nc5ccccc5s4)c3ncn2n1 15842385 FLFXACDDZYYTKC-UHFFFAOYSA-N 410.506 5.270 0 40 HKAB CCCCN(CCCC)C(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 15881091 VQMORHCHDYJVMS-UHFFFAOYSA-N 409.570 6.022 0 40 HKAB O=C(COc1ccc(Cl)cc1)OCc1ccc(-c2cccc(Cl)c2Cl)o1 17089036 HOKYFXWROWEQNC-UHFFFAOYSA-N 411.668 6.029 0 40 HKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 17093491 CPZGMOHYDKVESY-INIZCTEOSA-N 423.354 6.233 0 40 HKAB COc1cccc(CC(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)c1 19691114 XUHRFPSXFNNPKP-UHFFFAOYSA-N 400.522 5.014 0 40 HKAB COc1ccc(S[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC 20105762 NEVQHRBHOSYOSJ-JTQLQIEISA-N 419.852 5.495 0 40 HKAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1-c1ccc(CO)o1 20144721 FXZBHFFQZKHNSP-CYBMUJFWSA-N 420.292 5.460 0 40 HKAB COc1ccc(CN(C)C(=O)c2ccccc2SCc2ccccc2)cc1OC 20459435 LRXPJTSRQVIHAR-UHFFFAOYSA-N 407.535 5.268 0 40 HKAB O=C(Cc1csc(-c2ccccc2Cl)n1)N(Cc1ccc(F)cc1)C1CC1 25048901 MFNOEUQFIZUWNZ-UHFFFAOYSA-N 400.906 5.336 0 40 HKAB Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCCc4cc(F)c(F)cc43)c12 31927602 VJVVQKVJBCISKW-UHFFFAOYSA-N 411.433 5.131 0 40 HKAB COc1ccc([C@H]2CCCCCN2C(=O)c2sc3nc(C)nc(C)c3c2C)cc1 32754587 IONSYZPJTIAQMC-LJQANCHMSA-N 409.555 5.383 0 40 HKAB CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 35951549 WHDOUJQENVFTIX-BOPFTXTBSA-N 418.312 5.084 0 40 HKAB COc1ccc(C2=NN3[C@H](c4ccc(F)c(F)c4)Oc4ccc(OC)cc4[C@H]3C2)cc1 36352263 VVFXCDVAXIXGDV-VWNXMTODSA-N 422.431 5.224 0 40 HKAB Cc1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)N2C[C@@H](C)C[C@@H](C)C2)cc1 36370415 RWUUYEFLSSWUDM-JTDSTZFVSA-N 422.554 5.132 0 40 HKAB Cc1cc(C(=O)Nc2ccccc2C(C)C)c2c(C)nn(-c3ccc(F)cc3)c2n1 36616688 FLBLATSJYDUYLK-UHFFFAOYSA-N 402.473 5.552 0 40 HKAB Cc1c(Cl)cccc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 38849633 GYGKOCXDBCIZAK-UHFFFAOYSA-N 421.766 5.262 0 40 HKAB COc1ccccc1C(=O)Nc1nc(-c2ccc(Br)cc2)c(C)s1 40967812 YJIHNAWPQNWXLI-UHFFFAOYSA-N 403.301 5.142 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(Br)cc2)[nH]n1 44837464 NEXWHEDMOUWVLT-UHFFFAOYSA-N 410.193 5.110 0 40 HKAB CN(C(=O)COc1ccc(C2SCCCS2)cc1)c1nc2ccccc2s1 55336315 KBNZLQLYBSJHTD-UHFFFAOYSA-N 416.593 5.207 0 40 HKAB O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1cccc(CSc2ccccn2)c1 58098252 MLYNMNTYNYIXHW-OUKQBFOZSA-N 412.518 5.212 0 40 HKAB O=[S@](CCSc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccccc1 60709848 LFEZDMXFRDBJBK-MHZLTWQESA-N 414.552 5.397 0 40 HKAB CNC(=S)N1N=C(c2ccccc2C)C[C@H]1c1cc2ccc(C)cc2nc1Cl 71924209 IRGMGCSYOGLEJF-FQEVSTJZSA-N 408.958 5.160 0 40 HKAB O=C(CCCc1ccc(F)cc1)N1CCC[C@H](c2ccc(Nc3ccccn3)cn2)C1 72353415 KOYNUVDMBBVRDX-FQEVSTJZSA-N 418.516 5.088 0 40 HKAB Cc1ccc([C@@H](c2ccccn2)N(C)Cc2cccc(SC(=O)N(C)C)c2)cc1 95964443 KWLBDSFGWMRXKZ-QHCPKHFHSA-N 405.567 5.385 0 40 HKAB CC(C)n1cnc2c(N3CCCC3)nc(C3CCN(Cc4ccc(F)cc4)CC3)cc21 96155632 SKBFGTORYWUUPM-UHFFFAOYSA-N 421.564 5.131 0 40 HKAB Cc1ccc(-n2s/c(=N/C(=S)Nc3ccccc3)nc2-c2ccccc2)cc1 100691769 DLWDRALSSVYVJJ-YYDJUVGSSA-N 402.548 5.207 0 40 HKAB CC1(C)CC(=C2C=C[C@@H]3[C@@H]4C=C[C@@H](C4=C4CC(C)(C)NC(C)(C)C4)[C@@H]23)CC(C)(C)N1 101992661 JWTSWIHDBSKTDE-KHUIQGCPSA-N 406.658 6.079 0 40 HKAB Cc1ccc(COc2c(Cl)cc(C(=S)N3CCC(C)CC3)cc2Cl)cc1 107917900 HYFMLJKQUXQYTD-UHFFFAOYSA-N 408.394 6.288 0 40 HKAB Cc1ccccc1[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 216298390 YAMUSNSRVZFGRT-LJAQVGFWSA-N 405.541 6.423 0 40 HKAB COc1ccccc1[C@H](C)NC(=O)c1ccc(OCCSc2ccccc2)cc1 222780906 CZNJUOQXAYQTFL-SFHVURJKSA-N 407.535 5.357 0 40 HKAB Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1 222914854 GYHVNLGZMJVPFO-VXKWHMMOSA-N 423.607 5.763 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](c1ccccc1)c1ccccc1C 223073503 VTJWBTKPWIPABN-RRPNLBNLSA-N 413.561 5.937 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)COc2ccc(Br)cc2)cc1C(C)C 223327573 MLTJMQFXNCMFKP-HNNXBMFYSA-N 420.347 5.146 0 40 HKAB COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1cc(C)ccc1C 223675574 AQZQYKOTRDTAPO-UHFFFAOYSA-N 417.914 5.559 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 224238852 CMMCZZJADRNWMQ-HSZRJFAPSA-N 409.570 5.006 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1CSc1ccccc1 224332152 GQNBQALASSKGBC-INIZCTEOSA-N 411.954 6.132 0 40 HKAB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 225336820 PZQZROOHSWBEAG-XZOQPEGZSA-N 420.582 5.428 0 40 HKAB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C(=O)OC 225798273 JDWPVUNIUMEHNX-UHFFFAOYSA-N 407.551 5.068 0 40 HKAB CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3cccc(Br)c3)oc2c1 226283884 ZWCDWCNRCNJUAX-UHFFFAOYSA-N 413.193 5.173 0 40 HKAB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Sc2ccc(Cl)cc2)cc1 226398523 LAKVKYNDFCWXOZ-HUJIQXBTSA-N 407.922 5.049 0 40 HKAB C[C@H]1O[C@@H]2c3cc(CCC(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(Cl)cc1 257220277 DKFXBMWBWAGQJV-RSCRWXTISA-N 414.929 5.778 0 40 HKAB CCC[C@H]1O[C@H]2c3cc(OCc4ccccc4)ccc3OC(C)(C)[C@@H]2C[C@@H]1C(=O)O 257337064 YRFPRLGEOHTCSI-GNXKAVGDSA-N 410.510 5.384 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc4ccccc4c3)N21 260755954 CKVQKPLVCNPPOJ-ZPZUNKDASA-N 424.573 6.005 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4cccc(Cl)c4C)o3)N21 260784292 VQNNUKFXRYRTJM-RTOPAQNCSA-N 423.969 6.283 0 40 HKAB COc1cc(C(=S)NCc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1 408571871 CZVGZUYXKJOFIW-UHFFFAOYSA-N 411.954 5.701 0 40 HKAB CCc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 408621974 OCPCCOWICHMKLZ-UHFFFAOYSA-N 400.522 6.051 0 40 HKAB Cc1cccc(CSc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)c1 408751108 WMRAAJISGIKHQY-UHFFFAOYSA-N 424.978 6.803 0 40 HKAB CCOc1ccc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)c2ccccc12 408819476 YXLYHXJOFIQRAX-UHFFFAOYSA-N 423.945 5.963 0 40 HKAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3-c3ccccc3)n2C)cc1 409194383 KWQGROLFBUADFL-QPLCGJKRSA-N 414.530 5.479 0 40 HKAB COc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1ccccc1F 409204522 IAKMKBSBUDNBJO-UHFFFAOYSA-N 407.510 5.147 0 40 HKAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C1=O 409221191 MIYOVKFVNZLFGN-GZTJUZNOSA-N 422.333 6.019 0 40 HKAB O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2ccccc2F)N1c1ccccc1 409329344 DXQXUNFSJXBRSD-AREMUKBSSA-N 408.476 6.192 0 40 HKAB C[C@@H](c1ccccn1)N(C)C(=O)CSc1ncnc2scc(-c3ccccc3)c12 520940735 CXAZJWZLDRAJDH-HNNXBMFYSA-N 420.563 5.065 0 40 HKAB CCN1C(=O)c2cccc3c(NC(=O)CSc4ccc5ccccc5n4)ccc1c23 970910 CCGSCAKPCNADTN-UHFFFAOYSA-N 413.502 5.099 0 40 HKAB Cc1ccc2nc(-c3ccccc3)nc(S[C@H](C)C(=O)N3CCCCCC3)c2c1 1326127 BFVNYUIUMIGFNP-GOSISDBHSA-N 405.567 5.488 0 40 HKAB Cc1ccc(C)c2c(S[C@@H](C)C(=O)NCc3ccco3)nc(-c3ccccc3)nc12 1326134 QUPGYYVWDDAGDV-KRWDZBQOSA-N 417.534 5.304 0 40 HKAB Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(C)(C)C)sc3C)ccc21 1354314 ZXMJFHZIEQUPBR-UHFFFAOYSA-N 405.567 5.840 0 40 HKAB COC(=O)c1ccc(Oc2coc3cc(OCc4ccc(C)cc4)ccc3c2=O)cc1 1447913 NYRHCSOWGFASHU-UHFFFAOYSA-N 416.429 5.259 0 40 HKAB biogenic CCCCSc1ncnc2c1sc1nc(CCC)c3c(c12)CC(C)(C)OC3 1832607 OVLZKDVDDRCDNI-UHFFFAOYSA-N 401.601 5.936 0 40 HKAB CCc1sc(N(C(=O)Cc2ccccc2)c2ccc(F)cc2)nc1-c1ccccc1 2170691 OSBQCJAPWIRSKL-UHFFFAOYSA-N 416.521 6.419 0 40 HKAB CCOC(=O)[C@](CCC(=O)O)(CCC(C)C)c1csc(Nc2ccc(C)cc2)n1 2207834 PTAQPBKFVNCULW-QFIPXVFZSA-N 418.559 5.297 0 40 HKAB Cc1cc(C)n(-c2nc(NC3CCCCC3)c3c4c(sc3n2)COC(C)(C)C4)n1 2423144 GDLHPTSLQXHADJ-UHFFFAOYSA-N 411.575 5.090 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)CN[C@@H]4CCC[C@@H](C)[C@H]4C)cc3)sc2c1 2636215 WVIZROQDRHVFIV-MBOZVWFJSA-N 407.583 5.625 0 40 HKAB O=C(O)c1ccc([C@@H]2NC[C@@H](c3ccccc3Cl)c3c2[nH]c2ccccc32)cc1 2653518 XEPVZMXQAWUWOU-AVRDEDQJSA-N 402.881 5.344 0 40 HKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3cccc(C(F)(F)F)c3)cc12 3332657 XZSVJWDJIZYAEU-UHFFFAOYSA-N 402.397 5.633 0 40 HKAB Cc1cc(C(C)(C)C)ccc1OC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 3398978 ONWLOGPUYUBNOJ-UHFFFAOYSA-N 424.566 5.318 0 40 HKAB COc1ccc(C(=O)c2ccccc2)c(OCc2nnc(-c3ccc(Cl)cc3)o2)c1 3403735 JAWWSBTTWKZSSI-UHFFFAOYSA-N 420.852 5.209 0 40 HKAB Cc1ccc(C)c(Cn2cc(SCC(=O)NCc3ccco3)c3ccccc32)c1 4059752 MGKLYWPGEXUWDB-UHFFFAOYSA-N 404.535 5.308 0 40 HKAB CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1 4458519 CWCBHOVPXMSJGK-ULJHMMPZSA-N 411.501 5.908 0 40 HKAB CC(C)[C@H]1CC[C@H](C)c2c(-c3ccccc3)nn(C(=O)/C=C/c3ccc(Cl)cc3)c21 4671436 QRWRYXXMXYBSTM-UPFQJRRLSA-N 418.968 7.194 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1 5673433 BXQNVEWEZIONFU-UHFFFAOYSA-N 400.478 6.269 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)c(C)c4)ccc3o2)cc1C 5684428 ONUYQXHCMKFWOX-UHFFFAOYSA-N 420.896 6.091 0 40 HKAB CCc1ccc2oc(-c3cccc(NC(=O)COc4ccccc4Cl)c3)nc2c1 6168946 AUHALXQYJJORJK-UHFFFAOYSA-N 406.869 5.728 0 40 HKAB C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)NCc1cccs1 7635660 BOBZBWKWCCQZDI-HNNXBMFYSA-N 405.548 5.155 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8106069 OXBIAEFDDIYHMD-LSDHHAIUSA-N 400.931 5.123 0 40 HKAB C[C@H]1CCc2c(sc3ncnc(Sc4nnc(-c5ccccc5Cl)o4)c23)C1 8199036 YZGFCCUDNNVGNZ-JTQLQIEISA-N 414.943 5.671 0 40 HKAB Clc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)CC2)cc1 8855394 AHNALRAMTSQXPD-UHFFFAOYSA-N 420.771 6.417 0 40 HKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccnc1Cl 8920551 CMCKHDUXYQYTGL-UHFFFAOYSA-N 421.884 5.928 0 40 HKAB CCCCNc1nc(Nc2ccc(OCC)cc2)c2cnn(-c3ccccc3)c2n1 9573566 XFXVPCGBQROECF-UHFFFAOYSA-N 402.502 5.170 0 40 HKAB COc1ccc(SCCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 10032367 OMQQSFDFLZYKJB-UHFFFAOYSA-N 414.552 5.257 0 40 HKAB CCn1nccc1C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[C@H](C)C2 11695982 BHGBPHNVBUVYDR-ZDUSSCGKSA-N 422.579 5.618 0 40 HKAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccc(Cl)c(Cl)c1 12178538 IIZFDFVYLSEANR-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB COc1ccc(NC(=O)[C@H](N[C@@H](C)c2cccs2)c2ccccc2)cc1Cl 12974413 CZNBVKLUCXWFJV-VBKZILBWSA-N 400.931 5.441 0 40 HKAB CC(=O)N(c1nc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cs1)c1ccccc1F 13095238 QXVFUNXHDQOSCL-OQLLNIDSSA-N 413.861 5.113 0 40 HKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccc(Br)cc1 13955110 CHFFDAUIZOHPSI-UHFFFAOYSA-N 417.306 6.225 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1OC 14132212 GNBCPDPFEVWGJW-HYARGMPZSA-N 419.502 5.484 0 40 HKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1nc(Cl)ccc1Cl 14604124 WXNVFVJTYALKEQ-UHFFFAOYSA-N 400.290 5.917 0 40 HKAB C[C@H]1CCc2c(sc3c2[C@H](c2ccc(OCc4ccc(F)cc4)cc2)CC(=O)N3)C1 15085278 XAYQSZHVKYOPMO-BTYIYWSLSA-N 421.537 6.065 0 40 HKAB O=C1C[C@@H](c2ccc(OC3CCCC3)cc2)c2sc(Nc3ccccc3)nc2N1 15110056 VWBUWHGIGKCQQG-IBGZPJMESA-N 405.523 5.682 0 40 HKAB O=C(Nc1cc(Cl)ccc1NCc1ccccc1)c1cc(=O)[nH]c2ccccc12 16044095 HAMAXAAJNBQMSR-UHFFFAOYSA-N 403.869 5.046 0 40 HKAB Cc1cccn2cc(CSc3nc(-c4cc5ccccc5oc4=O)cs3)nc12 16363087 HBBJRWQGBWEHAQ-UHFFFAOYSA-N 405.504 5.165 0 40 HKAB CCCCCC[C@H](O)C/C=C/CCCCCCc1c(C(=O)OC)nc(=S)[nH]c1O 16952838 VMPUSPLQIAFVDX-KQPPXVQYSA-N 424.607 5.402 0 40 HKAB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)C(C)C)cc3s2)c(C)c1 20895012 JBEUCGQHVGQNDX-UHFFFAOYSA-N 413.568 5.238 0 40 HKAB CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCC2)cc1 21805326 MQQGCJCLLWDTJZ-HXUWFJFHSA-N 423.582 5.268 0 40 HKAB Cn1c(SCc2cc(-c3ccc(Cl)cc3Cl)no2)nnc1-c1cccnc1 22187252 TYVOITDJLXWPFE-UHFFFAOYSA-N 418.309 5.131 0 40 HKAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(Cl)c(Cl)c1 22390760 VZTCXRGPHVTKDS-UHFFFAOYSA-N 400.352 5.490 0 40 HKAB O=C(Nc1ccccc1-c1nc(-c2ccco2)no1)c1ccccc1Br 22458547 GOOONAYSSZMLFO-UHFFFAOYSA-N 410.227 5.011 0 40 HKAB O=C(Nc1ccc(F)cc1Cl)c1ccccc1-c1ccc(Cn2cccn2)cc1 22522688 CDKJHKYHPOXQBA-UHFFFAOYSA-N 405.860 5.643 0 40 HKAB O=c1c2scc(-c3cccc(F)c3)c2ncn1Cc1cccc(C(F)(F)F)c1 23126187 UPQPUPRRBFQQHN-UHFFFAOYSA-N 404.388 5.331 0 40 HKAB COc1cc(OC)c(NC(=O)c2nc(-c3ccc(Cl)cc3)oc2C)cc1Cl 25324350 MLOGXPTZKLEOBH-UHFFFAOYSA-N 407.253 5.226 0 40 HKAB C[C@@H]1CCc2c(sc3nc(CN(C)Cc4ccc(C(C)(C)C)cc4)[nH]c(=O)c23)C1 25480392 JEKNXUHMFCRAHG-OAHLLOKOSA-N 409.599 5.039 0 40 HKAB COc1ccccc1[C@@H]1CC(O)=Nc2sc(C(=O)Nc3ccc(C)cc3)c(C)c21 32072387 UMSDOZQWNLJSDT-KRWDZBQOSA-N 406.507 5.749 0 40 HKAB Cc1ccc(-c2ccc(SCc3nc(-c4ccccc4Cl)no3)nn2)cc1C 33022083 UTNXBPWOGVFVLE-UHFFFAOYSA-N 408.914 5.756 0 40 HKAB Cc1c(-c2cc(C(F)(F)F)c3c(C(C)C)nn(-c4ccc(F)cc4)c3n2)cnn1C 36616188 JDZHLEQPHDCDDP-UHFFFAOYSA-N 417.410 5.411 0 40 HKAB CCOc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 38834357 QYGRWQBQFZMBMF-UHFFFAOYSA-N 407.341 5.243 0 40 HKAB CSc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 38852545 GQRWZINNVUTWIT-UHFFFAOYSA-N 409.382 5.566 0 40 HKAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)c1nc2ccccc2n1C(F)F 46555718 VLPGQIFQLRBZDC-JTQLQIEISA-N 424.398 6.247 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 59477601 RUGGMHDKNQOOKF-NTCAYCPXSA-N 424.431 6.546 0 40 HKAB CC(C)(C)OC(=O)Nc1cc2ccccc2cc1C(=O)N1CCc2sccc2C1 65494850 QKXQWVVZMUWRRW-UHFFFAOYSA-N 408.523 5.447 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(C(C)C)cc3)oc12 67293456 XYEJVQHMXFTVOS-RFBIWTDZSA-N 413.477 5.445 0 40 HKAB COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)CCc2ccc(F)cc2)n1 72358267 PDQCJGPDTGOLSD-XMMPIXPASA-N 418.512 5.116 0 40 HKAB Cc1nnc(SCc2ccccc2)nc1/C=C/Nc1cccc(C(F)(F)F)c1 100104738 HLRFSFVBUACJMT-ZHACJKMWSA-N 402.445 5.574 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1C[C@H]2CCC[C@H](C1)C2=O 102320232 OSEGWXPBJFCZTG-HUUCEWRRSA-N 408.464 5.030 0 40 HKAB CCc1ccccc1N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 102994702 OKXWJRAYVRQWNY-XDJHFCHBSA-N 402.881 5.542 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 219342701 XZUKVVQBZLPSEA-LJQANCHMSA-N 421.884 5.017 0 40 HKAB Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1Cl 222627968 SPTAOYFTQPVLJQ-RVHYNSKXSA-N 408.958 5.423 0 40 HKAB O=S(=O)(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Br)cc1 223974932 OWBGKKSSZXUNIZ-UHFFFAOYSA-N 402.269 5.149 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccc(C)cc1 224467165 RMQOWLUAPYPTOB-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1)c1ccc(C)cc1C 224514365 MRMDDENBJDFUDO-KDYMBEQYSA-N 416.521 5.243 0 40 HKAB S=C(Nc1ccc(Cl)cc1Cl)NC1CCN(Cc2cccs2)CC1 225229825 ZNTQZITZVWVFCG-UHFFFAOYSA-N 400.400 5.006 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225612267 QRSYTDWHSSDFGQ-HXUWFJFHSA-N 407.539 5.188 0 40 HKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)C(C)C)c(C)c1 225766251 KTATUWKWMIVNCS-QHCPKHFHSA-N 423.626 5.613 0 40 HKAB Cc1ccccc1CNC(=S)c1ccccc1OCc1ccc(Cl)cc1Cl 408571240 ANVOPFMNJXAQEL-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(C(=O)O)cc2)C1=O 408815488 QJWAWRXRHIFSLM-CVMPDPLCSA-N 421.542 5.439 0 40 HKAB COc1cc(OC)c(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl 408868562 PGCKDZPOIIAJEN-IUXPMGMMSA-N 424.305 5.247 0 40 HKAB CCOc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 409118099 OUOGYZKZSNXIHO-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 521954539 YBGAVQBLNTUGSC-GJYPPUQNSA-N 415.415 5.175 0 40 HKAB Fc1ccc2c(c1)Cc1cccc(c1)CN(CCCc1ccccc1)CCOCCO2 643562981 BKAKBSCWKQLZRQ-UHFFFAOYSA-N 419.540 5.260 0 40 HKAB Cc1ccc2cccc(OC(=O)c3cc(I)ccc3Cl)c2n1 659570 IBOQVYWILZQLLM-UHFFFAOYSA-N 423.637 5.020 0 40 HKAB CN(C)C(=O)N[C@H](Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl 825906 DTNBUYWXXORPMR-VIFPVBQESA-N 413.947 5.026 0 40 HKAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)n1-c1ccccc1 877862 PPDDVEJVXUOTID-UHFFFAOYSA-N 418.497 5.113 0 40 HKAB COc1ccccc1-c1c(C)oc2cc(OCc3cccc(Cl)c3)ccc2c1=O 1322844 XVAFOYSMAUVSAJ-UHFFFAOYSA-N 406.865 6.009 0 40 HKAB biogenic O=CNc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 1404993 GFUOWRYZMLHKRL-UHFFFAOYSA-N 415.305 5.538 0 40 HKAB Cc1cc2c(cc1C)-c1nn(-c3ccccc3)c(-c3ccc(Cl)cc3)c1CCO2 1591122 LBISNZREDGWMHC-UHFFFAOYSA-N 400.909 6.411 0 40 HKAB Cc1ccc(Sc2c(C)nn(C(=O)c3ccc(Br)cc3)c2C)cc1 1803122 GQQUHFBWOJYBNI-UHFFFAOYSA-N 401.329 5.411 0 40 HKAB O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1cccc(OCc2ccccc2)c1 2058438 MQXOAJLXDSINMM-XYGWBWBKSA-N 405.453 5.763 0 40 HKAB Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1-c1ccc(Cl)cc1 2351775 OGKNRHDIAQNQKK-UHFFFAOYSA-N 420.900 5.299 0 40 HKAB CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2539633 HCXVJBMSMIARIN-KEJCWXRGSA-N 412.702 7.801 0 40 HKAB biogenic,in-vitro O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccccc1Oc1ccccc1 2625020 PGEIBAURYRQIJB-UHFFFAOYSA-N 408.429 6.133 0 40 HKAB C[C@@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)NCCC1=CCCCC1 2640029 XKPLYZVAVOXNKQ-MRXNPFEDSA-N 423.607 5.846 0 40 HKAB Cc1ccc(-n2nc(C)c(NC(=O)COc3ccc(-c4ccccc4)cc3)c2C)cc1 3355881 WWHVRGSFACGQBD-UHFFFAOYSA-N 411.505 5.482 0 40 HKAB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccccc1Oc1ccccc1 3402519 DUWFDHCMZMPDHM-UHFFFAOYSA-N 408.508 5.056 0 40 HKAB CCOc1ccc(/N=c2\cc(-c3cccs3)cc(OCC)c3c(C)oc(C)c23)cc1 4027835 WQFHRSFRTFTNTI-YYADALCUSA-N 419.546 6.808 0 40 HKAB biogenic Cc1ccc2cc3cc(C(=O)N[C@H](C)c4ccc5c(c4)OCCO5)sc3nc2c1 4139644 YEZDDFGZOPTRNH-CQSZACIVSA-N 404.491 5.020 0 40 HKAB O=C1O[C@@]2(C[C@H](c3ccccc3)[C@H]3CCCC[C@]34Nc3ccccc3N24)c2ccccc21 4333676 JQKXIOGQANFJIF-OOIQZMFUSA-N 422.528 6.016 0 40 HKAB CCOP(=O)(OCC)c1nc(/C=C/c2ccccc2)oc1NCc1ccccc1 4584355 IGDOAXDUJOEUBU-FOCLMDBBSA-N 412.426 5.349 0 40 HKAB CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1 4871989 NQSBLXCOAWSWSF-DENIHFKCSA-N 410.926 6.043 0 40 HKAB O[C@@]1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NN1c1nc2ccccc2s1 5274500 ZACLFOLIFGNIPY-HXUWFJFHSA-N 413.424 5.315 0 40 HKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CNc1cccc(C)c1 5699165 HIZCOHJNNCHHSY-UHFFFAOYSA-N 412.486 5.090 0 40 HKAB O=C(CN1CCCCCC1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 6049380 HTDRGYKSBBXMPE-SANMLTNESA-N 411.549 5.394 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC 6204573 SIQHDMVLNRFMKM-UHFFFAOYSA-N 411.885 6.182 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)CC(C)C)c3)nc2c1 6242998 OAXYWIPEKUWLHB-OAHLLOKOSA-N 409.555 5.867 0 40 HKAB COC(=O)c1ccc(Cn2c(-c3ccccc3)cs/c2=N\c2ccccc2)cc1 6441020 FAKVMGUQGGSQQG-IZHYLOQSSA-N 400.503 5.284 0 40 HKAB CC(C)(C)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 6563325 LETZTICCEMGVKN-DHDCSXOGSA-N 412.363 6.253 0 40 HKAB CSc1ccc(Cl)c(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3)c2C)c1 6796138 IURJGGJFZBODFI-UHFFFAOYSA-N 403.910 5.315 0 40 HKAB Cc1cc2sc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)nc2cc1Cl 6826377 PBAWXGLVVGMLJE-UHFFFAOYSA-N 403.290 6.424 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C1c2ccccc2-c2ccccc21 7651552 RVGTWDFGLLRQTH-UHFFFAOYSA-N 419.568 6.905 0 40 HKAB Cc1nc2cc(NC(=O)CSc3nccn3-c3cccc(Cl)c3C)ccc2o1 8280509 VMPSNFGQQAAKGT-UHFFFAOYSA-N 412.902 5.015 0 40 HKAB Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C2CCCCC2)cc1 8391604 NEGKGGRQQFDAPX-UHFFFAOYSA-N 420.582 5.184 0 40 HKAB Cc1cccc(-n2c(-c3ccccc3)nn(CC(=O)Nc3ccccc3)c2=S)c1 8415046 BIRDKJBEXKXNCG-UHFFFAOYSA-N 400.507 5.017 0 40 HKAB O=C(OC1CCCCC1)c1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 8904206 YKKSBHXGHQUSGP-UHFFFAOYSA-N 422.506 5.049 0 40 HKAB O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1Cc1ccc(Cl)c(Cl)c1 9233380 FTOKOLOCMBCCOL-CAOOACKPSA-N 403.290 5.711 0 40 HKAB Cc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cc(C)ccc2C)cc1 9428500 WGWAMPXNWLZMMI-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB Cc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccc(C)cc2)cc1 9969345 NMAIIRBIYZQJOS-UHFFFAOYSA-N 419.477 5.055 0 40 HKAB O=C(Nc1ccccc1C(=O)N1CCC(CCc2ccccc2)CC1)c1ccco1 11452553 YDJSSGMJHGGLDC-UHFFFAOYSA-N 402.494 5.017 0 40 HKAB CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C 11616089 XURCMZMFZXXQDJ-QBBPNXHKSA-N 414.586 5.580 0 40 HKAB biogenic CCCN(CC(=O)Nc1ccccc1OC)Cc1csc(Nc2ccccc2C)n1 12542485 GGARKTSIIHEXGP-UHFFFAOYSA-N 424.570 5.054 0 40 HKAB C[C@@H]1CCc2sc(-c3nnc(SCc4noc(-c5ccsc5)n4)o3)cc2C1 12909725 IULZIRSJVUKOIK-SNVBAGLBSA-N 416.553 5.327 0 40 HKAB CN(C(=O)COC(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1)C1CCCCC1 13055853 FNGPYAYBBGCKFK-CJLVFECKSA-N 411.929 5.215 0 40 HKAB COc1cc(CC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)ccc1C 14084788 OMRGGUMUQQBYNY-UHFFFAOYSA-N 421.349 5.539 0 40 HKAB C[C@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(F)cc1 14092797 MCMXMZXVJYGWQY-IRXDYDNUSA-N 407.441 5.041 0 40 HKAB C[C@H](Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1nnc(-c2ccccc2)o1 14117326 TWYUNFQLCSFMMC-HNNXBMFYSA-N 404.853 5.761 0 40 HKAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c(OC)c1OC 15016729 OYTRLFILHQEVSF-GAJHUEQPSA-N 422.506 5.016 0 40 HKAB N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)Nc1cccc(Cl)c1Cl 16440467 SYLZOUDOWIUZFF-UXBLZVDNSA-N 412.070 5.007 0 40 HKAB COc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(OC)cc3)c2C)cc1 17083069 WHYOJZSMZFAPIO-UHFFFAOYSA-N 404.897 6.185 0 40 HKAB O=C(O)CSc1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 18193706 WDHQPHNAGHJFKA-UHFFFAOYSA-N 416.351 5.042 0 40 HKAB Cc1cccc(CN(Cc2ccccc2)C(=O)c2cc(-c3cccc(F)c3)no2)n1 19666771 ZGZHCNGPQUUSPM-UHFFFAOYSA-N 401.441 5.027 0 40 HKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)c1 20609979 RLIQHFFSFQVJLG-QGZVFWFLSA-N 400.482 5.159 0 40 HKAB O=C1C[C@@H](c2ccc(Cl)cc2)Cc2nc3nc(-c4ccc(Cl)cc4)nn3cc21 20632572 SSGVPJXQGRZVTO-AWEZNQCLSA-N 409.276 5.011 0 40 HKAB C[C@@H](NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 22074205 MVDDTXCMPXGHAZ-OAHLLOKOSA-N 420.767 7.077 0 40 HKAB Cc1cc(C)c([C@@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C 22540708 YYPGLDJKAXRLGM-CYBMUJFWSA-N 412.839 5.100 0 40 HKAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1nc2c(C)ccc(C)c2s1 23268746 MNMFRPHNMUYWIA-UHFFFAOYSA-N 424.551 5.458 0 40 HKAB Oc1ccccc1-c1nc(/C=C/c2ccccc2)nc(Nc2nc3ccccc3o2)n1 25185597 PYTDFZIKVLAANJ-CCEZHUSRSA-N 407.433 5.299 0 40 HKAB Cc1nc2cc(NC(=O)c3ccccc3SCc3cn4ccccc4n3)ccc2o1 28493611 CYSKQNQIUMUXAW-UHFFFAOYSA-N 414.490 5.329 0 40 HKAB COc1ccccc1[C@@H]1CC(O)=Nc2sc(C(=O)Nc3ccc(F)cc3)c(C)c21 32094376 PFQKQPBOLYXCFL-INIZCTEOSA-N 410.470 5.580 0 40 HKAB O=C1/C(=C/c2ccc(-c3ccccc3)s2)c2ccccc2C(=O)N1Cc1ccccn1 32674145 KFAHUQWZVCAAEL-XQNSMLJCSA-N 422.509 5.533 0 40 HKAB CC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)c1ccc(C(C)(C)C)cc1 36616163 WMUQKBXVGVCVSU-HXUWFJFHSA-N 404.558 5.333 0 40 HKAB Cc1ccc(F)cc1NC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C 40114668 JRNWKHWQLMQMNX-UHFFFAOYSA-N 420.868 5.801 0 40 HKAB CCc1nn2c(ncc3c(=O)n([C@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccc(F)cc1 40396770 RAMFASYYRUIAST-XFQAVAEZSA-N 418.516 5.410 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 44850380 XZSGDDNZNAGKJR-IBGZPJMESA-N 408.712 6.596 0 40 HKAB O=C(N[C@H](c1ccc(Cl)cc1)c1cccs1)c1cccc(Cn2ccnc2)c1 46151118 SBGQDHKPKXGDGE-OAQYLSRUSA-N 407.926 5.166 0 40 HKAB Cc1nc(C)c([C@H](C)NC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)s1 56023248 XFVGUYFGQMXROH-LBPRGKRZSA-N 412.540 5.132 0 40 HKAB CC(C)(C)c1cnc(CSc2nc3ccccc3c(=O)n2-c2ccccc2F)o1 58202587 QXDZKLHXRXCNCE-UHFFFAOYSA-N 409.486 5.103 0 40 HKAB O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1cccnc1Sc1ccccc1 58203001 DCBFJKULMSMIBJ-UHFFFAOYSA-N 406.898 5.324 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)c(OC)c1 59294161 SYBJXSUXKBZBPB-UHFFFAOYSA-N 416.477 5.690 0 40 HKAB Cc1cccc(-c2noc(-c3nn(-c4cccc(Cl)c4)c(=O)c4ccccc34)n2)c1 64949847 ATHODSCUJQKAPB-UHFFFAOYSA-N 414.852 5.065 0 40 HKAB CCCCc1ccc(NC(=O)CSc2cc(C)nc(-c3ccc(OC)cc3)n2)cc1 67257723 BPTZFOBRAMFEEF-UHFFFAOYSA-N 421.566 5.534 0 40 HKAB Cc1ncsc1C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 71971517 ZCKJGQNEINWXJG-UHFFFAOYSA-N 417.865 5.423 0 40 HKAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72214856 MKSJVBYALVEDAF-QGZVFWFLSA-N 405.539 5.304 0 40 HKAB CC1=C[C@@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 72320841 NXFZGXMVFJTUSP-VABKMULXSA-N 415.581 5.698 0 40 HKAB biogenic,in-vitro C=Cn1cccc1C(=O)N1CCC[C@H](c2[nH]c3ccc(C)cc3c2-c2ccncc2)C1 72396791 PQXIWZITKCMNEN-FQEVSTJZSA-N 410.521 5.460 0 40 HKAB Cc1cccc(CN(Cc2ccc(OC(F)(F)F)cc2)Cc2cccc(C)n2)n1 79052058 WFGSNVVQXKLYQS-UHFFFAOYSA-N 401.432 5.194 0 40 HKAB Cc1ccccc1[C@H](C)NC(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 84234800 WVGLNRLJOYEVAC-HNNXBMFYSA-N 419.352 5.667 0 40 HKAB Cn1cnc2c(-c3cccnc3)nc(C3CCN(Cc4ccccc4Cl)CC3)cc21 96062756 HPKXWJGBRUZLFQ-UHFFFAOYSA-N 417.944 5.063 0 40 HKAB O=C(NCc1ccsc1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96147711 YKQHGPALXJATKF-UHFFFAOYSA-N 414.534 5.014 0 40 HKAB Cc1ccc(C)c([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN23)c1 106617372 KRYSMUHJOXJMMU-GJZUVCINSA-N 412.489 5.317 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118916908 CZDKQKOAHAICSF-STTSHYNVSA-N 402.663 6.360 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1cccc(Cl)c1 223092218 KCFDGUGLNGDQDE-JOCHJYFZSA-N 418.002 5.426 0 40 HKAB C[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCC2 223154043 FLQRLTSRCWTTHW-HXUWFJFHSA-N 410.561 5.225 0 40 HKAB O=C(COc1ccc(Br)cc1Cl)Nc1ccc2c3c(cccc13)CC2 224263345 GJVVMFSVTXZRSH-UHFFFAOYSA-N 416.702 5.372 0 40 HKAB CCc1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3C)c2)cc1 224276292 YCBBJUWSESCKRM-UHFFFAOYSA-N 403.522 6.014 0 40 HKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc4ccccc4c3)c2)cc1 224314435 BVQXWNHBRVBHBH-UHFFFAOYSA-N 413.473 5.688 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1CSc1ccccc1 224325386 VSISAJNLWILZJG-UHFFFAOYSA-N 418.345 6.547 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1cc(C)cc(C)c1 224539238 XJVGOMQNLMXBDY-IBGZPJMESA-N 421.512 5.911 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(OC)c(F)c2)cc1 225395604 CZFTZRNZHGJMJD-UHFFFAOYSA-N 401.821 5.541 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c(C)c1 225679396 JWXDSMUPYJWQJA-IBGZPJMESA-N 412.555 5.069 0 40 HKAB Cc1ccc(NC(=O)c2snnc2-c2ccc(Br)cc2)cc1Cl 225783720 CYRURHIZZKVNIV-UHFFFAOYSA-N 408.708 5.182 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2cccnc12 225876011 FYFIHUHGNAZMBL-UHFFFAOYSA-N 422.500 5.096 0 40 HKAB NC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)nc2ccc(Br)cc12 226360582 HWVOHLGEHIIORG-UHFFFAOYSA-N 403.279 5.015 0 40 HKAB Cc1ccc(C)c(N(Cc2cnn(Cc3ccccc3)c2)Cc2ccccc2CO)c1 257321481 WBWPLWJYKHDCHU-UHFFFAOYSA-N 411.549 5.247 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2cccc(C)c2C)cc1 408698769 PJHVODZZQZEJID-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB CCOc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccccc2)cc1 409101834 WSZFTZVQQITLHM-UHFFFAOYSA-N 405.498 5.764 0 40 HKAB Cc1cccc(COc2ccc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1 409171593 AMLAODMUJZCKMX-HYARGMPZSA-N 418.880 5.325 0 40 HKAB C[C@H]1CC[C@H](c2ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cc2)CC1 584567166 WYVGOSUDBSSDLC-OKILXGFUSA-N 412.440 5.637 0 40 HKAB O=C(c1cnn2c(C(F)F)cc(C3CC3)nc12)N(C1CCCCC1)C1CCCCC1 650866 CAYMEBJLXPDPKM-UHFFFAOYSA-N 416.516 5.652 0 40 HKAB CCC(=O)N(CC[C@H](c1ccccc1)c1ccco1)Cc1ccc(OC(C)C)cc1 658243 QVUDUDMIPMZSFJ-XMMPIXPASA-N 405.538 6.028 0 40 HKAB biogenic CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)cc1 727746 MWVFBMQVAKTWLU-UHFFFAOYSA-N 400.478 6.071 0 40 HKAB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1cccs1 828390 ZCKRICAHKUIFHW-UHFFFAOYSA-N 405.591 6.172 0 40 HKAB Cc1cc2ccccc2n2c(SCC(=O)N(c3ccccc3)c3ccccc3)nnc12 1223168 MPYXXBIQVACTJT-UHFFFAOYSA-N 424.529 5.648 0 40 HKAB Cc1cccc(C)c1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1cccs1 1380093 RYSAQASACZDDOA-QFIPXVFZSA-N 422.550 5.405 0 40 HKAB CCCN(CCC)C[C@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 1568051 GQVYZGLHUGDJLC-HNNXBMFYSA-N 408.386 5.428 0 40 HKAB CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3cccc(C(F)(F)F)c3)c2c1 1892593 ZBFMOCLIWOFPTR-QUPMIFSKSA-N 423.434 6.922 0 40 HKAB CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2077732 KZJWDPNRJALLNS-PYYRWUFESA-N 414.718 8.025 0 40 HKAB biogenic CC1CCN(c2ncnc3c2sc2nc(-c4ccco4)c4c(c23)CCCC4)CC1 2283633 CYPIUBCNCPTANA-UHFFFAOYSA-N 404.539 5.615 0 40 HKAB CCCCc1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2CC)cc1 2446493 ZBIDGXXYSRBFQT-UHFFFAOYSA-N 424.570 5.047 0 40 HKAB Nc1c(-c2ccc(F)cc2)cnn1-c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2513380 AZYMJKDMNRWUTQ-UHFFFAOYSA-N 412.493 6.051 0 40 HKAB O=C(CSc1nnc(-c2cccs2)o1)N(Cc1ccccc1)Cc1ccccc1 2619755 ZUADGNSVTUVVLH-UHFFFAOYSA-N 421.547 5.119 0 40 HKAB Cc1nc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2s1 2620274 YLWHRVGMXXWWPY-UHFFFAOYSA-N 412.436 6.543 0 40 HKAB COc1ccc(-c2nc3ccccc3n2CCCOc2ccc(C)cc2)cc1OC 2666096 ZGFCDOCALROGQD-UHFFFAOYSA-N 402.494 5.498 0 40 HKAB COc1cccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(OC)ccc32)c1 2690621 YSGRFQUZZMSNOK-UHFFFAOYSA-N 413.452 5.408 0 40 HKAB Cc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c1C 2951235 KZOCWRNNOFDIPC-GFMRDNFCSA-N 409.898 5.644 0 40 HKAB CCC(=O)N(CC[C@@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccccc1 4027017 ORVCDMJZVJGXJV-LOSJGSFVSA-N 407.598 5.879 0 40 HKAB biogenic CCCCOc1cccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)c1 4122449 KVBBCWYJWUQVMO-UHFFFAOYSA-N 401.466 5.629 0 40 HKAB CC[C@H]1[C@@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)C)cc1 4663677 WOCICPKRZGZPEY-ZBKJKTKLSA-N 412.577 7.038 0 40 HKAB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1 4680755 ZSPDDPTZCMAJOQ-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC(C)C)cc2)cc1 4812444 YYEWOFWMPKYEEY-AHWVRZQESA-N 414.505 5.725 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)cc1 4812474 OZCOSAXNFYJDAO-JTHBVZDNSA-N 409.316 6.544 0 40 HKAB CN1C(=O)[C@]2(c3ccccc31)c1ccc3ccccc3c1Oc1ccc3ccccc3c12 4838396 CPIBFULKBXXVLI-GDLZYMKVSA-N 413.476 6.410 0 40 HKAB Cn1nc([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1C(F)(F)F 4897128 OFZZRUVLPSTSGV-FJHVXNPXSA-N 422.535 5.846 0 40 HKAB Cc1sc(NC2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1 5001229 OVGWDWVWVDZNLM-UHFFFAOYSA-N 421.541 5.815 0 40 HKAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4cccc5ccccc45)c3)nn12 5002214 CABXBBGCXILRIQ-UHFFFAOYSA-N 413.506 5.129 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3C[C@H](C(=O)O)[C@@](C)(CCC(=O)O)[C@@H]3CC[C@@]21C 5029311 ZXBHRPYRWXWPFH-RESQYVFMSA-N 420.634 6.483 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2ccc3ccccc3n2)c2ccccc2)c1 5079527 UKQOWBQMFQPFCB-DEOSSOPVSA-N 410.473 5.388 0 40 HKAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)Nc1ccc(F)c(Cl)c1 5147338 MQXFLESQHINGEF-UHFFFAOYSA-N 403.841 5.176 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccc(F)cc3)sc3ccccc3c2=O)cc1 5350483 JMDGZICBJZKXDJ-UHFFFAOYSA-N 405.450 5.329 0 40 HKAB Cc1cccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 6034933 CWCKSBLJHLPFSZ-UHFFFAOYSA-N 414.461 5.319 0 40 HKAB COc1cc(C(=S)N2CCCCC2)cc(Br)c1OCc1ccccc1 6170070 OXARIYZQQYEOJR-UHFFFAOYSA-N 420.372 5.198 0 40 HKAB Cc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1Cl 6824880 OBXWCHGFBITCOY-FQEVSTJZSA-N 410.304 6.553 0 40 HKAB Cc1cc2sc(NC(=O)c3cccc(OCc4ccccc4)c3)nc2cc1Cl 6826382 SIHBYTQBKLSALY-UHFFFAOYSA-N 408.910 6.089 0 40 HKAB CC(C)(C)CC(C)(C)NCc1c(OCc2ccccc2Cl)ccc2ccccc12 6857336 PCNBQSMGZWYEPN-UHFFFAOYSA-N 410.001 7.377 0 40 HKAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N1c2ccccc2C[C@H]1C 7160786 LDBZPIOGYLBXSC-CHWSQXEVSA-N 417.456 5.107 0 40 HKAB O=c1[nH]c(CN2CC[C@H]3CCCC[C@@H]3C2)nc2scc(-c3ccccc3Cl)c12 7328142 DGNAVYCUSZQRHE-HUUCEWRRSA-N 413.974 5.317 0 40 HKAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3C)cc2)CC1=O 7881939 AJSAGZVXYYBOJF-HXUWFJFHSA-N 414.505 5.341 0 40 HKAB Cc1ccc(C(=O)[C@@H](Sc2nnc(-c3ccoc3C)o2)c2ccc(C)cc2)cc1 8323912 BASKLLCICKJQLN-NRFANRHFSA-N 404.491 5.971 0 40 HKAB C[C@@]12CC3CC(NCc4cccc(OCc5ccc(Cl)cc5)c4)(C1)C[C@](C)(C3)C2 8534540 ONPRSOGMWBTJCE-MVJOHORYSA-N 410.001 6.758 0 40 HKAB COc1cc(NC(=O)c2cccnc2Sc2ccc(C)c(C)c2)cc(OC)c1OC 8696074 QTVIZTSVADQIEL-UHFFFAOYSA-N 424.522 5.128 0 40 HKAB CCCc1ccc(-c2nc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)sc2C)cc1 9051078 YKKBELIVMVSFIW-GOSISDBHSA-N 405.523 5.136 0 40 HKAB Clc1cc(Cl)c2nc(N3CCN(c4nc5ccccc5s4)CC3)sc2c1 9381986 WDRYIMNXIBTADH-UHFFFAOYSA-N 421.378 5.539 0 40 HKAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc3c2O[C@H](C)[C@@H]3C)cc1 9499338 BDTFDAJBVYQITI-JKSUJKDBSA-N 416.477 5.084 0 40 HKAB Fc1ccc(-n2nc(SCc3csc(-c4ccccc4)n3)sc2=S)cc1 9633990 JSZGDGFTEHQNSS-UHFFFAOYSA-N 417.581 6.218 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)cc1C 10128893 QWACJFQCQUWTBC-UHFFFAOYSA-N 413.473 5.403 0 40 HKAB O=C(CCCc1c[nH]c2ccccc12)N1CCCC[C@H]1c1nc2ccccc2s1 12601396 NKGQRZUORNGFNI-NRFANRHFSA-N 403.551 5.854 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 12790521 KCGDBBUHWZVHTK-VULIGXMUSA-N 413.481 5.083 0 40 HKAB CCC[C@@H](C)NC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 13042419 KWQAKBQOMBFVDX-CQSZACIVSA-N 420.340 5.227 0 40 HKAB Cc1ccc(Cn2nc(C)c3cc(C(=O)N[C@@H]4CCOc5ccccc54)sc32)cc1 14129740 UBBYADHADWGVMZ-HXUWFJFHSA-N 417.534 5.017 0 40 HKAB CC(=O)c1ccc(OC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)cc1 14179996 RLHJFJOFTVFDER-UHFFFAOYSA-N 406.463 5.298 0 40 HKAB COc1ccc(NC(=O)CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)cc1Cl 14814240 WMQJACZXTBPEAH-QHCPKHFHSA-N 412.892 5.148 0 40 HKAB Cc1ccc(C)c(N2C(=O)[C@H]3[C@@H](c4ccccc4)C=C[C@@H](c4ccccc4)[C@H]3C2=O)c1 15161920 NEZLLAPYDIROPG-DXQXWHQDSA-N 407.513 5.546 0 40 HKAB O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)c1ccc(F)cc1 15441323 FRRKHRIVHWYQFW-UHFFFAOYSA-N 424.888 5.097 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Nc1cccc(C)c1)CC2 18174523 ZOLKJZISURGBFF-QFIPXVFZSA-N 408.523 5.253 0 40 HKAB c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCCN3Cc3cccnc3)n2)cc1 19373049 WOJGEWPSRUIARZ-XMMPIXPASA-N 422.536 5.404 0 40 HKAB CCn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1-c1ccc(Cl)cc1 19928816 RHTWWDRJZHQQFB-UHFFFAOYSA-N 415.881 5.100 0 40 HKAB CCO[P@@]1(=O)C=C(C)N(Cc2ccccc2)[C@@H]1c1ccc(Br)cc1 20057858 UJLPVJRJWSVRNS-CYFREDJKSA-N 406.260 6.139 0 40 HKAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1cccc(Cl)c1Cl 23396106 YITMLPLSRAXCQM-UHFFFAOYSA-N 411.285 5.729 0 40 HKAB O=C(CSc1nc2ccccc2s1)N1CCc2sccc2[C@@H]1c1ccccc1 25897476 UXVRTDBARVRNCO-NRFANRHFSA-N 422.600 5.624 0 40 HKAB Cc1ccc(Sc2nn3c(C)cc(C)nc3c2NC(=O)c2ccc(C)cc2)cc1 27562095 BEEZBQHGGQJGMG-UHFFFAOYSA-N 402.523 5.366 0 40 HKAB CCCc1cc(Nc2ccc(Br)cc2)n2ncc(-c3ccccc3)c2n1 27585109 MXZNWUUZIBJSAO-UHFFFAOYSA-N 407.315 5.855 0 40 HKAB COc1ccc(-c2cc(NC(=O)c3oc4cc(C)cc(C)c4c3C)on2)cc1OC 27985717 WHBRPAKTQMJBJE-UHFFFAOYSA-N 406.438 5.283 0 40 HKAB CC(C)=C[C@H]1[C@H](C(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)C1(C)C 27987526 GMRLDCPCEVWYMQ-AZUAARDMSA-N 402.494 5.862 0 40 HKAB Cc1ccn2c(NC(=O)Cc3csc(C(C)C)n3)c(-c3ccc(F)cc3)nc2c1 31702779 OYRQCQUUWORTQU-UHFFFAOYSA-N 408.502 5.210 0 40 HKAB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 32747611 ZHDSSADQXIEXAK-UHFFFAOYSA-N 418.421 5.158 0 40 HKAB CCCCN(CCCC)CCCNC[C@H]1C(=O)O[C@H]2C[C@@]3(C)CCC[C@@H](C)C3=C[C@H]21 33887768 FGNDTNHMDIFKKW-JDNYXELFSA-N 418.666 5.183 0 40 HKAB Cc1cc(C(=O)N2CCCC[C@@H]2c2ccccc2)c2cnn(-c3ccccc3F)c2n1 36616615 SDZUPZHXJHVUNZ-JOCHJYFZSA-N 414.484 5.235 0 40 HKAB O=C(c1cnc2ccc(F)cc2c1Nc1cc(Cl)ccc1Cl)N1CCCC1 64658305 MPJRLSBHSQUHTR-UHFFFAOYSA-N 404.272 5.660 0 40 HKAB O=c1c2sccc2nc(SCc2cccc(C(F)(F)F)c2)n1Cc1ccco1 67323730 NKRPBPHEIMYNNC-UHFFFAOYSA-N 422.453 5.410 0 40 HKAB C[C@H]1C[C@@]2(C)Oc3ccccc3[C@H]3OC[C@@]1(COC(=O)NC1CCCCC1)[C@@H](C)[C@@H]32 72324072 HTEHTVFZNJDZHV-OAJHFDMBSA-N 413.558 5.246 0 40 HKAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O 96589835 SDMJLNKNFXHQRB-ICSRJNTNSA-N 400.478 5.027 0 40 HKAB N=c1c2c(ncn1Cc1ccccc1)Oc1ccc3ccccc3c1[C@H]2c1ccccc1 101151206 ZBLKNQLSZJKDKI-XMMPIXPASA-N 415.496 5.850 0 40 HKAB CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 106699768 BRKVKIYCENVKNW-NVMNQCDNSA-N 422.333 6.017 0 40 HKAB O=C(NCc1ccccc1Cl)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 113952785 YNLWFWHIXVMFBF-UHFFFAOYSA-N 411.760 5.175 0 40 HKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118914135 KYOFIJXMVNQYFC-XJZKHKOHSA-N 412.702 8.233 0 40 HKAB biogenic,in-vitro CO[C@H]1CC[C@]2(C)[C@H]3CC(=O)[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCC(=O)O)[C@@H]3CC[C@@H]2C1 118926532 JUPFWUQPXGJVAK-XHPWGDQZSA-N 404.591 5.340 0 40 HKAB COc1ccc(-c2ccc(CNCC3(c4cccc(F)c4)CCOCC3)cc2)cc1 141525372 SZBLVYSMWVBZMX-UHFFFAOYSA-N 405.513 5.339 0 40 HKAB Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)s2)c1 195530141 CDTDYTIROYTOCX-AESZEHBQSA-N 404.605 5.012 0 40 HKAB CCCC[C@@H](CC)C[Si]1(C[C@H](CC)CCCC)c2ccsc2-c2sccc21 201132270 MQIPWGKXFQQTLD-WOJBJXKFSA-N 418.788 7.786 0 40 HKAB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc(C)c4)C3=O)o2)cc1 214588920 AUHRXCMBDRCORC-LPYMAVHISA-N 417.486 5.694 0 40 HKAB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1C 214970911 RCSVWHUVYXSADE-LICLKQGHSA-N 418.312 5.003 0 40 HKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 222962847 GQIYGLQEBSSFPK-AEYMSQMJSA-N 417.593 6.567 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1CSc1ccc(Cl)cc1 224347034 ZADLOCJUKDEPKM-UHFFFAOYSA-N 411.954 6.510 0 40 HKAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 225158148 FABBZLKGDHQDJP-VWLOTQADSA-N 422.613 5.385 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](c1ccccc1)c1cccc(C)c1 225876482 JLGLUTRGYPSHIG-RRPNLBNLSA-N 413.561 5.937 0 40 HKAB COc1cccc(-c2ccc([C@H]3CCCCN3Cc3ccc(NC(C)=O)cc3)cn2)c1 257211372 BYPYHUPTPIIPIZ-AREMUKBSSA-N 415.537 5.443 0 40 HKAB O=C1CCC[C@]2(CN(Cc3ccc(-c4ccccc4)cc3)C[C@H]2c2ccccc2F)N1 257241196 HXBOGSGTFJMPQJ-RPLLCQBOSA-N 414.524 5.131 0 40 HKAB COc1cccc(C(=S)N2CCC(C)CC2)c1OCc1ccc(Cl)c(Cl)c1 408578627 ZIWSTOFGDHXMHK-UHFFFAOYSA-N 424.393 5.988 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)cc3C)n2)c1 408698841 PYZKYFLFOXXEBK-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCOc1ccc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)cc1OCC 408802280 XYALPYNUSHGIJL-UHFFFAOYSA-N 417.938 5.209 0 40 HKAB CCOc1cccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1 408808179 DZMUMMOCRFKLJJ-GXEQYHJJSA-N 421.586 6.139 0 40 HKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccc(Cl)cc3)cc2)cc1Cl 409266591 QEMIURKXMHPPNX-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB O=C([C@H]1CCC[C@@H](C(F)(F)F)C1)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 514571109 RUYRZBOLTRRZFS-IZBXYKSJSA-N 409.492 5.946 0 40 HKAB CC(=O)O[C@H]1CC=C(C)CCCC(C)(C)[C@H](OC(=O)c2ccc(O)cc2)C=C1C 1559556401 OLNKZJLTVQZYLK-FCHUYYIVSA-N 400.515 5.342 0 40 HKAB Clc1ccc(Br)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1 2362797689 DTAVKJCSTPKBFF-UHFFFAOYSA-N 422.713 6.289 0 40 HKAB Cc1cccc2cc(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCCC3)c(=O)[nH]c12 1378162 SFXPIVAXXWUKRT-UHFFFAOYSA-N 423.944 5.857 0 40 HKAB COc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccc(F)cc3)ccc2c1=O 1448178 ZMCGGUKSSNQHIN-UHFFFAOYSA-N 420.392 5.261 0 40 HKAB biogenic O=C(Nc1sc(-c2cccnc2)nc1-c1ccc(F)cc1)c1ccc(Cl)cc1 1477087 XTLCKCPHDIKURD-UHFFFAOYSA-N 409.873 5.917 0 40 HKAB CCCCOc1ccc(-c2csc(NC(=O)/C=C/C=C/c3ccccc3)n2)cc1 1786329 NOAOEYPMNWYGRH-MKICQXMISA-N 404.535 6.197 0 40 HKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCCOc1ccccc1 1830704 UHLRMSNYGOIXOO-UHFFFAOYSA-N 404.897 5.576 0 40 HKAB COc1ccccc1COc1cc2oc(=O)c(Cc3ccccc3)c(C)c2cc1Cl 2250185 HXUWLHDCGFXURD-UHFFFAOYSA-N 420.892 5.933 0 40 HKAB CC(C)CN(CC(C)C)C(=S)Oc1ccc(C(=O)Nc2ccccc2F)cc1 3088975 ZJDYNFDJKITYOO-UHFFFAOYSA-N 402.535 5.356 0 40 HKAB Fc1ccc(Cn2c(-c3cccnc3Cl)nc3cc(Cl)c(Cl)cc32)cc1 3135062 DADIOYDGBMIRDL-UHFFFAOYSA-N 406.675 6.246 0 40 HKAB O=C(CCN1c2ccccc2Sc2ccccc21)OCc1nc2ccccc2s1 3337967 AIZMWZJKEMMWTD-UHFFFAOYSA-N 418.543 6.033 0 40 HKAB Cc1ccccc1NC(=O)Cc1nc(-c2cc(C)n(Cc3ccco3)c2C)cs1 3442516 BDHYFXSWZMNMBQ-UHFFFAOYSA-N 405.523 5.359 0 40 HKAB Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccccc4Cl)n3c2c1C 4161043 APNJVDLWBKBQII-UHFFFAOYSA-N 410.930 5.192 0 40 HKAB CCCCN(CCCC)CCCN[C@@H](c1ccc(Cl)cc1)c1ccc(OC)cc1 4416941 MGPDEDSLLJBNBZ-VWLOTQADSA-N 417.037 6.320 0 40 HKAB CCOc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)[C@H](C)[C@H]2CC)cc1 4562144 OQZNSCZZVINNGJ-GJQIQAERSA-N 414.549 6.314 0 40 HKAB COc1ccc(CNc2ncc3c(n2)C[C@@H](c2ccc(C(C)(C)C)cc2)CC3=O)cc1 4741293 LDZCJHWTRZWEJI-LJQANCHMSA-N 415.537 5.308 0 40 HKAB Cc1ccc(Cl)cc1-n1c(-c2ccc(Cl)cc2)nc2nc3ccccc3nc21 5066439 NUXHTVCLLMMMPI-UHFFFAOYSA-N 405.288 6.251 0 40 HKAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(Cl)cc3Cl)NC(=O)CCN21 5201160 IRWKMDKPVLRDRR-DQACCSDVSA-N 401.337 5.329 0 40 HKAB CC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)C[C@H](C)C[C@H]2[C@@H]1c1ccc(Cl)cc1 5673600 OIQJDCCKLRKESC-KRSHXFPMSA-N 413.348 6.382 0 40 HKAB CC[C@@H](Nc1ccc(Cl)cc1C)C(=O)NN=C/C(C)=C\c1ccc(C(C)C)cc1 5954016 OAKYMHYUFYJLQB-HGWIYHHFSA-N 411.977 6.168 0 40 HKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 6845823 ZVXKUDHVHVEGKT-MRXNPFEDSA-N 409.938 5.999 0 40 HKAB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(-c2ccccc2)cc1 7389393 FVYXUWZJBLYHSV-UHFFFAOYSA-N 405.457 5.487 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccc(Cl)cc1 7544450 MQOIAXRKMGYACT-SFHVURJKSA-N 401.897 5.259 0 40 HKAB Cc1csc(S[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)n1 7777385 JZPKITYQEKPEAJ-INIZCTEOSA-N 409.363 6.230 0 40 HKAB O=C(CSc1nnc2n1CCCCC2)c1c(-c2ccc(F)cc2)[nH]c2ccccc12 8072149 SZLTTYOPOXYBBB-UHFFFAOYSA-N 420.513 5.267 0 40 HKAB Cc1ccc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1NC(=O)c1ccco1 8156793 MAYAVMJZFINYJA-OAHLLOKOSA-N 419.506 5.283 0 40 HKAB CCOc1ccc([C@H]2CCCN2Cn2nc(-c3ccccc3)n(CC)c2=S)cc1 8189841 OSYGCCPEKLJUJR-OAQYLSRUSA-N 408.571 5.294 0 40 HKAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2cccc(Br)c2)S1 8277627 IKXPFFFCABGKKN-OQLLNIDSSA-N 407.720 5.303 0 40 HKAB Cc1nc(NC(=O)c2ccccc2)sc1-c1nccc(OCC(F)(F)F)c1C 8715590 ZCOAHBLZFRRNKQ-UHFFFAOYSA-N 407.417 5.015 0 40 HKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(Br)c2)cc1 9065463 KQOSQBNXTUJCOI-FYYLOGMGSA-N 419.322 6.000 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(c1cccc(C)n1)C3=O 9193235 AXTWUFYNECAGNO-DEOSSOPVSA-N 424.500 5.678 0 40 HKAB CN(Cc1cccs1)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 9741715 SJALVLAEFUWHKO-UHFFFAOYSA-N 410.489 5.766 0 40 HKAB COc1ccccc1C(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1 9909158 VMKDSBUXDMJQFP-UHFFFAOYSA-N 421.547 5.039 0 40 HKAB CC(=O)N[C@@H](C)c1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1 9954354 WGVVJVRTPSCATI-AWEZNQCLSA-N 405.523 5.023 0 40 HKAB Fc1ccc(CNCc2ccc(OCc3ccccc3)c(Br)c2)cc1 10475215 MHIWTTVVDDBUEL-UHFFFAOYSA-N 400.291 5.457 0 40 HKAB COc1ccccc1-c1ccccc1CC1(C(=O)NC2CCCCC2)CCOCC1 12366587 RLHBMBXXWZYJNB-UHFFFAOYSA-N 407.554 5.150 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](Nc1ccc2c(c1)OCCCO2)c1ccccc1 12798026 ZDKGARIVBKDIPX-DEOSSOPVSA-N 418.493 5.039 0 40 HKAB Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccccc3OC(F)F)c12 12990691 CSZLWXDQZTYUPF-UHFFFAOYSA-N 401.394 5.113 0 40 HKAB COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 13628109 RKMKSSYHMUTNMH-UHFFFAOYSA-N 402.494 5.497 0 40 HKAB Fc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13758720 VFGVYLKKXRDHIR-AUSIDOKSSA-N 422.843 5.450 0 40 HKAB CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc21 13961149 UJIZYMVWJXEPLF-UHFFFAOYSA-N 412.253 5.988 0 40 HKAB COc1ccc(CN(Cc2cccs2)C(=O)c2oc3ccccc3c2C)cc1OC 14068548 DZZJFBJCERVOTQ-UHFFFAOYSA-N 421.518 5.663 0 40 HKAB O[C@H](CN[C@H](c1ccc(F)cc1)c1cccs1)CO[C@@H]1CCCc2ccccc21 14237851 GPFNJXKIGXNQPX-KIFXHHALSA-N 411.542 5.021 0 40 HKAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1C 14398689 WBIZDGYQXKPCDQ-DEOSSOPVSA-N 421.562 6.092 0 40 HKAB CC(C)=CCC/C(C)=C/Cc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)c(O)cc1O 15253910 GJFHZVPRFLHEBR-RGPRSXKESA-N 424.493 5.451 0 40 HKAB endogenous,in-man Cc1cc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc(C)c1Cl 15832057 LEDRRNASXHHZRS-INIZCTEOSA-N 412.917 5.272 0 40 HKAB COc1ccc2[nH]c(=O)c(CN(C(=O)C3CCCCC3)c3ccc(C)c(C)c3)cc2c1 16045373 JAQYAOXSYOCELA-UHFFFAOYSA-N 418.537 5.267 0 40 HKAB COc1c(C)cccc1C(=O)Nc1cc2nn(-c3cccc4ccccc34)nc2cc1C 16362362 VKZZLILFAMGXIS-UHFFFAOYSA-N 422.488 5.451 0 40 HKAB Cc1ccc(CNc2nc(Nc3cccc(C)c3)c3cnn(-c4ccccc4)c3n2)cc1 17041649 FFXWLMWKMNOLOP-UHFFFAOYSA-N 420.520 5.788 0 40 HKAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2cccc(Cl)c2Cl)o1 17093702 PGDPQGNUVFKOFK-UHFFFAOYSA-N 423.708 6.769 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H]([C@@H](C)CCC(=O)O)CC[C@H]32)C1 20028381 FCQRLHQHKFKTQE-UEMRKDICSA-N 418.618 6.078 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1ccccc1Cl 22072336 IJGWTYJFWMZDLL-UHFFFAOYSA-N 402.679 5.493 0 40 HKAB CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 27582674 CKEKFXHLKZCQDQ-NRFANRHFSA-N 400.950 5.086 0 40 HKAB Oc1[nH]c(=S)nc2c1[C@@H](c1ccccc1C(F)(F)F)C=C(c1ccccc1)N2 28466198 VKIWQBCQPKYTOW-CYBMUJFWSA-N 401.413 5.462 0 40 HKAB O=C(Cn1c(-c2ccc(Cl)cc2)nc2ccccc21)c1ccc(Cl)cc1Cl 28539458 CFBNUBAVIMTHQA-UHFFFAOYSA-N 415.707 6.546 0 40 HKAB O=C(NCCSc1ccccc1)c1ccc(CN2CCCc3ccccc32)cc1 30854027 PFHMTDNURSJTPR-UHFFFAOYSA-N 402.563 5.162 0 40 HKAB CC(=O)[C@H](C)Oc1ccc2cc(-c3csc(-c4ccc(F)cc4)n3)c(=O)oc2c1 32094206 QSXAOOARIMDWDL-ZDUSSCGKSA-N 409.438 5.079 0 40 HKAB CCc1c(C(=O)Nc2cccc(C)c2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 36639820 DWUISTRTYSZHRQ-UHFFFAOYSA-N 423.476 5.199 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 38756451 QIOJRRFARSJFBR-SANMLTNESA-N 411.501 6.215 0 40 HKAB O=C(Nc1ccc(-c2ccc(F)cc2)cc1)Nc1ccc(-c2ccc(F)cc2)cc1 39404092 RYUYESJWGXJMFW-UHFFFAOYSA-N 400.428 6.943 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)c1 44880341 CPGSIZJTFMCZRT-GOSISDBHSA-N 409.982 6.740 0 40 HKAB Cc1ccc(C)c(OCc2nnc(Sc3ncc(C(F)(F)F)cc3Cl)o2)c1 48236666 SYUBTHOKZBNMTE-UHFFFAOYSA-N 415.824 5.484 0 40 HKAB Cc1ccc2c(Nc3ccc(C(C)C)cc3)c(C(=O)N3CCCCCC3)cnc2n1 49004764 ZSXBRJVLMVVROY-UHFFFAOYSA-N 402.542 5.821 0 40 HKAB CCCCOc1ccc(NC(=O)N(CCc2ccccc2)Cc2ccccn2)cc1 61974443 ZVUJAHBIDZKNOK-UHFFFAOYSA-N 403.526 5.537 0 40 HKAB O=C(N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)C1(c2cccs2)CCCC1 70635463 QISFMNVMEVMBQS-KRWDZBQOSA-N 409.473 5.179 0 40 HKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72215114 HEWKWNZSIJEDGZ-FUHWJXTLSA-N 419.566 5.694 0 40 HKAB c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCCN3Cc3ccccn3)n2)cc1 72391346 WLFLFKKVGPKNFM-XMMPIXPASA-N 422.536 5.404 0 40 HKAB COc1cc(-c2n[nH]c(=S)n2-c2ccc(Cl)cc2)ccc1OCc1ccccc1 95929455 DFQJGWSDWZGQEG-UHFFFAOYSA-N 423.925 5.838 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 97994262 WZEMAOGDJKAGCX-FIOICXDGSA-N 413.481 5.083 0 40 HKAB CCc1ccc(-c2nc3ccc(NC(=S)NC(=O)c4ccccc4C)cc3o2)cc1 98086912 BMMFNMAMFABLLE-UHFFFAOYSA-N 415.518 5.492 0 40 HKAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc(Cl)c1 102055410 MOHSVONVIGPRDB-NVPYSNMXSA-N 413.904 5.583 0 40 HKAB C[C@H](NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)[C@H]1C[C@H]2CC[C@H]1C2 102133921 KGHGLAFUBMLMDN-DHNNRRLOSA-N 405.478 6.706 0 40 HKAB CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1cccc(Cl)c1 107024683 SYTDVZOARQZRIE-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 219390888 LNNXTXMPFRPQIE-GOSISDBHSA-N 415.946 5.228 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1Cl 222936614 ZKJRDOYMQSFNCY-FQEVSTJZSA-N 417.933 5.610 0 40 HKAB CC1(C)CCc2cc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2O1 223661069 QMQXEFZBSTZABR-UHFFFAOYSA-N 419.852 5.263 0 40 HKAB S=C(NCc1ccccc1Cl)Nc1ccc(Sc2ccc(Cl)cc2)nc1 223935917 DLQBGMUWLAJLOV-UHFFFAOYSA-N 420.390 6.026 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccc(Cl)cc1 224498067 YNEYVYWRGBCVPU-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2)cc1COc1ccccc1C(C)(C)C 224508485 NIGFGUAHJFTFFQ-UHFFFAOYSA-N 403.522 6.214 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccc(Cl)c(C)c1 224541671 DDGIOLMOBSEXAS-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)N[C@H]1CC2(CCCCC2)Oc2ccccc21 225319713 RHMYGGSGSIQTSM-FQEVSTJZSA-N 418.364 6.269 0 40 HKAB FC(F)(F)c1cccc(NC(=S)NCCCSCc2ccccc2Cl)c1 225606244 DZXKIYITEUKBPV-UHFFFAOYSA-N 418.937 5.969 0 40 HKAB C[C@@H]1Cc2ccccc2N1C(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225834040 KEJZMWJETLXZIL-GOSISDBHSA-N 409.489 5.314 0 40 HKAB Cc1ccn2cc(C(=O)N3CCC[C@@H](c4cc(-c5ccccc5)cc(C)n4)C3)nc2c1 257341140 ZIZJHSXJAWVUII-OAQYLSRUSA-N 410.521 5.033 0 40 HKAB Cc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408578829 ZNEHOSOZJWLOPM-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB CCOc1cc(C(=O)Nc2c(C)cccc2CC)cc(Br)c1OCC 408623397 TTYNUGSZLFMFRA-UHFFFAOYSA-N 406.320 5.370 0 40 HKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc3ccccc23)cc1 408676352 NHHLALDENIYJGN-UHFFFAOYSA-N 404.469 5.889 0 40 HKAB CCOc1ccc(NC(=O)c2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 408975605 BDKWUVOXBHIHLJ-UHFFFAOYSA-N 423.476 5.271 0 40 HKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCCCc2ccccc2)cc1C 409091563 VFXVHSMCPPLODT-UHFFFAOYSA-N 413.590 6.200 0 40 HKAB Cc1cc(Br)c(NC(=O)CSc2cccc3ccccc23)cc1C 409171970 FXXDXJMXSQXJNF-UHFFFAOYSA-N 400.341 5.950 0 40 HKAB Cc1cccc(C)c1OCC(=O)Nc1cc(C(=O)NC2CCCCC2)ccc1Cl 683273 JEKBECUCFPRYMS-UHFFFAOYSA-N 414.933 5.037 0 40 HKAB Brc1ccc2c(c1)c(-c1ccccc1)cc1nnc(-c3ccccc3)n12 1751050 PYHBCAJJEPGBOL-UHFFFAOYSA-N 400.279 5.979 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccccc1N1CCCC1 2238444 QBTRIMSNRRGHNW-CSKARUKUSA-N 420.365 5.120 0 40 HKAB O=C(Cc1ccccc1)NC(=S)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 2240511 NUQOYKQKHCFKCQ-UHFFFAOYSA-N 421.909 5.204 0 40 HKAB CCCCc1ccc(-n2c(N)c(C(=O)OCC(C)C)c3nc4ccccc4nc32)cc1 2245903 DRQDULMLTJEWDM-UHFFFAOYSA-N 416.525 5.311 0 40 HKAB COc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3cc(C)cc(C)c3)oc12 2686812 QFTWAFKHGLGSGB-IZHYLOQSSA-N 419.502 5.123 0 40 HKAB NC(=O)c1cc2cc(Cl)ccc2o/c1=N\c1cc(C(F)(F)F)ccc1Cl 2758578 CGHXBRFQFZBBGL-JLPGSUDCSA-N 401.171 5.090 0 40 HKAB O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCN(c2ccccc2)CC1 3079572 UPIQKPFLTLWPTI-UHFFFAOYSA-N 422.981 5.595 0 40 HKAB C[C@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)[C@@H](c1cccs1)N1CCCC1 3211458 DDJIYRDWTPYEFY-SJCJKPOMSA-N 414.427 5.567 0 40 HKAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1c(Cl)cccc1Cl 3266085 KNZBWFWAZKBWCR-UHFFFAOYSA-N 410.351 5.218 0 40 HKAB Cc1cc(OC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc(C(C)C)c1 3294529 WUBSXDDGKGFRJP-UHFFFAOYSA-N 410.966 7.283 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc(Cc2ccccc2)cc1 4075731 XLJOPMRZOGURES-UHFFFAOYSA-N 410.951 6.368 0 40 HKAB O=C(Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12)c1ccc(Cl)cc1 4162516 FZXWFQYZOOYXNC-UHFFFAOYSA-N 408.816 5.730 0 40 HKAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)C12CC3CC(CC(C3)C1)C2 4184288 KUTNDJPWAMYBGY-UHFFFAOYSA-N 415.580 5.808 0 40 HKAB CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 4675272 SFRSMNFIYBGFQL-UHFFFAOYSA-N 413.315 5.808 0 40 HKAB COc1cccc(-c2cc3nc(-c4ccccc4)cc(N4C[C@@H](C)C[C@H](C)C4)n3n2)c1 4980604 CSYWTDMTPFYAKF-OALUTQOASA-N 412.537 5.554 0 40 HKAB Cc1[nH]c2ccccc2c1CCN(Cc1ccco1)C(=S)Nc1cccc(F)c1 5006176 FLAGUASKMFWYBB-UHFFFAOYSA-N 407.514 5.650 0 40 HKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1C 5106916 JNFADGICYXUDKN-UHFFFAOYSA-N 414.461 5.645 0 40 HKAB CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 5284590 WPKLRLZMGLDAPM-IBGZPJMESA-N 423.538 5.090 0 40 HKAB O=C(c1ccccc1)[C@@]1(c2nc3ccccc3s2)Cc2ccccc2N2CCC[C@@H]21 5899804 YDQNLQQDAOZBMJ-ZEQKJWHPSA-N 410.542 5.642 0 40 HKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@H](C)OC(C)=O)CC[C@H]4[C@@H]3CC[C@@H]2C1 6037036 VDZDKQBSTYNFGG-SVKCJQKNSA-N 404.591 5.529 0 40 HKAB CCCCOc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3[C@@H](C)CCC)cc1 6072729 KHWKEPOCVIFWRU-LIRRHRJNSA-N 403.548 5.141 0 40 HKAB COc1ccc(OC)c([C@@H]2CCCN2Cc2cc(=O)oc3cc(C)c(Cl)cc23)c1 7718402 GPYAVSMVFYBCIC-FQEVSTJZSA-N 413.901 5.109 0 40 HKAB O=C(NC[C@H]1CCCO1)c1oc2ccccc2c1CSc1ccc(Cl)cc1 7986780 JOOWGCNJOZSMOW-OAHLLOKOSA-N 401.915 5.287 0 40 HKAB CC(=O)c1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1 8076704 SZHKMJRAQMPMMP-UHFFFAOYSA-N 401.491 5.115 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(C)c(NC(=O)c4cc(C)cc(C)c4)c3)nc2c1 8078383 PZIPEWAMQSURAE-SFHVURJKSA-N 412.533 7.186 0 40 HKAB Cc1ccc2c(c1)N(C(=O)c1cccc(Cl)c1)C(C)(C)C[C@]2(C)c1ccccc1 8559643 YGJMVOYKAFNDKV-AREMUKBSSA-N 403.953 6.784 0 40 HKAB COc1ccc([C@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N2CCCCC2)cc1 8613328 VGJBIBXECCWTQD-QHCPKHFHSA-N 420.553 5.324 0 40 HKAB CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(SC)cc4)n3)oc12 10750660 KDFFVWXZKRCMQM-UHFFFAOYSA-N 410.520 5.929 0 40 HKAB C[C@H](NC(=O)NC1c2ccccc2Oc2ccccc21)c1ccc(Br)cc1 12401860 AKYBWSDYRSHGHI-AWEZNQCLSA-N 423.310 5.705 0 40 HKAB Cc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(-c3ccccc3)cc1)C(C)(C)N2 13161949 JTLQEUBXYJSTDF-LCUIJRPUSA-N 414.599 7.345 0 40 HKAB O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 13303735 YPHMEKSGVWTWTE-LPMGRZKESA-N 406.869 5.963 0 40 HKAB COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)cc2)cc1 13714352 RNTWPYWOBNDINO-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB CN(c1ccc(Cl)cc1C(=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 16188749 YBRZODFGKGUQOD-UHFFFAOYSA-N 420.317 5.050 0 40 HKAB COc1cccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)c1 17091894 QTFJWTYDBSNAHX-UHFFFAOYSA-N 419.531 5.099 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H](C)Oc1ccccc1C(C)C 20110373 WIYJJLGNZZFSHY-FQEVSTJZSA-N 419.590 6.817 0 40 HKAB Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc(C(=O)O)c1O 20139931 VSSSZCZEUORMNN-UHFFFAOYSA-N 406.221 5.218 0 40 HKAB Cc1ccc(C)c(N2CCN([C@H](c3ccccc3)c3nnc(-c4ccccc4)o3)CC2)c1 20178221 NSJLZOXQOTUFIH-RUZDIDTESA-N 424.548 5.265 0 40 HKAB Cc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)Nc2nccs2)cc1 20182365 BBYWMULHRAZMTH-UHFFFAOYSA-N 424.526 5.379 0 40 HKAB O=C(NC1CCCC1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20729718 ZRYWFAXYELDUCX-QHCPKHFHSA-N 402.538 5.192 0 40 HKAB CCc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 21578833 HDIWRSYURGAJHQ-UHFFFAOYSA-N 414.505 6.000 0 40 HKAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc(C)n([C@H](C)c2ccccc2)c1C 24975711 MXRJUTZRTHMRCD-HXUWFJFHSA-N 417.553 5.042 0 40 HKAB CCN(C(=O)COc1ccccc1)[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27991148 LQGXLJLESWOCEQ-AREMUKBSSA-N 414.505 5.193 0 40 HKAB C[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 28291123 BTRNZOWHUQKECY-CQSZACIVSA-N 419.283 5.528 0 40 HKAB Cc1cc(C)c2oc(C(=O)N(Cc3cccc(Cl)c3)c3ccccn3)c(C)c2c1 28292726 ZFMCHUXHSSNAMI-UHFFFAOYSA-N 404.897 6.253 0 40 HKAB CN(CCOC12CC3CC(CC(C3)C1)C2)C(=O)C1(c2ccc(Cl)cc2)CCCC1 30953035 MMGFKHHBHVHKQM-UHFFFAOYSA-N 416.005 5.596 0 40 HKAB Cc1nc(-c2ccccn2)sc1C(=O)N(Cc1c(F)cccc1Cl)C1CC1 32903498 UMZNHUJWIBFDBU-UHFFFAOYSA-N 401.894 5.111 0 40 HKAB CCOc1cccc2c1O[C@@H](c1ccccc1Cl)N1N=C(c3ccc(F)cc3)C[C@H]21 34138828 JTEQEMVOLOOFEG-QPPBQGQZSA-N 422.887 6.120 0 40 HKAB O=C(c1cccc(Br)c1)N(Cc1ccc(Br)cc1)C1CC1 40069621 ZDUZNNLKPWNBFW-UHFFFAOYSA-N 409.121 5.016 0 40 HKAB Brc1ccc2c(Br)c(OCC[C@H]3CCCNC3)ccc2c1 42770336 WAQLMQPXDFRIID-GFCCVEGCSA-N 413.153 5.133 0 40 HKAB COc1ccc(-c2cnc(SCC(C)C)n2-c2ccc(OC(F)F)cc2)cc1 44088117 BARXBQWIEAUNHO-UHFFFAOYSA-N 404.482 5.897 0 40 HKAB CC[C@H](NC(=O)CSc1nc2ccccc2s1)C12CC3CC(CC(C3)C1)C2 67317252 RJVYYMOOEXEGKL-NAVXVDNBSA-N 400.613 5.500 0 40 HKAB COc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1OC 101218856 AAKYOPXWNBSLNR-FPOVZHCZSA-N 403.457 5.339 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCC(=O)O)C1 118925356 JBALICPRCDQXRA-XYFYQHHCSA-N 416.602 5.998 0 40 HKAB Cc1cc(OCC(=O)NCCSCc2c(Cl)cccc2Cl)ccc1Cl 218937223 DPJBTBLZHDKYFD-UHFFFAOYSA-N 418.773 5.384 0 40 HKAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222804194 YIJYOHVTTVTURC-MOPGFXCFSA-N 418.349 5.641 0 40 HKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 222820380 KTYJBOVAIBZGOA-WOJBJXKFSA-N 414.937 5.046 0 40 HKAB CCc1ccc([C@@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 222964231 BXGXAUDUFVWSLG-MRXNPFEDSA-N 402.941 5.131 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 223029476 LMBZICSLFBCVDE-FCHUYYIVSA-N 403.950 5.718 0 40 HKAB COc1ccc(CNC(=S)Nc2ccc(Nc3ccc4ccccc4c3)nc2)cc1 223928035 OCYOAACOKXCCLB-UHFFFAOYSA-N 414.534 5.474 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)c1 224784044 UZUHUEXKWIWRGF-QFIPXVFZSA-N 407.554 5.840 0 40 HKAB CCOc1ccc(-c2cnc(CCC(=O)N3CCC(Cc4ccccc4)CC3)o2)cc1 224860521 BBYWNAPDITUDSD-UHFFFAOYSA-N 418.537 5.154 0 40 HKAB COc1ccc(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 225024799 VSDHYGXTWYMZEP-UHFFFAOYSA-N 415.533 5.713 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(C(C)(C)C)cc1 225182048 GYCYCMDDBDOJEY-DEOSSOPVSA-N 409.570 5.216 0 40 HKAB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(F)cc2C)c1 225599489 JLECOUDSTPWUAP-UHFFFAOYSA-N 421.877 5.389 0 40 HKAB CCO[C@@]1(C(=O)Nc2ccc(OCCC(C)(C)OC)c(Cl)c2)CCC[C@@H](C)C1 225718920 XIILMYQAISAILG-ZHRRBRCNSA-N 411.970 5.458 0 40 HKAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1ccccc1Sc1ccccc1 225736809 JLJPWYFYVQWPIX-UHFFFAOYSA-N 420.921 5.445 0 40 HKAB COc1ccc(C2(C(=O)Nc3ccc(OC)c(C(F)(F)F)c3)CCCCC2)cc1 225767702 RWSMWPDOFSGNCS-UHFFFAOYSA-N 407.432 5.563 0 40 HKAB O=C(c1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1)N1CCCCC1 225871104 STGFWMKYXURMEM-UHFFFAOYSA-N 413.612 5.130 0 40 HKAB O=C(O)CCc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 226342273 YMRCYRCFCHUULR-UHFFFAOYSA-N 404.087 5.352 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408646193 VTENZPGPOBNRLD-JTQLQIEISA-N 417.214 5.004 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(CSc2ccccc2)cc1 408910836 LRGWWLIKAFKNNM-UKTHLTGXSA-N 414.357 6.938 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1Cc3ccccc3[C@@H]21 408987657 BNBWQJNJHDXNCR-SESVDKBCSA-N 410.300 6.163 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccccc1 409028193 IQWMZTHBMRZBNO-UHFFFAOYSA-N 410.926 5.001 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c(C)c1 409109414 DIVVFJPNIXKDNJ-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB CCOc1cc(-c2nc(O)c3ccccc3n2)ccc1OCc1c(F)cccc1Cl 409252954 UOFUJBILVPMBJO-UHFFFAOYSA-N 424.859 5.773 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1 409370336 PAXMEJAXKWCXEO-UHFFFAOYSA-N 408.929 5.840 0 40 HKAB O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1nc(-c2cccs2)cs1 585150273 IZVWHTYISNKBGF-UHFFFAOYSA-N 406.536 5.324 0 40 HKAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(c2cccc(Oc3ccccc3F)c2)C1=O 1615612167 BEEKRYQQEJVKLM-QHCPKHFHSA-N 424.859 5.633 0 40 HKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1ccc(Cl)c(Cl)c1 723842 YXAOBFMHVONOTH-UHFFFAOYSA-N 424.378 5.608 0 40 HKAB CCOc1ccc(NC(=O)CCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 1000192 KMWKJHMDCJDKQY-UHFFFAOYSA-N 416.521 5.033 0 40 HKAB COc1ccc(-c2c(C)oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3c2=O)cc1 1322571 ODGCNJOZODJNMZ-UHFFFAOYSA-N 420.848 5.650 0 40 HKAB biogenic O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363887 UBGPIWKDXRLZBF-HNNXBMFYSA-N 402.281 5.063 0 40 HKAB Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1C(=O)Nc1ccc(Cl)cc1 1378958 TUPNNZWTMLXWDY-UHFFFAOYSA-N 406.294 5.263 0 40 HKAB COc1cc([C@H](Nc2cc(C)on2)c2c(C)[nH]c3ccccc23)cc(OC)c1OC 1448688 ZNHBAJAVRCBEQY-QFIPXVFZSA-N 407.470 5.000 0 40 HKAB CCCCSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@@H](C(C)C)C4 1820165 IXXKQRBWEFLLPN-GFCCVEGCSA-N 408.618 5.050 0 40 HKAB Cc1ccc(C(=O)Nc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1 1868029 XOTKZUPITMBPCN-UHFFFAOYSA-N 405.457 6.118 0 40 HKAB COc1ccccc1N1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1 2254552 AGPNLQIAEXSAEW-UHFFFAOYSA-N 417.534 5.240 0 40 HKAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccccc1OCc1ccccc1 2435609 UFWDVEYMOIGJPU-NDENLUEZSA-N 424.283 5.917 0 40 HKAB CCCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccc(Cl)c1 2589988 MJXSYCNCNTXTAH-UHFFFAOYSA-N 418.950 5.076 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccc(C)cc4)ncnc32)cc1 2714690 KYSPAWSMCFPYCI-UHFFFAOYSA-N 420.516 6.017 0 40 HKAB O=C1c2ccccc2N[C@@H](c2ccccc2C(F)(F)F)N1c1ccc(Cl)cc1 2746505 FHBJYZYFYIIUSX-LJQANCHMSA-N 402.803 6.130 0 40 HKAB Fc1ccc(-c2csc(-n3nc(C(F)(F)F)cc3-c3ccc(Cl)cc3)n2)cc1 3765372 GAOVGJHEZJINIC-UHFFFAOYSA-N 423.822 6.474 0 40 HKAB FC(F)(F)c1cccc(-c2cc(-c3csc(-c4ccc(Cl)cc4)n3)on2)c1 4091448 ZTEYUKODMPMETL-UHFFFAOYSA-N 406.816 6.804 0 40 HKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)c1 4122970 HPFSLNHEZYASPE-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB CCCCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 4282001 SKFGCOYVSPGRHC-URXFXBBRSA-N 422.912 6.354 0 40 HKAB O=C(Oc1ccccc1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 4523600 ZTWWRNLTLUPPGZ-UHFFFAOYSA-N 404.263 5.884 0 40 HKAB CCCCOc1ccc(C(=O)N2CCN(c3ccnc4cc(Cl)ccc34)CC2)cc1 4694137 FXXDXDQEWLGFPP-UHFFFAOYSA-N 423.944 5.030 0 40 HKAB Cc1nc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)sc1C 4848627 KMTMSJMANUDYJM-UHFFFAOYSA-N 419.575 5.630 0 40 HKAB Cc1ccc(CN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)c2ccco2)cc1 4880897 HRUVBJVGHCPFBR-UHFFFAOYSA-N 418.924 6.249 0 40 HKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)c1 5235761 SMOYYAXIDSETEC-QFIPXVFZSA-N 409.533 5.530 0 40 HKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccco4)cc3n2)cc1 6264749 PLJWAEWAANQTOV-OUKQBFOZSA-N 400.482 5.316 0 40 HKAB COc1cccc(N2C[C@H](c3nc4ccccc4n3CCC3CCCCC3)CC2=O)c1 6275270 DFOXXEPHXVQAJD-HXUWFJFHSA-N 417.553 5.536 0 40 HKAB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1 6297211 IOYSJDBNAJIWAP-RPPGKUMJSA-N 401.388 5.134 0 40 HKAB O=c1[nH]c(/C=C/c2ccc(OCc3ccccc3)cc2)nc2sc3c(c12)CCCC3 6566980 BXVHEEBUJCRXDI-NTCAYCPXSA-N 414.530 5.613 0 40 HKAB CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 6570177 DWUHVHPIQOCITD-UHFFFAOYSA-N 418.537 5.640 0 40 HKAB Clc1ccccc1-c1nnc([C@@H](Nc2cccc3c2CCCC3)c2ccccc2)o1 6794265 UQVZYXLUTXLTPJ-QHCPKHFHSA-N 415.924 6.470 0 40 HKAB COc1ccc(Cl)cc1N[C@@H](c1ccccc1)c1nnc(-c2ccccc2F)o1 6825342 JRYPRDDFJLXOOC-FQEVSTJZSA-N 409.848 5.739 0 40 HKAB Cc1noc(C)c1CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 6881212 FMGVXHHSROINMJ-UHFFFAOYSA-N 400.891 5.137 0 40 HKAB O=C(CSc1ccccc1)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 6919201 UUYJGZFWDYWWQM-QHCPKHFHSA-N 410.466 5.269 0 40 HKAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 6927336 POFKIMJZNMOAJA-SKBVVQJISA-N 402.582 5.060 0 40 HKAB Cc1n[nH]c(=S)n1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 7602681 SWZXUDAHLLUYBD-UHFFFAOYSA-N 410.930 5.378 0 40 HKAB CCCOc1ccc(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)[nH]2)C(=O)O)cc1 7603332 MJZJISKGICDNAW-SFQUDFHCSA-N 415.902 5.132 0 40 HKAB COc1cccc(CS[C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)c1 7717702 PXCVMEUQYLVWRS-OLZOCXBDSA-N 400.569 5.112 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)cc2)cc1C 7928146 DGMCLFQIMKWESC-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccc(Cl)cc1F 8000834 JYSMUNXCIZDGOL-IBGZPJMESA-N 406.935 5.188 0 40 HKAB Cc1cccc(-c2nnc([C@H](C)Sc3nnc(-c4cccs4)n3C3CC3)o2)c1 8075539 QEJMPEXMQBIGQG-ZDUSSCGKSA-N 409.540 5.553 0 40 HKAB CCc1ccccc1N(C(C)=O)c1nc(COC(=O)c2ccc(C)c(F)c2)cs1 8260074 CWWJGHFRBXROJZ-UHFFFAOYSA-N 412.486 5.195 0 40 HKAB Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)c2)c1 8382843 FBWQRHURPQVQNK-MRXNPFEDSA-N 408.885 5.307 0 40 HKAB O=C(Cc1cccs1)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1 8855244 HPZLLNQNMIJGDF-UHFFFAOYSA-N 415.487 5.092 0 40 HKAB aggregator CCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccccc1Cl 9059854 OJHCKXYNFOPUCK-UHFFFAOYSA-N 406.917 5.964 0 40 HKAB Cc1coc2c(C)c3oc(=O)c(CC(=O)Nc4cccc5ncccc45)c(C)c3cc12 9547147 OURVMUUQMHRMSD-UHFFFAOYSA-N 412.445 5.194 0 40 HKAB O=C(c1cccnc1Sc1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 9607489 VFTHJMZMCYWPNF-UHFFFAOYSA-N 415.518 5.394 0 40 HKAB Cc1noc(C)c1C(=O)O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 9641577 SQFKUNBJKBGZFJ-SFHVURJKSA-N 419.264 5.135 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(CN2CCCC2)cc1 10328511 ASEYSCDGBCZYIJ-UHFFFAOYSA-N 416.590 6.135 0 40 HKAB CCOc1ccc(-c2nonc2NC(=O)c2oc3cc(C)c(Cl)cc3c2C)cc1 12111303 ARGVKWMCVJSXEL-UHFFFAOYSA-N 411.845 5.404 0 40 HKAB Clc1ccc(C2=NNC(c3cccs3)=Nc3ccc(Br)cc32)cc1 12486592 BVSRETHLXCEUBN-UHFFFAOYSA-N 416.731 5.598 0 40 HKAB Cc1nc2ccccc2n1CCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 12535399 WLLVJHMHIDOHJY-UHFFFAOYSA-N 413.399 5.054 0 40 HKAB Cc1occc1-c1nnc(S[C@H](C)C(=O)N2[C@@H](C)CCC[C@H]2C)n1-c1ccccc1 12598920 HXTAHZCYGKCMSJ-SOLBZPMBSA-N 424.570 5.106 0 40 HKAB CN(Cc1ccccc1NCC(=O)Nc1cccc2ccccc12)C1CCCCC1 13041009 RKZVHSQPNBNOLS-UHFFFAOYSA-N 401.554 5.655 0 40 HKAB O=C1c2ccccc2[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1C[C@H]1CCCO1 13943797 APKZQOMPEBDJIF-BCHFMIIMSA-N 408.501 5.559 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1 13946184 TXXULGUSOFZLND-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1Cl)c1ccccc1 13999434 XHFCNKMIWYRORW-INFVRCAFSA-N 404.897 5.483 0 40 HKAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)N(C1CC1)C(c1ccc(F)cc1)=N2 14017540 GFJKYTOTUNFCFO-RUZDIDTESA-N 422.507 5.966 0 40 HKAB Cc1ccc([C@@H](NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c2ccccc2)cc1 14092882 WNRZHSXBXMWQLP-DEOSSOPVSA-N 410.473 5.360 0 40 HKAB O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCC[C@@H]2CCCC[C@@H]21 14181018 HPLWIVHROGPNPO-FPOVZHCZSA-N 410.583 5.047 0 40 HKAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cc(Cl)sc1Cl 14241726 VIDFLHLBIAQPSF-UHFFFAOYSA-N 412.125 5.072 0 40 HKAB CCOc1cc(CN(Cc2cn3cc(Cl)ccc3n2)C2CC2)ccc1OC(F)F 16419431 KFCNDHVVFNIEBC-UHFFFAOYSA-N 421.875 5.152 0 40 HKAB Cc1ccc(NC(=O)COc2cccc3ccc(N4CCC[C@H](C)C4)nc23)cc1Cl 17120590 XTEONKVYJCIFRY-INIZCTEOSA-N 423.944 5.450 0 40 HKAB COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)c3cc(C(C)C)on3)on2)cc1 19452724 BSKPVVKCJQONPE-FQEVSTJZSA-N 409.486 5.219 0 40 HKAB COc1cc(CN[C@@H](Cc2cccs2)c2nccs2)ccc1OC1CCCC1 19550135 YCCGSBUFQQWRQM-IBGZPJMESA-N 414.596 5.608 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc(C(=O)O)c(Cl)cc1Cl 20145259 CCDUMOLYQBDEBO-VQHVLOKHSA-N 402.233 5.604 0 40 HKAB Cc1ccc([C@H](c2c(-c3ccccc3)n(O)c3ccccc23)N2CCN(C)CC2)cc1 20192839 CFIZBVFZOMLBEZ-AREMUKBSSA-N 411.549 5.191 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)c(Cl)c1 22518053 FOOHHCFWVXCVCU-UHFFFAOYSA-N 409.869 5.348 0 40 HKAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(COc2ccc(F)cc2F)o1 27983761 WAPNAFIQNGMMLT-UHFFFAOYSA-N 411.326 5.086 0 40 HKAB C[C@@H](Nc1nc2ccccc2s1)C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 29014970 IXPJXLJIAPYMMO-YJYMSZOUSA-N 411.527 5.203 0 40 HKAB S=C(Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCCC1 35200375 DJUIAJVWYKSBMS-UHFFFAOYSA-N 422.604 5.879 0 40 HKAB CSc1ccccc1C(=O)Nc1cnc(C)n1-c1nc(-c2cccs2)cs1 35682834 SEZYXUXXYORAMO-UHFFFAOYSA-N 412.565 5.340 0 40 HKAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 38754407 ZQKMHEPIBSHAKG-MOPGFXCFSA-N 416.521 5.146 0 40 HKAB Cc1nc(C)c([C@@H](C)N[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 56215037 LTOSBQYZIPUXTI-VXNVDRBHSA-N 406.766 5.398 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2ccccc2Cl)[nH]n1 57412228 FDGVTXLXCMOPHK-UHFFFAOYSA-N 403.869 5.561 0 40 HKAB Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1Br 58046071 GDHMSPSHBKQVLX-UHFFFAOYSA-N 413.243 5.313 0 40 HKAB Cc1ccccc1C(=O)Nc1cccc2c(Cl)c(C(=O)NC(C)(C)C)sc12 59294032 XQDRZNXEYWVORL-UHFFFAOYSA-N 400.931 5.644 0 40 HKAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72214686 NIFYVGWXDMNTFV-HXUWFJFHSA-N 409.530 5.210 0 40 HKAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC(COCc2ccc(Cl)cc2)CC1 77099678 CRASHWLUOJBZAB-UHFFFAOYSA-N 411.851 5.428 0 40 HKAB CC(C)(C)c1ccc(OCc2nc3ccccc3n2C[C@H]2CC2(Cl)Cl)cc1 82086786 NBIFWXHVYFRWHY-MRXNPFEDSA-N 403.353 6.107 0 40 HKAB Cc1noc(-c2ccccc2)c1C(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1 96011210 AURMWJLSSYKPRI-UHFFFAOYSA-N 423.900 5.182 0 40 HKAB Cc1noc([C@@H](Sc2nnc(-c3ccco3)n2C2CCCCC2)c2ccccc2)n1 97000554 KIDHVZFQQNBBCD-IBGZPJMESA-N 421.526 5.616 0 40 HKAB COc1cccc(C[C@@H]2C(=O)Nc3ccc(Br)cc32)c1OC1CCCC1 101014549 PFUPSMHPJRDROX-KRWDZBQOSA-N 416.315 5.058 0 40 HKAB O=C1/C(=C/Nc2ccccc2)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 102944979 GUXNRAWPIDLRLJ-NBVRZTHBSA-N 408.379 5.345 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccccc2)cc1 102974585 LRKCLMUKMSOCKB-GMAHTHKFSA-N 409.316 6.544 0 40 HKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)N(Cc1ccccc1)C1CC1 103570247 HDPRNAOBXWODGJ-NFAVZRQZSA-N 402.376 5.302 0 40 HKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)[C@H]1C[C@@H]1C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 216095883 OKUZYZZYXCUVKO-TVFXNNBBSA-N 406.607 5.631 0 40 HKAB Cc1c([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n(-c2cccc(Cl)c2)c1C 222726264 LDUKCDACFQKMOF-RTWAWAEBSA-N 410.974 5.053 0 40 HKAB CC[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)CCCC2 223017186 VZTPVEUKUXDTMN-AREMUKBSSA-N 415.602 6.739 0 40 HKAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 223437360 YXWBTTZPWKQPQX-UHFFFAOYSA-N 405.928 5.655 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc(-c2ccc(F)cc2)on1 224068890 HMDRYMZACGENTB-UHFFFAOYSA-N 420.827 5.617 0 40 HKAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1cccc(Cl)c1 224150728 NLMISSWGIRTIAI-UHFFFAOYSA-N 407.897 5.126 0 40 HKAB Nc1c(-c2cccc(Br)c2)c(C(F)(F)F)nn1-c1ccc(Cl)cc1 225181304 PLOTWPYPAZGCRH-UHFFFAOYSA-N 416.628 5.556 0 40 HKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)CCc1ccc(Cl)cc1 225309352 ZRDQLGVMNBMLII-UHFFFAOYSA-N 416.304 6.366 0 40 HKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)Cc1ccccc1Cl 225440041 NGDBDPRIUMBJTJ-UHFFFAOYSA-N 402.277 5.976 0 40 HKAB CC(C)C[C@@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 225495707 FIVQEGRMTHHPLE-JOCHJYFZSA-N 409.599 5.387 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)ccc1O[C@@H](C)CC 225680129 YDICNCZGBYWNCC-IBGZPJMESA-N 423.553 5.800 0 40 HKAB COc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)cc1C(F)(F)F 225955275 YHOMIZBLZJYKSP-UHFFFAOYSA-N 411.423 5.389 0 40 HKAB Cc1cc(N)cc(Br)c1NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 227145769 MUYBULNBWIWPFT-VQHVLOKHSA-N 415.262 5.391 0 40 HKAB O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)C12CC3CC(CC(C3)C1)C2 408562620 QZEOBFVHCSXEEX-UHFFFAOYSA-N 406.473 5.984 0 40 HKAB O=C(Nc1c(Cl)cccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1 408579882 LAQPJVPRHFIBBP-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB Cc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2cc(Cl)ccc2C)n1 408699448 UHMCJMKLGVVBNV-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 408723012 PMJHZMOASIOKIY-UHFFFAOYSA-N 420.921 6.391 0 40 HKAB CCc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 409118784 OESJAGTVMBGQDY-UHFFFAOYSA-N 420.767 7.400 0 40 HKAB CCN(CC)c1nc(OCC(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1 850757 MELAKFNESFFCRA-UHFFFAOYSA-N 417.435 5.129 0 40 HKAB COc1ccc(NC(=O)/C(Cl)=C(/Cl)SCc2ccccc2Cl)cn1 1383569 UCQIGRAAQLUNDC-CCEZHUSRSA-N 403.718 5.262 0 40 HKAB Cc1cc(C)n2cc(-c3ccc(Cl)cc3)c(C(=O)Nc3cccc(Cl)c3)c2n1 1388036 HRCGDRYAIRJCTC-UHFFFAOYSA-N 410.304 6.177 0 40 HKAB Cc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4cccc(O)c4)cs3)n2)cc1 1413638 TUGCVYQTUCRHNB-UHFFFAOYSA-N 401.413 5.696 0 40 HKAB Cc1ccc(C)c(OCCCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 1779146 LJARFCAEDZDYTE-UHFFFAOYSA-N 421.924 5.986 0 40 HKAB CCCCCOC(=O)CSc1nc(N)c2c3c(sc2n1)C[C@H](C(C)(C)C)CC3 1904087 KSHFTTNJLPZHDQ-CYBMUJFWSA-N 421.632 5.250 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)c1 2062263 XSFRBOAKKQQVAP-UHFFFAOYSA-N 404.441 6.065 0 40 HKAB CCc1ccccc1-n1ncc(-c2nn3c(-c4cc(C)cc(C)c4)nnc3s2)c1C 2183269 IVZZRDJKGOQGFK-UHFFFAOYSA-N 414.538 5.193 0 40 HKAB Oc1nncc(SCc2ccccc2Cl)c1SCc1ccccc1Cl 2183677 SZWPTWZVIULNNU-UHFFFAOYSA-N 409.363 6.074 0 40 HKAB Cc1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1C 2263640 YIDSXUSOPBXXBT-UHFFFAOYSA-N 414.509 5.262 0 40 HKAB Clc1ccc(-c2nc(Nc3ccccc3Cl)c3ccccc3n2)cc1Cl 2269865 CHQBOCIJNRSPDQ-UHFFFAOYSA-N 400.696 7.001 0 40 HKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(N[C@H]4C[C@@H](C)CC(C)(C)C4)ncnc32)c1 2714917 POPIZNUTAKRJLD-IRLDBZIGSA-N 424.592 7.023 0 40 HKAB CCOc1ccc(-c2nc3sc4c(c3c(-c3ccccc3)c2Cl)CCCC4)cc1 3348746 IGLPZTJTXUOOEZ-UHFFFAOYSA-N 419.977 7.561 0 40 HKAB Cc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 3352604 OIFFAKWPUCRRIQ-GUOLPTJISA-N 412.700 5.539 0 40 HKAB O=C(CCc1ccccc1)Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2 4167568 IBAVDOBMXFOIHT-UHFFFAOYSA-N 418.587 6.475 0 40 HKAB CCOc1ccc(Nc2cc(C(=O)Nc3ccccc3OC)c3ccccc3n2)cc1 4550242 KKFXBXGUABIOLM-UHFFFAOYSA-N 413.477 5.638 0 40 HKAB CCCC[C@H](CC)CNC(=O)c1cc2cc(Oc3ccc4c(c3)OCO4)ccc2[nH]1 4696032 PIZVFTMGJKOVKY-INIZCTEOSA-N 408.498 5.635 0 40 HKAB CCc1c(C)sc2nc(C(C)C)nc(SCC(=O)Nc3nc(C)cs3)c12 4888835 XOIGJCAMQAIKFH-UHFFFAOYSA-N 406.602 5.181 0 40 HKAB COCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(-c2cccc(C)c2)s1 4982541 PYHFMCYIMBWTHN-UHFFFAOYSA-N 409.555 5.104 0 40 HKAB CC(C)(C)c1ccc(Cn2c(Cc3cccc4ccccc34)nc3ccccc32)cc1 5454433 TVPGXTKVERILLC-UHFFFAOYSA-N 404.557 7.126 0 40 HKAB Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN23)cc1 5603168 KPQJBAGUKHGXBF-YKSBVNFPSA-N 418.880 5.354 0 40 HKAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)c(C)c1 6549772 FADBUWIXDZMMGE-KRWDZBQOSA-N 406.555 5.189 0 40 HKAB O=C(CSc1nc2ccccc2o1)N1c2ccccc2OC[C@@H]1c1ccccc1 6651981 LUWNETMNUTULKS-LJQANCHMSA-N 402.475 5.087 0 40 HKAB COc1cccc(NC(=O)[C@H](Nc2ccc3nc(C)sc3c2)c2ccccc2)c1 7241957 RNKYRLWIIQXUGG-JOCHJYFZSA-N 403.507 5.405 0 40 HKAB CC(C)Oc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1 7603242 JEJFUJOLGGNLMI-BOPFTXTBSA-N 416.886 5.395 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 8336352 WGANKMPGBORNOX-UHFFFAOYSA-N 409.554 7.207 0 40 HKAB CCc1ccc(-c2csc3ncn(C(c4ccccc4)c4ccccc4)c(=O)c23)cc1 8717912 HVLMXGCITZNESG-UHFFFAOYSA-N 422.553 6.325 0 40 HKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)cc1)N(c1nccs1)C3=O 9328334 SQKWYUFZHFLGQQ-GOSISDBHSA-N 422.893 5.270 0 40 HKAB O=C(NC1CCCCC1)N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 9607488 ISBMNIMZUILTFL-LJQANCHMSA-N 410.905 5.111 0 40 HKAB Cc1nc(-c2ccc(CNC(=O)c3ccc(CN4CCCCC4)cc3)s2)cs1 10105415 HYXGQVQPLJQTQY-UHFFFAOYSA-N 411.596 5.096 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 12600510 NRLCZUDRRBTFJS-XQFWAAQXSA-N 422.521 5.078 0 40 HKAB CC[C@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCc4ccccn4)c23)CO1 13228255 NMNUOOSCENFFLV-OAQYLSRUSA-N 414.600 5.440 0 40 HKAB O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccc(Cl)c(Cl)c1 13284038 LZCRNQQVHXCYRD-UHFFFAOYSA-N 412.729 5.563 0 40 HKAB Cc1csc(N(C(=O)c2cccc(OCc3csc(C)n3)c2)c2ccccc2)n1 14678894 KNIVSSNCGWKYTA-UHFFFAOYSA-N 421.547 5.774 0 40 HKAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)C(Cl)(Cl)Cl 17083300 AQVLPVSQPWMTQS-UHFFFAOYSA-N 406.121 5.925 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1OC(F)F 17093762 PDHJIYGPGTUJDC-JXMROGBWSA-N 424.230 6.507 0 40 HKAB Cc1ccc([C@H](Cc2ccsc2)NCc2cccc(OCc3ccccn3)c2)nc1 19215543 FGGOQWGIFPXPNA-VWLOTQADSA-N 415.562 5.499 0 40 HKAB COc1ccc(OC)c(CN(C(=O)c2sc(-c3cccs3)nc2C)C2CC2)c1 25808131 GTIHYMJEJZUWHL-UHFFFAOYSA-N 414.552 5.002 0 40 HKAB CCOC(=O)c1cc(NC(=O)c2ccccc2CCc2ccccc2)ccc1Cl 30852278 BMKUFBQESAJBGS-UHFFFAOYSA-N 407.897 5.554 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)COc3ccccc3Cl)c2)cc1 30870643 YHNNQVZNRAFFIW-UHFFFAOYSA-N 421.924 5.886 0 40 HKAB CCCCc1ccc([C@H](NC(=O)CCc2nnc(-c3ccsc3)o2)C(C)C)cc1 30934415 VFKWQUWPYJMMGX-JOCHJYFZSA-N 411.571 5.587 0 40 HKAB COc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c3c2CCCCCC3)cc1 35324307 GPZCFAJHPHLBAW-UHFFFAOYSA-N 417.940 6.384 0 40 HKAB Cc1ccc2c(c1)c1ncn(CCc3ccccc3)c(=O)c1n2Cc1ccccc1F 35400720 DPLRLFGGTRDMEB-UHFFFAOYSA-N 411.480 5.090 0 40 HKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(CSc2ccccc2)cc1C 44848497 WRYPPXXMWZJFRJ-DEOSSOPVSA-N 419.590 6.700 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](c1ccccc1)c1ccccc1C 44900110 WBFXLSMSJLXXRF-KAYWLYCHSA-N 409.529 6.211 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C)c1C 49005045 AYUDZQYFTGHFJS-LJQANCHMSA-N 402.542 5.703 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c(OC)c1 57314020 SHUVARMYPRPZNY-UHFFFAOYSA-N 424.456 5.918 0 40 HKAB C[C@H](N[C@H](c1ccccc1)c1cccs1)C(=O)Nc1cccc(Br)c1 57593876 LAWMZDSMQXGDAW-IFXJQAMLSA-N 415.356 5.217 0 40 HKAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCc1cc(Cl)cc(Cl)c1 60111403 LEAKWPQWAMEXHG-UHFFFAOYSA-N 408.716 5.113 0 40 HKAB CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCN2C(=O)CC2CCCCC2)n1 72390713 WURVGRDRLYPQFB-FQEVSTJZSA-N 410.562 5.335 0 40 HKAB Cc1cc(Oc2ncccn2)ccc1NC(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1 89589032 YVBWGRIQOGBHPW-FPYGCLRLSA-N 419.868 5.201 0 40 HKAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ccccc1C(F)(F)F 90593078 IRVXCLFTYXFBHG-UHFFFAOYSA-N 410.848 5.721 0 40 HKAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCc2c([nH]c3ccccc23)C1 95475285 LXBSOFBARMSUNQ-IBGZPJMESA-N 417.940 5.382 0 40 HKAB biogenic O=C(NCc1ccncc1)c1ccc2c(c1)[C@H]1[C@H]([C@@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 101283086 JSCCSZCZIMJDCI-ZZQRXJRJSA-N 409.533 5.308 0 40 HKAB COCCn1c(-c2cc3ccccc3o2)cs/c1=N/c1ccc(OC(F)F)cc1 105756532 CEANZDHMIJUXTN-DARPEHSRSA-N 416.449 5.443 0 40 HKAB O=C1S/C(=C\c2ccc(Br)cc2)C(=O)N1Cc1ccc(Cl)cc1 106685990 YXIZTEJNNPTZSS-DHDCSXOGSA-N 408.704 5.339 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118912621 LZHRRGGNNXYJOT-MXADNQSASA-N 402.663 6.360 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@]3(O)[C@@H](O)C[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118932438 OXXQSPWNBIFGEP-AIQDWSEISA-N 404.679 6.584 0 40 HKAB COc1ccc(-c2cccc(CN(Cc3ccccc3)C3CCN(C)CC3)c2)cc1 141529168 QEFILZVFAGUCHI-UHFFFAOYSA-N 400.566 5.459 0 40 HKAB COc1cc(CNC(=O)CC(c2ccccc2)c2ccccc2)ccc1OC(C)C 219126438 MHWGZEMRVKIAJL-UHFFFAOYSA-N 403.522 5.321 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1cccc(C)c1 224385988 PXGXGHFBFOVGED-UHFFFAOYSA-N 421.493 5.242 0 40 HKAB Nc1c(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)nn1-c1cccc(Cl)c1 225180306 OAFJSPIJXCCIKQ-UHFFFAOYSA-N 406.622 6.101 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225848133 QEMAVRVOGXFRCT-MHECFPHRSA-N 421.578 5.745 0 40 HKAB Cc1cc(C)c(NC(=O)c2ccc(-c3ccc(Br)cc3Cl)o2)c(N)c1 226348799 RIDSXZIQSHQHRF-UHFFFAOYSA-N 419.706 5.814 0 40 HKAB O=C(c1ccc(-c2cccs2)cc1)N1CC[C@H](Oc2cccc3cccnc23)C1 244986098 JFVAVNMHWQTAGN-FQEVSTJZSA-N 400.503 5.257 0 40 HKAB CCCCO[C@]12N=C(N)S[C@@H]1C[C@@H]1[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C 253524998 RSIJHRRFYQHUQH-PFZOMXFUSA-N 404.664 5.972 0 40 HKAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cc4ccccc4[nH]3)o2)c1 257214006 CKBXLMDOPUZNDS-HSZRJFAPSA-N 415.493 5.123 0 40 HKAB O=C(O)/C=C/c1ccc(CN2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cc1 257215780 CRPNYBSMDSKXAZ-FQTAANOTSA-N 422.912 5.354 0 40 HKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260817003 UEOLEYFTAPESDU-NRFANRHFSA-N 418.622 5.213 0 40 HKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 408576385 SXPGITYOKWDUKK-DKERFCRFSA-N 405.607 6.582 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C)c(C)c3)c3ccccc3n2)cc1 408644006 DCOONIUKOJBQSA-UHFFFAOYSA-N 424.500 5.623 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2cccc(C)c2C)c1 408696935 GKAXHEWQYSZIRZ-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(F)cc3)cc2-c2cccc3ccccc23)c1 408726726 SZUCTIICMBMMOS-UHFFFAOYSA-N 421.475 6.392 0 40 HKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C)n(C4CCCCC4)c3C)S2)cc1 408780226 VTUDTBFKVAGYEB-DLBLZJNESA-N 409.599 5.772 0 40 HKAB CCc1cccc2c(/C=C3\SC(=O)N(CC)C3=O)cn(Cc3ccccc3Cl)c12 409143974 OVGHMVFFCKEEHP-NDENLUEZSA-N 424.953 5.962 0 40 HKAB CCc1s/c(=N\C(=O)C(c2ccccc2)c2ccccc2)n(C)c1-c1ccccc1 409205000 FEKYHHRMIBCPRV-RQZHXJHFSA-N 412.558 5.575 0 40 HKAB Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2)cc1 409388779 NOXCMDDBWLPVEQ-UHFFFAOYSA-N 418.349 5.798 0 40 HKAB O=C(N[C@H](c1cccs1)C1CCOCC1)c1ccc2noc(-c3ccccc3)c2c1 618256129 NYVSVXMTYSUYAI-QFIPXVFZSA-N 418.518 5.454 0 40 HKAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 2037845982 JKJMROCOEIIURB-SFHVURJKSA-N 419.912 5.420 0 40 HKAB O=C1CC[C@@H](c2ccccc2)c2cc(Oc3c(F)c(F)nc(F)c3Cl)ccc21 721928 ZOBOUTQIYXRUTD-ZDUSSCGKSA-N 403.787 6.053 0 40 HKAB CCc1ccccc1Oc1coc2cc(OC(=O)c3cccc(OC)c3)ccc2c1=O 952079 ODRSMFKOHOFEKE-UHFFFAOYSA-N 416.429 5.376 0 40 HKAB COc1ccccc1Oc1nc(-c2ccccc2)c2cc(Br)ccc2n1 1254934 GXHBAHLNKANVJN-UHFFFAOYSA-N 407.267 5.860 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1 1369085 LQRATDFWKBPIBH-HZPDHXFCSA-N 423.504 5.474 0 40 HKAB CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](S)CC[C@]4(C)[C@H]3CC[C@@]21C 2083327 XKCSBVSQDYCBQX-LZYXPVFYSA-N 402.732 8.614 0 40 HKAB biogenic COC(=O)Cc1c(C)c2cc(Cl)c(OCc3cccc4ccccc34)cc2oc1=O 2093923 KCLBZUFJCWILJJ-UHFFFAOYSA-N 422.864 5.203 0 40 HKAB biogenic COc1ccc(-c2cc(=O)oc3c(C)c4occ(-c5cccc(OC)c5)c4cc23)cc1 2121299 VPBAFKLFTWXGLS-UHFFFAOYSA-N 412.441 6.199 0 40 HKAB biogenic Cc1coc2cc3oc(=O)c(CCC(=O)N[C@H](C)CCc4ccccc4)c(C)c3cc12 2151883 XJXUQCAZMFMUIH-QGZVFWFLSA-N 417.505 5.226 0 40 HKAB biogenic Cc1ccc(C)c(C(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)c1 3349284 IUEMJGGGZZEXHW-UHFFFAOYSA-N 406.985 5.909 0 40 HKAB CC[C@@H](c1ccccc1)[C@](O)(c1ccc(OCCN2CCCC2)cc1)c1ccco1 3846966 MMNKRZBIPYLJRJ-AZGAKELHSA-N 405.538 5.184 0 40 HKAB biogenic COc1ccc(NC(=O)CSc2cn(Cc3cccc(C)c3)c3ccccc23)cc1 4059682 UAESHBBMFUXVPX-UHFFFAOYSA-N 416.546 5.737 0 40 HKAB COc1ccc(Br)cc1/C=C/C(=O)Oc1ccc(C2CCCCC2)cc1 4503118 UYZXPUWHYHRDEO-NTEUORMPSA-N 415.327 6.124 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 4704361 MZWDTFBBBZEGRO-UHFFFAOYSA-N 403.831 6.520 0 40 HKAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(Oc2ccccc2)c1 4731439 IETKXVASRIOTQI-HSZRJFAPSA-N 411.461 5.291 0 40 HKAB C=Cc1ccc(COc2ccc(-c3n[nH]cc3Oc3ccccc3OC)c(O)c2)cc1 5177188 DCJJITPIJHKENB-UHFFFAOYSA-N 414.461 5.805 0 40 HKAB Clc1ccc2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1[C@@H](c1cccs1)O2 5194457 YQWFXWDKBISWTO-ZJSXRUAMSA-N 416.933 6.797 0 40 HKAB COc1cccc(-c2c(NC(=O)c3ccccc3Cl)n(C)c3ccccc3c2=O)c1 5246843 GYDGMTKFBRUDHT-UHFFFAOYSA-N 418.880 5.120 0 40 HKAB CC(C)Oc1ccc([C@@H](CCNCc2ccc3c(c2)OCO3)C2CCCCC2)cc1 5267400 GYYPLBBYBCVLSO-DEOSSOPVSA-N 409.570 6.046 0 40 HKAB Oc1cc(OCc2ccc(F)cc2Cl)ccc1-c1ncncc1-c1ccccc1 6662191 NEGDRHDFCRIETB-UHFFFAOYSA-N 406.844 5.888 0 40 HKAB biogenic Cc1ccc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)c(C)c1 6901717 VVHXRLWLJOMGII-UHFFFAOYSA-N 407.477 5.177 0 40 HKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 6934849 BSOJJZLVYBCXAP-UHFFFAOYSA-N 410.901 5.368 0 40 HKAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N[C@H](C)c2ccncc2)cc1C 7184826 AVEPZHVOEDMUOF-HXUWFJFHSA-N 410.521 5.101 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 7778568 YGWPLUCSNVRSCV-UHFFFAOYSA-N 408.857 5.538 0 40 HKAB Cc1ccc(C)c(C(=O)[C@H](C)OC(=O)c2ccccc2OCc2ccc(Cl)cc2)c1 7990737 FRMVDHZJMBIPKE-SFHVURJKSA-N 422.908 5.964 0 40 HKAB O=C1/C(=C/c2ccc(Br)cc2)N=C(c2cccs2)N1Nc1ccccc1 8387478 KTBATBNTKBVAGP-LGMDPLHJSA-N 424.323 5.168 0 40 HKAB Clc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccccc2)c1 9124028 NSZYNNJZSXZZEP-UHFFFAOYSA-N 417.925 5.756 0 40 HKAB O=C(Nc1ccccc1Cl)c1nc(SCc2ccc(Cl)cc2)ncc1Cl 9135207 AUZYLELFKQZVRS-UHFFFAOYSA-N 424.740 5.981 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cc2ccccc2o1 9355150 NOADQCUHSRTSBL-UHFFFAOYSA-N 404.878 6.615 0 40 HKAB CCOC(=O)C1=C(C)N=C2C(=C(O)c3ccccc32)[C@H]1c1ccc(C(F)(F)F)cc1 9358299 KYIIMDKNFPZXHP-SFHVURJKSA-N 413.395 5.412 0 40 HKAB O=C(CSCc1nc2ccccc2[nH]1)Nc1nc(-c2ccc(Cl)cc2)cs1 9367154 OSFYZQZWRMQDOH-UHFFFAOYSA-N 414.943 5.212 0 40 HKAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)c1 9576767 XSYNDQOIVSXIKI-ZDUSSCGKSA-N 405.885 5.675 0 40 HKAB CC1(C)Cc2cccc(OCc3ccc(C(=O)NCc4c(F)cccc4F)cc3)c2O1 9659779 JCEKESGVISOVOU-UHFFFAOYSA-N 423.459 5.187 0 40 HKAB O=C(COC(=O)c1cc2ccccc2cc1O)Nc1ccc(Cl)cc1C(F)(F)F 9665457 ARZMIOZRIOEPDZ-UHFFFAOYSA-N 423.774 5.013 0 40 HKAB Cc1cc(NC(=O)c2cccs2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 12441848 USHDTECABPVEEZ-UHFFFAOYSA-N 400.916 5.271 0 40 HKAB O=C(Nc1cccc(C2SCCS2)c1)c1ccccc1C(=O)c1ccccc1 12799609 RSCDCVZJKPBAEW-UHFFFAOYSA-N 405.544 5.649 0 40 HKAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1cc(Cl)ccc1F 12877963 OVRWQGBUIXMQCK-LJQANCHMSA-N 406.935 5.188 0 40 HKAB CCc1cccc(C)c1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 12897748 OXKRWZZJAIJTEI-UHFFFAOYSA-N 400.931 5.428 0 40 HKAB Fc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccc(Cl)cc2Cl)cc1 14922268 NTXWFJRBKOBIKT-NRFANRHFSA-N 419.714 7.142 0 40 HKAB CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2Cl)CC1 17093708 YWWFGCLGRVSWKC-XVNBXDOJSA-N 423.771 6.535 0 40 HKAB Cc1ccc(Nc2nn(-c3nc4ccccc4s3)c3c2C(=O)CC(C)(C)C3)cc1 19817231 KRCNXZUONQYXDT-UHFFFAOYSA-N 402.523 5.689 0 40 HKAB COc1ccc([C@@H]2SCC(O)=Nc3n[nH]cc32)cc1OCc1cccc(Cl)c1 20744660 ZVWPHNUWCRQXCP-IBGZPJMESA-N 415.902 5.075 0 40 HKAB Clc1ccc(OCc2ccccc2Cl)c(CNC23CC4CC(CC(C4)C2)C3)c1 22073903 BDXKTXKUHFYAKO-UHFFFAOYSA-N 416.392 6.631 0 40 HKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1cccc2ncccc12 22097059 LMKFXHVXHDJQAB-UHFFFAOYSA-N 418.500 5.360 0 40 HKAB O=C(CSCc1ccccc1Br)Nc1ccccc1Br 22700247 IHDGFANVDRCJGV-UHFFFAOYSA-N 415.150 5.084 0 40 HKAB Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3ccc4ccccc4c3)n2)c1 27663848 XSKFWHZDZSWSRO-UHFFFAOYSA-N 419.937 6.136 0 40 HKAB O=C(Cc1cccs1)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 29957206 GXTZNDRJSSIEDK-LJQANCHMSA-N 415.440 5.092 0 40 HKAB Cc1nc(CSCCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cs1 29981512 ZXSLYPGAUQLSGO-MRXNPFEDSA-N 403.598 5.048 0 40 HKAB CSc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 30938087 ZPZIBMPNAXSVJU-UHFFFAOYSA-N 409.382 5.566 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1OCc1nc(-c2ccccc2)no1 32578531 URYPVDNYPHTGJU-UHFFFAOYSA-N 423.831 5.360 0 40 HKAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1sc2ccccc2c1C 32777963 ACHIQBZVDLFXJH-UHFFFAOYSA-N 400.931 5.272 0 40 HKAB COc1ccc(-c2cc(OCC(=O)Nc3c(C)cccc3C)c3ccccc3n2)cc1 32985621 UNJRBMOIZYRYKE-UHFFFAOYSA-N 412.489 5.545 0 40 HKAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)c(OC)c1 36360511 LGLXXZGURQVNRB-MRXNPFEDSA-N 417.387 5.032 0 40 HKAB Cc1cc(Br)c2oc(-c3ccc(I)cc3)nc2c1 40542311 DYJVXLUJSSSBKW-UHFFFAOYSA-N 414.040 5.170 0 40 HKAB COc1cc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc(OC)c1 64472634 WPJLBCUAHVZPIA-UHFFFAOYSA-N 418.518 5.784 0 40 HKAB O=C(Nc1ccc(Sc2ccccc2Cl)cc1)N1CCc2ccc(O)cc2C1 65483675 GXKMRBBPOOUTDS-UHFFFAOYSA-N 410.926 5.787 0 40 HKAB Cc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1C 67294457 BJNDJSDIQDJFAA-PNHLSOANSA-N 402.881 6.188 0 40 HKAB COc1cccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nn32)c1 102660320 ILPBLIJKPWHQRZ-NRFANRHFSA-N 418.522 5.251 0 40 HKAB Clc1ccccc1NN=C(c1nc2ccccc2s1)c1nc2ccccc2s1 107849067 GMBZGOLRCJCMIG-UHFFFAOYSA-N 420.950 6.424 0 40 HKAB FC(F)(F)CCCCCCCCCCCCCCCCCCCC(F)(F)F 169795220 TWRIIPSUIGONIM-UHFFFAOYSA-N 404.523 9.523 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219349576 KPGXGPXYBWTOJZ-PKTZIBPZSA-N 403.522 5.724 0 40 HKAB COc1ccc(-c2ncc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(C)n2)cc1 223142446 YYLDGVKOUWTIEJ-UHFFFAOYSA-N 421.806 5.385 0 40 HKAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccccc1SCc1ccccc1 224093627 ZXCRKAMCZIYTIL-UHFFFAOYSA-N 410.542 6.217 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)NC2CCCC2)cc1 224147717 DOUGIWMIXHDZJU-VWLOTQADSA-N 420.597 5.048 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1cccc(C)c1 224386853 XUIFYXNWDIOXLE-UHFFFAOYSA-N 418.493 5.183 0 40 HKAB CCC1(CC)C[C@H](NC(=O)c2cc(Br)ccc2Cl)c2ccccc2O1 225077029 JLYKRBJPRIXNCH-KRWDZBQOSA-N 422.750 5.915 0 40 HKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225744993 KJVWBEXQRZASNL-XMMPIXPASA-N 404.595 5.111 0 40 HKAB Cc1ccc(-c2nc3cc(-n4cccc4)cc(C)c3o2)cc1I 226248214 CDEBEGDNAIUOHI-UHFFFAOYSA-N 414.246 5.507 0 40 HKAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc(Br)cc3)nc2c1 226282808 RYNXGAXLHXJHFZ-UHFFFAOYSA-N 413.193 5.173 0 40 HKAB COc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1c(Cl)cccc1Cl 408577057 RCQDRJNKSDAZKV-UHFFFAOYSA-N 424.393 5.988 0 40 HKAB Cc1ccc(Cl)cc1NCc1c(OCc2cccc(Cl)c2)ccc2ccccc12 409114487 HRPCKEZCPVJLCU-UHFFFAOYSA-N 422.355 7.646 0 40 HKAB O=C(Nc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1)c1ccco1 754008 RKDIJWNWBRDHBW-UHFFFAOYSA-N 419.662 5.200 0 40 HKAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]12 854656 HOYCNZGAXMXRFI-QDBPJBAASA-N 407.513 5.264 0 40 HKAB biogenic O=C(COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)Nc1cccc(C(F)(F)F)c1 955508 TXOXAOXAQOVADX-FNORWQNLSA-N 418.198 5.207 0 40 HKAB CC(=O)c1ccc(NC(=O)CSc2nc(C(C)C)nc3sc(C)c(C)c23)cc1 1340344 QEFGLSPFUZBCLX-UHFFFAOYSA-N 413.568 5.365 0 40 HKAB CCc1nc(SCC(=O)Nc2nc3ccccc3s2)c2c(C)c(C)sc2n1 1372151 XUJUNXYQEOCLQO-UHFFFAOYSA-N 414.581 5.211 0 40 HKAB Cc1ccc(NC(=O)c2c(NC(=O)c3ccccc3)sc3c2CCCC3)cc1C 1933499 NUNGRIYCKJDUQD-UHFFFAOYSA-N 404.535 5.748 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccccc3Cl)n(C)c3ccccc3c2=O)cc1 2224692 YCAILSHTORUBJS-UHFFFAOYSA-N 418.880 5.120 0 40 HKAB COc1ccc([C@@H](O)P(=O)(OC2CCCCC2)OC2CCCCC2)c(OC)c1 2394087 MKMUALGZFHNXJB-NRFANRHFSA-N 412.463 5.586 0 40 HKAB Cc1cc2c(O)c(-c3ccc(Br)cc3)c3sc(=O)oc3c2cc1C 2418465 ARWDSIYWSWPWAZ-UHFFFAOYSA-N 401.281 5.760 0 40 HKAB COc1cccc(-c2nc(Oc3cccc(Cl)c3Cl)c3ccccc3n2)c1O 2437765 OHOWCIJQQYKIAP-UHFFFAOYSA-N 413.260 6.110 0 40 HKAB O=C(OCc1csc(-c2ccccc2)n1)c1cc(Br)ccc1Cl 3280385 IMOFEMVSEJZPHM-UHFFFAOYSA-N 408.704 5.583 0 40 HKAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCc3nc4ccccc4s3)cc12 3378262 UCENTKVHHUDYIO-UHFFFAOYSA-N 405.504 5.362 0 40 HKAB Cc1cccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)c1 4059432 PGESWTWXYFTUGT-FQEVSTJZSA-N 416.377 5.905 0 40 HKAB COc1ccc(-c2c(C)c3cc(OC(=O)c4cccc(OC)c4)ccc3oc2=O)cc1 4340751 PQAINBYYWHTVSU-UHFFFAOYSA-N 416.429 5.005 0 40 HKAB biogenic O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCC(Cc2ccccc2)CC1 4744950 KBZQQDJSSIHXRV-QHCPKHFHSA-N 410.989 5.033 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CSc3nc4ccccc4[nH]3)ccc21 4864454 UMLRUQZDVOCKFS-UHFFFAOYSA-N 400.507 5.422 0 40 HKAB Cc1ccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2ccccc2)cc1C 4890901 ZDXIWGBFLZPHRO-UHFFFAOYSA-N 419.594 5.927 0 40 HKAB CCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4cccc(F)c4)c3c2c1 4969988 MKHZYJLFUIADLI-UHFFFAOYSA-N 411.436 5.557 0 40 HKAB CCCCCOC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 5149474 UBXIWIJQNMKRDV-UHFFFAOYSA-N 422.916 5.215 0 40 HKAB COc1cc(/C=C/C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(OC)c1OC 5915628 QDSBWGVHDAEIPF-NTEUORMPSA-N 405.450 5.157 0 40 HKAB CC(C)Oc1ccc(CNCC[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2)cc1 6719496 ZITQIHZELMQBKV-VWLOTQADSA-N 411.948 6.578 0 40 HKAB CCc1ccc(N(Cc2ccc(C)cc2)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1 6733011 LOPZPJTWDJCPCX-UHFFFAOYSA-N 412.533 5.614 0 40 HKAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)c1ncnc2sc(-c3ccccc3)cc12 7002011 CFRFBLPBYRDROP-INIZCTEOSA-N 412.522 5.136 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccccc1 7268214 OARDHLOEWRFYGG-SBUREZEXSA-N 408.929 5.688 0 40 HKAB Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc(C4CCCCC4)cc3)cc12 7277783 HVWRSSNXCSOPDQ-UHFFFAOYSA-N 412.537 5.682 0 40 HKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1 7881814 RYBIDQVLVPASIS-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB O=C(c1ccc(-c2ccccc2F)o1)N1CCC(c2nc3ccccc3s2)CC1 8040006 BRLYLKBESLBAGL-UHFFFAOYSA-N 406.482 5.715 0 40 HKAB Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 8664918 IXXWVKFRMYPOLI-NRFANRHFSA-N 416.864 5.208 0 40 HKAB COc1cc2c(cc1-n1c(S)nnc1-c1ccc3ccccc3n1)oc1ccccc12 9160989 AIKYZTAPGWXJCQ-UHFFFAOYSA-N 424.485 5.679 0 40 HKAB Cc1c(C(=O)N2CCC(c3nc4ccccc4s3)CC2)[nH]c2c1C(=O)CC(C)(C)C2 9607309 DSDHZILINRRNLA-UHFFFAOYSA-N 421.566 5.108 0 40 HKAB C[C@H]1Cc2cc(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)ccc2O1 10299086 CFZHNIXZKMNNSF-AWEZNQCLSA-N 406.522 5.410 0 40 HKAB O=C(Oc1ccc2cc(Br)ccc2c1)C(c1ccccc1)c1ccccc1 12565211 GBOUUKTYTYPOCW-UHFFFAOYSA-N 417.302 6.340 0 40 HKAB O=C(CCc1nc2ccccc2s1)N(CCc1ccccc1)Cc1cccs1 12796721 PGKRFLFFXWUXMG-UHFFFAOYSA-N 406.576 5.562 0 40 HKAB O=C1CCCN1c1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1Cl 12806468 RUULECSJBSUZMJ-UHFFFAOYSA-N 400.881 5.056 0 40 HKAB CC[C@H](NC(=O)c1ccc(SCc2cscn2)cc1)c1ccc(Cl)cc1 12924041 ZBTFXGOYUCSRPR-IBGZPJMESA-N 402.972 5.970 0 40 HKAB COc1cc(/C=C/C(=O)Nc2ccc(C(F)(F)F)cc2)cc(Cl)c1OC(C)C 13059599 ZOYIQLNQEVWRGR-RUDMXATFSA-N 413.823 5.807 0 40 HKAB C[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(C(C)(C)C)cc1 13668466 RQSPVOPBQYDHGV-OAHLLOKOSA-N 420.416 5.857 0 40 HKAB Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc45)=NN32)cc1 13777957 SVWJSFGZNPWFDW-AHWVRZQESA-N 410.904 6.736 0 40 HKAB O=C(CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(Cl)s1 14239174 JIXKILUVOXSPNV-CYBMUJFWSA-N 404.944 5.338 0 40 HKAB Cc1ccc(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)cc1Cl 15881594 DLDBBZRPDKMYCZ-UHFFFAOYSA-N 422.916 5.490 0 40 HKAB Fc1ccccc1CCNCc1cccc(OCc2ccc(Cl)cc2Cl)c1 16449552 DUXFHBLRJAAUQS-UHFFFAOYSA-N 404.312 6.044 0 40 HKAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)cc1Cl 16741643 GLRJFUJMZBHHFK-BZZOAKBMSA-N 406.938 6.159 0 40 HKAB O=C(Nc1ccc(Cl)cc1)N(Cc1ccc(F)cc1)c1nnc2n1CCCCC2 16769841 RCTIOLNIVOJODB-UHFFFAOYSA-N 413.884 5.036 0 40 HKAB O=C(CSc1ncc(-c2cccc(Cl)c2)o1)Nc1ccc(Br)cc1 16841026 MUZUIFNCHJYMKO-UHFFFAOYSA-N 423.719 5.488 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(Cc3ccncc3)cc2)cc1 17090397 GIACBXOSJKSBSY-KPKJPENVSA-N 415.562 5.322 0 40 HKAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2ccc(Cl)cc2Cl)o1 17093701 QMFXJGBWANXYJQ-UHFFFAOYSA-N 423.708 6.769 0 40 HKAB CN1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2Cl)CC1 17094115 QVLILUDIUJCAOU-XVNBXDOJSA-N 424.759 5.051 0 40 HKAB Clc1ccc([C@@H](CCc2ccc(Br)cc2)Cn2ccnc2)c(Cl)c1 17108790 GLPUKJFKRFMDSY-HNNXBMFYSA-N 424.169 6.369 0 40 HKAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl 20144509 KPXDYHDNEVLBPR-UHFFFAOYSA-N 423.079 5.324 0 40 HKAB C[C@@]12C[C@@H](c3cc(Cl)ccc3O1)N(C(=O)c1ccco1)C(=S)N2c1ccccc1 20156126 XGBOSEKNDIMYTA-JTSKRJEESA-N 424.909 5.420 0 40 HKAB Cc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccccc3)c2c1 20382378 ONEOMBRKBKNQDE-UHFFFAOYSA-N 422.937 5.642 0 40 HKAB C[C@@H](c1nnc(-c2ccccc2)o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22786628 AEAQWYIHGFLSOS-NRFANRHFSA-N 424.548 5.205 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)Cn1nc(-c2ccc(F)cc2)n(C)c1=S 25139747 YBIONEUWNPDYJI-CYBMUJFWSA-N 413.547 5.017 0 40 HKAB Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)oc2ccc(F)cc12 27662294 DRYYRAQMHKWBIV-IBGZPJMESA-N 400.881 5.101 0 40 HKAB O=C(CCCCc1nc2ccccc2s1)Nc1ccccc1C(=O)N1CCCCC1 27919958 FFXPAHVBBOSHRN-UHFFFAOYSA-N 421.566 5.274 0 40 HKAB Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)cs2)c1C 28719737 NJMIINJWNYNBEF-UHFFFAOYSA-N 411.527 5.565 0 40 HKAB COc1ccccc1[C@@H]1CC(O)=Nc2sc(C(=O)Nc3ccccc3F)c(C)c21 32069629 GQEXYDGUSSKYNT-AWEZNQCLSA-N 410.470 5.580 0 40 HKAB Cc1nc(NC(=O)Cc2ccc(Cl)cc2)sc1-c1nc(-c2cccs2)no1 32073667 ZNNYIPUPATYUNJ-UHFFFAOYSA-N 416.915 5.065 0 40 HKAB CCOc1ccccc1C(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 32623046 RJZUNVCXFCGTKJ-UHFFFAOYSA-N 403.413 5.194 0 40 HKAB O=C(CSc1ccc2ccccc2n1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 32671923 KRZWNFPRAWFMDK-GOSISDBHSA-N 419.531 5.359 0 40 HKAB CCN(CC)Cc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 32833355 MQWKGCSLGGMVGA-UHFFFAOYSA-N 407.583 5.158 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)C1CCN(Cc2c(F)cccc2Cl)CC1 39762916 IUVJGQZOMZWDGI-UHFFFAOYSA-N 414.830 5.349 0 40 HKAB CC(C)CC(=O)Nc1ccc(NC(=O)N(C)Cc2ccccc2Br)cc1 40104686 LCQBLEXROBQULR-UHFFFAOYSA-N 418.335 5.098 0 40 HKAB CCCCOc1ccc(-c2cc3c(SCc4ccccc4C)nccn3n2)cc1 45925365 PENROPLKZCRMHQ-UHFFFAOYSA-N 403.551 6.176 0 40 HKAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)cc1OCc1ccccc1 48303043 QUSRMGGVVPHVPU-UHFFFAOYSA-N 413.477 5.021 0 40 HKAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 50011377 QSYZEZZQBQCDIH-GOSISDBHSA-N 414.534 5.362 0 40 HKAB CC(C)c1ccc(-c2cc3c(SCc4ccc(F)cc4Cl)nccn3n2)cc1 57510878 VWKHSPNEEJGIGN-UHFFFAOYSA-N 411.933 6.605 0 40 HKAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2F)n1 67296788 AEFRQZOAQNLGIX-ROMGYVFFSA-N 407.832 5.413 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)cc2F)c(C)c1 67297264 NTZDOPJSXLSOQY-FVDSYPCUSA-N 400.453 5.982 0 40 HKAB Cc1nc(NCCc2ccccc2)sc1C(=O)NCc1ccc(C(F)(F)F)cc1 71326498 PGCYQZPDTQKHPL-UHFFFAOYSA-N 419.472 5.055 0 40 HKAB COc1ccc2oc(-c3cccc(NC(=O)COc4ccc(C)cc4)c3C)nc2c1 72260283 QEXNTKMIOCBTES-UHFFFAOYSA-N 402.450 5.138 0 40 HKAB O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1CCC[C@@H](c2nc3ccccc3o2)C1 72302775 WSVFPAJLUHNRNW-MRXNPFEDSA-N 415.468 5.412 0 40 HKAB Cc1nc(C)c([C@@H](C)NC(=O)c2cccnc2Oc2ccc(Cl)cc2Cl)s1 84062391 VYSJDSFDLFJLQO-LLVKDONJSA-N 422.337 5.745 0 40 HKAB CCCc1ccc(-c2ccc(NC(=O)c3sc(-c4nc[nH]n4)nc3C)cc2)cc1 84759002 IJSFKUCLQAWPOT-UHFFFAOYSA-N 403.511 5.108 0 40 HKAB CN1CCC(Oc2ccc(NC(=O)CC(c3ccccc3)c3ccccc3)cc2)CC1 219134919 MXXMSLMWINNFSB-UHFFFAOYSA-N 414.549 5.320 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1cccc(Cl)c1 224145922 TUILIBWGDQVJBR-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB COc1cccc(NC(=O)c2ccc(OC)c(COc3ccc(Cl)c(C)c3)c2)c1 224206405 JSMYECQBRMYSHG-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1cc(C)cc(C)c1C 224284575 ZVFMPTMMHWKNRU-UHFFFAOYSA-N 407.485 5.269 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1COc1ccc(C)cc1 224468805 TUKVCWJSHZOQSD-UHFFFAOYSA-N 421.493 5.242 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccc(CN2CCCC2)cc1 224515035 VLUMXAIEYSEHOC-UHFFFAOYSA-N 423.409 5.139 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccccc2)s1 225277881 RDIOVHCGTPTZGW-UHFFFAOYSA-N 410.351 5.384 0 40 HKAB CCOC(=O)c1ccc(NC(=O)CCc2c(Cl)cccc2Cl)cc1Cl 225356540 GJVFPYRMJMDQLD-UHFFFAOYSA-N 400.689 5.395 0 40 HKAB COc1ccc(N2C(=O)[C@H]3[C@H](c4ccccc4)CC[C@@H](c4ccccc4)[C@H]3C2=O)cc1 245380077 QLBWEDTZLSUCNV-OJJQZRKESA-N 411.501 5.162 0 40 HKAB COC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 247867737 YMEYKMXIYVMIEW-DNLDMXRNSA-N 402.321 6.077 0 40 HKAB C[C@@H]1O[C@@H]2c3cc(CC(=O)O)ccc3OC(C)(C)[C@H]2C[C@H]1c1ccccc1Cl 257286667 PMLYEDCEXPLLIH-QCDNPXNSSA-N 400.902 5.388 0 40 HKAB CC(C)c1nc2c(n1CC1CC1)-c1ccccc1OC21CCN(C(=O)CC2CC2)CC1 306143672 YINBPPVTVPNPDG-UHFFFAOYSA-N 419.569 5.094 0 40 HKAB Cc1cc(Br)ccc1NCc1ccc(OCc2cccc(Cl)c2)cc1 408614041 XOZLQSKZCFQGAI-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3C)n2)cc1 408695362 QEBTZMMWIXKSKS-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3)n2)c1C 408697213 GCTIVLDIIBGIRR-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S1 408812707 SZOUZYXUARLRNO-UHFFFAOYSA-N 413.881 5.811 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2 408992604 APFXCWIGIGBQIV-WTNAPCKOSA-N 410.300 6.163 0 40 HKAB CN(Cc1ccccc1)C(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409112792 DATILWJQUJZDMO-YUVBVNQKSA-N 422.572 6.255 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 409171193 YQAVIVWFYMGBNL-GZTJUZNOSA-N 418.312 5.084 0 40 HKAB Clc1ccc(NCc2ccccc2OCc2cccc3ccccc23)cc1Cl 409194796 MLVUVIHCUDZWFB-UHFFFAOYSA-N 408.328 7.338 0 40 HKAB Fc1cccc(COc2ccc(Cl)cc2CNc2ccc(Br)cc2)c1 409206275 SOIRNYFLMWGGMK-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB CCOc1cc(Cl)c(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 409215477 ZRDAHMNZMIREFC-CAOOACKPSA-N 424.305 5.642 0 40 HKAB CCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)NC3CCCCC3)c2c1 917180 VMWFHLCEWWWSNB-UHFFFAOYSA-N 421.566 5.237 0 40 HKAB O=C(Nc1cccc2ccccc12)c1cc(Br)ccc1Br 1006388 HDVLRCMLIMVOEF-UHFFFAOYSA-N 405.089 5.617 0 40 HKAB CCC(=O)N(CC[C@@H](c1ccccc1)c1ccc(OC)cc1)C[C@H]1CCOC(C)(C)C1 1323158 LZDDYPLHIJEGQH-OFVILXPXSA-N 423.597 5.661 0 40 HKAB biogenic CCOC(=O)c1cc(-c2ccc(C)cc2)[nH]c1N1CCN(c2c(C)cccc2C)CC1 1385395 MZXCDMTWVZGWPP-UHFFFAOYSA-N 417.553 5.110 0 40 HKAB COc1ccc(-c2c(C)oc3cc(OC(=O)/C=C/c4ccccc4)ccc3c2=O)cc1 1448050 HMOXKNASHCLLCB-OVCLIPMQSA-N 412.441 5.396 0 40 HKAB biogenic COc1ccc(OC)c(NC(=O)Oc2c(C)cc(Cl)cc2Br)c1 1560682 JRGDFBCCOATPMK-UHFFFAOYSA-N 400.656 5.039 0 40 HKAB CC(C)(C)c1ccc(CSc2nnc(C3CCCCC3)n2-c2ccccc2)cc1 2074125 BZUOHIWHMNIVEN-UHFFFAOYSA-N 405.611 6.905 0 40 HKAB CCCOC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CCCCC2 2082220 VOIDCJKKADCMAO-UHFFFAOYSA-N 413.583 6.134 0 40 HKAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)Nc1ccc(F)c(Cl)c1 2148771 LLZXADHHRKRGDD-UHFFFAOYSA-N 423.827 5.270 0 40 HKAB biogenic COc1cccc(Cn2cc3c(-c4ccc(C)c(C)c4)nnc-3c3cc(OC)ccc32)c1 2690129 CXSOPIJVYNBJTO-UHFFFAOYSA-N 423.516 5.885 0 40 HKAB Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)Nc1ccc(F)c(F)c1 2737877 BHGHRWCMWPDWLC-UHFFFAOYSA-N 408.835 6.394 0 40 HKAB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(COc2ccc3c(c2)OCO3)o1 2777543 SZDHXJBHHGVKNR-UHFFFAOYSA-N 421.232 5.251 0 40 HKAB CCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2c(C)cccc2C)c1CC 3240604 PRDRRCPSMHDUPN-UHFFFAOYSA-N 404.510 5.162 0 40 HKAB COc1cc2c(cc1NC(=O)[C@H](C)Sc1nc(C)c(C)c(C)n1)oc1ccccc12 3361237 YDACHGCMUOCSTM-HNNXBMFYSA-N 421.522 5.429 0 40 HKAB COc1ccc(CNCC[C@@]2(c3ccc(C)cc3)CCO[C@@H](C(C)C)C2)cc1OC 4042709 GWPSIOLHWSVBIJ-CLJLJLNGSA-N 411.586 5.265 0 40 HKAB biogenic C[C@@H]1C[C@H](Nc2ccc(Br)cc2)c2ccccc2N1C(=O)c1ccccc1 4045127 MRAMZZXAPMWUNP-IERDGZPVSA-N 421.338 6.041 0 40 HKAB Cc1ccccc1S(=O)(=O)c1c(OCC(C)C)nc(C)c(-c2ccccc2)c1C 4051935 WFQFPHLAIKNXCU-UHFFFAOYSA-N 409.551 5.541 0 40 HKAB COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)CC2CCCCC2)c1 4267298 BGDFUEAYSUBZFF-UHFFFAOYSA-N 406.482 5.603 0 40 HKAB CCCCc1ccc(N[C@@H](CC(=O)c2ccccc2)c2ccc(C(=O)OC)cc2)cc1 4358252 NONQAANINVGRAG-VWLOTQADSA-N 415.533 6.242 0 40 HKAB COc1ccc(-c2csc(NC(=O)CCSc3ccc(F)cc3)n2)c(OC)c1 4496844 QBOXJNGEVIKZEB-UHFFFAOYSA-N 418.515 5.087 0 40 HKAB O=C(c1ccccc1)[C@H]([C@@H](c1ccccc1)[C@H]1CNc2ccccc2C1)N1CCCCC1 4522743 GUZQFFCTFIRWPU-PKXQUSJVSA-N 424.588 5.792 0 40 HKAB Cc1ccc2cc([C@@H]3CC(c4ccc(Br)cc4)=NN3)c(Cl)nc2c1 4610997 LQWLMXRCJMTFCE-SFHVURJKSA-N 400.707 5.398 0 40 HKAB O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1Cc1ccc(Cl)cc1 4727905 JXMLBUNTPKHLPK-NTEUORMPSA-N 407.300 5.922 0 40 HKAB COCCN(C(=O)C1CCCCC1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880742 AQEQEHLMVMBNHF-UHFFFAOYSA-N 401.576 5.062 0 40 HKAB CCc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC(C)(C)C)c2ccccc2)cc1 4933853 NTSIRPAOEHZHLJ-JOCHJYFZSA-N 404.510 5.145 0 40 HKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 4957090 HLFQKHLHMNYXEV-UHFFFAOYSA-N 405.954 6.112 0 40 HKAB CCc1ccc2nc(-c3ccc(-c4cccc(C(F)(F)F)c4)o3)cc(C(=O)O)c2c1 5237258 XUOUCTVHZVPHCP-UHFFFAOYSA-N 411.379 6.441 0 40 HKAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Sc1nc(-c3ccccc3)c(-c3ccccc3)o1)C2=O 5415666 UTQZKCXZZKAKBJ-KPCPBYSCSA-N 403.547 6.495 0 40 HKAB CC(C)c1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)cc1 6201374 NQFQVOYLWLUWLZ-UHFFFAOYSA-N 401.963 5.190 0 40 HKAB Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)S[C@H](C)C(=O)N2 6678746 SMRBDJZKBDUHKC-BFUOFWGJSA-N 413.930 5.114 0 40 HKAB CC(C)(C)CC(C)(C)NCc1cc(Br)ccc1OCc1ccccc1F 6857362 WKXLKNFUNSDINM-UHFFFAOYSA-N 422.382 6.472 0 40 HKAB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OCc2csc(C)n2)c(OC)c1 7102820 DXTBFUODHURCKL-QFIPXVFZSA-N 423.538 5.016 0 40 HKAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 7960853 HCDVYMXJUUIZBP-UHFFFAOYSA-N 417.292 5.273 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 8586636 JURGUXQVMDUQDJ-UHFFFAOYSA-N 408.567 5.379 0 40 HKAB CCCCc1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 9063717 BZBHLFRRUZSJDQ-UHFFFAOYSA-N 402.941 5.672 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(CSc2ccccc2)s1 9196841 HRVAYSLQCOCTPN-UHFFFAOYSA-N 419.959 5.280 0 40 HKAB Clc1ccc(-c2nnc(SCc3cn4ccsc4n3)n2-c2ccccc2)cc1 9403811 JAWJUQKJCNRXPH-UHFFFAOYSA-N 423.954 5.589 0 40 HKAB CC(C)n1c(SCC(=O)Nc2ccccc2F)nnc1-c1cc2ccccc2o1 9595162 WKJCZCUABOBKCG-UHFFFAOYSA-N 410.474 5.142 0 40 HKAB CC(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 10338501 JMPMAOOEIOLVHT-HXUWFJFHSA-N 414.549 5.872 0 40 HKAB COc1cccc2cc(-c3csc(NC(=O)c4cccc(C(F)(F)F)c4)n3)oc12 10747817 OARAPSPOQNRZOL-UHFFFAOYSA-N 418.396 5.836 0 40 HKAB CCOc1cccc2cc(-c3csc(NC(=O)c4cccc(SC)c4)n3)oc12 10750612 CVPZDRPJHMOCAG-UHFFFAOYSA-N 410.520 5.929 0 40 HKAB Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 12495514 KPQJBAGUKHGXBF-HYBUGGRVSA-N 418.880 5.354 0 40 HKAB COc1ccc([S@](=O)CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 12952328 JTTKQISEOQQVHR-MHZLTWQESA-N 421.345 5.046 0 40 HKAB Cc1ccc(C)c(Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)c1 13058786 YUFKHLHRZIRQSZ-UHFFFAOYSA-N 412.408 6.373 0 40 HKAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 13709807 OUZPMUCJCNBCLF-GFCCVEGCSA-N 418.773 5.464 0 40 HKAB Cc1cccc(OCC(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)c1 13946096 JZYTUKCYPXNOSE-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB CC(=O)c1ccc(OCCCC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 14236463 ACVFJHVPFBXTDH-IBGZPJMESA-N 403.931 5.055 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(Br)c(Cl)c1 14411361 PYDJATBULPHTLD-QHHAFSJGSA-N 405.506 6.061 0 40 HKAB Sc1nnc([C@H](Sc2ccccc2)c2ccccc2)n1Cc1ccc(Cl)cc1 17093755 XHRAWGSZYAOKQC-HXUWFJFHSA-N 423.994 6.150 0 40 HKAB Cc1ccc(C(=O)Oc2ccccc2-c2nc3scc(-c4ccccc4)n3n2)cc1 19927931 LBTAMAYFMUEPOY-UHFFFAOYSA-N 411.486 5.652 0 40 HKAB Cc1ccc([C@H](NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 20043042 WUIPTYVCIGOPPY-NBGIEHNGSA-N 401.550 5.966 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20500288 WMLIWXFWHSSUKG-XMMPIXPASA-N 420.940 6.572 0 40 HKAB O=C(O)c1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1C(=O)O 22114957 CDNZYCMHOWHMDW-RGPPVUSESA-N 412.445 5.104 0 40 HKAB O=C(Nc1nc(C2CC2)cs1)c1ccccc1-c1ncc(-c2ccccc2F)o1 25564029 HDDCUCRRBATEOU-UHFFFAOYSA-N 405.454 5.734 0 40 HKAB COc1ccc2c(c1)CCCN2C(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C 26121692 WCEZVZQFJKNMBB-UHFFFAOYSA-N 419.506 5.170 0 40 HKAB Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccccc3O)c2c1C 28689741 NDNCJLZRYGIXSB-UHFFFAOYSA-N 407.520 5.417 0 40 HKAB Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(OCc3csc(C)n3)cc2)n1 31543822 FQPGMKKHBYSYOA-UHFFFAOYSA-N 418.522 5.085 0 40 HKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 33572049 VEOZJDBUYNVZJU-DVECYGJZSA-N 416.521 5.282 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCC 33692644 ANCSBNGXFIZRJN-UHFFFAOYSA-N 411.885 6.182 0 40 HKAB CCc1nn2c(ncc3c(=O)n([C@H]4CCCC[C@H]4C)ccc32)c1-c1ccc(Cl)cc1 40397459 PLRBERMZJFQLQR-QRWLVFNGSA-N 420.944 5.678 0 40 HKAB CCOc1ccc(OCC)c(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c1 44838018 PREDPOSEIYEBAQ-UHFFFAOYSA-N 401.466 5.280 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)CCc2ccc(OCC)c(OCC)c2)cc1 44905068 CALQGADZURFTCF-UHFFFAOYSA-N 413.514 5.012 0 40 HKAB C[C@@H](NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1 44934056 HKPLWVPMWGAJEO-ZBFHGGJFSA-N 409.332 5.222 0 40 HKAB CCCCCCCCCn1c(O)c(-c2nc3ccccc3[nH]2)c(=O)c2ccccc21 50860199 LBJQDTSCPKJZRS-UHFFFAOYSA-N 403.526 6.001 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccccc3C)on2)sc2c1CCCC2 61997334 TVKZCLGVMLYKEX-UHFFFAOYSA-N 410.495 5.019 0 40 HKAB Brc1ccsc1-c1csc([C@@H]2CN(Cc3ccccc3)CCO2)n1 65567508 KAKZZZZWCPZSGV-INIZCTEOSA-N 421.385 5.208 0 40 HKAB CCc1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)cs1 100156293 WBLMNUOKDUSYLK-OKILXGFUSA-N 401.557 5.126 0 40 HKAB Cc1ccc(-c2csc(-c3cc4cc(Br)ccc4o/c3=N\O)n2)cc1 100571065 NJIQWYQHGGNAJA-PYCFMQQDSA-N 413.296 5.584 0 40 HKAB Clc1cccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3nnnn32)c1Cl 101227979 ZDQNXTXWNMDNMR-HXUWFJFHSA-N 420.303 5.703 0 40 HKAB c1ccc(COC[C@@H]2SC[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1 143245323 IISDOLHHPNAZII-ZNZIZOMTSA-N 420.574 5.489 0 40 HKAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)n1 170569322 ZRIZCYTUOAMQPE-UHFFFAOYSA-N 410.477 5.882 0 40 HKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 222403328 ZQFXJURJMLLFNG-VWLOTQADSA-N 422.613 5.383 0 40 HKAB Cc1ccc(CSCCNC(=O)CSCc2ccc(Cl)cc2Cl)cc1 222716535 FOPXSUBMCZQZIL-UHFFFAOYSA-N 414.423 5.585 0 40 HKAB Cc1c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n(-c2ccccc2)c1C 222943902 SFWBHZFQWOZVAG-DNQXCXABSA-N 418.610 5.426 0 40 HKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(C)cc2)o1 222959427 JTFMEXYRFUKEJM-VXKWHMMOSA-N 423.607 5.907 0 40 HKAB CCOc1ccc(C(=O)NCc2ccco2)cc1CSc1ccc(Cl)cc1 224671117 IABJGWUPFYWOKE-UHFFFAOYSA-N 401.915 5.554 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3c(C)cc(C)cc3C)o2)c1 224904248 GUWDYHVQMJONLV-UHFFFAOYSA-N 412.489 6.195 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2O1 225017449 IMJDHUHIRXTVJN-DENIHFKCSA-N 409.570 6.085 0 40 HKAB CCN(CC)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 225522830 HAQIWGPULNANRB-UHFFFAOYSA-N 414.977 5.511 0 40 HKAB CC(C)Oc1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 408575616 OCUJECNOHQKJIN-UHFFFAOYSA-N 400.522 5.284 0 40 HKAB Cc1ccc2oc(-c3cc(NC(=S)NC(=O)C(C)(C)C)ccc3Cl)nc2c1 408628622 VKOHVIUIADJOTK-UHFFFAOYSA-N 401.919 5.316 0 40 HKAB O=C(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)NC1CCCCC1 408735742 WJZGYUQCYHBVNY-UHFFFAOYSA-N 422.532 6.418 0 40 HKAB CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C1=O 409008725 CDWALSXYXUVZFY-HJPCULJESA-N 420.328 5.852 0 40 HKAB COc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409377624 ITZPCDCTXIEKJZ-UHFFFAOYSA-N 408.473 5.081 0 40 HKAB O=C(CSc1nnc(-c2csc3c2CCCC3)o1)Nc1ccc(Cl)cc1 950269 RIFUMPYXYOGOFP-UHFFFAOYSA-N 405.932 5.061 0 40 HKAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2F)c2ccccc12 1013275 OMWXVGWNZXDLGC-UHFFFAOYSA-N 421.493 5.383 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C(C)=O)cc4)sc3n2)c1 1026508 FKVODKNCTYKITD-UHFFFAOYSA-N 417.490 5.009 0 40 HKAB CC(C)C(=O)Oc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2c1 1771714 UWCRTTKCVOQUPI-UHFFFAOYSA-N 400.430 5.814 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(Cc4c(Cl)cccc4Cl)c(=O)c23)C1 1784987 UOKCVFGTXYNPGD-LLVKDONJSA-N 422.381 5.359 0 40 HKAB COc1ccc([C@@H](C)NCC[C@H](c2ccccc2)c2ccc(OC(C)C)cc2)cc1 1826508 BQZCDFZRTSMLBA-JIPXPUAJSA-N 403.566 6.355 0 40 HKAB biogenic COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(ccc4cc(OC)ccc34)O2)cc1 2029706 DDXQQPIXIJBNOF-UHFFFAOYSA-N 424.496 6.215 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3c(C)ccc4ccccc34)c3ccccc3n2)cc1 2073176 OIIQQQZTJFRKRB-UHFFFAOYSA-N 418.496 6.624 0 40 HKAB CCc1ccc(C2(c3ccc(CC)cc3)C[C@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 2175285 SIXZBAKDNPVUSG-DEOSSOPVSA-N 417.980 6.718 0 40 HKAB CSc1nc(SCC(=O)c2ccccc2)c2c3c(sc2n1)COC(C)(C)C3 2213209 RZTSBTOUGQUVHL-UHFFFAOYSA-N 416.593 5.240 0 40 HKAB Cn1c(NC(=O)c2ccccc2F)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 2227580 SVRZEPIZISPHSX-UHFFFAOYSA-N 406.844 5.250 0 40 HKAB COC(=O)c1c(NC(=O)CCCc2ccc(OC)cc2)sc(-c2ccccc2)c1C 2258384 UVYDBMNUDDGGAN-UHFFFAOYSA-N 423.534 5.480 0 40 HKAB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1cccnc1 2318015 KAKCZXNYMOTJRC-UHFFFAOYSA-N 400.550 5.505 0 40 HKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccccc2C)cc1 2359606 WRSNHGSVYSEHOR-UHFFFAOYSA-N 409.489 5.077 0 40 HKAB O=C(CSc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)Nc1ccccc1Cl 2625679 ZDNRUDIRZBSPEG-UHFFFAOYSA-N 413.717 5.163 0 40 HKAB Cc1ccc(-c2nsc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 2917470 XZGUBDMWQMRJBE-UHFFFAOYSA-N 409.458 5.263 0 40 HKAB O=S(=O)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccccc1 3109761 QJENSKIESDIBFE-UHFFFAOYSA-N 424.909 5.440 0 40 HKAB Cc1ccc([C@H](NC(=O)NCc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1F 3191024 WVXAUTGLVXQFSM-HNNXBMFYSA-N 424.130 5.698 0 40 HKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CSc3cccc[n+]3[O-])cc2)cc1 3222926 YELQNULSABLCKC-UHFFFAOYSA-N 422.550 5.531 0 40 HKAB CCCCc1ccc(NC(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1 3311382 MORKSNYXPNPEIJ-UHFFFAOYSA-N 414.716 5.785 0 40 HKAB Cc1cc2occ(CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2cc1C(C)C 3355556 SAEYTCCCFBMKQH-UHFFFAOYSA-N 409.835 6.718 0 40 HKAB Fc1cc(Br)ccc1-c1ccc2cc(OCc3ccccc3)ccc2c1 4060431 GDLNZCKNVCBFLG-UHFFFAOYSA-N 407.282 6.987 0 40 HKAB CCCCSc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 4079486 ULNMNYRIYALHGU-UHFFFAOYSA-N 406.758 5.099 0 40 HKAB Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccnc2)N2CCC(C)CC2)c1C 4618737 ZGVVIDFNOLEKRA-OAQYLSRUSA-N 409.555 5.427 0 40 HKAB O=C(Cc1ccc(Cl)cc1)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 5077386 HTKQIUHILHORDI-UHFFFAOYSA-N 404.322 5.107 0 40 HKAB Cc1ccc(COc2ccc(Br)cc2C(=S)N2CCC(C)CC2)cc1 6300155 BNKDQMQWDVRXQC-UHFFFAOYSA-N 418.400 5.744 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C)c(Cl)c4)c3)nc2c1 6449741 RKNLEDVISUURSK-HNNXBMFYSA-N 418.924 7.222 0 40 HKAB CCCN(CCC)C(=O)c1cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2s1 6543366 YBBVZSSHRZDPHW-UHFFFAOYSA-N 409.477 5.676 0 40 HKAB COc1ccccc1-c1c(C)noc1-c1ccc(OCc2ccccc2F)cc1O 6755494 XMLIYYAKRRBVSC-UHFFFAOYSA-N 405.425 5.749 0 40 HKAB biogenic CCOc1cc(CNCc2ccncc2)cc(Cl)c1OCc1ccc(Cl)cc1 6870232 ZZWVNLOOABHVFX-UHFFFAOYSA-N 417.336 5.656 0 40 HKAB COc1ccccc1OCCn1cc(/C=C2/C(=O)Nc3ccccc32)c2ccccc21 6955589 FYSXVPKJIDHPQN-LTGZKZEYSA-N 410.473 5.222 0 40 HKAB Cc1cccc(C)c1-n1c(C)cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c1C 7365501 SZVUWUOLSZCHLU-BKUYFWCQSA-N 418.518 6.070 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)c3cccc(OCc4ccccc4)c3)ccc21 7366992 LAWBPSKCYDVUFW-UHFFFAOYSA-N 420.512 6.646 0 40 HKAB Cc1ccc(CNCc2cc(Br)ccc2OCc2ccccc2F)cc1 7537919 BILPIMZANMIXTA-UHFFFAOYSA-N 414.318 5.765 0 40 HKAB COCc1c(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)oc2ccccc12 7783970 GEENFJUJDCKUHO-UHFFFAOYSA-N 400.406 5.233 0 40 HKAB CCCCCCc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccoc3C)n2C)cc1 7785848 FULPCYGTKWZJFE-KRWDZBQOSA-N 411.571 5.870 0 40 HKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Cl)ccc4OC)cc3n2)cc1 8201785 XVZGOQXFLPUZMO-UHFFFAOYSA-N 420.900 5.206 0 40 HKAB Cc1ccc2cccc(Oc3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)c2n1 8394180 AWMZRSCLQNBQOJ-UHFFFAOYSA-N 412.876 6.497 0 40 HKAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 8479922 DDSSKTBGCPZRBK-HXUWFJFHSA-N 411.860 5.506 0 40 HKAB CC[C@H](Sc1nc2ccccc2n1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1 8837046 ISRVPVBTCWVGJJ-NRFANRHFSA-N 421.953 6.188 0 40 HKAB CCOc1ccc2nc(SCC(=O)Nc3nc4ccccc4s3)sc2c1 8997447 PAZAZROWDARRQV-UHFFFAOYSA-N 401.538 5.036 0 40 HKAB C[C@@H](NC(=O)c1ccccc1Oc1ccccc1)c1nc2ccccc2n1C(F)F 9115069 KRJSNICJTJEGHE-OAHLLOKOSA-N 407.420 5.715 0 40 HKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccccc3Cl)C[C@H]12 10272239 OCCYLBDLKHPVGI-JMBWEMNFSA-N 413.001 6.306 0 40 HKAB biogenic O=C1c2cccc3cccc(c23)N1S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 11851865 RFYLYAUXQNFQLR-UHFFFAOYSA-N 412.681 5.149 0 40 HKAB CCCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(Cl)cc3c2C)cc1 11913741 XNDGNVHKNKCCOB-UHFFFAOYSA-N 411.845 5.486 0 40 HKAB O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1nc2ccccc2s1 12587525 RXKHTGABOVKPEX-UHFFFAOYSA-N 416.531 5.366 0 40 HKAB COc1ccccc1Cn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 13030766 TYHCXTRWLMSJHD-UHFFFAOYSA-N 400.522 5.970 0 40 HKAB O=C(COC(=O)/C=C/c1cccc2cccnc12)Nc1ccccc1-c1ccccc1 14811554 QWZRPBXITLZCSC-FOCLMDBBSA-N 408.457 5.097 0 40 HKAB COc1cccc(C(=O)Nc2ccc3oc(C(=O)c4cccc(OC)c4)c(C)c3c2)c1 15729489 BIYGMDPOFZVCAE-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB biogenic CN1CCN(P(=O)(/C=C(\Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)CC1 15906588 DFHLWTZISUGNQT-ISPAOBMBSA-N 421.308 5.987 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1Cl 16226855 CDSWUIZUFDHQST-UHFFFAOYSA-N 414.248 5.458 0 40 HKAB Cc1ccc(OCCSc2nn(CCOc3ccc(C)cc3)c(=S)s2)cc1 16850167 AWAHPDMLSNFYEQ-UHFFFAOYSA-N 418.609 5.541 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)/C=C/c1ccc(C(C)C)cc1 17089350 VPNNLSKLBDOYJM-XNTDXEJSSA-N 412.558 7.047 0 40 HKAB Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]1c1ccc(Cc2ccc(F)cc2)cn1 19688538 YMOPDNMPOPXVMT-VWLOTQADSA-N 406.549 5.543 0 40 HKAB CCN(Cc1ccccn1)[C@H]1CCO[C@@H](c2ccccc2-c2ccc(OC)cc2)C1 19711904 GQHRSUZESIZITJ-BKMJKUGQSA-N 402.538 5.499 0 40 HKAB Cc1sc(NC(=O)CCC2CCCCC2)nc1-c1ccc2c(c1)NC(=O)[C@H](C)O2 19796587 HEOXSEATAUCJOR-ZDUSSCGKSA-N 413.543 5.137 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)C[C@H]3Sc4ccccc4NC3=O)ccc21 21706557 ASZMTLDQGIITCR-JOCHJYFZSA-N 415.518 5.256 0 40 HKAB O=C(Nc1cccc(CNC[C@@H](c2ccco2)N2CCCC2)c1)c1ccc(Cl)cc1 22787337 CFLBFGKEICIKPG-QFIPXVFZSA-N 423.944 5.112 0 40 HKAB Clc1cc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)cc2c1OCCCO2 23466435 VTKSIQKXTDCMEQ-MRXNPFEDSA-N 414.958 5.491 0 40 HKAB CCCOc1cccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)c1 28288671 ZDESBJUNWQOBIY-XMMPIXPASA-N 408.586 5.340 0 40 HKAB CCC(=O)N(CC[C@@]1(c2ccc(Cl)cc2)CCOC(C)(C)C1)Cc1ccco1 32103670 IJQLQFFYUMFYHZ-HSZRJFAPSA-N 403.950 5.589 0 40 HKAB Fc1cc2c(c(CN3CCC[C@H](C(F)(F)F)C3)c1)O[C@H](c1ccsc1)OC2 34868045 XPUAMBZGQNYXQP-MAUKXSAKSA-N 401.425 5.269 0 40 HKAB S=C(c1cn(CCOc2cccc3ccccc23)c2ccccc12)N1CCCCC1 59182456 XFBLJKOLXWAAON-UHFFFAOYSA-N 414.574 6.035 0 40 HKAB CC(C)(C)c1ccc(-c2noc(CSc3nc(O)cc(-c4ccccc4)n3)n2)cc1 65330975 WYILVJQZLDTIEL-UHFFFAOYSA-N 418.522 5.489 0 40 HKAB CC(C)c1ccc(OCCc2cc([C@@H]3CCN(C(=O)CC4CCCC4)C3)n[nH]2)cc1 72371405 MTVVHMWTGIAMNI-OAQYLSRUSA-N 409.574 5.051 0 40 HKAB CO[C@H](C)c1nc(CN(C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)cs1 95455989 YLCJPWMFEHLYTB-DLBZAZTESA-N 406.555 5.382 0 40 HKAB COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3Cl)C[C@H]21 100747832 AJCTUOVVUOISQR-AUSIDOKSSA-N 412.917 5.177 0 40 HKAB biogenic CCc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)cc1 113928966 MTLYDWYLYWTAMD-DHYWSWINSA-N 422.572 6.798 0 40 HKAB CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118926741 KNPATZSHRPGJID-IQJZVECRSA-N 402.575 5.449 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1C(C)C 223349046 WZKHMTKMFYLNEV-NRFANRHFSA-N 422.613 5.525 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1C(C)C 223376081 POCXIOZWQRKVGN-WOJBJXKFSA-N 411.586 6.204 0 40 HKAB S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(Sc2ccccc2)nc1 223974594 WITCSWXRNGUWAB-UHFFFAOYSA-N 419.619 6.031 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1cccc(C)c1 224117000 TUHZFNDTEOCZNG-FQEVSTJZSA-N 403.522 5.334 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccc(OC)cc1 224598059 GUJAVIBBTCZIAC-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)ccc1OC1CCCC1 225580781 NVEANBICEXQGGX-UHFFFAOYSA-N 413.945 5.657 0 40 HKAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)sc2c1CCCC2 225644383 WZYADMQZEDJCNC-OAHLLOKOSA-N 415.555 5.251 0 40 HKAB CCCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)cc1C(=O)OC 225852500 BCYAIUFQEZPCKU-UHFFFAOYSA-N 405.535 5.110 0 40 HKAB S=C(NCc1ccco1)Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1 225913058 NDCGZQVRRQSXQB-UHFFFAOYSA-N 418.478 5.141 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCC2)c2ccccc12 225945135 DSRXMSVCZAMZJW-UHFFFAOYSA-N 403.478 5.418 0 40 HKAB O=C1c2ccccc2CN1c1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 226286135 IFPPZNBBGQBFRT-UHFFFAOYSA-N 410.860 6.462 0 40 HKAB Cc1cc(N)c(NC(=O)c2cccc(Br)c2)cc1N1C[C@@H](C)C[C@H](C)C1 226330223 NYFHIOPEYBDJOT-KBPBESRZSA-N 416.363 5.074 0 40 HKAB O=C(c1ccccc1-c1ccccc1)N1CCOC[C@H](Cc2ccc3ncccc3c2)C1 257204953 AXANVHFFNAOOIJ-JOCHJYFZSA-N 422.528 5.233 0 40 HKAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 408812054 NKCUDZATVCNYBO-YVLHZVERSA-N 421.877 5.123 0 40 HKAB S=C(Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)NC1CCCCC1 408980800 XTUVPDNKJUZOAJ-UHFFFAOYSA-N 416.554 5.239 0 40 HKAB CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=O)N(c2cccc(Cl)c2)C1=O 409347972 NZXGCEPBEVARFJ-BKUYFWCQSA-N 423.921 6.521 0 40 HKAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nc(-c2cccs2)c(C)s1 881328 BEKLSVGUMBEVDV-UHFFFAOYSA-N 414.943 5.580 0 40 HKAB Cc1nc(C(=O)Nc2ccc(F)cc2)nn1-c1cc(OC(C)C)c(Cl)cc1Cl 1403239 VBYZTODZEZMNCW-UHFFFAOYSA-N 423.275 5.061 0 40 HKAB CC[C@H](C)c1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 1459921 ITLLNJZEFJIHRH-ZFWWWQNUSA-N 405.325 5.499 0 40 HKAB COC(=O)c1c(NC(=O)c2c(F)cccc2F)sc(C)c1-c1ccc(C)cc1 2089068 TWEZXEBVDRFXMX-UHFFFAOYSA-N 401.434 5.349 0 40 HKAB CCn1c(NC(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 2209903 PESYRDOYEPUIGI-UHFFFAOYSA-N 402.881 5.594 0 40 HKAB COC(=O)c1cccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)c1 2268150 RNNHHMISLHZGCK-UHFFFAOYSA-N 424.287 6.134 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@H]3CCCc4ccccc43)cc12 2441692 FJDRSXVNOSJDFP-FQEVSTJZSA-N 421.953 5.856 0 40 HKAB CCOC(=O)c1c(C)n(CC)c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc12 3177347 CQSFXWNNBZOPOH-UHFFFAOYSA-N 420.292 5.672 0 40 HKAB C[C@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)Nc1cccc(Cl)c1Cl 3289282 KODNXKQJQVUNRJ-ZDUSSCGKSA-N 424.299 5.515 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1ccccc1Cl 3301502 PLMAEDYDBBLWDK-UHFFFAOYSA-N 409.898 5.215 0 40 HKAB CC1CCN(c2nc(CN3CCCCC3)nc3scc(-c4ccccc4)c23)CC1 3335883 RATWPNWVUUMXKZ-UHFFFAOYSA-N 406.599 5.581 0 40 HKAB COc1ccccc1OCC(=O)N(c1cccc(Cl)c1)c1nc2ccccc2s1 3407576 OKAJKTGEHYZILR-UHFFFAOYSA-N 424.909 5.702 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 4120282 CBIIJQGKGFCJAR-UHFFFAOYSA-N 414.427 5.720 0 40 HKAB COc1ccc(-c2nnc(SCc3ccccc3)n2-c2ccccc2)cc1OC 4186584 JHBCORFVLFAFNJ-UHFFFAOYSA-N 403.507 5.244 0 40 HKAB CCCCCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 4279327 BQZIHORGPXFRAC-UHFFFAOYSA-N 410.539 5.948 0 40 HKAB CCCCCC1CCC(C2CCC(C(=O)Oc3ccc(OC(F)F)cc3)CC2)CC1 4603675 LHVUKNHVSYHILY-UHFFFAOYSA-N 422.556 7.387 0 40 HKAB O=C(CC1c2ccccc2Oc2ccccc21)NC1c2ccccc2-c2ccccc21 4614973 FSGRIESEAFUELJ-UHFFFAOYSA-N 403.481 6.201 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)NC45CC6CC(CC(C6)C4)C5)cc3)sc2c1 4616446 ZSLSMTJGIZYZKI-UHFFFAOYSA-N 417.578 6.362 0 40 HKAB CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc4ccccc34)=NN12 4860339 AZDLYSBFWZXLKW-RUZDIDTESA-N 411.549 5.584 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)sc(C)c1C 4880561 CDDQGPQPOWGRBF-UHFFFAOYSA-N 404.875 5.102 0 40 HKAB CC(C)(C)c1ccc(C(=O)CSc2nnc(-c3ccoc3)c(-c3ccoc3)n2)cc1 4993620 AAIAPTJYGZUPQQ-UHFFFAOYSA-N 419.506 5.664 0 40 HKAB Cc1cc(C)c2sc(N(Cc3cccnc3)C(=O)c3ccc(N(C)C)cc3)nc2c1 5142376 IBQAKNVGHGWGQL-UHFFFAOYSA-N 416.550 5.221 0 40 HKAB COc1ccc(OC)c([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)c1 5253324 MUHGJSQSIWIOBS-RCZVLFRGSA-N 400.478 5.255 0 40 HKAB COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)CCc3ccccc3)nc12 5265388 WVGITSAXLVMRHT-UHFFFAOYSA-N 417.534 5.174 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1 5499158 JMFFWHWRDVEGNE-UHFFFAOYSA-N 424.570 5.002 0 40 HKAB COc1ccccc1CN(Cc1cccs1)C(=S)Nc1ccc(C(C)=O)cc1 5699086 ZTSKEIAIOJVBRD-UHFFFAOYSA-N 410.564 5.359 0 40 HKAB Cc1ccc2c(c1)[C@H](c1ccccc1)C[C@@H](C)N2S(=O)(=O)c1cccc(Cl)c1 6034399 BCGJJEZJPSFDFT-UTKZUKDTSA-N 411.954 5.768 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)cc1 6355897 ZERMJGRKZVCGEW-MRXNPFEDSA-N 422.481 5.072 0 40 HKAB COc1ccc(CN(C(=O)OCc2ccccc2C)c2ccccc2C(=O)O)cc1 6925086 PBIOQDFWOMDUCX-UHFFFAOYSA-N 405.450 5.045 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 7080179 BINADDRTQKVDLX-KRWDZBQOSA-N 416.546 6.494 0 40 HKAB C[C@@H](N[C@H](C)c1cccs1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 7664198 XDSZRYRRMMHLAM-HZPDHXFCSA-N 421.591 5.626 0 40 HKAB CC(C)[C@@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)c1ccc2c(c1)OCCCO2 7783238 PHEOZUNVOPHXRT-AREMUKBSSA-N 419.521 5.139 0 40 HKAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1nnc(-c2ccccc2)o1 8186726 CPCQOTOZBBKRSA-ZDUSSCGKSA-N 407.474 5.322 0 40 HKAB Cc1c(O[C@@H]2CCCCC2=O)ccc2c(-c3ccccc3)c(-c3ccccc3)c(=O)oc12 8437572 QEOTXZZKIZWMNR-XMMPIXPASA-N 424.496 6.326 0 40 HKAB Cc1ccccc1OCC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 8571556 ZAACCRZSDTZYCW-UHFFFAOYSA-N 408.910 5.943 0 40 HKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1ccccn1 8827472 WTPBAGWLKNVJFF-LJQANCHMSA-N 423.255 5.245 0 40 HKAB Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc(C)c1Cl 8869558 BMNFKEXBSCKOCI-IBGZPJMESA-N 422.352 5.197 0 40 HKAB O=C(Nc1cccs1)Nc1nnc(SCc2c(F)cccc2Cl)s1 9324184 QZXRZDDNJHPBQE-UHFFFAOYSA-N 400.913 5.328 0 40 HKAB O=S(=O)(Cc1ccc(F)cc1)Nc1ccccc1SCc1ccc(Cl)cc1 10112693 WOHOWRAYMFSXAH-UHFFFAOYSA-N 421.946 5.713 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(C)cc2)cc1 12193349 PDONABPSOACVER-RCZVLFRGSA-N 400.478 5.255 0 40 HKAB CCOc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3ccc(F)cc3)C[C@@H]21 12196089 HLJZQDKEDAJTRD-XUZZJYLKSA-N 422.887 6.120 0 40 HKAB Cc1nc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc(OC(C)C)n1 12226026 LODFWIRWJXKACH-UHFFFAOYSA-N 411.893 5.613 0 40 HKAB Cc1ccccc1NC(=O)c1ccc2c(=O)n(-c3cccc(C)c3C)c(=S)[nH]c2c1 12516830 AYGYGBLOBAXPIN-UHFFFAOYSA-N 415.518 5.226 0 40 HKAB Cc1cccc(/N=c2\scc(-c3ccc(F)cc3)n2Cc2ccccc2Cl)c1C 12622207 FCRSADNYYCAZJK-PNHLSOANSA-N 422.956 6.907 0 40 HKAB CC(C)Cn1c(SCC(=O)N(C)Cc2nc3ccccc3s2)nc2ccccc21 12737717 XCBQXIOECFPZMQ-UHFFFAOYSA-N 424.595 5.053 0 40 HKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)N(Cc1cccnc1)C1CC1 12739266 QYPQHKYRNPZGRG-DTQAZKPQSA-N 420.516 5.139 0 40 HKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1ccc(F)c(F)c1 13129087 BNWPIAKQMXDNFS-MDWZMJQESA-N 419.406 5.609 0 40 HKAB CCc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C(C)C)ccc4o3)c2)cc1 17091712 LBNLEKXNINTXID-UHFFFAOYSA-N 418.924 7.086 0 40 HKAB COc1ccc(-c2nn(Cc3ccccc3F)c(-c3ccc(OC)cc3)c2Cl)cc1 17093316 BZOLJPSTXHTQLV-UHFFFAOYSA-N 422.887 6.075 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 20040755 SVBZRGKOFCDGRW-LJQANCHMSA-N 405.563 6.177 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)Nc1ccc(Cl)c(C(=O)O)c1 20145413 OMXRMRWRESLWSO-XBXARRHUSA-N 420.223 5.743 0 40 HKAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 20528566 LGHGGZCJLOWMND-UHFFFAOYSA-N 418.276 6.071 0 40 HKAB O=C(Cc1nc(-c2c(-c3ccccc3)[nH]c3ccccc23)cs1)NCc1ccccc1 24280958 CTKWYJQMXBQKJL-UHFFFAOYSA-N 423.541 5.817 0 40 HKAB C[C@@H](Nc1ccc(Oc2ccccc2Cl)cc1)C(=O)Nc1c(F)cccc1F 32855911 HSDJKPUMYRXUEW-CYBMUJFWSA-N 402.828 5.850 0 40 HKAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NC[C@H](C)c1ccccc1 40145044 JBJMEXVQLQGETJ-HNNXBMFYSA-N 412.942 5.496 0 40 HKAB COc1c(Br)cc(-c2nc3ccc(F)cc3s2)cc1Br 45920046 PKOIVZNMMQTPFF-UHFFFAOYSA-N 417.097 5.636 0 40 HKAB Cn1ccnc1-c1cnc(N2CCC(C(C)(C)C)CC2)nc1-c1ccc(Cl)cc1 57761999 AXVVUQYNYLHXIZ-UHFFFAOYSA-N 409.965 5.460 0 40 HKAB O=C(NCc1ccc(F)cc1)N(Cc1ccc(Cl)c(Cl)c1)Cc1ccccn1 58136162 QYKGYZFNQVAIHQ-UHFFFAOYSA-N 418.299 5.440 0 40 HKAB O=C(OCc1csc(Br)c1)c1ccccc1C(=O)c1cccs1 58654225 ZLQCHGQOYUMJAO-UHFFFAOYSA-N 407.310 5.160 0 40 HKAB CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C)cc2)cc1 59483202 HSDBXTNEYSPMHI-RUZDIDTESA-N 400.522 6.335 0 40 HKAB Clc1ccc(Cl)c(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c1 72333542 VIWHWEPBSIUCHZ-UHFFFAOYSA-N 405.354 5.627 0 40 HKAB C/C(=C\c1ccccc1)CN1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 72398590 LBQAWOAUZJZLPY-QMNSUMBQSA-N 405.586 5.101 0 40 HKAB O=C1N=C(Nc2cccc(OC(F)(F)F)c2)/C(=C/c2ccc3nccnc3c2)S1 72401855 AZSFUKCNOMFBFO-SXGWCWSVSA-N 416.384 5.247 0 40 HKAB Cc1ccc(-n2cc(-c3nc(-c4cccc(F)c4)no3)c3ccccc3c2=O)cc1C 96324348 CSFBMKRUNSWXAY-UHFFFAOYSA-N 411.436 5.464 0 40 HKAB C/C(=N\Nc1nc(-c2ccccc2)c2cc(Br)ccc2n1)c1ccccc1 101094570 CMDSZNUQRULHQA-CVKSISIWSA-N 417.310 5.895 0 40 HKAB COc1ccc(-c2csc(C3=C(O)CN([C@@H](C)c4ccccc4)C3=N)n2)cc1OC 102719056 QKIZMNSDNNQOHM-AWEZNQCLSA-N 421.522 5.150 0 40 HKAB Cc1ccc(N2C(=O)/C(=C/Nc3cccc(Cl)c3C)c3ccccc3C2=O)cc1C 103004958 FVTMRVLUXGDQQC-KGENOOAVSA-N 416.908 5.905 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 106688374 DMHCULNRXTXGAI-YQNUULROSA-N 401.915 5.754 0 40 HKAB COc1cc(OC)cc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 218890951 RIXFOLWGKMVFEU-UHFFFAOYSA-N 413.857 5.167 0 40 HKAB CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1 222936897 GHVDGOCOGSMBFV-QHCPKHFHSA-N 411.586 5.679 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224925070 XEWOHCQTRSUXKE-UHFFFAOYSA-N 400.453 6.271 0 40 HKAB COc1ccc(C)cc1NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 225339207 YAWCQNYTLFPBDE-UHFFFAOYSA-N 415.518 5.370 0 40 HKAB CCOC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1 225510992 NTUZTUFGPPSJQQ-QFIPXVFZSA-N 404.535 5.248 0 40 HKAB COc1ccc(CCNC(=S)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 408572369 GMJWSAALBMHSFX-UHFFFAOYSA-N 411.954 5.435 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)cc1 408700203 ZLPXSKLVWJEOAS-UHFFFAOYSA-N 420.875 5.542 0 40 HKAB Cc1cccc(-n2nc(C(=O)NC3CCCCC3)cc2-c2ccc3ccccc3c2)c1 408724087 DWNNSCGZZJJCNQ-UHFFFAOYSA-N 409.533 6.063 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Cl)c(C)c1 409382629 VSTHKZOSIGTIGR-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)CCC1CCCC1)CCOCCO2 643572661 LYRAFDXWLCFQAC-UHFFFAOYSA-N 421.581 5.294 0 40 HKAB CCC(=O)N1CCCCCCCN(CC)C(=O)c2ccccc2O[C@H]2CCCC[C@H]21 643583291 NZASZCJSXCHNAH-GGAORHGYSA-N 414.590 5.041 0 40 HKAB O=C(N[C@@H](Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl)c1ccco1 823827 LPYXKEGFZRLVAF-GFCCVEGCSA-N 402.492 5.125 0 40 HKAB O=c1oc2ccc(Br)cc2cc1-c1cn2c(n1)sc1cc(F)ccc12 856323 LYOFYYCHKIWOKS-UHFFFAOYSA-N 415.243 5.224 0 40 HKAB Cc1ccc(-c2csc(N3C(=O)CS[C@H]3c3ccc4ccccc4c3)n2)cc1 1087334 YYDBYZRMVXQBJI-QFIPXVFZSA-N 402.544 6.050 0 40 HKAB COc1ccccc1[C@H]1c2c(-c3ccc(C)cc3)n[nH]c2C(=O)N1c1ccc(F)cc1 1097735 NRHYIFUEKFEVOU-DEOSSOPVSA-N 413.452 5.283 0 40 HKAB COc1ccc(CN(CC[C@@H](Cc2ccccc2)c2ccc(OC)cc2)C(C)=O)cc1 1322534 HMYMAWNTJABJFM-VWLOTQADSA-N 417.549 5.469 0 40 HKAB biogenic Cc1nc(-c2ccc(NC(=O)c3c(-c4ccccc4Cl)noc3C)cc2)cs1 1432686 RMKPPBSIQHHEBS-UHFFFAOYSA-N 409.898 5.988 0 40 HKAB COC(CCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1)OC 1447630 QWNGDPLLUIKMNI-UHFFFAOYSA-N 422.916 5.162 0 40 HKAB C1=C(c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C[C@@H]2CCCC[C@@H]2C1 1563596 CPEYWROBUIDLPI-FTJBHMTQSA-N 424.584 7.828 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)OCCCOc1ccc(Cl)cc1Cl 1668503 RYDMWDGXQGVATI-UHFFFAOYSA-N 424.107 5.691 0 40 HKAB CCCCOc1ccc(-n2sc3c(c2=S)-c2cc(C)ccc2NC3(C)C)cc1 2068839 IHVZLDXCNZKTKJ-UHFFFAOYSA-N 410.608 7.083 0 40 HKAB O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)c1ccc(F)cc1 2447238 USWKXGXODBTAFI-UHFFFAOYSA-N 423.900 5.702 0 40 HKAB O=C(CN1c2ccccc2Sc2ccccc21)Nc1cc(Cl)ccc1Cl 2632774 QROUNNLTSWWXPS-UHFFFAOYSA-N 401.318 6.235 0 40 HKAB Cc1cc(C(=O)CSc2nnc(C)n2Cc2ccccc2)c(C)n1CCC(C)C 2645412 JJWQPQDNNFPDOU-UHFFFAOYSA-N 410.587 5.074 0 40 HKAB CCSc1nc2sc3c(c2c(=O)n1-c1cc(Cl)ccc1OC)CC[C@@H](C)C3 2646852 JSXXAZWMBIVPCN-LLVKDONJSA-N 420.987 5.346 0 40 HKAB Cc1nn(-c2cccc(Cl)c2)c2nc(-c3ccccc3F)cc(C(F)(F)F)c12 2659443 CXMPRPCFDYIDTH-UHFFFAOYSA-N 405.782 6.207 0 40 HKAB Cc1cccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)c1 2714471 SGMZRFRRHJSMJC-UHFFFAOYSA-N 410.908 6.793 0 40 HKAB COc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)c2ccccc2)cc1 2721178 ZMHYIFLOCUBTEE-UHFFFAOYSA-N 402.519 5.366 0 40 HKAB aggregator CCCCCOC(=O)c1c(N)n([C@@H](C)c2ccccc2)c2nc3ccccc3nc12 3222183 URRCLLJAQRSENB-INIZCTEOSA-N 402.498 5.123 0 40 HKAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccc(Br)cc1 3227651 IBZWYFKUEDBRRG-UHFFFAOYSA-N 421.718 5.340 0 40 HKAB Cc1cccc(C)c1Nc1nnc(SCC(=O)c2c(C)[nH]c3ccccc23)s1 3299982 WZZWOWJUROYFOB-UHFFFAOYSA-N 408.552 5.663 0 40 HKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3325404 ZOTUCGJZANXKTI-UHFFFAOYSA-N 419.365 6.283 0 40 HKAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1cc(C(F)(F)F)ccc1Cl 3348652 SILQUSYPDOGKKE-UHFFFAOYSA-N 421.802 5.236 0 40 HKAB CC(C)c1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 3769408 CZRSWPNGLGJUJF-VCHYOVAHSA-N 406.334 6.353 0 40 HKAB O=S(=O)(c1ccccc1)n1c(SCc2ccc(Cl)cc2)nc2ccccc21 3947126 YYTYTOFNTZOBJL-UHFFFAOYSA-N 414.939 5.219 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nnc(-c3c(C)c(C)cc(C)c3C)s2)cc1 4070439 KPHXXPIMHUGOTH-UHFFFAOYSA-N 409.555 5.870 0 40 HKAB CC[C@H](C(=O)NCCCCCCNC(=O)[C@@H](CC)c1ccccc1)c1ccccc1 4113278 ZOLXMMVJBCMZED-ZEQRLZLVSA-N 408.586 5.167 0 40 HKAB O=C(c1ccc(Br)cc1)n1nc2c(c1-c1ccc(Cl)cc1)CCCC2 4357460 DOXNNILJTAERSL-UHFFFAOYSA-N 415.718 5.533 0 40 HKAB O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1ccccc1SCc1ccccc1 4525890 CANNZYAYXHADNS-UHFFFAOYSA-N 421.606 5.694 0 40 HKAB CCCCc1ccc(N2C[C@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 4557490 AHQLAEDSPWSAEG-MRXNPFEDSA-N 404.432 5.040 0 40 HKAB O=C(Oc1ccc2c(Br)cccc2c1)c1ccc(-c2ccccc2)cc1 4666485 GOXVNDBCMNKVKE-UHFFFAOYSA-N 403.275 6.489 0 40 HKAB CC(=O)Nc1ccc(-c2nnc(SCc3ccc(F)cc3)n2-c2ccccc2)cc1 4748585 WOCCFXUJIIETJA-UHFFFAOYSA-N 418.497 5.324 0 40 HKAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2)o1 5100467 GQAIFZKRTCDEPV-DOMZBBRYSA-N 411.955 5.627 0 40 HKAB Cc1cccc(NC(=O)CSc2nn(-c3ccc(F)cc3)c(=S)s2)c1C 5176020 OMXFQPYGKWENKG-UHFFFAOYSA-N 405.545 5.150 0 40 HKAB O=S(=O)(Nc1ccccc1Cl)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 5262097 WJUFJJZJLIYFSO-UHFFFAOYSA-N 401.959 5.609 0 40 HKAB CCC(=O)N(CC[C@H](CCC(C)C)c1ccc(OC(C)C)cc1)Cc1ccccc1 5499189 LGKRMPAXHYCDNC-VWLOTQADSA-N 409.614 6.823 0 40 HKAB COc1cccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1 5603842 IYPLQQXVMMQFRJ-UHFFFAOYSA-N 400.528 6.504 0 40 HKAB O=C1CC[C@@H](C(Sc2ccccc2)(Sc2ccccc2)Sc2ccccc2)C1 5641072 USIKWNLYPYOUFY-LJQANCHMSA-N 422.640 7.386 0 40 HKAB CCN(CC)CCOc1ccc(CN[C@@H](C)CCC2=C(C)CCCC2(C)C)cc1 6382320 ZUVFIPSVQKJRER-QFIPXVFZSA-N 400.651 6.192 0 40 HKAB CCOc1ccccc1OCCCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 6606554 SDQNWQLHDSIXAR-QHCPKHFHSA-N 413.514 5.351 0 40 HKAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccc(Oc2ccccc2)cc1 7577443 NABUQESJJCIUKO-ZDUSSCGKSA-N 412.540 5.024 0 40 HKAB Cn1ccnc1Sc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 7738651 NBKGCELXGHTGSJ-UHFFFAOYSA-N 401.520 5.305 0 40 HKAB O=C(Nc1cccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c1)c1ccccc1Cl 7886293 CKVOXNLDVFYJNO-JOCHJYFZSA-N 417.896 5.321 0 40 HKAB O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1cc(Cl)cc(Cl)c1 9366836 YNNGULIBTLTGRC-UHFFFAOYSA-N 414.314 5.529 0 40 HKAB C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 9614163 BKEBPTWIEQKMNS-HNNXBMFYSA-N 409.873 5.281 0 40 HKAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1SCc1cccs1 9882535 AEZJRPZESRGRSH-UHFFFAOYSA-N 410.564 5.129 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120079 KRZVUVRXKMNOBC-UHFFFAOYSA-N 408.457 5.833 0 40 HKAB Cc1ccc(Cl)c(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)c1Cl 10139753 QSUMOVFJCWDJAD-UHFFFAOYSA-N 416.352 5.601 0 40 HKAB Cc1cc(C)c2c(N)c(-c3cc(=O)oc4cc(-c5ccccc5)c(O)cc34)sc2n1 11865329 XHRNLJOVPZAENC-UHFFFAOYSA-N 414.486 5.641 0 40 HKAB biogenic COc1ccc(Cl)cc1NC(=O)c1csc2nc(-c3ccc(F)cc3)cn12 11902634 SVOXERARUJZOFI-UHFFFAOYSA-N 401.850 5.116 0 40 HKAB O=C(c1ccccc1Br)N1c2ccccc2Sc2ccc(Cl)cc21 12021146 BVNGMQSUPRHNHZ-UHFFFAOYSA-N 416.727 6.546 0 40 HKAB CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 12137057 NHQMGJFJXKTGLH-UHFFFAOYSA-N 408.542 5.232 0 40 HKAB O=C(CCCC(=O)OCCCc1ccccc1)Nc1ccc(Oc2ccccc2)cc1 12137267 ODOTYLKOTYHXDN-UHFFFAOYSA-N 417.505 5.764 0 40 HKAB Cc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)c2cccs2)cc1 12408457 XDEHYQZSBBVTMV-UHFFFAOYSA-N 416.568 5.141 0 40 HKAB O=C(N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1cccs1 12540120 LPAYBSADVKDPND-KRWDZBQOSA-N 401.413 5.163 0 40 HKAB O=Cc1cn(-c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)nc1-c1ccccc1 12569562 FCMZUBCFGHAMHT-UHFFFAOYSA-N 410.864 5.615 0 40 HKAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1cccc(NC(=O)Nc2ccccc2)c1 13004359 OPYVNEBRCQBLSO-UHFFFAOYSA-N 413.399 5.531 0 40 HKAB O=C(CCc1ncc(-c2ccccc2F)o1)Oc1ccc(OCc2ccccc2)cc1 13009930 ZZEQOHREVOJLBX-UHFFFAOYSA-N 417.436 5.598 0 40 HKAB Cc1ccc(COc2cccc(C(=S)N3CCN(c4ccc(F)cc4)CC3)c2)cc1 13546986 ULXJIGAXKHJEDR-UHFFFAOYSA-N 420.553 5.211 0 40 HKAB Cc1ccccc1CSCCNC(=O)N1c2ccccc2Sc2ccccc21 13717164 AMJMAZAFORPASQ-UHFFFAOYSA-N 406.576 6.241 0 40 HKAB O=C(NCC(c1ccccc1)c1ccccc1)c1ccc2nc(-n3cccc3)sc2c1 13723714 WVAFJHULHYCZRG-UHFFFAOYSA-N 423.541 5.649 0 40 HKAB COc1ccc([C@@H]2CC(=O)Nc3nc(Nc4ccccc4)sc32)cc1OC(C)C 15110068 DVZOXZSTJSRUON-INIZCTEOSA-N 409.511 5.157 0 40 HKAB Cc1[nH]c2ccccc2c1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1 15906468 LULQZQRKGMMOSV-UHFFFAOYSA-N 423.566 7.285 0 40 HKAB CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)C1=O 16681437 KSXLZONAFJZZAG-BOPFTXTBSA-N 418.312 5.084 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3o2)c(C)c1 17087536 SGATUXNGLLQTRV-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(Cl)cc3)CC[C@@H]21 19334346 XNEHZCJKCRBFKC-FKBYEOEOSA-N 415.002 5.018 0 40 HKAB COc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)CCC3CCCC3)c2)cc1 19881473 PDICTXVCZFBMBH-UHFFFAOYSA-N 400.906 5.510 0 40 HKAB Cc1cccc(-c2n[nH]c(SCc3nnc(-c4ccc(Cl)cc4Cl)o3)n2)c1 19927586 WJHFFHZCRVVIRM-UHFFFAOYSA-N 418.309 5.429 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CSCc3ccccc3)c2)cc1 20483437 NNCCHCKQVSBNMH-UHFFFAOYSA-N 417.574 6.087 0 40 HKAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1c(F)cccc1Cl)CO3 20610157 VJDBZEWZLVWWTL-UHFFFAOYSA-N 421.855 5.605 0 40 HKAB biogenic CCN(CC)CCNCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 22075742 PELRANJLUMTSJW-UHFFFAOYSA-N 411.373 5.012 0 40 HKAB C[C@H]1CCN(C(=O)c2csc(COc3ccc(F)cc3)n2)c2ccccc2S1 25597759 HEEPMJPBFBOPLS-AWEZNQCLSA-N 414.527 5.392 0 40 HKAB CCCOc1ccccc1C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 28288519 VSEDOBLBXSZBCX-UHFFFAOYSA-N 400.931 5.225 0 40 HKAB CN(C)[C@H](CNC(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1Cl 32736319 CHZCQFDSLIBFLK-LJQANCHMSA-N 421.031 5.241 0 40 HKAB C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccccc4C(=O)N4CCCCC4)cc3c2C1 32972100 GARDBIGJTFRFDW-KRWDZBQOSA-N 415.537 5.171 0 40 HKAB Clc1ccccc1/C=C1/CCCC2=C1N=C1N=CNN1[C@H]2c1ccccc1Cl 38182398 CQVVXEGDIXUDOK-MQGIHEMASA-N 409.320 5.774 0 40 HKAB CC(C)CCCCCC[C@@]1(C(=O)O)CCCC[C@@]1(CCCCCCC(C)C)C(=O)O 38799461 OLAQBFHDYFMSAJ-UIOOFZCWSA-N 424.666 7.696 0 40 HKAB Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N1CCc2ccccc2C1 40121935 NGWWNAAQYCLSEU-UHFFFAOYSA-N 400.482 5.229 0 40 HKAB CC1CCN(c2ccc(NC(=O)CN[C@@H](c3ccccc3)c3cccs3)cc2)CC1 57270646 BLKJYDDRJBPCBA-VWLOTQADSA-N 419.594 5.302 0 40 HKAB Cc1cccc2c(-c3ccncc3)c([C@@H]3CCCN(C(=O)c4cscn4)C3)[nH]c12 72396760 DEUOKRMLHKIFMX-QGZVFWFLSA-N 402.523 5.015 0 40 HKAB COc1cccc(-c2c[nH]c([C@@H]3CCCN3Cc3ncc(-c4ccccc4)o3)n2)c1 79058865 MSLGZUQNIOTJRM-NRFANRHFSA-N 400.482 5.077 0 40 HKAB CCOc1ccc(-c2noc(CSc3nnc(-c4cc5ccccc5o4)o3)n2)cc1 89991213 LXEUHXJJCKZOFB-UHFFFAOYSA-N 420.450 5.224 0 40 HKAB CC(C)c1ccccc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 98072941 DPENHLSKOCLVKF-UHFFFAOYSA-N 422.266 5.392 0 40 HKAB COC(=O)c1ccc(NC(=O)CC23C[C@@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 100864066 PMUPVGKIKOHKCZ-LNXYEHLSSA-N 417.549 5.648 0 40 HKAB COc1ccc([C@H]2OC[C@@]3(COC(=O)Nc4ccccc4)[C@@H](C)C=C(C)[C@H]2[C@H]3C)cc1 101076467 OGCHLIHOPGTPPY-QXNAMNINSA-N 421.537 5.850 0 40 HKAB biogenic C[C@@]12CC3CC(NC(=O)c4sc5cc(Cl)ccc5c4Cl)(C1)C[C@@](C)(C3)C2 101195930 FRHBPEYZUKNHLN-KWIVTOGJSA-N 408.394 6.687 0 40 HKAB N=c1c2c(ncn1Cc1ccccc1)Oc1cc(O)ccc1[C@H]2c1ccc(Cl)cc1 101358915 VDGOHEFECBCGHA-OAQYLSRUSA-N 415.880 5.056 0 40 HKAB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@H](c4ccsc4)C3=C(O)C2)cc1OC 102737963 WIXPAIRCLDFMJA-BTYIYWSLSA-N 422.506 5.669 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 106689700 ITXFAFHERYNQSX-GQFJFNLSSA-N 415.486 5.248 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1OCC 139895448 ULSQABJVVZDFTN-HNNXBMFYSA-N 405.922 5.172 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2F)cc1)c1cc(-c2ccc(F)cc2)no1 141589335 YFXSNAMVLQWRDD-UHFFFAOYSA-N 406.388 5.451 0 40 HKAB CC[C@H](NC(=O)c1ccccc1I)c1ccc2c(c1)CCCC2 223024810 KLEYHKUHRPTGQC-IBGZPJMESA-N 419.306 5.051 0 40 HKAB COc1ccc(OCc2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2OC)cc1 224265382 YLIXIWXINJKPFG-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(C(C)=O)c3)o2)cc1 224911398 UOXKGLZYIYYZIH-UHFFFAOYSA-N 412.445 5.472 0 40 HKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225745197 MLMODSNKIRNXCC-TYBLODHISA-N 418.622 5.357 0 40 HKAB COC(=O)c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)o1 226302805 ZOHRQNAFTIRGER-UHFFFAOYSA-N 415.327 5.964 0 40 HKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)cc1 408780894 MSYZQQDANZOUPI-QKSFETHESA-N 416.546 5.428 0 40 HKAB O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 408971530 HUWXVFWGWWIJMR-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB CCn1c(-c2ccc(C)cc2)nn(CC(=O)Nc2ccc(C)c(Cl)c2)c1=S 639405 XQXOVKXIXNUYDA-UHFFFAOYSA-N 400.935 5.010 0 40 HKAB Cc1cc(C)c(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)c(C)c1 672745 RAHMTSZWNRFLCR-UHFFFAOYSA-N 410.473 5.808 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1 672809 SQBVNVRIIBOFKX-NSHDSACASA-N 405.951 5.295 0 40 HKAB Cc1ccc(OCC(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1C 702344 YRAIWBRXHYNGPW-UHFFFAOYSA-N 419.959 5.118 0 40 HKAB COc1ccc([C@H](CCN(C[C@@H]2CCOC(C)(C)C2)C(C)=O)c2ccccc2)cc1 1322296 XWVVJKVSQBGTHS-PXDATVDWSA-N 409.570 5.271 0 40 HKAB biogenic Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1 1341758 HIQHZOLPTZGJTO-JOCHJYFZSA-N 422.550 5.487 0 40 HKAB Cc1cc(C)cc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc23)c1 2088674 WEWXSPCFERVWQB-UHFFFAOYSA-N 400.909 6.733 0 40 HKAB CCCCCCc1cc2cc(C(N)=O)/c(=N/c3cccc4ccccc34)oc2cc1O 2088935 KKIYVIWETXKTNL-SGEDCAFJSA-N 414.505 5.746 0 40 HKAB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CCc1ccccc1 2361665 DIFNHPAUYJSLQR-UHFFFAOYSA-N 411.617 6.729 0 40 HKAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccc(C(C)(C)C)cc4)nnc32)cc1Cl 2412857 VBGKVOYAIKPLEH-UHFFFAOYSA-N 416.916 5.390 0 40 HKAB CCn1cc(-c2cc(C(=O)N[C@@H]3CCCc4ccccc43)c3ccccc3n2)c(C)n1 2806229 CXFVIIUBHFECDC-HSZRJFAPSA-N 410.521 5.234 0 40 HKAB C[C@H](Sc1ncnc2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3253551 RJEWEMMRUNPIQM-JTQLQIEISA-N 411.836 5.421 0 40 HKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccccc3Cc3ccccc3)cc12 3286873 WHRKTALPHMBINN-UHFFFAOYSA-N 423.541 6.239 0 40 HKAB O=C(COc1ccccc1Cl)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 3655422 BGDQQXBSQVFTDA-UHFFFAOYSA-N 423.827 5.474 0 40 HKAB O=[S@](Cc1ccccc1)CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 4002095 GJYABQOTGJEBQU-SANMLTNESA-N 405.346 5.178 0 40 HKAB Cc1cc(C)cc(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)c1 4200749 AGDHDYSFKWCDGE-UHFFFAOYSA-N 409.536 5.084 0 40 HKAB Clc1ccc(C2=NN(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 4482234 UQUWTZKZUKIQBV-OAQYLSRUSA-N 401.724 7.003 0 40 HKAB CC(=O)Nc1ccc(-c2nnc(SCc3ccccc3)n2-c2ccccc2)cc1 4748583 STBKBDHXYGCCPN-UHFFFAOYSA-N 400.507 5.185 0 40 HKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C(C)C)cc2)o1 5025951 QOIYWKCQFBKIPA-ZJSXRUAMSA-N 406.913 6.607 0 40 HKAB CCCCCOC(=O)c1c(N)n(-c2ccc(C)c(Cl)c2)c2nc3ccccc3nc12 5155984 JXRBEPCMYYIZSW-UHFFFAOYSA-N 422.916 5.465 0 40 HKAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cc1 5210482 LITBSALWARUDHZ-QGZVFWFLSA-N 415.518 5.831 0 40 HKAB Cc1ccc(NC(=O)COC(=O)[C@H]2CCCC[C@H]2c2nc3ccccc3s2)cc1C 6541655 FIZPFMLFAHKMPA-MOPGFXCFSA-N 422.550 5.369 0 40 HKAB O=C(NCc1cccs1)c1ccc2nc(-c3ccoc3)c(-c3ccoc3)nc2c1 6678079 PDHQUVPUXACPLB-UHFFFAOYSA-N 401.447 5.141 0 40 HKAB Cc1ccc(-c2c(NC(=O)CN3CCC[C@H](C)C3)oc3ccc(Cl)cc3c2=O)cc1 6754883 VNIYDRWIJPYSKT-INIZCTEOSA-N 424.928 5.092 0 40 HKAB CCN(C(=O)c1ccccc1C)c1nc(-c2ccc(Br)cc2)cs1 6826394 UBTDVNKZWFEIMU-UHFFFAOYSA-N 401.329 5.548 0 40 HKAB Fc1ccc(CSc2nnc(COc3ccccc3F)n2-c2ccccc2)cc1 6830393 ZENCGABUODOUCB-UHFFFAOYSA-N 409.461 5.417 0 40 HKAB Clc1cc(CSc2nnc(C3CC3)n2-c2ccccc2)cc2c1OCCCO2 6976285 ZAUQKXDILKOZPJ-UHFFFAOYSA-N 413.930 5.252 0 40 HKAB CCOc1cc(C(=O)O)cc(Br)c1OCc1cccc2ccccc12 7604040 SFSLGVLDZWQOID-UHFFFAOYSA-N 401.256 5.278 0 40 HKAB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)s2)cc1 7758572 BOHDARBKLJSELD-ZIAGYGMSSA-N 416.547 5.087 0 40 HKAB CC(C)[C@H](NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCCO2 7781382 KIKKXRWEBQURJR-PQCZLFTGSA-N 419.443 5.393 0 40 HKAB Cc1ccc(C(=O)[C@@H](Sc2nnc(C3CC3)n2C2CC2)c2ccc(C)cc2)cc1 7851812 ITTKTVICSDNYIG-QFIPXVFZSA-N 403.551 5.824 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc2)cc1C 7881795 BMJRQYUFBZNHSF-OAQYLSRUSA-N 414.505 5.083 0 40 HKAB O=C(CCCc1c[nH]c2ccccc12)Nc1cccc(-c2nnc3n2CCCCC3)c1 8129056 VHVYFKXCZQLQRP-UHFFFAOYSA-N 413.525 5.114 0 40 HKAB O=C1c2n[nH]c(-c3ccccc3)c2[C@H](c2ccccc2Cl)N1c1ccc(Cl)cc1 9358305 LNSSITDBOGZKRZ-QFIPXVFZSA-N 420.299 6.133 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)cc(=O)c3c2)cc1 9660192 KSJHJCRYGNWEMS-UHFFFAOYSA-N 415.464 6.149 0 40 HKAB biogenic CCc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)cc1 9668080 OFLSCTAQHZIQJY-UHFFFAOYSA-N 418.924 7.086 0 40 HKAB CCc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(Cl)cc23)cc1 9676023 FHDMZHXVHAVWHC-UHFFFAOYSA-N 418.327 7.110 0 40 HKAB C[C@H](NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)c1cccs1 12567856 KMYNRXLQTWHNLR-KBXCAEBGSA-N 413.930 5.023 0 40 HKAB CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)s2)cc1C 12800088 BMIDXHUBBSLDPH-FMIVXFBMSA-N 410.926 5.987 0 40 HKAB CCc1ccc(C(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C32SCCS2)s1 13015591 TWIJSKPYGIGJPQ-GOOCMWNKSA-N 410.626 5.039 0 40 HKAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2Cl)cc1C 13617250 DRQKQUUYDZPIPP-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB Cc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(C)o4)=NN23)cc1 13757634 SZFFOXDITBYPHE-KNQAVFIVSA-N 423.310 5.901 0 40 HKAB CCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(Br)cc1 14071202 AXCPNNHYZMYYMB-UHFFFAOYSA-N 408.752 5.673 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)NCc2csc(-c3ccccc3)n2)cc(C)c1Cl 15832364 YTVABMOMVUWKDA-HNNXBMFYSA-N 400.931 5.164 0 40 HKAB CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 17087846 XOHRMOIJSAOSIQ-UHFFFAOYSA-N 408.310 5.271 0 40 HKAB O=C(C1CCCC1)N1CCC[C@@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 19687908 YSVGBHCKBXESME-OAQYLSRUSA-N 402.460 5.545 0 40 HKAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 30943714 WCOYJJKWPRFBFQ-YLJYHZDGSA-N 419.396 5.343 0 40 HKAB Cc1ccc(N(Cc2ccco2)C(=O)C2CCN(c3ccc(Cl)cn3)CC2)cc1 31744690 LHQAJWPPDFSDBL-UHFFFAOYSA-N 409.917 5.086 0 40 HKAB COc1cc(OC)c(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1Cl 32102083 SOLMDEZJBYBICC-UHFFFAOYSA-N 419.868 5.220 0 40 HKAB CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 32114974 PHNMSQRTZYWPPZ-UHFFFAOYSA-N 423.872 5.286 0 40 HKAB FC(F)(F)c1cc(NC(=S)NCCSCc2ccccc2)ccc1Cl 33518768 RATFTVOQJITBKA-UHFFFAOYSA-N 404.910 5.579 0 40 HKAB Cc1ccc(CN(CCc2nc3ccccc3[nH]2)C(=O)Nc2ccc(F)cc2)cc1 35311580 APKJKSOQESFCKY-UHFFFAOYSA-N 402.473 5.287 0 40 HKAB CC[C@H](c1ccc(F)cc1)n1cc(C(=O)Nc2cc(Cl)c3oc(C)cc3c2)nn1 35317101 JPXYTXIOAOPVLH-LJQANCHMSA-N 412.852 5.377 0 40 HKAB Cc1cc(C)c(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c(Cl)c1 36447616 YSJBDSWEBFLBNY-NRFANRHFSA-N 416.999 5.666 0 40 HKAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(OCCSc2ccccc2)cc1 38771170 WDXFNGKNFOWWII-FQEVSTJZSA-N 405.563 5.609 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c1 38858309 UMQKJQYYRUGFPO-QGZVFWFLSA-N 405.325 5.047 0 40 HKAB Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c(C)c1 44934928 PGUIPJVMSGDVLA-KRWDZBQOSA-N 419.396 5.700 0 40 HKAB Cc1nc(-c2ccc(NC(=O)c3ccc(C4SCCCS4)cc3)cc2)oc1C 54672955 KJKGEUVZGDISLH-UHFFFAOYSA-N 410.564 6.079 0 40 HKAB CCN(C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1cccc(C)c1 62580639 VAFDRPUWVNOGJQ-UHFFFAOYSA-N 406.486 5.110 0 40 HKAB CCCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 72215587 SBWORMDCTVQUAT-NRFANRHFSA-N 401.595 6.093 0 40 HKAB O=C([C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CC=C(c2cncc3ccccc23)CC1 96012073 DALHKKQAXVEROW-FCHUYYIVSA-N 422.450 5.673 0 40 HKAB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H](c3cccnc3)C2=C(O)C1 103998136 IUWBLQVBDZNHAY-VWLOTQADSA-N 423.516 6.188 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)o2)cc1C 107657191 YWAQBBDVVPSCKM-UHFFFAOYSA-N 424.525 7.092 0 40 HKAB CC[C@@H](/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118913880 CSVWWLUMXNHWSU-RUBVBRFZSA-N 414.718 7.881 0 40 HKAB biogenic,in-vitro CN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C 118936270 PLKVWYPBRRRIQG-PPRGJWHCSA-N 400.695 5.964 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 219343500 KMEMPLUGNNFENW-NRFANRHFSA-N 415.493 5.014 0 40 HKAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1C 223450638 FUYDCQZBQZQFOB-KRWDZBQOSA-N 418.375 5.754 0 40 HKAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 223883267 YJKYTCGVPQZNGW-OALUTQOASA-N 414.987 5.040 0 40 HKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)c1 224524034 WMFVEWWSEZEHAH-PKTZIBPZSA-N 418.566 5.021 0 40 HKAB CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 224861320 KNADKWREFKYETK-VQTJNVASSA-N 412.946 5.000 0 40 HKAB Cc1ccc(C(=O)Nc2c(Cl)cccc2Cl)c(I)c1 225023152 NNMZJMHIIULHII-UHFFFAOYSA-N 406.050 5.159 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1)c1ccc(C)c(C)c1 225370475 IFCKKRZVAYMCSQ-KDYMBEQYSA-N 416.521 5.243 0 40 HKAB S=C(Nc1ccc(OC2CCCC2)cc1)NC(c1ccccc1)c1ccccc1 225520034 LBTMWIOXQKKNTM-UHFFFAOYSA-N 402.563 6.084 0 40 HKAB O=C(N[C@H](c1cccnc1)C1CCOCC1)c1ccc(-c2cccc(Cl)c2)cc1 225619078 BAURTNYQSMUANT-QHCPKHFHSA-N 406.913 5.300 0 40 HKAB CCOC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c1C 225700328 WANCIOTYWIOVOM-HSZRJFAPSA-N 418.562 5.556 0 40 HKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 225817114 GITKARVIKRYFRG-QGZVFWFLSA-N 421.924 6.417 0 40 HKAB CCc1cccc(C)c1NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225831344 DMRJZRIEOAJCIP-UHFFFAOYSA-N 411.505 5.846 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1nc2ccccc2s1 408573890 PZAHIRGSGZUQBE-ACCUITESSA-N 405.504 5.083 0 40 HKAB CC(=O)c1cccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)c1 408620522 GYSWBXPWVGQPED-UHFFFAOYSA-N 400.689 5.484 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)cc3Cl)nc2-c2ccccc2)c1 408694993 NNKSATSYNYYPSM-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB CN1C(=O)S/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O 408810427 IXLVMHUWCDDDNT-NVMNQCDNSA-N 417.317 5.663 0 40 HKAB CCOc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 408814667 PXIGGLFFQDTSOM-GXEQYHJJSA-N 421.586 6.139 0 40 HKAB Cc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccccc2)cc1 409090072 QGEKSVAUWMYEAT-UHFFFAOYSA-N 407.542 6.688 0 40 HKAB O=C(NC[C@H]1CC2c3ccccc3C1c1ccccc12)c1cc(O)nc2cc(F)ccc12 523511547 MFHLDGUFGLBNDQ-BOSVWEEJSA-N 424.475 5.107 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2cc(CC)c(-c3ccccc3)s2)cc1 585152355 SKWHAOMBMAPWMV-UHFFFAOYSA-N 407.535 6.187 0 40 HKAB COc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1Cl 849874 ZAOKTAKXQLHAOJ-UHFFFAOYSA-N 413.260 6.063 0 40 HKAB CC(=O)N(CC[C@@H](c1ccc(C)cc1)c1ccc(OC(C)C)cc1)Cc1ccco1 1321688 LIVPLQUWCKYLML-SANMLTNESA-N 405.538 5.946 0 40 HKAB biogenic O=C(Nc1ccccc1-c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(Cl)c1 1379864 FKENTFKYUMLAOJ-JOCHJYFZSA-N 419.912 5.642 0 40 HKAB Brc1ccc(Cn2c(-c3ccc(Br)o3)nc3ccccc32)o1 1447045 XIYLXOICWPVXGN-UHFFFAOYSA-N 422.076 5.463 0 40 HKAB CCO[P@@](=O)(C(NC(=O)c1ccc(Cl)cc1)=C(Cl)Cl)c1ccccc1 1921284 IZJXSBPPKSPIKH-RUZDIDTESA-N 418.644 5.314 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 1945750 KMNMIEAIZURHIO-CQSZACIVSA-N 419.974 5.982 0 40 HKAB Cc1ccc2oc(C(=O)Nc3cccc(-c4cc5ccccc5oc4=O)c3)c(C)c2c1 2050964 WJUOEHIKOBHVLE-UHFFFAOYSA-N 409.441 6.075 0 40 HKAB Cc1ccccc1CSCC(=O)NCCSCc1ccc(Cl)c(Cl)c1 2089112 UPJOWHNNDHEIIB-UHFFFAOYSA-N 414.423 5.585 0 40 HKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(c1ccccc1F)CO3 2124765 UAIIMCGJPZGKJV-UHFFFAOYSA-N 415.464 5.496 0 40 HKAB biogenic CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(Br)cc1C)CO3 2158864 NDFUOKGTZZWJGO-UHFFFAOYSA-N 414.299 5.091 0 40 HKAB biogenic CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1Cl 2177499 NWLIYNWTXQKZHU-WXPCENJTSA-N 401.937 6.458 0 40 HKAB CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CCC(=O)O 2255531 OAGOBIGTJYTMNV-UHFFFAOYSA-N 423.490 5.062 0 40 HKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)COc1ccc(Cl)cc1 2334056 UFUXGGUPJNRYBQ-SANMLTNESA-N 419.952 6.240 0 40 HKAB Cc1ccc(-c2c(NC(=O)c3ccccc3C)n(-c3ccc(C)cc3)nc(C)c2=O)cc1 2337608 JFVWVJJZWIYNDW-UHFFFAOYSA-N 423.516 5.385 0 40 HKAB C[C@H](Oc1ccc2cc(Br)ccc2c1)C(=O)c1ccc(C(C)(C)C)cc1 2637233 AFSYCRXBSKOVGS-HNNXBMFYSA-N 411.339 6.550 0 40 HKAB C[C@@H]1CCCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)C1 2714411 BPJIPMXEDFWHOR-QGZVFWFLSA-N 402.929 5.977 0 40 HKAB CCOC(=O)N[C@@H]1Cc2ccccc2[C@@H]1Sc1ncc(C(F)(F)F)cc1Cl 3048231 MWSJHMRNHUOSGT-CABCVRRESA-N 416.852 5.258 0 40 HKAB CN(C)CC(C)(C)CNC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12 3225690 AFSNNYQCXYYERO-UHFFFAOYSA-N 411.549 5.373 0 40 HKAB Cc1cc(=O)oc2c1ccc1occ(Nc3ccc(Br)c(Cl)c3)c12 3671982 DWPRYBYRRHXKOW-UHFFFAOYSA-N 404.647 6.007 0 40 HKAB Cc1ccc(-c2nc(NCc3ccccc3Cl)n(C(=O)c3cccs3)n2)cc1 4739682 ILZZDZSWSIXLSM-UHFFFAOYSA-N 408.914 5.269 0 40 HKAB Cc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccc(Br)cc2)c[nH]1 4945305 RSESTJWZVADYPJ-ZDUSSCGKSA-N 416.344 5.267 0 40 HKAB COc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(C)cc23)cc1 4970202 DKBICMIWWJRMOE-UHFFFAOYSA-N 413.908 6.520 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(Cc1ccccc1)C3=O 5555346 GGADADZZUQSEHO-JOCHJYFZSA-N 415.876 5.500 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)c1 5698248 SJRAISVFJWGEQU-RDJZCZTQSA-N 404.392 5.006 0 40 HKAB O=C(/C=C/c1cccc(Cl)c1)O[C@@H]1CCCCCN1C(=O)c1ccc(F)cc1 5752896 JJYQTNWWXUKJPX-ZTVSIKPCSA-N 401.865 5.078 0 40 HKAB COc1ccc(-c2nc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3)sc2C)cc1 6217507 HHQUBKKCZMOMCI-GFCCVEGCSA-N 402.903 5.187 0 40 HKAB CCOC(=O)c1ccc(COC(=O)c2ccc(COc3ccc(C)cc3)cc2)cc1 6386834 IPOINRZEEOQTOB-UHFFFAOYSA-N 404.462 5.108 0 40 HKAB Cc1cccc(C)c1NC(=O)COC(=O)CSc1cccc2cccc(Cl)c12 6486004 NXHBVJRILJDMCK-UHFFFAOYSA-N 413.926 5.384 0 40 HKAB Cc1nc(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)n(C2CCCC2)c1C 6657605 JPSSVGXOPGJULE-GFCCVEGCSA-N 413.374 5.436 0 40 HKAB Clc1cccc(-c2noc(CSc3ncnc4sc5c(c34)CCC5)n2)c1 7085479 BWSJVGWXMXIEBO-UHFFFAOYSA-N 400.916 5.176 0 40 HKAB Cc1cc(NC(=O)c2ccc(CSc3nnc(C4CC4)n3C)cc2)ccc1Cl 7235276 CFLHBIRMLWAVLE-UHFFFAOYSA-N 412.946 5.199 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1SC[C@@H]1CCCO1 8327447 BUUNPJQWZAKOMV-CVEARBPZSA-N 412.580 5.401 0 40 HKAB COc1ccc(OC)c(NC(=O)c2ccc(-n3nc(C)cc3-c3ccccc3)cc2)c1 8491414 KZEVGXAMLVFKRB-UHFFFAOYSA-N 413.477 5.117 0 40 HKAB CCCCOc1ccccc1-c1nc2c(c3nc4ccccc4n13)Cc1ccccc1O2 8625774 ZUMMYMOQRLWSGF-UHFFFAOYSA-N 421.500 6.425 0 40 HKAB Cn1cccc1[C@H]1CCCN1C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 12743350 OLAPIFZPGJTWQD-JOCHJYFZSA-N 410.602 5.622 0 40 HKAB C[C@@H]1CCc2nc3ccccc3c(C(=O)O[C@H](C)c3nnc(-c4cccs4)o3)c2C1 12857372 ZHOXXIIDLJKAJX-ZIAGYGMSSA-N 419.506 5.389 0 40 HKAB O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1ccccc1I 12998586 NOIIXMFGSCYQBX-UHFFFAOYSA-N 411.242 5.115 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12999399 RDRCQKKAPVPMEJ-UHFFFAOYSA-N 403.526 5.197 0 40 HKAB Cc1ccc(-c2nn(Cc3ccccc3C)c(-c3ccc(C)c(C)c3)c2Cl)cc1C 13960693 AIBLHCOFWDJVAC-UHFFFAOYSA-N 414.980 7.461 0 40 HKAB O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1cccc2ccccc12 14131927 WTVGTYOFHXIDLI-XDHOZWIPSA-N 424.319 5.839 0 40 HKAB C[C@@H]1Sc2ccc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2NC1=O 14698598 PXUXDMOFOAHAQX-JTQLQIEISA-N 415.927 5.149 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 15014031 CFVUBTCWQIKUEP-SNVBAGLBSA-N 417.214 5.004 0 40 HKAB COc1ccc(-c2ccc(CCC(=O)Nc3ccccc3Br)o2)cc1 15867365 NTIQBHCZJVDXDM-UHFFFAOYSA-N 400.272 5.289 0 40 HKAB C[C@H]1C[C@@H](C)CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)C1 16712820 MRFTYVLARGHQCE-HDICACEKSA-N 416.956 6.223 0 40 HKAB COc1ccc(C(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c(OC)c1 19691485 WFMGWYZXSIRAAM-QHCPKHFHSA-N 420.484 5.191 0 40 HKAB CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2)cc1 20970326 MSDROWPVVCMDSR-XMMPIXPASA-N 424.504 5.363 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Nc1ccc(C(F)(F)F)cc1 22072704 JJRMPYAREBPHEE-UHFFFAOYSA-N 409.770 5.889 0 40 HKAB O=C(COCc1nc2ccccc2s1)N1CCc2sccc2[C@H]1c1ccccc1 25899444 LJYUHJAYWYJTKB-HSZRJFAPSA-N 420.559 5.049 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C 26779877 DKKBUWCHKDXRGX-UHFFFAOYSA-N 422.613 7.148 0 40 HKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NCc1ccc(F)cc1 30990291 GPHKWGUOKYEEOU-UHFFFAOYSA-N 414.484 5.020 0 40 HKAB O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCC[C@@H](c2nc3ccccc3o2)C1 31128346 KJKKZBOOVAPXHT-MRXNPFEDSA-N 420.440 5.159 0 40 HKAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1ccc(F)cc1Cl 32579054 CGTMMXHGUPYOHN-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB Cc1sc(-c2ccncc2)cc1C1=C(c2cc(-c3ccncc3)sc2C)CCC1 38299541 LLQAIDHAAXVYTF-UHFFFAOYSA-N 414.599 7.645 0 40 HKAB O=C(NCCSc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 38836818 PPMRFZWFPSLCHP-KRWDZBQOSA-N 423.409 5.114 0 40 HKAB CSc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3CC(C)(C)CC(=O)[C@H]32)cc1 39380652 GONTXJAEPHIUGB-YNJKOYDBSA-N 401.575 6.817 0 40 HKAB Cc1nc(NC(=O)c2ccc(O[C@H](C)c3ccccc3)nc2)sc1-c1ccccn1 40132455 RMVBFRYEPVCQPM-MRXNPFEDSA-N 416.506 5.301 0 40 HKAB Cc1cc(-c2nn3c(-c4ccccc4Br)nnc3s2)c2ccccc2n1 45221570 GQXJJIADUYUPOT-UHFFFAOYSA-N 422.311 5.139 0 40 HKAB O=C([C@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CC=C(c2ccccc2)CC1 48302115 SWFDNYJGTUXKNF-RTWAWAEBSA-N 400.547 5.662 0 40 HKAB CCCCOc1cccc(C(=O)Nc2cc(C)c(I)c(C)c2)c1 57313276 MELRYCMVICIXBS-UHFFFAOYSA-N 423.294 5.339 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2Cl)nc1 67296553 MPFITXKAQJVKDM-ROMGYVFFSA-N 407.832 5.413 0 40 HKAB C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCc2nc(-c3ccccc3F)sc2C1 72392036 VSAISRDKPNLXQJ-AWEZNQCLSA-N 414.933 5.366 0 40 HKAB C[C@@](O)(CNC(=O)Nc1ccccc1C(F)(F)F)c1ccc(-c2ccccc2)cc1 77184437 TZBFKYCYFBLXJW-JOCHJYFZSA-N 414.427 5.402 0 40 HKAB OC1=C2C(=Nc3ccccc3N[C@H]2c2cccc(O)c2)C[C@@H](c2ccc(Cl)cc2)C1 100426852 CFVWLTUWJKRNJS-NSYGIPOTSA-N 416.908 6.675 0 40 HKAB CN(Cc1ccsc1)C(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2 102818792 UQIMFNDREWVNEN-GHRIWEEISA-N 400.503 5.648 0 40 HKAB CC1(C)CC2=Nc3ccccc3N[C@@H](c3ccc(OCc4ccccc4)cc3)C2=C(O)C1 102875278 RKIIFBFXWOSZHP-MHZLTWQESA-N 424.544 7.137 0 40 HKAB COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1 214397270 OMHFNWUPIREUIS-CAOOACKPSA-N 424.305 5.247 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1OCc1ccccc1 218987791 CHOVUGUMSLHNGI-JOCHJYFZSA-N 417.505 5.306 0 40 HKAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccccc3C(C)C)c2)cc1 222546042 PZXGSWKDDLIYOR-UHFFFAOYSA-N 422.550 5.196 0 40 HKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)cc1 223751671 RAHMTXNAMIHSDV-DHIUTWEWSA-N 418.566 5.021 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 224188738 RYNQLVWESJRWCK-LOSJGSFVSA-N 409.570 5.635 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 224238914 CMMCZZJADRNWMQ-QHCPKHFHSA-N 409.570 5.006 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H]2CCCc3ccccc32)cc1 224365874 ZSVROZDRKKXQJG-LEYFIJQKSA-N 416.546 5.021 0 40 HKAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 224878653 NNASLMHYOLPYKN-RBUKOAKNSA-N 401.934 5.696 0 40 HKAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 225158106 FABBZLKGDHQDJP-RUZDIDTESA-N 422.613 5.385 0 40 HKAB COC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c1C 225699607 KWBHPUZURYGVCW-QFIPXVFZSA-N 404.535 5.166 0 40 HKAB CCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225716316 HXZRBLHJDVOPBD-OTPAQWSUSA-N 416.606 5.111 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@@H](CC)c2ccc(C)cc2C)cc1Cl 225716463 FPOVDZPPTBNHAU-IBGZPJMESA-N 404.963 5.571 0 40 HKAB Cc1cccc([C@H](NC(=O)CSCc2ccc(Cl)cc2F)c2ccccc2)c1 225764952 HVWHHGQMRYZKLS-HSZRJFAPSA-N 413.945 5.927 0 40 HKAB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@@]12C 257349631 POCIWPZSSSLOPM-UJAHLPJVSA-N 418.706 6.685 0 40 HKAB CN(C)c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 408620665 INIAKZPYLCYSEU-CSKARUKUSA-N 401.293 5.971 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(-c2cc3ccccc3oc2=O)c1 408629058 KHNWSMFBHLFQSP-JLHYYAGUSA-N 401.849 5.765 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2cc(C)ccc2C)cc1 408696243 YOKHOTRTUXRGTH-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(F)cc3)n2)cc1 408698165 LQABRJQRDLJOCY-UHFFFAOYSA-N 400.457 5.197 0 40 HKAB CCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccc(Cl)cc1 408831784 HIZREVIWZKSJHZ-UHFFFAOYSA-N 415.002 6.571 0 40 HKAB Cc1cc(Br)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1C 408912562 NWKHYOIJOBBPSF-LLVKDONJSA-N 417.130 5.779 0 40 HKAB CCc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2cccc3ccccc23)cc1 408971401 NUCGXRKKPZWFBR-UHFFFAOYSA-N 412.489 5.272 0 40 HKAB CC[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O 409009332 DHTXINNHFVZBMQ-FFCYNSPCSA-N 406.301 5.544 0 40 HKAB CC(C)Cn1c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nnc1-c1ccc(Cl)cc1 409108274 ZEFFRQIXQINJOU-HZPDHXFCSA-N 421.010 5.136 0 40 HKAB Cc1ccc(COc2ccc(Br)cc2CNc2cc(C)ccc2C)cc1 409111781 CPZRBLQMCWEFBR-UHFFFAOYSA-N 410.355 6.565 0 40 HKAB CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCc1ccc(F)cc1 409112350 FXAHGHAJPJKNQQ-UHFFFAOYSA-N 413.920 6.631 0 40 HKAB CC(C)C(NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2)C(C)C 409177513 BOBZZDYJQLIVBS-JDUAMKAOSA-N 416.609 6.394 0 40 HKAB CC(C)n1c(S[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1N(C)C 504495344 CXTOPEZJACFIKG-INIZCTEOSA-N 409.559 5.031 0 40 HKAB COc1ccc2[nH]cc(CCNC(=O)c3cc(C)cc4c3NC(C)(C)C=C4C)c2c1 2033970152 GVPOKZQNAAUIKI-UHFFFAOYSA-N 403.526 5.065 0 40 HKAB Fc1ccc(CN2CCC3(CC[C@@H](Oc4cccnc4)c4ccccc43)CC2)cc1F 2055745538 IPJKLPJTPLEEQJ-RUZDIDTESA-N 420.503 5.808 0 40 HKAB CC[C@H]1CCc2nc3sc(C(=O)Nc4cc(Cl)cc(Cl)c4)c(N)c3cc2C1 661907 WPKVSJDJZDUEHE-JTQLQIEISA-N 420.365 5.953 0 40 HKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2-c2ccccc2)cc1 744062 FHTIMULRXKVFOR-UHFFFAOYSA-N 418.497 5.113 0 40 HKAB COc1ccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)cc1 882083 ALZDXQCEAKJKHA-UHFFFAOYSA-N 414.530 5.708 0 40 HKAB O=C(Nc1ccc(F)cc1)c1cccc(OC(=S)Nc2ccc(Cl)cc2)c1 1052287 PVJUNGNAGOMHPI-UHFFFAOYSA-N 400.862 5.507 0 40 HKAB COc1ccc(NC(=O)C[C@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1 1322585 KTMCXBDPKPKSCG-RUZDIDTESA-N 403.522 5.952 0 40 HKAB biogenic CCOC(=O)c1nnc(-c2cccc(C(F)(F)F)c2)nc1Oc1ccc(Cl)cc1 1392118 VQTWFFZAXUFYSC-UHFFFAOYSA-N 423.778 5.180 0 40 HKAB CCOc1ccccc1Oc1coc2cc(OCc3ccc(F)cc3)ccc2c1=O 1448110 ZBVOHACOAXALEO-UHFFFAOYSA-N 406.409 5.702 0 40 HKAB biogenic CCCCCCNC(=O)/C(=C/c1ccc(Cl)cc1Cl)NC(=O)c1ccccc1 1637164 SOHYKCDPQJLBHI-ZHZULCJRSA-N 419.352 5.461 0 40 HKAB C=CC(=O)Oc1ccc(C(C)(C)c2ccc(OC(=O)C=C)c(Cl)c2)c(Cl)c1 1669475 RNYVRRDDPHKDGJ-UHFFFAOYSA-N 405.277 5.502 0 40 HKAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)sc2c1CCCC2 1956805 RLOTWIKZOGGULA-CYBMUJFWSA-N 421.946 5.090 0 40 HKAB Cc1ccc(-c2cc(C(=O)Oc3ccc(Cl)cc3Cl)c3cccc(C)c3n2)cc1 2079369 BXHHSTORJNCUJR-UHFFFAOYSA-N 422.311 7.045 0 40 HKAB CCC[C@@H]1Cc2c(sc3nc(SCc4ccccc4Cl)nc(N)c23)CO1 2221438 NHUGCIVBDTZNIU-GFCCVEGCSA-N 405.976 5.461 0 40 HKAB CC(C)(C)N(Cc1ccccc1)C(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2348371 RGRLGCMZMKKOKL-UHFFFAOYSA-N 420.553 5.060 0 40 HKAB CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(C(C)C)cc1 2427849 QVUQQUFVDLBXEO-NEKDWFFYSA-N 403.503 5.533 0 40 HKAB Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)cc1 2557641 RQYKIYKDOJRCOV-UHFFFAOYSA-N 400.319 7.154 0 40 HKAB CC(C)OC(=O)c1ccccc1NC(=O)c1ccc(COc2ccccc2Cl)cc1 2755767 LWGIOZANCBVFLH-UHFFFAOYSA-N 423.896 5.737 0 40 HKAB O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)c1cccc(Cl)c1 3111093 STMBZQHYXAIRFP-UHFFFAOYSA-N 418.743 6.506 0 40 HKAB C[C@H](Sc1ncnc2sccc12)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3430063 KFGOFUJTFOYIGP-QMMMGPOBSA-N 417.865 5.483 0 40 HKAB COc1ccc(CN(CC[C@@]2(c3ccc(C)cc3)CCO[C@@H](C(C)C)C2)C(C)=O)cc1 4043630 JGXOSEIPYHFJEJ-KAYWLYCHSA-N 423.597 5.515 0 40 HKAB biogenic Cc1ccc2nc3sc(C(=O)Nc4ccccc4-c4ccccc4)c(N)c3cc2c1 4125367 MLZYQMMBEKVNRL-UHFFFAOYSA-N 409.514 6.259 0 40 HKAB CSc1nc2ccc3nc(NC(=O)c4ccc(OC(C)C)cc4)sc3c2s1 4134760 QPCGTYCVGAMTHL-UHFFFAOYSA-N 415.565 5.667 0 40 HKAB O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(Cl)c(Cl)c3)[C@H]12 4311541 AJIAWTPEXUHVFS-SIKLNZKXSA-N 410.325 6.774 0 40 HKAB C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1ccccc1)C(=S)N2c1ccc(F)cc1 4821890 IOGZHUKBQDMUCO-RDPSFJRHSA-N 418.493 5.313 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1 5125881 NFJWSMQFYCFWPI-MDWZMJQESA-N 403.869 5.544 0 40 HKAB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1cccc(Cl)c1)c1ccco1 5206063 OMYZAUYPTMDXNR-UHFFFAOYSA-N 400.217 5.612 0 40 HKAB Cc1ccc(Nc2nc(CSc3nnc(Cc4cccs4)n3C)cs2)cc1 5280242 VNGWZXNLBPQBJH-UHFFFAOYSA-N 413.597 5.268 0 40 HKAB Cc1ccc(N2C(=O)C[C@@]2(C(=O)NC2CCCCC2)c2ccc(C(C)C)cc2)c(C)c1 5452157 YAZXRUBTELEARS-MHZLTWQESA-N 418.581 5.508 0 40 HKAB CCCCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 5468045 GTZIXTILFSFHII-UHFFFAOYSA-N 414.936 7.150 0 40 HKAB O=C(COc1ccccc1F)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 5526145 FJPHBQRGPJCXIG-GVEOXPPKSA-N 420.440 5.214 0 40 HKAB C[C@@H](CCCC(C)(C)Cl)CCOC(=O)CCC(=O)Nc1nc2ccccc2s1 5919488 NGEPZKLACWJDJK-HNNXBMFYSA-N 424.994 5.772 0 40 HKAB Cc1ccc(-c2ccc([C@H]3N=C(O)c4c(sc5c4CC[C@@H](C)C5)N3)o2)cc1Cl 6449852 OWTFUNOLIXMXBY-GIPWTMENSA-N 412.942 6.524 0 40 HKAB COc1ccccc1NC(=O)c1oc2ccccc2c1CSCc1ccccc1 6584384 LCYBMNHLUUOEOH-UHFFFAOYSA-N 403.503 6.127 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccc(Cl)cc1)Cc1ccco1 6810589 TUFLOMPLPCHPMA-UHFFFAOYSA-N 404.293 5.503 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)C(=O)c1c(-c2ccccc2)cc2ccccn12 7604334 RKUJZBCBEBEYMA-UHFFFAOYSA-N 408.379 5.447 0 40 HKAB Cc1nn(CC(C)C)c2sc(C(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)cc12 7737366 QVTHYZCWTOJPFI-IBGZPJMESA-N 409.559 5.066 0 40 HKAB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)Nc3cccc(Cl)c3Cl)cc2c1C 7778157 VIQUYQVGKBKZDH-GFCCVEGCSA-N 405.281 5.276 0 40 HKAB Cc1ccc(-c2csc3ncn(CC(=O)c4ccc(Cl)cc4)c(=O)c23)s1 7853017 ZXGVUAAAKBDRMK-UHFFFAOYSA-N 400.912 5.031 0 40 HKAB CC(C)[C@@H](NC(=O)/C=C/c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCCO2 7981114 ZDRPLJGNUWQCBP-HWWNHIDJSA-N 419.443 5.393 0 40 HKAB COc1cc(CNC2CCCC2)cc(Br)c1OCc1ccc(F)cc1 8470221 PBXKUANLRRKMSD-UHFFFAOYSA-N 408.311 5.208 0 40 HKAB COc1ccccc1CN(C)C(=O)c1oc2ccccc2c1COc1ccccc1 8485416 VAMSPQPOXCYQFF-UHFFFAOYSA-N 401.462 5.293 0 40 HKAB O[C@@H](c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Oc1ccccc1 8762794 ZLRUGDAWYQJHOZ-SFHVURJKSA-N 414.210 6.281 0 40 HKAB Cc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2cccc(C)c2C)cc1 9076065 HBDDTRJHPNNROG-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB O=C(Cc1csc(-c2ccc(Cl)cc2)n1)Nc1ccccc1-c1ccccc1 9417246 BTDUPRNCUCSVNB-UHFFFAOYSA-N 404.922 6.312 0 40 HKAB CSc1ncccc1C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 9510118 RWWHNPXAAXWJGF-UHFFFAOYSA-N 420.563 5.539 0 40 HKAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 10024186 ZIYGHFUVAHEGCV-LJQANCHMSA-N 407.441 5.224 0 40 HKAB Fc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN23)cc1F 12196306 CBIKFGOZVOXVKJ-XLIONFOSSA-N 402.853 5.922 0 40 HKAB Clc1ccccc1CSc1cc2nc3ccccc3n2c(-c2ccccc2)n1 12564777 VQAYSPZQKOVGQF-UHFFFAOYSA-N 401.922 6.495 0 40 HKAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1 13038893 XZTJELFXCCDJGK-ITFRHSDVSA-N 411.929 5.213 0 40 HKAB O=c1c2cc(Br)ccc2nc(/C=C/c2ccc(O)cc2)n1-c1ccccc1 13598412 IAMXJYAWPDQXNO-MDWZMJQESA-N 419.278 5.024 0 40 HKAB Cc1ccc2cc(CN(C(=O)C3CCCCC3)c3ccc(C)c(C)c3)c(=O)[nH]c2c1 13712777 VYCIIBZLLYIXAX-UHFFFAOYSA-N 402.538 5.567 0 40 HKAB COc1ccc([C@@H]2N=C(O)c3c(-c4ccccc4)csc3N2)cc1Br 13838245 LFFQXOVUTKIQQA-QGZVFWFLSA-N 415.312 5.615 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3Cl)c3ccccc3n2)cc1 13966196 WZDWYVCUZFVARS-UHFFFAOYSA-N 423.299 6.470 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(NC(=O)c2cccs2)c1 14201935 OQYHLFMFMZRTFW-AWEZNQCLSA-N 421.547 5.443 0 40 HKAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1nc(-c2ccccc2)oc1C 14848111 OYKUNFGTCQHLPS-UHFFFAOYSA-N 418.415 5.639 0 40 HKAB O=S(=O)(Nc1nc2c(ccc3ccccc32)s1)c1ccc(Br)cc1 16526154 MQWHAKVVMKJFRQ-UHFFFAOYSA-N 419.325 5.013 0 40 HKAB CCOc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@H](c2ccco2)C3)cc1 19817275 FUVPZGDRWCESPM-QGZVFWFLSA-N 413.477 5.520 0 40 HKAB O=C1c2cc3ccccc3nc2N[C@@H](c2cccc(Cl)c2Cl)N1c1ccccc1 19848818 HEPNBIYIWRIEES-JOCHJYFZSA-N 420.299 6.313 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 20610519 CEEYKOMZTXAQMY-UHFFFAOYSA-N 414.509 5.585 0 40 HKAB O=C(Nc1ccc2nc(SCCOc3ccccc3)sc2c1)c1cccc(F)c1 20895085 YDTKXAKATPNBMI-UHFFFAOYSA-N 424.522 5.859 0 40 HKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(C)cc2)cc1 20970006 URAKIMWMIHNFJD-RUZDIDTESA-N 422.532 5.835 0 40 HKAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)Nc3ccccc3OC(F)F)c12 22239276 OQVZRJCLKRMMQB-UHFFFAOYSA-N 413.355 5.191 0 40 HKAB CC(C)c1ccccc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 26486337 GGVPFHHXYFPILY-CQSZACIVSA-N 422.356 5.014 0 40 HKAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=S)Nc1ccc(Cl)c(C)c1 27232010 LHOSMEWKAXSGKE-UHFFFAOYSA-N 410.370 5.268 0 40 HKAB COc1ccc(C(C)=O)cc1COC(=O)c1cc(-c2ccco2)nc2ccccc12 33761573 NERWVLQSLHLZCK-UHFFFAOYSA-N 401.418 5.063 0 40 HKAB O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCC1=CCCCC1 40397271 PWEJNQCPVRYKBV-UHFFFAOYSA-N 404.901 5.255 0 40 HKAB CCOC(=O)c1nc(-c2ccc(C)cc2)oc1Sc1ccc(Br)cc1 41154518 OKQQGURROAULFR-UHFFFAOYSA-N 418.312 5.740 0 40 HKAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 44912868 VOLCIMHLHDFNCF-NVXWUHKLSA-N 403.353 5.183 0 40 HKAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3cc[nH]c3c2)C12CCCC2 72324848 LGCOGIPCKJPRBP-GAJHUEQPSA-N 415.537 5.457 0 40 HKAB biogenic O=C(Nc1ccc(F)cc1)O[C@@H]1CCC[C@@H](NC(=O)c2ccccc2C(F)(F)F)C1 77200297 MYEUCUCLMUZOEB-HZPDHXFCSA-N 424.394 5.134 0 40 HKAB Cc1cc(C)c(-c2ccc3c(c2)Cc2cc(-c4c(C)cc(C)cc4C)ccc2-3)c(C)c1 80816313 HRTBJVPOLKULEE-UHFFFAOYSA-N 402.581 8.442 0 40 HKAB O=C1CN(C(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)c2ccccc2N1 84582999 DPBRGROAQDENNY-UHFFFAOYSA-N 410.804 5.172 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CCCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 90377481 IVFWZYOGAYVLRF-YTAOHXRWSA-N 408.623 6.165 0 40 HKAB CCOC(=O)COc1ccc(-c2cc(-c3ccc(Cl)cc3)c3ccccc3n2)cc1 95947687 KZKHSBPDVIBVLV-UHFFFAOYSA-N 417.892 6.164 0 40 HKAB CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc1 104149867 NTBJPQCWKMTHEC-DEOSSOPVSA-N 404.510 5.898 0 40 HKAB CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 106712078 BXRSVKYVDXPJGE-ZDLGFXPLSA-N 422.333 6.017 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@]5(C)CCC(=O)O5)[C@@]4(C)CC[C@@H]32)C1 118913412 ZSUHSKYVVTXINZ-LHEXKVJUSA-N 414.586 5.593 0 40 HKAB CC(C)[C@H](CC(=O)Nc1nnc(-c2ccccc2F)s1)c1c[nH]c2ccccc12 141586386 BJXQHWUCBGZXFS-INIZCTEOSA-N 408.502 5.594 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc3ccccc23)cc1Cl 216187371 VJDTUZOAXOMFRL-HXUWFJFHSA-N 411.885 5.466 0 40 HKAB CC(C)c1ccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 222597384 DDQLKWIJCFYCLA-HSZRJFAPSA-N 413.005 5.424 0 40 HKAB Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1Cl 222628098 SPTAOYFTQPVLJQ-JHVJFLLYSA-N 408.958 5.423 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCCN1CCCc2ccccc21 222734422 YNAWMWWYIHXLLA-UHFFFAOYSA-N 423.409 5.186 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)c1ccccc1 223028048 QFPUQOYLXXAMLB-JOCHJYFZSA-N 407.897 5.676 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)CCCSc2ccc(Cl)cc2)cc1C(C)C 223369507 JQEQPMLPVIJCNZ-KRWDZBQOSA-N 420.018 6.530 0 40 HKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1 224363639 OLJZGFIWURADEI-PKTZIBPZSA-N 418.610 5.939 0 40 HKAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C1(c2ccccc2)CCOCC1 225281261 NZUBGGGICLRJPK-UHFFFAOYSA-N 419.908 5.258 0 40 HKAB C[C@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N1CCC(Cc2ccccc2)CC1 225437263 GUOYQCDFFXWKDC-INIZCTEOSA-N 424.928 5.143 0 40 HKAB biogenic,in-vitro C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225793711 NUUYZOLIWUAKRL-CYBMUJFWSA-N 413.930 5.143 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)c1 225864497 LRUZKEQNSGYMDK-UHFFFAOYSA-N 424.610 5.712 0 40 HKAB O=C(c1ccccc1-c1ccccc1)N1CCOC[C@@H](Cc2cccc3cccnc23)C1 257228650 FURYIZXFSDHHMZ-NRFANRHFSA-N 422.528 5.233 0 40 HKAB COc1cc(OC)cc(C(=O)Oc2ccc(-c3ccc(-c4ccccc4)cc3)nn2)c1 408531926 MVKQUVVNZISWLN-UHFFFAOYSA-N 412.445 5.047 0 40 HKAB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccc(F)cc1 408560624 DQRIDIPXLSJYEF-QOCHGBHMSA-N 419.319 5.188 0 40 HKAB CCCOc1ccccc1/C=C1\SC(=O)N(Cc2c(F)cccc2Cl)C1=O 408599514 IGQFSEMRUUCYFI-WQRHYEAKSA-N 405.878 5.504 0 40 HKAB CCc1ccc(C(=O)Nc2cc(-c3nc4cc(CC)ccc4o3)ccc2Cl)cc1 408627231 LLMOKLWHMFALOI-UHFFFAOYSA-N 404.897 6.525 0 40 HKAB COc1ccc(Cl)cc1/C=C(\Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)O 408632987 INGHCDKDWUTFDN-DHDCSXOGSA-N 422.293 5.005 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1Cl 409111799 CSBCYBZSALLOAG-UHFFFAOYSA-N 424.730 7.285 0 40 HKAB CCCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(OCC)cc1 409112467 CYSVXXFGEFAXQT-UHFFFAOYSA-N 402.585 5.609 0 40 HKAB Cc1ccc(COc2ccc(CNc3ccc(Br)cc3)cc2Cl)cc1 409206753 XDOYQIFESDSZND-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB O=C(O)c1ccc2c(c1)Cc1cccc(c1)CN(CC1CCCC1)CCCCCO2 643582970 AVXGOODJLBPLIB-UHFFFAOYSA-N 407.554 5.531 0 40 HKAB CC(=O)N1CCCCCCCCN(C(=O)c2ccccc2Cl)Cc2ccccc21 2037885043 SOCQHAOMELLELS-UHFFFAOYSA-N 412.961 5.690 0 40 HKAB CC1(C)C[C@@H]2CN(Cc3ccc(C(F)(F)F)nc3)CC[C@@H]2N1c1cccc(F)c1 2037989213 ZPHZBNSQBDIFAE-APWZRJJASA-N 407.455 5.119 0 40 HKAB Cc1ccc2nc(Nc3ccc(C(=O)N4CCCC4)cc3)nc(-c3ccccc3)c2c1 867583 MYRFLMKTKVWRLA-UHFFFAOYSA-N 408.505 5.585 0 40 HKAB Cc1ccc(-c2csc(N(C[C@@H]3CCCO3)C(=O)c3ccccc3Cl)n2)cc1 932702 DCPXIEBJGUSVGJ-KRWDZBQOSA-N 412.942 5.598 0 40 HKAB CC[C@H](C)OC(=O)c1cc(C)nc2c(Br)cc(Br)cc12 975458 HXQLKNNSEUBGDS-VIFPVBQESA-N 401.098 5.024 0 40 HKAB COC(=O)c1ccc(-c2nc(OCc3ccc(Cl)c(Cl)c3)c(C)s2)cc1 1385770 DINWXOUHAKVCBH-UHFFFAOYSA-N 408.306 5.791 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cccn(Cc2ccc(Cl)cc2)c1=O 1391184 ITYLKAHBTKPBKX-UHFFFAOYSA-N 422.699 5.501 0 40 HKAB COc1ccc(-n2c(SC(C)C)nc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 1812127 CWLAWHOFRCZCHU-ZDUSSCGKSA-N 400.569 5.081 0 40 HKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 2069070 SJQUEMVDIWFXQR-GZTJUZNOSA-N 417.770 5.963 0 40 HKAB Cc1ccc(COc2ccc3c(-c4cc5ccccc5oc4=O)cc(=O)oc3c2)cc1 2159245 UNOKWIQUDILFOQ-UHFFFAOYSA-N 410.425 5.454 0 40 HKAB biogenic O=C(O)c1cccc(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)c1 2472928 XTYZAFJGFIELSU-LDADJPATSA-N 413.520 5.179 0 40 HKAB Cc1cc2nc(-c3ccc(Cl)nc3)n(Cc3ccc(Cl)c(Cl)c3)c2cc1C 3134506 YZDABXSDLUGRDI-UHFFFAOYSA-N 416.739 6.724 0 40 HKAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c1Cl 3238932 DLJIVSRYLWNPSI-UHFFFAOYSA-N 407.080 5.404 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)NC1CCCCCC1 3280584 VXGWXENNTYRYNU-UHFFFAOYSA-N 424.545 5.005 0 40 HKAB CCCCCOc1ccc(C(=O)Nc2nc(-c3ccc(CCC)cc3)c(C)s2)cc1 3354213 AAIQTJFTHKVJBW-UHFFFAOYSA-N 422.594 6.892 0 40 HKAB CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2c(F)cccc2Cl)o1 4295593 LTTQXWUYJOIKRW-AWEZNQCLSA-N 413.902 5.226 0 40 HKAB Fc1ccc(C2=NN(c3ccc(Br)cc3)[C@H](c3cccs3)C2)cc1 4357036 QNJIPZAEDKVUMA-SFHVURJKSA-N 401.304 6.005 0 40 HKAB CCCCOP(=O)(CCP(=O)(OCCCC)OCCCC)OCCCC 4403943 JBXXIXHWXNNCOS-UHFFFAOYSA-N 414.460 6.639 0 40 HKAB O=C(NCCC(c1ccccc1)c1ccccc1)C1(c2cccs2)CCOCC1 4478964 YKEBRHUWEFMLHO-UHFFFAOYSA-N 405.563 5.135 0 40 HKAB CCCCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@H]1c1ccc(Cl)cc1 4816795 HWUYGBPNMSIGKG-SFTDATJTSA-N 424.932 5.198 0 40 HKAB O=C(COc1cccc2ccccc12)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 4844278 CQWKAFVKTBFKSI-UHFFFAOYSA-N 418.562 5.782 0 40 HKAB COc1cccc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)c1 4848624 QKEVAXQWLSDZKP-UHFFFAOYSA-N 414.530 5.565 0 40 HKAB aggregator COc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(C(C)(C)C)cc1)O2 4850959 BGVVYWWQBQMVOY-AZGAKELHSA-N 412.533 6.235 0 40 HKAB Cc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4cc5c(cc4c32)OCCO5)cc1 4970124 CZZGKHLLENZZGP-UHFFFAOYSA-N 411.436 5.459 0 40 HKAB Cc1cc2oc(=O)cc(CSc3nnc(-c4ccc(C(C)(C)C)cc4)o3)c2cc1C 5219887 OTHQQFFKHVUMCE-UHFFFAOYSA-N 420.534 6.050 0 40 HKAB CC[C@H](C)c1ccc(Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)cc1 5235266 ZAHOMKNLKRWEGI-SFHVURJKSA-N 404.941 6.831 0 40 HKAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 5827835 HHCUODSRPCZXCJ-XHSDSOJGSA-N 405.567 5.935 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 6155073 LUOQIDSUXGMQDP-UHFFFAOYSA-N 405.519 5.716 0 40 HKAB Cc1c([C@H]2c3ccccc3C(=O)N2CCc2ccc(Cl)cc2)c2ccccc2n1C 6235718 XAMUCMFXFUELSO-RUZDIDTESA-N 414.936 5.928 0 40 HKAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2cccs2)nc2ccccc12 6510847 WGXSHSQBZUYAPC-HNNXBMFYSA-N 417.559 5.428 0 40 HKAB COc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccccc2)cc1 6564974 UKYLFKPVAMOPKN-UHFFFAOYSA-N 413.506 5.112 0 40 HKAB Cc1cc([C@H]2S[C@H](C)C(=O)N2Cc2ccc(Cl)cc2)cc(C)c1OC(F)F 6602828 AZLNTSNBMWICEP-BFUOFWGJSA-N 411.901 5.721 0 40 HKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(C(C)(C)C)cc2)cc1 6630399 LXLFWXMJGZTVEE-UHFFFAOYSA-N 416.521 5.403 0 40 HKAB COc1cc(CNCCc2ccccc2)ccc1OC[C@H](O)c1cc(C)c(C)cc1C 6650908 ZKJWZZLVBRITKR-VWLOTQADSA-N 419.565 5.065 0 40 HKAB Cc1c(CCC(=O)Nc2ccccn2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 6719343 RJZVHGYMLCLSHV-UHFFFAOYSA-N 416.477 5.001 0 40 HKAB O=c1cc(COc2ccc(Cl)cc2Cl)nc2scc(-c3ccccc3)n12 6738856 QNNATCSVCJVBFD-UHFFFAOYSA-N 403.290 5.309 0 40 HKAB CCCC[C@H](CC)COC[C@H](CN(C)C)OC[C@H](C)COC[C@@H](CC)CCCC 6778717 OXQSXJOQFXUCQG-ROHNOIKCSA-N 415.703 6.035 0 40 HKAB c1ccc(-c2ccc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)cc2)cc1 7089181 SFYWFTKSVQNAMF-NRFANRHFSA-N 402.475 5.541 0 40 HKAB COc1ccc(-c2nnc(SC[C@@H]3CCCCO3)n2C2CCCCC2)cc1OC 7987458 UNRNXWQGQYWNHC-SFHVURJKSA-N 417.575 5.129 0 40 HKAB COC(=O)c1c(-c2cccs2)csc1NC(=O)CCc1ccc(Cl)cc1 8844219 YTPPSYDMBYPORF-UHFFFAOYSA-N 405.928 5.488 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)c(C)c1 8961280 IYHXZUBCKUANNL-UHFFFAOYSA-N 422.506 5.079 0 40 HKAB Cc1nc(-c2ccc(CCNC(=O)C(c3ccccc3)c3ccccc3)s2)cs1 9112139 AXLBTYFZJFBGLC-UHFFFAOYSA-N 418.587 5.671 0 40 HKAB COc1cccc(N/C=C2/C(=O)N(c3ccc(F)cc3Cl)C(=O)c3ccccc32)c1 9233389 FOMJNJXPTJCEFV-CPNJWEJPSA-N 422.843 5.128 0 40 HKAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1O 9295677 ZXLPRDLSBGQSFG-SXGWCWSVSA-N 424.305 5.334 0 40 HKAB COc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccccc4)oc3c2)cc1OC 9420242 NCPANSXDXKWHMC-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB Cc1cc(Br)ccc1NC(=O)c1cc(-c2ccco2)nc2onc(C)c12 12747854 CFXRJVDMIRVHRA-UHFFFAOYSA-N 412.243 5.114 0 40 HKAB CC(C)c1ccc(Nc2nn(CN(C)Cc3cccc(Cl)c3)c(=S)s2)cc1 13072087 OCEXZVJKDUVAKG-UHFFFAOYSA-N 419.019 6.284 0 40 HKAB Cc1nc(-c2cccc(NC(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)c2)cs1 13165351 GHNWOVHOTXVYCN-UHFFFAOYSA-N 419.554 5.820 0 40 HKAB COCCCNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c(C)cc(C)cc12 13907903 DMBXPDJRJIAHET-UHFFFAOYSA-N 417.336 5.592 0 40 HKAB COc1ccc2cc([C@H](C)C(=O)Nc3cccc(Cl)c3N3CCOCC3)ccc2c1 14126673 FNUOCVIRSQPSPM-INIZCTEOSA-N 424.928 5.081 0 40 HKAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2c(C)cc(C)cc2C)o1 15881438 PPFJDOPKHLNZEL-UHFFFAOYSA-N 402.498 5.208 0 40 HKAB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2ccccc2)cc1 16493093 MPRMTWBGYHMGAW-UHFFFAOYSA-N 423.950 5.744 0 40 HKAB Fc1cccc(Cl)c1CSc1nnc(-c2ccncc2)n1Cc1ccco1 16756268 VHXPHTAYKOMOBK-UHFFFAOYSA-N 400.866 5.066 0 40 HKAB Cc1cc(OCC(=O)Nc2nc(-c3cccc4ccccc34)cs2)ccc1Cl 17088140 KSVWENRIZWLOMC-UHFFFAOYSA-N 408.910 5.943 0 40 HKAB COc1ccc(CN(Cc2ccncc2)Cc2c(C)oc3ccccc23)c(OC)c1 19581943 WCLNCNAPYUJXSV-UHFFFAOYSA-N 402.494 5.356 0 40 HKAB Cc1cc(C)c2nc(C)c(C(=O)Nc3c(C)nn(Cc4ccc(F)cc4)c3C)cc2c1 19714844 FJBHTNUKPWYHFI-UHFFFAOYSA-N 416.500 5.413 0 40 HKAB Clc1ccc(-c2nnc(CSc3nnc(Cc4ccccc4)o3)o2)c(Cl)c1 19929043 UNYMJHVXFUWITH-UHFFFAOYSA-N 419.293 5.310 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 20456524 MZZRPWLGXKOBLS-QFIPXVFZSA-N 407.510 5.109 0 40 HKAB Cc1ccccc1[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccccc1 20487276 MITWHZVPIJQAIS-MHZLTWQESA-N 412.577 5.746 0 40 HKAB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c(Cl)c4)cc3n2)cc1 20610227 OAYLRFHTQNVFJM-UHFFFAOYSA-N 406.873 5.033 0 40 HKAB COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c(OC)c1 21595649 OZXVCVQBQLEJNX-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB Cc1noc(C)c1CC(=O)OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 24592155 ZHYUQCBPQYDOKJ-UHFFFAOYSA-N 421.884 5.083 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@@H](C)c1ccc(Cl)c(Cl)c1 24747179 AZUBLMTXXPQOKG-ZDUSSCGKSA-N 417.340 5.085 0 40 HKAB CCN(C(=O)COc1ccc(F)cc1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27991238 SBYPVAHQXLEHBZ-SANMLTNESA-N 416.496 5.632 0 40 HKAB CC(C)c1noc([C@@H](C)Sc2nc3sc(-c4ccccc4)cc3c(=O)n2C)n1 31697125 IQXQETWYKKZPFJ-GFCCVEGCSA-N 412.540 5.022 0 40 HKAB COc1ccc(-c2noc(-c3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)n2)cc1 32623850 BXXVHKOPVWGMDJ-UHFFFAOYSA-N 419.868 5.247 0 40 HKAB O=C(CSc1nc(C(F)(F)F)nc2ccccc12)c1ccc(Cl)cc1Cl 32724377 BVMVTZDFAWERFY-UHFFFAOYSA-N 417.239 5.930 0 40 HKAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1cccc(Cl)c1Cl 32818803 FNTDPAVGBXXFFG-SFHVURJKSA-N 400.309 5.046 0 40 HKAB CCOc1cc(C(=S)N2CCCC2)cc(Br)c1OCc1ccccc1 33750731 HSZXPJIJHYRHEK-UHFFFAOYSA-N 420.372 5.198 0 40 HKAB O=C(OCc1ccccc1)c1cc(O)c2c(c1)OC(c1ccccc1)(c1ccccc1)O2 44136349 FFMYRWYMARPJCC-UHFFFAOYSA-N 424.452 5.422 0 40 HKAB in-vitro COc1ccc(CNC(=O)c2scc(-c3ccccc3)c2-n2cccc2)c(OC)c1 44166425 DCCGEKTZOOXEHE-UHFFFAOYSA-N 418.518 5.153 0 40 HKAB COc1ccc(OC)c(NC(=O)[C@H](C)N[C@H](C)c2ccc(-c3ccccc3)cc2)c1 58159647 REVHXXAHXSLHJT-MSOLQXFVSA-N 404.510 5.049 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 65552464 HJEZMHVMOYZYES-PMACEKPBSA-N 415.622 5.287 0 40 HKAB COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)n1 72350358 VHXVWXLLGMXIPV-JOCHJYFZSA-N 414.549 5.486 0 40 HKAB CC(C)(C)c1ccc(OCc2nc3ccccc3n2C[C@@H]2CC2(Cl)Cl)cc1 82086785 NBIFWXHVYFRWHY-INIZCTEOSA-N 403.353 6.107 0 40 HKAB Cc1c(Br)ccc(N2C(=O)[C@H]3C[C@@H](c4ccccc4)CC[C@H]3C2=O)c1C 102518066 PSNSRACEUKDZNJ-KSZLIROESA-N 412.327 5.139 0 40 HKAB CC(=O)c1ccc(N(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c2nc3ccccc3s2)cc1 104009032 SLVVOLKUZRXVPH-YTQUADARSA-N 404.535 5.990 0 40 HKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 107039651 JIUKNGAGBBESPK-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1c(F)cccc1Cl 215370137 WDQIIVBHQBXZQG-GIDUJCDVSA-N 416.688 6.022 0 40 HKAB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(CN3CCC[C@@H](C)C3)cc1)CC(C)(C)O2 219238396 QQZHQQHBXOESPU-AUSIDOKSSA-N 406.570 5.259 0 40 HKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 222953838 YCLPKQSSXIVNJN-JOCHJYFZSA-N 408.542 5.162 0 40 HKAB COc1ccc(/C=C(/C(=O)Nc2ccc(Cc3ccncc3)cc2)c2ccccc2)cc1 223428483 XQLUDVXGDASQRB-NHFJDJAPSA-N 420.512 5.860 0 40 HKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CC)c2C)cc1 223793532 MCLCLLHASUDQDO-XZOQPEGZSA-N 420.582 5.096 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2ccccc2Cl)c1 224133103 BEBDTPYKBOTUDQ-UHFFFAOYSA-N 409.913 6.051 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1cccc(Cl)c1 224153449 NVRCOUXYPAPPKB-OAHLLOKOSA-N 413.876 5.558 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccccc1C(C)C 224226950 SYIAUHUTPGSWOD-LJQANCHMSA-N 403.522 5.889 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccc(Cl)cc1 224497925 SWHMQJCGWNONDV-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCN(Cc2ccccc2Cl)CC1 224533322 ZQOMHTWSMFABCC-UHFFFAOYSA-N 419.956 5.177 0 40 HKAB O=C(NCc1cccc(CN2CCCC2)c1)c1ccccc1SCc1ccccc1 224612914 SMYVWXUCSTWYPY-UHFFFAOYSA-N 416.590 5.505 0 40 HKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)ccc1F 224892799 NKBRBGPPHZONFC-DHIUTWEWSA-N 420.557 5.459 0 40 HKAB Cc1cccc([C@H](NC(=S)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)c1 225699692 NISRCVGDPOYTBA-HXUWFJFHSA-N 400.469 6.090 0 40 HKAB Cc1cccc(CCC2(NC(=S)Nc3ccc(C(F)(F)F)cc3)CCCC2)c1 225859595 XWLCBTDIROPTAU-UHFFFAOYSA-N 406.517 6.246 0 40 HKAB CCOC(=O)c1cccc(NC(=S)NC2(c3ccc(OCC)cc3)CCCC2)c1 225863265 IWIFTHPIQGGYLM-UHFFFAOYSA-N 412.555 5.018 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C 253504557 HKHHYUSFWJROEJ-FKAJXBDFSA-N 404.679 6.584 0 40 HKAB biogenic,in-vitro CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 256449040 OQMZNAMGEHIHNN-QDVGYYBISA-N 410.686 7.721 0 40 HKAB Fc1ccccc1CN1CCC[C@@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 257337755 YUFGHBNCTTUHSN-HSZRJFAPSA-N 414.446 6.167 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1OCC 408620851 MNGSYNZTQZCVKL-UHFFFAOYSA-N 419.521 6.617 0 40 HKAB Cc1cccc(OCC(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)c1C 408624147 BGFOILKDBATDNW-UHFFFAOYSA-N 405.885 5.518 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2cccc(Cl)c2)c(C)c1 408694047 HQSAWGCWDFMLHG-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2cccc(Cl)c2)cc1C 408699640 VJCPTIQZVJHGSV-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 408729282 YVYQDQHPCLZWIW-URFUVCHWSA-N 413.904 5.085 0 40 HKAB COc1ccc(CCCC(=O)Nc2ccc(Br)cc2C(C)C)cc1C 408915946 SGXANUJXUIAKSH-UHFFFAOYSA-N 404.348 5.851 0 40 HKAB O=C1N/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1c1ccccc1 409014380 PHCOELXHKOKBFQ-XSFVSMFZSA-N 404.853 5.016 0 40 HKAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2cccc3ccccc23)c1 409093739 BJRYKARZJPNELO-UHFFFAOYSA-N 421.569 6.612 0 40 HKAB Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(F)cc2)cc1 409103457 HCHRPZHGOAKFAJ-UHFFFAOYSA-N 409.917 6.328 0 40 HKAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409171650 BYQKCJKSFHSSCU-LUNNFQGRSA-N 412.577 5.902 0 40 HKAB O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1c1ccc(Cl)cc1 409191824 ODGSWELIGAESDG-XSFVSMFZSA-N 407.878 6.373 0 40 HKAB Cc1ccc(CN2C(=O)CC[C@@]23CCCN(Cc2ccc(C(C)C)cc2)CC3)cc1 585100020 CKSKXLCMPDZMRE-HHHXNRCGSA-N 404.598 5.666 0 40 HKAB C[C@@]1(c2ccc(F)cc2)NC(=O)N([C@@H](CCCc2ccccc2)c2ccccc2)C1=O 1615055990 YHZZBQBBEZNUDA-OZXSUGGESA-N 416.496 5.357 0 40 HKAB COc1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)cc1 677430 LVKZEBHXGWGKOF-UHFFFAOYSA-N 422.868 5.483 0 40 HKAB Cc1ccccc1NC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@H](C)C3 1377276 TUGOIKIJVSEEGR-ZDUSSCGKSA-N 423.607 5.733 0 40 HKAB CCOc1ccccc1Oc1coc2cc(OC(=O)c3cccs3)ccc2c1=O 1448095 QZTZWMFWLLPUMG-UHFFFAOYSA-N 408.431 5.265 0 40 HKAB biogenic COc1ccc([C@@H](Nc2ccccc2)P(=O)(OC(C)C)OC(C)C)cc1OC 1825956 RUGMUYVXEDGAEU-NRFANRHFSA-N 407.447 5.858 0 40 HKAB COC(=O)c1ccc(COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)cc1 1915127 MIBGNZNOBIZRDK-UHFFFAOYSA-N 420.848 5.479 0 40 HKAB biogenic CCOc1cccc(C(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OC)c1 2088392 UDRXYYBBAATDLD-UHFFFAOYSA-N 415.898 5.506 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)Cc3ccc(Cl)c(Cl)c3)n2)c1 2660457 WMNSIFOZEVXQCG-UHFFFAOYSA-N 423.321 5.315 0 40 HKAB CCOC(=O)c1sc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)nc1C 2760162 CFDWLJBDPSHDGN-SFHVURJKSA-N 412.536 5.100 0 40 HKAB CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)Nc1ccc(C)cc1 2760818 ZWJDMQGYEKDHML-UHFFFAOYSA-N 424.522 5.943 0 40 HKAB COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)CC(C)(C)C 2889803 PDBIQVYKQYNMJS-UHFFFAOYSA-N 410.333 5.339 0 40 HKAB Cc1ccc([C@H](NC(=O)N[C@@H](C)c2ccccc2)C(Cl)(Cl)Cl)cc1F 3174704 LKGCVUIDLOLTOM-LRDDRELGSA-N 403.712 5.606 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(F)cc2)nc2ccccc12 3187678 VBRVIBWRVXSDNG-UHFFFAOYSA-N 410.370 6.312 0 40 HKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1cccnc1Cl 3257725 ZSPHXOKQZODUFB-UHFFFAOYSA-N 421.305 5.546 0 40 HKAB CC(=O)c1sc(NC(=O)c2ccccc2Oc2ccccc2)nc1-c1ccccc1 4070035 WRJIEZUWQPZKIK-UHFFFAOYSA-N 414.486 6.057 0 40 HKAB O=C1c2ccccc2[C@H]2c3[nH]c4ccccc4c3[C@H](c3c(F)cccc3Cl)CN12 4085147 QEWBYTGHNMAEMD-MWTRTKDXSA-N 402.856 5.651 0 40 HKAB biogenic Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12 4130046 ZVXIFGXMFKCKIS-UHFFFAOYSA-N 417.509 5.784 0 40 HKAB CCOc1ccc2nc(-c3ccccc3)nc(SCc3ccccc3Cl)c2c1 4130248 SQOVOFFXDMICCU-UHFFFAOYSA-N 406.938 6.641 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1 4173554 PVPAMIWDPWNPOC-UHFFFAOYSA-N 412.511 5.259 0 40 HKAB O=C(Oc1ccc(Sc2ccc(O)cc2)cc1)c1ccc(Br)cc1 4666521 QUDXFPMVOIXEHH-UHFFFAOYSA-N 401.281 5.525 0 40 HKAB COc1ccccc1[C@H]1c2c(c3ccccc3oc2=O)Nc2ccc3ccccc3c21 4748037 VJIGWNNDPMXBDL-XMMPIXPASA-N 405.453 6.192 0 40 HKAB C[C@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 4784273 KTBPSSMXVPVMPV-GDJIYFAZSA-N 421.496 5.093 0 40 HKAB COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)cc1 4866094 BRFPMBLDQMFXEB-JOCHJYFZSA-N 407.311 5.813 0 40 HKAB Cc1cccc(-c2n[nH]c(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)c1 4902559 FKKHEAVLIVRBOM-UHFFFAOYSA-N 416.506 5.303 0 40 HKAB O=C(CSc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3)c1ccccc1 4909383 VIWHIWGVPALXRR-UHFFFAOYSA-N 416.571 6.212 0 40 HKAB Cc1ccccc1C(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 4995954 PHXNFDSVWKYSOI-IBGZPJMESA-N 409.283 5.342 0 40 HKAB CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1ccc(OCc2ccccc2)cc1 5477760 ZEMVAPDHSLHVOZ-AHSQRVJLSA-N 424.544 5.293 0 40 HKAB CC(C)N(C(=S)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)C(C)C 6049655 RKZGVUFRBDIEAN-UHFFFAOYSA-N 418.570 5.436 0 40 HKAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1ccc2ccccc2c1 6080289 WOMSIGVGXQDJSO-UHFFFAOYSA-N 409.942 5.220 0 40 HKAB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1cccc(Br)c1 6335355 XOPAYGKCSUMCCT-UHFFFAOYSA-N 404.691 5.577 0 40 HKAB C/C(=C\c1ccccc1)[C@@H]1C(=O)N(c2c(C)cccc2C)CC(=O)N1c1ccc(C)cc1 6624099 UWNGXVXHVFDYTQ-DHCKTRPCSA-N 424.544 5.464 0 40 HKAB biogenic CC(=O)Nc1ccc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 6905556 HERUDCOBKMRVEJ-UHFFFAOYSA-N 418.537 5.130 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 6962720 DEJIPKZMAJLOOY-UHFFFAOYSA-N 408.910 6.268 0 40 HKAB CCOc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCc1ccccc1Cl 7520655 PDBVXWAGLQBWHA-UHFFFAOYSA-N 403.994 6.622 0 40 HKAB COc1ccc2oc(C(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)c(C)c2c1 7684883 GNDGYBOIIJBLLC-OAHLLOKOSA-N 406.507 5.379 0 40 HKAB CCSc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 8041785 ANGZMRGKYGDHFO-UHFFFAOYSA-N 416.590 5.346 0 40 HKAB Cc1ccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2cccc(Cl)c2C)cc1 8476656 INHOXZCOPUETBV-UHFFFAOYSA-N 408.933 5.267 0 40 HKAB Cc1cc(C(F)(F)F)c2c(-c3ccc(Cl)cc3)nn(-c3ccc(Cl)cc3)c2n1 9592589 MGLJWFUVZAWXMZ-UHFFFAOYSA-N 422.237 6.722 0 40 HKAB Cn1c(SCc2nc(-c3ccccc3Cl)no2)nnc1-c1ccc(Cl)cc1 9645849 AETMRACUWRAKPU-UHFFFAOYSA-N 418.309 5.131 0 40 HKAB COc1ccc(CCNC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)cc1 11866129 WUWOUPWYPFRWDN-UHFFFAOYSA-N 421.349 5.027 0 40 HKAB biogenic COc1ccc2nc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)sc2c1 12285085 RFBQAXUUGFKKPP-UHFFFAOYSA-N 419.289 6.124 0 40 HKAB C[C@H](SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1cc(F)ccc1F 12929871 QJAZAJZZHBIESQ-NSHDSACASA-N 408.857 5.534 0 40 HKAB c1ccc([C@@H]2C3=C(c4ccccc4CC3)N3c4ccccc4O[C@@]34CCCC[C@@H]24)cc1 13510656 SZOCNTHWLVFMCN-WIDNXDAUSA-N 405.541 6.927 0 40 HKAB CCCOc1ccc([C@H]2C(C(=O)OCC)=C(CCC)Nc3nc4ccccc4n32)cc1 13634744 CQSFKRNVXGKSDM-QHCPKHFHSA-N 419.525 5.457 0 40 HKAB CCOc1ccc(Oc2ccccc2NC(=O)c2cc(C)nc3c2c(C)nn3C)cc1 14899762 DOHSPUCJPDRISM-UHFFFAOYSA-N 416.481 5.028 0 40 HKAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1nnc(SCc2ccccc2)o1 15974788 ZYOJAPHMMVSHNW-GOSISDBHSA-N 411.527 5.170 0 40 HKAB CC(C)(C)CC(=O)N[C@H](C[C@@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1 19082758 KTUJFLCRFLYJLH-JTHBVZDNSA-N 411.565 5.259 0 40 HKAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(C2SCCCS2)cc1 23739400 DMKFZTUMLNAPKB-NRFANRHFSA-N 412.624 5.122 0 40 HKAB CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1ccc(OC(F)F)cc1 25045875 RJIGNRJEWOGMPB-UHFFFAOYSA-N 407.467 5.089 0 40 HKAB CCC1=Nc2sc3c(c2[C@@H](SCC(=O)c2ccccc2)N1)CC(C)(C)OC3 26802832 AEIFTZWDNNSWBW-LJQANCHMSA-N 400.569 5.257 0 40 HKAB Cc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2ccc(C)c(C)c2)cc1 27795425 DLXYOOZFIQSVAA-MHZLTWQESA-N 412.533 5.720 0 40 HKAB CSc1ccc(Cl)c(C(=O)Nc2c(C)nn(Cc3cccc(Cl)c3)c2C)c1 28230078 LYNNFMRYZAGPMM-UHFFFAOYSA-N 420.365 5.829 0 40 HKAB CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)ccc1Cl 30853812 JVYHAXWVPWQABJ-OAQYLSRUSA-N 411.885 5.466 0 40 HKAB Brc1ccc([C@@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 31716548 IRGYIDPXYHPMEG-DNQXCXABSA-N 416.318 6.373 0 40 HKAB COc1cccc(-c2ccc(SCc3nc(-c4ccc(Cl)cc4)no3)nn2)c1 33262476 GWFKQJXEWPTVMB-UHFFFAOYSA-N 410.886 5.148 0 40 HKAB CC(C)C[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 34024962 IMTMMGXRAMGUDP-JHXDXHAQSA-N 424.544 5.135 0 40 HKAB CSCC[C@H](NC(=O)C1(c2cccc(F)c2)CCCC1)c1nc2ccccc2[nH]1 40157402 DGGYIZPIQCZHAL-FQEVSTJZSA-N 411.546 5.124 0 40 HKAB CC1=C[C@@H](CNC2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(Cl)cc2[nH]1 72321032 QMTNRNUKMQSYCV-WFXMLNOXSA-N 416.009 5.382 0 40 HKAB biogenic,in-vitro O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1 72375561 DWIJYWJZDBYXBZ-HXUWFJFHSA-N 417.538 5.059 0 40 HKAB O=C(c1cnc(N[C@H]2CCSc3c(F)cccc32)c(Cl)c1)N1CCCCC1 84445660 BUKYQSWAYRPYAL-KRWDZBQOSA-N 405.926 5.149 0 40 HKAB CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)Nc1cccc2[nH]ccc12 95478759 KSJZBNOUFCXYEY-MRXNPFEDSA-N 403.309 5.625 0 40 HKAB CCc1ccc2nc(NC(=O)C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)sc2c1 102070366 RQLCIMMKMSMQNN-RCRDTURJSA-N 419.388 5.531 0 40 HKAB C[C@H](CCC(=O)C[S@](C)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118925121 CIYRXHNULHWANP-IXDWFPMSSA-N 420.703 6.399 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)c3ccccc3n2)cc1 222629852 QYUCQISYCDTDBN-UHFFFAOYSA-N 422.406 6.182 0 40 HKAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COCc1ccccc1 224357470 CTFTVHFNDXZLSX-HXUWFJFHSA-N 403.522 5.163 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)NCc1ccccc1CN1CCCCC1 224849316 YQHZWGRAHBLRMQ-UHFFFAOYSA-N 417.018 5.515 0 40 HKAB CCOc1ccc(C(=O)NCCSCc2cccc3ccccc23)cc1OCC 225067371 RLWRAHDJXBLBSJ-UHFFFAOYSA-N 409.551 5.300 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)cc1Cl 225761831 DAKJCYKYQAQHNH-LJQANCHMSA-N 404.963 5.509 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(C)cc2C)cc1 225862423 FTADUUZJFRJTKM-IQJJTXKVSA-N 418.562 5.322 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2cccnc12 225863177 ZBBSODXQIVKNHC-UHFFFAOYSA-N 422.956 6.518 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)N1CC[C@H](Oc2cccc3cccnc23)C1 252533139 FYTOSCJOEQWZQJ-INIZCTEOSA-N 415.320 5.154 0 40 HKAB O[C@@H]1CCN(c2ccccc2F)C[C@H]1[C@H](Nc1ccccc1)c1ccc(F)c(F)c1 257300472 RUKXGWROKBZHDW-DQMJNTIXSA-N 412.455 5.145 0 40 HKAB Cc1cc(S(=O)(=O)Nc2c(C)cccc2C(C)C)ccc1NC(=O)c1ccccc1 408610857 USLFRDAUZZMATM-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB Cc1nnc(S/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C(=O)O)o1 408632475 QLCJPPYVBYYRGT-BKUYFWCQSA-N 418.474 5.328 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccccc2C)cc1 408726008 RIDOQLLYRGKCCG-UHFFFAOYSA-N 401.897 6.062 0 40 HKAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)S1 408811561 KKOUGNWDDNLSTK-UHFFFAOYSA-N 418.929 6.046 0 40 HKAB CC(C)N(C(=S)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(C)C 408981199 VFCHXFQTGPIMPW-UHFFFAOYSA-N 420.538 5.965 0 40 HKAB COc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(C)N32)ccc1C 408987271 FLLPTWDWPBQHOT-OAQYLSRUSA-N 405.523 5.237 0 40 HKAB CC[C@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)C1=O 409018705 YNFCGYYEBFLALQ-KOWBDXASSA-N 404.535 5.833 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NC1CCCCC1 409023022 FBMZPAJFFRDKSD-ACCUITESSA-N 417.336 5.708 0 40 HKAB CCc1ccccc1NCc1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 409121313 ZAWVCBRYPTVNHE-UHFFFAOYSA-N 404.312 6.886 0 40 HKAB Cc1cccc(-n2cccc2/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1C 409128101 DNMVHQHAZWZXFL-HAVVHWLPSA-N 416.546 5.763 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cccc(OCc2ccc(F)cc2)c1 409375371 JTLIIVRZCSFAIL-OAQYLSRUSA-N 424.497 5.173 0 40 HKAB COc1cc(C(=O)Nc2cccc(C)n2)ccc1OCc1c(Cl)cccc1Cl 719071 QDHBQNGTQHDWEH-UHFFFAOYSA-N 417.292 5.537 0 40 HKAB Cc1cccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c1C 919441 HTLWLZKOLJPTLT-YOEHRIQHSA-N 404.392 5.006 0 40 HKAB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(Cl)cc1 976822 QDNMXYGAODEQSV-UHFFFAOYSA-N 414.962 5.274 0 40 HKAB COc1ccc(NC(=O)C[C@@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1 1322586 KTMCXBDPKPKSCG-VWLOTQADSA-N 403.522 5.952 0 40 HKAB biogenic COC(=O)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 1453755 QFCPMCXYUSSNEN-SIKLNZKXSA-N 422.868 5.270 0 40 HKAB Cc1ccc(-n2c(-c3ccc(Br)cc3)nc(=S)c3c2CCCC3)cc1 1805488 RANFYGLYOZYPTH-UHFFFAOYSA-N 411.368 6.219 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)cc1 1850903 KPVSNFQXLCPBNF-JXMROGBWSA-N 422.308 5.611 0 40 HKAB CCOc1cc2c(cc1OCC)[C@H](c1ccccc1)N(c1ccc(Cl)cc1)C(=O)C2 2220508 WHZDSFYUZCXLKY-VWLOTQADSA-N 421.924 5.816 0 40 HKAB O=C(C[C@H](Sc1ccc(Cl)cc1Cl)c1ccccc1)c1ccc(Cl)cc1 2578604 ZSUZICJTDMJJID-NRFANRHFSA-N 421.776 7.753 0 40 HKAB O=C(CCCC(=O)Nc1cc(Cl)ccc1Cl)Nc1cc(Cl)ccc1Cl 2748677 LRCVRKQKUITGPH-UHFFFAOYSA-N 420.123 6.048 0 40 HKAB CCCOC(=O)c1c(NC(=O)c2c(-c3ccccc3)noc2C)sc2c1CCCC2 2753112 ILRRJGRQDKZFMM-UHFFFAOYSA-N 424.522 5.409 0 40 HKAB Cc1ccc(OCc2ccc(C(=O)N3c4ccc(F)cc4CC[C@H]3C)cc2)cc1C 2754385 OLIOSRYFTQBHKW-LJQANCHMSA-N 403.497 6.003 0 40 HKAB O=C(Nc1nc(-c2ccc(Sc3ccccc3)cc2)cs1)c1cccc(F)c1 3193765 HAMCPLPZPDUJKB-UHFFFAOYSA-N 406.507 6.353 0 40 HKAB O=C(Nc1ccc(Oc2ncnc3sc4c(c23)CCCC4)cc1)c1ccccc1F 3205632 JXJZBMCVIJYVJL-UHFFFAOYSA-N 419.481 5.754 0 40 HKAB O=C(OCCOc1ccccc1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3284428 SDACAKYFHPBOFY-UHFFFAOYSA-N 409.894 5.853 0 40 HKAB O=C1CSC2=NC3=C(CCCC3=C3SCCCS3)[C@@H](c3ccccc3)N12 3351247 MIMCESUVEPUWEP-GOSISDBHSA-N 400.594 5.192 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 3355616 JMKLJJJUYGNGOC-GOSISDBHSA-N 422.550 5.278 0 40 HKAB CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc([C@@H](C)CC)cc2)cc1 3667549 HWCRCADETHWXDQ-AFMDSPMNSA-N 414.549 6.760 0 40 HKAB CCCCCCSc1nnc2c(n1)O[C@H](c1sccc1C)Nc1ccccc1-2 3772533 RQNSFAJTXJYFHM-HXUWFJFHSA-N 412.584 6.084 0 40 HKAB C[C@@H]1C[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@@H]2C[C@H]1OC(=O)c1ccccc1 4083780 FODHMRRHZAVFBM-XOZDWGMWSA-N 408.582 6.070 0 40 HKAB biogenic CCc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 4109866 DHPBVAWZOGFSKX-UHFFFAOYSA-N 406.448 5.276 0 40 HKAB COc1cccc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1F 4222992 VPVLMVSHBDBJAZ-MBBDBFLNSA-N 423.572 6.108 0 40 HKAB c1ccc(C2=NN(c3ccc(CNC4CCCCC4)cc3)[C@@H](c3ccccc3)C2)cc1 4603384 WSWDIMKTFSCXAP-MUUNZHRXSA-N 409.577 6.465 0 40 HKAB CCc1ccc(OCC(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 4681382 IIRIAPQIDZQRLY-MUUNZHRXSA-N 413.561 6.149 0 40 HKAB S=C(Nc1ccc(Cl)cc1)N(CCc1nc2ccccc2[nH]1)Cc1ccccc1 4861853 WSWBUSGQXOFGLI-UHFFFAOYSA-N 420.969 5.658 0 40 HKAB C[C@H]1CCc2c(oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc23)C1 5579151 HXUDQWVZYOSTKK-NSHDSACASA-N 410.322 5.665 0 40 HKAB c1csc(-c2nnc(COc3ccc4ccccc4c3CN3CCCCC3)o2)c1 5938655 NXSCTBLEOWEYMM-UHFFFAOYSA-N 405.523 5.516 0 40 HKAB Cc1cc(Sc2cc(C)c(O)c(C3CCCCC3)c2)cc(C2CCCCC2)c1O 5960015 AEUFASRRKKHESO-UHFFFAOYSA-N 410.623 7.961 0 40 HKAB CC(C)OC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 6349323 UTZHMGGYFPEXAR-UHFFFAOYSA-N 409.555 5.276 0 40 HKAB CC(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccccc4Cl)nc3C2)cc1 6828842 NDKANXOTIASJBH-QGZVFWFLSA-N 419.912 5.418 0 40 HKAB Cc1ccc(COc2ccccc2/C=C2/N=C(c3ccc(C)c(Cl)c3)OC2=O)cc1 6841207 MZDIIEJAPFVEII-HYARGMPZSA-N 417.892 5.880 0 40 HKAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cc(Cl)ccc1Cl 6885818 WZLLRYBZFXYNBV-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB Cc1ccc(NC(=O)CSC2=NC3(CCCCC3)Nc3ccccc32)cc1Cl 6902036 DDXHKVCGFYHLEA-UHFFFAOYSA-N 413.974 5.853 0 40 HKAB C[C@@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H]1CCCc2ccccc21 7159282 OQDGBKNBONCJBG-KBMIEXCESA-N 413.517 5.022 0 40 HKAB O=C(C1CCC1)N(c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2s1 7979702 DAMBKOTZKPDSCP-UHFFFAOYSA-N 400.503 6.553 0 40 HKAB CCOc1cccc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c1OCc1ccccc1 8325483 ZGXWMDPUYCIHRU-PDGJQCAJSA-N 419.609 6.503 0 40 HKAB Brc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 9372528 UMLIFEXWYQKMIY-UHFFFAOYSA-N 423.339 5.384 0 40 HKAB O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccccc1C(F)(F)F 11667657 DVTOJLGSFOZWTO-UHFFFAOYSA-N 413.421 5.241 0 40 HKAB O=C(Cc1csc(-c2ccsc2)n1)N[C@@H](Cc1ccccc1)c1ccccc1 12752050 FUSIUOGDWBVJNQ-NRFANRHFSA-N 404.560 5.514 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 12790525 KCGDBBUHWZVHTK-DBZAVIBRSA-N 413.481 5.083 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(NCc2ccco2)s1 12795776 SHRAPQYZAXKVIO-ZIAGYGMSSA-N 416.572 5.376 0 40 HKAB O=C(CCSCc1ccccc1)NCCSCc1c(Cl)cccc1Cl 13688046 YLUPNVFWYONTQS-UHFFFAOYSA-N 414.423 5.666 0 40 HKAB Cc1cc(C)c(C2(C)CC(C(=O)c3cc4cc(Br)ccc4o3)C2)c(C)c1 15230124 WFXGKDNCGLATJE-UHFFFAOYSA-N 411.339 6.671 0 40 HKAB biogenic CC(=O)N(c1nc(COC(=O)c2occc2C)cs1)c1c(C)cc(C)cc1Cl 16416766 IBVWODSVWJGVKW-UHFFFAOYSA-N 418.902 5.356 0 40 HKAB O=C(COc1ccc2ccccc2c1)NCc1ccc(-c2nc3ccccc3o2)cc1 17087911 YCFUMVFIQFAPFQ-UHFFFAOYSA-N 408.457 5.343 0 40 HKAB COc1ccccc1-c1ccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cc1 19654911 MQNLVRFCMLUWOB-UHFFFAOYSA-N 405.469 5.188 0 40 HKAB O=C(CCCc1nc(-c2ccccc2Cl)no1)Nc1cccc(C(F)(F)F)c1 20445564 LWYMJMFSFPALGN-UHFFFAOYSA-N 409.795 5.370 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 20460679 UGSFMLWUGMCKSL-KRWDZBQOSA-N 411.954 6.347 0 40 HKAB Clc1ccc(COc2ccc(CNC3CCCCC3)cc2Br)cc1 20876406 JAYZJUXWUFBORB-UHFFFAOYSA-N 408.767 6.104 0 40 HKAB O=C(Nc1ccccc1Cl)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 27971903 VOVRGEWOAIAQSU-UHFFFAOYSA-N 403.869 5.492 0 40 HKAB CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCCCC2)cc1 28292437 PCRQNFGPZIKIIN-RUZDIDTESA-N 408.586 5.554 0 40 HKAB CC1CCN([C@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2ccccc2)CC1 28296184 SFZVWOPOLZLNES-JOCHJYFZSA-N 423.944 5.198 0 40 HKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 30754457 QMWCBJRHSJICLX-XMMPIXPASA-N 421.512 5.495 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(Oc2ccccc2)cc1 30757514 RECYDGLGDHFCTQ-UHFFFAOYSA-N 418.345 6.658 0 40 HKAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)COc3c(C)cccc3C)n2)cc1 32622906 YNTAKOUYTOZKHI-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB CC(C)C[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 34024964 IMTMMGXRAMGUDP-NXNJFABFSA-N 424.544 5.135 0 40 HKAB Cc1ccc(S(=O)(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1 35623056 RWCHWTKCCWAFRI-UHFFFAOYSA-N 412.458 5.188 0 40 HKAB CCCCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc(C)c(C(=O)OCC)s1 36612519 KQKDUJGGQXVGLY-UHFFFAOYSA-N 414.449 5.094 0 40 HKAB Cc1nn2c(nnc3c(=O)n([C@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40395993 JDADACFPPUPSLB-GLJUWKHASA-N 421.932 5.065 0 40 HKAB COc1ccc(C)cc1NC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 48332623 PCFPAMXARPNTNB-HSZRJFAPSA-N 411.954 6.118 0 40 HKAB CN(C(=O)c1cccs1)c1ccccc1C(=O)N[C@@H]1CCc2c(Cl)cccc21 56337188 CAFQTHCPFMCYNU-GOSISDBHSA-N 410.926 5.095 0 40 HKAB C[C@H](NC(=O)c1sccc1-c1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 58023220 YTHMMIHOUSIWHN-AWEZNQCLSA-N 408.498 5.394 0 40 HKAB CCN1c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2-c2ccccc2S1(=O)=O 65315070 XSJKKIJLDXKGSX-UHFFFAOYSA-N 420.534 5.060 0 40 HKAB Cc1ccc(CSc2nnc3c4cc(-c5ccc(C)c(C)c5)nn4ccn23)cc1C 67260618 WXVLEYNLTYWHRF-UHFFFAOYSA-N 413.550 5.570 0 40 HKAB CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3CC=CC(=O)O3)[C@H]21 67665382 BIYWBTKPNWCYHM-SCUBDHMLSA-N 400.559 5.391 0 40 HKAB in-vitro Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2NC2CCCCC2)cc1 72214056 CEKBGSIETQDSEB-JOCHJYFZSA-N 413.587 5.051 0 40 HKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 72215161 YLNOEWZPHUJGPW-OFNKIYASSA-N 423.601 6.349 0 40 HKAB O[C@H](c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(F)(F)F 96032718 IWFBCRPQDKFBPC-JOCHJYFZSA-N 408.423 5.319 0 40 HKAB COc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCC(C)C 106708077 MEOLSLWUGRFWJK-MTJSOVHGSA-N 411.523 5.275 0 40 HKAB C[C@@H]1[C@@H](CC[C@@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 118936384 MKUPQRXIRRPHDV-VNMQIAQHSA-N 418.662 5.428 0 40 HKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2Cl)C1=O 214064303 UIMDJGQUMDWLEE-ONDHQXCVSA-N 401.915 5.754 0 40 HKAB CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)N=C4SC[C@@H](CC)N43)o2)cc1 222712549 AZSODEDGHIIOEC-MQNAVGNWSA-N 419.550 5.720 0 40 HKAB CCOc1ccccc1CCCNC(=O)CSCc1ccc(Cl)cc1Cl 222724198 FVMVTOQZLFQKAG-UHFFFAOYSA-N 412.382 5.374 0 40 HKAB O=C(NCc1ccc2ccccc2c1)c1ccc(OCCSc2ccccc2)cc1 222793380 IVHJGQGYFOBYET-UHFFFAOYSA-N 413.542 5.941 0 40 HKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 222956039 ALCIYVYTAUCNFK-SFTDATJTSA-N 410.974 5.298 0 40 HKAB Fc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223108071 PVINMNAGFZMGNV-DHIUTWEWSA-N 420.557 5.317 0 40 HKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C(C)C 223380329 IJXLFLXSQVIMAQ-PKTZIBPZSA-N 404.583 5.254 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1Cc1ccccc1 223398980 YYKXLOWYOBDFQN-DNQXCXABSA-N 411.530 5.514 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccccc1C(C)(C)C 223732681 JJLBXRJBAUIYMW-JOCHJYFZSA-N 411.586 5.634 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccc(C(C)(C)C)cc1 224179440 OJOFECUHWKUAFK-UHFFFAOYSA-N 417.549 6.441 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 224198744 LEVSKZPKBZLCGZ-GOTSBHOMSA-N 402.567 5.484 0 40 HKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)c1 224549799 IFPLEDXPMWFTDT-XZOQPEGZSA-N 418.566 5.184 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)NCCSCc1cccc(Cl)c1 225346232 PWYBQEUZSIYGHI-UHFFFAOYSA-N 402.774 5.629 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(Br)cc2)cc1 225497457 YJXOEJCUPIFSCE-GOSISDBHSA-N 407.377 5.532 0 40 HKAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1Cl 225549657 KDWUEUWZJBMDFN-MRXNPFEDSA-N 419.924 5.733 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c2ccccc12 225759508 MRMGJIZTPSVVLR-OAQYLSRUSA-N 415.577 7.166 0 40 HKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(Br)c(Cl)c1)C(C)C 225761160 DQTJWGTXHSUQAG-QGZVFWFLSA-N 411.796 6.095 0 40 HKAB COc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)cc1OC 225767583 ANBUEDMMAFNMDL-HSZRJFAPSA-N 406.551 5.397 0 40 HKAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccccc1Sc1ccccc1 225797950 JFAXPBLUWCDPSJ-UHFFFAOYSA-N 419.481 5.598 0 40 HKAB Clc1ccc(-c2ccc(CNc3cccc(Cl)c3N3CCOCC3)o2)cc1 226240274 PMOLOGDUHIMUSA-UHFFFAOYSA-N 403.309 5.702 0 40 HKAB CC1CCN(c2ccc(N)cc2C(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1 226324558 KBXCCBMPDWKKTE-UHFFFAOYSA-N 412.748 5.718 0 40 HKAB O=C(c1ccccc1-c1ccccc1)N1CCOC[C@H](Cc2cnc3ccccc3c2)C1 257293475 QPOPTNUTQRLBJU-JOCHJYFZSA-N 422.528 5.233 0 40 HKAB COc1ccccc1Oc1ccc(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 408619609 KDASTBAVSALCPN-UHFFFAOYSA-N 422.839 6.771 0 40 HKAB CCOc1ccc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)c2ccccc12 408816325 TYPPTZRQHNRURL-UHFFFAOYSA-N 419.526 5.319 0 40 HKAB Cc1c(Cl)cccc1NCc1ccc(OCc2cccc(Cl)c2)c(Cl)c1 409117317 ODLGLKVIURAISK-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1ccc(NC(=O)c2c(NC(=O)c3cccnc3)sc3c2CCCC3)cc1C 409117755 OYAGKVNOCHGFOS-UHFFFAOYSA-N 405.523 5.143 0 40 HKAB COc1cc(CNc2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 409195932 SUZPTRVMZNDLND-UHFFFAOYSA-N 416.290 5.788 0 40 HKAB COCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 409235695 PUBBUZVGZZOWGT-YBEGLDIGSA-N 412.294 5.326 0 40 HKAB COc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1 409248914 HWLXHIYDULINNS-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB CC1CCC([C@@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)CC1 685945057 RFXOHMFUAMVCOF-CTWPCTMYSA-N 421.537 5.442 0 40 HKAB COc1ccc(C(=O)C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)cc1 684730 WBAWIHWZGDXMQN-UHFFFAOYSA-N 408.501 6.289 0 40 HKAB COc1cc(C(=S)N2CCC(C)CC2)ccc1OC(=O)c1cccc2ccccc12 708259 SEPVRXZFRRZEIF-UHFFFAOYSA-N 419.546 5.475 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc2nn(-c3ccc(C)cc3)nc2c1 989590 YCDCCCPOBYCAIM-UHFFFAOYSA-N 408.461 5.143 0 40 HKAB CCC(=O)NC(=S)Nc1cc(-c2nc3cc([C@@H](C)CC)ccc3o2)ccc1Cl 1265955 XPMSCULGGBCYSR-LBPRGKRZSA-N 415.946 5.885 0 40 HKAB CCc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccs1 1380082 SFBZIQVXIDCERD-JOCHJYFZSA-N 422.550 5.350 0 40 HKAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(OCc4ccccc4)cc3)NC(=O)CN21 2395462 KMXYRPUVIXGSDF-VFAHUECZSA-N 424.544 5.211 0 40 HKAB O=C(c1cc(Cl)nc(Cl)c1)N(Cc1ccc(Cl)cc1)Cc1cccnc1 2556144 ZXJFHUBYWGPXQS-UHFFFAOYSA-N 406.700 5.279 0 40 HKAB Cc1ccc(NC(=O)c2sccc2SCc2c(Cl)cccc2Cl)cc1 3047274 XZVGOJAQPZQPJB-UHFFFAOYSA-N 408.375 6.908 0 40 HKAB CC(NC(=O)Oc1c(Cl)cc(Cl)c2ccccc12)(C(F)(F)F)C(F)(F)F 3094899 XXMHJCZLLZONIM-UHFFFAOYSA-N 420.136 6.118 0 40 HKAB CC(=O)c1ccccc1OCCSc1nnc(-c2cccs2)n1-c1ccccc1 3372103 YRTGXBYHPMTHOZ-UHFFFAOYSA-N 421.547 5.370 0 40 HKAB Cc1cccc(NC(=O)CSc2cn(Cc3cccc(F)c3)c3ccccc23)c1 3581577 AJTNMHGCCXBFJK-UHFFFAOYSA-N 404.510 5.868 0 40 HKAB O=C(Nc1ccc(NC(=S)Nc2cccc(C(F)(F)F)c2)cc1)c1ccco1 3607095 VRHVRMNUCONYCR-UHFFFAOYSA-N 405.401 5.360 0 40 HKAB Cc1ccc(C(C)C)c(OCCn2cc(C(=O)c3cccs3)c3ccccc32)c1 3648672 SKMZMDARNVBAJC-UHFFFAOYSA-N 403.547 6.445 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CN1Cc1ccccc1 4033512 JOLAAOAZWHFXAB-PZVJUEDKSA-N 407.517 5.266 0 40 HKAB COc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)cc1OC 4184533 SUHTYTUKAFOUQS-UQBPGWFLSA-N 401.531 6.234 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)N1CCC(Cc2ccccc2)CC1 4704936 YIDBOOOSMXKNLP-UHFFFAOYSA-N 408.394 5.708 0 40 HKAB COc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(C)cc23)cc1OC 4970304 ZWXIREMSGPXVFR-UHFFFAOYSA-N 413.452 5.705 0 40 HKAB Clc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2c2cccc(Cl)c2)cc1 5003180 GWOBRQCMJHPOTH-NRFANRHFSA-N 401.724 7.003 0 40 HKAB COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccccc2Cl)cc1O 5248565 BCFYGCMXTHKFFP-UHFFFAOYSA-N 406.869 5.690 0 40 HKAB Cc1c(CCC(=O)NC(C)C)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 5346858 VIZIWTNALAXYMG-UHFFFAOYSA-N 407.441 5.111 0 40 HKAB O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 5400809 FFEMQQVRPUMOCL-LJQANCHMSA-N 408.502 5.102 0 40 HKAB O=c1c(Cc2c(F)cccc2Cl)c(O)ccn1Cc1cccc(C(F)(F)F)c1 6057763 BNDVOVYUXBTBQJ-UHFFFAOYSA-N 411.782 5.004 0 40 HKAB Cc1ccccc1OCC(=O)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 6479536 FKVZEHVMMFKQCS-UHFFFAOYSA-N 408.457 5.974 0 40 HKAB CCc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCc2ccccc2)cc1 6752875 HIKROLMARGZXTK-SANMLTNESA-N 423.516 5.133 0 40 HKAB CCOc1cc(CNCc2ccncc2)cc(Cl)c1OCc1ccccc1F 6870237 QSJJWUOTIXVOJD-UHFFFAOYSA-N 400.881 5.142 0 40 HKAB CCn1c(-c2ccccc2)c(C(=O)CSc2nnc(C)n2C2CC2)c2ccccc21 6993312 FDLBGSWYTWOQIX-UHFFFAOYSA-N 416.550 5.538 0 40 HKAB COc1ccc(C(=O)/C=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1 7375619 OGDTWJYQRBOZOO-FOCLMDBBSA-N 415.920 6.556 0 40 HKAB O=C(CC1(Cc2nc3ccccc3s2)CCCC1)OCc1cccc2ccccc12 7651258 LYPACVWQKZAHHV-UHFFFAOYSA-N 415.558 6.686 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 8086448 CDRJRVMGTSGYFI-AWEZNQCLSA-N 400.931 5.123 0 40 HKAB COc1cc(CNC2CCCCCC2)ccc1OCc1ccc(Cl)cc1Cl 8471650 KHCDXSFTLHSNGO-UHFFFAOYSA-N 408.369 6.393 0 40 HKAB CC(C)Sc1nc(NCc2ccccn2)c2c3c(sc2n1)COC(C)(C)C3 8617990 KJROBNAJILORAD-UHFFFAOYSA-N 400.573 5.050 0 40 HKAB Cc1cccc(-n2c(SCCOc3ccccc3)nc3sc(C)c(C)c3c2=O)c1 9296192 UVXPHNIYABPLMM-UHFFFAOYSA-N 422.575 5.544 0 40 HKAB COCCNc1nc(SC)nc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 9459731 AYGLOSXPOMNZDB-UHFFFAOYSA-N 422.579 5.175 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(NCC)n3)cc2)cc1 9573311 MNIHQHZOVMAFDS-UHFFFAOYSA-N 419.529 5.392 0 40 HKAB CCc1noc(C)c1C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 10408153 HNECXPPKGCQUAY-UHFFFAOYSA-N 417.387 5.069 0 40 HKAB C[C@@H](NCc1ccccc1CN1CCCC1)C(=O)Nc1ccccc1-c1ccccc1 12903598 UAXHOTQDRMRMQZ-OAQYLSRUSA-N 413.565 5.066 0 40 HKAB Cc1nc(N2CCC[C@H]2c2nc3ccccc3s2)c2c3c(sc2n1)CCCCC3 13096416 RDVMMIGZIRJUEG-KRWDZBQOSA-N 420.607 6.220 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)cc2)cc1 14404824 WSVAVORBGVJLKR-UHFFFAOYSA-N 424.504 5.302 0 40 HKAB CSc1nc2ccc(NC(=O)c3ccc(COc4ccc(F)cc4)o3)cc2s1 15320835 RTQPNJPUDRJTHS-UHFFFAOYSA-N 414.483 5.582 0 40 HKAB Cc1sc2ncnc(SCc3nc4ccccn4c3Br)c2c1C 16035500 GQYDQEXTJSHVLU-UHFFFAOYSA-N 405.346 5.011 0 40 HKAB Sc1nnc(C2c3ccccc3Oc3ccccc32)n1Cc1ccc(Cl)cc1 17083285 OLPLEFAMGBEXJA-UHFFFAOYSA-N 405.910 5.554 0 40 HKAB Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 20043034 WUIPTYVCIGOPPY-NLFFAJNJSA-N 401.550 5.966 0 40 HKAB CC(C)c1ccc([C@H]2N=C(Nc3ccccc3)c3cnn(-c4ccccc4)c3N2)cc1 20799570 MOGGZFCHBUZSJR-DEOSSOPVSA-N 407.521 5.979 0 40 HKAB COc1ccc([C@@H](C)NC(=O)c2ccc(SCc3csc(C)n3)cc2)cc1F 23078246 KXWGTFZXHQKNAI-CYBMUJFWSA-N 416.543 5.383 0 40 HKAB COc1ccccc1N(C(C)=O)c1nc(COc2c(Cl)cccc2Cl)cs1 24754303 DAEULAFVIAPOPH-UHFFFAOYSA-N 423.321 5.722 0 40 HKAB CC(C)(C)C(=O)Nc1cccc(NC(=O)c2cccnc2Sc2ccccc2)c1 32906495 JDSNDYRXVBTJQM-UHFFFAOYSA-N 405.523 5.470 0 40 HKAB O=C(N[C@@H](C/C=C\c1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 34856841 ZFMHHKMOLFNMMV-KVOGHMLTSA-N 413.473 5.082 0 40 HKAB COc1cc(-c2nc3ccc(C)cn3c2Nc2ccc(Br)cc2)ccc1O 35615924 FUJVYNPOQGZDPJ-UHFFFAOYSA-N 424.298 5.530 0 40 HKAB Clc1ccccc1COc1ccc(Br)cc1-c1nc2ccccc2[nH]1 39206023 BURGVVXOWFIOIY-UHFFFAOYSA-N 413.702 6.225 0 40 HKAB C[C@@H](Sc1ncccc1C(F)(F)F)c1ccnn1C(=O)c1ccccc1Cl 43804431 JXYBLORGBCOFIB-LLVKDONJSA-N 411.836 5.492 0 40 HKAB c1ccc(-c2ccc(-c3cn4c(-c5ccoc5)c(-c5ccoc5)nnc4n3)cc2)cc1 57761226 LBFXEXKTZCTOCN-UHFFFAOYSA-N 404.429 5.978 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72229896 VZKLYQYHPJPIDQ-DEOSSOPVSA-N 417.892 5.836 0 40 HKAB O=c1c(Cl)c(Cl)cnn1-c1ccc(N[C@H]2C[C@H]2c2cccc(F)c2)c(Cl)c1 72274778 QZVRPQJILFWEAO-GUYCJALGSA-N 424.690 5.300 0 40 HKAB Cc1cc2n(n1)[C@H](C)C[C@H](C(F)(F)F)N2C(=O)c1ccc(SC(F)(F)F)cc1 89610756 JKJDNNZMDMRFRB-ZWNOBZJWSA-N 423.382 5.346 0 40 HKAB Cc1ccccc1OCCCC(=O)N(CC(F)(F)F)[C@H]1CCCc2cccnc21 95462419 RRTFORKKRASJBK-SFHVURJKSA-N 406.448 5.018 0 40 HKAB Cc1ccc(-c2nc3ccc(NC(=S)NC(=O)c4ccccc4C)cc3o2)cc1 98086911 MGZUMNHRSBOHNP-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB Fc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nc(-c4ccc(Cl)cc4)nc3N2)cc1 100830399 TYQUSFVLKIEANY-NRFANRHFSA-N 420.850 5.933 0 40 HKAB c1ccc(/N=c2\scc(-c3ccc(Oc4ccccc4)cc3)n2-c2ccccc2)cc1 102632556 OIPIRWQSQVMMNU-DQSJHHFOSA-N 420.537 7.231 0 40 HKAB Cc1s/c(=N\c2ccccc2)n(-c2ccccc2)c1-c1ccccc1OC(F)F 102776978 RLMAGSRPUMRQGI-RWEWTDSWSA-N 408.473 6.348 0 40 HKAB CCCSc1nnc(NC(=O)CSCc2ccc(Cl)cc2Cl)s1 105550629 JCHWGILFQLGECH-UHFFFAOYSA-N 408.401 5.219 0 40 HKAB COC(=O)c1c(C)n(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc12 216893001 YZMGZCAQHIITIA-GFCCVEGCSA-N 406.265 5.151 0 40 HKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(C)cc2)o1 222959540 JTFMEXYRFUKEJM-FCHUYYIVSA-N 423.607 5.907 0 40 HKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223106796 RJCCLYCDGAGBDI-DNQXCXABSA-N 416.594 5.486 0 40 HKAB CC(C)CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223420232 ZFFDEUXHERKTQO-JOCHJYFZSA-N 414.977 5.228 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)C)c2)cc1 224231067 CZYWHOQNUWNQRR-UHFFFAOYSA-N 419.521 6.049 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1cccc(C)c1 224383935 POIAAHJDEUJVAY-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1cc(C)cc(C)c1 224535270 MJRSKLPMKXUUJX-UHFFFAOYSA-N 403.522 5.553 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1cc(C)cc(C)c1 224537373 OMEOTPUZBAKTFF-UHFFFAOYSA-N 421.562 6.255 0 40 HKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 225034893 ORHVKCQRJLQFPH-VWLOTQADSA-N 420.597 5.102 0 40 HKAB CCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C 225864174 IULVNACBWLGBDK-UHFFFAOYSA-N 407.341 5.936 0 40 HKAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3[nH]nc4c3CCCCC4)C2)n1 257294164 QSWAHZKPNMQBMB-FQEVSTJZSA-N 414.553 5.069 0 40 HKAB CCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Br 408557440 NKDPVQGAHSWCDU-QGZVFWFLSA-N 412.736 5.280 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2cccc(Cl)c2)cc1 408694069 HWCLCZFBRXHBQW-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 408705764 MZAVDBSKPAGMME-AWEZNQCLSA-N 402.277 6.192 0 40 HKAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c(C)c1 408969777 UJKKCIAIIQNHEZ-UHFFFAOYSA-N 405.325 5.101 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1Cc3ccccc3[C@H]21 408995936 CBWCMMXMHXYGTQ-PWRODBHTSA-N 420.306 5.618 0 40 HKAB Cn1c(SCc2ccc(Br)cc2)nnc1-c1cc2ccccc2o1 409330050 JFBPCTMMSNSWDH-UHFFFAOYSA-N 400.301 5.283 0 40 HKAB Cc1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3cccc(C(F)(F)F)c3)sc2n1 705853 SIMFVESPWYJTLA-UHFFFAOYSA-N 419.350 5.477 0 40 HKAB O=C(NC1CCCCC1)[C@H](c1ccccc1)N(C(=O)c1ccco1)c1ccccc1F 1341550 COVIFMCFOVTUHX-QHCPKHFHSA-N 420.484 5.256 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)Nc3ccccc3F)cc2c1 1353147 HIUIJAZNQRQDAQ-UHFFFAOYSA-N 415.468 5.210 0 40 HKAB O=C(c1cccc(Cl)c1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363794 QIPFJKQANTWPKM-OAHLLOKOSA-N 402.281 5.063 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1-c1nnc(COc2ccc(Cl)cc2)o1 1385335 CZMZGXMYZORAOU-UHFFFAOYSA-N 402.237 5.586 0 40 HKAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)sc2c1CCCC2 1909659 URBGPJVSTJKHLM-CQSZACIVSA-N 415.555 5.117 0 40 HKAB O=C(Nc1nnc(SCc2ccc(Cl)cc2Cl)s1)c1ccccc1F 2124252 GMRYUEMRFQGEHM-UHFFFAOYSA-N 414.314 5.529 0 40 HKAB CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(Cl)cc1)CC2=O)c1ccccc1 2244914 PTJHYSRNQDMGAW-IEBWSBKVSA-N 419.912 5.175 0 40 HKAB Cc1cc(Br)cc(Cl)c1O[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 2644143 FLWYJSZWINSRMR-VIFPVBQESA-N 421.093 5.609 0 40 HKAB O=C1c2ccccc2N[C@@H](/C=C/c2ccccc2)N1c1ccc(Br)cc1 2745326 BDWQCZKQIKEZCV-XISXUPMFSA-N 405.295 5.561 0 40 HKAB O=C(Oc1ccc(-c2ccccc2)cc1)c1cc(-c2ccccc2)nc2ccccc12 2766430 KOQQDWNYOFTIKC-UHFFFAOYSA-N 401.465 6.788 0 40 HKAB FC(F)Oc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3ccccc3S2)cc1 4184506 BJECWOUDPJISSC-OAQYLSRUSA-N 415.892 7.299 0 40 HKAB CCCCCN(CCCCC)C[C@@H](OC(C)=O)c1cc2c(c3ccccc13)CCCC2 4416123 DPKDGTMNCRDACZ-MUUNZHRXSA-N 423.641 7.005 0 40 HKAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1sc2ccccc2c1Cl 4488436 KSYQIXXTHXXQPL-UHFFFAOYSA-N 412.942 5.823 0 40 HKAB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cc(Cl)ccc1C(=O)O 4599834 RRAKJXYICQMMOU-UHFFFAOYSA-N 402.661 5.143 0 40 HKAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c2ccccc12 4660175 JTFOKZUSRYCGRX-SQJMNOBHSA-N 412.514 6.152 0 40 HKAB CCc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(F)cc23)cc1 4970270 QEKIMPIZGLZQHP-UHFFFAOYSA-N 415.899 6.904 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(-c3cccc(Br)c3)o2)c(C)c1 5148126 QHSSQHHHBLTUNZ-UHFFFAOYSA-N 403.301 5.091 0 40 HKAB COc1ccc2[nH]cc(/C=C/c3nc4ccccc4c(=O)n3-c3ccc(C)cc3)c2c1 5501077 UZZCNFCEJTVHLY-NTEUORMPSA-N 407.473 5.354 0 40 HKAB Cc1cc(C(=O)CSc2nnc(C)n2C2CCCCC2)c(C)n1CC(F)(F)F 5866288 HAIYQCKHZQWNLK-UHFFFAOYSA-N 414.497 5.047 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1Cl 5874061 BNZGFRRTJCEALQ-UHFFFAOYSA-N 420.896 6.416 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 6258370 GPWCAGLVCDIXNU-UHFFFAOYSA-N 407.322 5.913 0 40 HKAB CCCCN(CCCC)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 6397464 CWVPNYXYMRQKHT-UHFFFAOYSA-N 422.594 6.530 0 40 HKAB COc1ccc(-c2c(C)oc3cc(Nc4ccc(OC)cc4OC)ccc3c2=O)cc1 6672075 LUDMHWDALRCPMI-UHFFFAOYSA-N 417.461 5.538 0 40 HKAB biogenic CCCCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 7261028 JFYMTECJRCGWSL-UHFFFAOYSA-N 410.385 6.641 0 40 HKAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8036608 CTGCWWCZEGBXEC-QFIPXVFZSA-N 404.510 5.016 0 40 HKAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1csc(-c2ccccc2)n1 8061344 JVYRSGKCSCLPCT-UHFFFAOYSA-N 415.522 5.047 0 40 HKAB CC1CCN(c2ccc(N[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)cc2)CC1 8136291 JQXGLJYYURMVHM-OAQYLSRUSA-N 413.565 6.029 0 40 HKAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc(C2CC2)nc2ccccc12 8245498 ONGDWYQVENQGQL-UHFFFAOYSA-N 423.520 5.349 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(COc2ccccc2F)s1 8993721 CTRWZLFXZRMQSV-UHFFFAOYSA-N 413.261 5.207 0 40 HKAB CC(C)(C)c1ccc(-c2nn(CC(=O)c3ccc4ccccc4c3)c(=N)s2)cc1 9553394 BKRKCPYPLQJTPO-UHFFFAOYSA-N 401.535 5.425 0 40 HKAB COc1ccc(C)cc1CCNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 9884499 KSMDXYACIOVOIP-UHFFFAOYSA-N 412.489 5.298 0 40 HKAB COC(=O)[C@H](C)N1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(C)cc2)[nH]c2ccccc12 10058907 JXFSPDRTHWDYGF-SSOJOUAXSA-N 424.500 5.250 0 40 HKAB Clc1cccc(-n2ncc3c(NC(c4ccccc4)c4ccccc4)ncnc32)c1 10386912 FUSVUUZRPRBLCO-UHFFFAOYSA-N 411.896 5.670 0 40 HKAB O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 12351769 KAJUQNRNAFKZGC-VIZOYTHASA-N 414.697 5.589 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3c4ccccc4C[C@@H]3C)c2n1 12587397 OOWFYARAYWSGAM-ZDUSSCGKSA-N 401.293 5.207 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CCSc1ccc(Cl)cc1 12656754 CGVSDUKLIGPYSR-LZQZEXGQSA-N 412.979 5.369 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)Nc3ccccc3)c2)cc1 13628081 UXFDOTXQTFXROB-UHFFFAOYSA-N 403.551 6.045 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)c1 13810894 VACGZMOFKIXJDH-LADGPHEKSA-N 424.878 6.477 0 40 HKAB COc1ccc(CN(Cc2ccncc2)Cc2ccc(Cl)c(Cl)c2)cc1OC 13989935 XXDJKUZOEXOJSG-UHFFFAOYSA-N 417.336 5.608 0 40 HKAB Cc1ccc2c(c1)c1c(n2C[C@H](O)CN(C2CCCCC2)C2CCCCC2)CCCC1 15231029 RPGHBQDZFKZBFD-XMMPIXPASA-N 422.657 6.157 0 40 HKAB CCOC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 16757652 ZCEKXEZJKXEJJN-QGZVFWFLSA-N 417.534 5.440 0 40 HKAB Cc1ccccc1-c1nc(CSc2nc(C)c(Cc3ccccc3)c(O)n2)c(C)o1 16841830 DJTZYRVEBVLEMW-UHFFFAOYSA-N 417.534 5.646 0 40 HKAB CSc1nc(O)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CC(C)(C)OC4 17195764 UIUVXIGPKILQDD-UHFFFAOYSA-N 409.536 5.185 0 40 HKAB C[C@H](NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccc(C(C)(C)C)cc1 20111658 FNWAMQMXYJJBMN-FQEVSTJZSA-N 412.577 6.038 0 40 HKAB CCOc1ccc(CCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCC 20462525 VWBPJOOGZPEYJQ-UHFFFAOYSA-N 405.494 5.848 0 40 HKAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC2CCCCC2)[C@H]1c1cccs1 20904258 YXVWRDWPQXHAHQ-FCHUYYIVSA-N 410.583 5.134 0 40 HKAB CN(C)C(=O)c1cccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1 26130918 NJVJTDRDGFZLSG-UHFFFAOYSA-N 412.411 5.327 0 40 HKAB COc1ccc([C@H](CNC(=O)c2oc3ccccc3c2C)c2c[nH]c3ccccc23)cc1 27794584 FZRVNDWZACFIMI-QFIPXVFZSA-N 424.500 5.793 0 40 HKAB CC(=O)Nc1cccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)c1 29512048 KPDIJJFLBGQXJE-UHFFFAOYSA-N 417.490 5.331 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccccc2-c2nc(-c3ccc(F)cc3)no2)cc1 32623678 ZMKJJHVPINAMBH-UHFFFAOYSA-N 417.440 5.123 0 40 HKAB Cc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1 35425527 BQFGPDARWUEBJK-QFIPXVFZSA-N 418.541 5.489 0 40 HKAB biogenic,in-vitro Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc2[nH]c3c(c2c1)CCCCC3 36396028 ZEKLRIQAVQUZIB-UHFFFAOYSA-N 412.537 5.421 0 40 HKAB Cc1cc(C(=O)Nc2ccc(C)c(Cl)c2)c2c(C)nn(-c3ccc(F)cc3)c2n1 36616326 VDPLVYGICLBVQS-UHFFFAOYSA-N 408.864 5.391 0 40 HKAB C[C@@H](OCCCNC(=O)c1ccccc1SCc1cccs1)c1ccccc1 40050739 SDPCITSBZSBSJZ-GOSISDBHSA-N 411.592 5.938 0 40 HKAB O=c1cc(-c2ccc(Cl)cc2)nc2n(Cc3ccc(F)cc3)c3ccccc3n12 40484775 MKUHBEODVAUVJS-UHFFFAOYSA-N 403.844 5.157 0 40 HKAB O=C(CSc1nc2ccccc2n1Cc1ccccc1)NCc1ccccc1Cl 41076895 NRQGRAZJUVZPBV-UHFFFAOYSA-N 421.953 5.147 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccsc1)Cc1ccccn1 44446065 SXKRTOFFWIMTFZ-UHFFFAOYSA-N 407.322 5.058 0 40 HKAB COc1cc(OC)c(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)cc1Cl 44838293 CLHIMPUFCZMZHI-UHFFFAOYSA-N 407.857 5.153 0 40 HKAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 44904740 WBDUVHWAVIBKKR-QGZVFWFLSA-N 402.343 5.068 0 40 HKAB Cc1ccc(-c2cc3c(SCc4cccc(Br)c4)nccn3n2)cc1C 45925347 LIUHNBUTBDPOGH-UHFFFAOYSA-N 424.367 6.068 0 40 HKAB O=C(COc1ccc2cc(Br)ccc2c1)Nc1cccc(-c2cnco2)c1 58412305 IRAQOPHDACVJHA-UHFFFAOYSA-N 423.266 5.275 0 40 HKAB OC1=NC(=S)S/C1=C\c1cn(Cc2c(F)cccc2Cl)c2ccccc12 59201141 ALUIXTRYQLOMQD-IUXPMGMMSA-N 402.903 5.811 0 40 HKAB COc1ccccc1C(=O)Nc1ccc2nc(SCc3ccccn3)sc2c1 59417562 FCMZRPCDQKICCK-UHFFFAOYSA-N 407.520 5.245 0 40 HKAB CN(C(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccccc1-c1ccccc1 62582633 PHIHSRUZFMBONK-UHFFFAOYSA-N 400.453 5.743 0 40 HKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)C(Cl)(Cl)Cl)cc3O)nc2c1 70462057 FZWDJIHKGGAFPP-UHFFFAOYSA-N 413.688 5.633 0 40 HKAB Cc1cc(C)c(CSc2nc3ccsc3c(=O)n2CCc2ccccc2)c(C)c1 71327590 VGDLNKDGEONSMT-UHFFFAOYSA-N 420.603 5.918 0 40 HKAB CCc1c(-c2csc(C3(NC(=O)c4ccccc4)CCCC3)n2)[nH]c(C)c1C(C)=O 72284613 DAGSTNWCEMTUJQ-UHFFFAOYSA-N 421.566 5.411 0 40 HKAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1c1ccc(OC(F)(F)F)cc1 102723050 BINFZHSPZYRYHX-UHFFFAOYSA-N 417.412 5.475 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 102822474 YUFZTSYDVPUHQS-INIZCTEOSA-N 403.960 5.676 0 40 HKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 106971429 FPGYNOOERITYEY-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1Br 215062520 UUWFFBRMFSYOTM-RQZCQDPDSA-N 413.296 5.167 0 40 HKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 222936554 QGWYIOLYPWTLHU-LEWJYISDSA-N 411.958 5.624 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1cccc2ccccc12 224299205 CBRCJXSRFFDEJR-IBGZPJMESA-N 411.501 5.918 0 40 HKAB COc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1cccc2ccccc12 224300293 CEMGNFMBRGRWJX-UHFFFAOYSA-N 411.501 6.297 0 40 HKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)Nc1ccc(OC(C)C)cc1 224587498 JWVCCFDQYQYBEI-JCMHNJIXSA-N 420.534 5.253 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1cccc(OC)c1 224592867 XGZPQYGAURTSSY-UHFFFAOYSA-N 423.534 5.647 0 40 HKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)ccc1F 224895329 RWOLTZBGRZVNNJ-DHIUTWEWSA-N 420.557 5.623 0 40 HKAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCSCc1cccc2ccccc12 224982470 OXTPTNKCMSCURF-UHFFFAOYSA-N 411.570 6.099 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCCC2)ccc1OC(C)C 225755598 QAFMQGJPLPKHGC-UHFFFAOYSA-N 409.526 5.491 0 40 HKAB c1ccc(-c2ccc3oc(CCc4nc5cc(-c6ccccc6)ccc5o4)nc3c2)cc1 226248809 GZEQAOBJYXEWOC-UHFFFAOYSA-N 416.480 7.088 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3c(C)cc(N)cc3Cl)o2)c(Br)c1 226756303 KDPFMEMEFXCAFZ-UHFFFAOYSA-N 419.706 5.814 0 40 HKAB CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(Cl)cc2F)C1 257229634 FYVRCJNVTFYYCF-ZVDOUQERSA-N 410.316 6.010 0 40 HKAB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccccc1C 408564060 XJEUZDDPHDVKQH-ATJXCDBQSA-N 405.350 5.901 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1OCc1ccccc1 408585961 KPAGGFKRDDBUCZ-UHFFFAOYSA-N 405.803 6.190 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cccc(OCc2ccccc2)c1 408621967 NWYCXTOGIKNGRY-UHFFFAOYSA-N 405.803 6.190 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3cccc(C)c3)sc2-c2ccccc2)cc1 408723214 RDVRKTXBNNOFII-UHFFFAOYSA-N 400.503 6.046 0 40 HKAB CCOc1c(Cl)cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1Cl 408783072 JSGRNWIUWPGMOS-ZZODWALSSA-N 423.365 5.554 0 40 HKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccc(C(C)=O)cc4)o3)S2)cc1 408786191 GQEIWRKUJFDWRI-IGSWSUAKSA-N 418.518 5.311 0 40 HKAB CCCc1sc2nc(Sc3ccccn3)n(-c3ccc(F)cc3)c(=O)c2c1C 409121932 VZXBUCFAPVYQMI-UHFFFAOYSA-N 411.527 5.393 0 40 HKAB Cc1ccc(SCCC(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1 409173722 QRKZOGDAHZRRSS-UHFFFAOYSA-N 405.607 6.656 0 40 HKAB COc1ccccc1OCc1ccc(C(=O)Oc2ccc(C3CCCCC3)cc2)cc1 409179197 PTIWQPULGVHJFO-UHFFFAOYSA-N 416.517 6.541 0 40 HKAB CC(C)c1ccc(CN2CCC3(CC2)CC(Nc2cc(C(F)(F)F)ncn2)C3)cc1 2056226557 USDCEAICEXSEGX-UHFFFAOYSA-N 418.507 5.476 0 40 HKAB O=S1(=O)c2ccccc2N[C@@H](c2cccc(Cl)c2Cl)N1Cc1ccccc1 982851 JOIIWFXAOIFDQE-HXUWFJFHSA-N 419.333 5.309 0 40 HKAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 1352800 HOJRNBMQFOZBAY-UHFFFAOYSA-N 421.884 5.317 0 40 HKAB C[C@H]1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)C[C@H](C)O1 1447594 APJYHERCIDOZRE-IRXDYDNUSA-N 418.928 5.355 0 40 HKAB Cc1ccc(CSc2nc3ccccc3n2C(=O)COc2cccc(C)c2)cc1 1467556 VKCAFAFECKPSQG-UHFFFAOYSA-N 402.519 5.665 0 40 HKAB CSc1nc(N)c2c3c(sc2n1)[C@H](c1ccccc1)S[C@H](c1ccccc1)C3 1825557 RVSPEKVTQIGLOB-WMZOPIPTSA-N 421.616 6.115 0 40 HKAB CC(C)(C)c1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2099606 MWJYXQBXYRUPAR-UHFFFAOYSA-N 404.354 6.666 0 40 HKAB CCCC(=O)N(c1nc(-c2ccc(OCC)cc2)c(CC)s1)c1ccc(C)cc1C 2170641 JBBSRKHXHBCGPR-UHFFFAOYSA-N 422.594 6.853 0 40 HKAB CCCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1OC 2212560 NMLPUGWAMTUMJE-SXGWCWSVSA-N 406.265 5.135 0 40 HKAB CC(C)[C@H]1Cc2c(sc3nc(SCc4ccccc4Cl)nc(N)c23)CO1 2233715 ZZYYXIKLCGHOPR-CQSZACIVSA-N 405.976 5.317 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cccc3ccccc23)cc1 2338865 HGFJDOYCWZJKNP-UHFFFAOYSA-N 422.484 5.304 0 40 HKAB Clc1ccc(-n2ncc3c2ncn2nc(-c4ccc(Cl)c(Cl)c4)nc32)cc1 2424342 IVXWGMHNKDIPMF-UHFFFAOYSA-N 415.671 5.090 0 40 HKAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(OCCOc2ccccc2Cl)cc1 2986640 GKLDQDGFOHKDLU-LTGZKZEYSA-N 419.864 5.142 0 40 HKAB Cc1ccc(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C2=NC[C@H](C)S2)cc1C 3024893 CJPCBDONPMXCBG-ZDUSSCGKSA-N 408.354 6.140 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc3ccccc23)cc1 3065911 IEKIANFGONFHCF-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 3450468 VQOTYRUPTYRGDT-UHFFFAOYSA-N 422.550 5.025 0 40 HKAB C[C@H](c1nnc(SCc2c(F)cccc2Cl)n1-c1ccc(F)cc1)N(C)C 4490909 IXOZJTKFCMKJOZ-GFCCVEGCSA-N 408.905 5.114 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1 4554943 IKIWOASGURSBAQ-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccccc1 4607855 VOVVGJQYESXGGY-UHFFFAOYSA-N 407.882 5.275 0 40 HKAB CCC(=O)Nc1ccc2nc(SCc3c(C)cc(C)c(C(C)=O)c3C)sc2c1 4691525 MZDHFEVWRNPUAL-UHFFFAOYSA-N 412.580 6.065 0 40 HKAB COc1ccc2oc(C(=O)Nc3nc(-c4ccccc4)c(C(C)=O)s3)c(C)c2c1 5607407 DXPLZFBKRYHHPO-UHFFFAOYSA-N 406.463 5.328 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1 6364030 FNMXTPGVIPVMNH-UHFFFAOYSA-N 400.950 5.645 0 40 HKAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cccc2c(Cl)cccc12 6495594 XTFMEYTWCYXZAQ-UHFFFAOYSA-N 407.709 6.662 0 40 HKAB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C)cc1 7375809 YCXAKYLCJXUBPA-IZZDOVSWSA-N 410.857 5.560 0 40 HKAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 8161297 ZBMCIRMOVOBYSG-CLOONOSVSA-N 417.505 5.317 0 40 HKAB Cc1csc(SCc2ccccc2C(=O)Nc2ccc(N3CCCCC3)cc2)n1 8194696 WSYPSLYPQGIBNJ-UHFFFAOYSA-N 423.607 5.986 0 40 HKAB CCOc1cc(CNCCc2c[nH]c3ccccc23)cc(Br)c1OCC 8253832 BISWHEZJMHAJEI-UHFFFAOYSA-N 417.347 5.060 0 40 HKAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCCC[C@H]1c1nc2ccccc2s1 8427938 VXMNPZSSDKIGRN-FQEVSTJZSA-N 410.564 5.140 0 40 HKAB COc1cc(Cl)c(C)cc1NC(=O)CSc1cc(-c2ccccc2)nc(C)n1 8654791 AZNOJTUQRZUEDW-UHFFFAOYSA-N 413.930 5.153 0 40 HKAB Clc1ccc(Cn2c(-c3cccnc3Cl)nc3cc(Cl)c(Cl)cc32)cc1 8733550 GQIWNZNPEWFJRT-UHFFFAOYSA-N 423.130 6.760 0 40 HKAB Brc1ccc(COc2ccc(-c3nccc(-c4cccs4)n3)cc2)cc1 8762967 HFTOQUBDWIKRIK-UHFFFAOYSA-N 423.335 6.214 0 40 HKAB CCOc1ccc2cc([C@H]3CC(c4ccco4)=NN3C(=O)C(C)C)c(Cl)nc2c1 8774896 MIEOITGEPUJCSZ-LJQANCHMSA-N 411.889 5.214 0 40 HKAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(CC)c1ccccc1O2 9134561 GESWZROQAINRKL-UHFFFAOYSA-N 402.450 5.110 0 40 HKAB COc1ccc2oc(=O)c(-c3nc4ccccc4n3Cc3ccc(Cl)cc3)cc2c1 9187323 DKGNLCCOZHNVLG-UHFFFAOYSA-N 416.864 5.520 0 40 HKAB COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(Cl)cc1 9358904 HXCVAQDCAVFJCO-UHFFFAOYSA-N 418.880 5.037 0 40 HKAB O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1)c1ccco1 9583334 YZRYIKIKVRNKBM-SFHVURJKSA-N 417.490 5.119 0 40 HKAB Cc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cc(F)cc4c32)cc1Cl 9675998 HRHHMIBDIQXBAA-UHFFFAOYSA-N 423.825 6.620 0 40 HKAB COc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1OC 10041494 XIVRBPGYSHOVLC-UHFFFAOYSA-N 424.456 5.918 0 40 HKAB CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@@H]3c2ccco2)cc1 10215758 MLMJVMYSDILOHF-HYBUGGRVSA-N 404.466 5.319 0 40 HKAB Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1ccco1)C(=S)Nc1ccccc1 11024734 NZPAJOOKDLNRME-UHFFFAOYSA-N 423.969 6.164 0 40 HKAB Brc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@H](c1cccs1)O2 12193172 WSHXDXKCIIUSOX-KDOFPFPSSA-N 401.285 5.346 0 40 HKAB COc1ccccc1NC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 12618613 YZOXNJPEXWESIN-UHFFFAOYSA-N 404.470 5.150 0 40 HKAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccc(Cl)cc1Cl 12998833 IQINNJNEUZXTNS-IBGZPJMESA-N 423.390 5.703 0 40 HKAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc3cc(Br)cc(Br)c3o2)C1 13139719 LKZMKXQIYSQRFC-AOOOYVTPSA-N 415.125 5.076 0 40 HKAB O[C@@H](Cn1c(-c2cccnc2)nc2ccccc21)Cn1c2ccccc2c2ccccc21 13510798 AELAHDARQOQTOD-HXUWFJFHSA-N 418.500 5.267 0 40 HKAB CC(C)CCn1c([C@H](Cc2ccccc2)NC(=O)c2ccccc2)nc2ccccc21 13563599 VDQOHIXPZHBQBL-DEOSSOPVSA-N 411.549 5.796 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccc(Cl)cc1Cl 14070103 YCPCDYNSHXUWCW-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ncc(Cc2ccccc2)s1 14779352 FZYKPPDUZLGXNU-UHFFFAOYSA-N 407.470 5.099 0 40 HKAB CCc1ccc(OCCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1 15922089 QVMXXOVSZXNWPX-GOSISDBHSA-N 417.509 5.152 0 40 HKAB CC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 17090209 DJSYVTLFPOSQKO-DHZHZOJOSA-N 415.276 5.864 0 40 HKAB CCN(CC)c1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c(C)c1 17090993 XXLNLHWOOAMTNL-UHFFFAOYSA-N 417.336 6.660 0 40 HKAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1 17091344 ZBINUMYEWNZHIN-UHFFFAOYSA-N 418.316 5.050 0 40 HKAB Cc1ccc2[nH]c(C)c(CCN(Cc3ccncc3)C(=S)Nc3ccccc3)c2c1 17121960 IQAUHCHSQYTMIT-UHFFFAOYSA-N 414.578 5.621 0 40 HKAB CCCn1c(NC(=O)c2ccccc2OCc2csc(C)n2)nc2ccccc21 19310022 XVVUYGWNXIXFRG-UHFFFAOYSA-N 406.511 5.043 0 40 HKAB Cc1c(C(=O)Nc2ccccc2Cl)nnc2c(-c3cccc4ccccc34)cnn12 19817189 IVQLQFGOAFVWML-UHFFFAOYSA-N 413.868 5.159 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(-c2ccc(CO)o2)c1 20144694 IRYNYJHKTXTQAR-LBPRGKRZSA-N 406.265 5.152 0 40 HKAB Cc1cccnc1N(Cc1cccs1)C(=O)C1=C(c2ccccc2)SCCO1 20718499 FTUPBYIKUHPVGE-UHFFFAOYSA-N 408.548 5.117 0 40 HKAB Cc1ccc(C)c(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)cc3)c3ccccc23)c1 28535433 ABWVYOJLLQBNNZ-UHFFFAOYSA-N 417.896 5.435 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 39918220 WLXYIEGXWVWUPL-SNVBAGLBSA-N 417.214 5.004 0 40 HKAB C[C@H](NC(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 40024132 MLHIQBUEWOIWTO-RYUDHWBXSA-N 404.354 5.846 0 40 HKAB Cc1ccc(C(=O)N[C@H](C)c2ccccc2OC(F)F)cc1NC(=O)c1ccccc1 40086878 OJZYGNMAGSWSJL-MRXNPFEDSA-N 424.447 5.340 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1OCC 44902946 ZIHJHEMZQLCNHY-JPYJTQIMSA-N 421.537 5.672 0 40 HKAB C[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 45561098 LPHWUOGMNDAHQF-CQSZACIVSA-N 418.921 5.277 0 40 HKAB O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cnc(Cl)c(Cl)c1 58659977 WZNYBYFQMWJVLH-UHFFFAOYSA-N 418.227 5.783 0 40 HKAB C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)C(=O)c1nc(N2CCCCC2)ncc1Cl 72310289 RHZGKZDHJGECGX-HUUCEWRRSA-N 421.372 5.038 0 40 HKAB O=C(Nc1ccccc1)O[C@H]1CCC[C@@H](NC(=O)C2(c3cccs3)CCCC2)C1 77200218 URESBQXCFWSOGE-MOPGFXCFSA-N 412.555 5.236 0 40 HKAB COc1ccccc1[C@@]1(O)C[C@@H](c2ccc(C)cc2)N[C@H](c2ccc(C)cc2)[C@@H]1C 101659422 VXHVUKKYMOSWJM-HZVPBQBQSA-N 401.550 5.612 0 40 HKAB COC(=O)c1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3onc(C)c32)cc1 102716797 BIVOGBXJSZWKPB-PGRDOPGGSA-N 414.461 5.377 0 40 HKAB Fc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223107865 PVAKJDFGSSPBFD-PKTZIBPZSA-N 420.557 5.317 0 40 HKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 223784977 YXGYGPANIJRTAS-RTBURBONSA-N 415.971 5.372 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccc(Cl)cc1 224496746 PYEOPPWMVQHKJR-UHFFFAOYSA-N 409.913 5.556 0 40 HKAB CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224937139 OJPIYXMIGFSFSS-UHFFFAOYSA-N 418.651 5.491 0 40 HKAB CC[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(OC)c(C)c1 225492016 NQCULDQTPOYEQH-HSZRJFAPSA-N 423.940 6.117 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)CCCC2)cc1 225512650 GFTGNELTQKCMPA-UHFFFAOYSA-N 406.570 5.310 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 225555821 DGNWYTHQZIQTNY-UHFFFAOYSA-N 406.353 6.623 0 40 HKAB CC(C)Oc1ccc(CCCNC(=S)Nc2cccc(Br)c2)cc1 225568012 UQOYUICJANIWMA-UHFFFAOYSA-N 407.377 5.156 0 40 HKAB CC(C)c1ccc(CCCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 225807596 XUKLGJIDOMEXJT-UHFFFAOYSA-N 423.626 5.355 0 40 HKAB COc1ccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1Cl 226363454 LCVPLPWBHDQDQR-UHFFFAOYSA-N 402.302 6.445 0 40 HKAB CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 256449049 OQMZNAMGEHIHNN-VJJDXSFESA-N 410.686 7.721 0 40 HKAB Cc1cc(Br)ccc1NCc1cc(Cl)ccc1OCc1ccccc1 408609831 PAGOTDKSPCISBK-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(C)c(C)c2)c1 408693578 AJEPMJUMTWTJAE-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3)n2)c(C)c1 408693727 COZNUJSUOFJVNW-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB O=c1/c(=C/c2ccccc2Cl)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 408975491 MGERYZAIEKRKRM-HKWRFOASSA-N 414.917 5.291 0 40 HKAB COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccc(C)cc1 409119147 RNALVNKSCPDDLC-UCQKPKSFSA-N 403.503 5.668 0 40 HKAB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(C)C)C3=O)o2)ccc1Br 409132544 QGEFBBNIEYVBFG-MFOYZWKCSA-N 420.328 5.710 0 40 HKAB Cc1ccc(SCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1 409168331 QJYMEKHMKQMTOW-UHFFFAOYSA-N 400.396 5.444 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 409181573 DHHDHFRESLKAKG-UHFFFAOYSA-N 403.909 6.693 0 40 HKAB O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2ccc(Cl)cc2)N1c1ccccc1 409349243 UZPFJAHZTCUMNR-SANMLTNESA-N 424.931 6.706 0 40 HKAB Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 883926 KEXWNNVXZVPTJD-UHFFFAOYSA-N 417.456 5.510 0 40 HKAB CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4cccc(Cl)c4C)cc3n2)cc1 994134 RLZHOIQVVJRYOB-UHFFFAOYSA-N 420.900 5.318 0 40 HKAB COc1ccc([C@@H](CC(=O)c2ccco2)Sc2cccc3cccnc23)cc1OC 1463200 ACNGCUNXAIQROK-HSZRJFAPSA-N 419.502 5.951 0 40 HKAB COc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1F 2094051 UDQPHQSGZCQCLW-UHFFFAOYSA-N 420.311 6.641 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 2143977 JHOQWSBEAXKADD-UHFFFAOYSA-N 410.244 5.764 0 40 HKAB Fc1ccc(CSc2nc(CN3c4ccccc4Sc4ccccc43)n[nH]2)cc1 2181095 ZTWONFYIGIIHGQ-UHFFFAOYSA-N 420.538 6.039 0 40 HKAB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4cccc(C)c4C)c23)cc1 2195335 QTJCQJCQBSGORW-UHFFFAOYSA-N 419.575 6.014 0 40 HKAB CCOc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2cccs2)cc1 2346609 MMGHFKYWRCYRSR-UHFFFAOYSA-N 411.527 5.826 0 40 HKAB CCCSc1nnc2c3c4c(sc3nc(SCCC)n12)CO[C@@](C)(CC)C4 2356289 CTCFKOPPYSLRQJ-IBGZPJMESA-N 422.645 5.585 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCc3ccc(F)cc3Cl)cc12 2372591 SWIAHRYIIIGSSO-UHFFFAOYSA-N 424.855 6.648 0 40 HKAB biogenic Cc1ccccc1-n1nc(C)c2cc(C(=O)N[C@H]3CCCc4ccccc43)sc21 2377494 JNGYRQSDWFGGNX-FQEVSTJZSA-N 401.535 5.511 0 40 HKAB CCOc1ccc2c(c1)c1nnc(-c3ccc(C)cc3)c-1cn2Cc1cccc(OC)c1 2690338 HAFASMKGZJIFSO-UHFFFAOYSA-N 423.516 5.967 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1 2743437 IATOYEXYXATFIW-UHFFFAOYSA-N 415.202 5.185 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)sc2c1 3025346 GEHOBJOAFXDLIQ-UHFFFAOYSA-N 423.335 6.287 0 40 HKAB COC(=O)c1cc(CSc2nnc(-c3ccc(F)cc3)c3ccccc23)oc1C 3285312 PWFHSONFVGDOLB-UHFFFAOYSA-N 408.454 5.416 0 40 HKAB COc1cc(/C=C/C(=O)Oc2ccc3oc4ccccc4c3c2)cc(OC)c1OC 3286174 HJTNUQJANQYJKX-DHZHZOJOSA-N 404.418 5.231 0 40 HKAB Cc1c(Cl)cn2c(=O)cc(CNc3cc(Cl)cc(Cl)c3)nc2c1Cl 3299490 JDIPYBMQKCIFAN-UHFFFAOYSA-N 403.096 5.229 0 40 HKAB CCc1cccc(CC)c1NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 3340655 OYKAJGBJNKMCSG-UHFFFAOYSA-N 405.469 5.199 0 40 HKAB COc1ccc(-c2nc(NC(=O)Cc3cccc(C(F)(F)F)c3)sc2C)cc1 3363240 KQQYABMESVBYED-UHFFFAOYSA-N 406.429 5.327 0 40 HKAB Cc1cc(SCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)nc2c(C)cccc12 3436757 VUGJGJXKFGMJOC-IBGZPJMESA-N 408.567 5.424 0 40 HKAB CCCOc1ccc(/N=c2\ssc3c2-c2cc(C)cc(C)c2NC3(C)C)cc1 4116717 PRFWTDXGDDVMSG-GYHWCHFESA-N 410.608 6.775 0 40 HKAB CCOc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccccc1F 4413533 MXLVFTKILRWTNX-UHFFFAOYSA-N 400.881 5.142 0 40 HKAB Cc1cc(C)cc(OCCOc2cccc(/C=C3/N=C(c4ccccc4)OC3=O)c2)c1 4548945 DLMBNQHYHDOHCS-JJIBRWJFSA-N 413.473 5.106 0 40 HKAB O=C(NC1CCCCCCCCCCC1)N1c2ccccc2Sc2ccccc21 4553349 CXAFHCNBBXDGOM-UHFFFAOYSA-N 408.611 7.672 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1OC 4690929 RDUIQHMUAZSZOW-GQFJFNLSSA-N 415.486 5.248 0 40 HKAB Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)C=C[C@H](c4ccccc4)[C@@H]3C2=O)c1C 4719419 KELPOJPJNQMGFZ-OSNGURLVSA-N 407.513 5.546 0 40 HKAB Clc1cccc(-n2/c(=N\Cc3ccccc3)sc3nc4ccccc4nc32)c1 4853958 CWGFGPUZOIFAIK-ZNTNEXAZSA-N 402.910 5.390 0 40 HKAB S=C(Nc1ccc(Oc2ccccc2)cc1)NN(c1ccccc1)c1ccccc1 5694588 MNQULANGQIRJMN-UHFFFAOYSA-N 411.530 6.519 0 40 HKAB CC(C)(C)c1ccc(OCc2ccc(C(=O)OCc3cn4ccccc4n3)o2)cc1 6262704 ZOHXUSCUZKUHQS-UHFFFAOYSA-N 404.466 5.161 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1cc2ccccc2o1 6356609 GOYMHKLRTUIGTR-UHFFFAOYSA-N 406.511 5.059 0 40 HKAB CCN(CC)c1ccc(NC(=S)NC(=O)c2cc3ccccc3cc2OC)c(C)c1 6629933 KJTLMIQPCPYPFU-UHFFFAOYSA-N 421.566 5.130 0 40 HKAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c(C)c1 6629936 WJXHXIWLDVGOQK-UHFFFAOYSA-N 410.370 5.275 0 40 HKAB CC(=O)Nc1ccc(SCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)cc1 7028141 XYFKZWCYGRXMFD-HSZRJFAPSA-N 409.482 5.684 0 40 HKAB CC[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc(C)cc1 7763785 VLGLMHFTUIJVBH-KRWDZBQOSA-N 412.584 5.010 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 8072222 LBPQAEVIEMFMHM-QHCPKHFHSA-N 412.558 6.182 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(-c3ccco3)n2C)c2ccccc2)c1 8328078 BAIAPVTWEUJQEQ-FQEVSTJZSA-N 418.522 5.164 0 40 HKAB O=C(Nc1ccccc1)c1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 8395422 MTGYJMJNQSVEEW-HSZRJFAPSA-N 414.505 5.047 0 40 HKAB COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1cccc(Cl)c1 8471906 KHGFBAHNZSYEHS-UHFFFAOYSA-N 420.940 5.741 0 40 HKAB Cc1nc(-c2cccc(NC(=O)c3ccc(Cl)cc3N3CCCC3=O)c2)cs1 9255916 HFWAURVCUQSWRR-UHFFFAOYSA-N 411.914 5.151 0 40 HKAB Cc1cc(-c2nc3cccnc3s2)ccc1NC(=O)c1ccc(Br)o1 9403948 NMLPBVNZARDCCH-UHFFFAOYSA-N 414.284 5.275 0 40 HKAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 10321697 XEHGGNJSMDNXBS-UHFFFAOYSA-N 406.489 5.348 0 40 HKAB Cc1cc2oc(C(=O)N(Cc3cccs3)c3ccc(Cl)cc3)c(C)c2cc1C 11914839 AFCCUYJUPZCJIN-UHFFFAOYSA-N 409.938 6.920 0 40 HKAB CC(=O)c1ccc(NC(=O)[C@H](C)SCc2csc(-c3cccs3)n2)cc1 12919363 RPHKVCXAYXVUMM-ZDUSSCGKSA-N 402.566 5.335 0 40 HKAB CC(=O)c1cccc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)c1 13141148 KORUOAJEQFJSDI-UHFFFAOYSA-N 423.925 5.563 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 13991575 ZVYDCNBXCRDKOA-UHFFFAOYSA-N 416.521 5.066 0 40 HKAB CC(C)CCOc1ccccc1C(=O)Nc1ccc(OCCc2ccccc2)cc1 14668964 LRULARZCRBSOLQ-UHFFFAOYSA-N 403.522 5.985 0 40 HKAB C[C@H]1Sc2ccc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)cc2NC1=O 14698599 PXUXDMOFOAHAQX-SNVBAGLBSA-N 415.927 5.149 0 40 HKAB CCOc1ccc(Br)cc1[C@@H]1N=C(O)c2c(sc3c2CC[C@H](C)C3)N1 15947688 JHKXLDHGOQRRPD-DYZYQPBXSA-N 421.360 5.463 0 40 HKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1 17090138 KZHAYBSHPAKIFT-UHFFFAOYSA-N 414.880 5.783 0 40 HKAB COc1cccc([C@H](Nc2nc(-c3ccccc3)nc3ccccc23)c2nccn2C)c1 17591158 VEJHQXKFWDIMLH-QHCPKHFHSA-N 421.504 5.240 0 40 HKAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc(Cl)cc(Cl)c1OC 20141354 SYTZNDFVLSSEKH-UHFFFAOYSA-N 422.264 5.015 0 40 HKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1cc(C(=O)O)c(Cl)cc1Cl 20144903 VVUYKFBWHVXXRB-UHFFFAOYSA-N 422.308 5.757 0 40 HKAB COc1ccccc1CCCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20452600 WXVVEACHKZXPNO-UHFFFAOYSA-N 414.549 5.011 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc(Cl)c(C)c1 21580786 FSNARXLRPWYCTJ-UHFFFAOYSA-N 421.884 5.218 0 40 HKAB CCc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2NCc2ccccc2)cc1 23109723 JSXAEFHNNLCFPR-UHFFFAOYSA-N 416.546 5.551 0 40 HKAB CN(C)[C@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccsc1 25813522 MYKSAWXRIGISTK-OAQYLSRUSA-N 417.534 5.103 0 40 HKAB Cc1ccccc1C1=N/C(=C/c2cc3ccccc3nc2Sc2ccccc2)C(=O)O1 27573030 RNYVRXYIMQOKKY-XQNSMLJCSA-N 422.509 6.039 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)NCCc3csc(-c4ccc(Cl)cc4)n3)oc2c1 28288522 NVQTUEIGAMMTJL-UHFFFAOYSA-N 424.953 6.107 0 40 HKAB Cc1cc(NC(=O)c2ccc(COc3ncnc4ccccc34)cc2)ccc1Cl 28616802 NWFQMXDMRCKGSA-UHFFFAOYSA-N 403.869 5.423 0 40 HKAB CCOc1ccc2ccccc2c1COC(=O)CCc1nc(-c2ccsc2)no1 32777375 XKQVUOBWOBRURI-UHFFFAOYSA-N 408.479 5.026 0 40 HKAB COC(=O)/C=C/c1cc(Br)c(-c2cc(C)c(Br)cc2C)o1 45957938 SOBITNISLZHCJT-SNAWJCMRSA-N 414.093 5.275 0 40 HKAB Cc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3Cl)no2)cc1 46012316 MUERKNPITRMYTM-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB Cc1ccc(C(=O)N(C)c2nc3ccccc3s2)cc1NC(=O)c1ccccc1 47444881 XPWKMFQXEXMQRA-UHFFFAOYSA-N 401.491 5.134 0 40 HKAB O=C(Cc1csc(-c2ccc(Cl)s2)n1)NC1(c2ccc(F)cc2)CCC1 63338789 LKHQYPMGJJRVMR-UHFFFAOYSA-N 406.935 5.402 0 40 HKAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ncccc2C)C12CCCCC2 72401626 QGKYOVWVBVELJU-GHTZIAJQSA-N 405.542 5.070 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc([C@@H](O)c2cccs2)s1 90613639 CSGGDKSMXMPTFD-SFHVURJKSA-N 421.971 5.019 0 40 HKAB Cc1nnc(CNc2nc(C3CC3)nc3scc(-c4ccccc4)c23)n1C1CC1 95467632 ORYFJWJNNMMTSE-UHFFFAOYSA-N 402.527 5.083 0 40 HKAB CC1(C)CC2=NC(Nc3nc4ccccc4s3)=N[C@@H](c3cccnc3)C2=C(O)C1 102668419 ZQNSDFLAANWSIZ-IBGZPJMESA-N 403.511 5.287 0 40 HKAB C[C@@H]1N2[C@@]3(c4ccccc4)O[C@@](c4ccccc4)(c4ccccc43)[C@]12c1ccccc1 104186827 MHVFAOMRYBUSQM-NVUQGDGVSA-N 401.509 5.775 0 40 HKAB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1CCOc1ccccc1Cl 107620743 USIHNVOZSHZUNM-UHFFFAOYSA-N 404.293 5.558 0 40 HKAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCS[C@@H](c2ccco2)CC1 219411780 VYHALGMQRIXKJV-OAQYLSRUSA-N 404.491 5.408 0 40 HKAB CC(C)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222667054 BMQSRRGXAMSZBI-FQEVSTJZSA-N 408.586 5.075 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1COCC(C)C 224454394 KZVDEADTJOYSBD-UHFFFAOYSA-N 421.562 6.271 0 40 HKAB O=C(NCCSc1ccc(Cl)cc1)c1cc(Br)ccc1Cl 225068263 SMFDWFFKEUHYRM-UHFFFAOYSA-N 405.144 5.278 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(Br)ccc1Cl 225071866 SSWUNYWHXKWTHS-UHFFFAOYSA-N 400.703 5.622 0 40 HKAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225450501 GRTPECMGKKVPFF-FGZHOGPDSA-N 422.613 5.117 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C(F)(F)F 225762100 JNCSHQMDISZPCN-UHFFFAOYSA-N 409.423 6.084 0 40 HKAB Cc1ccc(C2(NC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)CCCC2)cc1 225854509 RVNFTBXZSOUAJG-UHFFFAOYSA-N 412.908 6.423 0 40 HKAB Nc1cc(Br)ccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 226347354 SZFHGQIIWAROGS-UHFFFAOYSA-N 416.127 5.805 0 40 HKAB Cc1ccc(OCC(=O)N2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)cc1 257317670 VKRXEAHRNHXCCD-LJQANCHMSA-N 424.928 5.012 0 40 HKAB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccccc1F 408562323 OVTJLMCIXPATKN-NMWGTECJSA-N 409.313 5.732 0 40 HKAB S=C(c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)N1CCCCC1 408578190 WPIMUFROJUAHDM-UHFFFAOYSA-N 414.785 6.387 0 40 HKAB O=C(NC1CCCCCCC1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408618892 HVROJRJWHLJFAR-UHFFFAOYSA-N 408.929 5.672 0 40 HKAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1 408628728 WOWSHTCNNFZGSL-UHFFFAOYSA-N 400.853 5.609 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408639872 GLQYHYACNOUIHG-SECBINFHSA-N 418.107 5.292 0 40 HKAB O=C(Oc1ccc(Cc2ccccc2)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 408657019 IEYKPDAFNRGACL-HSZRJFAPSA-N 421.496 5.389 0 40 HKAB N=C1NC(=O)/C(=C/c2c(OC(=O)c3cccc4ccccc34)ccc3ccccc23)S1 408758881 TXAXUCXYWIMTBY-HMAPJEAMSA-N 424.481 5.351 0 40 HKAB Cc1c(Cl)cccc1NCc1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 409117619 PMVMVGGVTPHEKD-UHFFFAOYSA-N 424.730 7.285 0 40 HKAB CC(C)CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2F)c2ccccc21 409117697 OOHJPUCSCMCTJK-JCMHNJIXSA-N 401.481 5.948 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]21)c1ccccc1 409373983 WJOHIRJIOFEECP-KAHCWPQKSA-N 417.508 5.749 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1 409377458 IHCUFNDRDWAJRD-UHFFFAOYSA-N 418.537 5.504 0 40 HKAB CCCOc1ccc(OC)cc1-c1ccc(C(=O)O)c(COc2ccc(C)c(C)c2)n1 585265955 VGYJWFLLERYTSX-UHFFFAOYSA-N 421.493 5.440 0 40 HKAB C[C@H]1[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)CO2 1903857762 GMBQZIIUCVWOCD-LXOIDOSGSA-N 416.646 5.794 0 40 HKAB CCCOc1cccc(-c2ccc3c(c2)CNCCCCCCCN3C(=O)C(C)C)c1 2037931574 QYYSEGCJTPYPNZ-UHFFFAOYSA-N 422.613 6.185 0 40 HKAB Cc1nccn1[C@H]1C[C@H]2CN(CC3CCCCC3)C[C@H]2C[C@@H]1Oc1ccccc1F 2332242516 FJPZUSHHCNQOTN-UPPNCUKMSA-N 411.565 5.241 0 40 HKAB COc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCCCC2)cc1 935753 YBJRGVCYUGWZOG-QFIPXVFZSA-N 424.566 5.794 0 40 HKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)COc4ccc(C)c(C)c4)c3C)nc2c1 1413944 VJCGRWHALJBHDT-UHFFFAOYSA-N 414.505 6.054 0 40 HKAB COc1ccc([C@H](C)NCC[C@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1 2114760 ZQFNXXNYOCDXTL-RBISFHTESA-N 417.593 6.664 0 40 HKAB biogenic CCCC[C@](CCC(=O)O)(C(=O)OCC)c1csc(Nc2ccc(C)cc2)n1 2208173 TUIOYHLVYKFMEQ-OAQYLSRUSA-N 404.532 5.051 0 40 HKAB COc1ccc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1Cl 2256408 PZHZWDNUAZJQFN-UHFFFAOYSA-N 421.287 5.951 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(c1nc(C)c(C)s1)C3=O 2440074 UHKXPEJICWFQDU-IBGZPJMESA-N 420.465 5.064 0 40 HKAB Cc1cc2oc(=O)c(-c3ccc(Cl)cc3Cl)c(-c3ccccc3)c2cc1Cl 2576867 HOLCMTTWKYWBPT-UHFFFAOYSA-N 415.703 7.396 0 40 HKAB biogenic CCOc1ccc(-n2c(C)c(C(=O)Nc3ccc(C)cc3)c3cc(OC)ccc32)cc1 3165582 QFFAYINDARRKST-UHFFFAOYSA-N 414.505 5.907 0 40 HKAB Cc1ccc(-c2csc3ncnc(Oc4ccc(OCc5ccccc5)cc4)c23)cc1 3300211 WHWAWKNKUSIFSX-UHFFFAOYSA-N 424.525 7.038 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)COc2ccc(Cl)cc2)c2ccccc2)c1 3378255 PWBOOQRGKLAZEX-QHCPKHFHSA-N 423.896 5.259 0 40 HKAB Cc1oc2c(cc(NS(=O)(=O)c3ccc(C(C)C)cc3)c3ccccc32)c1C(=O)O 3656696 QSVJWIOWKPVQDH-UHFFFAOYSA-N 423.490 5.517 0 40 HKAB COc1ccc2c(C(F)(F)F)cc(SCc3cn4cc(C)ccc4n3)nc2c1 4317854 BTROIOHMOXWYSH-UHFFFAOYSA-N 403.429 5.511 0 40 HKAB COc1ccccc1C(=O)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 4591306 UZZDYXKAXHNJKA-YJFHSFOWSA-N 402.450 5.318 0 40 HKAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N2CCCC2)c(Cl)c1 4676410 JNKFNBDUDMHEAT-UHFFFAOYSA-N 413.732 5.573 0 40 HKAB CN1C(=O)[C@@]2(c3ccccc31)c1ccc3ccccc3c1Oc1ccc3ccccc3c12 4838397 CPIBFULKBXXVLI-LJAQVGFWSA-N 413.476 6.410 0 40 HKAB Cc1cc2nc(C3CCN(C(=O)NC45CC6CC(CC(C6)C4)C5)CC3)[nH]c2cc1C 4967201 CJWYLERQMAUBIU-UHFFFAOYSA-N 406.574 5.038 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(c3nc(-c4cc(C)ccc4C)c(C)s3)C(=O)[C@@H]21 5793848 WITBSXWGOHCWRG-JSJNYSNDSA-N 406.551 5.217 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc1Cl 5880274 NXFMMWCABKNEAH-UHFFFAOYSA-N 413.260 6.063 0 40 HKAB CC(C)(C)c1cc([C@H](c2cccs2)c2cc(O)ccc2O)cc(C(C)(C)C)c1O 6313459 WQHQBVAQYDZVJF-QFIPXVFZSA-N 410.579 6.640 0 40 HKAB Cn1c(-c2ccccc2)c(C(=O)CSc2nnc(-c3ccco3)o2)c2ccccc21 6365603 JFLIFMDEMBMSAA-UHFFFAOYSA-N 415.474 5.463 0 40 HKAB Cc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c(Cl)c1 6426296 RXBBQONCNGGMHQ-UHFFFAOYSA-N 418.928 6.066 0 40 HKAB CC(=O)c1cccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)c1 6790425 WLBDJVLWRXSIJQ-UHFFFAOYSA-N 418.518 5.181 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 6962711 OHGCHYGFDYBZMC-UHFFFAOYSA-N 408.910 6.268 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1 7080098 ILVAMMLMZGCZPK-INIZCTEOSA-N 418.468 6.165 0 40 HKAB CCCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 8843939 NSQFRKCGWDGSTJ-HSZRJFAPSA-N 424.504 5.610 0 40 HKAB Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OCN(c1ccc(N(C)C)cc1)C3 8991885 YYDARAWLDVUOSR-UHFFFAOYSA-N 412.489 5.191 0 40 HKAB biogenic O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(-c2cn3ccsc3n2)cc1 9376326 GTCTWIIZFCAKRJ-UHFFFAOYSA-N 416.531 5.368 0 40 HKAB COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1 9379633 DUPVSQVRAXIENY-UHFFFAOYSA-N 418.880 5.037 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2ccc3noc(-c4ccc(Cl)cc4)c3c2)cc1 11689809 UGBLUNXFUKYFAW-UHFFFAOYSA-N 405.841 5.359 0 40 HKAB CSc1ccc(CN(C)Cn2nc(Nc3cccc(F)c3)sc2=S)cc1 12813817 YASHJRPJRQGZOV-UHFFFAOYSA-N 406.577 5.368 0 40 HKAB CCOc1ccc([C@H]2CCCN2CC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 12928355 ULOKERHLXVBTFX-GOSISDBHSA-N 407.341 5.476 0 40 HKAB CCOc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 13518336 IUHPTMZREPSSTH-JOCHJYFZSA-N 409.489 5.412 0 40 HKAB Cc1ccc2c(C(=O)CSc3nnc(-c4ccoc4)c(-c4ccoc4)n3)c[nH]c2c1 13992041 HCNRHSYANWWHPG-UHFFFAOYSA-N 416.462 5.156 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)N(Cc3ccc(Cl)cc3)C[C@@H]3CCCO3)oc2c1 15832019 YFTFUCKYNRIJMM-FQEVSTJZSA-N 411.929 5.833 0 40 HKAB Cc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 17092598 GZHPPSKSIXMDKX-UHFFFAOYSA-N 421.305 5.394 0 40 HKAB COc1ccc(CC/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1OC 18086807 PJTQTJJCCMETPW-SZXQPVLSSA-N 419.908 5.914 0 40 HKAB CC[C@H](C)c1ccccc1O[C@H](C)CNc1cccc(OCCOc2ccccc2)c1 19738417 MYZVDWBHRSEPHR-FCHUYYIVSA-N 419.565 6.537 0 40 HKAB c1nc(N2CCCCC2)c2sc3nc(N4CCCCC4)c4c(c3c2n1)CCCC4 20029203 VGINUKUSRJAMLE-UHFFFAOYSA-N 407.587 5.099 0 40 HKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 20041303 SPICBVBOTSEANE-IFXJQAMLSA-N 404.963 5.378 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CSc3ccc(OC)c(OC)c3)ccc21 20050864 FJKMJTGXEZFDIX-UHFFFAOYSA-N 420.534 5.562 0 40 HKAB O=C1c2cc3ccccc3nc2N[C@@H](c2cccc(Cl)c2)N1c1cccc(Cl)c1 20533938 DBTZIMBSAJRZBI-JOCHJYFZSA-N 420.299 6.313 0 40 HKAB CCOc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cc1 20943363 MWQFFGXRZIOEPI-UHFFFAOYSA-N 412.493 5.257 0 40 HKAB CCOC(=O)c1cc(Nc2cc(Cl)c(OC)cc2OC)c2cc(C)ccc2n1 21657852 ARQSVOCSCYMCCY-UHFFFAOYSA-N 400.862 5.134 0 40 HKAB O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCCCC1)c1cc(-c2ccccc2)on1 28296076 DVARHSQEVMHKGG-QFIPXVFZSA-N 423.944 5.342 0 40 HKAB CN(C)CCSC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2Cl)N(C)C1 31772354 HRCQJFNEZKBERH-FQEVSTJZSA-N 408.398 5.353 0 40 HKAB CC(C)=CCC/C(C)=C\COc1cc2c(C(=O)O)c(C)oc2cc1Br 33343194 YMJQHFZWGRYSNK-JYRVWZFOSA-N 407.304 6.273 0 40 HKAB Cc1ccc(Cn2c(SCc3c(F)cccc3Cl)nc3ccccc3c2=O)cc1 33759840 PQUQYOQQXGVZLD-UHFFFAOYSA-N 424.928 5.838 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 39758593 ZYWLHNKIFGEZQZ-UHFFFAOYSA-N 404.485 5.469 0 40 HKAB CC(C)(C)OC(=O)Nc1ccc(F)c(NC(=O)c2csc(-c3ccsc3)n2)c1 40081884 VWVLPCAVAFEMMO-UHFFFAOYSA-N 419.503 5.610 0 40 HKAB Cc1cccc(C)c1NC(=O)Cn1c(COc2ccccc2Cl)nc2ccccc21 40300854 ANFGIRJMIWHQDU-UHFFFAOYSA-N 419.912 5.524 0 40 HKAB CC(C)[C@H](SC1=Nc2ccccc2CS1)C(=O)N[C@H]1CCOc2ccccc21 43030812 NGDABHCJKQXQJS-ICSRJNTNSA-N 412.580 5.319 0 40 HKAB Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCCc4c(F)cc(F)cc43)c12 48279330 ZMMIKJNAXKBBNQ-UHFFFAOYSA-N 411.433 5.131 0 40 HKAB O=C(c1ccc2oc(-c3cc(Cl)cc(Cl)c3Cl)nc2c1)N1CCCCC1 59843028 YPECDQJVCXIJGU-UHFFFAOYSA-N 409.700 6.081 0 40 HKAB CCCn1cc(-c2nc(-c3ccc(OC(C)C)cc3)no2)c(=O)c2cc(C)ccc21 64963689 BYHHVLDBZSZDIE-UHFFFAOYSA-N 403.482 5.224 0 40 HKAB Cc1ccc(-c2cc3c4nnc(SCc5ccccc5F)n4ccn3n2)cc1C 67260633 QVVOAXKXROPGNU-UHFFFAOYSA-N 403.486 5.092 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(SC)cc3)oc12 67293647 GJAAZSRGNSHSDH-BZZOAKBMSA-N 417.490 5.043 0 40 HKAB CC(C)=CCC/C(C)=C/CC/C(C)=C\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 77922774 FGYKUFVNYVMTAM-WLJDUOTLSA-N 410.642 8.292 0 40 HKAB COc1ccc([C@H]2CC3=Nc4ccc(C)cc4N[C@@H](c4cccs4)C3=C(O)C2)cc1 100427062 UMPKOJHRSSWJMD-GKVSMKOHSA-N 416.546 6.694 0 40 HKAB CCOc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 118916208 SDDXAJAVPWQDGV-HIESWNFHSA-N 408.626 6.872 0 40 HKAB CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1OCC 219278365 DYCCFRZLYMJXMH-UHFFFAOYSA-N 417.505 5.286 0 40 HKAB CCOc1ccc(C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1Cl 222671693 CHBDPPVGSDKQAR-UHFFFAOYSA-N 413.905 5.016 0 40 HKAB Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 222824315 QNJUNFOAXIYBML-SFTDATJTSA-N 409.580 5.515 0 40 HKAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)ccc1Cl 223771774 IXLLMUIYKSHSCM-HNNXBMFYSA-N 403.906 5.355 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccc(Cl)cc1 224498958 STGJOHLJEXPDEE-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1)c1ccc(F)cc1 224882458 ZZGGDZYJNJBSLC-CYBMUJFWSA-N 417.278 5.053 0 40 HKAB CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c2ccccc2O1 225707562 KNLHEKDJKROJNR-MBSDFSHPSA-N 403.522 5.806 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3C)o2)c(N)c1 226348500 MQTLXLFABNDUHM-UHFFFAOYSA-N 415.287 5.251 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)c(N)c3)o2)c(Br)c1 226764302 CJZYBMRWRWDHJM-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB CC(C)NC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 409026532 RNZZVUOXSIRLTQ-LTGZKZEYSA-N 418.924 5.658 0 40 HKAB CCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)cc1 409198675 CUBUWTJQWVGVES-UHFFFAOYSA-N 412.486 5.258 0 40 HKAB O=C1S/C(=C/c2cc(Br)cs2)C(=O)N1c1cccc(Cl)c1 409208055 AMOMAWYCBXLOGU-WUXMJOGZSA-N 400.706 5.405 0 40 HKAB Cc1cccc(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 409382238 QGNKOBYZDLCNTA-UHFFFAOYSA-N 406.334 5.697 0 40 HKAB COc1ccc(CN2CCCCCOc3ccc(C)cc3Cc3cccc(c3)C2)cc1 643580510 YTVLTHFGVNRICZ-UHFFFAOYSA-N 415.577 6.159 0 40 HKAB Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 686711 JOUGKGRCCHVAHJ-UHFFFAOYSA-N 403.429 5.202 0 40 HKAB COc1ccc(Oc2cc(C)nc(SCc3c(Cl)cccc3Cl)n2)cc1 832565 GPSGPOWFJQLHLG-UHFFFAOYSA-N 407.322 6.185 0 40 HKAB CCc1cc2c(=O)c(-c3cc4ccccc4o3)c(C(F)(F)F)oc2cc1OC(C)=O 945297 UWMFZNWGGSWAIG-UHFFFAOYSA-N 416.351 5.713 0 40 HKAB O=C(Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1)c1ccncc1 948532 XTAMZLQCOXSODS-UHFFFAOYSA-N 409.397 5.353 0 40 HKAB CC(C)c1nc(SCC(=O)Nc2nc(C(C)(C)C)cs2)c2ccccc2n1 1342977 KVKDXPJVAWAWAJ-UHFFFAOYSA-N 400.573 5.238 0 40 HKAB COc1c2c(cc3occ(-c4ccc(CC=C(C)C)cc4)c(=O)c13)OC(C)(C)C=C2 1649573 MBKOHMUWTSBESL-UHFFFAOYSA-N 402.490 6.162 0 40 HKAB CCCCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(Cl)ccc4n3)o2)cc1 1790002 BITXTSFDCTVZRN-UHFFFAOYSA-N 405.881 6.856 0 40 HKAB CC(=O)N(CC[C@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccccc1 1790979 UYOWIZWKWSXQHL-HHHXNRCGSA-N 401.550 6.045 0 40 HKAB biogenic O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1c1cccc(Cl)c1 2164896 HSNKBUFTZBSYRK-WQRHYEAKSA-N 416.285 6.494 0 40 HKAB Cc1ccc(C(=O)N2c3c(F)cccc3-c3c(ssc3=S)C2(C)C)cc1 2230082 VYCDKHMSSZRBAR-UHFFFAOYSA-N 401.553 6.549 0 40 HKAB Cc1cccc(-n2nc3c(c2NC(=O)c2cc(Cl)ccc2Cl)CSC3)c1C 3008333 DOQKXUKHAPSGFS-UHFFFAOYSA-N 418.349 5.795 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NC1CCCCCC1 3240073 ORFHLDQGDAFJIC-UHFFFAOYSA-N 418.566 5.137 0 40 HKAB Cc1noc(C)c1CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3 3270947 MKZRIGWPQAMRCW-UHFFFAOYSA-N 415.584 5.349 0 40 HKAB COc1ccccc1/C=C(/C(=O)OCC(=O)c1cc(C)c(C)cc1C)c1ccccc1 3360669 CSLTVRZDTHKFNQ-LFVJCYFKSA-N 414.501 5.587 0 40 HKAB Cc1ccccc1Nc1nc(CSc2nnc(C)n2Cc2ccccc2)cs1 3457280 HQYUVEKDAJKMGF-UHFFFAOYSA-N 407.568 5.436 0 40 HKAB CCc1ccccc1NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2 3671255 OUHZIUQLEPBHIU-UHFFFAOYSA-N 408.523 5.677 0 40 HKAB CCCc1ccc(-c2cc(C(=O)OCC(=O)c3ccccc3)c3cc(C)ccc3n2)cc1 4505682 SVOSPADGGBBSCY-UHFFFAOYSA-N 423.512 6.202 0 40 HKAB CN(C)CCCN(C(=O)c1cc(Cl)sc1Cl)c1nc2ccccc2s1 4585331 VLHOLJATPXCMPR-UHFFFAOYSA-N 414.383 5.263 0 40 HKAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 4699773 ZAQITLMUVLHZIJ-UHFFFAOYSA-N 417.292 6.244 0 40 HKAB Cc1c(C(=O)OCCc2ccccc2)[nH]c2c1C(=O)C[C@@H](c1ccccc1Cl)C2 4911753 NASSJBHVQCYGTA-KRWDZBQOSA-N 407.897 5.289 0 40 HKAB CCOc1cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)ccc1OC(=O)CC 5417081 MZSVNPISHQREQU-RGEXLXHISA-N 421.493 5.043 0 40 HKAB Cc1cccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3ccsc3)C2=O)c1C 5484677 GJENASBJFFHPFA-OAQYLSRUSA-N 410.926 5.139 0 40 HKAB CC(C)(C)c1ccc(/C=C/C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 5903384 OHCMAQUKWOYWFQ-FMIVXFBMSA-N 416.487 5.365 0 40 HKAB COc1ccccc1C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 6580373 MSNGLUKMBHSJHV-UHFFFAOYSA-N 413.502 5.189 0 40 HKAB COc1cccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)c1O 6848440 HBVXKXXAXLVDTR-UHFFFAOYSA-N 412.276 6.061 0 40 HKAB Cc1cc(C)c(NC(=O)COC(=O)CSc2ccc3ccccc3c2)c(Cl)c1 6942339 KBUMPXHDCXPWNA-UHFFFAOYSA-N 413.926 5.384 0 40 HKAB Cc1ccc(Nc2nnc(S[C@H](C(=O)NC3CC3)c3ccccc3)s2)c(C)c1 6975571 SQFWSKKBZJPGGD-SFHVURJKSA-N 410.568 5.011 0 40 HKAB CCn1c(SCC(=O)N[C@H](c2ccccc2)c2cccs2)nc2ccccc21 7153956 UKZFEOUTZUHBDC-OAQYLSRUSA-N 407.564 5.116 0 40 HKAB CCc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2C)CC1=O 7543269 XWZJMMHSLPNOSG-JOCHJYFZSA-N 409.533 5.476 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1Cc1ccccc1 7922513 ZGKMFGZRBUERJD-SFHVURJKSA-N 415.562 5.519 0 40 HKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 8049111 ZZDPHTDHFXJASQ-QFIPXVFZSA-N 422.912 5.066 0 40 HKAB COc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(F)cc1 8497318 KGFOZVNKIQVAQS-KXEBGOAGSA-N 423.572 6.108 0 40 HKAB CCc1ccc2oc(C(=O)NC[C@H](c3ccc(OC)cc3)N3CCCCC3)c(C)c2c1 8613374 ZIQCQUSQSIAMDY-HSZRJFAPSA-N 420.553 5.269 0 40 HKAB O=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1c(F)cccc1Cl 8791306 HHHWMYJKMNEGMA-UHFFFAOYSA-N 412.671 5.012 0 40 HKAB C[C@H](NC(=O)c1ccccc1Cc1ccccc1)c1nc2ccccc2n1C(F)F 9115191 JEMJEYQAXIIXPL-INIZCTEOSA-N 405.448 5.513 0 40 HKAB O=C(CSc1ccccc1F)N1N=C(c2cccs2)C[C@H]1c1cccs1 9503325 HBEXUYXDNROOEI-HNNXBMFYSA-N 402.541 5.419 0 40 HKAB CC(C)c1nn2c3c(nnc2c1-c1ccc(F)cc1)C(=O)C[C@@H](c1cccs1)C3 10156988 NJNIJXVJHISJPP-AWEZNQCLSA-N 406.486 5.028 0 40 HKAB CSc1cccc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 11326417 ZPBJHIGWKDJUDB-UHFFFAOYSA-N 414.530 6.302 0 40 HKAB CC[C@@H](NC(=O)c1sc(NC(=O)c2ccco2)cc1C)c1ccc(Cl)cc1 11739832 MPBLMQXRIYHTHV-OAHLLOKOSA-N 402.903 5.436 0 40 HKAB Cc1nc(COc2cccc(C(=O)Nc3ccccc3Br)c2)cs1 12935272 JJKJRAQTNRVXNB-UHFFFAOYSA-N 403.301 5.045 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(Br)c1 13372401 FULSFZRFGAQQRY-UHFFFAOYSA-N 417.306 6.225 0 40 HKAB Cc1nc(-c2cccc(NC(=O)c3ccccc3SCc3ccsc3)c2)cs1 14082935 HMGLOEJQPHCQDJ-UHFFFAOYSA-N 422.600 6.725 0 40 HKAB Cc1ccccc1-n1ccnc1SCc1nc(N)c2c3c(sc2n1)C[C@@H](C)CC3 14094236 HHSPCIOECASRDD-ZDUSSCGKSA-N 421.595 5.185 0 40 HKAB COc1cc(NC(=O)Nc2ccc(C)cc2)c(C(=O)c2ccccc2Cl)cc1OC 15022404 WQLZMKRMIXBEBX-UHFFFAOYSA-N 424.884 5.541 0 40 HKAB Cc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 16757610 YFVBQTOPGRRCKF-UHFFFAOYSA-N 407.542 6.688 0 40 HKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)C(Cl)(Cl)Cl 17089697 XTAHPWLHSRWTBY-UHFFFAOYSA-N 413.688 5.429 0 40 HKAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4ccccc4OC)CC3)c2)cc1 19691163 AITFMIFSBHWVOP-UHFFFAOYSA-N 416.521 5.094 0 40 HKAB Cc1ccc2c(NC(=O)c3cc(-c4cnn(C)c4C)nc4ccccc34)c(C)ccc2n1 19717440 AMHUXIPLNTTWPI-UHFFFAOYSA-N 421.504 5.361 0 40 HKAB COc1c(C)cccc1C(=O)Nc1ccc2nn(-c3ccc(C(C)C)cc3)nc2c1 20610522 UWHKPZLVEHMMRG-UHFFFAOYSA-N 400.482 5.113 0 40 HKAB CCOc1ccc(-c2cc(C(=O)Nc3ccccc3C(=O)c3ccccc3)no2)cc1 27579960 HDILGYOJYWEKFX-UHFFFAOYSA-N 412.445 5.224 0 40 HKAB O=C(CSc1noc(-c2ccc(Br)cc2)n1)c1ccc(Cl)cc1 28527291 KPZZFKFIKCDYFS-UHFFFAOYSA-N 409.692 5.128 0 40 HKAB COc1ccc(NC(=O)[C@@H](C)SCc2csc(-c3ccco3)n2)cc1Cl 31420923 UYSLBGWJLZJOGH-LLVKDONJSA-N 408.932 5.326 0 40 HKAB CCOc1ccc(C(=O)Nc2cnc(C)n2-c2nc(-c3ccc(C)cc3)cs2)cc1 32508789 PQKRHZAWKRMAFF-UHFFFAOYSA-N 418.522 5.264 0 40 HKAB Cc1noc(C)c1COc1ccc(CC(=O)Oc2ccc(Cl)c3cccnc23)cc1 32666040 UIMNKVXUJATONP-UHFFFAOYSA-N 422.868 5.220 0 40 HKAB COc1ccc(OC)c(CCC(=O)N(C2CC2)[C@@H](C)c2cccc3ccccc23)c1 32832540 CXEUOPVMKOXHMD-SFHVURJKSA-N 403.522 5.542 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c(Cl)c1 34836635 BEMRPQSFEFOTBH-UHFFFAOYSA-N 424.283 6.328 0 40 HKAB CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNc3ccc(F)cc3)cc12 35533869 KZVHZEHWWKNLHU-UHFFFAOYSA-N 424.907 5.416 0 40 HKAB Cc1cccc(C)c1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1 36613601 GWGKXXUEMLSSJA-UHFFFAOYSA-N 410.521 5.535 0 40 HKAB CN(Cc1ccccc1NC(=O)N(Cc1ccco1)Cc1ccco1)C1CCCCC1 40103370 LKGPSSMMKQDDSO-UHFFFAOYSA-N 421.541 5.871 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 44933477 JVMXBSDBIANLDI-MRXNPFEDSA-N 405.369 5.391 0 40 HKAB O=C(Nc1ccncc1Br)c1cc(-c2ccccc2)nc2ccccc12 46085456 WYLMXBUOKFQGPG-UHFFFAOYSA-N 404.267 5.312 0 40 HKAB CCc1cc(CN2CCN(c3ccccc3F)CC2)c(NC(=O)c2ccccc2)s1 54105788 GNUCEBYIESBNIE-UHFFFAOYSA-N 423.557 5.024 0 40 HKAB O=C(Nc1ccc(Br)cc1F)c1cc(-c2cccc3ccccc23)[nH]n1 57413169 XURPLYWSHBYJJR-UHFFFAOYSA-N 410.246 5.384 0 40 HKAB CC(C)(NCc1ccc(OCc2cscn2)cc1)c1ccc(Cl)c(Cl)c1 58171952 CCJVKQPXIOSXTO-UHFFFAOYSA-N 407.366 6.054 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 59344144 BPJSZLGSIVGFRL-UHFFFAOYSA-N 414.933 5.199 0 40 HKAB CN(C(=O)c1ccc(COc2cccc(Br)c2)o1)c1c(F)cccc1F 60543889 HONZHWOCVQUPRM-UHFFFAOYSA-N 422.225 5.176 0 40 HKAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1ccccc1C(=O)c1ccc(Cl)cc1 65575893 KYPZGHGNGUFYRQ-UHFFFAOYSA-N 407.882 5.275 0 40 HKAB CC(=O)C[C@@H](c1ccccc1)c1c(O)c2cccc(OCc3ccccc3)c2oc1=O 65734766 VSDJTMWCGIUVGS-NRFANRHFSA-N 414.457 5.189 0 40 HKAB in-vitro CC(C)n1ncc2c1N=C(O)CS[C@@H]2c1ccc(OCCc2ccccc2)cc1 95476206 XDRJUEHQTKOAOQ-JOCHJYFZSA-N 407.539 5.510 0 40 HKAB CCOC(=O)/C(=C/c1ccc(OCc2ccccc2)cc1)P(=O)(OCC)OCC 104122884 PINJHIYMAJUHJH-PGMHBOJBSA-N 418.426 5.436 0 40 HKAB COc1ccccc1CCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1 218989442 BCNWRZYUNRFXLC-UHFFFAOYSA-N 409.913 5.290 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccccc1Br 222715707 AJNGKGYSZFBILE-UHFFFAOYSA-N 405.144 5.628 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccc(Cl)cc1 224498202 KQWSODFVOZZYBX-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)C1CCCCC1 224556079 JVKTYDCDZSAHDE-UHFFFAOYSA-N 408.523 5.159 0 40 HKAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1CSc1ccccc1 224656293 GGIDGOOWBMGBML-UHFFFAOYSA-N 407.535 5.316 0 40 HKAB Fc1ccc(COc2ccc(CNC(=S)Nc3ccc(Cl)cc3)cc2)cc1 225533159 UXPSZJWINIAHCC-UHFFFAOYSA-N 400.906 5.545 0 40 HKAB Cc1ccc([C@H](NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)C(C)C)c(C)c1 225764448 BDTSLFNAXXGKPP-GOSISDBHSA-N 414.924 6.659 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cn1 225870602 PFPOJOZBQFLLTO-UHFFFAOYSA-N 407.341 6.018 0 40 HKAB O=C(O)c1ccc([C@@H]2CCCN2Cc2cccc(Cl)c2)nc1Cc1ccccc1 257219801 DIFLAZCKRQTNRR-QHCPKHFHSA-N 406.913 5.361 0 40 HKAB CC(C)Cn1c(Cc2ccccc2)nnc1SCc1ccc(Br)cc1 409090980 SBKBRHUWLLCIOJ-UHFFFAOYSA-N 416.388 5.580 0 40 HKAB Cc1cccc(-n2c(SCc3ccccc3F)nnc2-c2ccc(Cl)cc2)c1 409104992 HJKAVYXOISNTES-UHFFFAOYSA-N 409.917 6.328 0 40 HKAB Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(C2CC2)cc1F 473107605 JNAABFZPXJJMPX-UHFFFAOYSA-N 403.404 5.450 0 40 HKAB CC(=O)N1CCC[C@@H]1CCc1ccc(Nc2ncc(-c3ccc(F)cc3)s2)nc1 585262769 DHFQJWPLLGSYTA-LJQANCHMSA-N 410.518 5.031 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(Cl)cc2Cl)cc1C 629227 LAARKEAURNLWBU-QGZVFWFLSA-N 402.368 5.047 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 648853 PUXPOHSFXIMJNA-UHFFFAOYSA-N 403.960 5.263 0 40 HKAB CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC(=O)COc3ccccc3)cc12 708540 DPLVYADYWAAXLO-UHFFFAOYSA-N 413.473 5.434 0 40 HKAB O=c1oc2cc(O)ccc2cc1-c1nnc(Nc2ccc(Cl)cc2Cl)s1 856304 BAIBPOJXVQJGRC-UHFFFAOYSA-N 406.250 5.068 0 40 HKAB biogenic CCOC(=O)c1c(NC(=O)c2c(-c3ccccc3Cl)noc2C)sc(C)c1C 996579 XVAICEHSBQRFFA-UHFFFAOYSA-N 418.902 5.411 0 40 HKAB c1ccc2[nH]c(SCc3ccc(CSc4nc5ccccc5[nH]4)cc3)nc2c1 1102617 AKBOPMDMZRXYQW-UHFFFAOYSA-N 402.548 6.024 0 40 HKAB CC(C)CNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 1308536 GQYAXKNNKIHHEA-UHFFFAOYSA-N 408.527 5.419 0 40 HKAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3F)C3CCCC3)cc2c1 1327638 SRIRPBISNAKODX-UHFFFAOYSA-N 423.488 5.043 0 40 HKAB Cc1cc2cc(CN(Cc3ccco3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2cc1C 1371164 CGFUHEYXLBUPMZ-UHFFFAOYSA-N 419.456 5.111 0 40 HKAB C[C@@H]1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2N1C(=O)c1ccccc1 1381829 FEHLZDLWHOZTGV-OAHLLOKOSA-N 408.860 5.061 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc2oc(-c3ccncc3)nc2c1 1413856 ICCAZXZMLOZORJ-QHHAFSJGSA-N 410.260 5.849 0 40 HKAB O=C(C[C@H](c1ccccc1)[C@H](C(=O)O)c1ccc(Br)cc1)c1ccccc1 1581037 NPAYRKZRMQPFGG-IFMALSPDSA-N 423.306 5.674 0 40 HKAB Cc1cccc(/C=C/C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)c1 1751066 XXTLJNAZVWAYBC-SOFGYWHQSA-N 403.334 6.001 0 40 HKAB Cc1nn2c(Nc3ccc(Br)cc3)cc(C(C)C)nc2c1-c1ccccc1 2223515 ZHXJOBBZDDADMZ-UHFFFAOYSA-N 421.342 6.334 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cccc(C)c2C)cc1 2355438 CFRANJCSIOMMSF-UHFFFAOYSA-N 414.505 5.158 0 40 HKAB Clc1ccc2nc(-c3ccccc3)n(OCc3c(Cl)cccc3Cl)c2c1 3064071 CXZGKPVZMQVLSP-UHFFFAOYSA-N 403.696 6.292 0 40 HKAB Cc1ccc(C(C)C)c(OCc2nc3c4c5c(sc4ncn3n2)CCCCC5)c1 4155114 WKXICHWEPHTODG-UHFFFAOYSA-N 406.555 5.619 0 40 HKAB O=C(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(F)c(F)c1 4167068 LJBONOADEAEOBH-UHFFFAOYSA-N 412.383 5.080 0 40 HKAB COc1cc(CNCc2cccnc2)ccc1OCc1c(Cl)cccc1Cl 4413611 HCBMUCWWWYMITM-UHFFFAOYSA-N 403.309 5.266 0 40 HKAB CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 5092698 ULXVZOXVDHHWGV-FQEVSTJZSA-N 416.352 5.349 0 40 HKAB O=C(O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1)c1c(F)cccc1Cl 5109605 FHETUBCFEFOGNW-IBGZPJMESA-N 401.796 5.155 0 40 HKAB Clc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 5258851 FKVVWSDJQILKQW-UHFFFAOYSA-N 404.947 7.148 0 40 HKAB CSc1ccc(C2=C/C(=C3/N=C(c4ccccc4)OC3=O)c3ccccc3O2)cc1 5354127 WCZFFJLROPLUQX-ATJXCDBQSA-N 411.482 5.557 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccc(OC)c(Cl)c3)c3ccccc3n2)cc1 5917761 XKDLXOMSJMELTB-UHFFFAOYSA-N 418.880 5.825 0 40 HKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)COc1cc(C)c(Cl)c(C)c1 6243351 LGIZXINFAREGQA-ZDUSSCGKSA-N 404.963 5.362 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 6633741 UOPXHSRKSWGSBT-JLHYYAGUSA-N 416.912 5.849 0 40 HKAB CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1 6656604 IRGCOLIAQLTYFR-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1C 6656607 KMGIAEVVGIYBNN-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB CSCC[C@@H](NC(=O)Cc1coc2c(C)c(C)ccc12)c1nc2ccccc2[nH]1 6657665 YQASURSWIXROCQ-HXUWFJFHSA-N 407.539 5.079 0 40 HKAB COc1ccc(-c2c(C)nn3c(C(F)(F)F)cc(-c4ccccc4)nc23)cc1OC 6721568 VGHFQWJXBGIPOF-UHFFFAOYSA-N 413.399 5.408 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1 7080136 XMRBJQWPBFEFIV-SFHVURJKSA-N 402.494 5.470 0 40 HKAB CN(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)[C@@H]1CCCc2ccccc21 7327923 FAMKWGRPMSLOFH-HXUWFJFHSA-N 401.535 5.161 0 40 HKAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc(N2CCCCC2)cc1 7493722 VCBSKDGINKAMIK-OAQYLSRUSA-N 420.582 5.062 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(-c3ccc(OC)cc3)c2)cc1OC 7639524 NUHSUEZXEXDKFS-UHFFFAOYSA-N 407.466 5.030 0 40 HKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)c(C)c1 7928016 PKLXKLVVTBEGOR-IBGZPJMESA-N 400.478 5.087 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8093734 FQBGQEUDWSDHDQ-SFHVURJKSA-N 416.550 5.119 0 40 HKAB O=C(/C=C/c1nc2ccccc2s1)N1CCCC[C@H]1c1nc2ccccc2s1 8232655 JMYMNMPLZYBKAJ-UJGDBWEASA-N 405.548 5.673 0 40 HKAB COc1cccc(CNC23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1Cl 8495556 TZWUNFVFUHJYNJ-UHFFFAOYSA-N 411.973 5.986 0 40 HKAB C[C@H](NCc1cccc(OCc2ccccc2Cl)c1)C12CC3CC(CC(C3)C1)C2 8497374 GUHRWVDMEPPEAT-FJDLLSKQSA-N 410.001 6.614 0 40 HKAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)OCc3ccccc3)cc21 8959961 WRFHGNDZLXGBRO-UHFFFAOYSA-N 410.514 5.233 0 40 HKAB CSc1nc(=O)c2c3c(sc2[nH]1)[C@@H](c1ccccc1)S[C@H](c1ccccc1)C3 9043896 POUIJHJIIZDENG-FUHWJXTLSA-N 422.600 5.827 0 40 HKAB O=C(Nc1nnc(CCCOc2ccccc2)s1)c1c(Cl)cccc1Cl 9095422 KGBSMLHYWYBPJH-UHFFFAOYSA-N 408.310 5.109 0 40 HKAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)Nc1c(F)cccc1F 9335412 ONCYSQKUWOYWIV-UHFFFAOYSA-N 423.488 5.288 0 40 HKAB CSc1ccccc1NC(=O)[C@H](C)Sc1nc(C)nc2sc(C)c(C)c12 9788728 PXHHONCWEFVUMM-LBPRGKRZSA-N 403.598 5.458 0 40 HKAB Nc1c(Cl)cc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1Cl 10431340 QVYORLGGMLLDSG-UHFFFAOYSA-N 410.688 5.455 0 40 HKAB O=C(O)c1cc(-c2ccc(-c3ccc(Br)cc3)o2)nc2ccc(F)cc12 12042425 CEWZQKXFCMCGSM-UHFFFAOYSA-N 412.214 5.762 0 40 HKAB CSCC[C@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C)c1nc2ccccc2[nH]1 12563785 RKBDQJACWJMUJS-VQTJNVASSA-N 415.990 5.567 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)CN4CCCC4)cc3)cc(-c3ccccc3)c2c1 12759395 CHSMPIUZXLPBGT-UHFFFAOYSA-N 421.544 5.912 0 40 HKAB CC(C)COc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 12856643 AWFVJBBVTJMGCL-UHFFFAOYSA-N 402.450 5.488 0 40 HKAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1SC(F)F 13007955 JPYHXAZHOYVCBU-UHFFFAOYSA-N 422.541 5.053 0 40 HKAB COc1ccccc1C(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(C)cc1 13714934 DCMNTCNHOFCVED-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)c1 17093074 XYHAPGKVVMFZEI-UHFFFAOYSA-N 422.484 6.282 0 40 HKAB CC(=O)N1CCc2cc(NCc3nc4ccccc4n3[C@@H](C)c3ccccc3)ccc21 19459510 GALPSWZJXNPPRZ-SFHVURJKSA-N 410.521 5.167 0 40 HKAB CCOc1ccc(N[C@@H](c2ccccc2)c2cc3cc(OC)ccc3[nH]c2=O)cc1 19533541 SEOFJAWMJNUXSH-DEOSSOPVSA-N 400.478 5.137 0 40 HKAB CC(C)c1ccc(OCc2cc([C@H]3CCN(C(=O)CCc4ccccc4)C3)n[nH]2)cc1 19696263 FHHCZBCVAWRQJS-QFIPXVFZSA-N 417.553 5.061 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 20241894 ZCRHRXJRKWAJCU-UHFFFAOYSA-N 418.968 6.047 0 40 HKAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)C1C[C@@H]2CCC[C@H](C1)C2=O 24015609 YPWMAJREMJDBOQ-FOSCPWQOSA-N 409.338 5.451 0 40 HKAB OCCCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc(Cl)cc1 27525653 YMXIUNPZVQSHGO-PYCFMQQDSA-N 413.757 5.792 0 40 HKAB Cc1nn2c(Nc3ccc(Cl)cc3)cc(-c3ccccc3)nc2c1-c1ccccc1 27584982 WEULBJYSIUTULJ-UHFFFAOYSA-N 410.908 6.769 0 40 HKAB CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCCCC1 28293412 CMKQAMKKFCKWOA-DEOSSOPVSA-N 422.613 5.730 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 38497450 OYXZMSRRJOYLLO-JNYJZVOVSA-N 402.663 6.360 0 40 HKAB biogenic,in-vitro C[C@H](OC(=O)c1cc(-c2ccccc2Cl)on1)c1nc2ccccc2n1C(F)F 40086810 AZBWHPFQYVEEBY-NSHDSACASA-N 417.799 5.658 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875337 SLEYPZFMTCVCPR-AREMUKBSSA-N 416.565 5.300 0 40 HKAB CCOC(=O)c1c(NC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)sc2c1CCC2 102443625 QQUITJMKNQXIMQ-CVRONBDISA-N 401.572 5.349 0 40 HKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(O)c(OC)c1 102788854 HTYLMSMBCYJDMK-DEOSSOPVSA-N 420.509 5.603 0 40 HKAB CC(C)C[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 216158782 RCSICXHJKIEZKA-QGZVFWFLSA-N 410.739 5.385 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)CSCc2ccc(Cl)cc2F)cc1C(C)C 223379888 DUDTWCUMUVSWIW-HNNXBMFYSA-N 423.981 6.030 0 40 HKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 224185133 SKCNTPVNGITURY-RUZDIDTESA-N 420.597 5.021 0 40 HKAB Cc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224201301 OTQNTDXQIOKUPW-JOCHJYFZSA-N 422.613 5.241 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1cccc(OC)c1 224586574 SBKCVJDOLFSVTI-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB COc1ccc(-c2nnc(NC(=O)CCCSc3ccc(Cl)cc3)s2)cc1 224804141 RETOOJMYAWHGDY-UHFFFAOYSA-N 419.959 5.378 0 40 HKAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)cc2)n1 225288076 HPNVDVSSLZPJJU-UHFFFAOYSA-N 413.546 5.952 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=O)CCc1c(Cl)cccc1Cl)CC(C)(C)O2 225361236 YDOGSMCUBNOMMJ-GOSISDBHSA-N 408.325 5.353 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@H](CC(C)C)c2ccccc2)cc1Cl 225495029 GMQMFJCNIUMEOU-LJQANCHMSA-N 404.963 5.591 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225679306 CDRPHKKRADYVLU-LJQANCHMSA-N 412.555 5.069 0 40 HKAB CCOc1ccc([C@@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1OCC 225749655 IVRGEGAROIIPCT-CYBMUJFWSA-N 412.477 5.550 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2cccnc12 225874671 FLYWVCVAQBFYFC-UHFFFAOYSA-N 422.500 5.096 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)c2nc(N)sc2c1 226312112 AACCDYCCCJWXEP-SSDOTTSWSA-N 416.717 5.245 0 40 HKAB CC(C)(C)OC(=O)N1[C@H](c2ccccc2Br)C[C@]2(C)C=CCCC[C@H]12 254286840 FLESWKCEYYVPIZ-WFXMLNOXSA-N 406.364 6.246 0 40 HKAB C[C@@H]1C/C(=C\c2cccs2)C2=NN(C(=O)c3ccncc3)[C@H](c3cccs3)[C@H]2C1 254616143 DBOVRNHDBFCWEW-PITKDEPYSA-N 419.575 5.887 0 40 HKAB Cc1ncsc1C(=O)N1CCCC[C@H]1c1ccc(Cc2ccccc2Cl)nc1 257317527 VKCVMHRNIPHGFE-FQEVSTJZSA-N 411.958 5.458 0 40 HKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 408674905 DUVIRHPBLCHMOB-UHFFFAOYSA-N 412.489 5.443 0 40 HKAB CCOc1ccc(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 409112621 FGSUHXADKFYESR-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB COc1cc(CNc2ccccc2C)cc(Cl)c1OCc1cccc(Cl)c1 409116234 JSVVLIUPRNXTRR-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB CCCCCN1C(=O)S/C(=C\c2cn(Cc3cccc(F)c3)c3ccccc23)C1=O 409209092 FULCFCMAKSBATN-HMAPJEAMSA-N 422.525 6.055 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 917737 VTWOPKAASBWZLX-UHFFFAOYSA-N 402.475 5.415 0 40 HKAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)c1 959337 KTXJDSMSHWIZCL-UHFFFAOYSA-N 407.322 5.751 0 40 HKAB Cc1ccc(NC(=O)c2c(NC(=O)c3cccc(C)c3)sc3c2CCCC3)cc1 1080989 GEFCSBCIYGTQOX-UHFFFAOYSA-N 404.535 5.748 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cc1Br 1095824 QXAGCOWWUBCINZ-UHFFFAOYSA-N 419.500 5.126 0 40 HKAB CCCc1nc2sc3c(S[C@@H](C)C(=O)OCC)ncnc3c2c2c1CCCC2 1295706 NNTVLCLXXWPPQQ-LBPRGKRZSA-N 415.584 5.115 0 40 HKAB CC(=O)N(c1ccccc1)c1ccc(-c2ccc(N(C(C)=O)c3ccccc3)cc2)cc1 1691759 RMCXRYJLVNNIHW-UHFFFAOYSA-N 420.512 6.723 0 40 HKAB Cc1ccc([C@@H](CCCNCc2ccc3c(c2)OCO3)[C@@H]2CCOC(C)(C)C2)cc1 1821337 LXJMHRPUYRUYNE-DHIUTWEWSA-N 409.570 5.583 0 40 HKAB biogenic Cc1ccc(Nc2ccccc2C(=O)N(C2CCCCC2)C2CCCCC2)c(C)c1 2060445 TYNXDONKCGKHHR-UHFFFAOYSA-N 404.598 7.155 0 40 HKAB CC(C)(C)[C@@H]1CCc2nc3sc4c(O)cc(=O)[nH]c4c3c(-c3cccs3)c2C1 2217766 QOULOHIXBFQYGE-LLVKDONJSA-N 410.564 5.723 0 40 HKAB CC(=O)c1cccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 2647130 CVCIIQBVBQMBGS-JOCHJYFZSA-N 420.896 5.043 0 40 HKAB O=C(CSc1ncnc2c1oc1ccccc12)Nc1cccc(C(F)(F)F)c1 2722808 YCGQCYIOIJIETG-UHFFFAOYSA-N 403.385 5.126 0 40 HKAB CCOc1ccc([C@H]2C[C@@H](c3ccccc3OC(F)F)n3ncnc3N2)cc1Cl 2918270 IHUYCCOTZFHFRJ-CVEARBPZSA-N 420.847 5.078 0 40 HKAB Brc1ccc(-c2nnc3c4ccccc4nc(Oc4ccccc4)n23)cc1 3063650 YNCXKYPQLIMTLY-UHFFFAOYSA-N 417.266 5.499 0 40 HKAB Cc1ccc(CSc2nnc(-c3cc(-c4cccs4)nc4ccccc34)o2)cc1 3296135 QJLDGWVPAFNPCR-UHFFFAOYSA-N 415.543 6.614 0 40 HKAB Cc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc3cccc4c3c2CCC4)cc1 5234166 POAOIGBCQILZCI-QHCPKHFHSA-N 409.576 5.073 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 5662873 RDUKINRDNXZFDU-GOSISDBHSA-N 423.597 6.591 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Oc3cccc4cccnc34)cc2)cc1OC 5745388 IMGLIJIZXVFVFT-UHFFFAOYSA-N 400.434 5.297 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccc(Cl)c4Cl)ccc3o2)cc1C 6215906 WWVYUQGTERITQH-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB Cc1cc(OCCn2cc(C(=O)COc3ccccc3)c3ccccc32)ccc1Cl 6255576 YUJMFUUCHRBJAX-UHFFFAOYSA-N 419.908 5.944 0 40 HKAB COc1cc(C)c(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1OC 6258867 ZVBIQUQWBLWQDN-UHFFFAOYSA-N 419.506 5.179 0 40 HKAB Cc1ccsc1C(=S)Nc1ccc(Cl)c(C(=O)OC(C(C)C)C(C)C)c1 6491642 QMPGAEJMXZSJEF-UHFFFAOYSA-N 410.004 6.335 0 40 HKAB Cc1ccc(NC(=O)Cc2nc(-c3cc(C)n(Cc4ccco4)c3C)cs2)cc1 6671362 FFJCQPSLOGBHMN-UHFFFAOYSA-N 405.523 5.359 0 40 HKAB O=Cc1cn(CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c2ccccc12 6740936 QZARWJZBXGMVFL-UHFFFAOYSA-N 412.533 5.560 0 40 HKAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(OCCC(C)C)c1 6752956 WNOFILFJNBNDKL-XMMPIXPASA-N 419.525 5.162 0 40 HKAB O=C(CSc1ccccc1)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 6919198 UUYJGZFWDYWWQM-HSZRJFAPSA-N 410.466 5.269 0 40 HKAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(NC(=O)c2ccco2)cc1 8146631 SVRLWTKKOVIAMI-UHFFFAOYSA-N 403.482 5.165 0 40 HKAB CC(C)COc1ccccc1C(=O)Nc1ccc(OCCOc2ccccc2)cc1 8162428 FYBQPBBSIXKRKV-UHFFFAOYSA-N 405.494 5.432 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 8335560 FVJZBKAEKDWUBA-UHFFFAOYSA-N 413.304 6.115 0 40 HKAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl 8496852 JCJRYAKOGLJODR-IBGZPJMESA-N 412.382 5.509 0 40 HKAB Cc1cccc(C)c1OCC(=O)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 8915471 BZNWEPAHFWANMO-IBGZPJMESA-N 422.352 5.197 0 40 HKAB Cc1ccc(CSc2nc(CC(=O)Nc3nc4ccccc4s3)cs2)cc1 8936712 WEGFJTIYDJNDKW-UHFFFAOYSA-N 411.577 5.535 0 40 HKAB CCn1c(CSc2nccc(C)n2)nc2cc(NC(=O)c3ccccc3C)ccc21 8992803 PFEDFHQMMZCAFR-UHFFFAOYSA-N 417.538 5.008 0 40 HKAB CCCCC[C@@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 9355608 IEWCDHIFBFMGQW-IQGLISFBSA-N 417.553 5.188 0 40 HKAB O=C(Cc1cccc2ccccc12)Nc1nc(-c2cc(Cl)sc2Cl)cs1 9363759 KZUUZKVHISGXFJ-UHFFFAOYSA-N 419.358 6.513 0 40 HKAB O=C(NC1CC1)c1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1 9586512 DZQBEPWBZARUBL-UHFFFAOYSA-N 415.276 5.398 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cccc(Cl)c3)ccc2C)cc1 10359575 YQSXTDUCXRLATE-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(CSc1nnc(-c2cccnc2)n1C1CC1)c1cc(Cl)sc1Cl 12620143 QPYVORCLVNEBIP-UHFFFAOYSA-N 411.339 5.018 0 40 HKAB O=C([C@@H]1Cc2ccccc2O1)N(c1ccc(Cl)cc1)c1nc2ccccc2s1 12762408 JPEYKGFPWATIPI-IBGZPJMESA-N 406.894 5.618 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccnc1N1CCCC1 14070355 UFZSPUUFOQFYGP-UHFFFAOYSA-N 400.507 5.211 0 40 HKAB O=C(N[C@H](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1)c1ccccc1Cl 14598166 XSWOYSLTOJPIPW-PMOQBDJRSA-N 424.972 5.382 0 40 HKAB CCOc1ccccc1-c1nc(CC(=O)Nc2ccc(C)c(C(F)(F)F)c2)cs1 14801085 IDPVRAFNVRINDZ-UHFFFAOYSA-N 420.456 5.717 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)c2cc(C(C)(C)C)nn2C)n1 19691310 XTFICUSWWGXFNZ-NRFANRHFSA-N 420.532 5.204 0 40 HKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 20454147 YTUYAIKBIXSJMO-VWLOTQADSA-N 421.512 5.495 0 40 HKAB CC1(C)CC(=O)c2c(Nc3cc(Cl)cc(Cl)c3)nn(-c3ccccc3)c2C1 20672098 UEJKOFSMCIHCQA-UHFFFAOYSA-N 400.309 6.078 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1cnc2scc(-c3ccc(C)cc3)n2c1=O 20768230 HNSKDMOBYNJWKD-UHFFFAOYSA-N 417.534 5.109 0 40 HKAB O=C1C2=C(c3ccccc3CC23CCCCC3)N2CCCN=C2N1Cc1ccccc1 20790190 CNTBEKAKKACMIX-UHFFFAOYSA-N 411.549 5.008 0 40 HKAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccccc1Br 21305257 IWMQCXXZWXCMOQ-ZDUSSCGKSA-N 417.278 5.053 0 40 HKAB O=C(COc1ccccc1-c1nc(-c2ccccc2)no1)Nc1ccc(Cl)cc1 21524570 STOZTNPVXXHCQB-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB CCCN(C(=O)c1ccc(C)nc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 23448035 KSUBHWHXDRLVHF-UHFFFAOYSA-N 406.338 5.877 0 40 HKAB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 36621753 KPMMIZLQECJQJE-AYFZUKJNSA-N 407.554 6.590 0 40 HKAB CN(CCOc1ccccc1F)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 40104426 MWANLKDUBVDALS-UHFFFAOYSA-N 422.460 5.012 0 40 HKAB O=C1C(O)=C(c2ccccc2)[C@H](c2ccc(Cl)cc2)N1Cc1ccccc1Cl 40485336 PZMHRRPXRMFQMH-NRFANRHFSA-N 410.300 6.046 0 40 HKAB Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 44905838 IZGMVUPXYVBPSZ-QGZVFWFLSA-N 419.396 5.700 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078438 DIVZVQVGCNALLE-UHFFFAOYSA-N 404.897 5.494 0 40 HKAB Cc1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc23)c(Cl)c1 49004762 AETBFXVMDISBDF-UHFFFAOYSA-N 408.933 5.660 0 40 HKAB COc1ccc(OC)c(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(-c3ccccc3)cc2)c1 58159649 REVHXXAHXSLHJT-ZWKOTPCHSA-N 404.510 5.049 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2Cl)c(C)c1 67297232 VFJIBPRCNNKFDR-COOPMVRXSA-N 420.871 6.327 0 40 HKAB COc1ccc2oc(/C=C/C(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)cc2c1 67339553 HLSJNYRZADXGKX-VQHVLOKHSA-N 424.909 5.794 0 40 HKAB CCOc1ccccc1NC(=O)CSc1nc2ccccc2nc1-c1ccccc1 95471998 FHUOHFDDJDGMNC-UHFFFAOYSA-N 415.518 5.426 0 40 HKAB O=C(/C(=C\c1ccccc1)c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 96117676 KCPVSXNMBYCWHI-PLRJNAJWSA-N 416.952 5.225 0 40 HKAB COC(=O)/C(=C\Nc1ccc(C(F)(F)F)cc1)c1ncc(C(F)(F)F)cc1Cl 100273620 ZWVVDLMZLNMNPV-WQLSENKSSA-N 424.728 5.399 0 40 HKAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 218882456 RGPIGUJHBNQMAY-MRXNPFEDSA-N 418.375 5.620 0 40 HKAB CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc2O1 223154561 VOQTYRLTGAZKMF-AVRDEDQJSA-N 409.570 5.950 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)/C=C/c2ccc(Cl)cc2Cl)c2ccccc2O1 223295194 BETJFNTZRDKGGH-FMAYLGMYSA-N 404.337 6.205 0 40 HKAB COc1ccc(/C=C(/C(=O)Nc2ccc3c(c2)oc2ccccc23)c2ccccc2)cc1 223428049 GZCDLFFGMNIYKN-KOEQRZSOSA-N 419.480 6.774 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccc(C(C)(C)C)cc1 224180625 FUGQBFLXGIIWCI-UHFFFAOYSA-N 423.940 6.477 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(C)c(Cl)c1 224184069 FHNAWULMLKLMGS-NRFANRHFSA-N 403.950 5.299 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1CSc1ccccc1 224325306 PZBQBVLYPWTWRB-UHFFFAOYSA-N 418.345 6.547 0 40 HKAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(OCc2ccccc2Cl)c1 225008432 CGWSATQDDBSXRC-UHFFFAOYSA-N 422.912 5.008 0 40 HKAB C[C@@H](CNC(=O)c1cc(Br)ccc1Cl)Cc1cccc2ccccc12 225075453 AKVQBDREOWCGBG-CQSZACIVSA-N 416.746 5.864 0 40 HKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1 225844644 OGIFHKOLZBVPTP-UHFFFAOYSA-N 407.551 5.068 0 40 HKAB O=C(O)c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 236464722 QMNCVRLGYOUNBZ-UHFFFAOYSA-N 420.484 5.142 0 40 HKAB CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 256449035 OQMZNAMGEHIHNN-GANAANQTSA-N 410.686 7.721 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2ccc(F)cc2)cc1 408696144 WSLCKMMLPYGZED-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 409044009 NLGVABHFLVSGQZ-QNGOZBTKSA-N 418.493 5.009 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)N1CCC(n2nnc3cc(F)ccc32)CC1 1380776 BLTYAZOUSDVAPG-UHFFFAOYSA-N 415.472 5.106 0 40 HKAB O=C(O[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc2ccccc2n1 1621996 WOKCOSHBOZBKRP-HSZRJFAPSA-N 401.849 5.669 0 40 HKAB CCc1cccc(CC)c1NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1 1777364 BXMFUTGXICRXLW-UHFFFAOYSA-N 401.550 6.155 0 40 HKAB CCOc1ccc(-c2csc(NC(=O)CCCOc3cc(C)ccc3C)n2)cc1 1779166 VRTIMVGTLZQINI-UHFFFAOYSA-N 410.539 5.623 0 40 HKAB Cc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 2194354 VBJCAQPVDRHUSV-IFMALSPDSA-N 418.338 6.254 0 40 HKAB COc1ccc2c(c1)c(C(=O)CN1C[C@@H](C)C[C@@H](C)C1)c(C)n2Cc1ccccc1 2249669 FXYHGMRVYYMCIG-KDURUIRLSA-N 404.554 5.167 0 40 HKAB Cc1ccc(NC(=O)N(CCO[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C2CCCCC2)cc1 2289357 OPEXHECXYNEPKO-SEIBCYHCSA-N 412.618 6.393 0 40 HKAB COc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)cc1 2557638 XRYXKOGBZQGAJU-UHFFFAOYSA-N 416.318 6.854 0 40 HKAB COc1cc(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)ccc1OC(C)C 2617126 XTNOSDXHIGUHCA-UHFFFAOYSA-N 410.510 5.570 0 40 HKAB Cc1cc(C)c2nc(N(Cc3ccccc3)C(=O)CCc3ccccc3)sc2c1 2651104 XRNWJCUJPOIROB-UHFFFAOYSA-N 400.547 6.079 0 40 HKAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(F)ccc4C)c3n2)cc1 2770589 BMWQDIUICBQMEC-UHFFFAOYSA-N 410.399 5.342 0 40 HKAB CCCC[C@@H](CC)COC(=O)C(=Cc1ccccc1)C(=O)OC[C@H](CC)CCCC 4536804 DDRDRGWDSPDASN-FGZHOGPDSA-N 416.602 6.589 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)sc2c1 4644796 JSZNRTGVGUFKNR-UHFFFAOYSA-N 413.329 6.831 0 40 HKAB CC(C)Sc1nc(-c2cc3c(c(SC(C)C)n2)CCCC3)cc2c1CCCC2 4649430 UUVPMOCDZPMGHH-UHFFFAOYSA-N 412.668 6.902 0 40 HKAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)c(C)c1 4703853 PYKBJOIIBREDIS-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB Cc1ccc(NC(=O)NC2(C(=O)Nc3ccc(C(C)(C)C)cc3)CCCCC2)cc1 4965414 GSWGLCYWJUFRSO-UHFFFAOYSA-N 407.558 5.756 0 40 HKAB CC(C)Oc1ccc([C@@H](CCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2)cc1 5296093 MKBOUVHFYGRONB-QFIPXVFZSA-N 417.480 5.431 0 40 HKAB Cc1ccc(-n2c(SCC(=O)O)nc(-c3ccccc3)c2-c2ccccc2)cc1 5588069 OTJOTZAVJDADGQ-UHFFFAOYSA-N 400.503 5.691 0 40 HKAB Cc1ccccc1-c1nc(C(=O)NCCc2ccccc2)cc2c1[nH]c1ccccc12 6090653 SMMYQSJZQJESDF-UHFFFAOYSA-N 405.501 5.664 0 40 HKAB biogenic CCCN1C(=O)S/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)C1=O 6629592 BVSXBYJRZIGJDT-CIAFOILYSA-N 401.491 5.008 0 40 HKAB CCc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)cc1 6732806 ZPEIMHOKQRSTPL-HXUWFJFHSA-N 416.502 5.179 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4C)C3)cc2)cc1 7882391 ODAXYTKAEQMTHI-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB CN(C)C1(CNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CCCCC1 7989088 GHJIYMWSCLZKKX-UHFFFAOYSA-N 421.972 5.550 0 40 HKAB Cc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccc(-c3ccccc3)cc2)cc1 8425212 XEPAFULZACDFSQ-HSZRJFAPSA-N 424.422 5.272 0 40 HKAB O=C(Oc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 8767568 ABBJFFCHYPQRCC-UHFFFAOYSA-N 423.493 6.349 0 40 HKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 9054096 AEXJHHQSJFILFO-OAHLLOKOSA-N 402.450 5.630 0 40 HKAB O=C1Nc2ccccc2/C1=C\c1ccc(OCc2cccc(F)c2)c(Br)c1 9296333 XASIAGYWHIEUJH-WOJGMQOQSA-N 424.269 5.660 0 40 HKAB CC(C)c1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(F)cc3)c3ccccn23)cc1 9317037 FQIRQWFVDKAJCH-UHFFFAOYSA-N 415.468 5.267 0 40 HKAB COc1cc(SC)ccc1C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 9986400 VBURGPLGGGCSDF-LJQANCHMSA-N 422.575 5.522 0 40 HKAB CCOc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 10589332 ABAAYFXABXWOAK-UHFFFAOYSA-N 414.530 6.057 0 40 HKAB CCSc1ccccc1C(=O)Nc1nc(-c2cc3cccc(OC)c3o2)cs1 10748807 BMHOGPJAJPSMAC-UHFFFAOYSA-N 410.520 5.929 0 40 HKAB C[C@H](NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl 10997820 LUZRIYQGHZFJGG-HNNXBMFYSA-N 403.869 5.548 0 40 HKAB COc1ccc(-c2nnc(SCc3nc(-c4cccs4)oc3C)o2)c(OC)c1 11262528 NDACPBKIEDBTIH-UHFFFAOYSA-N 415.496 5.071 0 40 HKAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccc[nH]c1=S 11518446 LMQRXGCTJOOVDP-UHFFFAOYSA-N 403.301 5.039 0 40 HKAB COc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3ccc(F)cc3)C[C@@H]21 12196719 VFMASGKEFJSPMY-NZQKXSOJSA-N 410.395 5.355 0 40 HKAB COc1ccc(OC)c2c(C)cc(SCc3nnc(-c4ccc(C)cc4)o3)nc12 12462089 HMHNLRPQZJMWAK-UHFFFAOYSA-N 407.495 5.211 0 40 HKAB O=Cc1cn(-c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)nc1-c1cccs1 12568331 MPIDFJISGIHJAU-UHFFFAOYSA-N 416.893 5.677 0 40 HKAB Cc1coc2cc3oc(=O)c(CCC(=O)Nc4ccc5[nH]ccc5c4)c(C)c3cc12 12900731 NHHAQONHQKEJMR-UHFFFAOYSA-N 400.434 5.209 0 40 HKAB biogenic O=C1CCc2cc(-c3csc(NC(=O)c4ccc(Cl)c(Cl)c4)n3)ccc2N1 12933856 TXOIBXFRAVVNJO-UHFFFAOYSA-N 418.305 5.254 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 12971719 UXOSKLYAHUOJCG-UHFFFAOYSA-N 414.958 5.989 0 40 HKAB CCOc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)ccc1OC 15016723 TUNILUVCMUTWAA-JPYJTQIMSA-N 406.507 5.398 0 40 HKAB CCCCCOc1ccc(CNc2ccc(OCCOc3ccccc3)cc2)cc1 19738247 LXFBCIQDVXOYRE-UHFFFAOYSA-N 405.538 6.326 0 40 HKAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(-c2cc3ccccc3oc2=O)cc1 20143632 SZBPGOROKONMCD-UHFFFAOYSA-N 419.820 5.064 0 40 HKAB CCOc1cc(/C=C/C(=O)N2CCC[C@@H]2c2ccc(OC)cc2)ccc1OC(F)F 21705582 FHZCPNMZBZXGCS-HBAHQKBISA-N 417.452 5.072 0 40 HKAB Cc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(F)cc3)c3ccccc23)cc1Cl 28535444 GDZMUOOPVXYBKK-UHFFFAOYSA-N 421.859 5.265 0 40 HKAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1ccc(SC4CCCC4)cc1)(C3)C2 30183995 IMPACEYZMGWGIL-ISVJADKWSA-N 412.599 5.135 0 40 HKAB Cc1cccc(C)c1NC(=O)CCCSCc1coc(-c2ccc(Cl)cc2)n1 31423730 FOZAHBCFQNUKMD-UHFFFAOYSA-N 414.958 6.264 0 40 HKAB C[C@@H]1CCc2c(sc3nc(S[C@H](C)c4nnc(-c5ccccc5)o4)nc(N)c23)C1 32739542 IFQAYKAXKRHWGH-VXGBXAGGSA-N 423.567 5.302 0 40 HKAB CCn1c(COc2c(C)cccc2C)nnc1SCc1ccc(Cl)cc1Cl 33598378 XAUIVWVSFASGDR-UHFFFAOYSA-N 422.381 6.093 0 40 HKAB Cn1c(-c2ccccc2)c2c(-c3ccccc3)cc(-c3ccccc3)nc3cccc1c32 35325100 XKQLUGFNZRMEHC-UHFFFAOYSA-N 410.520 7.728 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38849573 JFWNEILVUSAAQD-UHFFFAOYSA-N 411.760 5.806 0 40 HKAB O=C1S/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1c1ccccc1 39795170 HBPVDYCEWSUZIV-PDGQHHTCSA-N 415.392 6.206 0 40 HKAB O=C(N[C@@H](c1ccc(Cl)cc1)c1cccs1)c1cccc(CN2CCCC2=O)c1 48374476 RVZNAYOCWCVXOG-QFIPXVFZSA-N 424.953 5.043 0 40 HKAB CCCOc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1 67288460 NWYXCHMQFFDABH-UHFFFAOYSA-N 421.516 5.401 0 40 HKAB Nc1c(Br)cc2nc(Cc3ccc(Cl)cc3)oc2c1Br 70461413 ZBENOQPRNLPHMP-UHFFFAOYSA-N 416.500 5.179 0 40 HKAB CCc1ccc(N(CC(F)(F)F)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 72427538 XTXWLLHZULWFEZ-UHFFFAOYSA-N 419.468 5.674 0 40 HKAB Fc1ccc(-c2ccc(CNCc3cn4cc(Br)ccc4n3)s2)cc1 95953190 QNVLOJHZSIHAEL-UHFFFAOYSA-N 416.319 5.254 0 40 HKAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C3C4CC5CC(C4)CC3C5)[C@H]2C1=O 100827516 JKIGKXZBOSMTRZ-FAXLWJMSSA-N 419.952 5.323 0 40 HKAB Cc1c(C(=O)N[C@H](CCN2CCCCC2)c2ccccc2)n(C)c2ccc(Cl)cc12 141595992 MCMCXHVIIFCKQH-JOCHJYFZSA-N 423.988 5.487 0 40 HKAB CCc1nc(S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)O)n[nH]1 213390523 YIXJWGRJLONBLE-ZSOIEALJSA-N 410.282 5.152 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C)c1ccccc1 222546709 NQVGBTFSSWOZIP-YVUGPFRESA-N 404.535 5.095 0 40 HKAB O=S(=O)(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Br)s1 223850468 GVZFOUCXAGSSJU-UHFFFAOYSA-N 408.298 5.211 0 40 HKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 224449663 NZHJTVBIEADNMA-XZOQPEGZSA-N 414.509 5.189 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1cc(C)cc(C)c1 224530742 DIWPOTXBWIMRSK-UHFFFAOYSA-N 403.522 6.150 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3ccc4ccccc4c3)ccc21 225157977 OEOSYWZDSDMDEM-OAHLLOKOSA-N 406.507 5.203 0 40 HKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225735253 KICKKGYEGFDKHT-VWLOTQADSA-N 418.622 5.357 0 40 HKAB O=C1CCC[C@]2(CN(Cc3cccc(-c4ccccc4)c3)C[C@H]2c2ccccc2F)N1 257284637 PDOXKSAMJZNTFN-RPLLCQBOSA-N 414.524 5.131 0 40 HKAB O=C(O)/C(Cl)=C(\Cl)C=Nc1ccc(Oc2ccc(Cl)cc2Cl)nc1 257352870 NYIQQSLPBHLHKG-XZAWTJMKSA-N 406.052 5.657 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(Cl)c1N1CCCCC1 408573271 NGMFFFSPRGTHDZ-FYWRMAATSA-N 406.913 6.242 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)cc1OCC 408621657 PBQBTZSAOYVEEE-UHFFFAOYSA-N 407.466 5.537 0 40 HKAB Cc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4)cc3)C(=O)O2)cc1Cl 409198823 FSADWAPAMPUEFY-BKUYFWCQSA-N 417.848 5.212 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cc(Cl)ccc1Cl 848915 DYJZZRVUIGSZFF-UHFFFAOYSA-N 416.695 6.442 0 40 HKAB CCC(=O)Nc1cccc(NC(=O)CSc2nc3cc(C)ccc3cc2CC)c1 1340029 QZMKUPDGSYKZRN-UHFFFAOYSA-N 407.539 5.185 0 40 HKAB O=c1c2cc(F)ccc2c(-c2ccc(F)cc2)nn1-c1ccc(Br)cc1 1396567 KYWJYATUMSISDB-UHFFFAOYSA-N 413.221 5.093 0 40 HKAB O=C(C[C@@H](c1ccccc1)c1cccc2ccccc12)c1ccc(Br)cc1 1646498 DZSMNBIDMCHTGR-DEOSSOPVSA-N 415.330 7.007 0 40 HKAB CCCCCOc1ccc(/C=C/C(=O)Nc2ccccc2C(F)(F)F)cc1OC 1799602 YICQFPHYYDYFNN-ACCUITESSA-N 407.432 5.935 0 40 HKAB Cc1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3ccc(C)cc3C)C2=O)cc1 1809088 PRJHYUNGWYWXPQ-UHFFFAOYSA-N 414.530 5.601 0 40 HKAB Cc1ccc(CSc2nc3ccccc3n2C(=O)c2ccccc2C(=O)O)cc1 2309464 BWUCZURIYQEVNG-UHFFFAOYSA-N 402.475 5.024 0 40 HKAB Cc1ccccc1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 2343848 UKYRWTJOKZXHAC-IFMALSPDSA-N 418.338 6.254 0 40 HKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cn1 2426728 BXTMZTPCBLACOW-LJQANCHMSA-N 423.255 5.245 0 40 HKAB O=C(Nc1ccc2c(c1)OCCO2)c1sc2cc(OC(F)F)ccc2c1Cl 2789887 AUUKRFQEPVNHHJ-UHFFFAOYSA-N 411.813 5.180 0 40 HKAB C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@H](c1cccs1)N1CCCC1 3244368 FDXSPUBLHJZPBW-FDDCHVKYSA-N 406.551 5.496 0 40 HKAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1cc(C)c(C)cc1C 3364774 QIFKALPRXYHXDF-UHFFFAOYSA-N 409.555 5.086 0 40 HKAB CC(C)(C)c1cc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc(C(C)(C)C)c1 4438749 NBFKQUPBUZHOKD-UHFFFAOYSA-N 421.364 6.628 0 40 HKAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 4525285 VWUJTPMAQTUBPO-KDURUIRLSA-N 416.521 5.260 0 40 HKAB CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(C(C)C)cc1 4671160 NBHKKJUEQIBDGY-UHFFFAOYSA-N 411.523 5.177 0 40 HKAB Cc1ccc(C(=O)NC(Nc2ccc(C)c(C)c2)(C(F)(F)F)C(F)(F)F)cc1 4785908 NPOHNBXDCGVCGB-UHFFFAOYSA-N 404.354 5.275 0 40 HKAB Cc1ccc(Cn2c(/C=C/c3cccc(Br)c3)nc3ccccc32)cc1 4813130 GPCAGJLUYOOTSI-BUHFOSPRSA-N 403.323 6.326 0 40 HKAB Cc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2ccccc2)c(C)c1 4890969 XUNVNGVVGNRYGN-UHFFFAOYSA-N 405.567 5.537 0 40 HKAB COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)c1 5217037 GLHGQZPOQWRWTJ-HUVFLSCGSA-N 415.961 5.226 0 40 HKAB Cc1cc(C)c(CSC(C)(C)CNC(=O)c2ccccc2C(F)(F)F)c(C)c1 5378754 VUVXLMVZHRFPGJ-UHFFFAOYSA-N 409.517 6.072 0 40 HKAB CCC(=O)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccc(C)cc4)cn13)CCCC2 5856650 RHKPGPIIXZHLQD-UHFFFAOYSA-N 416.952 6.966 0 40 HKAB CCOc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCCC2)cc1 5959430 RUTINENOWYAQPV-QFIPXVFZSA-N 424.566 5.794 0 40 HKAB CC(C)(C)[P@](=Nc1cccc(C(F)(F)F)c1)(c1ccncc1)N1CCCCCC1 6022914 IFLZFXAGMGTYTK-LJAQVGFWSA-N 423.463 6.848 0 40 HKAB CCCCC(=O)NC(=S)Nc1cc2nn(-c3ccc(CCCC)cc3)nc2cc1C 6264773 PHIPONSTQXIYPK-UHFFFAOYSA-N 423.586 5.075 0 40 HKAB CCOc1ccc(NC(=O)c2nc(SCc3cccc(C)c3)ncc2Cl)cc1 6748164 YBIBKBINHDHXRO-UHFFFAOYSA-N 413.930 5.382 0 40 HKAB C=Cc1ccc(COc2ccc(-c3onc(C)c3-c3ccccc3OC)c(O)c2)cc1 6758937 DWLGLXWPZCMPGO-UHFFFAOYSA-N 413.473 6.253 0 40 HKAB biogenic COc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccccc1 6968326 DIDJASMOFPBKJH-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O 7928100 FEBQJUSGBDODCW-KRWDZBQOSA-N 420.896 5.432 0 40 HKAB Cc1ccc(/C=C/c2nn(-c3ccc(Br)cc3)c3c(=O)ccccc23)cc1 8397888 SZLMPGWYKGNSCM-XNTDXEJSSA-N 417.306 5.627 0 40 HKAB CCCCS(=O)(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N 8426305 REZIXEXATCAAFK-UHFFFAOYSA-N 420.503 5.200 0 40 HKAB OCCN(Cc1ccccc1)c1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 8436005 IDJHYCQTZNFPAL-UHFFFAOYSA-N 420.516 5.086 0 40 HKAB Cc1ccc(C(=O)Oc2ccc([C@@H]3NC(=O)c4c(sc5c4CCCC5)N3)cc2)cc1 8569819 ZOOLAYFSISVKEN-OAQYLSRUSA-N 418.518 5.009 0 40 HKAB CCSc1nc(NCc2cccnc2)c2c3c(sc2n1)CO[C@](C)(CC)C3 8659746 WXEAWZBEKVAMSD-HXUWFJFHSA-N 400.573 5.052 0 40 HKAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc3c(c(-c4cccs4)c12)CCCC3 8818213 SJKOZVRJAZIBOM-UHFFFAOYSA-N 424.978 6.370 0 40 HKAB COc1ccc2nc(NC(=O)c3cccc4c(Br)cccc34)sc2c1 9089875 ZNMZRSQRJIVNHB-UHFFFAOYSA-N 413.296 5.473 0 40 HKAB O=c1c2c3c(sc2nc(SCc2ccccc2F)n1-c1ccccc1)CCCC3 9296212 GLNWNCWLVDBNNG-UHFFFAOYSA-N 422.550 5.757 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc2c(=O)cc(-c3ccc(C(C)(C)C)cc3)oc2c1 9660306 FLRDJLCKTIGSQB-UHFFFAOYSA-N 411.501 6.318 0 40 HKAB biogenic O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1csc(-c2ccsc2)n1 9818836 CXEJEYMTILPEFM-UHFFFAOYSA-N 421.551 5.109 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 10236844 ZEHRBMMNNCGNPK-UHFFFAOYSA-N 407.514 5.815 0 40 HKAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccc(C)cc2C)cc1 11866449 UMVBNGKHVHADDY-UHFFFAOYSA-N 401.462 5.986 0 40 HKAB biogenic C[C@H]1CC2=C(Nc3nnnn3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 12529309 CVSAOCVTLYTXON-HUOXHTIJSA-N 424.335 5.762 0 40 HKAB COc1ccc(NC(=O)[C@@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1Cl 12562351 YXERUFYQISCKFE-GFCCVEGCSA-N 401.919 5.220 0 40 HKAB Cc1ccc2nc(N(Cc3cccnc3)C(=O)Cc3ccc4ccccc4c3)sc2c1 12663819 KEOKNHMTGZCLRD-UHFFFAOYSA-N 423.541 5.929 0 40 HKAB COc1ccc(C(=O)C2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)CC2)cc1 12782008 KXUAWUBZOQMRQC-UHFFFAOYSA-N 410.901 5.099 0 40 HKAB C[C@H]1CCc2nc3ccccc3c(C(=O)O[C@H](C)c3nnc(-c4cccs4)o3)c2C1 12857380 ZHOXXIIDLJKAJX-UONOGXRCSA-N 419.506 5.389 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(COc2cc(Cl)cc(Cl)c2)o1 12915696 JIWQBSMYIRRLOU-UHFFFAOYSA-N 402.237 5.586 0 40 HKAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1cc(Cl)ccc1Oc1ccccc1 14773499 QIIVVWCWXZCHSJ-UHFFFAOYSA-N 418.880 6.359 0 40 HKAB Cc1cccc(Nc2nc(NCc3ccc(F)cc3)nc3c2cnn3-c2ccccc2)c1 17135444 HOYJFFLJSQPXTN-UHFFFAOYSA-N 424.483 5.619 0 40 HKAB CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccc(Br)cc1 19927285 QPZFUSZQARZHPU-UHFFFAOYSA-N 416.344 5.011 0 40 HKAB COc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1-c1ccc(CO)o1 20139011 GHORZLLZQOHPNA-UHFFFAOYSA-N 407.853 5.506 0 40 HKAB COC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccc(F)cc4)o3)sc2c1 20412360 AYVFAPOYBSFCTB-DHZHZOJOSA-N 422.437 5.134 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20481442 KTZNHRHKBRKECZ-SANMLTNESA-N 422.528 6.764 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 21578564 HVWPAZNCWNJXJI-UHFFFAOYSA-N 400.478 6.071 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)cc4)ccc3o2)c1 21579282 DBHMUGHVDNTIFK-KPKJPENVSA-N 404.853 5.809 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)cc1 22533658 FYPDXYHNQSSAPF-VWBBVOOFSA-N 401.506 5.512 0 40 HKAB S=c1sc(SC[C@@H]2CN[C@@H](c3ccc(Cl)cc3)O2)nn1-c1ccccc1 23409327 QGVYENGYDQFOBU-JKSUJKDBSA-N 422.000 5.096 0 40 HKAB Oc1ccc([C@@H]2NC[C@H](c3ccc(Cl)cc3Cl)c3c2[nH]c2ccccc32)cc1 24204162 HEAUFHQJFJNIJJ-GCJKJVERSA-N 409.316 6.005 0 40 HKAB Cc1ccc(N(Cc2cccs2)C(=O)c2oc3cc(C)c(Cl)cc3c2C)cc1 27990365 FTHJVMVTNUVTRP-UHFFFAOYSA-N 409.938 6.920 0 40 HKAB Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc(C(F)(F)F)cc3)o2)cc1C 29247374 JKPCRDUKVQFGLA-INIZCTEOSA-N 416.443 5.787 0 40 HKAB COc1ccc(CCNC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1 29517489 QKPWZPCBOWPCOR-UHFFFAOYSA-N 416.452 5.129 0 40 HKAB Brc1ccc2c(ccn2Cc2ccc(I)cc2)c1 32124750 HGTZXIMQKWAVOY-UHFFFAOYSA-N 412.068 5.057 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38849504 WWMLZYUOWYTXPH-CQSZACIVSA-N 411.760 5.806 0 40 HKAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2cc(F)cc(F)c2)c1OC(C)C 40266293 RIWCEDSWGSKYRB-QGZVFWFLSA-N 413.424 5.070 0 40 HKAB COc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3)=NC23CCCCC3)cc1 45932837 ZFWHXYKDYVJYEK-UHFFFAOYSA-N 412.942 5.282 0 40 HKAB CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1cc(C)c(OC)cc1C)NC2 55008567 UMNFUBGCQCAOLZ-RUZDIDTESA-N 406.526 5.093 0 40 HKAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c(Cl)c1 58306817 KSVQMDWLMAEVOZ-UHFFFAOYSA-N 406.935 5.147 0 40 HKAB O=C1S/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1c1ccccc1 59418137 FTIIHQCNLZRQHO-KGENOOAVSA-N 405.450 5.646 0 40 HKAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cc(Cl)ccc3C)n2)cc1 67257588 XIGKDFIJRQVLII-UHFFFAOYSA-N 413.930 5.153 0 40 HKAB COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)cc1 67258516 JFEPBLWBFNOANX-UHFFFAOYSA-N 422.937 5.399 0 40 HKAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)cc1 67259257 MURFFYRZOYSGLK-UHFFFAOYSA-N 402.494 5.519 0 40 HKAB CC1(C)C[C@H](c2ccccc2)[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 71787245 KZSPFWUYMYGYBL-VKONIRKNSA-N 416.608 8.552 0 40 HKAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 72214547 APBKRMQOYMSBRA-QFIPXVFZSA-N 409.574 5.816 0 40 HKAB Fc1ccc(Cl)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c1 72332659 ZFYRVRUVNSHWPN-UNMCSNQZSA-N 413.279 6.375 0 40 HKAB O=C(CCc1cccc(Cl)c1)N1CCC(c2ccc(Nc3ccccn3)cn2)CC1 72374308 YGUPZXFUPZTMLA-UHFFFAOYSA-N 420.944 5.212 0 40 HKAB Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3cccc4ncccc34)n2)s1 72375742 OSQVHLCXTXCXOU-OAQYLSRUSA-N 401.539 5.475 0 40 HKAB CC(C)c1ocnc1C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 78968727 UCPFSQLRDLYCJA-UHFFFAOYSA-N 412.877 5.025 0 40 HKAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccccc2OCc2ccc(F)cc2)S1 85412354 RWZPEQJKRRWZMG-FQEVSTJZSA-N 411.502 5.362 0 40 HKAB O=C(Nc1nc(-c2c(F)cccc2F)cs1)c1cccnc1SC1CCCC1 89768203 PHPROFNPYQOSGL-UHFFFAOYSA-N 417.506 5.770 0 40 HKAB Brc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](C1CCCCC1)O2 102975501 HQHCOJNMGMIBAG-UNMCSNQZSA-N 411.343 5.899 0 40 HKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3OCc3ccccc3)C2=O)cc1 106701583 YQLNIXQPSDZFEG-HAHDFKILSA-N 415.514 5.811 0 40 HKAB c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)-c2cccc4cccc-3c24)cc1 113978044 YONDEBNCTLTCRE-UHFFFAOYSA-N 404.512 8.974 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1O 214715658 GFHPWWVNOKMXJY-RQZCQDPDSA-N 424.305 5.334 0 40 HKAB CC[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(C)c(C)c1 219265808 QMJLZSXTDWMXSP-VWLOTQADSA-N 419.590 6.356 0 40 HKAB CC(C)c1ccc(CCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 219775838 DWEAYRSEOKBGDA-UHFFFAOYSA-N 421.968 6.405 0 40 HKAB CCOC(=O)c1cccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 219843639 BTAOBLJYQGMFIB-UHFFFAOYSA-N 409.869 5.348 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)c(Cl)c3)N21 222665499 AWSZUYBYEFKXKB-CDHQVMDDSA-N 401.963 5.502 0 40 HKAB O=C(CCc1cccc2ccccc12)N1CCN(c2cccc(C(F)(F)F)c2)CC1 222670370 LUFSPMVWTPTSAP-UHFFFAOYSA-N 412.455 5.140 0 40 HKAB C[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc2c(c1)CCCC2 222958252 LDJCMODIYZEILL-GOSISDBHSA-N 419.952 6.289 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223345238 REOJBBWOFDWEDZ-CLOONOSVSA-N 419.565 6.315 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1c1ccccc1 224153344 KBNXKKNVSJTPEM-DLBZAZTESA-N 416.369 5.083 0 40 HKAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(CSc2ccccc2)cc1 224981144 INRXELRCMHGVMV-UHFFFAOYSA-N 403.532 5.750 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(F)cc2C)cc1 225599531 CLLNXIHUTPIPDC-UHFFFAOYSA-N 421.877 5.389 0 40 HKAB CCOC(=O)c1cc(-c2ccc(C)c3ccccc23)nc2ccc(Br)cc12 226360543 NKJFYHNJIFJYFA-UHFFFAOYSA-N 420.306 6.303 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3C)n2)cc1Cl 408696504 AIBNTYDDPQOLSX-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2cc(C)ccc2C)cc1 408699846 ZSNNYMTWCMXITO-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2cccc(C)c2)c1 408700223 ZSTJQRNQBNGGOV-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CC(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 408734290 WJRLGZWMPIOBOG-QFIPXVFZSA-N 411.332 6.888 0 40 HKAB CSc1ccc(/C=C2/SC(=O)N(CNc3cccc(C(F)(F)F)c3)C2=O)cc1 408972872 HAEYVYNVHGCTKH-CXUHLZMHSA-N 424.469 5.533 0 40 HKAB CCOc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccc(F)cc1 409106979 PKFBYJGSSRUVHW-UCQKPKSFSA-N 421.493 5.889 0 40 HKAB Cc1ccccc1NCc1cc(Br)ccc1OCc1ccc(F)cc1 409113748 FGXSCGBCRVGWKS-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB CC(C)(C)[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)no1 585152215 BFPPYJZQHLENRD-INIZCTEOSA-N 404.297 5.561 0 40 HKAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(c2ccc(Oc3ccccc3F)cc2)C1=O 1615613358 SYQOZQAHGUIVKT-HSZRJFAPSA-N 424.859 5.633 0 40 HKAB O=C(c1cc2cccc(F)c2[nH]1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 2037845717 HCKGWUNNSPQREW-OAQYLSRUSA-N 421.447 5.392 0 40 HKAB O=C(CSCC(=O)Nc1cccc2ccccc12)Nc1cccc2ccccc12 845946 RZPKEALTVTYMLK-UHFFFAOYSA-N 400.503 5.303 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3ccccc3)cc2c1 916768 HKNLGYLBGNOBQG-UHFFFAOYSA-N 417.534 5.083 0 40 HKAB O=C(CSc1ncc(-c2ccc(Br)cc2)[nH]1)Nc1ccc(Cl)cc1 976114 PIDRNDBSEPBONR-UHFFFAOYSA-N 422.735 5.223 0 40 HKAB O=C(OCCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc12)c1cccs1 1912317 NDCWJNQSXMXMPR-UHFFFAOYSA-N 423.925 5.671 0 40 HKAB Cc1ccc2oc(-c3ccc(NC(=O)c4cc(Cl)ccc4Cl)c(C)c3)nc2c1 2056914 BZWWIVCBXYUIRU-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB CCOc1ccc([C@@H](Cc2ccccc2)NC(=O)c2ccccc2F)cc1OCC 2127278 RZARJEDTCYDEOH-JOCHJYFZSA-N 407.485 5.337 0 40 HKAB COc1ccc(OCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 2321631 AUAZFTSKQAPXKH-UHFFFAOYSA-N 400.434 5.035 0 40 HKAB CCc1nc2ccccc2c(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c1C 2663611 VURVZUIGKOPYKG-UHFFFAOYSA-N 415.533 6.193 0 40 HKAB FC(F)(F)c1cccc(-c2nnn3c2nc(NCc2ccco2)c2ccccc23)c1 2692538 KQXNLLIDFUZBTG-UHFFFAOYSA-N 409.371 5.168 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(Nc4cc(C)cc(C)c4)ncnc32)cc1 2714346 NYWDARLRVSHMEY-UHFFFAOYSA-N 404.517 6.756 0 40 HKAB Clc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccccc4)ncnc32)cc1 2714450 HLGIABKXTVQVPZ-UHFFFAOYSA-N 410.908 6.353 0 40 HKAB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccc(C(F)(F)F)cc1 3317919 UCGNASBUANQXDL-UHFFFAOYSA-N 402.441 5.960 0 40 HKAB CC[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1)C(=O)OC 3658667 HIGUHTLHBBEDLO-LJQANCHMSA-N 421.497 5.270 0 40 HKAB COc1ccc(CN(CC[C@@]2(CCC(C)C)CCOC(C)(C)C2)C(C)=O)cc1OC 4073169 IPJPDPQLCHANHD-VWLOTQADSA-N 419.606 5.454 0 40 HKAB biogenic CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CSC3)cc1 4176038 NANYAWSYKDWVPY-UHFFFAOYSA-N 407.539 5.359 0 40 HKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CCCCC2)cc1OC 4353964 YTCOREYOEGHZQK-UHFFFAOYSA-N 422.481 5.221 0 40 HKAB Clc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccccc2)cc1 4675522 HQBOILISPNMVJY-UHFFFAOYSA-N 407.926 5.759 0 40 HKAB COc1ccccc1N1CCN(CCCCCCOc2cccc3ccccc23)CC1 4794503 ZAHKVFNEZRPWEW-UHFFFAOYSA-N 418.581 5.610 0 40 HKAB CSc1nc(NCC(C)C)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 5215672 UEKQUGRGRTWMBO-UHFFFAOYSA-N 400.617 5.717 0 40 HKAB COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)c1 5216184 NIPVKDBKULGGJR-JTHBVZDNSA-N 408.860 5.730 0 40 HKAB COc1ccc(OC)c(/C=C\c2ccc(NC(=O)Nc3ccccc3Cl)cc2)c1 5328970 PMSKMROGBRLPOR-YFHOEESVSA-N 408.885 6.172 0 40 HKAB CC(C)CCCN(CCCC(C)C)C[C@@H](O)c1cc2c(c3ccccc13)CCCC2 5962578 CMRXWGIWQNOVPL-MUUNZHRXSA-N 409.658 6.926 0 40 HKAB CC[C@H](CCNC(=O)Nc1cccc(Cl)c1)NC(=O)Nc1cccc(Cl)c1 6555349 KCLVQGQYMNUSLP-OAHLLOKOSA-N 409.317 5.105 0 40 HKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c(C)c1 6706996 KEYLEIKVYRSFHT-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc(Cl)cc1 6878329 UMRKTGIUXSDTSJ-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB Cc1ccc(N2C(=O)N(Cc3cc(C)ccc3C)c3ccccc3S2(=O)=O)c(C)c1 8024118 OLBYIVHQNIOMOU-UHFFFAOYSA-N 420.534 5.256 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O 8236236 YPMSGRVFJWCXLH-UHFFFAOYSA-N 403.482 5.028 0 40 HKAB CCOc1cc(C(=O)Nc2cccc(SC)c2)ccc1OCCOc1ccccc1 8429189 MQUYIJFDIAITFE-UHFFFAOYSA-N 423.534 5.517 0 40 HKAB Cc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)C[C@@H](c1cccc(Cl)c1)C3 8559455 OBDWQXFZJZXMMJ-INIZCTEOSA-N 405.860 5.410 0 40 HKAB O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8733815 VPGMEQXEEXRTLE-CYBMUJFWSA-N 424.909 5.076 0 40 HKAB Clc1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1 9041959 UQHMNGJFMKQKIA-UHFFFAOYSA-N 400.696 7.001 0 40 HKAB Cc1nc2ccc3nc(NC(=O)c4sc5ccccc5c4Cl)sc3c2s1 9367911 MSARXKDWBRPEFS-UHFFFAOYSA-N 415.952 6.335 0 40 HKAB CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 9707732 OICSVOYXEPKAQQ-UHFFFAOYSA-N 422.531 5.009 0 40 HKAB CC(=O)N[C@H](C)c1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1 9954358 WGVVJVRTPSCATI-CQSZACIVSA-N 405.523 5.023 0 40 HKAB CCCC(=O)N1CCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 12181208 AGCGPRQLXTUWCC-OFQRWUPVSA-N 412.481 5.069 0 40 HKAB CCc1nnc(NC(=O)Cc2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)s1 12634411 KYDHGZKBEDNABZ-UHFFFAOYSA-N 422.941 5.459 0 40 HKAB Cc1csc(SCc2c(C(=O)Nc3ccnn3C(C)C)oc3ccccc23)n1 14111590 ZQGDJNZSYJVXSM-UHFFFAOYSA-N 412.540 5.520 0 40 HKAB Cc1ccc(Cn2nc(C)c3cc(C(=O)N[C@H]4CCOc5ccccc54)sc32)cc1 14129741 UBBYADHADWGVMZ-FQEVSTJZSA-N 417.534 5.017 0 40 HKAB C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CCCC(C)(C)O 14693646 JWUBBDSIWDLEOM-IJIMHRPPSA-N 400.647 6.734 0 40 HKAB O=C1CS[C@H](c2ccccc2)N1c1nc(-c2ccccc2)c(-c2ccccc2)s1 15085254 RIMHCNCDJQRPOU-HSZRJFAPSA-N 414.555 6.256 0 40 HKAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(C)c(Br)c2)s1 15840176 JARZPZWXWXXZQP-UHFFFAOYSA-N 407.358 5.432 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1cc(C)nc(C(C)C)n1)c1ccccc1 16453935 YKHGNOIVHIPJST-QFIPXVFZSA-N 421.566 5.698 0 40 HKAB CCn1ncc(CN2CCCCC[C@@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)c1C 19523958 HSIFCSJTMGZOSV-OAQYLSRUSA-N 424.545 5.001 0 40 HKAB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccnc1Cl 20808397 SMKNCNOFQGQVOH-UHFFFAOYSA-N 405.885 6.227 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 21580610 JTYYTZGTPFOMLU-XNTDXEJSSA-N 411.505 6.014 0 40 HKAB Cc1ccc(C(=O)N[C@H](Sc2ccc(Cl)cc2)C(=O)c2cccs2)cc1 26966998 LDQVGOBIPNDECH-HXUWFJFHSA-N 401.940 5.441 0 40 HKAB Cc1nc(CSCCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cs1 30113738 GKWHIEWGLXHZSP-OAHLLOKOSA-N 417.625 5.091 0 40 HKAB Cc1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H](c3ccccc3)C=C[C@H]2c2ccccc2)c1 32132908 DKOXAZTZHHSMGP-JBXUNAHCSA-N 411.501 5.388 0 40 HKAB Cc1cc(C)c2oc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)cc(=O)c2c1 32622514 QGHSOCSUFUEVGS-UHFFFAOYSA-N 418.518 5.039 0 40 HKAB O=C(COc1ccccc1-c1noc(-c2ccccc2Cl)n1)Nc1ccccc1 33324937 KXKZRJIVGIEYLC-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB NC(=O)c1cccc(Oc2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)c1 40091212 ATJUMGWPHJYYIR-UHFFFAOYSA-N 424.485 5.312 0 40 HKAB COc1cc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c(OC)cc1Cl 44838298 WZJBCUZTPYNUPH-UHFFFAOYSA-N 407.857 5.153 0 40 HKAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cc(-c2ccco2)on1 48325923 HJADMGHXHBDQBZ-UHFFFAOYSA-N 408.285 5.092 0 40 HKAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@H](c3cccc(Cl)c3)N1CC2 57731797 DZRJWVIGUKIGBT-ZEQRLZLVSA-N 406.913 5.429 0 40 HKAB Cc1ccc(N[C@H]2C[C@H](C)N(C(=O)c3ccc(Cl)cc3)c3cc(C)ccc32)cc1 59428156 CPLDFEAZZPSMOQ-MBSDFSHPSA-N 404.941 6.549 0 40 HKAB CCc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)c1 67294846 WVIKFPGORLZGIU-PNHLSOANSA-N 417.896 5.837 0 40 HKAB COc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)c1 67294864 YAHVQCDGEZHJTP-RWEWTDSWSA-N 419.868 5.283 0 40 HKAB C[C@H](CCc1ccccc1)Nc1c(C(=O)N2CCCCC2)cnc2ccc(F)cc12 95471193 DVOSZOANOBBOTC-GOSISDBHSA-N 405.517 5.433 0 40 HKAB OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@H]2c2cccc3ccccc23)CCC1 102615204 WSJUBIBMZDECMF-QFIPXVFZSA-N 407.473 5.945 0 40 HKAB CC(=O)OC1[C@H]2CC[C@@H]1[C@@H]1[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 102983744 SBDFAYSYHLEGJM-GLIKYRIKSA-N 424.966 5.036 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 103718416 WOBXDRXBYDSWRL-SECBINFHSA-N 418.107 5.292 0 40 HKAB CCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](OC(=O)CC)[C@@]4(C)CC[C@@H]32)C1 118918402 ZDDFOEZPFDWEQS-GJCVVKFLSA-N 402.575 5.593 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(OCc2ccccc2)c1 218979313 HAKDLQQWJOLQOX-QHCPKHFHSA-N 417.505 5.306 0 40 HKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCNC(=O)c1ccc(O)cc1 222135408 XCWBOAHOJHPWLA-CGRWFSSPSA-N 409.614 7.268 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)NCCCN1CCCc2ccccc21 222730270 WQETYACHQNPYKW-UHFFFAOYSA-N 423.409 5.186 0 40 HKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1Sc1ccccc1 223174288 HAMLCLMTYGRFDB-SFHVURJKSA-N 403.547 6.123 0 40 HKAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1 224119912 IRNZRYUQEWOGGF-UHFFFAOYSA-N 422.550 5.196 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccccc1C(C)C 224237197 WXZSURZXZCPAPV-GOSISDBHSA-N 421.512 6.028 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccc2ccccc2c1 224639637 ZKWUXXOZOCZOIE-UHFFFAOYSA-N 411.501 6.378 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2cccc(CN3CCCCC3)c2)c1 224698867 CTDSEKHDURAVMS-OAQYLSRUSA-N 408.586 5.188 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COCc1ccccc1 224754205 WFYMBBKRFDFLQN-GOSISDBHSA-N 407.485 5.432 0 40 HKAB CCOc1ccc(-c2cnc(CCC(=O)Nc3cccc(Br)c3)o2)cc1 224857469 PGJCENKUSKEMRL-UHFFFAOYSA-N 415.287 5.074 0 40 HKAB FC(F)(F)c1cccc(NC(=S)NCCSCc2ccc(Cl)cc2)c1 225302084 YZTPNORWDGRFAU-UHFFFAOYSA-N 404.910 5.579 0 40 HKAB CC1(C)C[C@H](NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2O1 225576723 UIDJLCQUUXTDKH-HNNXBMFYSA-N 414.880 5.948 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCSCc2cccc(C)c2)c1 225604444 IMXHNITWNDJKLE-UHFFFAOYSA-N 416.612 5.090 0 40 HKAB COc1ccc(OC)c([C@H](C)NC(=O)CSCc2ccc(Cl)cc2Cl)c1 225655400 KOKOBHBOICJCFP-LBPRGKRZSA-N 414.354 5.121 0 40 HKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225844378 ZUBZJVUOCDXXSO-UHFFFAOYSA-N 403.485 5.910 0 40 HKAB Clc1ccccc1COc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1 226295250 CREICXQBFOSCKL-UHFFFAOYSA-N 411.888 7.394 0 40 HKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1cccc(Cl)c1)C[C@@]2(C)NC(=O)Cc1ccccc1 257226003 FITCBKPNCIOQSU-COPJJLTNSA-N 411.973 5.724 0 40 HKAB Cc1nc(Nc2cncc(C3CCN(Cc4ccccc4Cl)CC3)n2)sc1C 257261681 LIJZPLDCFMYONV-UHFFFAOYSA-N 413.978 5.327 0 40 HKAB COc1ccc2c(c1)CCC[C@@H]1O[C@@H]3c4cc(C(=O)O)ccc4OC(C)(C)[C@H]3C[C@@H]21 257339074 ZACHXYOZTVYHHV-XHRGMSINSA-N 408.494 5.131 0 40 HKAB CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc1 260788394 ZSBYUJJUMMWVLN-JJEOQYAHSA-N 418.566 5.250 0 40 HKAB CCOc1cc(CNc2cccc(C)c2)cc(I)c1OCC 409120475 WDROWUBDCQOBNS-UHFFFAOYSA-N 411.283 5.009 0 40 HKAB CN(C)C(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccc3ncccc3c2)C1 1848351859 GAKBHKGSKFTSLV-IBGZPJMESA-N 415.562 5.141 0 40 HKAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 1848355114 FFFFSXMZGRYQHL-QHCPKHFHSA-N 423.560 5.411 0 40 HKAB CC[C@@H]1CCc2c(sc(NC(=O)c3c(-c4ccccc4)noc3C)c2C(=O)OC)C1 673008 WSXGZXUHMCMJMI-CQSZACIVSA-N 424.522 5.265 0 40 HKAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3c(C)cccc3C)n12 902965 YHZZHPRBJNVXIT-UHFFFAOYSA-N 404.539 5.155 0 40 HKAB O=C1C[C@H](c2ccc(F)cc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21 1258939 AWPURSNZKSCATR-HXUWFJFHSA-N 400.478 6.234 0 40 HKAB aggregator CCCc1nc2sc3c(S[C@H](C)C(=O)OCC)ncnc3c2c2c1CCCC2 1295707 NNTVLCLXXWPPQQ-GFCCVEGCSA-N 415.584 5.115 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3cccs3)C(=O)c3ccco3)cc2c1 1367775 CVCLQHBANMFPEJ-UHFFFAOYSA-N 410.926 6.002 0 40 HKAB O=C1CC[C@H](C(Sc2ccccc2)(Sc2ccccc2)Sc2ccccc2)C1 1569312 USIKWNLYPYOUFY-IBGZPJMESA-N 422.640 7.386 0 40 HKAB C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)OCCC1=CC[C@H]2C[C@@H]1C2(C)C 1648520 DSMACWUWXMGHRZ-UBHSHLNASA-N 417.760 6.340 0 40 HKAB CCC(C)(C)c1ccc(Nc2ccc(Nc3ccc(C(C)(C)CC)cc3)cc2)cc1 1651941 BFPZUVWLYPZRHN-UHFFFAOYSA-N 400.610 8.549 0 40 HKAB O=C(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1cccc(Br)c1 1782056 KXNTUQFDRKOKHK-UHFFFAOYSA-N 421.246 5.442 0 40 HKAB CCCOc1ccccc1NC(=O)/C=C/c1cc(Br)ccc1OCC 1810864 XGARROLXHAHVNE-FMIVXFBMSA-N 404.304 5.289 0 40 HKAB CC(C)OC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C1CCC1 2088974 VWMMYGQUFKJTTP-UHFFFAOYSA-N 422.344 5.481 0 40 HKAB Cc1ccccc1COc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 2406519 JDKFQJLQKWXSKI-UHFFFAOYSA-N 410.391 6.366 0 40 HKAB biogenic Cc1oc2cc(OC(=O)C3CCCCC3)ccc2c(=O)c1-c1nc2ccccc2s1 2421530 LAYJWCYUKALPAL-UHFFFAOYSA-N 419.502 5.864 0 40 HKAB biogenic CCCCCCOC(=O)c1c(N)n(-c2ccc(F)cc2)c2nc3ccccc3nc12 2422060 UXEBYASWDPMANR-UHFFFAOYSA-N 406.461 5.032 0 40 HKAB Cc1cccc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 2585865 QDIMUVCWIVIKLY-QHCPKHFHSA-N 401.462 5.050 0 40 HKAB in-vitro COc1ccc(CCC(=O)N(c2cccc(OC)c2)c2nc3ccccc3s2)cc1 2631994 ZSSOVZMEJCTTTO-UHFFFAOYSA-N 418.518 5.611 0 40 HKAB CCOC(=O)c1c(C)oc2ccc(OC(=O)Nc3ccc(Cl)c(Cl)c3)cc12 3216893 IMFQTNCKZUSADB-UHFFFAOYSA-N 408.237 5.836 0 40 HKAB COc1ccccc1N(Cc1cccc2ccccc12)S(=O)(=O)c1cccs1 3312413 ZOMCSURNSMPPCM-UHFFFAOYSA-N 409.532 5.305 0 40 HKAB Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3ccccc3Br)s2)c1C 4070368 GCXBHCFUOYXOPC-UHFFFAOYSA-N 416.344 5.454 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=S)NC3CCCCC3)C3CCCCC3)cc2c1 4131418 DVBKIBYJDUALJW-UHFFFAOYSA-N 411.615 5.178 0 40 HKAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2C(F)(F)F)CSC3)cc1C 4224474 VZFJRBDPLFYTNV-UHFFFAOYSA-N 417.456 5.507 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4293015 YMMFNKXZULYSOQ-PUYVREBPSA-N 420.678 5.554 0 40 HKAB O=C(Nc1ccc(F)cc1)c1ccccc1N[S@](=O)C12CC3CC(CC(C3)C1)C2 4689886 LOAUZOIZDXJKLM-KESVINFISA-N 412.530 5.122 0 40 HKAB CCc1cc2cc(C)c(C)cc2nc1SCC(=O)Nc1ccc(NC(C)=O)cc1 4849437 FTLYKSBRXNQWHM-UHFFFAOYSA-N 407.539 5.103 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1noc2c1CCCCC2 4881300 MAKOIFRDCDNGEJ-UHFFFAOYSA-N 410.495 5.101 0 40 HKAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc(C)c4)=NN32)cc1OC 5163606 LLRGKPJWNBLBNQ-SQJMNOBHSA-N 400.478 5.255 0 40 HKAB O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccccc2)C1 5410957 JTSGXIFKJJZMBW-PZJWPPBQSA-N 412.558 5.349 0 40 HKAB biogenic,in-vitro O=C(C1CCCCC1)N1N=C2/C(=C/c3cccs3)CCC[C@H]2[C@H]1c1cccs1 5447386 RERCCWDBYQQMRQ-UJEHXYQJSA-N 410.608 6.513 0 40 HKAB FC(F)(F)c1cnc(CSc2nccc(/C=C/c3ccccc3)n2)c(Cl)c1 5515255 FSSKGCVOEKIGHZ-VOTSOKGWSA-N 407.848 6.007 0 40 HKAB COc1ccc(-n2c(SCC(=O)c3cc(F)ccc3F)nc3ccccc32)cc1 6160542 BQIZAPMFQNAXEP-UHFFFAOYSA-N 410.445 5.287 0 40 HKAB COc1ccccc1CNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2C)n1 6174297 ABRMZPSQMSFTBB-UHFFFAOYSA-N 421.500 5.630 0 40 HKAB biogenic CC(C)c1ccc(C(=O)[C@H](C)Sc2nc3ccccc3n2C(C)C)c(C(C)C)c1 6313636 KADJAPBIJMRNKW-SFHVURJKSA-N 408.611 7.228 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1nc2ccccc2s1)c1ccccc1 6566046 IHFKRVDHLUPXRU-JOCHJYFZSA-N 400.528 6.494 0 40 HKAB C[C@H](NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1)c1cc2ccccc2o1 7360015 XLCAGXRIGHCOHU-MAUKXSAKSA-N 405.523 5.057 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCc1ccc(-c2ccccc2)o1 8009792 SPZOEXKBZUKRLU-UHFFFAOYSA-N 413.521 5.340 0 40 HKAB Cc1nnc(SCC(=O)c2c(-c3ccc(F)cc3)[nH]c3ccccc23)n1C1CC1 8071614 XEJLWODALGECNI-UHFFFAOYSA-N 406.486 5.184 0 40 HKAB COc1ccc(NC(=O)c2ccc(CSc3nnc(-c4ccccc4)o3)cc2)cc1 8401737 HPZTZCXSEFZLMD-UHFFFAOYSA-N 417.490 5.290 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C 8499026 HKJMVJHLKQZCPT-QGZVFWFLSA-N 407.897 5.594 0 40 HKAB Cc1cc2oc(C)c(C(=O)OC(C)C)c2cc1NS(=O)(=O)c1ccc(Cl)cc1 8870336 ICAPEJGRIJHOKB-UHFFFAOYSA-N 421.902 5.069 0 40 HKAB Cc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)N2CCCCCC2)nn1 9116634 XGCRSNDTOKWLKV-UHFFFAOYSA-N 424.595 5.070 0 40 HKAB COc1ccccc1Cc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1 9227191 SBLUUOLRFMJXIF-UHFFFAOYSA-N 415.927 5.258 0 40 HKAB COc1ccc(-c2c(C)nn3c4c(cnc23)C(=O)C[C@H](/C=C/c2ccccc2)C4)cc1 9290204 RGBFQHQKGWTMQH-CSHXORCISA-N 409.489 5.172 0 40 HKAB COc1ccc([C@@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 9292720 NODIDDNOQMKCQW-UNMCSNQZSA-N 424.331 6.498 0 40 HKAB Brc1ccc(Cc2nnc(SCc3cccc4ccccc34)o2)cc1 10475621 GQDPLPQNAJJVPV-UHFFFAOYSA-N 411.324 5.868 0 40 HKAB Cc1cc(C(=O)CSc2nnc(C3CCCC3)[nH]2)c(C)n1CCc1cccs1 12104124 PLLOPIBJUSUKFF-UHFFFAOYSA-N 414.600 5.160 0 40 HKAB COc1ccc(OC)c([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccs4)=NN32)c1 12196839 JRXOJSUKFBQUBH-FDDCHVKYSA-N 422.506 5.016 0 40 HKAB O=C(CSc1nnc(Nc2ccccc2F)s1)c1cccc(Br)c1 12618760 CGQXRQIHQZVTKL-UHFFFAOYSA-N 424.320 5.158 0 40 HKAB Cc1ccc(-c2cc(COC(=O)c3c(-c4ccccc4Cl)noc3C)no2)cc1 12725587 OPEIKZFVVCJJFC-UHFFFAOYSA-N 408.841 5.624 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N(C)Cc1ccc(Cl)cc1 13062834 USRIJDPWBJQLHE-QHCPKHFHSA-N 408.929 5.551 0 40 HKAB O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCC[C@@H]1c1nc2ccccc2s1 13068530 MKBMEADOJLTRLT-GOSISDBHSA-N 423.538 5.465 0 40 HKAB COc1ccc(CN(Cc2ccncc2)Cc2ccc3cccc(Cl)c3n2)cc1 13570265 JPYJTGQNFRRYGV-UHFFFAOYSA-N 403.913 5.494 0 40 HKAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccccc1Oc1ccccc1Cl 14673797 LXNXWCFJEXCURI-UHFFFAOYSA-N 422.868 5.459 0 40 HKAB CC[C@H](C)n1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nc2ccccc2c1=O 16798779 CQMPHSCUWZCHMQ-DLBZAZTESA-N 423.582 5.610 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(C)c(C)c3)c2C)cc1C 17082109 OHBGKWRIIDCIHH-UHFFFAOYSA-N 400.953 7.402 0 40 HKAB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 17091365 NRVLZWAWASJIKN-UHFFFAOYSA-N 418.321 5.751 0 40 HKAB Cc1ccc([C@@H](Cc2ccsc2)NCc2cccc(OCc3ccccn3)c2)nc1 19215541 FGGOQWGIFPXPNA-RUZDIDTESA-N 415.562 5.499 0 40 HKAB CC(C)n1c([C@@H](C)NC(=O)Cc2csc(-c3ccccc3)n2)nc2ccccc21 19718760 ZLIGGLKDPQPSNB-MRXNPFEDSA-N 404.539 5.161 0 40 HKAB CC[C@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c1 20611148 DMQWJACPLRPIDS-INIZCTEOSA-N 418.472 5.298 0 40 HKAB COCCCC(=O)Nc1cccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c1 32609585 CVUVDSIIQCOLEH-UHFFFAOYSA-N 406.269 5.076 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2nc(-c3ccccc3)oc2C)c2ccccc2)cc1 32899374 JGCQXCZEQFGJAE-UHFFFAOYSA-N 418.518 5.354 0 40 HKAB O=C(c1ccc2ccccc2n1)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@H]1c1ccco1 34895779 IFGSFQHMGLJNCZ-SWWVQVEHSA-N 423.472 5.858 0 40 HKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 44901294 XGVGLWYCMICMSL-DEOSSOPVSA-N 405.563 6.392 0 40 HKAB COc1cc(Br)c2oc(-c3cc(Br)ccc3Cl)nc2c1 45920298 AOJNAACDJNSTLS-UHFFFAOYSA-N 417.484 5.682 0 40 HKAB CC(C)N(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1 59339804 YAVWTRDLVSYRPC-UHFFFAOYSA-N 400.931 5.360 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)c(C)c2)nc1 67296637 YXJKWXDBZUEGDY-RWEWTDSWSA-N 403.869 5.583 0 40 HKAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(Cl)cc2F)n1 67297958 QJSHWYOZQVUFCT-ROMGYVFFSA-N 423.831 5.119 0 40 HKAB FC(F)(F)Oc1cccc(NC(=S)Nc2ccc(Cl)cc2C(F)(F)F)c1 71760923 PBAFJDFZLOXFBZ-UHFFFAOYSA-N 414.758 6.066 0 40 HKAB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl 101077979 XCHCDIIKUAKUPL-OVCLIPMQSA-N 410.098 5.562 0 40 HKAB CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2Nc2ccc(C)c(C)c2)cc1 101148071 GDHDZFPTFOCNOS-UHFFFAOYSA-N 416.546 5.990 0 40 HKAB O=C(NCCCc1ccc(Cl)cc1)c1ccc(OCc2ccccc2Cl)cc1 218989362 RDGJKXYBMCIBHF-UHFFFAOYSA-N 414.332 5.935 0 40 HKAB CC[C@H](NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)CCCC2 223090909 YRIHJJINHCOHCJ-IBVKSMDESA-N 404.598 5.678 0 40 HKAB Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1 224174524 LEZBOOPCRWHQDZ-RPWUZVMVSA-N 410.546 5.358 0 40 HKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 224198139 RCNYSIMWURIWDP-VWLOTQADSA-N 420.597 5.021 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1CSc1ccccc1 224325793 BSCZYDPEKJMYKV-UHFFFAOYSA-N 401.890 6.032 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccccc1OC 224577224 UIEKQNUUKJUOPZ-UHFFFAOYSA-N 413.420 5.203 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)N1CCC(N2CCc3sccc3C2)CC1 225689082 FYMAZDIERFUDSF-UHFFFAOYSA-N 423.409 5.037 0 40 HKAB O=C(Nc1ccc2sncc2c1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 225906923 WZLVNYAEBZVUBT-AWEZNQCLSA-N 420.365 5.454 0 40 HKAB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 247842154 ONASDRLHBXVPID-BBTQSVATSA-N 402.321 6.077 0 40 HKAB Cc1ccccc1OCC(=O)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257240292 HSWVGWXFTKSFGF-IBGZPJMESA-N 424.928 5.012 0 40 HKAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260812431 BKFREOASLTYGHN-HYBUGGRVSA-N 404.595 5.254 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCCC[C@H]4C)cc3)CCCC2)c1 260816865 RICRTEYNGYTFLJ-JOCHJYFZSA-N 420.597 5.699 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccc(F)cc2)cc1 408697586 IFYYTOCFNOWIEL-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(Cl)cc2)cc1 408699958 XTSYCZOLLBNPOY-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB COc1ccc(/C=C2/N=C(c3sc4cc(C)ccc4c3Cl)OC2=O)cc1OC 408848261 VHFZAXRMRHGSAN-NTEUORMPSA-N 413.882 5.225 0 40 HKAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1 409001745 JZEIKROKUOGSIT-NTKDMRAZSA-N 416.521 5.633 0 40 HKAB Cc1cc(C)cc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c1 919474 MFTCHNAHOWVLKL-YOEHRIQHSA-N 404.392 5.006 0 40 HKAB Cc1cc(N[C@H](c2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)no1 936747 FSCGNFXUARTWQF-JOCHJYFZSA-N 417.534 6.115 0 40 HKAB Cc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 1224260 JIGKBBCEFDSDLA-UHFFFAOYSA-N 417.534 5.137 0 40 HKAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3Cl)C3CCCC3)cc2c1 1366886 XIQITFZTHKHAEJ-UHFFFAOYSA-N 424.928 5.165 0 40 HKAB Cc1cccc(CSc2nnc(-c3cc4c(C(F)(F)F)nn(C)c4s3)o2)c1 1401893 ZTRSQKLNRJCUQG-UHFFFAOYSA-N 410.446 5.304 0 40 HKAB CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCC3 1837053 MZMIAJPXUIHSID-UHFFFAOYSA-N 400.569 5.227 0 40 HKAB Cc1cc2nnc(SCC(=O)c3ccc(-c4ccccc4)cc3)n2c2ccccc12 1927116 GOBUPYYRDYAYBA-UHFFFAOYSA-N 409.514 5.833 0 40 HKAB O=c1cc(-c2ccccc2)c2ccc(OCc3ccc(Br)cc3)cc2o1 1934716 USSVSJIKMCKFGB-UHFFFAOYSA-N 407.263 5.802 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3-c3ccccc3)c3ccccc3n2)cc1 2073044 SKYZAOPAKZCIKG-UHFFFAOYSA-N 414.508 7.130 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1sc2cc(Cl)ccc2c1Cl 2416989 FKAPQFVJZBSPQT-UHFFFAOYSA-N 412.297 7.360 0 40 HKAB O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)c1ccccc1 2448154 NZFHICFLWABVMX-UHFFFAOYSA-N 404.516 5.524 0 40 HKAB CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1cccc(OC)c1 2454198 HOINFRLGPPYMGL-UHFFFAOYSA-N 403.507 5.102 0 40 HKAB COc1ccc(-c2nn(-c3ccc(F)cc3)c(-c3ccc(OC)cc3)c2Cl)cc1 2733566 DAAMNXHJYBNEDT-UHFFFAOYSA-N 408.860 6.016 0 40 HKAB Cn1nc(-c2ccccc2)c([C@@H](O)c2cccs2)c1Sc1ccc(Cl)cc1 3049351 UJCOTVDGPZAAAF-FQEVSTJZSA-N 412.967 6.035 0 40 HKAB CCN(CC)[P@@](=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cc1ccccc1 3122355 LGWFQOPQTAFQFV-NRFANRHFSA-N 411.524 6.308 0 40 HKAB O=C(Nc1ccc2nc(NC(=O)c3ccccc3F)sc2c1)c1ccccc1F 3268675 GXTKSOUPDHNQSP-UHFFFAOYSA-N 409.417 5.079 0 40 HKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)c1 3655495 YSXURSFPNZXRDS-GOSISDBHSA-N 413.473 5.687 0 40 HKAB CCCCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 4282000 SKFGCOYVSPGRHC-XUZZJYLKSA-N 422.912 6.354 0 40 HKAB Cc1ccc(C2=N/C(=C\c3cccc(OCc4ccccc4Cl)c3)C(=O)O2)cc1 4471236 KTPPVKNTDDSINO-HMAPJEAMSA-N 403.865 5.572 0 40 HKAB Cc1ccc2nc(-c3cc(NC(=O)c4ccc(C(C)C)cc4)ccc3Cl)oc2c1 4866709 UESOEWNKUKJKIS-UHFFFAOYSA-N 404.897 6.832 0 40 HKAB O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2Cl)n1-c1ccccc1O 4935592 DOIYAYXEIWUFPJ-ZRDIBKRKSA-N 409.272 5.569 0 40 HKAB Cc1ccccc1-c1ocnc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1 5001970 YZXXMHMPLNUKKG-UHFFFAOYSA-N 403.463 5.216 0 40 HKAB COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)/C=C/c3ccccc3)nc12 5142390 FRMIDKBVKKGCGV-ACCUITESSA-N 415.518 5.255 0 40 HKAB Cc1ccc(C(=O)C[C@H](c2ccccc2)[C@@H](C(=O)OC(C)(C)C)c2ccccc2)cc1 5543468 HOSABUCFAHLBTK-RSXGOPAZSA-N 414.545 6.477 0 40 HKAB COc1ccc(-c2ccc(CCC(=O)O)n2CCOC23CC4CC(CC(C4)C2)C3)cc1 6230615 YPIVMXAGEDMGCV-UHFFFAOYSA-N 423.553 5.166 0 40 HKAB C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)NC12CC3CC(CC(C3)C1)C2 7141476 PMZDFGSXIXROHJ-VALILCMLSA-N 418.912 5.319 0 40 HKAB Fc1ccc(COc2cccc(CNn3c(-c4ccccc4)n[nH]c3=S)c2)cc1 7601489 YSDGKSNRFNBFMQ-UHFFFAOYSA-N 406.486 5.069 0 40 HKAB O=C(/C=C/c1ccc(Br)s1)Oc1ccc(Oc2ccccc2)cc1 7783789 BDJQDICRFJCTNY-ACCUITESSA-N 401.281 5.922 0 40 HKAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 7929495 ULHRTGNTZQGKJS-CQSZACIVSA-N 420.336 5.640 0 40 HKAB CCOc1cc(CNC2CCCCCC2)cc(Cl)c1OCc1ccccc1Cl 8254107 HRMHXWSAOCWKHO-UHFFFAOYSA-N 422.396 6.784 0 40 HKAB CCCOc1ccc(CN[C@H](C)c2ccc(OC)c(Br)c2)cc1OCC 8395697 KIRXEGYOINSXOQ-OAHLLOKOSA-N 422.363 5.496 0 40 HKAB CCOCc1c(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)oc2ccccc12 9448225 UWOJLGVDCBVVJP-MRXNPFEDSA-N 420.534 5.599 0 40 HKAB O=C(c1ccc(-c2ccccc2F)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9451378 UBSZJPSHNYSIEL-LJQANCHMSA-N 407.441 5.224 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1 9630190 BYUUQBVBMIKZAQ-UHFFFAOYSA-N 410.951 6.348 0 40 HKAB Cc1cc(-c2cc(C(=O)Nc3ccc4oc(C)nc4c3)c3c(C)noc3n2)c(C)o1 9709876 DMCVBRHNBBZGAI-UHFFFAOYSA-N 402.410 5.110 0 40 HKAB Cc1sc(NC(=O)[C@@H]2COc3ccccc3O2)c(-c2nc3ccccc3s2)c1C 9762051 XGKRJRQRDLNKHA-KRWDZBQOSA-N 422.531 5.420 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCC(c2c[nH]c3ccccc23)CC1 10140235 BQKQPZJFJFQQJF-OAHLLOKOSA-N 411.933 5.037 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2C)cc1 10314867 VIPSSJDQRUJCEM-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1c(SCc2ccccc2)nc2ccccc21 12625587 GIBQXPZYYHISFD-GOSISDBHSA-N 413.546 5.306 0 40 HKAB Cc1cc(C(=O)COC(=O)Cc2ccc(Cl)cc2Cl)c(C)n1Cc1ccco1 12638203 IDAWHFZWXUYRKV-UHFFFAOYSA-N 420.292 5.022 0 40 HKAB CC(CNC(=O)Cc1csc(-c2ccsc2)n1)(c1ccccc1)c1ccccc1 12816780 DAJPEEFKKUJVKS-UHFFFAOYSA-N 418.587 5.537 0 40 HKAB C[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(C(C)(C)C)cc1 13613263 SEEGFVVSGCQPKM-IBGZPJMESA-N 403.591 6.767 0 40 HKAB Cc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(C)c(C)c2)cc1 13618284 PAENZAKPYFCQJP-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 13926218 FZBAEKMJQKUNNV-MTJSOVHGSA-N 407.828 5.403 0 40 HKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)NC2C3CC4CC(C3)CC2C4)c1Cl 17090868 ZNXUCXBYTDUUCK-UHFFFAOYSA-N 416.776 5.583 0 40 HKAB CCN(CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2c(C)cccc2s1 17287582 UBNXZEQQZVZKGI-UHFFFAOYSA-N 421.610 5.472 0 40 HKAB Cc1nc([C@@]2(O)CCCN(CC(C)(C)C)CC2)sc1COc1ccc(F)c(F)c1 19705278 YFTAVLKRPKMMRV-JOCHJYFZSA-N 424.557 5.028 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 20484849 YCLHKCWNAYNURX-GOTSBHOMSA-N 409.982 6.425 0 40 HKAB O=C(N1CCN(C2c3ccccc3-c3ccccc32)CC1)C12CC3CC(CC(C3)C1)C2 20512718 AIMHLCPTZVRJGS-UHFFFAOYSA-N 412.577 5.117 0 40 HKAB Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C)c1ccc(Cl)cc1 23178242 ZEZBXJRPEYKIOJ-LBPRGKRZSA-N 401.919 5.123 0 40 HKAB COc1ccc(CN(C(=O)c2oc3ccc(F)cc3c2C)c2ccccn2)cc1OC 28251737 OQXQJPOTTVPAES-UHFFFAOYSA-N 420.440 5.140 0 40 HKAB Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccncc2)cc1 28462635 WALXMDGBQSPMDS-PZJWPPBQSA-N 406.283 5.086 0 40 HKAB CC(C)[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc2ccccc2[nH]1 32251925 IHTMJMAUVDKZOJ-NRFANRHFSA-N 407.445 5.001 0 40 HKAB O=C(CCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(Cl)s1 32905087 YPGSYNFKMINZNB-NRFANRHFSA-N 415.967 5.600 0 40 HKAB FC(F)(F)c1cccc(-c2noc(CSc3ccc(-c4ccccc4)nn3)n2)c1 33021879 HFQBTSHEJONDEJ-UHFFFAOYSA-N 414.412 5.505 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)c(Cl)c1 44945703 SSWYVJPOBMRHPF-KRWDZBQOSA-N 412.338 5.680 0 40 HKAB COc1ccc(C(=O)N(C)C)cc1NC(=O)c1cc2sc3ccccc3c2s1 55841558 OUEXGMUKZBWATQ-UHFFFAOYSA-N 410.520 5.079 0 40 HKAB Cc1nc(C)c([C@H](C)N[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 56215038 LTOSBQYZIPUXTI-IONNQARKSA-N 406.766 5.398 0 40 HKAB C[C@H]1CCC[C@H](C)N1C(=O)CNc1ccccc1Oc1ncc(Cl)cc1Cl 71983199 ONHBXOGOLWGJME-KBPBESRZSA-N 408.329 5.382 0 40 HKAB COc1ccc(-c2cccc([C@@H]3CCCN(Cc4ccc(NC(C)=O)cc4)C3)n2)cc1 72349933 YBPZNHKEOJCBRW-JOCHJYFZSA-N 415.537 5.095 0 40 HKAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 84502170 LVXQEAPJRWUFND-HOTGVXAUSA-N 403.429 5.296 0 40 HKAB Cc1cccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C(=O)N(C)C)c1 96037364 VPZVEPMSNKMCCZ-UHFFFAOYSA-N 402.498 5.267 0 40 HKAB COc1ccc(-c2csc(C3=C(O)CN(CCCc4ccccc4)C3=N)n2)cc1 102720040 MLHXCLCMORQLMY-UHFFFAOYSA-N 405.523 5.013 0 40 HKAB COc1cc(C(=S)N2CCCCC2)cc(Cl)c1OCc1ccccc1Cl 107683389 ADUUZRLKLYLFNH-UHFFFAOYSA-N 410.366 5.742 0 40 HKAB CCOC(=O)c1ccc(NC(=O)CSCc2c(F)cccc2Cl)c(Cl)c1 216436408 WKKLFGWDQKWCEM-UHFFFAOYSA-N 416.301 5.181 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219387073 DAWCNCLFUJBDAC-ICSRJNTNSA-N 403.975 5.938 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CCc3ccc4c(c3)OCCO4)ccc21 222641138 IZHXQQOTZCJWOO-UHFFFAOYSA-N 400.478 5.157 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4cc(Cl)ccc4C)o3)N21 222715408 DJEHXVPBGXPVBV-URZJWIJPSA-N 423.969 6.283 0 40 HKAB COc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1Cl 223398633 DDTBGYMUEGOWHH-UHFFFAOYSA-N 404.746 5.319 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 224219828 LTQZDZZFUWQHGG-DNQXCXABSA-N 410.546 5.358 0 40 HKAB COc1cccc(OCc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2OC)c1 224254146 UXSDIQAVTHDIHM-UHFFFAOYSA-N 415.848 5.328 0 40 HKAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225581810 RXWPFIGAEMIPQP-AWEZNQCLSA-N 407.933 5.300 0 40 HKAB COC(=O)c1c(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)sc2c1CCCC2 225644410 WZYADMQZEDJCNC-HNNXBMFYSA-N 415.555 5.251 0 40 HKAB COC(=O)c1cc(NC(=S)NCCCc2ccc(C(C)C)cc2)ccc1Cl 225807066 GQPQUPYGIWNYOT-UHFFFAOYSA-N 404.963 5.169 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OCC)c2)CCC[C@@H](C)C1 225854317 KFYHCWGQWNARAT-HOYKHHGWSA-N 419.562 5.212 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccccc2)c1C 408696567 CHELMNSSSGHCMF-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COc1ccc2c(Cl)c(C(=O)Nc3ccccc3C(F)(F)F)sc2c1Cl 408968952 DNCPPXOVYMHJEV-UHFFFAOYSA-N 420.239 6.488 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2ccccc2F)cc1 409171640 BRCMCRHPEFPHSY-MHZLTWQESA-N 422.503 6.500 0 40 HKAB CC(=O)Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 409178471 JYNIPZCNPNODJE-QFIPXVFZSA-N 407.853 5.079 0 40 HKAB CCCN1C(=O)S/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)C1=O 409245562 VVVMRRYEDUWBIG-HZHRSRAPSA-N 417.530 6.174 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)cc1OC 849028 VLCRSESZQWATDH-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB COC(=O)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2C(C)C)cc1 1431453 DJGIVHJSPKLHEO-QHCPKHFHSA-N 400.478 5.368 0 40 HKAB CC1(C)SC(=S)N(c2ccccc2)[C@@H]1N(O)C(=O)Nc1cccc(Cl)c1 1508083 OCTPFJXBYJBJGY-OAHLLOKOSA-N 407.948 5.206 0 40 HKAB CCOC(=O)c1c(C)c(-c2ccccc2)c(-c2ccccc2)c(C)c1-c1ccccc1 1573402 WNEOWEAJYKIOLA-UHFFFAOYSA-N 406.525 7.481 0 40 HKAB BrC1=C(Br)C2(SCCS2)[C@H]2C[C@@H]1c1ccccc12 1650617 RHKMQBSXYARXQX-MNOVXSKESA-N 404.192 5.449 0 40 HKAB Cc1ccc(-c2c(C(=O)Nc3ccccc3)c(C)nc3sc4c(c23)CCCC4)cc1 1777184 KMAKXJCILMZQIR-UHFFFAOYSA-N 412.558 6.711 0 40 HKAB O=c1oc2cc(OCc3cccc(Oc4ccccc4)c3)c(Cl)cc2c2c1CCC2 1936228 GTSIDNUXACXEBV-UHFFFAOYSA-N 418.876 6.306 0 40 HKAB CCC(=O)N(CC[C@@H](c1ccco1)c1ccccc1OC)Cc1ccc(OC)cc1 2102934 LKHJEOQXGPJDQN-JOCHJYFZSA-N 407.510 5.258 0 40 HKAB biogenic CCCCCCn1c(N)c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc21 2247133 KUBJMCAYNBHPPG-UHFFFAOYSA-N 419.573 5.367 0 40 HKAB O=C(CSc1nccn1-c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 2722993 VDOAFWGVPFPWCX-UHFFFAOYSA-N 411.836 5.275 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2CN2CCCCC2)CCCC3)cc1 2888989 SDXDSCPAABUZJF-UHFFFAOYSA-N 410.627 6.163 0 40 HKAB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)Nc1ccc(F)cc1F 3244873 GMSQRNOVORVSHO-UHFFFAOYSA-N 424.428 5.037 0 40 HKAB COc1ccc(CN(C(=O)Nc2ccc(Cl)cc2)[C@@H](C)Cc2cccs2)cc1 3289056 URIIPJGATSUFLH-INIZCTEOSA-N 414.958 6.075 0 40 HKAB COc1ccccc1OCC(=O)N(c1ccc(Cl)cc1)c1nc2ccccc2s1 3350054 YAWYQDVCZHYROX-UHFFFAOYSA-N 424.909 5.702 0 40 HKAB FC(F)(F)c1cc(-c2ccccc2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 3766628 UHFIWKISFQWXMA-UHFFFAOYSA-N 405.832 6.335 0 40 HKAB CCOc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)ccc1O 4553448 CGKQMGBBBJTPAJ-JLTOFOAXSA-N 414.571 5.822 0 40 HKAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 4713918 KPIZKJSBWWEHFF-OXQOHEQNSA-N 423.538 5.090 0 40 HKAB COc1cc2c(cc1OC)[C@H]1CCCC[C@H]1O[C@H]2c1cccc(Br)c1 4788418 BWNAZAWQUGLOEV-FPDPHYFHSA-N 403.316 5.612 0 40 HKAB CCCC[C@@H](CC)CNC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12 4949038 YHAGWSMGPPBZFF-HXUWFJFHSA-N 410.561 7.001 0 40 HKAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)o1 5434899 OVCYJWYILNXFJF-KRWDZBQOSA-N 415.518 5.831 0 40 HKAB C[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 6175583 BNJCFVMKBBNGGG-IBVKSMDESA-N 411.549 5.392 0 40 HKAB CCOc1ccc(NC(=O)c2cc(Cl)c(OC)c(OCc3ccccc3)c2)cc1 6207603 INWSTCHTIMGZKY-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB COc1ccc(CN(C)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 6268064 JJUACMSCUBEELW-UHFFFAOYSA-N 411.954 5.913 0 40 HKAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc(Br)c(Cl)c1 6495180 BIMHRXPVYMEXKV-UHFFFAOYSA-N 405.144 5.628 0 40 HKAB O=C(CSc1ccc2ccccc2c1)OCC(=O)c1ccc(-c2ccccc2)cc1 6566617 MXYROTJHKCQERG-UHFFFAOYSA-N 412.510 6.025 0 40 HKAB CN(C)[C@H](CNC(=O)c1oc2ccccc2c1COc1ccccc1)c1cccs1 6587566 CNOJXEKRQZAHLG-HXUWFJFHSA-N 420.534 5.106 0 40 HKAB Cc1nc(N2CCN(c3cccc(Cl)c3)CC2)c2c3c(sc2n1)C[C@H](C)CC3 6822420 TYJCOXWLZYAEGN-CQSZACIVSA-N 412.990 5.105 0 40 HKAB Cc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)c(Cl)c1 6824860 RNXGZHRHEDQSIT-FQEVSTJZSA-N 410.304 6.553 0 40 HKAB C[C@@H](Nc1ncnc2cc(-c3ccc(F)cc3)sc12)c1ccc(-n2ccnc2)cc1 8013253 KRZPWFNTZWBECY-OAHLLOKOSA-N 415.497 5.856 0 40 HKAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8036605 CTGCWWCZEGBXEC-JOCHJYFZSA-N 404.510 5.016 0 40 HKAB COc1ccc(Br)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 8938847 WQGIYPPAXJYFEI-UHFFFAOYSA-N 408.601 5.382 0 40 HKAB Cc1nc2ccc3nc(NC(=O)c4cccc(Oc5ccccc5)c4)sc3c2s1 9354566 PDYYMRFGMCAVNJ-UHFFFAOYSA-N 417.515 6.259 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(C)ccc3C)c3ccccc3n2)cc1 9525793 LBSRTJRWWLTVCT-UHFFFAOYSA-N 424.500 5.623 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCn1ccc2ccccc21 9548872 QZISFBCBLPKXOP-UHFFFAOYSA-N 411.864 5.217 0 40 HKAB O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1cccc(Br)c1 9827851 DICUDVAAVFUXBE-UHFFFAOYSA-N 409.239 5.059 0 40 HKAB Cc1ccc(NC(=O)[C@H](C)Sc2ccc(C(F)(F)F)cn2)c(Br)c1 10535953 NPOULKATCCEILV-JTQLQIEISA-N 419.266 5.291 0 40 HKAB O=C(Nc1nc(-c2ccncc2)cs1)c1cc(-c2cccs2)nc2ccccc12 11852350 STJVJRQBRPAQOF-UHFFFAOYSA-N 414.515 5.734 0 40 HKAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc(Cl)c1Cl)O[C@H](C)C2 12565059 XMRNUFCSVBMJSP-VXGBXAGGSA-N 409.313 5.155 0 40 HKAB O=c1c(C(F)(F)F)cc(-c2ccccc2)nn1CCCOc1ccc(Cl)cc1 12878056 AATFAEBFPDFFCD-UHFFFAOYSA-N 408.807 5.052 0 40 HKAB Cc1cc(C)c2nc(NC(=O)CSc3nnc(C)n3C3CCCCC3)sc2c1 14198870 XLLJUTNYDOBXCD-UHFFFAOYSA-N 415.588 5.049 0 40 HKAB COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4cccs4)cc3c2C)c1 15729499 XPOCHQDEQFRPOR-UHFFFAOYSA-N 421.474 5.303 0 40 HKAB biogenic COc1cc(CNC(C)(C)C)cc(Br)c1OCc1ccc(Cl)cc1 16322889 CYQRWRYGCTUFPR-UHFFFAOYSA-N 412.755 5.578 0 40 HKAB COc1ccc(-c2cc(C(=O)N3CCC[C@H](C(F)(F)F)C3)c3ccccc3n2)cc1 16962310 JTQVBDGGOFQSNY-INIZCTEOSA-N 414.427 5.325 0 40 HKAB Cc1ccc(-c2nn(Cc3cccc(F)c3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C 17091723 QNULLGCIWPXXJR-UHFFFAOYSA-N 418.943 7.292 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 17092189 AXUZYGSYXULRJH-UHFFFAOYSA-N 420.475 5.621 0 40 HKAB COc1ccc(-c2nc3cc(C)c(C)c(Br)c3o2)cc1Br 20156826 DVGJTIBURQMSKQ-UHFFFAOYSA-N 411.093 5.645 0 40 HKAB OC1=Nc2ccccc2CC[C@H]1Sc1nnc(-c2ccccc2)n1-c1ccccc1 20731510 MSFGCONXRPVMCY-OAQYLSRUSA-N 412.518 5.629 0 40 HKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)c1 21580716 JULRZJGOZVMAFG-MRXNPFEDSA-N 415.493 5.668 0 40 HKAB COCc1c(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)oc2ccccc12 24890506 RBPABJRBMUKLMY-UHFFFAOYSA-N 418.474 5.379 0 40 HKAB COc1ccc([C@H](NC(=O)c2sc(NC(=O)C(C)(C)C)cc2C)C(C)C)cc1 25158192 WTHFYBGMMDKLCN-GOSISDBHSA-N 402.560 5.177 0 40 HKAB C[C@@H](NC(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1)c1cccc(C(F)(F)F)c1 25760517 GUZPESBIADQQBT-MRVPVSSYSA-N 418.293 5.062 0 40 HKAB CCC(CC)C(=O)NC[C@H](c1ccc(Br)cc1)c1c[nH]c2ccccc12 27742068 YTOIBEWWHRRCBO-LJQANCHMSA-N 413.359 5.615 0 40 HKAB Cc1c(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)oc2ccc(F)cc12 27795763 RBCPOPSFPQTVGT-NRFANRHFSA-N 412.464 5.924 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 30851418 JNBOIPAFMXIWAV-UHFFFAOYSA-N 411.498 5.155 0 40 HKAB Cc1ccc(C(=O)Nc2c(C)nn(COc3cccc(C(F)(F)F)c3)c2C)cc1 32610196 BANHBJFFFZABGY-UHFFFAOYSA-N 403.404 5.116 0 40 HKAB COc1ccc(-c2cc(OCC(=O)Nc3ccc(C)c(F)c3)c3ccccc3n2)cc1 32985614 SRQSDMFSEDDQRH-UHFFFAOYSA-N 416.452 5.375 0 40 HKAB O=C(OCC1c2ccccc2-c2ccccc21)N1Cc2nc(Cl)nc(Cl)c2C1 35269842 KDHGOSCKKDVTGX-UHFFFAOYSA-N 412.276 5.048 0 40 HKAB C[C@@H]1c2ccsc2CCN1C(=O)c1oc2ccccc2c1CSc1nccn1C 58104326 QPWKWRZFTNPVJE-CQSZACIVSA-N 423.563 5.280 0 40 HKAB C[C@H]1CCCCN1C(=O)c1ccc2oc(-c3cc(Cl)c(Cl)c(Cl)c3)nc2c1 59842997 KXUIJSYUVSQPCO-NSHDSACASA-N 423.727 6.470 0 40 HKAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2cccc(OC)c2)cc1 67258765 ICSNCXSDORXALY-UHFFFAOYSA-N 414.530 5.389 0 40 HKAB CCCCN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215748 ZKKGOMOUZIHGAP-NRFANRHFSA-N 401.595 6.093 0 40 HKAB Cc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN23)cc1 72332590 RAHRZNVFVOYGDE-LSYYVWMOSA-N 418.496 5.901 0 40 HKAB COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(Cc4ccccc4)n3)C2)cc1 72349354 DSUQLMNEAYXOIQ-QHCPKHFHSA-N 414.549 5.020 0 40 HKAB C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)Cc1noc2ccccc12 79019186 GXYRRYPLSISWJE-LBPRGKRZSA-N 415.280 5.122 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)Nc5ccc(Br)cc5)(C4)C2)C3)cc1 100482491 ILJZAEIMSLOFAI-JSODFGIGSA-N 424.382 6.234 0 40 HKAB CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccnc1 101999014 WFEWCWPMZIKIJY-XMMPIXPASA-N 403.526 5.920 0 40 HKAB C[C@@H](NC(=O)CN1CCc2sccc2[C@H]1c1cccs1)c1cc2ccccc2o1 102533594 SZFCEKCSMKSNRQ-CMJOXMDJSA-N 422.575 5.381 0 40 HKAB CSc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nn(-c4ccccc4)c(O)c32)cc1 102867159 XBFVWGNYJBMDJP-LJQANCHMSA-N 403.507 5.514 0 40 HKAB O=C1[C@@]2(c3ccccc3)CC[C@@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 104183244 KBHZYJSOIZMZOX-FIRIVFDPSA-N 412.532 6.850 0 40 HKAB Fc1ccccc1COc1ccc(Cl)cc1CNc1ccc(Br)cc1 107039030 RKEIACWUCWWTHV-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB CC[C@H](CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118913776 LGJMUZUPVCAVPU-QHCWSYHRSA-N 416.734 8.105 0 40 HKAB in-vitro C[C@]1(C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC(c2ccccc2F)=NO1 141566527 ZUZSXHQCUMYWMA-XMMPIXPASA-N 422.431 5.066 0 40 HKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(Cc4ccccc4)c3C)N21 222694381 LEFCVQTYQVQHSP-TUACAJSNSA-N 416.594 5.528 0 40 HKAB Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)o1 222850929 DATLIQAAIZEQOZ-SFTDATJTSA-N 411.958 5.684 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccccc1C(C)(C)C 224168893 IJXLPPLTQBPTTA-UHFFFAOYSA-N 407.485 5.963 0 40 HKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C 224190267 WVEASYQMALLYKO-RUZDIDTESA-N 420.597 5.021 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccc(C)c(C)c1 224618181 UELHOXNHHJJWKE-UHFFFAOYSA-N 403.522 5.520 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1CSc1ccccc1 224654412 DVVKKNXVWXVNLL-UHFFFAOYSA-N 405.519 5.833 0 40 HKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1C 225024820 OSYYBSQFHFNKRF-DNQXCXABSA-N 416.594 5.404 0 40 HKAB COc1cc2c(cc1OC)-n1cccc1C(c1cccc(C(F)(F)F)c1)=N[C@@H]2C 225374886 XCMCNFYJDVUYMQ-CYBMUJFWSA-N 400.400 5.425 0 40 HKAB COc1ccc(CCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1C 225718963 RQFNLDIUDGYJMV-UHFFFAOYSA-N 412.382 5.293 0 40 HKAB Cc1cc(-n2cccc2)cc2nc(-c3cccc(I)c3)oc12 226247180 URMCVEAANQHRHB-UHFFFAOYSA-N 400.219 5.199 0 40 HKAB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(Cl)cc1Cl 408814953 QUHRRRYEFCFUSM-IUXPMGMMSA-N 424.305 5.247 0 40 HKAB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2c[nH]c3ccccc23)C1=O 408816047 QSDCPDIGMHWPCR-NVQGRZSYSA-N 416.570 6.222 0 40 HKAB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc2)cc1 409242776 SZNQUINRHSBEAL-QNGOZBTKSA-N 403.528 6.387 0 40 HKAB COc1ccc(N2C(=O)c3ccccc3NC23CCN([C@H]2CCC[C@@H](C)C2)CC3)cc1 506287039 YJJASTAKZWUKPP-CTNGQTDRSA-N 419.569 5.138 0 40 HKAB CC(=O)N1CC2=C(C1=O)[C@H](C1CCCCC1)c1cn(CCC(C)C)c3cccc(c13)N2 604404745 JVNKYBGMILRJLN-HSZRJFAPSA-N 419.569 5.420 0 40 HKAB biogenic Nc1c(C(=O)c2ccccc2)oc2nc3c(c(-c4ccncc4)c12)CCc1ccccc1-3 642512 HDJQTQVYWCDVAG-UHFFFAOYSA-N 417.468 5.469 0 40 HKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c(C)c1 827387 ZRYGDZZNNPBUKB-UHFFFAOYSA-N 418.522 5.183 0 40 HKAB Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2ccccn2)c2cccc(F)c2)c1C 1298136 UZLPXRITVAFZNS-NRFANRHFSA-N 421.497 5.946 0 40 HKAB COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)cc1 1447588 XIOODZBUDRWMFA-UHFFFAOYSA-N 406.489 6.148 0 40 HKAB COc1cccc(Oc2coc3cc(OC(=O)/C=C/c4ccccc4)ccc3c2=O)c1 1448056 NKQXOGISFNMMME-JLHYYAGUSA-N 414.413 5.213 0 40 HKAB biogenic Cc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c(C)c1 1862686 LJKAWNVKMUKNHP-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB O=C(O[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc2ccccc2n1 2045715 WOKCOSHBOZBKRP-QHCPKHFHSA-N 401.849 5.669 0 40 HKAB CCCCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)c1 2059415 RDBWBWMAJXLIRJ-UHFFFAOYSA-N 416.546 6.703 0 40 HKAB Cc1ccc(-c2cc(C(=O)Oc3cc(C)ccc3C(C)C)c3cccc(C)c3n2)cc1 2078932 LVHJMJCDAHABME-UHFFFAOYSA-N 409.529 7.170 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(OC(C)C)cc4)ccc3o2)cc1Cl 2214257 UUWADWISNJGNHC-UHFFFAOYSA-N 420.896 6.496 0 40 HKAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1nc(Cc3cccc4ccccc34)nc21 2404552 XDBRFRBFBVCQAU-UHFFFAOYSA-N 424.895 5.169 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(C(C)(C)C)cc1 2446290 NVIGIJRUKHNAGE-UHFFFAOYSA-N 422.598 5.610 0 40 HKAB COc1cccc(-c2nnc(SCc3cccc(C)c3)n2-c2ccc(Cl)cc2)c1 2446903 WIQDKOOUKCNEMJ-UHFFFAOYSA-N 421.953 6.197 0 40 HKAB Cc1cc(C)c(-c2csc(NC(=O)c3c(-c4ccccc4)noc3C)n2)c(C)c1 2658791 LMXVQJURYQGKJL-UHFFFAOYSA-N 403.507 5.951 0 40 HKAB O=C(Nc1ccc(C23C[C@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1ccccc1 2683848 YQTWEVXDOHZBKW-YIOSKMQZSA-N 407.557 6.729 0 40 HKAB CC(C)(C)c1cc([C@H](c2ccc(Cl)cc2)N2CCCC2)cc(C(C)(C)C)c1O 2708331 ITSBRVBWXGZQMO-QFIPXVFZSA-N 400.006 6.826 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5ccn(C(F)F)n5)nc4c23)C1 2798105 WZIHXGRAXRIZRS-NSHDSACASA-N 416.501 5.139 0 40 HKAB CCCOc1ccc(-c2csc(NC(=O)c3ccc(C)cc3)c2C(=O)OC)cc1 2889701 ULFJGUKMKBKMGE-UHFFFAOYSA-N 409.507 5.551 0 40 HKAB O=C(NCc1ccc(Cl)cc1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 3133280 LITQGSMCFRJRLG-UHFFFAOYSA-N 414.214 5.128 0 40 HKAB Cc1cccc(Cn2c(-c3cccnc3Cl)nc3cc(Cl)c(Cl)cc32)c1 3135061 DUFJXXAMAGMHEB-UHFFFAOYSA-N 402.712 6.415 0 40 HKAB O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)Nc1ccc(F)c(F)c1F 3353076 GYYKZVMEGYGWMU-UHFFFAOYSA-N 419.786 5.006 0 40 HKAB CC(C)[C@@H](C(=O)Nc1ccc(I)cc1)c1ccc(Cl)cc1 3375307 COPZIPBUEMRNOJ-MRXNPFEDSA-N 413.686 5.323 0 40 HKAB O=C(NC1=NCCS1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 3393118 BBVYIONOQCOOKS-UHFFFAOYSA-N 409.514 5.401 0 40 HKAB Cc1ccc(S(=O)(=O)N(CCCN(C)C)C2CCCCCCCCCCC2)cc1 4184492 XRBGFGOAUSUEKJ-UHFFFAOYSA-N 422.679 5.611 0 40 HKAB COc1ccc([C@@]23C[C@H](C)Sc4ccccc4N2C(=O)[C@H]3Oc2ccccc2)cc1 4659009 ODFJXRMKCCRMBW-FIMBPPNMSA-N 417.530 5.269 0 40 HKAB CCCCCCN(CCCCCC)CC(=O)Nc1c2c(nc3ccccc13)N(C)CC2 4718774 RIZPBTBZLCPMSF-UHFFFAOYSA-N 424.633 5.628 0 40 HKAB Cc1cc(I)c2[nH]c(-c3ccccc3)c(-c3ccccc3)c2c1 4851968 GMKSJGKYUDOFQF-UHFFFAOYSA-N 409.270 6.415 0 40 HKAB CC[C@@H](C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(C)cc1)C[C@H]2C(F)(F)F 5100586 LMSOVKXUSILEMH-BNOWGMLFSA-N 414.859 5.034 0 40 HKAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2cccc(Cl)c2)o1 5738783 AFXJJMROLLYXOL-UHFFFAOYSA-N 414.852 5.586 0 40 HKAB COc1ccc(Nc2nc(CSc3nnc(-c4ccccc4F)o3)cs2)cc1 5968356 JQHWMIOOYVVWLQ-UHFFFAOYSA-N 414.487 5.377 0 40 HKAB Cc1ccc(-c2nc(C(=O)NCCCOC(C)C)cc3c2[nH]c2ccccc23)cc1 6088001 IIHCJPMCSTZZAE-UHFFFAOYSA-N 401.510 5.236 0 40 HKAB biogenic Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c1 7389261 HPRWRTKSRKFOBZ-UHFFFAOYSA-N 415.493 5.017 0 40 HKAB COc1ccc(-c2cc(NC(=O)CCc3nc4ccccc4o3)ccc2OC)cc1 7639569 HGXIQLXIBUQMAS-UHFFFAOYSA-N 402.450 5.083 0 40 HKAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(Cl)cc3F)cccc2c1=O 7970456 PYCCKFZRDZFCIK-UHFFFAOYSA-N 407.828 5.813 0 40 HKAB COc1cccc(/C=C/C(=O)N(Cc2ccc(OC)c(OC)c2)Cc2cccs2)c1 8193331 UNGDCQHJSNJWSD-ZRDIBKRKSA-N 423.534 5.016 0 40 HKAB Cc1nc(Sc2nnc(-c3ccccc3Cl)o2)c2c3c(sc2n1)CCC3 8199011 QAYZDVGLPNAARP-UHFFFAOYSA-N 400.916 5.343 0 40 HKAB O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1cccc(F)c1)Cc1ccco1 8830940 OYTQBZFZEMEWEC-UHFFFAOYSA-N 410.832 5.570 0 40 HKAB aggregator Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)c(C)c1 9283324 AMDXMZYIFBTWPC-UHFFFAOYSA-N 420.563 5.343 0 40 HKAB COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2C)cc1 9461011 IXTDLIFTMYJJNE-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB Cc1ccc(C)c(N2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)CC2)c1 9876966 BAUQJIZYHZTUHJ-UHFFFAOYSA-N 417.578 5.615 0 40 HKAB C[C@@H]1CCc2ccccc2N1C(=O)CSc1nn(-c2ccccc2)c(=S)s1 12009017 IFASAEYGOMPYOV-CQSZACIVSA-N 413.593 5.123 0 40 HKAB COC(=O)c1c(NC(=O)Cc2coc3ccc(C(C)C)cc23)sc2c1CCCC2 12062882 FNAAHJXIEMZSFS-UHFFFAOYSA-N 411.523 5.464 0 40 HKAB C[C@@H](CCN1CCC([C@H](NC(=O)C(C)(C)C)c2nccs2)CC1)c1ccccc1 12365694 KZCMAQIGRNAGQX-RXVVDRJESA-N 413.631 5.252 0 40 HKAB O=C(CCCc1c[nH]c2ccccc12)NC[C@H](c1ccccc1Cl)N1CCCC1 12756883 TXVDIPVMBVOUIQ-HSZRJFAPSA-N 409.961 5.097 0 40 HKAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(C(F)(F)F)cc1 12904254 ISGIYJMPPLDBHS-UHFFFAOYSA-N 413.421 5.241 0 40 HKAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(c2nc3ccccc3o2)CC1 14272641 SVZVKVLRBFPBCC-UHFFFAOYSA-N 418.324 5.010 0 40 HKAB O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1c1ccccc1 15011682 VIYJPHNTCBDQEE-GZTJUZNOSA-N 416.285 6.494 0 40 HKAB COc1cc2c(cc1NC(=O)Cc1csc(-c3ccccn3)n1)oc1ccccc12 15512702 GHSWNOREPCCXMR-UHFFFAOYSA-N 415.474 5.294 0 40 HKAB CC1=NC2=NC(Nc3cccc(Cl)c3Cl)=N[C@H](c3ccc(C)cc3)N2C(O)=C1 19921818 BBCIKQLTYDVGDX-SFHVURJKSA-N 414.296 5.314 0 40 HKAB Cc1ccc2nc(S[C@@H](C(=O)NCc3ccc(F)cc3)c3ccccc3)[nH]c2c1 19926645 PZZGJVUIPLJPNP-OAQYLSRUSA-N 405.498 5.160 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2C(C)C)sc2c1CCCC2 20041539 FWQVKYWMBYOJEN-HNNXBMFYSA-N 415.555 5.333 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1ccc(CN2CCCc3ccccc32)cc1 20044833 BDCGERAEVQOQDO-UHFFFAOYSA-N 421.338 5.654 0 40 HKAB CCc1ccc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccccc3)c2c1 20382339 QHCOBSYARGPQGG-UHFFFAOYSA-N 402.519 5.242 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3ccc(OC)cc3)ccc21 20489044 IMDIFHGBJWORQU-INIZCTEOSA-N 404.535 5.942 0 40 HKAB CCOc1ccc(-c2nc(CSc3nc(O)cc(-c4ccccc4)n3)c(C)o2)cc1 23126193 DEHDFYMGUNSICM-UHFFFAOYSA-N 419.506 5.504 0 40 HKAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCOc1ccc(Cl)c(C)c1 31903355 XXUILVUGIAOYFX-OAQYLSRUSA-N 411.933 5.151 0 40 HKAB Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)Cc1ccc(F)cc1 32610232 LDQFBBIYAGCZKY-UHFFFAOYSA-N 422.287 5.164 0 40 HKAB CCN(C(=O)c1ccc(C(C)(C)C)cc1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 32622420 RTUXBAZWTOAMOZ-MHZLTWQESA-N 424.588 7.026 0 40 HKAB Cc1nn(C)c(C)c1NC(=O)/C=C/c1ccc(-c2ccc(Br)cc2)s1 32909378 GRYQWFAFMNCJGZ-PKNBQFBNSA-N 416.344 5.180 0 40 HKAB COc1ccc(-c2nc(CSc3nccn3-c3ccccc3)cs2)cc1OC 36395642 XXRVRJOXBAJJKY-UHFFFAOYSA-N 409.536 5.305 0 40 HKAB CC1=C(C)C[C@](C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)(c2ccccc2)[S@](=O)C1 36497008 FLFUPAMWVHIQBX-YOXXTDAESA-N 402.600 5.375 0 40 HKAB O=C(C1CCN(Cc2ccccc2Cl)CC1)N1CCC(Cc2ccccc2)CC1 39756992 DJRIVEUAFXUKFQ-UHFFFAOYSA-N 410.989 5.033 0 40 HKAB O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)c1ccc(Cl)nc1 40160144 UDPMOLCVPJYXJG-UHFFFAOYSA-N 408.914 5.471 0 40 HKAB C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccccc3-c3cccs3)cc2)C[C@@H](C)O1 46435211 DXQLGKZXOVYVCU-QZTJIDSGSA-N 406.551 5.277 0 40 HKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Br)c1 54363524 RJVXQCGFKWOENH-UHFFFAOYSA-N 409.132 5.174 0 40 HKAB C[C@@H]1CN(Cc2ccccc2F)CCN1Cc1ccc(-c2nc3ccccc3s2)o1 57731482 PAZHIKKWDVNJHJ-QGZVFWFLSA-N 421.541 5.402 0 40 HKAB O=C(Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1ccc2c(c1)OCCO2 61967342 OBUVTNQJQQKNLM-UHFFFAOYSA-N 417.248 5.204 0 40 HKAB CCc1ccc(-c2noc(-c3nn(-c4ccc(CC)cc4)c(=O)c4ccccc34)n2)cc1 64950090 LXIMWLQDTALBJU-UHFFFAOYSA-N 422.488 5.228 0 40 HKAB CCOc1cc(-c2ccc(OC)cc2)nc2ccc(NC(=O)c3cccc(F)c3)cc12 65033893 RYEFPRWQABFQJG-UHFFFAOYSA-N 416.452 5.701 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1C 69454282 MKQIVCMIVGWDIR-UHFFFAOYSA-N 424.504 5.118 0 40 HKAB Cc1csc(-c2ccc(NC(=O)N(CCO)[C@@H]3CCCc4ccccc43)cc2)n1 72314319 HIHFLANSXHOMMZ-OAQYLSRUSA-N 407.539 5.022 0 40 HKAB CN(C)Cc1cccc(CCNCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 78823143 HUTIFBZBXIZUFG-UHFFFAOYSA-N 419.516 5.223 0 40 HKAB C[C@H](C(=O)Nc1ccc(Br)cc1)c1cccc(C(=O)c2ccccc2)c1 98073004 NGZVNLGKDHULFF-HNNXBMFYSA-N 408.295 5.422 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cccs4)C3=C(O)C2)cc1 100426335 RKNZMLRFXHXJEG-GYCJOSAFSA-N 402.519 6.386 0 40 HKAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CC3CCCCC3)CC2)n1 100738806 UOXBPPFLTFZUQL-GRGXKFILSA-N 406.574 5.207 0 40 HKAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1cccc(OCc2ccccc2)c1 218978437 MGJMWNHNFGDWLW-UHFFFAOYSA-N 407.469 5.749 0 40 HKAB O=C(COc1cccc2c1CCCC2)NCCSCc1c(Cl)cccc1Cl 222983912 GMSKVWCSMKABIP-UHFFFAOYSA-N 424.393 5.301 0 40 HKAB C[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc2c(c1)CCC2 223157705 AVWLKWUVGMNJED-CQSZACIVSA-N 404.373 5.048 0 40 HKAB O=C(CSCc1ccc(Br)cc1)NCc1cccc(C(F)(F)F)c1 224070954 NHAREMCHMZYUDI-UHFFFAOYSA-N 418.278 5.018 0 40 HKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 224585809 FDBUJRXOEXCFAF-DHIUTWEWSA-N 418.566 5.184 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(Cn4nc(C)cc4C)cc3)ccc21 225290645 KRGQRANOLRKLHW-UHFFFAOYSA-N 422.532 5.928 0 40 HKAB O=C(NCc1cccnc1-c1ccsc1)c1ccc2noc(-c3ccccc3)c2c1 225646806 HMEKVEPQYPUFCC-UHFFFAOYSA-N 411.486 5.548 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225678971 WUMXIINJACUGAM-QGZVFWFLSA-N 418.946 5.024 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225703208 VPWMWOZJYURSRM-YKSBVNFPSA-N 404.595 5.111 0 40 HKAB CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@H](C)C2)cc1C(=O)OCC 225854184 ZONPCBFICWSRQG-UUOWRZLLSA-N 419.562 5.356 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1 408695682 SBLRJWAELHYIRR-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc3c(c2)OCO3)C1=O 408800956 QLCXKCKXRWDYAN-RJBWCCSZSA-N 421.542 5.469 0 40 HKAB CCOc1ccc(Br)cc1/C=C1\C(=O)N(CC(C)C)c2ccccc21 409117791 PFUUEIYIOMAFTG-PDGQHHTCSA-N 400.316 5.391 0 40 HKAB Cc1cccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)c1 409122218 ZCJKCWCTUJXGOX-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c(C)n1C1CCCC1 409125115 MORFMCDQKNCOAI-NDENLUEZSA-N 414.958 6.110 0 40 HKAB CCOc1ccccc1/C=C1/SC(=O)N(Cc2cccc(Br)c2)C1=O 409158340 OKHNXFGXRRMXGD-GZTJUZNOSA-N 418.312 5.084 0 40 HKAB CCOc1ccc(CCC(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1 530458573 CKZGLHDWPVVDRU-QHCPKHFHSA-N 421.516 5.301 0 40 HKAB Cc1oncc1C(=O)N1Cc2ccccc2NCc2ccccc2OC[C@@H]1CC(C)C 643581812 BETICWPXCKBUQO-NRFANRHFSA-N 419.525 5.045 0 40 HKAB O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(Br)c3ccccc3c2N1 861013 ZDWAKSZQZLGJIW-ZDUSSCGKSA-N 421.121 6.383 0 40 HKAB COc1ccc(-n2c(CNc3ccc(C)cc3)nnc2SCc2ccccc2)cc1 925365 HXOBYALENINJQU-UHFFFAOYSA-N 416.550 5.489 0 40 HKAB CC(C)COC(=O)COc1ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)coc2c1 942740 BKQWGUVHNTZAMU-UHFFFAOYSA-N 424.493 5.461 0 40 HKAB CC(=O)Nc1cccc(C(=O)O[C@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)c1 992816 LUXKCSCSUAMDGB-DEOSSOPVSA-N 401.462 5.043 0 40 HKAB N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccc(Cl)cc2Cl)o1 1256632 SUAYJSUNXOUJLR-INIZCTEOSA-N 419.337 5.393 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)cc2)c(C)c1 1267283 YTJBDXWXBQSFNV-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB Cc1nc2c(cc1NC(=O)Nc1ccc(Cl)cc1)nc(C)n2Cc1ccccc1 1336293 PEQTWCVZAABNCU-UHFFFAOYSA-N 405.889 5.394 0 40 HKAB CC(C)OC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)coc2c1 1770135 SGUMMDLJTKJHHQ-MRXNPFEDSA-N 424.493 5.602 0 40 HKAB Cc1ccc(-c2oc3ccccc3c(=O)c2OCc2ccc(Cl)c(Cl)c2)cc1 1791321 LEYMRTDRLQYTIZ-UHFFFAOYSA-N 411.284 6.654 0 40 HKAB O=C(Oc1cccc2ccccc12)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 1846782 JKVOOCQMNBTXSH-UHFFFAOYSA-N 409.872 6.928 0 40 HKAB O=C(CCCOc1ccc(Cl)cc1Cl)NC(=S)N1CCCc2ccccc21 2135728 KLGUYFXTBNEHDU-UHFFFAOYSA-N 423.365 5.006 0 40 HKAB CCOc1ccc2nc(SCC(=O)n3c4c(c5ccccc53)CCCC4)sc2c1 2183206 VZTOJHMZXXFSBD-UHFFFAOYSA-N 422.575 5.961 0 40 HKAB Cc1ccc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1Cl 2252788 FYFYXFMSEOZDOC-UHFFFAOYSA-N 405.288 6.251 0 40 HKAB Cc1nn2c(Nc3ccc(Cl)c(Cl)c3)c3c(nc2c1-c1ccccc1)CCCC3 2330472 GOYZSQKXHHYIIH-UHFFFAOYSA-N 423.347 6.634 0 40 HKAB CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1c(Cl)cccc1Cl 2371544 ASSZGSOQTNEMOZ-SIBVEZHUSA-N 416.285 5.327 0 40 HKAB Cc1nc(NC(=O)COC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)cc1Cl 2621733 JRXUUVLJVWFPKQ-UHFFFAOYSA-N 415.276 5.159 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)CCCOc1ccc(Br)cc1 2633166 FWFOKWZMHHECJV-UHFFFAOYSA-N 418.375 6.494 0 40 HKAB CCc1ccc(-c2cn3nc(-c4ccc(Cl)cc4Cl)n4c3c2CCCC4)cc1 2684455 LYJFXPBECWAAJG-UHFFFAOYSA-N 410.348 6.675 0 40 HKAB Cc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 2713980 ILDSGDXWOSWNCL-UHFFFAOYSA-N 408.480 6.147 0 40 HKAB CCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1Cl)Nc1ccccc1-2 2744819 PGVFVOQMQOTZOX-IBGZPJMESA-N 412.946 5.977 0 40 HKAB Cc1ccc([C@@H]2[C@H](Oc3ccc(Cl)cc3C)C(=O)N2c2ccc(C)c(C)c2)cc1 2758775 LJUFFDDCMJSJNZ-RPWUZVMVSA-N 405.925 6.109 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCCCCCCC2 2766178 HZBOIJLSWZKKFK-UHFFFAOYSA-N 419.612 6.458 0 40 HKAB CCn1cc(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)c3ccccc3n2)c(C)n1 2806228 CXFVIIUBHFECDC-QHCPKHFHSA-N 410.521 5.234 0 40 HKAB Cc1cccc(C)c1NCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2887639 NMIKNHTXMSHRIO-UHFFFAOYSA-N 420.365 5.708 0 40 HKAB C[P@](=O)(Nc1ccc(SC(F)(F)F)cc1)Oc1ccc(Cl)cc1Cl 3145222 KMVPLMIDCTVPCR-HSZRJFAPSA-N 416.188 6.919 0 40 HKAB O=Cc1cn(-c2ccccc2)nc1-c1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1 3188060 YJSNLJUVOUVJSZ-UHFFFAOYSA-N 418.456 5.017 0 40 HKAB CCOC(=O)c1c(Nc2nc(-c3ccc(C)c(C)c3)cs2)sc2c1CCCC2 3261471 ZVBOHWXDHVGDCA-UHFFFAOYSA-N 412.580 6.288 0 40 HKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)n2C)cc1 3364190 NYXXAGIFCHKRDF-UHFFFAOYSA-N 414.534 5.188 0 40 HKAB Fc1ccc(-n2cc(-c3ccccc3)c3c(SCc4ccccc4)ncnc32)cc1 3658650 MMFXXHJFPQUQJD-UHFFFAOYSA-N 411.505 6.519 0 40 HKAB COc1ccc(C(=O)[C@H](C)c2ccc(OCc3ccccc3)cc2OC)cc1OC 3843468 XNDMXYBXXHBRPH-QGZVFWFLSA-N 406.478 5.278 0 40 HKAB biogenic Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)c(C)c1 4036346 IWQMNAMDXFIGPP-UHFFFAOYSA-N 409.536 5.084 0 40 HKAB CCc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2Nc2ccccc2)cc1 4335253 ZPNDHBIFFZYRNJ-UHFFFAOYSA-N 402.519 5.682 0 40 HKAB COc1cc(/C=C/C(=O)N2c3cc(C)ccc3C(C)=CC2(C)C)cc(OC)c1OC 4702843 YASYJSJUCAHUTN-PKNBQFBNSA-N 407.510 5.263 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c(C)c1 4703863 QHQLVVJFVWFJRG-UHFFFAOYSA-N 414.505 6.253 0 40 HKAB CCCN(C(=O)Cc1cccc(OC)c1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880820 UHWVXGHBEPEGQW-UHFFFAOYSA-N 423.582 5.497 0 40 HKAB CC[C@]1(C)N=C(c2ccc(Br)cc2)C(=S)N1C(=O)c1ccc(C)cc1 4891718 PDRZSDQHCVBBJL-HXUWFJFHSA-N 415.356 5.156 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccccc3C)sc3ccccc3c2=O)cc1 5321634 MBVHRSBSBXXYGY-UHFFFAOYSA-N 401.487 5.498 0 40 HKAB Cc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1 5336790 JIPQUCWTHLRBKR-SRZZPIQSSA-N 413.821 5.010 0 40 HKAB Cc1ccccc1Cn1c([C@H](C)NC(=O)c2ccc(Cl)cc2)nc2ccccc21 5545913 OXUBEGGZCJDNRJ-KRWDZBQOSA-N 403.913 5.537 0 40 HKAB FCCCOc1ccc(-c2ccnc3cc(-c4sccc4-n4cccc4)nn23)cc1 5778538 YTCFIJRMEFGUKP-UHFFFAOYSA-N 418.497 5.654 0 40 HKAB CC(C)(C)c1cc(CCCCOC(=O)/C=C\c2ccccc2)cc(C(C)(C)C)c1O 5839296 XEGFJDICFXGZDO-NXVVXOECSA-N 408.582 6.567 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1Cl 6044516 XTLDSEPOMUQSED-UHFFFAOYSA-N 419.956 5.223 0 40 HKAB COC(=O)c1cc(NC(=O)c2ccc(CSc3ccccc3)cc2)ccc1Cl 6440980 DXKGVXZNDYQAFD-UHFFFAOYSA-N 411.910 5.671 0 40 HKAB Clc1cccc(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2cccs2)c1 8397983 QBVMRWHWZVTWHV-GOSISDBHSA-N 417.759 6.520 0 40 HKAB COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1cccc(Cl)c1 9413638 FEHFXVRVVMPJGN-UHFFFAOYSA-N 420.852 5.599 0 40 HKAB COc1cccc(NC(=O)[C@H](Sc2ccc3c(c2)OCCCO3)c2ccccc2)c1 9454256 XWDFXWXQWKJSJS-HSZRJFAPSA-N 421.518 5.329 0 40 HKAB CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)n1 9573440 INORJOVEYFALBV-UHFFFAOYSA-N 424.936 5.672 0 40 HKAB COc1ccc(SCCC(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1 10219591 QAFSJUCFWHDOBY-UHFFFAOYSA-N 415.565 5.344 0 40 HKAB FC(F)(F)c1ccc(-c2noc(CN(Cc3ccco3)Cc3cccs3)n2)cc1 12862336 YQUQFGSARPGBIP-UHFFFAOYSA-N 419.428 5.612 0 40 HKAB Cc1c(C)n(Cc2ccccc2)c2ncnc(Sc3ccc(Br)cc3)c12 12953685 WWSRZCNZTVIULJ-UHFFFAOYSA-N 424.367 6.010 0 40 HKAB O=C(/C=C/c1ccccc1)Nc1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 13548684 JAMJNCJSFDLQFJ-ZHACJKMWSA-N 421.503 5.369 0 40 HKAB CCCOc1ccc([C@@H]2C(C(=O)OCC)=C(CCC)Nc3nc4ccccc4n32)cc1 13634741 CQSFKRNVXGKSDM-HSZRJFAPSA-N 419.525 5.457 0 40 HKAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccc(C(C)=O)cc2)cc1 15880484 RBNXPZDYIQSFRT-UHFFFAOYSA-N 415.445 5.572 0 40 HKAB biogenic Cc1nn(-c2ccccc2)c2nc3ccc(C4CCCCC4)cc3c(-c3ccccc3)c12 16266074 MRRADBLHEBJDIZ-UHFFFAOYSA-N 417.556 7.597 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)c1 16639362 WVNQRFFYFIDCHV-UHFFFAOYSA-N 416.477 5.935 0 40 HKAB COc1cccc(-c2nn(-c3ccccc3Cl)c(-c3cccc(OC)c3)c2C)c1 17083075 DMCQFUOYTMVFKL-UHFFFAOYSA-N 404.897 6.185 0 40 HKAB Fc1ccc(C(c2ccc(F)cc2)N2CCN(C(=S)Nc3ccccc3)CC2)cc1 17093632 HEGQZRVOKVYKPU-UHFFFAOYSA-N 423.532 5.069 0 40 HKAB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1cc(Cl)sc1Cl 17201276 SOYKSJZHUREWBO-UHFFFAOYSA-N 412.348 6.040 0 40 HKAB COc1ccc2cc([C@H](C)C(=O)N(C)Cc3ccc(Br)s3)ccc2c1 18107897 SKTVTKKAZVELKO-ZDUSSCGKSA-N 418.356 5.435 0 40 HKAB CC(C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 20411219 YRINPOAEMCKDNR-UHFFFAOYSA-N 414.505 6.658 0 40 HKAB COc1ccc(-c2nnc([C@H](C)N3CCC(CCc4ccc(C)cc4)CC3)o2)cc1 25753752 LEFDQKWSRNORFJ-IBGZPJMESA-N 405.542 5.459 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)N2CCCCC2)cc1 27991508 YGTMODWQRRVQIX-QFIPXVFZSA-N 424.972 5.968 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccccc1OCc1cccc(F)c1 33707789 HWZFYJQGEMVWPF-OAQYLSRUSA-N 424.497 5.173 0 40 HKAB CCC(=O)N1CCc2cc(-c3nc(NC(=O)CC4CCCCC4)sc3C)ccc21 35313934 OEAHSXADZKALRT-UHFFFAOYSA-N 411.571 5.327 0 40 HKAB CC1CCN(Cc2ccc(C(=O)NCCCc3ccc(OC(C)C)cc3)cc2)CC1 38755674 JDCPDJOHWXSJIJ-UHFFFAOYSA-N 408.586 5.068 0 40 HKAB CC(C)(C)c1ccc(C(=O)OCc2nc(-c3ccc(Br)cc3)no2)cc1 51315168 KKSXLEWRISXJCW-UHFFFAOYSA-N 415.287 5.154 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1Sc1ccccc1 59241859 XBHIZXMFUGFOQR-UHFFFAOYSA-N 404.318 6.162 0 40 HKAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCc3cc4ccccc4[nH]3)c12 65523066 SZOHJGYYLBRGFE-UHFFFAOYSA-N 403.530 5.029 0 40 HKAB COc1ccc(OC)c(-n2c(SCc3cccc(C)c3)nc3ccccc3c2=O)c1 67258937 HJKUUGMRHFRXAS-UHFFFAOYSA-N 418.518 5.004 0 40 HKAB CC[C@](C)(NC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)c1ccccc1 72271546 DBDRQCGVSDGXJP-VWLOTQADSA-N 401.510 5.410 0 40 HKAB Cc1cc(C)c(NC(=S)N[C@H](C)c2nc(-c3ccc(F)cc3)no2)c(Cl)c1 84074960 PPKXUDFVTBHHCU-GFCCVEGCSA-N 404.898 5.194 0 40 HKAB O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CC(c2nc3ccccc3s2)C1 84591049 HLOMHCUGLRUKAV-UHFFFAOYSA-N 422.513 5.146 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1[nH]c2ccccc2c1Br 84667880 DMFORMMYMKGWMT-NSHDSACASA-N 414.328 5.373 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2SCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 104747073 JURISSRRETWINP-ZVVDCOBXSA-N 422.594 5.280 0 40 HKAB Cc1ccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1C 107956486 UBDWXXGDFNOIFZ-UHFFFAOYSA-N 424.460 6.411 0 40 HKAB CCOC(=O)c1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1 216780002 KMDLKUMGTSFQKB-UHFFFAOYSA-N 413.695 5.257 0 40 HKAB O=C(Nc1nnc(SCc2ccccc2)s1)c1cc2c(ccc3ccccc32)o1 223302119 SNHLPURLEIPMKL-UHFFFAOYSA-N 417.515 5.982 0 40 HKAB Cc1ccc(C)c(OCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 224022107 YZHLHJJOUTYRKI-UHFFFAOYSA-N 421.562 5.283 0 40 HKAB CCCC[C@H](CC)CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 224080537 GLLRPQUFKVRODH-IBGZPJMESA-N 416.587 5.050 0 40 HKAB COc1cccc(OCc2cc(C(=O)N[C@@H](C)CCc3ccccc3)ccc2OC)c1 224260119 ZGXGSEXBEQLCEW-IBGZPJMESA-N 419.521 5.034 0 40 HKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(OCC(C)C)cc1 408624836 CKUNYLXVCWUSNX-UHFFFAOYSA-N 401.466 5.485 0 40 HKAB CSc1ccccc1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408680452 ZBULDJLEZGUMLS-UHFFFAOYSA-N 404.466 5.289 0 40 HKAB CCC[C@@H](C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408703031 DEQBXGQRXPRBAN-QRQCRPRQSA-N 416.974 5.033 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3)cc2-c2ccc3ccccc3c2)cc1 408724056 DGUMLGWXASRKQI-UHFFFAOYSA-N 403.485 6.253 0 40 HKAB Cc1c(-c2nc(-c3ccc(Br)cc3)cs2)nnn1-c1cccc(F)c1 1889124974 UTQVKIIUNZXNMH-UHFFFAOYSA-N 415.291 5.268 0 40 HKAB Cc1cccc(C)c1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 919395 XXPGPINSPMUFBX-BBRMVZONSA-N 404.392 5.006 0 40 HKAB Cc1ccc(-c2csc(N(CCc3ccccc3)C(=O)C3CCCCC3)n2)cc1 932677 KPYOKRWKRKLHBK-UHFFFAOYSA-N 404.579 6.275 0 40 HKAB O[C@@H](CN(C1CCCCC1)C1CCCCC1)c1ccnc2c(Cl)cc(Cl)cc12 1595086 AHFROPKVRDZVJZ-QFIPXVFZSA-N 421.412 6.542 0 40 HKAB Cc1c(OCc2ccc(Br)cc2)ccc2c(-c3ccccc3)cc(=O)oc12 1893490 WWESSGZUYJZFDC-UHFFFAOYSA-N 421.290 6.110 0 40 HKAB COc1cc(C2N(c3ccc(C)cc3)CCN2c2ccc(C)cc2)cc(OC)c1OC 2049963 FKTTWPACCUPKDL-UHFFFAOYSA-N 418.537 5.355 0 40 HKAB biogenic Cc1cc(Br)ccc1NCN1C(=O)S/C(=C\c2ccccc2F)C1=O 2119391 UEIHKIRLQWTCLQ-SXGWCWSVSA-N 421.291 5.003 0 40 HKAB Cc1ccc(Cn2c(C)c(-c3ncc(C(F)(F)F)cc3Cl)c3ccccc32)cc1 3048752 NEJDIDBAFKLCIJ-UHFFFAOYSA-N 414.858 7.041 0 40 HKAB COc1ccc(N2C(=O)[C@H](c3cccc4ccccc34)[C@@H]2c2ccc3c(c2)OCO3)cc1 3199476 BGYOKAVQFGKYKZ-FTJBHMTQSA-N 423.468 5.449 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)/C=C/c2ccc(Cl)cc2)c2ccccc2)c1 3302305 OLFIWIJTTUDBSK-MURVUTHMSA-N 419.908 5.893 0 40 HKAB Cc1ccc(-c2csc(=S)n2CC(=O)NCCc2ccc(Cl)cc2)cc1 3341347 JXNYGQPNVNPCNY-UHFFFAOYSA-N 402.972 5.267 0 40 HKAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 3423672 DYYJXHBRLYUTJO-OAQYLSRUSA-N 418.924 5.498 0 40 HKAB O=C(Nc1nnc(Cc2c[nH]c3ccccc23)s1)c1ccc(Cl)c(Cl)c1 3669247 MXTPIZIPYKYBTG-UHFFFAOYSA-N 403.294 5.169 0 40 HKAB CCn1c2ccccc2c2cc([C@H](C)NC(=O)c3cccc(Br)c3)ccc21 3771332 JNCSPGFIYLZJMD-HNNXBMFYSA-N 421.338 6.068 0 40 HKAB CC(C)(C)c1ccc(Cn2nc(-c3ccccc3)c(N3CCCCC3)cc2=O)cc1 4092543 NRAPNXRNWDFWLZ-UHFFFAOYSA-N 401.554 5.246 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 4682379 ONEJYGOGMDNPDH-UHFFFAOYSA-N 414.461 5.645 0 40 HKAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 4710938 CAFSLHPYQAIWMM-UHFFFAOYSA-N 416.506 5.140 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccc(OC)cc1)N1N=C(c3cccs3)C[C@H]21 4715713 BQCWCNGIGXXZKR-AUSIDOKSSA-N 406.507 5.398 0 40 HKAB COc1ccccc1[C@@]1(CCN[C@@H](C)c2ccc(Cl)cc2)CCO[C@H](C(C)C)C1 5024396 DZYXLXFXKIWHKF-LQGLAIQGSA-N 416.005 6.162 0 40 HKAB C[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)Nc1ccccc1-c1ccccc1 5175081 WJDAKERNYBWACY-SFHVURJKSA-N 413.546 5.873 0 40 HKAB COc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cccc(C)c2)cc1 5485606 UGAVSNHMOOJHCV-YRNVUSSQSA-N 413.546 6.057 0 40 HKAB CC(=O)[C@@H](C)Sc1c(Cc2ccccc2)c(C)nc2c(-c3ccccc3)c(C)nn12 5576878 OJYGTIPYEKHMDU-LJQANCHMSA-N 415.562 5.674 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C(c1ccccc1)c1ccccc1 6258366 LCBAWSYXKUBPFI-UHFFFAOYSA-N 404.922 6.234 0 40 HKAB CC(C)(C)c1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 6323494 HNQICUIHOHLWFC-UHFFFAOYSA-N 403.305 6.908 0 40 HKAB CC(=O)N(c1nc(CSc2nc3ccccc3n2C)cs1)c1ccccc1F 6657716 HUWUNBZBIIEFCR-UHFFFAOYSA-N 412.515 5.146 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ccc2c(c1)OCO2 6890656 JCTWJRFEPPOXKK-UHFFFAOYSA-N 408.413 5.629 0 40 HKAB O=C1S/C(=C/c2ccc(N3CCCC3)cc2F)C(=O)N1Cc1ccc(Cl)cc1 6970505 CPSIYWUIYLASRN-YBFXNURJSA-N 416.905 5.316 0 40 HKAB COc1ccc(CNCc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 7538401 JOINVLGUABMWJP-UHFFFAOYSA-N 402.321 5.871 0 40 HKAB O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(N2CCCC2=O)cc1 8243151 MSCTUMSADAYWBG-UHFFFAOYSA-N 412.489 5.082 0 40 HKAB COc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)c1ccc(C)cc1 9250146 YPAJBDUARHNULI-UHFFFAOYSA-N 420.534 5.243 0 40 HKAB COc1cc(OC)cc(C(=O)C(=S)Nc2cccc(-c3nc4ccccc4o3)c2)c1 9404661 YWJUDGKLUDDOCM-UHFFFAOYSA-N 418.474 5.134 0 40 HKAB CCCCC(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3cc(C)c(C)cc3o2)c1 9668106 OIMJEAGAPMIHEI-UHFFFAOYSA-N 415.946 5.768 0 40 HKAB COc1ccccc1Oc1ccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)cc1 11514736 STSMJDNZBZFRBD-UHFFFAOYSA-N 413.857 5.410 0 40 HKAB Fc1cccc(Cl)c1CSc1ncnc2c1nnn2Cc1ccc(Cl)cc1 11758563 VBIBEWFAAUMHBS-UHFFFAOYSA-N 420.300 5.008 0 40 HKAB Cc1ccc(-c2ccccc2CC2(C(=O)O)CCN(Cc3cccnc3)CC2)c(C)c1 12234820 CWHWUOVMTDAJRS-UHFFFAOYSA-N 414.549 5.275 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1 12582154 PGVMHVLTGCAKJB-UIFIKXQLSA-N 404.522 5.185 0 40 HKAB CSc1ccc(CN(C)Cn2nc(Nc3ccc(F)cc3)sc2=S)cc1 12813836 ABVSBKIKWMQEDA-UHFFFAOYSA-N 406.577 5.368 0 40 HKAB C[C@H](N[C@@H](C)c1ccco1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 12819723 YPCWSPVXXRAYII-HOTGVXAUSA-N 405.523 5.158 0 40 HKAB C[C@@H](SCc1csc(-c2ccc(F)cc2)n1)C(=O)Nc1c(F)cccc1F 12928166 YVVGDVRTFSAWTB-LLVKDONJSA-N 408.470 5.488 0 40 HKAB CCOc1ccccc1OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 13057923 ACVSMMOZCQEKBO-UHFFFAOYSA-N 404.897 6.170 0 40 HKAB C[C@H]1CCC[C@@H](C)N1C(=S)SCC(=O)Nc1ccccc1Cc1ccccc1 13129105 SKQLREQXZQLRQM-HDICACEKSA-N 412.624 5.497 0 40 HKAB CC(C)C/C=C\[C@H](C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 13408886 XBGUSQBSWPZOOX-KIKWEQBESA-N 414.630 6.229 0 40 HKAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3csc(-c4ccccc4)n3)c2)C1 13811260 IYYXYVNPVRMPNY-CALCHBBNSA-N 412.580 5.144 0 40 HKAB Cc1cc(=O)oc2cc(OCc3nc(-c4ccccc4Cl)no3)c(Cl)cc12 16668199 WCOYGUZCNNZVPQ-UHFFFAOYSA-N 403.221 5.037 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)cc(=O)c3c2)cc1 17112898 VOWDPGNFWFLIAL-UHFFFAOYSA-N 415.464 6.149 0 40 HKAB biogenic Cc1cc(C[C@@H]2CCC[C@H]2N(Cc2ccncc2)Cc2ccc(Cl)c(F)c2)on1 19120475 LIQNIVAUFCRLFO-WMZHIEFXSA-N 413.924 5.584 0 40 HKAB COc1ccc2cc(-c3ccc(C(=O)Nc4ccc5[nH]ccc5c4)cc3)c(=O)oc2c1 20426674 OZKSTOZAEJXPSL-UHFFFAOYSA-N 410.429 5.202 0 40 HKAB CCCOc1ccc(-c2n[nH]c(SCc3cc(Cl)ccc3OCCC)n2)cc1 26806959 GJHAHACBTSGBDU-UHFFFAOYSA-N 417.962 5.995 0 40 HKAB COc1ccc(-c2c[n+](-c3ccc(SC(F)F)cc3)c3n2CCCCC3)cc1 27788626 NRSFSUNSDFNIKU-UHFFFAOYSA-N 401.502 5.482 0 40 HKAB COc1ccc([C@@H](CNC(=O)c2sc3cc(Cl)ccc3c2Cl)N(C)C)cc1 30020035 HAIPBQNVVPZCMQ-MRXNPFEDSA-N 423.365 5.249 0 40 HKAB O=C(OCc1ccccc1C(F)(F)F)c1nc(NCc2ccccc2)ncc1Cl 32933280 PAUJCGKNOZTZNI-UHFFFAOYSA-N 421.806 5.118 0 40 HKAB CC(C)n1c([C@@H](C)NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)nc2ccccc21 35317015 HIYWNLYFAKQHQS-OAHLLOKOSA-N 419.916 5.219 0 40 HKAB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C/c1ccc(Cl)cc1Cl 35647468 YRMGPMKDKZUUSU-MKMNVTDBSA-N 417.239 5.904 0 40 HKAB O=C(Nc1sc(NC(=O)c2cccs2)nc1-c1ccccc1)c1ccccc1 35671793 HDPCKGCNWFPCLV-UHFFFAOYSA-N 405.504 5.376 0 40 HKAB COc1ccc(NC(=O)COc2ccc(C(C)C)cc2Br)cc1Cl 40944009 NUOZYAXWNMTGNH-UHFFFAOYSA-N 412.711 5.252 0 40 HKAB CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1cccc(C(F)(F)F)c1)NC2 55028089 CQOBAAMBTUVMNK-JOCHJYFZSA-N 416.443 5.486 0 40 HKAB Cc1cccc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)c1 58062758 OHEIQIGHBHOTGZ-UHFFFAOYSA-N 415.320 5.305 0 40 HKAB Nc1c(Br)cc2nc(-c3cccc4ccccc34)oc2c1Br 70461319 VYKZFPHXKBAIGG-UHFFFAOYSA-N 418.088 5.755 0 40 HKAB CCCc1cc(-c2nc(C)c(C(=O)Nc3nc(-c4cccnc4)cs3)s2)ccn1 71287473 WZCHGVLSOWTEFF-UHFFFAOYSA-N 421.551 5.237 0 40 HKAB O=C1c2ccccc2[C@@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1CCCO 85430424 QXSIGKLKBWUMRH-DEOSSOPVSA-N 416.908 5.416 0 40 HKAB O=C(Nc1ccc2oc(=O)ccc2c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 95360977 XNQCBLZMQGVUPK-UHFFFAOYSA-N 401.262 5.083 0 40 HKAB Cc1ccc(Sc2ncccc2C(=O)Nc2cccc(-c3cnco3)c2)cc1C 95951302 AVPYTTCGCXPEOS-UHFFFAOYSA-N 401.491 5.757 0 40 HKAB CN(Cc1csc(-c2ccccc2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 95951866 YXRUCWONYWOLHZ-RBUKOAKNSA-N 405.350 5.207 0 40 HKAB O=C(NC1CCCCCC1)c1ccn(-c2ccc3ccc(-c4cccc(F)c4)cn23)n1 96062753 JNRQVRVKIOPKSL-UHFFFAOYSA-N 416.500 5.384 0 40 HKAB CCOc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc23)cc1C 96305712 CNXLIQUKUUMPMJ-UHFFFAOYSA-N 412.294 5.016 0 40 HKAB COc1ccc([C@@H]2Sc3ccccc3N=C3c4cc(C)ccc4OC[C@H]32)cc1OC 96562530 ZZMVYMZKZAFILE-CJAUYULYSA-N 417.530 5.989 0 40 HKAB CC(C)(C)N(Cc1ccccn1)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 97105633 QCMJGPHPCFQRKW-UHFFFAOYSA-N 408.523 5.022 0 40 HKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5ccc(OC(F)F)cc5)(C4)C2)C3)cc1 102967503 RLJWEIMTCAUXIG-LYBIEXDWSA-N 411.492 6.073 0 40 HKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(OCC)cc1 222977867 WTTBFEHSKDOTJM-DHIUTWEWSA-N 420.582 5.044 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1nnc(SCC(C)C)s1 223144568 AMKBRDOULDVTRE-INIZCTEOSA-N 401.557 5.236 0 40 HKAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2C(C)C)c1 223939583 SIRJLFYNLZSASO-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)c1 224296271 WFAYGDXMQGSPDN-RPWUZVMVSA-N 416.594 5.792 0 40 HKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 224411185 JFWYAPYUQBPMIV-GOTSBHOMSA-N 415.493 5.658 0 40 HKAB Cc1ccccc1CSCCNC(=S)Nc1ccc(OC2CCCC2)cc1 225362557 AYAGXIPKYTTZNZ-UHFFFAOYSA-N 400.613 5.536 0 40 HKAB O=C(Cc1cccc(Br)c1)Nc1ccc(CSc2ccccc2)cc1 225614007 BCYIWLKASHLQSF-UHFFFAOYSA-N 412.352 5.923 0 40 HKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225823294 YNSPRMUMBUQSRN-SFHVURJKSA-N 421.578 5.457 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 225834745 BARYXCUFVIVJPK-FQEVSTJZSA-N 403.522 6.103 0 40 HKAB Cc1nc2ccccn2c1-c1nnc2sc(-c3cccc4c(Cl)cccc34)nn12 227143199 KQAQVCJFDQDRFF-UHFFFAOYSA-N 416.897 5.283 0 40 HKAB C[C@@H]1O[C@@H]2c3cc(CC(=O)O)ccc3OC(C)(C)[C@H]2C[C@H]1c1ccc(Cl)cc1 257241240 HXGVBDKZYCOEIW-VRONRVGUSA-N 400.902 5.388 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1 408623346 SVROUNQRHITGEW-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3cc(C)cc(C)c3)sc2n1 408624101 ULRWSPYOWAYHCP-UHFFFAOYSA-N 412.584 5.273 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(C)cc2)cc1 408699043 RBJNGGZRZIVMGK-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3C)n2)cc1 408699737 WANFXMDOKNCTMV-UHFFFAOYSA-N 400.457 5.197 0 40 HKAB Cc1ccccc1NC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 408727386 WFGFWSFRXMHEFO-UHFFFAOYSA-N 403.485 6.253 0 40 HKAB O=C(NCCC1=CCCCC1)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408979154 PFEJODWLOCVRQF-UHFFFAOYSA-N 411.509 5.240 0 40 HKAB CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O 409011292 FYPGFNWTJYFXSS-BDFKGGEMSA-N 417.530 6.254 0 40 HKAB Cc1ccc(-c2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o2)c(Br)c1 409019709 WMPLQEPCSUCXRF-SXGWCWSVSA-N 406.301 5.462 0 40 HKAB CCOc1cc(C)c(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1C(C)C 409063682 AYJHOZGBEQJJNK-BKUYFWCQSA-N 411.523 5.767 0 40 HKAB Cc1ccc(COc2c(Cl)cc(Cl)cc2CNc2cccc(Cl)c2C)cc1 409117887 PHTOUIDSOCCBFK-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775977260 HWPBBSHEVSLHLC-LJQANCHMSA-N 419.468 5.216 0 40 HKAB Cc1noc(C)c1-c1ccc2c(c1)CNCCCCCCCN2C(=O)c1ccncc1 2037931571 PVILPHITTBZKNF-UHFFFAOYSA-N 418.541 5.054 0 40 HKAB Cn1cncc1-c1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1 579423 DIIQEKYPVNCRHF-UHFFFAOYSA-N 407.477 5.353 0 40 HKAB O=C(Cn1nc(-c2ccccc2)oc1=S)Nc1cc(C(F)(F)F)ccc1Cl 639392 NHCTXSIFWINMST-UHFFFAOYSA-N 413.808 5.183 0 40 HKAB CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc(F)cc2)c2ccccc2)C[C@H]1C 822407 YIFLLWSQXZMQJA-OSPHWJPCSA-N 402.469 5.359 0 40 HKAB Cc1cc(Oc2coc3cc(OC(=O)C(C)(C)C)ccc3c2=O)cc(C)c1Cl 950714 UMDWSUHBMXHEDS-UHFFFAOYSA-N 400.858 5.807 0 40 HKAB O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccccc1F 1311417 USOGCQCSWGEJED-UHFFFAOYSA-N 412.218 5.044 0 40 HKAB Cc1cc(-c2ccccc2)nc(Oc2cccc(C(F)(F)F)c2)c1S(C)(=O)=O 1403488 GCZRPVMKVOGBIT-UHFFFAOYSA-N 407.413 5.272 0 40 HKAB COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccccc4)cs3)n2)cc1 1414024 RGHFQCGALXESGB-UHFFFAOYSA-N 401.413 5.690 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc(Cl)c(Cl)c1 1878421 GAAPWFSMBZHZEO-UHFFFAOYSA-N 417.679 6.707 0 40 HKAB Cc1nc(Oc2cc3sc(C)nc3c3sccc23)c2c3c(sc2n1)CCC3 2087910 WWZAECDDLDGVRP-UHFFFAOYSA-N 409.561 6.414 0 40 HKAB Cc1ccc([C@H]2SCC(O)=Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 2393347 LJYHZBQIZFBFDE-XMMPIXPASA-N 411.530 6.272 0 40 HKAB CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCc4ccccc4)c23)CO1 2425198 CGQUGNDSZMYZNC-QFIPXVFZSA-N 413.612 6.045 0 40 HKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1CCc1ccccc1 2430058 KABATOZKEXAHAP-QFIPXVFZSA-N 415.876 5.234 0 40 HKAB CSc1nc2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2s1 2643402 KMEFRQQRBZRHSK-UHFFFAOYSA-N 406.598 5.425 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2cccc(Oc3ccccc3)c2)cc1 2655462 SKYQGRWWVVULJO-SFHVURJKSA-N 403.478 5.788 0 40 HKAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc(C(=O)c2ccccc2)cc1 3194021 RSKHWICJGQJVKV-UHFFFAOYSA-N 424.481 6.040 0 40 HKAB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1ccccc1Cl 3238619 RADSEJZHBJRZBC-SDNWHVSQSA-N 403.912 5.186 0 40 HKAB O=C(COC(=O)CC1CCCC1)Nc1ccccc1Sc1ccc(Cl)cc1 3250456 OSLVHADFZPVPNS-UHFFFAOYSA-N 403.931 5.553 0 40 HKAB O=C(CCCSc1nc2ccccc2c(=O)n1-c1ccccc1)c1cccs1 3339874 DXDWXSUFQTXPKI-UHFFFAOYSA-N 406.532 5.202 0 40 HKAB C[C@H]1[C@@H]2[C@@H]3OC[C@@]1(COC(=O)NC1CCCCC1)[C@H](C)C[C@]2(C)Oc1ccccc13 4023193 HTEHTVFZNJDZHV-RUPRUHKUSA-N 413.558 5.246 0 40 HKAB CC[C@@H](C(=O)NCCCCCCNC(=O)[C@H](CC)c1ccccc1)c1ccccc1 4113281 ZOLXMMVJBCMZED-DNQXCXABSA-N 408.586 5.167 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(C)cc1Cl 4554545 BUFFIHINCXILLP-UHFFFAOYSA-N 408.910 6.186 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cccc5c(C)cccc45)cc3)sc2c1 4673390 JKETYHRLUGUIML-UHFFFAOYSA-N 408.526 6.986 0 40 HKAB COc1cc([C@H]2O[C@H]3CCCC[C@@H]3c3sccc32)ccc1OCc1ccccc1 4784303 HKUBQVLWDXNOTL-ZCVJKFOLSA-N 406.547 6.482 0 40 HKAB O=C1c2ccccc2C[C@H]1Sc1nnc(-c2cccs2)c(-c2cccs2)n1 5059574 ZQEHVLVJSJXDPE-MRXNPFEDSA-N 407.545 5.228 0 40 HKAB Cc1ccc(CNC(=O)Cc2c(C)c3cc4c(C(C)(C)C)coc4cc3oc2=O)cc1 5235699 HEXXXDXNBIBNPP-UHFFFAOYSA-N 417.505 5.312 0 40 HKAB Cc1ccc(-c2c(NC(=O)c3ccccc3Cl)n(C)c3ccccc3c2=O)cc1 5240880 ZYPJTXDMSNLYBJ-UHFFFAOYSA-N 402.881 5.420 0 40 HKAB CCCCCC[C@H](C)OP(O[C@H](C)CCCCCC)O[C@H](C)CCCCCC 5743038 CWMBGKXLZCXEIX-SMIHKQSGSA-N 418.643 9.340 0 40 HKAB CCCCN(CCCC)C[C@H](CN(CC)CC)N(CC)C(=O)Nc1ccccc1 5973424 JUAKBZVJVLEKKL-QHCPKHFHSA-N 404.643 5.153 0 40 HKAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N[C@@H](C)c2ccccc2)cc1 6337022 MIAXFOMKJJONOP-IBGZPJMESA-N 412.558 6.205 0 40 HKAB COc1cc(/C=C\C(=O)Oc2ccccc2)ccc1C(=O)O/C=C/c1ccccc1 8655998 KWKVWLLCZGKCMZ-OBJKYRPYSA-N 400.430 5.142 0 40 HKAB C=Cc1ccc(COc2ccc(-c3n[nH]c(C)c3-c3ccccc3OC)c(O)c2)cc1 8740992 HIXPHFSZKMSYMA-UHFFFAOYSA-N 412.489 5.988 0 40 HKAB Cc1cc(C(=O)CSc2nc3ccc(Cl)cc3o2)c(C)n1-c1nccs1 8941696 MKFXGDYZJAFGSM-UHFFFAOYSA-N 403.916 5.320 0 40 HKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(Cc2ccc(F)cc2)CC1 9063646 PKCVVVXPCOGFHQ-UHFFFAOYSA-N 415.723 5.637 0 40 HKAB Cc1ccc(-n2c(SCc3ccccc3F)nc3sc(C)c(C)c3c2=O)cc1C 9296187 NUEHTJYKTHWPAO-UHFFFAOYSA-N 424.566 6.112 0 40 HKAB Cc1ccc(C)c(CN2C(=O)N(c3ccc(C)c(F)c3)S(=O)(=O)c3ccccc32)c1 9319398 WCUIRHMGPOFRBE-UHFFFAOYSA-N 424.497 5.086 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 10714845 OIJDRJVDLBSXGY-UHFFFAOYSA-N 412.530 6.458 0 40 HKAB O=C(c1cc(Br)ccc1F)N1CCC[C@@H](c2nc3ccccc3s2)C1 12868807 MUDQJQIKUNXPKF-GFCCVEGCSA-N 419.319 5.218 0 40 HKAB CC(C)c1ccc(N2C[C@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)cc1 13037036 UDQXMRFFGBAZHM-MRXNPFEDSA-N 415.415 5.399 0 40 HKAB Cc1ccccc1-n1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@H](C)C2)c1=S 13063527 FEYMZCUALZSZNG-INIZCTEOSA-N 412.990 5.722 0 40 HKAB CC(C)c1ccc(NC(=O)C[C@@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1 13108374 VBURCLQHCZJIIP-HSZRJFAPSA-N 417.509 5.341 0 40 HKAB CCOc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)[C@@H](C)[C@@H]2CC)cc1 13510956 OQZNSCZZVINNGJ-VFHOHQAYSA-N 414.549 6.314 0 40 HKAB C/C(Cl)=C/CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCC3 13551229 BVZITQNWAOSFRN-LCYFTJDESA-N 402.972 5.479 0 40 HKAB C[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)cc1F 17316001 TXHSXAIDGNVTSQ-CQSZACIVSA-N 400.856 5.721 0 40 HKAB Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C2[C@@H]2CC=CCC2)cc1 19322478 IWAXPVCBPVNXPQ-HXUWFJFHSA-N 401.381 5.994 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 20043343 XKOACZWTKQCTHK-HXUWFJFHSA-N 423.409 5.521 0 40 HKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(CSc2ccccc2)cc1C 20458927 ZPBLLNJIHKAKRM-QHCPKHFHSA-N 405.563 6.392 0 40 HKAB C[C@H]1CCc2nc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)sc2C1 21799169 MLMDBEYQQYYXKD-YFKPBYRVSA-N 411.141 5.529 0 40 HKAB O[C@@]1(c2ccc(-c3ccccc3)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 22408769 IHXBNNKSOXYFMA-AREMUKBSSA-N 417.960 5.657 0 40 HKAB COc1ccc(-c2c(C)nn3c(Nc4cccc(Cl)c4)cc(C)nc23)cc1OC 27585392 DOVMGZAJTAWKCN-UHFFFAOYSA-N 408.889 5.427 0 40 HKAB Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1ccc(F)cc1 32610219 UCVXFGKVWIHLRI-UHFFFAOYSA-N 408.260 5.235 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1S(=O)(=O)Nc1cccc(C)c1C 33739804 LGQYSJMWQKZCRN-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB Cc1ccc(NC(Nc2ccc(C)cc2)=C2N=C(c3ccc(C)cc3)OC2=S)cc1 41154959 ORCJJJDQFADIPI-UHFFFAOYSA-N 413.546 6.109 0 40 HKAB Cc1cc(Br)ccc1NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1 44838253 JSOGKHCTBAHMMA-UHFFFAOYSA-N 406.283 5.553 0 40 HKAB O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(Cl)cc2)=NC12CCCCC2 45932921 UNRGFFKKULDMRT-UHFFFAOYSA-N 400.906 5.412 0 40 HKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cc(C)ccc3F)oc12 67295815 NXOCPOXVBOPURA-PNHLSOANSA-N 417.440 5.077 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4cc(F)cc(F)c4)nccn3n2)cc1C 72328552 KIWFTTCRFCESDW-UHFFFAOYSA-N 424.476 5.022 0 40 HKAB CC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 89331613 GASOEMXWKPYAAQ-UHFFFAOYSA-N 401.871 5.136 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc3ccccc3c1)CC(C)(C)O2 219030896 KLSPSEFJEGRBCE-OPAMFIHVSA-N 405.494 5.034 0 40 HKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 222686213 GWCBQUTZYAHBKJ-OAHLLOKOSA-N 404.963 5.379 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2cccc3ccccc23)c2ccccc2O1 222977302 WDDDXSRIPXJXSF-XMSQKQJNSA-N 403.522 5.806 0 40 HKAB CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)ccc1Cl 223717965 DNSZIQCRKMIFSS-OAQYLSRUSA-N 415.917 5.192 0 40 HKAB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccc(Oc2ccccc2)cc1 225800113 UOHPFNFGEQHJIQ-UHFFFAOYSA-N 403.413 5.239 0 40 HKAB O=C(C[C@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 226761996 VSLZYFGDJBKPIZ-XMMPIXPASA-N 422.931 5.615 0 40 HKAB CCCCc1ccc(C[C@]2(C)CCc3cccc(-c4cccc(C(=O)O)c4)c3O2)cc1 257270914 MWDZJKVPAUHZDI-NDEPHWFRSA-N 414.545 6.721 0 40 HKAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(Oc2ccccc2)cc1 408672367 WCYPGKHAVWWCJB-UHFFFAOYSA-N 416.260 5.581 0 40 HKAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 408678086 FFHXEBKOGYQNHI-OAHLLOKOSA-N 412.382 5.427 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccc(F)cc2)cc1 408696669 DGTMFJQZMUICHG-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccc(C)cc2)cc1 408698226 MKQWCGIOEMLUEF-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 408699346 SWMKGEPFSKUKCJ-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB COC(=O)c1ccc(C)c(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 408924904 QONNVTGINUUQIS-XSFVSMFZSA-N 405.881 5.614 0 40 HKAB Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)c1 409116126 KTNVPUAHDUMYRK-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 409193798 MPBMRBYRYUKDLM-UDWIEESQSA-N 423.877 6.044 0 40 HKAB CCCCN1C(=O)CC[C@@H](c2nc(-c3ccccc3F)no2)[C@H]1c1ccc(OC)cc1 545595484 SVOVPANIXJMURL-DENIHFKCSA-N 423.488 5.132 0 40 HKAB O=C(NC[C@H](c1ccsc1)c1ccco1)C1c2ccccc2Oc2ccccc21 675007631 CCMLYCXLNRQDSK-LJQANCHMSA-N 401.487 5.527 0 40 HKAB O=C(c1cc2cccc(F)c2[nH]1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 2037845978 JJPRHXKTXGCSMS-QGZVFWFLSA-N 421.447 5.045 0 40 HKAB Brc1ccc(-n2cc(-c3ccccc3)c3c(N4CCCC4)ncnc32)cc1 756785 BIAQCDZUEMTETC-UHFFFAOYSA-N 419.326 5.450 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=S)NC(=O)c1ccccc1 835766 OEMYMBNRQYNHOT-UHFFFAOYSA-N 424.547 5.027 0 40 HKAB Cc1c(C(=O)OC(C)C)sc(NC(=O)c2ccc(Cl)cc2)c1C(=O)OC(C)C 2086122 GVTHCFIXMKZUDM-UHFFFAOYSA-N 423.918 5.093 0 40 HKAB O=C1c2ccccc2N[C@H](c2cc3ccccc3nc2Cl)N1c1ccc(Cl)cc1 2171936 FARTZEBHVMZCSJ-QFIPXVFZSA-N 420.299 6.313 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1Cc1ccccc1 2656936 WCOBCOKZVOMOCJ-UHFFFAOYSA-N 402.881 6.147 0 40 HKAB CCOc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 2714314 SUWUGJCXWJUHPA-UHFFFAOYSA-N 420.516 6.538 0 40 HKAB O=C1N[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)Nc2sc3c(c21)CCCC3 2765512 XFJAHIVEQZANJT-GOSISDBHSA-N 418.440 5.760 0 40 HKAB CCCN(CCC)C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 3192741 QWFIEAOOLWYDES-OAQYLSRUSA-N 410.385 5.582 0 40 HKAB Cc1cc(C(=O)O[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c(C)o1 3253195 WAGQFENZSIHEGF-LJQANCHMSA-N 417.383 5.452 0 40 HKAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cccc2ccccc12 3362062 AFDYEORWZQZLOY-AREMUKBSSA-N 405.453 6.102 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1 3655519 VZSHAAUXDGKXTF-UHFFFAOYSA-N 417.436 5.437 0 40 HKAB FC(F)(F)c1cc(CSc2nnc(-c3ccccc3)o2)cc(C(F)(F)F)c1 4013954 QNLVMMATTDSKRY-UHFFFAOYSA-N 404.335 6.067 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1C 4036355 MLGBLUHCEUNYLI-UHFFFAOYSA-N 409.536 5.084 0 40 HKAB CCCCCC1CCC(c2nnc3n2N=C(c2ccc4ccccc4c2)CS3)CC1 4036551 ODZJBNYRFOIVFC-UHFFFAOYSA-N 418.610 6.644 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cc1 4077236 FOMAGOZCKJRLTD-UHFFFAOYSA-N 411.958 5.822 0 40 HKAB CC(C)(C)C(=O)NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 4385652 FNXIQSVGSOHAML-UHFFFAOYSA-N 404.341 5.096 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)cc1C 4892129 FNSQGFSXQNQHRT-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB c1ccc(N(c2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 5011033 UDAVIFYGVYZAQT-UHFFFAOYSA-N 411.548 7.817 0 40 HKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccc(F)cc2)cc1 5035566 GRCBRROSKQSQGN-UHFFFAOYSA-N 418.424 5.150 0 40 HKAB COc1ccc(-c2nc3c(c(=S)[nH]2)Cc2cc(Cl)ccc2O3)c(OC)c1OC 5043120 HTXQVADXGRHOIU-UHFFFAOYSA-N 416.886 5.182 0 40 HKAB O=C(C1CCCCC1)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@H]1c1cccs1 5447387 RERCCWDBYQQMRQ-QJFMLIQLSA-N 410.608 6.513 0 40 HKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1C 6270293 KBISFVIPWHINIR-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1 6470147 BHFJNPCOUXFWRM-UHFFFAOYSA-N 412.283 5.289 0 40 HKAB Cc1cc(C)cc(Oc2nc(-c3ccc(Cl)cc3)nc3sc4c(c23)CCC4)c1 7159266 JOSGJUNFCCOWQY-UHFFFAOYSA-N 406.938 6.910 0 40 HKAB CCc1cccc2c(C(=O)[C@H](Sc3nnc(C4CC4)o3)c3ccccc3)c[nH]c12 7289694 XEXYEXQEIALLBV-OAQYLSRUSA-N 403.507 5.707 0 40 HKAB C[C@@H](NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1)C12CC3CC(CC(C3)C1)C2 7524670 YDFGGRQTHPGSHO-KWJFTMPMSA-N 404.381 6.948 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(SC(C)C)c3)n2)c1 7597938 CIZCYCFTJGLKEH-UHFFFAOYSA-N 414.552 5.580 0 40 HKAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O 7929289 PEUOOKAQFDHGLI-LJQANCHMSA-N 405.881 5.274 0 40 HKAB Cc1noc(C)c1COc1ccccc1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 7974620 LKYCFTSSJDJGOZ-SELVFMLMSA-N 408.542 5.205 0 40 HKAB C[C@H](Sc1nnc(Nc2cccc(Cl)c2)s1)C(=O)N(C)c1ccccc1 7989993 JONBVJGOJLLLCA-LBPRGKRZSA-N 404.948 5.079 0 40 HKAB O=c1c2sc3nc(-c4ccco4)c4c(c3c2ncn1Cc1ccccc1)CCCC4 8991869 JEHUMVAAVXXAQI-UHFFFAOYSA-N 413.502 5.193 0 40 HKAB COc1ccc(OCCCSc2nnc(-c3ccccc3Br)o2)cc1 9053590 PVPKQOGJPQFIGM-UHFFFAOYSA-N 421.316 5.069 0 40 HKAB Cc1cnc(NC(=O)c2c(C)nn(Cc3ccc(Cl)cc3Cl)c2Cl)s1 9120539 YITBBZBHFABULD-UHFFFAOYSA-N 415.733 5.217 0 40 HKAB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)Nc1ccccc1Cl 9633360 LISSLRSGYLRVPH-UHFFFAOYSA-N 422.893 5.412 0 40 HKAB Cc1cccc(C)c1NC(=O)c1nnn(-c2ccc3noc(-c4ccccc4)c3c2)c1C 12274474 XXQTZRZQNMJAOA-UHFFFAOYSA-N 423.476 5.253 0 40 HKAB O=C(Nc1cccc(Oc2ccccc2)c1)c1cc(-c2ccncc2)nc2ccccc12 12570427 OYHCEFXALLURCJ-UHFFFAOYSA-N 417.468 6.341 0 40 HKAB O=C(c1ccc(COc2ccccc2)o1)N1CCCC[C@@H]1c1nc2ccccc2s1 12601423 SNTJGEOYQSAPGH-HXUWFJFHSA-N 418.518 5.836 0 40 HKAB COc1ccccc1[C@]1(CCN(C(C)=O)[C@H](C)c2ccccc2)CCO[C@@H](C(C)C)C1 12863686 BLORJSGUUHAICH-SACAOSOOSA-N 423.597 5.768 0 40 HKAB biogenic CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2CCCOc2ccccc2)cc1 13648017 YKPCZOYBMJHOHH-JOCHJYFZSA-N 412.577 6.856 0 40 HKAB O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)Nc1ccccc1C(F)(F)F 14407369 YEGVGSVCZQRTME-UHFFFAOYSA-N 422.406 5.530 0 40 HKAB CCCn1c(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)nc2ccccc21 14626279 XXQHTIXZHQWFNP-UHFFFAOYSA-N 418.111 5.707 0 40 HKAB CC(C)Oc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)cc1 15081448 NYHKZJWVCRZZFE-QGZVFWFLSA-N 407.491 5.375 0 40 HKAB Cc1ccc(S[C@@H]2CSc3nc(=O)c4ccccc4n3[C@H]2c2ccccc2)cc1 16779201 YQXXHWROHMBPHM-YADHBBJMSA-N 416.571 5.561 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3cccc4c(Cl)cccc34)n2)cc1OC 17094163 WRRFNKZUUMGOLE-UHFFFAOYSA-N 424.909 5.886 0 40 HKAB Cc1nc([C@@H](Cc2ccsc2)NCc2ccc(N3CCCC3=O)cc2)sc1C 19559876 QMVPGGXWAZSFOV-HXUWFJFHSA-N 411.596 5.022 0 40 HKAB Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c1C 20108442 NHYMPZASIKMSFK-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(NCc1ccccc1-n1ccnc1)/C(=C/c1ccccc1Cl)c1ccccc1 20456777 QPDAPYDXMAUNNY-CJLVFECKSA-N 413.908 5.383 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(CN2CCCc3ccccc32)cc1 22510505 JENJWIKBFDKIQP-UHFFFAOYSA-N 411.332 6.199 0 40 HKAB CCCCO[C@]12N=C(N)S[C@@H]1C[C@@H]1[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 28294634 RSIJHRRFYQHUQH-ALRWSWPCSA-N 404.664 5.972 0 40 HKAB O=C(NCCc1ccccc1F)c1ccccc1CSc1nc2ccccc2o1 32676237 UCTJVVWZALXFEM-UHFFFAOYSA-N 406.482 5.232 0 40 HKAB CCc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccncc2)cc1 33533573 QDHDWIFVLHQWSJ-UHFFFAOYSA-N 422.557 6.337 0 40 HKAB C[C@H]1CC[C@@H](C)[C@H](NC(=O)Nc2cccc(NC(=O)N[C@@H]3C[C@H](C)CC[C@@H]3C)c2)C1 35944085 IGGGFPGDTBGUDH-QZFITCGQSA-N 414.594 5.579 0 40 HKAB O=C(Nc1nnc(SCc2ccc(Cl)cc2Cl)s1)c1cccc(F)c1 39723800 NOBMWUHBDWNAIO-UHFFFAOYSA-N 414.314 5.529 0 40 HKAB C[C@@H](Cc1ccccc1Cl)NC(=O)c1ccccc1SCc1cscn1 40111976 HXKRDEJRCBNTEJ-AWEZNQCLSA-N 402.972 5.450 0 40 HKAB O=C(c1cccc(F)c1)N1C(=S)C(c2ccc(Cl)cc2)=NC12CCCCC2 45933230 IZNBQYOXCWEIDU-UHFFFAOYSA-N 400.906 5.412 0 40 HKAB Cc1ccccc1-c1noc(-c2nn(-c3cccc(Cl)c3)c(=O)c3ccccc23)n1 64949846 NRQGHXKPAIXTCJ-UHFFFAOYSA-N 414.852 5.065 0 40 HKAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1sc2c(c1C(=O)c1cccs1)CCCC2 89526210 FPRHTRDQJGWBDF-LLVKDONJSA-N 414.552 5.266 0 40 HKAB O=c1c2ccccc2c(-c2nc(-c3cccc(F)c3)no2)cn1-c1cccc(Cl)c1 96324412 RLZXNSQTRMZJDU-UHFFFAOYSA-N 417.827 5.500 0 40 HKAB Clc1ccc(C2=C[C@H](c3ccccc3)n3nc(-c4ccc(Cl)cc4)nc3N2)cc1 100870427 ZESCQMPRYCADAR-OAQYLSRUSA-N 419.315 6.308 0 40 HKAB c1ccc(C/N=c2/scc(-c3ccccc3)n2CCc2c[nH]c3ccccc23)cc1 101379469 VRQBVJWUQZYALU-BYCLXTJYSA-N 409.558 6.042 0 40 HKAB Cc1ccc([C@@]2(CCN[C@H](C)c3ccc(Cl)cc3)CCO[C@H](C(C)C)C2)cc1 102709572 VJRNJFGPKMJBSQ-YNJKOYDBSA-N 400.006 6.462 0 40 HKAB O=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1Cc1ccc(Cl)c(Cl)c1 106715282 HCNJEUDJNSIZKA-CHHVJCJISA-N 416.688 6.022 0 40 HKAB Cc1ccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 108078397 ULYXUCXLDDNWII-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB CC1(C)[C@]2(C(=O)O)CC[C@@]1(C)[C@@H](NC(=O)OCC1c3ccccc3-c3ccccc31)C2 217615678 CAJUEVWERQYXKM-OUIFVKKZSA-N 419.521 5.195 0 40 HKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)c(Cl)c3)N21 222665442 AWSZUYBYEFKXKB-RYGJVYDSSA-N 401.963 5.502 0 40 HKAB CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccc2O1 222993423 IDIZLLXLEWVGEU-XLIONFOSSA-N 415.961 5.923 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1C1CCCCC1 223113701 JOOMICRYLPGZKF-GOTSBHOMSA-N 403.551 5.647 0 40 HKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 224282963 HHWORSBJNTZXQP-RUZDIDTESA-N 420.597 5.021 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccc(C)c(C)c1 224297121 PPKVCMJOLFPUFY-SFHVURJKSA-N 423.940 6.035 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1cccc(OC)c1 224586375 XNUNVRPEORYIDR-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB O=C(Nc1cccc2ccccc12)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224959864 FGMVGDGNIAKTIZ-UHFFFAOYSA-N 424.887 7.068 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c2cccnc12 225868050 YIYANDCGSRZEEA-UHFFFAOYSA-N 420.528 6.249 0 40 HKAB CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 260924524 IFNYCQWQHPRAOO-UKILVPOCSA-N 408.561 5.184 0 40 HKAB O=C(Oc1ccc(Br)cc1/C=C/[N+](=O)[O-])c1ccc(Cl)cc1Cl 408538258 ZQEMDIKOEHYQPJ-AATRIKPKSA-N 417.042 5.223 0 40 HKAB COc1cccc(C(=S)NCc2ccco2)c1OCc1ccc(Cl)c(Cl)c1 408575308 NSDMJQNSXPBZNA-UHFFFAOYSA-N 422.333 5.639 0 40 HKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)c1 408699970 XWVZXSNDPNCVCI-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CC(C)(C)c1ccc([C@H]2C=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 408723770 KZKDKSKIVRACQK-XMMPIXPASA-N 418.487 6.346 0 40 HKAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 409202388 SGNIJGRTNUSHMD-UHFFFAOYSA-N 403.522 5.258 0 40 HKAB O=C(CCCc1ccccc1)Nc1cccc(NC(=O)CCCc2ccccc2)n1 683141 KBALTQCBHQVJGO-UHFFFAOYSA-N 401.510 5.004 0 40 HKAB COc1cccc(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)nc3ccccc23)c1 689188 VXYWDJMVBUQVDV-UHFFFAOYSA-N 412.489 5.950 0 40 HKAB COc1ccc(F)cc1C(=O)CSc1ncnc2scc(-c3ccccc3)c12 924435 CZTCAUMERKWYNN-UHFFFAOYSA-N 410.495 5.481 0 40 HKAB CC(=O)c1cccc(NC(=O)N2CCC(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 1336709 OEHUBEATGIQUJJ-UHFFFAOYSA-N 418.415 5.035 0 40 HKAB Cc1ccc2cc(CN(CCc3ccccc3)C(=O)c3ccccc3)c(=O)[nH]c2c1C 1359496 PUWNUCZCJGWNJS-UHFFFAOYSA-N 410.517 5.030 0 40 HKAB Cc1cccc2cc(CN(Cc3cccs3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c12 1378199 BIYWMGFKDPMCER-UHFFFAOYSA-N 421.497 5.271 0 40 HKAB CC(C)(C)c1ccc(COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)cc1 1797478 DLTMKHKENBOMOP-UHFFFAOYSA-N 418.920 6.990 0 40 HKAB CSc1nc2sc3c(c2c2nnc(SC/C=C/c4ccccc4)n12)CCCC3 2236843 UMLTZVAIUXBGSX-JXMROGBWSA-N 424.620 5.745 0 40 HKAB O=C(CN1C(=O)c2cccc3cccc1c23)N(Cc1ccccc1)Cc1ccccc1 2502988 QPQMPGRQUNTXAA-UHFFFAOYSA-N 406.485 5.029 0 40 HKAB COc1ccc(-c2nnc(SCc3csc(-c4ccccc4)n3)n2C(C)C)cc1 2626760 BEHCYPRNDDIJGY-UHFFFAOYSA-N 422.579 5.950 0 40 HKAB O=C(c1sc2cc(OC(F)F)ccc2c1Cl)N1CCN(c2ccccc2)CC1 2790307 GMJIMYLYSJGBFU-UHFFFAOYSA-N 422.884 5.119 0 40 HKAB O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](O)c1ccc(Cl)cc1Cl 3063510 NQANIQZMWKQPOB-LJQANCHMSA-N 409.205 6.335 0 40 HKAB CCCOc1ccccc1NP(=O)(Oc1cccc(C)c1)Oc1cccc(C)c1 3170604 PGKVFJOHFNTSMS-UHFFFAOYSA-N 411.438 6.770 0 40 HKAB Cc1cc(OCc2c(F)cccc2Cl)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 3269539 IUCLTPKDEHLCMD-UHFFFAOYSA-N 422.883 6.372 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](N[C@H]1CCCc2ccccc21)c1ccccc1 3351656 LFKBKQKEYPIDKA-WIOPSUGQSA-N 400.522 5.432 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(OCc2ccccc2)cc1 3361052 HEBWOLIHCFHGPN-UHFFFAOYSA-N 407.513 6.426 0 40 HKAB CCCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1cccc(C(F)(F)F)c1 4106630 XNEYWENWLCSJEC-UHFFFAOYSA-N 403.429 5.388 0 40 HKAB CC(C)(C)C(=O)Nc1sc2c(c1C(=O)Nc1cccc3ccccc13)CCCC2 4195853 MTZJNMNZTUDRAY-UHFFFAOYSA-N 406.551 6.017 0 40 HKAB CCCCCOc1ccc(/C=C/C(=O)Nc2nnc(CCCC)s2)cc1OC 4342393 FGMZWNUXEKSOOK-ACCUITESSA-N 403.548 5.110 0 40 HKAB O=C(Nc1cccc(Cl)c1)N(Cc1nnc2n1CCCCC2)c1ccccc1F 4518107 SEEUXWBEVATFBP-UHFFFAOYSA-N 413.884 5.036 0 40 HKAB CCOC(=O)c1c(NC(=O)CCc2ccc(OC)cc2)sc2c1CCCCCC2 4627672 BTOJQCZXDLGJAI-UHFFFAOYSA-N 415.555 5.164 0 40 HKAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(OC)cc1 4816710 JLDSHIOXNNOEAI-NHCUHLMSSA-N 424.932 5.198 0 40 HKAB Fc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2c(Cl)cccc23)cc1 4970179 KIBNALZWLMHAKE-UHFFFAOYSA-N 408.263 6.687 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cc1 5383867 VGJUZCFGNYHXNI-UHFFFAOYSA-N 412.489 6.235 0 40 HKAB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1cc(F)c(F)cc1Cl 6078360 HTONHJBGALPMEE-UHFFFAOYSA-N 404.869 5.873 0 40 HKAB CSC1=NC2=C(CCC/C2=C\c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1 6378747 KLHZPIQXLHOTBC-YFIXDKARSA-N 415.389 6.878 0 40 HKAB Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3ccc4ccccc4c3)cc2)cc1 6479710 GCNHISUVVVNKHL-UHFFFAOYSA-N 410.469 5.767 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1 6613622 IMCFCMAIOAKVMX-UHFFFAOYSA-N 403.532 5.399 0 40 HKAB COc1ccc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c(OC)c1 7306714 BGZRAVZAGAFUKT-UHFFFAOYSA-N 415.445 5.038 0 40 HKAB Cc1cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)c(C)n1-c1ccnn1C(C)C 8055939 BKSJSEPTBUVCKG-LDADJPATSA-N 420.538 5.497 0 40 HKAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OCc1ccc(F)cc1 8193021 GGHGXWMWTLTVNS-XMMPIXPASA-N 418.468 5.142 0 40 HKAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(Br)cc1Cl 8314374 VSPINYRKCYTKKL-UHFFFAOYSA-N 408.601 5.139 0 40 HKAB c1ccc(-c2nc3sc4c(NCc5cccnc5)ncnc4c3c3c2CCC3)cc1 8655649 DFDVKJWZJQGRAD-UHFFFAOYSA-N 409.518 5.402 0 40 HKAB O=C(CSc1nnc(SCCOc2ccccc2)s1)c1ccc(Cl)cc1 8762336 RSYLHBDHMAOWTR-UHFFFAOYSA-N 422.984 5.338 0 40 HKAB CCOc1ccc2cc([C@@H]3CC(c4ccco4)=NN3C(=O)C(C)C)c(Cl)nc2c1 8774893 MIEOITGEPUJCSZ-IBGZPJMESA-N 411.889 5.214 0 40 HKAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1N(c1ccccc1)c1ccccc1 8916769 MKCCCDPJWVDPGM-IDISGSTGSA-N 404.513 6.741 0 40 HKAB Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)n1 9209403 DQDBWJUFTHQGFG-HXUWFJFHSA-N 420.827 5.039 0 40 HKAB CC(C)OC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1 9307603 XVUJXAOKSPGKNC-UHFFFAOYSA-N 422.337 5.285 0 40 HKAB O=C(Cc1ccc(Cl)cc1)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 9413903 GSOXAHFZYRMXSH-UHFFFAOYSA-N 422.843 5.659 0 40 HKAB C[C@H](Sc1ccc2c(c1)OCCO2)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 9690638 UGZMROVYQFOEQP-ZDUSSCGKSA-N 422.531 5.276 0 40 HKAB COc1ccc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c23)cc1Cl 11248002 XGOKNFXFNVZNKT-UHFFFAOYSA-N 411.820 5.252 0 40 HKAB CC(C)CCn1c(S[C@H](C)C(=O)Nc2c(F)cccc2F)nc2ccccc21 12520113 ZCHNJAAQRJQSTH-CQSZACIVSA-N 403.498 5.480 0 40 HKAB CC(C)(C)c1cc(NCCCn2ccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1 13135622 CDGMJSSKRJFZOY-UHFFFAOYSA-N 408.937 5.046 0 40 HKAB aggregator C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NCc1cccs1 13163870 ADQVGFYLANVJRP-MRXNPFEDSA-N 420.559 5.867 0 40 HKAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc(Cl)c4)=NN32)cc1OC 13770230 FFRJHCZUBLVPPE-HYBUGGRVSA-N 420.896 5.600 0 40 HKAB COc1ccc(-c2c(C)nn3c2N=C(c2ccccc2OC)C[C@@H]3c2cccnc2)cc1 14607630 ZQLHGRXPHSVIIM-HSZRJFAPSA-N 424.504 5.385 0 40 HKAB Cc1cc(C)cc(Nc2nc(N3CCC[C@@H](C)C3)nc3c2cnn3-c2ccccc2)c1 17010819 HEIYBJFYALVLIK-QGZVFWFLSA-N 412.541 5.412 0 40 HKAB Cc1cccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1C 17093366 ANDSEAQWPIAHOV-UHFFFAOYSA-N 422.937 6.251 0 40 HKAB C[C@@H]1CC[C@@H]2C(=O)N(CNc3ccc(Oc4ccc5ccccc5c4)cc3)C(=O)[C@@H]2C1 17986779 BWLZDFWYWRTESW-GAZXMLTASA-N 414.505 5.423 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(F)cc2)N2CCOCC2)c1C 20193425 OGEUBVDXRBSGKM-JOCHJYFZSA-N 424.541 5.178 0 40 HKAB Cc1ccc(CSc2nnc(NC(=O)c3cc(-c4cccs4)on3)s2)cc1 21524204 RQISDJWKKHQGQB-UHFFFAOYSA-N 414.537 5.108 0 40 HKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1cccc(CN2CCOCC2)c1 22521411 CYZYERFXLVORRD-UHFFFAOYSA-N 418.562 5.063 0 40 HKAB CSc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(SC)c3)cc2)c1 22622838 NYQWRDZRMZVGHF-UHFFFAOYSA-N 408.548 5.635 0 40 HKAB Cc1cc(-n2c(C)cc(C(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)c2C)no1 23184494 VVBJOCGALBBRCV-NRFANRHFSA-N 409.486 5.111 0 40 HKAB O=C(CSc1nc2ccccc2s1)N(Cc1cccs1)Cc1cccs1 24464835 IALDWMCSYDFHAP-UHFFFAOYSA-N 416.618 5.740 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N2CCCCC2)cc1 28287362 PMAOXIVHMLWQON-QHCPKHFHSA-N 404.554 5.623 0 40 HKAB NC(=O)N[C@H](CC(=O)Nc1ccc(SC2CCCC2)cc1)c1ccc(Cl)cc1 30510686 UMQSECJDMRTWDV-LJQANCHMSA-N 417.962 5.113 0 40 HKAB COc1c(Br)cc(CNc2ccc(C)c(Cl)c2)cc1Br 37188484 HLNUPUFCYKAFCE-UHFFFAOYSA-N 419.544 5.794 0 40 HKAB Cc1cccc2c1CC[C@H](CN1CCC(c3c(Cl)cccc3Cl)CC1)C[C@H]2O 38470880 OHRDCQFCAWLDBP-GAJHUEQPSA-N 418.408 6.167 0 40 HKAB O=C(c1csc(-c2ccccc2)n1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 39980483 CNRCCMJINSGZKS-INIZCTEOSA-N 421.547 5.246 0 40 HKAB COc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccccc1Cl 59409209 JIDMNACFHUORBR-QFIPXVFZSA-N 410.926 5.624 0 40 HKAB CCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(Br)c2)cc1 59483706 NBSDFMRXTQAYDQ-OAQYLSRUSA-N 407.311 5.783 0 40 HKAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2Cc2ccccc2)cn1)C1CCC1 72215432 RNYWBNLBUCFFHW-JOCHJYFZSA-N 407.558 5.713 0 40 HKAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 72356077 FAHLCLSWRBAJLF-OAQYLSRUSA-N 405.929 5.049 0 40 HKAB O=C(c1ccccc1)N1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359337 MOXHOAINHYEDEL-SFHVURJKSA-N 411.427 5.182 0 40 HKAB CC(C)c1noc(-c2ccccc2NC(=O)COc2ccc(Cl)cc2Cl)n1 96346408 SENFEMPTBJDHIK-UHFFFAOYSA-N 406.269 5.184 0 40 HKAB O=C(CCc1ccc(C(F)(F)F)cc1)NCc1cccc(Oc2ccccn2)c1 96382528 RNMVGYDKLUVCEZ-UHFFFAOYSA-N 400.400 5.142 0 40 HKAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 100270664 POAQKNWWPAFEHI-RCDICMHDSA-N 420.475 5.835 0 40 HKAB C[C@H]1C[C@@]2(C)Oc3ccccc3[C@H]3OC[C@@]1(COC(=O)NC1CCCCC1)[C@@H](C)[C@H]32 100562524 HTEHTVFZNJDZHV-QNRNBLPNSA-N 413.558 5.246 0 40 HKAB COc1ccc([C@@H]2OC[C@@]3(COC(=O)c4ccccc4)[C@@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 105366745 VGRINMHUNLQXBU-FBAMQAQXSA-N 406.522 5.458 0 40 HKAB biogenic O=C(COc1ccc(Cl)cc1Br)Nc1ccc(C(F)(F)F)cc1 218854072 BUJRHYYWPCIDJY-UHFFFAOYSA-N 408.601 5.139 0 40 HKAB Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1C 224028249 JOHUAWQZGBOULG-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1cccc(C)c1 224110696 RSCRXMSQFBSIAT-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 224224947 UBULTFAISMNJRQ-VWLOTQADSA-N 420.597 5.102 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1COc1cccc(C)c1 224386434 CFHXLEMHQJLBKF-UHFFFAOYSA-N 419.477 5.012 0 40 HKAB CC(C)C[C@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccccc1 225493827 YAQGUNYSIPAJDH-KRWDZBQOSA-N 411.796 6.176 0 40 HKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(C)c(OC)cc3C)ccc21 225691624 AUTSYTGFHUHVGC-UHFFFAOYSA-N 408.523 5.241 0 40 HKAB CC(C)OCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 253372011 DDHDYFBHPANCQY-LPRBYJFTSA-N 418.581 5.528 0 40 HKAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260816744 PMABKURIJQUDRM-RDPSFJRHSA-N 404.595 5.111 0 40 HKAB COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl 408592925 MHVGTBDFGAPIIL-UHFFFAOYSA-N 401.098 5.110 0 40 HKAB O=S(=O)(c1ccccc1)N(Cc1c(Cl)cccc1Cl)c1ccc(F)cc1 408625244 IPPPTZIQHKGFRD-UHFFFAOYSA-N 410.297 5.528 0 40 HKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccc(Cl)cc2)cc1 408678666 UMNRHTJSXPOUAL-UHFFFAOYSA-N 402.881 5.067 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(C)c(Cl)c2)c1 408697525 KDCILFIGMZSKFN-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB O=C(COc1ccc(Cl)cc1)NCCSCc1c(Cl)cccc1Cl 409025558 SFCMGTVZXKNTFX-UHFFFAOYSA-N 404.746 5.075 0 40 HKAB O=C(CSCc1ccc(Cl)cc1)NCCSCc1c(F)cccc1Cl 409027852 UGWZBWPDMPIHLE-UHFFFAOYSA-N 418.386 5.415 0 40 HKAB CCc1ccc(NCc2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 409120497 WJHWZRMCDNDSTC-UHFFFAOYSA-N 401.937 7.247 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Br 409148231 YOJKAAPKIQCUQI-GZTJUZNOSA-N 424.360 5.464 0 40 HKAB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O)c1ccccc1 409222256 BHZPJUNZKLKTJP-UDWIEESQSA-N 423.877 5.519 0 40 HKAB CC[C@@H](CC(=O)N1CCCC[C@H]1c1ncc(-c2ccccc2)[nH]1)c1ccc(OC)cc1 507282682 PIQLJHXCEBWIMR-CYFREDJKSA-N 417.553 5.723 0 40 HKAB Cc1sc2nc(C3CC3)nc(SCC(=O)Nc3cccc(Cl)c3)c2c1C 1377368 NIRZZUCRVMCVSJ-UHFFFAOYSA-N 403.960 5.570 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(NCc4cccnc4)ncnc32)cc1 1447650 OYKWXJXCHMDXPW-UHFFFAOYSA-N 407.477 5.103 0 40 HKAB Cc1ccc2oc(C(=O)c3ccccc3)c(-c3cnc4c(c3)COc3ccccc3-4)c2c1 2051048 KNXUGNKMCBFFLM-UHFFFAOYSA-N 417.464 6.594 0 40 HKAB Cn1c(NC(=O)c2ccc(C(C)(C)C)cc2)c(-c2ccccc2)c(=O)c2ccccc21 2360696 RBVVRRWWQFSKBN-UHFFFAOYSA-N 410.517 5.755 0 40 HKAB CCCCCCOc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 2590366 NAJGPJFEGKSAGY-UHFFFAOYSA-N 419.315 5.448 0 40 HKAB O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1ccc(-c2ccccc2)cc1 3178916 LBNUWSCJIYNCKA-UHFFFAOYSA-N 412.486 6.530 0 40 HKAB Cc1c(C(=O)c2ccc(Cl)cc2)n2c3ccccc3sc2[n+]1-c1ccccc1 3205166 QFPQIBQCPLMIIV-UHFFFAOYSA-N 403.914 5.624 0 40 HKAB O=S(=O)(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(F)c(F)c1 3225005 SYHPLGMZSVIFPN-UHFFFAOYSA-N 402.447 5.042 0 40 HKAB Clc1ccc(CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1Cl 3351603 FVGHBMNPWAVTCU-UHFFFAOYSA-N 418.374 6.595 0 40 HKAB O=C(CSc1ncnc2sccc12)N(CCc1ccccc1)Cc1ccccc1 3356342 ZYDZMNHBLZXAHO-UHFFFAOYSA-N 419.575 5.055 0 40 HKAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 3358173 LUVRSHMOBQMOJM-JTQLQIEISA-N 416.852 5.437 0 40 HKAB Cc1ccc2c(CSc3nnc(NCc4ccccc4)s3)cc(=O)oc2c1C 3367385 KJUNOMAIJGXSMJ-UHFFFAOYSA-N 409.536 5.166 0 40 HKAB Cc1ccc(NC(=O)COC(=O)Cn2c(-c3ccccc3)cc3ccccc32)cc1C 3416907 HHXIPYYAYZZCPV-UHFFFAOYSA-N 412.489 5.107 0 40 HKAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1 3434660 MAYPCHDRLJXABI-UHFFFAOYSA-N 423.218 5.681 0 40 HKAB Cc1c([C@H]2NC(=O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)c2ccccc2n1C 4107146 QIBIRLHEBQQGBA-SZNDQCEHSA-N 407.583 5.553 0 40 HKAB O=C1O[C@@]2(C[C@@H](c3ccccc3)[C@H]3CCCC[C@]34Nc3ccccc3N24)c2ccccc21 4333670 JQKXIOGQANFJIF-IZHPJMONSA-N 422.528 6.016 0 40 HKAB Cc1nc(N2CCc3ccccc3C2)c2sc(=S)n(Cc3ccccc3)c2n1 4717523 IYTRHYRAVUMRBU-UHFFFAOYSA-N 404.564 5.142 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)ccc21 4868795 LGDNQEAWHIVSPJ-RCCFBDPRSA-N 404.510 5.122 0 40 HKAB CCc1ccc2ncc3c(-c4cccc(OC)c4)nn(-c4ccc(C)c(C)c4)c3c2c1 4970283 FEXUDIMKEPZEGY-UHFFFAOYSA-N 407.517 6.429 0 40 HKAB CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cccc4ccccc34)=NN12 5296419 SZKFGMWDEZPUCX-RUZDIDTESA-N 411.549 5.585 0 40 HKAB c1csc(Cc2nnc(SCc3coc(-c4cccs4)n3)n2C2CC2)c1 5396789 UWTJFLNNSGQBPA-UHFFFAOYSA-N 400.554 5.274 0 40 HKAB Cc1c(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)oc2ccccc12 5792720 XVNRYYNDBPXPGP-UHFFFAOYSA-N 402.837 6.455 0 40 HKAB COc1ccc(-c2nc(-c3cccc4ccccc34)c(-c3ccccc3)[nH]2)cc1OC 5807312 WTEFDMQRKRPOTH-UHFFFAOYSA-N 406.485 6.581 0 40 HKAB Cc1ccc(OC(=O)CCCCCCCCCCC(=O)Oc2ccc(C)cc2)cc1 5929116 ZWKYGFDLZVTEOW-UHFFFAOYSA-N 410.554 6.715 0 40 HKAB COc1cccc(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)c1 6407471 OTONTJJYWRDHRI-UHFFFAOYSA-N 400.912 5.939 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(C(C)(C)C)cc2)N3)C1 6655295 BSRUSMMDPNGWOD-DYESRHJHSA-N 410.627 7.016 0 40 HKAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccccc1-c1ccccc1 7903390 IXCKVWDLRMEEOQ-OAHLLOKOSA-N 404.539 5.277 0 40 HKAB Cc1cccc(Oc2ccc(Cl)cc2NC(=O)CSCc2c(C)noc2C)c1 8071460 ANIYTJQJVNXWAA-UHFFFAOYSA-N 416.930 5.917 0 40 HKAB Cc1ccc(Oc2cc(Oc3cccc(C(F)(F)F)c3)nc(-c3ccccc3)n2)cc1 8873071 NCQIVBCRWFOUEY-UHFFFAOYSA-N 422.406 7.055 0 40 HKAB COc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4cccc(Cl)c4)c3n2)cc1 9668762 MWFQRGCOTJAMIZ-UHFFFAOYSA-N 403.791 5.744 0 40 HKAB Clc1cccc(Cl)c1[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2ncnn21 9805672 LOIXRJYXGNRPOX-GJZGRUSLSA-N 424.129 5.494 0 40 HKAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCc1cccc(Cl)c1 12819033 HJUXBNAKOINAON-UHFFFAOYSA-N 409.700 5.551 0 40 HKAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccc(C)c(C)c2)cc1 15880477 UUBWFIHBHJPVLG-UHFFFAOYSA-N 401.462 5.986 0 40 HKAB biogenic CCn1ncc(CN2CCC(c3cc(Cc4ccc(F)cc4)cc(C)n3)CC2)c1C 19691592 QFEIHVXOWRQERR-UHFFFAOYSA-N 406.549 5.024 0 40 HKAB S=C(c1ccc(Cl)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19842745 YTIREXNKBIRFAM-UHFFFAOYSA-N 406.982 5.423 0 40 HKAB CCCCn1c2ccc(Br)cc2c2cc(NC(=O)c3ccccc3)ccc21 19909686 BNXJAELZVIVHRC-UHFFFAOYSA-N 421.338 6.609 0 40 HKAB O=c1c2c3c(sc2[nH]c(=S)n1C1CCCCC1)CN(Cc1ccccc1)CC3 20158691 DPLKFYAMDWWOHS-UHFFFAOYSA-N 411.596 5.184 0 40 HKAB C[C@@H](NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccccc1 20239935 ZFLRUGICGGYDHI-JOCHJYFZSA-N 412.577 5.632 0 40 HKAB COc1ccc([C@H](NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C(C)C)cc1 21468209 RCQRDEUDPVQJDJ-HSZRJFAPSA-N 412.917 5.450 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OC(C)C)cc1 21580397 STAZEMFHFMNBQL-UHFFFAOYSA-N 401.466 5.278 0 40 HKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1Nc1cccc(Cl)c1 22072911 SVRXNPLFSPSYSV-UHFFFAOYSA-N 407.779 5.630 0 40 HKAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2csc(-c3cccs3)n2)cc1 26791709 KEPKMJFDASBQGP-UHFFFAOYSA-N 419.575 5.672 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)N(Cc3ccco3)c3ccc(Cl)cc3)sc2c1 27795479 GCBYQUNYINOZNP-UHFFFAOYSA-N 416.329 6.957 0 40 HKAB C[C@H](NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)c1ccc(F)cc1 29505547 QANRYCRBRMKICJ-HNNXBMFYSA-N 404.416 5.778 0 40 HKAB CCOc1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(C)c(-c4cccc(Cl)c4)nn32)cc1 32101150 STZZQKKLSGKZSJ-SFHVURJKSA-N 424.888 5.082 0 40 HKAB CCCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc(Cl)cc1 32754349 BKKQNWUYHRTOAL-LBPRGKRZSA-N 405.955 5.542 0 40 HKAB CCOc1cc(-c2ccccc2)nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc12 32986442 HCIRMENWNGUZLR-UHFFFAOYSA-N 416.908 5.884 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F 36616092 XWFDOTOLFSKBFE-UHFFFAOYSA-N 406.848 5.343 0 40 HKAB COc1ccc(NC(=O)N(C)Cc2cccc(Cl)c2Cl)cc1OC(F)F 40104550 KHFZIJNBZWVYSY-UHFFFAOYSA-N 405.228 5.267 0 40 HKAB O=c1c2scc(-c3cccc(F)c3)c2ncn1Cc1cccc(Br)c1 49002890 KKKBSHMBALYWLI-UHFFFAOYSA-N 415.287 5.075 0 40 HKAB CCOc1ccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1CO 56205883 HQEUWIBKWVZPJN-XMMPIXPASA-N 400.478 5.095 0 40 HKAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1)CC2=O 100834584 ZRPNMVLCUYXIQU-ZEQRLZLVSA-N 409.913 5.295 0 40 HKAB C[C@@]12CC3CC(CC(=O)Nc4ccc(C(=O)c5cccs5)cc4)(C1)C[C@@](C)(C3)C2 104084090 WHPZEYUVPOXVOA-RPLYAUGCSA-N 407.579 6.304 0 40 HKAB C[C@@H](CCc1ccccc1Cl)NC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12 141546528 UATOVEOPZMFVJF-INIZCTEOSA-N 418.928 5.040 0 40 HKAB O=C(NCCSCc1ccco1)c1cc(Cl)ccc1OCc1ccccc1 219763664 YHTPUJYENYUVGR-UHFFFAOYSA-N 401.915 5.175 0 40 HKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(Cl)c3)N21 222684034 IEIUJRUMXVYQIH-ORYQWCPZSA-N 408.958 5.505 0 40 HKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4cccc(C(=O)O)c4)o3)N21 222712754 KNPOPJMDJSIINL-ORYQWCPZSA-N 419.506 5.019 0 40 HKAB CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1 222937382 BTEQNZFJWJQBPA-GOTSBHOMSA-N 421.566 5.369 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1cccc(C)c1 224389085 KZVGQSRDPBKNJY-UHFFFAOYSA-N 403.522 6.150 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCC)c(C(=O)OCC)c1 225848073 BBJNEYNDCWQZRR-XMMPIXPASA-N 421.578 5.746 0 40 HKAB C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@H]1C=CC21OCCO1 256407886 BSIINGMJTPRWBF-ZJSPYRCASA-N 402.534 5.641 0 40 HKAB CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 299817164 ISBSSBGEYIBVTO-FITPEODRSA-N 418.662 5.474 0 40 HKAB in-vitro CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccc(Cl)cc1Cl 408560947 GAHLMKLTPOPSFA-FLFQWRMESA-N 419.377 6.210 0 40 HKAB CCCCCC(=O)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 408627812 NYLHPYNELPTVOT-UHFFFAOYSA-N 400.935 5.277 0 40 HKAB Cc1nnc(S/C(=C\c2cccc(OCc3cccc4ccccc34)c2)C(=O)O)o1 408633043 VGPVWOPFDBJILT-BKUYFWCQSA-N 418.474 5.328 0 40 HKAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)c1 408640494 IYMMCBCZUZSFIE-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(F)cc2)cc1 408699475 UKNUZYSUXYMIFT-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3)cc2-c2cccc3ccccc23)c1 408724575 MDZCYXMNHRJQIS-UHFFFAOYSA-N 403.485 6.253 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)C1CCN(C(=O)c2cccc(Cl)c2)CC1 409023002 AUESKVNXYHMARL-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB O=C1N/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1C1CCCCC1 409085942 XPJCJZUFHAFGCY-STZFKDTASA-N 410.901 5.144 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(OCC)c1 409145672 JBEOQWGBCPGWGF-RCCKNPSSSA-N 411.523 5.153 0 40 HKAB O=C(NC1CCCCCC1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409174441 UBJZZVDRJMYYSK-SURISGSSSA-N 414.593 6.436 0 40 HKAB CCCOc1ccc2ccccc2c1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O 409346313 JYKOUSAGIHNDKU-KGENOOAVSA-N 423.921 6.523 0 40 HKAB C[C@@H](CCC[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 605706381 SQTAVUCHOVVOFD-ZIIZQHLTSA-N 414.630 6.662 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)N1CCCC[C@H]1c1ccc(-c2cccc(F)c2)nc1 1848355582 DYRBDYRBWQDEML-VWLOTQADSA-N 413.496 5.665 0 40 HKAB Nc1c(C(=O)c2cccs2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 817984 HBNMVUIHVGEMQG-UHFFFAOYSA-N 404.438 5.857 0 40 HKAB CC(C)c1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccccc4Cl)C3)n2)cc1 1360137 UZLJXJHPPRSATL-GOSISDBHSA-N 409.917 5.533 0 40 HKAB CSc1nnc(-c2sc3cc(C(F)(F)F)cnc3c2-c2ccccc2)n1C 1392028 NUHALYDVMIKWFJ-UHFFFAOYSA-N 406.458 5.500 0 40 HKAB O=C(Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2)Nc1cccc2ccccc12 1441552 LLBUUVIEBOBFED-UHFFFAOYSA-N 424.456 5.486 0 40 HKAB CCOC(=O)Oc1ccc(C(=O)Oc2cc(Cl)c(Cl)cc2Cl)cc1OC 1747316 WSWSLXPWTLFIFP-UHFFFAOYSA-N 419.644 5.410 0 40 HKAB CCCc1ccc(OCCCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 1787209 MEFDAULDFOZTJT-UHFFFAOYSA-N 403.522 6.016 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)cc1 1787479 RDBKOSDCQIOHMD-XNTDXEJSSA-N 410.469 6.202 0 40 HKAB CCOC(=O)[C@@](CCC(=O)O)(CCC(C)C)c1csc(Nc2ccc(C)cc2)n1 2207836 PTAQPBKFVNCULW-JOCHJYFZSA-N 418.559 5.297 0 40 HKAB Clc1ccc2c(c1)[C@@H](c1ccccc1)O[C@H](c1ccc(Br)cc1)N2 2293529 AZGYLCACSFIPSF-WOJBJXKFSA-N 400.703 6.333 0 40 HKAB Cc1ccc(-c2csc(NC(=O)c3c(-c4ccccc4Cl)noc3C)n2)cc1 2543593 MFOAFKHVZFBVCC-UHFFFAOYSA-N 409.898 5.988 0 40 HKAB CC(C)(c1ccccc1)c1ccc(OCC(=O)OCC(=O)c2ccc(Cl)cc2)cc1 3097297 HFYHZXFLDDPPEE-UHFFFAOYSA-N 422.908 5.471 0 40 HKAB CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2cccc(F)c2)cc1 3269707 AGPASELTJRKRHV-UHFFFAOYSA-N 419.374 6.288 0 40 HKAB Cc1ccc(NC(=O)[C@H](N[C@H]2CCCc3ccccc32)c2ccccc2)cc1Cl 3327118 DDMRUARTFYRGKW-BJKOFHAPSA-N 404.941 5.995 0 40 HKAB COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2CCC(C)C)CC1=O 4033594 PRDLTUORZPMLGJ-INIZCTEOSA-N 411.933 5.265 0 40 HKAB O=c1c2ccccc2nc2n1N1[C@H](C[C@@H]2CC/C=C/c2ccccc2)[C@H]1c1ccccc1 4114511 MESUIWVVIPCEAW-YQBBITEPSA-N 419.528 5.439 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3Cl)C3CCCCC3)cc2c1 4231347 WZDSUZRYSMVXPI-UHFFFAOYSA-N 423.944 5.857 0 40 HKAB CCC(=O)c1c(-c2ccc(Cl)cc2)nc2n(CCN(CC)CC)c3ccccc3n12 4561979 JHXYNUIKSFSVSK-UHFFFAOYSA-N 422.960 5.544 0 40 HKAB Clc1ccc(N2N=C(c3cccs3)C[C@@H]2c2ccc(Cl)cc2Cl)cc1 4578208 XVQRQLSFXRAEAQ-GOSISDBHSA-N 407.753 7.064 0 40 HKAB Cc1ccc(Nc2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)cs2)cc1C 4676164 UVOANRDAQBNADZ-UHFFFAOYSA-N 400.887 5.197 0 40 HKAB O=C(COC(=O)c1csc(Nc2ccccc2Cl)n1)c1ccc(Cl)cc1 4691504 RXECQSJBIPCEDD-UHFFFAOYSA-N 407.278 5.233 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1 5099385 SCQDCPIJJFHEDR-UHFFFAOYSA-N 418.493 5.304 0 40 HKAB CCc1ccc(C2=N/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)O2)cc1 5164045 DJAFVOQDPORDJY-UYRXBGFRSA-N 411.379 5.872 0 40 HKAB Cc1ccc(N2C(=O)C[C@]2(C(=O)NC2CCCCC2)c2ccc(C(C)C)cc2)cc1 5483042 MAXCUHRSDOWMFN-AREMUKBSSA-N 404.554 5.200 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)C12CC3CC(CC(C3)C1)C2 5891152 WPOIRAKRLZBHME-UHFFFAOYSA-N 407.366 6.272 0 40 HKAB CC(C)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 6346325 QZFIZZLSTQUQMF-VCHYOVAHSA-N 406.334 6.353 0 40 HKAB CCN(CC)CCCNCC[C@@]1(c2cccc(C(F)(F)F)c2)CCOC(C)(C)C1 6662236 YVHNXIFWXCEDTA-JOCHJYFZSA-N 414.556 5.244 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nncn2-c2ccccc2)c2ccccc2)c1 6830382 BWWKUZNFGWWUJM-JOCHJYFZSA-N 414.534 5.356 0 40 HKAB CCn1c(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccccc1OC 6905460 IFPWBKMQGSKYML-OAHLLOKOSA-N 420.538 5.127 0 40 HKAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1nnc(-c2ccc(F)cc2)o1 6976260 RHWGJUYVIUQQMW-ZDUSSCGKSA-N 407.474 5.187 0 40 HKAB Cc1ccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1C 8071649 ANVUAYGLSONRPB-UHFFFAOYSA-N 414.299 5.021 0 40 HKAB COC(=O)c1c(SC)nc2ccccc2c1OCc1ccc(Br)cc1 8592446 XGTKAFQPUUWMSV-UHFFFAOYSA-N 418.312 5.085 0 40 HKAB aggregator O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1ccc(-c2ccc(Cl)cc2)o1 8722435 TVHVPLFRRDGPFJ-UHFFFAOYSA-N 422.893 6.166 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 8762496 PPRSJCHAPGUHFZ-UHFFFAOYSA-N 403.507 5.506 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc2c(c1)OCCO2 8829318 KIZORUVKWOWXMR-UHFFFAOYSA-N 422.440 5.672 0 40 HKAB Cc1cc(NC(=O)c2ccccc2Cl)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442003 FMNUOWBDTBNPPU-UHFFFAOYSA-N 412.877 5.349 0 40 HKAB C[C@@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(C(=O)c2ccc(Cl)cc2)n1 12856738 BTGKNDJAZLRZJA-MRXNPFEDSA-N 420.871 6.171 0 40 HKAB CC(=O)N(c1nc(/C=C/c2nc3ccccc3s2)cs1)c1cccc(C)c1C 12995755 PYCRGFFLASGCQA-VAWYXSNFSA-N 405.548 6.225 0 40 HKAB COc1ccc(-c2nc(C)c3c(N)c(C(=O)c4ccc(Cl)cc4)sc3n2)cc1 13624616 IGUPQYIESHCLPA-UHFFFAOYSA-N 409.898 5.142 0 40 HKAB Cc1noc2nc(-c3ccc(Cl)cc3)cc(C(=O)N(C)[C@H](C)CCc3ccco3)c12 13642020 VGFHEFBCWLSEBO-CQSZACIVSA-N 423.900 5.538 0 40 HKAB CCc1ccccc1-n1nc(-c2ccc(OC)cc2)c(Cl)c1-c1ccc(OC)cc1 13960683 SZWHSEWYGDEMRD-UHFFFAOYSA-N 418.924 6.439 0 40 HKAB O=c1oc2ccccc2cc1-c1csc(SCc2ccc(Cl)c(Cl)c2)n1 16525688 HNMVYYNNLSEWDA-UHFFFAOYSA-N 420.342 6.516 0 40 HKAB O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 16685368 LUXUXSNPDRCJDY-NRFANRHFSA-N 423.438 5.224 0 40 HKAB Cc1ccc(-c2nc(CSc3nc(C)c(Cc4ccccc4)c(O)n3)c(C)o2)cc1 16841304 GBZQWCDOKAQOGC-UHFFFAOYSA-N 417.534 5.646 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 17088127 UXYSDJBDXHNCOK-UHFFFAOYSA-N 408.885 5.388 0 40 HKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c1 17090364 RZIANDXAWPFZCE-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB C[C@@H]1CCCN(c2nc(Nc3cccc(Cl)c3)c3cnn(-c4ccccc4)c3n2)C1 17245762 VRSPIZSMWFSHCG-MRXNPFEDSA-N 418.932 5.449 0 40 HKAB CC(=O)Nc1ccc(C(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)cc1 19691430 JSFROIXREDGDJU-UHFFFAOYSA-N 413.521 5.035 0 40 HKAB Cc1ccc(NC(=O)c2cnc(Nc3nc(-c4ccccc4)cs3)nc2C)cc1C 19819576 KSNULXIGVOIEQV-UHFFFAOYSA-N 415.522 5.521 0 40 HKAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc32)cc1 20489964 NZKKLOQLLIYKOM-UHFFFAOYSA-N 422.981 5.425 0 40 HKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 20490784 DVTUMDUSAJCKPE-YULRPQQCSA-N 417.593 6.486 0 40 HKAB Cc1cccc2sc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)nc12 20915466 MWZNUJWCTXAIKB-UHFFFAOYSA-N 407.109 5.866 0 40 HKAB CCn1cc(C(=O)Nc2c(C)cccc2C(C)C)c(=O)c2cc(C(F)(F)F)ccc21 22236968 FECXMNQFQBOUJC-UHFFFAOYSA-N 416.443 5.724 0 40 HKAB CN1CCc2c(sc(NC(=O)C3CCCCC3)c2-c2nc3ccccc3s2)C1 23153877 AXJDOTUWIVCAMF-UHFFFAOYSA-N 411.596 5.532 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CSc1ccc(-c2ccccn2)n1-n1cccc1 27753615 CCAKVURKWCRPNY-UHFFFAOYSA-N 422.941 5.356 0 40 HKAB Cc1nn(-c2ccc(NC(=O)c3cccc(Br)c3)cc2)c(C)c1Cl 28573076 FCDFCIYAUSTBEU-UHFFFAOYSA-N 404.695 5.157 0 40 HKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1C 30861991 NMNNPMYJMXEEMR-VQTJNVASSA-N 416.521 5.200 0 40 HKAB O=C(NC(=S)Nc1ccc(F)cc1F)c1sc2cc(Cl)ccc2c1Cl 33684708 DUQURSGQZOSMOJ-UHFFFAOYSA-N 417.289 5.613 0 40 HKAB CC(C)=CCC[C@H](C)CCNC[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@H]12 33699216 GFNAIMIAENVOOC-XPSCAIQQSA-N 423.729 8.183 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 39760086 JRPLUVWTKRMBQX-UHFFFAOYSA-N 420.940 5.983 0 40 HKAB CC(C)(C)c1ccc(-c2ccc(NC(=O)C[C@H]3CCS(=O)(=O)C3)c(Cl)c2)cc1 40074441 FSBDTTSPBVXCFF-OAHLLOKOSA-N 419.974 5.068 0 40 HKAB Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)Nc2nc(C)cs2)cc1 44086438 XFLAJBLVVCEGMH-UHFFFAOYSA-N 420.563 5.343 0 40 HKAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccccc2OCc2cccc(F)c2)S1 85412282 UNKLHDHNRAKKFA-HXUWFJFHSA-N 411.502 5.362 0 40 HKAB C[C@@]12CN(Cc3ccccc3)C[C@](C)(CN(Cc3ccccc3Br)C1)C2 100509547 PLQAUTSTPBCGLO-DHIUTWEWSA-N 413.403 5.183 0 40 HKAB CC(C)C(=O)N1c2ccccc2N=C2C[C@H](C)CC(O)=C2[C@@H]1c1cc(F)cc(F)c1 102585948 UPZMSKWKRYAILL-PSLXWICFSA-N 410.464 6.023 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C5(C)OCCO5)[C@@]4(C)CC[C@@H]32)C1 118914824 JYRJWVYVMVQZQS-HFWOUJIZSA-N 400.559 5.180 0 40 HKAB CN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@@H]([C@@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]3C1(C)C 118936273 PLKVWYPBRRRIQG-SEZHYBAISA-N 400.695 5.964 0 40 HKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(Cl)cc4)o3)N21 222711686 DAKZMLRQPQXEDW-ORYQWCPZSA-N 409.942 5.974 0 40 HKAB O=C(NCc1cccc2ccccc12)C1CCN(Cc2c(F)cccc2Cl)CC1 222876587 CRFOPHALTCVDPA-UHFFFAOYSA-N 410.920 5.161 0 40 HKAB C[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc2c(c1)CCC2 223157773 AVWLKWUVGMNJED-AWEZNQCLSA-N 404.373 5.048 0 40 HKAB C[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc2c(c1)CCC2 223215562 YIXCOKTUMVWQSN-IBGZPJMESA-N 417.574 5.837 0 40 HKAB COc1cccc(OCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1 223458465 IFKUJZJMOZKKQE-UHFFFAOYSA-N 407.535 5.105 0 40 HKAB CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1 224107157 QPLSPBMEMBZTRJ-UHFFFAOYSA-N 422.550 5.107 0 40 HKAB Cc1ccc(OCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)c(C)c1 224381359 JRAKZVBOFVXROO-UHFFFAOYSA-N 421.562 5.283 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccc(OC)cc1 224598178 XEMQROSLTCOCDJ-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB Cc1cc(C)cc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)c1 224704452 PNWISRZUJIAUCL-QFIPXVFZSA-N 420.597 5.021 0 40 HKAB CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 225516219 FUWOPEQELHIHBO-UHFFFAOYSA-N 412.549 5.387 0 40 HKAB CC(=O)[C@H](C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(c1ccccc1)c1ccccc1 226338255 PBSTWIYTCPQRBP-KTEAYJLESA-N 406.566 6.028 0 40 HKAB COc1ccc(OCCNc2cccc([C@H]3CCCN(C4CCCCC4)C3)n2)cc1 257229691 FZDVERMHOFTTGY-FQEVSTJZSA-N 409.574 5.093 0 40 HKAB S=C(NCc1ccc2c(c1)OCO2)c1ccccc1OCc1ccc(Cl)cc1 408576661 QHYYFNSZBHGJRH-UHFFFAOYSA-N 411.910 5.113 0 40 HKAB O=C(O)c1cccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)c1 408607350 KBVVQSBPIHICCY-UHFFFAOYSA-N 402.277 5.883 0 40 HKAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)Cc1cccc2ccccc12 408714151 JXSVGXXWCSMWTN-UHFFFAOYSA-N 413.521 5.388 0 40 HKAB CC(C)Cn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 409089984 POFDRACFRVKGMD-UHFFFAOYSA-N 418.925 5.124 0 40 HKAB Cc1c(Cl)cccc1NCc1ccc(OCc2ccccc2Cl)c(Cl)c1 409119263 SEFQHCGRMIWPOW-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1CCCc1ccccc1 409124754 BQRGRLOQZRDVRO-RCCKNPSSSA-N 423.921 6.269 0 40 HKAB Cc1ccc(S(=O)(=O)Oc2ccc(CNc3ccc(C)c(Cl)c3)cc2)cc1 409128277 FDQPLHDGYQYFKI-UHFFFAOYSA-N 401.915 5.337 0 40 HKAB COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1cc(C)ccc1C 409375610 NACOQNDZQIUGJY-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccccc4C)sc3n2)cc1OC 661392 WYYXCRUIYGWOKR-UHFFFAOYSA-N 419.506 5.123 0 40 HKAB Cc1cccc2c(SCC(=O)N3CCCCCC3)nc(-c3ccc(F)cc3)nc12 1367648 MBPDVYZBPFZXOT-UHFFFAOYSA-N 409.530 5.239 0 40 HKAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)c3cccs3)c(Cl)nc2c1C 1367727 BIBDLQDUHDDIJB-UHFFFAOYSA-N 410.926 6.002 0 40 HKAB CC[C@]1(C)Cc2c(sc3nc(SCc4ccccc4Cl)nc(N)c23)CO1 2221237 DMHMWCJRVFHTFI-LJQANCHMSA-N 405.976 5.461 0 40 HKAB CC1(C)C[C@](C)(c2ccccc2)c2ccc(N)cc2N1C(=O)c1ccc(Cl)cc1 2334692 VKRQUFJGDNZKTD-RUZDIDTESA-N 404.941 6.057 0 40 HKAB CCc1nc(SCc2ccc(OC)cc2)c2c3c(sc2n1)COC(C)(C)C3 2358624 OKGFEGPSNOYXKL-UHFFFAOYSA-N 400.569 5.406 0 40 HKAB COc1ccc(C)cc1-n1nnnc1S[C@H](c1ccccc1)c1ccc(Cl)cc1 2635005 RQNNSVMFTPOSFO-OAQYLSRUSA-N 422.941 5.514 0 40 HKAB COc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)cc1 2974781 UQWKAKBDHQVTHH-UHFFFAOYSA-N 420.516 6.017 0 40 HKAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)Nc1cc(Cl)cc(Cl)c1 3229962 WUXUFAYLSGALNM-UHFFFAOYSA-N 419.293 5.256 0 40 HKAB CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)c(Cl)c2)cc1 3666985 QJRVWMAVYDXNLM-OAQYLSRUSA-N 413.304 6.163 0 40 HKAB Cc1nc2ccc3nc(NC(=O)c4ccc(Br)cc4)sc3c2s1 4031616 KDDIMZNTFKHCMJ-UHFFFAOYSA-N 404.314 5.229 0 40 HKAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccc(C)cc3C)c2c1 4610369 QWELIBLYVLKMHZ-UHFFFAOYSA-N 414.936 6.987 0 40 HKAB CCOc1ccc(-c2cnc(NCc3c(Cl)cccc3Cl)n2CCOC)cc1 4679096 LXIBSBCSJJPIIX-UHFFFAOYSA-N 420.340 5.514 0 40 HKAB O=C(Nc1ccc(Cl)cc1)C1=C2SC=C(c3ccc(Cl)cc3)N2CCCC1 4948824 UCGKSGMAAGNTOA-UHFFFAOYSA-N 417.361 6.375 0 40 HKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@@H](c1ccccc1)C(Cl)(Cl)Cl 5007415 NODGGCSNXDZVRD-RTXFEEFZSA-N 415.575 5.805 0 40 HKAB O=C1O[C@](c2cccc3c(O)cccc23)(c2ccc(O)c3ccccc23)c2ccccc21 5224299 FYTQPKHDZGMAGQ-NDEPHWFRSA-N 418.448 5.867 0 40 HKAB Cc1cc(C(C)(C)C)cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1O 5613280 IXAGFCSHDBLFIW-UHFFFAOYSA-N 411.354 5.432 0 40 HKAB COc1ccc(-n2c(SC/C=C\c3ccccc3)nnc2-c2cccs2)cc1 5810878 ZQRCDPHOHQLYKN-UITAMQMPSA-N 405.548 5.810 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nc(-c3ccccc3)n[nH]2)c2ccccc2)c1 6178292 SUVBTDTWUFIPBC-OAQYLSRUSA-N 414.534 5.561 0 40 HKAB CC1CCN(C(=S)c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)CC1 6395782 SXLNIAXFPYBTHY-UHFFFAOYSA-N 412.357 6.119 0 40 HKAB CCN(CC)c1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c(C)c1 6629931 OSWCGRUIYSMOOS-UHFFFAOYSA-N 410.370 5.275 0 40 HKAB O=C(NCc1ccc(F)cc1)c1ccc2nc(-c3ccoc3)c(-c3ccoc3)nc2c1 6678083 JFJFSBUZQFYXNC-UHFFFAOYSA-N 413.408 5.219 0 40 HKAB CCCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)c1 6891122 XOZJEWCXBXFZQP-UHFFFAOYSA-N 418.518 6.013 0 40 HKAB COc1ccc(Cl)cc1-c1nnc(SCc2ccc(Cl)cc2Cl)o1 7605090 XAHVYWQDLPBTAI-UHFFFAOYSA-N 401.702 5.998 0 40 HKAB Cc1c(C(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)oc2ccccc12 7737392 FHBMQIRHBXBPNZ-UHFFFAOYSA-N 411.763 5.209 0 40 HKAB COc1ccc2cc(CN(C)CC(=O)Nc3cccc(Cl)c3Cl)ccc2c1 7926611 BHUBNTGBPPMMHV-UHFFFAOYSA-N 403.309 5.226 0 40 HKAB CC[C@H](Oc1ccccc1F)C(=O)NCCSCc1ccc(Cl)cc1Cl 8041248 FLEFDMZATDICEY-KRWDZBQOSA-N 416.345 5.340 0 40 HKAB FC(F)(F)c1cc(C(F)(F)F)c2ccc(SCc3ccc(Cl)cc3)nc2n1 8763259 CQZAFHYSRUFYEZ-UHFFFAOYSA-N 422.781 6.613 0 40 HKAB O=C(CSc1nnc(-c2ccc(O)cc2)o1)c1ccc([C@@H]2CC2(Cl)Cl)cc1 9145853 FWPBLPXGTXOZKI-HNNXBMFYSA-N 421.305 5.078 0 40 HKAB Cc1c(NS(=O)(=O)c2cccc(Cl)c2)cccc1-c1nc2cccnc2s1 9278548 ZVXNQCTYIFLUIK-UHFFFAOYSA-N 415.927 5.121 0 40 HKAB CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1 9582164 ZHNXJNPTOWDRHT-UHFFFAOYSA-N 404.535 5.289 0 40 HKAB O=C(CSc1nnc(-c2ccncc2)n1C1CC1)c1cc(Cl)sc1Cl 9991403 NWBXBQWLEIGWLJ-UHFFFAOYSA-N 411.339 5.018 0 40 HKAB CCCCc1cc(=O)oc2cc(C)c3c(c12)O[C@@H](c1ccc(OC)c(OC)c1)CC3=O 11867456 INAWCEXECMPPAV-LJQANCHMSA-N 422.477 5.168 0 40 HKAB biogenic CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 12582126 CJXLAZCJVZXDAK-PNCHPQGNSA-N 423.553 5.274 0 40 HKAB Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)coc2c1C 12586628 GQRFODQQJGDJIR-OAQYLSRUSA-N 405.494 5.117 0 40 HKAB CCOc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1OCC 13007147 LAYUCCBPKNGLCQ-NRFANRHFSA-N 413.564 5.395 0 40 HKAB Clc1ccc(CSc2nnc(COc3cccc4ccccc34)o2)c(Cl)c1 13388741 RDFPYLZHLWOLKX-UHFFFAOYSA-N 417.317 6.401 0 40 HKAB C[C@@H](CC(=O)N(C)c1ccccc1C(=O)Nc1ccccc1Cl)c1ccccc1 14189584 NCLFCULOBWTJAB-KRWDZBQOSA-N 406.913 5.749 0 40 HKAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1ccc(Cl)cc1C(F)(F)F 15448429 VEZPWJQZWJQZFH-UHFFFAOYSA-N 412.795 5.186 0 40 HKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1cc(Cl)c(Cl)cc1Cl 17089382 WGHGFDKHGNSPSL-UHFFFAOYSA-N 412.744 6.712 0 40 HKAB Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCCN2Cc2c(C)nn(C(C)C)c2C)n1 19691916 ZPIAYXTYJZOSPK-SANMLTNESA-N 420.576 5.851 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 20107836 ZQJRFHQIOMKHQV-QFIPXVFZSA-N 411.954 6.428 0 40 HKAB Cc1cc(NC(=O)c2cc(Br)ccc2Cl)ccc1-c1ccc(CO)o1 20138502 QVFDXUALUSJNHX-UHFFFAOYSA-N 420.690 5.416 0 40 HKAB CN(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)(C)C)cc1Br 20459499 CFXAEXOKLJKJOP-UHFFFAOYSA-N 424.766 5.437 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20459713 PDSLEDVHTOVUGI-UHFFFAOYSA-N 406.913 5.554 0 40 HKAB CC(C)Oc1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 20495533 SCKAJXGKXARIPI-UHFFFAOYSA-N 400.522 5.679 0 40 HKAB CCOc1cc(/C=C/c2ccc3ccc(Cl)cc3n2)ccc1O[C@@H](C)C(=O)N(C)C 23611515 AKNVKFPFAKPQHB-RFKZRZAASA-N 424.928 5.313 0 40 HKAB O=C(COc1cccc(Oc2ccccn2)c1)Nc1nc2ccc(Cl)cc2s1 24461193 LAXBKWGZJMFLRW-UHFFFAOYSA-N 411.870 5.155 0 40 HKAB CCc1cc([C@H](c2ccncc2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 27755712 QDWZKDRBEXLOQO-QFIPXVFZSA-N 405.567 5.533 0 40 HKAB CCN(CC)[C@@H](CNC(=O)COc1ccc(C)c(C)c1)c1ccc(C(C)(C)C)cc1 28290630 QMUSUQXJBKHAOH-DEOSSOPVSA-N 410.602 5.179 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCc2csc(-c3ccccc3)n2)c1 28293799 BDNOBYOPKPDLAN-GOSISDBHSA-N 408.567 5.368 0 40 HKAB O=C(Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1)c1cccc(Cl)c1 35264237 SJNZUOMBUFQSLT-UHFFFAOYSA-N 419.695 6.151 0 40 HKAB O=C1S/C(=C\c2cccc(OCc3ccccc3)c2)C(=O)N1c1cccc(Cl)c1 35339440 SFBQFWNPCFJRMC-BKUYFWCQSA-N 421.905 6.160 0 40 HKAB O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2cc(-c3ccc(F)cc3)nn12 36615676 LGOPKIPYGCMTRO-UHFFFAOYSA-N 402.212 5.207 0 40 HKAB C[C@@H](c1ccc(Cl)cc1)N(C)Cc1nc(-c2cc(Br)cs2)no1 40157200 LVPIELRITDYPAP-JTQLQIEISA-N 412.740 5.407 0 40 HKAB Cc1cccc(CN2CCC(C(=O)Nc3ccccc3C(=O)c3ccccc3)CC2)c1 44915824 XZSLHWFBXRXVQF-UHFFFAOYSA-N 412.533 5.077 0 40 HKAB CCc1ccc(CNC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1 64472604 QLHRFZTZEWKODD-UHFFFAOYSA-N 400.547 6.007 0 40 HKAB CCc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1 67294448 SUQXDCIFYLPKKT-PNHLSOANSA-N 402.881 6.133 0 40 HKAB Cc1ccc(C)c(C[S@](=O)[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 84142471 GBXJXDPLLPVINB-PFUSGODGSA-N 417.880 5.252 0 40 HKAB CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)n1 91695104 AIOQJBGBZBEWEW-UHFFFAOYSA-N 419.834 5.739 0 40 HKAB Cc1cc(Cl)cc(C)c1Oc1ccc(Cl)cc1NC(=O)c1ccn(C)c(=O)c1 95948427 XTNYQPVLLVFSJM-UHFFFAOYSA-N 417.292 5.354 0 40 HKAB CSCC[C@H](NC(=O)c1nc(Cl)sc1CC(C)C)c1nc2ccccc2[nH]1 96223743 DEUOTXKWCMCNIP-AWEZNQCLSA-N 423.007 5.096 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Br)cc1F 98073069 QLIFAAUJCAOFCN-UHFFFAOYSA-N 411.580 5.904 0 40 HKAB O=C1/C(=C/Nc2cc(Cl)cc(Cl)c2)c2ccccc2C(=O)N1Cc1ccccc1 103004885 RZRCPDSIUVGPBD-FYJGNVAPSA-N 423.299 5.629 0 40 HKAB CC/N=C1\S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1CC 109596508 CCZBLYBNBKHMMT-DNLCFCFBSA-N 400.931 5.231 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](Oc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 118927544 LUZSRGCUNDRXTQ-FELPTUEHSA-N 408.582 6.329 0 40 HKAB CC1=C(CC[C@@H](C)CO)O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 118936259 KIDQUNOGEXTBNB-HLSSWAHXSA-N 414.630 5.618 0 40 HKAB c1ccc([C@@H]2Cc3ccc4ccccc4c3C2=C2c3ccccc3-c3ccccc32)cc1 169442183 AREPCFBCWXOFPI-LJAQVGFWSA-N 406.528 8.119 0 40 HKAB CCOc1c(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cccc1OC 215274418 VPAOEDUVSVPGNE-LICLKQGHSA-N 421.877 5.123 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 219353265 WVCCLFKYJLABGR-HXUWFJFHSA-N 421.884 5.017 0 40 HKAB Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)CC(C)(C)O2 222728000 GYRYNHGWHICYAD-SFHVURJKSA-N 424.393 5.954 0 40 HKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2ccccc2)c1C 222899897 BWSBJSUPSPTQSG-DHIUTWEWSA-N 404.583 5.180 0 40 HKAB Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 223361092 KIAJWGMHXSEIGE-FGZHOGPDSA-N 419.481 5.246 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224925890 IFDRXSSMVKSBDN-UHFFFAOYSA-N 406.844 6.362 0 40 HKAB COc1ccc(NC(=S)NCCSCc2ccccc2Cl)cc1Cl 225296158 UYNXEUSXEBSHLN-UHFFFAOYSA-N 401.384 5.222 0 40 HKAB C[C@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 225503702 RXSAEZNAQPUWOU-NRFANRHFSA-N 406.570 5.390 0 40 HKAB COc1ccc(NC(=S)NCCCSCc2ccccc2C)c2cccnc12 225602508 YERQCNJXEKPEIL-UHFFFAOYSA-N 411.596 5.162 0 40 HKAB Cc1ncsc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257299943 RSGVIODHFGZPEC-QGZVFWFLSA-N 401.919 5.051 0 40 HKAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O 409013368 NDVLUSXSZPNBCR-MQMKENTISA-N 415.486 5.248 0 40 HKAB CCOc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)cc1 409120038 SSMHYZVBYQTJFH-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(F)cc1 409376659 CHVVYTLKOCPLGZ-UHFFFAOYSA-N 414.864 5.117 0 40 HKAB O=S(=O)(Cc1ccccc1)Nc1ccccc1-c1csc(-c2ccccc2F)n1 585318517 ILBLLQCCGVACEO-UHFFFAOYSA-N 424.522 5.558 0 40 HKAB CC(C)[C@@H]1CC2(CCN(Cc3cncn3C)CC2)CO[C@H]1c1cccc(Cl)c1 1615526768 ANPCLOJLMHHQCI-VXKWHMMOSA-N 401.982 5.090 0 40 HKAB CC(C)CCN1C(=O)N(c2ccccc2)[C@H](N(O)C(=O)Nc2ccccc2)C1(C)C 1275508 DFYYUCZVDHFAOD-HXUWFJFHSA-N 410.518 5.003 0 40 HKAB CC(C)c1ccc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2c1 1342817 TUDLYWRFLDZAFJ-UHFFFAOYSA-N 401.535 5.354 0 40 HKAB aggregator COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)cc1 1447659 DBJCJVLWLUNOJB-UHFFFAOYSA-N 406.489 6.148 0 40 HKAB CCCCSc1nc2nc3c(cc2c(=O)n1-c1ccc(C)cc1)CO[C@@](C)(CC)C3 1906475 CIOZZOWLZHJUJL-DEOSSOPVSA-N 423.582 5.223 0 40 HKAB Cc1cccc(-n2c(SCCc3ccccc3)nc3sc4c(c3c2=O)CCC4)c1 2313662 NXRNIFVOGOLJCW-UHFFFAOYSA-N 418.587 5.579 0 40 HKAB O=C(Oc1ccc2c(=O)c(-c3ccc(Br)cc3)coc2c1)c1ccccc1 2405841 UWTDXNFBJPJXJX-UHFFFAOYSA-N 421.246 5.442 0 40 HKAB biogenic CCCCCCc1c(C)c2ccc(OCC(=O)c3ccc(F)cc3)c(C)c2oc1=O 2433912 LNHGJDDKYISUCY-UHFFFAOYSA-N 410.485 5.933 0 40 HKAB biogenic CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)c1C 2658567 NNFGDKFEGHQWQU-UHFFFAOYSA-N 414.556 5.021 0 40 HKAB CCCOc1c(Cl)cc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc1OC 2850096 ALRVXNJUYLZSBW-CXUHLZMHSA-N 406.265 5.135 0 40 HKAB Cn1c(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1-c1ccccc1 3338412 NDTUVWKZXDEWHL-QHCPKHFHSA-N 424.529 5.680 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3ccc(Cc4ccccc4)cc3)n2)cc1 4075721 CCVFJAIOFWEZFR-UHFFFAOYSA-N 400.503 5.662 0 40 HKAB Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1ccccc1Cl 4129785 YXPREYZUMAZBDE-UHFFFAOYSA-N 420.940 6.451 0 40 HKAB Cc1ccc(SCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1 4496448 YBQZJROXNCBYKS-UHFFFAOYSA-N 406.532 5.708 0 40 HKAB COc1ccc([C@H]2CC(c3cccc4ccc(=O)oc34)=Nc3ccccc3S2)cc1 4648802 FEFYXQNTYVYLSU-HSZRJFAPSA-N 413.498 6.160 0 40 HKAB Cn1c(-c2ccccc2)c([C@H]2c3ccccc3C(=O)N2Cc2ccco2)c2ccccc21 4747651 LCBMGERLIWXPJU-HHHXNRCGSA-N 418.496 6.184 0 40 HKAB CC[C@]1(C)N=C(SCC(=O)Nc2ccc(F)c(Cl)c2)C(c2ccccc2)=N1 4890938 OKQVUOXCNPFKPV-FQEVSTJZSA-N 403.910 5.178 0 40 HKAB CCCCn1nc(NC(=O)c2ccc(C(C)(C)C)cc2)c2cc3ccccc3nc21 5047208 GZEMCDDFQLYCAA-UHFFFAOYSA-N 400.526 5.934 0 40 HKAB N[C@@H](CSC1(c2cccc3ccccc23)c2ccccc2-c2ccccc21)C(=O)O 5049529 MLVVICBYRJUQFB-DEOSSOPVSA-N 411.526 5.257 0 40 HKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2ccc(Cl)cc2)N1 5071900 LSCMSVNPHXIXLW-NRFANRHFSA-N 400.869 5.139 0 40 HKAB Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@H]2c2cccs2)c(C)c1 5451045 STWXOOOBHHHVKL-HSZRJFAPSA-N 404.535 5.103 0 40 HKAB Cc1cc(NC(=O)c2ccccc2Cl)ccc1NC(=O)c1cc2ccccc2o1 5960499 JAKJJRFCSYMZRV-UHFFFAOYSA-N 404.853 5.899 0 40 HKAB C[C@H](CCc1ccccc1)NC(=O)COc1ccc2ccccc2c1Br 6218931 NWWSZLHAEWRRFF-MRXNPFEDSA-N 412.327 5.119 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)cc1 6235008 AWVQMFKYNDSTKY-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB CC(C)(C)c1nc2ccccc2n1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl 6313597 LHKFMRBKFQQBDR-UHFFFAOYSA-N 410.732 5.933 0 40 HKAB CCN(CC)c1ccc(/C=C2\Sc3ccccc3C2=O)c(OCc2ccccc2)c1 6325318 VMYBMHPWDKTNQI-XYGWBWBKSA-N 415.558 6.441 0 40 HKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3Cl)s2)c1C 6623636 ZMAAENBEBCLASV-UHFFFAOYSA-N 404.948 5.283 0 40 HKAB Cc1ccc(-c2noc(CNC(=O)c3ccccc3SCc3ccccc3)n2)cc1 7684962 GFJXXZMDCAPULS-UHFFFAOYSA-N 415.518 5.267 0 40 HKAB Cc1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 8470704 NTDFCAXTHDRSNM-UHFFFAOYSA-N 409.283 5.262 0 40 HKAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2 9135337 GAIXUCZAPRYECZ-UHFFFAOYSA-N 402.450 5.028 0 40 HKAB O=C(Cn1c(Br)nc(-c2ccccc2)c1-c1ccccc1)c1ccccc1 9428454 UDQDDEMUXBZJGW-UHFFFAOYSA-N 417.306 5.863 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)s1 9643938 BSVHVCJKEYZTBE-UHFFFAOYSA-N 419.959 5.190 0 40 HKAB Cc1cc(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c(C(C)C)cc1Cl 12578865 HBSRIDDZIQZHJM-HXUWFJFHSA-N 411.933 5.391 0 40 HKAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1nnc(/C=C/c2ccc(F)cc2)[nH]1 12757143 QUXJDMNZHWFHND-RUNBWSAHSA-N 416.909 5.195 0 40 HKAB CCOC(=O)c1oc2ccccc2c1CSc1nnc(C2CC2)n1Cc1ccco1 12774202 GEOMMAADWHQYNZ-UHFFFAOYSA-N 423.494 5.012 0 40 HKAB Cc1noc(C)c1CC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 13108146 ZOAVRFZYVYSGBG-UHFFFAOYSA-N 421.497 5.330 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1nc2ccccc2s1 13128531 BVHBNZYOMMJBFB-UHFFFAOYSA-N 415.877 5.324 0 40 HKAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4cccc(OC)c4)cc3c2C)cc1 15729490 JYMHQERFAXYTTR-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB biogenic Cc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)cc1 17087532 MVNINYLFFGGMKC-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)sc2c1 17088415 CXBSRSHCROYJKZ-UHFFFAOYSA-N 410.351 5.347 0 40 HKAB Cc1cccc(Nc2nc(NCCC3=CCCCC3)nc3c2cnn3-c2ccccc2)c1 17135434 SHQAENZXDJCFCJ-UHFFFAOYSA-N 424.552 6.170 0 40 HKAB O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]21 19369001 UYZBJXQZRJZFTA-HJOGWXRNSA-N 420.553 5.018 0 40 HKAB Cc1cc(C(=O)Nc2ccc(Br)cc2)c2c(C)nn(-c3ccccc3)c2n1 20283100 NHPZSVWVFLJQKD-UHFFFAOYSA-N 421.298 5.052 0 40 HKAB Cc1ccccc1C(=O)N[C@@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 20418397 YORBLZOBLZYTSX-FQEVSTJZSA-N 403.869 5.218 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc(C(C)C)cc1 21580743 PNIILTXCJJABIU-UHFFFAOYSA-N 415.493 5.379 0 40 HKAB CC(C)COc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc1 27584244 NDMZPSYSJZMXGZ-OAQYLSRUSA-N 400.588 5.130 0 40 HKAB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1nc(-c2ccco2)no1 29739282 MORKUPSZPJGFMI-CYBMUJFWSA-N 409.515 5.276 0 40 HKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)C1 30941457 PIYOGOXOFGYONG-FQEVSTJZSA-N 400.522 5.963 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(-c4nc(-c5ccccc5)no4)c3)no2)cc1 32594039 UWOMGYYOXTZLLX-UHFFFAOYSA-N 422.444 5.619 0 40 HKAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 32623197 MLSFYGAKARCOBC-CQSZACIVSA-N 421.403 5.088 0 40 HKAB CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(NC)cc3)C[C@@]21C 34103129 IBLXOBHABOVXDY-JLJZZNPESA-N 415.577 5.382 0 40 HKAB biogenic CCOc1ccccc1NC(=O)c1sc2nc(-c3ccc(C)cc3)ccc2c1N 35682592 SBMNHCKNFZXTQK-UHFFFAOYSA-N 403.507 5.505 0 40 HKAB COc1cccc([C@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)c1OC(C)C 36357279 XEEUFMIENHDVJD-OAHLLOKOSA-N 401.532 5.053 0 40 HKAB Cc1ccc([C@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2)cc1 44880661 UUYVUTHXSRMVHU-HXUWFJFHSA-N 406.334 5.370 0 40 HKAB CCCCOc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)no2)cc1 46086448 LTTGRCUZDFYNFD-UHFFFAOYSA-N 415.287 5.535 0 40 HKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 57335528 IJMANBCLWONWAL-UHFFFAOYSA-N 417.328 5.369 0 40 HKAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccccc1OC(=O)c1ccc(Cl)cc1 59959052 WHMRIHWFNQMIAQ-UYRXBGFRSA-N 421.811 5.043 0 40 HKAB CC(=O)N(C)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 65492447 OCYWRAYPXLHYTG-UHFFFAOYSA-N 412.411 5.607 0 40 HKAB Cc1ccc(C)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)c1 67294859 SUPQYWGQISEJHE-PNHLSOANSA-N 417.896 5.891 0 40 HKAB Cc1cc(Br)c2oc(-c3ccc(Br)cc3Cl)nc2c1 73638116 NWIFRBLJNAMWAX-UHFFFAOYSA-N 401.485 5.982 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H](C(=O)O)[C@@H]([C@@]3(C)CCCCC3=O)CC[C@@]21C 85341245 CGYXDTVDPDQBGI-IVSNMVJQSA-N 404.635 6.742 0 40 HKAB biogenic,in-vitro Cc1oc(-c2cccs2)nc1C(=O)N1CCCc2cc(Br)ccc21 95953798 VJGPKGWSOYVHJH-UHFFFAOYSA-N 403.301 5.067 0 40 HKAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 96627141 SKUOIQOQRKKGSP-OAHLLOKOSA-N 412.839 5.089 0 40 HKAB CN(C)c1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cccs4)C3=C(O)C2)cc1 100429219 DYHIJTJYHJAKNN-CRICUBBOSA-N 415.562 6.443 0 40 HKAB COc1ccccc1[C@@H]1C2=C(O)C[C@H](c3ccc(O)cc3)CC2=Nc2onc(C)c21 102731638 ROGOAEAYQCQEIE-QRQCRPRQSA-N 402.450 5.305 0 40 HKAB CCc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nn(-c4ccccc4)c(O)c32)cc1 102897684 ASOGAMOYKIBHBD-OAQYLSRUSA-N 413.521 5.990 0 40 HKAB CCc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 106722431 OEAKLHRHCCNGQO-BOPFTXTBSA-N 402.313 5.248 0 40 HKAB Fc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 223107512 VRYAUFKJTOFCNV-DHIUTWEWSA-N 420.557 5.317 0 40 HKAB Cc1ccc(CNC(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C(=O)C(C)C)cc1 223347801 SCDJTMHPIKGCBG-VWLOTQADSA-N 414.549 5.037 0 40 HKAB CCc1ccc(O[C@H](CC)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 224001511 GBMUCZZHKIVVQR-QGZVFWFLSA-N 401.919 5.217 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1ccccc1C 224098578 ORQZORVZZVRRFF-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB COc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccc2ccccc2c1 224311442 MTJCYHRJVIGIDU-UHFFFAOYSA-N 411.501 6.297 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COCc1ccccc1 224753904 PCADQNFDFSIFFE-SFHVURJKSA-N 423.940 5.947 0 40 HKAB CSc1ccccc1NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224889979 MTZRZCWFWAVPKW-UHFFFAOYSA-N 417.328 5.397 0 40 HKAB Cn1c(=O)sc2cc(NC(=O)c3cccc(OCc4ccccc4Cl)c3)ccc21 225058327 SBLHBSNUCVXOKZ-UHFFFAOYSA-N 424.909 5.085 0 40 HKAB O=C(O)[C@@H](Cc1ccccc1Sc1ccccc1)Oc1ccc2ccccc2c1 225131935 FKABYIRZYORPRC-HSZRJFAPSA-N 400.499 6.066 0 40 HKAB CN(C)CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 225551111 BDNKTTJHKHXBPE-UHFFFAOYSA-N 414.977 5.511 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(Br)c1 225677223 CORQYVNVMJPWPV-MRXNPFEDSA-N 405.361 5.346 0 40 HKAB COC(=O)CCc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccccc3)CC[C@@H]1C(C)(C)O2 257251591 JRKHMEKLKSRWKG-UWDQQESISA-N 408.538 5.432 0 40 HKAB O=C(O)COc1cc(F)ccc1-c1cc(-c2cccc(F)c2)n(Cc2ccccc2)n1 257297593 RHZGKJJLONKSQQ-UHFFFAOYSA-N 420.415 5.007 0 40 HKAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1cc(Cl)ccc1OC 408562764 SBGCVJUHKSDGBD-GYHWCHFESA-N 414.958 5.565 0 40 HKAB O=C(Nc1ccc(Cl)cc1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408625032 WOARUGWONXQIJW-UHFFFAOYSA-N 409.272 5.735 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1cccc(Cl)c1Cl 408625534 YMBOJZUSEZOMMS-JSRAGOMMSA-N 420.295 5.390 0 40 HKAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 408642088 NSQIECXHMUQMIV-HNNXBMFYSA-N 405.325 5.110 0 40 HKAB Cc1ccc(OCCCC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 408705655 KOLHTUGJWWAESR-UHFFFAOYSA-N 405.563 6.393 0 40 HKAB O=C1S/C(=C\c2ccccc2OCc2ccccc2)C(=O)N1c1ccccc1Cl 409060108 STUXNMWKRGSHFF-STZFKDTASA-N 421.905 6.160 0 40 HKAB COc1cccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1OC(C)C 409127276 CEYSYCHQSXMJEN-HMMYKYKNSA-N 411.523 5.152 0 40 HKAB CCCc1sc(NC(=O)CC[C@@H](O)c2ccccc2)nc1-c1cc(C)ccc1C 409193087 BMHGBDMJLALOKB-HXUWFJFHSA-N 408.567 5.832 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(Cl)cc1 624742 HMTKHULXHWCVAJ-UHFFFAOYSA-N 420.925 5.319 0 40 HKAB O=C(O)c1c(-c2ccccc2)oc2ccc(OCc3ccc(Cl)c(Cl)c3)cc12 1797717 OZIYTYNTNFDSFP-UHFFFAOYSA-N 413.256 6.684 0 40 HKAB biogenic CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 2056847 VQYAWERPAGMESA-UHFFFAOYSA-N 400.478 6.234 0 40 HKAB COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)c1 2108086 NGTYIDRNJTUKEY-UAUKEORUSA-N 407.554 5.085 0 40 HKAB CCOc1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1 2148883 LZNCBLXFSFAPGP-UHFFFAOYSA-N 405.450 5.126 0 40 HKAB biogenic Clc1cccc(Cl)c1CSc1nnc(-c2ccccn2)n1-c1ccccc1 2431357 LMPOEBHHGQHHNT-UHFFFAOYSA-N 413.333 5.928 0 40 HKAB Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2Cc2ccccc2Cl)c1 2689358 PCBYJPBJWLJXLG-UHFFFAOYSA-N 404.941 6.749 0 40 HKAB COc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)Cc2ccccc2)cc1 2721166 PWNJZGXZAGUNCL-UHFFFAOYSA-N 416.546 5.295 0 40 HKAB CCOC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CC[C@@H](C(C)(C)C)C2 2734428 YQBPYQLTEKJLMZ-CFRMROPGSA-N 417.596 5.789 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)nc2c1 3032301 VZKSZGGLMSZBEH-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB Cc1ccc(S(=O)(=O)N[C@H](c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 3221566 RMYFWQPJUCBPJL-CQSZACIVSA-N 413.153 5.038 0 40 HKAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(C(F)(F)F)cc1 3235985 SRBRSDBMHLUVKA-UHFFFAOYSA-N 423.387 5.612 0 40 HKAB Cc1ccc(-c2csc3ncnc(Nc4cccc(Oc5ccccc5)c4)c23)cc1 3275610 LVCRXGHQPAGNSF-UHFFFAOYSA-N 409.514 7.203 0 40 HKAB Cc1ccc(-c2csc3ncnc(OCC(=O)Nc4ccccc4Cl)c23)cc1 3366011 FCHDQCLAYQYDJV-UHFFFAOYSA-N 409.898 5.338 0 40 HKAB CSc1ccccc1NC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 3526111 ZGSJIIVBLMPEAK-UHFFFAOYSA-N 416.518 6.719 0 40 HKAB COc1ccc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)cc1 4059645 GZVFCKJWVTUOSX-UHFFFAOYSA-N 402.519 5.429 0 40 HKAB CC1=C(CC[C@@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 4081833 IQDKIMJGXXRZGR-MEBFULDVSA-N 416.646 5.698 0 40 HKAB biogenic,in-vitro CCOc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)ccc1OC 4361241 TUNILUVCMUTWAA-FDDCHVKYSA-N 406.507 5.398 0 40 HKAB Cc1cc(C)cc(NC2=C[C@H](c3cccc(F)c3)N(c3cc(C)cc(C)c3)C2=O)c1 4628761 WTFMVOCITYXSMI-RUZDIDTESA-N 400.497 6.143 0 40 HKAB Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1ccc(Br)cc1 4678428 FHVFUOIYVDPPAD-UHFFFAOYSA-N 418.338 6.129 0 40 HKAB Cc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccccc12)Cc1ccccn1 4920503 WZUSQYMJPDQXDB-UHFFFAOYSA-N 414.578 5.621 0 40 HKAB CCOc1ccc2ncc3c(-c4ccc(OC)cc4)nn(-c4ccc(C)cc4)c3c2c1 4970141 KNTHNSVBCGEHDZ-UHFFFAOYSA-N 409.489 5.956 0 40 HKAB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@@H]3[C@H]4C(=O)O[C@@H]5C[C@H]3C[C@H]45)cc2)c1 5049747 DHMDNSWXOBKFEQ-DYNDKMGHSA-N 405.494 5.047 0 40 HKAB CCCC[C@H](CC)CNP1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 5591140 ZTMBUUVEJZMXSJ-FQEVSTJZSA-N 411.551 7.815 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 5952165 OUSOEGSGYVXLIW-UHFFFAOYSA-N 400.478 6.153 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2)cc1OCc1ccccc1 6380373 DLLZHPLYBANNHV-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB Cc1nc2ccc(NC(=O)c3ccccc3SCc3c(C)noc3C)cc2s1 6543208 RWOMOTDJVFITEI-UHFFFAOYSA-N 409.536 5.754 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c(C)c1 6714722 LBZHYZODRSYDHS-UHFFFAOYSA-N 410.926 5.876 0 40 HKAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21 8959023 YQYPQWTTZVCWGB-UHFFFAOYSA-N 424.585 5.249 0 40 HKAB COc1ccc(Oc2c(-c3ccc(OCc4ccc(C)cc4)cc3O)n[nH]c2C)cc1 8996996 OBMVSAANWKCEPQ-UHFFFAOYSA-N 416.477 5.779 0 40 HKAB Cc1cc(NC(=O)c2ccc3ccccc3c2)ccc1NC(=O)c1cc2ccccc2o1 9849909 OVDOYFIUVPSYRO-UHFFFAOYSA-N 420.468 6.399 0 40 HKAB Cc1cc(C)c2nc(Nc3ncc4c(n3)C[C@H](c3cccs3)CC4=O)nc(C)c2c1 10157485 FVVJLEASNVVNSB-HNNXBMFYSA-N 415.522 5.063 0 40 HKAB CC(C)Cc1ccc([C@H](C)c2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)cc1 12391481 DSXKPDJVSBBBQG-YWZLYKJASA-N 420.538 5.049 0 40 HKAB CCOc1cc2c(cc1NC(=O)Cc1sc(C)nc1-c1cccs1)O[C@@H](C)C2 12917995 JQHCCXHYZTXLLA-LBPRGKRZSA-N 414.552 5.083 0 40 HKAB Cc1ccc(OCc2nc3ccccc3n2CC(=O)Nc2ccc(C)c(F)c2)cc1 13040990 PJYRRFJUZPGKRV-UHFFFAOYSA-N 403.457 5.010 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)CCSCc1ccccc1)c1ccccc1 13684891 PNAOYICDODJUFY-IBGZPJMESA-N 418.562 5.440 0 40 HKAB O=C([C@H]1CCC[C@@H]1c1ccc(Cl)cc1)N1CCN=C1Cc1cccc2ccccc12 13774233 HLPFHHVQRDDGTI-RPWUZVMVSA-N 416.952 5.860 0 40 HKAB Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)C[C@H](c1cc(F)cc(F)c1)C3 14163829 IVKDVOWVUSPXGB-OAHLLOKOSA-N 423.850 5.549 0 40 HKAB COc1cccc([C@@H]2CC(O)=Nc3sc(C(=O)Nc4ccc(F)cc4)c(C)c32)c1 15106721 AENNYNISIJJJQZ-KRWDZBQOSA-N 410.470 5.580 0 40 HKAB COc1ccccc1C(=O)Nc1cc2c3c(c1)[C@@H]1CCC[C@H]1CN3C[C@H]1CCC[C@H]21 18191862 DKJZTZCRPBGKCN-KJWXAFIESA-N 402.538 5.549 0 40 HKAB O=C(O)[C@@H](c1c(-c2ccccc2)[nH]c2ccccc12)N1CCC(Cc2ccccc2)CC1 20730034 XUHYFUKVLRMZGS-HHHXNRCGSA-N 424.544 5.915 0 40 HKAB Clc1ccc(OCc2ccccc2Cl)c(CNC2C3CC4CC(C3)CC2C4)c1 22073905 GWZAVALJSCYFSZ-UHFFFAOYSA-N 416.392 6.487 0 40 HKAB Cc1ccc([C@@H](NC(=O)COc2ccc(Br)c(C)c2)c2ccccc2)cc1 22508496 OLHHVSNMTRFYQL-QHCPKHFHSA-N 424.338 5.351 0 40 HKAB O=C1CN(C(=O)CCC2CCCCC2)[C@H](c2ccccc2)c2ccc(Cl)cc2N1 28048073 ZKKWEQTZNUELOR-XMMPIXPASA-N 410.945 5.571 0 40 HKAB CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 40149076 XEVFPWCGJMYXOK-MRXNPFEDSA-N 424.488 5.538 0 40 HKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1 40485507 RKEWZTQBIDRTGH-QFIPXVFZSA-N 407.872 5.840 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c(CN2CCN(c3ccccc3F)CC2)c1C 54105767 SZSRMUBYOZZHHM-UHFFFAOYSA-N 423.557 5.079 0 40 HKAB CCOc1ccc(CN(CCCn2ccnc2)C(=O)Nc2ccc(Cl)cc2)cc1 58016008 VFRMQZICEHVCEH-UHFFFAOYSA-N 412.921 5.060 0 40 HKAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(OC(F)F)cc1 60037637 AMYBOFVACFXMGZ-AWEZNQCLSA-N 401.482 5.659 0 40 HKAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3c(F)cc(F)cc3-c3ccccc3)cc2)n1 61188283 CRGWFZITABUBKJ-UHFFFAOYSA-N 417.459 5.746 0 40 HKAB CSc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)c1 67296721 NZPQRSBNPPVCDP-BZZOAKBMSA-N 401.491 5.343 0 40 HKAB CC(C)n1c([C@H](C)NC(=O)c2cc(Cl)ccc2Br)nc2ccccc21 72290243 GRXUQQFEDOSQMC-LBPRGKRZSA-N 420.738 5.524 0 40 HKAB COC(=O)N(C)c1ccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1 83869358 DPBLKTGEBSJXKM-UHFFFAOYSA-N 423.083 5.150 0 40 HKAB COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C(=O)/C2=C\Nc1ccc(C)cc1 85434151 ICOLARHHHROGNC-HAHDFKILSA-N 412.489 5.260 0 40 HKAB COc1cccc([C@H]2CC(c3ccccc3)=NN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 89469783 IWLKNQLVYOQMBR-GUMMOOENSA-N 414.549 5.589 0 40 HKAB CCOc1ccc(-c2cc3c(SCc4c(C)noc4C)nccn3n2)cc1Cl 90610267 JEYWAWCTHTZWFM-UHFFFAOYSA-N 414.918 5.346 0 40 HKAB N[C@@H](CCCCCCCCCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 95944493 BMTWHPRKIVHWBW-DEOSSOPVSA-N 423.553 5.265 0 40 HKAB O=C(C1c2ccccc2Oc2ccccc21)N1CCC(Oc2ccc(Cl)cn2)CC1 96024927 TZLYFWTUPZNZBR-UHFFFAOYSA-N 420.896 5.043 0 40 HKAB Cc1nn(-c2ccccc2)c(NC(=O)c2cccs2)c(-c2ccc(Cl)cc2)c1=O 101192633 QIEZSWRKQPBOJP-UHFFFAOYSA-N 421.909 5.175 0 40 HKAB CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccnc1 101999011 WFEWCWPMZIKIJY-DEOSSOPVSA-N 403.526 5.920 0 40 HKAB CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(C(C)C)cc4)cs3)C(=O)[C@@H]21 102247436 MOPVZCFMGRPAIT-JYWFKMLOSA-N 406.551 5.415 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCSCc1ccccc1 216489472 GEXZLPMDTHYWLP-UHFFFAOYSA-N 400.396 5.276 0 40 HKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(SCc2ccccc2)s1 222816270 OJZNSJGYFCSTHF-OAHLLOKOSA-N 421.547 5.390 0 40 HKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 222984198 MBRZKEQZVAAWLE-XMMPIXPASA-N 416.521 5.030 0 40 HKAB Cc1cc(C)c([C@H](C)NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1C 223475566 NLVKIQNBJRDWFK-IBGZPJMESA-N 407.941 6.335 0 40 HKAB CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 224124767 BCLXRSFEPIEQOC-INIZCTEOSA-N 419.396 5.645 0 40 HKAB CCc1ccc(NC(=O)c2ccc(OC)c(COc3cccc4ccccc34)c2)cc1 224300667 BUUVXLGINFXUTG-UHFFFAOYSA-N 411.501 6.242 0 40 HKAB COc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccc2ccccc2c1 224309836 KWDQOBDCXCDGRL-UHFFFAOYSA-N 403.522 5.880 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2F)cc1CSc1ccc(Cl)cc1 224347427 PEIBOPPYJRPHPV-UHFFFAOYSA-N 401.890 6.032 0 40 HKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 224415964 HWMHRAXXHTXWFH-PKTZIBPZSA-N 420.557 5.705 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1Cl 224764473 YBQMPCCZWCWARB-UHFFFAOYSA-N 402.277 6.437 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 225319685 RHMYGGSGSIQTSM-HXUWFJFHSA-N 418.364 6.269 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cccc(C(F)(F)F)c1 225685965 SUSIHJLBGWFOFU-INIZCTEOSA-N 410.461 5.303 0 40 HKAB C[C@@H]1CCN(C(=O)CN2CCC[C@H]2c2nc3ccccc3s2)c2ccccc2S1 245237805 XGTNCRXWEGUSKF-APWZRJJASA-N 423.607 5.351 0 40 HKAB CCOc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1 253497857 SDDXAJAVPWQDGV-ZREJJHDXSA-N 408.626 6.872 0 40 HKAB CC1=C(C)C[C@H](C(=O)N2CCC(c3ccc(Cc4ccccc4C)cn3)CC2)CC1 257299086 RORNNXNELLHSBY-RUZDIDTESA-N 402.582 5.823 0 40 HKAB O=C(CSc1nc2ccccc2s1)N1c2ccccc2S[C@H]2C=CC=C[C@H]21 408542267 IAPJZVQXXRVAGX-QAPCUYQASA-N 408.573 5.391 0 40 HKAB Cc1ccc(C)c(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)c1 408618298 FYPWNHYJZLOGPS-UHFFFAOYSA-N 402.881 5.698 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc1OCC 408623213 RQGHHAZQHUUFMR-UHFFFAOYSA-N 405.494 6.227 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2ccc(F)cc2)cc1 408698649 QWPVDCKKHQXUHF-UHFFFAOYSA-N 422.463 5.787 0 40 HKAB O=C(Nc1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 408963369 AJFXQODTQNTJPE-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB O=C(Nc1ccccc1C(=O)OCc1ccc(Cl)c(Cl)c1)c1ccccc1 409182309 KNBSVIOEUCXSPD-UHFFFAOYSA-N 400.261 5.603 0 40 HKAB O=C(CSc1cccc2ccccc12)Nc1ccc(Cl)c(Br)c1 409204664 JFTGUTUJZAVICN-UHFFFAOYSA-N 406.732 5.987 0 40 HKAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1 409342832 FNUDNNQMVDLGII-STZFKDTASA-N 416.502 5.077 0 40 HKAB COc1ccccc1-c1ccc([C@@H](C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)cc1 607606783 GNVCCZBEICAJMA-LJQANCHMSA-N 411.505 5.381 0 40 HKAB Cc1ccc(COc2c3c(nc4ccc(C)cc24)CCN(Cc2ccc(C)cc2)C3)cc1 1775966700 UWODJWZXQCAMSO-UHFFFAOYSA-N 422.572 6.297 0 40 HKAB Cc1ccc(Oc2cccc(C(=O)N3C[C@H](C(C)(C)C)O[C@H](C(C)(C)C)C3)c2)cc1 1889070286 NFQYMIQPAUIITK-ZRZAMGCNSA-N 409.570 6.089 0 40 HKAB CC[C@@H]1O[C@@H]2c3cc(C(=O)O)ccc3OC(C)(C)[C@H]2C[C@H]1c1cccc(Cl)c1 2037849920 MGAXRHAXIMJNKI-MCNSAMFCSA-N 400.902 5.849 0 40 HKAB COc1ccc(NC(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCCC2)cc1 1378166 PJMRJAFXKGJPOM-UHFFFAOYSA-N 419.525 5.212 0 40 HKAB CCCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 2050766 ARHWNBCKSJDPBX-UHFFFAOYSA-N 400.478 6.153 0 40 HKAB CC(=O)Oc1ccc2cc(-c3nc(-c4ccc5c(c4)CCCC5)cs3)c(=O)oc2c1 2072344 GPZILKDZJGHPGS-UHFFFAOYSA-N 417.486 5.388 0 40 HKAB CCc1cccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)c1 2116556 MBCVYEYFNRXYCH-UHFFFAOYSA-N 411.501 5.611 0 40 HKAB biogenic c1ccc(COc2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)cc2)cc1 2248176 NSBZOTVCPOCZKI-UHFFFAOYSA-N 402.497 6.990 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cccc(Cl)c2)cc1 2329316 WPFRYJHPDAODAR-UHFFFAOYSA-N 420.896 5.195 0 40 HKAB Cc1ccc([C@H](Nc2ccccc2)[P@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 2371714 TXCZOZZUBXYZQI-FYBSXPHGSA-N 422.509 6.200 0 40 HKAB Clc1ccc(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)c(Cl)c1 2437310 SWYMXEDDEXGMGH-UHFFFAOYSA-N 416.120 6.133 0 40 HKAB Cc1cc(C)c(-c2csc(NC(=O)COc3ccc4ccccc4c3)n2)c(C)c1 3174970 DEFHJKJWXDDHSP-UHFFFAOYSA-N 402.519 5.906 0 40 HKAB O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ncc(Cl)cc1Cl 3220999 LMVFOVNTCFKIKH-UHFFFAOYSA-N 415.685 5.052 0 40 HKAB aggregator Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2cccc3ccccc23)cc1 3297895 ZQCIPIVLSVTZBJ-UHFFFAOYSA-N 423.468 5.175 0 40 HKAB O=C(c1ccccc1)[C@H](OC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccccc1 3376608 QEIKHYQQNUFHBM-XMMPIXPASA-N 418.920 6.319 0 40 HKAB CN(Cc1ccc(Cl)c(Cl)c1)Cn1nc2c(Cl)cc(Cl)cn2c1=S 3570121 YFLQMUKCSQAYDK-UHFFFAOYSA-N 422.168 5.568 0 40 HKAB CCCCCCN(CCCCCC)CC(=O)Nc1c2c(nc3c1CCC3)CCCC2 4018685 ZIKDWVDWFNZCBI-UHFFFAOYSA-N 413.650 5.850 0 40 HKAB biogenic CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]5CC=CC[C@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 4025007 XGZQDBRFMPJPBO-VANMJNHGSA-N 410.598 6.032 0 40 HKAB biogenic O=C1OC(c2ccc3ccccc3c2O)(c2ccc3ccccc3c2O)c2ccccc21 4416415 QELHXIAPFXFETO-UHFFFAOYSA-N 418.448 5.867 0 40 HKAB Cc1ccc(-c2cc(C(F)F)nc(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1 4762822 JIGNZZLBPIWVJZ-UHFFFAOYSA-N 414.887 5.370 0 40 HKAB COc1cc2c(cc1OC)[C@H]1CCCC[C@H]1O[C@@H]2c1ccc2oc3ccccc3c2c1 4783769 BWCLFDYZBYENDD-YSLVQDFJSA-N 414.501 6.749 0 40 HKAB O=C(CN1C(=O)C[C@H](c2ccco2)Sc2ccccc21)Nc1cccc(Cl)c1 5053323 WTWDKIYTOVRMSN-LJQANCHMSA-N 412.898 5.142 0 40 HKAB Cc1ccc(NC(=O)[C@H](Sc2nnc(-c3ccccc3C)o2)c2ccccc2)cc1 5434785 YUQNYXJVRVOOPC-OAQYLSRUSA-N 415.518 5.826 0 40 HKAB Cc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2Cc2ccco2)cc1 5477839 UFTYDMJJRSCGEO-UHFFFAOYSA-N 409.486 5.238 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nc3ccc(SC(F)F)cc3s2)cc1 5523894 IGUDXSRCYSJSHZ-UHFFFAOYSA-N 408.495 6.042 0 40 HKAB O=C(N/C(=C\c1cc(Cl)ccc1Cl)c1nc2ccccc2[nH]1)c1ccccc1 5545779 JKNKWFNUDPQNQO-MOSHPQCFSA-N 408.288 5.798 0 40 HKAB O=C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NCc1ccccc1 6228382 AODQZBDHSNZPHV-UHFFFAOYSA-N 423.581 6.028 0 40 HKAB O=Cc1c(-c2ccccc2)nn(-c2ccccc2)c1Oc1cc(Cl)ccc1Cl 6344719 FXKJLUAHUSYMIX-UHFFFAOYSA-N 409.272 6.451 0 40 HKAB Cc1cc2nc(-c3cccc(NC(=O)COc4ccccc4Cl)c3)oc2cc1C 6501366 SRKPJWAJGCGJND-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB O=C(c1ccc2ccccc2c1)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 6536845 HSERSZBIWQNMBW-UHFFFAOYSA-N 414.452 5.604 0 40 HKAB COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)cc1OC 6847357 KLLUXTMIHCIHJO-XYOPDGACSA-N 407.554 5.085 0 40 HKAB COc1ccc2oc(-c3ccc(C)c(NC(=O)Cc4ccc(Cl)cc4)c3)nc2c1 8590845 ZQLLORFKPMGRHE-UHFFFAOYSA-N 406.869 5.646 0 40 HKAB C=Cc1ccc(COc2ccc(-c3n[nH]cc3Oc3ccc(OC)cc3)c(O)c2)cc1 8973105 QJZPZNMQHBFKIC-UHFFFAOYSA-N 414.461 5.805 0 40 HKAB Oc1cc(OCc2ccccc2)ccc1-c1n[nH]cc1-c1ccc(Br)cc1 9130753 JPPJLUSQDUFJAC-UHFFFAOYSA-N 421.294 5.791 0 40 HKAB Cc1ccc([C@@H](NC(=O)c2ccccc2NC(=O)c2ccco2)c2ccccc2)cc1 9337238 NEJDHYHBCOLDPS-DEOSSOPVSA-N 410.473 5.360 0 40 HKAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)Nc1ccc(Cl)c(Cl)c1 9379761 PDFSKJXSPKWQIK-UHFFFAOYSA-N 422.268 5.304 0 40 HKAB O=C(Nc1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl)c1ccccc1F 9892029 BKCYKUCUUUCIAC-UHFFFAOYSA-N 417.292 6.662 0 40 HKAB O=C(/C=C/c1ccccc1Cl)Nc1nc(SCc2ccc(F)cc2)ns1 12375270 DEORNJALMGFFHN-JXMROGBWSA-N 405.907 5.275 0 40 HKAB O=C(CSc1ccc2ccccc2n1)Nc1ccc(OCc2ccccc2)cc1 12534752 YOENRXWWOCYAGR-UHFFFAOYSA-N 400.503 5.545 0 40 HKAB O=C(CSc1cccc2cccc(Cl)c12)NCCc1ccc(OC(F)F)cc1 13018032 DOQKMRSGENUPJK-UHFFFAOYSA-N 421.896 5.546 0 40 HKAB CC(C)=CCc1c(O)ccc(-c2coc3cc(O)c(CC=C(C)C)c(O)c3c2=O)c1O 13546400 KKFAKKIIFUFASS-UHFFFAOYSA-N 422.477 5.300 0 40 HKAB biogenic,in-vitro COc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(C(C)(C)C)cc1)O2 13799390 BGVVYWWQBQMVOY-RSXGOPAZSA-N 412.533 6.235 0 40 HKAB COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)c1 14132310 MRLZUZQUDIWINN-FYJGNVAPSA-N 405.475 5.094 0 40 HKAB O=C(CSc1ccc(Br)cc1)Nc1ccc(Br)cc1F 15327069 LOCJVVXUWQLEMP-UHFFFAOYSA-N 419.113 5.082 0 40 HKAB CC(C)c1ccc(NC(=S)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 16313116 NBUAPJGOGPNWII-UHFFFAOYSA-N 405.571 5.604 0 40 HKAB C[C@@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccc(Cl)cc1 17959835 LWMNPMPIDLDCPV-MRXNPFEDSA-N 405.885 5.058 0 40 HKAB Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)C[C@@H]3C=CCC3)cc2)on1 19123843 KDHMLECPJDFJGM-GOSISDBHSA-N 416.525 5.203 0 40 HKAB O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(Cc1ccc(F)cc1)CO3 19882346 MWVYMAYYRROBKS-UHFFFAOYSA-N 421.855 5.605 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)oc12 19887870 NOCYDOGMADPXCZ-INIZCTEOSA-N 414.461 5.185 0 40 HKAB C[C@H]1CC[C@H](C)[C@@H](NC(=O)Nc2cccc(NC(=O)N[C@@H]3C[C@@H](C)CC[C@@H]3C)c2)C1 20569692 IGGGFPGDTBGUDH-KIHPVRBWSA-N 414.594 5.579 0 40 HKAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCC[C@@H]1c1cccs1 29916477 ZXUQAHBXLVNDTJ-QGZVFWFLSA-N 417.987 5.351 0 40 HKAB CCOc1ccccc1C(=O)N(CC)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 32622428 LUDGNMYTGOMWND-SANMLTNESA-N 412.533 6.127 0 40 HKAB O=C(CSc1nc(N2CCCCC2)nc2ccccc12)Nc1ccc(Cl)cc1 33114717 DVSNUYMHSFZNJB-UHFFFAOYSA-N 412.946 5.004 0 40 HKAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1cc(Cl)ccc1Oc1ccccc1 40049316 YPLCZZSTBLRNMZ-HXUWFJFHSA-N 424.909 5.574 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(C)=O)cc1 49005063 ZCGXNQODHBSFBU-FQEVSTJZSA-N 416.525 5.289 0 40 HKAB Cc1cc(Br)ccc1NC(=O)C(C)(C)Oc1ccc(C(C)(C)C)cc1 59294368 GNCRBEUWGNPAPW-UHFFFAOYSA-N 404.348 5.851 0 40 HKAB CC(C)c1ccc(CNc2c(C(=O)N3CCOCC3)cnc3ccc(Cl)cc23)cc1 67288322 XOCNSWFUKPFUJJ-UHFFFAOYSA-N 423.944 5.096 0 40 HKAB COc1ccc(S(=O)(=O)c2cnc3c(F)cccc3c2-c2cccc(F)c2)cc1 71328630 YNUTXHVMYIYXSR-UHFFFAOYSA-N 411.429 5.021 0 40 HKAB CCCN(CCCc1nc2ccccc2o1)Cc1nnc(-c2ccccc2Cl)o1 72308187 NWGBSFIDVOVFSN-UHFFFAOYSA-N 410.905 5.376 0 40 HKAB Cc1c(Br)c(N)c(Br)c2nc(-c3cccc(F)c3)oc12 73639511 KCVRLQRZLSVCHD-UHFFFAOYSA-N 400.045 5.050 0 40 HKAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1ccccc1SC(F)F 96103578 FGXOGXCEBWQQSO-UHFFFAOYSA-N 414.433 5.050 0 40 HKAB OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc(Cl)cc2)C[C@H](c2ccccc2)C1 100425667 VYHRPYQSAWOKNB-BVZFJXPGSA-N 400.909 6.969 0 40 HKAB Cc1ccc(OCCN2C(=O)S/C(=C\c3cc(Cl)cc(Cl)c3O)C2=O)cc1 106781759 ULYCLFDDLMZRBX-SXGWCWSVSA-N 424.305 5.123 0 40 HKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1 107732352 LIJNXOPLDNEYLF-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5CC=CC[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118918347 XGZQDBRFMPJPBO-KMMQCJLJSA-N 410.598 6.032 0 40 HKAB Cc1ccc2nc(C(F)(F)F)n(CC(=O)Nc3cc(Cl)c4oc(C)cc4c3)c2c1 141590386 VFKKHBIEUGEDLW-UHFFFAOYSA-N 421.806 5.710 0 40 HKAB c1ccc(-c2ccc(OCc3nnc(C45CC6CC(CC(C6)C4)C5)s3)cc2)cc1 199408882 NREKZOZGAHRZCB-UHFFFAOYSA-N 402.563 6.252 0 40 HKAB Cc1c([C@H](N[S@@](=O)C(C)(C)C)C(F)(F)F)sc2nc(-c3ccccc3)cn12 211441186 GNXIIPIKXAPPEZ-QZXCRCNTSA-N 415.506 5.026 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1C(C)C 223314668 UDDNHOYOYVZVLY-FQEVSTJZSA-N 408.586 5.604 0 40 HKAB CC1(C)CCc2cc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)ccc2O1 223704358 YSZLPTUXLMBCRA-UHFFFAOYSA-N 421.562 5.181 0 40 HKAB Fc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224175895 JODBUPGDYZABAC-PKTZIBPZSA-N 414.509 5.189 0 40 HKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccccc1C(C)C 224226686 GBEDIRKQBJYBEK-UHFFFAOYSA-N 423.940 5.981 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1C 224263806 FVRXMVSSHIEHAR-FCHUYYIVSA-N 404.583 5.432 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)Cc3ccccc3Cl)c2)cc1 225437892 RXYMYXCRMCSSTF-UHFFFAOYSA-N 405.925 6.050 0 40 HKAB CC(C)Oc1cccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 225535071 BKRLFDBSADERFU-UHFFFAOYSA-N 424.541 5.679 0 40 HKAB CCc1cccc(CC)c1NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225579681 LTAWMFHYUUJZNS-UHFFFAOYSA-N 402.941 5.455 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1cccc2ccccc12 225777103 DDXVFXSCURCSHZ-SANMLTNESA-N 401.550 5.625 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(F)cc2)c(C)c1 408698257 OGRKQCPWVFBVCF-UHFFFAOYSA-N 404.420 5.082 0 40 HKAB CCOC(=O)C1=C(C)N=C(SCC(C)C)N[C@@H]1c1cccc(Cl)c1Cl 408985800 AZVAMZHHFMVRPO-MRXNPFEDSA-N 401.359 5.220 0 40 HKAB CC(C)Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 409102815 UHIZIOISRDUQEF-UHFFFAOYSA-N 420.365 5.883 0 40 HKAB O=C(c1ccc(F)cc1)N1CCCCCCCCN(C(=O)C2CC2)c2ccccc2C1 643588909 LYLLRCBLUBJRSW-UHFFFAOYSA-N 422.544 5.565 0 40 HKAB O=C(c1cc2cccc(F)c2[nH]1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 2037846066 MLCJQYGLYXFSMQ-OAQYLSRUSA-N 403.457 5.253 0 40 HKAB COc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)cc1 911498 LDRUTNAMNDQHME-UHFFFAOYSA-N 424.909 5.643 0 40 HKAB Cc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)c1ccc(C(C)C)cc1 1361063 BHUAEZPCXGMNLF-UHFFFAOYSA-N 424.585 5.715 0 40 HKAB O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(Cl)c1 1382142 LRQSQUIWBCLXLT-UHFFFAOYSA-N 404.684 5.400 0 40 HKAB COc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1ccc(C)cc1 1441735 TZUYIZPCRRVEDN-UHFFFAOYSA-N 403.547 5.316 0 40 HKAB CCOc1ccc(-n2sc3c(c2=S)-c2cc(Cl)ccc2NC3(C)C)cc1 2070746 VPYISEKTXDJZOQ-UHFFFAOYSA-N 402.972 6.648 0 40 HKAB CC1=CC(C)(C)Nc2ccc(OC(=O)[C@@H](Sc3ccccc3)c3ccccc3)cc21 2282342 ONMUAPRDROTRGJ-DEOSSOPVSA-N 415.558 6.733 0 40 HKAB CCCSc1nc2sc3c(c2c2nnc(SC(C)C)n12)C[C@](C)(CC)OC3 2397308 PKZZXPLZCIHKFP-IBGZPJMESA-N 422.645 5.583 0 40 HKAB O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C/c1cccc(F)c1 2446450 POLBIKLOFUFPCK-VGOFMYFVSA-N 400.784 5.390 0 40 HKAB Clc1cc(Cl)c(OCCOc2c(Cl)cc(Cl)cc2Cl)c(Cl)c1 2559121 JOIKRAGPPYMUPK-UHFFFAOYSA-N 420.934 7.065 0 40 HKAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2F)cc1 2625452 DWXKGBDFIMMCHA-INIZCTEOSA-N 418.497 5.140 0 40 HKAB Cc1c(COc2ccc(Cl)cc2Cl)oc2ccc(Br)cc2c1=O 2657901 JKZHTJXAZOFZBM-UHFFFAOYSA-N 414.082 5.750 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3F)oc2N2CCCCCC2)cc1 2696706 CFDOYMBDNORCRV-UHFFFAOYSA-N 414.502 5.002 0 40 HKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CN1CCCCCC1 3247484 MRMZOMFTZLKWTB-UHFFFAOYSA-N 420.962 5.060 0 40 HKAB S=C(Nc1ccc(Oc2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1 3333431 YSBANWCMSDLGFP-UHFFFAOYSA-N 424.569 6.878 0 40 HKAB Cc1nc(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)c(Cl)cc1Cl 3345847 VKOOGXJWWHQXJB-UHFFFAOYSA-N 401.334 5.031 0 40 HKAB CCCCn1c([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 4033346 ONQOBBVBBSKROL-OAHLLOKOSA-N 401.432 5.376 0 40 HKAB Cc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2Cl)cc1 4145813 IBAKTWODDSYATE-UHFFFAOYSA-N 409.917 6.328 0 40 HKAB C[C@@H](NC(=O)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2)c1ccccc1 4661116 NHDBOUACFMYXBR-SLYLHFGVSA-N 422.572 6.474 0 40 HKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)o1 4715894 VCNYDSVIWOARLV-WIYYLYMNSA-N 400.812 5.762 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1 4838587 RITADWARIIAVRO-UHFFFAOYSA-N 414.505 6.543 0 40 HKAB CC(C)(C)c1ccc(S(=O)(=O)n2c(Cc3cccs3)nc3ccccc32)cc1 4861646 GJVBLMDVJYGSSU-UHFFFAOYSA-N 410.564 5.223 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 4897839 QKQNMXXECUEYFO-AHKZPQOWSA-N 412.533 6.451 0 40 HKAB COC(=O)CSc1nc(-c2ccccc2Cl)nc2sc3c(c12)CCCC3 4968351 WUEQSHPRJHDBRQ-UHFFFAOYSA-N 404.944 5.156 0 40 HKAB O=C(c1cccs1)N1CCCc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc21 5136308 WUJSTBJHIJYEAF-UHFFFAOYSA-N 420.578 5.496 0 40 HKAB Cc1noc(-c2ccc(OCc3ccc(F)cc3)cc2O)c1-c1ccc(Cl)cc1 5452173 BBYPXBMOVICUCO-UHFFFAOYSA-N 409.844 6.394 0 40 HKAB biogenic COc1ccc(-c2cncnc2-c2ccc(OCc3cc(C)ccc3C)cc2O)cc1 5484338 FCBRLJPHQNQBQM-UHFFFAOYSA-N 412.489 5.721 0 40 HKAB biogenic Cc1ccc(C2=N/C(=C/c3cccc(OCc4cccc5ccccc45)c3)C(=O)O2)cc1 5698701 WGDIAXOBBXOMOK-YZSQISJMSA-N 419.480 6.072 0 40 HKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1Cl 6243340 IQZCZCMBEYADPT-STRFDMGBSA-N 407.366 6.033 0 40 HKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4)cc3)CC2=O)cc1 6261117 YYLZARXZYZTVON-LJQANCHMSA-N 400.478 5.087 0 40 HKAB COc1cc(/C=C/c2cc(C(=O)O)c3ccccc3n2)ccc1OCc1ccccc1 6430627 KMBVCYIKKVCYDL-ACCUITESSA-N 411.457 5.691 0 40 HKAB COc1ccc(-c2ccc(C3=NNC(c4ccccc4)=Nc4ccccc43)cc2)cc1 7060293 NWEMLJWVPOLDHU-UHFFFAOYSA-N 403.485 5.796 0 40 HKAB Cc1ccc(-c2cnc3ccccc3n2)cc1NS(=O)(=O)c1ccc(Cl)cc1 7360480 UILNBGVGMUFQBI-UHFFFAOYSA-N 409.898 5.059 0 40 HKAB CCOc1cc(CNC2CCCCCC2)cc(Cl)c1OCc1ccc(F)cc1 8253989 RSYFFXTVCPIADO-UHFFFAOYSA-N 405.941 6.269 0 40 HKAB CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 8326299 AJDXNCGDVFMWAA-UHFFFAOYSA-N 416.477 5.421 0 40 HKAB COc1ccccc1N(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccc1C 9374484 DESSOJTTYWSSRV-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)[C@H](O)CC1(CCC(C(C)(C)C)CC1)O2 9418889 MLWZAIKAVMTMAQ-WJDCGXLLSA-N 410.554 5.771 0 40 HKAB Cc1ccc2cc(CN(C(=O)c3ccccc3C)c3ccc(C)c(C)c3)c(=O)[nH]c2c1 9461081 CRSOHHRERVPZHY-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 9614164 BKEBPTWIEQKMNS-OAHLLOKOSA-N 409.873 5.281 0 40 HKAB Cc1cc(-c2cc(C(=O)N3CCc4ccccc43)c3cnn(C(C)C)c3n2)c(C)o1 11367936 UQXVISWIEMNKOS-UHFFFAOYSA-N 400.482 5.092 0 40 HKAB CCN(CC(=O)Nc1cc(Cl)ccc1C)Cc1coc(-c2ccc(C)cc2C)n1 13008880 AELWHYZXSXIVRT-UHFFFAOYSA-N 411.933 5.381 0 40 HKAB C=Cc1ccc(CN2C(=O)N(c3cc(C)ccc3C)S(=O)(=O)c3ccccc32)cc1 15826802 ZAXFRUXCPUSTFX-UHFFFAOYSA-N 418.518 5.282 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCC(C)CC2)o1 15860496 ADESFOCSZURZTM-LJQANCHMSA-N 414.933 5.499 0 40 HKAB COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 17090486 MHQTUNMRRXEZLE-VQHVLOKHSA-N 416.260 5.692 0 40 HKAB C[C@@H]1N(C(=O)Nc2ccc(Cc3ccc(NC(=O)N4[C@H](C)C4(C)C)cc3)cc2)C1(C)C 17313722 QCENSHYDVVBAGD-AUJRUARFSA-N 420.557 5.307 0 40 HKAB COc1ccc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 20039885 LPNVRGBYCNAAGJ-UHFFFAOYSA-N 405.825 5.107 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 20610514 INGYVYDFXZLYMR-UHFFFAOYSA-N 414.509 5.583 0 40 HKAB Cc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)c(C)nn23)cc1C 27585024 XBLGKJLNAKNEGK-UHFFFAOYSA-N 404.517 6.732 0 40 HKAB CSc1ccccc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 30938094 XEWWBCBYQUPJDY-UHFFFAOYSA-N 419.388 5.022 0 40 HKAB CCOc1cc(C(=S)N2CCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 33702596 PKQVDKQFUHXNPI-UHFFFAOYSA-N 424.393 6.133 0 40 HKAB O=C(Nc1cc(NC(=O)c2cc(F)c(F)cc2Cl)ccc1F)c1ccsc1 48273291 YPLGVGYVBXTDQJ-UHFFFAOYSA-N 410.804 5.323 0 40 HKAB C[C@H](SC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccccc1F 48373965 CIXAUWKHQJFZAT-AWEZNQCLSA-N 401.453 5.954 0 40 HKAB O=C1C2=C(CCCC2)[C@@H](N[C@H]2CCCc3ccccc32)N1CCc1ccc(Cl)cc1 57256210 JDUZKWIQKHHAOK-DQEYMECFSA-N 420.984 5.589 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2cccc(Cl)c2)[nH]n1 57412508 FPWSSZGUAXSQNV-UHFFFAOYSA-N 403.869 5.561 0 40 HKAB CCOc1ccc(OCC)c(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)c1 64471982 QCEQKCBLRHOLJT-UHFFFAOYSA-N 423.488 5.151 0 40 HKAB O=C(c1ccc(F)cc1)N(C[C@@H]1CCCO1)c1nc2c(C(F)(F)F)cccc2s1 77099406 LMPNKEWDGHFWIK-AWEZNQCLSA-N 424.419 5.280 0 40 HKAB O=C(Nc1ccc(Sc2ccccc2Cl)cc1)c1ncoc1[C@@H]1CCCO1 79357575 BTLBVQVTRBIBOH-INIZCTEOSA-N 400.887 5.583 0 40 HKAB c1cc(N(c2ccncc2)c2ccc(N(c3ccncc3)c3ccncc3)cc2)ccn1 169401327 NQFLBGCCIGDHLA-UHFFFAOYSA-N 416.488 6.206 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1C(C)C 223356248 WYKJJJYRZHQQIZ-OAQYLSRUSA-N 422.613 5.994 0 40 HKAB CC(C)(C)c1ccc(-c2noc(CNC(=O)C3(c4ccccc4)CCCC3)n2)cc1 223821988 JZUJQLXEAGXHOH-UHFFFAOYSA-N 403.526 5.162 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccc(Cl)cc2)CCCCC1 225550307 QSYLCLLISQYRIR-UHFFFAOYSA-N 419.952 6.760 0 40 HKAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1ccccc1Oc1ccccc1 225725246 UEFCVUHZQNECAB-UHFFFAOYSA-N 404.853 5.086 0 40 HKAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccc(OCc2ccccc2)cc1 225794162 RPQLCMIFGOZVBE-UHFFFAOYSA-N 409.489 5.207 0 40 HKAB CC(C)CCC[C@@H](C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 253609600 LDPPQIQFKNQQLH-LZJVEFLHSA-N 416.646 6.453 0 40 HKAB CCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(CC)c1-c1ccccc1 408564568 ZPFJCEBBHMFDDY-LNVKXUELSA-N 400.931 5.202 0 40 HKAB O=C(Oc1ccc(-c2ccccc2)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 408668786 RBRGNPYIMPNIOS-JOCHJYFZSA-N 407.469 5.465 0 40 HKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(Cl)c2)cc1 408675569 IXNFTXCGPWFWFQ-UHFFFAOYSA-N 418.880 5.480 0 40 HKAB Cc1ccccc1NCc1ccc(OCc2ccccc2Cl)c(Br)c1 409110232 ABALVZUMNUURTD-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB O=C1Nc2ccccc2S/C1=C\c1cc(Cl)ccc1OCc1ccc(F)cc1 409117129 NFQUQAJMJFRSMU-MTJSOVHGSA-N 411.885 6.143 0 40 HKAB COc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1cccc(Cl)c1 409117581 OABYMOUFZDOUCQ-UHFFFAOYSA-N 416.348 6.810 0 40 HKAB COc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1ccccc1Cl 409118861 RFRONYIOQHHXIU-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 409180354 QZQRATDDIMXWKZ-FQEVSTJZSA-N 419.691 6.428 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 409216271 JMMWVSNXDUOPON-MDBUFAAASA-N 417.914 5.767 0 40 HKAB CCc1ccc(C2=NN(c3ccc(C(=O)O)cc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 409418390 ZBACOLHSJRNSAT-HSZRJFAPSA-N 404.897 5.956 0 40 HKAB O=C(Nc1ccccc1OC1CCCC1)c1cccc(OCc2ccc(F)cc2)c1 2037844519 VJDDVQWHENPNJC-UHFFFAOYSA-N 405.469 5.978 0 40 HKAB Cc1cc(Oc2ccc(Br)cc2)nc(SCC(=O)c2ccccc2)n1 649402 CAMURQTXRCEIPC-UHFFFAOYSA-N 415.312 5.315 0 40 HKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(F)c(Cl)c4)c(N)c3cc2C1 661822 CNOFJKLLBRAGFL-SNVBAGLBSA-N 403.910 5.438 0 40 HKAB CCOC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)C(F)(F)F 668583 ZWEVZJNQHVVJBN-UHFFFAOYSA-N 412.216 5.399 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)cc1 842370 BEULDZXUUQHKCI-UHFFFAOYSA-N 406.869 6.108 0 40 HKAB COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)cc1OC 877457 WYOLKTMXANFONF-UHFFFAOYSA-N 416.477 5.690 0 40 HKAB Cc1ccc(NC(=S)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCC2)cc1 1224149 QUZTVKGTDUOMAB-UHFFFAOYSA-N 405.567 5.287 0 40 HKAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccccc2Oc2ccccc2)[C@H]3CCC1 1424184 SBCOQKZYSZWQKU-VWLOTQADSA-N 422.528 6.275 0 40 HKAB CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)nc2c1 1759387 DXLAIPXRZIZENW-UHFFFAOYSA-N 411.288 6.616 0 40 HKAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2cccs2)N1c1ccc(C)c(C)c1 1761710 JDZWSSLLNPIJBE-JOCHJYFZSA-N 409.942 5.946 0 40 HKAB CCCCCC(=O)N1c2ccc(OCC)cc2-c2c(ssc2=S)C1(C)C 1829476 WSEBGJNYJBFLPD-UHFFFAOYSA-N 407.626 6.767 0 40 HKAB CN(C)c1ccc(C(Cc2ccc3ccccc3n2)Cc2ccc3ccccc3n2)cc1 1873699 GLMXUQDALJFHPN-UHFFFAOYSA-N 417.556 6.418 0 40 HKAB Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4cccc(C)c4)C(=O)N32)cc1 2103164 GSIRJUOXIVJFSV-UKILVPOCSA-N 421.500 5.268 0 40 HKAB biogenic Cc1ccc(Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 2186963 NVJDFBCXRRVPAP-UHFFFAOYSA-N 413.296 5.731 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)cc1 2446207 GDKRVEBMFVYNRV-UHFFFAOYSA-N 424.913 5.220 0 40 HKAB COc1cc(SC)ccc1C(=O)Nc1nc2c(s1)CSc1ccccc1-2 2638377 ZTHZIOLMNAKERW-UHFFFAOYSA-N 400.550 5.399 0 40 HKAB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3ccc(C)c(Cl)c3)n2)cc1C 2733570 JQYTVQULJCLOIH-UHFFFAOYSA-N 400.953 7.402 0 40 HKAB CCN1C=C(c2ccc3ccccc3n2)[C@H](c2c[nH]c3ccccc23)c2ccccc21 3073681 KLKAYHZLTWSZEV-NDEPHWFRSA-N 401.513 6.729 0 40 HKAB CCC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3ccccc3)c2C1 3319753 QCDLJBBSEUJAAW-LJQANCHMSA-N 415.533 5.816 0 40 HKAB COc1cccc(C2=N/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C(=O)O2)c1 3320991 XJIVVSXLHLRASG-LDADJPATSA-N 424.250 5.062 0 40 HKAB COc1ccccc1C(=O)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1 4069876 ZZZFCPSHGJNTKE-UHFFFAOYSA-N 402.475 5.863 0 40 HKAB COc1ccccc1[C@]1(CCN(C(C)=O)[C@@H](C)c2ccccc2)CCO[C@H](C(C)C)C1 4073194 BLORJSGUUHAICH-NJTBCWBZSA-N 423.597 5.768 0 40 HKAB biogenic COc1ccc(C(=O)Oc2ccc3oc(=O)c(-c4ccc(OC)cc4)c(C)c3c2)cc1 4340739 JTEWMPMAUQOTAL-UHFFFAOYSA-N 416.429 5.005 0 40 HKAB biogenic CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(Cl)c2Cl)N3)C1 4554569 UPLWCKTUEVEBBQ-ADLMAVQZSA-N 423.409 7.025 0 40 HKAB O=C(Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCC2)c1cccs1 4599148 FKBAWGLBDLXKFA-UHFFFAOYSA-N 416.955 5.846 0 40 HKAB Cc1ccc(-c2csc(NC(=O)c3c(C)nn(-c4ccccc4)c3Cl)n2)cc1 4848490 BMQKHZVQKMADEW-UHFFFAOYSA-N 408.914 5.518 0 40 HKAB aggregator O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@H]1C(=O)c1ccccc1 4983020 WCTIPYXJFUKGBD-KMKVIZFGSA-N 416.520 6.566 0 40 HKAB Cc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2c(Cl)cccc2Cl)c1 5031570 CWPKTEXSAXZQKM-OUKQBFOZSA-N 407.300 6.171 0 40 HKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)o1 5093030 BTNJQQQLFMHFSK-HSZRJFAPSA-N 413.521 5.124 0 40 HKAB CCc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 5150452 OQNMLYQODCWVAC-NRFANRHFSA-N 416.864 5.154 0 40 HKAB CCCc1nc2sc3c(N4CCCC[C@H]4C)nc(SC)nc3c2c2c1CCC2 5156239 QOPUXMXLJZFGLT-CYBMUJFWSA-N 412.628 5.781 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)C[C@@H](C)CC4)c(C)c1 5214461 QCNCIVKRVKOLDC-INIZCTEOSA-N 419.546 6.128 0 40 HKAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 5219717 JZHOSDRVVWWANQ-UHFFFAOYSA-N 411.527 5.164 0 40 HKAB CC(C)(C)c1ccc(Oc2ncccc2C(=O)NCCc2c[nH]c3ccccc23)cc1 5481584 LQUPTHMJKRBXDE-UHFFFAOYSA-N 413.521 5.625 0 40 HKAB CCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)Cc2ccccc2)c2ccccc21 5486001 SLNSERRUCFDIAS-CJFMBICVSA-N 412.533 5.539 0 40 HKAB CCCN1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccccc3Cl)=NN12 5499854 JWEDLZSOKGASAB-QFIPXVFZSA-N 409.961 5.394 0 40 HKAB Cc1ccc(Cl)c(Oc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)c1 6079090 BFXFYEKRTDMAGO-UHFFFAOYSA-N 407.926 6.386 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1cc2ccccc2o1 6356580 CJDHVJDXBIHOGN-UHFFFAOYSA-N 406.511 5.059 0 40 HKAB CN(C)[C@@H](CNC(=O)c1oc2ccccc2c1COc1ccccc1)c1cccs1 6587563 CNOJXEKRQZAHLG-FQEVSTJZSA-N 420.534 5.106 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2cccc(Cl)c2)cc1OCC 6891062 NJQKCVNODSEYRG-UHFFFAOYSA-N 412.711 5.542 0 40 HKAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)C(c1ccccc1)c1ccccc1 6906100 XWZXSHPRTGJFRZ-UHFFFAOYSA-N 415.533 5.189 0 40 HKAB COc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 6966689 DPQGIZYOTDAHQZ-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB Cc1ccc(NC(=S)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)cc1F 7379291 ZXUVDEFRWHTXJL-NRFANRHFSA-N 404.938 5.455 0 40 HKAB CCc1ccc(C(=O)C[C@H](Nc2ccc(Cl)cc2)c2ccc(C(C)(C)C)cc2)cc1 8783311 NWMYXPKKGDXURB-VWLOTQADSA-N 419.996 7.626 0 40 HKAB Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccccc4)s3)c2)c1 9062172 DXKSVMDNPQJWDH-UHFFFAOYSA-N 414.490 5.018 0 40 HKAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc1O2 9134954 YOAVCMQQMMQLKX-UHFFFAOYSA-N 412.367 5.624 0 40 HKAB CCCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2cccc(OC)c2)[nH]c2ccccc12 9355579 RZDFJHIQCPXXJO-AREMUKBSSA-N 410.517 6.189 0 40 HKAB c1csc(-c2nc3ccc(Cc4ccc5nc(-c6cccs6)oc5c4)cc3o2)c1 9425732 QQPFCRYQBYELBD-UHFFFAOYSA-N 414.511 7.017 0 40 HKAB O=C(/C=C/c1c(Cl)nc2ccccn12)N1CCC[C@H](c2nc3ccccc3s2)C1 9777712 RCBVUYMAVONWLI-NKSUMMKUSA-N 422.941 5.017 0 40 HKAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCCCC1)c1cc(-c2ccccc2)on1 11905406 DZZIDJBXEYSMCT-QFIPXVFZSA-N 423.944 5.342 0 40 HKAB COc1cccc(-c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)c3ccccc3n2)c1 12062679 XCYQQSKAHKJUGU-UHFFFAOYSA-N 411.461 5.121 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12368793 LINVVMHRTUSXHL-NRWUNFCISA-N 400.647 6.712 0 40 HKAB COc1c(C)cccc1C(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1C 12651111 RLOTWLMKMFSRGF-UHFFFAOYSA-N 406.869 6.026 0 40 HKAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N[C@@H]1CCOc2ccccc21 12778363 WRMVHNOJXJVMJE-QGZVFWFLSA-N 418.440 5.011 0 40 HKAB C1=C(c2ccccc2)N2N=C(c3ccccc3)O[C@]23CCCC[C@H]3[C@H]1c1ccccc1 13509585 ZJXHXEHIKDXOSE-QQNWGBJXSA-N 406.529 6.405 0 40 HKAB O=c1c2ccccc2nc(/C=C/c2ccccc2F)n1-c1ccc(Br)cc1 13617418 GKQJFGSLGHIWHO-NTEUORMPSA-N 421.269 5.458 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3C)c3cccc(C)c3C)cc2c1 13758158 NDGDLBUEUWSFDM-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB CCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1 13811285 XDPUBZCURJULKH-UHFFFAOYSA-N 419.868 5.708 0 40 HKAB O=C(COc1ccc(Cl)cc1Br)Nc1ccc(Cl)c(Cl)c1 13979547 JHDXPNCKTIPFFR-UHFFFAOYSA-N 409.494 5.427 0 40 HKAB c1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cc1 15277468 RSBFFWWWSIILAF-UHFFFAOYSA-N 418.565 7.499 0 40 HKAB CCC(=O)N1N=C(c2ccc(C)cc2)Sc2c1nc(-c1ccccc1)n2C(=O)CC 16777372 DBPFVEBULBFRKS-UHFFFAOYSA-N 418.522 5.119 0 40 HKAB COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 17093279 LFAWJLNEFKVHTC-WEVVVXLNSA-N 422.695 6.567 0 40 HKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1nccs1 17093796 SDFQGUMQTMZOOX-DUXPYHPUSA-N 424.334 5.236 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 17093953 WEABHANXSIURNF-UHFFFAOYSA-N 424.500 6.315 0 40 HKAB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(C(C)C)cc4)cc3n2)cc1 20610226 JZQARVDILMUKAK-UHFFFAOYSA-N 400.482 5.195 0 40 HKAB O=C(Nc1ccccc1Br)c1cc(-c2cccnc2)nc2ccccc12 21935076 XKURUIOELYQAKV-UHFFFAOYSA-N 404.267 5.312 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1Nc1ccc(F)c(Cl)c1 22053618 XVRZGKSKLBELGR-UHFFFAOYSA-N 409.770 5.889 0 40 HKAB Cc1c(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)oc2c(F)cccc12 22065959 NLFLUPVHAALATB-UHFFFAOYSA-N 410.426 5.027 0 40 HKAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 26861320 LGIWSZVHODMRRY-GOSISDBHSA-N 414.383 5.146 0 40 HKAB CN(C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)c1ccccc1 33766157 JSFCYFUDHHEPCO-UHFFFAOYSA-N 410.433 5.818 0 40 HKAB C(=C1/c2ccccc2[C@@H]2[C@@H]1O[C@H]1/C(=C\c3ccccc3)c3ccccc3[C@@H]12)\c1ccccc1 35614434 QTCLDESTKURNLW-ADRPOMLMSA-N 424.543 7.430 0 40 HKAB CC(C)CCCCCC[C@]1(C(=O)O)CCCC[C@]1(CCCCCCC(C)C)C(=O)O 38799462 OLAQBFHDYFMSAJ-CLJLJLNGSA-N 424.666 7.696 0 40 HKAB O=C(NCCSCc1ccccc1Cl)c1ccc(CN2CCCCCC2)cc1 38837477 OSAPZLZQJKXVRM-UHFFFAOYSA-N 417.018 5.379 0 40 HKAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccccc1SC1CCCC1 44328400 CVGCNSWJYKYQLH-UHFFFAOYSA-N 411.571 5.441 0 40 HKAB COc1ccc(NC(=O)N2CCC[C@@H]2c2ccsc2)cc1NC(=O)OC(C)(C)C 46008379 ASAVLKQFAJULCZ-QGZVFWFLSA-N 417.531 5.473 0 40 HKAB Cc1csc(COc2ccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)cc2)n1 56907706 YPPZFQKFMOFGKB-UHFFFAOYSA-N 410.392 5.441 0 40 HKAB Fc1ccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc23)c(Cl)c1 67262201 PGYZTGOXEHGIAK-UHFFFAOYSA-N 403.848 5.349 0 40 HKAB CN(c1ccccc1)c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72214228 KSEMJBPGAJIGRV-QHCPKHFHSA-N 401.510 5.713 0 40 HKAB OC1=C2C(=Nc3ccccc3N[C@@H]2c2c(F)cccc2Cl)C[C@H](c2ccccc2)C1 100425748 BZUIDZMGGAPFRG-IVCQMTBJSA-N 418.899 7.108 0 40 HKAB CC1(C)CC2=NC(Nc3nc4ccccc4s3)=N[C@H](c3cccnc3)C2=C(O)C1 102668421 ZQNSDFLAANWSIZ-LJQANCHMSA-N 403.511 5.287 0 40 HKAB c1ccc([C@@]23O[C@](c4ccccc4)(c4ccccc42)[C@H]2[C@@H]4C[C@H](c5ccccc54)[C@@H]23)cc1 104105432 QYSQHRVUKYBKNG-AYDRFJRBSA-N 412.532 6.735 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4N5CCCN=C5CC[C@]4(C)[C@@H]3CC[C@@]21C 104153734 GADHUERTDPPUEB-IAGVLEOYSA-N 424.717 7.699 0 40 HKAB C[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc(C(C)(C)C)cc1 222722918 GPALBFPSPQPDMW-CQSZACIVSA-N 410.410 6.402 0 40 HKAB Cc1cc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc(C)c1Br 222955240 YJRQARWADWPTLI-MRXNPFEDSA-N 416.359 5.201 0 40 HKAB CC[C@@H](NC(=O)c1ccccc1I)c1ccc2c(c1)CCCC2 223024756 KLEYHKUHRPTGQC-LJQANCHMSA-N 419.306 5.051 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 223031641 PVFYGGCDNVHJGF-WOJBJXKFSA-N 401.934 5.533 0 40 HKAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccc(C)c(C)c1 224291794 GBCGBPNOUNZQHL-UHFFFAOYSA-N 421.493 5.161 0 40 HKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 224411231 JFWYAPYUQBPMIV-PKTZIBPZSA-N 415.493 5.658 0 40 HKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)ccc1F 224895460 NXCNZGFHFXPDKT-LEWJYISDSA-N 408.546 5.263 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)N[C@H](C)c3ccc(F)cc3)o2)c1 224905648 XWKVCNHSCNSJGZ-MRXNPFEDSA-N 416.452 5.647 0 40 HKAB S=C(Nc1ccc(CSc2ccccc2)cc1)N[C@H]1CCCc2ccccc21 225459907 LQHMZOJLATXIGS-QHCPKHFHSA-N 404.604 6.343 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)N[C@H](C)CC)cc1 225519708 VGWPSKWBWMQMOG-PXDATVDWSA-N 422.613 5.212 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1O[C@H](C)CC 225675667 GYTXIJSXROIBKD-GOSISDBHSA-N 409.526 5.491 0 40 HKAB CCN(C(=O)C(F)(F)F)c1cc(C)c2oc(-c3ccc(Cl)cc3Cl)nc2c1 226282920 KKTOQULVRWIQPR-UHFFFAOYSA-N 417.214 6.025 0 40 HKAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2)[C@H]1c1cccs1 257173504 PFWYGNHLVNLMTL-FCHUYYIVSA-N 404.535 5.324 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cc(C)ccc3C)n2)cc1 408699681 VPRALGTZPRLSBC-UHFFFAOYSA-N 410.521 5.674 0 40 HKAB COc1cc(C)c(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)cc1C(C)C 408797146 GJFHOZDORMJFQQ-UHFFFAOYSA-N 415.966 5.852 0 40 HKAB CN(C(=O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)c1ccccc1 408977317 IFXDTUBUCUGYFX-UHFFFAOYSA-N 417.472 5.030 0 40 HKAB CC(C)N1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)C1=O 409055092 JRLRLPXKRKFYQA-ZDLGFXPLSA-N 405.878 5.503 0 40 HKAB COc1ccc2ccccc2c1/C=C1\SC(=O)N(CCCc2ccccc2)C1=O 409125576 BEMJOINVVBKGAY-JWGURIENSA-N 403.503 5.518 0 40 HKAB Cc1cccc(OCc2ccc(C(=O)OCc3ccc(Br)cc3)cc2)c1 409175890 DEHCWWVZUPXUHF-UHFFFAOYSA-N 411.295 5.694 0 40 HKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Br)o1 409176995 AFGHJIYKUSSBBD-GOSISDBHSA-N 419.658 5.477 0 40 HKAB O[C@H](Cn1c(-c2ccccc2)nc2ccccc21)Cn1c2ccccc2c2ccccc21 938386 DHEXFJCLLDHASP-NRFANRHFSA-N 417.512 5.872 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC(=O)c3ccc(OCC)cc3)cc2C)cc1 1017085 NIGNIEQZHBHEFE-UHFFFAOYSA-N 419.477 5.264 0 40 HKAB COc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(Cl)cc4)=NN3C(C)=O)cc2c1 1302190 CRNYXWWQTUWUOJ-FQEVSTJZSA-N 414.292 5.248 0 40 HKAB CCN(C(=O)CCc1ccccc1OC)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 1356412 UUJXPNGZZSOHNJ-UHFFFAOYSA-N 423.582 5.497 0 40 HKAB Cc1cc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)C3CCCCC3)cc2c1 1359652 KOKHEEIRYRAWKU-UHFFFAOYSA-N 416.565 5.297 0 40 HKAB CC(C)c1nc2sc3c(c2c2nnc(SCc4cccnc4)n12)CC[C@@H](C)C3 1376557 UKNJHPXVBQLQQA-CYBMUJFWSA-N 409.584 5.275 0 40 HKAB CCCOc1ccc(C(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1OC 2633455 DIJWEFDWHCWGJY-UHFFFAOYSA-N 416.473 5.095 0 40 HKAB Cc1ccc(NC(=O)[C@@H](Sc2ncnc3ccccc23)c2ccccc2)cc1Cl 3295672 XXVVSZUSSLXHFW-NRFANRHFSA-N 419.937 6.064 0 40 HKAB Cc1cc(C(=O)COC(=O)/C=C/c2ccccc2Cl)c(C)n1Cc1cccs1 3295936 JEKQMERTSZEKQE-MDZDMXLPSA-N 413.926 5.307 0 40 HKAB CCOc1ccc(-c2nc(NC(=O)Cc3coc4cc(OC)ccc34)sc2C)cc1 3451649 NQEVXGPBDOBSIU-UHFFFAOYSA-N 422.506 5.453 0 40 HKAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1C 3771894 WXJYCPSGFXYOEM-UHFFFAOYSA-N 417.456 5.510 0 40 HKAB Cc1ccccc1-n1nnnc1C1(Nc2ccccc2Cl)CCC(C(C)(C)C)CC1 4065790 YXMNHBNKYITUFQ-UHFFFAOYSA-N 423.992 6.168 0 40 HKAB C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)OCCC1=CC[C@H]2C[C@@H]1C2(C)C 4416310 DSMACWUWXMGHRZ-XBFCOCLRSA-N 417.760 6.340 0 40 HKAB Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1ccc(C(F)(F)F)cc1 4678484 RMUMZFQAQUYSSB-UHFFFAOYSA-N 407.439 6.385 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1OC 4690928 RDUIQHMUAZSZOW-FAPYRAKZSA-N 415.486 5.248 0 40 HKAB COc1ccc(Cl)c(N2C[C@@H](c3nc4ccccc4n3CCC(C)C)CC2=O)c1 5235941 KXXKCMZKKSHORP-INIZCTEOSA-N 411.933 5.265 0 40 HKAB CCc1cc(Oc2nc(-c3cccc(OC)c3O)nc3ccccc23)ccc1Cl 5576938 VSCPCAFLKVCHNY-UHFFFAOYSA-N 406.869 6.019 0 40 HKAB Cc1ccc(NC(=O)c2c(NC(=S)Nc3ccccc3)sc3c2CCCC3)cc1 5587933 KQVTUGNIKUEBCJ-UHFFFAOYSA-N 421.591 5.997 0 40 HKAB FC(F)(F)c1cnc(Cc2ccc(OCc3ccc(Cl)cc3)cc2)c(Cl)c1 5674158 WVDRYKCNKBZAQS-UHFFFAOYSA-N 412.238 6.577 0 40 HKAB Cc1sc(NC(=O)CCC(=O)O)c(C(=O)OC(C)C)c1-c1ccc(C(C)C)cc1 6184220 QMSMISYNVPRGBD-UHFFFAOYSA-N 417.527 5.215 0 40 HKAB CCOc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)ccc1O 6464521 XGYONAAGJOZHRO-XYOPDGACSA-N 407.554 5.172 0 40 HKAB COc1ccc(C)cc1NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O 6623906 ILMBNGUMVDTXGP-UHFFFAOYSA-N 405.450 5.044 0 40 HKAB biogenic CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Cc1ccc(-c2ccccc2)cc1 6736952 BFISSZNUKKPOKC-UHFFFAOYSA-N 411.505 5.383 0 40 HKAB Clc1cccc(Cl)c1OCCSc1nc(C2CC2)n(-c2ccccc2)n1 6787559 UPKKTVSBXZLDAI-UHFFFAOYSA-N 406.338 5.623 0 40 HKAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCCc2ccccc21 7778860 CCTOWYXEEBWYKP-UHFFFAOYSA-N 409.489 5.141 0 40 HKAB CCOc1ccc([C@@H]2CCCN2Cn2nc(-c3ccccc3)n(CC)c2=S)cc1 8189843 OSYGCCPEKLJUJR-NRFANRHFSA-N 408.571 5.294 0 40 HKAB COc1cc(CNC23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccccc1 8470326 LFNMRMSLZMOKOG-UHFFFAOYSA-N 411.973 5.986 0 40 HKAB C[C@H](Sc1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)Nc1ccccc1F 8749336 WEXOECMXKDUALP-NSHDSACASA-N 420.307 5.098 0 40 HKAB O=C(NCCCn1cnc2ccccc21)c1ccccc1SCc1ccccc1F 9379508 MFSAGCURJROAJY-UHFFFAOYSA-N 419.525 5.288 0 40 HKAB Nc1c(C(=O)Nc2ccccc2C(F)(F)F)sc2nc(-c3cccs3)ccc12 9380762 NXSSRLUMUMQSBE-UHFFFAOYSA-N 419.453 5.878 0 40 HKAB S=C(NC1CCCC1)N(Cc1ccccc1)CC1CCN(Cc2ccccc2)CC1 9482467 VTJQLOSUESCSIH-UHFFFAOYSA-N 421.654 5.218 0 40 HKAB COc1ccc2cc([C@H](C)C(=O)NCc3ccc(-c4csc(C)n4)s3)ccc2c1 10105354 OJSUGQYSJSOPCG-AWEZNQCLSA-N 422.575 5.762 0 40 HKAB CC[C@H](C(=O)OCc1csc(N(C(C)=O)c2cccc(C)c2)n1)c1ccccc1 11411744 OYHPXOGMNRTVDS-NRFANRHFSA-N 408.523 5.373 0 40 HKAB CCN(CC)CCN(C(=O)c1ccc2ncsc2c1)c1nc2ccc(C)cc2s1 12140838 FZNXUYRPMOFBSH-UHFFFAOYSA-N 424.595 5.203 0 40 HKAB COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(F)c(F)c2)c1 12196698 KFRXGTAEPNOWOS-ZJSXRUAMSA-N 422.431 5.224 0 40 HKAB COc1cccc(NCc2nnc(SCc3cscn3)n2C2CCCCC2)c1 12543155 CFRDFWFPIAPWDD-UHFFFAOYSA-N 415.588 5.153 0 40 HKAB C[C@H](SCc1csc(-c2ccc(F)cc2)n1)C(=O)Nc1c(F)cccc1F 12928169 YVVGDVRTFSAWTB-NSHDSACASA-N 408.470 5.488 0 40 HKAB O=C(Cc1ncc(C(F)(F)F)cc1Cl)Nc1cc(C(F)(F)F)ccc1Cl 12956248 OYBIHBWJPFYUEB-UHFFFAOYSA-N 417.136 5.607 0 40 HKAB COc1ccc(F)cc1CSc1nnc(COc2ccccc2Cl)n1C1CC1 13114721 AWMSDUGOJJBPSX-UHFFFAOYSA-N 419.909 5.285 0 40 HKAB O=C(C[C@H](Nc1ccccc1)c1ccccc1)C[C@@H](Nc1ccccc1)c1ccccc1 13549412 MBOMYSAVROKLDC-ISILISOKSA-N 420.556 7.043 0 40 HKAB O=C(NC1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1)c1ccccc1 14200264 LIIWWLLERFRWKA-UHFFFAOYSA-N 424.953 5.103 0 40 HKAB O=C(Nc1ccccc1)N[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 15778746 UCOOWOMBWXQQQX-LJQANCHMSA-N 404.857 5.301 0 40 HKAB COc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nc3ccccc32)cc1 15981773 HIQWSVFQOXEHLR-UHFFFAOYSA-N 403.507 5.073 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc4c(C)ccc(C)c4s3)o2)cc1Cl 17093400 WQZBBXRFZMHMIP-PKNBQFBNSA-N 422.937 6.787 0 40 HKAB S=C1NC2=C(CSC/C2=C\c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1 17254567 CQMQYXXDMVGBTN-MXHVWWQHSA-N 419.402 5.597 0 40 HKAB COc1ccc([C@@H](CNC(=O)Cc2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 18074520 QJWWUYUZXYYMGM-HSZRJFAPSA-N 423.516 5.149 0 40 HKAB CCN(C(=O)c1ccccn1)[C@H]1CCO[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C1 19711973 AIVLCOXDOVNEPV-LADGPHEKSA-N 422.475 5.409 0 40 HKAB COc1cc([C@@H](Nc2ccccn2)c2c(C)[nH]c3ccccc23)cc(OC)c1OC 19864047 FPSFTKFXPFFQPT-HSZRJFAPSA-N 403.482 5.099 0 40 HKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(I)cc1C 20041628 ZIDLCMFLUMLMEL-SFHVURJKSA-N 423.294 5.013 0 40 HKAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 20436225 MKIHVXIJMSPOFK-UHFFFAOYSA-N 410.640 5.857 0 40 HKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 20459645 VHKSKCQZIGFYPR-OAQYLSRUSA-N 409.913 6.545 0 40 HKAB O=C(Nc1cccc(Cl)c1)[C@@H]1CC(O)=Nc2c(-c3ccc(Cl)cc3)cnn21 20726031 YHXCBCLCPOEULK-INIZCTEOSA-N 401.253 5.028 0 40 HKAB Cn1c(-c2ccccc2)nn(CN2CCC[C@@H]2c2nc3ccccc3s2)c1=S 24083854 FQBFKRJFPXELTA-QGZVFWFLSA-N 407.568 5.022 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1C 27747175 PILOYRKLDVNNHC-CQSZACIVSA-N 415.287 5.127 0 40 HKAB Cc1cc(-c2csc(NC(=O)C3(c4ccccc4F)CCOCC3)n2)c(C)s1 35316931 IVSQPQXWSXDXPU-UHFFFAOYSA-N 416.543 5.314 0 40 HKAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(C(F)(F)F)c2)c1OC 36366669 NPVFEUAQIZTIEA-HNNXBMFYSA-N 417.387 5.032 0 40 HKAB O=C(Nc1ccc2nc(-c3ccccc3F)oc2c1)c1ccc(Br)cc1 41085998 IQZNGENGEOAHFX-UHFFFAOYSA-N 411.230 5.649 0 40 HKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc(Cl)c4)ccc32)c1 46078689 DSWMRTOODYSZQE-UHFFFAOYSA-N 404.897 5.494 0 40 HKAB COc1cccc2c(Nc3cccc(C(C)C)c3)cc(C(=O)N3CCSCC3)nc12 49003066 KCYLSECAQRADNL-UHFFFAOYSA-N 421.566 5.299 0 40 HKAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@H](c3ccccc3Cl)N1CC2 57731784 AUPYCRWVGHSIEF-RPWUZVMVSA-N 406.913 5.429 0 40 HKAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc(Br)cc1 58357035 JKZBEMSUDNWXRP-NRFANRHFSA-N 411.343 5.617 0 40 HKAB Fc1ccc(-c2nnn3c2nc(NCCc2ccc(Cl)cc2)c2ccccc23)cc1 67261417 ALLBJGKXRFWEOV-UHFFFAOYSA-N 417.875 5.392 0 40 HKAB CSc1nnc(-c2nc(-c3ccccc3)oc2N2CCCCC2)n1-c1ccccc1 71195131 IGRGRYXUQSHMPY-UHFFFAOYSA-N 417.538 5.302 0 40 HKAB Clc1ccccc1C1(c2nnc(Cc3ccc4ccccc4c3)o2)CCOCC1 84605879 IHBOLWLCYAWDOQ-UHFFFAOYSA-N 404.897 5.564 0 40 HKAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102200434 CYVRRSITRWLKNS-WADIDORASA-N 424.976 5.188 0 40 HKAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N(Cc1ccccc1)c1nc2ccc(Cl)cc2s1 102337468 DLQNLWGBLWFYTE-OKZBNKHCSA-N 410.970 6.309 0 40 HKAB CCOC(=O)c1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1 216832285 GQYOWCDKDAPYAR-UHFFFAOYSA-N 413.695 5.257 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 218960301 FCKVYXIKTCDJRJ-UHFFFAOYSA-N 403.566 6.295 0 40 HKAB Cc1ccc(-c2nnc(NC(=O)c3ccc(CN4CCCCCC4)cc3)s2)cc1 223074421 ROIVIZBIOKXMEN-UHFFFAOYSA-N 406.555 5.142 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccc1SCc1ccccc1 224957989 FRWMPTFZEBSJOE-UHFFFAOYSA-N 402.563 6.222 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C)n1 225870733 NRUNEGFTEDYHAT-UHFFFAOYSA-N 407.341 5.936 0 40 HKAB Cc1cc(C)nc(Nc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)n1 225913754 IEPCCCWKOHWSRS-UHFFFAOYSA-N 422.532 5.680 0 40 HKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)cc1Cl 225934424 SLJUFTAWOBQFIE-UHFFFAOYSA-N 412.316 5.677 0 40 HKAB COc1cccc(C(=S)N2CCCCC2)c1OCc1ccc(Cl)c(Cl)c1 408575248 NJXWLAUUOFVTRQ-UHFFFAOYSA-N 410.366 5.742 0 40 HKAB CCOc1cc(/C=C/C(=O)Nc2ccc(Oc3ccccc3C)cc2)ccc1OC 408605175 XEYPTASRHWOETO-MHWRWJLKSA-N 403.478 5.847 0 40 HKAB Fc1ccccc1COc1ccc(CNc2ccc(Cl)cc2Cl)cc1Cl 408608932 NBORDBOGUAJCRJ-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)cc1 408644837 RXWJIWNYYSXBOD-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB Cc1cccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)c1 409330863 MISOSZNVVCQXPX-MHZLTWQESA-N 404.513 6.361 0 40 HKAB COc1ccc(Br)c(C(=O)N[C@@H](C)Cc2csc3ccccc23)c1 575621736 SEDJRIBPDOYAOF-LBPRGKRZSA-N 404.329 5.033 0 40 HKAB Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc3c(c(-c4ccco4)c12)CCCC3 715924 WNBLHMDZOXRIBL-UHFFFAOYSA-N 423.925 5.923 0 40 HKAB Cc1ccc(N2C(=O)C(Cl)=C(Nc3cccc(C(F)(F)F)c3)C2=O)cc1Cl 719413 VUPNGVPXZCNUAA-UHFFFAOYSA-N 415.198 5.103 0 40 HKAB CCOc1ccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3cccnc3)s2)cc1 939385 MYTRDUHSZZERGM-UHFFFAOYSA-N 416.506 5.600 0 40 HKAB O=C(OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccc(Cl)cc1Cl 1388007 QDXACBYSFDOMHJ-UHFFFAOYSA-N 417.079 5.238 0 40 HKAB Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(NC(=O)c4ccccc4Cl)c23)cc1 1404637 KJEKAEJZMAQUBE-UHFFFAOYSA-N 419.916 5.462 0 40 HKAB CCc1ccc(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 1783569 SVOSCRKHJMJQKG-UHFFFAOYSA-N 418.924 5.748 0 40 HKAB Cc1ccc(-c2c3c(nc4sc(C(=O)Nc5ccccc5C)c(N)c24)CCC3)cc1 1814297 XKBQWROWGXZOPD-UHFFFAOYSA-N 413.546 5.903 0 40 HKAB COc1ccc([C@@H](Nc2ccccc2)P(=O)(OC(C)C)OC(C)C)c(OC)c1 1835158 YOKPRSNITFQXRL-NRFANRHFSA-N 407.447 5.858 0 40 HKAB FC(F)(F)c1cccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)c1 2083463 GHSSGBPSIWGBMY-UHFFFAOYSA-N 405.832 6.774 0 40 HKAB Cc1ccc(C(=O)Nc2c(-c3ccccc3)c(=O)c(C)nn2-c2ccc(C)c(C)c2)cc1 2212365 LSHXUYABFVEGIB-UHFFFAOYSA-N 423.516 5.385 0 40 HKAB CCc1ccc([C@@]2(C)CC(C)(C)N(C(=O)Cc3ccc(F)cc3)c3ccccc32)cc1 2305964 DLNCISIYOUPHIQ-MUUNZHRXSA-N 415.552 6.452 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@](C)(CC)OC3 2314788 KQVJWXNWCBOOFC-NRFANRHFSA-N 400.569 5.191 0 40 HKAB CCCCc1ccc(-n2c(N)c(C(=O)O[C@H](C)CC)c3nc4ccccc4nc32)cc1 2407072 GQNCVQSULIMYJW-MRXNPFEDSA-N 416.525 5.454 0 40 HKAB CCCOc1ccccc1-c1nc2c3c(ncn2n1)-c1ccccc1CC31CCCC1 2422271 QPUOZTRSYAVIPA-UHFFFAOYSA-N 410.521 5.615 0 40 HKAB Cc1ccccc1-n1c(SCCCC(=O)c2ccccc2)nnc1-c1ccncc1 2625166 FRCUBYXGFZUVTH-UHFFFAOYSA-N 414.534 5.393 0 40 HKAB Cc1ccc(Nc2nnc(SCCOc3ccc(Br)cc3)s2)cc1 3351367 DRFOBWFRMLYXLU-UHFFFAOYSA-N 422.373 5.524 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](C)NC2CCCCCCC2)sc2c1CC[C@@H](C)C2 3377682 WQIMAKRVQZQHEN-HZPDHXFCSA-N 420.619 5.079 0 40 HKAB CCN(C(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1cccc2ccccc12 3381976 LBVYWZSMQVALLK-MRXNPFEDSA-N 407.535 5.236 0 40 HKAB O=C(Nc1nc(C(c2ccccc2)c2ccccc2)cs1)c1ccccc1Cl 4069886 PUWSEHBNXLMNBQ-UHFFFAOYSA-N 404.922 6.229 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccn2)N2CCC(C)CC2)c1C 4193086 HSTZBRUOWGXBBL-HSZRJFAPSA-N 419.594 5.834 0 40 HKAB Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2Nc2ccc(C)c(C)c2)cc1 4193547 UQYZPTLZXYLTSO-UHFFFAOYSA-N 416.546 6.045 0 40 HKAB Cc1cc2nc(Nc3ncc4c(n3)C[C@@H](c3cccs3)CC4=O)nc(C)c2cc1C 4488277 BZHUVLZAXBOBFY-OAHLLOKOSA-N 415.522 5.063 0 40 HKAB COc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3ccc(F)cc3)C[C@H]21 4715852 VFMASGKEFJSPMY-NFBKMPQASA-N 410.395 5.355 0 40 HKAB CCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCc1ccccc1-3 4811766 RJQTZNMBGHTHFE-UHFFFAOYSA-N 424.635 6.621 0 40 HKAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2cc1CC1CCCC1 4857796 ZHRVBEXGQVALBR-GOSISDBHSA-N 416.590 6.037 0 40 HKAB CCN(CC)P(=Nc1ccc(C)cc1)(c1nc2ccccc2n1C)N(CC)CC 5072605 AHXUYMRGMNWZHX-UHFFFAOYSA-N 411.534 5.554 0 40 HKAB CC1(C)C[C@@](CCNCc2ccc(Cl)cc2)(Cc2ccccc2Cl)CCO1 5297394 FGZPBWPALAFDLD-HSZRJFAPSA-N 406.397 6.291 0 40 HKAB Cc1ccc(COc2ccccc2/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)cc1 5376171 GRTFAWTXYYPADD-XKZIYDEJSA-N 417.486 5.521 0 40 HKAB O=C(CC12CC3CC(CC(C3)C1)C2)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 5696152 QBBDREYGLMQTCB-ULCRDSCMSA-N 413.565 5.569 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 5954386 QJVBIXFQJVVLEE-UHFFFAOYSA-N 400.478 5.692 0 40 HKAB CC(C)c1ccc(NCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)cc1 5977315 BLEPJMWYAZAIMH-UHFFFAOYSA-N 414.553 5.747 0 40 HKAB Clc1ccccc1OCCSc1nnc(-c2ccccc2)n1-c1ccccc1 5987817 MCZLTVJXIHNMRO-UHFFFAOYSA-N 407.926 5.759 0 40 HKAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 6191574 SONHSJZAAQUCSG-MTJSOVHGSA-N 407.828 5.403 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 6203558 BDBJCARSYJDGAB-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB Cc1nc2ccc(NC(=O)c3oc4ccccc4c3COc3ccccc3)cc2s1 6216034 SZAWVPABJGFVBI-UHFFFAOYSA-N 414.486 6.182 0 40 HKAB Cc1ccc(-c2csc(-n3nc(/C=C/c4ccccc4)cc3C(F)(F)F)n2)cc1 6300979 NOKHZIDMUOIJBU-FMIVXFBMSA-N 411.452 6.493 0 40 HKAB CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 6310420 YHFAZSZAMKXXBU-UHFFFAOYSA-N 422.978 5.183 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccnc4Cl)c3)nc2c1 6449766 XIGKGOVLULWRHB-AWEZNQCLSA-N 405.885 6.309 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)N[C@@H]1C[C@H](C)CC(C)(C)C1 6483518 SXOOYTUJLLTENR-GXTWGEPZSA-N 419.978 5.123 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccc4cn[nH]c4c3)cc12 6566837 XNSNXFFFJNYWGK-UHFFFAOYSA-N 407.886 5.177 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 7505048 YRXIMFNOZTXYNV-SFHVURJKSA-N 414.977 5.062 0 40 HKAB CCc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)cc1 7544285 QFFJOOWCQUTFHO-QFIPXVFZSA-N 409.533 5.476 0 40 HKAB COc1cc2c(cc1NC(=O)Cc1c(C)nc3ccccc3c1C)oc1ccccc12 7952210 MZERNLTVJNRFDL-UHFFFAOYSA-N 410.473 5.941 0 40 HKAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3nc(C(C)C)cs3)cccc2c1=O 8315950 BUEICVQGMFUVBV-UHFFFAOYSA-N 404.491 5.601 0 40 HKAB Cc1nc2cc(C(=O)Nc3nc(-c4cccnc4)cs3)ccc2n1-c1ccccc1 8704709 YYCVRNHOXGAIHC-UHFFFAOYSA-N 411.490 5.105 0 40 HKAB O=C(NCCc1ccc(Br)s1)C(c1ccccc1)c1ccccc1 9112190 PMDYHMUTDMFSHL-UHFFFAOYSA-N 400.341 5.001 0 40 HKAB Cc1ccc(-n2c(SCc3cn4ccsc4n3)nc3ccccc3c2=O)cc1C 9141642 WWTSASQYHBGJKB-UHFFFAOYSA-N 418.547 5.004 0 40 HKAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1cnn(Cc2ccccc2)c1 9547939 WOECBCAUDNAACE-CLOONOSVSA-N 408.505 5.259 0 40 HKAB Cc1ccc(CN2C(=O)c3ccccc3[C@H]2c2c(-c3ccccc3)[nH]c3ccccc23)o1 9667298 XFJKIBPNIVQSOQ-MHZLTWQESA-N 418.496 6.482 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\C=C\c1ccco1 11612146 UMTNXSOYNXUORQ-HUCOUTNLSA-N 406.570 6.043 0 40 HKAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NCc4cccc(Cl)c4)c(C)c32)c1C 11867435 XIKPLMZAPZHCPP-UHFFFAOYSA-N 423.896 5.285 0 40 HKAB O=C(CCCSc1nc2sccc2c(=O)n1-c1ccccc1)c1ccccc1 12745568 RBYBLRNRXTYYNH-UHFFFAOYSA-N 406.532 5.202 0 40 HKAB COc1ccc2cc3c(N)c(C(=O)Nc4ccccc4C(F)(F)F)sc3nc2c1 13503441 GRRTVFFDHUZIDE-UHFFFAOYSA-N 417.412 5.311 0 40 HKAB Cc1cccc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3cccc(C)c3)c2C)c1 13960723 DBOMLJXIOAIWFC-UHFFFAOYSA-N 407.344 7.438 0 40 HKAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1Cl 14922399 UZEWGRHVXGUQIP-WNXIRNOKSA-N 413.904 5.583 0 40 HKAB biogenic C[C@@H](COc1ccc(Cl)cc1Cl)OC(=O)COc1ccc(Cl)cc1Cl 16969161 RHTAFHUHZANICM-JTQLQIEISA-N 424.107 5.690 0 40 HKAB Cc1ccc(Nc2nc(NCc3ccco3)nc3c2cnn3-c2ccccc2)cc1C 17052996 SKJZHDPKDOVXLV-UHFFFAOYSA-N 410.481 5.381 0 40 HKAB COc1ccccc1-c1nn(Cc2ccccc2)c(-c2ccccc2OC)c1Cl 17083072 OIPYHQMGPPXQGR-UHFFFAOYSA-N 404.897 5.936 0 40 HKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 20105221 YVNNZDRGTMVFJW-FQEVSTJZSA-N 416.304 6.582 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(OCCSc2ccccc2)cc1 20110789 OPZWFPNEYOWRAY-UHFFFAOYSA-N 405.563 6.235 0 40 HKAB O=C(O)c1cc(/C=C/c2cccc(C(F)(F)F)c2)nc2ccc(Br)cc12 22141837 GNUUPQRQZLKZNH-GQCTYLIASA-N 422.200 5.885 0 40 HKAB CCOC(=O)c1sc2nc(Sc3ccc(NC(C)=O)cc3)cc(C)c2c1C 25066967 VYFFWGWKTYIFDL-UHFFFAOYSA-N 400.525 5.199 0 40 HKAB COc1ccc([C@H]2CC(=O)c3cc(Cl)ccc3N2C(=O)OCc2ccccc2)cc1 26896144 BNQLMWIREBQSNF-JOCHJYFZSA-N 421.880 5.820 0 40 HKAB O=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccc(-c2ccccc2)cc1 32250881 YHTCUUPQEPBRRC-UHFFFAOYSA-N 402.386 6.999 0 40 HKAB CCCCc1ccc(NC(=O)c2c(C)oc3ncn(C4CCCCC4)c(=O)c23)cc1 35672396 ZAQZQRZFHOLJOW-UHFFFAOYSA-N 407.514 5.398 0 40 HKAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(OCc2cscn2)c(OC)c1 36395584 FPASZYXZEOLBKZ-UHFFFAOYSA-N 422.959 5.108 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CN2CCCCCC2)cc1 44855423 ROCPLPHFEQAFGF-QHCPKHFHSA-N 406.570 5.403 0 40 HKAB Cc1ccc2c(Nc3ccc(C(C)C)cc3)c(C(=O)N3CCCC[C@@H]3C)cnc2n1 49005296 NGDPEWSXXGXQMK-SFHVURJKSA-N 402.542 5.820 0 40 HKAB COc1cc(/C=C/C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1 62715147 VZGVRKLZVWYISY-WLRTZDKTSA-N 409.869 5.285 0 40 HKAB Cc1ccc(NCc2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1Cl 72334082 SESSKXNXRKKFIS-UHFFFAOYSA-N 422.355 7.646 0 40 HKAB Cc1cccc(NC(=O)c2ccn(-c3ccc4ccc(-c5cccc(F)c5)cn34)n2)c1 96038121 YXPZPJUOVZZFIN-UHFFFAOYSA-N 410.452 5.492 0 40 HKAB Cc1cc(Br)ccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 98073292 LGPAQKHTBBXEGI-UHFFFAOYSA-N 407.617 6.074 0 40 HKAB Fc1ccccc1COc1ccc(Cl)cc1CNc1ccc(Cl)c(Cl)c1 107039226 WAYZLFQVYOFPEI-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB CC(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 118916196 ZONPAOQEAXCIKO-TUXHAYCQSA-N 422.653 6.568 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)cc1Cl 223030217 VBMZTVAHCJWMGM-SFHVURJKSA-N 410.297 5.275 0 40 HKAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C 224264494 KAMIROVJSDAWTM-DHIUTWEWSA-N 404.583 5.314 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1cccc(OC)c1 224589215 RUMBEBUFQBIMIP-UHFFFAOYSA-N 421.493 5.324 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1CSc1ccccc1 224651957 VBPUAYPWHJUAQE-UHFFFAOYSA-N 411.954 6.592 0 40 HKAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1CSc1ccc(C)cc1 224665384 YRZCDVANWWHXGN-UHFFFAOYSA-N 405.563 5.958 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)NCc1ccccc1CN1CCCC1 224758806 UTRAEGALCSSJJE-UHFFFAOYSA-N 423.409 5.139 0 40 HKAB CCOc1ccc(-c2cnc(CCC(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 224858116 UWBNXUDQJXHGLW-UHFFFAOYSA-N 405.281 5.618 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3F)o2)c(OC)c1 224931773 SIOSNEMYHDVQLL-UHFFFAOYSA-N 418.424 5.417 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C 225529879 OXAADJUQXMLGJE-MRXNPFEDSA-N 420.380 6.930 0 40 HKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225745586 GGMLYXANWDLVRV-DEOSSOPVSA-N 404.595 5.255 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2ccccc12 225775618 VKVKEMHPVSLFKX-UHFFFAOYSA-N 421.512 5.701 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225803705 QTACNHCFYISLHI-UHFFFAOYSA-N 409.795 5.289 0 40 HKAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc(Br)c3)nc2c1 226282470 UKVYZXGNOWNITP-UHFFFAOYSA-N 413.193 5.173 0 40 HKAB NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)CCC2CCCC2)CC1 257240730 HUXAPNMPBICHGX-UHFFFAOYSA-N 424.610 5.022 0 40 HKAB COc1ccc(Cl)cc1C(=O)Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1 408529364 HBKIDLJWSFIFTJ-UHFFFAOYSA-N 416.864 5.692 0 40 HKAB CC1CCN(C(=S)Oc2ccc(C(=O)Nc3cccc4ccccc34)cc2)CC1 408723169 ZSSDGINNIZJSNO-UHFFFAOYSA-N 404.535 5.488 0 40 HKAB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C1=O 409072110 BGYWMSSUKZKIFC-MHWRWJLKSA-N 408.306 5.629 0 40 HKAB Fc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 409106845 OTVQJESJDLXLIL-UHFFFAOYSA-N 423.944 6.452 0 40 HKAB COc1cc(CNc2cccc(C)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409116505 OACQVBCCVPNVKP-UHFFFAOYSA-N 411.523 5.000 0 40 HKAB Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)c1 409118854 QLVRBUGGJDSQKC-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)o1 409133551 LIRONPAEXQRYRC-UDWIEESQSA-N 415.942 6.525 0 40 HKAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)OC(c1ccccc1)c1ccccc1 409184298 XBUITUPHGIUJTG-UHFFFAOYSA-N 409.869 5.253 0 40 HKAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)N(CC)c3ccccc3)c12 409204083 APJMOQVAAUVQMQ-UHFFFAOYSA-N 402.416 5.002 0 40 HKAB CC(C)c1ccc(C(=O)CCC(=O)Nc2nc3c(s2)CCc2ccccc2-3)cc1 409205599 RFBYPLYGUMNEFL-UHFFFAOYSA-N 404.535 5.634 0 40 HKAB O[C@@H]1[C@H](NCc2ccccc2)CCC[C@H]1Oc1ccccc1Oc1cccc(F)c1 585263199 JWFNDCDUTBUVMH-NQHRYMMQSA-N 407.485 5.069 0 40 HKAB Cc1ccc(CN2CCC[C@H]2c2csc(NC(=O)c3cccc(Cl)c3)n2)cn1 585295252 RUALHXDBNSSGLP-IBGZPJMESA-N 412.946 5.089 0 40 HKAB COc1ccc(Oc2ccc(N3C(=O)c4ccc5c6c(ccc(c46)C3=O)CC5)cc2)cc1 1095393 OTNRHLFDKJTJLX-UHFFFAOYSA-N 421.452 5.540 0 40 HKAB O=C(c1ccc(Cl)cc1)n1ccc(-c2nc3ccccc3n2Cc2ccccc2)n1 1383760 WTMFUIWRMKTWRR-UHFFFAOYSA-N 412.880 5.290 0 40 HKAB O=C(CSc1ccc(Br)cc1)Nc1nc(-c2ccc(F)cc2)cs1 1392110 KKVVQQZKUZRXRG-UHFFFAOYSA-N 423.332 5.443 0 40 HKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1c(Cl)cccc1Cl 1465889 GQUIUMNRXWTAMJ-UHFFFAOYSA-N 424.378 5.608 0 40 HKAB O=C(/C=C/c1ccccc1Cl)Oc1ccc(Br)cc1Br 1776119 LAQZUAXSLKBXQK-VMPITWQZSA-N 416.496 5.484 0 40 HKAB COc1ccc(CCNc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1OC 2141249 DGRRUVXWJKISCB-UHFFFAOYSA-N 416.546 6.149 0 40 HKAB CC(C)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1 2394413 DELVAOYYHVDIIE-UHFFFAOYSA-N 418.522 5.298 0 40 HKAB O=C(Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCC2)c1cccs1 2483711 JTSKYRVCPOMQTD-UHFFFAOYSA-N 402.928 5.456 0 40 HKAB Brc1cccc(-c2nc3ccccc3n2Cc2cccc3ccccc23)c1 2695566 PXIONESJTILPFP-UHFFFAOYSA-N 413.318 6.667 0 40 HKAB COc1ccccc1Nc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 3312990 LAZYFQNNPAIWPC-OQLLNIDSSA-N 404.466 5.108 0 40 HKAB FC(F)(F)c1cccc(-c2ccc(-c3nn4c(-c5ccccc5)nnc4s3)o2)c1 3651222 ZGWJXBFCWQTEBV-UHFFFAOYSA-N 412.396 5.799 0 40 HKAB Cc1cccc([S@@](=O)CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 4040711 DKRQKKPHXHHYNJ-AREMUKBSSA-N 405.346 5.346 0 40 HKAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccc(Cl)cc1Cl 4305143 VPSFUPYYAOIYOU-LJQANCHMSA-N 401.293 5.120 0 40 HKAB CC(C)C1=CC2=CC[C@@H]3[C@@](C)(COC(=O)CSC(C)(C)C)CCC[C@]3(C)[C@@H]2CC1 4804331 XFHWWPKUODMDOZ-SAZLYLDSSA-N 418.687 7.197 0 40 HKAB CCc1cc2cccc(C)c2nc1SCC(=O)Nc1ccccc1C(F)(F)F 4849298 QTXASVASRAWSQM-UHFFFAOYSA-N 404.457 5.855 0 40 HKAB CCOc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4ccc(C)cc4)cc2-3)cc1 5028604 XPLMXTAOUXPRLG-UHFFFAOYSA-N 423.516 5.967 0 40 HKAB Cc1ccc(-n2c(SCC(=O)N3CCCC[C@@H]3C)nnc2-c2cccc(C)c2)cc1 7158110 QAMITRVVFSAHRG-IBGZPJMESA-N 420.582 5.044 0 40 HKAB Cc1ccn2c(NC(=O)c3cc(F)c(F)cc3Cl)c(-c3cccs3)nc2c1 8230148 CTJHOAKGTIPINB-UHFFFAOYSA-N 403.841 5.555 0 40 HKAB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=Cc5n[nH]c(C(F)(F)F)c5C[C@@]4(C)[C@@H]3CC[C@]12C 8615172 RMQCASHVRADDSY-RQUQERSASA-N 422.491 5.542 0 40 HKAB COC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4Cl)o3)sc2c1 8904273 HAOYTADLFULOCB-UHFFFAOYSA-N 412.854 5.249 0 40 HKAB CC(=O)N1N=C(c2ccccc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 9260783 OUHMVPJXZMTKLN-QFIPXVFZSA-N 412.518 5.298 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)c(C)c1 9403986 AWNQFXNKQFDLGC-UHFFFAOYSA-N 423.563 5.393 0 40 HKAB CCCCCOc1ccccc1C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1 10280268 CRMUSGYHDALFHK-UHFFFAOYSA-N 408.542 5.570 0 40 HKAB COc1ccc([C@@H](CNC(=O)c2oc3ccc(C)cc3c2C)N2CCCCCC2)cc1 11915580 BJVAAFNQSAQLRF-HSZRJFAPSA-N 420.553 5.405 0 40 HKAB CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)o4)=NN23)cc1 12194834 YRTQDPXEEUNDKX-OFNKIYASSA-N 408.885 5.882 0 40 HKAB CCOc1ccc(-c2nc(COc3cccc(Cl)c3Cl)cs2)cc1OC 13071643 LTRBULPPMHMAPV-UHFFFAOYSA-N 410.322 6.103 0 40 HKAB O=C(Nc1ccc(Cl)cc1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 13394560 WNDNXRYHQFSJIR-UHFFFAOYSA-N 418.246 5.262 0 40 HKAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cc(Cl)ccc1Cl 17088750 TZKDLXRPIIEROH-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB COc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NC(=O)c1ccccc1Cl 17090210 YZPXUPKXQYNXNN-UHFFFAOYSA-N 415.276 5.507 0 40 HKAB Oc1ccccc1/C=C1\CCC[C@@H]2C1=NN1[C@@H]2c2ccccc2O[C@@H]1c1ccccc1 17138270 RBNFJAIQAGRWKX-GQUHPOGGSA-N 408.501 6.080 0 40 HKAB COc1ccc(NC(=O)c2cc(N3CCc4ccccc4C3)nc3ccccc23)cc1 18173564 PYJNMRXQAWACIF-UHFFFAOYSA-N 409.489 5.058 0 40 HKAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C[C@H]4CCCCO4)C3)c(-c3ccncc3)c2c1 19220217 PLPXYOWVHZBPFZ-NHCUHLMSSA-N 417.553 5.204 0 40 HKAB Cc1cccc(-c2noc([C@H](C)NC(=O)c3c(-c4ccccc4Cl)noc3C)n2)c1 19666668 HFHJWYWKWJRXOC-ZDUSSCGKSA-N 422.872 5.153 0 40 HKAB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(-c2ccc(Cl)cc2)o1 20528844 ZGVLVUSQQFDUOG-UHFFFAOYSA-N 421.869 5.019 0 40 HKAB COc1ccc(N(Cc2cccs2)C(=O)C2=C(c3ccccc3)SCCO2)cc1 20715386 QVYGUEOAKOPVHK-UHFFFAOYSA-N 423.559 5.422 0 40 HKAB Cc1ccc(C(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CN(C)CC4)cc1 20813608 SOIHMXHEXQRSPU-UHFFFAOYSA-N 419.575 5.134 0 40 HKAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)[C@]1(C)CC1(Cl)Cl 21925380 MQMVRNOCIURROY-INIZCTEOSA-N 417.130 5.251 0 40 HKAB CN(CCCNC(=O)c1ccccc1SCc1cccs1)Cc1ccccc1 21939049 ZERILWLDFVUKQE-UHFFFAOYSA-N 410.608 5.292 0 40 HKAB CCc1n[nH]c(=S)n1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 22110383 BQIYBXQILLTURH-UHFFFAOYSA-N 424.957 5.632 0 40 HKAB CCOc1ccc(-c2cc3c(SCc4ccc(F)cc4)nccn3n2)cc1Cl 23126605 PUVJUMQNGISMSK-UHFFFAOYSA-N 413.905 5.880 0 40 HKAB CCOC(=O)[C@H]1CCCN(c2cc(-c3nc4ccccc4s3)c3ccccc3n2)C1 25562689 XXUJGIBJYRPXTC-INIZCTEOSA-N 417.534 5.291 0 40 HKAB CC(C)n1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1cc2ccccc2o1 28211384 WZQZMJLQGYEIDB-WBVHZDCISA-N 412.559 5.059 0 40 HKAB COc1cccc([C@@H]2CC(O)=Nc3sc(C(=O)Nc4ccccc4C)c(C)c32)c1 32091244 LWIHOXOZMPQXJM-KRWDZBQOSA-N 406.507 5.749 0 40 HKAB CN(Cc1ccccc1NC(=O)/C=C/c1cnn(-c2ccccc2)c1)C1CCCCC1 32900674 LYDMAPBRYYUUGQ-WUKNDPDISA-N 414.553 5.289 0 40 HKAB CC(C)n1ncc2cc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)cnc21 32905568 NSVGFDGDDYWDLQ-UHFFFAOYSA-N 418.884 5.149 0 40 HKAB CSc1cccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)c1 32978802 DNQVAWOCTOOLRW-UHFFFAOYSA-N 406.532 6.094 0 40 HKAB CCCn1c(NC(=O)c2ccccc2SCc2cscn2)nc2ccccc21 39554839 NSQCXOOHRNXYKX-UHFFFAOYSA-N 408.552 5.447 0 40 HKAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 59500398 XBTCSUOTGFAZNH-QQNJPBSNSA-N 413.904 5.301 0 40 HKAB biogenic Cc1cc([C@H](C)NC(=O)Nc2nnc(SCc3ccccc3)s2)c(C)s1 65550306 QKDFYYNWCPXXEY-LBPRGKRZSA-N 404.586 5.391 0 40 HKAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3cc[nH]c3c2)C12CCCC2 72324851 LGCOGIPCKJPRBP-SBUREZEXSA-N 415.537 5.457 0 40 HKAB biogenic Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 72356096 ZGBPBYUYWSFFGT-NRFANRHFSA-N 405.929 5.049 0 40 HKAB O=C(Nc1ccccc1)O[C@H]1CCC[C@H](NC(=O)C2(c3cccs3)CCCC2)C1 77200216 URESBQXCFWSOGE-OALUTQOASA-N 412.555 5.236 0 40 HKAB COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C2CC2)c1 101478015 LVTLUGDKDITAIH-XMMPIXPASA-N 416.521 5.898 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1cc(C(F)(F)F)[nH]n1 118926567 CLAGQRWCTZRCME-LUTUCUKNSA-N 408.508 5.836 0 40 HKAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccccc1-c1cn2ccsc2n1 206893147 IVSHGOYDBCJLAA-UHFFFAOYSA-N 417.412 5.099 0 40 HKAB Cc1ccc(C)c([C@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)c1 218873572 UOFJZDSPHUDKSX-INIZCTEOSA-N 404.348 5.446 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219350507 DEYHHALLKLWABF-PKTZIBPZSA-N 419.521 5.424 0 40 HKAB C[C@H]1CCCN(c2ccc(NC(=S)NCc3ccc(-c4ccccc4)o3)cn2)C1 223911054 IDPDJYNFDKJENQ-KRWDZBQOSA-N 406.555 5.065 0 40 HKAB C[C@@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccccc3)CCCCC2)cn1 223993328 GVKZZZJRXPNPIC-HXUWFJFHSA-N 422.642 5.649 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccccc1Cl 224139115 XTMQESYXVJJDKF-UHFFFAOYSA-N 413.926 5.902 0 40 HKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 224342707 XJXFCOGCCFHIKO-RPBOFIJWSA-N 424.573 5.612 0 40 HKAB COc1ccc(OC)c([C@@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 225475427 KABHWQQEZPBKLN-HRKXOBMBSA-N 421.924 5.775 0 40 HKAB FC(F)(F)c1cc(NC(=S)NCCCc2ccc(Cl)cc2)ccc1Cl 225543864 SPQRJOSSWXBVSZ-UHFFFAOYSA-N 407.288 5.931 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)ccc1OCC(C)C 225680185 QXJIZJWUBUODFJ-UHFFFAOYSA-N 423.553 5.657 0 40 HKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1cc(C)c(O[C@H](C)CC)c(C)c1 225743361 WOIFUUPCNZKMID-OAQYLSRUSA-N 405.623 6.677 0 40 HKAB Nc1c(Br)cc(-c2nc3ccc(F)cc3s2)cc1Br 226237704 NOKDINNUYDTVTA-UHFFFAOYSA-N 402.086 5.210 0 40 HKAB C[C@H]1C[C@H]2CC[C@@]1(NC(=O)CCCCC(=O)N[C@@H]1C[C@H]3CC[C@@]1(C)C3(C)C)C2(C)C 245231701 ISINGHVAECMBPX-UMAHDQFWSA-N 416.650 5.209 0 40 HKAB CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3ccccc3)N[C@H]2c2ccc(Cl)cc2)n1 257204146 ATFGFYHBTDIYNK-HJNYFJLDSA-N 422.960 5.117 0 40 HKAB Cc1cc2c(cc1-c1ccnc3ncnn13)N(C(=O)c1ccccc1)C(C)(C)C[C@H]2C 618256965 PFHKLMZRQYJBAJ-QGZVFWFLSA-N 411.509 5.032 0 40 HKAB CCCc1cnc(Nc2cccc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)n2)s1 2037836158 RLEHRKWITQQKJR-GOSISDBHSA-N 412.603 5.521 0 40 HKAB CCC(=O)Nc1ccc(NCc2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 624318 KDHHZCKCOJIXOC-UHFFFAOYSA-N 404.510 5.543 0 40 HKAB CCCC(=O)NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 724339 YNQKRVRWJQCQTE-UHFFFAOYSA-N 408.310 5.415 0 40 HKAB COc1cccc(C(=O)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)c1 828018 QQNJXZBUBQQARL-UHFFFAOYSA-N 423.266 5.518 0 40 HKAB Cc1ccc(C)c(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1 868187 HEDBUTFMHDJJKT-UHFFFAOYSA-N 410.473 5.196 0 40 HKAB COc1ccccc1NC(=O)CSc1nc(-c2ccc(C)cc2)nc2ccccc12 887034 SXUHFKJWEPCIIW-UHFFFAOYSA-N 415.518 5.345 0 40 HKAB COc1ccc(Oc2coc3cc(OC(=O)c4cccc(Cl)c4)ccc3c2=O)cc1 945044 JOHVIKRMKJHJFK-UHFFFAOYSA-N 422.820 5.467 0 40 HKAB biogenic CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2F)c2ccccc2)C[C@H]1C 974767 OGNCBBCPTNZPKR-MZNJEOGPSA-N 402.469 5.359 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccncc2)N2CCC(C)CC2)c1C 1298415 ZVPKOUKTJMFOHH-QHCPKHFHSA-N 419.594 5.834 0 40 HKAB Cc1cc(C)c(-c2c(O)c(Br)c(C)c(O)c2Br)c(C)c1 1743268 QPKOFUUQBMNCJL-UHFFFAOYSA-N 400.110 5.523 0 40 HKAB Cc1ccc2c(c1)-c1c(sn(-c3ccc(Cl)c(Cl)c3)c1=S)C(C)(C)N2 2055931 UPJKSXMMQPLSQD-UHFFFAOYSA-N 407.391 7.211 0 40 HKAB CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccccc1 2193304 OGCXNCGINLAPHU-FYBSXPHGSA-N 422.509 6.140 0 40 HKAB Cc1ccccc1CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 2394213 WATVUYHKXOSLRX-UHFFFAOYSA-N 422.575 5.579 0 40 HKAB CC(C)(C)c1ccc(OCCOCCOc2cc(C(C)(C)C)ccc2O)c(O)c1 3067676 BWIBGVPXVKFCNO-UHFFFAOYSA-N 402.531 5.167 0 40 HKAB Cc1ccc(Cl)c(NC(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)c1 3166314 RKNAUIKGIBQPJZ-MRXNPFEDSA-N 407.175 5.111 0 40 HKAB Cc1ccc(-c2nc3c(C)cccc3o2)cc1NC(=O)c1cc(Cl)ccc1Cl 3208207 KFQLRLDVIAXHBJ-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB CCN1C(=S)N(CC)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C1C 3296570 MMLPTAFWZLUTCL-HXUWFJFHSA-N 413.974 5.236 0 40 HKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1 3314871 MDJCVAIPXUKDEP-UHFFFAOYSA-N 403.960 5.374 0 40 HKAB O=C(Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)C1CCCCC1 4078224 RUPDBYHOQQBBGQ-UHFFFAOYSA-N 401.479 5.368 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)cc2Cl)N3)C1 4545545 AQCBYPSYPUHQPE-BBATYDOGSA-N 423.409 7.025 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1cc(C)cc(C)c1 4554548 LQZKEJHMWXQLGE-UHFFFAOYSA-N 418.518 5.606 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(OC)ccc2OC)N3)C1 4554580 GNPZGDUCNOJVCQ-RBZFPXEDSA-N 414.571 5.735 0 40 HKAB CCOc1ccc(C2=C(CN(C)C)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 4833969 PQBWSADFQMBVPS-RUZDIDTESA-N 403.497 5.722 0 40 HKAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(OCC(C)C)cc4)c3)nc2c1 4906742 FZWCNDKVCDQSHO-UHFFFAOYSA-N 414.505 6.399 0 40 HKAB COc1ccccc1CNc1c2c(nc3cc(-c4cccc(F)c4)nn13)CCCC2 4980740 RXUZNTPIEMVDAJ-UHFFFAOYSA-N 402.473 5.035 0 40 HKAB CC[C@H](C)NC[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C)ccc21 5610916 UVKPBZRFTXPAQX-URXFXBBRSA-N 412.577 6.033 0 40 HKAB COc1ccc(-c2nc(CSc3nc4ccccc4s3)cs2)cc1OC 5629043 AZSZAJUSEXPHLO-UHFFFAOYSA-N 400.550 5.729 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 5891881 YQVIWQBDNWGJGN-AWNIVKPZSA-N 411.288 5.898 0 40 HKAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(-c4ccc(C(C)C)cc4)nnc23)cc1 6781173 LUHAGBZJGGQFHW-UHFFFAOYSA-N 408.505 5.191 0 40 HKAB CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 7881363 NXTZOBBYTLBODS-GOSISDBHSA-N 415.489 5.242 0 40 HKAB CCc1ccc2occ(CC(=O)Nc3c(C(=O)c4ccccc4)oc4ccccc34)c2c1 8612001 ISNQCFSQIHSRMF-UHFFFAOYSA-N 423.468 6.154 0 40 HKAB COc1ccc(-c2csc3ncnc(Nc4cc(NC(C)=O)ccc4OC)c23)cc1 8708139 ONUMFZCKOJXTAB-UHFFFAOYSA-N 420.494 5.078 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1SCc1ccsc1 8719514 ZJSNSVWLQOYTCR-OAHLLOKOSA-N 424.616 6.483 0 40 HKAB Cc1ccc2[nH]c(-c3cc4cc(Cc5ccccc5Cl)ccc4oc3=O)nc2c1 9187373 OTFGGOWTSBJRGN-UHFFFAOYSA-N 400.865 5.889 0 40 HKAB C[C@@H](OC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccccc1F 9415257 HULZKWAEXUCRDY-GFCCVEGCSA-N 421.346 5.289 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1 9892153 YYEHEXHLDANARL-UHFFFAOYSA-N 419.481 5.323 0 40 HKAB CCc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3ccccc3SC)nc12 10881844 NAVWYPDWDFBXHL-INIZCTEOSA-N 412.580 5.406 0 40 HKAB CC(=O)Nc1cc(NC(=O)c2cccnc2Sc2ccccc2Cl)ccc1F 12796308 HWLTYYWFNOVCDL-UHFFFAOYSA-N 415.877 5.236 0 40 HKAB Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)n1 13228271 POBASQDFOMJYLC-QHCPKHFHSA-N 410.473 5.370 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3Cl)c3ccccc3C)cc2c1 13661859 GEQYCEUMLCITBE-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 13684624 WMZBWEITVKUUNN-SFHVURJKSA-N 402.494 5.046 0 40 HKAB Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(C)o1 14184569 FBQGFCNYAALYJC-UHFFFAOYSA-N 402.372 5.420 0 40 HKAB O=C(Nc1nc2ccccc2s1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 15905864 GFZRUUYNEPEPQC-NBVRZTHBSA-N 422.456 6.077 0 40 HKAB Cc1ccc(S[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 16310799 MHXMZXXLPSEHSJ-AWEZNQCLSA-N 414.423 5.832 0 40 HKAB C[C@@H]1CCCN(c2nc(Nc3ccc(Cl)cc3)c3cnn(-c4ccccc4)c3n2)C1 17245737 JBLGTALPBBUBKR-MRXNPFEDSA-N 418.932 5.449 0 40 HKAB CCn1cc(CN2CCC(c3ccc(-c4cncnc4)cn3)CC2)c2ccc(F)cc21 19688062 JKOSKVLTUHFUDH-UHFFFAOYSA-N 415.516 5.032 0 40 HKAB COc1ccc2c(c1)C=C(C(=O)Nc1ncc(Cc3ccc(C)c(C)c3)s1)C=CO2 19809967 LTPKBHQXVZUVLP-UHFFFAOYSA-N 418.518 5.288 0 40 HKAB COc1cc(CN[C@H](C)[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccs1 22107569 FKNRXMIRVXGEBF-QVKFZJNVSA-N 417.958 5.201 0 40 HKAB Cc1noc(C)c1CC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 24069786 NUZKRRHZCYQCCH-UHFFFAOYSA-N 421.497 5.330 0 40 HKAB COc1ccc2cc([C@H](C)C(=O)Nc3c(C)nn(-c4ccc(C)cc4)c3C)ccc2c1 24928013 GZSCHCVCCCSGBH-KRWDZBQOSA-N 413.521 5.702 0 40 HKAB CCc1ccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=N[C@@H](CC)CS2)cc1 26532279 WQHWFLQOQBQTGA-KRWDZBQOSA-N 418.509 5.421 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)NC[C@H](c3ccccc3Cl)N3CCCCC3)oc2c1 27993350 PMYGNDXMDMAQCY-OAQYLSRUSA-N 424.972 5.968 0 40 HKAB Cc1c(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)oc2ccccc12 28289693 GQSDVOQPQSOPFL-JOCHJYFZSA-N 404.554 5.606 0 40 HKAB CCCc1c(C(=O)Nc2ccccc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 33026804 BVRCMPSNKCRWRJ-UHFFFAOYSA-N 423.476 5.280 0 40 HKAB Cc1ccc(NC(=O)N(CCc2nc3ccccc3[nH]2)Cc2ccc(F)cc2)cc1 35291242 PASRIWYVFAUAOT-UHFFFAOYSA-N 402.473 5.287 0 40 HKAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)c1OC 36353092 ITMHWYJEKQCODR-HNNXBMFYSA-N 417.387 5.032 0 40 HKAB C[C@H](NC(=O)Nc1cccc(NC(=O)c2ccco2)c1)c1ccc(Cl)cc1Cl 40104440 ZDPLWGKRWUGPGR-LBPRGKRZSA-N 418.280 5.721 0 40 HKAB Cc1sc(NC(=O)c2cccc(Br)c2)nc1-c1cccc(Cl)c1 40926386 HGLFOULRHJUXCL-UHFFFAOYSA-N 407.720 5.787 0 40 HKAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1ccccc1 44086962 LZASMEMWMPQJAI-UHFFFAOYSA-N 403.482 5.409 0 40 HKAB Cc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccn3)C2)cc1C 49421456 OMJBQFFYBXKFNA-UHFFFAOYSA-N 414.534 5.625 0 40 HKAB CCN(C(=O)NCc1ccc(OC)c(OC)c1)[C@@H](c1ccccc1)c1ccc(F)cc1 72285573 PBHVWKJTTBXZRB-DEOSSOPVSA-N 422.500 5.164 0 40 HKAB CC(C)c1ccc(OCCc2cc([C@H]3CCN(C(=O)C4CCCCC4)C3)n[nH]2)cc1 72371258 JEVIXKMDIOXMAL-NRFANRHFSA-N 409.574 5.051 0 40 HKAB CCC(C)(C)C1=CC(=C2C=C(C(C)(C)CC)C(=O)c3ccccc32)c2ccccc2C1=O 95932098 WCHVKZNNCBGHEU-UHFFFAOYSA-N 424.584 7.715 0 40 HKAB CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@]1(O)c1ccc(F)cc1 106013322 FWIMWRAGFVUMJK-VCLDYQMPSA-N 403.541 6.152 0 40 HKAB Cc1ccc(Oc2ccc(N3C(=O)c4ccc5c6c(ccc(c46)C3=O)CC5)cc2)cc1 107083020 WIAXFPBRKCVSPI-UHFFFAOYSA-N 405.453 5.840 0 40 HKAB Cc1oncc1C(=O)Nc1cccc(-c2csc(Nc3ccc(F)cc3F)n2)c1 206892719 JCMBJBCHWDZLCG-UHFFFAOYSA-N 412.421 5.381 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc(Cl)cc2)s1 224018584 IOAGAYYDSWFKCP-XBXARRHUSA-N 410.713 5.817 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)ccc1Br 224242068 IYWJQABTJZXEHO-UHFFFAOYSA-N 410.267 5.674 0 40 HKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)cc1 224242638 GNZLFXBXKAYUIB-LOSJGSFVSA-N 424.573 5.666 0 40 HKAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(Oc2ccccc2)cc1 225806760 ITYMHYPSVOESGF-UHFFFAOYSA-N 419.868 5.754 0 40 HKAB Clc1ccc(CSc2nc(COc3ccc(Br)cc3)no2)cc1 226822632 FVYVYMVSHOWZFC-UHFFFAOYSA-N 411.708 5.357 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2cccc(Cl)c2)cc1 408697820 JVXZLJNQKFLIPV-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCOC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccccc1 409001536 IZOSIVNZQHWHCV-FQEVSTJZSA-N 402.450 5.402 0 40 HKAB CCOc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccccc2)cc1 409096032 JJOKUVDLHLAQJK-UHFFFAOYSA-N 405.498 5.764 0 40 HKAB Cc1c(Br)ccc(NC(=O)CSc2cccc3ccccc23)c1C 409177857 JTAMHWIGZMQXJL-UHFFFAOYSA-N 400.341 5.950 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(OCc2ccccc2)cc1 834864 CIGCMJGMIFWIOQ-UHFFFAOYSA-N 402.277 5.590 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1Br 2051891 AKWDOOPDFDLDCB-UHFFFAOYSA-N 409.308 5.978 0 40 HKAB CCCCc1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)cc1 2086527 WZWWONXGHUOUGU-UHFFFAOYSA-N 400.547 6.867 0 40 HKAB C=Cc1ccc(COc2ccc3c(=O)c(Oc4ccccc4OC)c(C)oc3c2)cc1 2102204 BZWISEPOGRLVQU-UHFFFAOYSA-N 414.457 6.124 0 40 HKAB CCCOc1ccc(Oc2nc(-c3cccc(OC)c3O)nc3ccccc23)cc1 2236951 HUEFRFSKKRGALQ-UHFFFAOYSA-N 402.450 5.592 0 40 HKAB O=C(NC[C@H](SCc1ccccc1)c1ccccc1)c1cc(F)c(F)cc1Cl 2336557 GDZAQFUXJPLBBD-NRFANRHFSA-N 417.908 6.023 0 40 HKAB CCn1c2ccccc2c2cc(N[C@@H]3OC(=O)c4c3ccc(OC)c4OC)ccc21 2422773 JRYFARVSHPEETH-HSZRJFAPSA-N 402.450 5.113 0 40 HKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2-c2ccccc2)cc1 2452975 UTFPWLPZMJSDDX-UHFFFAOYSA-N 414.534 5.282 0 40 HKAB O=C(C[C@@H](SCc1ccc(Cl)cc1)C(=O)O)c1ccc(C2CCCCC2)cc1 2570979 IPGMIUZSKCOUQC-JOCHJYFZSA-N 416.970 6.347 0 40 HKAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3ccc(OCc4ccccc4)cc3)sc2C1 3207642 SRVDMIHSFWSWQO-LJQANCHMSA-N 420.578 6.125 0 40 HKAB O=C(c1ccccc1)N1c2ccccc2N=C(c2ccccc2)C[C@H]1c1ccccc1 4113811 KFHHONJYQNOKAS-MHZLTWQESA-N 402.497 6.599 0 40 HKAB O=c1[nH]c(-c2ccccc2OCc2ccccc2F)nc2sc3c(c12)CCCC3 4546573 BUTIKTHRTDVBBN-UHFFFAOYSA-N 406.482 5.249 0 40 HKAB CCOc1ccc2ccccc2c1[C@@H]1N=C(O)c2c(sc3c2CCN(C(C)C)C3)N1 4554093 DYYVUFWTPVTXQV-JOCHJYFZSA-N 421.566 5.495 0 40 HKAB COCc1cc(C)nc2sc3c(c12)N=C(c1ccccc1)O[C@@H]3c1ccccc1 4709191 BEXSUXWTLJGQLG-OAQYLSRUSA-N 400.503 5.949 0 40 HKAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(C)n1C 4979905 VKYHCUGQVJERTP-UHFFFAOYSA-N 414.534 5.136 0 40 HKAB Cc1noc(-c2ccc(OCc3ccc(F)cc3Cl)cc2O)c1-c1ccccc1 5450876 QUNFYOIJCOKVHD-UHFFFAOYSA-N 409.844 6.394 0 40 HKAB biogenic Brc1ccc(SCc2ccc(-c3nc4ccccc4s3)cc2)cc1 5705110 KUTXJMJWSCHZGL-UHFFFAOYSA-N 412.377 7.018 0 40 HKAB OC1=C2C(=NC(Nc3nc4ccccc4s3)=N[C@@H]2c2ccccc2Cl)CCC1 5904488 DZXQVIXJFVSDCM-LJQANCHMSA-N 408.914 5.910 0 40 HKAB O=C(COc1cccc(C(F)(F)F)c1)NCCC(c1ccccc1)c1ccccc1 6227555 SEDSYBZTKHETFG-UHFFFAOYSA-N 413.439 5.423 0 40 HKAB C[C@H](CCc1ccccc1)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 6252593 AMWWRAHEOJXXJL-GOSISDBHSA-N 414.936 6.306 0 40 HKAB COc1cc(C)c(NC(=O)c2oc3ccccc3c2COc2ccccc2)cc1OC 6258928 YWUOMMYZRWCYGL-UHFFFAOYSA-N 417.461 5.590 0 40 HKAB COc1cc(C(=O)Nc2ccc(Cl)cc2Cl)cc(Br)c1OC 6380704 PIZMOPLCJPASPV-UHFFFAOYSA-N 405.075 5.025 0 40 HKAB COc1ccccc1NC(=O)c1ccc(NC(=O)CCCOc2ccc(C)cc2)cc1 6553451 SNYKJYLSEVWOSA-UHFFFAOYSA-N 418.493 5.054 0 40 HKAB CC(=O)c1ccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)cc1 6624359 LBCXRFZEYZWXLT-UHFFFAOYSA-N 417.461 5.157 0 40 HKAB biogenic Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3o2)c1 6825822 HTACZOUSFWMASA-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3C/C=C/c3ccccc3)CC2=O)c1 7278092 CIEFLHQSSQOJIJ-HDFUYHJRSA-N 421.544 5.887 0 40 HKAB COc1ccc(N(Cc2cccs2)C(=O)CN2CCC[C@H]2c2cccs2)cc1 7362974 LQNDAVWQHMUGRK-FQEVSTJZSA-N 412.580 5.189 0 40 HKAB COc1cc(OC)cc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)c1 8108310 PFUHVBQDCYCRAL-UHFFFAOYSA-N 407.249 5.628 0 40 HKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 8327843 IAKFNEOGXGWUMU-QGZVFWFLSA-N 406.555 5.099 0 40 HKAB Cc1ccccc1N(CC(=O)c1ccc(C2CCCCC2)cc1)C1=NCCCS1 8415708 VURQWRGERVQJOQ-UHFFFAOYSA-N 406.595 6.225 0 40 HKAB O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nnc(Nc2ccccc2F)s1 8829371 NARZPCMTHLCMSZ-UHFFFAOYSA-N 408.241 5.501 0 40 HKAB O=C(Cc1ccccc1)Nc1sc2ccccc2c(=O)c1-c1cccc2ccccc12 9328059 NOLXSXMGMZDZDX-UHFFFAOYSA-N 421.521 6.263 0 40 HKAB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1cc(Cl)ccc1Cl 9363818 TXQGBCVREKECEZ-UHFFFAOYSA-N 424.740 5.832 0 40 HKAB C[C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)c1ccc(Br)cc1 9877256 OXYIIQQFJFTJIA-SNVBAGLBSA-N 423.719 5.516 0 40 HKAB CCOC(=O)c1sc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)nc1C 9987591 KZMRHJGSVAUJQX-UHFFFAOYSA-N 415.323 5.402 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 10315284 OGIYRXJUGILSSP-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1cc2cc(Cl)ccc2o1 12593450 RWUADHFBPCTLES-UHFFFAOYSA-N 423.925 5.578 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)OCc1ccc(Cl)cc1Cl 12637229 GBCHBYVXJKIBGN-MDZDMXLPSA-N 419.283 5.692 0 40 HKAB CC(=O)c1cccc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c1 12767255 LMTGRSPDWKUVJO-UHFFFAOYSA-N 404.495 5.196 0 40 HKAB COc1cc(SC)ccc1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 12918999 GLAJZTIIYPENKZ-UHFFFAOYSA-N 410.520 5.217 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C 13548577 PRYIJAGAEJZDBO-OYYOEVTJSA-N 402.663 6.600 0 40 HKAB CCCCc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 14083215 LPLNGGADWGPUIU-UHFFFAOYSA-N 423.582 6.108 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 16955175 ANTDQQKUYCAXON-UHFFFAOYSA-N 420.896 5.194 0 40 HKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(C(F)(F)F)cc1Cl 17089041 JCKDXEYSWQUJMQ-UHFFFAOYSA-N 411.851 6.424 0 40 HKAB c1ccc(C[C@H](NCCN[C@@H](Cc2ccccc2)c2ccccc2)c2ccccc2)cc1 19365880 MLOAIMHDNLNGIR-KYJUHHDHSA-N 420.600 6.134 0 40 HKAB O=C(c1cc2ccccc2o1)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 19376265 DKAFVFYRWWXJOX-UHFFFAOYSA-N 413.399 5.348 0 40 HKAB CCc1nn2c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)nnc2c1-c1ccc(F)cc1 20672741 BECXTDWILVCJKG-UHFFFAOYSA-N 423.879 5.015 0 40 HKAB COc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4cccc(Cl)c4)c3c2c1 21017599 KCJGIPJPRORDFM-UHFFFAOYSA-N 403.844 6.042 0 40 HKAB O=C(Nc1c(Cl)ccc2nsnc12)c1ccc(-c2cccc(Cl)c2Cl)o1 21595918 UUBHZULJUWFWIB-UHFFFAOYSA-N 424.696 6.164 0 40 HKAB Cc1ccc(Sc2nc3ccccc3cc2/C=C2/N=C(c3ccccc3)OC2=O)cc1 21596670 FHMQMECKFZOJEG-XQNSMLJCSA-N 422.509 6.039 0 40 HKAB COc1ccccc1-n1c(C)c(C)c2c1ncn1nc(-c3ccccc3Cl)nc21 21801238 NKQWPYKYRSVKOF-UHFFFAOYSA-N 403.873 5.014 0 40 HKAB Cc1cc2oc(C(=O)N(Cc3cccc(Cl)c3)c3ccccn3)c(C)c2cc1C 28287286 GOPCPJZEQDMBPY-UHFFFAOYSA-N 404.897 6.253 0 40 HKAB COc1ccccc1[C@H]1CC(O)=Nc2sc(C(=O)Nc3ccc(C)cc3)c(C)c21 32072390 UMSDOZQWNLJSDT-QGZVFWFLSA-N 406.507 5.749 0 40 HKAB O=C(NCc1ccccc1)c1cccc(Nc2c(-c3ccccc3)nc3cnccn23)c1 35622028 ZJLBCHBNQIGHJH-UHFFFAOYSA-N 419.488 5.070 0 40 HKAB CCOc1ccccc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38834302 XKDNQLPGXCUTCG-UHFFFAOYSA-N 407.341 5.243 0 40 HKAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)N(C)Cc1cccc(Cl)c1Cl 40104815 KKQHRVOXLNJHJK-UHFFFAOYSA-N 420.340 5.202 0 40 HKAB C[C@H](OC(=O)COC(c1ccccc1)c1ccccc1)c1nc2ccccc2s1 40161922 KYZXOWCOPHAJBJ-KRWDZBQOSA-N 403.503 5.707 0 40 HKAB Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)c(C)c1 57487236 LVNOHBCUKVKKRO-UHFFFAOYSA-N 406.873 5.114 0 40 HKAB Cc1ccc(Cn2c(SCc3ccc(F)cc3Cl)nc3ccccc3c2=O)cc1 67259475 OVIFYLFAHLVQME-UHFFFAOYSA-N 424.928 5.838 0 40 HKAB Clc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1 67261482 CGCSOWQTZSUELX-UHFFFAOYSA-N 420.303 5.863 0 40 HKAB Clc1cccc(-c2nnn3c2nc(NCCCc2ccccc2)c2ccccc23)c1 67261511 SWOSCJQEFNJSCC-UHFFFAOYSA-N 413.912 5.643 0 40 HKAB O=C(CCc1ccc(Cl)cc1)N1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 72380385 KRGWFDNULLIYIM-SFHVURJKSA-N 411.908 5.208 0 40 HKAB CC(C)c1cc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc(C(C)C)c1 77273532 PYIXRBAUGAEEEW-UHFFFAOYSA-N 410.450 7.578 0 40 HKAB in-vitro COc1cccc(-n2cc(-c3nc(-c4ccc(C)cc4)no3)c3ccccc3c2=O)c1 96324269 QZOOFVRGCQCTHH-UHFFFAOYSA-N 409.445 5.025 0 40 HKAB O=C(CN1CCCCC1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 96399897 IFAGTGSSDRZZGP-CIKANIEGSA-N 413.565 5.296 0 40 HKAB Clc1ccccc1COc1ccc(Br)cc1CNc1ccccc1 107028328 QSPDHCRTMCVJIK-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB COc1ccccc1CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 222628838 VBIKRDVSACQFSB-UHFFFAOYSA-N 402.881 5.494 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)N1CCC(Cc2ccccc2)CC1 222717683 CXJFBGYADFVBCQ-UHFFFAOYSA-N 408.394 5.708 0 40 HKAB CC[C@@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc2c(c1)CCCC2 223079401 AOACAAXJSAUZAT-HXUWFJFHSA-N 412.382 5.443 0 40 HKAB COc1ccc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3Cl)ccc2c1 223143441 XZHKMXOWRCDMJB-UHFFFAOYSA-N 415.820 5.321 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1cc(C)cc(C)c1 224193151 UKEGCEXWLKPJAL-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 224823459 JZNPVJNSGSKSQT-LEWJYISDSA-N 415.961 6.005 0 40 HKAB Nc1c(-c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)nn1-c1ccc(Cl)cc1 225180640 XLYWAAZGNDQISM-UHFFFAOYSA-N 406.622 6.101 0 40 HKAB S=C(NCCSCc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1 225344131 RPNWDPYFAZFALX-UHFFFAOYSA-N 405.803 5.867 0 40 HKAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 225411933 QIJYZPSQJMPIRK-OAHLLOKOSA-N 421.368 5.091 0 40 HKAB COc1ccc(C2(C(=O)Nc3ccc(OC4CCCC4)c(C)c3)CCCCC2)cc1 225559952 OVOCAWJOWQYXTP-UHFFFAOYSA-N 407.554 6.166 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)C1CCN(Cc2ccc(Cl)cc2F)CC1 225577447 ZTVSMTYICZEZOH-UHFFFAOYSA-N 414.830 5.349 0 40 HKAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(OC3CCCC3)cc1)CC(C)(C)O2 225675880 IELLJMQUYBBJMQ-OAQYLSRUSA-N 410.583 5.905 0 40 HKAB O=C(COc1cccc(C(F)(F)F)c1)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 225808978 QRYSCRAYGMMODW-LJQANCHMSA-N 419.443 5.427 0 40 HKAB O=C1CC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)Oc2c(Cl)cccc21 225828208 MVOYGZZCJISWCT-UHFFFAOYSA-N 405.281 5.025 0 40 HKAB Cc1nc2ccccn2c1-c1nnc2sc([C@H](C)c3ccc(CC(C)C)cc3)nn12 227143349 OIWUTTJWOTXZDX-OAHLLOKOSA-N 416.554 5.159 0 40 HKAB COc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3c3ncc(Cc4ccccc4)o3)cc2c1 257215316 CPONUIVFRKPLMJ-HSZRJFAPSA-N 415.493 5.123 0 40 HKAB Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)o1 260763104 INXFKVGVRHICLX-PUCZYUMASA-N 409.942 5.893 0 40 HKAB COc1cc([C@H]2NC(SC(C)C)=NC(C)=C2C(=O)Nc2ccccc2)ccc1C 408988497 ICQLCBYRDPGOEQ-OAQYLSRUSA-N 409.555 5.058 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 408992595 APFXCWIGIGBQIV-BULFRSBZSA-N 410.300 6.163 0 40 HKAB Cc1ccccc1COc1ccc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 409024578 FCJCQEDDHUGZSV-XKZIYDEJSA-N 403.865 5.572 0 40 HKAB Cc1ccccc1OCc1nn(CC(=O)Nc2cc(Cl)cc(Cl)c2)c(=S)o1 409175094 PTZLZMJFWLUVHV-UHFFFAOYSA-N 424.309 5.039 0 40 HKAB COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1C 409370014 JKZRGBFLHUQHAB-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB Cc1ccccc1CSCCNC(=O)CSCc1ccc(Br)cc1 409409709 QGYPNSFIUNQMDF-UHFFFAOYSA-N 424.429 5.040 0 40 HKAB CC(C)[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)CO[C@@H]1c1cccc(Cl)c1 643913209 KZUPNJJMWLKQKE-FGZHOGPDSA-N 401.982 5.090 0 40 HKAB CC1(C)CCC(N2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)CC1 2037946936 JWOSRNGJRJGSJH-OAQYLSRUSA-N 400.390 5.558 0 40 HKAB COc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3C)c2c1 917201 PJLOOLMNJOPASQ-UHFFFAOYSA-N 415.518 5.345 0 40 HKAB O=C(O)c1c(-c2ccccc2)oc2ccc(OCc3ccc(Br)cc3)cc12 946556 YAIJXSLQRXOJBI-UHFFFAOYSA-N 423.262 6.140 0 40 HKAB biogenic COc1cc(NC(=O)OC(C)C)ccc1-c1ccc(NC(=O)OC(C)C)cc1OC 1688208 AWYJYSMYEPUXOB-UHFFFAOYSA-N 416.474 5.285 0 40 HKAB COc1ccccc1[C@H](CCNCc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 1823341 DIBYKYGPIBICIU-HXUWFJFHSA-N 409.913 5.389 0 40 HKAB biogenic COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cc(C)cc23)cc1 2079783 NOTDVVOPOCVQOL-UHFFFAOYSA-N 416.908 6.433 0 40 HKAB CCCOC(=O)c1ccc(Oc2c(C)oc3cc(OCC=C(C)C)ccc3c2=O)cc1 2104812 PDEKNNBKCAZOHF-UHFFFAOYSA-N 422.477 5.806 0 40 HKAB biogenic COc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3cc(C)cc(C)c3)c2)cc1 2146283 UYBKXFPJFRLELS-ZZIIXHQDSA-N 413.517 6.583 0 40 HKAB biogenic O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(OCc2ccccc2)cc1 2222324 RBQSEPVLMHPZJO-UHFFFAOYSA-N 419.484 6.061 0 40 HKAB Cc1nc(C(=O)Nc2cccc(C(F)(F)F)c2)nn1-c1cc(Cl)ccc1Cl 3111160 RXOLPXOTXLVSMG-UHFFFAOYSA-N 415.202 5.154 0 40 HKAB CCCCOc1ccc(/C=C/C(=O)OCc2nnc(-c3ccccc3)o2)cc1OCC 3280127 LWLAGRSHWBKPKG-WYMLVPIESA-N 422.481 5.071 0 40 HKAB Cc1ccc(Nc2nnc(SCCCC(=O)c3ccc(F)cc3)s2)c(C)c1 3334671 PTDMTIBBDUJYJH-UHFFFAOYSA-N 401.532 5.793 0 40 HKAB CCCCN(Cc1ccccc1)C(=O)/C(=C\c1ccc(Cl)cc1)n1ccccc1=O 4575132 BUSANNZXVLGNQS-PTGBLXJZSA-N 420.940 5.329 0 40 HKAB COc1ccccc1[C@H]1CC(c2cccs2)=NN1c1ccc(Br)cc1 4578202 SGMONTDJPXBEPL-GOSISDBHSA-N 413.340 5.875 0 40 HKAB Cc1cccc(C)c1OCC(=O)Nc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1 4741988 SPAMVAYPLCUIAD-UHFFFAOYSA-N 421.500 6.017 0 40 HKAB CC[C@@](C)(c1nnnn1-c1c(C)cccc1C)N(N=O)c1cccc(C(F)(F)F)c1 4772833 OZRQSAIMGIHEHH-IBGZPJMESA-N 418.423 5.111 0 40 HKAB C[C@@H](NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2)c1ccccc1 4812612 BVWWUJHOFCBHGD-LSBZLQRGSA-N 414.431 5.034 0 40 HKAB O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccccc2F)N1c1ccc(Cl)cc1 4813292 SNGQMLJBBKWJID-JOCHJYFZSA-N 403.844 5.619 0 40 HKAB Cc1cc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)ccc1Br 5024585 FYWNRJYNTHHRSQ-UHFFFAOYSA-N 405.255 5.300 0 40 HKAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1[C@H](C)CCC[C@H]1C 5027092 ULNUUSRBFWWGNO-RBSFLKMASA-N 423.504 5.433 0 40 HKAB CCc1ccc(CCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)o1 5234458 CEBFSTXSFSSUOL-UHFFFAOYSA-N 409.338 5.767 0 40 HKAB CC1=C(c2ccccc2)OC(=O)C(Cl)(Cl)[C@@H]1N(c1ccccc1)c1ccccc1 5393004 XUGWTOHBVYVQNO-JOCHJYFZSA-N 424.327 6.355 0 40 HKAB C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)c1c[nH]c2ccccc12 5866583 FZKRZXSCTJYLSS-OAHLLOKOSA-N 420.538 5.888 0 40 HKAB OC1=C2C(=NC(Nc3nc4ccccc4s3)=N[C@H]2c2ccccc2Cl)CCC1 5904508 DZXQVIXJFVSDCM-IBGZPJMESA-N 408.914 5.910 0 40 HKAB Cc1ccc(COc2c(Cl)cc(CNc3cccc(Cl)c3)cc2Cl)cc1 6426698 MCYXVDUSBHOFDB-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1sc(NC(=O)Cc2csc(-c3ccccc3)n2)nc1-c1ccc(F)cc1 7967273 INZAXEWTEHMGHO-UHFFFAOYSA-N 409.511 5.562 0 40 HKAB Clc1cccc(-c2noc(CSc3nnc(NCc4ccccc4)s3)n2)c1 8944313 BLTZNGJTCCKCIS-UHFFFAOYSA-N 415.931 5.146 0 40 HKAB O=C(/N=c1\scc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1)c1ccccc1 12564024 AEBGQDIYQDZEBG-QYQHSDTDSA-N 424.447 5.966 0 40 HKAB C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)-c1ccccc1C2 12985941 ZQAMSCMJKJSYPG-OAHLLOKOSA-N 420.509 5.096 0 40 HKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 13686708 YZPNZNDBPGUYMZ-LJQANCHMSA-N 400.522 5.376 0 40 HKAB O=C(NCCSc1ccc(Cl)cc1)N1c2ccccc2Sc2ccccc21 13717098 KTYBPBRLZWKXOY-UHFFFAOYSA-N 412.967 6.445 0 40 HKAB Cc1sc2nc(CSc3ccccc3)nc(Oc3ccccc3C(N)=O)c2c1C 14184870 VESWPYWLCYCXHH-UHFFFAOYSA-N 421.547 5.492 0 40 HKAB S=C(Nc1cc(Cl)cc(Cl)c1)N(CCc1ccccc1)Cc1cccs1 15151928 CMHMNOCSWPGTFG-UHFFFAOYSA-N 421.418 6.497 0 40 HKAB Cc1c(C)n(CC(C)C)c2ncn3nc(CSc4nc5ccccc5s4)nc3c12 15842280 AJFCQQGWLMPVNP-UHFFFAOYSA-N 422.583 5.254 0 40 HKAB Cc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c(C)c1 15880715 PHUXYZUPDYDQJL-UHFFFAOYSA-N 414.918 5.239 0 40 HKAB FC(F)(F)c1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 16044164 KHSZEIIPBSVIPD-FXAWDEMLSA-N 400.425 6.009 0 40 HKAB Cc1nc(COc2ccc(C(=O)N[C@@H]3CCSc4ccc(F)cc43)cc2)cs1 16110592 YEDFFPZHITZUJQ-LJQANCHMSA-N 414.527 5.137 0 40 HKAB Cc1ccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)cc1 16841096 RDQQDOIWICUZRP-UHFFFAOYSA-N 403.301 5.143 0 40 HKAB O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Cl)c(Cl)c1 17903735 LDNZVVXKXGAPRM-UHFFFAOYSA-N 410.260 5.963 0 40 HKAB COc1ccc2c(c1)C=C(C(=O)Nc1ncc(Cc3cc(C)cc(C)c3)s1)C=CO2 19809972 ODURCFFMSFOLDQ-UHFFFAOYSA-N 418.518 5.288 0 40 HKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 20043955 FYWIKSZHTMTVFG-JOCHJYFZSA-N 422.912 5.066 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccs2)N2CCOCC2)c1C 20193563 XBIOKJWOWDTWMO-FQEVSTJZSA-N 412.580 5.100 0 40 HKAB CCOc1cc(CNCCc2ccccc2F)ccc1OCc1ccc(Cl)cc1 22074464 IVDXVFCUFSCVOT-UHFFFAOYSA-N 413.920 5.789 0 40 HKAB COc1cc(Br)c(CN[C@@H](C)c2cccc3ccccc23)cc1OC 22787752 XXULJPUIUXWAJJ-AWEZNQCLSA-N 400.316 5.470 0 40 HKAB COc1ccc2cc([C@H](C)C(=O)N(C)Cc3ccccc3Br)ccc2c1 23572553 TYMYWUPYHHLXKC-HNNXBMFYSA-N 412.327 5.373 0 40 HKAB COCCn1c(SCc2sc3ccccc3c2Cl)nnc1-c1ccncc1 28213269 MQLWNRCKKISQEJ-UHFFFAOYSA-N 416.959 5.147 0 40 HKAB CC1=C[C@@H](CNCc2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 30882829 KJWFYERPERHVLL-FIXSFTCYSA-N 416.569 5.319 0 40 HKAB biogenic,in-vitro CCOc1ccc(-c2nc(-c3cccc(NC(=O)c4ccco4)c3)no2)cc1OCC 32610291 JKMBUUFCRFFMJC-UHFFFAOYSA-N 419.437 5.046 0 40 HKAB Cc1c(C(=O)Nc2ccc(F)cc2)sc2ncc(C(=O)Nc3ccc(F)cc3)cc12 32912193 PWJGZFBSLJKPKZ-UHFFFAOYSA-N 423.444 5.388 0 40 HKAB Cc1ccc(-c2noc(Cc3nc(-c4ccc(Br)cc4)cs3)n2)cc1 33298165 FWJOFKWMVMMNRX-UHFFFAOYSA-N 412.312 5.522 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)c3ccco3)cc2c1 35312361 VATCXDVPTJHBFC-UHFFFAOYSA-N 422.887 6.080 0 40 HKAB COc1ccccc1-c1nc2c(-c3ccccc3)cnn2c2c1C[C@H](C(C)(C)C)CC2 35323949 URRDEAVCLAFHQD-LJQANCHMSA-N 411.549 6.223 0 40 HKAB Cc1cc(C(=O)Nc2cc(Cl)ccc2C)c2c(C)nn(Cc3ccccc3)c2n1 36616110 HOFVQCHFIGNQSP-UHFFFAOYSA-N 404.901 5.311 0 40 HKAB COc1c(Br)cc(Br)cc1CNc1ccc(Cl)cc1 37202791 NZXJOPWBVIGUDD-UHFFFAOYSA-N 405.517 5.486 0 40 HKAB COc1ccc(-c2nc(CSc3nc4ccccc4nc3C)cs2)c(OC)c1 40073234 CMKVWLXBERRNBP-UHFFFAOYSA-N 409.536 5.371 0 40 HKAB O=C(O)Cc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1 41127444 LELKSRWGRIUKRE-UHFFFAOYSA-N 408.251 5.551 0 40 HKAB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(CN3CCC(C)CC3)cc1)CC(C)(C)O2 44855275 HKGXSUPLOVCWHO-HSZRJFAPSA-N 406.570 5.259 0 40 HKAB COC(=O)c1c(NC(=O)Cc2csc(-c3ccccc3Cl)n2)sc(C)c1C 57810296 NQFDPFMVHRPTHM-UHFFFAOYSA-N 420.943 5.110 0 40 HKAB Cc1cc(Cc2cnc(NC(=O)c3ccc(Cl)nc3)s2)ccc1Br 59284351 BCKXPBHBGFSXBD-UHFFFAOYSA-N 422.735 5.106 0 40 HKAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1cccs1 68732092 FWWCDXJSMLGRRL-UHFFFAOYSA-N 401.460 5.016 0 40 HKAB COc1ccc([C@H](C)N(C(=O)c2scnc2C)C2CCC(C)CC2)c(OC)c1 72269947 GVIIHOUAPJEARG-WIHSUSGWSA-N 402.560 5.251 0 40 HKAB COc1cccc(-c2cccc([C@H]3CCCN(Cc4ccc(NC(C)=O)cc4)C3)n2)c1 72349930 WDKNMRAOPZTDET-QFIPXVFZSA-N 415.537 5.095 0 40 HKAB Cc1ccc2c(-c3cc4c(CNCCc5ccccc5)cnc(C)c4o3)cc(=O)oc2c1 96114849 FFQHFHWNAROXTP-UHFFFAOYSA-N 424.500 5.550 0 40 HKAB biogenic Cc1ccc(CNC(=O)c2cc3ccc(-c4ccc(F)cc4)cn3c2-c2cocn2)o1 96155499 OBBRGOGSWMHNPV-UHFFFAOYSA-N 415.424 5.232 0 40 HKAB CC(=O)N(c1ccc(C)cc1)c1nc(CN2C[C@H](C)O[C@@H](c3ccccc3)C2)cs1 106927973 CMIZEQACXMKMKC-FDDCHVKYSA-N 421.566 5.098 0 40 HKAB CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118927577 VIBBLWWRIXYIGT-FKJFRENASA-N 402.619 6.194 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223373158 NLVZQRBVDHVLKN-JTSKRJEESA-N 417.977 6.124 0 40 HKAB CCCc1ccc(OCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1 223444281 KTSGPLDZHWGTBF-UHFFFAOYSA-N 412.382 5.374 0 40 HKAB O[C@@H]([C@H](Sc1ccccc1)c1ccc(Sc2ccccc2)cc1)N1CCOCC1 223813177 KMKCVRICODKOIS-RPWUZVMVSA-N 423.603 5.322 0 40 HKAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1cccc(Cl)c1 224492991 ULYGCKXXECBZLV-UHFFFAOYSA-N 421.924 5.516 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1ccc(C)c(C)c1 224618435 AFKWBUMEDXLADI-UHFFFAOYSA-N 419.521 5.220 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(CN2CCCCC2)c1 224683649 LXVPGJQXVDEZHS-JOCHJYFZSA-N 417.018 5.513 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 225156299 VTMQQAALYAHRPM-QFIPXVFZSA-N 401.550 6.115 0 40 HKAB COC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c1C 225505170 DEYMIQUOVCRUBG-QFIPXVFZSA-N 404.535 5.166 0 40 HKAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1Cl 225524872 ZTHDVWPEGMUIHI-HNNXBMFYSA-N 422.352 5.858 0 40 HKAB Cc1ccc(-c2nnsc2C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 225774734 LZARULMPQXXIDF-UHFFFAOYSA-N 401.491 5.345 0 40 HKAB Cc1ccc(-c2nnsc2C(=O)Nc2ccccc2Sc2ccccc2)cc1 225776234 DKZNXZQHYKUIII-UHFFFAOYSA-N 403.532 5.917 0 40 HKAB Cc1cc(Br)ccc1NCc1cccc(OCc2ccc(F)cc2)c1 408613447 UJEMXFGGPUJWOA-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)o1 408635216 YHYLGXWWMIKPEP-ODLFYWEKSA-N 421.430 5.312 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)cc1 408724017 CIMZQWATKFFBEN-UHFFFAOYSA-N 403.485 6.253 0 40 HKAB CCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 408734584 YTCUNJHKUXYDSQ-XMMPIXPASA-N 402.494 5.645 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c1 408739102 XLMQDLNEBQTOIM-RUZDIDTESA-N 414.549 5.215 0 40 HKAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 409085764 ZDMXFPWYGIOOOD-AQTBWJFISA-N 400.931 5.333 0 40 HKAB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)o2)cc1 409210870 HGNQWASNLDRLJQ-HKWRFOASSA-N 421.543 6.018 0 40 HKAB Cc1cccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 409243869 VOVPKMDUWKNUMQ-DEDYPNTBSA-N 408.910 5.676 0 40 HKAB Cc1cccc2sc(NC(=O)[C@@H](C)c3cccc(C(=O)c4ccccc4)c3)nc12 682438 YHSQJKHWIZWNQL-INIZCTEOSA-N 400.503 5.578 0 40 HKAB Cc1sc2c(c1C)CN(C1CC(C)(C)NC(C)(C)C1)CN2C(=O)c1ccccc1 936740 FKTFUFWWZNBJTJ-UHFFFAOYSA-N 411.615 5.094 0 40 HKAB Cc1cc2nc(-c3cc(NC(=O)c4cc5ccccc5o4)ccc3Cl)oc2cc1C 990038 YQVHBQILFHPTBM-UHFFFAOYSA-N 416.864 6.764 0 40 HKAB Cc1ccc(S(=O)(=O)N2C=Cc3ccccc3[C@@H]2c2c[nH]c3ccccc23)c(C)c1 1066437 OLLDLNACYLCABB-RUZDIDTESA-N 414.530 5.549 0 40 HKAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)N4CCC[C@H](C)C4)c23)C1 1377308 OCBAZNYGUBKXCO-KBPBESRZSA-N 415.628 5.044 0 40 HKAB Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2Oc2cccc(C(F)(F)F)c2)cc1 1403469 REWVSEUYDFQNLU-UHFFFAOYSA-N 421.440 5.651 0 40 HKAB COc1c(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)ccc2ccccc12 1409340 JBDNZZCEQTZYTL-UHFFFAOYSA-N 407.473 5.952 0 40 HKAB CC[C@H](C)N1C(=S)SC(C)(C)[C@@H]1N(O)C(=O)Nc1ccc(Cl)c(Cl)c1 1514550 RHGBDRCXORJNQS-ZANVPECISA-N 422.403 5.453 0 40 HKAB C1=C(c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C[C@@H]2CCCC[C@H]2C1 1563598 CPEYWROBUIDLPI-UIOOFZCWSA-N 424.584 7.828 0 40 HKAB CCCCc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2ccccc2)o1 1796376 ZEKTZMQJKOTRJE-UHFFFAOYSA-N 404.919 5.116 0 40 HKAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 1912390 POAQKNWWPAFEHI-FPTDNZKUSA-N 420.475 5.835 0 40 HKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1C 2128715 BDTYITMTNWOCOF-UHFFFAOYSA-N 403.526 5.906 0 40 HKAB O=C1OC(c2cccc3ccccc23)=N/C1=C\c1ccccc1OCc1ccccc1 2307614 ICHZRYGREIKKIZ-ULJHMMPZSA-N 405.453 5.763 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](Sc1ccccc1)c1ccccc1 2310610 VLDGBAOQFIBNGG-LJQANCHMSA-N 421.871 6.831 0 40 HKAB CC/C(=C(/c1ccc(O)cc1)c1ccc(OC(=O)C(C)(C)C)cc1)c1ccccc1 2528511 PPSLXHBJNGQPGG-OCOZRVBESA-N 400.518 6.713 0 40 HKAB in-vitro CC(=O)O[C@@H](C)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 2557259 MCTOSEWKAVRIKS-JMOKZGQWSA-N 400.559 5.369 0 40 HKAB COC(=O)c1ccc(COC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 2635044 XBXXEAOSBGBQCA-UHFFFAOYSA-N 414.379 5.516 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(F)c(F)c1 2680056 ZKJVQVDLNSMBJO-UHFFFAOYSA-N 401.434 5.431 0 40 HKAB CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C(C)(C)C)cc2)cc1 3340266 IIPBOFBDBUNXPW-XMMPIXPASA-N 400.522 6.154 0 40 HKAB CCn1c(SCc2ccccc2)nnc1-c1cc2cc3ccccc3nc2s1 4053811 ZGJLMGQVZDEAOA-UHFFFAOYSA-N 402.548 6.020 0 40 HKAB COc1ccc([C@@]23c4ccccc4[C@@]2(c2ccc(OC)cc2)c2cc(OC)ccc23)cc1 4747912 NQPUVLZZUVMTFE-VMPREFPWSA-N 420.508 5.708 0 40 HKAB Cc1ccccc1-c1nnc(SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)o1 4927254 MVXGKDSTMXHPCA-UHFFFAOYSA-N 406.507 5.876 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NCCC(c1ccccc1)c1ccccc1)[C@@H]2C(=O)O 5457098 DHJHVSUPQKWXTJ-WREZULKGSA-N 417.549 5.018 0 40 HKAB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)cc1 6241533 HHDZJKDZTMYHPS-ICXCKOONSA-N 418.625 5.914 0 40 HKAB COc1cccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)c1OC(C)C 6431767 LNCAJSBTNVGBRH-WUKNDPDISA-N 412.489 5.352 0 40 HKAB COc1cc(CNC(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccccc1Cl 6857347 OBZSQFDXTWTNKT-UHFFFAOYSA-N 424.412 6.885 0 40 HKAB Cc1nc(SCC(=O)N[C@H](C)c2cc3ccccc3o2)n(C2CCCCC2)c1C 7029966 WDWKQRDKUQKWII-MRXNPFEDSA-N 411.571 5.721 0 40 HKAB CCCCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 7261217 RSDWEJJDCHZHIY-UHFFFAOYSA-N 402.365 7.005 0 40 HKAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2[C@H](C)c2ccccc2)CC1=O 7543690 RLLWFBGOYCIVRC-UYAOXDASSA-N 411.505 5.175 0 40 HKAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccco1 7616083 LSVYJPYDNQUKFE-QHCPKHFHSA-N 410.477 5.138 0 40 HKAB O=C1C[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c2cccc3cccc1c23 7777874 VAFZPZJQGXWLMZ-XMMPIXPASA-N 418.471 6.550 0 40 HKAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)C(c1ccccc1)c1ccccc1 8314304 GSTUZKHHKDBGFV-UHFFFAOYSA-N 417.534 5.369 0 40 HKAB Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)n1 9210245 AIIKZPPPTHXSFY-FQEVSTJZSA-N 420.827 5.039 0 40 HKAB CC1(C)N=C(SCC(=O)Nc2ccc(F)c(Cl)c2)C(c2ccc(Cl)cc2)=N1 9599201 MVHTWDAGMWURQN-UHFFFAOYSA-N 424.328 5.442 0 40 HKAB CCOc1ccc(NC(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)cc1 9607399 JPPXHMGZFFVUGA-UHFFFAOYSA-N 421.497 5.580 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 9630209 BQSUYLVZPAXBSR-UHFFFAOYSA-N 414.983 6.073 0 40 HKAB O=C(CCCSc1nnc(-c2ccccc2F)o1)c1ccc(Br)cc1 9949230 GUFCTALNEGOLDZ-UHFFFAOYSA-N 421.291 5.393 0 40 HKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 10357421 KAUQFIFCUNFXEK-UHFFFAOYSA-N 406.570 5.618 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1(c2ccccc2)CCCC1 10372775 XNZQZYZPVQXFTP-UHFFFAOYSA-N 416.487 6.146 0 40 HKAB Cc1cc2oc(=O)cc(-c3oc4ccc(Br)cc4c3C)c2cc1Cl 11869910 CVAGJUGPWLOMJJ-UHFFFAOYSA-N 403.659 6.239 0 40 HKAB biogenic O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(C2SCCCS2)cc1 12622227 MMULYYNDQUXRCR-QGZVFWFLSA-N 405.585 5.661 0 40 HKAB COc1ccc(OC)c(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)c1 13001965 ZHBVGXSILONOBD-UHFFFAOYSA-N 423.494 5.146 0 40 HKAB Cc1nc(N2CCN(c3ccccc3Cl)CC2)c2c3c(sc2n1)C[C@H](C)CC3 13042100 BYNLLYIOPQEUPD-CQSZACIVSA-N 412.990 5.105 0 40 HKAB Clc1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(Cl)cc2Cl)c(Cl)c1 13301923 DXGIORKYIDHREV-IYBDPMFKSA-N 410.080 5.457 0 40 HKAB Cc1c(C(=O)Nc2ccnn2Cc2ccccc2)oc2ccc(Br)cc12 13688436 MUSRTZDBCUBRGG-UHFFFAOYSA-N 410.271 5.001 0 40 HKAB COc1ccc(-c2ccc(CCC(=O)Nc3ccc(Br)cc3)o2)cc1 15867371 AGINEQORSOCFGE-UHFFFAOYSA-N 400.272 5.289 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1C 16282593 VYJLZUMCCHKHLD-UHFFFAOYSA-N 408.910 6.186 0 40 HKAB CC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 16757793 MUUAETUNIIXBPL-OAHLLOKOSA-N 407.926 5.811 0 40 HKAB Cn1cc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1 19290075 AYNBNXOTWFKFOP-LJQANCHMSA-N 415.324 5.156 0 40 HKAB Cc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 20111648 DKIDAPZNKNSMPT-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1cccc(-c2ccc(CO)o2)c1 20150983 KSLZGZURFNXJAD-JLHYYAGUSA-N 419.864 6.004 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1cccc(Cl)c1 20455086 SFCWHGLDRMUAFR-SFHVURJKSA-N 414.423 5.914 0 40 HKAB CCCCOc1c(Cl)cc(C(=O)Nc2ccccc2OC(F)F)cc1Cl 27745487 IBRYHTWIOYVMPT-UHFFFAOYSA-N 404.240 6.026 0 40 HKAB O=C(Nc1cccc2cccnc12)c1ccn(COc2cccc(Cl)c2Cl)n1 27972644 XSOALOBPICPFFD-UHFFFAOYSA-N 413.264 5.027 0 40 HKAB CCN(C(=O)COc1ccccc1)[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27991143 LQGXLJLESWOCEQ-SANMLTNESA-N 414.505 5.193 0 40 HKAB Cc1ccc(NC(=S)C(C(=O)c2ccccc2)C(=S)Nc2ccc(C)cc2)cc1 28294132 YFHHGAKYLJDCEB-UHFFFAOYSA-N 418.587 5.981 0 40 HKAB Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3ccccc3C(F)(F)F)c(N)c12 32117770 LOSXCTYIQWUQHT-UHFFFAOYSA-N 419.350 5.477 0 40 HKAB O=C(CCc1nnc(-c2ccsc2)o1)N(CCc1ccccc1)Cc1ccccc1 32908265 FPNPSWHEYGIKOE-UHFFFAOYSA-N 417.534 5.002 0 40 HKAB COc1ccc(C2=NN3[C@H](c4ccc(Cl)cc4)Oc4c(OC)cccc4[C@H]3C2)cc1 36352154 QEESWAQDXJEJPT-QPPBQGQZSA-N 420.896 5.600 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc3nc(-c4cccc(Cl)c4)oc3c2)cc1C 41086021 CPYSYXOXPQXZMJ-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB CCCCOc1ccc(-c2cc3c(SCc4cc(C)ccc4C)nccn3n2)cc1 45925392 DZQCBPRYVODCJU-UHFFFAOYSA-N 417.578 6.484 0 40 HKAB O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(Cl)c1 57486718 ICSGDDWAOPWKNM-UHFFFAOYSA-N 413.264 5.151 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2C)cc1 67297716 FAVVADZHRQUERK-PNHLSOANSA-N 402.425 5.374 0 40 HKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1Cc1ccccc1)C1CCCC1 72215611 JQIZWDGEGSDSFA-QHCPKHFHSA-N 421.585 6.103 0 40 HKAB CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)C(=O)c3ccc[n+]([O-])c3)cc2F)cc1 72285203 DDOWMEBHMSSDKH-QGZVFWFLSA-N 424.541 5.567 0 40 HKAB CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](C)c3ccc(-n4ccnc4C)cc3)o2)cc1 79045112 DMPCAZGOXBJOMC-MRXNPFEDSA-N 413.477 5.134 0 40 HKAB C#CCOc1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1OCC 96767662 MCMVKBAWEYDXAL-VKAVYKQESA-N 407.491 5.112 0 40 HKAB COc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ncnn32)ccc1OCCC(C)C 102896408 UOONILPCCKSTQX-OAQYLSRUSA-N 410.518 5.019 0 40 HKAB Cc1ccc(N2C(=O)/C(=C\Nc3cccc(C(F)(F)F)c3)c3ccccc3C2=O)cc1 102982885 SNLXORGPTUMPTO-STZFKDTASA-N 422.406 5.654 0 40 HKAB Cc1cccc2c1/C(=C1/c3ccccc3C(=O)c3cccc(C)c31)c1ccccc1C2=O 104062699 JZJAAPULINRLRZ-DQSJHHFOSA-N 412.488 6.400 0 40 HKAB CC(C)C1=C[C@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1c1c(O)ccc(O)c13 104371882 LXMARPMTBJNUMP-GJQOZTMWSA-N 410.554 5.726 0 40 HKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1Cl 108897670 LKAKZVIGMRORFS-UHFFFAOYSA-N 414.716 5.342 0 40 HKAB COC(=O)c1cn(C(=O)CSCc2ccc(Cl)c(Cl)c2)c2ccccc12 222641784 XWYJOIMPVLVEPO-UHFFFAOYSA-N 408.306 5.308 0 40 HKAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1 222923462 RQSGOLDDBBBRKP-QFIPXVFZSA-N 410.558 5.310 0 40 HKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 222954179 LMFSDDWNWZKXEI-QHCPKHFHSA-N 416.521 5.030 0 40 HKAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 223437266 FKEJTLHQAFJPAU-UHFFFAOYSA-N 419.955 5.442 0 40 HKAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(CSc3ccccc3)c2)c1 224326888 UAYUIWDVXGVUSM-UHFFFAOYSA-N 409.507 5.257 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCC2)cc1COc1cc(C)cc(C)c1C 224606659 IIBURLCONRLLLV-UHFFFAOYSA-N 409.570 6.042 0 40 HKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@@H](C)c1ccccc1C 224746761 QTEIJKMOKDHGLP-CEZZIEKDSA-N 404.535 5.013 0 40 HKAB C[C@H]1C[C@H](C)CN(CCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)C1 225503836 XXGWLARKQLWWQF-VXKWHMMOSA-N 420.597 5.494 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c1 225505753 LEEZEOIDYLMSKY-OAQYLSRUSA-N 424.953 5.511 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C 225529835 SDZCMXWLKJWYSW-UHFFFAOYSA-N 420.380 6.931 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2cccc(Cl)c2)c1 408698946 QEXXBWKEVIKFMZ-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB O=C(Nc1cccc2ccccc12)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 408698950 QGAXSAZZGOIMMP-UHFFFAOYSA-N 408.436 5.479 0 40 HKAB O=C1Nc2ccccc2S/C1=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1 409086464 DTVZJOKLLANILT-BKUYFWCQSA-N 403.459 5.049 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1Cl 409109640 IPOBDBZZLPYNRX-UHFFFAOYSA-N 424.730 7.285 0 40 HKAB COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1cccc2ccccc12 409116911 MSHIPDCMDMUFPL-HAHDFKILSA-N 407.469 5.920 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@@H](c2ccccc2)N3)c1 409147286 VMYLHZGQIIGMEZ-GOZGONJHSA-N 422.572 6.852 0 40 HKAB CC(C)C[C@H]1COc2ccccc2CNc2ccccc2CN1C(=O)CCC1CCC1 643582087 LFYHIBKSBAGORE-DEOSSOPVSA-N 420.597 6.015 0 40 HKAB O=C(c1n[nH]c2ccccc12)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 1848353337 QSFKETDPXZQCDQ-FQEVSTJZSA-N 420.900 5.163 0 40 HKAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C(C)=O)cc4)sc3n2)cc1 661584 KWERXXVKLCBLFG-UHFFFAOYSA-N 417.490 5.009 0 40 HKAB CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2Cl)c2ccccc2)C[C@H]1C 854348 YGKFAOJJDSDQMV-MZNJEOGPSA-N 418.924 5.873 0 40 HKAB CCOC(=O)c1c(C)oc2ccc(OCc3cc(=O)oc4cc(C)cc(C)c34)cc12 1447954 GHJLKESBPBTIHP-UHFFFAOYSA-N 406.434 5.220 0 40 HKAB biogenic CCCCN(CCCC)C[C@H](O)c1ccc(OCc2ccccc2)c2ccccc12 1729673 JWDBUSDBDUZDTQ-SANMLTNESA-N 405.582 6.354 0 40 HKAB CCOC(=O)C1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@H]1c1ccc(Cl)cc1 2154073 HIZMAYWNQKGFSZ-GOSISDBHSA-N 414.288 5.404 0 40 HKAB Cc1ccc(CSc2ncnc3c2sc2nc(CC(C)C)c4c(c23)CCC4)cc1 2232916 SUSNLXJXDUUGMP-UHFFFAOYSA-N 419.619 6.527 0 40 HKAB COc1ccc(NP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1Cl 2291746 GQCLMCBJPIWNSR-UHFFFAOYSA-N 417.829 6.643 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)Cc3c(Cl)cccc3Cl)n2)c1 2651594 IVWNEVFLRAYOEB-UHFFFAOYSA-N 423.321 5.315 0 40 HKAB COc1ccc(C)cc1NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 3217100 MSMWRLDBRBWGNS-UHFFFAOYSA-N 411.542 5.394 0 40 HKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1cccc(Cl)c1 3227521 BIHASPQAAIIMRH-UHFFFAOYSA-N 420.317 6.151 0 40 HKAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)Nc1ccc(Cl)cc1 3235485 FLWMYRNDEPAPJE-UHFFFAOYSA-N 406.916 5.951 0 40 HKAB Cc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 3364306 JUISWIHRNGIVRM-UHFFFAOYSA-N 423.582 5.584 0 40 HKAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccc(SC(F)F)cc1 3367759 QXLZAKMVAUFITR-UHFFFAOYSA-N 423.535 5.226 0 40 HKAB CSc1ccccc1C(=O)O[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3420617 SPDXHQAEPCQNCK-SNVBAGLBSA-N 417.836 5.265 0 40 HKAB Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1cccnc1)O2 4176571 WBBMGNIMSNVMAM-TZIWHRDSSA-N 406.283 5.086 0 40 HKAB Cc1cccc(-n2c(SCc3ccc(F)cc3)nnc2-c2ccc(Cl)cc2)c1 4297573 AARHJFPZOBYTRX-UHFFFAOYSA-N 409.917 6.328 0 40 HKAB O=C(CCCCCNC(=O)C(c1ccccc1)c1ccccc1)OCc1ccccc1 4534952 OCMCDAMQAAPRLT-UHFFFAOYSA-N 415.533 5.239 0 40 HKAB CC(C)COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 4599541 KEPAQFXQOAKUFI-AWEZNQCLSA-N 421.324 5.020 0 40 HKAB CCOc1cccc2c1O[C@@H](c1ccc(OC)cc1)N1N=C(c3cccs3)C[C@H]21 4715715 BQCWCNGIGXXZKR-XXBNENTESA-N 406.507 5.398 0 40 HKAB CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 4834752 IZCHBQUTGJMSCP-RUZDIDTESA-N 409.533 5.319 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(-c2ccco2)on1 4881119 YZYJASVEEPQGFQ-UHFFFAOYSA-N 408.435 5.092 0 40 HKAB O=C(CSc1nnc(-c2ccoc2)c(-c2ccoc2)n1)c1ccc(Cl)s1 4993562 FNIXYYIIAWQULE-UHFFFAOYSA-N 403.872 5.082 0 40 HKAB Cc1ccnc(-n2c(SCc3c(F)cccc3Cl)nc3ccccc3c2=O)c1 5923672 DIMNNIZBFVCOMY-UHFFFAOYSA-N 411.889 5.174 0 40 HKAB O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1 5936957 MMPGPRWJOUXCEJ-UHFFFAOYSA-N 417.509 5.065 0 40 HKAB O=C(OCc1cccc2ccccc12)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 6082982 IGIPQSYPBXUYMC-RTWAWAEBSA-N 401.531 6.467 0 40 HKAB C[C@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)NC1CCCC1 6364812 RFMTXLRJQXYEER-LBPRGKRZSA-N 401.532 5.037 0 40 HKAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3ccc(C)c(C)c3)n12 6865519 YYQPOYCRZIWOOV-UHFFFAOYSA-N 404.539 5.155 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3oc4c(F)cccc4c3C)n2)c(OC)c1 6881664 UZVQRYKSHLWNDS-UHFFFAOYSA-N 412.442 5.273 0 40 HKAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)o1 7194716 LWLFZNRQCFSODG-HNNXBMFYSA-N 405.479 5.424 0 40 HKAB O=C(CCSc1ccc(Cl)cc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8229880 KZJSRZZCLMDHAQ-LJQANCHMSA-N 417.958 5.347 0 40 HKAB COCc1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1-c1ccc(Cl)cc1 9261051 YPTACAHBSFZVRD-UHFFFAOYSA-N 407.779 5.475 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(Cl)cc3)c3ccccc3C)cc2c1 9428637 QCOILTUSNLXLGI-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cnc3sc4cc(Cl)ccc4n3c2=O)cc1 9615200 DSYODJVHQNNOFR-UHFFFAOYSA-N 411.914 5.112 0 40 HKAB O=C(c1ccco1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 12350071 SBJLBYZBOIPTTD-GDLYEYDXSA-N 418.443 5.995 0 40 HKAB COc1ccc2c(C)cc(Oc3ccc(Br)cc3Br)nc2c1 12537878 YVUYIVQNSCUPSH-UHFFFAOYSA-N 423.104 5.869 0 40 HKAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)[C@H](C)c1ccccc1 12754249 KTMQJIXNZGRMKJ-OAHLLOKOSA-N 400.931 5.517 0 40 HKAB O=C(COc1ccc(Cl)cc1Br)Nc1ccc(-c2nccs2)cc1 13002370 GXNQEGADMSQTOV-UHFFFAOYSA-N 423.719 5.244 0 40 HKAB CCCn1c(/C=C(\OC(=O)c2ccc(C)cc2)c2ccc(C)cc2)nc2ccccc21 13590337 GEBLJRRSHBOSIJ-BWAHOGKJSA-N 410.517 6.418 0 40 HKAB CC(C)n1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2ccccc2o1 20171750 TXTNTFGEYKOSPZ-UHFFFAOYSA-N 410.474 5.142 0 40 HKAB Cc1cccc(C(=O)N[C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)c1 20407977 AVXPVQVHIBRBSY-HXUWFJFHSA-N 403.869 5.218 0 40 HKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c1 20611147 DMQWJACPLRPIDS-MRXNPFEDSA-N 418.472 5.298 0 40 HKAB O=C(Nc1ccnn1Cc1ccccc1Cl)c1csc(-c2ccsc2)n1 21599104 NJSIYBYGZAJSPN-UHFFFAOYSA-N 400.916 5.022 0 40 HKAB O=C(CSCc1ccc(F)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 22515341 NHTVXZYERAPGFA-UHFFFAOYSA-N 401.890 6.143 0 40 HKAB Cc1ccc(C(C)C)c(OCc2nnc3n2N=C(c2ccc(C(C)C)cc2)CS3)c1 27298996 PYZUQHVRDPCHAM-UHFFFAOYSA-N 420.582 5.770 0 40 HKAB O=C(c1ccccc1Br)N(Cc1ccccc1Cl)c1ccccn1 28293500 JIYONBOAMYTEDR-UHFFFAOYSA-N 401.691 5.345 0 40 HKAB O=C(Nc1ccccc1Br)c1ccc(-c2cc(Cl)ccc2Cl)o1 28355692 LOMBEAYQUXCQDJ-UHFFFAOYSA-N 411.082 6.268 0 40 HKAB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CCCC[C@@H]12 33429008 SMLTWUCDEBEXBR-IRLDBZIGSA-N 414.336 5.318 0 40 HKAB CCN(C(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1)c1ccccc1 36616807 QNEALMGRRQISIH-UHFFFAOYSA-N 410.521 5.332 0 40 HKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)C1 38857102 DXZXTQSSTYTNTC-AWEZNQCLSA-N 410.867 5.843 0 40 HKAB CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1 40098580 GVMSHBSBKYTCRY-SECBINFHSA-N 400.693 5.488 0 40 HKAB COc1cc(CN(C(=O)Nc2c(C)cccc2C(C)C)C2CC2)ccc1OC(F)F 40119942 MRFCDOQYNRTYCL-UHFFFAOYSA-N 418.484 5.925 0 40 HKAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 44841454 ZSBARKLKVXCXDC-SFHVURJKSA-N 416.345 5.340 0 40 HKAB C/C=C(/CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 64219058 OSELKOCHBMDKEJ-OZVGNUEJSA-N 412.702 7.945 0 40 HKAB biogenic Cc1cccc(-c2csc(C(=O)Nc3ccc(C(C)C)cc3)c2-n2cccc2)c1 64872261 SKOOCGLKIGCOIX-UHFFFAOYSA-N 400.547 6.890 0 40 HKAB CN(C)c1ccc(-n2c(SCc3cc(F)ccc3F)nc3ccccc3c2=O)cc1 67259087 QNOOSUFMKZUFPY-UHFFFAOYSA-N 423.488 5.022 0 40 HKAB CCC(CC)(CC)NCC(=O)Nc1c(Br)cc(C)cc1Br 78969944 QYHHJFVISTVKFX-UHFFFAOYSA-N 420.189 5.017 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1Cl 95482087 VZEZBRHGWWMGRJ-UHFFFAOYSA-N 408.910 5.943 0 40 HKAB O=C(OCc1ccccc1)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CCC2 97642526 XEPUFDVGWBFWFK-FXBPSFAMSA-N 421.496 6.174 0 40 HKAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 106699332 QBQHAHMPJOOJBZ-IUXPMGMMSA-N 421.305 5.188 0 40 HKAB COc1ccc(-c2nnsc2C(=O)OC2CCCCCCCCCCC2)cc1 223836493 QMJYIJNUJDAROW-UHFFFAOYSA-N 402.560 6.044 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccccc1 224363344 IBEASEFFGWTIEJ-UHFFFAOYSA-N 415.411 5.935 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1cccc(CN2CCCCC2)c1 224683098 MIJNBAALMOYMFL-RUZDIDTESA-N 416.565 5.300 0 40 HKAB CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 224861281 KNADKWREFKYETK-UXHICEINSA-N 412.946 5.000 0 40 HKAB O=C(NCc1ccc(Cl)cc1Cl)c1ccccc1-c1ncc(-c2ccccc2)o1 224892904 BQGCFLSDVIYHEL-UHFFFAOYSA-N 423.299 6.245 0 40 HKAB CC1(C)C[C@@H](NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2O1 225576694 UIDJLCQUUXTDKH-OAHLLOKOSA-N 414.880 5.948 0 40 HKAB O=C(Cc1cccc(Br)c1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 225614640 SHKJMPIMLNFIQP-UHFFFAOYSA-N 424.382 6.098 0 40 HKAB COc1ccc2c(c1)CCC[C@@H]1O[C@@H]3c4cc(CC(=O)O)ccc4OC(C)(C)[C@H]3C[C@H]21 257225054 FEPGKIWWOZPVSB-TVPUMLRDSA-N 422.521 5.060 0 40 HKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2cccc(F)c2F)C1 257247341 IYOGMCFRMXUEPF-JQVVWYNYSA-N 423.887 5.122 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(C)c3)n2)c(C)c1 408694307 ISAFAVBNHKGZPW-UHFFFAOYSA-N 414.484 5.559 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(F)cc2)c1 408696823 CHBBDCLCLPXOGG-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 408704058 JGALTUFRFIZJQC-UHFFFAOYSA-N 422.550 5.199 0 40 HKAB Cc1cccc(-n2nc(C(=O)NC3CCCCC3)cc2-c2cccc3ccccc23)c1 408727399 WJPWMLPGJOYSBL-UHFFFAOYSA-N 409.533 6.063 0 40 HKAB CCc1ccccc1NCc1ccc(OCc2ccc(C)cc2)c(Br)c1 409111102 AUNNGQNIAJMANV-UHFFFAOYSA-N 410.355 6.511 0 40 HKAB Cc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2F)c1 409116774 LRGSKJFLCMBSJU-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB Cc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(=O)c2ccccc2)cc1 1359466 QIHODPUQFHKZCB-UHFFFAOYSA-N 410.517 5.296 0 40 HKAB O=C(CC1CCCCC1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1 1366261 VIXWJVCPDYSFFA-UHFFFAOYSA-N 409.555 5.018 0 40 HKAB c1ccc(-c2nc3sc4c(NC5CCCCC5)ncnc4c3c3c2CCC3)cc1 1833300 ORQCOIVDYAVINB-UHFFFAOYSA-N 400.551 6.140 0 40 HKAB CN(C)c1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Br)cc23)cc1 1944664 RYTHVMWEPAXTMJ-NJNXFGOHSA-N 419.322 6.161 0 40 HKAB O=C1OC(c2ccccc2F)=N/C1=C/c1cccc(OCc2ccccc2Cl)c1 2084015 BBAFMWPUMOTDEF-FYJGNVAPSA-N 407.828 5.403 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(OC(C)C)cc1 2088222 AXWKTPBGPFNXIZ-UHFFFAOYSA-N 423.534 5.940 0 40 HKAB COc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c23)cc1 2264146 GLXILLPVOZMBSP-UHFFFAOYSA-N 421.547 5.406 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(CCc1ccccc1)C3=O 2703594 SXZHPZARURCANV-HSZRJFAPSA-N 413.448 5.028 0 40 HKAB COc1ccc(NP(=O)(Oc2ccccc2Cl)Oc2ccccc2Cl)cc1 3123416 IXPGKBONUKIGNA-UHFFFAOYSA-N 424.220 6.680 0 40 HKAB Cc1cccc(NP(=O)(Oc2ccccc2Cl)Oc2ccccc2Cl)c1 3123417 NMYHFQFOTZSPJI-UHFFFAOYSA-N 408.221 6.980 0 40 HKAB O=C(NCCC(c1ccccc1)c1ccccc1)c1sc2ccccc2c1Cl 3166090 KZMVJUFBZHKFJA-UHFFFAOYSA-N 405.950 6.507 0 40 HKAB O=C(OCc1cccc2ccccc12)c1cccnc1Nc1cccc(C(F)(F)F)c1 3256023 QCOJYLHJQHZGMB-UHFFFAOYSA-N 422.406 6.354 0 40 HKAB CNc1cc(CSc2ccc(Cl)cc2)nc(SCc2ccc(F)cc2)n1 4013236 QUGIPUSDWFCMAB-UHFFFAOYSA-N 405.951 5.895 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(Br)cc3)o2)cc1 4060612 TWCZKYHMXXEMID-UHFFFAOYSA-N 403.345 6.089 0 40 HKAB COc1ccc(-c2cnc(NC(=O)c3sc4ccccc4c3Cl)s2)cc1 4076447 ADBPUSBKTAQARW-UHFFFAOYSA-N 400.912 5.939 0 40 HKAB O=C(Nc1cccc(Br)c1)C1[C@H]2CC[C@H]3[C@@H](CC[C@H]12)C3(Cl)Cl 4380150 YLNAXLXLRCUAOJ-JZAZDWQXSA-N 403.147 5.244 0 40 HKAB Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 4553713 FQOKXFXIYVJSLC-MUUNZHRXSA-N 418.496 5.412 0 40 HKAB CC1(C)SCCCCCCCSC(C)(C)SCCCCCCCS1 4721557 BNTYLUPBYMPAHN-UHFFFAOYSA-N 408.808 8.306 0 40 HKAB CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(C(C)(C)C)cc1 4958695 GXRSUDKHTJXWCR-UHFFFAOYSA-N 411.933 5.738 0 40 HKAB CC(C)Cc1ccc([C@@H](C)NC(=O)CSc2nnc(-c3ccccc3F)o2)cc1 4987622 JPLDOZNYQGWHDQ-OAHLLOKOSA-N 413.518 5.044 0 40 HKAB COc1ccccc1-c1cncnc1-c1ccc(OCc2ccccc2F)cc1O 5561814 IHNRCQANXLCPRO-UHFFFAOYSA-N 402.425 5.243 0 40 HKAB biogenic CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nc2ccccc2n1CCc1ccccc1 5827889 QXMTYPJEYFVPQE-PZJWPPBQSA-N 421.610 5.551 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc3cc(C)ccc3[nH]2)c2ccccc2)c1 6292051 ZIZXPQKTDLNOPH-QFIPXVFZSA-N 415.518 5.546 0 40 HKAB CN(Cc1ccccc1)C(=O)CSc1nc2ccccc2n1CCc1ccccc1 6564866 UTKLGXQMZCMNDA-UHFFFAOYSA-N 415.562 5.030 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)CSCc2nc(-c3ccc(Cl)cc3)no2)cc1 6585961 NUCBAQBPSSRVDF-AWEZNQCLSA-N 415.946 5.775 0 40 HKAB Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](C)c2cccc3ccccc23)c(C)c1 7098158 XMQCJSXTKXIUEQ-SFHVURJKSA-N 416.550 5.007 0 40 HKAB Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)cc2c1C 7735429 XFNCATKSIORVRT-GFCCVEGCSA-N 405.281 5.276 0 40 HKAB Cc1ccc(NC(=O)c2oc3ccccc3c2CSc2nc(C)cs2)c(C)c1 8039481 YHWMGCJPNIJGJO-UHFFFAOYSA-N 408.548 6.359 0 40 HKAB Cc1ccc(C)c(OCC(=O)Nc2ccc(NC(=O)c3cccs3)c(Cl)c2)c1 8189433 YMXTUHDSPMMWLF-UHFFFAOYSA-N 414.914 5.288 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1C(=O)O 8215087 AGAVRXWSNHHUCB-UHFFFAOYSA-N 404.702 5.217 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(Cl)cc2)c1 8476715 XGWXMNZBKWEGDZ-UHFFFAOYSA-N 408.933 5.267 0 40 HKAB C[C@H](NCc1cc(Cl)ccc1OCc1ccccc1)C12CC3CC(CC(C3)C1)C2 8497298 XTGKLAHHCRDMSP-FJDLLSKQSA-N 410.001 6.614 0 40 HKAB C[C@]12Cc3cnc(-c4ccccc4)nc3C[C@@H]1CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@H]12 8582167 PHBHRCDYKYBQFC-CPGVAIEYSA-N 416.609 5.852 0 40 HKAB in-vitro CC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1 8793902 BXPRKZFVHMKGTL-UHFFFAOYSA-N 418.316 5.007 0 40 HKAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)s1 9741469 MHKHVOVSFMOLRV-NRFANRHFSA-N 414.933 5.721 0 40 HKAB O=C(Cc1ccc(Cl)s1)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 10060881 HBLKWLJQCFISQN-UHFFFAOYSA-N 400.912 5.565 0 40 HKAB Cc1ccc([C@@H]2CC(=O)c3c(C)nc(Nc4cccc(C(F)(F)F)c4)nc3C2)cc1 10156901 ZXJFNYUNRFCIEB-INIZCTEOSA-N 411.427 5.769 0 40 HKAB Nc1c(C(=O)Nc2ccccc2)c2ccccn2c1C(=O)c1ccc(Cl)c(Cl)c1 12341987 WPOHKWFPTWGFKM-UHFFFAOYSA-N 424.287 5.312 0 40 HKAB Clc1ccc(COc2cccc(CNCc3ccc4c(c3)OCO4)c2)c(Cl)c1 12428852 NIDBDVJQTVQFDB-UHFFFAOYSA-N 416.304 5.591 0 40 HKAB O=C(O)C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(OC2CCCC2)cc1 12429071 FRNVSCZIFPPKFD-LJQANCHMSA-N 422.308 5.261 0 40 HKAB C[C@H]1CC2=C(Nc3nnnn3[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 12529307 CVSAOCVTLYTXON-NQQFHWGISA-N 424.335 5.762 0 40 HKAB CCCc1ccc(-c2csc(NC(=O)CCc3nnc(-c4ccsc4)o3)n2)cc1 12787147 ADUBJOLWCXFIHS-UHFFFAOYSA-N 424.551 5.445 0 40 HKAB Cc1ccc(-c2c3c(nc4sc(C(=O)Nc5ccccc5F)c(N)c24)CCC3)cc1 13282013 ODAQCQXUSDEQRH-UHFFFAOYSA-N 417.509 5.734 0 40 HKAB Cc1ccc([C@@H](CNC(=O)C(c2ccccc2)c2ccccc2)N2CCC(C)CC2)o1 15860328 YUVCOYKDCOUTIC-XMMPIXPASA-N 416.565 5.309 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2sc3ccccc3c2Cl)N2CCCCC2)o1 15860405 PNENYKVHAJMLDV-MRXNPFEDSA-N 402.947 5.413 0 40 HKAB CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCCN1Cc1ccccc1Cl)c1ccccn1 19081758 JIRXMUSMNLRCSB-KNQAVFIVSA-N 413.993 5.383 0 40 HKAB CC(C)n1c(CN(CCCn2ccnc2)Cc2ccccc2F)nc2ccccc21 19454724 RCTQXNIIVTZUDW-UHFFFAOYSA-N 405.521 5.045 0 40 HKAB CCN(C(=O)[C@@H](C)c1ccccc1)[C@H]1CCO[C@@H](c2ccc(-c3cncnc3)cc2)C1 19712020 DZHSTIYKCLNBBY-PNTFMKQHSA-N 415.537 5.016 0 40 HKAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20108714 JMIVBLJQHNROAD-MRXNPFEDSA-N 407.897 5.539 0 40 HKAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(-c2ccc(Br)cc2)o1 20139808 SMMXUMKZJSQRCV-UHFFFAOYSA-N 420.646 5.313 0 40 HKAB O=C(NC[C@@H](c1ccc(Br)cc1)c1c[nH]c2ccccc12)c1ccccc1 27742036 RFIZKYVMXJASDU-FQEVSTJZSA-N 419.322 5.492 0 40 HKAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 33600471 VUSJLAIRIGUZOY-FQEVSTJZSA-N 412.411 5.205 0 40 HKAB CC(=O)c1c(C)cc(C)c(CSc2nnc(N3CCC(C)CC3)n2C2CC2)c1C 36649068 NDVLUFKVCVMJRC-UHFFFAOYSA-N 412.603 5.269 0 40 HKAB COc1ccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3cccnc3)s2)cc1 37868888 WOEFNIXTOKOZJE-UHFFFAOYSA-N 402.479 5.210 0 40 HKAB COc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)c1 67259571 NJQVDIHINBHWAH-UHFFFAOYSA-N 422.937 5.399 0 40 HKAB CC[C@@H](C(=O)N1CCC(NC(=O)c2ccccc2SC(C)C)CC1)c1ccccc1 72056882 QVJYRKVXWHCCOV-OAQYLSRUSA-N 424.610 5.102 0 40 HKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 72215240 WJXOZKTYYRFNDK-RXVVDRJESA-N 423.557 5.599 0 40 HKAB O=C(CCNc1ccc(-c2nc3ccccc3s2)cc1)c1ccc2c(c1)OCO2 72408083 QKWAIJLERSJVQH-UHFFFAOYSA-N 402.475 5.377 0 40 HKAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nc(C2CCCCC2)cs1 95883179 SWLNWBZNEGVJPX-OAHLLOKOSA-N 413.587 5.245 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3[C@H]2C(=O)c2cc(-c3ccccc3)ccc2O)cc1 100684372 MHSNHHLSZYGSRD-SANMLTNESA-N 419.480 5.952 0 40 HKAB CCCN(CC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 100744249 RJLPRFHBCYYQNW-AZGAKELHSA-N 409.614 6.286 0 40 HKAB biogenic Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(Cl)c2)c1 102767322 QVCFFHYBDOKSJT-UPVQGACJSA-N 423.343 6.853 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OC(C)C 214588812 VTIVNLHHYIQPKL-FYJGNVAPSA-N 411.523 5.417 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1cccc(OC(C)C)c1 219346848 YYPAZFGNCMSEAQ-VWLOTQADSA-N 405.538 5.533 0 40 HKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 222497121 IELKXDZFLOQHLD-VWLOTQADSA-N 422.613 5.383 0 40 HKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccco1)c1ccccc1 223414673 OZKIWQMMYDEADE-QHCPKHFHSA-N 424.928 5.119 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(OCCCN(CC)CC)cc2)CCC[C@@H](C)C1 225663671 DCMNOCLNCQNAIT-HYBUGGRVSA-N 404.595 5.111 0 40 HKAB COC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c1 225768748 SVLUMPDOHMKRHF-QFIPXVFZSA-N 404.535 5.166 0 40 HKAB CCOC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)c1 225768801 CUUGEBDNDYALJH-HSZRJFAPSA-N 418.562 5.556 0 40 HKAB CC[C@H](C)CN1CCC(COc2ccccc2)(CC(=O)N(C)Cc2ccccc2)CC1 257232753 GMGGHJVAUPJZHN-QHCPKHFHSA-N 422.613 5.242 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2cccc(Cl)c2)c1 408699143 RLVFSGDZRVAFOG-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCOc1ccc(NCc2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1 409112466 GJVMDQWUOXLGEJ-UHFFFAOYSA-N 413.517 6.438 0 40 HKAB CCCOc1c(I)cc(CNc2ccc(C)cc2)cc1OC 409119055 VPNWQVXBDVIUGH-UHFFFAOYSA-N 411.283 5.009 0 40 HKAB CCCCOc1ccc2ccccc2c1/C=C1/SC(=O)N(c2ccccc2)C1=O 409355030 BQFJWQJGUKXQJE-CJLVFECKSA-N 403.503 6.260 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)[C@H](C=Cc1ccccc1)C(=O)c1ccccc1 2049241052 SQYUSQQNCYCPRO-HVHOJJEHSA-N 404.550 6.203 0 40 HKAB COc1ccc(N(c2ccc(OC)cc2)c2ccc(-c3ccc(C=O)s3)cc2)cc1 2297735851 DNRVOYFKFSVBHG-UHFFFAOYSA-N 415.514 6.715 0 40 HKAB CCc1sc(-c2cc3ccc(OC(C)=O)cc3oc2=O)nc1-c1ccc(C)cc1 869186 DAEVMAGRAVXLJW-UHFFFAOYSA-N 405.475 5.380 0 40 HKAB S=C(c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)N1CCCCC1 1100014 JIPCEPASVAYAHH-UHFFFAOYSA-N 403.378 6.158 0 40 HKAB CCCCN(CC)c1ncnc2c1sc1nc(CCC)c3c(c12)CC(C)(C)OC3 1781485 XTCLFZNMENIRGS-UHFFFAOYSA-N 412.603 5.670 0 40 HKAB CCCCOc1ccc(-c2nc(=S)c3c4c(sc3[nH]2)COC(C)(C)C4)cc1 1803817 WBJSOUGBMCELGI-UHFFFAOYSA-N 400.569 6.051 0 40 HKAB CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2c1 2079824 LOIPTRNRXHZPMC-UHFFFAOYSA-N 421.327 7.023 0 40 HKAB CC(C)Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)c3ccccc3n2)cc1 2105329 MECRUBAGIPAKPC-HXUWFJFHSA-N 408.545 6.591 0 40 HKAB COc1ccc2oc(=O)c(-c3nc(-c4ccc(Br)cc4)cs3)cc2c1 2197212 GBHONPDKXDYRRP-UHFFFAOYSA-N 414.280 5.355 0 40 HKAB Cc1nn2c(SCc3ccccc3Cl)cc(C(C)(C)C)nc2c1-c1ccccc1 2201483 FSBFAZUAZCECNV-UHFFFAOYSA-N 421.997 6.948 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c1 2320166 DMSXATNIJAVYMG-UHFFFAOYSA-N 416.477 5.888 0 40 HKAB Cc1ccc(Nc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cs2)cc1 2640416 MSMBMWVDKOLXQR-UHFFFAOYSA-N 424.507 5.266 0 40 HKAB Cc1ccc(Cl)c(NC(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)c1 3166312 RKNAUIKGIBQPJZ-INIZCTEOSA-N 407.175 5.111 0 40 HKAB CC(C)(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 3364613 OKSJPILHDREZGI-UHFFFAOYSA-N 404.539 5.571 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](c1ccccc1)N1CCCc2ccccc21 3406573 GVXMLXHXWGSORA-JOCHJYFZSA-N 411.332 6.126 0 40 HKAB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCc1ccccc1 4061528 HHSXYDOROIURIP-GBQMVUELSA-N 420.593 6.063 0 40 HKAB biogenic,in-vitro O=C(O)c1c(Oc2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc2ccccc12 4091465 ZQTXOTVBHZZUPO-UHFFFAOYSA-N 410.256 6.699 0 40 HKAB CC[C@H](C)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 4109779 LVLCCKLNPJDWFU-HNNXBMFYSA-N 406.448 5.735 0 40 HKAB COc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)N(C(=O)CC(C)C)c2ncnn21 4816976 VHQQJXUEUPVNSW-VQTJNVASSA-N 424.932 5.054 0 40 HKAB CCc1cc2cc(C)c(C)cc2nc1SCC(=O)Nc1cc(OC)ccc1OC 4849434 LOFMSRWEBWOQCB-UHFFFAOYSA-N 410.539 5.162 0 40 HKAB Cc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3ccccc3C)c2c1 4920600 PBMSWCIWCFEPGA-UHFFFAOYSA-N 417.578 6.128 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1 5312464 ZSFVZIRMIITQGC-AWEZNQCLSA-N 415.946 5.090 0 40 HKAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1Br 5676000 WJQGUHZJEQRLNV-UHFFFAOYSA-N 408.601 5.382 0 40 HKAB CCCCC1=N[C@@H]2Sc3c(ncnc3N(CCCC)CCCC)[C@@H]2C2=C1CCC2 6309896 FQJXDRVNTPSMQQ-GBXCKJPGSA-N 412.647 6.524 0 40 HKAB O=C1/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)Sc2ccccc21 6423350 PXGDYMLUCDVADH-YDZHTSKRSA-N 412.470 5.927 0 40 HKAB Cc1ccc2oc(-c3cccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)nc2c1 6504126 MOBFGTQIUGAFQA-UHFFFAOYSA-N 420.896 6.253 0 40 HKAB Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 6541469 SXGUYINVTNEICO-UHFFFAOYSA-N 415.902 5.093 0 40 HKAB COc1ccc(Nc2ccc3c(=O)c(-c4ccc(OC)c(OC)c4)c(C)oc3c2)cc1 6662035 GSJQYSBVMNGPQH-UHFFFAOYSA-N 417.461 5.538 0 40 HKAB CCN1C(=O)S[C@H](Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)C1=O 6952895 JCBWLGWWCAVWHL-QGZVFWFLSA-N 410.322 5.199 0 40 HKAB CCCCn1nnnc1NCc1c(OCc2ccccc2Cl)ccc2ccccc12 7262109 JUVRMNCEVXLEBS-UHFFFAOYSA-N 421.932 5.471 0 40 HKAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cc(Br)ccc1Cl 7447586 IOZXUCLVFLTPFN-UHFFFAOYSA-N 421.766 5.018 0 40 HKAB CCc1nnc(S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)O)o1 7508378 XVDCCDXGXNGJIE-LCYFTJDESA-N 408.888 5.247 0 40 HKAB CCOc1ccc(Oc2ccccc2NC(=O)c2ccc(OC)c(OC)c2OC)cc1 7814013 STPGFUDIJBEAFH-UHFFFAOYSA-N 423.465 5.156 0 40 HKAB CCOc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 8344909 OJVJGEJMPWUNMP-UHFFFAOYSA-N 403.507 5.311 0 40 HKAB Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CCNC(=S)Nc2ccc(Cl)cc2)C1(C)C 8766693 ZONYZKLNGMMSCG-WIYYLYMNSA-N 412.002 6.246 0 40 HKAB CSc1nnc2c(n1)O[C@H](c1ccc(-c3cccc(Cl)c3)o1)Nc1ccccc1-2 8781237 YSEYWDKAOMACHK-LJQANCHMSA-N 422.897 5.677 0 40 HKAB O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)N1CCCCCC1 8988978 QQNCBPXZPVOSFK-UHFFFAOYSA-N 418.994 5.208 0 40 HKAB CCOc1ccc(CNC(=O)c2ccc3noc(-c4ccc(C)cc4)c3c2)cc1OC 9607568 KMXJLWYQACPWFF-UHFFFAOYSA-N 416.477 5.141 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1 12137125 RGUWUCMEGYULQP-UHFFFAOYSA-N 408.542 5.232 0 40 HKAB COc1ccc(N2C(=O)C(Cl)=C(NC3CCCCCCCCCCC3)C2=O)cc1 12374242 DFSXXDYUJWXGTH-UHFFFAOYSA-N 418.965 5.282 0 40 HKAB c1ccc(-c2ccc(-c3cs/c(=N\c4ccccn4)n3-c3ccccc3)cc2)cc1 12376978 NVJLBYAGOOWSPZ-SGEDCAFJSA-N 405.526 6.500 0 40 HKAB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Cl)c1OCc1cccc(F)c1 12469981 PYHWFQGVTMJSSN-ODLFYWEKSA-N 423.871 5.950 0 40 HKAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccc2c(c1)nc(C)n2-c1ccccc1 12548299 CHKRZSGMCDDKCN-UHFFFAOYSA-N 421.932 5.401 0 40 HKAB Cc1ccc2occ([C@H]3Oc4ccccc4[C@H]4CC(c5ccccc5)=NN43)c(=O)c2c1 13785989 AMHICPPKRKKGNC-ATIYNZHBSA-N 408.457 5.344 0 40 HKAB FC(F)(F)c1cccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)c1 13812649 JUXJPQOOMWDYMI-UHFFFAOYSA-N 402.441 6.093 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)c(OC)c1 16215483 DJULOMHDUNYMEP-UHFFFAOYSA-N 424.909 5.886 0 40 HKAB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c5ccccc45)cc3n2)cc1 16692092 YBHGKYJOTFHPMW-UHFFFAOYSA-N 422.488 5.533 0 40 HKAB Cc1cccc(-c2nn(-c3ccc(C)c(Cl)c3)c(-c3cccc(C)c3)c2Cl)c1 17087635 DXRQKPKNVFAOTK-UHFFFAOYSA-N 407.344 7.438 0 40 HKAB C[C@H]1CCCCN1c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 17092531 QTBNDMQTUOJVJT-ZWFBASDOSA-N 420.940 6.631 0 40 HKAB Cc1cc(-c2ccsc2)nc(C2CCN(C(=O)c3cccc4cccnc34)CC2)n1 19118605 VWAJRFQYINZQDF-UHFFFAOYSA-N 414.534 5.082 0 40 HKAB Clc1ccc(N2C(c3ccccc3)=N[C@H](N3CCCCC3)[C@H]2N2CCCCC2)cc1 19319111 RCNKSSYHYNGAHW-RPBOFIJWSA-N 423.004 5.231 0 40 HKAB Cc1ccccc1NC(=O)N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 20418853 SUWYEUYOVLZZGO-HXUWFJFHSA-N 418.884 5.610 0 40 HKAB C[C@@H]1CCCN(c2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3ccc(F)cc23)C1 22573642 BWJHCPRODMDMQA-CQSZACIVSA-N 418.921 5.096 0 40 HKAB Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 31393603 LADFDVSPZDEMQH-INIZCTEOSA-N 409.536 5.227 0 40 HKAB Fc1ccc(-c2nnc(SCc3ccccc3Cl)n2C[C@@H]2CCCO2)cc1 32604420 SZGKCSHVLRPCFU-KRWDZBQOSA-N 403.910 5.209 0 40 HKAB O=C(COc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)Nc1ccc(Cl)cc1 33327327 JSNDQRTUQIFNJF-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB Cc1ccc(-c2noc(-c3c(NC(=O)c4ccccc4Cl)sc(C)c3C)n2)cc1 35671326 QCORTIVLWSZWCX-UHFFFAOYSA-N 423.925 6.296 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(O)=Nc2c(-c3ccc(F)cc3)cnn21 35685039 VVMDZJZIYRGIHT-HNNXBMFYSA-N 419.243 5.168 0 40 HKAB S=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 58268828 HEBBYHLJIZJAJC-HSZRJFAPSA-N 409.518 5.178 0 40 HKAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccccc2C)nc1 67295140 QTCQAUNFQWKUBC-RWEWTDSWSA-N 403.869 5.583 0 40 HKAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72214986 ITGYNCJXAVRZHJ-OAQYLSRUSA-N 423.557 5.601 0 40 HKAB Cc1cc(C)nc(SCc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)o2)n1 79474267 GYVYKBZBMUYNHB-UHFFFAOYSA-N 408.310 5.538 0 40 HKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCC56CC7CC(CC(C7)C5)C6)(C4)C2)C3)cc1 100495897 JBOZESARKKAUMK-UDBFDLGQSA-N 417.637 6.166 0 40 HKAB COc1c(C)cc(Br)cc1C(=O)NC12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2 101195883 JGWRMSDWEXLKIK-AZQQJEAVSA-N 406.364 5.245 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923167 KZIUQJZMWULELD-QVJUQYADSA-N 415.706 7.222 0 40 HKAB CCOc1ccc([C@H]2CCCN2S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 141523751 RCFPHUXDIHFIGT-OAQYLSRUSA-N 417.571 5.052 0 40 HKAB O=C(COc1ccccc1Cl)NCCSCc1ccc(Cl)c(Cl)c1 218846259 PETYDIHNBMQTID-UHFFFAOYSA-N 404.746 5.075 0 40 HKAB O=C(NCCCc1ccccc1Cl)c1cccc(OCc2ccccc2Cl)c1 219842479 SSDPKBCXOWYJBB-UHFFFAOYSA-N 414.332 5.935 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223345129 REOJBBWOFDWEDZ-DFBJGRDBSA-N 419.565 6.315 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2ccc(Cl)c(C)c2)c1 224203553 AVONPOSDTLSWNW-UHFFFAOYSA-N 423.940 6.359 0 40 HKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)ccc1F 224896311 SFXMQEWMISGUCF-PKTZIBPZSA-N 422.573 5.705 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCCCC1 225657521 BQTMYZZXVCOBMZ-UHFFFAOYSA-N 416.606 5.255 0 40 HKAB Cc1ccccc1[C@H]1CCN(C(=O)CSc2nc3ccccc3s2)CCS1 225741585 BDTGXRQMIMCABR-GOSISDBHSA-N 414.621 5.404 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2cccnc12 225863202 ZDMTUEHEUZTDCM-UHFFFAOYSA-N 422.956 6.374 0 40 HKAB CC(C)c1nc(Cc2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)no1 226092333 XXTCLXNWOWZONR-UHFFFAOYSA-N 411.505 5.554 0 40 HKAB Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3ccccc3Br)oc12 226270594 VCOQZGFVZJDOPQ-UHFFFAOYSA-N 413.193 5.091 0 40 HKAB CCOc1ccc(C(=O)c2sc3nc(C(F)(F)F)c4c(c3c2N)CCCC4)cc1 257173863 ZOIAKCLJJDRDNI-UHFFFAOYSA-N 420.456 5.406 0 40 HKAB CCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 408624528 XQOLKZUGCRKXGL-UHFFFAOYSA-N 400.434 5.336 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2cccc(Cl)c2)cc1Cl 408697395 GYXNJVKPSMJXQU-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB COc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(C)c3C)n2)c1 408699943 XOGKXYXAVFOVTN-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB CCOC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)oc1ccccc12)c1ccccc1 409001538 IZOSIVNZQHWHCV-HXUWFJFHSA-N 402.450 5.402 0 40 HKAB O=C1N/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1C1CCCCC1 409092087 SVNZWPSBQSZJHL-ATVHPVEESA-N 404.388 5.191 0 40 HKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(F)cc3)n2C)cc1C 409207540 WGTCCLJDZDITCJ-RFBIWTDZSA-N 416.521 5.918 0 40 HKAB CC[C@H]1[C@@H](O)[C@@H]2[C@H]3CC[C@@H]([C@@H](C)CCC(=O)O)[C@]3(C)CC[C@H]2[C@@]2(C)CC[C@H](O)C[C@H]12 504760869 ZXERDUOLZKYMJM-XYZPLTHTSA-N 420.634 5.114 0 40 HKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)/C(=C/c3ccccc3Cl)C[C@H]12 1889130369 YMHMUKZSUKEOTI-NTJXKJPSSA-N 415.017 6.098 0 40 HKAB Nc1c(C(=O)c2ccc(F)cc2F)sc2nc(C(F)(F)F)c3c(c12)CCCC3 689162 XKJVXNORAUKNKT-UHFFFAOYSA-N 412.383 5.285 0 40 HKAB O=C(Nc1cccc(Br)c1)c1cc2cc(Cl)cc(Cl)c2oc1=O 845990 SPGHFTHDKBVRKW-UHFFFAOYSA-N 413.054 5.115 0 40 HKAB O=C(COc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1)Nc1ccccc1F 938858 HQRYSPMJDCJAFX-UHFFFAOYSA-N 423.827 5.270 0 40 HKAB Fc1ccc(-n2cc(-c3ccccc3)c3c(NCCC4=CCCCC4)ncnc32)cc1 1447525 WPBGQZAMJWOAHU-UHFFFAOYSA-N 412.512 6.529 0 40 HKAB CCOc1cc2c(cc1OCC)[C@H](c1ccccc1)N(c1ccc(F)cc1)C(=O)C2 2259458 JDJJIFJQJYQGMD-VWLOTQADSA-N 405.469 5.302 0 40 HKAB COc1ccc(C2=C(Cl)C=C(c3ccc(F)cc3)c3ccccc3O2)cc1OC 2262708 WBLYUMVVRCPEIY-UHFFFAOYSA-N 408.856 6.275 0 40 HKAB Cc1ccc(-c2c3c(nc4sc(C(=O)Nc5ccccc5)c(N)c24)CCCC3)cc1 2364170 PIYGKCBOGOSSLR-UHFFFAOYSA-N 413.546 5.985 0 40 HKAB O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 2436650 WXSXGQHUMGGYQL-UHFFFAOYSA-N 400.217 5.612 0 40 HKAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccco2)n1Cc1ccccc1 2631980 WYRXEPNGOOMFQD-UHFFFAOYSA-N 419.506 5.090 0 40 HKAB CCOc1ccc2nc(NC(=O)CSc3ccc(Br)cc3)sc2c1 2648244 GIZBEWMEMXDINR-UHFFFAOYSA-N 423.357 5.188 0 40 HKAB O=C(CSc1cccc2cccc(Cl)c12)Nc1ccccc1N1CCOCC1 2661058 RUERNYLTWNRCFX-UHFFFAOYSA-N 412.942 5.061 0 40 HKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)N(C)c1ccccc1 3248076 HZHCMFVYPMCQSW-UHFFFAOYSA-N 410.473 5.030 0 40 HKAB COc1ccc(C(=O)[C@@H](Sc2ncnc3sccc23)c2ccc(OC)cc2)cc1 3260216 WSHQEGRKROYURL-FQEVSTJZSA-N 422.531 5.425 0 40 HKAB COc1cc2c(cc1NC(=O)CSc1ncnc3ccccc13)oc1ccccc12 3294979 LNSSZUFUEBUMQJ-UHFFFAOYSA-N 415.474 5.269 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1 3647674 MNVRMVAKWVMMSE-INIZCTEOSA-N 415.493 5.729 0 40 HKAB Cc1ccc(Sc2ccc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 3659132 GTBBVPICODKBDF-LDADJPATSA-N 410.882 5.490 0 40 HKAB Cc1ccccc1-n1nc2c(c1NC(=O)c1cccc(C(F)(F)F)c1)CSC2 4176084 BQIBZDPSJBMITM-UHFFFAOYSA-N 403.429 5.199 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(Cl)cc2)cc1 4281964 QEESWAQDXJEJPT-XUZZJYLKSA-N 420.896 5.600 0 40 HKAB Cn1c(COc2ccccc2)nn(C2c3ccccc3Oc3ccccc32)c1=S 4539646 FWIFXZAPMPMQCM-UHFFFAOYSA-N 401.491 5.273 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3cccs3)C[C@H]21 4715726 KRQMAVGWRPJGKJ-XMSQKQJNSA-N 412.461 5.667 0 40 HKAB CCc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)cc1 5255028 GPGFCWKFTBXKQU-BKMJKUGQSA-N 414.505 5.509 0 40 HKAB CC(C)(C)N(Cc1nc(-c2ccccc2)no1)C(=O)Nc1cccc2ccccc12 5452003 HBRRUBPOUDFKEU-UHFFFAOYSA-N 400.482 5.722 0 40 HKAB COc1ccc(-c2nc3ccccc3c(C(=O)NCCC3=CCCCC3)c2C)cc1 6232811 ZLUJUNVUNLABAE-UHFFFAOYSA-N 400.522 5.839 0 40 HKAB CCOC(=O)c1cc(-c2ccc(Cl)s2)nc2nc(N3CCCCC3)sc12 6656028 GQTKCYKEWGWGQD-UHFFFAOYSA-N 407.948 5.240 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccccc1OCc1ccc(C)cc1 6843466 ZKCQMFNKSYUACU-JOCHJYFZSA-N 420.534 5.342 0 40 HKAB Cc1cc2sc(NC(=O)C34CC5(C)CC(C)(CC(C)(C5)C3)C4)nc2cc1Cl 6962361 JJDZGXWVNBGNOT-UHFFFAOYSA-N 402.991 6.583 0 40 HKAB Cc1ccc(CN(C)C(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 7164029 ZHWYNFMHLWDNOF-UHFFFAOYSA-N 409.555 5.093 0 40 HKAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2Cc2ccc(C)o2)c(C)c1 7778744 CCZDQSGSCWJSDA-UHFFFAOYSA-N 418.522 5.248 0 40 HKAB O=C(Cc1ccc(Br)cc1)Nc1nc(-c2cc(F)ccc2F)cs1 7779769 ORECGYSAUUTQLG-UHFFFAOYSA-N 409.255 5.032 0 40 HKAB Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2ccc(N3CCCC3)cc2)n1 7780558 DPTVTDJEHQIOST-UHFFFAOYSA-N 418.566 5.238 0 40 HKAB CCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C1=CCCCC1 7790969 HNIKOQBIJRYCQO-UHFFFAOYSA-N 421.570 5.160 0 40 HKAB Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(C4CC4)n3-c3ccccc3)o2)cc1 8027048 ZAUQWYYZHWFAQK-OAHLLOKOSA-N 403.511 5.356 0 40 HKAB Cc1cc(C)nc(Nn2c(-c3ccc(-c4ccccc4)cc3)nc3ccccc3c2=O)n1 8570185 CLWINSYDGGBBDE-UHFFFAOYSA-N 419.488 5.013 0 40 HKAB O=[S@@](Cc1cc(Oc2ccccc2)nc(-c2ccccc2)n1)c1ccc(Cl)cc1 8762858 HCPSNFDUENPLSU-GDLZYMKVSA-N 420.921 5.897 0 40 HKAB Cc1cccc(CN2CCC(C(=O)Nc3ccccc3Sc3ccccc3)CC2)c1 9063064 HNIDRCLAPKCPPD-UHFFFAOYSA-N 416.590 5.997 0 40 HKAB COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3Cl)cc2O)cc1 9187784 AFGJVCGTIHPMBU-UHFFFAOYSA-N 422.868 5.816 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1 9368408 SSOOIDRCXAIIPX-RUZDIDTESA-N 413.521 5.222 0 40 HKAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N[C@@H]1CCCc2ccccc21 9464144 HCSMSTKDUFQIEX-RDTXWAMCSA-N 424.595 5.016 0 40 HKAB COc1cccc(CN(C)C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)c1OC 9517080 VXLSKQDWUJGFST-SFHVURJKSA-N 404.510 5.273 0 40 HKAB Cc1c(C(=O)c2ccc(Cl)cc2)oc2ccc(NC(=O)c3ccc(F)cc3)cc12 9659875 YEEXAOJVZZBDOJ-UHFFFAOYSA-N 407.828 6.017 0 40 HKAB biogenic CSc1nnc(S[C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)s1 10776571 CPMVVZWOSSSJDE-SSDOTTSWSA-N 404.464 5.182 0 40 HKAB C[C@@H](Nc1ncc(-c2cccs2)c(-c2nccs2)n1)c1nc2ccccc2[nH]1 12220835 BKRFFUMYAKUXQZ-GFCCVEGCSA-N 404.524 5.378 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1Oc1cccc(C)c1 12803342 LVGMLLPABRUUSQ-XMMPIXPASA-N 412.489 5.690 0 40 HKAB CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccccc2Cl)N(C)C(=S)N1C 13063954 KVVOJWQCJPOKQS-SFHVURJKSA-N 420.365 5.109 0 40 HKAB Cc1ccc(NC(=O)c2nnc3c(-c4cccc5ccccc45)c(C)nn3c2C)c(C)c1 13635697 KQHRJLGVYUQMOY-UHFFFAOYSA-N 421.504 5.430 0 40 HKAB FC(F)(F)c1ccc(Cl)c(NC(=S)N(Cc2ccco2)C[C@H]2CCCO2)c1 13719927 UFBJEPQPQYRVLY-CQSZACIVSA-N 418.868 5.330 0 40 HKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)c1 13786629 LUEKYPPVXZMBGD-LJQANCHMSA-N 415.924 5.567 0 40 HKAB O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(Br)s1 14257154 MKGIYAMGYUWXAS-UHFFFAOYSA-N 410.314 5.104 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2ccc(C)s2)c1C 14405650 ANHVCTFRUMUEFT-UHFFFAOYSA-N 410.543 5.175 0 40 HKAB Cc1ccc(NC(=O)CSc2nccn2Cc2ccccc2Cl)cc1Cl 15825569 QHIOJXVWKTWSSY-UHFFFAOYSA-N 406.338 5.277 0 40 HKAB COc1ccccc1CN(Cc1cccs1)C(=O)c1cc(C)nc2ccccc12 16015092 UHDCMSUSEPMFHD-UHFFFAOYSA-N 402.519 5.456 0 40 HKAB Clc1cc2c(cc1CSc1nnc(-c3ccco3)n1-c1ccccc1)OCO2 16523739 BYNCPDYRBNKHBF-UHFFFAOYSA-N 411.870 5.202 0 40 HKAB O=c1nc2n(c3ccccc13)[C@H](c1ccccc1)[C@@H](Sc1ccccc1)CS2 16779191 IFVWUTLPCSOGGZ-LEWJYISDSA-N 402.544 5.253 0 40 HKAB CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCCCn1ccnc1)n2C 19894357 FXVQLWQRVFJMIJ-UHFFFAOYSA-N 420.944 5.078 0 40 HKAB Cc1ccc(-c2csc3ncc(C(=O)Nc4ccc(C(C)C)cc4)c(=O)n23)cc1 20768067 RACQVHPWKCJWEM-UHFFFAOYSA-N 403.507 5.107 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(OCC(C)C)c1 21580712 UJHRWKJHKRWKCL-UHFFFAOYSA-N 415.493 5.526 0 40 HKAB Cc1ccc(OCC(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c(C)c1 26124612 ISIQDJFNJIMKIQ-UHFFFAOYSA-N 420.900 5.017 0 40 HKAB COc1ccc(/C=C2/C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)O)cc1 33627289 GAPWIIRKBBTHQT-MTMYEVCSSA-N 401.506 6.091 0 40 HKAB O=C(CSc1nc2ccccc2cc1CC1CCCC1)Nc1ccc2c(c1)OCO2 35311590 HAXCVHWGAHJDIB-UHFFFAOYSA-N 420.534 5.427 0 40 HKAB COc1ccc(OC)c([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(C(F)(F)F)c2)c1 36359249 UWNFLWBARUVLIT-INIZCTEOSA-N 417.387 5.032 0 40 HKAB O=C(Nc1cccnc1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 37867839 SJWFRESHMTUGEO-UHFFFAOYSA-N 404.267 5.312 0 40 HKAB Cc1ccccc1CN1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 39768724 MDKHOINAUNXAGB-UHFFFAOYSA-N 410.867 5.518 0 40 HKAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)c(F)c3F)c12 40128433 RDMMVTMRTIFMEQ-UHFFFAOYSA-N 402.420 5.042 0 40 HKAB Cc1ccc(NC(=O)Cn2c(-c3ccc(Cl)cc3Cl)nc3ccccc32)c(C)c1 40307476 XKVVQZLXALYYQN-UHFFFAOYSA-N 424.331 6.266 0 40 HKAB CC(C)[C@@H](SC1=Nc2ccccc2CS1)C(=O)N[C@H]1CCOc2ccccc21 43030816 NGDABHCJKQXQJS-AZUAARDMSA-N 412.580 5.319 0 40 HKAB CC1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)c3ccccc3)cc2)CC1 44915920 CIXGFOBRSTVDJU-UHFFFAOYSA-N 412.533 5.402 0 40 HKAB CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(F)cc2)cc1 59498057 VKVWBUYKCQPSHV-XMMPIXPASA-N 404.485 6.166 0 40 HKAB O=C(Nc1ccc(Sc2ccccc2Cl)cc1)[C@H]1CCCN(c2cnccn2)C1 60106487 JYAIAIMTXCPIAQ-INIZCTEOSA-N 424.957 5.136 0 40 HKAB O=C(COc1ccc(F)cc1)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 96124437 GVHCKYYOAOPQBD-UHFFFAOYSA-N 420.469 5.105 0 40 HKAB COC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 100016740 NUZQUUYDZHIJEP-VPXOMJNPSA-N 402.321 6.077 0 40 HKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(O)=C2[C@H]1c1cccnc1 101268562 WARCHNXBEVFXCH-JIPXPUAJSA-N 423.516 5.960 0 40 HKAB COc1ccc(OC)c([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)c1 102875833 RRWIWYBIFCICPE-DEOSSOPVSA-N 420.509 5.516 0 40 HKAB O=C(Nc1ccccc1Cc1ccccc1)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 103037430 DQLSOAICGUUMDB-AYJAPBJVSA-N 424.382 5.950 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OC(C)C 214446583 ZEFKXSSSZURIMM-FYJGNVAPSA-N 411.523 5.417 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](c1ccccc1)c1ccccc1C 223073437 VTJWBTKPWIPABN-KAYWLYCHSA-N 413.561 5.937 0 40 HKAB C[C@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc2c(c1)CCC2 223225289 KSCWOURZOGRHNC-INIZCTEOSA-N 414.952 5.057 0 40 HKAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccccc1OC 224243619 XUBQZYJWEGZZOG-UHFFFAOYSA-N 409.507 5.257 0 40 HKAB CCC1(CC)C[C@H](NC(=O)COc2cc(C)c(Cl)c(C)c2)c2ccccc2O1 225765765 UHTDCAIJWADXGS-IBGZPJMESA-N 401.934 5.534 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CCOCC2)c1 225773046 GMJBJFWEGNPQHJ-UHFFFAOYSA-N 417.549 5.870 0 40 HKAB COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cccc(OCc2ccccc2Cl)c1 225780002 HATKNNQVRRDSEW-XMMPIXPASA-N 421.924 5.735 0 40 HKAB O=C1c2ccccc2CN1c1ccc2oc(-c3ccc(Br)cc3)nc2c1 226286455 GKADVVWTSGQTGK-UHFFFAOYSA-N 405.251 5.418 0 40 HKAB COc1cc(C(=S)NCc2ccco2)ccc1OCc1c(Cl)cccc1Cl 408575351 NYAYGYDFHUQGJQ-UHFFFAOYSA-N 422.333 5.639 0 40 HKAB S=C(c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)N1CCOCC1 408578825 ZMBOQFWPHBFOHI-UHFFFAOYSA-N 416.757 5.234 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3)n2)cc1C 408696161 WYUVXTAIPMAOSY-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2cc(C)ccc2C)cc1 408700220 ZRXXXXSXLHQLMZ-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc2ccccc2c1 408820443 WCJZSPYSOQOQIT-HMAPJEAMSA-N 419.502 5.484 0 40 HKAB CCc1ccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 409111748 DUPKNHCPDUZZTH-UHFFFAOYSA-N 414.318 6.342 0 40 HKAB Cc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 409116551 JIZKZJNDFGCMMJ-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB CCOc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccc(C)cc1 409171605 ASOIPUCQAUECRG-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB O=C(CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O)c1ccc(Cl)cc1 409347547 QBYUKGZNSRDUFP-UDWIEESQSA-N 407.878 5.412 0 40 HKAB CCOc1cc(C)ccc1OCc1nnc(SCc2ccccc2Cl)n1C 409349163 UTRIJFYQHQLQJT-UHFFFAOYSA-N 403.935 5.047 0 40 HKAB Cc1cc(C)c([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc(Cl)cc2)c(C)c1 671530 KMOBLKNYAICKRA-QFIPXVFZSA-N 419.912 5.177 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1 980445 IVYTZLNDDKZCCN-UHFFFAOYSA-N 405.454 5.069 0 40 HKAB CCOC(=O)c1csc(N(Cc2ccc(F)cc2)c2ccc(C(F)(F)F)cc2)n1 1395331 KMJGKZDXOSLYAT-UHFFFAOYSA-N 424.419 5.816 0 40 HKAB COc1ccc(NC(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 1406404 PBONDTASKFRQLB-VGOFMYFVSA-N 411.860 5.719 0 40 HKAB O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1ccco1 1510371 WQBRQPGVCCBKAC-UHFFFAOYSA-N 404.647 5.179 0 40 HKAB CC(C)/C=C(/CC(C)C)[C@@H](CCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 1713118 LQBSZMAAJNMYFL-VKCJIPKCSA-N 406.570 6.289 0 40 HKAB Cc1cc(C)cc(Oc2coc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)c1 1768239 ZSKTWVJZAHSQQY-UHFFFAOYSA-N 406.865 6.435 0 40 HKAB Cc1ccc(COc2ccc3c(=O)c(Oc4cc(C)c(Cl)c(C)c4)coc3c2)cc1 1775116 DYJWSSWCEZZCHY-UHFFFAOYSA-N 420.892 6.743 0 40 HKAB CC(C)(C)CC(=O)Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1 1777090 VJKGJPVWJVHSBK-UHFFFAOYSA-N 402.446 6.080 0 40 HKAB Cc1cccc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)c1 2389070 QDIMUVCWIVIKLY-HSZRJFAPSA-N 401.462 5.050 0 40 HKAB in-vitro Cc1ccc(C(=O)CSc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1 2402661 SINGHKUJOANIRC-UHFFFAOYSA-N 421.953 5.950 0 40 HKAB Cc1ccc2c(CC(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)coc2c1 2655836 MAAORRGZPSGMHF-UHFFFAOYSA-N 417.317 6.353 0 40 HKAB Cc1cccc(CSc2nc3c(c(=O)n2-c2ccc(Cl)cc2)SCC3)c1 2720009 GUPUVROKIGNPRM-UHFFFAOYSA-N 400.956 5.135 0 40 HKAB Cc1ccc(-c2c3c(nc4sc(C(=O)c5ccc(F)cc5)c(N)c24)CCCC3)o1 3014121 FTOLROOHAPSTMS-UHFFFAOYSA-N 406.482 5.696 0 40 HKAB Clc1ccc(SCc2cc(Sc3ccccc3)nc(-c3ccccc3)n2)cc1 3104478 VMTMYEOMJCARBF-UHFFFAOYSA-N 420.990 7.241 0 40 HKAB C[C@H]1Cc2ccccc2N1C(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 3164396 VCKJZKKNXKLZLY-HNNXBMFYSA-N 410.489 6.336 0 40 HKAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1cc(Br)ccc1Cl 3242512 YHEOQZTZVDKSEP-UHFFFAOYSA-N 417.715 6.118 0 40 HKAB CCOc1ccc(-n2c(SCc3c(C)noc3C)nnc2-c2cccc(C)c2)cc1 3270966 QYPHBKNTTGGTOS-UHFFFAOYSA-N 420.538 5.539 0 40 HKAB O=C(Cc1ccc(Cl)cc1Cl)Oc1ccc2cc(Br)ccc2c1 3282037 HCAUNIYZJHZYHQ-UHFFFAOYSA-N 410.094 6.057 0 40 HKAB CC(C)n1ncc2c(C(=O)OCc3cccc4ccccc34)cc(-c3ccccc3)nc21 3416874 CFHGNFCOVBNFJR-UHFFFAOYSA-N 421.500 6.189 0 40 HKAB Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)CC2 3875984 WGVKWNUPNGFDFJ-RZIGYZOXSA-N 416.690 8.532 0 40 HKAB biogenic,in-vitro CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H](C)Oc1ccccc1 4699040 UOTZKBJQECRIMP-ZDUSSCGKSA-N 408.354 6.037 0 40 HKAB Clc1ccc(C2=NN(c3ccc(Br)cc3)[C@@H](c3ccccc3)C2)cc1 5008108 NPELUEONMDTUCR-OAQYLSRUSA-N 411.730 6.458 0 40 HKAB CCCCCOc1ccccc1/C=C/[C@]12NC(=O)CCN1c1ccccc1C2(C)C 5477546 LEZJUWKEKCYJMT-DSDNZOFKSA-N 404.554 5.283 0 40 HKAB CCN(CC)Cc1ccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)cc1 5643925 ITRTWVWKNCVVEX-DHZHZOJOSA-N 407.341 5.496 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](Sc2ncnc3sccc23)c2ccccc2)c1 6280964 NKPIXGGFMFWWDI-LJQANCHMSA-N 405.548 5.780 0 40 HKAB CCCCc1ccc2nc(NC(=O)c3ccc(OCc4ccccc4)cc3)sc2c1 6398130 SWEPIAAOGBKZCJ-UHFFFAOYSA-N 416.546 6.470 0 40 HKAB Cc1ccc(OCc2ccc(C(=O)Oc3ccc(Cc4ccccc4)cc3)cc2)cc1 6479749 KSEOVLNDXKWZDV-UHFFFAOYSA-N 408.497 6.384 0 40 HKAB FC(F)(F)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)nc2ncnn12 6720848 DFZPUJHAJVIUER-UHFFFAOYSA-N 404.779 5.043 0 40 HKAB Fc1cccc(Cl)c1Cn1c(Cc2cccc3ccccc23)nc2ccccc21 6995455 NSODLZNJPVYMGI-UHFFFAOYSA-N 400.884 6.621 0 40 HKAB Cc1occc1-c1nnc(SCC(=O)c2cc(C)n(Cc3ccccc3)c2C)o1 7195383 KXMUFXCFPNRDRZ-UHFFFAOYSA-N 407.495 5.080 0 40 HKAB CCOc1cc(CN[C@H](C)c2ccco2)ccc1OCc1c(F)cccc1Cl 8157416 DMIFOZPJUGWKDS-OAHLLOKOSA-N 403.881 5.901 0 40 HKAB CC[C@H](C)NCc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 8326644 BZIMGZFOIAIMLP-ZDUSSCGKSA-N 412.755 5.578 0 40 HKAB CCc1n[nH]c(=S)n1NCc1ccccc1OCc1ccc(Cl)cc1Cl 8339427 KHEZWMOJPCKDFW-UHFFFAOYSA-N 409.342 5.133 0 40 HKAB N=C1S/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)C(=O)N1c1ccc(F)cc1 8436842 HJFKNYIXQSWOCM-WEYXMBDUSA-N 416.836 5.934 0 40 HKAB COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(Cl)c2)c1 9343981 DDHNTRUFSCBEAJ-UHFFFAOYSA-N 420.852 5.599 0 40 HKAB O=C([C@@H]1COc2ccccc2O1)N(c1ccc(Cl)cc1)c1nc2ccccc2s1 9949751 WDJCFOBTPXZGTO-IBGZPJMESA-N 422.893 5.454 0 40 HKAB Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)[C@@H]3CC=CCC3)cc2)on1 12159099 KQIUVVKRYIOLSR-HXUWFJFHSA-N 416.525 5.203 0 40 HKAB CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN23)cc1 12276106 UYJMAOUZBPZVAZ-NOZRDPDXSA-N 400.478 5.336 0 40 HKAB CN(Cc1ccccc1NC(=O)c1ncoc1-c1ccc(F)cc1)C1CCCCC1 12326006 FFWGPVIPAQUPSW-UHFFFAOYSA-N 407.489 5.498 0 40 HKAB Cc1cc(C)cc(NC(=O)c2c(N)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)c1 12342031 JKNWGIKLYQWRNN-UHFFFAOYSA-N 417.896 5.275 0 40 HKAB Cc1ccc(C2=N/C(=C/c3ccccc3OCc3ccc(F)cc3)C(=O)O2)cc1Cl 12628686 BNHDXQUTJBXXGG-FYJGNVAPSA-N 421.855 5.711 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(/C=C(\Cl)c3nc(O)c4ccccc4n3)c2)cc1 12972996 RTJOXMCEFBUDGX-ZHZULCJRSA-N 415.880 5.633 0 40 HKAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccccc1Sc1ccccc1 13680818 WQAVTXJEUJTRET-UHFFFAOYSA-N 424.374 6.087 0 40 HKAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cc(C2CC2)nn1-c1ccccc1 15356193 URZIVWVYALIXSL-UHFFFAOYSA-N 422.460 5.404 0 40 HKAB O=C(NC(=S)Nc1nc2c(Cl)cccc2s1)c1ccc(-c2ccccc2)cc1 17093738 HMYZWSCXTABWFC-UHFFFAOYSA-N 423.950 5.744 0 40 HKAB CCCOc1ccc([C@@H]2CC(=O)Nc3c2cc(Br)c2ccccc32)cc1 20851413 JDWXYVNHFLDFGW-SFHVURJKSA-N 410.311 5.865 0 40 HKAB Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccc(Cl)s3)n2N)c1 23328416 FHCYEYNUYAHAKB-UHFFFAOYSA-N 408.980 5.010 0 40 HKAB O=C(Nc1ccc(-c2nc3cnccc3o2)c(Cl)c1)c1ccc(Br)o1 32074152 DPJPLXALQWRPOI-UHFFFAOYSA-N 418.634 5.151 0 40 HKAB CC(C)c1nnc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)s1 32502383 GNIOUOBJSOSCAX-UHFFFAOYSA-N 415.824 5.846 0 40 HKAB O=C(CCCc1nc2ccccc2s1)N1CCc2sccc2[C@H]1c1cccs1 32781468 NGELUNJBDZFEMG-QFIPXVFZSA-N 424.616 5.916 0 40 HKAB CC(=O)c1ccc(C(=O)Nc2ccc(OC(F)F)c(Cc3ccccc3)c2)s1 32837272 JAVFIOUWYQODAK-UHFFFAOYSA-N 401.434 5.395 0 40 HKAB CC(=O)c1ccc(SCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c(F)c1 32999434 ZSXUHPURFVVXCV-UHFFFAOYSA-N 419.481 5.302 0 40 HKAB CN1/C(=C/[P@](O)(=Nc2ccc(F)cc2)c2ccccc2)C(C)(C)c2ccccc21 34982648 HNMNOSZDBVYWHN-LPEFSEJTSA-N 406.441 6.160 0 40 HKAB O=Cc1cc(Br)cc(Br)c1OCc1cccc2ccccc12 35657437 YSMLPOQTOBHNGP-UHFFFAOYSA-N 420.100 5.756 0 40 HKAB O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)Nc1ccc(Cl)cc1Cl 71283577 ITHHJFWKMJYFIB-UHFFFAOYSA-N 424.287 5.009 0 40 HKAB Cc1ccc(-n2nc(C)cc2NC(=O)N2CC[C@H](CSc3ccccc3)C2)cc1 95403787 UZJZEBCMVYLAHW-IBGZPJMESA-N 406.555 5.135 0 40 HKAB O=C(NCc1ccccc1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 96154483 XYCFAQOATYVCJM-UHFFFAOYSA-N 411.486 5.548 0 40 HKAB CCOc1ccc([C@H]2C=C(c3ccc(F)cc3)Nc3nc(-c4ccccc4)nn32)cc1 101915755 VFQXOTSQSZFLHF-HSZRJFAPSA-N 412.468 5.539 0 40 HKAB COc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1N1CCCCC1 108023448 SKVBJVFVFNTQMC-UHFFFAOYSA-N 423.738 5.354 0 40 HKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 222865238 QLHMLBWXKJUWAU-VQTJNVASSA-N 414.937 5.047 0 40 HKAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223343940 OGFCWJUEBATSSR-OXQOHEQNSA-N 403.950 5.815 0 40 HKAB O=C(Nc1ccc(CSc2ccccc2)cc1)C1(c2ccccc2)CCOCC1 223459684 WRVXGBMHUAMXCG-UHFFFAOYSA-N 403.547 5.666 0 40 HKAB COc1ccc(C(=O)NCc2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 224178365 ZRVDQHVRBAQREX-UHFFFAOYSA-N 403.522 5.502 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2C)cc1COc1ccc(-c2ccccc2)cc1 224215101 OJZXUDNQVSFULO-UHFFFAOYSA-N 423.512 6.502 0 40 HKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1CSc1ccc(C)cc1 224334030 BROKRDWVQUHYRE-UHFFFAOYSA-N 411.954 5.879 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1ccc(Cl)cc1 224498408 JSJFUVQKXYPXJX-UHFFFAOYSA-N 409.913 6.132 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c1 225700053 IJDUETIBTVQVLS-NRFANRHFSA-N 424.953 5.511 0 40 HKAB Cc1ccccc1-c1noc(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)n1 225816358 AWFWXMQBTNLLKS-UHFFFAOYSA-N 411.505 5.207 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](C(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C 248236065 CGHGJNRXRSZLJH-QYUJHIDSSA-N 414.674 7.729 0 40 HKAB CCC(CC)C(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2ccncc2)CC1 257335281 YJLPCTSYZJTRDV-XGAFWQRZSA-N 408.590 5.488 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1OCC 408557971 RAZROGUYEIOOIS-UHFFFAOYSA-N 405.494 6.309 0 40 HKAB Cc1ccc(-c2sc(NC(=O)c3ccc(Cl)cc3)nc2-c2ccccc2)cc1 408821067 BYKMHIFIPSBPAJ-UHFFFAOYSA-N 404.922 6.691 0 40 HKAB O=C(Nc1cccc(Br)c1)c1ccc(COc2ccc(Cl)cc2)o1 409200440 LJRBASQLEDEUJW-UHFFFAOYSA-N 406.663 5.527 0 40 HKAB COc1cc(CNc2ccc(Br)cc2)ccc1OCc1cccc(F)c1 409206331 UPDNYFOPHFIJBN-UHFFFAOYSA-N 416.290 5.788 0 40 HKAB O=C(Cc1cccc2ccccc12)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 575615084 MGWDDSVBAXSJGI-UHFFFAOYSA-N 424.548 5.112 0 40 HKAB COc1ccc([C@@H](CCN(C[C@H]2CCOC(C)(C)C2)C(C)=O)c2ccccc2)cc1 1322293 XWVVJKVSQBGTHS-OFVILXPXSA-N 409.570 5.271 0 40 HKAB biogenic O=C(Nc1ccccc1Cl)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1 1369044 JWMBMROYEFZTDP-RTBURBONSA-N 401.913 5.186 0 40 HKAB COc1ccc(NC(=O)/C(Cl)=C(/Cl)SCc2ccc(Cl)cc2)cn1 1383567 HAJWVWYANCAHMV-CCEZHUSRSA-N 403.718 5.262 0 40 HKAB O=C(COc1ccccc1)Oc1c(-c2ccccc2Cl)oc2ccccc2c1=O 1972267 ISWUXASSAKMXBW-UHFFFAOYSA-N 406.821 5.098 0 40 HKAB Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4cccc(C)c4)C(=O)N32)cc1 2103162 GSIRJUOXIVJFSV-ZCYQVOJMSA-N 421.500 5.268 0 40 HKAB biogenic CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)c1 2145264 HADUWPVDNBNDJM-UHFFFAOYSA-N 416.546 5.419 0 40 HKAB CSc1nc2sc3c(c2c2nnc(SCc4cccc(F)c4)n12)CCCC3 2233335 DMDUACXMAVSORB-UHFFFAOYSA-N 416.572 5.371 0 40 HKAB O=c1oc2c(Cl)cc(Cl)cc2c(-c2ccccc2)c1-c1ccc(Cl)cc1 2573864 QJRIEVPTFJRGEH-UHFFFAOYSA-N 401.676 7.087 0 40 HKAB O=C(NCCC(c1ccccc1)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F 2737234 HXKRLUFROPNGGE-UHFFFAOYSA-N 405.366 5.334 0 40 HKAB Clc1ccc(C2=C[C@H](c3cccc4ccccc34)n3c(nc4ccccc43)N2)cc1 2797319 KTRUSKSUYLGQRR-RUZDIDTESA-N 407.904 6.899 0 40 HKAB Fc1cc(F)c(F)c(OCc2ccc(-c3nc4c5ccccc5ncn4n3)cc2)c1F 2806256 WPQVUOYXTOVVPS-UHFFFAOYSA-N 424.357 5.080 0 40 HKAB C[C@H]1CCc2c(sc(NC(=O)c3ccccc3Oc3ccccc3)c2C(N)=O)C1 3187472 PJRFNTSZRXQENN-AWEZNQCLSA-N 406.507 5.016 0 40 HKAB CCN1C(=S)N(CC)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C1C 3296569 MMLPTAFWZLUTCL-FQEVSTJZSA-N 413.974 5.236 0 40 HKAB CCCCCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 4108928 DDVXLHVDAASLQC-UHFFFAOYSA-N 423.538 5.387 0 40 HKAB COc1ccc(C(=O)Oc2ccc3oc(=O)c(-c4ccccc4)c(C)c3c2)cc1OC 4340759 MRMAMOKVRYMHQN-UHFFFAOYSA-N 416.429 5.005 0 40 HKAB biogenic CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F 4498597 MZDCQPQRQNWRSZ-QNGOZBTKSA-N 424.541 5.137 0 40 HKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCc1cccs1 4516586 NHNHYZKPPACJKE-UHFFFAOYSA-N 406.532 5.479 0 40 HKAB COC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCCCC2 4613955 LCOMYLZFCGAZMK-UHFFFAOYSA-N 401.572 5.349 0 40 HKAB CCCC(=O)n1nc(NCc2ccccc2Cl)nc1NCc1ccccc1Cl 4704915 HMZMWBCZISBRHS-UHFFFAOYSA-N 418.328 5.249 0 40 HKAB CC1(C)C[C@@]23Oc4ccccc4N2C(c2ccccc2)=C[C@@H](c2ccccc2)[C@H]3CO1 4729522 FVYWBKDBHKJWES-JWZKTCGFSA-N 409.529 6.235 0 40 HKAB c1ccc([C@H]2C3=C(c4ccccc4CC3)N3c4ccccc4O[C@]34CCCC[C@H]24)cc1 4729856 SZOCNTHWLVFMCN-QXGAZULMSA-N 405.541 6.927 0 40 HKAB CCN(CC)c1ccc2c(c1)Oc1ccc(NC)cc1[C@]21OC(=O)c2ccccc21 4794696 YDRFEYUCIQSKNK-RUZDIDTESA-N 400.478 5.143 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(-c3ccccc3)cc2)cc1 4857753 PDUBQPIRPRMHAY-UHFFFAOYSA-N 404.469 5.728 0 40 HKAB Clc1ccc(-c2nnc(SCc3ccccc3Cl)n2-c2ccccc2)cc1 4959633 XMPNPZFAQYOMIA-UHFFFAOYSA-N 412.345 6.533 0 40 HKAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1ccccc1C(F)(F)F 5099331 KIVAALSTNOEBMQ-UHFFFAOYSA-N 414.383 5.144 0 40 HKAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4C)=NN32)cc1OC 5164680 FQXYBGMRESVFEY-ATIYNZHBSA-N 414.505 5.563 0 40 HKAB Cc1oc2cc(OCC(=O)N[C@@H](C)c3ccccc3)ccc2c(=O)c1-c1ccccc1 5497865 QOSSDWUZJCESQV-KRWDZBQOSA-N 413.473 5.025 0 40 HKAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)o2)cc1 5934589 XNLVBLVMAJFIHQ-UHFFFAOYSA-N 422.912 6.045 0 40 HKAB Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccccc3)n2)cc1 6032640 UMVATWIVXJJXLI-UHFFFAOYSA-N 403.429 5.202 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1Cc3ccccc3[C@H]21 6277040 JLYGZQVAUKMGFP-HMXCVIKNSA-N 409.407 5.875 0 40 HKAB CC(C)(C)c1ccc(NC(=O)CSCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 6590109 DCZXKMWKIUHXJT-UHFFFAOYSA-N 412.599 5.592 0 40 HKAB O=C(COc1ccccc1Cl)Oc1cc(-c2ccccc2)c2oc(=O)sc2c1 6809651 KFENPKVQEYWWFY-UHFFFAOYSA-N 412.850 5.159 0 40 HKAB O=C(c1ccc(Br)cc1)N(Cc1cccc(Cl)c1)Cc1ccco1 6810645 MBDBMHXXMQOWBG-UHFFFAOYSA-N 404.691 5.538 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1 7079999 ORUVWBQKIAIMQC-KRWDZBQOSA-N 414.509 5.260 0 40 HKAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 7504810 PZKOTOVSVYTIQU-DEOSSOPVSA-N 402.494 5.619 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)oc12 8960411 HRWLGXPDDQOWLO-UHFFFAOYSA-N 405.837 5.578 0 40 HKAB Cc1nc(COc2ccccc2C(=O)Nc2cccc(-c3csc(C)n3)c2)cs1 9056737 QHFWRHCNDKRYRT-UHFFFAOYSA-N 421.547 5.715 0 40 HKAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)CCc2ccccc2)c1 9387637 SYIMCZVABDLMDP-FQEVSTJZSA-N 400.522 5.368 0 40 HKAB CCCN1C(=O)c2ccccc2[C@H]1c1c(-c2cccc(OC)c2)n(C)c2ccccc12 9426302 RWZMWQMKUKNRON-SANMLTNESA-N 410.517 5.809 0 40 HKAB Cc1nc(COc2cccc(/C=C/C(=O)N[C@H](C)c3ccc(F)c(F)c3)c2)cs1 10307351 ZDFRPLUCXHMZSZ-VIIAAUOXSA-N 414.477 5.199 0 40 HKAB CCOc1cc([C@H]2CC(=O)Nc3ccsc32)ccc1OCc1ccc(Cl)cc1 12411600 HFBVKNNIFCLXQE-QGZVFWFLSA-N 413.926 5.853 0 40 HKAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(OC(F)(F)F)cc1 12538662 YSCXZBMTBURDKE-UHFFFAOYSA-N 403.385 5.214 0 40 HKAB C[C@@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)c1ccc(C(C)(C)C)cc1 12542233 VXAUKQZDKFRCCZ-KEQVLUGWSA-N 402.437 5.413 0 40 HKAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 12565761 AJCOJNIDPWQPOB-XCRHUMRWSA-N 401.330 5.083 0 40 HKAB Cc1ccc(C(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C32SCCS2)c(C)c1 13029685 TVIYYOULTBQVNG-AYHJJNSGSA-N 404.597 5.032 0 40 HKAB Fc1cccc(-c2nnc([C@@H](Nc3ccc(F)cc3F)c3ccc(Cl)cc3)o2)c1 13364453 PPQQQGHYIHMJBW-IBGZPJMESA-N 415.802 6.009 0 40 HKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 13708672 QUNIUKHPAXPESC-IBGZPJMESA-N 416.521 5.262 0 40 HKAB Cc1cc(CSc2ccccc2C(=O)Nc2ccc(N3CCC(C)CC3)cc2)no1 14070581 SWEHUIACDQQJLA-UHFFFAOYSA-N 421.566 5.764 0 40 HKAB C[C@@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1cccc2ccccc12 14075522 UYENRSQNRACVFC-MRXNPFEDSA-N 400.503 5.645 0 40 HKAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1CSc1nc2ccccc2s1 16018575 POSPZYBAFTVTPE-UHFFFAOYSA-N 420.515 5.570 0 40 HKAB CCCC(=O)N1N=C(c2ccc(C(C)C)cc2)Sc2c1nc(C)n2C(=O)CCC 16777268 UFSKBBWYQUTKHE-UHFFFAOYSA-N 412.559 5.356 0 40 HKAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN2Cc2ccc(Cl)c(Cl)c2)on1 19122514 HSRQHKXKWVRANX-SFHVURJKSA-N 403.313 5.392 0 40 HKAB Cc1ccc2c(CC(=O)N3CCC[C@H]3c3nnc(-c4ccsc4)o3)coc2c1C 19221722 KFZLPTPMQPGQLO-SFHVURJKSA-N 407.495 5.067 0 40 HKAB C[C@H](Cc1cccs1)C(=O)N1CCC(c2nc3ccccn3c2NC(C)(C)C)CC1 19457132 YLLVRJBOHMEPLK-QGZVFWFLSA-N 424.614 5.191 0 40 HKAB Cc1cc(C)cc(OCc2nnc(SCc3cccc(Br)c3)o2)c1 19928373 KMPFFWRZSVUMSB-UHFFFAOYSA-N 405.317 5.320 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(C(=O)O)cc1 20150889 LXIHRWATFLTASU-JXMROGBWSA-N 402.233 5.604 0 40 HKAB O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccc(O)c(C(=O)O)c1 20151084 KSZUWGIZNTYYHF-RMKNXTFCSA-N 417.339 5.021 0 40 HKAB Nc1c(Br)cc2oc(-c3ccc(F)c(Cl)c3)nc2c1Br 20436565 AGHWHVMYKMXEIT-UHFFFAOYSA-N 420.463 5.395 0 40 HKAB COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2OC)cc1 21798203 NSSOCULJKXLDMR-UHFFFAOYSA-N 422.488 5.848 0 40 HKAB Fc1cc2c(c(CSc3nnc(-c4cccnc4)o3)c1)O[C@H](c1ccccc1)OC2 22533626 WJMLGAANFHUIGJ-OAQYLSRUSA-N 421.453 5.171 0 40 HKAB O=C(Nc1ccccc1)N(Cc1nc2n(n1)CCCCC2)c1ccc(F)c(Cl)c1 28527905 OURIRNJQVXWXPK-UHFFFAOYSA-N 413.884 5.036 0 40 HKAB Cc1cc(SCc2nnc(-c3ccccc3Br)o2)nc2ccccc12 28614929 JJAGYSJQYJCAJM-UHFFFAOYSA-N 412.312 5.648 0 40 HKAB COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 33681358 QCPVXJREUWBAGV-UHFFFAOYSA-N 404.510 5.250 0 40 HKAB COc1ccc(CCN(C)C(=O)Nc2ccccc2Cc2ccccc2)cc1OC 43333934 PKTMDFBIQMCAFS-UHFFFAOYSA-N 404.510 5.001 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2cccc(Cl)c2C)nc1-c1ccccc1 46012695 BTALEVKZDVTADC-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(NCN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1Cl 59457366 YZKZEBZACLBFEJ-VXLYETTFSA-N 400.931 5.878 0 40 HKAB Cc1ccccc1-n1ncc(C(=O)NCC(C)(C)c2ccccc2F)c1C(F)(F)F 60338223 NKHHTHLGVXUDFQ-UHFFFAOYSA-N 419.422 5.046 0 40 HKAB CC(C)c1ccc(NC(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)cc1 64787993 BTCSBFSDHAUHDG-UHFFFAOYSA-N 423.925 5.452 0 40 HKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1Cc1ccccc1 72215274 ZUWCYXVWOUHCCO-REWPJTCUSA-N 423.601 6.349 0 40 HKAB FC(F)(F)c1cnc(-c2ccnc(SCc3ccc(Cl)cc3)n2)c(Cl)c1 91695737 TYOUCIRZNZWEJQ-UHFFFAOYSA-N 416.255 6.157 0 40 HKAB CN1C(=O)c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2Oc2ncccc21 95480819 SPHRFVWTDCWDPC-UHFFFAOYSA-N 421.456 5.383 0 40 HKAB COc1ccc2ccccc2c1CCC(=O)Nc1ccc(N2CCC(OC)CC2)cc1 96104479 YUIOJSNHYFQGSU-UHFFFAOYSA-N 418.537 5.035 0 40 HKAB CC[C@@]1(C)C[C@H]([C@H](CCN(Cc2ccccc2)C(C)=O)c2ccc(OC)cc2)CCO1 102807080 SJNCWJQRIMYGPD-IEUSDUHPSA-N 423.597 5.813 0 40 HKAB Cc1cccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2c3cc(C(C)(C)C)cc2C(C)(C)C)c1 102907999 BFKFUYHRYJWXLW-HFZDXXHNSA-N 406.570 6.360 0 40 HKAB CCCCn1nc(C)c2c(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c(Cl)c(C)nc21 103160702 RCAGSOYIKVEZOW-STECZYCISA-N 402.970 5.056 0 40 HKAB Cc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)c1 136520701 MNRJSTJHKFIQKZ-XOMBCNSKSA-N 417.508 5.419 0 40 HKAB C[C@H](CCc1ccccc1Cl)NC(=O)c1cc(-c2ccnn2C)nc2ccccc12 141545898 NJSJPBXKKCTFCV-MRXNPFEDSA-N 418.928 5.040 0 40 HKAB CCOc1ccccc1-c1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 141554659 DWLJGHBBHXBBEX-UHFFFAOYSA-N 400.522 5.995 0 40 HKAB CCOc1ccc(-c2cnc(NCc3ccc(OC)c(OC)c3)n2C[C@@H](C)CC)cc1 199421408 GARWANYFPSPLGB-SFHVURJKSA-N 423.557 5.624 0 40 HKAB Cc1cccc(CN2C(=O)S/C(=C/c3cccc(Oc4ccccc4)c3)C2=O)c1 214623276 QCAKTZIQGDRILQ-PXLXIMEGSA-N 401.487 6.024 0 40 HKAB CCc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)C)c2)cc1 224228366 RPZPJFWFRBRIPN-UHFFFAOYSA-N 403.522 6.212 0 40 HKAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1cc(C)cc(C)c1C 224279425 GJRJVRLUPICZJV-UHFFFAOYSA-N 419.477 5.180 0 40 HKAB COc1ccc(C(=O)NCCC2=CCCCC2)cc1CSc1ccc(Cl)cc1 224345284 PSPGRKIVIPYBJN-UHFFFAOYSA-N 415.986 6.261 0 40 HKAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1CSc1ccc(C)cc1 224660327 UNMWGNVZXYGCEO-UHFFFAOYSA-N 405.563 5.659 0 40 HKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 224827926 UTPXUIAMHFDNDN-DVECYGJZSA-N 419.565 5.676 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225108448 NNPZZTUCTFRCBA-HXUWFJFHSA-N 406.507 5.032 0 40 HKAB CCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCC[C@H](C)C1 225716241 BUHRMUPLMATFAI-OFVILXPXSA-N 416.606 5.111 0 40 HKAB COc1ccc(C2(NC(=S)Nc3ccc(Br)cc3F)CCCC2)cc1 225861033 FNTPWLVPXNRVPH-UHFFFAOYSA-N 423.351 5.353 0 40 HKAB Clc1ccc(Cc2nnc3sc(-c4ccc(-c5ccccc5)cc4)nn23)cc1 226300201 RQMQQWPEBABQAR-UHFFFAOYSA-N 402.910 5.764 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC=C(/C=C\c5ccccc5)[C@@]4(C)CC[C@H]32)C1 245239116 FLDVEKQSXXBPDV-WFNPQSARSA-N 418.621 7.211 0 40 HKAB COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1cc(Cl)ccc1C 408556791 LNTBHDUVESSFLQ-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB CCCCOc1ccc(C(=O)/N=c2\sc(CC)c(-c3ccccc3)n2CC)cc1 408561572 JVBQQLIKPBGUAF-IZHYLOQSSA-N 408.567 5.719 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc3c(ccc4ccccc43)o2)sc2c1CCCC2 408630023 MKCQFQLYBOXVJF-UHFFFAOYSA-N 419.502 5.955 0 40 HKAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cc(Cl)ccc1Cl 408668530 MAWJDLQARYESRS-UHFFFAOYSA-N 416.260 5.581 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 408695045 OHJHDNOIZDONHL-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408975617 BHVNCSCDXQCLAB-MRXNPFEDSA-N 419.488 5.211 0 40 HKAB CCCCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(Cl)cc1 409112831 DHXUXZIKTPXJSJ-UHFFFAOYSA-N 407.004 6.254 0 40 HKAB CCc1ccccc1NCc1cc(Br)ccc1OCc1ccccc1F 409118005 PSESUBYMBFOUFA-UHFFFAOYSA-N 414.318 6.342 0 40 HKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)nc1-c1ccc(F)cc1 409194813 MYVKLODIDNTEJC-UHFFFAOYSA-N 424.541 6.120 0 40 HKAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O 409245154 ODCVJAIHOYRZBK-LICLKQGHSA-N 423.271 5.014 0 40 HKAB O=C(c1ccc(Cl)c(F)c1)N1CCC[C@@]2(CCCN2Cc2cccc(F)c2)CC1 585100408 QZCHTGIBWSQTFR-HSZRJFAPSA-N 418.915 5.279 0 40 HKAB Cc1ccc(Cl)c(OC[C@]2(O)CCCN(Cc3ccc(C(C)C)cc3)CC2)c1 585270972 DBJIDIHZRCBUDW-DEOSSOPVSA-N 401.978 5.568 0 40 HKAB C[C@H]1CCCN(S(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccc(Cl)cc2)C1 606422393 WNABTSMSHPNXHH-HNNXBMFYSA-N 416.930 5.083 0 40 HKAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1CCn1ccc2ccccc21 1547212343 IMAUSEVVXHJKCT-UHFFFAOYSA-N 400.507 5.027 0 40 HKAB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)cc1Cl 854644 ZEMWGIWFXXRHLC-VUUXHMSQSA-N 413.904 5.219 0 40 HKAB Cc1cc(C)c2cc(CN(C(=S)Nc3ccc(F)cc3)C3CCCC3)c(=O)[nH]c2c1 874990 LTXYVIKNBAPLON-UHFFFAOYSA-N 423.557 5.426 0 40 HKAB COc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2cccnc2)cc1 876562 AEZKOFFVQSAIST-UHFFFAOYSA-N 408.914 5.284 0 40 HKAB CCOc1ccc(NC(=O)c2c(O)nnc(-c3ccccc3)c2-c2ccccc2)cc1 938269 CQLXUEDDCNXSAJ-UHFFFAOYSA-N 411.461 5.167 0 40 HKAB CCOc1ccc(-c2csc(NC(=O)COc3ccc(C)cc3C(C)(C)C)n2)cc1 948256 YBCWXMNPHAITLJ-UHFFFAOYSA-N 424.566 5.832 0 40 HKAB CCOC(=O)c1nn(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)c1ccccc1 1016754 SXKWCDLLXOGOMP-UHFFFAOYSA-N 414.436 5.086 0 40 HKAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1ccccc1Br 1339966 SJERFUIGMFSLDS-UHFFFAOYSA-N 415.356 5.599 0 40 HKAB Cc1sc(Nc2ccccc2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C 1355506 QHNNRKSMEOPXCJ-UHFFFAOYSA-N 405.567 6.187 0 40 HKAB O=C(Nc1ccccc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 1383335 MYMPIJVBLUGSTL-UHFFFAOYSA-N 404.438 6.296 0 40 HKAB COc1ccc([C@@H](Nc2ccccn2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 1580476 ZGYUEKDQJPSILA-XMMPIXPASA-N 418.581 6.592 0 40 HKAB Clc1ccc(-c2nc(NC3CCCCCCCCCCC3)c3ccccc3n2)cc1 1912241 BQUCLRSZYVKXIP-UHFFFAOYSA-N 422.016 8.035 0 40 HKAB Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccccc3C)c2c1 2079777 MJHKCTHORDOIKC-UHFFFAOYSA-N 400.909 6.733 0 40 HKAB COc1ccc(Nc2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)cnn23)cc1 2208843 ZQTCEYBHBVZVES-UHFFFAOYSA-N 406.917 6.099 0 40 HKAB Cc1ccc([C@@H](OP(=O)(Oc2ccccc2)Oc2ccccc2)C(F)(F)F)cc1 3202756 GIAMOMOTUPOEGC-HXUWFJFHSA-N 422.339 6.881 0 40 HKAB Cc1c(C(=O)NCC2(N3CCCCC3)CCCCC2)oc2c1ccc1ccccc12 3455363 QCCHONZWLKYMLJ-UHFFFAOYSA-N 404.554 5.813 0 40 HKAB COCCOc1cc(-n2ccnc2SCc2ccccc2)c(Cl)cc1Cl 4024064 GIYYBAUOTSDCDT-UHFFFAOYSA-N 409.338 5.497 0 40 HKAB Cc1ccc([C@]2(CCNCc3ccc(OC(C)C)cc3)CCO[C@@H](C(C)C)C2)cc1 4043145 XCCHMKUUKILYOF-KAYWLYCHSA-N 409.614 6.035 0 40 HKAB biogenic Cc1ccc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccc(F)cc2)cc1 4263076 IXAFYHQLYQMAJG-FQEVSTJZSA-N 410.539 5.666 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C[C@@H](C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4293025 MHYKVQQPBSKDET-LHXJBBJWSA-N 418.706 6.830 0 40 HKAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccc(C)cc3)c2c1 4610389 PZTOALDBKKMRCS-UHFFFAOYSA-N 400.909 6.678 0 40 HKAB Cc1ccccc1C1=N/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)O1 4617019 FHHOTZQTVQVFAB-STZFKDTASA-N 403.865 5.572 0 40 HKAB CC[C@]1(C)C[C@](CCN(Cc2ccccc2)C(C)=O)(c2ccccc2OC)CCO1 4811437 MQQLQGMWZQZRPZ-CLJLJLNGSA-N 409.570 5.351 0 40 HKAB Cc1nc2ccc(Nc3ncnc4scc(-c5ccc(Cl)cc5)c34)cc2s1 4867068 MOPJEDPWQKRQBY-UHFFFAOYSA-N 408.939 6.673 0 40 HKAB COc1cccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccccc2F)c1 5348151 VDBDVRJHTRCDLR-UHFFFAOYSA-N 405.450 5.329 0 40 HKAB C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccccc1 5866947 MDNUTHDIYMXPNF-MRXNPFEDSA-N 410.543 5.013 0 40 HKAB COc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)cc1OC 6182221 ZIEWGLSYPWQPDM-MOSHPQCFSA-N 407.516 5.263 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccccc4C)c3)nc2c1 6440212 DOZWLOMIFWQBHZ-QGZVFWFLSA-N 414.505 6.334 0 40 HKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2cccs2)n(C[C@@H]2CCCO2)c1C 6665131 YBMGKLKPWKRZQH-INIZCTEOSA-N 420.538 5.141 0 40 HKAB Cc1ccc(-n2cnnc2SCC(=O)N[C@H](C)c2cccc3ccccc23)c(C)c1 7098161 XMQCJSXTKXIUEQ-GOSISDBHSA-N 416.550 5.007 0 40 HKAB O=C(CCc1c[nH]c2ccccc12)Nc1nnc(SCc2ccc(F)cc2)s1 7687926 WNFWJHOZQJRQMK-UHFFFAOYSA-N 412.515 5.022 0 40 HKAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)OCc2cccs2)cc1 7784414 RYCSIEIGSHVSSL-UHFFFAOYSA-N 405.544 6.133 0 40 HKAB Cc1c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)sc2ccccc12 7960677 KVOCSAILNJJMIS-UHFFFAOYSA-N 402.523 5.447 0 40 HKAB Cc1cccc(Oc2ccccc2NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1 8343600 CKTHYFVSMLFRBY-IBGZPJMESA-N 406.507 5.092 0 40 HKAB Cc1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cs2)cc1 8427869 OUPUNFCDOFOHQW-UHFFFAOYSA-N 406.507 5.341 0 40 HKAB COc1ccc(CCNCc2cccc(OC)c2OCc2ccc(Cl)cc2)cc1 8474504 MWPGNOVGMYXXLJ-UHFFFAOYSA-N 411.929 5.269 0 40 HKAB O=C(COCc1cc(-c2cccs2)on1)Nc1cc(C(F)(F)F)ccc1Cl 8831031 JXMAELSAXQIQLF-UHFFFAOYSA-N 416.808 5.231 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)c4cccc(C)c4OC)ccc3o2)cc1OC 8903853 HOWGRIHOOUIFNR-UHFFFAOYSA-N 418.449 5.081 0 40 HKAB Cc1ccc(OCc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)c(C)c1 9066079 ZABBOGNOJCFPOX-UHFFFAOYSA-N 423.325 5.685 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3c(C)cc(C)cc3C)c2C)cc1 10357508 LUKPQRKCRKKMGU-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 12226328 VXQXXSYKTOECEF-UHFFFAOYSA-N 414.786 5.028 0 40 HKAB O=Cc1cn(-c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)nc1-c1ccncc1 12568330 QDKJPNLYOZOEHO-UHFFFAOYSA-N 411.852 5.010 0 40 HKAB CC(=O)c1cc(Cl)ccc1OCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 12810178 QUWVEPMEXZLUAR-OAQYLSRUSA-N 417.889 5.028 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)/C=C/c3cccs3)c2)c1C 14405429 OCTNXHSATSCALK-VAWYXSNFSA-N 422.554 5.266 0 40 HKAB Cc1ccc(-c2ccsc2C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)cc1 14635043 ODOHQUBVCCMFPD-UHFFFAOYSA-N 419.333 5.399 0 40 HKAB CCOc1ccc(CCNC(=O)C2c3ccccc3Oc3ccccc32)cc1OCC 15320992 XCLGEYKKVFMSEY-UHFFFAOYSA-N 417.505 5.081 0 40 HKAB O=C(c1cccc(Br)c1)N1CCC[C@H](c2nc3ccccc3s2)C1 15697268 DPVNSMYJHKDOTI-AWEZNQCLSA-N 401.329 5.079 0 40 HKAB O=S(=O)(Oc1cc(Cl)c(Cl)cc1Cl)c1cc(Cl)ccc1Cl 16035422 YFXGJPWXZVRDCM-UHFFFAOYSA-N 406.501 5.721 0 40 HKAB O=C(c1cccs1)N1CCC(c2nc(-c3ccsc3)cc(C(F)(F)F)n2)CC1 19342634 NTWFMVAZVKJMJB-UHFFFAOYSA-N 423.485 5.305 0 40 HKAB O=C(C1CC1)N1CCCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 19343861 WSHBILANOPZVEF-YQQAZPJKSA-N 424.492 5.069 0 40 HKAB CC(C)COP(=O)(OCC(C)C)[C@@H](NCc1ccccc1)c1ccccc1F 20131265 SJOMLCCZEGWWRA-JOCHJYFZSA-N 407.466 6.152 0 40 HKAB CC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccccc1 20457275 KZUDYECZRGWKAT-GOSISDBHSA-N 404.348 5.393 0 40 HKAB COc1ccc2nc(C)c(C(=O)N3CCc4sccc4[C@@H]3c3cccs3)cc2c1 25876818 BLUYBBNYAQRORA-JOCHJYFZSA-N 420.559 5.463 0 40 HKAB Cc1nc2ccccc2nc1SCC(=O)N(C)C(c1ccccc1)c1ccccc1 28190980 WOVUMQGNFINCSQ-UHFFFAOYSA-N 413.546 5.278 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCCc1ccc(OC(C)C)cc1 30867193 RJKFTAXEBTVXGA-DEOSSOPVSA-N 405.538 5.533 0 40 HKAB O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1cccc(Cl)c1Cl 31967642 LAZIVPFQWHNVDJ-UHFFFAOYSA-N 400.187 5.450 0 40 HKAB Cc1ccc(NC(=O)[C@H]2CC(O)=Nc3c(C)c(-c4ccc(Cl)cc4)nn32)c(C)c1 32096514 XMXOWWDGJBVAIL-GOSISDBHSA-N 408.889 5.300 0 40 HKAB CC1=C(C)C[C@](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)(c2ccccc2)[S@](=O)C1 36497005 FLFUPAMWVHIQBX-REYYBFNMSA-N 402.600 5.375 0 40 HKAB CCn1nc(C)c2c(C(=O)N[C@@H]3CCCc4ccccc43)cc(-c3ccc(C)cc3)nc21 36613202 CZEMHSIIGDLXFS-HSZRJFAPSA-N 424.548 5.542 0 40 HKAB COc1ccc(Cc2nnc(SCc3cc(-c4ccc(Cl)cc4)no3)o2)cc1 45327664 PAYZZOOTILIJOQ-UHFFFAOYSA-N 413.886 5.270 0 40 HKAB CCOc1ccc(-c2cc3c(SCc4cc(C)ccc4C)nccn3n2)cc1Cl 45925438 UPNQRYHCVMOBFV-UHFFFAOYSA-N 423.969 6.358 0 40 HKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccccc3Br)c2c1 46086120 QFTWWQNZIUNEFX-UHFFFAOYSA-N 402.288 5.935 0 40 HKAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C(F)(F)F)cc2)n1 67296804 LGRFJYWZZGJTEX-SLMZUGIISA-N 423.394 5.640 0 40 HKAB CC(C)c1ccc(Sc2ccc([C@H](C)N(C)C(=O)c3ccc[n+]([O-])c3)cc2F)cc1 72285204 DDOWMEBHMSSDKH-KRWDZBQOSA-N 424.541 5.567 0 40 HKAB CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(F)cc1 107042644 VLVGOXKHVGSRGB-UHFFFAOYSA-N 415.892 6.078 0 40 HKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccccc1-c1ccccc1 107975693 SUUQJZVZMLBXFG-UHFFFAOYSA-N 406.510 6.883 0 40 HKAB CCOc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1Cl 223273691 IJOZRDRNDXJAKL-UHFFFAOYSA-N 418.773 5.709 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1Cc1ccco1 223360905 YMCXUQBZVDYQRO-FGZHOGPDSA-N 401.491 5.107 0 40 HKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C(C)C 223380436 IJXLFLXSQVIMAQ-GOTSBHOMSA-N 404.583 5.254 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)Cc2cccc(Br)c2)cc1C(C)C 223389994 UQBJIRFDXJULJW-OAHLLOKOSA-N 404.348 5.309 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccc(OC)cc1 224597700 JFYDSPATKJJCFW-UHFFFAOYSA-N 419.521 6.049 0 40 HKAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 224610702 GSJPCEIRYVNUAS-XZOQPEGZSA-N 418.566 5.271 0 40 HKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 225069416 UNOICXPJQVSFEA-RUZDIDTESA-N 420.597 5.184 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)CSCc3ccccc3Cl)ccc21 225131704 GSYHYRMHJRENAB-UHFFFAOYSA-N 406.960 5.169 0 40 HKAB Fc1cc(Br)ccc1NC(=S)NCCCSCc1ccccc1 225598126 BSRVNDQKSPGCIF-UHFFFAOYSA-N 413.381 5.198 0 40 HKAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225641692 XFADBSFEMNXLOC-LBPRGKRZSA-N 413.768 5.165 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)c2ccccc2CCc2ccccc2)c2ccccc2O1 225733719 ITMQANZZZRHTKH-RUZDIDTESA-N 413.561 6.284 0 40 HKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225824190 VPHYMKDWJVGXHI-FQEVSTJZSA-N 413.602 6.823 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)cc1F 390825998 XEKAWQHMAUWVCQ-UHFFFAOYSA-N 422.456 6.016 0 40 HKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1 408677024 PJPMGTVVZNUUDA-UHFFFAOYSA-N 423.299 6.043 0 40 HKAB COc1cc(Cl)c(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)cc1OC 408807885 IFYWDSUCDVPAFE-UHFFFAOYSA-N 424.329 5.082 0 40 HKAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 409095713 IIVUPHCBGLHMCN-UHFFFAOYSA-N 419.525 5.688 0 40 HKAB COc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1 409180152 PTKXYCWZJBPVQZ-UHFFFAOYSA-N 416.502 5.650 0 40 HKAB Cc1cccnc1CN1CCC[C@@H]1c1csc(NC(=O)c2cccc(Cl)c2)n1 585272730 MLLWGQXKEMAEKK-LJQANCHMSA-N 412.946 5.089 0 40 HKAB C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1cccc2ccccc12 641868413 CRECTSHZJZTKKH-IBGZPJMESA-N 418.500 5.579 0 40 HKAB CCN1CCCCN(C(=O)CC(C)(C)C)[C@@H](CC(C)C)COc2ccccc2C1=O 643582628 BQCYPAJRBBNIKU-FQEVSTJZSA-N 416.606 5.001 0 40 HKAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccccc3Br)o2)c1 645119 NQHLEIAVCVVBRM-UHFFFAOYSA-N 403.301 5.091 0 40 HKAB CC(C)Cc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)c3ccccc3n2)cc1 648586 FIEQFOPMPLCCAI-UHFFFAOYSA-N 412.577 6.721 0 40 HKAB O=C(NCCc1ccccc1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 728196 OHNUDMGPUOZNAL-UHFFFAOYSA-N 418.500 5.036 0 40 HKAB CCc1ccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 800252 PGLNMMDLCRWFHV-SFHVURJKSA-N 424.488 5.006 0 40 HKAB CCOc1ccc2nc(SCC(=O)Nc3ccc(Br)cc3)sc2c1 827190 GJLNRBGYTJWABI-UHFFFAOYSA-N 423.357 5.188 0 40 HKAB O=C(c1ccccc1F)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2)cs1 932786 KBEUPUNKDLLRQN-MRXNPFEDSA-N 416.905 5.428 0 40 HKAB CC(C)c1ccc(NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)cc1 998455 GOYBWGLRNSOKIN-UHFFFAOYSA-N 404.293 6.541 0 40 HKAB COc1cc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c(OC)cc1Cl 1311745 OGCAXLBDKFLKOP-SNAWJCMRSA-N 416.688 5.325 0 40 HKAB COc1ccccc1NC(=S)NCC[C@H]1[C@@H](c2c(C)[nH]c3ccccc23)C1(C)C 1404494 SZVVNAMIEFMNIP-JTSKRJEESA-N 407.583 5.601 0 40 HKAB FC(F)(F)c1cc(-c2ccccn2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 1415825 NAVICYROTUNASK-UHFFFAOYSA-N 406.820 5.730 0 40 HKAB Cc1ccc(-c2ccc(OC(=O)c3cccc(I)c3)cc2)cc1 1846310 RUBCJYMQPJTKFV-UHFFFAOYSA-N 414.242 5.486 0 40 HKAB CCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3c(C)n(C)c4ccccc34)c12 2094561 HHQMUFRJKUVVPF-UHFFFAOYSA-N 403.478 5.116 0 40 HKAB biogenic Cc1ccc(NC(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)c(Cl)c1 2095949 RJVIMYLBZWBEBO-UHFFFAOYSA-N 419.864 5.439 0 40 HKAB biogenic CCCC(=O)N(c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)c(CC)s1 2170660 YZEACCBSIAOJCX-UHFFFAOYSA-N 402.922 6.630 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1F 2449576 MKJCGPJXOHAJJQ-UHFFFAOYSA-N 418.497 5.113 0 40 HKAB CSc1ccccc1C(=O)Nc1ccc(Br)cc1Br 2626739 DSCQIPKOQKIZBD-UHFFFAOYSA-N 401.123 5.186 0 40 HKAB FC(F)(F)c1ccccc1Nc1nc(-c2ccc3c(c2)-c2ccccc2C3)cs1 2647094 CLSKIGGRTLCRRH-UHFFFAOYSA-N 408.448 7.144 0 40 HKAB CCCCCOC(=O)c1c(N)n([C@H](C)c2ccccc2)c2nc3ccccc3nc12 3222184 URRCLLJAQRSENB-MRXNPFEDSA-N 402.498 5.123 0 40 HKAB CCOc1ccc(S(=O)(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)cc1 3230416 MZOPOGWZZIAVIB-UHFFFAOYSA-N 410.539 5.433 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](N[C@@H]1CCCc2ccccc21)c1ccccc1 3351659 LFKBKQKEYPIDKA-RCZVLFRGSA-N 400.522 5.432 0 40 HKAB O=C(Nc1ccc(OC(F)F)cc1)c1cc(-c2cccs2)nn1-c1ccccc1 3359791 JMAALIDKZKCWML-UHFFFAOYSA-N 411.433 5.455 0 40 HKAB CC[C@@](C(=O)O[C@H]1C[C@H](C)CC[C@@H]1C(C)C)(C(=O)c1ccccc1)c1ccccc1 3846429 WIASCYIKGZAQQR-WFRMBSLRSA-N 406.566 6.221 0 40 HKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 4073978 KYOFIJXMVNQYFC-VFSHPGAUSA-N 412.702 8.233 0 40 HKAB biogenic CCn1c(SCc2cccc(C)c2)nnc1-c1cc2c(s1)-c1ccccc1CC2 4091917 PGCMQAKGQOPVGN-UHFFFAOYSA-N 417.603 6.393 0 40 HKAB CCOc1ccc([C@H]2CC(=O)n3nc(C4C5CC6CC(C5)CC4C6)nc3S2)cc1 4184994 RCFYZOHBOPKVHL-HQFHRNBSSA-N 409.555 5.094 0 40 HKAB CCOC(=O)C1CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 4600487 BHGVEIUTEXVTKL-UHFFFAOYSA-N 417.958 5.048 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1CCc1ccccc1 4698394 ZSILRCUXELWBGM-UHFFFAOYSA-N 403.831 6.396 0 40 HKAB CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1c(Cl)cccc1Cl 5033064 PRUWMCDBKSNGLJ-NIYFSFCBSA-N 416.285 5.471 0 40 HKAB COc1ccc2sc(N(Cc3cccnc3)C(=O)/C=C/c3cccs3)nc2c1 5142294 WQOSGBJHOROPNE-VQHVLOKHSA-N 407.520 5.008 0 40 HKAB Cc1ccc(N2COc3c(Cl)cc4c5c(c(=O)oc4c3C2)CCCC5)cc1Cl 5158043 JQSORFGTMMNQFA-UHFFFAOYSA-N 416.304 5.644 0 40 HKAB CCSc1ccc(C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)cc1 5241593 AIYDUCSGQXOWGZ-UHFFFAOYSA-N 400.525 5.192 0 40 HKAB CCOc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2)cc1OCc1ccccc1 6155244 DPBUVPPVXNVIAK-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)NCc2ccccc2Cl)c(C(C)C)c1 6307352 IOTDCMHCUSVDOJ-UHFFFAOYSA-N 408.007 6.189 0 40 HKAB CSCC[C@H](NC(=O)Cc1ccc(-c2ccccc2)cc1)c1nc2ccccc2[nH]1 6567058 DIIUUSYZKONEPG-QHCPKHFHSA-N 415.562 5.383 0 40 HKAB Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)s2)c1 6787345 WRKHJSSVTNYPLE-ZIAGYGMSSA-N 416.547 5.087 0 40 HKAB Cc1cccc(-c2noc(CN(C)C(=O)CC(c3ccccc3)c3ccccc3)n2)c1 7759770 VGYIXVNSNNFBRL-UHFFFAOYSA-N 411.505 5.226 0 40 HKAB CCc1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 7939788 SHWRHBRAODLHCX-UHFFFAOYSA-N 410.473 5.260 0 40 HKAB CCCOc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 8071565 LDBLQLMAVXHGCB-UHFFFAOYSA-N 414.299 5.428 0 40 HKAB CCOc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OC 8253631 ORCXEIFHZYDRSE-HIGJEIRPSA-N 422.407 5.551 0 40 HKAB Fc1cccc(Cl)c1-c1nnc(-c2cc(-c3ccncc3)nc3ccccc23)o1 8705292 WOLZIGGRHIUNBR-UHFFFAOYSA-N 402.816 5.806 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CN1c1ccc(Cl)cc1 8755772 NLHDDRMWSBLKCJ-KRWDZBQOSA-N 419.887 5.398 0 40 HKAB CCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc(Cl)cc1 9139495 XVNSXEIZNAOMOC-UHFFFAOYSA-N 414.962 5.356 0 40 HKAB COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccc(F)cc2Cl)cc1O 9358342 CHHXBKZRQMEZOX-UHFFFAOYSA-N 424.859 5.829 0 40 HKAB Fc1ccc(-n2nc(-c3ccc(Br)cc3)c3cnc4ccccc4c32)cc1 9676065 UNWZVBBYSYJHMB-UHFFFAOYSA-N 418.269 6.142 0 40 HKAB O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1c[nH]c(=S)n1-c1ccccc1 10322254 PMNLXCBRSVHYRD-UHFFFAOYSA-N 411.490 5.102 0 40 HKAB Clc1ccc(OCc2nnc3sc(-c4cc5ccccc5[nH]4)nn23)c(Cl)c1 12408265 HBRBMTKDKSVMFO-UHFFFAOYSA-N 416.293 5.220 0 40 HKAB CC(=O)c1cccc(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)c1 12985553 QOLQPWBUSVKFFT-UHFFFAOYSA-N 400.887 5.139 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)[C@H](C)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 13098010 BVHIJKZERDRUSN-PXNSSMCTSA-N 409.574 5.023 0 40 HKAB COc1ccc(Cl)cc1-c1nnc(SC(c2ccccc2)c2ccccc2)n1N 14129438 QCBOBYZKZTZZAG-UHFFFAOYSA-N 422.941 5.203 0 40 HKAB CN(C(=O)COc1ccc(Cl)cc1)[C@H](c1cccs1)c1c[nH]c2ccccc12 15835532 QSCSRXQEOUPBGV-QFIPXVFZSA-N 410.926 5.510 0 40 HKAB CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)c(O)c1 17088959 YCFFPEDAPBXEGQ-UHFFFAOYSA-N 411.527 5.211 0 40 HKAB COC(=O)C[C@H](c1ccccc1)[C@@H](SCc1ccccc1)[C@@H](O)c1ccccc1 17111702 CYKNIQPTNMENKI-PZUNEJSGSA-N 406.547 5.369 0 40 HKAB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)NCc1ccc(C(=O)O)cc1 20150937 CAMHQSFBAYECLC-PKNBQFBNSA-N 416.260 5.281 0 40 HKAB COc1ccc2c(c1)CCCN2C(=O)c1c(-c2c(F)cccc2Cl)noc1C 24874713 PDGROXQVUSSRJQ-UHFFFAOYSA-N 400.837 5.044 0 40 HKAB Cc1cc(C)cc(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)cc3)c3ccccc23)c1 28535385 MIBAGJILCNOTGX-UHFFFAOYSA-N 417.896 5.435 0 40 HKAB COc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1OC 30861974 ADKGWSHFALDZCL-GOSISDBHSA-N 421.562 5.796 0 40 HKAB Cc1ccc(-c2csc(-n3c(NC(=O)[C@@H](C)Oc4ccccc4)cnc3C)n2)cc1 32616148 ZXKWUFFNQFLGGN-MRXNPFEDSA-N 418.522 5.019 0 40 HKAB COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@@H]21)C3 35459254 CNEWEMXPRRKCTL-LAXOWTJVSA-N 402.575 5.452 0 40 HKAB biogenic,in-vitro C[C@@H](c1nc2scc(-c3cccs3)c2c(=O)[nH]1)N1CC=C(c2ccccc2)CC1 57470683 YVNVDHSARFTVCB-HNNXBMFYSA-N 419.575 5.563 0 40 HKAB COc1ccc(C[C@@H]2CCCN2C(=O)CCc2ccc(-c3ccccc3F)o2)cc1 69930451 FNBINDXKKPGXQI-IBGZPJMESA-N 407.485 5.261 0 40 HKAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72214676 VPPHPPZONTUSKV-QGZVFWFLSA-N 405.539 5.305 0 40 HKAB CC(=O)N1CC[C@@H](c2c(C(=O)N3CCC4(CCCCC4)C3)sc3ccccc23)C1 72352591 RGWRIBGCWDTMFG-GOSISDBHSA-N 410.583 5.034 0 40 HKAB C[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)c1cc(F)ccc1N1CCC(O)CC1 78656536 AEUAUSVFJXUDQE-LLVKDONJSA-N 417.834 5.027 0 40 HKAB CCOC(=O)C1=C(C)N=C2C(=C(O)c3ccccc32)[C@@H]1c1ccccc1Br 103591729 PXHRTXFKQYACOF-GOSISDBHSA-N 424.294 5.155 0 40 HKAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc(Cl)c1O 106684601 SVIOAVGFGUUQQG-SXGWCWSVSA-N 424.305 5.334 0 40 HKAB COC(=O)CCCCCOc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 118088279 FMNCZZCJRWXURF-UHFFFAOYSA-N 417.716 6.551 0 40 HKAB C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4C[C@H](O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 123215245 ZOOSXBKBOJXIDR-XRSVSMEASA-N 416.646 5.794 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1OC 215119365 CILOIOGZAAUZPM-VCHYOVAHSA-N 421.877 5.123 0 40 HKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 216451441 VAGLEXZYWPVPID-AHRSHGDUSA-N 403.566 6.259 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 219238504 UBJHGPYOOZQIBJ-XXBNENTESA-N 406.570 5.259 0 40 HKAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1OCC 222928645 GBXQEVLZRYRFCY-OAQYLSRUSA-N 413.558 5.255 0 40 HKAB COc1cc(C)c([C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1C(C)C 223305445 YOETVBQQBDCNMV-CYBMUJFWSA-N 416.370 5.473 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3)c2)cc1 224198623 AJBGUTLGFKMZLS-UHFFFAOYSA-N 417.549 6.486 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)c1 224247089 XGGGOMUVSQZHKU-RPWUZVMVSA-N 411.530 5.827 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccccc1C 224378957 AOMIFDCICLCMJO-UHFFFAOYSA-N 418.493 5.183 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)CC)cc1COc1ccc(-c2ccccc2)cc1 224550944 PADDRSVOHQJRMR-LJQANCHMSA-N 403.522 5.860 0 40 HKAB Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)cc1C 224694823 IWMYXASOAXLUAK-QFIPXVFZSA-N 420.597 5.021 0 40 HKAB CCOC(=O)c1cccc(NC(=S)NCCSCc2ccc(Cl)cc2)c1C 225303457 GWLFSNPPDBWPNC-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NC3CCCCCC3)c2)cc1 225353862 WOOYGHMCARWGEX-UHFFFAOYSA-N 408.611 6.224 0 40 HKAB CC(C)Oc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225588644 ZYCUNXSDQSTRQN-UHFFFAOYSA-N 404.913 5.117 0 40 HKAB COc1ccc(C(=O)N2CC[C@]3(Cl)CCCC[C@H]3[C@H]2c2ccccc2)cc1OC 245227281 JKAIHNBLNWWOSE-BPUDTRNYSA-N 413.945 5.459 0 40 HKAB C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(OCc3ccccc3)c(CN3CCCC3)cc1OC2(C)C 257283043 OWOGENKQGODQSG-RTGAMMJTSA-N 421.581 5.889 0 40 HKAB Fc1ccc(CNC(=S)c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408572705 HTSQVWHKRGQALJ-UHFFFAOYSA-N 420.336 6.177 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc1OC 408623274 SAFDFJZQEGHQDA-UHFFFAOYSA-N 405.494 6.227 0 40 HKAB O=C(Oc1ccc2ccccc2c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408657696 IWCLHYKEEBLAPS-OAHLLOKOSA-N 400.261 5.105 0 40 HKAB Cc1cc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)n2CC(C)C)c(C)c1 409117363 OHSHIOXUFXMDPB-UHFFFAOYSA-N 422.598 5.181 0 40 HKAB Cc1c(Cl)cccc1NCc1ccc(OCc2ccccc2)c(Br)c1 409131334 IXLGJLGJYLBFMP-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)[C@@H]21)c1ccccc1 409373986 WJOHIRJIOFEECP-RSQMYVMBSA-N 417.508 5.749 0 40 HKAB O=C(Nc1ccccc1Cl)Nc1ccccc1C(=O)Nc1ccccc1Cl 871743 XKUCLRIVBXYVMN-UHFFFAOYSA-N 400.265 5.890 0 40 HKAB COc1cccc(C(=O)CSc2ncnc3scc(-c4ccc(F)cc4)c23)c1 882458 SYYXGIIHFPIGKC-UHFFFAOYSA-N 410.495 5.481 0 40 HKAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 900878 ZAZDFAJAGBAUDB-CQSZACIVSA-N 417.456 5.590 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)cc1 1221518 ISIUFBNCAYWBAM-UHFFFAOYSA-N 420.582 5.413 0 40 HKAB COc1ccc(CSc2nc(C)cc(C)c2S(=O)(=O)c2ccc(C)cc2)cc1 1403472 KUTVTVLBBIZDJI-UHFFFAOYSA-N 413.564 5.141 0 40 HKAB Cc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)cc1 1413930 AASJOKHVJDDEBB-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB CCCC(CCC)C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C(C)C)cc1)CC2=O 2228355 DPWVNXYWGVVYNS-FQEVSTJZSA-N 407.558 5.668 0 40 HKAB COc1ccc(C)c(-n2c(=S)[nH]c3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)c1 2635303 CKROMFPMQCXZIS-ZDUSSCGKSA-N 414.596 5.578 0 40 HKAB CC(=O)Nc1ccccc1O[C@@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 2643532 YZHBVIAMTZQQPH-VIFPVBQESA-N 401.677 5.011 0 40 HKAB COc1ccccc1OCc1ccc(-c2nc3c4c(C)c(C)sc4ncn3n2)cc1 2791509 IWEXOFFFZMBHJM-UHFFFAOYSA-N 416.506 5.210 0 40 HKAB Cc1c(-c2ccccc2)nn(OCc2ccc(Cl)c(Cl)c2)c1-c1ccccc1 3051247 AXKXDMCHBVKCTN-UHFFFAOYSA-N 409.316 6.461 0 40 HKAB Cc1ccc(C)c(-n2c(S[C@@H]3CCCCC3=O)nnc2-c2ccccc2Cl)c1 3263273 ZXFFZLRUXNPUIW-HXUWFJFHSA-N 411.958 5.808 0 40 HKAB Cc1ccc(Nc2nnc(SCc3ccc(Br)cc3)s2)c(C)c1 3314432 DAQBYEMXXXCIAB-UHFFFAOYSA-N 406.374 5.953 0 40 HKAB COc1ccc(-c2c(C)c3cc(OC(=O)c4ccc(C)cc4)ccc3oc2=O)cc1 4340732 BKJHYOQEFAMANA-UHFFFAOYSA-N 400.430 5.305 0 40 HKAB biogenic Cn1cc([C@@H]2C(c3ccccc3)=NN=C(c3ccc(Cl)cc3)N2O)c2ccccc21 4406279 KNZIVZFGCUJVSS-HSZRJFAPSA-N 414.896 5.429 0 40 HKAB Cc1cc(OC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c(C(C)C)cc1Cl 4659234 DNDGKURDFDMRHS-SFHVURJKSA-N 420.936 6.712 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccccc2[C@H](c2ccccc2)c2ccc(C)o2)cc1 4808948 SIRMIMUOBOIFAJ-VWLOTQADSA-N 417.530 5.877 0 40 HKAB CNC(=S)N1N=C(c2ccc(C)cc2)C[C@H]1c1cc2ccc(C)cc2nc1Cl 5602604 ZVIRKWMRZUTIQW-FQEVSTJZSA-N 408.958 5.160 0 40 HKAB CCn1c(S[C@H](C)C(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 5937389 SRLMVPGXURJNSS-GFCCVEGCSA-N 406.338 5.635 0 40 HKAB Cc1cc(Br)cc(Br)c1NC(=O)c1ccc(Cl)cc1 6202593 MKXNBFLOZRXNSS-UHFFFAOYSA-N 403.501 5.426 0 40 HKAB CCN1C(=O)/C(=C/c2cc(F)c(N3CCCC3)cc2C)SC1=Nc1ccccc1 6246627 FZWATVRSXKMZPW-XOLKAKTPSA-N 409.530 5.358 0 40 HKAB Cc1ccc(-c2csc(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)n2)cc1 6561462 CUDPSOSMZQKNIH-UHFFFAOYSA-N 417.490 5.525 0 40 HKAB CC1CCN(C(=S)c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)CC1 6777552 BMSBIXFRXPENNC-UHFFFAOYSA-N 412.357 6.119 0 40 HKAB CCn1c(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccccc1OC 6905333 IFPWBKMQGSKYML-HNNXBMFYSA-N 420.538 5.127 0 40 HKAB CCOc1c(Cl)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 6958028 XDMNOJQHNULPJR-OQLLNIDSSA-N 411.672 5.143 0 40 HKAB Cc1ccc(NC(=O)Cc2nc(CN3CCC(Cc4ccccc4)CC3)cs2)cc1 7788090 FOSXDHALCSVNIR-UHFFFAOYSA-N 419.594 5.087 0 40 HKAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(-c4ccccc4)cc3)CC2=O)cc1Cl 7928639 OTNVATGUKKLAQN-LJQANCHMSA-N 405.881 5.274 0 40 HKAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1sccc1-c1ccccc1 8329164 VHQCYSMQZRGSKU-UHFFFAOYSA-N 414.534 5.652 0 40 HKAB O=c1c(-c2nc3ccccc3[nH]2)c(Cl)c2cc(Cl)ccc2n1Cc1ccccc1 8715802 SYGOKQXPKMWHLK-UHFFFAOYSA-N 420.299 5.900 0 40 HKAB CC1=C(C)[C@@H](Nc2cccc(C(F)(F)F)c2)N([C@H](C)CCc2ccccc2)C1=O 9113665 VFGKZQCEBFNUTJ-VFNWGFHPSA-N 402.460 5.643 0 40 HKAB COc1cccc(NC(=O)[C@@H](Sc2nnc(-c3ccoc3C)o2)c2ccccc2)c1 12600980 OZJAHOKMEMQVFF-IBGZPJMESA-N 421.478 5.119 0 40 HKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1c(F)cccc1Cl 14399910 DPCIXCHPYTYARH-OAHLLOKOSA-N 423.981 5.594 0 40 HKAB Cc1cc(C)c2oc(C(=O)N(Cc3cccc(Cl)c3)c3ccccn3)cc(=O)c2c1 15669869 MPSUHIREAKSKHQ-UHFFFAOYSA-N 418.880 5.305 0 40 HKAB CCOCCCNc1nc(Nc2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1 17306903 VRAGEQRKXPDJGH-UHFFFAOYSA-N 422.920 5.051 0 40 HKAB CC(C)(C)C(=O)N1CCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19081323 KDTMBLDUPPTNQI-HXUWFJFHSA-N 419.504 5.131 0 40 HKAB CC(C)Oc1ccc(CNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 20043431 UERYSLDOTPJIIX-UHFFFAOYSA-N 421.562 5.575 0 40 HKAB CCOc1ccc(NC(=O)Nc2c(C)nn(Cc3c(F)cccc3Cl)c2C)cc1 20176847 ZVPWTDLOZMOTEG-UHFFFAOYSA-N 416.884 5.383 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccs2)N2CCOCC2)c1C 20193566 XBIOKJWOWDTWMO-HXUWFJFHSA-N 412.580 5.100 0 40 HKAB Cc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2NCc2ccccc2)cc1 20382370 GUQUEEJGOROKDT-UHFFFAOYSA-N 422.937 5.642 0 40 HKAB COc1c(C)cccc1C(=O)Nc1cccc(-c2nc3cc(C(C)C)ccc3o2)c1 21146951 ZTORUEMBWUEBHI-UHFFFAOYSA-N 400.478 6.188 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)c4ccc(OCC(C)C)cc4)ccc3o2)c1 21579396 RCAPBGIVWPHHKV-UHFFFAOYSA-N 416.477 5.791 0 40 HKAB Cc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)cc1 21882560 XWCRRCMXVAZKPP-HNNXBMFYSA-N 423.582 5.015 0 40 HKAB O=C(Nc1ccccc1-c1nc(-c2ccccn2)no1)c1ccc(Cl)c(Cl)c1 22458913 LHNWYJSTWGNTJO-UHFFFAOYSA-N 411.248 5.358 0 40 HKAB O=C(Nc1ccccc1F)c1nc(SCc2ccc(Cl)cc2)ncc1Cl 27664170 ZCXLDWATZNNLEF-UHFFFAOYSA-N 408.285 5.467 0 40 HKAB COc1ccc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC 30854096 VDTFMFOGVRDSMW-UHFFFAOYSA-N 405.825 5.107 0 40 HKAB O=C(CSc1nc2ccccc2o1)N[C@H](c1ccccc1)c1cc2ccccc2o1 32848605 XFCSVDPFOWLZEN-HSZRJFAPSA-N 414.486 5.572 0 40 HKAB O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C/c1ccc(Cl)cc1Cl 35647480 XTICKYAZSZHUOM-LHHJGKSTSA-N 401.677 5.678 0 40 HKAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 40056828 UENYZXVCWKNGLH-CYBMUJFWSA-N 401.388 5.021 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccc(OC(C)C)cc1 44948648 WKCYOPHVXCFUHC-RUZDIDTESA-N 405.538 5.533 0 40 HKAB CC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 58155310 TYEYNTNWDGGWTD-DOXZYTNZSA-N 418.459 5.143 0 40 HKAB CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(F)cc2)cc1 59498058 VKVWBUYKCQPSHV-DEOSSOPVSA-N 404.485 6.166 0 40 HKAB O=C(Nc1nccs1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)cc1F 67294940 YFUPAZBZMULGHQ-MOHJPFBDSA-N 417.824 5.306 0 40 HKAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cccc(Cl)c3C)oc12 67299107 WDXWCJWXFPBFKE-RWEWTDSWSA-N 422.868 5.159 0 40 HKAB Cc1ccc2cc(C(=O)Nc3cc(F)ccc3NC(=O)OC(C)(C)C)c(C)nc2c1 71795702 OJNDJJGOGHSCIZ-UHFFFAOYSA-N 409.461 5.590 0 40 HKAB O=C(C(c1ccccc1)c1ccccc1)N(CCc1cccs1)Cc1ccco1 77183961 PNSCUNHBJHNURM-UHFFFAOYSA-N 401.531 5.745 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 96248319 WNWIHJWESKCFLP-HNNXBMFYSA-N 421.975 5.371 0 40 HKAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2NC(c1ccccc1)(c1ccccc1)c1ccccc1 100367363 RDWRBYXTTMJESU-INNMJMHTSA-N 409.573 5.962 0 40 HKAB CCCc1ccc(-c2nc(N3C(=O)[C@H]4[C@@H]5CC[C@H](C5=C(C)C)[C@H]4C3=O)sc2C)cc1 100970309 AXVSKANOWZGUET-UKAVVXHISA-N 420.578 5.553 0 40 HKAB Cc1cc2c(cc1C)-c1c(ss/c1=N/c1ccc(C)c(Cl)c1)C(C)(C)N2 101501290 HFYORQRSLZUFKW-BSYVCWPDSA-N 401.000 6.948 0 40 HKAB CC(C)(C)C1CCC2(CC1)Nc1ccccc1-c1nc(=O)c(-c3cccs3)nn12 101875843 RLXNAXZZLMLPFH-UHFFFAOYSA-N 406.555 5.348 0 40 HKAB C[C@H](C(=O)NCCC1=CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1 222764540 QCSWMEAEZCFALJ-JOCHJYFZSA-N 418.581 5.043 0 40 HKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 224202798 CKHPATVQEKVOTE-GFCCVEGCSA-N 422.000 5.603 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225178277 CERAMXBCBRYSHB-MRXNPFEDSA-N 412.555 5.482 0 40 HKAB COc1cccc(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)c1 257305971 SSHVXZAFFYRVPI-QFIPXVFZSA-N 424.928 5.224 0 40 HKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)c(Cl)c2)S1 260778132 RCLDOPKBIPWPQT-SMHULIPUSA-N 412.921 5.254 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408617646 CXKAXRWZXGZEHX-UHFFFAOYSA-N 423.299 6.043 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408619435 IIKRMJBSTFNTEN-UHFFFAOYSA-N 423.299 6.043 0 40 HKAB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C1=O 409076022 WPQHTHMOKFCIFT-LICLKQGHSA-N 422.333 5.937 0 40 HKAB O=C1NCCc2ccccc2[C@H](c2ccccc2)N1C1CCN(C2CCCCC2)CC1 1615530117 QNSPBWHFLPHOMI-SANMLTNESA-N 417.597 5.141 0 40 HKAB c1cc(Nc2nccs2)nc([C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)c1 2037834777 MYZAJHOYKCCMKP-LJQANCHMSA-N 401.539 5.210 0 40 HKAB COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)cc1 670698 RDVYQQKYRJOQMS-UHFFFAOYSA-N 410.473 5.558 0 40 HKAB Cc1ccc(-c2csc3ncn([C@H](C)C(=O)OCc4ccccc4)c(=O)c23)cc1C 952342 PMQPMIOXEXWHND-QGZVFWFLSA-N 418.518 5.046 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1sc2nc3c(cc2c1N)C(=O)CC(C)(C)C3 1303727 GWRNBDIQMJEKAV-UHFFFAOYSA-N 413.930 5.248 0 40 HKAB CCC(C)(C)Nc1c(-c2ccc(NC(=O)c3cccs3)cc2)nc2ccccn12 1347585 YOQGJCPYGCOJEC-UHFFFAOYSA-N 404.539 5.916 0 40 HKAB C/C(Cl)=C/CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 1818405 NZCANRGMXPANCM-JYRVWZFOSA-N 418.031 6.552 0 40 HKAB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(Br)cc1C)C3 2113508 IOLPVTUOCWGBLB-UHFFFAOYSA-N 414.299 5.173 0 40 HKAB biogenic Cc1ccc([C@]2(C)CC(C)(C)N(S(=O)(=O)c3ccccc3)c3ccccc32)cc1 2371892 LHNNDXWDEYNWKT-VWLOTQADSA-N 405.563 5.679 0 40 HKAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(C)cc1 2399083 MEDJNWGRYCQXAY-OUTSHDOLSA-N 408.482 5.812 0 40 HKAB O=C(Nc1ccc2c(c1)CCC2)c1oc2ccccc2c1CSCc1ccccc1 2653155 OVGCKRSTXNYZOI-UHFFFAOYSA-N 413.542 6.607 0 40 HKAB O=C1S/C(=C2/SC(=O)N(c3ccccc3)C2=S)C(=S)N1c1ccccc1 2711568 IZMJDYXGDXFWCX-BUHFOSPRSA-N 414.558 5.600 0 40 HKAB C[C@@H]1C[C@@H](C)CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C1 2713967 ALZDHBBYPLYFCI-QZTJIDSGSA-N 400.501 5.709 0 40 HKAB O=C(NCCSc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12)c1ccccc1 2721232 HZVWRDKQIRCHAM-UHFFFAOYSA-N 406.938 6.010 0 40 HKAB CCCc1ccc(OCc2ccc(C(=O)Nc3ccccc3C(=O)OC)cc2)cc1 2756387 XWEYECDRHMRHRB-UHFFFAOYSA-N 403.478 5.257 0 40 HKAB Cn1nc(CSc2ccc(Cl)cc2)c(CSc2ccc(F)cc2)c1Cl 3105814 SORITBMNLJVDLM-UHFFFAOYSA-N 413.370 6.451 0 40 HKAB Cc1ccc(Cl)c(NC(=O)COC(=O)C2(c3ccccc3F)CCCC2)c1Cl 3225120 KWHVWJWRXFLMED-UHFFFAOYSA-N 424.299 5.435 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)CCc1ccccc1 4061532 HHSXYDOROIURIP-HCQMQIOBSA-N 420.593 6.063 0 40 HKAB biogenic COc1ccc(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)cc1 4071245 WGASIKLLEIGTGI-UHFFFAOYSA-N 414.486 5.302 0 40 HKAB Cc1ccc2nc(N(CCN(C)C)C(=O)c3cc(Cl)sc3Cl)sc2c1 4359111 MVZKGXVAQIXGRS-UHFFFAOYSA-N 414.383 5.181 0 40 HKAB Cc1ccc2nc(Nc3nc(C)c(Cc4cccc5ccccc45)c(=O)[nH]3)nc(C)c2c1 4702836 MICAEQQZOBYAQT-UHFFFAOYSA-N 421.504 5.126 0 40 HKAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@@H]1c1ccc(OC)cc1 4816874 KIMPHEXPKUOECP-NHCUHLMSSA-N 424.932 5.198 0 40 HKAB CC[C@H]1CCCCN1c1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12 4980460 YGINDWQACPQIGK-NRFANRHFSA-N 400.501 5.971 0 40 HKAB CC(=O)Nc1ccc(Nc2cc(C(C)(C)C)nc3c(-c4ccccc4)c(C)nn23)cc1 5245070 NZDSLUURZGFPCI-UHFFFAOYSA-N 413.525 5.704 0 40 HKAB CCCN1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 5296806 AAKKBDRKAVVXOV-JOCHJYFZSA-N 409.961 5.394 0 40 HKAB Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccsc2)c(C)c1 5482784 ZWAJIXMWCILXFH-HSZRJFAPSA-N 404.535 5.103 0 40 HKAB COc1ccc(C2=Nc3ccc(C(C)C)cc3C(c3cccs3)=NN2)cc1OC 5977365 YZMYKSALJWIHFW-UHFFFAOYSA-N 405.523 5.323 0 40 HKAB Cc1nc2nc(SCC(=O)c3ccc4ccccc4c3)[nH]c2cc1Br 6000532 VCUNNYXZPGAOFL-UHFFFAOYSA-N 412.312 5.157 0 40 HKAB Cc1ccc(-c2nc(COC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)cs2)cc1 6053995 HZTIFHOIBJHLJI-NRFANRHFSA-N 409.507 5.033 0 40 HKAB COc1ccc(Nc2ccc3c(=O)c(-c4ccc(OC)c(OC)c4)coc3c2)cc1 6672489 ZYRQKKHHNJCWDK-UHFFFAOYSA-N 403.434 5.229 0 40 HKAB biogenic COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=S)Nc1ccccc1F 6714411 VNTTZZHGLJYWSO-UHFFFAOYSA-N 409.486 5.204 0 40 HKAB Clc1ccc(CN2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1 6881382 ICPXNKBKMKDBBI-UHFFFAOYSA-N 414.940 5.272 0 40 HKAB CN(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)[C@H]1CCCc2ccccc21 7327924 FAMKWGRPMSLOFH-FQEVSTJZSA-N 401.535 5.161 0 40 HKAB Clc1ccccc1COc1ccc2ccccc2c1CNC1CCCCCCC1 7522711 DECUYADEHXXUSG-UHFFFAOYSA-N 407.985 7.275 0 40 HKAB CCOc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OC 8253632 ORCXEIFHZYDRSE-XSXQVXRUSA-N 422.407 5.551 0 40 HKAB CCOc1ccc(OCC)c(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c1 8389808 RIBDWAGZKKKIAR-UHFFFAOYSA-N 418.852 5.492 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ncccn2)c2ccccc2)c1C 8548591 KVVVCYGXWUERAD-NRFANRHFSA-N 414.534 5.609 0 40 HKAB CCN(Cc1cccs1)C(=O)CSc1nnc(-c2ccccc2)c2ccccc12 8719486 VKAZWOLTUPZWRA-UHFFFAOYSA-N 419.575 5.499 0 40 HKAB O=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1cc(C(F)(F)F)ccc1Cl 8770016 PXIVQLMNUBRCTP-UHFFFAOYSA-N 411.836 5.480 0 40 HKAB Cc1ccc(-c2cc(OC(=O)c3oc4ccccc4c3C)cc3sc(=O)oc23)cc1 9430744 HZYYYYKAVGJWJO-UHFFFAOYSA-N 416.454 6.104 0 40 HKAB COC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(C)cc2)[nH]c2ccccc12 10058909 JXFSPDRTHWDYGF-CRICUBBOSA-N 424.500 5.250 0 40 HKAB Cc1cc(Nc2cc(Cl)cc(Cl)c2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 10493456 NRTBZBTUGZGBRT-UHFFFAOYSA-N 417.727 6.717 0 40 HKAB Cc1cc(NCc2ccccc2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 10493579 WXOROOPWNYRTRI-UHFFFAOYSA-N 416.834 5.989 0 40 HKAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(C(F)(F)F)cc2)cc1 12693693 CRWNWWUQHHSYQI-UHFFFAOYSA-N 412.411 5.196 0 40 HKAB Cc1nc(-c2ccco2)nc2sc(C(=O)Nc3cccc4ncccc34)c(C)c12 12983695 GZHJENXLNBCSRU-UHFFFAOYSA-N 400.463 5.369 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(C)cc1 14082293 WWHXKLMDCIIACC-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB O=C(Cn1cc(C(=O)COc2ccccc2)c2ccccc21)Nc1ccccc1Cl 14135944 HSYIVBJYYIRLQP-UHFFFAOYSA-N 418.880 5.195 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)/C=C/c2ccccc2)c1C 14405565 BZNWTBYSCMDAKR-FOCLMDBBSA-N 416.525 5.204 0 40 HKAB CCCc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc(F)cc1 14406388 DWPGUYUAWFAXNO-UHFFFAOYSA-N 419.319 5.917 0 40 HKAB O=C(Nc1ccc(Oc2ncnc3sc4c(c23)CCC4)cc1)c1ccccc1Cl 15131427 SYQSLJPLTAGJFP-UHFFFAOYSA-N 421.909 5.878 0 40 HKAB O=C(CSc1nc2ccccc2nc1O)N1c2ccccc2Sc2ccccc21 16545189 OCDSMTNOWVMXJN-UHFFFAOYSA-N 417.515 5.257 0 40 HKAB CCCCc1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 17090121 HLTAFYXCZJLYOL-UHFFFAOYSA-N 414.760 6.624 0 40 HKAB COc1ccc(OC)c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 17091324 PUDINBMKPBEZDP-UXBLZVDNSA-N 418.276 5.923 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1cccnc1Cl 17091646 GPGCBWKIMSHYLO-UHFFFAOYSA-N 418.667 6.102 0 40 HKAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1nc2c(C)cc(C)cc2s1 17092775 PAWPKXGJFAKUEK-UHFFFAOYSA-N 421.547 5.202 0 40 HKAB Fc1ccccc1[C@H]1CC(C(c2ccccc2)c2ccccc2)=Nc2ccccc2S1 17195444 DTDNGKVZYFPYFW-HHHXNRCGSA-N 423.556 7.967 0 40 HKAB OCCn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N\c1cccc(Cl)c1 17206682 IYUTVBJCNSVXRQ-BZZOAKBMSA-N 406.938 5.762 0 40 HKAB O=C(N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl)OCc1ccccc1Cl 19228908 FVRVXUPKTDFHIC-HNNXBMFYSA-N 422.139 5.052 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 20246656 VKDGPWRKFXRYRX-UHFFFAOYSA-N 400.265 5.890 0 40 HKAB O=C(/C=C/c1ccccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20509496 LVEKLFONNZHJRA-FOCLMDBBSA-N 416.952 5.287 0 40 HKAB Cc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)cc1 21882561 XWCRRCMXVAZKPP-OAHLLOKOSA-N 423.582 5.015 0 40 HKAB CN1CCc2nc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)sc2C1 23607834 IYARRLASVXRVMS-UHFFFAOYSA-N 417.456 5.069 0 40 HKAB CCOc1cccc(C(=O)NC[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)c1 27744547 NCEWEZIJJXIBRG-QHCPKHFHSA-N 414.505 5.137 0 40 HKAB O=C(c1sc2ccccc2c1Cl)N(Cc1ccco1)c1cccc(Cl)c1 27989638 GLNKQHTWAAEZDP-UHFFFAOYSA-N 402.302 6.648 0 40 HKAB COc1ccc(CSCc2nc(-c3cccc(Br)c3)no2)cc1F 32778713 XECFVRJPQZFNAM-UHFFFAOYSA-N 409.280 5.080 0 40 HKAB CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N[C@@H](C)c1ccc(F)cc1F 32932183 WWHFPNIWYXHWTH-NSHDSACASA-N 417.456 5.082 0 40 HKAB Cc1ccc(NC(=O)COc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)cc1 33327300 VBKBVVQFUVXXBN-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1ccc(COc2ccc(F)cc2)cc1 36612016 DQLHQKMQCGBWCP-UHFFFAOYSA-N 421.859 5.496 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)cc1 49005079 AVKYULXFRAJKON-SFHVURJKSA-N 404.514 5.095 0 40 HKAB Cc1ccc(Cn2c(SCc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 67259470 WXEVAINZVMGQPR-UHFFFAOYSA-N 406.938 5.699 0 40 HKAB CN(c1ccccc1)c1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72214289 FPAFZEOHUDPGDN-HSZRJFAPSA-N 401.510 5.713 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(SC3CCCCC3)nc2)cc1 72217251 PGMPWZZMQJSPJF-NRFANRHFSA-N 416.612 5.341 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 72358018 CRQWIRNAVRCJED-VWLOTQADSA-N 413.496 5.199 0 40 HKAB CC(C)(C)c1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccc(F)cc3)C4)n2)cc1 97077656 JOILAFKHICJTCF-HXUWFJFHSA-N 418.472 5.308 0 40 HKAB CC(C)c1cccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c1 98072951 BWCVUYGCXRUONP-UHFFFAOYSA-N 422.266 5.392 0 40 HKAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccccc2-c2nc3ccccc3s2)CCC[C@H]1C 102249782 ZTZXEWQQNLXIIA-GJYPPUQNSA-N 422.550 5.061 0 40 HKAB COc1ccc(OC)c([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3onc(C)c32)c1 102729069 FCYXDLYOANEAGA-HJPURHCSSA-N 416.477 5.608 0 40 HKAB O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc(Oc2ccccc2)cc1 216400522 OSUBBNCRPZBFEO-UHFFFAOYSA-N 415.514 5.547 0 40 HKAB CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(C)c(C)c1 218877885 XLUULCHGBKNRHV-HXUWFJFHSA-N 418.375 5.836 0 40 HKAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCc1cccc2ccccc12 222680371 GWCVKEIUSXUHEB-UHFFFAOYSA-N 405.885 5.134 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1 222715431 JHUWICYOKIYLSF-UHFFFAOYSA-N 405.144 5.628 0 40 HKAB CC[C@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc2c(c1)CCCC2 223135088 XQDSLVIFFBBFJR-NRFANRHFSA-N 405.966 5.859 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1Cc1ccccc1 223393567 JJJUDIUMIGTZOE-DNQXCXABSA-N 416.594 5.561 0 40 HKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(CN2CCc3ccccc3C2)cc1 223416483 AHDKTYRQVKHYJU-UHFFFAOYSA-N 418.540 5.749 0 40 HKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 223792755 KGQQSSCYOWBXDT-FCHUYYIVSA-N 420.582 5.214 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NCC(C)C)cc1 224659836 NHKWIQSQKGDQAG-RUZDIDTESA-N 422.613 5.070 0 40 HKAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)N[C@H](C)c2ccc(Cl)cc2)n1 225205510 ZAOWBWMKKBZTCM-CYBMUJFWSA-N 415.925 5.369 0 40 HKAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cccc(OCc2ccccc2Cl)c1 225780389 CRLRIJLNFYUSSW-UHFFFAOYSA-N 420.896 5.298 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2cccc(Cl)c2)c1 408693739 CUFFFXDPYNCQIB-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2cc(Cl)ccc2C)cc1 408699176 VGEZFBMYMQOGSL-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CC(=O)O[C@@H](C(=O)CC(C)C)/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)cc1O 514288313 SKUHMSDGVDBXSV-NCWISZJMSA-N 402.531 5.168 0 40 HKAB biogenic,in-vitro COC1(COc2cccc(Cl)c2)CCN(C[C@]2(O)CC[C@@H](C(C)(C)C)CC2)CC1 585285080 CEFGSMKTMYYGEZ-OKDJAKQTSA-N 424.025 5.167 0 40 HKAB Cc1cc(C)cc(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1 626741 OIJHHYORHPFPCD-IBGZPJMESA-N 413.348 6.191 0 40 HKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCc3ccccc3F)cc12 1249405 IDHMGYMPFLUHNQ-UHFFFAOYSA-N 420.436 6.003 0 40 HKAB biogenic CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)NC3CCCCC3)cc2c1 1327142 RGOSYFOTKFUBCJ-UHFFFAOYSA-N 423.582 5.197 0 40 HKAB Cc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)c3ccccc3)cc2c1 1367672 QUDYXPVQIPTPNJ-UHFFFAOYSA-N 406.938 6.101 0 40 HKAB COc1ccccc1Oc1coc2cc(OCc3ccccc3Cl)ccc2c1=O 1448087 OISVZWABHPGJHB-UHFFFAOYSA-N 408.837 5.826 0 40 HKAB biogenic Cc1ccc(S(=O)(=O)N2c3ccc(C)cc3[C@](C)(c3ccccc3)CC2(C)C)cc1 1895990 JHVYITMLHFSSMS-SANMLTNESA-N 419.590 5.987 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)/C=C/c1ccc(C)cc1 1946057 TYAMLZIHIGHSQB-ACCUITESSA-N 419.546 6.169 0 40 HKAB CCc1sc(-c2cc3ccc(OC(C)=O)cc3oc2=O)nc1-c1cc(C)ccc1C 2072302 OVSDVUTXPJUSRF-UHFFFAOYSA-N 419.502 5.688 0 40 HKAB c1ccc(-c2nc3c(c(N4CCOCC4)n2)C2(CCCCC2)Cc2ccccc2-3)cc1 2157267 JUYINCIEKQLOLC-UHFFFAOYSA-N 411.549 5.405 0 40 HKAB COc1ccc(-c2c3c(nc4sc(C(C)=O)c(N)c24)-c2ccccc2C3)cc1OC 2212683 POKDWFCSOUBFBP-UHFFFAOYSA-N 416.502 5.337 0 40 HKAB O=C1Nc2ccc(Br)cc2[C@@H](c2ccccc2Cl)[C@@H]1N1CCCCC1 2352720 WADJIXHIJZUNAV-MOPGFXCFSA-N 419.750 5.041 0 40 HKAB CCCCCOC(=O)c1c(N)n(-c2ccc(CC)cc2)c2nc3ccccc3nc12 2417132 AUDBIJXETGUQHV-UHFFFAOYSA-N 402.498 5.065 0 40 HKAB O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)c1c(F)cccc1F 3111095 YEAVGJQRSFJXQT-UHFFFAOYSA-N 420.278 6.131 0 40 HKAB O=C1CSC2=NC3=C(CCC/C3=C\c3ccc(F)cc3)[C@H](c3ccc(F)cc3)N12 3196875 XOOSTEJKJADOIS-KFGZODLXSA-N 408.473 5.473 0 40 HKAB O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ccc(C(F)(F)F)cc1 3235791 OMZGIYVXSJXJNT-UHFFFAOYSA-N 413.804 5.369 0 40 HKAB COc1cccc(/C=C(/C(=O)OCC(=O)c2cc3ccccc3o2)c2ccccc2)c1 3324014 SZEUEWYTWUAVEL-PXLXIMEGSA-N 412.441 5.408 0 40 HKAB C[C@@H]1CCc2c(sc3ncnc(Oc4ccc(C(=O)c5ccc(F)cc5)cc4)c23)C1 3327905 AZPSTOSOYSJGSM-CQSZACIVSA-N 418.493 5.979 0 40 HKAB O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2Cl)N1c1ccc(F)c(Cl)c1 3667542 SUAAJRMEJUQPOS-IBGZPJMESA-N 421.686 6.557 0 40 HKAB O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCC2 4150914 JUDYKQJRQYNRQJ-UHFFFAOYSA-N 410.926 5.324 0 40 HKAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 4176789 LJPKRQGYSWNQIA-AREMUKBSSA-N 420.516 5.545 0 40 HKAB Cc1ccc2sc(N(CCN(C)C)C(=O)c3cccc4ccccc34)nc2c1C 4359382 JKIGOTWBCHSIJP-UHFFFAOYSA-N 403.551 5.275 0 40 HKAB CCCc1cc(C(=O)Nc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)no1 4881263 CBJGSYZQJIGJAJ-UHFFFAOYSA-N 407.301 5.048 0 40 HKAB COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(SC)cc2)c1 5253223 PSQQZIFLRYPCME-ISKFKSNPSA-N 402.519 5.659 0 40 HKAB CCC1=C[C@H]([C@H](O)CC(C)C)[C@@](C)(Cc2ccc(CC)cn2)N[C@H]1c1ccccc1 5389727 JPFMXPYYRABPJC-FPCALVHFSA-N 406.614 5.649 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccc(C(C)(C)C)cc1 5500688 KKIPCBGWVJKFOM-UHFFFAOYSA-N 412.534 5.132 0 40 HKAB Cc1ccc2c(CSc3nnc(Nc4ccccc4F)s3)cc(=O)oc2c1C 6206896 SHHIYIQRIPPHBQ-UHFFFAOYSA-N 413.499 5.436 0 40 HKAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)c1ccc(Cl)s1 6587372 FHAQMBFCKYGBSF-UHFFFAOYSA-N 402.953 6.048 0 40 HKAB O=C(NCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)C1CCCCC1 6752578 ZQBWWBHJYIFTIJ-UHFFFAOYSA-N 413.924 5.116 0 40 HKAB COc1cc(C(=S)N2CCCCC2)c(Br)cc1OCc1ccccc1 8206517 RIKCTSFZBPUXFD-UHFFFAOYSA-N 420.372 5.198 0 40 HKAB Cc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2cccc(Cl)c2)cc1C 8476950 PWNQTTKSBMLMBU-UHFFFAOYSA-N 416.912 5.135 0 40 HKAB CCOc1cccc2cc(C(=O)Nc3sccc3-c3nc4ccccc4s3)oc12 9134153 QXCBBRCKBCZKNT-UHFFFAOYSA-N 420.515 6.422 0 40 HKAB CC(C)c1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@@H](/C=C/c1ccccc1)C3 10156954 DFZBLHVDTMKLGG-KQDNUWKFSA-N 408.505 5.373 0 40 HKAB CCCOc1ccccc1NC(=O)c1cc(-c2cccs2)nc2c1cnn2CC 11240372 VBNYMDZAHDOXCS-UHFFFAOYSA-N 406.511 5.221 0 40 HKAB CC(=O)c1ccc(OCCCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 12585742 IHVSUNAUJQJZFQ-LJQANCHMSA-N 401.506 5.593 0 40 HKAB COc1ccc(-c2cc(CNC(=O)C3(c4ccc(Cl)cc4)CCCC3)no2)cc1 12638186 WTWDWWAIWUBBQK-UHFFFAOYSA-N 410.901 5.132 0 40 HKAB COc1ccc(-c2noc(CN(C(=O)Nc3ccccc3)C3CCCCC3)n2)cc1 12654037 FOZGVJNNANQWOS-UHFFFAOYSA-N 406.486 5.112 0 40 HKAB CN(C(=O)CSc1ncnc2ccsc12)C(c1ccccc1)c1ccccc1 12939924 WAWQDLDAWHPMND-UHFFFAOYSA-N 405.548 5.031 0 40 HKAB COc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3-c3nc4ccccc4n32)cc1 13714571 MWBIAKLXCKQCEP-NDEPHWFRSA-N 417.512 6.279 0 40 HKAB CC(=O)NCc1ccc(-c2nc(Nc3cccc(Br)c3)sc2C)s1 14103757 NKROWHVKTCZOFW-UHFFFAOYSA-N 422.373 5.322 0 40 HKAB CC(=O)C[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 16757922 IZTQXHAPWWZDEK-INIZCTEOSA-N 421.953 6.201 0 40 HKAB COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)/C=C\c2ccccc2)c1 16960473 RGRUGVOAUMIVPS-PFONDFGASA-N 412.445 5.346 0 40 HKAB CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 17091573 PTRIDGUAONVUTL-SFHVURJKSA-N 418.562 5.906 0 40 HKAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 17355826 AQDIYFKCVQCPHN-RNXZQOMOSA-N 424.614 5.027 0 40 HKAB Cc1ccc([C@@H](Cc2ccsc2)NCc2cnc(-c3ccccc3C)nc2)nc1 19215636 YMMOJOBTNNVJHS-HSZRJFAPSA-N 400.551 5.291 0 40 HKAB CCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 20969171 NTSLHKGGTSCVJD-UHFFFAOYSA-N 401.491 5.385 0 40 HKAB COc1ccccc1OCCn1c([C@H](C)Oc2cccc(C)c2)nc2ccccc21 21168495 KMXIMDGWVDBJDO-IBGZPJMESA-N 402.494 5.572 0 40 HKAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 27921631 CJFJYYHCFPPUIF-WOJBJXKFSA-N 424.342 5.053 0 40 HKAB Cc1c(-c2cccc(Cl)c2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccccc1Cl 32106563 SPUMZPOMDRYNLM-MRXNPFEDSA-N 415.280 5.337 0 40 HKAB CSc1nsc(SCc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)n1 32117956 ZOUCNEXUCUAIJN-UHFFFAOYSA-N 422.000 5.766 0 40 HKAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)N[C@H](C)c4ccccc4)c(C)c3cc2c1C 33326663 BLDVBMBCYHQYHL-QGZVFWFLSA-N 417.505 5.583 0 40 HKAB Cc1cccc(N2C(=O)/C(=C/c3cccc(Cl)c3Cl)c3ccccc3C2=O)c1 33630976 LCUMUCQSIMFNLN-CPNJWEJPSA-N 408.284 6.029 0 40 HKAB O=c1c2ccccc2nc(SCc2ccccc2C(F)(F)F)n1-c1ccccc1 35563628 DUYMFZCWWCXTLN-UHFFFAOYSA-N 412.436 5.697 0 40 HKAB COc1ccc(CCc2ccncc2)cc1Oc1ccc(CCc2ccncc2)cc1 35973610 XYNGXLWLGUJZRU-UHFFFAOYSA-N 410.517 5.848 0 40 HKAB Cc1cc(C)cc(-c2nnc(SC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)c1 36395320 HGRYGPVLBZYKRV-INIZCTEOSA-N 403.548 5.093 0 40 HKAB CC(C)c1ccccc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 38856729 YALNPBRLAIXRHO-UHFFFAOYSA-N 415.375 5.423 0 40 HKAB COc1ccc([C@H]2CCCCCN2C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1 40005361 NAKRWFPAMRUAEP-RPBOFIJWSA-N 418.537 5.103 0 40 HKAB Cc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1F 46022422 KNBOFRBCILWHSV-UHFFFAOYSA-N 415.559 5.429 0 40 HKAB Cc1cccc(CN(Cc2ccco2)C(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c1 48272823 XTIJSMAIPDEUFO-JPYJTQIMSA-N 402.494 5.025 0 40 HKAB C[C@@H](NC(=O)CN1CCCC[C@@H]1c1nc2ccccc2s1)c1cc2ccccc2o1 57281334 AUWGLUHSDQKTAB-VQIMIIECSA-N 419.550 5.447 0 40 HKAB COc1cccc2cc(-c3nc(-c4ccc(Cl)cc4Cl)cs3)c(=N)oc12 67350779 TVNTXOMBHCGTIT-UHFFFAOYSA-N 403.290 6.018 0 40 HKAB CC(C)(C)OC(=O)Nc1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72214408 YSRBAHYWADYIOH-IBGZPJMESA-N 411.502 5.292 0 40 HKAB CC(C)Oc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1 95471195 GZYNZCQDCKUYGO-UHFFFAOYSA-N 421.516 5.399 0 40 HKAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(-n2cnc3ccccc32)cc1 96861728 DFERCMNNROHDJN-QGOAFFKASA-N 424.529 5.358 0 40 HKAB OC1=C[C@@]2(CCC1)Oc1ccc(Br)cc1[C@H]1CC(c3cccs3)=NN12 101647288 JQRLXQZOWNBHDG-VQIMIIECSA-N 417.328 5.376 0 40 HKAB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1Cl 106972191 GOWDBFNFKHNNHD-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB CC(C)C[C@@H](NC(=O)CCCN1C(=O)c2cccc3cccc1c23)c1ccccc1 219471063 LXZXJNAKSKGDMG-JOCHJYFZSA-N 400.522 5.484 0 40 HKAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222759755 ILTXVGZIDVCUBE-ZWKOTPCHSA-N 404.322 5.251 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1nnc(SCC(C)C)s1 223144500 AMKBRDOULDVTRE-MRXNPFEDSA-N 401.557 5.236 0 40 HKAB COc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1cccc(Cl)c1 224144790 IYNXCOGWMUYCRE-UHFFFAOYSA-N 417.892 6.333 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1C 224275008 NMJFZQOAPKIRIA-LOSJGSFVSA-N 424.573 5.666 0 40 HKAB CCc1ccc(OCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 224329827 YLCLYQPKSRYZPL-UHFFFAOYSA-N 414.549 5.011 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(CN2CCCC2)c1 224636214 CQUIDAGHUCGUFO-DEOSSOPVSA-N 408.586 5.054 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc4c(c3)sc(=O)n4C)cc2)cc1 225023283 VZLKGXXZQMUSDX-UHFFFAOYSA-N 420.559 5.453 0 40 HKAB CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc2ccccc2c1 225048191 DOUDLZMRBPXHAO-UHFFFAOYSA-N 403.503 5.847 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(C(=O)N2CCCCC2)cc1 225338865 UGJAOPFAPINXFM-UHFFFAOYSA-N 405.325 5.191 0 40 HKAB CC[C@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(C)c(C)c1 225711159 AKESGQDQYVZUBN-KRWDZBQOSA-N 411.796 6.157 0 40 HKAB C[C@@H](Sc1nnc2c(n1)[C@@]1(C)CC[C@H]2C1(C)C)C(=O)Nc1cccc2ccccc12 229798495 SSWREBXQUUEKHH-QZSNXIIRSA-N 418.566 5.319 0 40 HKAB CCCCN(CCCC)C[C@@H]1c2cc(Cl)ccc2-c2c(CO)cc(Cl)cc21 256071447 CDTMFDFQQNFAID-JOCHJYFZSA-N 406.397 6.500 0 40 HKAB CCO[C@]1(C(=O)Nc2ccc(OCCCN3CCC[C@@H](C)C3)cc2)CCC[C@H](C)C1 260812617 HXZRBLHJDVOPBD-BPYKYCOYSA-N 416.606 5.111 0 40 HKAB Cc1cccc(N2CCN(C(=O)c3ccc(CSc4ccccc4)cc3)CC2)c1C 408575554 NWYLYMCOKYCHBX-UHFFFAOYSA-N 416.590 5.558 0 40 HKAB COc1c(C)cccc1C(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1Cl 408621772 NULOXYPCAWVZPJ-UHFFFAOYSA-N 403.718 5.091 0 40 HKAB COc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Br 408808340 FAOROZADXVQJDF-ZROIWOOFSA-N 424.703 5.352 0 40 HKAB COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1Br 409051683 FPAYEMUVGGDJAV-UHFFFAOYSA-N 403.301 5.142 0 40 HKAB Cc1cccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)c1 409106359 RNHMQRSMDXSTSP-UHFFFAOYSA-N 407.542 6.688 0 40 HKAB CC[C@@H](C)n1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 409194201 OSUYGIOWDCNFIA-MQMKENTISA-N 410.926 6.507 0 40 HKAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(SCc2ccccc2Cl)n1 409386274 RYAPAWGTWBRLTE-UHFFFAOYSA-N 415.267 6.762 0 40 HKAB Cc1nc(CN2CCC[C@H]2c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)co1 585268744 BXQDUZCJLKGENQ-FQEVSTJZSA-N 424.570 5.326 0 40 HKAB CCn1c(CN2CCC[C@@H](c3cccc(Nc4nccs4)n3)C2)nc2ccccc21 2037834673 BFVTVIQLXYLLSE-QGZVFWFLSA-N 418.570 5.031 0 40 HKAB COc1ccc([C@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCCC2)cc1 935750 RTXMXQHCLOKAFG-OAQYLSRUSA-N 410.539 5.404 0 40 HKAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(F)c(F)c2)cc1 1093965 MOWVDUNHRSJASG-XMMPIXPASA-N 418.443 5.243 0 40 HKAB biogenic O=C(Nc1ccccc1)c1sc(Nc2c(F)cccc2F)nc1-c1ccccc1 1465355 DASXMRDROFCXKH-UHFFFAOYSA-N 407.445 6.084 0 40 HKAB O=c1oc2cc(OCc3ccc(Cl)c(Cl)c3)c(Cl)cc2c2c1CCCC2 1808411 FJVHMEZPHJVXKA-UHFFFAOYSA-N 409.696 6.211 0 40 HKAB Cc1ccc([C@@H](CCN[C@@H](C)c2ccc(Cl)cc2)c2ccc(OC(C)C)cc2)cc1 1819007 BQCMHIUJKMUBKE-KDYSTLNUSA-N 422.012 7.308 0 40 HKAB biogenic C[C@@]12C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]1C2(c1ccccc1)c1ccccc1 2177532 GCWGEOBAZDSDOX-REWPJTCUSA-N 421.418 5.201 0 40 HKAB CC(C)Oc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)cc1 2246811 UEQZJSPIXFAFBW-UHFFFAOYSA-N 424.548 6.004 0 40 HKAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1 2643372 OKVRBAXPMCYQCA-UHFFFAOYSA-N 403.507 5.178 0 40 HKAB CCOc1ccc(-c2nnc3c4cc(F)ccc4n(Cc4ccccc4F)cc2-3)cc1 2688276 ULOYKOAHININBP-UHFFFAOYSA-N 415.443 5.928 0 40 HKAB CCc1ccc(-c2csc(NC(=O)c3csc4ccccc34)c2C(=O)OC)cc1 2768347 JEXINEYXJFXALY-UHFFFAOYSA-N 421.543 6.231 0 40 HKAB Cc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccc(C)cc2)C[C@@H]3C(F)(F)F)cc1 3012816 LNTDTRMXXJKHCL-RBUKOAKNSA-N 414.431 5.413 0 40 HKAB CSc1ccccc1NC(=O)COC(=O)[C@@H](Sc1ccccc1)c1ccccc1 3264759 KCLYZUHFKLRGAX-QFIPXVFZSA-N 423.559 5.424 0 40 HKAB COc1ccc2oc(C(=O)Nc3nc(-c4ccc(Cl)s4)cs3)c(C)c2c1 3282327 NJZVIJJIYVEPJR-UHFFFAOYSA-N 404.900 5.841 0 40 HKAB COc1ccccc1CNC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 3423316 LRJWHGDEFWGNQP-UHFFFAOYSA-N 403.522 5.502 0 40 HKAB Cc1ccc2c(c1)c1c3n2CCN(c2nc(-c4ccc(Cl)cc4)cs2)[C@@H]3CCC1 3623728 KFIHHQMFQPBLST-JOCHJYFZSA-N 419.981 6.624 0 40 HKAB O=C(NCCc1ccccc1)c1c(NC(=S)Nc2ccccc2)sc2c1CCC2 4062406 LNWUAKYRLYGROP-UHFFFAOYSA-N 421.591 5.018 0 40 HKAB CC[C@H](C(=O)Nc1ccc(C)c(NC(=O)[C@H](CC)c2ccccc2)c1)c1ccccc1 4666597 QRIUWSHTVRUFSA-BJKOFHAPSA-N 414.549 6.260 0 40 HKAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 4678277 JWMCNGZAHWTGLW-BGXCPIDJSA-N 412.508 6.375 0 40 HKAB COc1ccc(OC)c([C@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)c1 4785266 LZDLFTBUTODGAA-BUXKBTBVSA-N 400.544 5.345 0 40 HKAB CCCCC(=O)Nc1cc(OCC)c(NC(=O)c2ccc(Cl)cc2)cc1OCC 4817612 JPZONXRDMUYJTK-UHFFFAOYSA-N 418.921 5.518 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2ccc(F)cc2)nc2ccccc12 4906644 RNQXCRZOUGRJCN-UHFFFAOYSA-N 411.263 6.600 0 40 HKAB c1ccc(-c2nn(-c3ccccc3)cc2CSc2nncn2-c2ccccc2)cc1 5277808 DVULFCLZWHHWFW-UHFFFAOYSA-N 409.518 5.412 0 40 HKAB Clc1ccccc1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1 5445426 KTNMMOLQLUGNGE-UHFFFAOYSA-N 404.947 7.148 0 40 HKAB CC(C)CCC[C@H](C)NC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 6255727 LGFWXXVYKLOSKH-KRWDZBQOSA-N 421.589 5.617 0 40 HKAB O=C(Nc1nc2ccccc2n1CCOc1ccccc1Cl)c1ccc(F)cc1 6383167 KPPCTHJEGOQHOD-UHFFFAOYSA-N 409.848 5.160 0 40 HKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)c(OCC)c2)C1=O 6656822 XBLWEFAOGUWTKG-DEDYPNTBSA-N 415.486 5.250 0 40 HKAB Cc1cc(O[C@H](C)C(=O)N(Cc2ccco2)Cc2ccccc2F)cc(C)c1Cl 6747648 KUTJLNXGOVEHQL-QGZVFWFLSA-N 415.892 5.685 0 40 HKAB Cc1cccc(Nc2nnc(S[C@H](C)c3nnc(-c4cccs4)o3)s2)c1 6830476 CSSFAXSFNKGNMT-LLVKDONJSA-N 401.542 5.555 0 40 HKAB Cc1cc(-n2c(C)cc(/C=C3/C(=O)Nc4ccccc43)c2C)ccc1Br 6963729 PGDGTXIHFYVUNP-XDHOZWIPSA-N 407.311 5.658 0 40 HKAB O=C(/C=C/c1nc2ccccc2s1)N1CCC(c2nc3ccccc3s2)CC1 7987799 INYUOVAINPZMML-MDZDMXLPSA-N 405.548 5.325 0 40 HKAB Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-c3cccc(C)c3)c2=S)cc1 8411897 FKQDLTZARPAHGP-UHFFFAOYSA-N 414.534 5.326 0 40 HKAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(-c2cccc(Cl)c2)o1 8496610 YEYVOJUSGUDCJP-UHFFFAOYSA-N 412.902 5.273 0 40 HKAB O=C(c1ccc(Cl)cc1Cl)N1C[C@@H]2CCCN2c2ccc(C(F)(F)F)cc21 8782255 LFSLRFCQEMYRAN-ZDUSSCGKSA-N 415.242 5.641 0 40 HKAB C[C@@H]1CCCCN1C(=O)c1ccc(NCCC(=O)c2ccc(Cl)c(Cl)c2)cc1 8783009 SJQUGOULPDVNJS-OAHLLOKOSA-N 419.352 5.693 0 40 HKAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1 8981771 UUNOBFWYMRSCNY-QGZVFWFLSA-N 420.582 5.062 0 40 HKAB FC(F)(F)CCSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 9222103 XTCBLCBUTMZXHH-UHFFFAOYSA-N 422.863 6.114 0 40 HKAB COc1ccc(C(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccc(C)cc2)cc1 9250052 CZTPVIDXJNRSIS-UHFFFAOYSA-N 420.534 5.243 0 40 HKAB COc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1C 9360852 JVTLIHHMWWCUDU-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)N1CC[C@H]2CCCC[C@H]2C1 9365891 ZLCYZFXYVQRIGQ-QUCCMNQESA-N 417.578 5.428 0 40 HKAB Cc1cccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cc(C)ccc2C)c1 9462297 AZMFNXQLJATXPF-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB Cc1cccc(-c2nnc(CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)o2)c1 9536360 WQCZNBFXTHUFGA-CYBMUJFWSA-N 424.551 5.574 0 40 HKAB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccco4)cc3)nc2c1 10119762 GTUJUMNBSDXNIO-UHFFFAOYSA-N 411.255 5.665 0 40 HKAB O=C(c1cccc(F)c1)N(CCCn1ccnc1)c1nc2ccc(Cl)cc2s1 10381552 GSYHTGDLWKFYJV-UHFFFAOYSA-N 414.893 5.022 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1 10434029 PGJKCJNCSVDQGA-UHFFFAOYSA-N 419.546 6.188 0 40 HKAB O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ccccc1C(F)(F)F 12177716 APFGNCXKTXHNOC-UHFFFAOYSA-N 413.808 5.140 0 40 HKAB O=C(Nc1cccc(OC(F)(F)C(F)F)c1)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 12436492 VBEKPNJXBDYVGD-CCHVVGMOSA-N 405.819 5.440 0 40 HKAB CC(C)CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1 12536645 KAEVUURKTYXOEA-UHFFFAOYSA-N 424.504 5.534 0 40 HKAB O=C(Nc1ccccc1)c1ccc(CNc2ccccc2C(=O)Nc2ccccc2)cc1 12544030 ZAFAYRNXQGCEEO-UHFFFAOYSA-N 421.500 5.803 0 40 HKAB CC(C)c1ccc(C2=Nc3ccc(Br)cc3C(c3cccnc3)=NN2)cc1 12707570 SGXYHECXARJNLH-UHFFFAOYSA-N 419.326 5.401 0 40 HKAB CC[C@@H]1CN=C(N(C(=O)c2ccc(Cl)c(Cl)c2)c2ccc(C(C)=O)cc2)S1 12804261 REIMECBSEGBPOF-MRXNPFEDSA-N 421.349 5.724 0 40 HKAB O=C(Nc1nc(SCc2ccc(Cl)cc2)n[nH]1)c1ccc(C(F)(F)F)cc1 12978815 WLMVOTMKOFTIQY-UHFFFAOYSA-N 412.824 5.022 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)c(C)c1 13372396 GLTVUGPZFKYISC-UHFFFAOYSA-N 421.327 7.078 0 40 HKAB COc1cc(CNC(=O)N2c3ccccc3Sc3ccccc32)cc(OC)c1OC 13574636 JONHBPYPHPTDQA-UHFFFAOYSA-N 422.506 5.225 0 40 HKAB COc1ccc(-c2coc3c4c(ccc3c2=O)OCN(Cc2ccc(C)cc2)C4)cc1 13693145 HOGQFQOUNNQMAY-UHFFFAOYSA-N 413.473 5.129 0 40 HKAB biogenic COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc(OC)c1OC 13777407 SVJFFUHNFVDESD-UZUQRXQVSA-N 422.506 5.016 0 40 HKAB Cc1cccc(C(=O)Nc2ccccc2C(=O)NC(c2ccccc2)c2ccccc2)c1 13988154 GVNDBJJNDFYBTO-UHFFFAOYSA-N 420.512 5.767 0 40 HKAB Cc1nn2c3c(nnc2c1-c1ccc(Cl)cc1)C(=O)C[C@@H](c1cccc(Cl)c1)C3 14164759 ZKRHUSYYUWJKQX-HNNXBMFYSA-N 423.303 5.319 0 40 HKAB O=C1C[C@H](c2ccc(OCc3ccc(F)cc3)cc2)c2c(sc3c2CCCC3)N1 15085028 HKKOXVOYXUMUDP-HXUWFJFHSA-N 407.510 5.819 0 40 HKAB CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4cc(Cl)ccc4O)cc3)c2O1 15881179 FGAMEWVVLLPQKH-UHFFFAOYSA-N 423.896 5.590 0 40 HKAB Cc1cccc(-c2nc3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3o2)c1 17091357 BZMWIXULNBXUHS-UHFFFAOYSA-N 418.321 5.751 0 40 HKAB Clc1ccc(Oc2ccc(Nc3ncnc4c3cnn4-c3ccccc3)cc2)cc1 18180276 XRIVMMLJUQCRBD-UHFFFAOYSA-N 413.868 6.005 0 40 HKAB Cn1cc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2)n1 19290074 AYNBNXOTWFKFOP-IBGZPJMESA-N 415.324 5.156 0 40 HKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20044299 QGJJHKBVHDHDNH-DEOSSOPVSA-N 400.522 6.227 0 40 HKAB CCc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N(CC)CC)c2c1 20381524 PWINZBBLHCFJBR-UHFFFAOYSA-N 402.947 5.130 0 40 HKAB CCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 20610502 KGKFQCFIGAFTGG-UHFFFAOYSA-N 400.482 5.195 0 40 HKAB Cc1cc(-c2cc(C(=O)N[C@@H](C)c3ccccn3)c3cnn(C(C)C)c3n2)c(C)s1 25161862 RSDCFEZMNOCWEU-HNNXBMFYSA-N 419.554 5.244 0 40 HKAB CCCCOc1ccccc1C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 28288010 RUZZGCBJLBCXTN-UHFFFAOYSA-N 414.958 5.615 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N(C)[C@H](C)c1cc2ccccc2o1 32753938 SVEYVKGZUOLYSD-LJQANCHMSA-N 401.510 5.388 0 40 HKAB CCCCOc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 33769487 ZSCKXJRZFOGVDB-UHFFFAOYSA-N 418.489 5.581 0 40 HKAB CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1[C@H](O)c1ccccc1F 34654712 ZHFUSBZXTDCTPY-MRXNPFEDSA-N 401.356 5.153 0 40 HKAB CC(=O)Nc1ccc(/C=C2\C=C([C@@H](O)c3ccc(NC(C)=O)cc3)c3ccccc32)cc1 36382754 VWJRNRDWCVUIOR-FLNWLJMPSA-N 424.500 5.275 0 40 HKAB O=C(c1nc2ccccc2n1Cc1ccccc1)C(c1ccccc1)c1ccccc1 38337693 ZPUXHPUFKRRYIK-UHFFFAOYSA-N 402.497 6.099 0 40 HKAB CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccccc1CN(C)C1CCCCC1 40103364 IEEZRZGMDFTEKB-UHFFFAOYSA-N 422.617 5.047 0 40 HKAB Cc1cccc(Cn2c(SCCOc3ccc(Cl)c(C)c3)nc3ccccc32)c1 41076820 HJRJXQUQVUJMSF-UHFFFAOYSA-N 422.981 6.526 0 40 HKAB Cc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2-c2ccc(C)cc2)cc1 44086520 HHINLDAIQSGHIK-UHFFFAOYSA-N 420.563 5.343 0 40 HKAB O=C(c1ccc(F)cc1)N1C(=S)C(c2cccc(Cl)c2)=NC12CCCCCC2 45932959 ZTROVMFEPIQUEQ-UHFFFAOYSA-N 414.933 5.802 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@@H](c1ccc(Cl)cc1)C(C)C 57475479 OVMAWJAEOOZATA-JOCHJYFZSA-N 410.949 5.068 0 40 HKAB Cc1ccc(NC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)cc1F 64472754 ZJDZUCSCKQNVCR-UHFFFAOYSA-N 410.901 6.559 0 40 HKAB CCOc1cc(C(=O)NCCCCN2CCC[C@H](C)C2)cc(-c2ccccc2)c1OC 70040785 YBGOZAXIGCPGMZ-FQEVSTJZSA-N 424.585 5.003 0 40 HKAB Brc1ccc(-c2nc3c(-c4ccccc4)cnn3c3c2CCCC3)cc1 96191558 IGZCTIBRCKWUEE-UHFFFAOYSA-N 404.311 5.705 0 40 HKAB COc1ccc([C@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)cc1OC 100091221 YGIWWNQKNDJMQR-XMMPIXPASA-N 401.487 5.954 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)C1CCCCC1 118923485 YOVFVQWNQMEMNF-LCJUBJIZSA-N 400.603 6.090 0 40 HKAB CCCOc1ccccc1CCCNC(=O)[C@H](CC)Sc1ccc(Cl)cc1 219385217 UPLLJMZPFWPGBS-NRFANRHFSA-N 405.991 5.749 0 40 HKAB CCCNC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 219839967 VOEZEUMUWHQNKY-UHFFFAOYSA-N 422.912 5.311 0 40 HKAB CC(C)Oc1ccc(CNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 219844799 HFODVHXSTCOVKE-UHFFFAOYSA-N 409.913 5.636 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc(Cl)cc1Cl 222728134 SJBKMDISVBVUFG-SFHVURJKSA-N 424.393 5.954 0 40 HKAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1CSc1ccc(C)cc1 224342644 UETLCIJKRSORLZ-UHFFFAOYSA-N 420.534 5.507 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(F)cc3)o2)cc1 224914845 FWGVDSFFSPVRLC-UHFFFAOYSA-N 402.425 5.086 0 40 HKAB Cn1c(/C=C2/SCCN2C(=O)c2ccc(-c3ccccc3)cc2)nc2ccccc21 225236135 GLBWNSQIKTWZIB-JJIBRWJFSA-N 411.530 5.428 0 40 HKAB O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccc(Cl)cc2)CCCC1 225522878 FQXJQIXUKWJIOA-UHFFFAOYSA-N 412.961 5.265 0 40 HKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCc2ccccc2)cc1 225741661 WIXJXZFMZRSUSY-UHFFFAOYSA-N 411.586 6.462 0 40 HKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225823315 YNSPRMUMBUQSRN-GOSISDBHSA-N 421.578 5.457 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c2cccnc12 225873981 WRLMCJTYULGWHM-UHFFFAOYSA-N 404.510 5.019 0 40 HKAB Clc1ccc(Cc2nnc3sc(-c4cccc5c(Cl)cccc45)nn23)cc1 226300166 UJSMYMSTULOQEA-UHFFFAOYSA-N 411.317 5.904 0 40 HKAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2)[C@@H]1c1cccs1 257173506 PFWYGNHLVNLMTL-VXKWHMMOSA-N 404.535 5.324 0 40 HKAB Cc1cccc(OCc2nc(CC(C)C)c(-c3ccccc3F)cc2C(=O)O)c1C 257249803 JJVKWLZLGZIOPW-UHFFFAOYSA-N 407.485 5.980 0 40 HKAB Cc1cccc(C)c1OCc1nnc(SCc2ccc(Br)cc2)n1C 409348136 RKLDVGZYNCJKLE-UHFFFAOYSA-N 418.360 5.066 0 40 HKAB CC(C)=CCC[C@]1(C)Oc2ccc(-c3cccc(C(=O)O)c3)cc2[C@@H]2O[C@H](C)CC[C@H]21 585265342 AMFSVUNGQKZPMB-BIIVWMMYSA-N 420.549 6.806 0 40 HKAB Fc1ccc([C@@H]2CN(Cc3ccccc3)[C@H]3CCN(Cc4cccs4)C[C@H]32)cc1F 1848354052 GRVHEKISTCZBSY-HWBMXIPRSA-N 424.560 5.516 0 40 HKAB CSc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(F)c2)cc1 851234 CIAXBMCAVSVELD-HYARGMPZSA-N 420.509 5.266 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccc(F)cc3)C3CCCCC3)cc2c1 874596 LEKKVUXTSZTDCR-UHFFFAOYSA-N 423.557 5.507 0 40 HKAB CCCCOP(=O)(OCCCC)[C@H](Nc1ccccc1)c1ccc2c(c1)OCO2 1770974 DDCAESDSEFBKNJ-QFIPXVFZSA-N 419.458 6.353 0 40 HKAB CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(Cl)cc1Cl 2446738 CNZNRKHMUUOCAR-UHFFFAOYSA-N 408.354 5.785 0 40 HKAB Cc1cc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)n1Cc1cccs1 2662903 LVZFCUHJSWZBET-UHFFFAOYSA-N 415.565 5.301 0 40 HKAB CC(C)(c1cc(Cl)c(OC#N)c(Cl)c1)c1cc(Cl)c(OC#N)c(Cl)c1 3130302 YKONYNBAMHVIMF-UHFFFAOYSA-N 416.091 6.346 0 40 HKAB Cc1cccc(C)c1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 3265868 XMZVQYXOJGMAKR-UHFFFAOYSA-N 416.502 5.376 0 40 HKAB O=c1c2ccccc2nc(SCc2nc3ccccc3s2)n1Cc1ccccc1 3299691 REYCHKOWJIPAMV-UHFFFAOYSA-N 415.543 5.347 0 40 HKAB Cc1ccc(-c2nnc(Oc3ccc4oc5c(c4c3)CCCC5)c3ccccc23)cc1 3329726 JPTFJYZICCUEDI-UHFFFAOYSA-N 406.485 7.023 0 40 HKAB c1ccc(-c2nnc(CSc3nnc(-c4ccccc4)n3-c3ccccc3)o2)cc1 3375196 VEDVKCULDFHSJX-UHFFFAOYSA-N 411.490 5.277 0 40 HKAB CC(=O)c1ccc(N(C(=O)Cc2ccccc2F)c2nc3ccccc3s2)cc1 3452812 UZRIWLIPGJGHJB-UHFFFAOYSA-N 404.466 5.545 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2 4150913 YGQFGOMGAQTAEO-UHFFFAOYSA-N 402.825 5.033 0 40 HKAB aggregator c1ccc(COc2ccc([C@H]3CC(c4ccccc4)=NN3c3ccccc3)cc2)cc1 4356999 GKOOQJUXAGZUOX-MUUNZHRXSA-N 404.513 6.621 0 40 HKAB C[C@@H](CC(=O)N[C@@H](C)c1ccccc1)CC(=O)N(c1ccccc1)c1ccccc1 4715690 OFPVYRAZKRUJIT-SFTDATJTSA-N 400.522 5.645 0 40 HKAB CC1(c2ccccc2)COC2(OC1)C(=O)N(Cc1ccccc1Cl)c1ccccc12 4717127 PSZAHTZMUDAOJW-UHFFFAOYSA-N 419.908 5.044 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1 5164203 ZNMDYRBJLIGPMV-NPTYCEPPSA-N 421.556 5.857 0 40 HKAB COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccccc2)cc1OC 5307291 QVBTWBXHJUNURK-UHFFFAOYSA-N 417.486 5.198 0 40 HKAB CC(C)CC[C@H](CCN[C@@H](C)c1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 5499224 OWFDAHUBFQIBJD-NZQKXSOJSA-N 402.022 7.388 0 40 HKAB CCN(C(=O)COC(=O)C(c1ccccc1)c1ccccc1)c1cccc2ccccc12 5591664 UACJKLXQYJEJMC-UHFFFAOYSA-N 423.512 5.568 0 40 HKAB Cc1ccc(-n2ccnc2SCC(=O)Nc2c(Cl)cccc2Cl)c(C)c1 6081161 LZEHISMOHNTRMA-UHFFFAOYSA-N 406.338 5.527 0 40 HKAB Cc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(C)n1-c1ccc(Cl)cc1 6414958 KAUZVVVDHFHGTN-RCCKNPSSSA-N 403.913 5.013 0 40 HKAB CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl 6605389 VZQMWAUHAVXDAE-OAHLLOKOSA-N 414.962 5.043 0 40 HKAB Cc1cc(-c2csc(NC(=O)CCc3ccccc3)n2)c(C)n1Cc1ccccc1 7007734 OJLJRDJKMCIGTP-UHFFFAOYSA-N 415.562 5.848 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(-c3ccoc3C)o2)c2ccccc2)c1 7193842 QOQZJXNHFNTIDX-FQEVSTJZSA-N 419.506 5.727 0 40 HKAB C[C@H](c1ccccc1)n1c([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 7544632 HCXUXOIXTWRHDU-IEBWSBKVSA-N 415.924 5.820 0 40 HKAB Cc1cc(C)cc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 8071552 OEJBNBWZVVOLRR-UHFFFAOYSA-N 414.299 5.021 0 40 HKAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cc2ccccc2o1 8090201 LPZJXDPXEOTSTB-UHFFFAOYSA-N 406.511 5.059 0 40 HKAB CCN(CC)Cc1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 9062617 HRHJUHKCVCVCQE-UHFFFAOYSA-N 413.993 5.033 0 40 HKAB CCOc1ccc(C(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2)cc1 9250022 JITRKKHVLGAGGH-UHFFFAOYSA-N 420.534 5.324 0 40 HKAB CC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C[C@@H]1c1ccco1 9579600 AYQUYHHOFKPQOA-HSZRJFAPSA-N 410.477 5.138 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccccc1Cl 9988359 NPWIRARLKGZMCW-UHFFFAOYSA-N 420.925 5.319 0 40 HKAB COc1ccc2oc(-c3ccccc3)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1 11866464 UGEKJYFKPHWVQT-UHFFFAOYSA-N 414.461 5.343 0 40 HKAB biogenic CC(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(-c3ccc(F)cc3)cc2)C1 12157710 TVZRFUQJUZZYSK-FYYLOGMGSA-N 423.557 5.039 0 40 HKAB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccc(F)cc3F)n2)cc1 12441966 RJHCVODPICCBOM-UHFFFAOYSA-N 410.449 5.143 0 40 HKAB Oc1ccccc1-c1nc(/C=C/c2ccc(Br)cc2)nn1-c1ccccc1 12561902 RZCULOATVPTGON-NTCAYCPXSA-N 418.294 5.573 0 40 HKAB Clc1ccccc1-c1nnc(CN2CCCC[C@@H]2c2nc3ccccc3s2)o1 12908797 FKXNWWGNICHJCJ-QGZVFWFLSA-N 410.930 5.727 0 40 HKAB Cc1cc(NC(=O)c2cc(Cl)sc2Cl)n(-c2nc3ccccc3s2)n1 16851011 XIBSOLCCBSVUFE-UHFFFAOYSA-N 409.323 5.411 0 40 HKAB CC(C)Oc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 17089829 JMBBPKLGEQLDHV-UHFFFAOYSA-N 414.461 5.725 0 40 HKAB Cc1ccc(C2=N/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C(=O)O2)cc1Cl 20395282 URVYDVNDMQNSIT-UUYOSTAYSA-N 421.855 5.711 0 40 HKAB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3cccc(F)c3)cccc2c1Cl 21595740 BDDUYAOAVSWUFI-UHFFFAOYSA-N 404.894 5.474 0 40 HKAB S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(OCc2ccccc2Cl)cc1 22109984 NKGBLMRBQCJISW-UHFFFAOYSA-N 422.941 5.584 0 40 HKAB Cc1ccccc1Nc1nn(CN(C)Cc2nc3ccccc3s2)c(=S)s1 23850683 OIUZOKMPBJDBDO-UHFFFAOYSA-N 413.597 5.425 0 40 HKAB COc1ccccc1-c1cc(CSc2nn(-c3ccccc3)c(=S)s2)on1 26252117 UZGWGAZLGVEQED-UHFFFAOYSA-N 413.549 5.619 0 40 HKAB Cc1ccc2c(C)c(C(=O)NC[C@H](c3ccccc3Cl)N3CCCCC3)oc2c1 28289698 HWCYDKVIXOFIDR-OAQYLSRUSA-N 410.945 5.660 0 40 HKAB CCCOc1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c2cccnc12 28290793 RSVNCAQRFQSCJR-INIZCTEOSA-N 412.917 5.700 0 40 HKAB O=C(CSc1ncnc2ccccc12)N1CCc2sccc2[C@@H]1c1cccs1 29827173 JRLZHBFSVIKJCR-HXUWFJFHSA-N 423.588 5.019 0 40 HKAB CC(C)c1c(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cnn1-c1ccc(Cl)cc1 30625917 HMWRXYQIFIWJTF-UHFFFAOYSA-N 422.916 5.250 0 40 HKAB Cc1c(NC(=O)COc2ccc(-c3nc(C(C)C)no3)cc2)cccc1C(F)(F)F 32578916 NJMKYJKZSBVBDF-UHFFFAOYSA-N 419.403 5.205 0 40 HKAB COc1cc(/C=C/C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc(Cl)c1OC 32765189 UFQRYVFKWQCZNL-RMKNXTFCSA-N 424.299 5.354 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 35033169 YIGWOKYLCVPSEG-ZXQYGXPFSA-N 404.679 6.439 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3ccccc3)C(=O)c3cnccn3)cc2c1 35290185 LXOOUQJNWZWSMZ-UHFFFAOYSA-N 416.912 5.138 0 40 HKAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 44947802 QSMNHZYJRKOSFT-KRWDZBQOSA-N 419.496 5.760 0 40 HKAB COc1cc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc(Cl)c1OC(C)C 48288996 RBYPIWYSJXAWBB-UHFFFAOYSA-N 403.693 5.277 0 40 HKAB COc1ccc(C(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c2ccc(OC)cc2)cc1 48331745 RZECPXWSLABXJI-MSOLQXFVSA-N 421.459 5.278 0 40 HKAB Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(N(C)C)cc2)cc1C 67259057 BNMLGOOGGLGBCO-UHFFFAOYSA-N 415.562 5.361 0 40 HKAB Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)cc1C 67259254 FVWIKMDAVLNZEM-UHFFFAOYSA-N 404.510 5.493 0 40 HKAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccccc2F)nc1 67295221 RHVSTEQNKLVKFO-ROMGYVFFSA-N 407.832 5.413 0 40 HKAB O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1ccc(C(F)(F)F)cc1 67295514 LUNBRDAMCYIIBH-MEFGMAGPSA-N 412.367 5.207 0 40 HKAB Cc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1C 67297047 QVWXWHDLIMMYSW-PNHLSOANSA-N 402.881 6.188 0 40 HKAB Cc1nn(C)c(C)c1C[C@H](C)C(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 72310798 MLLDFJKOMKIRPC-QFYYESIMSA-N 422.369 5.081 0 40 HKAB CCCCOc1ccc(C(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1 90607136 ZZCJLQZOSIAVHK-UHFFFAOYSA-N 418.541 5.169 0 40 HKAB COC1CCN(c2ccc(NC(=O)c3cccc(Oc4ccc(F)cc4)c3)cc2)CC1 96104490 YYUYLMNYGSAUNQ-UHFFFAOYSA-N 420.484 5.486 0 40 HKAB CCOC(=O)c1c(-c2cccs2)csc1N/C=C1/C(=O)N(C)c2ccccc21 100304058 SUBXNGSRBURWBW-SDNWHVSQSA-N 410.520 5.083 0 40 HKAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c12 104066235 JFULHIBXQNDSLL-ZWVMGRIOSA-N 414.553 5.161 0 40 HKAB Fc1ccc(-c2cnc(Nc3cc(C[C@H]4CCC[C@@H]5CNC[C@@H]54)ccn3)s2)cc1 143326816 VOXBSEMFKLOBNQ-QWFCFKBJSA-N 408.546 5.266 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(C)c1Cl 218921014 XYPBDNQYTNWGRC-UHFFFAOYSA-N 423.984 6.442 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 219342774 XZUKVVQBZLPSEA-IBGZPJMESA-N 421.884 5.017 0 40 HKAB COC(=O)c1cccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1C 219839341 AWRXIULFAJALLE-UHFFFAOYSA-N 409.869 5.266 0 40 HKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(C)cc2)o1 222869179 WRVRTDGSIBRZNM-LEWJYISDSA-N 409.580 5.517 0 40 HKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 223036077 ZENHXNMUSQAFQL-QFIPXVFZSA-N 422.613 5.385 0 40 HKAB CC(C)C[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccccc1 223243823 UYLTXEUHSZOSIY-CJSSZYOBSA-N 418.562 5.423 0 40 HKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3c(C)cccc3C(C)C)c2)c1 223948753 BRCFLRTYPGCDQO-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB Cc1cccc(Nc2ccc(NC(=S)NCC3(c4ccccc4)CCCC3)cn2)c1 223975032 NWBCONLITISAFY-UHFFFAOYSA-N 416.594 5.932 0 40 HKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cnn(-c2ccc(Cl)cc2)c1 224056628 MFBLIHRCQPTEGZ-UHFFFAOYSA-N 401.080 5.738 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccccc1 224368236 AZTNMCATRHVNTC-HXUWFJFHSA-N 403.522 5.415 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccc(C)c(C)c1 224620696 RPMAQLKSUWPPMA-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB Cc1cccc(-c2noc(CCC(=O)Nc3ccc(OCc4ccccc4)cc3)n2)c1 225814015 LZVVERUCNBVPIK-UHFFFAOYSA-N 413.477 5.195 0 40 HKAB O=C(O)c1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 226340082 QKXWIDRYWSANQX-UHFFFAOYSA-N 420.484 5.142 0 40 HKAB O=S(=O)(c1ccccc1)N(Cc1c(Cl)cccc1Cl)c1ccccc1F 408628102 UBKFYQHVQXNOBC-UHFFFAOYSA-N 410.297 5.528 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 408678722 UVPREHVGFLNRAD-UHFFFAOYSA-N 418.880 5.398 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2cccc(C)c2C)c1 408694874 MWKVYYTXHBSRDH-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C(Oc1ccc(C2CCCCC2)cc1)c1ccc(Cn2nnc3ccccc32)cc1 409179616 SXMSNPHBPQCHOM-UHFFFAOYSA-N 411.505 5.747 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NC[C@H]4CCCO4)ncnc32)cc1Cl 1447559 WPUCXKPMLXSVMB-LJQANCHMSA-N 418.928 5.640 0 40 HKAB COc1ccc(-c2c/c(=N\c3ccc(OC)c(OC)c3)c3c(C)cc(C)cc3o2)cc1 1892621 BEKXKBHCNXZOAN-SZXQPVLSSA-N 415.489 5.975 0 40 HKAB COc1ccc([C@H]2CC(=O)c3ccccc3O2)cc1CSc1nc2ccccc2[nH]1 2214593 FHADVQPXZQUWAV-HSZRJFAPSA-N 416.502 5.570 0 40 HKAB Cc1cc(C)n(-c2nc(SCc3ccc(F)cc3)c3c4c(sc3n2)CCCC4)n1 2216927 MDDIAZIULSNBFN-UHFFFAOYSA-N 424.570 5.804 0 40 HKAB CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1Cl 2320060 NVMVSOGQOAGSAB-ZSAXZHEQSA-N 401.937 6.602 0 40 HKAB O=C1c2ccccc2-c2nn(C(=O)c3ccc(-c4ccccc4)cc3)c3cccc1c23 3196840 IFYIQUUGMQIQHS-UHFFFAOYSA-N 400.437 5.603 0 40 HKAB CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCc3ccc(Cl)cc3)c2C1 3261916 LWMWEBJLMAIROK-KRWDZBQOSA-N 407.941 6.396 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)COc1ncnc2scc(-c3ccccc3)c12 3289529 BRQTTYBKNFGHGS-UHFFFAOYSA-N 417.534 5.808 0 40 HKAB O=C(COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)c1c[nH]c2ccccc12 3298106 PQSJJVMTBBOYCI-WANOEJIPSA-N 413.517 5.432 0 40 HKAB COc1ccc(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)c(OC)c1 3369692 LIMDRHMWFGMKQH-UHFFFAOYSA-N 419.521 5.833 0 40 HKAB O=C(/C=C/c1ccccc1)Nc1cccc2c(NC(=O)/C=C/c3ccccc3)cccc12 4178189 KAAAQVHHDRHFEV-XPWSMXQVSA-N 418.496 6.144 0 40 HKAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 4498621 HZXGGUIZJXFYOB-JCMHNJIXSA-N 424.541 5.137 0 40 HKAB Cc1cccc(OCCCn2c(/C=C/c3ccc(Cl)cc3)nc3ccccc32)c1 4575353 UHGTZNYGOKFHNF-NTCAYCPXSA-N 402.925 6.638 0 40 HKAB O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nc3c(F)cccc3s2)CC1 4583500 BHGRRIITGWKJCK-UHFFFAOYSA-N 417.509 5.065 0 40 HKAB CSc1ccc(/C=C/c2ccc3cccc(OCc4ccc(Cl)cc4)c3n2)cc1 4631210 YWHFWVYYKHMPEV-NTUHNPAUSA-N 417.961 7.360 0 40 HKAB O=C(Nc1ccc(OC23CC4CC(CC(C4)C2)C3)cc1)C12CC3CC(CC(C3)C1)C2 4728696 MWBHUDFYVCVQOZ-UHFFFAOYSA-N 405.582 6.189 0 40 HKAB CC(C)(C)c1ccc(-n2nc(-c3ccccc3)c3cnc4cc(Cl)ccc4c32)cc1 4970013 WXUTYCDQAKKVLF-UHFFFAOYSA-N 411.936 7.192 0 40 HKAB Cc1cccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cc(F)cc4c32)c1C 4970209 PHXMPYIFFMIWHB-UHFFFAOYSA-N 403.407 6.275 0 40 HKAB O=C(OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1ccc2ccccc2c1 5171515 XQFVTYFQPPMFBI-UHFFFAOYSA-N 412.470 5.162 0 40 HKAB CN(C)c1ccc(-c2nc3c4c(-c5ccco5)c(-c5ccco5)oc4ncn3n2)cc1 5265449 FXWBLZHZYONMMO-UHFFFAOYSA-N 411.421 5.124 0 40 HKAB CCc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 5277743 AZUWZPOJYMRUBV-NVQXNPDNSA-N 414.505 5.509 0 40 HKAB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)C(Cl)(Cl)Cl)c3)nc2c1 5795749 SYHGWVYSPPFEJH-UHFFFAOYSA-N 404.080 5.765 0 40 HKAB c1ccc(-c2cnc(CSc3nnc(-c4ccco4)n3C3CCCCC3)o2)cc1 5866780 FRVPBOKSTJXKBR-UHFFFAOYSA-N 406.511 5.991 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccccc1Cc1ccccc1 5937952 JDILGISWLFQACF-UHFFFAOYSA-N 409.533 5.651 0 40 HKAB CC1=C(C)[C@H](c2c(-c3ccc(C)cc3)n(C)c3ccccc23)N(C[C@H]2CCCO2)C1=O 6256129 VVKODPBZFVFIQS-PXDATVDWSA-N 414.549 5.552 0 40 HKAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CNc2cccc(C)c2C)cc1 6268166 BOCWUYBYLOSNCY-RUZDIDTESA-N 413.521 5.102 0 40 HKAB O=C1Nc2c(Cl)cc(Cl)cc2[C@]12Nc1ccccc1-c1nc3ccccc3n12 6383096 DVNJNLDCRNZAEJ-OAQYLSRUSA-N 407.260 5.089 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)c(OC)c2)N3)C1 6396226 KHPSDLSAAUFYLD-VBKZILBWSA-N 414.571 5.735 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc4ccccc4c3)c2n1 6551920 ISKWKAAGCUSCJH-UHFFFAOYSA-N 411.288 6.021 0 40 HKAB Cc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(O)c1 6627094 DZOLFIUMCCAHBL-UHFFFAOYSA-N 411.335 5.349 0 40 HKAB CCOc1ccc2nc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)sc2c1 6882356 XAXSACDUMLXFJD-UHFFFAOYSA-N 413.499 5.139 0 40 HKAB Clc1ccc(-c2noc(CSc3nnc(C4CC4)n3-c3ccccc3)n2)cc1 7044140 XMRSBEOJFAJCPJ-UHFFFAOYSA-N 409.902 5.140 0 40 HKAB COc1ccc(NC(=O)[C@@H](Sc2nnc(C3CC3)o2)c2ccccc2)cc1Cl 7288610 BZWQONUNHXWIKB-KRWDZBQOSA-N 415.902 5.081 0 40 HKAB CCCNC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 8477058 IMQKGPSDUIFQHM-UHFFFAOYSA-N 409.704 5.034 0 40 HKAB CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)C2CCCCC2)cc1 9462305 GAFQHWLKUJAUJH-UHFFFAOYSA-N 418.537 5.349 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc2c(C)c(C(=O)c3ccc(Cl)cc3)oc2c1 9659923 PATFZIZTHRNBNB-UHFFFAOYSA-N 403.865 6.186 0 40 HKAB biogenic Fc1ccc2ncc3c(-c4ccc(Br)cc4)nn(-c4ccccc4)c3c2c1 9676105 LYJVDWXGSARYGF-UHFFFAOYSA-N 418.269 6.142 0 40 HKAB CCS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 9707770 WYCHZIPSDLIITM-UHFFFAOYSA-N 422.531 5.009 0 40 HKAB COc1ccc(-c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2OC(F)F)cc1 10515689 WDERZWLZSGOYRG-UHFFFAOYSA-N 419.449 5.073 0 40 HKAB O=C(Nc1cc(Cl)ccc1C(=O)NCCc1c[nH]c2ccccc12)c1cccs1 12786919 LUWRGMMVIYCVFU-UHFFFAOYSA-N 423.925 5.108 0 40 HKAB CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2ccccc2Cl)cc1 13030745 RSOFSWHYZCGXSL-IBGZPJMESA-N 402.969 7.088 0 40 HKAB Cc1nc(-c2c(C(F)(F)F)nn(-c3ccccc3)c2-c2ccc(O)cc2O)cs1 13121812 TXZQYZDRVCPCSR-UHFFFAOYSA-N 417.412 5.401 0 40 HKAB CCc1cc2cc(OC)ccc2nc1SCC(=O)Nc1ccccc1C(F)(F)F 13503562 XEBFHMPQTMNIGD-UHFFFAOYSA-N 420.456 5.555 0 40 HKAB Cc1ccc(-c2nn(-c3ccc(Cl)cc3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C 13960809 XHOFIFIOJABARE-UHFFFAOYSA-N 421.371 7.747 0 40 HKAB CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2)CC1=O 14095760 LTUDZQRCEWJDCR-HXUWFJFHSA-N 405.542 5.012 0 40 HKAB COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccccc4)ccc3c2C)c1 15729368 DOYZAKVPRGVWLV-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB biogenic Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1Cl 16755759 FYXKQSKAJLUYPS-UHFFFAOYSA-N 420.152 5.565 0 40 HKAB Cc1cc2nc(-c3cccc(NC(=O)COc4ccc5ccccc5c4)c3)oc2cc1C 17093073 UOPNJZSGBXROCR-UHFFFAOYSA-N 422.484 6.282 0 40 HKAB O=C1[C@@H](c2ccccc2)[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1c1ccccc1 18083971 CRLQJTSACHTAGF-PUHABZHSSA-N 403.525 6.209 0 40 HKAB CCCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1 19898765 ZXJGXLFQBBYHLO-VHXPQNKSSA-N 403.507 5.704 0 40 HKAB CC[C@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 20610921 GGBZWWXLSXZWKS-HNNXBMFYSA-N 420.900 5.504 0 40 HKAB Clc1ccc(COc2ccc(CNC34CC5CC(CC(C5)C3)C4)cc2)c(Cl)c1 22073780 JUGBHRGQRKVLBK-UHFFFAOYSA-N 416.392 6.631 0 40 HKAB CCn1cc(C(=O)Nc2ccc(F)c(Cl)c2)c(=O)c2cc(C(F)(F)F)ccc21 22236804 OMFPWAJUBKCDFH-UHFFFAOYSA-N 412.770 5.085 0 40 HKAB Cc1ccc([C@@H](NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c2ccccc2)cc1 22517874 KUXDYOVTSDCGFH-AMGIVPHBSA-N 412.577 5.746 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1ccccc1F)CC2 23335059 QQFCYDPWKNWMBE-HSZRJFAPSA-N 406.457 5.023 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 23547870 CVVQSWCAEJJFIS-NSHDSACASA-N 424.278 5.316 0 40 HKAB c1ccc(COc2ccccc2[C@@H]2Nc3ccccc3-c3nc4ccccc4n32)nc1 25308781 SWGDACKRNSVUEZ-AREMUKBSSA-N 404.473 5.650 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3cc4cc(OC)ccc4nc3C)sc2C)cc1 29770077 VQIWXEGKIIISHE-UHFFFAOYSA-N 419.506 5.245 0 40 HKAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(OCCSc2ccccc2)cc1 30854887 GBBQCOASIAEWNP-UHFFFAOYSA-N 411.954 5.783 0 40 HKAB Cc1nccn1-c1ccc(CNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 30869013 UMXRABWWAIKGPO-UHFFFAOYSA-N 420.365 5.037 0 40 HKAB Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1cccc(C(F)(F)F)c1 35684323 FCJWQVILHBKUBF-MRXNPFEDSA-N 414.387 5.049 0 40 HKAB COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)cc1 36365783 WKHBGIREOFSBHU-QHCPKHFHSA-N 418.537 5.129 0 40 HKAB COc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)c(C)c1 36616203 RHSZXAAJKYTBHS-UHFFFAOYSA-N 412.493 5.176 0 40 HKAB Cc1ccccc1NC(=O)N1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1 38536176 LLHJVKOJTMBDJA-UHFFFAOYSA-N 416.447 5.308 0 40 HKAB Cc1c(C(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)oc2ccc(F)cc12 40324724 QTJOEAOWRRBDKQ-UHFFFAOYSA-N 400.862 5.587 0 40 HKAB O[C@](c1cnc(NC2CCCCC2)s1)(c1nc2ccccc2s1)C(F)(F)F 48252106 VSDGJKIBEFNFHQ-QGZVFWFLSA-N 413.490 5.296 0 40 HKAB Cc1[nH]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nc1-c1ccccc1 95468300 AHOFFPOQPXZNDH-UHFFFAOYSA-N 424.254 5.983 0 40 HKAB CC(C)C(=O)N1c2ccccc2N=C2C[C@@H](C)CC(O)=C2[C@H]1c1cc(F)cc(F)c1 102585956 UPZMSKWKRYAILL-QKFKETGDSA-N 410.464 6.023 0 40 HKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CC(=O)C(F)(F)F)CC[C@@H]12 118934327 LCURZEXXFASPQQ-FNNUVKTMSA-N 414.508 5.097 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C 119067119 YRWIUNJQYGATHV-BRFOOCGBSA-N 402.663 6.361 0 40 HKAB CCN(CC)Cc1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 216295467 XIFKZOLGFXNQMS-UHFFFAOYSA-N 413.565 5.343 0 40 HKAB C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc2c(c1)CCCC2 222956665 SHSJNIMSKATLNK-CYBMUJFWSA-N 422.750 5.238 0 40 HKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(Cl)cc2F)c1 223606252 GOKGBGNLIRAPPY-UHFFFAOYSA-N 406.240 6.186 0 40 HKAB CCCC[C@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 224402314 WNXPZKXRTGQLDS-INIZCTEOSA-N 422.978 5.087 0 40 HKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 224449631 NZHJTVBIEADNMA-PKTZIBPZSA-N 414.509 5.189 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCCC1 225655256 OUSMVEHFTWLTHX-FQEVSTJZSA-N 402.579 5.008 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C(=O)OCC 225683143 JFCVXCICMWJUSO-UHFFFAOYSA-N 413.489 5.242 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccccc1)[C@@H](O)c1ccc(F)cc1 253529462 YVTJBQMCEPLZNF-GRKAGSLBSA-N 404.462 5.898 0 40 HKAB COc1cc(C(=S)NCc2ccc(C)cc2)ccc1OCc1ccccc1Cl 408575967 PAYKCDGKAFZQHA-UHFFFAOYSA-N 411.954 5.701 0 40 HKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1C 409102410 ZJSDPWFXFXECKM-UHFFFAOYSA-N 403.526 5.906 0 40 HKAB CCOc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1 409119039 RCPMRGXDCYZZGJ-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1CCCc1ccccc1 409142839 BOWSXAGJDMMBBD-GHRIWEEISA-N 402.313 5.118 0 40 HKAB O=C(CCC(=O)c1ccc(Br)cc1)Nc1nc(-c2ccccc2)cs1 409194915 FSQBCUZHSICVTN-UHFFFAOYSA-N 415.312 5.174 0 40 HKAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(Cl)cc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409361080 PXIHXRKWXNJXEQ-ZXYWRSMDSA-N 416.871 5.255 0 40 HKAB C[C@H](C(=O)N[C@@H]1CCCc2c1[nH]c1ccccc21)c1ccc(C[C@@H]2CCCC2=O)cc1 524733478 MUHMOWOVWOIGPR-GERBCZOESA-N 414.549 5.377 0 40 HKAB CC(C)Cc1nc(Cc2ccc(Cl)cc2)c(C(=O)O)cc1-c1cccc(Cl)c1 585265416 ORLMZDSIBNKMER-UHFFFAOYSA-N 414.332 6.543 0 40 HKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1c(-c2ccccc2)nc2ccccn12 606422399 WVBGXQZATPUJKA-PBHICJAKSA-N 400.309 5.531 0 40 HKAB O[C@H](COc1ccc(C(F)(F)F)cc1)CN(Cc1ccccc1)Cc1ccccc1 1857797428 LGTYABNNHILKHF-QFIPXVFZSA-N 415.455 5.148 0 40 HKAB O=C(Nc1ccccc1Cc1ccccc1)c1cccc(OCc2ccc(F)cc2)c1 2037844514 UYRHITIYJHIWQX-UHFFFAOYSA-N 411.476 6.248 0 40 HKAB CC(C)Cn1nc(-c2cc(Cl)ccc2OCC(=O)O)cc1-c1ccc(F)cc1 2037872752 KIRCDCTYIPWSRM-UHFFFAOYSA-N 402.853 5.129 0 40 HKAB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)CC(C)C)ccc3Cl)oc2c1 724361 UFPMCSVVUPRERF-UHFFFAOYSA-N 401.919 5.316 0 40 HKAB O=C1OC(c2ccccc2F)=N/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 823891 MAJNBCCLBVIWMV-GZTJUZNOSA-N 401.315 5.449 0 40 HKAB COc1cc(/C=C/C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)ccc1OC(C)C 959390 KKNAKWIRGJNFAL-DHZHZOJOSA-N 422.550 5.875 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(OC)cc3)C3CCCC3)cc2c1 1327110 IJBYBVGIIJBTMG-UHFFFAOYSA-N 419.525 5.076 0 40 HKAB COc1cccc(C(=O)CSc2nc(C3CC3)nc3sc4c(c23)CC[C@H](C)C4)c1 1377338 OIPWWOZQDGVECK-ZDUSSCGKSA-N 424.591 5.677 0 40 HKAB COc1ccc([C@H]2CC(=O)n3nc(-c4ccc(Cl)c(Cl)c4)nc3S2)cc1 1455642 VRVZDFQMKUPUGD-OAHLLOKOSA-N 406.294 5.138 0 40 HKAB O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](Nc1ccccc1)c1ccncc1 1596969 CVOHYHGGAFQJDU-XMMPIXPASA-N 416.417 6.543 0 40 HKAB Cc1cc(-c2cc3ccccc3oc2=O)ccc1NC(=O)c1ccc(C)c2ccccc12 2052016 GWSAPBBQEILZLV-UHFFFAOYSA-N 419.480 6.482 0 40 HKAB Clc1cccc(-n2nc3c(Cl)nnc(-c4ccccc4)c3c2-c2ccccc2)c1 2181154 BEXLURIHBPNLAN-UHFFFAOYSA-N 417.299 6.456 0 40 HKAB Cc1nc(SCC(=O)c2c(C)n(C)c3ccccc23)c2oc3ccccc3c2n1 2433592 WYFMMMFXUDTACD-UHFFFAOYSA-N 401.491 5.460 0 40 HKAB Cc1cc(SCC(=O)Nc2cccc(Cl)c2)n2nc(C)c(-c3ccccc3)c2n1 2437768 CCPKESOFQHTFTA-UHFFFAOYSA-N 422.941 5.397 0 40 HKAB CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2c(F)cccc2Cl)cc1 2668900 AVGAWALWAPQRCU-GOSISDBHSA-N 420.959 7.227 0 40 HKAB C[C@@H]1C[C@@H](N(Nc2ccccc2)c2ccccc2)N(c2ccccc2)N1c1ccccc1 2916348 HJMYOEFFGHWXHF-LXFBAYGMSA-N 420.560 6.567 0 40 HKAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)cc1 3235439 MJSDOBGDPUQMJM-UHFFFAOYSA-N 403.478 5.572 0 40 HKAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)N2CCCc3ccccc32)c1C 3247064 ONUPAEJFVCUVRO-UHFFFAOYSA-N 414.505 5.183 0 40 HKAB CCn1c(Cc2cccs2)nnc1SCC(=O)c1ccc(-c2ccccc2)cc1 3295783 UJOQAKKGMZDRNI-UHFFFAOYSA-N 419.575 5.592 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1F)c1ccc2ncsc2c1 3361759 OXBREPPSRVJGQJ-UHFFFAOYSA-N 410.857 5.572 0 40 HKAB Cc1cc2oc(=O)cc(CSc3ncnc4sc5c(c34)CCC5)c2cc1C(C)C 3365977 KRNOJAJTQDDILP-UHFFFAOYSA-N 422.575 6.011 0 40 HKAB Cc1ccc([C@@]2(CC(=O)NCc3ccc(OC(C)C)cc3)CCO[C@@H](C(C)C)C2)cc1 4044787 VCSJWHQCEMLEMY-VPUSJEBWSA-N 423.597 5.562 0 40 HKAB biogenic Cc1cc(N2C[C@H](C(=O)Nc3ccc(C(F)(F)F)cc3)CC2=O)ccc1C(C)C 4105562 GWDBQETZKLEMKV-OAHLLOKOSA-N 404.432 5.129 0 40 HKAB COc1ccc(C(=O)CSc2nc(-c3ccc(F)cc3)nc3c(C)cccc23)cc1 4129821 BZGCKTFQJBEXSM-UHFFFAOYSA-N 418.493 5.728 0 40 HKAB O=c1ccc2ccc(Oc3ncnc4scc(-c5ccc(Cl)cc5)c34)cc2o1 4183323 ZKYVBKCVHMPKEZ-UHFFFAOYSA-N 406.850 5.910 0 40 HKAB O=C(NCc1ccncc1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 4450207 JSCCSZCZIMJDCI-BPTGPBLASA-N 409.533 5.308 0 40 HKAB COc1ccc(-n2c(-c3ccccc3)nnc2-c2ccc(Br)cc2)cc1 4498226 ZPWFNQYLQYDAGI-UHFFFAOYSA-N 406.283 5.372 0 40 HKAB Fc1ccc(-c2cc(-c3ccncc3)nc(Cc3c(Cl)cccc3Cl)n2)cc1 4623571 GUPWCABWLDBTEW-UHFFFAOYSA-N 410.279 6.242 0 40 HKAB CC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)CSc3ccccc3)cc12 4675657 ZOPCBYGGNSEFPQ-UHFFFAOYSA-N 415.514 5.839 0 40 HKAB O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1cccc2ccccc12 4812711 GQSGDEYVFYDTMG-SAPNQHFASA-N 408.888 6.363 0 40 HKAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)C3CCCCC3)c(Cl)nc12 4880163 XGICHQDHQSUGEK-UHFFFAOYSA-N 406.957 6.306 0 40 HKAB COc1ccccc1C(=O)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 5142044 JPNHHOIHCCAKBV-UHFFFAOYSA-N 409.898 5.200 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1 5184734 BXXWPYTUKSCCGV-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc(-c2c(NC(=O)c3ccc(C(C)(C)C)cc3)n(C)c3ccccc3c2=O)cc1 5206351 FTPIFWPLAHWVSM-UHFFFAOYSA-N 424.544 6.064 0 40 HKAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccc(Br)c3)o2)cc1 5262658 XHCGTAZKZCZAHK-LBPRGKRZSA-N 403.301 5.171 0 40 HKAB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(Br)c(C)c1)C3 5516369 IEEHUGUANPMEDQ-UHFFFAOYSA-N 414.299 5.173 0 40 HKAB O[C@H](CN(C1CCCCC1)C1CCCCC1)c1ccnc2c(Cl)cc(Cl)cc12 6599363 AHFROPKVRDZVJZ-JOCHJYFZSA-N 421.412 6.542 0 40 HKAB O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)NC1CCCCC1 6789593 KPXZXIHRZNFSFP-UHFFFAOYSA-N 416.566 5.130 0 40 HKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C(=C/c1ccccc1)c1ccccc1 6882280 LANUJHBWAHNMLL-HEHNFIMWSA-N 413.477 5.309 0 40 HKAB O=C1S/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)N1Cc1ccc(Cl)cc1 6971181 BWYWIVXUPLFCCL-XDHOZWIPSA-N 412.873 5.506 0 40 HKAB O=C(CN1CCCSc2ccccc21)N1CCC[C@@H](c2nc3ccccc3s2)C1 7218307 VJLDQSIXRMUBOK-QGZVFWFLSA-N 423.607 5.005 0 40 HKAB Cc1ccc(-c2nnc([C@H](C)Sc3nnc(C4CC4)n3-c3ccccc3)o2)cc1 8027057 ZAUQWYYZHWFAQK-HNNXBMFYSA-N 403.511 5.356 0 40 HKAB Cc1ccc(Cc2cnc(NC(=O)CC(c3ccccc3)c3ccccc3)s2)cc1 8317389 DQWCBBIXCNLLRQ-UHFFFAOYSA-N 412.558 6.203 0 40 HKAB COc1cc(CNCc2cccs2)ccc1OCc1ccc(Cl)c(Cl)c1 8471433 PIKSNZASAUUKHH-UHFFFAOYSA-N 408.350 5.932 0 40 HKAB COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)cc2C)cc1 9019588 QSOPMAUVURQSQG-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB COc1ccc(-c2csc(N3N=C(C)C[C@H]3c3cccc(OC)c3OC)n2)cc1 9050671 IXJJOJGZGAIPQN-IBGZPJMESA-N 409.511 5.163 0 40 HKAB CCc1ccc(NC(=O)Cc2nc(-c3cc(C)n(-c4cc(C)on4)c3C)cs2)cc1 9385978 PNISJMIBBYZLTD-UHFFFAOYSA-N 420.538 5.258 0 40 HKAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccccc1COc1ccccc1 9812334 QLHSJBVKVQURGH-UHFFFAOYSA-N 424.500 5.130 0 40 HKAB Cc1nc(-c2ccc(CNC(=O)CCCc3nc4ccccc4s3)s2)cs1 10105347 AFWBYGDNLNJJRD-UHFFFAOYSA-N 413.593 5.429 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(C3CCCC3)C3CC3)cc12 12945386 BADWIRNGCDDSAE-UHFFFAOYSA-N 413.974 5.655 0 40 HKAB CC(C)(C)c1ccc(Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)cc1 13030791 LCZCMCCCPZCPAX-UHFFFAOYSA-N 404.941 6.615 0 40 HKAB CCOc1cc2c(cc1NC(=O)c1cc(C(C)C)nc3c1cnn3C(C)C)O[C@@H](C)C2 14067238 ZLCDOYYRPJEDAB-HNNXBMFYSA-N 422.529 5.110 0 40 HKAB Cc1nc(-c2ccc(CN[C@H](C(=O)N3CCCCC3)c3ccccc3)s2)cs1 14110477 RYTDSQBRFJEKGK-NRFANRHFSA-N 411.596 5.023 0 40 HKAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(OCc2ccccc2)c1 14783594 QOMXBULYLSCTKS-NRFANRHFSA-N 423.512 6.339 0 40 HKAB COc1ccc(C(=O)N(C)Cc2cccc(Cl)c2Cl)cc1Br 17917205 NJRMCXXTNXYFCL-UHFFFAOYSA-N 403.103 5.037 0 40 HKAB O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(CC3CCCCC3)CC[C@@H]21 19406589 UICGTOSCFCWRLB-VABKMULXSA-N 400.632 5.135 0 40 HKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)CSc4ccccc4)cc3n2)cc1 20611206 CQFRXAFTHRUUAF-UHFFFAOYSA-N 402.523 5.022 0 40 HKAB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc5nsnc5c4)c3)nc2c1 21595341 PJWHXPZDSHVOAO-UHFFFAOYSA-N 420.881 5.714 0 40 HKAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccc(Cl)c(Cl)c1 28831341 VDLKIRFMMCJBAY-UHFFFAOYSA-N 413.717 5.163 0 40 HKAB C[C@@H](c1ccccc1)N1COc2cc3c(cc2C1)CN([C@@H](C)c1ccccc1)CO3 31628942 VQIMBTRUSRMLDH-PMACEKPBSA-N 400.522 5.513 0 40 HKAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 35269858 LFHUPKYHLIOFSU-UHFFFAOYSA-N 423.925 5.028 0 40 HKAB Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)Nc1ccccc1C(F)(F)F 38668632 BHYHCYFMOYIQSO-UHFFFAOYSA-N 423.435 5.641 0 40 HKAB CCN(C(=O)NCc1ccc(OCc2cccnc2)cc1)[C@H](C)c1ccc(F)cc1 58196002 VJJQKPUQZCUNNN-GOSISDBHSA-N 407.489 5.092 0 40 HKAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 59433424 MGHRHDBICUBGPV-GMMLXXJASA-N 407.513 5.264 0 40 HKAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ccc(C(=O)OC(C)C)cc3)oc12 67339482 FCEHRGCNZFXJLC-CMDGGOBGSA-N 413.857 5.312 0 40 HKAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 71844208 LBIFKJXOAUIKIP-FGZHOGPDSA-N 414.590 5.208 0 40 HKAB Cc1cc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)ccc1Oc1cccnc1 72028849 OFPCCZDZSWPGHS-UHFFFAOYSA-N 401.470 5.069 0 40 HKAB CCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215700 WACHZPQBFBQTBN-OAQYLSRUSA-N 401.595 6.093 0 40 HKAB CCCCN(C(=O)c1cccc(CN2C(=O)CSC2=O)c1)[C@H](CC)c1ccccc1 72285127 VJSVDRGHNHNMRS-OAQYLSRUSA-N 424.566 5.276 0 40 HKAB Cc1cc(CCCC(=O)N2CCC[C@H]2c2cccc(Nc3nccs3)n2)ccc1F 72375810 QMSBWBSQPSFWEK-FQEVSTJZSA-N 424.545 5.416 0 40 HKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 101986861 AIAACAPGUYHRFB-OZQHCQBDSA-N 418.968 6.418 0 40 HKAB C[C@H](NC(=O)c1oc2ccccc2c1CSCc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 102253302 SKXIGRMKCVMNHR-WCCBULMPSA-N 419.590 6.421 0 40 HKAB COC(=O)c1c(-c2ccccc2)nn(Cc2ccccc2)c1/C=C/NCc1ccccc1 102330374 HYXLOTHGFYJANH-ISLYRVAYSA-N 423.516 5.146 0 40 HKAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccc(O)cc2)C[C@@H](c2ccc(Cl)cc2)C1 102739288 RUIWBTOVXBTOHA-YJYMSZOUSA-N 408.845 5.058 0 40 HKAB O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccccc1CCc1ccccc1 219007516 JLMIUZWHGCZPDC-UHFFFAOYSA-N 417.896 5.105 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219350264 MLFUIYIYNBCMHG-XZOQPEGZSA-N 419.521 5.424 0 40 HKAB O=C(CSCc1ccccc1F)Nc1cc(Cl)ccc1Oc1ccccc1 222702399 TXGNZEQTQMJBRN-UHFFFAOYSA-N 401.890 6.143 0 40 HKAB CC[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(OC)c(C)c1 223381036 KLNRXMCQDJOZRN-HSZRJFAPSA-N 405.563 6.177 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223922162 VOKGSMBZQXNVJP-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB CC(C)(C)c1ccc(OCCNC(=O)c2ccccc2OCc2ccccc2)cc1 224274759 VZSZTIXVAPZQOS-UHFFFAOYSA-N 403.522 5.372 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Sc1ccccc1 224359742 VSWDWQNKECPZSC-DEOSSOPVSA-N 417.574 6.513 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1cccc(CN2CCCCC2)c1 224643828 KQPUOFOPYRUZGK-CSKARUKUSA-N 403.353 5.309 0 40 HKAB CCN(CC)CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1 225539604 AULPPOBGJHDURY-UHFFFAOYSA-N 408.586 5.556 0 40 HKAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(CSc2ccccc2)cc1 225635586 HYNYAYUOHIGMKB-IBGZPJMESA-N 422.619 6.041 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c2cccnc12 225871619 RQVGACKILKMPQN-UHFFFAOYSA-N 404.510 5.483 0 40 HKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4ccccc4OC)C3)c2)cc1 257338947 YZOAACPOWAVLAG-FQEVSTJZSA-N 416.521 5.094 0 40 HKAB Cc1ccccc1N1C[C@@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O 408673984 YDNVBSFBFVEZEN-FQEVSTJZSA-N 413.517 5.279 0 40 HKAB Cc1cccc(CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c1 408750536 OPWZKKAUBYCKBV-UHFFFAOYSA-N 416.527 5.698 0 40 HKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3OCc3ccccc3)S2)cc1 408785216 UWERPUPUSWWDIU-QKSFETHESA-N 416.546 5.428 0 40 HKAB CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(Cl)cc1Cl 409136474 ZDCAQTMNGLDTSY-UHFFFAOYSA-N 417.130 5.644 0 40 HKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\S(=O)(=O)c3ccccc3)n2C)cc1 409205186 GIBVBFRZWGEZMK-VHXPQNKSSA-N 420.559 5.019 0 40 HKAB Cc1ccc(CCc2nc(CC(C)C)c(-c3cccc(Cl)c3)cc2C(=O)O)cc1 585265316 LKLHMFBUINJEJV-UHFFFAOYSA-N 407.941 6.392 0 40 HKAB Cc1ccc(OCCCn2c(=N)n(CCCOc3ccccc3)c3ccccc32)cc1 585655847 RZSQFKZCTJVIOF-UHFFFAOYSA-N 415.537 5.169 0 40 HKAB CCN1CCCCCCN(C(=O)CC(C)C)[C@@H](C(C)C)COc2ccccc2C1=O 643584653 SFPNUUBAEFIGTL-JOCHJYFZSA-N 416.606 5.001 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)c1cc2nc(C(F)F)cc(C(F)F)n2n1 652640 GLVBISNDYIVFAJ-UHFFFAOYSA-N 407.154 5.164 0 40 HKAB Cc1ccc2nc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)sc2c1 949351 KRJOFINFSJAEJL-UHFFFAOYSA-N 401.516 6.134 0 40 HKAB Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2ccccn2)c2ccc(F)cc2)c1C 1298119 PGMOVKKQWIMAEY-OAQYLSRUSA-N 421.497 5.946 0 40 HKAB CCOC(=O)C(Cc1c(F)cccc1Cl)(Cc1c(F)cccc1Cl)C(C)=O 1389917 JDFPGIXLEWDVIO-UHFFFAOYSA-N 415.263 5.195 0 40 HKAB COc1ccc(Oc2c(OC)cc(NCCCCCNC(C)C)c3ncccc23)cc1 1599092 QWKGZWUCKIOVBG-UHFFFAOYSA-N 423.557 5.625 0 40 HKAB Cc1ccc(Nc2ccn(-c3nc(-c4ccccc4)oc3-c3ccccc3)c(=O)n2)cc1 1738749 UDRHLCPRUPCQQG-UHFFFAOYSA-N 420.472 5.607 0 40 HKAB Brc1ccc2c3c(ccc2c1)OCN(c1ccccc1Br)C3 2296988 HXZXJYXKGCCCOH-UHFFFAOYSA-N 419.116 5.721 0 40 HKAB CC[C@H](C)c1ccc(Oc2nc(-c3cccc(OC)c3O)nc3ccccc23)cc1 2408806 CAILDKDATMCFLY-INIZCTEOSA-N 400.478 6.317 0 40 HKAB FC(F)(F)Oc1ccc(Nc2nc(-c3cccc(Br)c3)cs2)cc1 2582367 PWZJDODFBHJWPZ-UHFFFAOYSA-N 415.234 6.215 0 40 HKAB Cc1ccc(-n2c(SCCOC(C)C)nnc2-c2ccc(Cl)cc2)cc1Cl 2643642 JFFBGWQWHGAUKB-UHFFFAOYSA-N 422.381 6.067 0 40 HKAB Clc1ccc2nc(N3CCC(Cc4ccccc4)CC3)nc(-c3ccccc3)c2c1 2686363 AEIQGLRNVHBRAY-UHFFFAOYSA-N 413.952 6.409 0 40 HKAB C=Cc1ccc(Cn2nc(-c3ccc(C)c(C)c3)c(C)c2-c2ccc(C)c(C)c2)cc1 2733547 UIRUBGILOGEPST-UHFFFAOYSA-N 406.573 7.451 0 40 HKAB CCOc1ccc2nc(SCC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 2785051 CWQUNOOJNGSSQY-UHFFFAOYSA-N 405.544 6.337 0 40 HKAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc3cc(Br)cc(Br)c3o2)C1 3180764 LKZMKXQIYSQRFC-NXEZZACHSA-N 415.125 5.076 0 40 HKAB CC(C)N(C(=O)COC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 3225564 RGTXIRPQXKTHRV-UHFFFAOYSA-N 401.506 5.193 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(-c3ccco3)o2)c2ccccc2)c1 3356355 FQQHRQAZYFWUFM-LJQANCHMSA-N 405.479 5.419 0 40 HKAB CC(C)COc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 4109776 QOWVNNYEROFWEM-UHFFFAOYSA-N 406.448 5.593 0 40 HKAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1Cl 4602987 CAFDNCDMFYANFS-UHFFFAOYSA-N 403.718 5.172 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2C(N)=O)C1 4628705 KQARDHCXFOGAFT-JQHSSLGASA-N 410.583 5.130 0 40 HKAB CC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3c2C1 4660825 DTDATWSAEBNUFM-AWEZNQCLSA-N 417.958 6.038 0 40 HKAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc(C)c2)n2c(nc3ccccc32)N1 4731525 NOSGYWUKDBBQPQ-QHCPKHFHSA-N 412.468 5.411 0 40 HKAB O=C1C[C@@]2(c3ccccc31)c1ccccc1[C@@]1(c3ccccc3)c3ccccc3C(=O)[C@@H]21 4831167 FYBGQGQDKPCNAS-FRXPANAUSA-N 412.488 5.720 0 40 HKAB O=C(CSC1=NC2(CCCC2)N=C1c1ccccc1)Nc1ccc(F)c(Cl)c1 4890859 UYHIAEVAKUCELQ-UHFFFAOYSA-N 415.921 5.323 0 40 HKAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 5099259 GPQRSQGKFCFERG-UHFFFAOYSA-N 414.505 5.180 0 40 HKAB COc1ccc(Cl)cc1N=[P@@](c1ccncc1)(N1CCCCCC1)C(C)(C)C 5496492 SMISLRVTJDASHI-NDEPHWFRSA-N 419.937 6.491 0 40 HKAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)c1ccc2c(c1)CCC2 6531919 USYLKTOIHVDPJG-INIZCTEOSA-N 403.551 5.056 0 40 HKAB O=C(/C=C/c1ccco1)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 6615819 AJMNZGCCVJDWMI-VAWYXSNFSA-N 405.504 5.083 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc(C)c(-c3ccccc3)s2)sc(C)c1CC 6708262 RWSLFXKSULXGEZ-UHFFFAOYSA-N 413.564 6.085 0 40 HKAB O=C(CS/C(=C/c1ccco1)c1nc2ccccc2s1)NC1CCCCCC1 6785366 FDQRYUUDKIERAI-XSFVSMFZSA-N 412.580 5.960 0 40 HKAB Fc1ccccc1COc1cccc(CNn2c(-c3ccccc3)n[nH]c2=S)c1 7601490 WAIKZWUWDFXJHS-UHFFFAOYSA-N 406.486 5.069 0 40 HKAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 7778047 LHUMRYTYFNUAIA-FQEVSTJZSA-N 414.534 5.337 0 40 HKAB CN(Cc1ccccc1N1CCCC1)C(=O)c1cc(-c2ccncc2)nc2ccccc12 8194136 OXBPUHWOCIGHHR-UHFFFAOYSA-N 422.532 5.169 0 40 HKAB O=C(COc1ccccc1Cl)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 8590626 LIBVKCHUFMVMTR-UHFFFAOYSA-N 413.260 5.819 0 40 HKAB CCN1C(=O)c2cc(NC(=O)COc3ccc(Cl)cc3)ccc2Oc2ccccc21 9134555 WGJDHDJWMUQFRL-UHFFFAOYSA-N 422.868 5.130 0 40 HKAB CCOc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCc1ccccc1Cl 9409680 LRZZLQIEDFNAHD-UHFFFAOYSA-N 423.900 5.099 0 40 HKAB Cc1cc(=O)n2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc2n1 11770910 BQOJPUCWGCTARF-UHFFFAOYSA-N 410.886 5.029 0 40 HKAB C[C@H](CCc1ccco1)NC(=O)Cc1cnc(-c2c(Cl)cccc2Cl)s1 12391147 JRMGJAIGCVXLMF-GFCCVEGCSA-N 409.338 5.390 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](C)SCc2nc(-c3ccccc3Cl)no2)c1 12920851 CGNMSPFRIJIDQR-CQSZACIVSA-N 401.919 5.267 0 40 HKAB Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@H](c1ccsc1)O2 13036350 AGQKQVXUHPJYJT-QAPCUYQASA-N 417.353 5.814 0 40 HKAB COc1ccc(N2C[C@H](c3nc4ccccc4n3CCC3CCCCC3)CC2=O)cc1 13758060 PTJJUAXAFWEBMS-HXUWFJFHSA-N 417.553 5.536 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3)oc2c1 13946172 JHOIZGUQEZTPSM-UHFFFAOYSA-N 400.478 5.944 0 40 HKAB O=C1C[C@H](c2c(F)cccc2Cl)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15082269 UTSBTBBSMCVTKB-LLVKDONJSA-N 401.846 5.380 0 40 HKAB Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@H](c1cccc(Cl)c1)CC(=O)N2 15106623 AYDWVKZSIPTWDB-INIZCTEOSA-N 414.889 5.575 0 40 HKAB CCCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)c1 16751975 OFEXJNUNNIPGNC-QHCPKHFHSA-N 419.521 5.707 0 40 HKAB Cc1ccc(C(=O)n2c(N)c(C(=O)Nc3ccc(Cl)cc3)c3ccccc32)cc1 16778053 JROVOIKNZRJSFU-UHFFFAOYSA-N 403.869 5.126 0 40 HKAB CC[C@@H]1c2ccsc2CCN1C(=O)CCC(=O)c1ccc(Br)cc1 16778289 IRBDQKHWDGPAIN-MRXNPFEDSA-N 406.345 5.010 0 40 HKAB Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(O)c1 17092599 WWDOCWRLKSRYGW-UHFFFAOYSA-N 421.305 5.394 0 40 HKAB O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccccc3)CC[C@H]21 19372262 NJIGMYUJIHFUIC-WXFUMESZSA-N 408.611 5.145 0 40 HKAB COc1ccc2c(c1)CCc1c(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)noc1-2 20137793 QQFHWPUDYPXZRE-UHFFFAOYSA-N 422.790 5.373 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(C(F)(F)F)c2)cc1 20248138 AXLNKBRZLKONGR-UHFFFAOYSA-N 421.802 6.412 0 40 HKAB Cc1cc(N2CCCCCC2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 21150426 IZMWUCPHRBBAPO-UHFFFAOYSA-N 408.855 5.757 0 40 HKAB O=C(O)c1cc(/C=C/c2ccc(C(F)(F)F)cc2)nc2ccc(Br)cc12 22151027 JWFVREZGXKNIHW-XVNBXDOJSA-N 422.200 5.885 0 40 HKAB O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1cc2c(F)cccc2s1 22321833 WSODRPPQRFUIHR-UHFFFAOYSA-N 422.403 5.660 0 40 HKAB Cc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3-c3cccs3)C2)cc1 24915614 YMRAQMWAFUVORC-LJQANCHMSA-N 404.535 5.214 0 40 HKAB Cc1ccc(OCCn2nc(SCCOc3ccccc3)sc2=S)cc1 26895510 XXDCUBXDIFBSOO-UHFFFAOYSA-N 404.582 5.233 0 40 HKAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3cc(-c4cccs4)on3)cc2)n1 29224716 LGYCEWXCXQTUCT-UHFFFAOYSA-N 408.508 5.213 0 40 HKAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3ccccc3Oc3ccc(C)cc3)ccc21 31296601 AFEHFXDMENIUNI-UHFFFAOYSA-N 413.477 5.078 0 40 HKAB CC(=O)Nc1sc(NC(=O)COc2ccc(C(C)C)cc2)nc1-c1ccc(C)cc1 35671497 ZVNOELLRGYEOEG-UHFFFAOYSA-N 423.538 5.218 0 40 HKAB Brc1ccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3)n[nH]2)cc1 38344219 BJRNWMAHGVVRGU-UHFFFAOYSA-N 415.294 5.845 0 40 HKAB Cc1ccccc1CSc1nccn2nc(-c3ccc(Br)cc3)cc12 38486447 UXSZLBPWLYLGSE-UHFFFAOYSA-N 410.340 5.760 0 40 HKAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(N3CCCCCC3)o2)cc1 39843927 JIOBEZAIKIDOSU-UHFFFAOYSA-N 414.502 5.002 0 40 HKAB Cc1ccccc1NC(=O)Cn1c(-c2cccc(Br)c2)nc2ccccc21 40306826 WFAWVJJACSDSJM-UHFFFAOYSA-N 420.310 5.413 0 40 HKAB CC(C)c1ccc(N2C(=O)c3ccccc3N[C@]23C(=O)Nc2c(Cl)cccc23)cc1 49947068 SGINLOSEYWJFJS-DEOSSOPVSA-N 417.896 5.341 0 40 HKAB O=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)NC1CCCCC1 57511080 MIYBKJRTDQXDHZ-UHFFFAOYSA-N 416.550 5.091 0 40 HKAB CN(C(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc(Oc2ccccc2)cc1 58156625 NASAHVMHVPVRTE-UHFFFAOYSA-N 420.534 5.056 0 40 HKAB CC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@@H]1c1ccc(C)cc1 58196737 QKSRWYFGEMUKTD-AREMUKBSSA-N 419.528 6.216 0 40 HKAB Cc1cc(C)cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)c1 67294842 FRAPEPVIINKQDT-PNHLSOANSA-N 417.896 5.891 0 40 HKAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1Cc1ccccc1)C1CCC1 72215492 WDWSXUHVCFCRTC-JOCHJYFZSA-N 407.558 5.713 0 40 HKAB O=C1Nc2ccccc2[C@]12C=C(c1ccc(F)cc1)Nc1cc(Cl)ccc1S2 101493981 RPGXVYFOABIXFE-JOCHJYFZSA-N 408.885 5.885 0 40 HKAB Cc1ccc(/C=C/C2=Nc3ccccc3C(=O)[C@H]2c2c(Cl)cccc2Cl)cc1 104754502 DSHIXHGHIFPSQH-YAOQVBECSA-N 406.312 7.068 0 40 HKAB O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1c1ccc(Cl)cc1 113836047 UPTZGQLIWGUTCQ-KGENOOAVSA-N 421.905 6.160 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 219686097 FNEOXNGXXKYCLA-FOIQADDNSA-N 420.347 5.129 0 40 HKAB C[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc2c(c1)CCCC2 222981005 VSUVEASAPOZPEL-SFHVURJKSA-N 419.952 6.289 0 40 HKAB O=C(NCCSCc1c(Cl)cccc1Cl)C1(c2ccccc2)CCCC1 223521417 XKELVTVBNPGCLM-UHFFFAOYSA-N 408.394 5.855 0 40 HKAB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(C)cc2)c1 223641491 RAQOGXYJDTXMPK-UHFFFAOYSA-N 403.887 5.250 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1C 224263585 YBQGUVZAPJDATD-RPWUZVMVSA-N 416.594 5.792 0 40 HKAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 224884544 VJIINYRSICUFRE-UHFFFAOYSA-N 412.839 5.089 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(Cl)ccc1OCc1ccccc1 224970143 UGRBDWJYXTZLMN-UHFFFAOYSA-N 420.940 6.162 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(C(=O)N2CCCCC2)cc1 225362744 MLQHHUKVKHXYAU-UHFFFAOYSA-N 405.325 5.191 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225749759 GSQSOXFZBQNNMD-VWLOTQADSA-N 418.622 5.501 0 40 HKAB CCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)cc1C(=O)OCC 225852559 FOABRNGCSZMBDW-UHFFFAOYSA-N 405.535 5.110 0 40 HKAB Cc1cccc(C2(NC(=S)Nc3ccc(C)c(N4CCCC4=O)c3)CCCC2)c1 225869942 SINNUBKLTGCKGF-UHFFFAOYSA-N 407.583 5.186 0 40 HKAB COc1ccc(-c2sc(NC(=O)c3cccc(C)c3)nc2-c2ccccc2)cc1 408828142 VUQDMQCGKIGELM-UHFFFAOYSA-N 400.503 6.046 0 40 HKAB O=C(CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O)Nc1cccc(Cl)c1 409160888 XSYCYTXGJJXCSZ-YBFXNURJSA-N 422.893 5.168 0 40 HKAB S=C(c1cn(Cc2ccccc2Cl)c2ccccc12)N1CCc2ccccc2C1 409201605 WRPWDWJTXNEXFI-UHFFFAOYSA-N 416.977 6.077 0 40 HKAB S=C(c1ccc(OCCOc2ccccc2Cl)cc1)N1CCc2ccccc2C1 409204903 LUQXMTAGCBCGRU-UHFFFAOYSA-N 423.965 5.532 0 40 HKAB CC(C)Oc1ccccc1/C=C1\SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 409342060 BQIQKVQIYXXRES-ODLFYWEKSA-N 415.898 5.046 0 40 HKAB Cc1ccc(OCc2ccccc2)c(-c2ccc(C(=O)O)c(CCC3CCCC3)n2)c1 585265655 WXBPCWLJJVIAHX-UHFFFAOYSA-N 415.533 6.457 0 40 HKAB O=C(c1sc2cc(C(F)(F)F)ccc2c1Cl)N1CCC[C@@H](c2cc[nH]n2)C1 588094590 KWJMXDGSOCHKCL-SNVBAGLBSA-N 413.852 5.316 0 40 HKAB CCOC(=O)c1nn(-c2ccccc2F)c(-c2ccccc2)c1C(=O)c1ccccc1 1016751 XJQUMEITXMUBAH-UHFFFAOYSA-N 414.436 5.086 0 40 HKAB CCCCc1ccc(-c2c(C)sc(NC(=O)c3cccnc3)c2C(=O)OC)cc1 2102088 IGQNCCISGNZBQX-UHFFFAOYSA-N 408.523 5.500 0 40 HKAB Cc1ccccc1OC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2307633 CBCJUHGTRIWTQF-UHFFFAOYSA-N 418.290 6.192 0 40 HKAB Cc1ccc(C)c(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)c1 2368810 URAPKHUNDHVTOG-UHFFFAOYSA-N 414.509 5.262 0 40 HKAB C[C@@H]1CCCC[C@H]1n1c(SCC(=O)c2ccccc2F)nnc1-c1cccnc1 2622642 XNGHLBNZTFWSAM-DNVCBOLYSA-N 410.518 5.205 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)Nc1ccc(F)c(Cl)c1 2633994 TZTJMRGZZDSVAC-UHFFFAOYSA-N 412.679 5.591 0 40 HKAB COc1ccc2c(c1)c1nnc(-c3ccc(F)cc3)c-1cn2Cc1cccc(F)c1 2690579 PUPWVTZWYHGWNL-UHFFFAOYSA-N 401.416 5.538 0 40 HKAB COc1ccc(C)cc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 2714015 ZSSGQEUKXZXCIB-UHFFFAOYSA-N 424.479 6.287 0 40 HKAB Cc1cccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)c(Cl)c2)c1 2714238 SMCMWOXMROJMEB-UHFFFAOYSA-N 424.935 7.101 0 40 HKAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cccc(Cl)c1 2889667 OOXPTNZDLRFMAC-UHFFFAOYSA-N 406.290 5.761 0 40 HKAB CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)cc1 3008126 MPGQEGQJDGTGJE-UHFFFAOYSA-N 411.502 5.189 0 40 HKAB O=C(c1ccc(F)cc1)c1ccc(OC(=O)C(c2ccccc2)c2ccccc2)cc1 3282168 SZAKXIQHDHDYJO-UHFFFAOYSA-N 410.444 5.794 0 40 HKAB CC(=O)[C@H](Sc1nnc(-c2cccnc2)n1-c1ccc(C)cc1C)c1ccccc1 3345603 QVNAMIVBUXLNHT-QFIPXVFZSA-N 414.534 5.369 0 40 HKAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccc(-c2cccc(Cl)c2)o1 3362960 QUDADVMJYBOWST-YVLHZVERSA-N 418.663 6.251 0 40 HKAB Cc1ccc(-c2nc(-c3ccc4c(c3)C(=O)c3ccccc3-4)c(-c3ccccc3)[nH]2)cc1 3666265 AWJCAZXSXJNEJA-UHFFFAOYSA-N 412.492 6.931 0 40 HKAB Cc1ccc(C)c(N2C[C@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1 4033363 GMOAUFLKXNKLEG-HXUWFJFHSA-N 413.496 5.361 0 40 HKAB CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(C(C)C)cc1)C(C)(C)N2 4567788 NWCSRYQSSOCRMP-GYHWCHFESA-N 410.608 6.892 0 40 HKAB CCCCC(=O)N1c2ncnn2[C@H](c2ccccc2OC)C[C@H]1c1ccc(Cl)cc1 4816971 OWEKXOURCQVWPV-PMACEKPBSA-N 424.932 5.198 0 40 HKAB CCOc1ccccc1NC(=S)N1CCC[C@@H](c2nc3cc(C)c(C)cc3[nH]2)C1 4858928 PCXINWUSMNEJAK-QGZVFWFLSA-N 408.571 5.155 0 40 HKAB Cc1ccc(-n2c(-c3ccc(Cl)cc3)cs/c2=N\C(=O)c2ccccc2)cc1 4869406 MBGZFLSFOVRVDR-BZZOAKBMSA-N 404.922 5.909 0 40 HKAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(OC)cc1 5100298 JOISNPIUMWBLJU-NGQVCNFZSA-N 424.481 5.512 0 40 HKAB CCCCN(CCCC)CCSCCSCCN(CCCC)CCCC 5699300 QHAQVNKPEREDDT-UHFFFAOYSA-N 404.774 6.257 0 40 HKAB Cc1nc(Cc2nnc(SCC(=O)c3ccc(C4CCCCC4)cc3)o2)cs1 5833095 FOIJRSRYODYDGR-UHFFFAOYSA-N 413.568 5.448 0 40 HKAB CCCCN(CCCC)C[C@H](O)c1ccc(-c2ccc(Br)cc2)cc1 5973421 HUWMYWKVOFMCHZ-QFIPXVFZSA-N 404.392 6.052 0 40 HKAB CCCCc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 6218947 GLXATLGJFVCYJP-UHFFFAOYSA-N 412.327 5.962 0 40 HKAB CCc1ccc(NC(=O)[C@H](C)Sc2nnc([C@@H](C)Oc3ccc(F)cc3)o2)cc1 6374504 DZTUEOVDQVHVCP-KGLIPLIRSA-N 415.490 5.030 0 40 HKAB O=C(CSc1ncc(-c2ccccc2)n1C(=O)C1CCCCC1)Nc1ccccc1 6446851 KNRMPHWQFXWEBK-UHFFFAOYSA-N 419.550 5.501 0 40 HKAB Cc1ccccc1N(C(=O)[C@@H]1COc2ccccc2O1)c1nc2ccccc2s1 6579062 DFQIMFRBAJDJGA-FQEVSTJZSA-N 402.475 5.109 0 40 HKAB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C(\CC(=O)O)c1nc2ccccc2o1 7813933 LCSPSMYPRATIIF-LFIBNONCSA-N 407.857 5.050 0 40 HKAB Cc1nc(-c2ccc(CNC(=O)c3ccc(F)cc3Br)s2)cs1 7821440 FBENVKXQCURPPB-UHFFFAOYSA-N 411.321 5.012 0 40 HKAB Cc1onc(-c2ccccc2)c1C(=O)N(C1=N[C@@H](C)CS1)c1ccc(Cl)cc1 7983826 GKELNWVZTJUVJN-ZDUSSCGKSA-N 411.914 5.442 0 40 HKAB COc1ccccc1NC(=O)c1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1 7990437 SSZLACOXVUGJHM-UHFFFAOYSA-N 410.473 5.282 0 40 HKAB Cn1c(-c2ccccc2Cl)nn(CN(Cc2ccc(F)cc2)C2CC2)c1=S 8151455 AEIKVZVMLGOIOV-UHFFFAOYSA-N 402.926 5.033 0 40 HKAB O=C(COc1c(Cl)cccc1Cl)N[C@@H](c1ccc(F)cc1)c1cccs1 8557373 TYFLJPMMKSHJIN-SFHVURJKSA-N 410.297 5.479 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)n1cnc2sc(-c3ccccc3)cc2c1=O 8717830 JCBAWMWVUKYFLU-AWEZNQCLSA-N 423.925 5.287 0 40 HKAB Cc1ccc(OCc2nnc(NC(=O)C(c3ccccc3)c3ccccc3)s2)cc1 8771754 UUNAVZYDCOUUKK-UHFFFAOYSA-N 415.518 5.196 0 40 HKAB Clc1cccc(Cl)c1CSc1nnc(-c2ccccc2Br)o1 9057521 OJMOEWMZMOWPGD-UHFFFAOYSA-N 416.127 6.098 0 40 HKAB Cc1ccc2cc(CN(C(=O)C3CCCCC3)c3cccc(C)c3C)c(=O)[nH]c2c1 9462982 PMEOQIIMSKJDAP-UHFFFAOYSA-N 402.538 5.567 0 40 HKAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1NC(=O)c1ccco1 9496583 LCLVYOWUDVCJDG-IBGZPJMESA-N 424.500 5.998 0 40 HKAB CCCCCC(=O)Nc1ccc(-c2nc3cc(CC)cc(Br)c3o2)cc1 10119747 FGWVEFLMZQOCCK-UHFFFAOYSA-N 415.331 6.339 0 40 HKAB CC(=O)O[C@@H](COc1cccc2cccnc12)Cn1c2ccccc2c2ccccc21 11667616 OVWQZZSNAMLNBE-HXUWFJFHSA-N 410.473 5.353 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(F)c(F)c2)cc1 12196561 CQBOASORTGPFAK-ZJSXRUAMSA-N 422.431 5.224 0 40 HKAB Cc1noc(C)c1CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 12608993 QWBQBLKLVCAICR-UHFFFAOYSA-N 410.930 5.409 0 40 HKAB Clc1cccc(Cl)c1CSc1nnc2c3c4c(sc3ncn12)CCC4 13690495 IQIOKESYUPNEJY-UHFFFAOYSA-N 407.351 5.427 0 40 HKAB Cc1cc(O)cc2c1O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C=C2 14767663 FEGYJQTVMVOWKC-BCQCSXDESA-N 400.647 8.304 0 40 HKAB biogenic Cc1nn(-c2ccccc2)c2nc3c(c(C)nn3-c3ccccc3)c(-c3ccccc3)c12 16266066 FKSNKFAIIOZTON-UHFFFAOYSA-N 415.500 6.043 0 40 HKAB Cc1cc(C)cc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)c1 16841066 FXDNXXXWAJFMSA-UHFFFAOYSA-N 417.328 5.452 0 40 HKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3nc(-c4ccccc4)c(C)s3)n2)cc1 17092787 HNSXKZXRYGRWLT-UHFFFAOYSA-N 421.569 7.255 0 40 HKAB Cc1cc(C[C@@H]2COC[C@H]2N(Cc2ccc(F)cc2)Cc2cccc(Cl)c2)on1 19120621 WHEXPWXIUYGSDW-AUSIDOKSSA-N 414.908 5.035 0 40 HKAB CC(C)(C)[C@H]1C/C(=C\c2ccc3c(c2)OCO3)c2nc3ccccc3c(C(=O)O)c2C1 19229881 AUMBAGOVHVKCGZ-KGZWWPETSA-N 415.489 5.811 0 40 HKAB O=C(c1ccccc1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19368779 GVANOLNCKPWBJJ-QHCPKHFHSA-N 421.504 5.260 0 40 HKAB O=C(/C=C/c1ccccc1OC(F)F)Nc1ccc(SCc2cccnc2)cc1 22429810 DMVOLLROIRGVLG-KPKJPENVSA-N 412.461 5.627 0 40 HKAB COc1ccc(C(=O)N(Cc2ccco2)c2nc3c(C)c(C)ccc3s2)cc1OC 22901325 RIUZTXQDSNBHFV-UHFFFAOYSA-N 422.506 5.370 0 40 HKAB CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@H]3CC[C@]12C 35566880 TXUICONDJPYNPY-VECQHAMMSA-N 414.630 6.647 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCc1ccc(OC(C)C)cc1 44948644 WKCYOPHVXCFUHC-VWLOTQADSA-N 405.538 5.533 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=S)Nc1cccnc1Cl 57313946 UXZHRXQPWDZQDQ-CSKARUKUSA-N 418.305 5.175 0 40 HKAB Fc1ccc(C2=C[C@@H](c3ccccc3)n3nc(-c4ccc(Cl)cc4)nc3N2)cc1 100840494 NDXUOKAALQTQPV-NRFANRHFSA-N 402.860 5.794 0 40 HKAB COc1ccc(OC)c(NC(=O)CC23C[C@@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)c1 100970273 QOLFUKCWFCMJSP-UFINEARASA-N 405.538 5.571 0 40 HKAB O=C(c1ccccc1)c1ccc2c(c1)N=C1CCCC(O)=C1[C@@H]1c3ccccc3C(=O)N21 101695542 LEESQCZPCZPWQC-VWLOTQADSA-N 420.468 5.701 0 40 HKAB O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 113928956 HYZRTANCWKKQLC-UVSMYHIZSA-N 408.545 5.913 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCC 214138769 VYYLFXNQYPWJGG-LDADJPATSA-N 417.914 5.374 0 40 HKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccccc3Sc3ccccc3)N21 222689692 PHYKAUPOQSAPMW-PDIWNELESA-N 417.603 6.212 0 40 HKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1)c1ccc(OC)c(OC)c1 222939827 MZSAWTGMWWTDIO-LEWJYISDSA-N 413.558 5.426 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(C)c(Cl)c1 224184008 FHNAWULMLKLMGS-OAQYLSRUSA-N 403.950 5.299 0 40 HKAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccccc1C(C)C 224231899 JXZCQWWXPIUFOE-UHFFFAOYSA-N 421.562 6.372 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1CSc1ccccc1 224657709 PNYCFNIEBNALSX-HXUWFJFHSA-N 419.590 6.129 0 40 HKAB CCOc1ccc(-c2cnc(CCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1 224857867 XYFYAQLLQKSMOH-UHFFFAOYSA-N 405.281 5.618 0 40 HKAB CC[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(OC)cc1 225487575 JTEZPJKTVLQJCI-INIZCTEOSA-N 402.869 5.805 0 40 HKAB COc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCCC4)cc3)CCCC2)cc1 225531888 OWCGCUNUCYTHGV-UHFFFAOYSA-N 422.569 5.010 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1(c2ccccc2)CCOCC1 225629177 FPAXDMOMKWHUOJ-UHFFFAOYSA-N 407.897 5.819 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(Br)c(C)c1 225677995 IBQFEGICPPBWIV-QGZVFWFLSA-N 419.388 5.655 0 40 HKAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(OC)c(Cl)c2)cc1OCC 225749985 UKOGUHRKGFVLSW-CYBMUJFWSA-N 408.951 5.194 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OCC)c2)CCC[C@@H](C)C1 225854272 QYDMAFWGCGQNJD-QZTZHPFYSA-N 419.562 5.355 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c(C)n1 225864035 VGPJOFBABNYSTE-UHFFFAOYSA-N 407.341 5.936 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1N1[C@@H](C)CCC[C@H]1C 226330876 XHXPFYQADVHJPD-OKILXGFUSA-N 406.357 5.904 0 40 HKAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)C1c2ccccc2Oc2ccccc21 390829868 HEDIDADTHLVSIU-GOSISDBHSA-N 417.486 5.096 0 40 HKAB O=C1CS[C@@H](c2ccccc2OCc2ccccc2F)N1c1ccc(Cl)cc1 408557408 NFYDUTAIMCWXDA-QFIPXVFZSA-N 413.901 5.837 0 40 HKAB CCCc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(CC)c1-c1ccc(F)cc1 408562197 OCRJXVLYQCXSHQ-FLFQWRMESA-N 402.922 5.723 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(F)cc2)c(C)c1 408699767 ZFLAQWIQNSENJK-UHFFFAOYSA-N 414.484 5.559 0 40 HKAB Cc1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1 408726768 UKBBPVPTZWWUAZ-UHFFFAOYSA-N 403.485 6.253 0 40 HKAB CCc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 409115884 IBYVEFCENSOCGS-UHFFFAOYSA-N 420.767 7.400 0 40 HKAB COc1c(Cl)cc(Cl)cc1C[C@@H]1SC(=O)N(c2cccc(Cl)c2)C1=O 409139361 DAFMZADCRQKUMW-AWEZNQCLSA-N 416.713 5.467 0 40 HKAB Cc1ccc(OCc2nn(CC(=O)Nc3cc(Cl)cc(Cl)c3)c(=S)o2)cc1 409159738 WVCRCBKYUGTHDA-UHFFFAOYSA-N 424.309 5.039 0 40 HKAB Cc1ccc(C2=N/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=O)O2)cc1Cl 409204324 FJMKSTGZFRWADP-WSDLNYQXSA-N 421.855 5.711 0 40 HKAB COc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 409204584 AQXZABFHOBGRAV-UHFFFAOYSA-N 414.914 5.382 0 40 HKAB CCOc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OC(C)C 409352549 WPLKRUOVWUKZCM-ODLFYWEKSA-N 417.914 5.767 0 40 HKAB Cc1ccc(-c2cc(C(F)(F)F)nc(SCc3cccc4ccccc34)n2)cc1 409386039 QQNGPHHEIJFBIZ-UHFFFAOYSA-N 410.464 6.916 0 40 HKAB CCCOc1ccc(OC)cc1-c1ccc(C(=O)O)c(COc2ccc(C)cc2)n1 585265112 GSBCMFPAHVERPO-UHFFFAOYSA-N 407.466 5.132 0 40 HKAB O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 636219 JPZHKTDOUMSRTO-INIZCTEOSA-N 406.869 5.124 0 40 HKAB Cc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)c3ccccc3n2)s1 689293 TTWJJCOAPLVBES-UHFFFAOYSA-N 413.546 5.234 0 40 HKAB CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 1509331 IIIPGKONRFQDBQ-UHFFFAOYSA-N 412.514 6.240 0 40 HKAB CC[C@@H](C)OC(=O)COc1ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)coc2c1 1915047 JMJQZSJOBVPLRY-MRXNPFEDSA-N 424.493 5.603 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(OCC)cc2)sc2c1CCCCCC2 2083676 ZWEDEYUWRTUITJ-UHFFFAOYSA-N 401.528 5.235 0 40 HKAB Cc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2cccc(Cl)c2)cc1 2218867 RYQNIGZEMKWRBG-UHFFFAOYSA-N 405.954 6.497 0 40 HKAB C[C@H](NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1)c1ccccc1 2290595 ROTRGOQGNCWQAS-HNNXBMFYSA-N 422.248 6.910 0 40 HKAB O=c1c2c(nc(SCc3ccc(C(F)(F)F)cc3)n1-c1ccccc1)CCS2 2719714 GQTCFUPHWCVOPF-UHFFFAOYSA-N 420.481 5.192 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc12 2753809 FSPKCBOHZKPEDO-UHFFFAOYSA-N 403.279 5.917 0 40 HKAB COc1cccc2cc(-c3cn(-c4cccc(C(F)(F)F)c4)c(=S)[nH]3)c(=O)oc12 2957845 CGKCORQHSGHLHJ-UHFFFAOYSA-N 418.396 5.336 0 40 HKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cnc(Cl)c(Cl)c1 3293835 BURFELLFTJCOJY-UHFFFAOYSA-N 400.290 5.917 0 40 HKAB COc1cc(CNCc2cccnc2)ccc1OCc1ccc(Cl)c(Cl)c1 4413615 QWMXOACWEZVXQR-UHFFFAOYSA-N 403.309 5.266 0 40 HKAB COCc1cc(C)nc2sc3c(c12)N=C(c1ccccc1)O[C@H]3c1ccccc1 4709189 BEXSUXWTLJGQLG-NRFANRHFSA-N 400.503 5.949 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 4985125 NRLCZUDRRBTFJS-KKLQWCBXSA-N 422.521 5.078 0 40 HKAB COc1ccc(C=NNc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)cc1 5002837 GWZAMKMNJBNMTJ-UHFFFAOYSA-N 414.896 5.919 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3C[C@H](C(=O)O)[C@@](C)(CCC(=O)O)[C@@H]3CC[C@@]21C 5029310 ZXBHRPYRWXWPFH-MBXRDHROSA-N 420.634 6.483 0 40 HKAB CCCO[P@@](=O)(OC=C(Cl)Cl)O[C@](C)(CC)C(Cl)(Cl)Cl 5431486 FQKMTSBABMRBHT-YBYGRFCBSA-N 408.473 6.370 0 40 HKAB CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccs4)=NN32)cc1 5547608 PXNQWUDHCGTFAP-WMZHIEFXSA-N 406.507 5.398 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 5676909 HGRDMXNKRGVJKG-PMAPCBKXSA-N 422.521 5.471 0 40 HKAB CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)c1 5984508 WLDCLTZKZUCTQO-SNVBAGLBSA-N 413.326 5.003 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2C)n1 6278568 CGBFECYVFRHIIA-UHFFFAOYSA-N 414.292 5.510 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3[nH]c(=S)n(-c4ccccc4OC)c(=O)c23)C1 6496751 CJCABPRSJBSCBX-ZDUSSCGKSA-N 414.596 5.659 0 40 HKAB CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1 6630763 VRWDGNVQWYHJDH-UHFFFAOYSA-N 404.510 5.332 0 40 HKAB O=C(NC1CCCCC1)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 6678095 FPXBNROTTLYIOD-UHFFFAOYSA-N 419.575 6.149 0 40 HKAB Cc1ccc(C(=O)NCCSc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1 6814345 YACMPXVFLYTSAQ-UHFFFAOYSA-N 404.510 5.805 0 40 HKAB CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)c3cc4ccccc4o3)cc2)cc1 7562834 YEWPOXODGILPRH-UHFFFAOYSA-N 414.413 5.065 0 40 HKAB COc1ccc(-c2c(C)nn3c(N[C@@H](C)c4ccccc4)cc(C)nc23)cc1OC 7636184 VDIMQWIOIHKVNO-INIZCTEOSA-N 402.498 5.203 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)cc2)cc1 7882392 ODAXYTKAEQMTHI-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1ccc(Oc2ccccc2)cc1 9404537 KTIUTQGXMXUGHU-UHFFFAOYSA-N 422.509 6.593 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(-c2cccs2)on1 9597886 OGUHDMLZDUDYLA-UHFFFAOYSA-N 424.503 5.561 0 40 HKAB O=C(CSc1ncnc2ccccc12)N[C@H](c1ccccc1)c1ccc(Cl)cc1 9670275 MHAUWSKRRJPTRW-JOCHJYFZSA-N 419.937 5.281 0 40 HKAB CCc1ccc(-c2nc(C(=O)Nc3cc(OC)c(OC)cc3Cl)cs2)cc1 10592425 RHURQELYCOFDIG-UHFFFAOYSA-N 402.903 5.295 0 40 HKAB CCCCOc1cccc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)c1 10748039 OFMAQOXOYIRPBR-UHFFFAOYSA-N 422.506 5.996 0 40 HKAB COc1ccc2c(=O)c(Oc3ccc(C(=O)Nc4c(C)cccc4C)cc3)coc2c1 12442401 FVOOEVFKMWUPIY-UHFFFAOYSA-N 415.445 5.463 0 40 HKAB biogenic COC(=O)c1c(C)[nH]c(C(=O)CN[C@@H](c2ccc(C3CCCCC3)cc2)C(C)C)c1C 13004701 IWKIMXQEKZNVNJ-XMMPIXPASA-N 424.585 5.635 0 40 HKAB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccc2ccccc2n1 14199764 MYNURMSAMBRWQK-UHFFFAOYSA-N 418.500 5.077 0 40 HKAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 16687858 DBWDDKUZRXOPRP-ACCUITESSA-N 409.869 5.737 0 40 HKAB CC[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)C(=O)OC 16757573 QFMNVPDZXSIUEG-LJQANCHMSA-N 403.507 5.131 0 40 HKAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 17092948 KZVKMIBEIAEZIF-ZDUSSCGKSA-N 422.381 5.499 0 40 HKAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 18009337 RQISENVXGMLHHB-UHFFFAOYSA-N 416.230 5.021 0 40 HKAB Cc1ccc(Cn2c(=N)n(CC(=O)c3ccc(Cl)c(Cl)c3)c3ccccc32)cc1 19879846 CMCNQNLQAYXXQA-UHFFFAOYSA-N 424.331 5.469 0 40 HKAB CCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1 20414423 IDBSTXMFMBVIMF-UHFFFAOYSA-N 400.478 6.153 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(OCCSc2ccccc2)cc1 20483615 XYLGDESXZXVGLN-UHFFFAOYSA-N 418.345 6.417 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1 20612075 JJVGZSXMABHXCG-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2ccccc2)n2c(nc3ccccc32)N1 20970393 YRQJWBJDTNJMIA-QFIPXVFZSA-N 414.896 5.617 0 40 HKAB Cc1nc(-c2ccco2)nc2sc(C(=O)N3CCCSc4ccccc43)c(C)c12 26026400 MSEJGQQBRIDZNZ-UHFFFAOYSA-N 421.547 5.711 0 40 HKAB O=C(Nc1ccc(Cl)cc1F)c1ccccc1OCc1nc(-c2ccccc2)no1 32578644 RFRUEEHKLXFBOY-UHFFFAOYSA-N 423.831 5.360 0 40 HKAB Cc1ccc(-c2nc(NC(=O)c3ccccc3)sc2NC(=O)c2ccco2)cc1 32624661 OBNQPQJYDTWNKW-UHFFFAOYSA-N 403.463 5.216 0 40 HKAB C[C@H](Nc1ccc(Oc2ccccc2Cl)cc1)C(=O)Nc1c(F)cccc1F 32855912 HSDJKPUMYRXUEW-ZDUSSCGKSA-N 402.828 5.850 0 40 HKAB O=C(COc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)Nc1ccccc1Cl 33327340 ALZSTUSSDLGPPP-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB COc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 33547105 CQUSKDGTOZDUCP-UHFFFAOYSA-N 414.864 5.117 0 40 HKAB Cc1c(Cl)cccc1NC(=O)Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1 35597390 NPLPMOVSUMDISS-UHFFFAOYSA-N 419.876 5.012 0 40 HKAB O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1ccc(Br)cc1 35647601 SWXGDAFIZJZHTA-WOJGMQOQSA-N 409.308 5.494 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(C)c2C)CC1 38772307 KWWRIZIPGBVZBJ-NRFANRHFSA-N 402.991 5.176 0 40 HKAB CCc1cccc(CC)c1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38856226 PIPISDBBZCMKDC-UHFFFAOYSA-N 419.396 5.969 0 40 HKAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccccc1OCc1ccccc1 44875010 MMOYAVRZBYQPLA-UHFFFAOYSA-N 414.549 5.182 0 40 HKAB CCC1CCC(N(C(=O)c2ccc(OCc3cscn3)c(OC)c2)C2CC2)CC1 48325562 XMKQKMKFIFNAOQ-UHFFFAOYSA-N 414.571 5.304 0 40 HKAB CC(C)[C@H](N[C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc(C2CCCCC2)cc1 49590266 OGZOQJPESBARSQ-UUOWRZLLSA-N 403.570 6.019 0 40 HKAB O=C(O)/C(=C/c1ccc(OCc2ccccc2)cc1)Sc1nc2ccccc2[nH]1 50547749 AQOPBDSPFZQCJC-STZFKDTASA-N 402.475 5.360 0 40 HKAB COc1ccc(N2C(=O)CC[C@@H](Sc3ccc(C)cc3)[C@H]2c2ccccc2)cc1 65090569 CGRQLGWTWPXMCZ-ILBGXUMGSA-N 403.547 6.033 0 40 HKAB O=C(CN1CCCCC[C@@H]1C[C@@H](O)c1ccccc1)Nc1ccccc1C(F)(F)F 79052024 CVFSFZOCGDMFRB-WIYYLYMNSA-N 420.475 5.012 0 40 HKAB CN(C)c1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cccs4)C3=C(O)C2)cc1 100429214 DYHIJTJYHJAKNN-NSYGIPOTSA-N 415.562 6.443 0 40 HKAB Brc1cccc([C@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)c1 101100943 LMDDGDLLILQVSQ-PZJWPPBQSA-N 404.311 5.945 0 40 HKAB C[C@@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2/C(=C\C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C)C(C)(C)O 101531814 BPKAHTKRCLCHEA-WTPNZDKRSA-N 416.646 5.561 0 40 HKAB in-vitro Cc1ccc(C2=NN3[C@H](c4ccc(F)c(F)c4)Oc4ccc(Cl)cc4[C@H]3C2)o1 102724862 VCNYDSVIWOARLV-NQIIRXRSSA-N 400.812 5.762 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@@H](c4ccsc4)C3=C(O)C2)cc1OC 102737960 WIXPAIRCLDFMJA-QVKFZJNVSA-N 422.506 5.669 0 40 HKAB COc1ccc(NC2=NC(=O)S/C2=C/c2cccc(OCc3cccnc3)c2)cc1 103501414 DNYWJZRZWZGNSG-FYJGNVAPSA-N 417.490 5.388 0 40 HKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 222686267 GWCBQUTZYAHBKJ-HNNXBMFYSA-N 404.963 5.379 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CCCSc3ccc(Cl)cc3)ccc21 222689069 DMRQLHOSGFVJSO-UHFFFAOYSA-N 422.981 6.979 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCSc1ccc(Cl)cc1 222695605 VWHUHDAPPAZVFK-IBGZPJMESA-N 419.974 5.640 0 40 HKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(OCC)cc2)o1 222892733 BTDQJLGTEBHLSS-VXKWHMMOSA-N 407.539 5.123 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1 222925787 NEBKLFFBVANTMT-JOCHJYFZSA-N 411.542 5.737 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C(C)C 223318295 TXAJYXQCBSMUPB-MOPGFXCFSA-N 411.586 6.069 0 40 HKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223344080 WNZNAAWTSOESBQ-HRAATJIYSA-N 403.950 5.815 0 40 HKAB CC(C)(C)c1ccc(OCCNC(=O)CCCSc2ccc(Cl)cc2)cc1 223657391 ZQAJSKBAAGZFKV-UHFFFAOYSA-N 405.991 5.705 0 40 HKAB O=C(NCCSCc1ccc(Cl)cc1Cl)C1(c2ccccc2)CCOCC1 223933205 JSGVLPSLFADPNI-UHFFFAOYSA-N 424.393 5.091 0 40 HKAB Cc1nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)ccc1Cl 223995802 RXJVTNAJWOJLTO-UHFFFAOYSA-N 408.398 5.885 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccccc1C(C)(C)C 224166973 GUNRDVUGHPYZOU-IBGZPJMESA-N 417.549 6.063 0 40 HKAB COc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccccc1C(C)(C)C 224168100 UCLBORLTRKOBBZ-UHFFFAOYSA-N 417.549 6.441 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1ccccc1OC 224575598 RSAWFWHGNROUSZ-UHFFFAOYSA-N 405.494 5.488 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1CSc1ccccc1 224651821 CSJHJCMEWWXWKG-UHFFFAOYSA-N 411.954 6.592 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1CSc1ccccc1 224656903 HYECMCVIYXURAU-UHFFFAOYSA-N 405.563 6.555 0 40 HKAB Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 225026185 GFBFCQCBJVDCIT-FGZHOGPDSA-N 407.514 5.396 0 40 HKAB S=C(NCc1ccc(Cl)cc1)Nc1cccnc1Sc1ccc(Cl)cc1 225190677 XSUYMUDIRBYCDQ-UHFFFAOYSA-N 420.390 6.026 0 40 HKAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCc1c(Cl)cccc1Cl 225364459 WCLTWBXOJUIPGM-UHFFFAOYSA-N 424.715 5.288 0 40 HKAB CCc1ccc([C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 225702977 IHYZNXPKRUGVOY-IBGZPJMESA-N 405.563 5.911 0 40 HKAB COc1ccc(-c2nnsc2C(=O)Nc2ccccc2Oc2ccccc2)cc1 225763705 QGSNTJVGPGCFMK-UHFFFAOYSA-N 403.463 5.258 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225847726 YLBHMOVXDXRITE-UZUQRXQVSA-N 407.551 5.355 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)c2ccccc12 225926687 YDTBWBFHRTVZBC-UHFFFAOYSA-N 420.553 5.138 0 40 HKAB C[C@H]1[C@@H]2[C@H]3OC[C@]1(COC(=O)NC1CCCCC1)[C@H](C)C[C@@]2(C)Oc1ccccc13 229984881 HTEHTVFZNJDZHV-FRVFUCQYSA-N 413.558 5.246 0 40 HKAB biogenic C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccc(F)cc1)C[C@]2(C)NC(=O)Cc1ccc(F)cc1 257231666 GHSPRQHTXCTILT-MSVQFQDFSA-N 413.508 5.349 0 40 HKAB O=C(Nc1ccccc1F)c1cc(Br)ccc1OCc1ccccc1 408586262 MITROAGKMZQHER-UHFFFAOYSA-N 400.247 5.420 0 40 HKAB COc1c(C)cccc1C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 408620499 GPCDUPJIONINMD-UHFFFAOYSA-N 403.301 5.142 0 40 HKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc(F)c2)nc1-c1ccccc1 408699129 VBICTNQVNCRMGM-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB O=C(Nc1ccccc1Br)c1ccc(CSCc2ccccc2)cc1 408772731 MVLCFKHJMQCFNI-UHFFFAOYSA-N 412.352 6.135 0 40 HKAB CCOc1cc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)cc(Cl)c1O 408804200 DBMFNSMXPDQSHN-UHFFFAOYSA-N 424.329 5.169 0 40 HKAB O=C(Nc1cccc(Br)c1)/C(=C/c1ccccc1Cl)c1ccccc1 408926401 SSJFDTHTRSZKQP-CPNJWEJPSA-N 412.714 6.282 0 40 HKAB O=C(CCSc1ccccc1)NCCSCc1ccc(Cl)cc1Cl 408927542 WVYLYZKVCNWWHR-UHFFFAOYSA-N 400.396 5.525 0 40 HKAB Cc1ccc(NCc2c(OCc3cccc(Cl)c3)ccc3ccccc23)c(C)c1 409110784 YPBLTHMMTYHLFZ-UHFFFAOYSA-N 401.937 7.301 0 40 HKAB O=C(CCC(=O)OC(c1ccccc1)c1ccccc1)Nc1cccc2ccccc12 409175518 ZVUOPIHZMPTHBU-UHFFFAOYSA-N 409.485 5.891 0 40 HKAB CC(C)=CCC[C@]1(C)Oc2c(-c3cccc(C(=O)O)c3)cccc2[C@@H]2OCCC[C@H]21 585265627 NBADFERONBHAOD-CWDLOFLHSA-N 406.522 6.417 0 40 HKAB COc1cc([C@H]2CC(=O)c3c(ccc4ccccc34)N2)ccc1OCc1ccccc1 844696 KJDGNHBSZTUIEI-HSZRJFAPSA-N 409.485 6.167 0 40 HKAB Cc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(F)cc2)cc1 1359221 KVWWNWZAWYMHHE-UHFFFAOYSA-N 414.480 5.127 0 40 HKAB COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1cccc(OC)c1 2101728 LTTUHMTVZINRIM-UHFFFAOYSA-N 401.871 5.116 0 40 HKAB CCc1ccccc1NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O 2148960 XOCOWGGFCKSJTD-UHFFFAOYSA-N 403.478 5.598 0 40 HKAB biogenic CC(C)Cc1nc2sc3c(SCc4ccc(F)cc4)ncnc3c2c2c1CCC2 2231571 AGKDEVCIAHTPNK-UHFFFAOYSA-N 423.582 6.358 0 40 HKAB CCCCc1nc2sc3c(NCc4ccccc4)ncnc3c2c2c1CCCC2 2265957 QCMTYQIQQVWUDN-UHFFFAOYSA-N 402.567 6.073 0 40 HKAB O=S(=O)(c1ccc(F)cc1)N1C=Cc2ccccc2[C@H]1c1c[nH]c2ccccc12 2279850 UBRRFKGGQKROEQ-QHCPKHFHSA-N 404.466 5.072 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@H](C(C)C)OC3 2316822 CPKMHGZNBBDPKX-QGZVFWFLSA-N 414.596 5.355 0 40 HKAB CCCCSc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1 2385035 LTTJCNMURCPMLD-UHFFFAOYSA-N 421.385 6.203 0 40 HKAB C[C@@H](c1ccccc1)n1c(N)c(C(=O)OC2CCCCC2)c2nc3ccccc3nc21 2422170 FTJQIEFGVZOALQ-INIZCTEOSA-N 414.509 5.266 0 40 HKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1CC 2452388 MRXOLQFKIRCQQP-UHFFFAOYSA-N 414.962 5.220 0 40 HKAB COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)cc1 2648703 DZWZIHWGJLLCAL-UHFFFAOYSA-N 414.383 5.219 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H](N[C@@H]1CCCc2ccccc21)c1ccccc1 3323115 MMMCGYFIOQKTDP-RCZVLFRGSA-N 400.522 5.351 0 40 HKAB Cc1ccc(Nc2nc(CSc3nc(COc4ccc(C)cc4)n[nH]3)cs2)cc1 3408720 LSVKIUBBRFYVRJ-UHFFFAOYSA-N 423.567 5.493 0 40 HKAB CCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(Cl)cc1 4328778 RIJQEBLDBFXVAF-UHFFFAOYSA-N 414.962 5.356 0 40 HKAB CC(C)CC[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 4556508 RZPAXNJLEKLXNO-XXMWVVALSA-N 402.663 6.360 0 40 HKAB C[C@@H](NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1)C12CC3CC(CC(C3)C1)C2 4699757 XNQJAEJOQQPWSP-JIEKGTPASA-N 411.398 5.203 0 40 HKAB Fc1ccc(NC(=S)N(CCc2nc3ccccc3[nH]2)Cc2ccccc2)cc1 4861858 VMBNPKCWWSLDJF-UHFFFAOYSA-N 404.514 5.144 0 40 HKAB Cc1ccc(C(=O)CSc2ncnc3c(-c4ccc(Cl)cc4)nsc23)cc1 4886024 ZXUOYAHQYHUFCD-UHFFFAOYSA-N 411.939 5.690 0 40 HKAB CCc1c(C)sc2nc(C(C)C)nc(SCC(=O)NCc3cccs3)c12 4888839 LYVVEMCYPAVEHX-UHFFFAOYSA-N 405.614 5.156 0 40 HKAB Fc1ccccc1C1=NN2[C@@H](C1)c1ccccc1OC21CCC(c2ccccc2)CC1 5093540 KMNFFBBZFZKDLA-DEQUOLNYSA-N 412.508 6.423 0 40 HKAB COc1ccc(/C=C/C2=Nc3ccccc3N=C(/C=C/c3ccc(OC)cc3)C2)cc1 5526844 WMRUTLDUZFWNCD-FNCQTZNRSA-N 408.501 6.679 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2c(C)cccc2CC)cc1OC 6152432 KKAOPZKPXALJHZ-UHFFFAOYSA-N 406.320 5.370 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1C 6613853 BOCHGHIVZDCHLO-UHFFFAOYSA-N 417.559 5.707 0 40 HKAB COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1F 6649369 KXAPUEHTMLSTMY-UHFFFAOYSA-N 415.490 5.166 0 40 HKAB Cc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)cc2Cl)cc1 6810674 LLBFCRQKKIAVAB-UHFFFAOYSA-N 404.293 5.503 0 40 HKAB aggregator COc1ccc(-c2cnnn2-c2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1 6940623 ZMHRVRRGLNTHPY-UHFFFAOYSA-N 410.502 5.733 0 40 HKAB CC(C)[C@@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc2ccccc2[nH]1 7990670 PCXJLFRIDSRKOJ-HXUWFJFHSA-N 418.522 5.004 0 40 HKAB O=C(c1ccc(COc2ccccc2)o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8074412 FEBBPDNZSHEZDH-QGZVFWFLSA-N 418.518 5.488 0 40 HKAB COc1cc(C)c(C[C@@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1C(C)C 8333875 ZGZAOAHYURTXSU-IBGZPJMESA-N 403.931 5.592 0 40 HKAB COc1cccc(CNCc2cccs2)c1OCc1ccc(Cl)cc1Cl 8495454 UQVIUMCIKJYXJI-UHFFFAOYSA-N 408.350 5.932 0 40 HKAB Cc1c(C(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)oc2ccccc12 8824668 MWHHRHJNGMULJL-UHFFFAOYSA-N 424.806 5.124 0 40 HKAB COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)Cc3ccccc3)nc12 9708986 ZUSQJEDRVYGZBY-UHFFFAOYSA-N 423.925 5.129 0 40 HKAB CCc1ccc(OCC(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 10120437 NIQQNLZRDGTUHH-UHFFFAOYSA-N 414.505 5.369 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@@](=O)(Nc1ccc(N(C)C)cc1)c1ccccc1 12559237 MTFNCAWTWQWUQM-XTVRUMMYSA-N 414.530 6.161 0 40 HKAB O=C(Cc1csc(-c2ccsc2)n1)N[C@H](Cc1ccccc1)c1ccccc1 12752053 FUSIUOGDWBVJNQ-OAQYLSRUSA-N 404.560 5.514 0 40 HKAB C[C@@H]1[C@H](c2cccc3ccccc23)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 12857351 ONLWOWZCJPRUQU-OJTSAMLISA-N 401.506 5.541 0 40 HKAB Cc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 13628213 YRJHGCVFDCDFDS-SFQUDFHCSA-N 412.533 6.197 0 40 HKAB CCCCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 13628752 KUJNZURNGDODNW-UHFFFAOYSA-N 411.571 5.240 0 40 HKAB O=C(Nc1cccc(Br)c1)c1ccc(OCc2ccccc2Cl)cc1 13687475 CJLHCIYBYFEPRL-UHFFFAOYSA-N 416.702 5.934 0 40 HKAB C[C@@H](OC(=O)c1cc2cc(F)ccc2s1)C(=O)c1ccc(Br)cc1 14123673 YDMQDSJBEKGHLH-SNVBAGLBSA-N 407.260 5.231 0 40 HKAB O=C1S/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)N1c1ccccc1 16488271 NASKQAUXACJRGG-STZFKDTASA-N 421.905 6.160 0 40 HKAB COc1ccc(Cl)cc1NC(=O)CSc1ncc(-c2cccc(Cl)c2)o1 16841048 ADMQIDUCFFLUBG-UHFFFAOYSA-N 409.294 5.388 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)ccc21 20499109 SZKFWOZZMHUSDN-LJQANCHMSA-N 414.549 6.652 0 40 HKAB CC(C)C[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccccc1 22518653 BSJBFJOENZSAHH-VWLOTQADSA-N 419.590 6.375 0 40 HKAB Cc1ccc(-c2noc(CSc3ccc(-c4cccc(Cl)c4)nn3)n2)cc1C 33021935 NXDXGDCASSSPKD-UHFFFAOYSA-N 408.914 5.756 0 40 HKAB CC1CCN(C(=S)c2ccc(OCc3ccc(Br)cc3)cc2)CC1 33653130 TUWFJIBXXOFGKT-UHFFFAOYSA-N 404.373 5.436 0 40 HKAB Cc1ccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 33708294 XNJKRYFKTGJZDP-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB C[C@@H](NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)c1cccc(Br)c1 58715933 BEPXHMNNWRJSPV-GFCCVEGCSA-N 415.253 5.371 0 40 HKAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc(Br)cc3)o2)cc1 67321284 SLJDXFOUPQNNNG-LBPRGKRZSA-N 403.301 5.171 0 40 HKAB COc1ccc(-c2c/c(=N/c3ccc(Br)cc3)c3cc(C)ccc3o2)cc1 102926112 KUMAFKSQIWFHGK-DAFNUICNSA-N 420.306 6.412 0 40 HKAB CC1(C)C[C@H](NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c2ccccc2O1 219771339 XAHHZBICJJGFTP-NRFANRHFSA-N 421.924 5.951 0 40 HKAB CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)ccc1Cl 223030064 PZKYGJMTGJKYJP-SFHVURJKSA-N 410.297 5.275 0 40 HKAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C 224461522 VRXWVVKBBDJMJM-LEWJYISDSA-N 410.974 5.350 0 40 HKAB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1ccc(Cc2ccncc2)cc1 224557350 ZTALGCCUSJNDQP-UHFFFAOYSA-N 421.500 5.205 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(N2CCCCC2)cc1 224976645 HCSUZWZSXIBHGM-UHFFFAOYSA-N 409.382 5.856 0 40 HKAB COc1ccc(NC(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)cc1 225338874 ZPRZBERHBNQNQK-UHFFFAOYSA-N 401.491 5.062 0 40 HKAB COc1cc(CNC(=S)Nc2ccc(Br)c(C)c2)ccc1OC(C)C 225531011 VYTIHMOKPLFTCH-UHFFFAOYSA-N 423.376 5.040 0 40 HKAB Cc1cc(-c2ccc(C(=O)Nc3ccc(N)cc3Cl)o2)ccc1Br 227157735 ZJLQQZVEAFYBEQ-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2cccc(C)c2C)cc1 408693630 BFTZDUBGUPTLBQ-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(Cl)cc2)c1 408694336 JDSQXOJTPXJSBV-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)c(C)c3)n2)c1 408698962 QJRZLUXQEHKQPT-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-c2sc(NC(=O)c3ccc(F)cc3)nc2-c2ccccc2)cc1C 408834672 UWYTWYFTWRVQDK-UHFFFAOYSA-N 402.494 6.485 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c(C)c1 409115949 JYGOFSXPYFQIES-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 521954540 YBGAVQBLNTUGSC-MDZRGWNJSA-N 415.415 5.175 0 40 HKAB O=C(c1ccc(Cl)c(F)c1)N1CCC[C@]2(CCCN2Cc2ccc(F)cc2)CC1 585100431 WSVHWELGLWQAAV-QHCPKHFHSA-N 418.915 5.279 0 40 HKAB COc1ccc(Oc2coc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)cc1 945052 WLICGUVESIHQHX-UHFFFAOYSA-N 408.837 5.826 0 40 HKAB biogenic Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)n1 997720 PVMBMMQHYIEIHP-UHFFFAOYSA-N 408.288 6.164 0 40 HKAB Cc1ccc([C@@H](CC(=O)NCCc2ccccc2)c2ccc(OC(C)C)cc2)cc1 1321469 AUNQBWIYTIBORR-AREMUKBSSA-N 401.550 5.663 0 40 HKAB biogenic Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)C(F)(F)F)c2ccccc2)s1 1365921 XWFKJDHMCSLLQG-GOSISDBHSA-N 424.488 5.142 0 40 HKAB O=C(NC1CC1)c1cnc(-c2ccccc2)nc1Sc1cccc(C(F)(F)F)c1 1404989 GMKFBAPEBYTVNN-UHFFFAOYSA-N 415.440 5.206 0 40 HKAB O=C(Nc1ccccc1)Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1661305 WOTIYKVHGXYESS-UHFFFAOYSA-N 401.529 7.278 0 40 HKAB O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 1694590 QHFDSZUYDHUQHL-UHFFFAOYSA-N 405.453 5.875 0 40 HKAB in-vitro Cc1ccc(C)c(Oc2coc3cc(OCc4ccccc4Cl)ccc3c2=O)c1 1774628 SCROGKPHFITPBT-UHFFFAOYSA-N 406.865 6.435 0 40 HKAB CCc1c(C)sc(NC(=O)c2sc3ccccc3c2Cl)c1C(=O)OC(C)C 2085458 YAVMJYLDFYBELZ-UHFFFAOYSA-N 421.971 6.305 0 40 HKAB Cc1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3cnc4ccccc4c3)sc2n1 2603022 DLYKOKCAPCVIOE-UHFFFAOYSA-N 402.401 5.006 0 40 HKAB CCc1cccc2c(C(=O)CSc3nnc(NCc4ccccc4)s3)c[nH]c12 2643098 KORMTXWEVHJKQC-UHFFFAOYSA-N 408.552 5.169 0 40 HKAB FC(F)Oc1ccc(-c2c[n+](-c3cccc(C(F)(F)F)c3)c3n2CCCCC3)cc1 2684305 VWBJWUHWYHBKQY-UHFFFAOYSA-N 423.405 5.778 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)c(Cl)c2)cc1 2741716 IMCVFYPLVXLICS-UHFFFAOYSA-N 408.885 5.172 0 40 HKAB CC[C@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C(=O)OC)C1 2742108 KWNWZXRRKOPJLV-NSHDSACASA-N 422.344 5.064 0 40 HKAB O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1Cc1ccco1 2970193 WOEIZOXFZDXFJC-UHFFFAOYSA-N 400.862 5.123 0 40 HKAB O=C(Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2)c1ccccc1 3100239 QYNACAUPTHISJB-UHFFFAOYSA-N 410.926 5.785 0 40 HKAB Cc1ccccc1Cn1c(-c2cccnc2Cl)nc2cc(Cl)c(Cl)cc21 3135060 YMZQLZABBQELOY-UHFFFAOYSA-N 402.712 6.415 0 40 HKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(SC(F)F)cc3)cc12 3191387 OYNZKRQRRCJWSK-UHFFFAOYSA-N 415.490 5.962 0 40 HKAB Cc1ccc(-c2csc3nc(SC(F)F)n(-c4ccccc4)c(=O)c23)cc1 3267809 UUFWSYUFPYSMFB-UHFFFAOYSA-N 400.475 5.737 0 40 HKAB COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)cc1OC 4184534 SUHTYTUKAFOUQS-DFBJGRDBSA-N 401.531 6.234 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4293027 MHYKVQQPBSKDET-JBOIJGRWSA-N 418.706 6.830 0 40 HKAB Cc1ccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2ccc(C)cc2)cc1 4891552 GNIONCHZCFNDGS-UHFFFAOYSA-N 419.594 5.927 0 40 HKAB COc1ccc(-c2nc3ccccc3c(C(=O)Nc3cccc(Cl)c3C)c2C)cc1 5532642 DVJGCURTVQCKPX-UHFFFAOYSA-N 416.908 6.433 0 40 HKAB CC(C)(C)c1cc([C@@H](c2cccs2)c2c[nH]c3ccccc23)cc(C(C)(C)C)c1O 5976749 MVZDHTNPQBVHAR-XMMPIXPASA-N 417.618 7.710 0 40 HKAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 6082958 DEGUJKNMHOAACW-UHFFFAOYSA-N 402.881 6.125 0 40 HKAB Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O 6628604 ATBYFVTWYSTZSY-OAQYLSRUSA-N 401.554 5.836 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2ccccc2CC)cc1OCC 6891063 ARXLSVKLXIERBG-UHFFFAOYSA-N 406.320 5.451 0 40 HKAB C[C@H]1CCN(C(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)c2ccccc2S1 7922845 NWRFJECEBYIJPQ-HOTGVXAUSA-N 411.596 5.207 0 40 HKAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCCC[C@H]1c1nc2ccccc2s1 8071294 BQDZMFPXTQZZKB-ARKBFRDHSA-N 414.534 5.249 0 40 HKAB COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 8534249 DGNBOHZFPBYXFU-INIZCTEOSA-N 416.348 6.432 0 40 HKAB CC(=O)c1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3)n2)cc1 8854428 RELSCKDVRHHGII-UHFFFAOYSA-N 416.955 5.473 0 40 HKAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1)c1ccco1 9583337 YZRYIKIKVRNKBM-GOSISDBHSA-N 417.490 5.119 0 40 HKAB O=C(NCCSCc1c(F)cccc1Cl)c1ccc(CN2CCCCC2)cc1 10331109 IXWRCTFXBBLVRJ-UHFFFAOYSA-N 420.981 5.128 0 40 HKAB COC(=O)c1ccc(CSc2nnc(-c3ccc(C)cc3)c3ccccc23)cc1 12176757 ZVMXHKQIJXLMDN-UHFFFAOYSA-N 400.503 5.684 0 40 HKAB COc1ccc(CC(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)on2)cc1 12185500 SJMXUVFUPIPDMS-HSZRJFAPSA-N 420.509 5.045 0 40 HKAB COC(=O)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 12194844 QFCPMCXYUSSNEN-UGKGYDQZSA-N 422.868 5.270 0 40 HKAB CN1C[C@@H](C(=O)c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 12338623 GUAHHIHOYRGRSC-ZLNRFVROSA-N 403.909 5.325 0 40 HKAB Cc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNC(c1ccc(Br)cc1)=N2 12486543 ZFGPMCPEJKHPSP-UHFFFAOYSA-N 424.729 5.845 0 40 HKAB Cc1csc(SCc2ccc(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)cc2)n1 12538542 AZVHKOGAMRNVTD-AWEZNQCLSA-N 408.552 5.111 0 40 HKAB CN(Cc1ccncc1)c1ncnc2scc(-c3ccc(Br)cc3)c12 12595846 FHFUBVZGRRFAOG-UHFFFAOYSA-N 411.328 5.152 0 40 HKAB Cc1cccc(-n2c(S[C@H](C)c3nc(C(C)C)no3)nc3ccccc3c2=O)c1C 13014299 SZNXDEKERGEWEU-MRXNPFEDSA-N 420.538 5.362 0 40 HKAB O=C(Cc1ccc2ccccc2c1)Nc1sccc1-c1nc2ccccc2s1 13973172 DEXULWAIOQULFA-UHFFFAOYSA-N 400.528 6.359 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cc1cc(-c3ccco3)on1)CC2 14254464 OWLKMGWUSIQXRD-RUZDIDTESA-N 416.477 5.100 0 40 HKAB Cc1ccc(-n2c(Cc3cccs3)nnc2SCc2c(F)cccc2F)cc1 16789599 YBJATJJRZJIPOD-UHFFFAOYSA-N 413.518 5.799 0 40 HKAB O=C1[C@]2(c3ccccc3)CC[C@@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 17045087 KBHZYJSOIZMZOX-QRRGNZNSSA-N 412.532 6.850 0 40 HKAB c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCCN3Cc3ccncc3)n2)cc1 19373057 VSWOSONNBWFQEV-XMMPIXPASA-N 422.536 5.404 0 40 HKAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN3C(=O)c3cn4cccc(C)c4n3)c2)c1 19691941 HCKJPXXSVQNTPZ-VWLOTQADSA-N 424.548 5.223 0 40 HKAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1c(Cl)cccc1Cl 20107001 BBDANTULDHHWMQ-GFCCVEGCSA-N 418.773 5.464 0 40 HKAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(-c2cccc(Cl)c2Cl)o1 20140145 AGDWBWYTTILZGT-UHFFFAOYSA-N 410.640 5.857 0 40 HKAB Cc1sc2c(c1C)CN(CCc1c[nH]c3ccccc13)CN2C(=O)c1ccccc1 20193364 RCMXOJSHSBSPQK-UHFFFAOYSA-N 415.562 5.509 0 40 HKAB Cc1ccc(NC(=O)CCc2nc(CSc3nc4ccccc4s3)no2)cc1C 21721798 LLPZPKLMMUBUED-UHFFFAOYSA-N 424.551 5.160 0 40 HKAB COc1cc(OC[C@@H]2CNCC[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 22059587 JJJAIRUIVLJSHY-URXFXBBRSA-N 421.512 5.185 0 40 HKAB in-vitro COc1ccc([C@@H]2CCCN2C(=O)CSc2ccc3ccccc3c2)cc1OC 22249271 YAZKWWMOEPRKLL-NRFANRHFSA-N 407.535 5.313 0 40 HKAB CCCCN1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1=O 27792491 KLLAQVPJTSONJQ-INIZCTEOSA-N 416.352 5.507 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N2CCCCC2)cc1 28287359 PMAOXIVHMLWQON-HSZRJFAPSA-N 404.554 5.623 0 40 HKAB CC(C)n1ncc2cc(/C=C/c3cc(C(=O)O)c4ccc(F)cc4n3)c(Cl)nc21 31855771 GYDNXXIEXBKNQN-HWKANZROSA-N 410.836 5.222 0 40 HKAB Cc1c(Br)cn2cc(-c3ccc(Cl)cc3)nc2c1Br 32647093 LGOWMPMGMGCZFC-UHFFFAOYSA-N 400.501 5.488 0 40 HKAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCC[C@H]3c3cccs3)c12 32870624 MTMGTFYCBBBWHJ-SFHVURJKSA-N 407.470 5.376 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(Br)c2)cc1OCC 33750799 DCKPAKXRFCLSPM-UHFFFAOYSA-N 412.711 5.542 0 40 HKAB CCCCCc1ccc(OCC(=O)Nc2ccc(I)cc2)cc1 48237441 JXVSFHLCDNVUFX-UHFFFAOYSA-N 423.294 5.041 0 40 HKAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccccc1C(F)(F)F 57996857 ZQIJUYRBOQQDOE-UHFFFAOYSA-N 401.453 6.167 0 40 HKAB COc1ccccc1CNc1nc2c(-c3cccc(Cl)c3)nnn2c2ccccc12 67261451 CGQYCXSBVCTCDH-UHFFFAOYSA-N 415.884 5.219 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(COCc2ccc(F)cc2)CC1 77191523 FPDIJSNIWOYMPI-UHFFFAOYSA-N 419.924 5.092 0 40 HKAB Cc1cc(Nc2cccc(C(=O)O)c2)c2c(Cl)ccc(Oc3ccccc3)c2n1 78401762 DWLUPOXPAXKEOK-UHFFFAOYSA-N 404.853 6.431 0 40 HKAB Cc1ccccc1-c1nc(C)c(CNC(=O)COc2cccc(C(F)(F)F)c2)s1 96119221 OHJHLGFKWXFWSH-UHFFFAOYSA-N 420.456 5.141 0 40 HKAB CC(C)(C)c1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 102085333 ZGCLRGHZIOQNLH-NLCRGRMESA-N 413.517 5.334 0 40 HKAB CSc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc1 102719262 ZBZKCFFLCDCYOC-AOMKIAJQSA-N 418.518 6.018 0 40 HKAB COc1c(C)cc(Br)cc1C(=O)Nc1cccc(Cl)c1N1CCCC1 109024495 DVDHTXZAWQPDFD-UHFFFAOYSA-N 423.738 5.272 0 40 HKAB O=C(CCc1cccc2ccccc12)NCCSCc1ccc(Cl)cc1Cl 222663786 QZUZLMXNOMFUEH-UHFFFAOYSA-N 418.389 6.129 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(Cl)cc3)o2)cc1 224906719 VRDYKOXBDVHHNH-UHFFFAOYSA-N 418.880 5.601 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1C1CCCC1 225025747 SKDUNOPYXNMIDV-VXKWHMMOSA-N 421.591 5.741 0 40 HKAB COc1ccc2oc(=O)c(C(=O)Nc3ccccc3Sc3ccccc3)cc2c1 226038493 GCSXSKBXYZAGJP-UHFFFAOYSA-N 403.459 5.205 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N1C[C@@H](C)C[C@H](C)C1 226330949 QTYKNOFLVYCTDB-STQMWFEESA-N 406.357 5.619 0 40 HKAB CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O 408808711 FHOJOZZZNLIGCI-NVNXTCNLSA-N 412.269 5.378 0 40 HKAB CC(C)c1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 408817480 VSYSPDGKNMVMKX-IPOZWTLPSA-N 419.614 6.864 0 40 HKAB CCOc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccncc2)cc1 409104999 LVHMGJKXGRTYOQ-UHFFFAOYSA-N 416.550 5.453 0 40 HKAB CCOc1ccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1 409120726 SHBVOCIZEPWGFG-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB O=C1S[C@@H](Cc2ccccc2OCc2ccccc2F)C(=O)N1Cc1ccccc1 409142594 DVCPDNLRKYKFJC-QFIPXVFZSA-N 421.493 5.211 0 40 HKAB O=C(CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O)Nc1ccc(Cl)cc1 409152659 KVTLZVDYWPUVKQ-XDHOZWIPSA-N 422.893 5.168 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@H](C(C)(C)C)C2 1945749 KMNMIEAIZURHIO-AWEZNQCLSA-N 419.974 5.982 0 40 HKAB Cc1ccc(C2=N/C(=C/c3cccc(OCc4ccccc4Cl)c3)C(=O)O2)cc1 2061397 KTPPVKNTDDSINO-HYARGMPZSA-N 403.865 5.572 0 40 HKAB CC[C@@H]1[C@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)C)cc1 2270688 WOCICPKRZGZPEY-FESMNKHTSA-N 412.577 7.038 0 40 HKAB CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccccc1 2376185 WDPCUABBFTUIEB-QCDSWUKFSA-N 422.509 6.284 0 40 HKAB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4cc(C)ccc4C)c23)cc1 2388289 LXTOGIGKWYLEHY-UHFFFAOYSA-N 419.575 6.014 0 40 HKAB CCOc1ccc2c(c1)c1nnc(-c3ccc(C)cc3)c-1cn2Cc1ccccc1OC 2690336 PFYZYBGRKOCZJW-UHFFFAOYSA-N 423.516 5.967 0 40 HKAB CCc1ccc(NC(=O)[C@H](C)Sc2nnc(Nc3ccc(C)c(C)c3)s2)cc1 3317259 DHDGGLCMCCXGGX-HNNXBMFYSA-N 412.584 5.580 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 3349271 KTHJLVFUCUOLMM-QHCPKHFHSA-N 400.522 5.618 0 40 HKAB Cc1ccc2c(CSc3nnc(Nc4cccc(C)c4C)s3)cc(=O)oc2c1 3365170 WGEWNXPFFVJHOH-UHFFFAOYSA-N 409.536 5.606 0 40 HKAB CC1(C)C[C@@H]([C@H](CCCNCc2ccc3c(c2)OCO3)Cc2ccccc2)CCO1 4029667 JYERWXVLRXXYAJ-PKTZIBPZSA-N 409.570 5.349 0 40 HKAB biogenic Cc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(Br)cc32)cc1 4129990 KCLBACGZIRLCCB-UHFFFAOYSA-N 408.274 5.331 0 40 HKAB CCC(C)(C)c1ccc(OCC(=O)Nc2ccc3[nH]c(=O)oc3c2)c(C(C)(C)CC)c1 4587861 AHACRLQDNSGBIJ-UHFFFAOYSA-N 424.541 5.514 0 40 HKAB CC1(C)C[C@]23Oc4ccccc4N2C(c2ccccc2)=C[C@@H](c2ccccc2)[C@H]3CO1 4729520 FVYWBKDBHKJWES-SXDGJLEOSA-N 409.529 6.235 0 40 HKAB CCCCCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2)cc1 4866053 YGNQSUHOYAACRC-OAQYLSRUSA-N 404.432 5.029 0 40 HKAB Cc1oc2cc3oc(=O)c(CC(=O)N4CCCCC4)c(C)c3cc2c1-c1ccccc1 5235711 KZLBOAPTXRNDJX-UHFFFAOYSA-N 415.489 5.378 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 5478494 GSNHGPKRJLJTOV-UHFFFAOYSA-N 408.571 5.127 0 40 HKAB COc1ccccc1CNS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C 5498474 FETHXGPMCQYJFS-UHFFFAOYSA-N 403.588 5.544 0 40 HKAB CC(C)N(C(=O)COc1ncnc2scc(-c3ccccc3)c12)c1ccccc1 5785825 DRAKXCGXTNRHRJ-UHFFFAOYSA-N 403.507 5.179 0 40 HKAB O=C(CSc1ccc(F)cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 6598010 SZHPKFOUXLTKJZ-IBGZPJMESA-N 414.889 5.542 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 7080154 QNVSZGHGSKACSM-KRWDZBQOSA-N 416.546 6.494 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)CN[C@@H]4CCC[C@@H](C)[C@@H]4C)cc3)sc2c1 7141320 WVIZROQDRHVFIV-FUHIMQAGSA-N 407.583 5.625 0 40 HKAB Cc1ccc(C(=O)[C@@H](Sc2nnc(C(F)(F)F)n2C)c2ccc(C)cc2)cc1 7987034 OHJJOSHKNNGRDN-KRWDZBQOSA-N 405.445 5.167 0 40 HKAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCCC[C@@H]1c1nc2ccccc2s1 8071291 BQDZMFPXTQZZKB-QZMUEMGWSA-N 414.534 5.249 0 40 HKAB Cc1ccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2cc(Cl)ccc2C)cc1 8476759 QHTAUPXVSOCMIS-UHFFFAOYSA-N 416.912 5.135 0 40 HKAB C[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccncc1 8723971 JHWCXBQRPBYNQG-QGZVFWFLSA-N 416.912 5.138 0 40 HKAB Cc1cc2c(cc1C)-c1c(ss/c1=N\c1ccc(Cl)c(Cl)c1)C(C)(C)N2 8739758 RZDUPEVGUWCAGY-NMWGTECJSA-N 421.418 7.293 0 40 HKAB O=C(NC[C@@H](c1ccsc1)N1CCCCCC1)c1ccc(-c2ccccc2)cc1 8863163 AIDDPLRWGNVSIW-DEOSSOPVSA-N 404.579 5.762 0 40 HKAB O=C(CSc1cn(Cc2ccccc2)c2ccccc12)Nc1cccc2ccccc12 9394335 JLRPCLSWEFQAME-UHFFFAOYSA-N 422.553 6.574 0 40 HKAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc(Cl)c3)c3ccccc3)cc2c1 9431088 MPLHHVLHKGKFQJ-UHFFFAOYSA-N 418.880 5.037 0 40 HKAB Cc1ccc2nc(COc3cccc(C(=O)Nc4cccc(Cl)c4C)c3)cn2c1 11608828 KRIGWPNANIWXDQ-UHFFFAOYSA-N 405.885 5.436 0 40 HKAB Cc1cc2nc(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)oc2cc1C 12285342 DMWJRFBKMVVDMD-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB CCSCCn1c(C)c(C(=O)OCc2ccccc2)c2cc(O)c3ccccc3c21 12412565 ZZQCCTVQWIMHDK-UHFFFAOYSA-N 419.546 5.919 0 40 HKAB biogenic,in-vitro Cc1c(-c2ccccc2)sc2ncnc(N[C@H](c3ccccc3)c3nccn3C)c12 12547620 GIOSQFUDQWAJQQ-HXUWFJFHSA-N 411.534 5.602 0 40 HKAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1 12813625 XXTJOXGHXGXPIP-UHFFFAOYSA-N 409.482 5.119 0 40 HKAB O=C(NCCSCc1ccc(Cl)cc1)c1ccccc1OCc1ccccc1 13687003 MTCNACPCDGXYHX-UHFFFAOYSA-N 411.954 5.582 0 40 HKAB CCCn1c(-c2ccc3ccccc3c2)cs/c1=N\c1cc(Cl)ccc1Cl 15931215 CJTRAZJTVBHQSN-LVWGJNHUSA-N 413.373 7.319 0 40 HKAB Cc1nc2ccccc2nc1CN(Cc1nc2ccccc2nc1C)c1ccccc1 16265160 ICFPAKGIGIYKFR-UHFFFAOYSA-N 405.505 5.397 0 40 HKAB O=C(NC(=S)Nc1ccc2ccccc2c1)c1ccc(OCc2ccccc2)cc1 17089238 MYSLXAFOCNXDBG-UHFFFAOYSA-N 412.514 5.546 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 17090886 YNFUOQWFZIQSOG-VGOFMYFVSA-N 416.864 5.990 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)cc1 17092478 XJVVEKPKYGKOPY-UHFFFAOYSA-N 420.896 6.037 0 40 HKAB O=C(O[C@H](c1c(Cl)cccc1Cl)c1nccc2ccccc12)c1ccccc1 17429223 WINZRUPYVLUOKS-JOCHJYFZSA-N 408.284 6.488 0 40 HKAB Cc1cc(Cc2ccccc2Cl)cc(C2CCN(C(=O)c3ccccn3)CC2)n1 19691631 KOYXIPUFHBRGPN-UHFFFAOYSA-N 405.929 5.049 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 20456523 MZZRPWLGXKOBLS-JOCHJYFZSA-N 407.510 5.109 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCSCc1cccc(Cl)c1 20486003 VNDUPBVEZCNEPI-OAQYLSRUSA-N 413.970 5.700 0 40 HKAB CN(C)[C@H](CNC(=O)c1ccccc1SCc1cccs1)c1cccc(F)c1 22766965 AGJULYHRYHKCQZ-HXUWFJFHSA-N 414.571 5.212 0 40 HKAB CC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccc4ccccc34)c2)cc1 27298393 ZTZDOHYOUPKDCR-UHFFFAOYSA-N 408.457 5.547 0 40 HKAB Cc1cc(C)c2oc(C(=O)N(Cc3ccc(Cl)cc3)c3ccccn3)cc(=O)c2c1 27990050 XGTYOJPEPGUGNQ-UHFFFAOYSA-N 418.880 5.305 0 40 HKAB C[C@@H](Sc1ncnc2scc(-c3ccc(F)cc3)c12)c1nc(-c2ccco2)no1 29739189 YFAPFKZJGIVXNK-LLVKDONJSA-N 424.482 5.994 0 40 HKAB COc1ccc(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 30755418 ODDPKIGHRXEWJC-UHFFFAOYSA-N 401.506 5.405 0 40 HKAB O=C1S/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N1c1ccc(Cl)cc1 33424123 GOHANGVPDXLGIL-SFQUDFHCSA-N 413.907 6.325 0 40 HKAB O=C(NCc1ccco1)c1cc(-c2ccccc2)nc2onc(-c3ccccc3F)c12 36618418 DKAPIILMTBQUBN-UHFFFAOYSA-N 413.408 5.219 0 40 HKAB COC(=O)Cc1cccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c1 41127418 JZTMDVHXISTDBT-UHFFFAOYSA-N 422.278 5.640 0 40 HKAB Cc1nnc(SCC(=O)NC(c2ccccc2)c2ccccc2)n1C1CCCCC1 49605858 VUCXMZHGDZTZBA-UHFFFAOYSA-N 420.582 5.090 0 40 HKAB Cc1ccc(Cn2c(SCc3cccc(Cl)c3)nc3ccccc3c2=O)cc1 67259468 RMFJFRYPVGRTHN-UHFFFAOYSA-N 406.938 5.699 0 40 HKAB Clc1cc(Cl)c2oc(-c3ccc(Br)cc3Br)nc2c1 73638186 IIFATJGOZBYGOD-UHFFFAOYSA-N 421.903 6.327 0 40 HKAB O=C(c1ccc(Br)o1)N1N=C(c2ccccc2Cl)C[C@H]1c1ccco1 79046898 CMSRODUIBCNDLV-AWEZNQCLSA-N 419.662 5.280 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 79133773 HPFCPAKTUUKKCP-SYHOPTGNSA-N 416.690 7.809 0 40 HKAB O=C(NNc1ccc(Br)cc1)c1cc2sc3ccccc3c2s1 84594573 MFVKDTGJEGSQFD-UHFFFAOYSA-N 403.326 5.635 0 40 HKAB COCCn1c(C(=O)Nc2ccc(C)c(F)c2)cc2c1c1ccccc1n2C(C)C 96037318 XADMJBAIUGJNQI-UHFFFAOYSA-N 407.489 5.523 0 40 HKAB COc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 200050210 RYTSEIOLYNFFLW-UHFFFAOYSA-N 404.491 5.298 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(OCc2ccccc2)c1 218979344 HAKDLQQWJOLQOX-HSZRJFAPSA-N 417.505 5.306 0 40 HKAB CCOc1cc(C)c([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OCC 222649044 KOJLVYBJRGFKBO-NPFVIJTESA-N 411.571 5.167 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1)c1ccc(C)c(C)c1 224166623 PKTCZNPBHZWZQN-KDYMBEQYSA-N 416.521 5.243 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccc(C(C)(C)C)cc1 224179321 CCEPEEIOGUFETO-UHFFFAOYSA-N 403.522 6.132 0 40 HKAB CCC1(CC)C[C@H](NC(=O)CSCc2ccccc2Cl)c2ccccc2O1 224478277 YSRIADNFBPUYMX-IBGZPJMESA-N 403.975 5.772 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccccc1OC 224576026 XVGOSLPATXHHHC-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(F)cc3)o2)c1 224905561 LHHUAKVYTSTBGQ-UHFFFAOYSA-N 402.425 5.086 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225584040 AEIWEWKMUJUOJK-UHFFFAOYSA-N 404.913 5.117 0 40 HKAB CCCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OCCC)cc1C(=O)OCC 225840728 BZDUIRBJEAHVKV-QHCPKHFHSA-N 407.551 5.212 0 40 HKAB Nc1cc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(Cl)cc1Cl 226303309 HBWQIGOFQNDFBM-UHFFFAOYSA-N 415.364 6.296 0 40 HKAB C(=C1/c2ccccc2[C@@H]2[C@@H]1O[C@@H]1/C(=C/c3ccccc3)c3ccccc3[C@H]12)\c1ccccc1 245240620 QTCLDESTKURNLW-MFUKQNIJSA-N 424.543 7.430 0 40 HKAB Cc1[nH]c2ccc(C(=O)NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1C(C)C 257248672 JESNABRUYITIAD-UHFFFAOYSA-N 412.555 5.016 0 40 HKAB COc1cc(C)c(CN2CCC[C@H]2c2cncc(Nc3cccc(C)n3)n2)c(C)c1C 257324842 WQKLAFHPKKCNNM-QFIPXVFZSA-N 417.557 5.195 0 40 HKAB COc1cc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc(OC)c1OC 408563228 KHWVWHHWENELLT-UHFFFAOYSA-N 409.507 5.257 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 408620663 INGGSFKYLNSQEZ-UHFFFAOYSA-N 402.494 5.299 0 40 HKAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc1 408628968 YVMWHXFNFXHDIL-KRWDZBQOSA-N 403.551 5.345 0 40 HKAB Cc1cc(Cl)ccc1OCc1nnc(SCc2ccc(Cl)cc2Cl)o1 408637318 IJGWGMHDRSBDAG-UHFFFAOYSA-N 415.729 6.210 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2cc(C)ccc2C)c1 408694649 LIHCDGHTTDTAOW-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 408696075 VVOGGONNOVOQAQ-UHFFFAOYSA-N 409.276 5.493 0 40 HKAB CCCCc1ccc(NC(=O)CCCN2c3cccc4cccc(c34)S2(=O)=O)cc1 408704709 RRUIBSSZDDPXTF-UHFFFAOYSA-N 422.550 5.110 0 40 HKAB O=C1N/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C(=O)N1c1ccccc1 409010889 GCJULSPWWWIDDG-JJIBRWJFSA-N 420.468 5.516 0 40 HKAB O=C(CSc1ccc(Cl)cc1)NCCSCc1c(Cl)cccc1Cl 409027114 ZTRISZLCJZLPJU-UHFFFAOYSA-N 420.814 5.789 0 40 HKAB CC(C)Cn1c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nnc1-c1ccc(Cl)cc1 409108273 ZEFFRQIXQINJOU-HOTGVXAUSA-N 421.010 5.136 0 40 HKAB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc(C)c3)n2C)cc1 409205892 QKIPUETVBLGCRC-QPLCGJKRSA-N 414.530 5.479 0 40 HKAB COc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1 409376249 WHNDLKVAVLCJNV-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2[C@H](C)Cc2ccc3c(c2)OCO3)cc1 643452 FCEQAOWLJKMYGC-MZNJEOGPSA-N 400.478 5.001 0 40 HKAB aggregator Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3ccccc3C(F)(F)F)o2)c1 999782 REMHUQDRBALOSJ-UHFFFAOYSA-N 417.427 6.562 0 40 HKAB CCC(=O)Nc1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2CC)cc1 1340026 AGXOCKYOXNUJLM-UHFFFAOYSA-N 407.539 5.185 0 40 HKAB Cc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 1402977 NWZOPECHMZXNMD-UHFFFAOYSA-N 413.713 5.245 0 40 HKAB CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@@H](C)CCC3 1784629 PTDHEJPQSPVPAJ-INIZCTEOSA-N 412.624 6.478 0 40 HKAB CCc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(N4CCOCC4)cc3)c2c1 1892393 KCSVJOGLROQLJG-AZPGRJICSA-N 410.517 5.731 0 40 HKAB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OCc1ccc(Cl)cc1 2276211 LQNBZOMGLNLPCU-UHFFFAOYSA-N 411.910 6.020 0 40 HKAB CCCCOC(=O)c1ccc(N[C@H](c2ccc(C)cc2)P(=O)(OC)OC)cc1 2344579 NOUMJEBAGCXYQE-FQEVSTJZSA-N 405.431 5.549 0 40 HKAB Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)c1 2406095 LXXKKYUVTPWOJU-HSZRJFAPSA-N 410.473 5.370 0 40 HKAB CCCCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 3158147 CLNXQQQSJMXFRT-CVQXOBEKSA-N 423.512 5.262 0 40 HKAB biogenic CCCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2)cc1 3615781 VOLASGSPYHOEAQ-HSZRJFAPSA-N 421.566 5.524 0 40 HKAB c1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)c(-c3ccccc3)[nH]2)cc1 3671135 PPRGNHYFGMSRIY-UHFFFAOYSA-N 402.522 7.779 0 40 HKAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12 4184228 PWESAGWCPCQBCM-HZPDHXFCSA-N 409.530 5.318 0 40 HKAB CN(C)CCCN(C(=O)c1ccc2ccccc2c1)c1nc2c(F)cccc2s1 4359775 FLMZQWNZNMSPTE-UHFFFAOYSA-N 407.514 5.187 0 40 HKAB CC(C)COc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 4554804 QWYVGBGCSXHMDV-UHFFFAOYSA-N 420.900 5.361 0 40 HKAB CCCCCOc1ccc(C(=O)CCCC(=O)c2ccc(OCCCCC)cc2)cc1 4611480 CKGHQFRXVIBZES-UHFFFAOYSA-N 424.581 7.061 0 40 HKAB CNC(=O)c1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CC[C@@H](C)C2 5055628 PXBJCDTUUUGLFW-OAHLLOKOSA-N 420.534 5.277 0 40 HKAB COc1ccc(CCC(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1 5136905 LRAMFOHWZZJBDI-UHFFFAOYSA-N 414.958 5.072 0 40 HKAB CCCCCSc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 5206348 GEYCQEGBJPNAPA-UHFFFAOYSA-N 402.007 6.938 0 40 HKAB CC(C)(C)[P@@](=Nc1cccc2ccccc12)(c1ccncc1)N1CCCCCC1 5496434 PRDCZINTJIQXCF-GDLZYMKVSA-N 405.526 6.983 0 40 HKAB CCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1Cl 6155789 RCHQQEFFWBSIJK-UHFFFAOYSA-N 418.902 5.132 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(NC(=O)C(C)C)c1 6262799 FIHKXQMZBNXHGW-BQYQJAHWSA-N 407.297 5.248 0 40 HKAB Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1SCC(=O)OC(C)(C)C 6315344 LBEFYXUJVXWZNE-UHFFFAOYSA-N 414.958 5.935 0 40 HKAB C[C@@H](NC(=O)CN1CCC(c2nc3ccccc3s2)CC1)c1cc2ccccc2o1 6978742 MSNLUIWVWUHRAD-MRXNPFEDSA-N 419.550 5.099 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)cc1 7073072 KXLRMOWCJOSSAV-GOSISDBHSA-N 414.505 6.334 0 40 HKAB CC(C)[C@H](NC(=O)CCCCc1nc2ccccc2s1)c1nc2ccccc2[nH]1 8013212 XSDSOWKLXJROEV-QFIPXVFZSA-N 406.555 5.399 0 40 HKAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 8041360 LKFYRHJDMAGZIP-IBGZPJMESA-N 411.885 5.937 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 8073471 IGCDIRBCOZAPMN-UHFFFAOYSA-N 408.542 5.018 0 40 HKAB Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(Cl)cc2)cc1C 8476956 UBBKMZQANGSURY-UHFFFAOYSA-N 408.933 5.267 0 40 HKAB COc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2/C=C\c2ccc(Cl)cc2)cc1 8651621 RFALBESTBSCGMQ-FKYUBBBKSA-N 414.892 5.848 0 40 HKAB Cc1cc(Br)cc2c(C(=O)NC3CCCCC3)cc(-c3ccccc3)nc12 8918655 ZAGBRIPUJAEQBG-UHFFFAOYSA-N 423.354 6.035 0 40 HKAB Cn1cc([C@H]2c3ccccc3C(=O)N2CCc2ccc(Cl)cc2)c2ccccc21 9668883 GRMMBZQLPTVPDP-XMMPIXPASA-N 400.909 5.620 0 40 HKAB CC(C)Sc1ccc(CC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 12070867 DEUBQVMIWHBPGZ-UHFFFAOYSA-N 401.535 5.912 0 40 HKAB CCc1ccc([C@H]2Nc3ccc4ccccc4c3-c3c2c(=O)oc2ccccc32)cc1 12413285 MPWBHFRUBLANRR-HHHXNRCGSA-N 403.481 6.691 0 40 HKAB biogenic,in-vitro CCN(Cc1nc(-c2cccc(Cl)c2)no1)Cc1ccc(Br)s1 12825477 MQFSYQLBKLMGOE-UHFFFAOYSA-N 412.740 5.236 0 40 HKAB Cc1ccc(-n2nnnc2-c2cnn(-c3cccc(Cl)c3)c2-c2cccs2)cc1 16311695 RXGDBQDKKZMNAT-UHFFFAOYSA-N 418.913 5.205 0 40 HKAB O=S(=O)(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(Cl)cc1Cl 16780415 NDBYUWHKFAEAJW-UHFFFAOYSA-N 418.305 5.109 0 40 HKAB Cc1cccc(OCCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1C 16902452 RPWDMSSRLTZPSW-FQEVSTJZSA-N 419.569 5.237 0 40 HKAB COc1cccc(Cc2ccc([C@@H]3CCCN3Cc3ccnc4ccccc34)nc2)c1 19687273 IMHOEUSTZYAVSX-MHZLTWQESA-N 409.533 5.566 0 40 HKAB CCCCOc1cc(C)c(Cl)cc1S(=O)(=O)n1cc(C)nc1-c1ccccc1 19943822 JCWCFFLMIBALQV-UHFFFAOYSA-N 418.946 5.236 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1OCC 20038865 MTMTVJTXRVGVQF-UXHICEINSA-N 424.585 5.207 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(O)=Nc2cc(-c3ccccc3)nn21 20726727 ZVUCJAIRYYTHDD-MRXNPFEDSA-N 401.253 5.028 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc(-c3ccco3)nc3ccccc23)c1 22189140 KSLDFBDPBSIZKA-INIZCTEOSA-N 403.507 5.626 0 40 HKAB COc1ccc(-[n+]2c(-c3ccc(Cl)cc3)cn3c2CCc2ccccc2-3)c(OC)c1 27299228 KKRJJCSYTXEABX-UHFFFAOYSA-N 417.916 5.190 0 40 HKAB c1ccc(CN[C@H]2C(c3ccccc3)=NN(c3ccccc3)[C@H]2c2ccccc2)cc1 31638231 UQNIZCLCTUZFFG-NSOVKSMOSA-N 403.529 5.811 0 40 HKAB COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3ccc(Br)s3)ccc2c1 32716895 SKTVTKKAZVELKO-CYBMUJFWSA-N 418.356 5.435 0 40 HKAB C[C@H]1CCc2c(sc3nc(S[C@H](C)c4nnc(-c5ccccc5)o4)nc(N)c23)C1 32739543 IFQAYKAXKRHWGH-NWDGAFQWSA-N 423.567 5.302 0 40 HKAB CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)cc1 33292591 NLSNSEFDMCHAKT-UHFFFAOYSA-N 400.276 5.011 0 40 HKAB Cc1ccc(-c2csc3c(=O)n(Cc4cccc(C(F)(F)F)c4)cnc23)cc1 38486734 QSOKUMZOAQJKOE-UHFFFAOYSA-N 400.425 5.501 0 40 HKAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1OCC 44885611 OUNZFWJTVUCGSS-QFIPXVFZSA-N 407.510 5.111 0 40 HKAB COc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 44933217 SXZKXDFBHYQWDL-OAHLLOKOSA-N 421.368 5.091 0 40 HKAB CC(C)c1ccc2[nH]c(=O)c(CNc3ccc(N4CCc5ccccc5C4)cc3)cc2c1 57718164 DHJHDSOAELWPHB-UHFFFAOYSA-N 423.560 5.826 0 40 HKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72215226 YJAYISCSPXCHDR-FUHWJXTLSA-N 419.566 5.694 0 40 HKAB CCc1ccc(N(CC(F)(F)F)C(=O)c2cc(-c3ccc(OC)cc3)on2)cc1 72427536 QCHHATTYXQXFNE-UHFFFAOYSA-N 404.388 5.122 0 40 HKAB O=C(Nc1ccc(F)cc1)O[C@H]1CCC[C@H](NC(=O)c2ccccc2C(F)(F)F)C1 77200296 MYEUCUCLMUZOEB-HOTGVXAUSA-N 424.394 5.134 0 40 HKAB Cc1cc(C)cc(N2C(=O)N(C(=O)c3cccs3)[C@H]3C[C@@]2(C)Oc2ccccc23)c1 100032856 GYYZVPMUBKMQAK-YADARESESA-N 418.518 5.687 0 40 HKAB COc1ccc(C(=O)N2C(=O)N(c3ccccc3)[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 101354540 NJSUCTGWBWRKIX-SQJMNOBHSA-N 414.461 5.018 0 40 HKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(Cl)c1 106960618 NJQAKBADWQWYMK-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c(Cl)c1 216278257 AJIIFWNCDGCSSQ-CQSZACIVSA-N 403.906 5.220 0 40 HKAB Cc1cc(C)cc(CSCC(=O)Nc2nnc(SCc3ccccc3)s2)c1 222972746 SPZFFNHGKRYLAD-UHFFFAOYSA-N 415.609 5.319 0 40 HKAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1C(C)C 223004250 RGZOFRXRDRXOJV-QGZVFWFLSA-N 401.572 5.045 0 40 HKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)CCc1ccc(C)c(C)c1 224063822 PPTPWSAVDQEMSW-UHFFFAOYSA-N 409.913 6.329 0 40 HKAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccccc1Cl 224140344 FIZWKLMOOQVKNS-GOSISDBHSA-N 423.940 5.679 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccc(Cl)c(C)c1 224202461 VQFIGLNQDPBDTH-KRWDZBQOSA-N 409.913 5.727 0 40 HKAB COc1ccc(C(=O)NCc2ccco2)cc1COc1ccc(-c2ccccc2)cc1 224214795 FKGBYNMCQWCOFO-UHFFFAOYSA-N 413.473 5.464 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1cc(C)cc(C)c1 224531142 XBTIOWKSYSPFPA-UHFFFAOYSA-N 403.522 6.150 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)C1CCN(Cc2cccc(Cl)c2)CC1 224534831 OHBPEJKPQKOWNO-UHFFFAOYSA-N 418.924 6.090 0 40 HKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)Cc1ccc(Cl)cc1F 224761030 OKUJAKLTYANDNX-UHFFFAOYSA-N 420.267 6.115 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NC3CCCCC3)o2)c(OC)c1 224929964 AWAFQFZRMIOHSX-UHFFFAOYSA-N 406.482 5.088 0 40 HKAB CCCCc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1 225399195 GNERDPLOMFQJNY-QJOMJCCJSA-N 418.562 5.809 0 40 HKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccccc1 225506981 WTNBEXYTODPDED-RUZDIDTESA-N 416.590 6.392 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1Cl 225747630 YGFDSEFRKJPSRE-UHFFFAOYSA-N 418.345 6.547 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C(=O)OC 225759746 VECLNONSMSYCNJ-LJQANCHMSA-N 423.553 5.800 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3c(C)c(C)n(-c4ccccc4)c3C)N21 260781572 TVYFWNIRNJPJQE-FOVJLYNBSA-N 416.594 5.777 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260816994 UDSSAGQUWUAAQZ-BWKNWUBXSA-N 418.622 5.644 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCC[C@H](C)C3)cc2)CCCCC1 260818196 XJLXJMRJSUAKJQ-NRFANRHFSA-N 416.606 5.255 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1 408558753 VMUMXOHNVNBIRU-UHFFFAOYSA-N 420.509 5.032 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 408705865 OZHXYCUWBUKQIM-GFCCVEGCSA-N 418.773 5.464 0 40 HKAB Cc1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1C 408980119 VETYCSCBANCWSO-UHFFFAOYSA-N 409.445 6.019 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c(C)c1 409117575 NVVJFDDXZVGKFI-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB CCOc1ccc(NCc2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 409120998 XQJITQKDAWHKMT-UHFFFAOYSA-N 411.929 6.247 0 40 HKAB Fc1ccc(COc2c(Cl)cc(CNc3ccccc3Cl)cc2Cl)cc1 409176780 XNWMHYHQLMARIN-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CCCOc3ccccc3OC)c12 409194305 AIWCTEYLNZQSJQ-UHFFFAOYSA-N 405.416 5.426 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1C 409375380 JXPFGQIEZCOUDW-UHFFFAOYSA-N 404.510 5.332 0 40 HKAB Cc1nn(CCNC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1-c1cccs1 575612399 DKGCVYBCQPCLRU-UHFFFAOYSA-N 408.449 5.069 0 40 HKAB CC(=O)Nc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(NC(C)=O)cc3)n2)cc1 808591 TULPHESVKKVVPP-UHFFFAOYSA-N 422.488 5.394 0 40 HKAB Cc1ccc(C(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1C 868186 RHMTXKKEAXZEKV-UHFFFAOYSA-N 410.473 5.196 0 40 HKAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)c1ccc2c(c1)OCCO2 929821 OBOBGIBXYUXDGO-UHFFFAOYSA-N 420.515 5.105 0 40 HKAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)c1cccs1)c1ccc(F)cc1 1376095 STGXERNAOZFJKD-QFIPXVFZSA-N 422.525 5.334 0 40 HKAB COc1ccc2c(c1)-c1c(ss/c1=N\c1cc(Cl)cc(Cl)c1)C(C)(C)N2 2270477 GUPDYVUFOQDIBG-PYCFMQQDSA-N 423.390 6.685 0 40 HKAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccc(Cl)c(Cl)c4)nc32)cc1C 2437340 WIEUXFJGZZWLAA-UHFFFAOYSA-N 409.280 5.054 0 40 HKAB Cn1nc(C(F)(F)F)c(/C=C/C(=O)Oc2ccc(C3CCCCC3)cc2)c1Cl 2557802 XXXUHBXIFUFGRO-VAWYXSNFSA-N 412.839 5.759 0 40 HKAB Cc1c(-c2ccc(Cl)cc2Cl)c(=O)oc2c(Br)cc(Cl)cc12 2583402 YBLGLMRYEOUKNT-UHFFFAOYSA-N 418.501 6.491 0 40 HKAB biogenic COc1ccc(-c2nn(-c3cccc(Cl)c3)c(-c3ccc(OC)cc3)c2C)cc1 2733445 REEPWCQIHRGHFJ-UHFFFAOYSA-N 404.897 6.185 0 40 HKAB CCn1c(CSCc2ccc(Cl)cc2)nnc1SCc1ccc(C)cc1 3134806 SQTAVFIFBMKNIX-UHFFFAOYSA-N 404.004 5.986 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 3217101 NPTZUCOCIQQQKX-UHFFFAOYSA-N 423.597 6.509 0 40 HKAB CCCCc1ccc(NC(=O)COC(=O)c2ccccc2-c2ccc(C)cc2)cc1 3230144 GAPQXBACHZZDQA-UHFFFAOYSA-N 401.506 5.800 0 40 HKAB Cc1cc(C)cc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)c1 4059654 JPXNZBYUEQAAGO-UHFFFAOYSA-N 400.547 6.037 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 4576180 YBJVGBOVCZTIGE-UHFFFAOYSA-N 411.571 5.437 0 40 HKAB COc1cccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2c(F)cc(F)cc23)c1 4970286 FJPLPDZRGWLLHS-UHFFFAOYSA-N 405.379 5.667 0 40 HKAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)NCC2CCCCC2)n1-c1ccccc1 5883540 QPBBLUGOOHGAMR-KRWDZBQOSA-N 424.570 5.013 0 40 HKAB Cc1ccc(NC(=O)CN(CCC2=CCCCC2)CC(=O)Nc2ccc(C)cc2)cc1 6590307 WVFYQZYLVWHBGY-UHFFFAOYSA-N 419.569 5.073 0 40 HKAB Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)s2)c1 6651127 CDTDYTIROYTOCX-QBYUYEEZSA-N 404.605 5.012 0 40 HKAB Cc1cc(C)cc(N[C@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)c1 6794553 YQVSWJJYZRJCHG-OAQYLSRUSA-N 407.876 6.347 0 40 HKAB COc1cccc(CN(C)[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1OC 6875946 WXIKIHATNJIKEP-DEOSSOPVSA-N 418.537 5.132 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)c1ccccc1-c1ccc(C(F)(F)F)cc1 7000908 KZNJAYOFBRGEAX-UHFFFAOYSA-N 409.329 6.644 0 40 HKAB COc1cccc(CN[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1 7654123 LDFPBPCQTSCQHI-NRFANRHFSA-N 414.427 5.184 0 40 HKAB Cc1ccc(C(C)C)c(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 7928793 QFMRVHLNLGFBKR-CQSZACIVSA-N 406.309 5.384 0 40 HKAB O=C(Nc1ccccc1-c1nnc(SCc2ccccc2Cl)o1)c1ccccc1 8446106 MBJUKGRGIIVMRL-UHFFFAOYSA-N 421.909 5.935 0 40 HKAB aggregator Cc1cccc2cc(CN(C(=O)c3ccc(C(C)(C)C)cc3)c3ccccc3)c(=O)[nH]c12 9019085 LTEBQYSRXZVBIU-UHFFFAOYSA-N 424.544 5.981 0 40 HKAB O=C(Nc1ccc(Br)cn1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 9434738 PUCOKGZKIRVVHL-UHFFFAOYSA-N 412.070 5.663 0 40 HKAB CC(C)c1ccc2c(c1)C(c1cccs1)=NNC(c1ccc(Br)cc1)=N2 12497581 ZEJJLCZMXOWOGE-UHFFFAOYSA-N 424.367 6.068 0 40 HKAB C[C@@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)Nc1ccccc1 12761280 KTLJVHPSXWUKMA-CQSZACIVSA-N 402.372 5.299 0 40 HKAB Brc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 13616576 CJWZLBHPGIHKDP-FXAWDEMLSA-N 411.324 5.753 0 40 HKAB Cc1ccccc1[C@H](C)NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 14061024 GFQHLHSONKGGRI-FQEVSTJZSA-N 410.517 6.127 0 40 HKAB CC(C)(C)c1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)cc1 14122099 RDMVNDBIHCDQLW-UHFFFAOYSA-N 421.850 6.094 0 40 HKAB CCOc1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc(Br)c1OC 14388083 DOXQOZMISDXOBP-LLVKDONJSA-N 412.711 5.001 0 40 HKAB CCCCCCOc1ccccc1C(=O)Nc1cccc(OCc2ccccc2)c1 14783582 DMUWTGVCVYTUSC-UHFFFAOYSA-N 403.522 6.477 0 40 HKAB Cc1c(C(=O)c2ccc(Cl)cc2)oc2cc(NC(=O)c3ccc(Cl)cc3)ccc12 15729386 ZFWPNONFAHPCAY-UHFFFAOYSA-N 424.283 6.531 0 40 HKAB biogenic COc1ccc(S[C@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2)cc1OC 16227576 FSCJESPLOZDUTD-HSZRJFAPSA-N 412.938 6.464 0 40 HKAB COc1cc(/C=C(\Cl)c2nc(-c3ccsc3)no2)cc(Br)c1O 18917644 RPIXJAVYONVJNW-WZUFQYTHSA-N 413.680 5.012 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN[C@H](c4ccccc4)C(C)C)[nH]c(=O)c23)cc1 24634699 RSUODBVSUNOMHJ-QHCPKHFHSA-N 417.578 5.755 0 40 HKAB CN(C)[C@@H](CNC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccsc1 25329896 MLIUMWOCGCPWNS-FQEVSTJZSA-N 418.484 5.467 0 40 HKAB C[C@H]1CCCC[C@H]1Nc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 25397591 WXIRFYHJNRISRN-FXAWDEMLSA-N 422.598 5.181 0 40 HKAB COc1ccc(-c2nc(CCNC(=O)c3oc4cc(C)c(C)cc4c3C)cs2)cc1 28288564 SWFPNZLTUYJISV-UHFFFAOYSA-N 420.534 5.463 0 40 HKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 30753863 LTJJTDXAMKOEFE-HSZRJFAPSA-N 411.448 5.018 0 40 HKAB O=C(Nc1ccc(Br)cc1F)c1cc(-c2ccncc2)nc2ccccc12 31819552 LWFXLMFSAZAGQB-UHFFFAOYSA-N 422.257 5.451 0 40 HKAB O=C(CCc1ccc2c(c1)OCCO2)N[C@H](c1ccccc1)c1cc2ccccc2o1 32845959 DGOBMOMQOMKORH-AREMUKBSSA-N 413.473 5.042 0 40 HKAB O=c1c2c(-c3ccccc3)csc2nc2n1CC/C2=C/c1cccc(C(F)(F)F)c1 33481491 ZVOBIWYIORNOPO-WJDWOHSUSA-N 424.447 6.088 0 40 HKAB CCc1cccc(CC)c1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 36398710 YTNALBCSZGFTBD-QHCPKHFHSA-N 410.608 5.521 0 40 HKAB O=C(/C=C\c1cccs1)Nc1ccccc1NC(=O)c1ccccc1C(F)(F)F 36709596 BXBXFVUIFHUKSB-QXMHVHEDSA-N 416.424 5.671 0 40 HKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Br)c(Cl)c1 38772222 HTUMTNFWKPLSQI-HNNXBMFYSA-N 403.103 5.552 0 40 HKAB COc1ccc(C)cc1-c1csc(NC(=O)c2oc(Br)cc2C)n1 40141542 KFMYFENBKGGWGH-UHFFFAOYSA-N 407.289 5.043 0 40 HKAB CC[C@H](NC(=O)Nc1ccc(C)cc1)c1noc(-c2cccc(Br)c2)n1 72275175 UABWBCJZKOPWLJ-INIZCTEOSA-N 415.291 5.080 0 40 HKAB COc1ccccc1Cc1cccc([C@@H]2CCCN2C(=O)CCCc2ccccc2)n1 72358262 KZALUZSNMOMTTC-VWLOTQADSA-N 414.549 5.367 0 40 HKAB Cc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2cccc(Nc3ncc(C)s3)n2)cc1 72375848 LZECONOTLQXVIE-FQEVSTJZSA-N 420.582 5.540 0 40 HKAB FC(F)(F)SC[C@@H](Cc1ccccc1)NCc1cccc(Br)c1 95918377 QNTKCECBJIWKHD-MRXNPFEDSA-N 404.295 5.403 0 40 HKAB O=C(c1ccco1)[C@@H]([C@@H](c1ccc(Cl)cc1)N1CCCCC1)N1CCCCC1 97447405 ABBUBZLTHBIYDK-FGZHOGPDSA-N 400.950 5.197 0 40 HKAB Cc1ccccc1C(=O)NC(=S)Nc1ccc2nc(-c3ccccc3Cl)oc2c1 98086950 RUBFEBPVLPGUFR-UHFFFAOYSA-N 421.909 5.583 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)o2)cc1C 107807655 LDNOQFYIDYWGMZ-UHFFFAOYSA-N 410.901 5.306 0 40 HKAB CCCCc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1 222533642 PPLKUCIOKNJYDJ-UHFFFAOYSA-N 422.550 5.107 0 40 HKAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccc(OC)cc1 224599259 ALPZKJDUKNRGHA-UHFFFAOYSA-N 413.420 5.203 0 40 HKAB CC(C)(C)c1ccc(O[C@@H](Cc2ccccc2Sc2ccccc2)C(=O)O)cc1 225130970 UXRRQFGLNOBSEK-QFIPXVFZSA-N 406.547 6.210 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)ccc1Cl 225176648 UXOAKPCCKWWVDX-CYBMUJFWSA-N 404.919 5.012 0 40 HKAB CC(C)CSc1nnc(NC(=O)c2ccc(CSc3ccccc3)cc2)s1 225329552 WSEHNRGNRJPEKD-UHFFFAOYSA-N 415.609 5.831 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)Nc3ccc(F)cc3)c2)cc1 225459164 MHNPCGXJZLRXSI-UHFFFAOYSA-N 406.526 6.163 0 40 HKAB O=C(O)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 225556047 OUCNMMJRIIOKIM-UHFFFAOYSA-N 422.308 5.297 0 40 HKAB COc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)cc1Cl 225767916 AXCLGFCDJQUVLW-JOCHJYFZSA-N 410.970 6.041 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c2cccnc12 225860844 HZHZGARLRPWNQI-UHFFFAOYSA-N 402.538 6.173 0 40 HKAB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 253514177 FXWAFDROLPRQFL-ZATIBYBESA-N 414.674 6.382 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2C(=O)[C@@H](C)Cn2ccc(C)n2)n1 257314282 UWFCGBMIOTVUKT-BXKMTCNYSA-N 420.532 5.091 0 40 HKAB COc1cc(C(=S)NCc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 408576632 QETIVIKXTHQSLN-UHFFFAOYSA-N 411.954 5.701 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2cccc(C)c2)cc1 408698146 LMFLQEOCTWBFJX-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 409107209 QBESCEFTGDVNGO-UHFFFAOYSA-N 415.562 5.858 0 40 HKAB Cc1ccc(Cl)cc1NCc1cc(Cl)ccc1OCc1cccc2ccccc12 409129456 GSTWJTXVCXPDGW-UHFFFAOYSA-N 422.355 7.646 0 40 HKAB CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCc1cccc(F)c1 409134253 OKHCFPGJMTXEEG-UHFFFAOYSA-N 413.920 6.631 0 40 HKAB Cc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1S(=O)(=O)Nc1ccccc1 409411163 DUAUNXWMAAQKPC-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB C[C@]1(c2ccc(F)cc2)NC(=O)N([C@H](CCCc2ccccc2)c2ccccc2)C1=O 1615055991 YHZZBQBBEZNUDA-ZEQKJWHPSA-N 416.496 5.357 0 40 HKAB CCc1ccccc1NC(=O)COc1ccccc1C(=O)Nc1c(C)cccc1C 645858 TWAIOKJJDHWLBC-UHFFFAOYSA-N 402.494 5.136 0 40 HKAB COC(=O)c1sccc1NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12 669534 LSRZHTPOMOYZMA-UHFFFAOYSA-N 416.502 5.619 0 40 HKAB aggregator Cc1ccc2cc(CN(C(=O)Nc3ccccc3F)C3CCCCC3)c(=O)[nH]c2c1 1352765 AHEWSRMJBATSFJ-UHFFFAOYSA-N 407.489 5.342 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccc(Cl)cc3)cc2c1 1353103 YCOCJFVXTBJGPO-UHFFFAOYSA-N 421.884 5.317 0 40 HKAB Cc1nc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)nc2c1CCCC2 1429382 LKMOFVSWUZQEQO-UHFFFAOYSA-N 401.901 5.671 0 40 HKAB FC(F)(F)c1ccc2nc3c(nc2c1)-c1ccc(Br)c2cccc-3c12 1571862 UYOQITLXUGSQLM-UHFFFAOYSA-N 401.185 6.212 0 40 HKAB CCCCC[C@@H](CN(C)C)C(=O)C[C@H](SCC)c1ccc(Cl)c(Cl)c1 1573427 BMJQGJIEPWCNSQ-JXFKEZNVSA-N 404.447 6.505 0 40 HKAB O=c1c(-c2ccccc2)coc2cc(OCc3cccc(Br)c3)ccc12 1790937 LFDLHXMSWXTJPY-UHFFFAOYSA-N 407.263 5.802 0 40 HKAB Cc1nn2c(Nc3ccc(Cl)c(Cl)c3)c3c(nc2c1-c1ccccc1)CCC3 2219155 DYSNZJNJZGGVHX-UHFFFAOYSA-N 409.320 6.244 0 40 HKAB CC[C@H](C)[C@H](Nc1nc(Cc2ccccc2)nc2sc3c(c12)CCCC3)C(=O)O 2257861 HMVDEHHXIYNMKX-XOBRGWDASA-N 409.555 5.072 0 40 HKAB CCn1c(NC(=O)c2ccccc2C)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 2339023 IZFLBIOUQGYTDN-UHFFFAOYSA-N 416.908 5.903 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccccc4Cl)cc3)sc2c1 2377044 KWCRLRFKTJVMSF-UKTHLTGXSA-N 404.922 6.577 0 40 HKAB O=C(Nc1nc2c(s1)COc1ccccc1-2)c1cc(Br)ccc1Cl 2650609 HTSQVZGLFMOOMV-UHFFFAOYSA-N 421.703 5.371 0 40 HKAB Fc1cccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)c1 2714637 MIMWZCNDZSOGFY-UHFFFAOYSA-N 414.871 6.624 0 40 HKAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 3217432 OMCWWDLHWASWRO-UHFFFAOYSA-N 423.597 6.375 0 40 HKAB CC(=O)[C@@]12CCCC[C@@H]1C[C@H]1[C@@H]3C[C@H](C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 4074017 PATZWJFBWJISFP-HKKSVSEXSA-N 402.619 5.126 0 40 HKAB biogenic CN(C(=O)OCc1ccccc1)[C@@H](CN1CCCC1)c1cccc(C(F)(F)F)c1 4290023 WYDUDCFIXKXWER-FQEVSTJZSA-N 406.448 5.111 0 40 HKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1C 4335319 SHWUOFFVBDFJTE-UHFFFAOYSA-N 419.472 5.420 0 40 HKAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1[C@H](C)c1ccccc1 4860338 TWXBBNZGNDAXBJ-MRXNPFEDSA-N 418.522 5.187 0 40 HKAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1ccccc1Cc1ccccc1)CC2 5353290 HISMVDZDOMPKAU-GOSISDBHSA-N 401.506 5.054 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)Nc4ccccc4)c3c2)cc1 6146739 GPDHDYBOIGMOKL-UHFFFAOYSA-N 420.490 5.103 0 40 HKAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 6263836 MZXPVBHLQKSIOL-WEVVVXLNSA-N 411.716 6.037 0 40 HKAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1oc2ccccc2c1C 6287858 DVXLEOZLYZGNDG-UHFFFAOYSA-N 419.308 5.539 0 40 HKAB C[C@H](Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)N(C)Cc1ccccc1 6509066 TUESFOUDBONRGR-KMMQNZHGSA-N 402.582 5.613 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1Cl 6657032 ASKRRPUQJZZXNA-UHFFFAOYSA-N 408.910 6.268 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 7080058 AAINAEASRNFQGR-KRWDZBQOSA-N 409.913 6.663 0 40 HKAB COc1ccc(CNCc2cc(Cl)c(OCc3cccs3)c(OC)c2)cc1 7540023 OUTPUYGIWHDLMF-UHFFFAOYSA-N 403.931 5.288 0 40 HKAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)cc1 7882521 HBXYJMUURJFZEC-HXUWFJFHSA-N 414.505 5.341 0 40 HKAB COc1ccc2cc(CN(C)[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)ccc2c1 7926702 QDMAPLQPQOBTTI-AWEZNQCLSA-N 400.881 5.100 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c(C)c1 8492383 RGRVSUKQWWMIFH-HNNXBMFYSA-N 412.382 5.427 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)Cc1c(C)c2c(cc(C)c3c(C)coc32)oc1=O 8510600 ZJAXBFHQLQFIRD-UHFFFAOYSA-N 417.505 6.077 0 40 HKAB biogenic CCOc1cc2c(cc1CSc1nnc(-c3cccs3)n1CC)O[C@@H](C)C2 8709267 YBZOOUCHJFQNNX-ZDUSSCGKSA-N 401.557 5.041 0 40 HKAB CSc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 8743068 KAOIMTDNPLHELO-BDYUSTAISA-N 422.553 6.804 0 40 HKAB CCc1ccc(/C=C2/S[C@@H](c3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1 8917132 UUNLNMPXNFSKHX-ZMIGGIFCSA-N 419.977 7.031 0 40 HKAB Cc1csc(SCc2c(C(=O)N[C@@H](C)c3ccccn3)oc3ccccc23)n1 9613834 NXXBEZCOMHQRLD-AWEZNQCLSA-N 409.536 5.376 0 40 HKAB COc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(Cl)cc4)c3c2c1 9676056 HSYDPSZZTWRIAE-UHFFFAOYSA-N 420.299 6.556 0 40 HKAB Cc1ccc2nc(NC(=O)Cc3csc4nc(-c5ccccc5)cn34)sc2c1 12559951 UXHAHYNTMFJHBQ-UHFFFAOYSA-N 404.520 5.162 0 40 HKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc(Br)ccc1Cl 14137528 RAWUJNMTEKWTQT-UHFFFAOYSA-N 408.679 5.396 0 40 HKAB Cc1ccc(Nc2nc(NCc3ccc(F)cc3)nc3c2cnn3-c2ccccc2)cc1 17042505 LBZXQBROSBCAAL-UHFFFAOYSA-N 424.483 5.619 0 40 HKAB CCOc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3cccc(Cl)c3)c1-2 18084081 IJDXSBQVAJNRBO-QOCHGBHMSA-N 402.972 6.422 0 40 HKAB COc1ccc(CNc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1 20218687 GAXKIEQFYZHWPM-UHFFFAOYSA-N 401.310 5.288 0 40 HKAB COc1ccccc1CN(C)C(=O)c1ccc(OCCSc2ccccc2)cc1 20461977 KLVLVGVCWUIJHC-UHFFFAOYSA-N 407.535 5.139 0 40 HKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 20491819 YNDPPGZXRVSYTQ-QHCPKHFHSA-N 408.542 5.116 0 40 HKAB C[C@H](Sc1nnc2sc3ccccc3n12)C(=O)c1ccc(Br)cc1 20895059 ZQPINLNTSUTADH-JTQLQIEISA-N 418.341 5.070 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)oc2c1 27580560 VCXVLIYBYZLENV-NRFANRHFSA-N 424.972 5.968 0 40 HKAB O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccc(C(F)(F)F)nc1 29013648 XPFNZJMFZIDDAD-UHFFFAOYSA-N 417.334 5.495 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CN2CCc3ccccc32)cc1 30862504 HXJCCSOUHXYWKU-UHFFFAOYSA-N 420.512 6.294 0 40 HKAB O=C(Nc1cc(C(=O)N(Cc2ccccc2)C2CC2)ccc1Cl)c1cccs1 31069204 QLOVEGDELNQCKY-UHFFFAOYSA-N 410.926 5.459 0 40 HKAB O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1sc2ccccc2c1Cl 32092157 XYYDHVWYWHSEDO-UHFFFAOYSA-N 405.866 6.010 0 40 HKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)[C@H](C)c3cc4ccccc4o3)c12 32753964 FQOAQXWFTNWYSB-MRXNPFEDSA-N 411.461 5.778 0 40 HKAB CC(C)c1nnc(SCc2csc(Cc3ccc(Cl)cc3)n2)n1C1CC1 32913792 YEPIQCSELSXQRV-UHFFFAOYSA-N 404.992 5.729 0 40 HKAB COc1ccc(/C=C/c2nc3ccccc3nc2OCc2ccc(Cl)cc2)cc1 33561550 KGFWGQVAHNUXMQ-XNTDXEJSSA-N 402.881 6.041 0 40 HKAB c1ccc(C23N=NC(c4ccccc4)([C@H]4c5ccccc5[C@H]42)[C@H]2c4ccccc4[C@@H]23)cc1 45069659 ZGICMEIBGZXTNZ-JTLWTFSISA-N 410.520 7.019 0 40 HKAB CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccc(-c2nc3ccccc3s2)o1 62580768 ANXMHSNTQRFWRC-UHFFFAOYSA-N 415.478 5.156 0 40 HKAB COc1ccc([C@H](C)Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1 67288537 YCESZDZLUFFJIQ-INIZCTEOSA-N 407.489 5.182 0 40 HKAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccc(Br)cc3)o2)cc1 67321281 SLJDXFOUPQNNNG-GFCCVEGCSA-N 403.301 5.171 0 40 HKAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1cccnc1OCc1ccccc1 72212110 BAGNMQYOXFUSMA-HSZRJFAPSA-N 402.494 5.524 0 40 HKAB O=C(c1ccncc1)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72357828 XNCQHPNQVCYSET-NRFANRHFSA-N 411.427 5.064 0 40 HKAB Cc1ccc(-c2nnc([C@H](C)Oc3ccc4c(C(F)(F)F)cc(=O)oc4c3)o2)cc1 78991545 RLFUFWHPQCOMFP-LBPRGKRZSA-N 416.355 5.310 0 40 HKAB Cc1c(-c2nnc3sc(-c4ccc(Br)cc4)nn23)oc2ccccc12 96194116 JXRJGWVCJCDZDN-UHFFFAOYSA-N 411.284 5.337 0 40 HKAB COc1ccc(NC(=O)N2CCc3ccccc3[C@H]2Cc2ccccc2)cc1OC 97164611 CGBVKFYMFMZBLD-JOCHJYFZSA-N 402.494 5.078 0 40 HKAB Clc1cccc([C@H]2C=C(c3ccc(Br)cc3)Nc3ncnn32)c1Cl 101070107 KGYDYFROXSGTHV-OAHLLOKOSA-N 422.113 5.403 0 40 HKAB OC1=C2C(=Nc3ncnn3[C@@H]2c2cc(F)cc(F)c2)C[C@@H](c2ccc(Cl)cc2)C1 102659477 KBYWHJVQVSLUBV-MPBGBICISA-N 412.827 5.275 0 40 HKAB Fc1ccc(Cl)c([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c1 106937364 ZFYRVRUVNSHWPN-RBBKRZOGSA-N 413.279 6.375 0 40 HKAB Cc1ccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 107027182 NFZABTVYSWJUNV-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc1 214968624 WRNIKGKRHNTWKL-GZTJUZNOSA-N 418.312 5.084 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1cccc(Cl)c1 224146474 CDCKWNJGPLYNGJ-UHFFFAOYSA-N 403.812 5.458 0 40 HKAB CCOc1ccc(C(=O)NCc2ccco2)cc1COc1ccccc1C(C)(C)C 224508297 SKTVHWVIVOMITQ-UHFFFAOYSA-N 407.510 5.485 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225177222 SIQZINIPVSFZDB-SFHVURJKSA-N 418.946 5.402 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCN3CCCCCC3)cc2)CCCCC1 225657306 HHLWDAQLHBPXER-UHFFFAOYSA-N 402.579 5.009 0 40 HKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C[C@H]3C=CCC3)CC2)n1 257251482 JQYNDBPUWAMTQW-ONTIZHBOSA-N 418.585 5.408 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(Cc4ccccc4)c3C)N21 260769265 LEFCVQTYQVQHSP-HUVFLSCGSA-N 416.594 5.528 0 40 HKAB COC(=O)c1ccc(CSc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2)o1 408555760 IHAOQIHKHUDULB-UHFFFAOYSA-N 408.401 5.143 0 40 HKAB COc1ccc(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1Cl 408631634 ADCMLNYJLLOJGW-OQLLNIDSSA-N 423.277 5.270 0 40 HKAB Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)o1 408632948 HYIVACWMKHHVBL-ODLFYWEKSA-N 420.446 5.047 0 40 HKAB C[C@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)C(=O)c1ccccc1 408852079 HWPNQFNNXJSWFR-NSHDSACASA-N 409.294 5.319 0 40 HKAB Cc1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)sc2CC(=O)O)cc1C 408883128 SXPOPIVIBPFCRW-UHFFFAOYSA-N 407.322 6.104 0 40 HKAB Cc1cc2c(cc1-c1cnc3nc(-c4ccccc4Cl)nn3c1)[C@H](C)CC(C)(C)N2 575473186 LILNRPRGIPMMTC-OAHLLOKOSA-N 417.944 6.118 0 40 HKAB CN(C)CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 1614994823 OZKMSZAHCFCUPI-QHCPKHFHSA-N 421.928 5.052 0 40 HKAB CSc1nnc(-c2sc3cc(C(F)(F)F)cnc3c2-c2cccs2)n1C 1405134 PNZMGINWUMHSQT-UHFFFAOYSA-N 412.487 5.561 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)nc2c1 1775637 AGACANGDTYZSDP-HNNXBMFYSA-N 404.897 6.914 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)c1 2050768 VTNIWBZWAAMHAD-UHFFFAOYSA-N 413.473 5.810 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccc(C)c(C)c2)cc1 2321152 GDVACFRMBJCTDO-UHFFFAOYSA-N 414.505 5.158 0 40 HKAB CCc1nc(SCC(=O)c2ccc(Cl)cc2)c2c3c(sc2n1)CCCC3 2326596 ZEXPRVLROOFUSJ-UHFFFAOYSA-N 402.972 5.761 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)NC3CCCCC3)c2C(=O)OC)C1 2743033 NJJSZERCNRJVGR-CQSZACIVSA-N 406.592 5.530 0 40 HKAB CCCCCCOc1ccc(/C=C2/N=C(c3ccc(C)c(C)c3)OC2=O)cc1OC 3373337 MBRJETBIQSKGKQ-RCCKNPSSSA-N 407.510 5.616 0 40 HKAB O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1ccc(Cl)s1 4070272 FOBAVKPUOWRCFD-UHFFFAOYSA-N 412.923 6.570 0 40 HKAB O=c1c2[nH]c3ccccc3c2nc(SCc2ccccc2F)n1-c1ccccc1 4106590 NIVKBBPJUOAZTR-UHFFFAOYSA-N 401.466 5.298 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccccc2Cl)cc1 4715830 HRPPGUPDUYCTRY-XUZZJYLKSA-N 420.896 5.600 0 40 HKAB CCC(=O)N(CC[C@]1(c2ccccc2)C[C@@H](C)N(C)C[C@@H]1C)Cc1ccc(OC)cc1 4785718 FWOQAZJKWCARFG-XXAUWVGASA-N 422.613 5.122 0 40 HKAB COc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccccc2C)cc1O 5148258 HPUQQMINRDRFDF-UHFFFAOYSA-N 402.450 5.471 0 40 HKAB CC(C)c1ccccc1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 5296109 DWTIZWGQYWWLAU-UHFFFAOYSA-N 418.924 5.919 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 5420045 SABWOFQPHXVPFM-UHFFFAOYSA-N 401.506 5.681 0 40 HKAB CCCCN(CCCC)C[C@@H](O)c1ccc(OCc2ccccc2)c2ccccc12 5973438 JWDBUSDBDUZDTQ-AREMUKBSSA-N 405.582 6.354 0 40 HKAB Cc1cccc(C)c1NC(=O)C1(N(C)C(=O)c2ccccn2)CCC(C(C)(C)C)CC1 6207623 HWZRZMWSMFJAAC-UHFFFAOYSA-N 421.585 5.384 0 40 HKAB CCCCCC1CCC(c2ccc(-c3noc(-c4ccccc4Cl)n3)cc2)CC1 6471876 LBXXKIDQYLGWAN-UHFFFAOYSA-N 408.973 7.911 0 40 HKAB Cc1ccc(C2=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H](c3ccccc3)C2)cc1 6502001 VEZSPUTZYVXHGM-MUUNZHRXSA-N 416.524 6.908 0 40 HKAB CCCN[C@@H](C(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC)c1ccccc1 6509333 YJCWXWZNOKKDKR-OAQYLSRUSA-N 422.550 5.271 0 40 HKAB COc1ccc(-c2coc3cc(Nc4ccc(OC)cc4OC)ccc3c2=O)cc1 6662699 FZRGHYJLAAKICM-UHFFFAOYSA-N 403.434 5.229 0 40 HKAB biogenic Cc1cc2oc(C(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)c(C)c2cc1C 6810595 VUMNUUHRZNVVDJ-UHFFFAOYSA-N 407.897 6.447 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)cc2)cc1 7927994 QEHPRFFJIHVCPI-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)N1CCC(c2nc3ccccc3s2)CC1 8586641 PPIYTQGNDLXWNZ-UHFFFAOYSA-N 400.931 5.043 0 40 HKAB C[C@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)c1cccc(Cl)c1 8892842 PNDIGENQQZIZKR-JTQLQIEISA-N 423.719 5.516 0 40 HKAB C=Cc1ccc(COc2ccc(-c3n[nH]c(C)c3-c3ccc(OC)cc3)c(O)c2)cc1 8973433 YITVYQOQPSQUMB-UHFFFAOYSA-N 412.489 5.988 0 40 HKAB Cc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(C(C)(C)C)cc1 9019155 WQVWCBBRPUQYNU-UHFFFAOYSA-N 424.544 5.981 0 40 HKAB C[C@@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCc3ccccc3)[nH]c(=O)c21 9044152 DWVPQNLKURFDOJ-SANMLTNESA-N 416.590 6.123 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1cc2ccccc2o1 10586992 BSUWXGKZXKZRQW-UHFFFAOYSA-N 424.481 6.040 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN[C@H](C)c4ccc(Cl)cc4)[nH]c(=O)c23)cc1 12767330 YNZJCBIJSPUQCQ-CQSZACIVSA-N 423.969 5.773 0 40 HKAB Cc1nc(COc2cccc(/C=C/C(=O)N(Cc3ccc(F)cc3)C3CC3)c2)cs1 12820816 QFLVXJMVWQFFTJ-KPKJPENVSA-N 422.525 5.374 0 40 HKAB CCCc1noc([C@@H](C)Sc2nnc(-c3cccs3)n2Cc2ccccc2)n1 13010051 FJIVOKQYVDIHGE-CQSZACIVSA-N 411.556 5.244 0 40 HKAB CCOc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C1=O 13562326 WSQCTQFTERXMRY-DDOAZUFRSA-N 423.512 5.328 0 40 HKAB C[C@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NC12CC3CC(CC(C3)C1)C2 14237467 MTZPNOUXQNUYMP-ABROSTTOSA-N 407.004 5.515 0 40 HKAB O=C(Oc1ccc(NC(=O)c2ccccc2Cl)cc1)c1ccc2ccccc2n1 14630334 PDKRYOBIVRZGRD-UHFFFAOYSA-N 402.837 5.360 0 40 HKAB COc1cccc(NC(=O)[C@@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)c1 15227774 ANIUQWOUIMIKAE-SFHVURJKSA-N 422.535 5.014 0 40 HKAB CCOP(=O)(OCC)c1nc(-c2cccs2)oc1NCc1ccc(F)cc1 16753030 CPIZHJLKXROYQH-UHFFFAOYSA-N 410.407 5.046 0 40 HKAB CCC(=O)N1CCCc2ccc(NC(=O)c3c(-c4ccccc4Cl)noc3C)cc21 17247752 NIJXDAIPWXKBCX-UHFFFAOYSA-N 423.900 5.245 0 40 HKAB CC(C)c1cc(C(F)(F)F)c2c([C@H]3CCCN(Cc4ccncc4)C3)noc2n1 19452107 PNFFCBBEVJRILX-HNNXBMFYSA-N 404.436 5.140 0 40 HKAB O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1ccc(Cl)cc1Cl 20730089 VTJSJDKQQRWPIQ-UHFFFAOYSA-N 400.221 5.155 0 40 HKAB Clc1cccc(-c2cnc(CSc3nncn3-c3cccc(Cl)c3)o2)c1 24047660 QTHOUFWMJKAURV-UHFFFAOYSA-N 403.294 5.521 0 40 HKAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(SCc2cccnc2)cc1 24673820 KKZLXYSJFDUQCG-UHFFFAOYSA-N 403.429 5.348 0 40 HKAB CCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c1 26124457 LYSJMXRNAOQBPH-UHFFFAOYSA-N 420.900 5.423 0 40 HKAB O=C1CN(C(=O)CCCc2ccccc2)[C@H](c2ccccc2)c2ccc(Cl)cc2N1 28048077 QHSIWQRRRSFPMP-RUZDIDTESA-N 418.924 5.233 0 40 HKAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)[C@H]3CCCc4ccccc43)cc2)o1 29259132 SEKYNHRCAGJIGS-DEOSSOPVSA-N 423.516 5.862 0 40 HKAB O=c1c2ccccc2nc(SCc2cc(F)cc3cccnc23)n1C1CCCC1 31613232 VJSKIFSBQDBWSB-UHFFFAOYSA-N 405.498 5.491 0 40 HKAB Clc1ccc(SCN(CSc2ccc(Cl)cc2)Cc2ccccc2)cc1 31670201 SPSAUKAJDRGLHB-UHFFFAOYSA-N 420.430 7.295 0 40 HKAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)N[C@@H](C)c4ccccc4)c(C)c3cc2c1C 33326665 BLDVBMBCYHQYHL-KRWDZBQOSA-N 417.505 5.583 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c1 33613401 MPBTXIUAKRAIIL-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H](C)c1ccccc1F 40144942 QDEUMLZXNJBUOQ-CYBMUJFWSA-N 416.905 5.592 0 40 HKAB CCOc1ccc(CCC(=O)Nc2ccccc2Sc2ccccc2)cc1OCC 44849355 HBAFMJWFFOASDV-UHFFFAOYSA-N 421.562 6.207 0 40 HKAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccccc1OCc1ccc(Cl)cc1 59959026 YNRPKLMWDKIMSF-MOSHPQCFSA-N 407.828 5.403 0 40 HKAB CCOc1cc(C(=O)OC)cc(NC(=S)Nc2ccc(Cl)cc2C)c1OCC 71326230 BNVSDWPSCWWFAP-UHFFFAOYSA-N 422.934 5.041 0 40 HKAB COc1ccc(CSc2nc3ccsc3c(=O)n2CCc2ccccc2)cc1 71327593 XZPYYQDRXKVOTM-UHFFFAOYSA-N 408.548 5.002 0 40 HKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72215242 WJXOZKTYYRFNDK-GHTZIAJQSA-N 423.557 5.599 0 40 HKAB CCCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215707 TYEALSICYUYGKM-QFIPXVFZSA-N 415.622 6.483 0 40 HKAB CC1=C[C@@H](CNC(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C 72320875 KTIPFZAETACNQN-VABKMULXSA-N 415.581 5.400 0 40 HKAB biogenic,in-vitro Cc1cc(Nc2ccccn2)cc([C@H]2CCCN2Cc2c(C)nn(C(C)C)c2C)n1 72372711 DQNLRFZMJCMSMB-HSZRJFAPSA-N 404.562 5.260 0 40 HKAB Cc1nn(-c2ccccc2)cc1-c1ccnc(N2CCC(Cc3ccccc3)CC2)n1 72461889 RFRADBBPJPAZEF-UHFFFAOYSA-N 409.537 5.097 0 40 HKAB O=C1c2ccccc2[C@@H](c2c(-c3ccc4ccccc4c3)[nH]c3ccccc23)N1CCO 85430417 BHZLWJXYQNMISX-MHZLTWQESA-N 418.496 5.526 0 40 HKAB CN(Cc1csc(-c2cccs2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 95356874 YBKRXEMNQHRPKO-DOTOQJQBSA-N 411.379 5.269 0 40 HKAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@@H](c4ccccc4Cl)C3=C(O)C2)cc1 102580432 LDPJLRYJLMAJGF-QKKBWIMNSA-N 406.873 5.005 0 40 HKAB CCOc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Br)c1OC 106956466 JRWVANPIDOBCLY-UHFFFAOYSA-N 405.119 5.775 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C 118934366 MORIJPBWWVLFCE-RDZFJHFFSA-N 400.691 7.779 0 40 HKAB CSC1(SC)CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935749 QMHDZLXXJNUWOW-PQQZDNAISA-N 408.673 6.303 0 40 HKAB COc1ccc(Cl)cc1NC(=O)N1CCS[C@H](c2cc(F)ccc2F)CC1 219341419 UAPFFWSVFSYIRH-SFHVURJKSA-N 412.889 5.339 0 40 HKAB COc1cccc(CCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 219768846 KAJUROFJNINSDK-UHFFFAOYSA-N 409.913 5.290 0 40 HKAB Cc1c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n(-c2cccc(Cl)c2)c1C 222726194 LDUKCDACFQKMOF-NHCUHLMSSA-N 410.974 5.053 0 40 HKAB CC[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc2c(c1)CCCC2 223068606 NBOBCGOYRVKSHW-RUZDIDTESA-N 415.602 6.739 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1cccc(Cl)c1 224144713 TUBCLHKQTYFELC-UHFFFAOYSA-N 409.913 6.303 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccc(Cl)c(C)c1 224540928 JMKOAVPAOQCNBQ-GOSISDBHSA-N 423.940 6.117 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccc(OC)cc1 224599195 KIMOZUMSJVFENB-UHFFFAOYSA-N 413.420 5.203 0 40 HKAB O=C(NCc1cccc(CN2CCCCC2)c1)c1ccccc1CCc1ccccc1 224676384 GMBFANIISUABCJ-UHFFFAOYSA-N 412.577 5.388 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Cl)cc3)o2)c1 224899543 GUEFETROAHVCLS-UHFFFAOYSA-N 404.853 5.923 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 225289434 OSIVDWHSRBPDQQ-DEOSSOPVSA-N 405.542 5.074 0 40 HKAB Cc1ccccc1[C@@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 225507189 PHCRCUCABVWTRM-DEOSSOPVSA-N 415.562 5.198 0 40 HKAB CC(C)Oc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c1 225584067 RVYCFOALEVJUDJ-UHFFFAOYSA-N 404.913 5.117 0 40 HKAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225739470 ORCVTPWNOUSAOK-DEOSSOPVSA-N 404.595 5.255 0 40 HKAB C[C@H](NC[C@@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)[C@H]1C[C@H]2CC[C@H]1C2 245240043 KARZSFYUDKYCEY-YBKYHCMSSA-N 401.635 5.554 0 40 HKAB CCCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccccc2OC)n(CC(C)C)n1 257285041 PFJIRNGDPCQLAI-UHFFFAOYSA-N 422.525 5.759 0 40 HKAB CCOC(=O)c1c(NC(=O)/C(=C/c2ccccc2)c2ccccc2)sc2c1CCC2 408574815 LKNOMBCHQUYXQT-CAPFRKAQSA-N 417.530 5.593 0 40 HKAB Cc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2cccc(C)c2C)n1 408698152 LNSAQJKDMSSNAF-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc(C)c1Cl 408705404 DZOVHHJWWJJGCN-FQEVSTJZSA-N 407.941 5.953 0 40 HKAB Cc1ccc(COc2c(Cl)cc(CNc3cccc(C)c3C)cc2Cl)cc1 409122279 XCYGTRWWIIFJSW-UHFFFAOYSA-N 400.349 7.110 0 40 HKAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cccc4ccccc34)cc2)cc1 409177468 BCHCPBIOYBZTGI-UHFFFAOYSA-N 424.452 5.407 0 40 HKAB Cc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409348342 SFTSIRFXYKTTST-MHZLTWQESA-N 404.513 6.361 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OCC 409368162 NVFQEALOBXNQEJ-UHFFFAOYSA-N 402.705 6.087 0 40 HKAB C(=C1c2ccccc2[C@@H]2[C@@H]1O[C@@H]1/C(=C\c3ccccc3)c3ccccc3[C@H]12)c1ccccc1 2049238509 QTCLDESTKURNLW-ZGTXDOKNSA-N 424.543 7.430 0 40 HKAB O=C(c1ccccc1Cl)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc(Cl)cc1 712317 KNXNUTZHXPZENR-QHCPKHFHSA-N 421.327 6.263 0 40 HKAB CCc1ccc2nc(-c3cccc(C)c3)nc(SCC(=O)N3CCC(C)CC3)c2c1 922178 TZKOOAVLLGJACM-UHFFFAOYSA-N 419.594 5.518 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c1 1085278 SAXSFWFVRXVFKF-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB COc1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccccc23)cc1OC 1106369 DAYHIJYYHHPEPB-XIEYBQDHSA-N 401.418 5.078 0 40 HKAB biogenic O=C1/C(=C/Nc2ccc(Cl)cc2)CCN1c1ncc(C(F)(F)F)cc1Cl 1396632 UHFPSBBQORDZHL-CSKARUKUSA-N 402.203 5.140 0 40 HKAB CCOC(=O)c1c(NC(=O)c2csc3c2CC[C@H](C)C3)sc2c1CCCC2 1454216 GPAUXIZQAITYKU-LBPRGKRZSA-N 403.569 5.242 0 40 HKAB O=S(=O)(Nc1ccccc1)c1ccccc1C=C(c1ccccc1)c1ccccc1 1707713 QNVLZVXBVUCVBX-UHFFFAOYSA-N 411.526 6.076 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)c(C)c1 1862946 ZJFFOFAITQXVIM-UHFFFAOYSA-N 418.496 7.031 0 40 HKAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)c3c(C)n(C)c4ccccc34)ccc12 2151757 RPRXLKDTFJVTCB-UHFFFAOYSA-N 417.505 5.506 0 40 HKAB biogenic CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc12 2502131 YYWJURUHIZHVIV-UHFFFAOYSA-N 421.902 5.152 0 40 HKAB Cc1cc(C)c(NC(=O)CCCSCCOc2ccc(C(C)C)c(C)c2)c(C)c1 2617540 DAWQVVJIUBENHQ-UHFFFAOYSA-N 413.627 6.575 0 40 HKAB O[C@H](CN[C@@H]1CCCc2ccccc21)COC(c1ccc(F)cc1)c1ccc(F)cc1 2654575 WMPTWWRNUHTWJI-ILBGXUMGSA-N 423.503 5.099 0 40 HKAB Cc1c(NC(=O)c2ccc(Br)cc2)cccc1-c1nc2cccnc2s1 2972248 OZJKIEMTJBAOOX-UHFFFAOYSA-N 424.323 5.682 0 40 HKAB Cc1ccc(-c2csc3ncn(Cc4cccc(Br)c4)c(=O)c23)cc1 3017687 CEOUVNVYBLZJLQ-UHFFFAOYSA-N 411.324 5.244 0 40 HKAB O=C(Cc1sc(-c2ccccc2Cl)nc1-c1ccccc1)Nc1ccc(F)cc1 3047525 BMAHCCANEXGLGB-UHFFFAOYSA-N 422.912 6.451 0 40 HKAB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)NC1CCCCC1 3393448 VVHCHVABJZDSQB-UHFFFAOYSA-N 422.912 5.161 0 40 HKAB O=C(COc1ccccc1)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 3655389 UCXYESJQVRTGFS-UHFFFAOYSA-N 405.837 5.335 0 40 HKAB CCCCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OCC)cc1 3658768 YOKNUGPHECYQLI-UHFFFAOYSA-N 403.551 6.378 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)OCC(=O)c3ccccc3)c2c1 4503172 MLTPBBJTFSMCOI-UHFFFAOYSA-N 409.485 5.867 0 40 HKAB CCCC[C@@H](CC)CNC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1 4602148 VNKKTCRIWHEBGD-HXUWFJFHSA-N 410.558 5.317 0 40 HKAB CCOc1ccc(-c2cn3c(CC(=O)Nc4ccccc4OCC)csc3n2)cc1 5147003 ANAJBMJTOXENFQ-UHFFFAOYSA-N 421.522 5.041 0 40 HKAB Cc1cc(CSc2nnc(Cc3cccc4ccccc34)n2C2CCCCC2)no1 5282115 MIFUQHXIAOEYHJ-UHFFFAOYSA-N 418.566 6.116 0 40 HKAB Cc1ccccc1-c1nc(C(=O)NC[C@H](O)c2ccccc2)cc2c1[nH]c1ccccc12 6090655 ONKUOGMBPYDJGU-DEOSSOPVSA-N 421.500 5.155 0 40 HKAB biogenic COc1ccccc1-c1c(C)noc1-c1ccc(OCc2ccc(C)cc2)cc1O 6662727 DUXVOGPWTZNXKS-UHFFFAOYSA-N 401.462 5.919 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2C2CCCCC2)s1 7313528 AIABEBZFWZKAIS-UHFFFAOYSA-N 417.625 5.781 0 40 HKAB CN(CC(=O)Nc1ccccc1Cl)Cc1csc(-c2ccc(Cl)cc2)n1 7912561 AZGCHXRYULECFQ-UHFFFAOYSA-N 406.338 5.187 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C(C)C)ccc4o3)c2)c1 8335526 CCXYDJORBKGKBW-UHFFFAOYSA-N 418.924 7.141 0 40 HKAB FC(F)(F)c1cc(-c2ccccc2)nc2cc(-c3ccc(Br)cc3)nn12 8590629 FJVLNXARWRMEFT-UHFFFAOYSA-N 418.216 5.845 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)cc1 8768289 RKFAOJPZUYMLKR-UHFFFAOYSA-N 422.790 5.830 0 40 HKAB Clc1ccc(-c2nc3nc4ccccc4nc3n2CCC2=CCCCC2)c(Cl)c1 9160322 MWMWVCWLZYNUPD-UHFFFAOYSA-N 423.347 6.844 0 40 HKAB COc1ccccc1N(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc(C)cc1 9427463 ZGSAZERCRZVZIU-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB COc1cccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccc(C)cc2)c1 9427701 SZQWUMVBVHBWFM-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB O=C(COc1cccc(Br)c1)Nc1ccccc1-c1nc2ccccc2[nH]1 9466714 TYCLFJZTCPHRML-UHFFFAOYSA-N 422.282 5.010 0 40 HKAB Cn1c(SCCOc2ccc(Br)cc2)nnc1-c1ccccc1Cl 9809731 SSKXPKJACWKCRH-UHFFFAOYSA-N 424.751 5.069 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(CNC(=O)CCC5CCCCC5)(C4)C2)C3)cc1C 12462198 DPBADQNKSLHPHV-SIQOOTDXSA-N 407.642 6.618 0 40 HKAB O=C([C@@H]1CCC[C@@H]1c1ccc(Cl)cc1)N1CCN=C1Cc1cccc2ccccc12 13774237 HLPFHHVQRDDGTI-DNQXCXABSA-N 416.952 5.860 0 40 HKAB COc1ccc(C)cc1NC(=O)c1ccccc1CSc1nc2ccccc2o1 15082099 BXFFDUSFFUAIMT-UHFFFAOYSA-N 404.491 5.689 0 40 HKAB Cc1cccc(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1C 15230363 SATBWAANZOVATG-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB Cc1cccc(Nc2nnc(S[C@@H](C)c3nnc(-c4cccc(C)c4)o3)s2)c1 17662757 YZQPKLBZJSHINC-AWEZNQCLSA-N 409.540 5.802 0 40 HKAB O=C(O)c1ccc(Cl)c(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)c1 20143663 KYHCSDHKGYIMFI-UHFFFAOYSA-N 419.820 5.064 0 40 HKAB COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3n2)cc1 20610042 OETOEEVYBOGPET-GIDUJCDVSA-N 412.493 5.204 0 40 HKAB O=C(NCc1ccco1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20733393 MFEBLBUDWZOJBW-QHCPKHFHSA-N 414.505 5.043 0 40 HKAB Cc1ccc(NC(=O)CSc2nc3ccc(Br)cc3[nH]2)cc1Cl 20765335 SOIWWWBAQHXYTL-UHFFFAOYSA-N 410.724 5.018 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc1Br 21577026 AMPSRUSPOOFPJW-UHFFFAOYSA-N 421.310 5.230 0 40 HKAB COc1ccc(N(Cc2cccs2)C(=O)c2oc3ccc(Cl)cc3c2C)cc1 27664671 UDABJJKNEONRDC-UHFFFAOYSA-N 411.910 6.312 0 40 HKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1sc2ccccc2c1Cl 32850951 DTZICTRNPVXNEQ-UHFFFAOYSA-N 413.757 5.932 0 40 HKAB COc1ccc([C@@H]2CCCN2[C@H](C(=O)O)c2c[nH]c3ccccc23)c2ccccc12 35105641 GOWTWRWLJRTLTD-UPVQGACJSA-N 400.478 5.293 0 40 HKAB O=C(/C=C/c1ccco1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 38205022 FBACXHMGPAJOMQ-AIZYKNHXSA-N 408.501 6.116 0 40 HKAB O=C(NCc1cccc2ccccc12)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 38489818 DNCQAQXVCFRONP-UHFFFAOYSA-N 413.521 5.241 0 40 HKAB Cc1cccc(Cn2c(SCC(=O)Nc3cc(F)ccc3F)nc3ccccc32)c1 41076828 BOBVZTVELFMUTF-UHFFFAOYSA-N 423.488 5.402 0 40 HKAB Cc1cccc(C)c1OCc1nc2c3c4c(sc3ncn2n1)C[C@H](C(C)(C)C)CC4 44928660 UAYGZANUNZUISD-MRXNPFEDSA-N 420.582 5.686 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccccc3F)s2)c(C(F)(F)F)c1 58061226 RMZIHHBPVSDQGJ-UHFFFAOYSA-N 422.403 5.784 0 40 HKAB O=C(NCC1CCC1)Nc1ccc(NC(=O)c2ccccc2F)cc1C(F)(F)F 58148730 FSZORQGTGSYOBZ-UHFFFAOYSA-N 409.383 5.018 0 40 HKAB O=C1S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1c1ccccc1 59418139 RTBFWLQBFFNZBV-KGENOOAVSA-N 405.450 5.646 0 40 HKAB Cc1ccc(-c2ncc(C(=O)Nc3cccc(Oc4ncccn4)c3)s2)c(C)c1 65515531 WUFWDLOKHJKFIT-UHFFFAOYSA-N 402.479 5.262 0 40 HKAB Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccccc2F)n1 67294883 MZTNEYPCNCOTHM-ROMGYVFFSA-N 407.832 5.413 0 40 HKAB CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccccc1Cl 72328531 PRYKPLWIJGDITQ-UHFFFAOYSA-N 402.325 5.636 0 40 HKAB O=C(CN1CCCCC[C@@H]1C[C@H](O)c1ccccc1)Nc1ccccc1C(F)(F)F 79052031 CVFSFZOCGDMFRB-NQIIRXRSSA-N 420.475 5.012 0 40 HKAB Clc1cccc([C@@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3ncnn32)c1Cl 101218832 CRGBJHTXYCIWIN-NRFANRHFSA-N 419.315 6.308 0 40 HKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1nc2ccccc2s1 105141822 MAJDJXQDKYPECP-NYYJTOMGSA-N 405.361 5.359 0 40 HKAB CSc1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1Br 218881632 FOMYGXILTSFANR-UHFFFAOYSA-N 408.361 5.486 0 40 HKAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(C(C)(C)C)cc1Br 218881847 YEPCJXKDSGQHLO-INIZCTEOSA-N 418.375 5.263 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(C)c(Cl)c4)o3)N21 222716073 LPXUTMZINJLALU-NPFVIJTESA-N 423.969 6.283 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)NC(c1ccccc1)c1ccccc1 222722085 CARZHKWKPSYHRG-UHFFFAOYSA-N 416.373 6.132 0 40 HKAB COC(=O)c1cc2cc(NC(=O)c3cc4cc5ccccc5nc4s3)ccc2s1 223135131 NMTCUTCOTPYVPU-UHFFFAOYSA-N 418.499 5.703 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 223642709 MTVWHGJYCHZJDF-HXUWFJFHSA-N 419.506 5.163 0 40 HKAB CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2O1 225017551 IMJDHUHIRXTVJN-UGKGYDQZSA-N 409.570 6.085 0 40 HKAB O=C(Cc1ccccc1Cl)Nc1ccccc1SCc1ccc(Cl)cc1 225439337 SMKIKPVXNOWAMT-UHFFFAOYSA-N 402.346 6.467 0 40 HKAB CCC1(CC)C[C@H](NC(=O)/C(=C/c2ccccc2)c2ccccc2)c2ccccc2O1 225450038 HSEVPWDDIDWLPR-POQGPQTDSA-N 411.545 6.426 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c(C)c1 225810801 KTIFRALAWIDYQM-UHFFFAOYSA-N 414.546 5.109 0 40 HKAB CCOc1ccc(C2(NC(=S)Nc3ccc(OC)c4ncccc34)CCCC2)cc1 225877297 DVPUQJZIKTZTJR-UHFFFAOYSA-N 421.566 5.398 0 40 HKAB S=C(NCc1ccc(Cl)cc1)Nc1nc(Cl)cc(Oc2ccccc2)n1 225936231 VUHMYKWMAIVWEY-UHFFFAOYSA-N 405.310 5.062 0 40 HKAB O=C(O)c1ccc2nc(-c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)[nH]c2c1 256028003 NQFSXKGYEPGNET-UHFFFAOYSA-N 413.260 5.814 0 40 HKAB O=C(Nc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1)c1ccncc1 408667623 BTJHHJONCWXDDK-UHFFFAOYSA-N 423.472 5.165 0 40 HKAB COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OCc1cccc(C)c1 409026365 MWXXBONRDKOZME-HMAPJEAMSA-N 413.473 5.236 0 40 HKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 409027396 CYSAXOCKFGNLHR-AWNIVKPZSA-N 413.605 7.104 0 40 HKAB Clc1ccc(-n2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 409095646 HYKGCOQALKGGHH-UHFFFAOYSA-N 405.954 5.846 0 40 HKAB CCCCN1C(=O)S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C1=O 409130557 IALCOEBUFMZBQF-JWGURIENSA-N 420.534 5.557 0 40 HKAB Cc1ccc(COc2c(Cl)cc(CNc3ccccc3Cl)cc2Cl)cc1 409182064 HWJNVKVAOWRVMM-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccccc1OCc1ccccc1 409379033 ULMIBTGEEFMYKO-OAQYLSRUSA-N 406.507 5.033 0 40 HKAB C[N+]1=C(/C=C/C=C2\C=C(c3ccccc3)c3ccccc3O2)C(C)(C)c2ccccc21 685944644 YSRTUFYYUBWJDS-YIYJPIFJSA-N 404.533 6.657 0 40 HKAB CC(=O)c1cc2c(-c3ccccc3)nc(N)n2nc1-c1ccc(-c2ccccc2)cc1 1548338349 PLJRCIULTWRDSD-UHFFFAOYSA-N 404.473 5.515 0 40 HKAB Cc1ccc(SCC(=O)Nc2cc(C)ccc2NC(=O)COc2ccccc2)cc1 693006 YSTVJRPKZDJZRH-UHFFFAOYSA-N 420.534 5.052 0 40 HKAB O=C(N[C@@H](Nc1ccccc1C(F)(F)F)C(Cl)(Cl)Cl)c1cccs1 824917 MSYSJUFUBBDWLL-GFCCVEGCSA-N 417.667 5.305 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)COc4ccccc4)ccc3o2)cc1Cl 1413871 WKQJXKLMQWPHII-UHFFFAOYSA-N 408.841 5.174 0 40 HKAB Clc1ccc2c(c1)/C(=C\c1ccc3c(c1)OCO3)c1cc(Cl)cc(Cl)c1-2 1723749 DEGJGKZVZHVANT-PJQLUOCWSA-N 401.676 6.945 0 40 HKAB CCn1c(Cc2cccs2)nnc1SCC(=O)c1ccc(Cl)c(Cl)c1 2200061 OFTHPXQLWZZCMF-UHFFFAOYSA-N 412.367 5.232 0 40 HKAB CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)COc1ccccc1 2270275 OYTQRXUHHDXFJK-AREMUKBSSA-N 419.952 6.240 0 40 HKAB CCc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3)s2)cc1 2725865 DSEKBWSUQBFBQO-LBPRGKRZSA-N 418.975 5.617 0 40 HKAB COC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CC[C@H](C)C2 2753280 RACQITAEECBELB-INIZCTEOSA-N 419.546 5.430 0 40 HKAB COc1ccc([C@H]2N(c3ccccc3Oc3ccccc3)C(=O)C2(F)F)cc1OC 3366345 OPNORQSYCXUKRL-OAQYLSRUSA-N 411.404 5.219 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccc(Cl)cc1 3657469 MAMFZKHBAQTIBJ-UHFFFAOYSA-N 417.679 6.707 0 40 HKAB CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(F)cc2)cs1 3764177 DMQRWPUVWGXZCP-UHFFFAOYSA-N 412.877 5.414 0 40 HKAB CCCCCC1CCC(c2nnc(SCC(=O)c3cc(C)c(O)c(C)c3)o2)CC1 4036579 PYZXUNFWUJOILL-UHFFFAOYSA-N 416.587 6.221 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 4539997 BAZUVRPNRSOAAJ-FQEVSTJZSA-N 411.379 5.412 0 40 HKAB CSc1ccc(-c2nnc(NC(=O)C(c3ccccc3)c3ccccc3)o2)cc1 4585619 XDFPYFYMZRLJRD-UHFFFAOYSA-N 401.491 5.229 0 40 HKAB C[C@H](NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1)C12CC3CC(CC(C3)C1)C2 4699755 XNQJAEJOQQPWSP-ABROSTTOSA-N 411.398 5.203 0 40 HKAB CCOc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)cc1OC 4783909 ALOZYSCSEFAKGN-JLTOFOAXSA-N 414.571 5.735 0 40 HKAB CCc1ccc2nc(NC(=O)COc3ccc(C4SCCS4)cc3)sc2c1 5965885 RDAGLYGMSIYVPC-UHFFFAOYSA-N 416.593 5.355 0 40 HKAB CCCCC1=N[C@H]2Sc3c(ncnc3N(CCCC)CCCC)[C@H]2C2=C1CCC2 6309776 FQJXDRVNTPSMQQ-YKSBVNFPSA-N 412.647 6.524 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1 6359053 BFGMXWQYXQOZDE-UHFFFAOYSA-N 413.473 5.601 0 40 HKAB CCCC1=C(C(=O)OC)[C@@H](c2c(F)cccc2Cl)NC(=S)N1c1ccccc1 6367036 TWWBIIDEIYUIJI-LJQANCHMSA-N 418.921 5.142 0 40 HKAB CCCn1nnnc1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 7263296 ZOOFNMZNXIROIU-UHFFFAOYSA-N 407.905 5.081 0 40 HKAB C[C@@]12CC3CC(NCc4ccc(-c5cc(Cl)ccc5Cl)o4)(C1)C[C@](C)(C3)C2 7524462 LENYWLFHHLGXLO-TURSSXEVSA-N 404.381 7.092 0 40 HKAB COc1cc(C)c(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1C(C)C 8333725 BNLDCBSIGHXHJR-RGVLZGJSSA-N 414.958 5.980 0 40 HKAB CC(C)c1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)cc1 8606666 YCPBQQCYNCGXLM-VWLOTQADSA-N 424.504 5.046 0 40 HKAB Cc1nc2c(ccc3nc(NC(=O)COc4ccc(Cl)cc4Cl)sc32)s1 9404228 GQJKSOJJVVEFDV-UHFFFAOYSA-N 424.334 5.539 0 40 HKAB O=C(Nc1cccc2ncccc12)c1cc(-c2ccccc2)c(N2CCOCC2)s1 9950340 CSFAROCKQSYIKR-UHFFFAOYSA-N 415.518 5.052 0 40 HKAB CCCCn1nc(C)c(/C=C/C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1Cl 10540558 QGBPFOUUVQBYRF-OUKQBFOZSA-N 411.937 5.099 0 40 HKAB Nc1c(C(=O)Nc2ccccc2)sc2c1[C@H](C(F)(F)F)C=C(c1cccs1)N2 12320965 CJKHDVRTYDWDQC-LLVKDONJSA-N 421.469 5.757 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12785243 RHVQZXPXCAIBND-XMMPIXPASA-N 413.517 5.344 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12820813 AVZVLYJPHAEFRF-UHFFFAOYSA-N 416.308 5.072 0 40 HKAB CCc1ccc(-c2nc(CC(=O)N[C@H](c3ccc(OC)cc3)C3CC3)cs2)cc1 12898772 UDDXSORMHSOVTO-QHCPKHFHSA-N 406.551 5.191 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccccc1 13685611 DCTHQHQZCGBYOK-DLBZAZTESA-N 422.912 5.237 0 40 HKAB Cc1ccc(CC(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)cc1 14020397 GUAQNWOOSJKDTM-UHFFFAOYSA-N 402.372 5.040 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 16194625 CBMSOKOQQPPZMA-UHFFFAOYSA-N 414.248 5.458 0 40 HKAB COc1ccc(CCC(=O)N2CCC[C@@H](c3ccc(Cc4ccccc4)cn3)C2)cc1 19688157 FVVKDJHGOULCBB-XMMPIXPASA-N 414.549 5.020 0 40 HKAB Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)c3[nH]nc4c3CCCCC4)CC2)n1 19691429 PYQONVOPVOCYCF-UHFFFAOYSA-N 414.553 5.069 0 40 HKAB O=C1CS[C@@H](c2cccc(Br)c2)N1c1ccc(C(F)(F)F)cc1 19927078 HETZNYCMCVBIPE-HNNXBMFYSA-N 402.235 5.247 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(OC(C)C)cc1 20495416 AVSKTJUDTTXJJF-OAQYLSRUSA-N 405.991 5.747 0 40 HKAB CCN(CC)CCNCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl 22075208 KTHIQTDZIOYMIS-UHFFFAOYSA-N 411.373 5.012 0 40 HKAB Cc1ccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 25733291 GDNGJEYYVHTTOQ-UHFFFAOYSA-N 418.562 5.142 0 40 HKAB Cc1ccc(C2(C(=O)Nc3cc(-c4nc5ncccc5o4)ccc3C)CCCC2)cc1 30822856 TUPUMABANSVVKR-UHFFFAOYSA-N 411.505 5.957 0 40 HKAB COc1cccc([C@H]2CC(O)=Nc3sc(C(=O)Nc4ccccc4F)c(C)c32)c1 32073991 SBGKBMRISDDQSX-OAHLLOKOSA-N 410.470 5.580 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(Br)cc4)ccc3o2)cc1C 32116488 BDLLCIJDUFUZAR-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB COc1cccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)c1OC(F)F 33530883 JILDAEMFHSCYLK-QBFSEMIESA-N 405.422 5.312 0 40 HKAB Cc1ncc(NC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1nc(-c2ccccc2)cs1 35682933 IVMWHCIWTDPZSE-UHFFFAOYSA-N 418.566 5.459 0 40 HKAB C[C@@H](c1ccccc1F)N(Cn1nc(-c2cccs2)c2ccccc2c1=O)C1CC1 40158178 FFKVXRQDPFRPLZ-INIZCTEOSA-N 419.525 5.447 0 40 HKAB CCc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 41076871 CTDSKKBLIKUQIR-UHFFFAOYSA-N 419.525 5.517 0 40 HKAB CCOc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(OC)cc23)cc1 44168101 BRPTZCXWQITRMR-UHFFFAOYSA-N 419.525 5.258 0 40 HKAB Cc1ccccc1NC(=O)CSc1nccn2nc(-c3cccc4ccccc34)cc12 57511037 PRQZICZVBTWPHX-UHFFFAOYSA-N 424.529 5.589 0 40 HKAB Cc1ccc(C(=O)CNc2nnc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)cc1 57741991 WQXIKVDOPDJQPP-UHFFFAOYSA-N 416.431 5.087 0 40 HKAB Cc1ccccc1-c1cc(C(=O)Nc2ccc(F)c(F)c2F)c2cnn(C(C)C)c2n1 58505506 SIPBIRPMQVZWLN-UHFFFAOYSA-N 424.426 5.657 0 40 HKAB Cc1cc(NC(=O)c2cccnc2SC(F)(F)F)ccc1Oc1cccnc1 60063964 VAKCZGULGXKBJQ-UHFFFAOYSA-N 405.401 5.442 0 40 HKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(Cl)cc3)oc12 67190107 PNQWLARTCCRXPF-RWEWTDSWSA-N 419.868 5.283 0 40 HKAB C[S@@](=O)c1ccc(C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1 71792994 ORVNCGHKMPOUCN-MHZLTWQESA-N 421.305 5.170 0 40 HKAB COc1cccc(-c2nc3c(s2)CN(Cc2cc4cccc(OC)c4o2)CC3)c1 72392046 PPMRNNGBAYOZKX-UHFFFAOYSA-N 406.507 5.132 0 40 HKAB Cc1ccc(-c2nc(S(=O)(=O)N3CCCCC3)c(-c3ccc(F)cc3)s2)cc1 82087252 QWJLKALKVDPIAO-UHFFFAOYSA-N 416.543 5.099 0 40 HKAB CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccc(Cl)c1 102647947 ACUWQDOEVFIFMD-QHCPKHFHSA-N 422.956 6.789 0 40 HKAB C[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc2c(c1)OCCO2 222689823 RXOVQVRCFQEJEO-QGZVFWFLSA-N 405.519 5.241 0 40 HKAB CCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl 222720769 WRKLWWNYAFAVTL-UHFFFAOYSA-N 411.354 5.005 0 40 HKAB Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1 222914652 GYHVNLGZMJVPFO-FGZHOGPDSA-N 423.607 5.763 0 40 HKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 223754733 ZWZBAPIFSHSGKT-XZOQPEGZSA-N 418.566 5.184 0 40 HKAB CCc1ccccc1NC(=O)c1ccc(OC)c(COc2cccc3ccccc23)c1 224300595 RSFMHOWWHHLVET-UHFFFAOYSA-N 411.501 6.242 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NCc1ccco1 225370790 DSSUEADLNQGHGN-UHFFFAOYSA-N 417.292 5.088 0 40 HKAB Fc1ccccc1CSCCNC(=S)Nc1ccc(OC2CCCC2)cc1 225414118 BSGJRBAOMPILRV-UHFFFAOYSA-N 404.576 5.367 0 40 HKAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225581782 RXWPFIGAEMIPQP-CQSZACIVSA-N 407.933 5.300 0 40 HKAB O=C(Nc1ccc(OC2CSC2)cc1)C1(c2ccc(Cl)cc2)CCCCC1 225932540 GVEBFDRHTIYGAR-UHFFFAOYSA-N 401.959 5.675 0 40 HKAB COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1ccco1)N2Cc1ccccc1 245227940 ZHLJKTQAWJWBRF-NCAYHCJHSA-N 417.505 5.034 0 40 HKAB CC(C)C/C=C\[C@H](C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 253617384 XBGUSQBSWPZOOX-REJXPNJKSA-N 414.630 6.229 0 40 HKAB CC(C)[C@@H]1O[C@@H]2c3ccc(C(=O)O)cc3OC(C)(C)[C@H]2C[C@H]1c1ccc(Cl)cc1 257269314 MPLJYQFFAQQTBN-BLKABHOGSA-N 414.929 6.095 0 40 HKAB O=C(c1cc2ccccc2o1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257286584 PMDKMRRQTGFVCC-GOSISDBHSA-N 420.896 5.685 0 40 HKAB COc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C)cc1 408553863 PZMRYPJWWIVWFT-UHFFFAOYSA-N 415.411 5.854 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(F)cc3)n2)cc1Cl 408697958 KISGRQUTVVZGIQ-UHFFFAOYSA-N 424.838 5.427 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccc(F)cc2)cc1 408698369 MZEUYEADZFRHPF-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1C 409026136 HESDVRANAPLXSX-VWLOTQADSA-N 416.546 5.330 0 40 HKAB CCOc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)ccc1OCc1ccccc1F 409059945 YZZVTOVKCNVVED-NDENLUEZSA-N 415.486 5.248 0 40 HKAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1C 409213736 VCFXPYLYDKKRMF-DEDYPNTBSA-N 408.910 5.988 0 40 HKAB Oc1nc(-c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)nc2ccccc12 409255271 GVAOKXRJIZUUBV-UHFFFAOYSA-N 420.299 6.312 0 40 HKAB CC(C)=CCC[C@@]1(C)Oc2ccc(-c3ccccc3C(=O)O)cc2[C@@H]2O[C@H](C)CC[C@H]21 585265545 IKFZHKISIKNJED-UBJKNDRWSA-N 420.549 6.806 0 40 HKAB C[C@@H](Oc1ccc(F)cc1)c1nn2c(-c3ccc(C(F)(F)F)cc3)nnc2s1 632922 OTDKIMQQTVAJRM-SNVBAGLBSA-N 408.380 5.151 0 40 HKAB CCOc1ccc([C@@H](Cc2ccccc2)NC(=O)c2ccc(F)cc2)cc1OCC 668065 LODZBGSBQSGCTO-JOCHJYFZSA-N 407.485 5.337 0 40 HKAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)Cc1cccc2ccccc12 1465703 JSXIEFMHQSZCCB-UHFFFAOYSA-N 421.543 5.988 0 40 HKAB CCCCCOC(=O)COc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 1774631 QSMLVSIWVKSNAO-UHFFFAOYSA-N 410.466 5.314 0 40 HKAB Cc1ccc(C)c(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)c1 1864829 LHWZJCMZEZYJCS-SANMLTNESA-N 415.489 5.190 0 40 HKAB CCn1c2ccccc2c2cc(N3COc4ccc5c(C)cc(=O)oc5c4C3)ccc21 2125239 NAUJXQBGKMRJEL-UHFFFAOYSA-N 410.473 5.586 0 40 HKAB biogenic CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc(Cl)cc2)N1c1ccc(N(C)C)cc1 2137507 HDGHQVKUVRDZNZ-DEOSSOPVSA-N 418.928 5.334 0 40 HKAB C=Cc1ccc(COc2ccc3c(=O)c(Oc4ccccc4OC)coc3c2)cc1 2157726 FZQNJMCJZNZQKB-UHFFFAOYSA-N 400.430 5.816 0 40 HKAB biogenic CCc1cccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)c1 2246517 VVFDCCODLCFJGI-UHFFFAOYSA-N 406.533 6.496 0 40 HKAB CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@H](C(C)(C)C)C3 2275501 DCILUCPPDQYRSA-INIZCTEOSA-N 412.624 5.769 0 40 HKAB Cc1ccc([C@H](Nc2ccccc2)[P@@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 2371720 TXCZOZZUBXYZQI-RNAHPLFWSA-N 422.509 6.200 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)/C=C/c2ccc(Cl)cc2)c2ccccc2)c1 3302301 OLFIWIJTTUDBSK-XOJVXBCLSA-N 419.908 5.893 0 40 HKAB C[C@H](OC(=O)CCC(=O)c1cccs1)C(=O)Nc1ccc(Oc2ccccc2)cc1 3352179 FFJAERMZMPIUNX-INIZCTEOSA-N 423.490 5.074 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NC(c1ccccc1)c1ccccc1 3419286 JSOXSYNIMFZXBZ-UHFFFAOYSA-N 416.373 6.132 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3)sc2c1 3768319 WQFXHBNZPHVING-UHFFFAOYSA-N 424.978 6.656 0 40 HKAB Cc1cc(Br)c(C(C)C)cc1OC(=O)c1ccc(Cl)cc1Cl 4050760 OUJRRKMONOTDNV-UHFFFAOYSA-N 402.115 6.407 0 40 HKAB O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1)NCc1ccc(F)cc1 4085223 ICBAUMMXVFSJRP-MDWZMJQESA-N 413.851 5.527 0 40 HKAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc2ccccc2cc1OC 4134708 WDHYEPDNGZKXOA-UHFFFAOYSA-N 417.486 5.616 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cc(Cl)cc(Cl)c1 4193023 UDFMTVNKCPKNOA-UHFFFAOYSA-N 400.349 6.714 0 40 HKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(C)c(C)c2)cc1 4267358 YWZNZQCLEOHGLT-UHFFFAOYSA-N 414.461 5.563 0 40 HKAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nn12 4556474 BLWTYTDIDCIFKV-UHFFFAOYSA-N 419.554 5.273 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NC(=O)COc3ccccc3)c2)c1 4659747 GXLLUMMXAIFQCN-UHFFFAOYSA-N 408.885 5.227 0 40 HKAB CCCC[C@H](NC(=O)CCCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 4897498 FCPHROGZZVICEK-QHCPKHFHSA-N 420.553 5.281 0 40 HKAB CCc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(OC)cc23)cc1 4970253 SWMJISIXRSJPJR-UHFFFAOYSA-N 413.908 6.465 0 40 HKAB CCC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@]1(O)c1ccc(F)cc1 5093678 FWIMWRAGFVUMJK-UVUUWJHSSA-N 403.541 6.152 0 40 HKAB COc1cc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2cc1OC 5187333 DKWMIDUDJCNIMZ-UHFFFAOYSA-N 404.900 5.434 0 40 HKAB Cc1cc2nnc(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)n2c2ccccc12 5278241 XXNORRGSTCNUMS-JOCHJYFZSA-N 416.550 5.037 0 40 HKAB Cc1ccc(NC(=O)[C@H](Sc2nnc(Cc3ccccc3)o2)c2ccccc2)cc1 6543864 ZWDQXHRCZZXNJB-JOCHJYFZSA-N 415.518 5.441 0 40 HKAB Cc1nc(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)n(C2CCCC2)c1C 6657604 JPSSVGXOPGJULE-LBPRGKRZSA-N 413.374 5.436 0 40 HKAB CC[C@@H](C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1 6669256 RJQQNXMHSAEHNH-AZUAARDMSA-N 409.917 5.290 0 40 HKAB Cc1ccc2c(CSc3nc4ccccc4c(=O)n3CC(C)C)cc(=O)oc2c1C 6942324 KMCHMCSMJADURP-UHFFFAOYSA-N 420.534 5.068 0 40 HKAB Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2cnn(Cc3ccccc3)c2)cc1 7113116 HJIDCMCABMOALF-RUZDIDTESA-N 408.505 5.007 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)/C=C/c1cccs1)c1ccccc1 7141098 GJXJWTXXMOVFJP-FRFYRWIFSA-N 407.491 5.083 0 40 HKAB O=C(Nc1ccnn1Cc1ccccc1Cl)c1cccnc1Oc1ccccc1 7813352 LOXMVMSFOSQQSR-UHFFFAOYSA-N 404.857 5.024 0 40 HKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)c1 8033542 ACGFFGGUHMPYDP-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1c(Cl)ccc2nsnc12 8071789 HEALIINHYLMBOM-UHFFFAOYSA-N 403.935 5.438 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1NC(=O)c1ccco1 8395752 OIEBEWJXVRSWLG-UHFFFAOYSA-N 403.482 5.083 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 8448800 WIIUEKSUUUKEHL-UHFFFAOYSA-N 424.525 6.686 0 40 HKAB O[C@@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1nc(-c2ccccc2)cs1 8711458 WVGXOXMJIKYVNY-GOSISDBHSA-N 423.847 5.329 0 40 HKAB CC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc21 9164720 WLOYLGLJRFCGMD-UHFFFAOYSA-N 404.432 5.283 0 40 HKAB COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)/C=C/c3cccs3)nc12 10187692 HDMUHJJNJQQTJP-PKNBQFBNSA-N 421.547 5.316 0 40 HKAB Cc1cc(C)cc(OCCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)c1 11667184 KFSINWZHJZWJSJ-UHFFFAOYSA-N 417.509 5.035 0 40 HKAB Cc1ccc(Nc2nc3ccccc3nc2Nc2cc(C)nn2-c2ccccc2)cc1 11692204 BVRGKBFFQSDAKR-UHFFFAOYSA-N 406.493 5.920 0 40 HKAB C[C@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1cccc2ccccc12 13049322 BXZFSBITSJFVAU-KRWDZBQOSA-N 413.477 5.246 0 40 HKAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(Cl)c3)[C@H]2c2cccs2)cc1 13096698 LLDJTMQXNIEOIY-KNQAVFIVSA-N 424.953 5.833 0 40 HKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)[nH]1)N(c1ccccc1)c1ccccc1 13856340 JHBCTQYFSHJFRB-UHFFFAOYSA-N 420.925 5.582 0 40 HKAB Cc1ccc(NC(=O)COCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1Cl 13943750 JVDYRUYZHXFLAQ-UHFFFAOYSA-N 424.884 5.035 0 40 HKAB CCc1ccccc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 15881133 FHPQDQKWMIDDJQ-UHFFFAOYSA-N 401.506 5.794 0 40 HKAB CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cc(C)ccc2C)o1 16001233 XRSBVIRWXMUNJB-MRXNPFEDSA-N 423.604 5.298 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cnc2c(cnn2C(C)C)c1 16106461 DGAUDVRFERORAD-UHFFFAOYSA-N 413.840 5.020 0 40 HKAB Clc1ccc(COc2ccc(Br)cc2CNC2CCCCCC2)cc1 16401765 YUIVGLPFTXUKNO-UHFFFAOYSA-N 422.794 6.494 0 40 HKAB Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)n1 17013049 QEQPCHAZAYKFFK-UHFFFAOYSA-N 421.589 5.818 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccc2oc(-c3cc(C)cc(C)c3)nc2c1 17087534 PHAOAYKSVAQTBX-UHFFFAOYSA-N 406.869 6.026 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 17088695 KEQQKLWOWUQZNR-UHFFFAOYSA-N 410.926 5.822 0 40 HKAB COc1cccc(CN[C@@H](Cc2ccsc2)c2nccs2)c1OC1CCCC1 19568179 DSRUGBOLESTRFE-IBGZPJMESA-N 414.596 5.608 0 40 HKAB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(Br)cc1 20895259 QLLGFFVMNAGVJC-JTQLQIEISA-N 423.719 5.516 0 40 HKAB COc1ccccc1NC(=O)Cn1c(Cc2cccc3ccccc23)nc2ccccc21 21216708 BUCVNJAIPYTFST-UHFFFAOYSA-N 421.500 5.428 0 40 HKAB COc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N3[C@@H](c4ccccc4)[C@H]23)cc1 25504098 MLHWUXUTDHHXKI-UTTOWIBESA-N 419.322 5.385 0 40 HKAB CC(C)Oc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 27248953 CKJFSUDNDFFHAR-UHFFFAOYSA-N 414.549 5.021 0 40 HKAB Cc1c(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)oc2ccccc12 27664669 ICLWYTJGSATPSS-OAQYLSRUSA-N 410.945 5.742 0 40 HKAB CCOc1ccccc1Nc1nnc(SCc2coc(-c3ccccc3)n2)s1 29866745 JBWCKYOWBXNWIF-UHFFFAOYSA-N 410.524 5.628 0 40 HKAB Cc1ccc(-c2noc(COc3ccccc3C(=O)N[C@H](C)c3ccccc3)n2)cc1 32579120 HRYBUGLSWPXKIX-GOSISDBHSA-N 413.477 5.115 0 40 HKAB O=C(NCc1ccccc1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 36367193 KKQTUSNHBHKDAC-XMMPIXPASA-N 410.517 5.060 0 40 HKAB CC(C)c1c(C(=O)Nc2ccccc2Br)cnn1-c1ccc(F)cc1 40069956 VIELGQPWGHVQKQ-UHFFFAOYSA-N 402.267 5.150 0 40 HKAB CCOc1cc(OCC)cc(C(=O)Nc2cccc(NC(=O)c3cccc(C)c3)c2)c1 41091602 SZUNZXNCLITZGK-UHFFFAOYSA-N 418.493 5.297 0 40 HKAB CN(C)c1ccc(NC(=O)c2csc(-c3ccccc3F)n2)c(C(F)(F)F)c1 64301568 MPJSPRKAPLMIHJ-UHFFFAOYSA-N 409.408 5.286 0 40 HKAB COc1ccc2cc(C(=O)NCc3nc(-c4ccc(Cl)cc4)c(C)s3)[nH]c2c1 65680067 XLKHFXLARFTCDW-UHFFFAOYSA-N 411.914 5.192 0 40 HKAB CCCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 72215887 UDNHLCGPKWEALV-QFIPXVFZSA-N 409.574 6.482 0 40 HKAB CCCOc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccccc23)cc1 72328446 ZABBHRWVHNJTBS-UHFFFAOYSA-N 403.526 5.262 0 40 HKAB O=C(c1cccc(Cl)c1)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 96400869 YPHMEKSGVWTWTE-UGSGIHTQSA-N 406.869 5.963 0 40 HKAB CC1(C)CC2=NC(Nc3nc4ccccc4o3)=N[C@H](c3ccccc3Cl)C2=C(O)C1 102666371 GZEGGDOMJPLPKO-HXUWFJFHSA-N 420.900 6.077 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccncc2)cc1 102721644 TXYBUJYWYJCOPK-UNMCSNQZSA-N 410.304 5.939 0 40 HKAB Cc1ccc([C@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1C 218877795 UOFZXVUOXHDRRX-INIZCTEOSA-N 404.348 5.446 0 40 HKAB C[C@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCc3ccc(-c4ccccc4)o3)cn2)C1 223911315 VTDVHSFIGHIGBQ-HDICACEKSA-N 420.582 5.311 0 40 HKAB CCc1cccc(CC)c1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 224519246 FIBIENGCJNZUHI-JWGURIENSA-N 418.562 5.591 0 40 HKAB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)/C=C/c3ccccc3Cl)C2)n1 225540559 WLCRVSLQIWZELE-HHNLSAEISA-N 421.928 5.193 0 40 HKAB Cc1cccc([C@H](NC(=S)Nc2cccc(Br)c2)c2ccccc2)c1 225698061 QKYDKKIKKFGHMG-HXUWFJFHSA-N 411.368 5.834 0 40 HKAB CCOc1ccc(C2(NC(=S)Nc3ccc(C(F)(F)F)cc3)CCCC2)cc1 225859367 ICXQDHXGWOAKKW-UHFFFAOYSA-N 408.489 5.860 0 40 HKAB COc1ccc2cc(S(=O)(=O)Nc3ccc(OCc4ccccc4)cc3)ccc2c1 225875521 UHFVRXITOUEKBB-UHFFFAOYSA-N 419.502 5.228 0 40 HKAB Cc1cc(N)cc(Br)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 227145428 LFUBEHAJMCBGJK-SECBINFHSA-N 418.118 5.053 0 40 HKAB O=C(c1ccccc1-c1ccccc1)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 257312146 UMQSLZVXDWAGRX-JOCHJYFZSA-N 422.528 5.233 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCN3CCCC[C@H]3C)cc2)CCCCCC1 260816768 PXJHODXPTRCRNN-HXUWFJFHSA-N 402.579 5.008 0 40 HKAB O=C1CS[C@@H](c2ccc(OCc3cccc(F)c3)cc2)N1c1ccc(Cl)cc1 408560296 YOXNSFPOSQTFSX-QFIPXVFZSA-N 413.901 5.837 0 40 HKAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccccc1Sc1ccccc1 408700722 KWKQCSYGPSHITJ-UHFFFAOYSA-N 413.564 5.771 0 40 HKAB Cc1cccc(COc2ccc(Br)cc2/C=C2\SC(=O)N(C)C2=O)c1 408811691 AIFNMLSVRCYCBH-YVLHZVERSA-N 418.312 5.003 0 40 HKAB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccc(Br)o1 408842297 KCEXWTIZGMCMBV-JXMROGBWSA-N 408.660 5.255 0 40 HKAB O=C(Nc1c(Cl)cccc1Cl)C1CCN(C(=O)c2cccc(Cl)c2)CC1 409019691 WDBHOHWPDWZSQA-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB Cc1ccccc1COc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 409023147 PLHCLFVAPPVZNM-HMAPJEAMSA-N 403.865 5.572 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]1c1cccc(Cc2ccc(F)cc2)n1 1848355121 HZYMTUIQPIKTDC-RUZDIDTESA-N 413.496 5.199 0 40 HKAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 2037846236 NBZGXTWRQJXNQU-MRXNPFEDSA-N 421.447 5.045 0 40 HKAB COc1ccccc1[C@@H](CCN[C@H](C)c1ccccc1)c1ccc(OC(C)C)cc1 1783190 QMIIQMXGYVQMID-BWKNWUBXSA-N 403.566 6.355 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)cc1 2086614 BZWCHDGPFXSLFV-HNNXBMFYSA-N 420.965 7.383 0 40 HKAB COc1cccc(Oc2c(C)oc3cc(OCc4cc(C)ccc4C)ccc3c2=O)c1 2103758 CNGSDNPRILIQJF-UHFFFAOYSA-N 416.473 6.098 0 40 HKAB biogenic COc1ccc(NC(=O)c2c(CC(C)C)csc2C(=O)Nc2ccccc2)cc1 2199231 FPAMVIWUJSFKNH-UHFFFAOYSA-N 408.523 5.460 0 40 HKAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(SCc2ccccc2)o1 2234058 ZYOJAPHMMVSHNW-SFHVURJKSA-N 411.527 5.170 0 40 HKAB Cc1ccccc1[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 2343845 UKYRWTJOKZXHAC-UNMCSNQZSA-N 418.338 6.254 0 40 HKAB CCc1ccc(-c2nc(-c3cc4ccc(OC(C)=O)cc4oc3=O)sc2C)cc1 2964192 PFIWEFAMAOOCJS-UHFFFAOYSA-N 405.475 5.380 0 40 HKAB COc1ccccc1/C=C/C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 3281627 FZHBLHTYQKZSEP-DHZHZOJOSA-N 417.943 5.144 0 40 HKAB Cc1c(O)ccc([C@@]23CCCC[C@@H]2C2(CCCCC2)c2ccc(O)c(C)c2O3)c1O 3626373 FVHKEAUPKRWEDW-GJZUVCINSA-N 408.538 6.100 0 40 HKAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2c[nH]c3ccccc23)N1c1ccc(C)cc1 3672012 QJTKMWGQSNYXOQ-VWLOTQADSA-N 424.504 5.378 0 40 HKAB CNC(=O)c1c(Sc2ccc(Cl)cc2)c(-c2ccccc2)nc2ccccc12 4084665 UJMVUBLOYIGOLA-UHFFFAOYSA-N 404.922 6.066 0 40 HKAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(CCC1=CCCCC1)C(=O)c1ccco1 4240724 KVADLNFLCAHENZ-XMMPIXPASA-N 420.553 5.412 0 40 HKAB COc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1c1ccccc1 4907363 CNYGZWFXLDSFKU-NRFANRHFSA-N 407.311 5.813 0 40 HKAB Cc1ccc(-n2nc(-c3ccc(Br)cc3)c3cnc4ccccc4c32)cc1 4970344 IGMCCWJFPZCUOE-UHFFFAOYSA-N 414.306 6.312 0 40 HKAB Cc1ccccc1CCNc1c2c(nc3cc(-c4ccc(F)cc4)nn13)CCCC2 4980654 AXQMASQJRZXFLV-UHFFFAOYSA-N 400.501 5.377 0 40 HKAB Nc1c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc2n1C1CCCCC1 5215487 ADMTWCWODXQVMV-UHFFFAOYSA-N 417.557 5.292 0 40 HKAB c1ccc(C2=NC[C@@](c3ccccc3)(C3(c4ccccc4)SCCCS3)O2)cc1 5412069 YPDXNKWXEPBALI-XMMPIXPASA-N 417.599 6.082 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(N3C(=O)c4cccc(Cl)c4C3=O)c(C)c2)c1 5795937 NHERUJFIWQEGOR-UHFFFAOYSA-N 404.853 5.010 0 40 HKAB COc1ccc(-c2nc(-c3ccccn3)sc2Sc2ccc(Cl)cc2)cc1 5880181 BZWUFMJDKUREES-UHFFFAOYSA-N 410.951 6.685 0 40 HKAB CC(C)COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)cc1 6563770 NFSUDHLXZHYOOW-UHFFFAOYSA-N 416.546 5.928 0 40 HKAB C[C@H]1CSC(N(C(=O)c2cc(F)c(F)cc2Cl)c2ccc(Cl)cc2)=N1 6579273 JOYMAQYHYVLRGE-VIFPVBQESA-N 401.265 5.410 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2OC)cc1 6595687 ZAZNGXIVTCDJAN-UHFFFAOYSA-N 416.477 5.771 0 40 HKAB Cc1ccc(SCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c(C)c1 7407316 LVHQARCZRHBFLX-UHFFFAOYSA-N 406.555 5.019 0 40 HKAB Clc1ccc(COc2ccc3ccccc3c2CNCc2ccco2)c(Cl)c1 7523620 JSOQPSUVVGFHNU-UHFFFAOYSA-N 412.316 6.608 0 40 HKAB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 7928149 DTIULLRRVDWOIL-LJQANCHMSA-N 400.478 5.087 0 40 HKAB COc1cc(CNCCSc2ccc(C)cc2)ccc1OCc1csc(C)n1 7983977 YNQWYHHSZAYKFO-UHFFFAOYSA-N 414.596 5.229 0 40 HKAB O=C(Cc1ccc(Cl)cc1)NCc1ccc(-c2ccc(Br)cc2)o1 8071596 JUCDZRLQYFVURD-UHFFFAOYSA-N 404.691 5.221 0 40 HKAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1-c1ncc(-c2ccccc2)o1 8367139 JOBCUNWJZCPZBA-QFIPXVFZSA-N 423.516 5.013 0 40 HKAB Cc1c(O[C@H]2CCCCC2=O)ccc2c(-c3ccccc3)c(-c3ccccc3)c(=O)oc12 8437574 QEOTXZZKIZWMNR-DEOSSOPVSA-N 424.496 6.326 0 40 HKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 8478076 PKMGPZPVGKYDGJ-OAQYLSRUSA-N 414.933 5.199 0 40 HKAB Cc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)C[C@@H](c1ccc(Cl)cc1)C3 8559444 RHAOAYNQOVAVLK-INIZCTEOSA-N 405.860 5.410 0 40 HKAB Cc1[nH]c2ccccc2c1SCCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 8923843 MDPOPTVMDQMLGA-UHFFFAOYSA-N 412.986 5.850 0 40 HKAB CC(C)c1cc(C(=O)N[C@H](C)c2nc3ccccc3n2C(F)F)c2ccccc2n1 9115204 TZLJOMYANTXIMU-CQSZACIVSA-N 408.452 5.594 0 40 HKAB COc1ccc(-c2noc(CCC(=O)Nc3ccccc3Oc3ccccc3)n2)cc1 11475448 XUDUXJHLBNQXJX-UHFFFAOYSA-N 415.449 5.109 0 40 HKAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1ccccc1Oc1ccccc1 12600035 FKYRYKQWMVKKNQ-UHFFFAOYSA-N 404.857 5.274 0 40 HKAB Cc1nc(C)c(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)s1 12693422 ASUVGWCKDGUNEA-UHFFFAOYSA-N 419.428 5.283 0 40 HKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)s1 12785964 UWOMSVYIYJNLSP-UHFFFAOYSA-N 423.538 5.951 0 40 HKAB COc1ccc(Cl)cc1-c1nn(CN2CCC[C@@H]2c2ccccc2)c(=S)[nH]1 12929410 ZQTQODROHHAFFF-QGZVFWFLSA-N 400.935 5.064 0 40 HKAB c1ccc(-c2cc(Nc3ccc4c(c3)OCO4)c3cc(C4CCCCC4)ccc3n2)cc1 13213443 QZUUGTOVWGFKHF-UHFFFAOYSA-N 422.528 7.422 0 40 HKAB OC(C[C@H](c1ccccc1)c1cccc2ccccc12)(c1ccccc1)c1ccccc1 16971039 AVGLOPSEIIZSCL-SSEXGKCCSA-N 414.548 7.298 0 40 HKAB Cc1ccc(-c2nn(Cc3ccc(F)cc3Cl)c(-c3ccc(C)cc3)c2C)cc1 17083082 UNSIYMNPGVVYLM-UHFFFAOYSA-N 404.916 6.983 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 17089769 DWDBYVDKOGVCGE-GDXASINISA-N 414.332 7.419 0 40 HKAB Cc1ccc(SCc2cc(=O)[nH]c(Nc3nc(-c4ccccc4)cs3)n2)cc1 19819608 YYBYSFLPJIVECN-UHFFFAOYSA-N 406.536 5.238 0 40 HKAB CC1CCN(Cc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)cc2)CC1 20104712 ALFXOFRPDDQDSX-UHFFFAOYSA-N 416.590 6.322 0 40 HKAB COc1ccc(NC(=O)c2ccccc2NC(=O)CCSc2ccccc2)cc1 20249411 XQILEBPOLCAELT-UHFFFAOYSA-N 406.507 5.068 0 40 HKAB COc1ccc(-n2nc(Nc3cccc(Cl)c3C)c3c2CC(C)(C)CC3=O)cc1 20797087 KCTRZIBIUDWBQU-UHFFFAOYSA-N 409.917 5.741 0 40 HKAB Fc1ccc(OCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 20840197 NBRCGYXCBNFBSK-UHFFFAOYSA-N 418.556 5.392 0 40 HKAB Cn1cccc1[C@H]1CCCN1Cc1nc(O)c2sc(-c3ccc(Cl)cc3)cc2n1 25045562 AXDMDWYJCYAPRK-GOSISDBHSA-N 424.957 5.393 0 40 HKAB COc1ccc(-c2cc(NC(=O)c3ccc(C(C)=O)s3)ccc2OC(F)F)cc1 27012589 GUDBPETXWPMHOZ-UHFFFAOYSA-N 417.433 5.480 0 40 HKAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c12 27984889 MYSDMKLGUMVIRE-UHFFFAOYSA-N 408.811 5.079 0 40 HKAB O=C(c1ccccc1)N(Cc1ccc(OCc2ccc(F)cc2)cc1)c1ccccn1 28292991 AFKOMVNZWAAMOM-UHFFFAOYSA-N 412.464 5.647 0 40 HKAB COc1ccccc1[C@H]1CC(O)=Nc2sc(C(=O)Nc3ccccc3C)c(C)c21 32105462 ZASGWNQAPFXZEF-MRXNPFEDSA-N 406.507 5.749 0 40 HKAB Cc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)C(C)(C)C)cc1 33386099 FSFIOJLJSIBANJ-CYVLTUHYSA-N 413.517 5.802 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 37210470 WNZIILVMBVEYLL-FQEVSTJZSA-N 402.972 5.358 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N[C@]23C(=O)Nc2c(Cl)cccc23)cc1Cl 49947062 FQNTYYYHMICBRZ-QFIPXVFZSA-N 424.287 5.179 0 40 HKAB O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)C1(c2ccc(Cl)cc2)CCCC1 70640047 KTWLDWNTNXPOPC-SFHVURJKSA-N 411.851 5.020 0 40 HKAB O=C(c1ccncc1)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72349155 KRZRZQXNZNYJQY-SFHVURJKSA-N 411.427 5.182 0 40 HKAB CCN(CC)[C@H](CNC(=O)c1cc(-c2ccccc2)on1)c1ccc(C(C)(C)C)cc1 94992821 ACIJKWWBIVPOHU-HSZRJFAPSA-N 419.569 5.452 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)NC1C[C@H]2CC[C@H](C1)N2Cc1ccco1 100423715 SQOUZFIVLCUXOJ-NHCUHLMSSA-N 401.510 5.264 0 40 HKAB CC1(C)CC2=NC(Nc3nc4ccccc4s3)=N[C@H](c3ccccc3)C2=C(O)C1 102681014 LLVUKSUDIDGOOE-HXUWFJFHSA-N 402.523 5.892 0 40 HKAB CO[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118924473 RCXPTZJNVLDKKV-FVEYCNCKSA-N 400.691 8.043 0 40 HKAB Cc1cccc2c(C(=O)NCC(C)(C)c3ccccc3F)cc(-c3cccnc3)nc12 141550741 QDOJXHYORRQDOS-UHFFFAOYSA-N 413.496 5.452 0 40 HKAB C[C@@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc2c(c1)OCCO2 222656850 AKIIFXGHJJIBHW-WNSCPLKPSA-N 419.908 5.529 0 40 HKAB CC[C@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc2c(c1)CCCC2 223090783 MYCJDZOOEVNKSO-SANMLTNESA-N 404.598 5.678 0 40 HKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)CCCC2 223128144 NLYFBLPENSSEDI-LOSJGSFVSA-N 407.598 6.288 0 40 HKAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(CN2CCCCCC2)cc1 223721042 WUNSMOHGNTWHDK-UHFFFAOYSA-N 408.586 5.169 0 40 HKAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc(C)c(C)c1 224618612 WLINNIRMBGAMRA-UHFFFAOYSA-N 403.522 5.254 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(F)cc3F)o2)c1 224900401 ALKFQQNAODKVAK-UHFFFAOYSA-N 406.388 5.548 0 40 HKAB CCN(CC)CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 225525871 NIPBXWZQUROFEL-UHFFFAOYSA-N 414.977 5.511 0 40 HKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225623554 FMUMRISIXVPUSY-YKSBVNFPSA-N 404.595 5.111 0 40 HKAB CCCCOc1ccc(NC(=O)[C@@](C)(CCCC)OCCC)cc1C(=O)OCC 225846089 UOSZWZMLIJEKDS-HSZRJFAPSA-N 407.551 5.356 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc(Cl)ccc1OCc1ccccc1 408588946 XJEMNEIAEXKGCG-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]21)c1ccccc1 408625499 YJKWSURSJGMESX-PBGAUENZSA-N 410.300 5.389 0 40 HKAB COc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1Br 408628858 DZEBMTMXLNCMEK-AWEZNQCLSA-N 403.320 5.089 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2ccc(F)cc2)c1 408696985 DESUUWITVIQNFY-UHFFFAOYSA-N 422.463 5.787 0 40 HKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc(F)c2)nc1-c1ccccc1 408698900 SSSKAGUCNPLWTP-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2cccc(Cl)c2C)nc1-c1ccc(F)cc1 408699400 UBJMEYVUTMHGNL-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB COc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 409113287 FIGGQWOOWWTUMJ-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB COc1ccc(CCNc2ncnc3sc(C)c(-c4ccccc4)c23)cc1OC 628586 TXYRRFPYRGZQMI-UHFFFAOYSA-N 405.523 5.339 0 40 HKAB O=C(Nc1ccc2ccccc2c1)c1ccc(Br)cc1Br 682428 OQWDCALICLCCAY-UHFFFAOYSA-N 405.089 5.617 0 40 HKAB CC1=C(CC[C@@]2(C)OC(=O)N(C3CC(C)(C)NC(C)(C)C3)[C@@]2(C)O)C(C)(C)CCC1 710747 YTLQRXDKKVFHPU-RPBOFIJWSA-N 420.638 5.522 0 40 HKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2ccco2)cc1 812993 YUUDGGXZWMVZHG-UHFFFAOYSA-N 418.522 5.183 0 40 HKAB COc1ccc2nc(NC(=O)c3ccc(NC(=O)C4CCCCC4)cc3)sc2c1 858262 URRSJLGVJQGCDD-UHFFFAOYSA-N 409.511 5.076 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccccc1Cl 1509497 XXAYDOFNZLPHEJ-UHFFFAOYSA-N 418.905 5.947 0 40 HKAB Cc1cc(C)cc(Oc2coc3cc(OCCCc4ccccc4)ccc3c2=O)c1 1915235 QQOWFEPJHPWLEY-UHFFFAOYSA-N 400.474 6.214 0 40 HKAB CCCCCc1ccc(-c2ccc(-c3nc(-c4ccc(Cl)cc4)no3)cc2)cc1 2026387 PBFRHLCRMATNFJ-UHFFFAOYSA-N 402.925 7.457 0 40 HKAB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccc5ccccc5c4)ccc3o2)cc1 2062658 DMBZASNANZCQPL-UHFFFAOYSA-N 420.512 7.198 0 40 HKAB CCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccc(F)cc2)no1 2398780 HGLWNZSYRONCMA-UHFFFAOYSA-N 403.413 5.194 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(Cc1ccco1)C3=O 2407728 REMUKJPOVSCNJO-HSZRJFAPSA-N 413.473 5.563 0 40 HKAB Cc1ccc(C)c(NCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)c1 2887777 OYZCZYHKHRRUGF-UHFFFAOYSA-N 401.535 5.555 0 40 HKAB CCN(CC)Cn1nc(-c2ccc(OC)cc2)n(-c2ccccc2C(C)C)c1=S 3244591 TYYVFVXKLKENIX-UHFFFAOYSA-N 410.587 5.502 0 40 HKAB CC(C)(C)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 3301182 APJVHLPTORWWNE-UHFFFAOYSA-N 424.957 5.776 0 40 HKAB CCn1c(-c2ccccc2)c(C(=O)CSc2nc3ccccc3o2)c2ccccc21 3321984 LRNGPQICHUVNPE-UHFFFAOYSA-N 412.514 6.444 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(Cl)cc1)c1ccccc1 3390667 WUCWYDWIBIMPMY-OAQYLSRUSA-N 409.869 5.276 0 40 HKAB Cn1nc(C(F)(F)F)c(/C=C/c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1Cl 4285097 MXEUVPHEEBOJKY-VOTSOKGWSA-N 422.716 5.332 0 40 HKAB Cc1ccc(CSc2nnc(NC(=O)c3ccccc3C(F)(F)F)s2)cc1 4328601 NHDXDBYMZSEQGY-UHFFFAOYSA-N 409.458 5.410 0 40 HKAB Cc1ccc(Nc2nc(C(=O)OCC(=O)c3cccc(Cl)c3)cs2)cc1C 4676398 GMUSUNZVGPUSQM-UHFFFAOYSA-N 400.887 5.197 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCC(=O)O)cc1 4814142 FEVDLZJUSLWDNE-RUZDIDTESA-N 410.473 5.163 0 40 HKAB Brc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 4934989 BQACHTJVYRIJGM-PXNSSMCTSA-N 411.324 5.753 0 40 HKAB CCc1nc(SCC(=O)Nc2cccc3ccccc23)c2oc3ccccc3c2n1 5296033 PBKCLEKURVZBJP-UHFFFAOYSA-N 413.502 5.822 0 40 HKAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3ccc(C)c(C)c3)c2)c(C)c1 5652884 WDHYLCKDIJOGFP-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB COc1ccc2nc(C)cc(SCC(=O)Nc3ccccc3Br)c2c1 6193885 MMMMFWLHQZAXJR-UHFFFAOYSA-N 417.328 5.045 0 40 HKAB CCc1cccc(CC)c1NC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 6545096 LQJKSNVGVJZOSP-UHFFFAOYSA-N 417.336 5.992 0 40 HKAB CC(C)(C)C1CCC(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)CC1 6566999 XEHCTCRGRVCFGC-XPJNUEMQSA-N 403.570 5.815 0 40 HKAB CCCCC(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)OCC)cc1 6593682 PITLHKYIVAZEEH-UHFFFAOYSA-N 408.325 5.894 0 40 HKAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc3ccccc3c2)cc1 6630460 WPBQKEJZHHTCMK-UHFFFAOYSA-N 410.473 5.259 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 7080175 KUKAGPGTTXGWEC-KRWDZBQOSA-N 416.546 6.494 0 40 HKAB FC(F)(F)c1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)c1 7191691 KHSZEIIPBSVIPD-XLIONFOSSA-N 400.425 6.009 0 40 HKAB CC(C)c1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)cc1 7193593 NVEWBDPUFOIPEH-UHFFFAOYSA-N 417.918 5.156 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CN(C)Cc1ccc(C(=O)Nc2ccccc2)cc1 7643058 VDVSLSBTHFSUBD-UHFFFAOYSA-N 424.548 5.373 0 40 HKAB Cc1ccc(-c2csc3nc(CN(C)[C@@H]4CCCc5ccccc54)[nH]c(=O)c23)s1 7674339 KDJVQNSWYYRGAB-GOSISDBHSA-N 421.591 5.531 0 40 HKAB Cc1nc(-c2cccc(NC(=O)c3ccc(OCc4c(C)noc4C)cc3)c2)cs1 7990580 OQPZUAFELGFGJZ-UHFFFAOYSA-N 419.506 5.555 0 40 HKAB COc1ccc(-c2nonc2NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 9129731 GBRQRJMJGOZXJG-UHFFFAOYSA-N 420.277 5.519 0 40 HKAB CN1C(=O)c2cc(NC(=O)c3ccccc3C(F)(F)F)ccc2Oc2ccccc21 9134461 BMBIOYMDGMRDGN-UHFFFAOYSA-N 412.367 5.340 0 40 HKAB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(C)c(C)c3)n3ccccc23)cc1C 9316547 NCNYIYDOCDBGCX-UHFFFAOYSA-N 411.505 5.238 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2C)cc1 10314200 PKTCLZIWXLLMNA-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(CN2CCCCC2)cc1 10337607 XNAOZWQPQOQKKQ-UHFFFAOYSA-N 400.522 5.504 0 40 HKAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1ncc(Cc2ccc(F)cc2)s1 11689914 NRTJQJICMVNJJG-UHFFFAOYSA-N 406.482 5.704 0 40 HKAB COc1ccc2c(c1)C(c1ccc(C)cc1)=NNC(c1ccc(Br)cc1)=N2 12486495 XXPMNTISHHKMFF-UHFFFAOYSA-N 420.310 5.200 0 40 HKAB Fc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(-c5ccccc5)cc4)=NN23)cc1 12564829 VAHAKZWTXMJSCY-IAPPQJPRSA-N 420.487 6.735 0 40 HKAB Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC(F)F)cc2)cc1 12617474 RDTHNYVLAMQGSM-RBBKRZOGSA-N 410.395 5.669 0 40 HKAB O=C(Cc1ccc(Br)cc1)Nc1ccccc1-c1nc2ccccc2s1 12766995 MRFPRBZRAVGART-UHFFFAOYSA-N 423.335 5.907 0 40 HKAB COc1ccc(/C=C/c2noc(C)c2NC(=O)Cc2c(Cl)cccc2Cl)cc1 12984206 PDLCJYHDIWRJGP-DHZHZOJOSA-N 417.292 5.650 0 40 HKAB O=C(c1ccccc1OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 13686944 WKVXRSUTSNMANG-UHFFFAOYSA-N 407.513 6.108 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccc4ccccc4c3)ccc21 13708740 WUOWYOJZBXXNFK-SFHVURJKSA-N 408.501 6.374 0 40 HKAB O=C(CCCSc1ccccc1)Nc1ccccc1NC(=O)Nc1ccccc1 14182076 KMQYVYDMWKUERY-UHFFFAOYSA-N 405.523 5.842 0 40 HKAB COc1ccc(C2=Nc3c(-c4ccc(OC)cc4)c(C)nn3[C@H](c3cccnc3)C2)cc1 14607607 OPZSVBSQEXBNMB-DEOSSOPVSA-N 424.504 5.385 0 40 HKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(C)c(C)c1 17081893 BJEKJCOKTZPSJS-UHFFFAOYSA-N 400.478 5.989 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCCC4)cc3)o2)cc1Cl 17087576 LBGBTJRBSKBYJB-ACCUITESSA-N 406.913 6.161 0 40 HKAB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cc(Cl)ccc1Cl 17090470 RJCOCOVAYCMYLU-UHFFFAOYSA-N 416.087 6.917 0 40 HKAB C#C[C@]1(OC(=O)CCCCCC)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C 17284343 APTGJECXMIKIET-WBNMOLNCSA-N 410.598 6.014 0 40 HKAB biogenic COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@H](c3ccc(F)c(F)c3)N1CC2 19550723 CPQKGOHIFYQAKA-RPWUZVMVSA-N 408.448 5.054 0 40 HKAB Cc1nc(-c2ccccc2F)sc1C(=O)Nc1nnc(CCc2ccccc2)s1 19666222 UHCCBBLCIRAXSE-UHFFFAOYSA-N 424.526 5.147 0 40 HKAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 20044578 GYPVDZIDPITKGV-XJVZSZGSSA-N 407.529 6.090 0 40 HKAB Cc1ccc([C@@H](NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c2ccccc2)cc1 20106597 BNMKWUHCYWEPHE-MHZLTWQESA-N 412.577 5.746 0 40 HKAB Cc1ccc(/C=C(/c2nnc(-c3ccc(C)cc3)o2)S(=O)(=O)c2ccccc2)cc1 32577832 FAOKVUUKIVVVLJ-JWGURIENSA-N 416.502 5.325 0 40 HKAB C[C@H](Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1nnc(-c2ccccc2)o1 32853709 OMCHXHRNJRIXQB-INIZCTEOSA-N 421.447 6.102 0 40 HKAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1ccccc1Cl 32900324 DJXACFMTSXFYLW-KRWDZBQOSA-N 406.913 5.354 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)C3(c4ccc(F)cc4)CCC3)n2)c1 32906823 RMCRLMVXXWZZLT-UHFFFAOYSA-N 412.486 5.027 0 40 HKAB CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3)sc2c1 33000392 JRNNUSUNJVTICE-UHFFFAOYSA-N 413.568 5.402 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 36398723 ZVUMSGMZYQIWMQ-QHCPKHFHSA-N 410.608 5.828 0 40 HKAB C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)c1c[nH]c2ccccc12 36686297 IQTCQVXCNAZZTG-VIFPVBQESA-N 424.835 5.246 0 40 HKAB COc1cc(NC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc(OC)c1OC 36709336 NPVJVCJLLKPYQP-UHFFFAOYSA-N 419.437 5.165 0 40 HKAB CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 40130762 OLUBRYPKXDDZPM-FQEVSTJZSA-N 421.562 5.101 0 40 HKAB Cc1ccc(Cn2ccc3c(cnc4c(-c5ccc(Cl)cc5)c(C)nn43)c2=O)cc1 40397591 ABNBVPCHJJGTQD-UHFFFAOYSA-N 414.896 5.030 0 40 HKAB CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3CC=CC(=O)O3)[C@@H]21 44699418 BIYWBTKPNWCYHM-CHRHFRJDSA-N 400.559 5.391 0 40 HKAB in-vitro COc1cc([C@H]2SCC(O)=Nc3c2c(C)nn3C)ccc1OCc1ccccc1C 44901569 SHXZMQVMHBDAHA-JOCHJYFZSA-N 423.538 5.049 0 40 HKAB CN(c1ccccc1)c1ccccc1NC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1 48083625 RHJDLVKGTAZKGC-QFIPXVFZSA-N 416.525 5.063 0 40 HKAB O=C(CSc1ccc(-c2cccc(Br)c2)nn1)c1ccccc1Cl 57486361 PNYNTPUYOPKQIM-UHFFFAOYSA-N 419.731 5.535 0 40 HKAB Fc1ccc(CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)c(Cl)c1 57510809 LURLBSVIJOKZNR-UHFFFAOYSA-N 404.297 6.135 0 40 HKAB CC[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1C1CCN(C(=O)[C@H](C)CC)CC1 72307949 CTTXJRODFRSDDH-HUUCEWRRSA-N 412.496 5.442 0 40 HKAB Cc1cc(Nc2ccccn2)cc([C@H]2CCCN2C(=O)CCCc2ccc(F)cc2)n1 72372675 FIBMVRSZSQCAJB-HSZRJFAPSA-N 418.516 5.354 0 40 HKAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2Cc2cc(C)ccc2OC)n1 72390694 SJTYLSQSPACOMM-HSZRJFAPSA-N 416.569 5.535 0 40 HKAB COc1ccc(/C=C2/SC(=O)N(CCOc3ccc(C(C)(C)C)cc3)C2=O)cc1 96401662 QIJPFWUUZNWIEI-HMMYKYKNSA-N 411.523 5.108 0 40 HKAB O=c1oc2cc(Br)ccc2n1Cc1csc(-c2ccccc2Cl)n1 97731692 DMFZNZNIQDWKLT-UHFFFAOYSA-N 421.703 5.182 0 40 HKAB C[C@@H](NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)[C@H]1C[C@@H]2CC[C@@H]1C2 101988768 KGHGLAFUBMLMDN-DAVBRLECSA-N 405.478 6.706 0 40 HKAB CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc(Cl)c1O 104354497 PIZGAWLJHKEAQJ-UHFFFAOYSA-N 404.919 5.068 0 40 HKAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 118916349 JNLBJTOWMWKEJV-VWTLAJDASA-N 418.618 5.873 0 40 HKAB CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc2ccccc2c1 219348007 BRBZAPSNNRERLI-DEOSSOPVSA-N 405.538 5.535 0 40 HKAB CCCCc1ccc(NS(=O)(=O)c2ccc(SC)c(NC(=O)C(C)C)c2)cc1 223462965 HECKCCQHUBFFSX-UHFFFAOYSA-N 420.600 5.146 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1c1ccccc1 224153110 IHATYTHPQSWRSN-DLBZAZTESA-N 416.369 5.083 0 40 HKAB COC(=O)c1c(NC(=O)c2cc(C(C)C)c(OC)cc2C)sc2c1CCCC2 225660046 XVBPFXZSSBBXBF-UHFFFAOYSA-N 401.528 5.106 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c2ccccc12 225684158 NEFVBJXNWCXTIC-UHFFFAOYSA-N 405.513 6.608 0 40 HKAB CCOc1cccc2c1OC1(CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CC[C@@H](C)O[C@@H]21 257229268 FXKLJLXNGMDBCQ-POAQFYNOSA-N 417.546 5.104 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(Cl)cc2)c1 408693975 GKNAMLNXDWTKMQ-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)cc3C)n2)cc1 408697819 JVTYAYNSKVKCKW-UHFFFAOYSA-N 410.521 5.674 0 40 HKAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccccc1 408705969 RONAJPFKNSJYRE-UHFFFAOYSA-N 422.912 5.068 0 40 HKAB Cc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccncc2)cc1C 409105236 KBLHWMFXTQMBIF-UHFFFAOYSA-N 406.942 5.892 0 40 HKAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccccc2)c1 409106863 OWTFLCCFNRTECT-UHFFFAOYSA-N 401.535 5.338 0 40 HKAB CCc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1Cl 409110257 AJIHDYNHRAUUPE-UHFFFAOYSA-N 420.767 7.400 0 40 HKAB Cc1c(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)[nH]c2ccc(F)cc12 2037845621 FESYKVQNNPCATD-NRFANRHFSA-N 421.447 5.311 0 40 HKAB Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3cccc(C(F)(F)F)c3)c(N)c12 714283 GTSOPAPIWWZVDW-UHFFFAOYSA-N 419.350 5.477 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)c1C 924485 YXQKVIKSNOXPKI-UHFFFAOYSA-N 421.570 5.193 0 40 HKAB Cc1cccc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1C 943770 OWSIUKMXPAPIQF-UHFFFAOYSA-N 417.328 5.207 0 40 HKAB S=C1CO[C@H](c2ccc(Br)cc2)N1c1ccc(Br)cc1 1099817 CWCUGLRMOWOXIM-OAHLLOKOSA-N 413.134 5.074 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2cc(C)ccc2C(C)C)sc2c1CCCC2 1903799 HUOCNPLMIHDXOQ-UHFFFAOYSA-N 415.555 5.253 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(COc2ccc3c(c2)CCC3)cc1 2105166 UDXXOZJALBMZQA-UHFFFAOYSA-N 412.316 6.313 0 40 HKAB CCCc1ccc(C(=O)N2c3cc(N)ccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 2294797 LWVUBBKFEPVFLW-MUUNZHRXSA-N 412.577 6.356 0 40 HKAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 2306982 NFTQUSBOMVVQQY-BOPFTXTBSA-N 417.770 5.963 0 40 HKAB Cc1ccc(N2C(=O)C[C@@]3(CC4c5ccccc5C3c3ccccc34)C2=O)cc1Cl 2411811 LTTQAAIXSVAINP-XAZLJPHMSA-N 413.904 5.579 0 40 HKAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 2647610 ANKZRNBDFLAYCQ-OAHLLOKOSA-N 412.844 5.391 0 40 HKAB CCOc1ccc([C@@H]2C[C@H](c3ccccc3OC(F)F)n3ncnc3N2)cc1Cl 2918277 IHUYCCOTZFHFRJ-JKSUJKDBSA-N 420.847 5.078 0 40 HKAB Cc1cc(C)cc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)c1 3012942 IWODOQXIBVYLKE-DOTOQJQBSA-N 404.392 5.006 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn12 3236058 SXYAYOJWQXGLBY-UHFFFAOYSA-N 408.379 5.447 0 40 HKAB Cc1cccc(C(=O)O[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)c1 3294424 XNLUPQWCSWCUFG-HXUWFJFHSA-N 414.288 5.839 0 40 HKAB C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)c1ccc(OC(F)F)cc1 3446666 KHVJGIHGNNDLGP-LBPRGKRZSA-N 421.494 5.115 0 40 HKAB NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1ccc(C(F)(F)F)cc1 4177703 VPTQYRMAJHEKJB-JLPGSUDCSA-N 401.171 5.090 0 40 HKAB COc1ccc(-c2c(C)c3cc(OC(=O)c4ccccc4OC)ccc3oc2=O)cc1 4340742 KMPFXFOIDJLAJW-UHFFFAOYSA-N 416.429 5.005 0 40 HKAB biogenic COc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)c(Cl)c1 4413629 RATZYNZICJLKHE-UHFFFAOYSA-N 403.309 5.266 0 40 HKAB Cc1cc(C)cc(NC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)c1 4553949 PTYJCBLMOOCMHU-UHFFFAOYSA-N 400.909 6.733 0 40 HKAB C[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 4649485 MKCSKRCYYLFVSQ-NZWMYCLXSA-N 419.409 6.059 0 40 HKAB COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 4715838 AEGDELKUDBWWDG-XUZZJYLKSA-N 404.441 5.085 0 40 HKAB Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)c2cccc3ccccc23)cc1 4732453 ZECPFLFHDDLFQF-UHFFFAOYSA-N 419.488 5.102 0 40 HKAB CC(=O)N1N=C(c2ccccc2Cl)O[C@@H]1c1cccc(OCc2ccccc2)c1 4893592 FWWPOYVPSVEXFQ-HSZRJFAPSA-N 406.869 5.158 0 40 HKAB CCCO[P@](=O)(OC=C(Cl)Cl)O[C@](C)(CC)C(Cl)(Cl)Cl 5431513 FQKMTSBABMRBHT-GSDQLPOLSA-N 408.473 6.370 0 40 HKAB Cc1noc(-c2ccc(OCc3ccccc3F)cc2O)c1-c1ccc(Cl)cc1 5451169 XXCXUSOYNXLHIY-UHFFFAOYSA-N 409.844 6.394 0 40 HKAB biogenic Cc1ccc2c(c1)[C@H]1CC(c3ccc(Cl)cc3)=NN1C1(CCN(C(C)C)CC1)O2 5499930 CLBGSIPBFRQRGK-JOCHJYFZSA-N 409.961 5.392 0 40 HKAB Cc1cc2nc(-c3cccc(NC(=O)COc4ccc(Cl)c(C)c4)c3)oc2cc1C 5724921 JEGUUSZHXPHVEQ-UHFFFAOYSA-N 420.896 6.091 0 40 HKAB CC1CCN(c2ccc(NC(=S)NC(=O)c3cccc4ccccc34)cc2)CC1 6515748 FBCYQXDAZWNOJE-UHFFFAOYSA-N 403.551 5.203 0 40 HKAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2nc(-c3cccnc3)cs2)cc1 6830870 RJQDSUWYNSYEMF-UHFFFAOYSA-N 406.536 5.127 0 40 HKAB C[C@@]12CC3CC(NCc4ccc(-c5ccc(Br)cc5)o4)(C1)C[C@](C)(C3)C2 7524888 QGRIQPCXRUYDPS-QLOAFGCXSA-N 414.387 6.548 0 40 HKAB O=C(Cc1coc2ccc3ccccc3c12)NC[C@@H](c1cccs1)N1CCCC1 7686885 UEWPKQWPLZYCCK-FQEVSTJZSA-N 404.535 5.143 0 40 HKAB COc1ccc(OCCCSc2nnc(C34CC5CC(CC(C5)C3)C4)o2)cc1 8412112 IPYBTRUOOPUCGX-UHFFFAOYSA-N 400.544 5.107 0 40 HKAB Oc1c(Br)cc(/C=C/c2ccc3cccc(O)c3n2)cc1Br 8452593 WYQQMKWEHOPOEY-GQCTYLIASA-N 421.088 5.341 0 40 HKAB COc1ccccc1[C@@H]1CC(=O)c2cnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C1 8559437 LSRKKEMBOBZXMZ-INIZCTEOSA-N 417.896 5.279 0 40 HKAB O=C(Nc1ccnn1C1CCCC1)c1oc2ccccc2c1COc1ccccc1 9125622 SEEFUBWTDITLSN-UHFFFAOYSA-N 401.466 5.576 0 40 HKAB COc1ccc(Cc2cnc(NC(=O)CCc3ccc(-c4ccccc4)o3)s2)cc1 11689923 PTPBLFASNMBBHU-UHFFFAOYSA-N 418.518 5.574 0 40 HKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CN[C@@H](C)c1ccc(F)c(F)c1 12867852 QGQJCYKLHRYLAC-LBPRGKRZSA-N 424.322 5.984 0 40 HKAB CC(=O)Nc1ccc(C(=O)CSc2nc3cc(Cl)ccc3c3c2CCCC3)cc1 12881912 MUMBOPSFFGPIJE-UHFFFAOYSA-N 424.953 5.700 0 40 HKAB O=C(c1ccc(Br)cc1F)N1CCC[C@H](c2nc3ccccc3s2)C1 12981473 ZJUXEDMQRLYUEH-LBPRGKRZSA-N 419.319 5.218 0 40 HKAB CC[C@H](c1ccccc1)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 13550289 PNCXRKQXRVOHPF-CYBMUJFWSA-N 407.326 6.031 0 40 HKAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OCc2ccccc2Cl)cc1 13926231 DIJRHZGBDQEQLW-MTJSOVHGSA-N 407.828 5.403 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(C2CC2)nn1-c1ccccc1 14075072 NOJXXEHBTYISOI-UHFFFAOYSA-N 405.807 5.674 0 40 HKAB Clc1ccccc1COc1ccc(Br)cc1CNCc1cccs1 16450025 UGQYLUSLSCTUHV-UHFFFAOYSA-N 422.775 6.033 0 40 HKAB O[C@H](CNCc1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 16477550 XWIXVVVHURQWNJ-OAQYLSRUSA-N 402.321 5.396 0 40 HKAB COP(=O)(OC)c1nc(Cc2cccc3ccccc23)oc1NCc1ccccc1 16752562 NUCHCDAKVWMDKI-UHFFFAOYSA-N 422.421 5.142 0 40 HKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1ccc(C)cc1 17088269 LLBINDAYZWTTLN-DEOSSOPVSA-N 409.489 5.334 0 40 HKAB Cc1cc(-c2ccsc2)nc(C2CCN(C(=O)c3cc4ccccc4o3)CC2)n1 19118563 GXAQBGBEIANHRJ-UHFFFAOYSA-N 403.507 5.280 0 40 HKAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C 20461418 QSPXEOPYGHDMHL-MQAYZUIZSA-N 403.566 6.177 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1OC[C@H]1CCCO1 21531300 JAXUFSFQKWTTBP-LJQANCHMSA-N 414.461 5.305 0 40 HKAB Cc1cc(I)cnc1NC(=O)c1cccc2c(Cl)cccc12 32125362 IPMWUWOMHMAFHG-UHFFFAOYSA-N 422.653 5.054 0 40 HKAB CCC(C)(C)[C@H]1C/C(=C/c2ccccc2Cl)c2nc3ccccc3c(C(=O)O)c2C1 33608578 AFTYYGLAVWVJGH-FDWYHIAWSA-N 419.952 7.126 0 40 HKAB Cc1cc(C)cc(-c2nnc(SC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)o2)c1 36395319 HGRYGPVLBZYKRV-MRXNPFEDSA-N 403.548 5.093 0 40 HKAB C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 44912880 VOLCIMHLHDFNCF-RDJZCZTQSA-N 403.353 5.183 0 40 HKAB O=C(N[C@@H](c1ccc(Cl)cc1)c1cccs1)c1cccc(Cn2ccnc2)c1 46151116 SBGQDHKPKXGDGE-NRFANRHFSA-N 407.926 5.166 0 40 HKAB C[C@@H](N[C@@H](c1ccccc1)c1cccs1)C(=O)Nc1cccc(Br)c1 57593871 LAWMZDSMQXGDAW-KUHUBIRLSA-N 415.356 5.217 0 40 HKAB O=C(Nc1ccc2nc(SCc3ccccn3)sc2c1)c1ccccc1Cl 59417570 VXTHZTNRVQKATF-UHFFFAOYSA-N 411.939 5.889 0 40 HKAB CCOc1ccccc1CNC(=O)c1scc(-c2ccc(F)cc2)c1-n1cccc1 64472690 UQXZQVZALBRNBE-UHFFFAOYSA-N 420.509 5.674 0 40 HKAB COc1ccccc1-n1c(SCc2cc(C)ccc2C)nc2ccccc2c1=O 67259539 SOZRPMBBCKVRGW-UHFFFAOYSA-N 402.519 5.303 0 40 HKAB COc1ccc2nc(CN3CCC(c4nnc(-c5ccc(C)s5)o4)CC3)ccc2c1 72389942 OYXCGZIMKSLHNW-UHFFFAOYSA-N 420.538 5.043 0 40 HKAB COc1ccc([C@H]2C3=C(O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)cc1 102664199 RPIXHMSOMGWMFB-VFNWGFHPSA-N 406.873 5.005 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 123259905 QIHXSWPLWOYYST-IPSCSQKRSA-N 402.663 6.648 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)c(Cl)c3)N21 222665376 AWSZUYBYEFKXKB-UIAACRFSSA-N 401.963 5.502 0 40 HKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 222957830 OGPYVYAKTGBAJF-OAQYLSRUSA-N 409.913 6.545 0 40 HKAB S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1ncc(Cl)nc1Cl 223978042 HJXRPYGMSSIGCZ-UHFFFAOYSA-N 415.777 5.235 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)c1 224310211 AKUPDAVQPOFPSI-JWQCQUIFSA-N 424.573 5.666 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 224894669 UHQPHGFTGGDDIK-UHFFFAOYSA-N 412.445 5.438 0 40 HKAB CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c2ccccc2O1 224905548 UMCBDIVRJHVNQL-UZLBHIALSA-N 401.934 5.615 0 40 HKAB Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(I)c1 225010960 DSYNVADCEVGWDX-UHFFFAOYSA-N 406.050 5.159 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2ccccc12 225775557 ZBHSZURZQGCWQX-GOSISDBHSA-N 421.512 5.843 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2ccc(N3CCCC[C@H]3C)c(N)c2)cc1Cl 226268742 BVYLECSWOADGBE-GFCCVEGCSA-N 408.329 5.215 0 40 HKAB Cc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 226355706 VFPOMPWRMMYYBC-UHFFFAOYSA-N 422.506 5.203 0 40 HKAB Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCCC4CCCC4)CCOCC3)c2)c1 257273187 NFOWZNUODWGTKS-UHFFFAOYSA-N 419.609 6.006 0 40 HKAB CCOc1ccccc1Cc1ccc([C@H]2CCCN(C(=O)C3CCCCC3)C2)nc1 257284880 PERZELSJDJFIHF-QHCPKHFHSA-N 406.570 5.357 0 40 HKAB CCCc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(CC)c1-c1ccc(F)cc1 408562707 RNNYTOAVCGSBHN-PNHLSOANSA-N 424.585 6.367 0 40 HKAB COc1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2ccccc2c1Br 408623287 SIYFTOYUFXFURP-UHFFFAOYSA-N 404.691 5.825 0 40 HKAB Cc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1 408836892 WSFZHKNHHFVALB-UHFFFAOYSA-N 404.922 6.691 0 40 HKAB CCc1ccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)cc1 409005497 FEUQMBYPACBGMJ-UHFFFAOYSA-N 419.506 5.095 0 40 HKAB COc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc(F)c1 409117141 KVFOISBBTFYXBJ-UHFFFAOYSA-N 420.311 6.641 0 40 HKAB Cc1ccccc1NCc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1 409180032 URXKDORXFKIUHG-UHFFFAOYSA-N 407.513 6.554 0 40 HKAB Fc1cccc(COc2ccc(Br)cc2CNc2ccc(Cl)cc2)c1 409180167 WGQKTZKEBYZASC-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB CCOc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccc(F)cc1 409181538 CVHFFUZYCQNALZ-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB Cc1ccc(COc2ccc(CNc3ccc(F)cc3)cc2Br)cc1 409204464 GVGDMLCKWKYDGN-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2ccc3ccccc3c2F)cc1 585091706 BOTLQTQGVIRLNM-UHFFFAOYSA-N 413.448 5.520 0 40 HKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2cc(F)cc(F)c2)C1 1848357407 ZXJLCRUBQMXGBI-VWPQPMDRSA-N 423.887 5.122 0 40 HKAB CN(C)c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(Cl)ccc3O)c2)cc1 2268198 DHIQVXUIMGSCHK-UHFFFAOYSA-N 400.909 6.508 0 40 HKAB CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 2372862 DGYUKDSGLVGPFP-DNQXCXABSA-N 424.529 5.213 0 40 HKAB COc1ccc(Cn2nc(-c3ccc(C)c(C)c3)c(C)c2-c2ccc(C)c(C)c2)cc1 2733390 BJWBYQMCCQLMEN-UHFFFAOYSA-N 410.561 6.816 0 40 HKAB Cc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(=O)O)cc1 3154348 ABJHMRCVIHTEQO-UHFFFAOYSA-N 413.498 6.341 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(C)c(C)c2)cc1 3655526 RVBFTQBKDNETQB-UHFFFAOYSA-N 413.473 5.607 0 40 HKAB COc1ccccc1NC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 4231190 CKQXFSBFPNMWMA-UHFFFAOYSA-N 419.525 5.212 0 40 HKAB O=c1ccccc2c(/C=C/c3ccccc3Br)nn(-c3ccccc3)c12 4667313 YVNHNIPXXJDMIF-CCEZHUSRSA-N 403.279 5.319 0 40 HKAB COc1ccc(-c2nnc(SC(c3ccccc3)c3ccccc3)o2)c(OC)c1 5170921 VAKRFKIUBWSVIC-UHFFFAOYSA-N 404.491 5.636 0 40 HKAB Cc1ccc(C(=O)Nc2c(-c3cccc(Cl)c3)c(=O)c3ccccc3n2C)cc1 5244867 BTJPFMKXBDAMAR-UHFFFAOYSA-N 402.881 5.420 0 40 HKAB CCCCCC[C@@H](C)CCCCCCCCNCCOC(=O)c1ccc(N)cc1 5837489 JDKRQCLYDUOXNT-JOCHJYFZSA-N 404.639 6.352 0 40 HKAB CCc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 5887966 QRJBKHDKWOJYQD-QGZVFWFLSA-N 414.534 5.255 0 40 HKAB Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1NC(=O)c1cc2ccccc2o1 5960480 IUIYGSBWNFWJLI-UHFFFAOYSA-N 404.853 5.899 0 40 HKAB O=C(COc1ncnc2sccc12)Nc1cc(Cl)ccc1Oc1ccccc1 6996799 RMGCFXFGZFHCTM-UHFFFAOYSA-N 411.870 5.155 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)cc2)cc1 7882217 ROTVJCGUJQTFIE-QGZVFWFLSA-N 420.896 5.432 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)c1 8335512 JGVMBIBODMHYRR-UHFFFAOYSA-N 418.924 7.141 0 40 HKAB Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)n2c(C)ccc2C)cc1 8475588 DOPNHCLHZBTGPW-UHFFFAOYSA-N 415.320 5.381 0 40 HKAB Cc1c(NC(=O)c2cc3ccccc3o2)cc(Br)c(N)c1Br 8702093 DZYNAZAQICFBQD-UHFFFAOYSA-N 424.092 5.101 0 40 HKAB COc1cccc(-c2nnc(S[C@@H](C)c3ccc(F)cc3)n2Cc2ccco2)c1 9155366 CJZJBKFVBYYPFD-HNNXBMFYSA-N 409.486 5.587 0 40 HKAB Cc1c(C)n(Cc2ccccn2)c2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c12 9419922 OZGHRCAAKOOTNP-UHFFFAOYSA-N 423.307 5.113 0 40 HKAB Cc1c(Cl)cccc1Nc1nc(-c2cccc(NC(=O)c3ccccc3)c2)cs1 9994657 SBJBTJYCEHUDJJ-UHFFFAOYSA-N 419.937 6.768 0 40 HKAB CCCCc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1 10330656 LHCZQGPBVMUICR-UHFFFAOYSA-N 422.550 5.391 0 40 HKAB Cc1cccc(N(CC(=O)Nc2cc3c(cc2Cl)OCO3)Cc2ccccc2)c1 10504845 DJOLLMFYZFMMOV-UHFFFAOYSA-N 408.885 5.022 0 40 HKAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)Cc1ccc(Cl)cc1Cl 12800052 RGXSDQIOIMQRBU-UHFFFAOYSA-N 423.321 5.481 0 40 HKAB COc1ccc([C@@H](C)NC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1F 12924935 KYZJDYDMPZKUKH-OAHLLOKOSA-N 417.440 5.042 0 40 HKAB Cc1ccc2cc3c(nc2c1C)OCCN(CCc1ccc(-c2ccccc2)cc1)C3 13563802 CJQCKCMLNWZPTL-UHFFFAOYSA-N 408.545 5.956 0 40 HKAB CCOc1ccccc1CCCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 13672218 OTVRNTYIMGUHQX-FCDQGJHFSA-N 419.952 6.028 0 40 HKAB O=C(Nc1ccccc1OC(F)(F)F)c1nc(Cl)c(Cl)c(Cl)c1Cl 14679354 NPVFTDBBKNWYBD-UHFFFAOYSA-N 420.001 5.846 0 40 HKAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4OC)cc3c2C)cc1 15729488 KUGRIUDPWAUPDJ-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB biogenic CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4cc(F)ccc4F)cc3)c2O1 15881163 JCUMBSVJQAZTLZ-UHFFFAOYSA-N 409.432 5.510 0 40 HKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1 15947622 JBIPRTMVXJKSAM-BLVKFPJESA-N 424.547 5.583 0 40 HKAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2cc(Cl)ccc2Cl)o1 16431203 PEBDWYUUOWGPPL-UHFFFAOYSA-N 423.708 6.769 0 40 HKAB Cc1ccc(C)c(NC(=O)COc2cccc3ccc(N4CCC[C@H](C)C4)nc23)c1 17026259 QMEJNBVOJMUSHG-SFHVURJKSA-N 403.526 5.105 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 17090803 BTTDBXHWZORGFW-UHFFFAOYSA-N 416.546 6.278 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)/C=C/c1ccc(Cl)cc1 17092515 YYCGSOYHWUALGP-MDWZMJQESA-N 420.921 6.277 0 40 HKAB O=C(NC(=S)Nc1ccc(Br)cc1F)c1ccc(Cl)cc1Cl 17092874 NUBNKBBDMGTSDQ-UHFFFAOYSA-N 422.106 5.022 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)CSc4ccc(Cl)cc4)ccc3o2)c1 17093390 BRNDEJVFGONXJF-UHFFFAOYSA-N 422.937 6.496 0 40 HKAB O=C(NCCc1c[nH]c2ccccc12)c1oc2ccccc2c1COc1ccccc1 17295027 LASQRAFCMHYJTG-UHFFFAOYSA-N 410.473 5.466 0 40 HKAB Cc1cc(-c2ccsc2)nc(C2CCN(C(=O)c3ccc4ccccc4n3)CC2)n1 19118598 FAXYNWHLTRKELS-UHFFFAOYSA-N 414.534 5.082 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1)c1nnc2n1N=C(c1ccc(Cl)cc1)CS2 19851113 GFSAGWRVTXCNJK-LLVKDONJSA-N 405.310 5.083 0 40 HKAB Cc1ccc(-c2sc(NC(=O)c3cccc(F)c3)nc2-c2ccc(C)c(C)c2)cc1 19894501 OCILNFPEXNQCOQ-UHFFFAOYSA-N 416.521 6.794 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cccnc1Nc1cccc(Br)c1 22072292 ZUDFXWUZFDBIDR-UHFFFAOYSA-N 402.679 5.493 0 40 HKAB COCc1c(C(=O)N(C)Cc2ccccc2C(F)(F)F)sc2cccc(F)c12 22901928 JODLMANNHKGPIZ-UHFFFAOYSA-N 411.420 5.478 0 40 HKAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3nc(-c4ccccc4)oc3C)cc2)n1 23012619 PNDMGBRVBIRRNI-UHFFFAOYSA-N 416.506 5.460 0 40 HKAB C[C@@H](Nc1nc2ccccc2s1)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 29014973 IXPJXLJIAPYMMO-BFUOFWGJSA-N 411.527 5.203 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1 32115398 ZXFYTEBPFPGBOP-UHFFFAOYSA-N 414.795 5.687 0 40 HKAB CN(Cc1ccccc1NC(=O)Cc1csc(-c2ccccn2)n1)C1CCCCC1 32900664 AARNPVSTYBQFTP-UHFFFAOYSA-N 420.582 5.151 0 40 HKAB CCOC(=O)c1ccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 33789724 WQXKZMBOQPIELY-YDXVBCDDSA-N 417.549 5.648 0 40 HKAB CC(C)(C)c1cc(-c2nc3cnccn3c2Nc2ccccc2)cc(C(C)(C)C)c1O 35606587 IHFCLNHWXSAMQL-UHFFFAOYSA-N 414.553 6.441 0 40 HKAB Cc1ccc(-c2cc(C(=O)N3CCC(c4nc5ccccc5o4)CC3)no2)cc1C 35673052 QQRYGIANEUOGJX-UHFFFAOYSA-N 401.466 5.119 0 40 HKAB Cc1cc(-c2csc(NC(=O)c3ccc(C4SCCCS4)cc3)n2)c(C)o1 58407019 RWGYTHONLWTWTN-UHFFFAOYSA-N 416.593 6.141 0 40 HKAB O=C(/C=C/c1cc(Br)ccc1OCc1ccccc1)Nc1ccc(O)cc1 62715224 ILGKLGHAFCHSJL-AWNIVKPZSA-N 424.294 5.386 0 40 HKAB O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1c(F)cccc1F 96124432 WHSLBOMCFUWRTD-UHFFFAOYSA-N 408.433 5.479 0 40 HKAB Cc1ccc2[nH]cc(CCn3c(-c4ccccc4)cs/c3=N/c3ccccc3)c2c1 101379494 CFBQCVWRMCUEMO-BYCLXTJYSA-N 409.558 6.481 0 40 HKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102636778 AIAACAPGUYHRFB-VDNWNZSNSA-N 418.968 6.418 0 40 HKAB CCc1ccc(CC)c(CNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 223945920 XQJXOVRDEWFSQZ-UHFFFAOYSA-N 416.968 5.132 0 40 HKAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1cc(C)cc(C)c1 224195264 IXWXJYQIHCDOOW-UHFFFAOYSA-N 421.493 5.161 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccccc1C(C)C 224564889 ZMFCOCFPOXTCEW-UHFFFAOYSA-N 407.485 6.179 0 40 HKAB O=C(Nc1cccc2ccccc12)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224925368 ZMNNHZJSCLENMS-UHFFFAOYSA-N 408.432 6.553 0 40 HKAB CCCO[C@@]1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC[C@@H](C)C1 225662994 CTUQLVQALNQYIH-BWKNWUBXSA-N 416.606 5.111 0 40 HKAB COC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCC2)ccc1OCC(C)C 225678281 STYSYVCZOQJWEM-UHFFFAOYSA-N 409.526 5.267 0 40 HKAB CCOC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1Cl 225693180 QCWJLRZPBYJLOT-UHFFFAOYSA-N 416.301 5.181 0 40 HKAB COc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ncccc34)CCCC2)cc1 225865062 VKGJCVZOTSAHOL-UHFFFAOYSA-N 418.537 5.729 0 40 HKAB O=Cc1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 226339513 WJCSDTBOABLBNM-UHFFFAOYSA-N 404.485 5.257 0 40 HKAB Cc1cc(N)cc(Br)c1NC(=O)/C=C/c1ccc(Cl)cc1Cl 226763572 KHLSXJSXXDRVOT-HWKANZROSA-N 400.103 5.298 0 40 HKAB CCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1Br 408560359 YXLDIODGMKTCIU-UHFFFAOYSA-N 419.544 5.876 0 40 HKAB Cc1cc(O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc(C)c1Cl 408705405 DZOVHHJWWJJGCN-HXUWFJFHSA-N 407.941 5.953 0 40 HKAB CC(C)(C)c1ccc([C@@H]2C=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 408723769 KZKDKSKIVRACQK-DEOSSOPVSA-N 418.487 6.346 0 40 HKAB CCCc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccc(OC)c(OC)c1 408822549 CDWHNVLAVGUHLB-UHFFFAOYSA-N 400.475 5.171 0 40 HKAB CCOc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccccc1 409097214 NEYMSGBNPOHMGJ-HAHDFKILSA-N 403.503 5.750 0 40 HKAB Cc1ccc(Cl)cc1NCc1ccccc1OCc1ccc(Br)cc1 409116968 VVWUMIIOIICNOG-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1cccnc1 409149092 XEVOOIMAKVSGHC-PXLXIMEGSA-N 417.534 5.158 0 40 HKAB CC(C)(C)c1ccc(OCCn2cc(C(=S)N3CCCCC3)c3ccccc32)cc1 409207060 ZSJMYLPTOKNHOW-UHFFFAOYSA-N 420.622 6.179 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC 409210185 IWIIPTXAPOLYFL-NOEYKIMYSA-N 411.523 5.152 0 40 HKAB CCCOc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccccc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 585265118 VOMKMIMRDZXVIE-HOUBMWHVSA-N 424.537 5.426 0 40 HKAB CCCc1nc(CCC2CCCC2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265196 IPKUDVLPRWSKRP-UHFFFAOYSA-N 416.359 6.285 0 40 HKAB Cc1ccc(-c2csc(N(Cc3ccccc3)C(=O)c3cccc(F)c3)n2)cc1 1223385 CNCJVDJCQFADFC-UHFFFAOYSA-N 402.494 6.105 0 40 HKAB O=c1c2cc(F)ccc2c(-c2ccc(F)cc2)nn1-c1ccc(C(F)(F)F)cc1 1396570 GEMQIENFEPCGCG-UHFFFAOYSA-N 402.322 5.350 0 40 HKAB Cc1ccc(OCC(=O)n2c(SCc3ccc(F)cc3)nc3ccccc32)cc1 1446502 PWWZZDNQKNTGSI-UHFFFAOYSA-N 406.482 5.495 0 40 HKAB COc1ccc(-n2c(SC(C)C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 1812128 CWLAWHOFRCZCHU-CYBMUJFWSA-N 400.569 5.081 0 40 HKAB CCCSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCC1)Cc1ccccc1-2 1822645 UOLZMLNQVDGMED-UHFFFAOYSA-N 416.590 6.078 0 40 HKAB biogenic COC(=O)Cc1c(C)c2ccc(OCc3ccc(C(C)(C)C)cc3)c(C)c2oc1=O 2094130 JPQBJEWWDRECCG-UHFFFAOYSA-N 408.494 5.002 0 40 HKAB biogenic CCCCCCOc1ccccc1/C=C/[C@@]12NC(=O)CN1c1ccccc1C2(C)C 2108801 JYGKOMQEUOILDF-ZMNABIIRSA-N 404.554 5.283 0 40 HKAB biogenic CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCc3ccc(C)cc3)cc12 2319401 FHCJKIINECPQQF-UHFFFAOYSA-N 416.473 6.173 0 40 HKAB biogenic Cc1ccc(CN(C(=O)Nc2cccc(Cl)c2)c2nnc3n2CCCCC3)cc1 2684495 UJFSSXUZBNFQOB-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB O=C(Nc1ccc(Sc2ccccc2Cl)cc1)c1ccc(Cl)cc1Cl 3116762 QMTUBGHFHKDLIF-UHFFFAOYSA-N 408.737 7.050 0 40 HKAB C[C@]12CC[C@H](OC=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 3843927 YRJDKDJYIUMOKX-AXVVJWJQSA-N 420.593 5.354 0 40 HKAB O=C(c1ccccc1Cl)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1 4188687 VLIPCSPUDNHOMA-UHFFFAOYSA-N 404.922 6.311 0 40 HKAB CC(C)(C)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(Br)c1 4616521 HVIGITZYGFXAPJ-UHFFFAOYSA-N 402.115 6.273 0 40 HKAB Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1ccc(Br)cc1 4678706 VWIVMRKMMPCNGN-UHFFFAOYSA-N 411.130 5.769 0 40 HKAB Cc1ccccc1Nc1c(-c2cccc(Br)c2)nc2ccc(Cl)cn12 4733817 LYSWESFHDAYJQO-UHFFFAOYSA-N 412.718 6.469 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(SC)cc2)cc1 5150083 QJZDLKHYCOZPOP-LADGPHEKSA-N 402.519 5.659 0 40 HKAB O=C1/C(=C\Nc2ccccc2)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 5446698 GUXNRAWPIDLRLJ-JXAWBTAJSA-N 408.379 5.345 0 40 HKAB Cc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1 6375903 DYXFWFXMUDKZGW-UHFFFAOYSA-N 407.720 5.787 0 40 HKAB O=C(COC(=O)c1oc2ccccc2c1COc1ccccc1)NC1CCCCCC1 7777484 ZJXIKMOPGUJLMP-UHFFFAOYSA-N 421.493 5.008 0 40 HKAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1 7851842 LJZZHIFTBWGBJF-OAHLLOKOSA-N 420.538 5.402 0 40 HKAB O=C(COc1c(Cl)cccc1Cl)N[C@H](c1ccc(F)cc1)c1cccs1 8557378 TYFLJPMMKSHJIN-GOSISDBHSA-N 410.297 5.479 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(C(=O)OC(C)C)cc1 8560849 UJUHPBTUDWHQTQ-RMKNXTFCSA-N 408.281 5.219 0 40 HKAB Cc1nc(-c2ccccc2)c(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)s1 9049320 UCXGWFXKPBEWFC-QGZVFWFLSA-N 419.575 5.748 0 40 HKAB O=C(c1ccc(-c2ccccc2F)o1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 9171858 LUBFWLWPACDZAA-OAHLLOKOSA-N 422.481 5.521 0 40 HKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1cccc(OCc2ccc(Cl)cc2)c1 9425612 JLTDQQDIRCMJCA-FYJGNVAPSA-N 424.283 5.917 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(-c3ccco3)o2)c2ccccc2)c1 9516363 DHQCGSDWLPYYEC-LJQANCHMSA-N 405.479 5.419 0 40 HKAB C[C@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc(C(C)(C)C)cc1 10111771 FCPMGAXMIFKHAA-YJZSVRAESA-N 417.980 7.056 0 40 HKAB Cc1ccc2nc(COc3ccc(C(=O)N4CCC[C@H]4c4ccccc4)cc3)cn2c1 10393612 NFNGZYPWLLOGRJ-DEOSSOPVSA-N 411.505 5.199 0 40 HKAB Cc1scc(C(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)c1C 12087471 YAQBJJYPCMXDCX-UHFFFAOYSA-N 410.587 5.243 0 40 HKAB Clc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCCO4)=NN21 12495650 QPYBCKWPRLKFDV-HYBUGGRVSA-N 418.880 5.354 0 40 HKAB CCc1cccc(CC)c1NC(=O)CN1CCc2cc(-c3csc(C)n3)ccc21 12556346 NXFZJUNPDLQKNU-UHFFFAOYSA-N 405.567 5.245 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1-n1ccnc1)c1ccc(Cl)c(Cl)c1 12560161 QPVLMMVBRNGDAD-UHFFFAOYSA-N 400.187 5.450 0 40 HKAB Cc1noc(C)c1CCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 12773766 WOSOABDGHZJTDG-UHFFFAOYSA-N 410.326 5.217 0 40 HKAB COc1cccc(NC(=O)Nc2nnc(C(c3ccccc3)c3ccccc3)s2)c1 13570403 XDICGIFMGBUGEA-UHFFFAOYSA-N 416.506 5.371 0 40 HKAB O=S(=O)(Nc1ccccc1-c1ccccc1)c1cc(Cl)c(Cl)cc1Cl 13948797 WKMXJTGQERUHQM-UHFFFAOYSA-N 412.725 6.115 0 40 HKAB CCOc1ccc(Oc2ccc(NC(=O)C[C@@H](NC(C)=O)c3ccccc3)cc2)cc1 14792106 KJMONUUIFNJMIL-XMMPIXPASA-N 418.493 5.084 0 40 HKAB COc1cccc(-c2nn(-c3ccc(Cl)cc3)c(-c3cccc(OC)c3)c2C)c1 17083076 KXZCRIGJUYKJIJ-UHFFFAOYSA-N 404.897 6.185 0 40 HKAB Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1 17088558 QTVYYJSLPKBNMK-WBADGQHESA-N 410.517 5.479 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 17092129 ZMUKBYMUUQBPMV-UHFFFAOYSA-N 420.378 5.413 0 40 HKAB CSc1nc(=O)c2c3c(sc2[nH]1)[C@@H](c1ccccc1)S[C@@H](c1ccccc1)C3 17138706 POUIJHJIIZDENG-SJLPKXTDSA-N 422.600 5.827 0 40 HKAB O=c1c2[nH]c3ccccc3c2nc(SCc2ccccc2)n1-c1cccc(Cl)c1 17189635 SHKYMCJLYJHQIX-UHFFFAOYSA-N 417.921 5.813 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(Cl)cc4)c3)oc2c1 20808394 BUWCJLCGHMVHAO-KPKJPENVSA-N 402.881 6.417 0 40 HKAB c1ccc(-c2cn(-c3ccccc3)c3ncnc(N4CCc5ccccc5C4)c23)cc1 21797902 BZNPEHLJUCHEIO-UHFFFAOYSA-N 402.501 5.650 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1Cc1coc(-c2cccs2)n1 26457923 PDQBNWAYAUZJKJ-INIZCTEOSA-N 422.337 5.313 0 40 HKAB C[C@@H](Oc1ccccc1F)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 28290837 IMNTWSDXERUSGY-CQSZACIVSA-N 402.828 5.014 0 40 HKAB CCCCc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 30938198 VODBFEQZHDUZIC-IBGZPJMESA-N 419.396 6.187 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(O)c(-c2nc3cnccc3o2)c1 32103782 VUIUFIMORRSWQR-UHFFFAOYSA-N 411.417 5.010 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)c1 32127999 ASALKHRNXUOGLY-UHFFFAOYSA-N 422.484 6.282 0 40 HKAB CCC(=O)[C@H]1[C@H](CC)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 34340928 XFFDYWGJZFMHBB-KKFNWEDRSA-N 400.603 6.112 0 40 HKAB biogenic O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1CCC(c2nc3ccccc3o2)CC1 40103600 CIZFBXVHRDFZCY-UHFFFAOYSA-N 409.489 5.811 0 40 HKAB Cc1ccc(-c2cc3c(SCc4cccc(C(F)(F)F)c4)nccn3n2)cc1C 45925350 OZSGJRZXEQWWDR-UHFFFAOYSA-N 413.468 6.324 0 40 HKAB O=C(OCc1csc(-c2ccccn2)n1)c1ccc(C2SCCCS2)cc1 55149486 OVOULWAOGZQSLH-UHFFFAOYSA-N 414.577 5.431 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(OC(F)F)c2C)c(Br)c1 58305163 PNFRRPCQFGKEPN-LBPRGKRZSA-N 414.246 5.073 0 40 HKAB Cc1ccc(-c2nc(CCNC(=O)Nc3ccccc3N3CCCCC3)co2)cc1 58378450 MDCLIBZZKNTCPA-UHFFFAOYSA-N 404.514 5.005 0 40 HKAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1[nH]c2ccccc2c1Br 65159150 KNMMLQOSEBBQEB-LBPRGKRZSA-N 408.299 5.171 0 40 HKAB CC(C)CN1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215686 PQHYYCHCQJKIFH-NRFANRHFSA-N 401.595 5.949 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 72229895 VZKLYQYHPJPIDQ-XMMPIXPASA-N 417.892 5.836 0 40 HKAB O=C(c1ccc2ncccc2c1)N1CCC[C@H]1c1ccnc(-c2ccc(Cl)cc2)n1 72361058 SMCKEAQGRDQAJH-QFIPXVFZSA-N 414.896 5.323 0 40 HKAB Cc1cccc(Nc2cccc([C@@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)n1 72375639 LUBJUBPAXWZLTJ-QFIPXVFZSA-N 418.516 5.354 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(COCc2ccc(F)cc2)CC1 77191549 IVEURCRMYSNESB-UHFFFAOYSA-N 411.304 5.593 0 40 HKAB Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)Nc1cccc(Cn2cccn2)c1 79104954 FKTIWDITOQRKSW-UHFFFAOYSA-N 421.501 5.231 0 40 HKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1Cl 106971452 UELGPLZZUGXVGF-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccccc1F 195528912 TYKDNJRHRFRXDI-KDUXRMKXSA-N 404.462 5.898 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)ccc1Cl 223266902 SVFDTXCZFZKKGK-LLVKDONJSA-N 408.310 5.226 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1Cc1ccccc1 223404366 FMMTVWFHUWOYPF-ZEQRLZLVSA-N 410.546 5.045 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)c1 224319568 OUUVJSOWAWRIIM-ZEQRLZLVSA-N 416.594 5.792 0 40 HKAB O=C(CCc1nc(-c2cccc(F)c2)no1)N(Cc1ccccc1)Cc1ccccc1 225800649 DAZPQHQJOCCXMM-UHFFFAOYSA-N 415.468 5.037 0 40 HKAB O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(OCc2ccccc2)cc1 311138445 KTRXHQLSXXSYOP-UHFFFAOYSA-N 416.702 5.934 0 40 HKAB COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1F 408554746 FHQVPSZPTKNENS-UHFFFAOYSA-N 414.864 5.117 0 40 HKAB CCc1s/c(=N\C(=O)c2ccccc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408562475 PWQCFNXQRZGZKD-ATJXCDBQSA-N 405.350 5.847 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(F)c(C)c2)cc(Cl)c1OCc1ccccc1 408625652 XSVOHPWDVXSGBB-UHFFFAOYSA-N 413.876 6.018 0 40 HKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(C)ccc3C)n2)c1 408700140 ZASPLUVWYWAWLU-UHFFFAOYSA-N 414.484 5.559 0 40 HKAB O=C(O)Cc1sc(Nc2ccc(Cl)cc2Cl)nc1-c1ccc(Cl)cc1 408887264 NGZQLVWHVNXUJL-UHFFFAOYSA-N 413.713 6.141 0 40 HKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)c2ccccc21 409112375 GCKYWQOMMKFULW-QNGOZBTKSA-N 417.480 5.711 0 40 HKAB COc1cccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(C)cc3)n2C)c1 409204606 BDEOFNIZPHSSEI-QPLCGJKRSA-N 414.530 5.479 0 40 HKAB O=C(NC[C@@H](c1ccco1)c1cccs1)C1c2ccccc2Oc2ccccc21 585146667 AOIISWDIUZQLJB-SFHVURJKSA-N 401.487 5.527 0 40 HKAB CN(Cc1cccc2ccccc12)C(=O)c1cnn(-c2ccccc2)c1-c1ccccc1 633083 KEPBSFDYIJJFPM-UHFFFAOYSA-N 417.512 5.965 0 40 HKAB COc1ccc([C@H](NC(=O)Oc2cccc(Cl)c2)C(Cl)(Cl)Cl)cc1 675916 GHMFMXHBGARTGS-AWEZNQCLSA-N 409.096 5.549 0 40 HKAB CC(C)COc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 861575 NPLSMIACLRTIPW-UHFFFAOYSA-N 422.912 5.879 0 40 HKAB CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccccc1 870531 DKLDTYWYUNPVDQ-UHFFFAOYSA-N 414.534 5.422 0 40 HKAB Clc1ccc(-n2cc(-c3ccccc3)c3c(NCc4cccs4)ncnc32)cc1 1447707 LLGMPMTWHLCZRR-UHFFFAOYSA-N 416.937 6.415 0 40 HKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccc(C(C)(C)C)cc1 1924930 CZENQXCWBOBBFB-UHFFFAOYSA-N 407.535 6.142 0 40 HKAB COc1ccc(-c2cc(C(=O)Oc3ccc(Cl)cc3)c3cc(C)ccc3n2)cc1 2079387 FNPJYVNPJPHJSJ-UHFFFAOYSA-N 403.865 6.091 0 40 HKAB COc1cccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)c3cc(C)cc(C)c3n2)c1 2079760 BRRXMQGIDUNNLJ-UHFFFAOYSA-N 410.517 6.396 0 40 HKAB CCOc1ccc2nc(SCC(=O)c3cc(C)n([C@@H](C)COC)c3C)sc2c1 2637663 TWFQRODKLGTIJP-AWEZNQCLSA-N 418.584 5.296 0 40 HKAB CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc(Cl)cc2Cl)cc1 3193867 PMUMPHIQERAJKA-UHFFFAOYSA-N 414.332 6.337 0 40 HKAB Fc1ccc(-c2nnc(Oc3cccc(Oc4ccccc4)c3)c3ccccc23)cc1 3214812 VAKLPUFQUOGVBK-UHFFFAOYSA-N 408.432 7.021 0 40 HKAB c1ccc(CSc2nnc([C@@H]3COc4ccccc4O3)n2-c2ccccc2)cc1 3229377 MOOHBGPHFMCXLP-NRFANRHFSA-N 401.491 5.072 0 40 HKAB Cc1cc(-c2ccccc2)nc(SCC(=O)N(c2ccccc2)c2ccccc2)n1 3304657 FDKDDKBEANLIIN-UHFFFAOYSA-N 411.530 5.909 0 40 HKAB CC(=O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 3846394 CEWZSUATUWEZOK-LPPUWEFUSA-N 420.593 6.051 0 40 HKAB biogenic Clc1ccc(Cn2c(/C=C/c3ccccc3Cl)nc3ccccc32)c(Cl)c1 4002820 OSTKDGIJIUIWIN-ZRDIBKRKSA-N 413.735 7.215 0 40 HKAB CSc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 4033615 HGAYIYDMHUEUFI-LJQANCHMSA-N 413.546 5.327 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cc1 4087636 KVQNIVYKOUFFKC-UHFFFAOYSA-N 413.930 5.312 0 40 HKAB COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 4516632 OYIZPFQCWGHMPU-UHFFFAOYSA-N 416.502 5.748 0 40 HKAB Cc1sc2nc(C(C)C)n3c(SCC(=O)OC4CCCCC4)nnc3c2c1C 4848139 RIFKQCCWYKNNRP-UHFFFAOYSA-N 418.588 5.047 0 40 HKAB O=C(/C=C\c1ccc(Cl)cc1)OCCCCOC(=O)/C=C/c1ccc(Cl)cc1 4946024 MLOMMZSPHHDEQH-MFUUIURDSA-N 419.304 5.587 0 40 HKAB Cc1ccc(Nc2cc(C(C)(C)C)nc3c(-c4ccccc4)c(C)nn23)cc1Cl 5302185 DUMPPACIBKKYDK-UHFFFAOYSA-N 404.945 6.708 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(Cl)c1 5357959 PWBVPFLAEVYBQI-UHFFFAOYSA-N 404.948 5.034 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(F)cc3)n2-c2ccccc2)cc1 5477842 KYDWBPHVSVVCGW-UHFFFAOYSA-N 417.553 6.663 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(-c3cccc4ccccc34)cs2)c1 6219687 PJUANBRHCHDBMQ-UHFFFAOYSA-N 416.546 6.413 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](Nc1ccc(N2CCCC2)cc1)c1ccccc1 7003992 JZHMKSZHHQXEBE-RUZDIDTESA-N 415.537 5.477 0 40 HKAB Cc1nc(Sc2cccc(C(F)(F)F)c2)c2c(-c3cccs3)csc2n1 7653907 TYGDOAWQKBJSCY-UHFFFAOYSA-N 408.495 6.898 0 40 HKAB COc1cccc(NC(=O)N(Cc2nc(-c3cccc(C)c3)no2)C2CCCCC2)c1 7781679 GXXYUJSRJRUSMS-UHFFFAOYSA-N 420.513 5.420 0 40 HKAB CCOC(=O)c1ccc(-c2ccc(CN[C@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1 8253098 AGILTDJDEVMECA-ZFGQVMFLSA-N 407.554 5.818 0 40 HKAB Clc1ccc(-c2cc3ncnc(NCc4ccc(-n5ccnc5)nc4)c3s2)cc1 8704644 VUKNKWNHAXMRKR-UHFFFAOYSA-N 418.913 5.205 0 40 HKAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1ncc(Cl)cc1Cl 8824856 SXTXOYBNPLSXML-UHFFFAOYSA-N 416.639 5.186 0 40 HKAB Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)c1ccc(C(C)(C)C)cc1 9252414 BAROBXZFILOERN-UHFFFAOYSA-N 405.527 5.019 0 40 HKAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1nnc(-c2cccc(Cl)c2)o1 9367742 WLMAYIQIBRGYCJ-ZDUSSCGKSA-N 423.929 5.701 0 40 HKAB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(Br)s1 9404697 JWZPZFYYTHLLGI-UHFFFAOYSA-N 422.354 5.496 0 40 HKAB Cc1cc(C)c(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c(Cl)c1 10120145 PGQRDKJRFYHDNH-UHFFFAOYSA-N 420.896 5.706 0 40 HKAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(-c2ccccc2Cl)o1 11083625 XVJGBNMJDASVFW-UHFFFAOYSA-N 405.885 5.117 0 40 HKAB Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3cccc(Cl)c3Cl)cc2)cs1 12562355 KLNRWMQSMXHRAA-LLVKDONJSA-N 406.338 5.864 0 40 HKAB C[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)c1cc(F)c(Cl)cc1Cl 12689283 CCJKHLQVJYFQTG-CQSZACIVSA-N 409.332 5.609 0 40 HKAB CC(C)(C)NC(=O)CSc1nnc(-c2cc(-c3cccs3)nc3ccccc23)o1 12691060 IZAWUWZSVMURPK-UHFFFAOYSA-N 424.551 5.020 0 40 HKAB COc1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc(Cl)c1OC(C)C 12986221 IRQNQHLSHVHAGR-ZDUSSCGKSA-N 418.946 5.579 0 40 HKAB CN(C(=O)CSc1ccccc1C(=O)Nc1cccc(Cl)c1)C1CCCCC1 13071465 SONCTBOTQNGEML-UHFFFAOYSA-N 416.974 5.476 0 40 HKAB COc1ccc(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 13628126 ILOCIBKVGASNDY-UHFFFAOYSA-N 416.521 5.426 0 40 HKAB CCOc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2)Nc2nc3ccccc3n21 13810758 CDZOLELNRWLXCS-IRLDBZIGSA-N 403.913 6.235 0 40 HKAB O=C(c1cccc(Br)c1)N1CCC[C@@H](c2nc3ccccc3s2)C1 15697266 DPVNSMYJHKDOTI-CQSZACIVSA-N 401.329 5.079 0 40 HKAB O=C(Nc1ccccc1)N[C@@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 15778744 UCOOWOMBWXQQQX-IBGZPJMESA-N 404.857 5.301 0 40 HKAB S=C(Nc1ccccc1)Nc1ccc(NC(=S)Nc2ccccc2)c(Cl)c1 16220017 VLOZGHVFWATHFR-UHFFFAOYSA-N 412.971 5.958 0 40 HKAB O=C(C1CCCC1)N1CCC(c2nc(-c3ccccc3)ncc2-c2ccncc2)CC1 19374396 GCQOCPSKAOXWBA-UHFFFAOYSA-N 412.537 5.102 0 40 HKAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)c2[nH]nc3c2CCCCC3)n1 19690550 LWVNOKAPDLBJFH-HSZRJFAPSA-N 400.526 5.026 0 40 HKAB CCCCCCOc1ccc(CNc2ccc(OCCOc3ccccc3)cc2)cc1 19738246 SLWUOIVBIXTFHY-UHFFFAOYSA-N 419.565 6.716 0 40 HKAB CCc1nc2ccc(C(=O)N(Cc3c(C)noc3C)c3ccccc3)cc2nc1CC 22135165 ITHGHFYKTQJTHS-UHFFFAOYSA-N 414.509 5.206 0 40 HKAB CCN(CC)CCCN(C)Cc1c(-c2ccccc2)oc(-c2ccccc2)c1Cl 27438888 DWHUTCHVMNOMRX-UHFFFAOYSA-N 410.989 6.431 0 40 HKAB O=C(Nc1cccc2ccccc12)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38834073 BHWUVHWTOLSMEM-UHFFFAOYSA-N 413.348 5.997 0 40 HKAB CCOc1ccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 38834344 OFCFEDVNPXKODA-OAHLLOKOSA-N 407.341 5.243 0 40 HKAB Cc1c(C(=O)NCc2nc(-c3ccc(Cl)cc3)cs2)oc2ccc(Cl)cc12 40324715 GGCMLHZRBGDCPU-UHFFFAOYSA-N 417.317 6.102 0 40 HKAB Fc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1Cl 57351626 NURRXWVNRXDEQH-UHFFFAOYSA-N 402.650 6.717 0 40 HKAB Cc1nn(Cc2ccccc2)c(Cl)c1C[S@](=O)Cc1cccc2ccccc12 64829149 XPMKHIWOJLHCRJ-NDEPHWFRSA-N 408.954 5.495 0 40 HKAB Cc1ccccc1-n1nc(-c2nc(-c3cccc(Cl)c3)no2)c2ccccc2c1=O 64950205 OORMWIFMONDSNE-UHFFFAOYSA-N 414.852 5.065 0 40 HKAB O[C@H]1CCCC[C@@H]1N(Cc1ccccc1)Cc1cn(Cc2ccccc2)c2ccccc12 68605821 TYXBYAIWRNBADF-VMPREFPWSA-N 424.588 5.995 0 40 HKAB biogenic C[C@@H](Oc1ccc(F)cc1)c1nnc(C2(c3ccccc3Cl)CCOCC2)o1 71889855 PURAEXMQTZQIOQ-CQSZACIVSA-N 402.853 5.099 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1Cl 72229990 WDNKUGPJFRORLQ-NRFANRHFSA-N 416.304 5.726 0 40 HKAB COc1ccc(CCC(=O)N2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)cc1 72349346 MVZUEXAUNMPPGL-HXUWFJFHSA-N 418.512 5.235 0 40 HKAB CC(C)(C(=O)N1CCC[C@@H]1c1ccc(Nc2ccccn2)cn1)c1ccccc1F 72353230 XAIMMMVLTWTENV-OAQYLSRUSA-N 404.489 5.001 0 40 HKAB CCOc1ccc2nc(NS(=O)(=O)c3cc(C(C)C)ccc3OCC)sc2c1 72414480 YJECXYUFPMCWMR-UHFFFAOYSA-N 420.556 5.018 0 40 HKAB COc1ccc(C(=O)Nc2cc(-n3c(C)c(C(C)=O)c(C(C)=O)c3C)ccc2C)cc1 95470291 VWIVTARTJZYVPR-UHFFFAOYSA-N 418.493 5.069 0 40 HKAB O=C(NC1CCCCCC1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96037758 KWIXYQYBVAUPRE-UHFFFAOYSA-N 414.553 5.475 0 40 HKAB Cc1cc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc(C)c1Cl 218919816 SAMSGJMLBXZQSG-UHFFFAOYSA-N 416.304 6.420 0 40 HKAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCS[C@@H](c2ccccc2F)CC1 219159890 YGWZWECFBXJNQQ-MRXNPFEDSA-N 420.358 5.001 0 40 HKAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222803923 UOEBLZNOWNQHCJ-MOPGFXCFSA-N 418.349 5.641 0 40 HKAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccccc1Cl 224136704 PWYDDOZKBKXRSJ-UHFFFAOYSA-N 424.884 5.138 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1CSc1ccc(C)cc1 224335820 AHYZEBYKYCTOLW-UHFFFAOYSA-N 405.563 6.672 0 40 HKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 224352462 OSUZWXGZWWCQNF-RPBOFIJWSA-N 424.573 5.612 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccc(Cl)c(C)c1 224540322 XDSUIJBRQSUNNM-UHFFFAOYSA-N 415.961 6.079 0 40 HKAB O=C(c1cccc(F)c1)N1CCS/C1=C/c1csc(Nc2ccc(F)cc2)n1 225254201 RTAYTMUNXARQHM-WOJGMQOQSA-N 415.490 5.353 0 40 HKAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(Br)c(C)c1 225703253 DGWVREVRICJWGA-SFHVURJKSA-N 405.361 5.130 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 225834760 BARYXCUFVIVJPK-HXUWFJFHSA-N 403.522 6.103 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 225865769 WYZQOKOYCQRPEC-XZOQPEGZSA-N 423.597 6.340 0 40 HKAB CC(C)c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)on1 257313325 URXJEYXFRTXNST-IBGZPJMESA-N 413.905 5.398 0 40 HKAB COc1ccc(CCN2CCC[C@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)cc1 257328738 XGWZUZQBCPBDOP-NRFANRHFSA-N 422.519 5.381 0 40 HKAB CN(Cc1ccccc1)[C@@H]1CCC[C@@H](Oc2cccc(F)c2Oc2ccccc2)[C@@H]1O 257339978 ZDZSTXZEOQHCGR-VDKIKQQVSA-N 421.512 5.411 0 40 HKAB CC(C)(C)c1ccc(C(=O)Oc2ccc(-c3ccc(-c4ccccc4)cc3)nn2)cc1 408527932 DIEYYJUENUQYBK-UHFFFAOYSA-N 408.501 6.327 0 40 HKAB COC(=O)c1cccc(-c2ccc(/C=C(\Sc3nc4ccccc4o3)C(=O)O)o2)c1 408632989 IOAQPGCGBJHRHM-UNOMPAQXSA-N 421.430 5.092 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408637523 ACVJJRFIGRCUIH-VIFPVBQESA-N 418.107 5.292 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 408697216 GDGMSTGQCDSDRT-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2cccc(C)c2)cc1 408698602 OLQMBQCSDBSUTQ-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB CCc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccc(Cl)cc2)cc1 409099984 SMEBERMTKWYSAT-UHFFFAOYSA-N 423.944 6.582 0 40 HKAB O=C(NC1CCCCCC1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409174439 UBJZZVDRJMYYSK-OYRJNNPGSA-N 414.593 6.436 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 409382556 TWEQVGVFVZPSHV-UHFFFAOYSA-N 402.346 6.846 0 40 HKAB C(=Cc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2nc3ccccc3o2)cc1 1857775683 ORACIQIJMCYPHQ-UHFFFAOYSA-N 414.464 7.473 0 40 HKAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)cc1 648731 LKKHPHHUQUSMIU-UHFFFAOYSA-N 403.482 5.475 0 40 HKAB O=C(Nc1cccc(Cl)c1)N(Cc1nnc2n1CCCCC2)c1ccc(F)cc1 974244 LIWFHCASZYTFLL-UHFFFAOYSA-N 413.884 5.036 0 40 HKAB CCCc1cc(=O)oc2c(C)c(OCC(=O)c3c(C)n(C)c4ccccc34)ccc12 2095631 OWFVBNUAPQJSCT-UHFFFAOYSA-N 403.478 5.116 0 40 HKAB biogenic COC(=O)Cc1c(C)c2ccc(OCc3c(C)ccc4ccccc34)c(C)c2oc1=O 2096438 PSXHFKLNUCRXEH-UHFFFAOYSA-N 416.473 5.166 0 40 HKAB biogenic CCc1ccc(NC(=O)c2cnn3c(-c4ccccc4)cc(-c4ccccc4)nc23)cc1 2192872 ALCHOOLQFOGXBY-UHFFFAOYSA-N 418.500 5.878 0 40 HKAB CCCSc1nc(NNc2ccccc2)c2c3c(sc2n1)COC(C)(C)C3 2442442 UEXUDPFDUHCWFQ-UHFFFAOYSA-N 400.573 5.484 0 40 HKAB CCN(CC)c1ccc(NC(=O)CSc2nc(C)nc3c2oc2ccccc23)cc1 2444860 VVDCMJUSFOROJD-UHFFFAOYSA-N 420.538 5.261 0 40 HKAB O=C(/C=C/c1ccccc1Cl)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 2669419 QFAZIUZNBQCUPZ-CMDGGOBGSA-N 423.752 6.346 0 40 HKAB COc1cc2c3nnc(-c4ccc(C)cc4)c-3cn(Cc3ccccc3)c2cc1OC 2691292 UKAGEXDHNNSPOC-UHFFFAOYSA-N 409.489 5.577 0 40 HKAB FC(F)(F)c1cc(-c2ccccc2)nc2cc(-c3nnc(-c4ccccc4)o3)nn12 2786126 PJKNJSYMWGLXDX-UHFFFAOYSA-N 407.355 5.132 0 40 HKAB COc1ccc(C2=C[C@@H](c3ccccc3OC(F)F)n3c(nc4ccccc43)N2)cc1 2918019 LUPSLACDVOYLCI-NRFANRHFSA-N 419.431 5.702 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 3238780 JRCFVBUTLJXKQS-KRWDZBQOSA-N 413.945 5.847 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 3265748 LYRWDRQMIJVWBK-DHZHZOJOSA-N 409.942 5.007 0 40 HKAB CC(=O)c1cc(C(=O)c2ccc(Br)cc2)sc1Nc1ccccc1 3287882 XVGWODIZKDHIIS-UHFFFAOYSA-N 400.297 5.688 0 40 HKAB Cc1ccc(N2C(=O)/C(=C\Nc3cccc4ncccc34)c3ccccc3C2=O)c(C)c1 3410706 UUSUDXAFTMPAII-JWGURIENSA-N 419.484 5.492 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Nc1ccccc1F)CC2 3434505 ZXCSOCGDRAEIPJ-OAQYLSRUSA-N 412.486 5.084 0 40 HKAB CCc1cc2c(=O)n(CC)c(SCc3c(C)cc(C(C)(C)C)cc3C)nc2s1 3437049 DLEIXJRBFMYVBS-UHFFFAOYSA-N 414.640 6.247 0 40 HKAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCc3ccc(C(C)(C)C)cc3)cc12 3439422 FPJNHVADFXXYIZ-UHFFFAOYSA-N 404.535 6.050 0 40 HKAB CC1=C[C@H](C)[C@H](C2OCC3(CO2)COC([C@H]2[C@H](C)C=C(C)C[C@H]2C)OC3)[C@H](C)C1 4023508 JLEHIYGUDHRGOJ-JTDMKSQHSA-N 404.591 5.195 0 40 HKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2)cc1 4741893 GOYOWLCTKPZFNK-XMMPIXPASA-N 408.505 5.526 0 40 HKAB COc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)N(C(=O)CC(C)C)c2ncnn21 4816975 VHQQJXUEUPVNSW-PMACEKPBSA-N 424.932 5.054 0 40 HKAB CCCCCC[C@H](C)OC(=O)CCSCCC(=O)O[C@@H](C)CCCCCC 4897230 CNJFANVNNVEFCV-PMACEKPBSA-N 402.641 6.304 0 40 HKAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 5023516 YZHRYQRTNJZSCM-GDBMZVCRSA-N 423.504 5.434 0 40 HKAB O=C1OC(c2ccccc2)=N/C1=C\c1c(OCc2ccccc2)ccc2ccccc12 5518515 FNGNZJDIOKNVPP-ULJHMMPZSA-N 405.453 5.763 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cccc(Oc2ccccc2)c1 6496038 HVOLAHAXEHQOQN-UHFFFAOYSA-N 406.441 6.539 0 40 HKAB CCCCCCSc1nnc2n(-c3ccccc3)c(=O)c3c(C)c(C)sc3n12 6728020 TUGCAWUANPLQRA-UHFFFAOYSA-N 412.584 5.384 0 40 HKAB CCOc1ccc(-c2cc(OC(=O)c3ccc(F)cc3)cc3sc(=O)oc23)cc1 6809686 QYUMJALVQPXZNZ-UHFFFAOYSA-N 410.422 5.279 0 40 HKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc3ccccc3c2)c1Cl 6824901 LRPITXGXJXQFRS-UHFFFAOYSA-N 408.712 6.434 0 40 HKAB CCc1ccc2c(c1)C(c1cccs1)=NNC(c1ccc(Br)cc1)=N2 6844178 NFATXJLTHDFMGC-UHFFFAOYSA-N 410.340 5.507 0 40 HKAB Cc1ccc2cc(CSc3nnc(C)n3Cc3ccccc3)c(Cl)nc2c1C 7218538 VGLOKDRXRDOHJJ-UHFFFAOYSA-N 408.958 5.746 0 40 HKAB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1 7375689 PWYXQRUHEXJWMA-JLHYYAGUSA-N 410.311 5.761 0 40 HKAB CCCC(=O)Nc1ccc2nc(SCc3ccc(Br)cc3)sc2c1 8438261 XPGNJFAETZVYSQ-UHFFFAOYSA-N 421.385 6.090 0 40 HKAB Cc1cc(NC(=O)c2ccccc2Cl)cc(-c2nc3cc(Cl)ccc3o2)c1O 9049467 CVKXJZVDQAVTQA-UHFFFAOYSA-N 413.260 6.068 0 40 HKAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc1O2 9135348 JJLDMEAESNWMIY-UHFFFAOYSA-N 416.521 5.532 0 40 HKAB O=C(Nc1c(C(=O)Nc2ccccc2)oc2ccccc12)c1ccccc1C(F)(F)F 9413618 FPFATQRNYMRSEC-UHFFFAOYSA-N 424.378 5.956 0 40 HKAB COc1ccc([C@@H]2CC(C)=NN2c2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1 9420412 NPMVZMNQKPMYCZ-IBGZPJMESA-N 413.930 5.808 0 40 HKAB CC(C)CSc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1 9424531 UEXLHBDDKSJAAY-UHFFFAOYSA-N 421.385 6.059 0 40 HKAB CCOc1ccc(-c2cc(OC(=O)c3ccccc3F)cc3sc(=O)oc23)cc1 9430724 SXLQUSQZBKQLDE-UHFFFAOYSA-N 410.422 5.279 0 40 HKAB Cc1c(C(=O)c2ccccc2)oc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc12 9659929 LVGOSNNYNMCELD-UHFFFAOYSA-N 411.501 6.522 0 40 HKAB biogenic Cc1nc(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)n(CC(C)C)c1C 9669402 GQLUPQUKDZDSNP-UHFFFAOYSA-N 424.595 5.413 0 40 HKAB O=C(CCCSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1cccs1 9950750 PWRNCOVPRVSMHZ-UHFFFAOYSA-N 420.563 5.205 0 40 HKAB Clc1ccccc1CNCc1ccc(OCc2ccccc2)c(Br)c1 10474111 CPZTWPDOIXATOJ-UHFFFAOYSA-N 416.746 5.971 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(Cl)cc2)OC3=O)c(C)c1 11689836 PDCYYCCFMXCNAF-QFIPXVFZSA-N 405.881 5.663 0 40 HKAB CC(C)Cc1ccc([C@@H](C)c2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)cc1 12391480 DSXKPDJVSBBBQG-QRWLVFNGSA-N 420.538 5.049 0 40 HKAB COc1ccc(-c2c/c(=N\c3ccc4c(c3)OCO4)c3ccccc3o2)cc1OC 12661617 SPLAFBZIGAEJSE-XIEYBQDHSA-N 401.418 5.078 0 40 HKAB biogenic Cc1nc(-c2nc(NCCCN3CCCCC3)ncc2-c2ccsc2)sc1C 12751500 RIOUFQBYWLTQNA-UHFFFAOYSA-N 413.616 5.233 0 40 HKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1cc(Cl)cc(Cl)c1 12888619 HRILSFPZJJCQCF-AATRIKPKSA-N 406.269 5.088 0 40 HKAB O=S(=O)(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1cccc(Cl)c1 13115523 ZOXAZNKNBUSNOQ-UHFFFAOYSA-N 416.911 5.543 0 40 HKAB CN(C)C(=O)Oc1cc(OCc2ccccc2)c2c(=O)cc(-c3ccccc3)oc2c1 13629603 UVWSBIVEGMCBSV-UHFFFAOYSA-N 415.445 5.099 0 40 HKAB biogenic Cc1cccc(C)c1O[C@H](C)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 13631180 YAAUZNKWXHUTQC-HXUWFJFHSA-N 416.521 5.281 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(Br)c1 14649608 PJXVHZOPOLXIGA-UHFFFAOYSA-N 414.702 5.557 0 40 HKAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1nnc(SCc2c(F)cccc2Cl)o1 16007284 LTTQXWUYJOIKRW-CQSZACIVSA-N 413.902 5.226 0 40 HKAB COc1ccc(-c2cc(O)nc(SCc3nc(-c4ccc(C)cc4)oc3C)n2)cc1 16840781 DCBNRYBJZPHASN-UHFFFAOYSA-N 419.506 5.422 0 40 HKAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 16849623 OMIBXVZPLVZPTK-QGZVFWFLSA-N 406.913 5.343 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4cccc(Cl)c4C)nccn3n2)cc1 17051654 BICDGLCOAYVSMR-UHFFFAOYSA-N 422.941 5.397 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(C(C)C)cc4)ccc3o2)c(C)c1 17088556 ARJJYOPFWNGJQL-RIYZIHGNSA-N 410.517 6.887 0 40 HKAB Cc1cc(-c2ccsc2)nc(C2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)n1 19118569 YJYAUSJJQOYROS-UHFFFAOYSA-N 415.921 5.326 0 40 HKAB Cc1sc(NC(=O)CCC2CCCCC2)nc1-c1ccc2c(c1)NC(=O)[C@@H](C)O2 19796588 HEOXSEATAUCJOR-CYBMUJFWSA-N 413.543 5.137 0 40 HKAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(CSc2ccccc2)cc1 20037735 AQWXNOMVNNEULM-UHFFFAOYSA-N 402.519 5.358 0 40 HKAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1C 21146957 GDZXUHXKDZIUJY-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB CC(C)[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1cccs1 21494757 SPGNUEITWKUQGI-XXBNENTESA-N 420.578 5.267 0 40 HKAB O=C(Nc1ccccc1Br)c1cccnc1Nc1cccc(Cl)c1 22072688 IZHNXPBEIUGXIV-UHFFFAOYSA-N 402.679 5.493 0 40 HKAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCc1cnn(-c2ccccc2)c1 23649418 METHFWBVDNEVTA-UHFFFAOYSA-N 419.912 5.377 0 40 HKAB Cc1ccc(-c2cc(-c3nnc(SCc4cccnc4)n3C)c3ccccc3n2)cc1 27778550 CVTYJVWWAOWXJP-UHFFFAOYSA-N 423.545 5.693 0 40 HKAB CC(C)C[C@@H](NC(=O)c1ccc(CN2CCCc3ccccc32)cc1)c1ccccc1 30873445 FCDHBAXTKARYRU-AREMUKBSSA-N 412.577 6.157 0 40 HKAB COc1cccc([C@H]2CC(O)=Nc3sc(C(=O)Nc4ccccc4C)c(C)c32)c1 32091247 LWIHOXOZMPQXJM-QGZVFWFLSA-N 406.507 5.749 0 40 HKAB O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1ccc(F)cc1F 32838803 KFTZIDMJTFLZTG-QFIPXVFZSA-N 400.352 5.069 0 40 HKAB O=C(CSc1nnc(Cc2ccc(Cl)cc2)o1)Nc1cccc2ccccc12 33655251 ZXKCYXAYIFZZEO-UHFFFAOYSA-N 409.898 5.198 0 40 HKAB CC[C@@H]1CCc2c(c(-c3cccc(F)c3)nc3c(-c4ccc(Cl)cc4)cnn23)C1 35325606 HHIJLQADIRCSDD-OAHLLOKOSA-N 405.904 6.371 0 40 HKAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2)c1cc(-c2ccccc2)on1 38677774 LPEJJOQMESNCRL-UHFFFAOYSA-N 423.472 5.187 0 40 HKAB CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(C=O)c(Cl)c1 38991383 OHOTZYGKYWARCT-UHFFFAOYSA-N 424.711 6.817 0 40 HKAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 44842264 RWOIAQBBMXJAKO-QGZVFWFLSA-N 423.534 5.402 0 40 HKAB Cc1nn(CN(C2CC2)[C@H]2CCCc3ccccc32)c(=S)n1Cc1ccccc1 58438103 WVNPOQJTHSIHSC-QHCPKHFHSA-N 404.583 5.270 0 40 HKAB COc1ccc(C2=N[C@@H](c3ccc(OC)c(OC)c3)N=C(c3ccccc3)S2)cc1 59488723 VEMIIWNCCUPFOG-QFIPXVFZSA-N 418.518 5.351 0 40 HKAB O=C(Nc1ccccc1Cl)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 77177519 HLYKDOUCHXZCDN-CYBMUJFWSA-N 416.909 5.409 0 40 HKAB Cc1cccc(OCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@@H]3[C@H]2c2ccco2)c1 95946750 UXJPRJBLCAUBBU-XMCPKVRDSA-N 416.477 5.383 0 40 HKAB CC[C@]1(C)C[C@@H]([C@H](CCN(Cc2ccccc2)C(C)=O)c2ccc(OC)cc2)CCO1 102807072 SJNCWJQRIMYGPD-WYMJOSIYSA-N 423.597 5.813 0 40 HKAB biogenic CCOc1cccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c1 106715676 SMJNIZNCVXGOOU-YVLHZVERSA-N 408.306 5.629 0 40 HKAB CC(C)Oc1cccc(CCCNC(=O)c2ccccc2CCc2ccccc2)c1 219004127 GVBLHLFUYOQWSQ-UHFFFAOYSA-N 401.550 5.622 0 40 HKAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1)c1ccccc1 224523263 FJMYFMUQUOAYRK-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1cc(C)cc(C)c1C 224608240 OWNWNQSBNRMYTB-UHFFFAOYSA-N 417.549 6.459 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COCc1ccccc1 224747530 CNYJWMQHKHGBIX-UHFFFAOYSA-N 409.913 6.016 0 40 HKAB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 225349768 VSQLWFGURLXKFR-PKTZIBPZSA-N 420.582 5.428 0 40 HKAB CCOc1cccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)c1 225862552 HOYMFRUVHVGDCZ-UHFFFAOYSA-N 402.991 5.971 0 40 HKAB O=C(Nc1sc2c(c1-c1nnc(-c3ccccc3)o1)CCCC2)c1ccccc1 257173525 PRCREUWPCUWYDC-UHFFFAOYSA-N 401.491 5.596 0 40 HKAB O=C1CS[C@H](c2ccc(OCc3ccccc3F)cc2)N1c1ccc(Cl)cc1 408555424 FYAMXZYMXANEFD-JOCHJYFZSA-N 413.901 5.837 0 40 HKAB COc1cc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)ccc1C 408812601 PCLQLAGOCCAFFK-XSXPQHRMSA-N 421.586 6.058 0 40 HKAB O=C(CCC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1 408827232 KMWXFGLNDGIEHX-UHFFFAOYSA-N 413.395 6.099 0 40 HKAB CCOC(=O)c1ccc(COC(=O)c2ccc(COc3cccc(C)c3)cc2)cc1 409174326 SAOUYIMIDLQEGR-UHFFFAOYSA-N 404.462 5.108 0 40 HKAB O=C1S/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)N1Cc1ccc(Cl)cc1 409243828 UWEVZSPADWNIFM-YBFXNURJSA-N 413.857 5.976 0 40 HKAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1ccc(Br)cc1 972645 PXLRWGAOCAVSIB-UHFFFAOYSA-N 410.333 5.138 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Br)cc1 1264158 UAUBIBVHDPOMNZ-FARCUNLSSA-N 401.087 5.416 0 40 HKAB Clc1ccc(-c2nc(Nc3ccc(Oc4ccccc4)cc3)c3ccccc3n2)cc1 1912250 VKLMWXASUNVKHV-UHFFFAOYSA-N 423.903 7.486 0 40 HKAB c1ccc(-c2cc3c(n2C2CCCCCC2)[C@@H](c2ccccc2)Oc2ccccc2-3)cc1 2060399 FRJGBPCFRDIYET-SSEXGKCCSA-N 419.568 8.199 0 40 HKAB O=C(Nc1ccccc1Cl)c1cccc(COc2cc(Cl)ccc2Cl)c1 2105552 ZHAUBSRFBRLBJB-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)CSC1=NCCS1 2266549 YLZFDDXCXXQVTH-UHFFFAOYSA-N 424.663 5.624 0 40 HKAB aggregator Cc1ccc(-c2csc3ncnc(SCc4ccc(Cl)c(Cl)c4)c23)cc1 2351840 SHQLQCWETSRVLA-UHFFFAOYSA-N 417.386 7.266 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)COc1ccccc1-2 2642850 NAAOTYQFRUSNFE-UHFFFAOYSA-N 400.887 5.152 0 40 HKAB Clc1cc(Br)ccc1Oc1ncnc2sc(-c3ccccc3)cc12 2645597 DEFNLFGHYNCMJL-UHFFFAOYSA-N 417.715 6.567 0 40 HKAB O=C(Nc1ccccc1OC(F)F)c1oc2ccccc2c1COc1ccccc1 2656937 VIJOXXARTLZMMS-UHFFFAOYSA-N 409.388 5.866 0 40 HKAB COc1cc2c(cc1NC(=O)CSc1nc3ccccc3s1)oc1ccccc12 2739563 REIHKLVDPPGTAS-UHFFFAOYSA-N 420.515 5.935 0 40 HKAB Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 3059167 GANMBEAFEKBBNY-FQEVSTJZSA-N 410.344 6.555 0 40 HKAB Clc1cccc(Cl)c1CSc1nc(Cc2ccccc2)nc2ccccc12 3063719 IELSXRNHBKXWDX-UHFFFAOYSA-N 411.357 6.820 0 40 HKAB Cc1cc(C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c(C)c1 3171068 WGGGIMAJEGICBH-UHFFFAOYSA-N 424.551 5.161 0 40 HKAB O=c1oc2cc(O)ccc2cc1-c1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 3177589 KQMZSIIFGSINMK-UHFFFAOYSA-N 409.466 5.860 0 40 HKAB O=C(CN1CCC(Cc2ccccc2)CC1)Nc1c(Cl)cc(Cl)cc1Cl 3372489 APLZIACMEDRDMA-UHFFFAOYSA-N 411.760 5.540 0 40 HKAB CCOC(=O)c1cnc(-c2ccccc2)nc1Sc1ccc(Cl)cc1Cl 4042424 YOBBCAXRIDECBZ-UHFFFAOYSA-N 405.306 5.778 0 40 HKAB O=C1c2ccccc2[C@H]2c3[nH]c4ccccc4c3[C@@H](c3c(F)cccc3Cl)CN12 4085144 QEWBYTGHNMAEMD-HJPURHCSSA-N 402.856 5.651 0 40 HKAB biogenic CCC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 4280307 OAQLKYHDJXVXTR-QFIPXVFZSA-N 410.477 5.220 0 40 HKAB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(C)cc1 4786788 ZPQXLAJIYAOLKV-DEOSSOPVSA-N 424.504 5.281 0 40 HKAB OC1=Nc2c(cnn2C2CCCCC2)[C@H](c2ccc(Br)cc2)SC1 5501358 RYAHVEFNYPFSQZ-KRWDZBQOSA-N 406.349 5.575 0 40 HKAB O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1cc(Cl)cc(Cl)c1 5523855 LXMBVRYFRKPWSK-UHFFFAOYSA-N 405.278 6.170 0 40 HKAB Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 5603167 KPQJBAGUKHGXBF-RDPSFJRHSA-N 418.880 5.354 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)COc4ccccc4Cl)c3)oc2c1 6450436 WKWBPEGJIVQITK-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB O=C(CSc1ccc2ccccc2n1)N[C@@H](c1ccc(F)cc1)c1cccs1 7200049 MRRFPAHWVGUOSW-QFIPXVFZSA-N 408.523 5.433 0 40 HKAB O=C(CSc1nc2ccccc2o1)N1CCc2sccc2[C@@H]1c1cccs1 7947805 QAGZBYOGOQTSTH-LJQANCHMSA-N 412.561 5.217 0 40 HKAB COc1ccc(-c2n[nH]c(S[C@@H](C(=O)c3ccccc3)c3ccccc3)n2)cc1 8344367 QMXGMMZGIOXYGU-OAQYLSRUSA-N 401.491 5.197 0 40 HKAB CC(=O)O[C@@H]1CC[C@H]2[C@H]3CCC4=Cc5n[nH]c(C(F)(F)F)c5C[C@@]4(C)[C@@H]3CC[C@@]21C 8615170 RMQCASHVRADDSY-STAGHVTPSA-N 422.491 5.542 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc1 8769602 JJQIMHRXIIBNCA-UHFFFAOYSA-N 401.919 5.320 0 40 HKAB COc1ccc(Cl)cc1NC(=O)Cc1csc(SCc2ccc(F)cc2)n1 8854151 URPDTPBOKGMPSJ-UHFFFAOYSA-N 422.934 5.418 0 40 HKAB CCCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1 9139520 ILOODABDVVMEEP-UHFFFAOYSA-N 400.935 5.048 0 40 HKAB Cc1cccc(OCC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1 10235678 QJBSTNGDRMIHRC-UHFFFAOYSA-N 400.931 5.043 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)ccc1Cl 11914706 ZCFUNHKFUKIFHB-HNNXBMFYSA-N 406.869 5.863 0 40 HKAB COc1ccc(-c2csc(-c3nnn(-c4ccc(C)c(C)c4)c3C)n2)cc1OC 12415589 BOIUUBDCBSNSFB-UHFFFAOYSA-N 406.511 5.000 0 40 HKAB O=C(COc1cnc2ccccc2n1)Nc1ccccc1Sc1ccc(Cl)cc1 12531793 XXZNJTHDZNFUAJ-UHFFFAOYSA-N 421.909 5.452 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)COc2cc(C)cc(C)c2)c2ccccc2)c1 12690054 ZHICQRLDWJSJRQ-RUZDIDTESA-N 417.505 5.222 0 40 HKAB CCc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)cs2)cc1 12998297 KQCZPVQDSZKRRJ-UHFFFAOYSA-N 421.566 5.008 0 40 HKAB C[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 13709809 OUZPMUCJCNBCLF-LBPRGKRZSA-N 418.773 5.464 0 40 HKAB CCOc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN21 13768806 ICYIZDDLCQIKNC-CJFMBICVSA-N 414.461 5.056 0 40 HKAB Cc1ccc(C(=O)[C@@H](C)Sc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1C 13988016 YEXOHQBCSPSBEB-CYBMUJFWSA-N 421.012 6.297 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](Sc1ccc(Cl)nn1)c1ccccc1 14147052 UNBJNEUMQRXAPQ-KRWDZBQOSA-N 424.740 5.909 0 40 HKAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 14386342 MHTNBDZFADWIED-UHFFFAOYSA-N 405.294 5.138 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc(NC(=O)COc2ccccc2C(C)C)cc1 14552559 OHPZJGBUZPMVBI-UHFFFAOYSA-N 402.494 5.388 0 40 HKAB O=C1C[C@H](c2cccc(F)c2F)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15082327 IZBYTNYQJFQUNN-GFCCVEGCSA-N 403.381 5.005 0 40 HKAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(Cl)c(C(F)(F)F)c1 15583713 IVVSPWXOJLQDCU-UHFFFAOYSA-N 413.758 5.119 0 40 HKAB Cc1ccc(-c2nc(CNC(=O)COc3cc(C)c(Cl)c(C)c3)cs2)cc1 15832554 GRWWGGCXJNZIFD-UHFFFAOYSA-N 400.931 5.084 0 40 HKAB Cc1cc(C)cc(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)c1 15881560 JTTXFKGHMGHOGR-UHFFFAOYSA-N 402.498 5.145 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc(-c4ccccc4)cs3)o2)cc1Cl 16346833 RGKSTCQCCCGNKE-ZRDIBKRKSA-N 420.921 6.684 0 40 HKAB Clc1ccc(COc2ccc(CNCc3ccccc3Cl)cc2)c(Cl)c1 16449743 RVJTXEJVJMVEMH-UHFFFAOYSA-N 406.740 6.516 0 40 HKAB COc1ccc(/C(Cl)=C(\c2ccc(O)cc2)c2ccc(OCCN(C)C)cc2)cc1 16957874 BJMAARQGPMBAAP-IZHYLOQSSA-N 423.940 5.497 0 40 HKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1ccc(F)cc1 21005530 WIJWMFXLPJIJFX-QHCPKHFHSA-N 413.452 5.165 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)COc4cc(C)cc(C)c4)ccc3o2)c1 21579462 HKYSUBATJTVORA-UHFFFAOYSA-N 402.450 5.138 0 40 HKAB COc1ccc(-c2nc(C(=O)N(Cc3ccco3)Cc3cccs3)cs2)cc1 24176395 JREICIYGTVMOBW-UHFFFAOYSA-N 410.520 5.316 0 40 HKAB Cc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1NC(=O)c1ccco1 24459108 JMLAIEHCYXWFKP-UHFFFAOYSA-N 420.490 5.337 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)sc2c1CCCC2 27582611 BSBGBBXOCVFJGV-UHFFFAOYSA-N 424.522 5.328 0 40 HKAB C[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 28293676 XVRGLGWJTAAVDC-CQSZACIVSA-N 402.828 5.014 0 40 HKAB COc1cccc(Nc2nc(NC3CCCCC3)nc3c2cnn3-c2ccccc2)c1 28406152 OQRFVHJBYMDKHQ-UHFFFAOYSA-N 414.513 5.312 0 40 HKAB CC(C)C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)c1ccccc1 30756170 MNASHNCXEZRMOX-HSZRJFAPSA-N 422.550 5.005 0 40 HKAB COc1cccc([C@H]2CC(O)=Nc3c(-c4ccc(Cl)cc4)nsc32)c1OC 32091707 RAIYZXGGAFCVEV-CQSZACIVSA-N 400.887 5.604 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)c3cccc(CN4CCCC4=O)c3)ccc21 32768089 AJQGRJMIPLXPGQ-UHFFFAOYSA-N 411.505 5.189 0 40 HKAB CN(C(=O)c1cc(Br)c(Br)s1)[C@H]1CCc2ccccc21 32905269 KTLLXGVJOSVILD-LBPRGKRZSA-N 415.150 5.033 0 40 HKAB Cc1nccn1Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 38860865 FSNVJRGUWIAQNS-UHFFFAOYSA-N 417.896 5.938 0 40 HKAB Cc1ccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)no2)cc1 40488356 SXHJXKZRBTZTLA-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB Clc1ccc([C@H](Cn2ccnc2)OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 44136499 SZRYZAYGHYHAFH-SFHVURJKSA-N 416.135 6.455 0 40 HKAB in-vitro Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1C 44856364 IPCJBMAZHASMDU-KRWDZBQOSA-N 419.396 5.700 0 40 HKAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1cccc(Cl)c1 72270802 AFXATBZALFWSGZ-UHFFFAOYSA-N 405.285 5.486 0 40 HKAB CCc1noc(-c2ccc(NC(=O)c3cc(F)c(Cl)cc3Cl)c(Cl)c2)n1 96011740 CILKARRMERPBOL-UHFFFAOYSA-N 414.651 5.651 0 40 HKAB CC(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 96031660 IOWMKBFJCNLRTC-JURGKQBESA-N 402.663 6.360 0 40 HKAB COc1cc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc(OC)c1OC 100424231 NKDSKRDPELATML-QFIPXVFZSA-N 408.498 5.584 0 40 HKAB CCCOC(=O)c1ccc2nc(C)c(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c(O)c2c1 101185792 DDZVLVSXWAYALD-AVRWGWEMSA-N 410.558 5.216 0 40 HKAB O=C1[C@H]2C=CC=C[C@@H]2N=C(SCc2cccc3ccccc23)N1Cc1ccccc1 103672125 IAWGRQUAYAPHRS-ZEQRLZLVSA-N 410.542 5.582 0 40 HKAB O=C(CSCc1ccc(Br)cc1)Nc1cccc(Br)c1 108075279 LGHNENPWRRZDMI-UHFFFAOYSA-N 415.150 5.084 0 40 HKAB C[C@H](CCc1ccccc1)NC(=O)COc1ccc(C(C)(C)C)cc1Br 218881940 YEPCJXKDSGQHLO-MRXNPFEDSA-N 418.375 5.263 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Br)cc1F 223019484 ZMFRARAAPFTIFU-INIZCTEOSA-N 400.675 5.346 0 40 HKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CC1 223375151 CKLYRWMLFRGDBJ-PKTZIBPZSA-N 402.567 5.008 0 40 HKAB CCC1(CC)C[C@H](NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c2ccccc2O1 223650038 NMZLCGJICMEQCF-BEFAXECRSA-N 403.975 6.019 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccc(C)cc1C 224117523 BUKZNUSJRKDAML-LEYFIJQKSA-N 418.562 5.403 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 224219355 FTMUMXSFMLCYAK-PKTZIBPZSA-N 402.567 5.484 0 40 HKAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccccc1C(C)C 224234350 BQCPXCGKVJRPET-UHFFFAOYSA-N 415.533 5.596 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1ccc(Cl)cc1 224500731 JMTNDIWAKFPKKN-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB C[C@@H](CNC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 224542879 IEXZGCYDDNOYMK-INIZCTEOSA-N 405.369 5.125 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1c(Cl)cccc1Cl 225361285 ZMJBQPZCFLZSGF-SFHVURJKSA-N 408.325 5.353 0 40 HKAB CCCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C 225864202 BZOQBGUREJQVFH-UHFFFAOYSA-N 421.368 6.326 0 40 HKAB Cc1cc(NC(=S)NC2(c3ccccc3C)CCCC2)ccc1N1CCCC1=O 225869424 ZYLCOEHOJXXGJA-UHFFFAOYSA-N 407.583 5.186 0 40 HKAB Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)cc2)cc1 260778094 QZBUKWUQEYPNKL-MQNAVGNWSA-N 417.603 6.131 0 40 HKAB CCc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(CC)c1-c1ccc(Cl)cc1 408561791 LJBDRPJJBAQSTB-ATJXCDBQSA-N 405.350 5.847 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(Cl)c1N1CCOCC1 408573884 PVOSDVYVUCNIFV-ZRDIBKRKSA-N 408.885 5.089 0 40 HKAB CCOc1cc(CNc2cccc(C(=O)O)c2)ccc1OCc1ccccc1Cl 408603785 CTKNTEKXIKBPJZ-UHFFFAOYSA-N 411.885 5.628 0 40 HKAB COc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1cccc2ccccc12 408611594 UEPIMFSVQVILRA-UHFFFAOYSA-N 421.899 6.832 0 40 HKAB CC(C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O 409022517 QZRYHZBSKWBAOS-GIJQJNRQSA-N 422.333 6.017 0 40 HKAB CCOc1ccc(C2=N/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C(=O)O2)cc1 409073159 PFKAMIJWPSKGQN-HZHRSRAPSA-N 417.436 5.148 0 40 HKAB COc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1 409109898 NPXSTLUPEYPZNI-UHFFFAOYSA-N 411.501 6.679 0 40 HKAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409178897 JOFDVWPERICCAS-UHFFFAOYSA-N 417.578 5.762 0 40 HKAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)C2=O)c1 409240713 UYXWMXNOXSSYBE-UDWIEESQSA-N 406.869 5.310 0 40 HKAB COc1cc(C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OC 409372880 PLCDEVVTJVJOKF-UHFFFAOYSA-N 405.075 5.025 0 40 HKAB CC(C)=CCC[C@@]1(C)Oc2cc(-c3cccc(C(=O)O)c3)ccc2[C@@H]2OCCC[C@H]21 585265876 UOYULHPOXQERDK-KTIWRFAQSA-N 406.522 6.417 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)c1 585655882 KUKOEMQJQVZBOI-UHFFFAOYSA-N 424.382 6.478 0 40 HKAB Nc1c(C(=O)Nc2c(Cl)cccc2Cl)sc2nc(-c3ccncc3)ccc12 804061 CKLRRAVUCLWYDU-UHFFFAOYSA-N 415.305 5.500 0 40 HKAB COc1cc(NC(=O)c2ccc(C)cc2C)ccc1NC(=O)c1cc2ccccc2o1 806933 NMIYHGKZUGTIJZ-UHFFFAOYSA-N 414.461 5.563 0 40 HKAB CCCCc1ccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)c(Cl)c2)cc1 1911459 JCXJUUMZJYRONP-XYOKQWHBSA-N 406.309 5.531 0 40 HKAB CCN(CC)c1ccc2cc(-c3nc(-c4ccc(C)cc4C)cs3)c(=O)oc2c1 2207018 SFJURDMOZDBXEO-UHFFFAOYSA-N 404.535 6.047 0 40 HKAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SCCc4ccccc4)c23)CO1 2229231 UVOROXLTBLZOJJ-NRFANRHFSA-N 416.637 5.989 0 40 HKAB CCCCc1nc2sc3c(N(CCCC)CCCC)ncnc3c2c2c1CCC2 2348144 QVJZRYXXKAWKAE-UHFFFAOYSA-N 410.631 6.477 0 40 HKAB O=C(N[C@@H](C(=O)O)c1ccc(Cl)cc1)OCC1c2ccccc2-c2ccccc21 2509854 QHPCQNPEZKEZGX-OAQYLSRUSA-N 407.853 5.004 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1Nc1nc2ccccc2nc1Cl 2634426 DVVSDAJIKBSMIB-UHFFFAOYSA-N 409.898 5.932 0 40 HKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 2748295 HOSZHCVOPWHUHI-MSOLQXFVSA-N 409.482 5.473 0 40 HKAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccc(OC(F)F)cc1 3240175 MHJNOZSSUINUKG-UHFFFAOYSA-N 408.828 5.179 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](N[C@H]1CCCc2ccccc21)c1ccccc1 3351657 LFKBKQKEYPIDKA-DHLKQENFSA-N 400.522 5.432 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 3363053 AJCOJNIDPWQPOB-SKDZVZGDSA-N 401.330 5.083 0 40 HKAB CCCCCC1CCC(c2nnc(SCC(=O)c3ccc(Cl)cc3)o2)CC1 4036531 RYECXDWXNVXXHM-UHFFFAOYSA-N 406.979 6.552 0 40 HKAB CCCCCCc1cc2cc(-c3nnc(-c4cccc(OC)c4)o3)c(=O)oc2cc1O 4903751 WWZOBBKMEWHUFL-UHFFFAOYSA-N 420.465 5.347 0 40 HKAB O=C(CSc1nnc(-c2cccs2)c(-c2cccs2)n1)c1cccs1 5059576 FPTPFDPZRADMHS-UHFFFAOYSA-N 401.563 5.365 0 40 HKAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)[C@@H]1CC=CC[C@@H]1Cc1ccccc1 5092417 GWDLTEAUVXFACD-RTBURBONSA-N 402.494 5.027 0 40 HKAB Clc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1ccccc1)O2 5216205 IIBBTTLBJOBAGV-CVDCTZTESA-N 404.853 5.311 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CN1c1ccccc1F 5235913 XGUJBBIUYSQHJV-IBGZPJMESA-N 405.517 5.666 0 40 HKAB COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1 5483885 GXSPPPAQKCSJCP-UHFFFAOYSA-N 401.462 5.919 0 40 HKAB biogenic CCCCCOc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3[C@@H](C)CCC)cc1 6066497 WPSBKVYQGQAQNI-YWZLYKJASA-N 417.575 5.531 0 40 HKAB COc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 6256188 ZLWFKYGRYGXWGS-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB CC(=O)Nc1ccc(Oc2cc(-c3ccccc3)c3cc4c(cc3n2)OCCO4)cc1 7160057 YESVKLOSBCNQOG-UHFFFAOYSA-N 412.445 5.424 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(=O)c2cc(Cl)ccc2o1 8136517 DYPDHUHCVBEKBZ-UHFFFAOYSA-N 402.155 5.371 0 40 HKAB CCC[C@@H](NC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1 8189096 VQUDCUFYSLKRGD-HNAYVOBHSA-N 420.538 5.356 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)c(Cl)c1 8302026 MNDGABJZLMEXRS-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 9190299 FABXJFDTDAHBOI-UHFFFAOYSA-N 406.869 5.944 0 40 HKAB Fc1ccc(-c2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)cs2)cc1 9477378 SQTIQRRMIBZPCI-UHFFFAOYSA-N 422.554 5.759 0 40 HKAB COc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1 9660162 XBKGTLHNTKDLKR-UHFFFAOYSA-N 405.837 5.374 0 40 HKAB biogenic O=C(O)Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(Cc2ccccc2)cc1 13892724 DFHPFXNSNVCSRG-UHFFFAOYSA-N 419.933 6.348 0 40 HKAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 13946051 BTLKPKDRZCXAMG-UHFFFAOYSA-N 416.590 6.817 0 40 HKAB COc1cc2ccccc2cc1C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 14636138 RXOKRAZZWYEGFA-XMMPIXPASA-N 405.494 5.137 0 40 HKAB Fc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2cc(Cl)ccc2Cl)cc1 16401256 KFXMKTPUXYHZHD-FQEVSTJZSA-N 419.714 7.142 0 40 HKAB COc1ccccc1-n1c(-c2ccc(Cl)cc2)cs/c1=N\C(=O)c1ccccc1 16711517 NBLOLHUYUXNATI-BZZOAKBMSA-N 420.921 5.609 0 40 HKAB Cc1ccn2cc(C(=O)N3CCC[C@@H]3c3cc(-c4ccc(F)cc4)cc(C)n3)nc2c1 19691258 STXLWPNHEKLRHU-HSZRJFAPSA-N 414.484 5.130 0 40 HKAB C[C@H]1[C@H](c2cccc3ccccc23)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 20388394 ONLWOWZCJPRUQU-RBWOYHBQSA-N 401.506 5.541 0 40 HKAB COc1cccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccc(Cl)cc4)nc32)c1 21801279 CXOGUXSAGKZDKW-UHFFFAOYSA-N 403.873 5.014 0 40 HKAB O=C(c1ccccc1C(F)(F)F)N1CCN(C(c2ccccc2)c2ccccc2)CC1 23331061 GFQCLOKCWFOQJO-UHFFFAOYSA-N 424.466 5.253 0 40 HKAB COc1cc2c(cc1NC(=O)Cc1csc(-c3ccco3)n1)oc1ccccc12 24428709 UVMHNSZSIMIZQU-UHFFFAOYSA-N 404.447 5.492 0 40 HKAB Cc1c(Cl)cccc1N(CC(=O)N(C)c1ccccc1)c1nc2ccccc2s1 25390344 MYPYTPQKCNDBJK-UHFFFAOYSA-N 421.953 6.059 0 40 HKAB CCOc1ccc(N(Cc2cccs2)C(=O)c2ccc(Br)cc2)cc1 27664104 XMHDMFBPFPSUMX-UHFFFAOYSA-N 416.340 5.756 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220391 HRYVSDWFCQECLV-HSZRJFAPSA-N 418.968 5.458 0 40 HKAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccccc1Oc1ccccc1Cl 30061054 KDTGVROQZICLLJ-UHFFFAOYSA-N 415.898 5.097 0 40 HKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)C1 30945657 SFGLOQFBRJVOQI-ZDUSSCGKSA-N 411.760 6.131 0 40 HKAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1cccc(COc2cccc(F)c2)c1 31397248 BJYVJXLSWIFHRV-UHFFFAOYSA-N 423.469 5.088 0 40 HKAB CN(C(=O)COc1ccccc1)[C@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12 32593867 JOOTVNKGYJNIAU-XMMPIXPASA-N 404.897 5.448 0 40 HKAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)c(F)c3)c12 36613565 KDQNKMFBWNRUOR-UHFFFAOYSA-N 418.447 5.196 0 40 HKAB O=C(Nc1ccc(OC2CCCC2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 44917059 AOGFYBYDQNIODI-IBGZPJMESA-N 412.961 5.512 0 40 HKAB COc1ccc([C@H](NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)C2CC2)cc1 48286030 WTSMIKNEUDMQCN-JOCHJYFZSA-N 406.530 5.025 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3nc(SCc4ccc(Cl)cc4)sc3c2)cc1 59854764 KGHGFZBOZSKDHL-UHFFFAOYSA-N 424.978 6.803 0 40 HKAB COc1ccc(Cn2c(SCc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 67258842 QOBCYBVHEAHIHM-UHFFFAOYSA-N 422.937 5.399 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1cccc(Cl)c1 67294538 JDNPQTDBRLTICV-ROMGYVFFSA-N 409.272 6.224 0 40 HKAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1Cc1ccccc1)C1CCCC1 72215612 JQIZWDGEGSDSFA-HSZRJFAPSA-N 421.585 6.103 0 40 HKAB Cc1ccc(OCC(=O)Oc2cc(-c3ccc(C)cc3)c3oc(=O)sc3c2)cc1 80343704 YCDCSQDWRYZKCZ-UHFFFAOYSA-N 406.459 5.123 0 40 HKAB CCc1cc(=O)c2cc(NC(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3Cl)ccc2[nH]1 95465577 YRCYWRARVHBICE-CABCVRRESA-N 401.293 5.140 0 40 HKAB O=C([C@H]1C[C@H]1c1cccc(C(F)(F)F)c1)N1CC=C(c2cncc3ccccc23)CC1 96012074 DALHKKQAXVEROW-VXKWHMMOSA-N 422.450 5.673 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102882077 WYKCPTMHVKSUMX-VDQHWBOFSA-N 402.254 5.378 0 40 HKAB COc1cc(OC)cc(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 218892890 DJTSXFMDVGAGMM-UHFFFAOYSA-N 421.537 5.189 0 40 HKAB COc1ccc(CCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 218989522 IQXVMNPYFRRWMT-UHFFFAOYSA-N 409.913 5.290 0 40 HKAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cccc(OCc2ccccc2Cl)c1 219846011 VZTZULWPCCBXBD-UHFFFAOYSA-N 420.896 5.298 0 40 HKAB Cc1ccc(OC[C@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 219846677 VTAQPVFLWJYIPL-SFHVURJKSA-N 409.913 5.425 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccccc1C(C)C 224564402 TULZIXVKLCPXGT-UHFFFAOYSA-N 417.549 6.657 0 40 HKAB Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4Oc4ccccc4)cc3)nc2c1 225264183 OSUIKTZEARVBHX-UHFFFAOYSA-N 419.484 6.583 0 40 HKAB CC(C)Oc1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 408576451 UWZWJZLLJNURJF-UHFFFAOYSA-N 411.954 6.672 0 40 HKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2ccccc2)CC1 408972501 UOSDWXKINABWST-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccccc1)c1ccccc1 409110800 GTUOMEMPDYFBMF-ZWKOTPCHSA-N 404.535 5.297 0 40 HKAB Clc1ccc(CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(Cl)c1 409115360 IUPUXNLFHWYIIT-UHFFFAOYSA-N 423.368 7.410 0 40 HKAB Cc1ccc(COc2c(Cl)cc(CNc3cc(C)ccc3C)cc2Cl)cc1 409128301 FEAUCNRFZLXHSD-UHFFFAOYSA-N 400.349 7.110 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@@H](c2ccccc2)N3)c(C)c1 409137203 UOXDFZFLDYZYBJ-VAOGHPRRSA-N 422.572 6.852 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3cccc4ccccc34)cc2)cc1 409178684 MRMQNCAFUYOKAI-UHFFFAOYSA-N 423.468 5.440 0 40 HKAB COc1ccccc1OCc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 409183267 TWFNGVMOHGCKAO-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB CC(=O)N1CCCCCCN(C2CCN(Cc3ccccc3)CC2)Cc2ccccc21 643563031 FOEIMTWIRZVWTM-UHFFFAOYSA-N 419.613 5.080 0 40 HKAB Cc1oc2cc(OC(=O)C(C)(C)C)ccc2c(=O)c1-c1ccc(Br)cc1 1097528 XFNWGLMCRWGMKS-UHFFFAOYSA-N 415.283 5.482 0 40 HKAB biogenic COc1ccc([C@H](OC(=O)c2ccccc2Cl)c2nccc3ccccc23)cc1 1448900 BLDWOSLRHNFAMA-QHCPKHFHSA-N 403.865 5.843 0 40 HKAB CC(C)=C[C@@H]1[C@@H](C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)C1(C)C 1664936 RSZXHSOZHNQRLF-SFYZADRCSA-N 416.559 7.097 0 40 HKAB Clc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5)CC4)c23)cc1 1781851 FWPLXDCPKQVZKI-UHFFFAOYSA-N 406.942 5.338 0 40 HKAB O=c1oc2cc3occ(-c4ccc(-c5ccccc5)cc4)c3cc2c2c1CCCCC2 2092281 IVKAAZPYRUSPJB-UHFFFAOYSA-N 406.481 7.142 0 40 HKAB biogenic COc1ccc(CNCC[C@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1 2099476 YJHFNULWAQEHJY-HHHXNRCGSA-N 403.566 6.103 0 40 HKAB biogenic CCOc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2ccccc2)cc1 2128540 LEWDKJVSXSTBTB-UHFFFAOYSA-N 405.498 5.764 0 40 HKAB CCOc1nnc(-c2ccccc2)c2c(-c3ccccc3)n(-c3cccc(OC)c3)nc12 2181194 JPWSAUVNLIYTJD-UHFFFAOYSA-N 422.488 5.557 0 40 HKAB CCSc1nc(SCc2ccccc2)nc2sc3c(c12)CC(C)(C)OC3 2195352 QQORSEBZGXUAKG-UHFFFAOYSA-N 402.610 5.947 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 2503030 MSWAABXNNVSKQT-UHFFFAOYSA-N 415.902 5.167 0 40 HKAB Fc1ccc(Oc2nc3ccccc3cc2-c2cccc(C(F)(F)F)c2)c(F)c1 3050354 QPQBZJYEJXABFR-UHFFFAOYSA-N 401.334 6.991 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1 3069919 XOGZMYFCUQVKBZ-UHFFFAOYSA-N 408.672 5.850 0 40 HKAB O=C(CSc1cccc[n+]1[O-])c1ccc(Oc2ccc(Cl)cc2)cc1Cl 3118901 NKHVNZHAHWAZRC-UHFFFAOYSA-N 406.290 5.394 0 40 HKAB CN(C)c1cccc(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)c1 3212486 UNONIECOOKSLIT-UHFFFAOYSA-N 402.434 6.470 0 40 HKAB Cc1ccc(-c2nc(NC(=O)c3ccc(Cl)s3)sc2-c2ccccc2)cc1 3215561 FBJDTAYAOOJINO-UHFFFAOYSA-N 410.951 6.753 0 40 HKAB Cc1sc2ncnc(SCCCC(=O)c3ccc(Br)cc3)c2c1C 3283157 JNOJLZUPMJXWFC-UHFFFAOYSA-N 421.385 5.826 0 40 HKAB Fc1ccc(OCCSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 3321552 AKFOADNKLVJAJH-UHFFFAOYSA-N 403.482 5.516 0 40 HKAB FC(F)(F)c1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cc1 4050242 CKQUSLZVDMAEQI-UHFFFAOYSA-N 405.228 6.355 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1OCC 4062995 SWNRWLUNARRRAZ-UHFFFAOYSA-N 419.506 5.408 0 40 HKAB CC(=O)[C@@]12CCCC[C@@H]1C[C@@H]1[C@@H]3C[C@H](C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 4074016 PATZWJFBWJISFP-MYNXCQRESA-N 402.619 5.126 0 40 HKAB biogenic Cc1cc(C)cc(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)c1 4200735 XYJZBLMRZXUENC-UHFFFAOYSA-N 409.536 5.084 0 40 HKAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=S)NC(=O)c1ccccc1 4663598 OYWYRGAQOYUSAP-AREMUKBSSA-N 414.574 5.696 0 40 HKAB CCc1cc2ccc(C)c(C)c2nc1SCC(=O)Nc1ccc(OC)c(OC)c1 4849427 MAMOBNOYMFOWNU-UHFFFAOYSA-N 410.539 5.162 0 40 HKAB CCc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3Cl)s2)cc1 4895365 OBDVMNSFVCUXIA-UHFFFAOYSA-N 404.948 5.228 0 40 HKAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1Cl 5032990 OUZVVRIXOLAXSU-IQGLISFBSA-N 402.258 5.081 0 40 HKAB Cc1nc(S[C@H](C)C(=O)Nc2ccccc2F)c2c3c(sc2n1)CCCC3 5212797 MHEMNZGJEQBKFC-LLVKDONJSA-N 401.532 5.137 0 40 HKAB Cc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3cc(C(F)(F)F)ccc3Cl)nc2c1 5356375 GGUZLQAARUXOQU-JTQLQIEISA-N 413.852 5.663 0 40 HKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c1 5478709 UTKRCKBIALYLSD-UHFFFAOYSA-N 408.571 5.127 0 40 HKAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 5689513 RFDXPRHVPQFYOA-INIZCTEOSA-N 408.954 5.881 0 40 HKAB CCCCn1c(O)c(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2ccccc21 5737735 CNTPLUHPZSOWAU-UHFFFAOYSA-N 405.281 5.066 0 40 HKAB Cc1cc(C)c(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)cc1C 6060087 LSDVXLMMFPZHFK-UHFFFAOYSA-N 416.344 5.134 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2N=C(C(F)(F)F)C[C@]2(O)c2ccc(Cl)cc2)cc1 6075353 KHNSFHCKKKQVOK-FQEVSTJZSA-N 424.850 5.247 0 40 HKAB O=C(COc1cccc2ccccc12)Nc1nc(-c2cccc3ccccc23)cs1 6238052 VHKYNOHTVRVHAS-UHFFFAOYSA-N 410.498 6.134 0 40 HKAB CC(C)Oc1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c2ccccc12 7342907 WPOGSZJNPDKIJG-BKUYFWCQSA-N 404.491 5.721 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1ccc(Cl)cc1 7544588 NALZZBKUQAZNFN-IBGZPJMESA-N 415.924 5.453 0 40 HKAB Cc1ccc(N(C(=O)CCCc2cccs2)c2nc3ccccc3s2)cc1F 7987317 MRRSKOGMTVPKJY-UHFFFAOYSA-N 410.539 6.493 0 40 HKAB CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 8131971 LTWWETDWNTZTNF-QFIPXVFZSA-N 418.493 5.216 0 40 HKAB Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3c4c(nc5ccccc35)CCCC4)o2)cc1 8288285 GAADLWYRFCQQHV-MRXNPFEDSA-N 413.477 5.390 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(C3CC3)n2C2CC2)c2ccccc2)c1 8328655 CFCRYEHEKSNNQS-NRFANRHFSA-N 418.566 5.579 0 40 HKAB COCc1c(C(=O)Nc2nnc(-c3ccc(C(C)C)cc3)s2)oc2ccccc12 8389729 LLWAPWBZZMEGNH-UHFFFAOYSA-N 407.495 5.473 0 40 HKAB CC(C)Oc1ccc(C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 8570357 ZZLPCWBLWGOHAW-UHFFFAOYSA-N 413.905 5.228 0 40 HKAB CCSc1ncc(Cl)c(C(=O)N(Cc2ccc(Cl)cc2)Cc2ccco2)n1 8869049 PDHDFAXHDBTNAY-UHFFFAOYSA-N 422.337 5.331 0 40 HKAB CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 8902924 LTGQYNSNLCBMHQ-UHFFFAOYSA-N 400.478 6.269 0 40 HKAB Cc1cccc2c(=O)c(-c3ccc(Cl)cc3)c(NC(=O)c3ccccc3Cl)oc12 8994876 HVCORMDDOXJYKB-UHFFFAOYSA-N 424.283 6.328 0 40 HKAB Clc1ccc(-n2ncc3c(SCc4ccc(Cl)c(Cl)c4)ncnc32)cc1 9320610 DZPRLJRXDCGJBW-UHFFFAOYSA-N 421.740 6.068 0 40 HKAB COc1cc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(F)cc4)c3c2cc1OC 9675954 IYIBTRSHNYYCNH-UHFFFAOYSA-N 417.415 5.536 0 40 HKAB COc1ccc(C)cc1NC(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1 10027178 PYKOHNSNFMAXBD-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB O=C(NCCSCc1cccs1)c1ccccc1-c1nc2ccccc2s1 12797203 NJXDLHPQYGMKHE-UHFFFAOYSA-N 410.589 5.688 0 40 HKAB FC(F)(F)c1cc(-c2ccccc2)nc2cc(-c3nc(-c4ccccc4)no3)nn12 13644794 SBEGWAVHARJIGI-UHFFFAOYSA-N 407.355 5.132 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccc(O)cc1)SC(c1ccccc1)=N2 15084937 OYCZPWNSISHVCK-QFIPXVFZSA-N 415.493 5.940 0 40 HKAB O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15107130 BNIHDJJMIBYPSI-AWEZNQCLSA-N 417.408 5.606 0 40 HKAB O=C(CSc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(Cl)s1 16525669 YILKJDZERNGHHN-UHFFFAOYSA-N 419.936 5.606 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1 16575947 FITWWLAOFDUEFP-UHFFFAOYSA-N 419.912 6.024 0 40 HKAB C[C@@H](Sc1ncc(-c2cccc(Br)c2)o1)C(=O)Nc1ccccc1 16843864 IMZXEUOFIIPMAX-GFCCVEGCSA-N 403.301 5.223 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 17090463 MHUKDRKCIGNZDS-UHFFFAOYSA-N 415.990 5.266 0 40 HKAB CCN(CC)C(=S)Sc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 18249435 JATKKVINBHBUSH-UHFFFAOYSA-N 402.972 5.567 0 40 HKAB Cc1nc([C@@]2(O)CCCN(CC(C)C)CC2)sc1CCOc1ccc(Cl)cc1 19705445 GINWYIIIWYHLBB-JOCHJYFZSA-N 423.022 5.056 0 40 HKAB CSc1ccc(Cl)c(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)c1 22192176 ITXKJTRKDOHZAU-UHFFFAOYSA-N 402.928 5.373 0 40 HKAB Cc1cc(-c2cc(C(=O)Nc3ccccc3O)c3cnn(C(C)C)c3n2)c(C)s1 22319724 MPJOPQCMRRNHPY-UHFFFAOYSA-N 406.511 5.315 0 40 HKAB Cc1nc(NC(=O)c2cccc(C(F)(F)F)c2)sc1Cc1ccc2c(c1)OCO2 22880228 DTFQAQDTEUSGGX-UHFFFAOYSA-N 420.412 5.042 0 40 HKAB Cc1noc(C)c1CSc1ncccc1C(=O)OCc1ccccc1C(F)(F)F 24343313 KBNIWUYRKLGJCK-UHFFFAOYSA-N 422.428 5.355 0 40 HKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCc1ccc(-c2ccccc2F)o1 25276455 ISIASAAEAHGGGH-UHFFFAOYSA-N 423.444 5.100 0 40 HKAB Oc1nc(CSC2CCCC2)nc2c(Br)cc(Br)cc12 29867977 HORMWXOEKGGMEA-UHFFFAOYSA-N 418.154 5.036 0 40 HKAB Clc1ccc(OCc2cccnc2)c(CNC2CCN(Cc3ccccc3)CC2)c1 32825978 HTRCYLPSRHVQRZ-UHFFFAOYSA-N 421.972 5.068 0 40 HKAB Cc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3)no2)cc1 33327249 RWHZDZNLCHHTGF-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1OCC 36092688 MTMTVJTXRVGVQF-VQTJNVASSA-N 424.585 5.207 0 40 HKAB CCc1cccc(OCC(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1 40115289 JKCAVPHFYPCFKM-GOSISDBHSA-N 417.509 5.149 0 40 HKAB COc1cccc(-c2cc(=O)n3c4ccccc4n(Cc4c(C)cc(C)cc4C)c3n2)c1 40484661 NEOAJGADHRCBGA-UHFFFAOYSA-N 423.516 5.298 0 40 HKAB CC(C)(C)c1ccc(C2=NC3(CCCC3)N(C(=O)c3ccc(Cl)cc3)C2=S)cc1 45932981 JSLSZVQYXJRZNJ-UHFFFAOYSA-N 424.997 6.180 0 40 HKAB CCOc1ccc(-c2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)n[nH]2)cc1 57413284 JDDNOVZSPFUXEZ-UHFFFAOYSA-N 411.505 5.318 0 40 HKAB CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNc3ccccc3)cc12 57720606 AMALSJDKVRBWAD-UHFFFAOYSA-N 406.917 5.277 0 40 HKAB CC(C)n1ncc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1C(F)(F)F 58244557 UKBUOMLWQXPFLQ-UHFFFAOYSA-N 422.432 5.049 0 40 HKAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C(C)C)cc2)n1 67297831 KGDQEELTWGRHFN-RFBIWTDZSA-N 413.477 5.450 0 40 HKAB COc1cccc(C(=O)N[C@@H](C)c2cc(F)c(Cl)cc2Cl)c1OC(F)F 69231122 CRBAJVFMZMHCOT-QMMMGPOBSA-N 408.203 5.234 0 40 HKAB Clc1ccc(/C=C/c2nn3c(-c4cc5ccccc5o4)nnc3s2)c(Cl)c1 96193944 GSYKSWZGJFDOLQ-SOFGYWHQSA-N 413.289 6.076 0 40 HKAB Cc1ccc2c(c1)s/c(=N/C(=O)c1cc(-c3cccs3)nc3ccccc13)n2C 100843420 WWGFWBIHHIQOMF-WJTDDFOZSA-N 415.543 5.566 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 106683350 PTUWDCOLQHCRED-VCRXTVNUSA-N 401.915 5.754 0 40 HKAB Cc1cc(C)cc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 108114739 HZKPHKFNMSZZHR-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118912629 YGJKELZDRWFHOR-BWSYCYESSA-N 404.679 6.584 0 40 HKAB CC(C)n1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 214205985 GGHKGDIPBNOFFL-RGVLZGJSSA-N 410.926 6.112 0 40 HKAB COc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)c(C)c1C 222638197 ILZWWAGAJJRNLG-UHFFFAOYSA-N 413.564 5.405 0 40 HKAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 223480895 DYEGQYLHPGVDBM-RUZDIDTESA-N 418.512 5.012 0 40 HKAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 223878011 UQFLNRHRHLUSLB-PKTZIBPZSA-N 418.566 5.271 0 40 HKAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccccc1C(C)C 224226616 MFQGUFOAMFQZET-UHFFFAOYSA-N 423.940 5.981 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1COCC(C)C 224454859 PIIPATQINNXKPG-UHFFFAOYSA-N 405.494 5.912 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)NCc2cccc(CN3CCCCC3)c2)cc(C)c1Cl 224670800 JJZBPDRUPXQBJT-IBGZPJMESA-N 414.977 5.026 0 40 HKAB C[C@H](NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1 224958734 AHGCKUGHADZANI-INIZCTEOSA-N 402.881 6.153 0 40 HKAB CC(C)c1ccc(-c2noc(CCC(=O)NCc3ccc(Cl)cc3Cl)n2)cc1 225835598 FZOPNWVBSHUXLL-UHFFFAOYSA-N 418.324 5.416 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NC2(c3ccccc3C)CCCC2)cc1Cl 225866503 LZAXBWUBTXGPCP-UHFFFAOYSA-N 416.974 5.581 0 40 HKAB O=C(CCc1cccc(Cl)c1)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257318633 VOULHKGYTYMVKC-UHFFFAOYSA-N 420.944 5.212 0 40 HKAB CC(C)[C@@H]1O[C@@H]2c3cc(C(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(Cl)cc1 257328199 XEPDLKVJBBNHDU-QTPAZIJBSA-N 414.929 6.095 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc(Cl)ccc1N1CCOCC1 408571745 DYNIXHNVNMKFAO-DHZHZOJOSA-N 408.885 5.089 0 40 HKAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 408621507 SIQWARHIFVJKOI-UHFFFAOYSA-N 420.490 5.103 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1Cl 408622779 RNHRCZQAGUBLJM-UHFFFAOYSA-N 404.853 5.899 0 40 HKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)cc3)n2)cc1 408695066 OLOOBPBKZQHOKC-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1ccc2c(c1)OCO2 408840372 BAZLYTJFCZZIOQ-LFYBBSHMSA-N 418.257 5.281 0 40 HKAB O=C(CSCc1ccccc1)NCCSCc1ccc(Cl)cc1Cl 408920224 BURQOMQXEUQMHR-UHFFFAOYSA-N 400.396 5.276 0 40 HKAB O=C(Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2)c1ccc(F)cc1 409056790 IHIJRVIICOEVQS-UHFFFAOYSA-N 400.519 5.081 0 40 HKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2F)c(C)c1 409114381 JILFNJLQOHZHGJ-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB COc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)cc1 409117889 XZHVTBZICWEPPE-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB CC[C@@H]1C(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H](C)CCC(=O)O)[C@]3(C)CC[C@H]2[C@]2(C)CC[C@H](O)C[C@H]12 584578898 LHSZAKRHUYJKIU-CRVZMCOYSA-N 418.618 5.322 0 40 HKAB CC(C)CNC(=O)C[C@@H]1CC2(CCN(CC3CCCCC3)CC2)Oc2ccccc21 1201394105 PQBGRFFZXTYKMH-JOCHJYFZSA-N 412.618 5.130 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)c1C 626325 BSBOPQNVSSVDEI-UHFFFAOYSA-N 408.310 5.391 0 40 HKAB CC(C)(C)c1csc(NC(=O)CSc2ncccc2-c2nc3ccccc3[nH]2)n1 1329484 RMVPQJWNEXMMLP-UHFFFAOYSA-N 423.567 5.110 0 40 HKAB O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)Cc1cccs1)c1ccccc1 1333751 YRAMGZAIAWUSPX-QFIPXVFZSA-N 424.591 5.185 0 40 HKAB O=C(c1ccccc1F)N1CCc2cc(-c3csc(NC4CCCCC4)n3)ccc21 1354385 ORFPHEYGTDXVSM-UHFFFAOYSA-N 421.541 5.897 0 40 HKAB C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)n1c(C(F)(F)F)nc2ccccc21 1399303 ADDBGKDAWPWZJL-SNVBAGLBSA-N 401.310 5.274 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(c1nccs1)C3=O 2426166 QBBDPGCSWJHWJO-FQEVSTJZSA-N 416.502 5.431 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(c1nccs1)C3=O 2426167 QBBDPGCSWJHWJO-HXUWFJFHSA-N 416.502 5.431 0 40 HKAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1C(F)(F)F 2642356 YSYCSXOXEIKMAA-UHFFFAOYSA-N 413.395 5.097 0 40 HKAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Cl)cc1Cl 2684662 JLHTWYHRODXCTR-UHFFFAOYSA-N 401.297 5.231 0 40 HKAB COc1ccc(CCNC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1 3270491 RBUCHFARLMRPOD-UHFFFAOYSA-N 400.453 5.022 0 40 HKAB CCC(CC)c1nnc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)s1 3431098 WUEYWWVFLYZUQS-UHFFFAOYSA-N 417.966 5.209 0 40 HKAB Cc1ccc2c(CSc3nn(-c4ccccc4)c(=S)s3)cc(=O)oc2c1C 3457228 YLLAGKIRDNAAEK-UHFFFAOYSA-N 412.561 5.679 0 40 HKAB CCCn1c(SCc2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1 4003235 YLQCSJJTCFYROC-UHFFFAOYSA-N 402.538 7.059 0 40 HKAB CC(C)=CCC/C(C)=C/CC[C@@]1(C)OC(=O)N(C2CC(C)(C)NC(C)(C)C2)[C@]1(C)O 4199112 SBSQPHKKKSELIR-QINSCTOGSA-N 420.638 5.688 0 40 HKAB CCOc1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2ccccc2F)cc1 4625149 MWGJWGHORZGZAA-XMMPIXPASA-N 413.452 5.364 0 40 HKAB Cc1ccc([C@]23C[C@H](C)Sc4ccccc4N2C(=O)[C@@H]3Oc2ccccc2)cc1 4659004 CLEPDLDNNVKAJL-WYRQLCSISA-N 401.531 5.569 0 40 HKAB CSc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 4659676 QAGYTLRHJCYWAN-UHFFFAOYSA-N 404.922 6.529 0 40 HKAB CCCCc1nc2cc(NC(C)=O)c(C)nc2n1Cc1ccc(C(F)(F)F)cc1 4853806 UXYBJYKEGIYJOA-UHFFFAOYSA-N 404.436 5.108 0 40 HKAB COc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1c1ccccc1 4907369 CNYGZWFXLDSFKU-OAQYLSRUSA-N 407.311 5.813 0 40 HKAB CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)cc1 5035525 QDWFELOXJOOYTM-UHFFFAOYSA-N 414.461 5.645 0 40 HKAB CCCCCOc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(C)c32)cc1 5234856 HUQBAUVYXUXOLV-UHFFFAOYSA-N 416.315 5.056 0 40 HKAB CC[C@@](C)(CC(=O)NCC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 5390569 HFPBLUHWOVFWSL-LOLUNWTRSA-N 421.625 6.240 0 40 HKAB CCOc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc(Cl)c1OCC 5463641 YPBQNPTXYSIKAK-SXGWCWSVSA-N 406.265 5.135 0 40 HKAB COc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 5577118 CTMFDFYISYAMSR-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc4ccccc4c3)c2)cc1 8288103 GEPWCJMQPOLMBC-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB Cc1ccc2nc(-c3cccnc3SCC(=O)N3c4ccccc4C[C@H]3C)[nH]c2c1 8670409 GNTORSDNBSXIGO-MRXNPFEDSA-N 414.534 5.003 0 40 HKAB aggregator Cc1cccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2cccc(C)c2)c1 9250120 UBNFGYQINMBFTL-UHFFFAOYSA-N 419.550 5.298 0 40 HKAB COc1cccc(-c2c(NC(=O)c3ccc(C)cc3)oc3ccc(Cl)cc3c2=O)c1 9252780 RBZPWDNCVJWLQK-UHFFFAOYSA-N 419.864 5.683 0 40 HKAB C[C@H](Sc1nc2ccccc2n1C(F)F)C(=O)Nc1ccc(Cl)cc1Cl 9468523 VICHEGCJXWTGAY-VIFPVBQESA-N 416.280 5.858 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 12274567 MTEDSEGMNWFMEE-FQEVSTJZSA-N 412.272 5.700 0 40 HKAB O=C1C[C@H](c2ccc(Cl)cc2)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 12374684 YVLAODPHHLDUHW-CQSZACIVSA-N 401.846 5.380 0 40 HKAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)N3CCCCCC3)nc2c1 12547065 PAMLMZIMNPOYLJ-UHFFFAOYSA-N 406.551 5.405 0 40 HKAB COc1ccc(OC)c(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c1 15582329 PCZPNVKDSRWFRZ-UHFFFAOYSA-N 418.468 5.563 0 40 HKAB Cc1ccc(Nc2cc(C)nc3c(-c4ccc(F)cc4)c(C(F)(F)F)nn23)cc1 15839974 SKLDJBOMNYPFQD-UHFFFAOYSA-N 400.379 5.915 0 40 HKAB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(F)cc4)c3)nc2c1 17091822 RQIWUPJRQUBPAV-UHFFFAOYSA-N 419.481 5.378 0 40 HKAB COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 17093277 WPKZRKZDGKBKHI-QPJJXVBHSA-N 422.695 6.567 0 40 HKAB O=C1CCCN1c1ccc(CN(Cc2ccccn2)Cc2ccccc2Cl)cc1 19348712 DZBCAZHZIYYGPX-UHFFFAOYSA-N 405.929 5.064 0 40 HKAB Cc1noc2nc(C3CCN(C(=O)[C@@H](C)c4ccccc4)CC3)cc(C(F)(F)F)c12 19564484 GASMJWFSQKNBNJ-ZDUSSCGKSA-N 417.431 5.060 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)NCCc1csc(-c2cccnc2)n1 19942445 SINPULRVLTZZDZ-UHFFFAOYSA-N 413.546 5.086 0 40 HKAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 20140199 ISJAAPNMMVEAPM-UHFFFAOYSA-N 406.221 5.213 0 40 HKAB Cc1cccc(-c2cc(C(=O)O)c3c(-c4ccc(Br)cc4)[nH]nc3n2)c1 20492086 JLJBIWMFHGAQAQ-UHFFFAOYSA-N 408.255 5.061 0 40 HKAB Cc1n[nH]c2c1[C@@H](c1ccc(C(C)(C)C)cc1)N(c1ccc(Br)cc1)C2=O 20855050 HKULIAWZDDWKBG-HXUWFJFHSA-N 424.342 5.528 0 40 HKAB COc1ccccc1NC(=O)c1c(C)nc2ccc(Cl)cc2c1-c1ccccc1F 21225070 HMFDQTWSZOJGEU-UHFFFAOYSA-N 420.871 6.264 0 40 HKAB COc1ccc(OC)c(CN(C(=O)c2ccc(SC(F)(F)F)cc2)C2CC2)c1 25807699 ISSSYJKAFKZQSC-UHFFFAOYSA-N 411.445 5.121 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCCCCC2)cc1 27663599 GALJJOHHMGHLAP-JOCHJYFZSA-N 424.972 6.050 0 40 HKAB O=C(COc1ccc2ccccc2c1Br)N[C@H]1CCCc2ccccc21 30871065 DLEOFAKGKRXDHD-IBGZPJMESA-N 410.311 5.175 0 40 HKAB Cc1nc(NC(=O)c2cccc(Cl)c2)sc1-c1nc(-c2cccs2)no1 31814944 CUMKALPMLXMTHW-UHFFFAOYSA-N 402.888 5.136 0 40 HKAB CCc1ccc(-c2nc(CSCC(=O)Nc3cc(C)ccc3OC)cs2)cc1 32779092 GSLDVFHZBICULS-UHFFFAOYSA-N 412.580 5.561 0 40 HKAB COc1ccc2c(C)cc3nnc(SCc4coc(-c5ccc(F)cc5)n4)n3c2c1 40051352 KABRYNHRJGCUEL-UHFFFAOYSA-N 420.469 5.286 0 40 HKAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(OC3CCCC3)cc2)c1 40068228 OVYJFZCWOKRLRO-UHFFFAOYSA-N 422.554 5.266 0 40 HKAB c1ccc(CC2CCN(c3nc(NC4CCCCC4)c4ccccc4n3)CC2)cc1 41152777 WZNGBUFXHDLRQZ-UHFFFAOYSA-N 400.570 5.834 0 40 HKAB COc1ccc(-c2cnc(SCc3ccc(F)cc3)n2-c2cccc(Cl)c2)cc1 44087282 GDPPGPGMLMNDIJ-UHFFFAOYSA-N 424.928 6.633 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Cl)n2)c2ccccc12 48333172 WSAPCOZYDLCXMS-UHFFFAOYSA-N 412.898 6.087 0 40 HKAB Cc1ccc(Cn2c(SCc3ccc(C)c(C)c3)nc3ccccc3c2=O)cc1 67259452 CWNLOBNEOPZASJ-UHFFFAOYSA-N 400.547 5.662 0 40 HKAB Fc1cc(Br)ccc1NC(=S)Nc1cccc(OC(F)(F)F)c1 71326277 RYPOJFRRPCFJEX-UHFFFAOYSA-N 409.202 5.296 0 40 HKAB CC(C)n1nccc1NC(=O)CNc1ccccc1Oc1ncc(Cl)cc1Cl 79017426 LHDVRRBTAMMHDI-UHFFFAOYSA-N 420.300 5.009 0 40 HKAB Cc1cccc(NC(=O)N2CCN([C@H](c3ccccc3)c3cc(C)ccc3C)CC2)c1 96183766 ZRMDWVWBTYHJFS-AREMUKBSSA-N 413.565 5.551 0 40 HKAB COc1ccc(OC)c(NC(=O)CC23C[C@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)c1 100970276 QOLFUKCWFCMJSP-JKRLWXMKSA-N 405.538 5.571 0 40 HKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 216314352 YLQRPRJEYRTBIU-JOCHJYFZSA-N 408.542 5.162 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCCc1cccc(OC(C)C)c1 219336219 WIQQVQOEKAMLSY-XMMPIXPASA-N 405.538 5.533 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1ccc(OC(C)C)cc1 223028335 GPUNYOQOPVZUDE-JOCHJYFZSA-N 403.950 5.342 0 40 HKAB Cc1cc(C)c([C@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1C 223450218 GLQQGRFPZLDJDM-KRWDZBQOSA-N 404.348 5.247 0 40 HKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)c1 224549843 IFPLEDXPMWFTDT-DHIUTWEWSA-N 418.566 5.184 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)c2ccccc2OCc2ccccc2)c2ccccc2O1 224730367 KZYLBBZKWSFKMG-HSZRJFAPSA-N 415.533 6.078 0 40 HKAB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 225336787 PZQZROOHSWBEAG-PKTZIBPZSA-N 420.582 5.428 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=O)CCc1ccc(Cl)cc1Cl)CC(C)(C)O2 225378360 HWHQSLRZVVJLQF-GOSISDBHSA-N 408.325 5.353 0 40 HKAB COC(=O)c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1 226339825 OVJSRIILSDLPGQ-UHFFFAOYSA-N 408.050 5.261 0 40 HKAB CCOc1ccc([C@@H]2CN(Cc3ccccc3)CC[C@H]2NCc2ccccc2)cc1 245227433 MENHDFSNXLOASS-RRPNLBNLSA-N 400.566 5.233 0 40 HKAB CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)C=CCC(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 257348514 GOAKSZGUPAKILO-FESBTEMBSA-N 410.730 8.910 0 40 HKAB Cc1cccc(N2CCN(C(=O)CSCc3c(Cl)cccc3Cl)CC2)c1C 408562935 HBHYWCVYUQZEHV-UHFFFAOYSA-N 423.409 5.192 0 40 HKAB Cc1cccc(Cl)c1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 408699479 XCXYZQPQFGANBA-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB COc1ccc(CSc2nc3ccc(NC(=O)c4ccc(C)cc4)cc3s2)cc1 408749326 FSWJVOMKUUBOSS-UHFFFAOYSA-N 420.559 6.158 0 40 HKAB Clc1ccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 408867305 LJTZJNHGIYFPNO-UHFFFAOYSA-N 401.702 5.901 0 40 HKAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 409050707 YTCXIBHCFSMUNO-JCMHNJIXSA-N 418.493 5.009 0 40 HKAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409171653 BYQKCJKSFHSSCU-ZFJQUZMNSA-N 412.577 5.902 0 40 HKAB Cc1cc(OC(=O)c2cccc(C(=O)Oc3ccc(Cl)c(C)c3)n2)ccc1Cl 898398 MTHHREDWIGUTHD-UHFFFAOYSA-N 416.260 5.444 0 40 HKAB CC(C)[C@H]1Cc2c(sc3nc(SCc4cccc5ccccc45)nc(N)c23)CO1 986173 SGFUYYYYNNYXDY-GOSISDBHSA-N 421.591 5.816 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3nc4ccccc4s3)c3ccccc3n2)s1 997636 CXALJDPQENLEAJ-UHFFFAOYSA-N 401.516 6.134 0 40 HKAB CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 1448083 YQFDSHXAISEKBI-UHFFFAOYSA-N 405.372 5.319 0 40 HKAB biogenic O=C(Oc1ccc(/C=C/[n+]2ccccc2)c(OC(=O)c2ccccc2)c1)c1ccccc1 1581207 SOCWISSUTZYLAR-KNTRCKAVSA-N 422.460 5.040 0 40 HKAB CCOC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1Nc1cccc(Cl)c1 1783101 SLFSGENZYZTMOC-UHFFFAOYSA-N 418.880 6.601 0 40 HKAB O=C1CCCC[C@H]1[C@H](Nc1ccccc1I)c1ccccc1F 2270268 SPVGWJWUNDFZNC-AUUYWEPGSA-N 423.269 5.343 0 40 HKAB CCCSc1nnc2c3c4c(sc3nc(SCCC)n12)CO[C@](C)(CC)C4 2356287 CTCFKOPPYSLRQJ-LJQANCHMSA-N 422.645 5.585 0 40 HKAB COc1ccc(-n2ncc3c(NC(c4ccccc4)c4ccccc4)ncnc32)cc1 2376050 HZYKZAHORYGYJZ-UHFFFAOYSA-N 407.477 5.026 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2ccc3ccccc3c2)sc2c1CCCCC2 2752572 KFMAYNBXGAOTGW-UHFFFAOYSA-N 423.534 5.364 0 40 HKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(C4CCCCC4)cc3)cc12 3150589 ALQXXFNYBBLRET-UHFFFAOYSA-N 415.562 6.695 0 40 HKAB Cc1ccc(SCCC(=O)Nc2ccc(C(F)(F)F)c(C(F)(F)F)c2)cc1 3236115 QWJYSCHEPZLQNS-UHFFFAOYSA-N 407.379 6.154 0 40 HKAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccc2ccccc2c1 3253442 VFEQQLUUIWOGGA-UHFFFAOYSA-N 407.516 6.059 0 40 HKAB O=C(Nc1ccc2ccccc2c1)c1ccc(CSc2ccc(Cl)cc2)cc1 3661180 ALGLJCMWICAQCP-UHFFFAOYSA-N 403.934 7.038 0 40 HKAB COc1ccc([C@H]2NCCc3c2[nH]c2ccccc32)cc1COc1ccc(Cl)cc1 4029419 JAQCOYLHOAAQMC-XMMPIXPASA-N 418.924 5.644 0 40 HKAB biogenic CCCCN(C(=O)c1ccc(F)cc1)c1nc(-c2cc(OC)ccc2OC)cs1 4188947 RJKIUSYJOVRZGB-UHFFFAOYSA-N 414.502 5.413 0 40 HKAB COc1cc2c(cc1C)-c1nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc1CC2 4364044 BKGWQBRBJQAJJZ-UHFFFAOYSA-N 408.567 5.381 0 40 HKAB Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1ccc(Cl)c(Cl)c1 4678727 OSJVZRWAQWMDBR-UHFFFAOYSA-N 401.124 6.313 0 40 HKAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1ccccc1C(F)(F)F 4966452 TXZQUVYQZFGOGK-UHFFFAOYSA-N 419.472 5.133 0 40 HKAB CC[C@H](C)Oc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2OC)c1 4973349 QDNFEEWSGPWORS-HNNXBMFYSA-N 417.465 5.328 0 40 HKAB Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 5200201 IVNDPNXSDWHFOQ-UHFFFAOYSA-N 408.910 5.943 0 40 HKAB COc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)cc1 5798426 POMZMVYURPKMTK-HMMYKYKNSA-N 407.473 5.244 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(Br)o4)ccc3o2)cc1C 6215891 ICEFGNAPWGIQCC-UHFFFAOYSA-N 411.255 5.719 0 40 HKAB COc1ccc(-c2nc(CSc3nnc(-c4ccoc4C)o3)cs2)cc1OC 7193688 DSPIQZWAFWZIOZ-UHFFFAOYSA-N 415.496 5.071 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1OCC 7988168 HGPYSSUXLSFZHD-UHFFFAOYSA-N 403.522 6.107 0 40 HKAB CC(C)(C)C1CCC(C(=O)Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)CC1 8116172 AZDRPCPTXHHGNY-UHFFFAOYSA-N 420.600 5.005 0 40 HKAB CC(C)CSc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 8150634 ITDYCLYCJFOECZ-UHFFFAOYSA-N 421.056 6.874 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(C)c(Cl)c4)cc3)nc2c1 8196644 PQNXAGGHXRLNFN-OAHLLOKOSA-N 418.924 7.222 0 40 HKAB O=C(NC1CC1)c1cccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 8340413 QSKOKXDOWLUITR-XMMPIXPASA-N 409.489 5.096 0 40 HKAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1cccc(Cl)c1Cl 8708694 ZPOAWYCSHIYTDC-UHFFFAOYSA-N 400.261 5.242 0 40 HKAB O=C(c1cccc(Cl)c1)n1ccc(-c2ccccc2OCc2ccc(Cl)cc2)n1 8888402 SCBQYTDFKRMCFA-UHFFFAOYSA-N 423.299 6.124 0 40 HKAB CCOc1ccc(C(=O)Oc2cc(-c3cccc(OC)c3)c3oc(=O)sc3c2)cc1 9430776 NIFHYEGLNBVQND-UHFFFAOYSA-N 422.458 5.148 0 40 HKAB O=C1C[C@H](c2ccco2)Cc2c1c(Nc1cccc(Cl)c1)nn2-c1ccccc1 10157229 VVVKNUVGYZUBMV-OAHLLOKOSA-N 403.869 5.775 0 40 HKAB Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)c2ccccn2)ccc1Cl 11914476 SHOIZTHKPWBVKR-UHFFFAOYSA-N 401.293 5.309 0 40 HKAB CC(=O)c1cccc(NC(=O)Cc2cnc(-c3ccc(OC(F)(F)F)cc3)s2)c1 12408869 RBBQAGCRCMUBHV-UHFFFAOYSA-N 420.412 5.093 0 40 HKAB CCOC(=O)/C=C/c1ccc(NC(=O)c2sc3cccc(F)c3c2COC)cc1 13001451 KNNUVDJCABTHHB-FMIVXFBMSA-N 413.470 5.015 0 40 HKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1c(F)cccc1Cl 13708450 FAPYORZYLFOFRP-HNNXBMFYSA-N 417.933 5.449 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc2nc(-c3ccoc3)c(-c3ccoc3)nc2c1 13992071 MOPYKLKLBPDIFN-UHFFFAOYSA-N 415.836 6.056 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2cccc(Cl)c2)c1C 14405542 OEOILXUFWUEROM-UHFFFAOYSA-N 424.932 5.458 0 40 HKAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OCCC(C)C)c1 16751237 YYPFZAXAVVTSLU-QFIPXVFZSA-N 405.494 5.173 0 40 HKAB Fc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3ccc(F)cc3)c2Cl)cc1 17090208 RYZPCGQUQQXFJV-UHFFFAOYSA-N 415.270 6.850 0 40 HKAB Cc1cccc(CSCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 20485225 SMJLDZPVFIOUNK-UHFFFAOYSA-N 414.423 5.585 0 40 HKAB CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2ccc(C)cc2C)CC1=O 21524528 JXXZCBCCTWLIHR-OAQYLSRUSA-N 419.569 5.238 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1Cl 21580379 RTPYTBSZUDLUFW-UHFFFAOYSA-N 421.884 5.543 0 40 HKAB Cc1c(C)n(-c2nccs2)c2ncn3nc(-c4ccc(C(C)(C)C)cc4)nc3c12 21801825 WIUNHAWXIVGQIL-UHFFFAOYSA-N 402.527 5.106 0 40 HKAB CCn1cc(C(=O)Nc2ccc(C(C)C)cc2)c(=O)c2cc(C(F)(F)F)ccc21 22236741 RFTSMIIFUUGDFU-UHFFFAOYSA-N 402.416 5.416 0 40 HKAB COc1ccc(Oc2cc(NC(=O)c3cccc4ncccc34)ccc2OC)cc1 25467151 YQJNGQPLPPYHJS-UHFFFAOYSA-N 400.434 5.297 0 40 HKAB COc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)c2ccccc2OC)cc1 28288729 SJFXYLRHOSPBHL-XMMPIXPASA-N 400.478 5.047 0 40 HKAB O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccccc1F 32115085 DHQPEAUVAPWPBO-UHFFFAOYSA-N 402.759 5.818 0 40 HKAB O=c1c2c(ncn1Cc1ccccc1)c1cc(F)ccc1n2Cc1cccc(Cl)c1 35400301 SJJKPHAXPORUHF-UHFFFAOYSA-N 417.871 5.240 0 40 HKAB COC(=O)c1c(NC(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)sc2c1CCCC2 35476495 YELLTGMAGMBBPX-MRXNPFEDSA-N 418.946 5.436 0 40 HKAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 38753706 CCFUNSNZTDYTNJ-IBGZPJMESA-N 416.370 5.209 0 40 HKAB O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38848607 DYLLLTLDKMCVCM-UHFFFAOYSA-N 411.760 5.175 0 40 HKAB Cc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)c1C 46079059 XZSRRLYFIQVTMZ-UHFFFAOYSA-N 402.469 5.288 0 40 HKAB CC(C)(C)c1ccc(Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sccc32)cc1 67258322 BTOKRJPQTQOZMM-UHFFFAOYSA-N 424.953 5.213 0 40 HKAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(C(C)C)cc3)oc12 67298922 SVJOFHMNXSYORJ-RFBIWTDZSA-N 416.477 5.320 0 40 HKAB COc1ccc2oc(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3C)nc2c1 72260291 GNMBPAUJMKNUDQ-UHFFFAOYSA-N 422.868 5.483 0 40 HKAB CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 85646178 HCXVJBMSMIARIN-VFTKIANXSA-N 412.702 7.801 0 40 HKAB biogenic,in-vitro COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nn32)cc1 102678134 LUYZHXZKEDQYIE-OAQYLSRUSA-N 418.522 5.251 0 40 HKAB Cc1cc(C)cc(NC2=C[C@H](c3ccc(F)cc3)N(c3cc(C)cc(C)c3)C2=O)c1 103670351 RIBCYGHHLBAALF-RUZDIDTESA-N 400.497 6.143 0 40 HKAB O=C1[C@@H]2C=CC=C[C@H]2N=C(SCc2cccc3ccccc23)N1Cc1ccccc1 103672129 IAWGRQUAYAPHRS-DNQXCXABSA-N 410.542 5.582 0 40 HKAB CCOc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1cccc(Cl)c1 107031864 ZOVBCWKUAIYFSR-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB CCc1ccc(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c(Br)c1 218863791 NDBBRTLOFLXJAX-OAHLLOKOSA-N 418.375 5.565 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccccc1Cl 224482997 KDTQYWLOFUSEIQ-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1cc(C)cc(C)c1C 224607964 GECBXERBJSIFGP-UHFFFAOYSA-N 403.522 6.150 0 40 HKAB C[C@@H](NC(=O)c1cccc(I)c1)c1ccc(C(C)(C)C)cc1 224964032 CQCUIGJFEUYXCH-CYBMUJFWSA-N 407.295 5.080 0 40 HKAB Cc1nc(-c2cccc(NC(=S)NCc3ccc(Cl)cc3Cl)c2)cs1 225179960 BUJRTPNPTIYFEF-UHFFFAOYSA-N 408.379 5.912 0 40 HKAB CCC1(CC)C[C@H](NC(=O)CCc2ccc(Cl)c(Cl)c2)c2ccccc2O1 225319778 UIHKOGYPZHCYPI-IBGZPJMESA-N 406.353 6.125 0 40 HKAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1Cl 225524841 ZTHDVWPEGMUIHI-OAHLLOKOSA-N 422.352 5.858 0 40 HKAB COc1ccccc1-c1cccc(CC2(C(=O)NCCC3CCCC3)CCOCC2)c1 257281731 OQSHDVWMFPHRFY-UHFFFAOYSA-N 421.581 5.398 0 40 HKAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)c3csc(C)c3C)CC2)on1 257281754 OQVXEZQLERAKFC-IYARVYRRSA-N 424.570 5.131 0 40 HKAB Cc1cc(C)cc(CSCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 408573387 DMQIYLTVDZKVAG-UHFFFAOYSA-N 410.583 5.192 0 40 HKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 408575481 LWSQHFNFQSZQLI-LFIBNONCSA-N 417.936 6.520 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc(Br)cc2C(C)C)cc1OCC 408623229 RTHYOEUKCJFVNU-UHFFFAOYSA-N 420.347 6.012 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(Cl)cc2)c1C 408697001 DMTQHVXYNKVCHQ-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)c1 409096671 DUORVABEBGFCDQ-UHFFFAOYSA-N 405.954 6.112 0 40 HKAB CCc1ccc(-n2c(SCc3ccc(C)cc3)nnc2-c2ccc(Cl)cc2)cc1 409098787 PLTCLRWIEAIWFS-UHFFFAOYSA-N 419.981 6.751 0 40 HKAB CCCc1sc(NC(=O)CC[C@H](O)c2ccccc2)nc1-c1ccc(OCC)cc1 409199204 HNVKBDLCSXYOCK-FQEVSTJZSA-N 424.566 5.614 0 40 HKAB O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)[C@H]1C[C@H]2CC[C@H]1O2 504577511 KXFMTLJCTYIHON-FHLIZLRMSA-N 404.329 5.106 0 40 HKAB O=C(O)c1ccc([C@H]2CCCN2C(=O)OCC2c3ccccc3-c3ccccc32)s1 521396596 KHFBIDNBROXYNZ-HXUWFJFHSA-N 419.502 5.532 0 40 HKAB Cc1cc(-c2ccc(F)cc2)nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)nn12 649721 XQMNWOGZECINHC-UHFFFAOYSA-N 414.362 5.115 0 40 HKAB CCOc1cccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)c1 661633 ILKGJUVLTWONLM-UHFFFAOYSA-N 407.470 5.336 0 40 HKAB COc1ccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)cc1 904188 JHAOJIBZHFHXHH-UHFFFAOYSA-N 407.520 5.098 0 40 HKAB CC(C)Oc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C(F)(F)F)oc2c1 938987 PIUANUCPHXNIKW-UHFFFAOYSA-N 406.356 5.037 0 40 HKAB COc1ccccc1C(=O)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 989431 JUBKJGDNHSKSFM-UHFFFAOYSA-N 413.260 6.063 0 40 HKAB Cc1cccc(-n2c(SC(C)C)nc3sc4c(c3c2=O)CC(C)(C)OC4)c1 1288514 PKXYRLPMOARKIV-UHFFFAOYSA-N 400.569 5.107 0 40 HKAB O=C(c1ccc(Cl)c(Cl)c1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 1385609 VNVRJLCCWPECFJ-VBKZILBWSA-N 400.261 5.284 0 40 HKAB Cc1ccccc1-n1c(SC(C)C)nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 1764896 VCDWWQGLLXFSHP-KRWDZBQOSA-N 414.596 5.353 0 40 HKAB CCOC(=O)c1c(Nc2ccc(C)c(C)c2)nnc(-c2ccccc2)c1-c1ccccc1 1911190 RUBNXEFLUMYWAC-UHFFFAOYSA-N 423.516 6.348 0 40 HKAB aggregator COc1ccc(Oc2c(C)oc3cc(OCc4ccccc4C)ccc3c2=O)cc1 2104583 ANZTYVHUHSUGQB-UHFFFAOYSA-N 402.446 5.790 0 40 HKAB biogenic CCCC(=O)Nc1c(-c2ccc(Cl)cc2)c(=O)c(C)nn1-c1ccc(C)c(C)c1 2342862 ZZSBMBANMQXTOS-UHFFFAOYSA-N 409.917 5.217 0 40 HKAB C[C@@H]1CCc2c(sc3nc([C@@H](C)SCc4cccc5ccccc45)[nH]c(=O)c23)C1 2655145 CUWQWWNIFYSQNF-HUUCEWRRSA-N 420.603 6.257 0 40 HKAB CCc1ccc(-c2nc(-c3cc4ccc(OC(C)=O)cc4oc3=O)sc2CC)cc1 2964203 MITYQAXYWSXJJW-UHFFFAOYSA-N 419.502 5.634 0 40 HKAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(C)c4)c3N2)cc1 3012756 IIIPKBSBPPWTGY-MOPGFXCFSA-N 414.431 5.413 0 40 HKAB CCCCCc1c(-c2cccc3ccccc23)c(=O)oc2cc(OC(C)=O)ccc12 3177287 XGZZIKHLOOSWBU-UHFFFAOYSA-N 400.474 6.271 0 40 HKAB Fc1ccc(-c2cn3nc(CN4CCCc5ccccc54)n4c3c2CCCC4)cc1 3195948 FJSPYBWMQKUXHB-UHFFFAOYSA-N 400.501 5.231 0 40 HKAB O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)Nc1ccccc1 3285786 WARGJAWJRYXIIQ-UHFFFAOYSA-N 422.893 5.412 0 40 HKAB c1ccc(-c2nnc(CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)o2)cc1 3371057 MRGAYFBNDBRENW-UHFFFAOYSA-N 423.501 5.548 0 40 HKAB Cc1ccc(-n2c(SCc3ccc(Cl)s3)nnc2-c2ccccc2)cc1C 3446062 JIFCCOSRDQVEFY-UHFFFAOYSA-N 411.983 6.558 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 3769226 XDWBUTUUYSHUFP-LICLKQGHSA-N 408.306 5.629 0 40 HKAB O=C(CSc1ccc(Cl)cc1)N1OC[C@H]2COc3ccc4ccccc4c3[C@H]21 4040102 MXVWFHDTTFTQLY-QRQCRPRQSA-N 411.910 5.109 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccc(Oc2ccccc2)c1 4070259 GQKLSDHAQGSIKS-UHFFFAOYSA-N 412.923 6.570 0 40 HKAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccccc1Oc1ccccc1 4176817 IIOVNPPVGSURKM-UHFFFAOYSA-N 403.459 5.733 0 40 HKAB CC(C)n1c(/C=C(/C(=O)Oc2ccc(F)cc2)c2ccc(F)cc2)nc2ccccc21 4418762 NCPNHIIGUKAKEA-RCCKNPSSSA-N 418.443 6.042 0 40 HKAB CSC1=N[C@@]2(C[C@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)CC(C)(C)N1 4553239 DSDFSXFVDPCKMS-QVKFZJNVSA-N 402.947 5.147 0 40 HKAB CCc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C(C)(C)C)CC4)cc1 4660821 YHDHWVMPZUJQPS-QGZVFWFLSA-N 411.567 5.947 0 40 HKAB CC(C)COC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4664279 TYSWBDQCOWZSPF-MCADVSAISA-N 424.585 5.350 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 4675399 RNWQJSSREIAINA-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)cc12 4926556 DQFYVQVMIGATCL-LXIYXOSZSA-N 401.963 5.603 0 40 HKAB Clc1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCCO5)cc1 4969993 DQFUJVPDXOARBY-UHFFFAOYSA-N 413.864 5.665 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(Oc2ccccc2)cc1 5021207 BEDBYGRTHXAWCF-UHFFFAOYSA-N 403.463 5.260 0 40 HKAB CCCCCCOc1ccccc1/C=C/[C@]12NC(=O)CCN1c1ccccc1C2(C)C 5249951 URJQUBCHXVEETL-ANQUPQIBSA-N 418.581 5.673 0 40 HKAB CCC(=O)N(CC[C@@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)Cc1ccco1 5298098 VNZZWEWGPARYJZ-DEOSSOPVSA-N 417.977 5.880 0 40 HKAB C=Cc1ccc(COc2ccc(-c3onc(C)c3-c3ccc(OC)cc3)c(O)c2)cc1 5353446 ROLZYLWCGLOMKN-UHFFFAOYSA-N 413.473 6.253 0 40 HKAB biogenic Cc1ccc(C(=O)CCCCCCCCCCC(=O)c2ccc(C)cc2O)c(O)c1 5927754 OREMTVHJUYBBGN-UHFFFAOYSA-N 410.554 6.681 0 40 HKAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(C(C)C)cc2)NC(=O)N1 6053098 MSUKKTNDZXBYNF-LJQANCHMSA-N 417.431 5.095 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2-c2ccccc2)c1 6422344 HHJGYPYDQSWXTN-UHFFFAOYSA-N 418.497 5.113 0 40 HKAB COCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccccc1Cl 6665474 YDISRYDRVAOQCZ-UHFFFAOYSA-N 422.916 5.200 0 40 HKAB O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N1CCCc2ccccc21 6928432 GNDNHEHFWSVXEG-UHFFFAOYSA-N 400.956 5.535 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)N1CCC[C@@H]2CCCC[C@H]21 7772292 GOLAWBFGSKSVEB-PGRDOPGGSA-N 417.578 5.570 0 40 HKAB C[C@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)N(C)Cc1ccsc1 8268571 UEPWDKZUCVZYPD-MRXNPFEDSA-N 421.591 5.408 0 40 HKAB CCOc1ccc([C@@H]2CN3C(=O)c4ccccc4[C@H]3c3[nH]c4ccccc4c32)cc1OC 8790304 GHHPOAMANWJCMI-FNZWTVRRSA-N 424.500 5.266 0 40 HKAB biogenic O=C(Cc1csc(SCc2ccc(Cl)cc2)n1)N1CCc2ccccc21 8854367 OFIPLWBEYZTAPJ-UHFFFAOYSA-N 400.956 5.221 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)c1 8860824 AJYCJROENKLXRD-IBGZPJMESA-N 420.563 5.622 0 40 HKAB COc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccc(C)c2)c1 9209796 XLNKZHKZDKOTFH-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB O=C(Nc1c(C(=O)Nc2ccccc2)oc2ccccc12)c1ccc2ccccc2c1 9343877 FSLLCOQEYFPGSI-UHFFFAOYSA-N 406.441 6.091 0 40 HKAB CC(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc45)=NN32)cc1 12436635 PBJNLUYKGSEFIB-XRKRLSELSA-N 418.540 7.206 0 40 HKAB CSc1ccc(CN(C)Cn2nc(Nc3ccccc3C)sc2=S)cc1 12552736 ZCVIQSPIMWIARH-UHFFFAOYSA-N 402.614 5.538 0 40 HKAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc2c(-c3cccc(Cl)c3)cnn12 12862071 IRELLUJDRGQIAI-UHFFFAOYSA-N 408.210 6.389 0 40 HKAB Cc1cccc2c(=O)[nH]c(CSc3ncnc4sc(-c5ccccc5)cc34)nc12 12935923 HKGZPMTXIGLXCN-UHFFFAOYSA-N 416.531 5.196 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1OCc1ccccc1 13687226 ZECUAAGRGUMYNT-UHFFFAOYSA-N 405.803 6.190 0 40 HKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 13999725 QJTFGYTXZGUNBP-XXBNENTESA-N 416.521 5.282 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 14179982 IUHISHSUXLAVMM-UHFFFAOYSA-N 411.820 5.252 0 40 HKAB CN(CC(=O)Nc1ccccc1Cl)c1nc(-c2ccccc2)c2ccccc2n1 14199192 XYHRHRYODUNUGG-UHFFFAOYSA-N 402.885 5.025 0 40 HKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1c(F)cccc1Cl 16322334 ATKPOCSYHRTEJR-GFCCVEGCSA-N 418.386 5.663 0 40 HKAB O=C(COc1ccc(Cl)cc1)Nc1cc(-c2nc3ncccc3o2)ccc1Cl 16431619 VMTWTIIKXRSWGL-UHFFFAOYSA-N 414.248 5.214 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3C)o2)cc1Cl 17088705 GJCOOXLATQGAEX-ZRDIBKRKSA-N 410.926 5.743 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1 17090350 ZFFIORRGSFMLCD-UHFFFAOYSA-N 415.518 5.492 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nc3ccccc3o2)cc1 17092491 HBZXVHLBJNFGTC-UHFFFAOYSA-N 420.896 5.622 0 40 HKAB O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1cccc(Cl)c1 17093740 UMNFOKGELBNPJD-UHFFFAOYSA-N 423.950 5.744 0 40 HKAB O=C(/C=C/c1ccc(OC(F)F)cc1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 18891063 ZCYBRLQRDRQFMB-XYOKQWHBSA-N 415.436 5.001 0 40 HKAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3[C@@H](C)c3ccncc3)cc2n1 19452346 PYAXCEDGKCRUTM-KBXCAEBGSA-N 403.452 5.165 0 40 HKAB Cc1cc(Br)ccc1NC(=O)COc1ccc(C2SCCS2)cc1 19599007 BNOVJKMVCDCSGQ-UHFFFAOYSA-N 424.385 5.254 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1cccc(Cl)c1 20455084 SFCWHGLDRMUAFR-GOSISDBHSA-N 414.423 5.914 0 40 HKAB C[C@H]1CCCN(Cc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)C1 22524393 NODNFDOQZHXXNJ-QHCPKHFHSA-N 412.577 5.761 0 40 HKAB CN(Cc1ccccc1NC(=O)/C=C/c1ccc(Br)o1)C1CCCCC1 23352496 CWMMCEWOSJPNIF-WYMLVPIESA-N 417.347 5.459 0 40 HKAB Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)oc2ccc(Cl)cc12 27663617 PXPUWRAFAHWZMA-SFHVURJKSA-N 416.974 5.803 0 40 HKAB C[C@@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C)C(C)(C)O 31302857 BPKAHTKRCLCHEA-DCUJIKHJSA-N 416.646 5.561 0 40 HKAB O=C(Nc1nnc(C2CC2)s1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 32502385 TZFIQMOJILCMGN-UHFFFAOYSA-N 413.808 5.600 0 40 HKAB CSc1ccccc1C(=O)Nc1cnc(C)n1-c1nc(-c2ccc(F)cc2)cs1 32615883 VTJCYCXWNLXVIZ-UHFFFAOYSA-N 424.526 5.418 0 40 HKAB S=C(c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)N1CCCC1 33559997 ISEFKYITCUGTOG-UHFFFAOYSA-N 400.758 5.997 0 40 HKAB Cc1ccccc1[C@@H]1C(C=NNc2ccccc2)=C(c2ccccc2)Oc2ccccc21 33923877 ITULBBUZRBTQIP-NDEPHWFRSA-N 416.524 7.029 0 40 HKAB CCN(CC)CCCn1c(-c2ccccc2)nc2c(sc3nc(C)cc(C)c32)c1=O 35326866 RLDZKVNDLCXHPJ-UHFFFAOYSA-N 420.582 5.022 0 40 HKAB COc1cc(-c2noc(-c3cc(-c4cc(C)ccc4C)n[nH]3)n2)ccc1OC(C)C 35504195 FZZIPCQAOHVFJW-UHFFFAOYSA-N 404.470 5.206 0 40 HKAB COc1ccc(-c2nc3ccc(Cl)cn3c2Nc2cccc(Cl)c2)cc1OC 35616170 YRVFEGHEVHZQPI-UHFFFAOYSA-N 414.292 6.069 0 40 HKAB Cc1ccc(-c2ncc(Sc3nc(-c4ccc(Br)cc4)n[nH]3)o2)cc1 35681811 XKPNHDKXMREQMF-UHFFFAOYSA-N 413.300 5.349 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38849559 KGMSJVSJBFFUBZ-CQSZACIVSA-N 411.760 5.806 0 40 HKAB Cc1noc2nc(-c3ccco3)cc(C(=O)N3CC[C@@H](C)Sc4ccccc43)c12 39539787 BHGFMNMMTKXHOB-CYBMUJFWSA-N 405.479 5.322 0 40 HKAB CN(C(=O)c1ccc(NC(=O)c2ccco2)s1)C1CCC(c2ccccc2)CC1 40070346 RLJKQSHUIHNNAC-UHFFFAOYSA-N 408.523 5.392 0 40 HKAB COc1ccc(CN(C)C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1F 40104425 RNZRABFFAAFIHQ-UHFFFAOYSA-N 422.460 5.142 0 40 HKAB O=C1C(O)=C(c2ccccc2)[C@H](c2cccc(Br)c2)N1Cc1ccco1 40485985 OAHJVOOBACRKQN-IBGZPJMESA-N 410.267 5.095 0 40 HKAB Cc1cc(C)n(-c2nc3c(cc(Cl)c4nc(-n5nc(C)cc5C)sc43)s2)n1 57327735 MDCLZRXRSUZPNN-UHFFFAOYSA-N 414.947 5.164 0 40 HKAB CC(C)c1noc(CCCC(=O)Nc2ccc(Sc3ccccn3)c(Cl)c2)n1 58280957 URRIGBORRPYVKE-UHFFFAOYSA-N 416.934 5.354 0 40 HKAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 59500410 AZFCXAMLNFMJJM-QQNJPBSNSA-N 413.904 5.301 0 40 HKAB biogenic CCc1ccc(-n2cc(-c3nc(-c4ccccc4OC)no3)c3ccccc3c2=O)cc1 67245328 QGESRWGNCIEISX-UHFFFAOYSA-N 423.472 5.279 0 40 HKAB CC1=NN=C(c2ccccc2)Cc2c1c(C)n(Cc1ccccc1)c2-c1ccccc1 67340106 FCRNSCZQHMIZBF-UHFFFAOYSA-N 403.529 6.281 0 40 HKAB O=C(c1cnc(NCc2ccc(F)cc2C(F)(F)F)c(Cl)c1)N1CCCCC1 72014020 BACRLDHCHOPHPK-UHFFFAOYSA-N 415.818 5.131 0 40 HKAB O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)c1ccccc1C(F)(F)F 96119668 SZAIQFLCJYZMOM-UHFFFAOYSA-N 413.355 5.192 0 40 HKAB C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)OCCC1=CC[C@@H]2C[C@@H]1C2(C)C 100473777 DSMACWUWXMGHRZ-YUTCNCBUSA-N 417.760 6.340 0 40 HKAB CC1(C)[C@H]2C[C@@H]3C(=CC[C@H]4C(=O)[C@@H]5CC=C6[C@H](C[C@@H]7C[C@@H]6C7(C)C)[C@@H]5C(=O)[C@H]34)[C@@H]1C2 104134171 MGEJXICFGVOYBM-MROZCKCLSA-N 404.594 5.628 0 40 HKAB CCc1cccc2c(/C=C3\SC(=O)N(Cc4cccc5ccccc45)C3=O)c[nH]c12 106718401 GPGSYDVSUSBZQA-XKZIYDEJSA-N 412.514 6.120 0 40 HKAB C[Si](C)(C)c1c(Cl)c(Br)c(C(=O)O)c(C(F)(F)F)c1Cl 196245634 AXDWGABBHZNIQO-UHFFFAOYSA-N 410.089 5.018 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(Cl)c3)N21 222683967 IEIUJRUMXVYQIH-TYCQWZJGSA-N 408.958 5.505 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)c1 223420247 HYQFJRSLYRWATQ-LVXARBLLSA-N 401.550 6.100 0 40 HKAB Cc1cc(C)c([C@@H](C)NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1C 223475506 NLVKIQNBJRDWFK-LJQANCHMSA-N 407.941 6.335 0 40 HKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 224439735 RSDLPTMCLCPHJA-DHIUTWEWSA-N 420.557 5.705 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1cc(C)cc(C)c1C 224616132 FTOAWAZHBSOGIN-UHFFFAOYSA-N 423.597 6.432 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccc(C)c(C)c1 224621971 AICGIAAJARRHMI-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB CCc1cccc(C)c1NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224875737 MDJAQGUZJFJTNF-UHFFFAOYSA-N 413.315 5.546 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 224988040 ZKGUNLULNJDKOH-UHFFFAOYSA-N 423.984 6.604 0 40 HKAB O=C(O)[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1ccccc1Cl 225133336 BICGJLNKISZDFU-FQEVSTJZSA-N 403.261 5.860 0 40 HKAB Cc1cc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc(C)c1OCC(C)C 225578631 QMIGBGORFAANJT-UHFFFAOYSA-N 415.961 5.679 0 40 HKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225703379 QYVDIFAKPIWDKW-DNRQZRRGSA-N 418.622 5.357 0 40 HKAB Fc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cc1Cl 225857040 NYSQURCURYATLG-UHFFFAOYSA-N 411.373 6.365 0 40 HKAB C[C@@H]1CCCN(c2ccc(N)cc2C(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 226324515 LZAKWOUEBXEOQV-LLVKDONJSA-N 412.748 5.718 0 40 HKAB C/C(=C\c1cc(Br)ccc1OC(=O)/C=C/c1ccc(Cl)cc1)[N+](=O)[O-] 408536643 SIFIBLJFJOLVFB-MYDPPTLSSA-N 422.662 5.359 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc4ccccc34)nn2-c2ccccc2C)cc1 408698353 MSGRYCFUFKHDCZ-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB COc1cccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c1 408817050 STNQUFDRXFNWFT-QZAGLCHTSA-N 407.559 5.749 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 408914357 WKADUHIIXPHRKL-FMIVXFBMSA-N 403.503 5.668 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1C 409120894 WYZGRIGCZUXJSD-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB COc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1cccc(C)c1 409254333 YVTOBDATJIPJLQ-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 514571107 RUYRZBOLTRRZFS-COZJESOBSA-N 409.492 5.946 0 40 HKAB O=C(OCCc1ccc(F)cc1)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575442800 AYDMQMHGWXWHQI-UHFFFAOYSA-N 416.456 5.737 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 675317 BMDZPMAKKSNVMA-UHFFFAOYSA-N 404.304 5.176 0 40 HKAB COc1ccc(-c2csc(N(Cc3ccccc3)C(=O)c3ccccc3C)n2)cc1 929094 QVGOVFYXSCENLH-UHFFFAOYSA-N 414.530 5.974 0 40 HKAB O=C(N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)c1cc2c(ccc3ccccc32)o1 1011009 JAIXCJHPBAKHRC-VULFUBBASA-N 424.412 5.308 0 40 HKAB CCCCCN(CCCCC)C[C@H](O)c1ccc(I)cc1 1683565 BKUWTUNGQXZEAV-SFHVURJKSA-N 403.348 5.007 0 40 HKAB CCCCN(C)c1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 1757635 WLSQJCYKMRNYTL-UHFFFAOYSA-N 422.554 5.587 0 40 HKAB Cc1ccc(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1C 1799098 WUNWZPZVQXKXHT-UHFFFAOYSA-N 418.924 5.803 0 40 HKAB CCOc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccccc2)cc1 2453383 QBGQFEKRFGWBKX-UHFFFAOYSA-N 401.535 5.934 0 40 HKAB Cc1ccc(-n2c(SCC(=O)N3CCCC[C@H]3C)nnc2-c2ccccc2)cc1C 2622954 RBTKLKGTRCUZBY-LJQANCHMSA-N 420.582 5.044 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(N3c4ccccc4C[C@H]3C)sc2Cl)cc1 2678759 BNWMRMLBMUNLOJ-CYBMUJFWSA-N 404.944 5.020 0 40 HKAB CC(C)OC(=O)c1c(NC(=O)C2CCCC2)sc2c1CC[C@@H](c1ccccc1)C2 2762817 MLNMCRZKSVSBRE-GOSISDBHSA-N 411.567 5.715 0 40 HKAB O=C(CCN1c2ccccc2Sc2ccccc21)N[C@@H]1CCCc2ccccc21 3220193 VDIKSQDWUDMHGQ-HXUWFJFHSA-N 400.547 5.873 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(Cl)cc1)CC2 3224764 TXPRRTYDPJYQEY-OAQYLSRUSA-N 413.926 5.207 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3cccc(Br)c3)n2)cc1C 3260341 BTFXQDGIUPAESR-UHFFFAOYSA-N 403.301 5.142 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Sc1ncccn1)c1ccccc1 3314450 AKOJXHCKHNAYIH-INIZCTEOSA-N 423.847 5.621 0 40 HKAB O=C(Cc1c(Cl)cccc1Cl)Oc1ccccc1C(=O)Nc1ccccc1 3353162 SZGUPKQDKHAYKF-UHFFFAOYSA-N 400.261 5.394 0 40 HKAB Cc1ccc([C@]2(CCNCc3ccc(OC(C)C)cc3)CCO[C@H](C(C)C)C2)cc1 4043139 XCCHMKUUKILYOF-RRPNLBNLSA-N 409.614 6.035 0 40 HKAB biogenic O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccc(C(=O)c2ccccc2)cc1 4071249 DGOHZHLJGOKOAG-UHFFFAOYSA-N 408.482 5.933 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc3)sc2c1 4071754 IRYPMHOSYNDYQL-UHFFFAOYSA-N 412.436 6.543 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1nc2c(s1)COc1ccccc1-2 4224100 QRQIIMWFCOIPRH-UHFFFAOYSA-N 407.278 5.027 0 40 HKAB COc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccncc2)cc1 4509708 RVWFCQQMDKNONL-UHFFFAOYSA-N 402.523 5.063 0 40 HKAB S=C(NCc1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1 4666125 DDAISFINBCHQDD-QFIPXVFZSA-N 405.954 5.566 0 40 HKAB Cc1ccc(C(=O)[C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN23)cc1 4854099 SELOHVQCYJVCBE-RCZVLFRGSA-N 416.908 5.709 0 40 HKAB CCSc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)cc1 5241560 XECQWROSKOIGCI-UHFFFAOYSA-N 400.525 5.192 0 40 HKAB COc1cccc(N(CC(=O)Nc2ccccc2C(C)C)C2=NC(C)(C)CS2)c1 5704329 IBWCLQHUAGJLSM-UHFFFAOYSA-N 411.571 5.145 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)Nc4cccc5ccccc45)cc3)sc2c1 5747644 JMLXLYSEGZSECQ-UHFFFAOYSA-N 409.514 7.069 0 40 HKAB CCOc1cc(-c2cccs2)c/c(=N\c2cccc(OC)c2)c2c(C)oc(C)c12 5906071 KMYQGTIDCVEPTK-LKUDQCMESA-N 405.519 6.418 0 40 HKAB biogenic CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(C(C)(C)C)cc1 6359449 PEHWWJQBTGBBBF-UHFFFAOYSA-N 415.990 6.120 0 40 HKAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[C@@H](C)c1ccccc1 6455263 SWWUCIZVPQLSHY-QGZVFWFLSA-N 418.493 5.088 0 40 HKAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc([C@@H](C)CC)cc2)c1 6592798 XYNNXOJSKUJFOY-HNNXBMFYSA-N 402.922 5.610 0 40 HKAB c1ccc(-c2nnn3c2nc(NCCc2c[nH]c4ccccc24)c2ccccc23)cc1 6738861 ADUFDUSFALMGEB-UHFFFAOYSA-N 404.477 5.080 0 40 HKAB CC(C)(C)CC(C)(C)NCc1cc(Br)ccc1OCc1ccccc1 6857359 QXLVAXWVWYWRRB-UHFFFAOYSA-N 404.392 6.333 0 40 HKAB Cc1csc(SCc2ccccc2C(=O)O[C@H](C)c2ccccc2Cl)n1 7784147 WSILMTRATUCJKF-CQSZACIVSA-N 403.956 6.315 0 40 HKAB CC(=O)c1ccc(OCCCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 8315383 GQQBFQUSMHCMDG-UHFFFAOYSA-N 408.523 5.427 0 40 HKAB Cc1ccc(C)c(-c2csc(-c3c(N)c(C(=O)c4ccccc4)n4ccccc34)n2)c1 8844881 LIOAVAFEVOJQNM-UHFFFAOYSA-N 423.541 6.160 0 40 HKAB COC(=O)c1ccc(CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@@H]2C)cc1 8887077 RBDPAUROVNOQKO-JXFKEZNVSA-N 422.554 5.170 0 40 HKAB CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c1ccccc1Cl)c1ccccc12 9331163 VRJVHIMJGPZSTN-UHFFFAOYSA-N 421.880 5.689 0 40 HKAB Cc1noc(C)c1CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1 9515874 QXGCKFIVKGHCMV-UHFFFAOYSA-N 403.935 5.452 0 40 HKAB Cc1cc(NC(=O)[C@@H](Sc2nc3cc(Cl)ccc3s2)c2ccccc2)no1 9583631 MZAAVLFVJLEOBL-KRWDZBQOSA-N 415.927 5.718 0 40 HKAB O=C(O)Cc1ccc(Nc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)cc1 9972214 NSIRVLDTNIGJOQ-UHFFFAOYSA-N 404.853 5.219 0 40 HKAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 9989046 QPNXSNXYRTYLOA-LBPRGKRZSA-N 421.353 5.391 0 40 HKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc(I)cc2)cc1 10369006 QMIQXHQJQPUMMG-UHFFFAOYSA-N 407.295 5.160 0 40 HKAB CC(C)CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1 11915078 VZSRGQNYVBTPHL-UHFFFAOYSA-N 422.550 5.067 0 40 HKAB Cc1c(Cl)c(CSc2nnnn2-c2ccc(Cl)cc2)nc2ccccc12 12600714 SAUCDAGTSTXYOH-UHFFFAOYSA-N 402.310 5.118 0 40 HKAB Cc1ccc(N2C(=O)/C(=C\Nc3cccc(Cl)c3C)c3ccccc3C2=O)c(C)c1 12651879 KVCUSQXBEFUJSS-ZHZULCJRSA-N 416.908 5.905 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3OC(F)F)c3c(C)noc3n2)s1 12798920 KLBLQLRONMCWQF-UHFFFAOYSA-N 415.421 5.422 0 40 HKAB CCOc1cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)ccc1OC 12983149 UFNYUYOKDQZIBS-IYPOZPNPSA-N 408.523 5.081 0 40 HKAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2c(Cl)cccc2Cl)cc1 12995013 JKSPXAQUTHYZPM-IBGZPJMESA-N 407.341 5.558 0 40 HKAB Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2cccs2)c(C)c1 15412843 GRJQRLYCPMJBKZ-QHCPKHFHSA-N 404.535 5.103 0 40 HKAB C[C@H](SCCOc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(F)(F)F 15492194 KEKUBVWEJZPAQK-LBPRGKRZSA-N 403.853 5.498 0 40 HKAB Cc1cc(NCCC2=CCCCC2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 15839984 GNHYGRNODXAWKI-UHFFFAOYSA-N 418.438 6.165 0 40 HKAB O=C(NC(=S)Nc1ccc(Br)cc1)c1cccc2c(Cl)cccc12 17091993 ILHNKKPKDVJWLZ-UHFFFAOYSA-N 419.731 5.383 0 40 HKAB Cc1ccc(-c2nnc([C@@H]3CCCN(CCCC(=O)c4ccc(C)c(C)c4)C3)o2)s1 19213467 URXYHQPENJSIRJ-HXUWFJFHSA-N 423.582 5.566 0 40 HKAB Cc1ccc(NC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 22468717 HBFJIUOAFAPGAL-UHFFFAOYSA-N 421.491 5.212 0 40 HKAB COc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3CCCc4ccccc43)cc2)cc1 24833849 CFFNALPPDVUTFN-HSZRJFAPSA-N 400.478 5.006 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)N2CCCCC2)cc1 27991502 YGTMODWQRRVQIX-JOCHJYFZSA-N 424.972 5.968 0 40 HKAB COc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2ccc(C)cc2)cc1 28288742 RMPRHQBFDTZBCI-SANMLTNESA-N 414.505 5.112 0 40 HKAB Oc1[nH]c(=S)nc2c1[C@H](c1ccc(C(F)(F)F)cc1)C=C(c1ccccc1)N2 28466211 ZTTAWWGVKQRAHF-AWEZNQCLSA-N 401.413 5.462 0 40 HKAB Cc1oc(-c2cccs2)nc1CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 31318066 AHMRTUFRRORGCL-UHFFFAOYSA-N 420.456 5.464 0 40 HKAB COc1ccccc1[C@H]1CC(O)=Nc2sc(C(=O)Nc3ccccc3F)c(C)c21 32069633 GQEXYDGUSSKYNT-CQSZACIVSA-N 410.470 5.580 0 40 HKAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)[C@H](C)Oc3ccc(F)cc3)n2)cc1 32622914 BZLZDFTUDVTSMI-INIZCTEOSA-N 417.440 5.257 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](C)SCc2nc(-c3cccc(Cl)c3)no2)c1 32779108 WDTOKTBHSKECAD-CQSZACIVSA-N 401.919 5.267 0 40 HKAB Clc1ccccc1/C=C1/CCCC2=C1N=C1N=CNN1[C@@H]2c1ccccc1Cl 36490673 CQVVXEGDIXUDOK-OKULMJQMSA-N 409.320 5.774 0 40 HKAB Cc1ccc(-c2noc(-c3nn(-c4cccc(Cl)c4)c(=O)c4ccccc34)n2)cc1 64949850 BKEBLLHZPSURKV-UHFFFAOYSA-N 414.852 5.065 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2Sc2ccccc2)cc1 72217670 OEJPYWWMAVDAJO-OAQYLSRUSA-N 410.564 5.067 0 40 HKAB Brc1ccc(-c2ccc(-c3nc4ccccc4[nH]3)o2)c(Br)c1 85345550 HSORITGKGQDQFL-UHFFFAOYSA-N 418.088 6.015 0 40 HKAB CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1cccc(C)c1 97528523 HNMDTXSTZGIFFL-UHFFFAOYSA-N 411.918 5.269 0 40 HKAB CCn1c(-c2ccccc2)cs/c1=N/c1ccc(-c2nnc3n2CCCCC3)cc1 100840826 GAVHQZJFOZVRTJ-OCOZRVBESA-N 415.566 5.454 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2cccnc2)cc1 102723932 TWPYXEFZYWBSRI-UNMCSNQZSA-N 410.304 5.939 0 40 HKAB CO[C@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCCC(C)C)[C@@H]21 118932527 WCLAESSRAKSOIR-MBOCNQOASA-N 416.690 7.014 0 40 HKAB O=C(CSc1nc2ccccc2s1)N1CCS[C@H](c2cccs2)CC1 219463004 DYFRRNSDVKLQJX-INIZCTEOSA-N 406.623 5.157 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 223642752 MTVWHGJYCHZJDF-FQEVSTJZSA-N 419.506 5.163 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccccc1Cl 224477324 VCKNYWIDBYFREO-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(C)cc1 224690642 KIRNGMVCWCOWGI-UHFFFAOYSA-N 409.595 5.678 0 40 HKAB Cc1ccc(C)c(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)c1 225054777 UGJMJDIQBKCZFN-UHFFFAOYSA-N 424.378 6.006 0 40 HKAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1Cl 225541504 UPKDLGYTGWWAOK-SFHVURJKSA-N 415.961 5.903 0 40 HKAB CCOC(=O)c1cc(NC(=S)NC[C@H](CC)Cc2ccccc2)ccc1Cl 225632823 HCCDDNOVVLOLHH-OAHLLOKOSA-N 404.963 5.072 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(OC(C)C)c1)CC(C)(C)O2 225683950 GOSISDHXGKCEGI-IBGZPJMESA-N 400.544 5.071 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(F)cc2)c1 408698024 LDASGEXRIDXCGB-UHFFFAOYSA-N 414.484 5.559 0 40 HKAB CCOc1cc(Cl)c(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OCC 408903243 WIJBNWGYFWVQQN-WOJGMQOQSA-N 403.887 5.378 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)c1 409006989 MKGKKEFFLKODPE-UHFFFAOYSA-N 419.506 5.149 0 40 HKAB O=C(CSCc1c(F)cccc1Cl)NCCSCc1ccccc1Cl 409410462 NCHVFLXHTAOTBL-UHFFFAOYSA-N 418.386 5.415 0 40 HKAB Cc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1cccs1 1380101 KEKAUSMREANUGI-NRFANRHFSA-N 408.523 5.096 0 40 HKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(C)c(C)c1 1911811 UJVCJTAXGKMFGU-UHFFFAOYSA-N 413.926 6.114 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2)sc(C)c1-c1ccccc1 1944149 NQHWLSNPKPJRNO-UHFFFAOYSA-N 423.534 5.535 0 40 HKAB Brc1ccc(-c2nc(Oc3ccccc3)cc(-c3ccccc3)n2)cc1 2049930 NUKDKKFNBPESNR-UHFFFAOYSA-N 403.279 6.365 0 40 HKAB Cc1ccccc1-c1cc(C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1 2083785 GJDXPWZRTAOWBH-UHFFFAOYSA-N 407.300 6.769 0 40 HKAB Cc1cc2c(cc1C)N(C(=O)c1cccc(F)c1)C(C)(C)c1ssc(=S)c1-2 2229880 VPWMAMXANRWGDH-UHFFFAOYSA-N 415.580 6.858 0 40 HKAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C(F)(F)F)oc2cc1OC(C)C 2257264 IOORRVRISADQTH-UHFFFAOYSA-N 420.383 5.557 0 40 HKAB c1ccc(-c2ccc(Oc3nc4ccccc4n4c(-c5ccccc5)nnc34)cc2)cc1 2376314 MPEPMKHJSUZKRU-UHFFFAOYSA-N 414.468 6.404 0 40 HKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)c1ccc(Cl)c(Cl)c1 2388436 AJEKQAREFUYNGT-UHFFFAOYSA-N 409.363 5.852 0 40 HKAB O=C(O[C@]1(C(F)(F)F)C(=O)N(c2ccccc2)c2ccccc21)c1ccc(F)cc1 3198123 UDPBHNMPDUCWOJ-NRFANRHFSA-N 415.342 5.119 0 40 HKAB Cc1nc(NC(=O)Nc2ccc(Cl)cc2)sc1Cc1ccc2c(c1)OCO2 3208135 BUHNJHQOEBLKAJ-UHFFFAOYSA-N 401.875 5.068 0 40 HKAB Cc1ccc(C)c(NC(=S)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 3346864 OVDUCGQSHUBVQG-SFHVURJKSA-N 403.551 5.603 0 40 HKAB CCOc1ccccc1N(C(=O)Cc1ccc(OC)cc1)c1nc2ccccc2s1 3347536 ZURXCCHOOJBQPB-UHFFFAOYSA-N 418.518 5.611 0 40 HKAB C[C@H](NC(=O)[C@@H](C)Sc1ncc(C(F)(F)F)cc1Cl)c1ccc(F)cc1 3457393 WTTNNYVIQCXPET-VHSXEESVSA-N 406.832 5.251 0 40 HKAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cc2ccccc2o1 4554936 GCPDGNIHJJMMNH-UHFFFAOYSA-N 404.878 6.615 0 40 HKAB CCc1ccc(N(CC(=O)c2ccc(C3CCCCC3)cc2)C2=NCCCS2)cc1 4614672 ZHKCUHBYNPSNIS-UHFFFAOYSA-N 420.622 6.479 0 40 HKAB C[C@H](CCc1ccccc1)Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl 4927282 LPFJKZPFIMEUIY-SGGRRFJASA-N 411.977 5.255 0 40 HKAB Brc1cnc2nc(NC3CCCCC3)c(NC3CCCCC3)nc2c1 5390750 VTSZNKHSZVZNIC-UHFFFAOYSA-N 404.356 5.277 0 40 HKAB CCOc1ccc(Oc2c(C)oc3cc(O[C@@H](C)c4ccccc4)ccc3c2=O)cc1 5543921 YIXONLSWKJRORC-KRWDZBQOSA-N 416.473 6.432 0 40 HKAB Cc1ccc(C(=O)O)c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 5750348 HPXKTTVKSDHAKA-UHFFFAOYSA-N 402.475 5.531 0 40 HKAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@H]3CCCc4ccccc43)o2)cc1C 5779282 ZIACNDWQTCJCLG-OXQOHEQNSA-N 407.539 5.028 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C(C)C)cc4)c3)nc2c1 5954076 NMGSXFCCOAMJSG-SFHVURJKSA-N 412.533 7.384 0 40 HKAB Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)c1cc2ccccc2o1 5960485 APZQUEXAYCKHEY-UHFFFAOYSA-N 404.853 5.899 0 40 HKAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)c1C 6215507 IWGSVWYFZCFABH-IBGZPJMESA-N 400.478 5.087 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)c3ccccc3n2)cc1 6232880 CXSYCPSETNAMIO-UHFFFAOYSA-N 402.881 6.125 0 40 HKAB CC(C)n1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)c2ccccc21 6348018 LMPOZIUBPVGVNT-CIAFOILYSA-N 404.491 5.141 0 40 HKAB CCOc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccccc2)cc1 6418633 PJIXDSRWAVEJMR-UHFFFAOYSA-N 415.518 5.308 0 40 HKAB CCOc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccc(C)cc32)cc1OCC 6601859 OWIRNVWSQZPSQB-UHFFFAOYSA-N 413.521 5.535 0 40 HKAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 6615839 JFMRURNFWUDEFS-UHFFFAOYSA-N 417.292 6.100 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1Cc1ccccc1 7922517 ZGKMFGZRBUERJD-GOSISDBHSA-N 415.562 5.519 0 40 HKAB Oc1nc(SCc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)nc(=S)[nH]1 8034228 RGHGLIUDJMATHB-UHFFFAOYSA-N 423.561 5.799 0 40 HKAB in-vitro COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2cccc(C)c2)cc1 9428670 IQKXVEQJWWKTEB-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB C[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 9684478 JQLWNJQFDQJZIX-SNVBAGLBSA-N 417.462 5.349 0 40 HKAB CCN(CC)C(=O)c1cccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1 9716589 FWVDBMWTGKNOLQ-UHFFFAOYSA-N 424.504 5.031 0 40 HKAB Cc1ccccc1OCCCCn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 11667342 HGCWSMVXTHKIFH-IBGZPJMESA-N 417.509 5.288 0 40 HKAB O=C1Nc2ccccc2/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 12469971 BNYFMRMGMKHGDV-UNOMPAQXSA-N 424.269 5.660 0 40 HKAB CN(Cc1ccccc1N1CCCC1)C(=O)COc1ccc(Nc2ccccc2)cc1 12568106 AHWUBBNXNMXLPR-UHFFFAOYSA-N 415.537 5.068 0 40 HKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 12825158 RDTQYJGDHCOUJC-UHFFFAOYSA-N 421.516 5.449 0 40 HKAB Cc1nc(NC(=O)COc2ccc(Cl)cc2Br)c(Cl)cc1Cl 12909752 DXKFOYJMAMADFA-UHFFFAOYSA-N 424.509 5.130 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(-c3cccs3)c(-c3cccs3)n2)cc1C 13566457 WBOIRWPRONVTQT-UHFFFAOYSA-N 423.588 5.920 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2Cc2cccc(Cl)c2)cc1 13597264 GWLNEVQLZCIYQC-INIZCTEOSA-N 419.912 5.238 0 40 HKAB COc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)cc1Cl 16226894 MTFTXMMXUMYFNM-UHFFFAOYSA-N 419.955 5.442 0 40 HKAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2c1 18019532 HRONMOOCLDAWLJ-UHFFFAOYSA-N 409.294 5.421 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1cccc(-c2ccc(CO)o2)c1 20145388 CORZGLFFSJQAOK-JLHYYAGUSA-N 403.409 5.490 0 40 HKAB Cc1cc(C(=O)O)ccc1NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1 20150935 CWBGQPCPTMHPMC-JXMROGBWSA-N 416.260 5.912 0 40 HKAB CCc1ccc(Cc2nnc(SCC(=O)Nc3cccc4ccccc34)o2)cc1 20197093 CPBFWNACYRPKIJ-UHFFFAOYSA-N 403.507 5.107 0 40 HKAB Cc1c(C)n(-c2ccccc2Br)c2ncn3nc(-c4ccccc4)nc3c12 21801659 YSTLUTVUXWTWQS-UHFFFAOYSA-N 418.298 5.115 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cccnc1Nc1ccccc1Br 22072294 KQRAZEANWLDLHM-UHFFFAOYSA-N 402.679 5.493 0 40 HKAB COc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)cc1OCc1ccncc1 24775216 ZFJIXOYWVUJNRI-HSZRJFAPSA-N 424.928 5.450 0 40 HKAB Cc1noc([C@@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2C2CCCC2)n1 24841402 OWUZMPHFGKWLCR-CQSZACIVSA-N 411.575 5.902 0 40 HKAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(-n2cccn2)cc1C(F)(F)F 32817227 BPCMACQTEQPIDK-UHFFFAOYSA-N 414.214 5.379 0 40 HKAB O=C1N/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1ccccc1F 35647268 UGAAYKDLJFYLHK-VGOFMYFVSA-N 400.784 5.390 0 40 HKAB COC(=O)c1ccc(C(=O)N2CC[C@@H](C)Sc3ccc(C(F)(F)F)cc32)cc1 36397774 YQGPVOFDUQRWGL-GFCCVEGCSA-N 409.429 5.023 0 40 HKAB C[C@@H]1C/C(=C\c2cccs2)C2=NN(C(=O)c3ccncc3)[C@@H](c3cccs3)[C@H]2C1 38204110 DBOVRNHDBFCWEW-ARHCPFILSA-N 419.575 5.887 0 40 HKAB CC(C)c1ccc(CCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 39755629 AYSMMPNEODOTNA-UHFFFAOYSA-N 416.968 5.173 0 40 HKAB CCOc1ccccc1-c1nnc(S[C@H](C)c2nnc(-c3ccc(OC)cc3)o2)o1 39983726 LOGRPDIVMNZGLW-CYBMUJFWSA-N 424.482 5.047 0 40 HKAB CC(C)Oc1nn(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)c(=S)s1 40158207 OSBLMGCOXQJAKS-UHFFFAOYSA-N 403.495 5.102 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)N(Cc1ccsc1)Cc1ccco1 42382129 VQAXDMDAKXOQCU-UHFFFAOYSA-N 402.519 5.843 0 40 HKAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 44933173 MYTWDVLCZPIJSW-WBVHZDCISA-N 421.368 5.091 0 40 HKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(F)c(C)c3)oc12 67295790 VONYTDPRKSNSRS-PNHLSOANSA-N 417.440 5.077 0 40 HKAB CC(C)CN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 72215584 RZIGLTZGQONSIA-OAQYLSRUSA-N 401.595 5.949 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72229982 FGPRPWJMHQWTAN-FQEVSTJZSA-N 402.277 5.336 0 40 HKAB Cc1nc(-c2c[nH]c(C(=O)N[C@H](c3ccc(Cl)cc3)c3ccsc3)c2)cs1 84274928 QYWAVIVWDIDQAW-LJQANCHMSA-N 413.955 5.681 0 40 HKAB CCOC(=O)c1sc(N(CC)C(=O)CC(c2ccccc2)c2ccccc2)nc1C 84779689 USUPULAADLRIMY-UHFFFAOYSA-N 422.550 5.203 0 40 HKAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OCC(=O)O[C@H](c1ccccc1)[C@H](C)c1ccccc1 86053376 YPMQXOFDCXSPCT-XWSMLBJQSA-N 408.582 6.552 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 95482413 UVOGDENFRDRHHX-MRXNPFEDSA-N 422.337 5.231 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccn(-c3ccc4ccc(-c5ccc(F)cc5)cn34)n2)c1 96038145 IKZGJPUGANHGMM-UHFFFAOYSA-N 424.479 5.800 0 40 HKAB CC(C)n1c2ccccc2c2c1cc(C(=O)Nc1cccc(F)c1)n2C(=O)N(C)C 96146436 IWRFRQJJXBDULX-UHFFFAOYSA-N 406.461 5.098 0 40 HKAB O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(Cl)cc1 100519902 UBCQNAYMIJJLRK-BIPCEHGGSA-N 401.293 5.009 0 40 HKAB COc1ccc2c(c1)NC(C)(C)c1ss/c(=N/c3ccc(C)c(Cl)c3)c1-2 100529539 KFZOUGJVNAEBJU-ZBJSNUHESA-N 402.972 6.340 0 40 HKAB C[C@H]1[C@H]2[C@@H]3OC[C@@]1(COC(=O)NC1CCCCC1)[C@H](C)C[C@@]2(C)Oc1ccccc13 100740638 HTEHTVFZNJDZHV-RPHKZYAHSA-N 413.558 5.246 0 40 HKAB Cc1ccc(COc2ccc3ccccc3c2CNc2ccc(Cl)cc2Cl)cc1 106975261 WFHJWZQMVHNEGW-UHFFFAOYSA-N 422.355 7.646 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](OC(=O)c5cccs5)CC[C@@]43C)[C@@H]1CCC2=O 118926630 RUXMZJKPKQJENT-YNULJPEOSA-N 400.584 5.885 0 40 HKAB C[C@H]([C@H]1CC[C@@H](C)CN1)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118932687 PNCADIYJKRZFGU-DWIBVDALSA-N 417.678 5.001 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2ccccc2)cc1 138015395 VKYIMGZAPQLVCI-UHFFFAOYSA-N 404.473 5.648 0 40 HKAB Cc1cc2ncn(CCC(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)c2cc1C 141576602 YKHMRTLZLVCBEE-HXUWFJFHSA-N 404.558 5.056 0 40 HKAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4cc(Cl)c(Cl)cc4Cl)cn1c23 223095335 LTIZZWCMAWNBNQ-SECBINFHSA-N 407.684 5.331 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc4c5c(cccc35)CC4)cc2)cc1 223459320 TYRVLNHISYIRMM-UHFFFAOYSA-N 409.554 6.791 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)cc2)c1 224056880 VFTHWOHVAASGAZ-UHFFFAOYSA-N 400.187 5.450 0 40 HKAB COc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccccc1C(C)C 224227017 AGORWSBXUIEFOE-UHFFFAOYSA-N 403.522 5.370 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1ccccc1 224362521 QOUOMIRPFPZYJA-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1CSc1ccc(Cl)cc1 224677230 GLUHKISOTWBPPB-UHFFFAOYSA-N 403.975 5.903 0 40 HKAB CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 225034655 QLQZGANGKMNDKX-XMMPIXPASA-N 409.570 5.261 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225266792 KTMIPBDXCJAYCO-UHFFFAOYSA-N 416.695 6.442 0 40 HKAB CC1CCN(CCCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1 225504183 PKLGJKPEZQZPNZ-UHFFFAOYSA-N 420.597 5.638 0 40 HKAB Cc1ccc(SCCCNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225588743 QGKWKYDHCZNMIC-UHFFFAOYSA-N 400.613 5.785 0 40 HKAB Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3cccc(Br)c3)oc12 226270583 XUFAKPNJMUZFQW-UHFFFAOYSA-N 413.193 5.091 0 40 HKAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccc(Cl)cc1Cl 408564041 XEYFKOUTGKEPFX-ATJXCDBQSA-N 405.350 5.901 0 40 HKAB S=C(c1cn(Cc2ccccc2)c2ccc(Br)cc12)N1CCCCC1 409195270 OANYNPMVDPIMPM-UHFFFAOYSA-N 413.384 5.614 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1C 409380271 AWHYNGGRWVKJBF-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB C[C@H]1Oc2cccc(-c3cccc4c3P(C(C)(C)C)[C@@H](C)O4)c2P1C(C)(C)C 1772768958 GDRJABGDYUOXJB-HMLYOGAWSA-N 414.466 6.642 0 40 HKAB Cc1cccn2cc(-c3ccc(NS(=O)(=O)c4cccc5ccccc45)cc3)nc12 629600 PSDAGGTXTBNVMB-UHFFFAOYSA-N 413.502 5.264 0 40 HKAB COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)cc1Cl 691615 YNMKSINSZKOYGC-UHFFFAOYSA-N 415.946 5.452 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccc(F)cc3)C3CCCC3)cc2c1 874684 RBYNHKWIDBJYMA-UHFFFAOYSA-N 423.557 5.371 0 40 HKAB COc1ccccc1-n1c(SCCC(C)C)nc2sc3c(c2c1=O)CCC3 986203 KZBDGIAPMPBXAQ-UHFFFAOYSA-N 400.569 5.083 0 40 HKAB CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4ccc(Cl)cc4)cc3n2)cc1 994108 CBFLPEGVLGBFCI-UHFFFAOYSA-N 406.873 5.009 0 40 HKAB O=C(CSCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc2ccccc2c1 1107238 HIUDNKNQXJKRSQ-UHFFFAOYSA-N 411.526 6.061 0 40 HKAB CCc1cc([C@H](c2ccc(Cl)cc2)N2CCCC2)c(NC(=O)c2ccccc2)s1 1298733 KUODAOXXMGDQLW-QFIPXVFZSA-N 424.997 6.401 0 40 HKAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(C(=O)c1cccs1)c1cccc(F)c1 1376092 PYOMFWATUKJPAT-JOCHJYFZSA-N 422.525 5.334 0 40 HKAB C1=C(c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C[C@H]2CCCC[C@@H]2C1 1563597 CPEYWROBUIDLPI-CLJLJLNGSA-N 424.584 7.828 0 40 HKAB CCCCCSc1nnc2c(n1)O[C@H](c1ccc(OC)cc1)Nc1ccccc1-2 2084375 OULZSNYRXSLCFI-HXUWFJFHSA-N 408.527 5.333 0 40 HKAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2cccc(C)c2)CO4)cc1 2122244 POACITFBYLULQM-UHFFFAOYSA-N 413.473 5.442 0 40 HKAB biogenic CCCCOc1ccc(C(=O)Oc2ccc(C)cc2-n2nc3ccccc3n2)cc1 2193299 OMKYBAOEWFZJBR-UHFFFAOYSA-N 401.466 5.127 0 40 HKAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1c(Cl)cccc1Cl 2195058 MBRHLBQTAYCGBD-CJAUYULYSA-N 402.258 5.081 0 40 HKAB COc1ccc(-c2cc(-c3cccs3)nc3sc(C(C)=O)c(N)c23)cc1OC 2247993 XVEZLTNWVHXDPT-UHFFFAOYSA-N 410.520 5.494 0 40 HKAB Cc1ccc(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)cc1Cl 2617390 FUBJGUYIURMIHP-UHFFFAOYSA-N 407.941 6.777 0 40 HKAB Cc1sc2nc([C@H](C)Sc3nc(-c4ccc(F)cc4)cs3)[nH]c(=O)c2c1C 3533974 ADOHHRUBLGSZBI-NSHDSACASA-N 417.556 5.717 0 40 HKAB O=S1(=O)c2ccccc2N[C@H](c2cccc3ccccc23)N1Cc1ccccc1 3633508 BCARMYNXHXPWIS-DEOSSOPVSA-N 400.503 5.155 0 40 HKAB Cc1cccc(-c2nnc(NC(=O)c3cc(Br)ccc3Cl)s2)c1 4079057 WTEQYKSLVNHDKW-UHFFFAOYSA-N 408.708 5.182 0 40 HKAB Cc1ccc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)c1 4148302 CRNRAFJIXHPXQH-UHFFFAOYSA-N 405.519 5.882 0 40 HKAB O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccc(Br)cc1 4154559 ZQQHZWWIVONHNI-UHFFFAOYSA-N 400.272 5.092 0 40 HKAB COc1ccccc1/C=C1\CCC[C@H]2C1=NN(c1ccccc1)[C@H]2c1ccccc1OC 4257770 XBAGCNXOKBXQSH-ZAOPCJGCSA-N 424.544 6.505 0 40 HKAB Cc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)c(C)c1 4703905 WBINMEUFVZSCCW-UHFFFAOYSA-N 414.505 6.054 0 40 HKAB CC(C)(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccco1)c1ccccc1 4933837 QAFUTIIBJCKSDT-FQEVSTJZSA-N 410.901 5.236 0 40 HKAB Cc1ccc2sc(N(Cc3ccccn3)C(=O)c3ccc(N(C)C)cc3)nc2c1C 5265432 XKXZSMGCUSLSTA-UHFFFAOYSA-N 416.550 5.221 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 5527499 NMSYRUNIBNSFBG-UHFFFAOYSA-N 409.294 5.386 0 40 HKAB COc1ccc(-c2nc3c4c5c(sc4ncn3n2)C[C@@H](C(C)(C)C)CC5)cc1OC 5576369 KHKXCDKNRRKERY-AWEZNQCLSA-N 422.554 5.174 0 40 HKAB CCOP(=O)(OCC)[C@H](NC(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 5600661 MDBYYDHCBFOTMF-SFHVURJKSA-N 410.838 5.735 0 40 HKAB CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccco1 6356525 FRKYYSSPMRQJTO-UHFFFAOYSA-N 416.591 5.144 0 40 HKAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1Cc1ccccc1 6849434 OOZZXCJLXSWIMS-UHFFFAOYSA-N 402.494 5.721 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)CCNC(=O)c3ccccc3Cl)cc2)c1 6997686 HRRAFOHNCIXVSE-UHFFFAOYSA-N 408.885 5.199 0 40 HKAB COc1ccc(NC(=O)[C@H](Sc2nnc(C3CC3)o2)c2ccccc2)cc1Cl 7288607 BZWQONUNHXWIKB-QGZVFWFLSA-N 415.902 5.081 0 40 HKAB CCc1cc2c(=O)c(-c3nnc(-c4ccccc4)s3)c(C(F)(F)F)oc2cc1O 8861639 CKFSHICTFPRJDC-UHFFFAOYSA-N 418.396 5.265 0 40 HKAB CCCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 9139507 FHBKRHITDPCYGX-UHFFFAOYSA-N 421.353 5.393 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2nnc(SCc3ccc(C(F)(F)F)cc3)s2)c1 9366668 HJNWNXCKGKBEHP-UHFFFAOYSA-N 423.485 5.718 0 40 HKAB CCc1ccc([C@H](NCC(=O)Nc2ccc(N3CCCC3)cc2)c2cccs2)cc1 12568177 SWWZJBLJSOEHTK-VWLOTQADSA-N 419.594 5.228 0 40 HKAB C[C@H]1CCc2c(sc3nc(-c4cccnc4)nc(Sc4nnc(C5CC5)o4)c23)C1 12792549 IALJJZOFTIGSSM-NSHDSACASA-N 421.551 5.290 0 40 HKAB O=C(CCc1nc(-c2ccco2)no1)Nc1ccccc1Oc1ccccc1Cl 12948852 KKKDGWKPPGEDLR-UHFFFAOYSA-N 409.829 5.347 0 40 HKAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1ccccc1C(F)(F)F 12993027 RGLPFQKOSJWMEJ-UHFFFAOYSA-N 402.397 5.505 0 40 HKAB C[C@H](NC(=O)c1cccc(Cl)c1)c1nc2ccccc2n1Cc1ccccc1F 13646777 AIMNAEMXBSMSHR-HNNXBMFYSA-N 407.876 5.368 0 40 HKAB O=C(COc1ccccc1Cl)Nc1cc(-c2nc3ccccc3o2)ccc1Cl 13946091 YVUSGCHDEVZFBL-UHFFFAOYSA-N 413.260 5.819 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)Cn1nc(/C=C/c2ccccc2)[nH]c1=S 14186834 JTCXGNLTJQICHM-LHNRBYRGSA-N 407.568 5.371 0 40 HKAB Cc1c(C(=O)NCC(=O)Nc2cc(Cl)ccc2Cl)oc2c(Cl)cccc12 15317452 GLIXMMLQTNIFNM-UHFFFAOYSA-N 411.672 5.070 0 40 HKAB Cc1cc(C)cc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c1 15880719 KVOUJTHZAXDQHC-UHFFFAOYSA-N 414.918 5.239 0 40 HKAB O=C(C1CCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3Cl)CC[C@@H]21 19349217 PWHSVDKMDIYDPZ-ONTIZHBOSA-N 415.002 5.018 0 40 HKAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1cccc(-c2cc3ccccc3oc2=O)c1 20143667 BLORTRLMLBSXPP-UHFFFAOYSA-N 419.820 5.064 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 20486373 OOMHWSPDFASVST-UHFFFAOYSA-N 418.729 5.305 0 40 HKAB Clc1cc(Br)ccc1-c1ccc(CNCc2ccc3c(c2)OCO3)o1 20875654 GAGHTLBHXHZSFO-UHFFFAOYSA-N 420.690 5.381 0 40 HKAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 21787297 LPHGDNRJZRQGJG-OAQYLSRUSA-N 411.933 5.232 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1nc3ccccc3s1)CC2 23983782 WYJVZWUORUDPGY-HSZRJFAPSA-N 422.575 5.523 0 40 HKAB COc1cccc(-c2nc(COc3ccc(F)cc3Br)cs2)c1OC 24725411 BGLRGRAPYKIJOG-UHFFFAOYSA-N 424.291 5.308 0 40 HKAB CC(C)c1noc([C@@H](C)Sc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)n1 24829552 NOKRENZBVLTEJN-CQSZACIVSA-N 409.490 5.433 0 40 HKAB COc1cccc(N(Cc2cccs2)C(=O)c2ccccc2Br)c1 27664308 BMBCDVVXZAXCLS-UHFFFAOYSA-N 402.313 5.366 0 40 HKAB Cc1ccc(-c2ccc(-c3csc(NC(=O)COc4ccc(F)cc4)n3)s2)cc1 27913701 OIDRKGVRDGDJGQ-UHFFFAOYSA-N 424.522 6.004 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 33672251 QFCYCRWEYGNGJI-UHFFFAOYSA-N 418.537 5.640 0 40 HKAB CC(C)c1nc(SCC(=O)Nc2ccccc2C(F)(F)F)c2ccccc2n1 35290923 TUFLNQNRJPZAOG-UHFFFAOYSA-N 405.445 5.503 0 40 HKAB O=C(CN1CC=C(c2ccccc2)CC1)N1CCc2sccc2[C@H]1c1cccs1 40020173 QSQXFUFQUDWOAV-DEOSSOPVSA-N 420.603 5.073 0 40 HKAB O=C(c1csc(-c2ccc(F)cc2)n1)N(Cc1c(F)cccc1Cl)C1CC1 40033830 DQHBEGQLHYOYNA-UHFFFAOYSA-N 404.869 5.547 0 40 HKAB COc1ccc(C)cc1NC(=O)CSCc1csc(-c2ccccc2Cl)n1 40060183 FKAFBNRYBUSYRR-UHFFFAOYSA-N 418.971 5.652 0 40 HKAB CCCCc1ccc(NC(=O)COc2ccc(C(C)C)cc2Br)cc1 40942477 VDUOTLDORCBUJL-UHFFFAOYSA-N 404.348 5.933 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079076 WTMDFOZIWXQSKL-UHFFFAOYSA-N 408.860 5.324 0 40 HKAB Cc1c(C(=O)Nc2cccc(C(=O)Nc3ccccn3)c2)oc2ccc(Cl)cc12 58161448 AQOLHRGWHXCMKZ-UHFFFAOYSA-N 405.841 5.294 0 40 HKAB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 65322209 LLWHJGTYVGRBEF-UHFFFAOYSA-N 410.949 5.338 0 40 HKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(C(C)C)cc3)oc12 67295842 DDBIAQRSMJSIKP-LVWGJNHUSA-N 419.506 5.506 0 40 HKAB Cc1cccnc1Nc1ccc([C@@H]2CCCN(Cc3c(C)nn(C(C)C)c3C)C2)nc1 72353462 MAEKXJYLSHDKNJ-OAQYLSRUSA-N 418.589 5.302 0 40 HKAB C[C@H]1Cc2cc(S(=O)(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc2N1 78404118 JKPNXOAHTIMPQK-AWEZNQCLSA-N 414.914 5.290 0 40 HKAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCOc1cc(C)ccc1C(C)C 82086499 YHIRPLDJKRCNFV-HSZRJFAPSA-N 405.542 5.231 0 40 HKAB Cc1csc(SCC2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)n1 90608139 RNXHDZWPDQKMBD-UHFFFAOYSA-N 416.399 5.795 0 40 HKAB O=[S@@](Cc1cccc(C(F)(F)F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1 95948446 GSLVZPHYLHPMBX-MUUNZHRXSA-N 410.407 6.022 0 40 HKAB CC1(C)C[C@@H](NC(=O)CSCc2ccc(Cl)c(Cl)c2)c2ccccc2O1 222730991 GGCZSKXQRCLJBH-QGZVFWFLSA-N 410.366 5.645 0 40 HKAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 222887730 RVQJYIQOUBDXBW-HSZRJFAPSA-N 408.542 5.061 0 40 HKAB Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223108199 PVINMNAGFZMGNV-XZOQPEGZSA-N 420.557 5.317 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2ccc(C)c(C)c2)c1 224291341 XKFPNCYARMHFOS-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(CSc2ccccc2)c1 224330744 GZKPLNQXBZMRQR-UHFFFAOYSA-N 405.563 6.365 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1CSc1ccc(C)cc1 224663748 LCLYUEMYUDSDGE-UHFFFAOYSA-N 407.535 5.947 0 40 HKAB C[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C(C)(C)C)cc1 225405370 KAQZNLNGUHINQR-LBPRGKRZSA-N 414.924 6.704 0 40 HKAB C[C@@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1 225520135 NQGHIDFROLVGET-HXUWFJFHSA-N 424.560 5.387 0 40 HKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225711952 RTQGOWVDZJDVFU-XMMPIXPASA-N 422.613 5.249 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2cccnc12 225876975 GBRHPFBRAXIAHF-UHFFFAOYSA-N 424.928 5.362 0 40 HKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)c(OC)c1 225934151 NJGQBMAMFWMNEG-UHFFFAOYSA-N 407.897 5.033 0 40 HKAB CCOc1ccc([C@H]2C[C@H]3[C@H](O[C@@H]2C)c2cc(CC(=O)O)ccc2OC3(C)C)cc1 257331157 XRQMSLVUDCMOKW-RBGVZINVSA-N 410.510 5.133 0 40 HKAB COc1ccccc1NC(=O)CSc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 408551641 DXGULJGPUAVYDG-UHFFFAOYSA-N 401.572 5.727 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3C)cc2-c2cccc3ccccc23)c1 408724102 FIDDWKKRMWASFA-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB Cc1cccc(COc2ccc3ccccc3c2/C=C2/SC(=O)N(C(C)C)C2=O)c1 409022069 ITICEZXJGZDNNZ-OEAKJJBVSA-N 417.530 6.172 0 40 HKAB O=C(CC[C@H](O)c1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 409194920 FVXUTQDJHWWPPB-NRFANRHFSA-N 414.530 5.929 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN1c1nc2ccccc2o1 675007751 NBLRBZGBQHGJFG-QFIPXVFZSA-N 413.477 5.014 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc1 660132 ACHROWRSANBZPT-ZDUSSCGKSA-N 407.564 6.373 0 40 HKAB COc1ccc([C@@H](CCN(Cc2ccccc2)C(C)=O)[C@H]2CCOC(C)(C)C2)cc1 915278 CIXLOJIXHJGRAX-UKILVPOCSA-N 409.570 5.423 0 40 HKAB CCOc1ccc(N[C@@H](NC(=O)Nc2ccccc2)C(Cl)(Cl)Cl)cc1 1233921 RSRQHYZHKSXEPJ-HNNXBMFYSA-N 402.709 5.015 0 40 HKAB COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(ccc4ccc(O)cc34)O2)cc1 2357955 QEMBIJMXSALSNQ-UHFFFAOYSA-N 410.469 5.912 0 40 HKAB O=c1[nH]c(Cc2ccc(Cl)cc2Cl)nc2scc(-c3ccc(F)cc3)c12 2637179 RHHONDSMMPMESU-UHFFFAOYSA-N 405.281 5.688 0 40 HKAB O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1 2723678 WUXLEDSCHCEGNE-UHFFFAOYSA-N 411.836 5.275 0 40 HKAB Cc1cccc(-c2nsc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)c1 2917546 ZJZVKNDSDFBYCE-UHFFFAOYSA-N 409.458 5.263 0 40 HKAB O=C(Nc1ccc(CSc2cccc(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1 3117038 QWYHPFOMJRGPBX-UHFFFAOYSA-N 421.871 6.903 0 40 HKAB O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1CSc1ccccc1Cl 3133637 UVTYYDYLBGMSIQ-UHFFFAOYSA-N 413.325 7.263 0 40 HKAB CCc1cccc(CC)c1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 3288882 UCMFAQRWGCNUGY-UHFFFAOYSA-N 416.521 5.034 0 40 HKAB O=C(CSc1cn(Cc2ccc(Cl)cc2)c2ccccc12)NCc1ccco1 3581860 MOTHMMWDSXPZAG-UHFFFAOYSA-N 410.926 5.345 0 40 HKAB Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c1C 4070406 XFQRPBMKHKRBEE-UHFFFAOYSA-N 406.338 5.998 0 40 HKAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cccc(Cl)c1 4800578 QXNFFCXZHXNWQS-UHFFFAOYSA-N 407.326 5.003 0 40 HKAB O=C(Nc1ccccc1Br)c1cc2sccc2n1Cc1ccccc1 4970928 BDRHBFLGASRPOX-UHFFFAOYSA-N 411.324 5.766 0 40 HKAB CCCCSc1nc(NCCCN(C)C)c2c3c(sc2n1)CO[C@](C)(CC)C3 5164880 KYXAJDYQBKXAKG-OAQYLSRUSA-N 422.664 5.189 0 40 HKAB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1cccc(Cl)c1)c1ccccc1 5269975 HZZDZWULGHKTQZ-UHFFFAOYSA-N 410.256 6.019 0 40 HKAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 5321628 BXFORZOQVWQYFP-UHFFFAOYSA-N 410.256 6.019 0 40 HKAB Cc1cccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)c1 5458506 DUTDQQWIKOWTKM-RBBKRZOGSA-N 418.338 6.254 0 40 HKAB Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(Br)c2)cc1 6143790 UWXWEGADBQMCBA-UHFFFAOYSA-N 419.257 5.537 0 40 HKAB CCCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 7261639 OPWGDDKTIFAXFD-UHFFFAOYSA-N 416.776 6.514 0 40 HKAB CC(C)[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccc(F)cc1 8003882 FHPJRVUWDOFEPD-DEOSSOPVSA-N 419.500 5.003 0 40 HKAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1nnc(-c2cccs2)o1 8312081 YVNIFKUHXWSXIY-CYBMUJFWSA-N 409.540 5.169 0 40 HKAB Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1C(C)(C)C 8334036 LFWIUKJPCSNGGP-WOJGMQOQSA-N 402.947 5.750 0 40 HKAB O=C(Nc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1)c1ccccc1 8470883 VBTSUFSVMUBJMM-UHFFFAOYSA-N 408.457 5.984 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1SCc1ccsc1 8719513 ZJSNSVWLQOYTCR-HNNXBMFYSA-N 424.616 6.483 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1 8738089 UHHQQPVERSKSSS-UHFFFAOYSA-N 413.717 5.733 0 40 HKAB CC(=O)Nc1ccc(NC(=O)[C@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)cc1 9419294 BPOQUAPBYYMITH-CYBMUJFWSA-N 405.885 5.675 0 40 HKAB COc1ccccc1N(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccc1C 9461827 XXNRGZHXWYQZFI-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB Cc1cc(NC(=O)COc2ccccc2Cl)ccc1-c1cc2ccccc2oc1=O 10128884 MBOJUIMHLDSBAA-UHFFFAOYSA-N 419.864 5.439 0 40 HKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccc(C)cc2)cc1 12193941 NDPODGWHPXUKKL-ISKFKSNPSA-N 423.343 6.853 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@@H]1c1nc2ccccc2s1 12799637 LWRYFUGQLGREDD-OAHLLOKOSA-N 407.322 5.346 0 40 HKAB COc1ccccc1N(C(C)=O)c1nc(COc2cc(C)ccc2Cl)cs1 12978453 BXDLINDSXNOABW-UHFFFAOYSA-N 402.903 5.377 0 40 HKAB CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2)cc1 13619125 CEOPMQHNYRROHC-UHFFFAOYSA-N 412.489 5.082 0 40 HKAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)/C=C/c1ccc(-c2ccccc2F)o1 14068640 SFHPJIUFXXXLHO-WYMLVPIESA-N 415.468 5.002 0 40 HKAB Cc1ccc(-c2csc(NC(=O)[C@@H](c3ccccc3)N3CCC(C)CC3)n2)cc1 14129689 RKIJUGAZATYPGW-JOCHJYFZSA-N 405.567 5.530 0 40 HKAB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1cccc2c(Cl)cccc12 17087565 KGRQDBSWFSGADD-UHFFFAOYSA-N 406.894 5.479 0 40 HKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 20110891 ULMGALLBAXCSKA-XTOQWRRBSA-N 403.566 6.259 0 40 HKAB CCc1ccc(-n2nc3ccc(NC(=O)c4cc5ccccc5cc4OC)cc3n2)cc1 20610146 HQQZVBSZJVCBHH-UHFFFAOYSA-N 422.488 5.397 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)c4ccc(Br)cc4)ccc3o2)c1 21579064 GOJZITYWUHCRNP-UHFFFAOYSA-N 423.266 5.518 0 40 HKAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(-c2ccc(F)cc2)s1 24395766 YFQBTESSBMZZNW-UHFFFAOYSA-N 405.498 5.071 0 40 HKAB Cc1cc(C)c2cc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)[nH]c2c1C 24736663 VXRLIGXAUJKADS-UHFFFAOYSA-N 418.324 5.111 0 40 HKAB COc1ccc([C@@H](CNC(=O)c2oc3ccccc3c2C)c2c[nH]c3ccccc23)cc1 27794582 FZRVNDWZACFIMI-JOCHJYFZSA-N 424.500 5.793 0 40 HKAB O=C(c1ccc(Br)s1)N1CCc2sccc2[C@@H]1c1cccs1 32781483 FGSQSDIVNIXWLN-OAHLLOKOSA-N 410.383 5.422 0 40 HKAB Cc1cc(C)c(C)c(C(=O)CSc2nnc([C@@H](C)Oc3ccc(F)cc3)o2)c1C 32945464 GILVCYVUFYFETC-MRXNPFEDSA-N 414.502 5.557 0 40 HKAB Cc1cc(C)cc(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 33794101 OQPBHUBNYUTPSW-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CCC2=C3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C 36371742 AWYDNKRGSOPYQB-UIOWNMSWSA-N 400.691 7.779 0 40 HKAB CC(C)c1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 38833717 PGDQQUVQGBYLFY-UHFFFAOYSA-N 405.369 5.968 0 40 HKAB Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@@H](CC(C)C)c3ccccc3)C2)c1 40150848 WINPPBRWXWFDHA-GMAHTHKFSA-N 407.558 5.143 0 40 HKAB COc1ccc(-c2cnc(SCC(C)C)n2-c2cccc(C(F)(F)F)c2)cc1 44087720 NMUPQXAMSUBYDK-UHFFFAOYSA-N 406.473 6.315 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(Cl)c(C)c2)nc1 67294431 RGORRJPNSDSCRT-RWEWTDSWSA-N 419.868 5.288 0 40 HKAB Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc(F)cc1Cl 67296998 JGZAWGLGZGIQPC-VYIQYICTSA-N 406.844 6.018 0 40 HKAB O=C(Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)C(Cl)(Cl)Cl 70462068 SFAKAMUOHLDAHD-UHFFFAOYSA-N 406.052 5.163 0 40 HKAB Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)Nc1ccccc1Cn1cccn1 79104973 IKIJYFTXVDCSFM-UHFFFAOYSA-N 421.501 5.231 0 40 HKAB O=C(CCCc1nc2ccccc2[nH]1)N1CCC[C@H]1c1cccc(Br)c1 95365202 RRJJPTKTVOSNFJ-IBGZPJMESA-N 412.331 5.012 0 40 HKAB Cc1ccc(F)c(C(=O)Nc2ccccc2[C@H](C)NC(=O)c2cc(C)ccc2F)c1 95451280 OXNMQNCAIJPPKG-INIZCTEOSA-N 408.448 5.325 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@@H](C2)CC(c2csc(NC(=O)C(C)(C)C)n2)(C4)C3)cc1 102092219 CBJKCPXFFBIOPS-RIZNVZOMSA-N 408.611 6.226 0 40 HKAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1c(F)cccc1Cl 216381285 CYEDLMOYPXYAQZ-KRWDZBQOSA-N 416.345 5.340 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc(-c2ccc(Cl)cc2)nc1 222605895 OKMRNRJDYJCAJN-UHFFFAOYSA-N 401.853 5.842 0 40 HKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225022211 UTDUZXFATDPHBI-XZOQPEGZSA-N 402.567 5.096 0 40 HKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1C 225066817 BXYQAYIVOFBBPI-RUZDIDTESA-N 420.597 5.102 0 40 HKAB S=C(Nc1ccc(Br)c(Cl)c1)NC1(c2cccnc2)CCCC1 225859858 DVXOZWNHBDUGCE-UHFFFAOYSA-N 410.768 5.253 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(OC(C)C)c(Cl)c3)N21 260753027 AWSZUYBYEFKXKB-XPGWFJOJSA-N 401.963 5.502 0 40 HKAB Clc1cc(NCc2cccc(OCc3ccccc3)c2)ccc1Br 394460240 YNQUVIJQJPYPHJ-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB CCOc1cc(C(=S)NCc2ccccc2)cc(Cl)c1OCc1ccccc1 408576689 QJSYZGLKYUAFDE-UHFFFAOYSA-N 411.954 5.783 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(Cl)c3C)n2)c1 408698343 MOVYPGNZPGCWLJ-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(SCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 408907458 OMJBFTWYORYGJG-OQKWZONESA-N 407.966 6.098 0 40 HKAB CC(C)NC(=S)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408980481 RGJKVVPDLNZLTR-UHFFFAOYSA-N 410.593 5.782 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1cccc(C(F)(F)F)c1)[C@H]1Cc3ccccc3[C@H]21 408993644 DUELBAKYOFUDOV-PWRODBHTSA-N 409.407 5.875 0 40 HKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O 409054146 NCHUOOSYCMIIRS-MOSHPQCFSA-N 415.486 5.250 0 40 HKAB C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 1560411678 PYMHOBJOLDZZCV-CLGLNXEMSA-N 413.622 6.257 0 40 HKAB C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 1903857761 GMBQZIIUCVWOCD-FLCGVFMCSA-N 416.646 5.794 0 40 HKAB COc1cccc(-c2ccc3c(c2)CNCCCCCCCN3C(=O)C(C)C)c1F 2037931584 UNIFZOGKQHARER-UHFFFAOYSA-N 412.549 5.544 0 40 HKAB COc1ccc(-c2nc(-c3ccc(OC)cc3OC)[nH]c2-c2ccc(OC)cc2)cc1 706598 WCXGZTMVWQLYNY-UHFFFAOYSA-N 416.477 5.445 0 40 HKAB CCOc1ccc2c(c1)[C@@]1(C)CC(C)(C)N2C(=O)N1c1ccc(Cl)c(Cl)c1 1103174 DMGHQBGWERIGRJ-OAQYLSRUSA-N 405.325 6.236 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1 1267989 ZTLLNVDWMOJEFA-UHFFFAOYSA-N 401.466 5.205 0 40 HKAB COc1ccc(CCN(Cc2cc3cc(C)ccc3nc2Cl)C(=O)C2CC2)cc1 1339466 JCDFDTSVCKLKPA-UHFFFAOYSA-N 408.929 5.187 0 40 HKAB CN(C(=O)Cn1c(CSc2ccc(Cl)cc2)nc2ccccc21)c1ccccc1 1400652 QQBUDJLGRGALAB-UHFFFAOYSA-N 421.953 5.645 0 40 HKAB CCCCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccc(CC)cc3)coc2c1 1775089 BTSDRCVNSZVALL-MRXNPFEDSA-N 410.466 5.258 0 40 HKAB CCCCCCc1c(C)c2ccc(OCC(=O)c3ccc(OC)cc3)cc2oc1=O 2125637 HPYJUAJOGSKKAS-UHFFFAOYSA-N 408.494 5.495 0 40 HKAB biogenic Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2C)CC[C@@H](C)C3)cc1 2185824 GYMLBNOBKMNJHW-MRXNPFEDSA-N 418.562 5.994 0 40 HKAB CC[C@@]1(C)Cc2ccccc2-c2nc(SC(C)C)n(CCc3ccccc3)c(=O)c21 2209877 WZYBEVXQAXQAFD-SANMLTNESA-N 418.606 5.877 0 40 HKAB Clc1ccc(-c2nc3c4c(-c5ccccc5)c(-c5ccccc5)oc4ncn3n2)cc1 2377111 VCOLJBDLBWMHQZ-UHFFFAOYSA-N 422.875 6.525 0 40 HKAB CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@H](O)c2ccc(Cl)cc2)cc1 2403330 SKTNTCPFOKZFQS-IDISGSTGSA-N 407.878 5.350 0 40 HKAB CC(C)(C)c1ccc(CSc2nnc(-c3cnccn3)n2-c2ccccc2)cc1 2437058 MEMRPISNWNRXOG-UHFFFAOYSA-N 401.539 5.314 0 40 HKAB Cc1cc(C)cc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)c1 2714293 ARCHQAUGXAXINQ-UHFFFAOYSA-N 404.517 6.756 0 40 HKAB O=C(Nc1ccc(F)c(F)c1)Nc1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 3041272 UZQWBRJTPIRKSB-UHFFFAOYSA-N 424.234 5.126 0 40 HKAB COc1ccc(/C=C/C(=O)N(c2ccc(F)cc2)c2nc3ccccc3s2)cc1 3230988 WQNVIQSIVDWDBF-OVCLIPMQSA-N 404.466 5.822 0 40 HKAB Clc1ccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)c(Cl)c1 3274258 FFCDIILOAZFZFJ-UHFFFAOYSA-N 416.333 6.186 0 40 HKAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc2c(c1)OCO2 3300592 MHSWQOGKIGAPNB-KRWDZBQOSA-N 414.811 5.163 0 40 HKAB C[C@@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 3456233 LNUKWBUMFPZYQK-HXUWFJFHSA-N 424.500 6.710 0 40 HKAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1sc2ccccc2c1Cl 3456692 IQYOEAJAGQRWEZ-UHFFFAOYSA-N 405.262 5.615 0 40 HKAB CC(C)Cn1c([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 4033345 OCNTYSYKANQYJG-HNNXBMFYSA-N 401.432 5.232 0 40 HKAB Cc1cc(C)c(-c2nnc(NC(=O)c3ccccc3Br)s2)c(C)c1 4070369 WQLJUJHOWFXQHL-UHFFFAOYSA-N 402.317 5.145 0 40 HKAB COc1ccccc1NCc1nc2ccccc2n1CCOc1ccccc1Cl 4114839 BGJZYQHVEMCJFE-UHFFFAOYSA-N 407.901 5.389 0 40 HKAB CCOc1ccccc1C(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4162434 WTWQIXHQBVQRJZ-UHFFFAOYSA-N 400.434 5.336 0 40 HKAB Cc1cccc(-c2nc(C)c(CCNC(=O)c3ccccc3Br)s2)c1 4392487 DBSNQWVTAKAVBT-UHFFFAOYSA-N 415.356 5.162 0 40 HKAB Cc1cc(I)ccc1NC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 4653429 LYJRFOOGINBRNH-HNNXBMFYSA-N 421.322 5.540 0 40 HKAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)CSc1ccc(Cl)cc1 4688087 JUMJCGUVQCTWPW-UHFFFAOYSA-N 409.898 5.582 0 40 HKAB CCCn1c(C(O)(c2ccccc2)c2nc3ccccc3n2CCC)nc2ccccc21 4813297 VSQXJUGUHMQRNK-UHFFFAOYSA-N 424.548 5.490 0 40 HKAB Cc1ccc(C(=O)[C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 4854098 SELOHVQCYJVCBE-WIOPSUGQSA-N 416.908 5.709 0 40 HKAB COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)cc1 4866093 BRFPMBLDQMFXEB-QFIPXVFZSA-N 407.311 5.813 0 40 HKAB CCOC(=O)c1sc(N2N=C3CCCC[C@H]3[C@H]2c2ccc(OCC)cc2)nc1C 4931385 VCVCOYQFEAHTTM-IEBWSBKVSA-N 413.543 5.134 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)c1cc2sccc2n1Cc1ccccc1 4970946 YIKIGMNXWZUUQO-UHFFFAOYSA-N 400.425 6.022 0 40 HKAB CC(C)[C@@H]1Cc2c(sc3nc(SCc4ccc5ccccc5c4)nc(N)c23)CO1 5024560 SPDDCYWDOCVBHN-SFHVURJKSA-N 421.591 5.816 0 40 HKAB CCCCCCOC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 5100622 IVACHENDBMAIBV-UHFFFAOYSA-N 416.525 5.147 0 40 HKAB Cc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 5163386 LVLIJHPPBVVOJP-GBXCKJPGSA-N 418.880 5.619 0 40 HKAB O[C@@]1(C(F)(F)F)[C@@H]2CCCCCC2=NN1c1nc(-c2ccc(Cl)cc2)cs1 5275053 PMFZIXADCAPVCH-CXAGYDPISA-N 415.868 5.471 0 40 HKAB Cc1cc(C)c(C)c(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2)c1C 5548300 FKIVMPMAUYXWIC-UHFFFAOYSA-N 412.529 6.505 0 40 HKAB Cc1ccc(-c2n[nH]c(SCc3ccc(C(=O)Nc4ccccc4)cc3)n2)cc1 5866169 NRZILYGOTHXWLZ-UHFFFAOYSA-N 400.507 5.325 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccccc4)c3)nc2c1 6440210 BQMFQZMICHNDCS-QGZVFWFLSA-N 400.478 6.026 0 40 HKAB COc1cccc(OC(=O)c2ccc(COc3ccc(Br)cc3)cc2)c1 6470686 PCFMUJZDVSLZQT-UHFFFAOYSA-N 413.267 5.256 0 40 HKAB CCc1ccc2c(CC(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)coc2c1 6507970 ZUIXDLYTRFSUKB-UHFFFAOYSA-N 414.509 5.161 0 40 HKAB Cc1sc2nc(/C=C/c3cccc(C(F)(F)F)c3)[nH]c(=O)c2c1-c1ccccc1 6566954 KIDXRIPYCZANOM-ZHACJKMWSA-N 412.436 6.149 0 40 HKAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccccc2-c2nc3ccccc3s2)[C@@H]1C 6586347 ZTZXEWQQNLXIIA-MDZRGWNJSA-N 422.550 5.061 0 40 HKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(C)cc(C)c4)cc3n2)cc1 6654476 HFQKQMUCPNCFES-UHFFFAOYSA-N 412.537 5.941 0 40 HKAB O=C(COc1ccccc1)Oc1cc(-c2ccc(Cl)cc2)c2oc(=O)sc2c1 6809704 ZFYKALMHIMWPRS-UHFFFAOYSA-N 412.850 5.159 0 40 HKAB Cc1cc(OCC(=O)N(Cc2cccc(Cl)c2)Cc2ccco2)ccc1Cl 6810653 YEEYUFIVOBRCCC-UHFFFAOYSA-N 404.293 5.503 0 40 HKAB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 6920438 SGNBVLSWZMBQTH-WKPHBKBCSA-N 400.691 7.635 0 40 HKAB biogenic Clc1ccc(C[n+]2cc(-c3ccc(Cl)c(Cl)c3)n3c2CCC3)c(Cl)c1 6925873 KOQMCBVXWXNTRP-UHFFFAOYSA-N 413.155 6.051 0 40 HKAB CCCCOc1ccc2ccccc2c1/C=C(\Sc1nnc(CCC)[nH]1)C(=O)O 7342315 AOSQCEUYDHDVKD-RGEXLXHISA-N 411.527 5.307 0 40 HKAB CCc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(C)cc2)CC1=O 7543337 WLJYZKGPKZRWFP-JOCHJYFZSA-N 409.533 5.476 0 40 HKAB COc1ccc(CN(Cc2cccs2)C(=O)C2(c3ccccc3)CC2)cc1OC 7784358 AJEKKZJJRFWOQC-UHFFFAOYSA-N 407.535 5.026 0 40 HKAB CCOc1ccc([C@H](CNC(=O)C2CCCC2)c2c[nH]c3ccccc23)cc1OC 8156309 ARRPEZSFYSSEJX-FQEVSTJZSA-N 406.526 5.014 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)c1 8335535 HUBJUWXPHFTRHA-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB Clc1ccc(Oc2nc(SCc3ccccc3)nc3ccsc23)c(Cl)c1 8873074 VOARGZWPBTVYID-UHFFFAOYSA-N 419.358 7.083 0 40 HKAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc4ccccc34)C2=O)c1C 9233802 DMASJEOGOLWSIS-FYJGNVAPSA-N 416.502 5.132 0 40 HKAB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2C)c(C)c1 9281909 MKSSHLZLJGDJDD-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB OCc1cnc(SCc2ccc(Cl)c(Cl)c2)n1Cc1ccc(Cl)cc1 10019881 SRXYQCBONPFIOS-UHFFFAOYSA-N 413.757 5.676 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 11360998 MBSVYAHAKPMCOW-LBPRGKRZSA-N 419.264 5.245 0 40 HKAB C[C@H]1C[C@@H](OC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)C(=O)O1 12595786 HDLDVWWHTXLDSY-SSOJOUAXSA-N 423.468 5.430 0 40 HKAB Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(-c3ccc4ccccc4n3)cc12 12651494 HCWIUQPTXYBKDR-UHFFFAOYSA-N 412.496 6.611 0 40 HKAB COC(=O)c1ccc(CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)cc1 13095897 LZFHLDWJEHQIIT-UHFFFAOYSA-N 422.937 5.817 0 40 HKAB Cc1cc(SCC(=O)OCCOc2c(Cl)cccc2Cl)nc2ccccc12 13098256 HNQFAJSHCKIZBL-UHFFFAOYSA-N 422.333 5.564 0 40 HKAB COc1cccc(-c2cc3nc(-c4ccccc4)cc(N4C[C@@H](C)C[C@@H](C)C4)n3n2)c1 13562757 CSYWTDMTPFYAKF-KDURUIRLSA-N 412.537 5.554 0 40 HKAB C[C@H](N[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc2c(c1)OCCO2 14125509 UZGSCCYDBCQYLH-GKVSMKOHSA-N 412.489 5.214 0 40 HKAB COc1c(C)cc(Br)cc1C(=O)Nc1ccc(C(F)(F)F)cc1Cl 17093273 IEPFZAXOHKZYEB-UHFFFAOYSA-N 422.628 5.691 0 40 HKAB C[C@@H](NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)c1ccc(Cl)cc1 17959625 QFGGNMCLYQUFBA-MRXNPFEDSA-N 405.885 5.058 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCCc1nc(C(C)(C)C)cs1 19718277 WPAVOVLKUUBTFF-UHFFFAOYSA-N 403.935 5.030 0 40 HKAB Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc(C(=O)O)c1O 20139998 JHBBOEQNVUESFK-UHFFFAOYSA-N 406.221 5.218 0 40 HKAB O=C(C[C@H]1c2ccccc2Sc2ccc(Cl)cc21)NC1C2CC3CC(C2)CC1C3 20512661 BZEXXNQQCGUGIP-GQSNMYLESA-N 424.009 6.268 0 40 HKAB Fc1ccc(C(c2ccc(F)cc2)N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 22454878 QXJYXZFEVBWHJO-UHFFFAOYSA-N 417.503 5.353 0 40 HKAB Cc1nc(COc2ccc(C(C)(C)C)cc2)sc1C(=O)Nc1cccc(Cl)c1 27912783 LBOMUKNBNQWEBC-UHFFFAOYSA-N 414.958 6.234 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(O)=Nc2cc(-c3ccc(F)cc3)nn21 32089718 MKLWXHSGIWYUFG-INIZCTEOSA-N 419.243 5.168 0 40 HKAB O=C(NCCCOC1CCCCC1)c1ccccc1CSc1nc2ccccc2o1 32904310 MAPVDQDBHRXSAP-UHFFFAOYSA-N 424.566 5.589 0 40 HKAB O=C(CCSCc1cn2ccccc2n1)Nc1ccc(Nc2ccccc2)cc1 32908321 BRTBQCWYAAYFNW-UHFFFAOYSA-N 402.523 5.340 0 40 HKAB CCc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)cc1 41076854 BLQOFTZPKUDUNN-UHFFFAOYSA-N 416.546 5.653 0 40 HKAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4ccccc4Cl)ccc32)cc1 46078559 KSSMPPUMDLHRMW-UHFFFAOYSA-N 404.897 5.494 0 40 HKAB C=Cc1ccc(CSc2nnc3c4cc(-c5ccc(C)c(C)c5)nn4ccn23)cc1 67260622 PRIDLCVGUPDRJY-UHFFFAOYSA-N 411.534 5.596 0 40 HKAB CC[C@H](C(=O)N1CCC(NC(=O)c2ccccc2SC(C)C)CC1)c1ccccc1 72056881 QVJYRKVXWHCCOV-NRFANRHFSA-N 424.610 5.102 0 40 HKAB Cc1ccc(-c2cc(C(=O)NCc3nc(-c4ccc(Cl)cc4)cs3)n[nH]2)cc1 72243342 WIOOIWMNRRCXES-UHFFFAOYSA-N 408.914 5.092 0 40 HKAB OC1=C2C(=Nc3nc4ccccc4n3[C@H]2c2cccs2)C[C@H](c2ccc(F)cc2)C1 102889782 YHSUZALENUYFEY-WNSKOXEYSA-N 415.493 6.302 0 40 HKAB C[C@@]1(C(=O)Nc2ccc(OCc3ccccc3F)cc2)CC(c2ccccc2F)=NO1 141566735 ZUZSXHQCUMYWMA-DEOSSOPVSA-N 422.431 5.066 0 40 HKAB C[C@H]1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(Br)c1c2CCC1 142813082 MZSMMCPCBUZNAN-LLVKDONJSA-N 408.336 5.144 0 40 HKAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 219265314 XJIZDFQPZIXCOM-HXUWFJFHSA-N 421.562 5.363 0 40 HKAB CCc1ccc([C@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1 223252159 XXNBDYMYXGTJCU-HNNXBMFYSA-N 404.348 5.391 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2O1 223961445 WSGNYIBGXVMQMY-WZONZLPQSA-N 407.554 5.532 0 40 HKAB COc1cccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3C)c2)c1 224278758 UAJVYOOXIZURFZ-UHFFFAOYSA-N 405.494 5.460 0 40 HKAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccc(C)cc1 224464414 HSVLFGRZQZTFPR-UHFFFAOYSA-N 409.913 5.556 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 224604565 UQBKKUOCRDTSOV-IBGZPJMESA-N 414.977 5.196 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCc1ccc(Cl)c(Cl)c1 225337336 ZYMOXSRPMMZJHD-SFHVURJKSA-N 408.325 5.353 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c2cccnc12 225867413 WVLCHKSBHSCXBO-UHFFFAOYSA-N 416.565 6.563 0 40 HKAB COC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(Br)cc1)N2 247841770 OIBDONHXDQCDTE-QLKGZJGRSA-N 412.327 5.532 0 40 HKAB O=C(Nc1ccccc1C(=O)N1CCCCC1)/C(=C/c1ccco1)c1ccccc1 408563788 PVNYSYHMJAGIQB-RELWKKBWSA-N 400.478 5.085 0 40 HKAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(Cl)cc1C(F)(F)F 408626294 WCMQWMKGACONTB-UHFFFAOYSA-N 404.775 5.111 0 40 HKAB CC[C@@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408662142 MQVHYSNNEMHWQK-ZIAGYGMSSA-N 406.309 5.465 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(C)c(Cl)c2)c1 408695488 QTUJFQDGNIXEAX-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccccc2)cc1C 408697924 MVGFJDGDCZKYNN-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@H](c2ccccc2)N3)c1 409147281 VMYLHZGQIIGMEZ-BUFOOBCNSA-N 422.572 6.852 0 40 HKAB Cc1sc(NC(=O)CCC(=O)c2ccc(C(C)C)cc2)nc1-c1ccc(F)cc1 409202575 UQOFUSMLWXDQOG-UHFFFAOYSA-N 410.514 5.983 0 40 HKAB Cc1ccc(OCc2nc(CC(C)C)c(-c3ccc(Cl)cc3)cc2C(=O)O)cc1C 585265602 UPEHWTPFAIRWIK-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB COC1(COc2ccc(C)cc2C)CCN(C[C@]2(O)CC[C@@H](C(C)(C)C)CC2)CC1 585287834 SXQIDWCGTCXODR-WZJNIGMMSA-N 417.634 5.131 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)c(C)c1 944105 UHSKJAJTEMYEOK-UHFFFAOYSA-N 419.546 6.191 0 40 HKAB Cc1ccc2nc(NC(=O)COC(=O)c3sc4ccccc4c3Cl)sc2c1 997289 FIKHTVDLRKOFSQ-UHFFFAOYSA-N 416.911 5.268 0 40 HKAB O=C(Nc1ccccc1)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 1067516 OALXNZWTBQJHHN-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB COc1ccc(C(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCCC4)cc1 1243091 GGZPPOOETKRJKK-UHFFFAOYSA-N 418.518 5.647 0 40 HKAB COc1cccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)c1 1255548 MXCMMJWIFAQVPE-UHFFFAOYSA-N 419.506 5.278 0 40 HKAB Cc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1 1363394 SGIDAZLUGMLNSO-FQEVSTJZSA-N 403.526 5.362 0 40 HKAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)N4CCCC[C@H]4C)c23)C1 1377302 IXWLNZLYENNOTA-UONOGXRCSA-N 415.628 5.187 0 40 HKAB Cc1nc(NC(=O)c2cccc(Cl)c2)sc1C(=O)Nc1ccc2c(c1)CCC2 1379098 TUPCKCXVTVJGDM-UHFFFAOYSA-N 411.914 5.098 0 40 HKAB CN(C(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1ccccc1 1396474 BNHQNWMOWPTIMH-UHFFFAOYSA-N 421.711 5.133 0 40 HKAB CC[C@@H](C)c1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(Cl)ccc4n3)o2)cc1 1790003 ZJWHZTSAKXDPRB-CQSZACIVSA-N 405.881 7.027 0 40 HKAB CCCSc1nc2c(c(=O)n1Cc1ccccc1)[C@](C)(CC)Cc1ccccc1-2 1826382 MSQVSZYDCUDVNS-RUZDIDTESA-N 404.579 5.685 0 40 HKAB CCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 2086061 KCSZXMJGTMMFQI-UHFFFAOYSA-N 410.473 5.639 0 40 HKAB O=C(CSc1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 2141303 KKSBUVZIEORUNV-UHFFFAOYSA-N 402.544 6.208 0 40 HKAB Cc1cc(-c2csc(Nc3ccccc3C(F)(F)F)n2)c(C)n1C[C@H]1CCCO1 2645433 SHOBZTNKIJHZTD-OAHLLOKOSA-N 421.488 6.170 0 40 HKAB Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(F)cc2)N2CCCCC2)c1C 2667943 IPUMJBKOPIFZHC-OAQYLSRUSA-N 412.530 5.925 0 40 HKAB Cc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)c(C)c1 3012966 GRQRBXXWDDCXSY-DOTOQJQBSA-N 404.392 5.006 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 3296398 SARHDPBKBASXBI-INIZCTEOSA-N 404.510 5.356 0 40 HKAB aggregator COc1ccccc1Nc1nnc(SCc2cnc(-c3ccccc3)s2)s1 3347989 DWPTUNMHZDJBID-UHFFFAOYSA-N 412.565 5.706 0 40 HKAB CC(C)(C)c1ccc(Cn2c(/C=C/c3ccccc3Cl)nc3ccccc32)cc1 4002813 RFEGLJAASWLGPD-SAPNQHFASA-N 400.953 7.206 0 40 HKAB Cc1ccc(NC(=O)n2ccc([C@@H](C)Oc3ccc(-c4ccccc4)c(F)c3)n2)cc1 4060696 MDESMUBJFZKWTD-GOSISDBHSA-N 415.468 6.218 0 40 HKAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccccc2C(F)(F)F)CSC3)c1 4079157 GUEUMQDVHWNBIH-UHFFFAOYSA-N 403.429 5.199 0 40 HKAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2ccco2)cc1 4240735 FUDQJWBLYMIDTD-JOCHJYFZSA-N 422.550 5.092 0 40 HKAB Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Nc3ccc(Cl)cc3)c2c1 4335256 DNYMESABMPEVNW-UHFFFAOYSA-N 408.910 5.773 0 40 HKAB COc1ccc(-c2c(C)c3cc(OC(=O)c4ccccc4F)ccc3oc2=O)cc1 4340800 XGHOKZWGSQECCA-UHFFFAOYSA-N 404.393 5.135 0 40 HKAB biogenic Cc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc4c(c3)CCCC4)sc2c1 4359542 LYFJNELLNWYHTL-UHFFFAOYSA-N 407.583 5.082 0 40 HKAB COc1ccc(C(=O)c2sc3nc(C45CC6CC(CC(C6)C4)C5)ccc3c2N)cc1 4718516 LAAISSXWTMTUIH-UHFFFAOYSA-N 418.562 5.586 0 40 HKAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 4837557 ZCPPNFQPAOZUIN-YVLHZVERSA-N 402.208 5.737 0 40 HKAB Clc1ccc(-c2csc3ncnc(SCc4cccc(Cl)c4)c23)cc1 5414232 HRCGBVOECNBIBT-UHFFFAOYSA-N 403.359 6.957 0 40 HKAB Nc1c(C(=O)Nc2ccccc2Cl)sc2nc(C3CC3)cc(-c3ccccc3)c12 6190392 UNSXKUQQTOPWAX-UHFFFAOYSA-N 419.937 6.329 0 40 HKAB O=C(Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1)c1ccccc1 6337934 UYHHFEBJAVMQRG-UHFFFAOYSA-N 410.951 6.494 0 40 HKAB Cn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccc(F)cc1 6912782 UDJIXWCOJSKVBJ-NRFANRHFSA-N 403.482 5.338 0 40 HKAB O=C(O)c1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@@H]2C=CC[C@H]21 7096060 PRSUSOZVJJAIGF-UMEGOILYSA-N 413.542 6.504 0 40 HKAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(C)C)c2)cc1 7967081 XNESLLSSCWLMRM-UHFFFAOYSA-N 422.550 5.196 0 40 HKAB Cc1cccc(NC(=O)CNc2ncnc3cc(-c4ccc(F)cc4)sc23)c1C 8071675 TZKBKZCFHPEJTO-UHFFFAOYSA-N 406.486 5.165 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 8216983 GESTZDWMKVQEQO-UHFFFAOYSA-N 405.885 5.289 0 40 HKAB COc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)ccc1OCc1ccccc1F 8534519 DQDJPGIPTJWFHV-WXIHSGNDSA-N 423.572 6.252 0 40 HKAB COc1ccc(OC)c2c1[C@@H](c1cccc(NC(=O)C3CC3)c1)O[C@H]1CCCC[C@H]21 8816560 CUDMNXSXYJGJGV-AXHZCLLHSA-N 407.510 5.198 0 40 HKAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1cccc(Cl)c1Cl 9631679 NPQPLYBPKZKBRT-UHFFFAOYSA-N 419.337 5.182 0 40 HKAB CC(C)(C)c1ccc(-c2cc(=O)c3ccc(NC(=O)C4CCCCC4)cc3o2)cc1 9660304 FYJDPXVLYWXSCK-UHFFFAOYSA-N 403.522 6.276 0 40 HKAB biogenic CCc1cc(Br)c2oc(-c3ccc(NC(=O)C(F)(F)F)cc3)nc2c1 10119751 YSJJKDMDRVJOEM-UHFFFAOYSA-N 413.193 5.321 0 40 HKAB CCCNC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 13686786 WVMHZGZDCASTLG-UHFFFAOYSA-N 403.507 5.661 0 40 HKAB Cc1nc(COc2ccc(C(=O)N[C@@H]3CCSc4c(F)cccc43)cc2)cs1 14248373 LXTUESXKSSMKJE-LJQANCHMSA-N 414.527 5.137 0 40 HKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)c(Br)c2)N3)C1 15945433 NUIBQEYNEPGFHC-QGHHPUGFSA-N 421.360 5.463 0 40 HKAB Cc1ccc(-n2c(SCc3ccc(C)c(C)c3)nnc2-c2cccc(Cl)c2)cc1 16789213 QBRNBBCRESONDS-UHFFFAOYSA-N 419.981 6.805 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4F)ccc3o2)c1 17091825 DOMZLVNSUSPTFE-UHFFFAOYSA-N 419.481 5.378 0 40 HKAB Cc1cccc(C)c1NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 17135778 HMMSAPQSOCFNPW-UHFFFAOYSA-N 414.918 5.239 0 40 HKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc4ccccc34)sc2c1 20411482 UDKJAERXFFNSHI-UHFFFAOYSA-N 404.491 5.659 0 40 HKAB COc1c(Cl)cc(C(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)cc1Cl 21928442 YBTISRNOSIYKAA-UHFFFAOYSA-N 418.324 5.077 0 40 HKAB COc1c(C)cnc(CSc2nc3cc(OCc4ccccc4)ccc3[nH]2)c1C 22051200 MVSKSPIWDUMZMX-UHFFFAOYSA-N 405.523 5.455 0 40 HKAB in-vitro CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 30851012 SSNDKENQFHEJRX-QFIPXVFZSA-N 411.954 6.428 0 40 HKAB CCCCC(=O)NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 32115336 RJXVOIUWJDVYQW-UHFFFAOYSA-N 423.872 5.430 0 40 HKAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1ccc(Cl)cc1 32578487 ZHLUOZXROZLPAE-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB Cc1ccc(NC(=O)c2sc(=S)n3c2nc(O)c2cc(Cl)ccc23)cc1 33251332 QMNZRXZHGZQWEA-UHFFFAOYSA-N 401.900 5.198 0 40 HKAB CC(=O)OCC(C)(C)[C@@H](OC(C)=O)C(C)(C)[C@@H]1Nc2ccccc2-c2ccccc21 38337894 JEBKMKIAQLPXBR-DHIUTWEWSA-N 409.526 5.367 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)Cc3ccccc3)c2)cc1 38753449 SAHFBYFLSFBZHJ-UHFFFAOYSA-N 407.535 5.157 0 40 HKAB Cc1ccc(N2C(=O)/C(=C/c3cn(CC(C)C)c4ccccc34)NC2=S)cc1C 39556635 SMHFKUMVUPCDNW-MTJSOVHGSA-N 403.551 5.176 0 40 HKAB Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@@H](CC(C)C)c3ccccc3)C2)c1 40150849 WINPPBRWXWFDHA-GGAORHGYSA-N 407.558 5.143 0 40 HKAB CCc1nn2c(ncc3c(=O)n(CCC4=CCCCC4)ccc32)c1-c1ccc(F)cc1 40396748 QWKPJOFAUCDCER-UHFFFAOYSA-N 416.500 5.303 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875362 ZKFGQILUSKIOPO-JOCHJYFZSA-N 417.018 5.513 0 40 HKAB Cc1ccc(-n2c(SCc3noc(C(C)(C)C)n3)nnc2-c2ccccc2)cc1 46570195 MVZOGWLDVMARNK-UHFFFAOYSA-N 405.527 5.216 0 40 HKAB COc1ccc(C)cc1NC(=O)CS[C@@H](c1ccccc1)c1ccc(Cl)cc1 48332622 PCFPAMXARPNTNB-QHCPKHFHSA-N 411.954 6.118 0 40 HKAB O=C(N1CCC(Oc2nc3ccccc3s2)CC1)C1(c2cccs2)CCCC1 49430675 WFVRUCBFITXCFU-UHFFFAOYSA-N 412.580 5.240 0 40 HKAB Cc1oc(C)c(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1Br 58014129 YCJIGZMTTKFAJC-UHFFFAOYSA-N 413.243 5.313 0 40 HKAB COc1c(CC=C(C)C)c(O)cc2c1[C@@H]1Oc3cc(O)c(CC=C(C)C)cc3[C@H]1CO2 59729451 WIEKYGJSRGBBTQ-NIYFSFCBSA-N 422.521 5.734 0 40 HKAB biogenic,in-vitro CCOC(=O)/C=C/c1cc(Br)ccc1OCc1ccc(C(C)(C)C)cc1 62715268 YSQMCIJWGXKTGY-MDWZMJQESA-N 417.343 5.902 0 40 HKAB Cc1ccc(-c2nc(CCNC(=O)c3sc4nc(C)nc(C)c4c3C)cs2)cc1 65533933 DOXDOUQFXYZNNZ-UHFFFAOYSA-N 422.579 5.021 0 40 HKAB Cc1[nH]c(-c2ccccc2)c([C@H](C)SCc2c(Cl)cccc2Cl)c1C(=O)O 71614058 QMCDCGYGGAGEAH-ZDUSSCGKSA-N 420.361 6.990 0 40 HKAB O=C(c1ccc2ccccc2n1)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 95481737 IFGSFQHMGLJNCZ-VWOHUWHGSA-N 423.472 5.858 0 40 HKAB N=c1c2c(ncn1Cc1ccccc1)Oc1c(ccc3ccccc13)[C@H]2c1ccccc1 101127984 BHUCPUICLANGDI-XMMPIXPASA-N 415.496 5.850 0 40 HKAB C[C@H](NC(=O)c1oc2ccccc2c1CSCc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 102253289 SKXIGRMKCVMNHR-UTYWTXRGSA-N 419.590 6.421 0 40 HKAB COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc1OC 102618832 MGZWWZVXPQVNKQ-XMMPIXPASA-N 420.509 5.516 0 40 HKAB Cc1cccn2cc(-c3ccccc3NC(=O)[C@H](C)Oc3ccccc3Cl)nc12 206901032 RQJALXDTGDRARG-INIZCTEOSA-N 405.885 5.369 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COCc1ccccc1 224749293 QBVISMNYIGAMHO-UHFFFAOYSA-N 421.493 5.072 0 40 HKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)ccc1F 224888989 GNKGWPJWCIJMOJ-ZWKOTPCHSA-N 403.935 5.421 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1 224898832 RGCLVHKSNJDEMS-UHFFFAOYSA-N 412.489 6.140 0 40 HKAB CCc1cccc(CC)c1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 225658178 LBKUTVDADRZBOC-PGMHBOJBSA-N 404.535 5.283 0 40 HKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(Br)cc3)n2)cc1 225835821 UPVCPLBYPBWODP-UHFFFAOYSA-N 414.303 5.194 0 40 HKAB COc1ccc(-n2cccc2CN(C)C(=O)c2ccc3nc(Cl)sc3c2)cc1 225984921 TYHMGBVVGRXVGN-UHFFFAOYSA-N 411.914 5.021 0 40 HKAB Cc1ccc(-c2nc3cc(-n4cccc4)ccc3o2)cc1I 226248223 DHYYSLOTZOCIBR-UHFFFAOYSA-N 400.219 5.199 0 40 HKAB Cc1ccccc1-c1nnc2sc(C3=CCN(Cc4ccccc4Cl)CC3)nn12 226250663 CUIIKIQEBLZFAA-UHFFFAOYSA-N 421.957 5.104 0 40 HKAB CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 226336417 KJWNXAZSDXOMPB-QPJJXVBHSA-N 415.700 5.811 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCC[C@H]4C)cc3)CCCC2)cc1 260818219 YAKHYHIUPBYSOY-JOCHJYFZSA-N 420.597 5.699 0 40 HKAB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1cccc(F)c1 408564613 ZWRBGZRPOPYKHO-NMWGTECJSA-N 409.313 5.732 0 40 HKAB Cc1cccc(CNC(=S)c2ccc(OCc3ccccc3Cl)c(Cl)c2)c1 408572430 GZDSBEFKTOYDSB-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1Cc3ccccc3[C@H]21 408994524 HXNKXLZIAREFGQ-NJDAHSKKSA-N 420.306 5.618 0 40 HKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)c(C)c1 409112426 CQNVMQGDOXRWBV-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB CCc1sc2nc(SCc3ccc(C)cc3)n(-c3ccc(C)cc3)c(=O)c2c1C 409121888 VNGLOLMSAKNEDJ-UHFFFAOYSA-N 420.603 6.227 0 40 HKAB CCn1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21 409135240 VXEDZZWNMWFBPV-JAIQZWGSSA-N 424.909 5.234 0 40 HKAB Cc1ccc(C2=Nn3c(COc4ccccc4)nnc3S[C@@H]2c2ccccc2)cc1 409193449 CXVOAESSTNCEEE-HSZRJFAPSA-N 412.518 5.265 0 40 HKAB Cc1cccc(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1C 409383793 HNWBIXLODSRLJF-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB Cc1csc(Nc2cc([C@H]3CCCCN3C(=O)/C=C/c3ccccc3)nc(C)n2)n1 585291402 CDRXPOWPPIYHAA-YVNCXZRQSA-N 419.554 5.061 0 40 HKAB Cc1ccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4sc(C)nc4C)C3)c2)cc1 1848351855 NUDBSZYKPWTNCI-IBGZPJMESA-N 420.582 5.535 0 40 HKAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(OC(C)C)cc3)c2c1 952873 NWGVBWVLVAATAH-UHFFFAOYSA-N 422.481 5.119 0 40 HKAB COc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2)cc1 1030711 BOLVHMDECTUFRO-XMMPIXPASA-N 416.908 5.618 0 40 HKAB biogenic CC(C)(c1ccc(NC(=O)C(F)(F)F)cc1)c1ccc(NC(=O)C(F)(F)F)cc1 1055280 JCJQGBJXIFCKND-UHFFFAOYSA-N 418.337 5.014 0 40 HKAB Cc1cc2c(c(SCc3ccc(F)cc3)n1)C(=O)N(c1ccc(C)c(C)c1)C2=O 1405549 QOFXPMMNOPCLMJ-UHFFFAOYSA-N 406.482 5.239 0 40 HKAB Cc1cccc(-n2c(SC(C)C)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)c1 1757267 MLHCRZORAVAORE-UHFFFAOYSA-N 416.590 6.076 0 40 HKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCCOc1cccc(C)c1 1773777 PUSBSVYYVSQIOZ-UHFFFAOYSA-N 423.534 5.698 0 40 HKAB CCCCCC1(CCCCC)SCC(=O)N1Nc1ncc(Cl)cc1Cl 1780565 VDBMVRJTFYZBNI-UHFFFAOYSA-N 404.407 6.148 0 40 HKAB CCCCc1nc2sc3c(NCCN(CC)CC)ncnc3c2c2c1CCCC2 2299548 LTTZSCFVWVCPOF-UHFFFAOYSA-N 411.619 5.215 0 40 HKAB CCN(c1ccc(NC(=O)COC(=O)c2c(Cl)cccc2Cl)cc1)C(C)C 3239090 BLPYZTZFTJSOBT-UHFFFAOYSA-N 409.313 5.024 0 40 HKAB C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)c1ccc(OC(F)F)cc1 3446669 KHVJGIHGNNDLGP-GFCCVEGCSA-N 421.494 5.115 0 40 HKAB CCc1ccc(OCC(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1 3655614 FGRQLCBYCCTJNC-UHFFFAOYSA-N 417.436 5.383 0 40 HKAB Brc1ccc(SCCc2ccc3cc(-c4ccccc4)cn3c2)cc1 3672383 IXYXSHIWKXFGKF-UHFFFAOYSA-N 408.364 6.704 0 40 HKAB Cc1ccc(CSc2nnc(/C=C/c3ccccc3)n2-c2ccc(Cl)cc2)cc1 4052812 UJUAYTUNYGERKI-LFIBNONCSA-N 417.965 6.692 0 40 HKAB Cc1cc(-c2nc3cccnc3s2)ccc1NC(=O)COc1ccc(Cl)cc1 4063075 QMPMQXFLMLEFSB-UHFFFAOYSA-N 409.898 5.338 0 40 HKAB Cc1ccccc1C(=O)Nc1nnc(COc2ccc(C3CCCCC3)cc2)s1 4503508 IGLJVXAHLDEJEX-UHFFFAOYSA-N 407.539 5.726 0 40 HKAB COC(=O)[C@H]1C=C(c2ccccc2)S[C@]1(c1ccccc1)c1nc2ccccc2[nH]1 4649804 HHNRIJCKQMJWDO-CLOONOSVSA-N 412.514 5.384 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1 4871988 NQSBLXCOAWSWSF-SIKLNZKXSA-N 410.926 6.043 0 40 HKAB CCCCCOc1ccccc1CN1C(=O)C(=O)c2cc(Br)cc(C)c21 5017095 YVCVVVFUGHLBLW-UHFFFAOYSA-N 416.315 5.056 0 40 HKAB CCn1c(SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)nnc1-c1ccccc1 5311866 FALYJOCQGSUWJE-UHFFFAOYSA-N 419.550 5.796 0 40 HKAB O=C(NCCCc1nc2ccccc2n1Cc1ccccc1Cl)c1ccccc1 5545880 GNZJZPPXMCLCJG-UHFFFAOYSA-N 403.913 5.101 0 40 HKAB O=C(c1cnc2c(c1)c(C1CCCC1)nn2-c1ccccc1)c1cc(F)ccc1O 5938827 GCNSPSSGLJRSBT-UHFFFAOYSA-N 401.441 5.154 0 40 HKAB O=C(CSc1nnc(-c2ccccc2F)o1)N(Cc1ccco1)C1=CCCCC1 6112172 ZQCWPUGRDFTBMN-UHFFFAOYSA-N 413.474 5.048 0 40 HKAB CCOc1ccc(C2=Nc3ccc(CC)cc3C(c3ccc(N(C)C)cc3)=NN2)cc1 6134963 HMWUBIQBCGIZJZ-UHFFFAOYSA-N 412.537 5.148 0 40 HKAB Cc1cc(C)c(NC(=S)Nc2ccccc2)c(C)c1NC(=S)Nc1ccccc1 6275718 URWQDYIJURDZQO-UHFFFAOYSA-N 420.607 6.230 0 40 HKAB CC(C)CCSc1nc2ccccc2n1CC(=O)NCc1ccccc1Cl 6313607 HNUOHRVARRKOET-UHFFFAOYSA-N 401.963 5.144 0 40 HKAB CN(Cc1ccccc1)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 6871594 GTVPYLIOULSYAG-UHFFFAOYSA-N 408.480 5.863 0 40 HKAB CCOc1ccc2ccccc2c1C[C@@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O 6964728 HNQVIJNGSPFVJC-FQEVSTJZSA-N 411.910 5.703 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1 7078251 KXRWBYIWPZNTEQ-HCZVKUGISA-N 400.931 5.717 0 40 HKAB COc1ccc(CNCc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 7538431 JVKVCSIRSZRBTD-UHFFFAOYSA-N 415.892 5.365 0 40 HKAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(-c2ccccc2)cc1 7721218 UNAFTOQNBSHJCM-UHFFFAOYSA-N 403.869 5.329 0 40 HKAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3C)cc2)CC1=O 7881940 AJSAGZVXYYBOJF-FQEVSTJZSA-N 414.505 5.341 0 40 HKAB CCCCOc1cccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)c1 8767509 QZOWIYPOVPWQGW-UHFFFAOYSA-N 402.907 5.681 0 40 HKAB Cc1nc(-c2ccc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)cc2)cs1 8861442 SXHQBGOQUIULMR-UHFFFAOYSA-N 419.531 5.685 0 40 HKAB O=C(c1ccc(-c2ccccc2F)o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 9548913 IQEWOGKHDIJEKP-OAHLLOKOSA-N 406.482 5.715 0 40 HKAB Cc1nc2ccc(NC(=O)c3c(C)nn(Cc4ccccc4Cl)c3C)cc2s1 9885459 CXJWRLGVHNFVOF-UHFFFAOYSA-N 410.930 5.372 0 40 HKAB CCOc1cccc2cc(-c3csc(NC(=O)c4c(F)cccc4F)n3)oc12 10750148 WDLSBUHHLOOOAM-UHFFFAOYSA-N 400.406 5.486 0 40 HKAB Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccco1)C(=S)NC1CCCCC1 11024732 XHAMTTDGNIQGMG-UHFFFAOYSA-N 413.562 5.460 0 40 HKAB COc1ccc2c(c1)CCc1cc(C(=O)Nc3cc(OC)c(OC)cc3C)sc1-2 11642103 QWBLKUDPBMFMLG-UHFFFAOYSA-N 409.507 5.100 0 40 HKAB C[C@H](CCc1ccco1)NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 11865858 FTQWPQFNSPHSBN-GFCCVEGCSA-N 409.338 5.390 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3cccs3)C[C@@H]21 12196437 KRQMAVGWRPJGKJ-PGRDOPGGSA-N 412.461 5.667 0 40 HKAB CC(C)[C@H]1O[C@H](c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)OCC1(C)C 12401263 DASMUCALWSLXOE-TZIWHRDSSA-N 421.459 6.054 0 40 HKAB Cc1nc2sc([C@@H](O)c3ccccc3)c(NC(=O)c3ccccc3)c2c(C)c1Cl 12444721 OJELRXSYWVVPNU-FQEVSTJZSA-N 422.937 5.901 0 40 HKAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 13710506 YYZZMOFTCIBMAA-HNNXBMFYSA-N 412.382 5.427 0 40 HKAB Cn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(Br)cc1 14088018 OMPDBTKTZFVATI-UHFFFAOYSA-N 424.751 5.102 0 40 HKAB CCOC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757552 URJGHJVOQZZKCW-INIZCTEOSA-N 403.507 5.131 0 40 HKAB CC(C)(C)C(=O)Nc1nc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cs1 16891469 RSFMHWGIQAUSAU-UHFFFAOYSA-N 409.511 5.101 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(Cl)c(Cl)c1 16944922 ZFFPCYXFVDWCRP-UHFFFAOYSA-N 409.272 6.568 0 40 HKAB CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2s1 17088945 INKFSGSIPALIAP-UHFFFAOYSA-N 411.527 5.176 0 40 HKAB Cc1sc2ncnc(SCC(=O)Nc3cc(C(C)(C)C)ccc3O)c2c1C 17360921 TWGLQHOJJRDVBP-UHFFFAOYSA-N 401.557 5.042 0 40 HKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(CSc2ccccc2)cc1 20106987 HANDVOLTPPXOHB-IBGZPJMESA-N 405.563 6.508 0 40 HKAB CC(C)(C)c1ccc(/C=C/c2cc(C(=O)O)c3cc(Br)ccc3n2)cc1 21954129 KTWRTRPUYPGHPO-UXBLZVDNSA-N 410.311 6.163 0 40 HKAB COc1ccccc1-c1nc(CSc2nc(O)cc(-c3ccccc3)n2)c(C)o1 23126198 CCUUXXUZSLEWST-UHFFFAOYSA-N 405.479 5.114 0 40 HKAB Cc1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CC[C@@H](C)C4)cc1C 25286947 VBGTUEQILKCBNT-OAHLLOKOSA-N 423.582 5.057 0 40 HKAB COC(=O)c1ccccc1NC(=O)c1sc2cc(C(C)(C)C)ccc2c1Cl 26965867 GRYHKULMDRKZKD-UHFFFAOYSA-N 401.915 5.891 0 40 HKAB Cc1cc(C)cc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)c1 27582691 GKDNNFJDRWKFBF-HSZRJFAPSA-N 414.977 5.069 0 40 HKAB COc1cccc(CN(C)C(=O)CSC(c2ccccc2)c2ccccc2)c1OC 29358990 BITBWBKCCQWCSU-UHFFFAOYSA-N 421.562 5.185 0 40 HKAB COc1ccc(-c2nnc([C@H](C)Nc3ccc4c(c3)OC3(CCCCC3)O4)o2)cc1 32808969 FQSDWJHTWMTUJE-HNNXBMFYSA-N 407.470 5.350 0 40 HKAB Cc1oc(-c2ccccc2)nc1CSc1nc2ccccc2c(=O)n1CCC(C)C 32984676 LNJOVDJBTLVOQQ-UHFFFAOYSA-N 419.550 5.698 0 40 HKAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2cccc(C(F)(F)F)c2)c1OC 36366671 NPVFEUAQIZTIEA-OAHLLOKOSA-N 417.387 5.032 0 40 HKAB CCc1cc(C(=O)Nc2cccc(F)c2)c2c(C3CC3)nn(-c3ccccc3)c2n1 36621630 JHMIUTMASJTQBV-UHFFFAOYSA-N 400.457 5.252 0 40 HKAB Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)s2)s1 39761707 DISNIBYIVCWXHF-UHFFFAOYSA-N 420.519 5.080 0 40 HKAB CC(C)n1c(CN(CCCn2ccnc2)Cc2ccc(F)cc2)nc2ccccc21 43277678 QFNOIGYCICGBEO-UHFFFAOYSA-N 405.521 5.045 0 40 HKAB FC(F)(F)c1cccc(CSc2nccn3nc(-c4cccc(Cl)c4)cc23)c1 45925324 IGWWXIIVYANRPU-UHFFFAOYSA-N 419.859 6.361 0 40 HKAB Cc1ccc(C)c(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)c1 57486688 OUEKAIIXBAAZQF-UHFFFAOYSA-N 406.873 5.114 0 40 HKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1 59400826 MHUXTLAZTAVFQN-UHFFFAOYSA-N 409.329 6.644 0 40 HKAB CCc1cccc(C)c1NC(=O)CSc1cc(C)nc(-c2ccc(OC)cc2)n1 67257621 HEFWEWZXYCIYSE-UHFFFAOYSA-N 407.539 5.062 0 40 HKAB Cc1ccc(C)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)c1 67293151 YOJSSWFLGZJOOR-RWEWTDSWSA-N 406.869 5.458 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc3nn(-c4cccc5ccccc45)nc3c2)c(C)c1 70461133 SCKMHQYETNYSJS-UHFFFAOYSA-N 422.488 5.208 0 40 HKAB CN(C)C(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cccc3cccnc23)C1 72352449 WKZPSTNUGHQAIJ-SFHVURJKSA-N 415.562 5.141 0 40 HKAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 95441810 NXFDEKJFJIFCIK-MHZLTWQESA-N 421.544 5.174 0 40 HKAB O=c1nc(SCc2cccc(F)c2)[nH]c2scc(-c3ccc4c(c3)CCCC4)c12 96535367 XQWRUELYCGEWFH-UHFFFAOYSA-N 422.550 5.962 0 40 HKAB CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1cccc(Cl)c1Cl)N2 100017040 YCOLBMWLTJDGRP-DVMFEPMFSA-N 416.348 6.467 0 40 HKAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3nc(-c4ccc(C)cc4C)c(C)s3)C(=O)[C@@H]21 100860051 WHIOHBGYSHOOBF-LFGUQSLTSA-N 406.551 5.217 0 40 HKAB OC1=C2C(=Nc3ncnn3[C@@H]2c2cc(F)cc(F)c2)C[C@H](c2cccc(Cl)c2)C1 102709293 XVNWVLQLJSYQML-FKIZINRSSA-N 412.827 5.275 0 40 HKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc2C)c1 107925897 LLFJGRHXHLMAFO-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC(=O)C1CCCCC1 118923486 YOVFVQWNQMEMNF-SOPGZXPBSA-N 400.603 6.090 0 40 HKAB CC1=CO[C@@]2(CC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118936398 WKIREOBBYBNDMP-SKXUDTTGSA-N 414.630 6.062 0 40 HKAB CC[C@@H](NC(=O)c1ccc(CN2CCC(C)CC2)cc1)c1ccc2c(c1)CCCC2 223090726 MYCJDZOOEVNKSO-AREMUKBSSA-N 404.598 5.678 0 40 HKAB COc1cc2c(cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl)CCCC2 223460766 KLJRLODZFWZECJ-UHFFFAOYSA-N 419.852 5.047 0 40 HKAB CC(C)(C)c1ccccc1OCC(=O)Nc1nnc(SCc2ccccc2)s1 223891646 ZNJPXGUEFRYKRD-UHFFFAOYSA-N 413.568 5.145 0 40 HKAB O=C(c1cnn(-c2ccc(Cl)cc2)c1)N(Cc1ccccc1)Cc1ccccc1 224057413 SONCNLBSDWWUEX-UHFFFAOYSA-N 401.897 5.368 0 40 HKAB CCc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C(C)(C)C)cc3)c2)cc1 224180080 SEFFRPJISXOOBV-UHFFFAOYSA-N 417.549 6.386 0 40 HKAB S=C(NCCSCc1ccc(Cl)cc1)Nc1ccc(Br)cc1 225301920 WNQFVAYMQAHNRZ-UHFFFAOYSA-N 415.809 5.322 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c2cccnc12 225866777 INFNRSYODOKTRO-UHFFFAOYSA-N 416.565 6.563 0 40 HKAB Cc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3c3ncc(Cc4ccc(F)cc4)o3)cc12 257211435 BYWAOTUIZBLXIX-HSZRJFAPSA-N 417.484 5.562 0 40 HKAB Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3c3ncc(Cc4cccc(F)c4)o3)cc12 257239234 HONMTGHCUJCJJB-QHCPKHFHSA-N 417.484 5.562 0 40 HKAB CC1(C)[C@H](NC(=O)CCc2ccccc2)[C@@]23CCO[C@H](c4ccccc4)[C@H]2C[C@@H]1C3 257280391 OKQRIBAIJNGHOC-USNSARJJSA-N 403.566 5.318 0 40 HKAB CCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1Cl 408559268 UUQBWEQZRARFOT-UHFFFAOYSA-N 409.538 6.420 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2cc(C)ccc2C)c1 408694561 KJEVCTKGILKEOF-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2cccc(Cl)c2)c(C)c1 408696457 ACLUTSQRWBHZHB-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(C)c1O 408867084 JFYODSFFXOJJNJ-SXGWCWSVSA-N 418.312 5.008 0 40 HKAB Cc1c(Cl)cccc1NCc1ccc(OCc2ccc(Br)cc2)cc1 409121015 XRQAXDBMKSFOPO-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB CCOc1cc(OC)ccc1-c1ccc(C(=O)O)c(COc2ccc(C)c(C)c2)n1 585265089 GNDYKPMBXPCVFC-UHFFFAOYSA-N 407.466 5.050 0 40 HKAB O=C(c1cc2cccc(F)c2[nH]1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 2037845714 HCKGWUNNSPQREW-NRFANRHFSA-N 421.447 5.392 0 40 HKAB Cc1cccc(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1C 843941 DCUBJOUEKGTLRQ-GOSISDBHSA-N 413.348 6.191 0 40 HKAB Cc1ccc(Oc2coc3cc(OC(=O)c4ccccc4Cl)ccc3c2=O)cc1 954160 HOPKMYVPDNESJR-UHFFFAOYSA-N 406.821 5.766 0 40 HKAB C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1cccc(Cl)c1 976193 KMMIOUSPHBSVQP-AWEZNQCLSA-N 424.913 5.300 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccccc3Cl)c3ccccc3n2)cc1 992760 PXTULAANWVJVFX-UHFFFAOYSA-N 415.876 5.903 0 40 HKAB Cc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)c(C)c1 1256313 JGPMFAYESWFBBN-UHFFFAOYSA-N 406.489 5.751 0 40 HKAB O=C(c1ccc(F)cc1)N1CCc2cc(-c3csc(Nc4ccccc4)n3)ccc21 1354470 GXFAZBJOOJWOGQ-UHFFFAOYSA-N 415.493 5.896 0 40 HKAB Cc1cccc(C(=O)N(CCc2ccccc2C)Cc2cc3cc(C)ccc3[nH]c2=O)c1 1359279 RBLBYNRZPMHNRV-UHFFFAOYSA-N 424.544 5.338 0 40 HKAB COc1ccc(COC(=O)Nc2nnsc2Sc2ccc(Cl)cc2)cc1 1387846 IPFLAPTWBAJXTN-UHFFFAOYSA-N 407.904 5.100 0 40 HKAB COc1ccccc1[C@@H](CCNCc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 1823340 DIBYKYGPIBICIU-FQEVSTJZSA-N 409.913 5.389 0 40 HKAB biogenic CCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O 2062833 AWDPJFZSBHRWAK-UHFFFAOYSA-N 406.265 5.141 0 40 HKAB Cc1ccc(C(=O)[C@H](OC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1C 2079636 FSXHMIQAAKXQDJ-RUZDIDTESA-N 400.518 6.382 0 40 HKAB O=C(Oc1ccc(Br)c2ccccc12)c1ccc(-c2ccccc2)cc1 2134652 ZMNRZCPHEHNFNR-UHFFFAOYSA-N 403.275 6.489 0 40 HKAB Cc1ccc(OCCSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1C 2178552 CNVYUGPEXYSTAD-UHFFFAOYSA-N 402.519 5.174 0 40 HKAB c1ccc(CSc2nc(SCc3ccccc3)c3c4c(sc3n2)CCC4)cc1 2181107 QHHKSPVSPTZEPJ-UHFFFAOYSA-N 420.628 6.765 0 40 HKAB COc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)cc1 2266694 RGRGEYDLMNJQMS-UHFFFAOYSA-N 420.559 5.237 0 40 HKAB Cc1c2occ(-c3ccc4ccccc4c3)c2cc2c(-c3ccccc3)cc(=O)oc12 2341678 OVAMOFDIGBKSEE-UHFFFAOYSA-N 402.449 7.335 0 40 HKAB CCCSc1nc(NC2CCCCC2)c2c3c(sc2n1)CO[C@](C)(CC)C3 2383075 ZNOIHJZKZDUNPZ-OAQYLSRUSA-N 405.633 6.179 0 40 HKAB Cc1cc(NC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1Br 2513665 AQKDJOLHIQERAR-UHFFFAOYSA-N 422.754 5.073 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(Cl)cc2)N2CCCC2)c1C 2546450 YUCVWCWMJIOHNV-JOCHJYFZSA-N 424.997 6.456 0 40 HKAB Cc1cc(-c2nc(-c3ccccc3)c(C(=O)c3ccc(Cl)cc3)s2)c(C)n1C 2643737 HJTLZVHEAQPCCD-UHFFFAOYSA-N 406.938 6.317 0 40 HKAB Brc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2)cc1 3267579 JLYFSSIXHJWQGM-UHFFFAOYSA-N 401.267 5.398 0 40 HKAB CCCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 4649840 IFVAHIKNRDQTNV-UHFFFAOYSA-N 408.509 5.274 0 40 HKAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)cc2)c2ccccc21 4670410 QHIKJEKWFYUUDU-OSPHWJPCSA-N 402.469 5.359 0 40 HKAB CCc1c(C)sc2nc(C(C)C)nc(SCC(=O)Nc3ccccc3F)c12 4888834 UPEPCHYDTLQBSZ-UHFFFAOYSA-N 403.548 5.555 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(-c3ccco3)n2C)c2ccccc2)c1 4923718 BHRCYSKJNIWBTF-FQEVSTJZSA-N 418.522 5.164 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 6635653 IVJVSPINXDCMDI-UHFFFAOYSA-N 420.900 5.505 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(NC(=O)COc4ccc(Cl)c(C)c4)cc3)nc2c1 6727877 VQKDMYJYHJKRTQ-UHFFFAOYSA-N 420.896 6.091 0 40 HKAB O=C(Cc1coc2ccc3ccccc3c12)NC[C@H](c1cccs1)N1CCCC1 7686893 UEWPKQWPLZYCCK-HXUWFJFHSA-N 404.535 5.143 0 40 HKAB CC(C)c1cc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2)c(O)c(C(C)C)c1 7780295 ODIJJHYLKDMGFP-UHFFFAOYSA-N 406.425 5.280 0 40 HKAB O=C(c1ccc(COc2ccccc2)o1)N1CCC[C@H](c2nc3ccccc3s2)C1 8074408 FEBBPDNZSHEZDH-KRWDZBQOSA-N 418.518 5.488 0 40 HKAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3cccc(-c4csc(C)n4)c3)o2)cc1 8394571 FCGIJHVJNZLLAI-UHFFFAOYSA-N 402.475 5.833 0 40 HKAB COC(=O)c1c(Oc2ccc(C(C)=O)cc2)nnc(-c2ccccc2)c1-c1ccccc1 8612775 SCRWLOQYSMFENO-UHFFFAOYSA-N 424.456 5.592 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1Cl 8902896 RFZUPVWFZMUXBP-UHFFFAOYSA-N 404.897 6.832 0 40 HKAB CCc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 9233814 DRQOLASKNIKJIU-QHCPKHFHSA-N 424.500 5.113 0 40 HKAB Cc1nc(COc2ccccc2C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cs1 9255819 GXYLSGDRMHDUIS-UHFFFAOYSA-N 422.506 5.324 0 40 HKAB O=C(NCc1ccc(Cl)cc1Cl)c1ccccc1SCc1ccccc1 10338034 VJLOVWFIJBHXSR-UHFFFAOYSA-N 402.346 6.216 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 11612225 OTYKNVSRTPIFLP-UHFFFAOYSA-N 420.490 5.348 0 40 HKAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc(F)cc1Cl 12781702 SVEUHIQMFMZIFE-OAQYLSRUSA-N 400.906 5.127 0 40 HKAB COc1ccc(NC(C)=O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2F)s1 12869108 XKUHBADMIQYRCC-FMIVXFBMSA-N 410.470 5.173 0 40 HKAB O=C(NCCSCc1ccco1)c1ccc(OCc2ccccc2Cl)cc1 13687642 VERUEKCPJHREIX-UHFFFAOYSA-N 401.915 5.175 0 40 HKAB Cc1ccc(C)c(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C2CCCCC2)c1 13714752 GFURLJCFCSOLLY-UHFFFAOYSA-N 402.538 5.567 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2cccc(C)c2)c1C 14405527 RGRBKBXKQZUFLQ-UHFFFAOYSA-N 404.514 5.113 0 40 HKAB O=C(N[C@H](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)c1ccccc1)c1ccccc1Cl 14598168 XSWOYSLTOJPIPW-PTUXOGIPSA-N 424.972 5.382 0 40 HKAB CCOc1ccc(Oc2ccc(NC(=O)C[C@H](NC(C)=O)c3ccccc3)cc2)cc1 14792107 KJMONUUIFNJMIL-DEOSSOPVSA-N 418.493 5.084 0 40 HKAB COc1ccc(-c2nc3c4c(C)c(C)n(C5CCCCCC5)c4ncn3n2)cc1OC 15842410 POULZJHKXLANTK-UHFFFAOYSA-N 419.529 5.275 0 40 HKAB CCCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)c1 16751978 OFEXJNUNNIPGNC-HSZRJFAPSA-N 419.521 5.707 0 40 HKAB O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccc(Cl)cc1 17093737 FULRRPROYOWHPT-UHFFFAOYSA-N 423.950 5.744 0 40 HKAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(Cl)c2)c1 17207154 RGUPXRQPJKBCJS-UHFFFAOYSA-N 424.913 5.136 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 22514700 CVHLJOMAHJFHNM-FQEVSTJZSA-N 414.549 5.529 0 40 HKAB O=C(COc1ccc(F)cc1)Nc1nnc(-c2ccc(-c3cccc(F)c3)cc2)s1 27914089 XUGNZNDRWDLVDE-UHFFFAOYSA-N 423.444 5.168 0 40 HKAB COc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)c2ccccc2Cl)cc1 28287748 IQMJMJDNMPSIQE-QHCPKHFHSA-N 404.897 5.692 0 40 HKAB O=C(NCc1ccc(Cn2ccnc2)cc1)[C@H](Sc1ccccc1)c1ccccc1 30217615 GHBNNTANIRKDBJ-XMMPIXPASA-N 413.546 5.081 0 40 HKAB O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1cc(F)cc2cccnc12 31605526 VNZYPQZZDAKZKQ-UHFFFAOYSA-N 421.884 5.514 0 40 HKAB O=C(c1ccccc1CSc1nc2ccccc2o1)N1CCc2sccc2C1 32902876 LIGWPAQUZNIAJI-UHFFFAOYSA-N 406.532 5.380 0 40 HKAB O=C(Cc1ccc(F)cc1)Nc1ccccc1NC(=O)c1ccccc1C(F)(F)F 36709594 CYEIUAYRZXAWDF-UHFFFAOYSA-N 416.374 5.278 0 40 HKAB CCOc1c(Br)cc(Br)cc1CNc1ccc(C)c(C)c1 37202273 WGITVKQIDDTNKI-UHFFFAOYSA-N 413.153 5.839 0 40 HKAB C[C@@H]1Cc2ccccc2N1c1nc2nccc(/C=C/c3cccc(Cl)c3)c2c(=O)[nH]1 40388461 VVSICOHGXJXNRM-BOLDSZDNSA-N 414.896 5.225 0 40 HKAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCSCc1c(F)cccc1Cl 44885761 NRTWFVPCVKAOAN-HNNXBMFYSA-N 409.954 5.419 0 40 HKAB O=C(Nc1ccc(N2CCCC2=O)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 44900009 RWNYAZINAAUGOY-OQKWZONESA-N 416.908 5.646 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 44902657 LNUQUUKTPGWOLU-IBGZPJMESA-N 402.947 5.085 0 40 HKAB Cc1ccc(NC(=O)CNC(c2ccccc2)c2ccccc2)c(Br)c1 58158665 MXJDWFCCVDRFLI-UHFFFAOYSA-N 409.327 5.075 0 40 HKAB CCc1ccc(NC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)cc1 64472724 SDYIZBNKLNITGK-UHFFFAOYSA-N 406.938 6.674 0 40 HKAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 72297251 USAUIIWSTYMGEV-RTBURBONSA-N 412.599 5.491 0 40 HKAB Cc1cc(NC(=O)c2cc3ccc(-c4ccc(F)cc4)cn3c2-c2cocn2)ccn1 96155500 LAZRXLUBCCUQKC-UHFFFAOYSA-N 412.424 5.356 0 40 HKAB CC(C)c1sc(Cl)nc1C(=O)NCCCc1nc2ccccc2n1C(C)C 96231125 NLRPEPBDTQPOAY-UHFFFAOYSA-N 404.967 5.213 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)Nc5ccc(OC(F)F)cc5)(C4)C2)C3)cc1 102967499 RLJWEIMTCAUXIG-RIZNVZOMSA-N 411.492 6.073 0 40 HKAB COc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 107042069 MYSIVVPVOWIOAI-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2ccc(Cl)cc2)c1 224156253 XMWYUFFURUQKON-UHFFFAOYSA-N 409.913 6.051 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COCc1ccccc1 224749482 AEDSFGOKAXOTDA-UHFFFAOYSA-N 405.494 5.371 0 40 HKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)ccc1F 224892837 NKBRBGPPHZONFC-PKTZIBPZSA-N 420.557 5.459 0 40 HKAB Cc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)c1C 224959304 PGRHMWQUSYGQTB-UHFFFAOYSA-N 402.881 6.531 0 40 HKAB CC[C@@H]1N=C(c2cccc(C(F)(F)F)c2)c2cccn2-c2cc(OC)c(OC)cc21 225377954 NJZDZURLHHGCGK-KRWDZBQOSA-N 414.427 5.815 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)N1CCc2cc(-c3ccncc3)ccc21 225639728 YVUGHQQTXMAJDK-UHFFFAOYSA-N 405.501 5.610 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c2ccccc12 225751771 VJZTXVLKWLDJMX-GOSISDBHSA-N 421.968 7.121 0 40 HKAB O=C1CS[C@]2(C(=O)Nc3ccccc32)N1c1ccc(Oc2ccc(Cl)cc2)cc1 226761713 GCJFHRONEOGLCM-JOCHJYFZSA-N 422.893 5.017 0 40 HKAB CCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(CC)c1-c1ccc(C)cc1 408562481 PZMDEVQFPUEWGC-LCUIJRPUSA-N 408.611 5.751 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2ccc(F)cc2)c1 408697099 HIZOXCNIBKSBJO-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(S[C@@H](C)C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 408714350 OWCMOOXDWGPJLD-KRWDZBQOSA-N 423.582 5.482 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(Cl)c1O[C@@H](C)CC 409018977 ZSQZNIXNXXLJRD-GWMMYCTHSA-N 411.951 5.751 0 40 HKAB Cc1sc(Nc2ccc(Cl)c(Cl)c2)nc1-c1ccc(Cl)c(Cl)c1 409046027 HYYOSPOFWATCPE-UHFFFAOYSA-N 404.149 7.476 0 40 HKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)cc1C 409117276 OAPQCVSMMNDXOE-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB Cc1c(Cl)cccc1NCc1cc(Cl)ccc1OCc1ccccc1Cl 409119428 WOVICGYXPUZBSH-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB O=C(CSc1nc2ccccc2s1)Nc1ccc(Br)c(Cl)c1 409176459 OBFUJKZMZAIBFR-UHFFFAOYSA-N 413.749 5.443 0 40 HKAB Cc1oc2cc3c(C(=O)N4CCCCC4)c(C)oc3cc2c1C(=O)N1CCCCC1 870287 IKODMJBZZUXZOK-UHFFFAOYSA-N 408.498 5.048 0 40 HKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1cccc2ccccc12 888489 ALGGIYNTEMOAEE-UHFFFAOYSA-N 405.548 5.454 0 40 HKAB O=C(c1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 1426175 HIWJARFWJOFGJW-UHFFFAOYSA-N 419.546 5.766 0 40 HKAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc3ccccc13)c1nc3ccccc3nc12 1805555 UREGOTRMGKUSQO-SXOMAYOGSA-N 407.517 5.751 0 40 HKAB biogenic C[C@@H]1CC(C)(C)Nc2ccc(OC(=O)N3c4ccccc4Sc4ccccc43)cc21 1822598 PGRJQTVGLQRHMB-MRXNPFEDSA-N 416.546 7.186 0 40 HKAB O=C(OCCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccncc1 1912319 RIPXBMBNDTWTKH-UHFFFAOYSA-N 418.884 5.004 0 40 HKAB CCCCCC(=O)NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1Cl 2052127 BFJGSLJDYZCFIK-UHFFFAOYSA-N 417.987 6.010 0 40 HKAB Cc1ccccc1NC(=O)c1ccc(-c2ccc(C(=O)Nc3ccccc3C)cc2)cc1 2069596 UOCTZQHMYOWFFD-UHFFFAOYSA-N 420.512 6.475 0 40 HKAB CC(C)c1ccc(-c2nc(C(=O)NCc3cccnc3)cc3c2[nH]c2ccccc23)cc1 2124788 DTZDWBIVZCTLEM-UHFFFAOYSA-N 420.516 5.832 0 40 HKAB biogenic Cc1ccc([C@@]2(C)CC(C)(C)N(S(=O)(=O)c3ccccc3)c3ccccc32)cc1 2371890 LHNNDXWDEYNWKT-RUZDIDTESA-N 405.563 5.679 0 40 HKAB CC(C)=CCOc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1 2666290 OVIAIGOPOQTGQB-UHFFFAOYSA-N 408.803 6.477 0 40 HKAB biogenic Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)c3ccc(C(C)C)cc3)o2)c1 2684333 VZZKZDXARPKSRP-UHFFFAOYSA-N 424.566 6.179 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1ccccc1Br 3194325 RCLVCKDSGVFXHP-UHFFFAOYSA-N 412.127 5.739 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H](Sc1ncnc2ccccc12)c1ccccc1 3245820 YVFBUWNHBOHZJU-JOCHJYFZSA-N 415.518 5.419 0 40 HKAB O=C(CCN1c2ccccc2Sc2ccccc21)OCC(=O)c1cccc(Cl)c1 3274881 XUNMXVAINILHJK-UHFFFAOYSA-N 423.921 5.759 0 40 HKAB CCc1ccc2[nH]c(C)c(CC(=O)Nc3ccc4c(c3)c3ccccc3n4CC)c2c1 4561743 PHLVAOHECJTTEH-UHFFFAOYSA-N 409.533 6.348 0 40 HKAB CCc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C(C)(C)C)CC4)cc1 4660820 YHDHWVMPZUJQPS-KRWDZBQOSA-N 411.567 5.947 0 40 HKAB Cc1cccc(OCC(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c1 4703861 LKDUGYGGXAHZII-UHFFFAOYSA-N 400.478 5.944 0 40 HKAB COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(Cl)c2)c1 4715808 VTRIQAINEKLPKE-XUZZJYLKSA-N 420.896 5.600 0 40 HKAB CC(C)(C)c1cc(CCC2=NCCc3c2[nH]c2ccccc32)cc(C(C)(C)C)c1O 4765443 UADSCLOJPZNERG-UHFFFAOYSA-N 402.582 6.447 0 40 HKAB CCCCN1C(=S)SC(C)(C)[C@H]1N(O)C(=O)Nc1cccc2ccccc12 4795227 TUFSRHQSEXGCFO-QGZVFWFLSA-N 403.573 5.301 0 40 HKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 5477608 VZCKHTQTKOKOPE-UHFFFAOYSA-N 422.598 5.381 0 40 HKAB Clc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)C2)cc1 5519675 LJMHRMWLGXZFSV-OAQYLSRUSA-N 401.724 7.003 0 40 HKAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1ccc(F)cc1)CCCC3 5548408 BMCVZBHPZXRKML-UHFFFAOYSA-N 408.513 6.513 0 40 HKAB Cc1[nH]c2ccccc2c1C(c1ccc(O)c(Cl)c1)c1c(C)[nH]c2ccccc12 5677995 IVHJEXQJXNUPEC-UHFFFAOYSA-N 400.909 6.805 0 40 HKAB COc1ccc(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 5720422 KWPTUQZMSCPMID-UHFFFAOYSA-N 401.487 5.992 0 40 HKAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)N1CCc2ccccc2C1 6114617 IOLMASGQPZCVEU-UHFFFAOYSA-N 417.559 5.035 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)Nc1nc(-c3ccc(C)c(C)c3)cs1)[C@H]2C(=O)O 6401098 AIKRVADVIYMACM-JSJNYSNDSA-N 410.539 5.059 0 40 HKAB CC[C@@H](C)C(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccco2)c2ccccc21 6662362 NRNRYUUUBITFNB-MSYCTHLASA-N 416.521 5.839 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)[nH]2)c1 6837186 DQYGWNVDPPBXCP-UHFFFAOYSA-N 407.326 5.126 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 6966843 JROQKGQYFJNXIJ-UHFFFAOYSA-N 404.941 5.129 0 40 HKAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)Nc1ccccc1 7061454 SIMIDKZWENJHGN-UHFFFAOYSA-N 401.900 5.336 0 40 HKAB CCCc1n[nH]c(=S)n1NCc1c(OCc2ccc(F)cc2)ccc2ccccc12 7601345 HUTFFHAMVDBTSC-UHFFFAOYSA-N 422.529 5.508 0 40 HKAB CC[C@@H](C)c1ccc(OCc2nnc(NC(=O)Nc3ccccc3OC)s2)cc1 8743198 VPDOFDIMLWTJJV-CQSZACIVSA-N 412.515 5.283 0 40 HKAB O=C(N[C@H]1CCCc2ccccc21)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 8986799 CKYZIFKMJFUTFJ-SFHVURJKSA-N 419.834 5.352 0 40 HKAB Cc1cc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)ccc1Br 9063298 OXYQBYGFPVWIIX-UHFFFAOYSA-N 421.766 5.262 0 40 HKAB Fc1ccccc1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 9292398 SYBBVXWKLQAOTA-TZIWHRDSSA-N 422.301 6.084 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2cccc3ccccc23)cs1 9630189 PGFKXXCATKAALH-UHFFFAOYSA-N 410.951 6.348 0 40 HKAB CC(C)c1ccc(CC(=O)N(Cc2ccco2)c2nc3c(F)cccc3s2)cc1 10097039 NKNBBSHLZMVCBY-UHFFFAOYSA-N 408.498 5.928 0 40 HKAB C[C@H](NCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 10315499 GEUFYPMTYMMXRC-KRWDZBQOSA-N 409.360 6.847 0 40 HKAB CCc1cc2c(=O)c(-c3nc(C)cs3)c(N)oc2cc1OCc1ccc(F)cc1 11867298 MMNLJWWFGGAYKB-UHFFFAOYSA-N 410.470 5.088 0 40 HKAB Cc1cc2oc(C(=O)Nc3onc4c3C[C@@H](C(C)(C)C)CC4)cc(=O)c2cc1Cl 11915237 APRPUDVISBSSSQ-LBPRGKRZSA-N 414.889 5.146 0 40 HKAB Cc1ccc(C)c(Cn2c([C@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)c1 12447218 GANAYFSRMHCTMD-QFIPXVFZSA-N 409.533 5.530 0 40 HKAB Cc1cc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)c(C)n1C[C@H]1CCCO1 13058233 HOGXUFFRWFBKGH-QGZVFWFLSA-N 415.946 5.313 0 40 HKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 13685246 INHLHBWIXXMXIZ-LJQANCHMSA-N 424.500 5.176 0 40 HKAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc(Cl)c4)=NN23)cc1OC 13770228 FFRJHCZUBLVPPE-YKSBVNFPSA-N 420.896 5.600 0 40 HKAB COc1ccc2oc(-c3ccc(NC(=O)COc4ccc(Cl)c(C)c4)cc3)nc2c1 13838138 RKKDFOIHZJDITN-UHFFFAOYSA-N 422.868 5.483 0 40 HKAB Cc1ccc(-n2c(SCC(=O)C(C)(C)C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 16789101 KBXGELMRBQSDJX-UHFFFAOYSA-N 421.610 6.248 0 40 HKAB Cc1c(NC(=O)COc2ccccc2Cl)cccc1-c1nc2ccccc2s1 17088141 OWOGFUWVXMASBT-UHFFFAOYSA-N 408.910 5.943 0 40 HKAB Cc1cc(OCC(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc(C)c1Cl 17093379 CBGAVQPPEMDUTP-UHFFFAOYSA-N 422.937 6.251 0 40 HKAB COc1ccc(/C=C(\NC(=O)c2ccccc2)c2nc3ccccc3s2)c(OC)c1 17188208 ZFCZPESPXDOQGX-ZHZULCJRSA-N 416.502 5.242 0 40 HKAB O=C1[C@@H]2CC[C@H](c3ccccc3)C[C@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 17988447 UZVJZEBIAJGTMG-NUEKZKHPSA-N 407.819 5.432 0 40 HKAB CC(=O)N[C@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(-c3cccc(F)c3)cc2)C1 19020970 SSOHCRQAKSQKQF-GGAORHGYSA-N 423.557 5.039 0 40 HKAB C[C@H](c1cc(Cl)ccc1Sc1cc(Cl)ccc1Cl)N1CCN(C)CC1 19802186 LBZVALDPKCKVAO-CYBMUJFWSA-N 415.817 6.106 0 40 HKAB CCCOc1ccc(C2=C/C(=C3/N=C(c4ccccc4)OC3=O)c3ccccc3O2)cc1 20070036 VDVWMKJHGWKYJP-LVWGJNHUSA-N 423.468 5.624 0 40 HKAB O=C1C2=C(CCCC2)[C@H](OCCC2CCCCC2)N1CCc1ccc(Cl)cc1 20169463 HDYFNCRDTDAPRC-DEOSSOPVSA-N 401.978 5.908 0 40 HKAB CC(C)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)c(Br)c1 20495313 MCSHHNXJMKGQCK-IBGZPJMESA-N 402.332 5.145 0 40 HKAB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(-c2ccccc2)cc1 20610346 KNKKOWMTNLOSHS-UHFFFAOYSA-N 408.436 5.479 0 40 HKAB CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2NCc2ccc(F)cc2)cc1 23109724 GNRJSBONZWXTFO-UHFFFAOYSA-N 420.509 5.381 0 40 HKAB CCOc1ccc(-c2cc3c(SCc4ccccc4C)nccn3n2)cc1Cl 23126599 JIMJWMNDQRQVQL-UHFFFAOYSA-N 409.942 6.049 0 40 HKAB Fc1ccc(CN[C@H]2CCCc3c2cnn3Cc2ccccc2)cc1Br 27222912 XOEMMOCUENHZTG-FQEVSTJZSA-N 414.322 5.000 0 40 HKAB O=C(CSc1nn2c(-c3ccccc3)nnc2s1)c1ccc(Cl)c(Cl)c1 27525858 YWHYOEMLSUSNQA-UHFFFAOYSA-N 421.334 5.135 0 40 HKAB Clc1ccccc1OCc1nnc(SCc2cccnc2)n1-c1ccccc1 27809507 KJWYCCBVBNHOPI-UHFFFAOYSA-N 408.914 5.187 0 40 HKAB Cc1ccc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)c(C)c2c1 28291257 UPRDQEMOAUEHOF-QHCPKHFHSA-N 418.581 5.914 0 40 HKAB Cc1ccc(C(=O)n2c(N)c(C(=O)Nc3cccc(Cl)c3)c3ccccc32)cc1 28535119 RBMARUQSYFZHPX-UHFFFAOYSA-N 403.869 5.126 0 40 HKAB CSc1nc(C(C)C)nc(C)c1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 32759924 NYOYPKZENZKVBQ-UHFFFAOYSA-N 420.510 5.284 0 40 HKAB CC(=O)c1ccc(NC(=O)[C@@H](C)SCc2csc(-c3ccsc3)n2)cc1 32779139 AUUYFVVAHOHXCN-CYBMUJFWSA-N 402.566 5.335 0 40 HKAB CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OCc1ccc(Cl)cc1Cl 33323438 YJPHRXUIMMHLAM-IUXPMGMMSA-N 423.321 5.110 0 40 HKAB CCn1c(COc2ccc3ccccc3c2C)nnc1SCc1ccccc1Cl 33693416 HPUYSAQCLYDNGH-UHFFFAOYSA-N 423.969 6.284 0 40 HKAB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 35264247 MVEZKSGVOLVZQA-KPKJPENVSA-N 421.840 5.152 0 40 HKAB Cc1ccc(NC(=O)[C@@H](NCCc2c[nH]c3ccccc23)c2ccccc2)cc1Cl 36398645 FOYQVPLPPTUFMU-DEOSSOPVSA-N 417.940 5.642 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)N1CCC(Cn2cnc3ccccc32)CC1 36708945 WUKNAJJTGJZBFQ-UHFFFAOYSA-N 424.548 5.248 0 40 HKAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1cccnc1 37868563 OHFRJZYCAMAOTN-RNWIMVQKSA-N 409.470 5.287 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 40134541 LAIGXCPKXULTON-UHFFFAOYSA-N 422.838 5.046 0 40 HKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2cccc(F)c2)cc1 40486016 DADPRVFNMKHPPU-QFIPXVFZSA-N 407.872 5.840 0 40 HKAB Cc1ccc(NC(=O)OCC2CCCCC2)cc1NC(=O)OCC1CCCCC1 55129402 QWHRRTUAFOZZOV-UHFFFAOYSA-N 402.535 6.253 0 40 HKAB CCc1ccc([C@@H](NCC(=O)Nc2ccnn2C2CCCC2)c2cccc(F)c2)cc1 57270663 RPTIDLVECVXBKE-RUZDIDTESA-N 420.532 5.017 0 40 HKAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2cccc(Cl)c2)[nH]n1 57412528 GPNVTOSVVBKNBZ-UHFFFAOYSA-N 401.853 5.213 0 40 HKAB COc1ccc(C(=O)CSc2nc(SCc3cccc4ccccc34)n[nH]2)cc1 70503700 XBJGCEHRZIPAEX-UHFFFAOYSA-N 421.547 5.234 0 40 HKAB CCC[C@H](CNC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 72427525 NLSUOEVDVZOXHE-JOCHJYFZSA-N 407.941 6.233 0 40 HKAB O=C(C1CCCCC1)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@H]1c1cccs1 84436810 RERCCWDBYQQMRQ-JQEZJJARSA-N 410.608 6.513 0 40 HKAB Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NC2CCC2)c2ccccc2O3)s1 96053389 JMEQMJPCZBKLTJ-IBGZPJMESA-N 424.610 5.016 0 40 HKAB C(=C(c1ccccc1)c1ccccc1)c1nn2c(-c3cc4ccccc4o3)nnc2s1 96193964 CYVXBFBAFSQJSX-UHFFFAOYSA-N 420.497 6.188 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1 106718827 PCZHBAZAZMYIDD-XYLCRUHJSA-N 417.530 6.254 0 40 HKAB O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccc(F)cc1Cl 106734472 QIKDFFZSHROUMV-CHHVJCJISA-N 415.795 5.734 0 40 HKAB COc1ccc(-c2nnc(-c3ccc(F)cc3)n2-c2cccc(C(F)(F)F)c2)cc1 199411837 VUKSAOMYQPUAQE-UHFFFAOYSA-N 413.374 5.768 0 40 HKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 216231463 FLUZTGGPGKCJSR-ZBBKGZSWSA-N 417.593 6.684 0 40 HKAB CC(C)c1ccc(OCC(=O)NCc2ccc3ccccc3c2)c(Br)c1 222786699 WUFDTMKBQXEECJ-UHFFFAOYSA-N 412.327 5.421 0 40 HKAB S=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1ccc(N2CCCC2)nc1 223988076 ABTQVNDAICVGKK-UHFFFAOYSA-N 415.006 5.134 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)c1 224242289 HVAFRFQFLBLOEI-BJKOFHAPSA-N 410.546 5.358 0 40 HKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 224395490 IGRCNJIKCBPABX-FGZHOGPDSA-N 406.530 5.314 0 40 HKAB CC(C)(C)CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 224402133 KOCZKIYEJKJFFF-UHFFFAOYSA-N 422.978 5.085 0 40 HKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 224444523 QEIWMJKZLPVWHB-GOTSBHOMSA-N 415.493 5.658 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccccc1C(C)C 224564478 VTHCAOXSVXDGQU-UHFFFAOYSA-N 417.549 6.657 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccco2)N1c1ccc(OC2CCCC2)cc1 225360627 FSBJGYLBTCWQSP-VXKWHMMOSA-N 405.523 5.173 0 40 HKAB CC[C@H]1N=C(c2cccc(C(F)(F)F)c2)c2cccn2-c2cc3c(cc21)OCCO3 225375397 KSIACTUFISBXIR-QGZVFWFLSA-N 412.411 5.569 0 40 HKAB CC1(C)C[C@@H](NC(=S)Nc2ccc(Br)cc2F)c2ccccc2O1 225577543 SPQMCMRKOHVZBZ-OAHLLOKOSA-N 409.324 5.177 0 40 HKAB CC(C)c1ccc2oc(-c3cc(Br)c(O)c(Br)c3)nc2c1 226291215 SQHXDZURTUKTFM-UHFFFAOYSA-N 411.093 5.849 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](C(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C 253609155 CGHGJNRXRSZLJH-LEGICGBYSA-N 414.674 7.729 0 40 HKAB Cc1ccc(CN(CC(=O)O)C(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)cc1 257275563 NPXGMCKZHMPDBH-UHFFFAOYSA-N 412.489 5.179 0 40 HKAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN3[C@H](C)c3ccncc3)cc2n1 257289307 PYAXCEDGKCRUTM-RDTXWAMCSA-N 403.452 5.165 0 40 HKAB CCOc1cc(C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(C)cc1 408551849 GOERIJSGVJSMRK-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB Cc1ccc(COc2ccc([C@@H]3SCC(=O)N3c3ccc(Cl)cc3)cc2)cc1 408553700 BLNJTNGRUFYTRZ-QHCPKHFHSA-N 409.938 6.006 0 40 HKAB CCCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(CC)c1-c1ccccc1 408561565 JSULSFXTHJANDQ-FLFQWRMESA-N 419.377 6.237 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)cc3C)n2)cc1 408693824 FKGLXTWDCWYSQU-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3)nc2-c2cccc(Cl)c2)c1 408699957 XTNBSVPJFOZXID-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)o1 408818658 YHIFQSFLVJEBJR-UNOMPAQXSA-N 405.431 5.194 0 40 HKAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 408979447 QPPKZMCWRAXXHS-INIZCTEOSA-N 421.456 5.741 0 40 HKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)cc1 409120738 SLPQRLVZGNOOPT-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1ccc(OCc2nn(CC(=O)Nc3cccc(Cl)c3Cl)c(=S)o2)cc1 409150280 BDFBOVJALHXFMQ-UHFFFAOYSA-N 424.309 5.039 0 40 HKAB Cc1ccccc1OCCOc1ccc(C(=S)N2CCc3ccccc3C2)cc1 409194865 DIQCUKJDXVZEAS-UHFFFAOYSA-N 403.547 5.187 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(F)cc3)c(OC)c2)cc1 409379460 XXMHIDJMJVCQMQ-UHFFFAOYSA-N 408.473 5.026 0 40 HKAB O=C(NC[C@@H]1CC2c3ccccc3C1c1ccccc12)c1cc(O)nc2cc(F)ccc12 523511548 MFHLDGUFGLBNDQ-GZEYXDHESA-N 424.475 5.107 0 40 HKAB Fc1cccc([C@@H]2CN(Cc3ccccc3)[C@H]3CCN(Cc4ccco4)C[C@H]32)c1F 1848354068 LDNBDJWNGFYUCP-FIXSFTCYSA-N 408.492 5.048 0 40 HKAB CCOC(=O)c1c(NC(=O)CSc2ccc(Cl)cc2)sc2c1CCCC2 984176 UJTDNKMJEUWJDV-UHFFFAOYSA-N 409.960 5.188 0 40 HKAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1S(=O)(=O)c1ccc(F)cc1 1018066 UKCJPDSSFGHAPX-XMMPIXPASA-N 409.526 5.509 0 40 HKAB COc1ccc([C@H](OC(=O)C(c2ccccc2)c2ccccc2)[C@@H](C)N(C)C)cc1 1758879 DZUUHEOUVSUUCX-KBMIEXCESA-N 403.522 5.062 0 40 HKAB O=C1S/C(=C\c2ccccc2Cl)C(=O)N1CNc1ccc(Cl)c(Cl)c1 1877636 MVKBNELHBCGULU-CHHVJCJISA-N 413.713 5.753 0 40 HKAB CCOc1ccc(-n2c(C)c(C(=O)OC3CCCCC3)c3cc(OC)ccc32)cc1 2060221 PLDDGPXHKWZWKC-UHFFFAOYSA-N 407.510 5.836 0 40 HKAB biogenic Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Oc3ccc(Cl)cc3)c2c1 2336989 LYPFXEMEMYVRNM-UHFFFAOYSA-N 408.284 6.736 0 40 HKAB O=c1oc2ccc(Br)cc2c(-c2ccccc2)c1-c1ccccc1Cl 2576876 RGQSGEZANTVSFD-UHFFFAOYSA-N 411.682 6.543 0 40 HKAB biogenic O=C(N[C@H]1CCCc2ccccc21)c1oc2ccccc2c1CSc1nccs1 2650821 VQQZMYZWVWGWDK-IBGZPJMESA-N 420.559 5.989 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc(C)c(C)c1 2789134 SPBSCWXAZWBYKV-UHFFFAOYSA-N 409.507 5.226 0 40 HKAB Cc1sc2ncn3nc(-c4ccc(COc5ccc(F)cc5F)o4)nc3c2c1C 2790353 BLNWMUKKDTTYOR-UHFFFAOYSA-N 412.421 5.073 0 40 HKAB CCCn1c(SCc2ccc(OC)cc2)nc(-c2ccccc2)c1-c1ccccc1 3047404 CWQPCSHAMCNAOU-UHFFFAOYSA-N 414.574 6.928 0 40 HKAB O=C(Nc1ccc(Oc2ccc(NC(=O)c3cccs3)cc2)cc1)c1cccs1 3162777 JSAQHXIQUFLXCF-UHFFFAOYSA-N 420.515 6.107 0 40 HKAB COc1ccc(CCSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 3324654 ZTCINDHOAKHYQG-UHFFFAOYSA-N 401.535 5.586 0 40 HKAB Cc1cc(C)c(C(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1C 3364628 HTVOYBOCLOVEMV-UHFFFAOYSA-N 423.563 5.548 0 40 HKAB CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)Nc1ccccc1 4044334 YZEYNPFQLPXVOR-DOEKTCAHSA-N 404.598 6.642 0 40 HKAB biogenic CCOc1ccc(Nc2c(S(=O)(=O)c3ccccc3)cnc3ccccc23)cc1 4193546 BPQPOEFMAWPPAZ-UHFFFAOYSA-N 404.491 5.210 0 40 HKAB COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 4715840 AEGDELKUDBWWDG-URXFXBBRSA-N 404.441 5.085 0 40 HKAB CCCOc1ccc2c(=O)c(-c3cc(C(=O)OC)oc3C)c(C(F)(F)F)oc2c1C 6500890 ZORMSDAKOCCOJJ-UHFFFAOYSA-N 424.371 5.264 0 40 HKAB CCOc1ccc(NC(=O)c2nc(SCc3ccccc3C)ncc2Cl)cc1 6748150 DXPANSUSDNFFIE-UHFFFAOYSA-N 413.930 5.382 0 40 HKAB Cc1c(Cl)ccc2sc(N(CCCn3ccnc3)C(=O)c3cccs3)nc12 7424811 NBZPONOCLGTLPY-UHFFFAOYSA-N 416.959 5.253 0 40 HKAB CCOc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1 8254637 XUDRYYLTCRZXCH-UHFFFAOYSA-N 400.522 5.478 0 40 HKAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(OCC(C)C)cc2)S1 8277572 FJZPQFCEFFFNFI-YBFXNURJSA-N 400.931 5.575 0 40 HKAB COc1cccc(CNCc2ccccc2Cl)c1OCc1ccc(Cl)cc1 8495332 JWKXHBSKZQIIGS-UHFFFAOYSA-N 402.321 5.871 0 40 HKAB C[C@@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)C1C2CC3CC(C2)CC1C3 8857553 NEMGAFSQKUFJSM-XXUCPIKUSA-N 422.805 5.386 0 40 HKAB O=C(c1ccccc1)c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 9377994 RPEFDYINUSEWHU-OAQYLSRUSA-N 412.514 5.505 0 40 HKAB Cc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2cccc(C)c2C)c1 9463987 XXKSCVTYMLAWPN-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB Cc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccc(Cl)cc3)c2=O)cc1C 9937600 UYESLJIQYXBLSZ-UHFFFAOYSA-N 424.953 5.149 0 40 HKAB C[C@@H](Sc1nncn1-c1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)no1 10658206 UJSDLVUHMFJUDA-GFCCVEGCSA-N 417.416 5.189 0 40 HKAB CCc1ccc2oc(C(=O)Nc3nonc3-c3ccc(OC(C)C)cc3)c(C)c2c1 11913972 ADELIBBXSFGDQB-UHFFFAOYSA-N 405.454 5.393 0 40 HKAB Nc1c(C(=O)Nc2cccc(Cl)c2Cl)sc2nc(-c3ccccc3)ccc12 12249668 BFPCNCXNMWAGNE-UHFFFAOYSA-N 414.317 6.105 0 40 HKAB Cc1ccc(NC(=O)[C@@H](OC(=O)c2n[nH]c3ccccc23)c2ccccc2)cc1Cl 12532391 CRAPOEDHDLLRLA-NRFANRHFSA-N 419.868 5.062 0 40 HKAB Cc1ccc(NC(=O)[C@H](OC(=O)c2n[nH]c3ccccc23)c2ccccc2)cc1Cl 12532393 CRAPOEDHDLLRLA-OAQYLSRUSA-N 419.868 5.062 0 40 HKAB CC(=O)Oc1ccc(-c2ccc(C(=O)O[C@H](C)C(=O)c3cccc(Cl)c3)cc2)cc1 12925010 JARNDGZWURUZAW-OAHLLOKOSA-N 422.864 5.361 0 40 HKAB Cc1ccc(Cl)cc1-c1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)o1 14009736 NTPPLLJLGQRUSI-YBFXNURJSA-N 410.832 5.140 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1OC 15008950 RDUIQHMUAZSZOW-MQMKENTISA-N 415.486 5.248 0 40 HKAB O=C(CCC1CCCC1)Nc1cccc2c(NC(=O)CCC3CCCC3)cccc12 16431578 BGASORRMNWRESL-UHFFFAOYSA-N 406.570 6.658 0 40 HKAB CC(C)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 16768339 HPIJNBIDDWJLNJ-UHFFFAOYSA-N 424.470 6.564 0 40 HKAB O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1ccc(Cl)s1 17178308 DSAFQSDXQWSTLI-UHFFFAOYSA-N 420.715 5.647 0 40 HKAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[C@@H](C)c4ccccc4)c(C)c3cc12 20427648 BJEZLQXRXZTCAX-KRWDZBQOSA-N 403.478 5.274 0 40 HKAB O=C(Nc1ccccn1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20744952 DSOUNIIBBWLVAE-QHCPKHFHSA-N 411.505 5.167 0 40 HKAB Cc1ccc(C(=O)C2CCN(C(=O)c3sc(-c4ccc(C)o4)nc3C)CC2)c(C)c1 25303126 OGSMDLDEFNPBRI-UHFFFAOYSA-N 422.550 5.372 0 40 HKAB Clc1ccc(-n2c(SCc3cccnc3)nnc2-c2ccncc2)cc1Cl 27776675 RERWMAYSEHCSLB-UHFFFAOYSA-N 414.321 5.323 0 40 HKAB CC(C)c1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCCC2)cc1 28291846 RSOGVNYDSCGQCJ-NRFANRHFSA-N 423.582 5.484 0 40 HKAB COc1ccc(CN(C(=O)c2oc3c(C)cc(C)cc3c2C)c2ccccn2)cc1 28292732 QVYIXBVTPHGCIU-UHFFFAOYSA-N 400.478 5.609 0 40 HKAB O=C1c2cc3ccccc3nc2N[C@@H](c2ccc(C(F)(F)F)cc2)N1c1ccccc1 30947954 FTLKOZIGQQXNRE-JOCHJYFZSA-N 419.406 6.025 0 40 HKAB Cc1ccc(Sc2ccc(CN(Cc3ccco3)C(=O)c3ccc(F)cc3)o2)cc1 32593317 BHFDWCLTDARIQM-UHFFFAOYSA-N 421.493 6.314 0 40 HKAB CCCCOc1ccc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)c2cccnc12 32622571 OBDSHRVHMAIVJA-UHFFFAOYSA-N 416.477 5.389 0 40 HKAB O=S1(=O)[C@H]2C=CC=C[C@@H]1c1c2c(-c2ccccc2)c2ccccc2c1-c1ccccc1 45070960 GDVYVXDSJJLKOV-PSWAGMNNSA-N 420.533 6.810 0 40 HKAB Cn1c([C@@H](NC(=O)c2ccccc2C(F)(F)F)c2ccccc2)nc2ccccc21 58378281 BAJOMIMADXSQLP-FQEVSTJZSA-N 409.411 5.112 0 40 HKAB C[C@@H]1CCCCN1C(=O)c1ccc2oc(-c3cc(Cl)c(Cl)c(Cl)c3)nc2c1 59842995 KXUIJSYUVSQPCO-LLVKDONJSA-N 423.727 6.470 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1C 65607056 ICGUEMCJIQCEJK-UHFFFAOYSA-N 412.411 5.892 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(C)[C@@H](C)c3ccncc3)cc12 71939463 NQSGAAWNHKNJTK-HNNXBMFYSA-N 424.957 5.336 0 40 HKAB Cc1cccnc1NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 72401059 DCDNNLWKTUBSTL-JOCHJYFZSA-N 417.553 5.214 0 40 HKAB CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@H](c2ccc(C(F)(F)F)cc2)S1 85411834 LPOFSJAKTQUDBK-KRWDZBQOSA-N 409.477 5.977 0 40 HKAB COC(=O)c1ccc(-c2cc(C(F)(F)F)cc(-c3ccc(C(=O)OC)cc3)n2)cc1 91695627 ABYOIKUROGOTRP-UHFFFAOYSA-N 415.367 5.008 0 40 HKAB CC1=C[C@@H](C)[C@@H](C2OCC3(CO2)COC([C@H]2[C@H](C)C=C(C)C[C@H]2C)OC3)[C@@H](C)C1 100740822 JLEHIYGUDHRGOJ-SMGKMRLQSA-N 404.591 5.195 0 40 HKAB Cc1cccc([C@H]2CC3=Nc4nc(C)nn4[C@H](c4cc(F)cc(F)c4)C3=C(O)C2)c1 102681075 UECYRFZKKOZGIK-OYHNWAKOSA-N 406.436 5.238 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2c1cc(C(F)(F)F)[nH]n1 118915691 VDGOOKRFIJJCSX-MWKMPQFCSA-N 410.524 5.916 0 40 HKAB in-vitro CC1=C(CC[C@@H](C)CO)O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 118936261 KIDQUNOGEXTBNB-ZKXFSUIBSA-N 414.630 5.618 0 40 HKAB Cc1cccc(CCCNC(=O)COc2ccc3ccccc3c2Br)c1 218905609 MCJFOHPOKQMGSX-UHFFFAOYSA-N 412.327 5.039 0 40 HKAB CC(C)Sc1ccccc1C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219659908 UTGKFJMRRKVZFW-UHFFFAOYSA-N 401.919 5.163 0 40 HKAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccccc2Sc2ccccc2)S1 222606145 BPSSCIFRCNXIPC-USCONSEESA-N 403.576 5.822 0 40 HKAB O=C(CSCc1ccc(Br)cc1)NCc1cccc2ccccc12 222830036 MTRVDAUSAPTGAD-UHFFFAOYSA-N 400.341 5.152 0 40 HKAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1C 223972900 KMXCIVOUHAURTQ-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 224209786 IQKLTWZPCSJBTH-ZEQRLZLVSA-N 416.594 5.874 0 40 HKAB CCCOc1c(C)cc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C 225578431 ULLIFTDUTUMASR-UHFFFAOYSA-N 401.934 5.433 0 40 HKAB O=C(NC[C@H](O)c1csc2ccccc12)NC(c1ccccc1)c1ccccc1 225699522 LUPXRAQJINHHJY-NRFANRHFSA-N 402.519 5.024 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c2ccccc12 225759383 QDOZEIAXWCGCFK-UHFFFAOYSA-N 401.550 6.778 0 40 HKAB CCOC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c1 225768787 CUUGEBDNDYALJH-QHCPKHFHSA-N 418.562 5.556 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)c2ccccc12 225915080 FDKVWMDILKTLAM-UHFFFAOYSA-N 419.521 5.565 0 40 HKAB COc1cccc2c1CCC[C@H]1O[C@@H]3c4cc(C(=O)O)ccc4OC(C)(C)[C@H]3C[C@@H]21 257258620 KUUHXAWDLOVXDW-VARILPKDSA-N 408.494 5.131 0 40 HKAB CCc1s/c(=N\C(=O)c2ccc(Br)cc2)n(CC)c1-c1ccccc1 408563370 VNEBXGODBGJBEH-XDOYNYLZSA-N 415.356 5.303 0 40 HKAB COc1ccc(OCCCC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 408705355 CWCLNHMDBGDWJN-UHFFFAOYSA-N 421.562 6.094 0 40 HKAB Cc1ccccc1CSCCNC(=O)CSCc1ccccc1Br 409028148 HWRVHIFWMQQMER-UHFFFAOYSA-N 424.429 5.040 0 40 HKAB COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 409100061 PNLAFCYYWLBVOP-UHFFFAOYSA-N 421.953 5.812 0 40 HKAB CCc1ccccc1NCc1cc(Br)ccc1OCc1ccc(C)cc1 409135072 QYBBXZKHGIJKEW-UHFFFAOYSA-N 410.355 6.511 0 40 HKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(F)cc2)nc1-c1ccc(F)cc1 409204184 CXCLFIBWLLLIRG-UHFFFAOYSA-N 414.477 5.642 0 40 HKAB O=C(Oc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Cl)cc1Cl 409251616 PZMAPRXNXHZQNI-UHFFFAOYSA-N 400.286 6.489 0 40 HKAB c1ccc(C[C@@H]2COC(c3cccc(C(c4ccccc4)c4ccccc4)n3)=N2)cc1 1988181062 GHRIFGCHRUEFAC-XMMPIXPASA-N 404.513 5.650 0 40 HKAB C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 663039 BLKGOEBISCPGCY-IERDGZPVSA-N 412.942 5.481 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2C(N)=O)C1 668936 KQARDHCXFOGAFT-NXHRZFHOSA-N 410.583 5.130 0 40 HKAB COc1ccc(-n2nnnc2-c2cnc3ccc(Cl)cc3c2-c2ccccc2)cc1 721431 YSRDUUMPSBWZMO-UHFFFAOYSA-N 413.868 5.207 0 40 HKAB COc1ccc(-c2c(C)oc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1OC 728051 RLIFOUBTDSMBEN-UHFFFAOYSA-N 422.458 5.066 0 40 HKAB biogenic Cc1cccc(-c2nc3cc(NC(=O)c4cccc(Br)c4)ccc3o2)c1 865349 JJDJPPRRVAHEOL-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C(C)(C)C)CC4)c1 944543 MBZNDJBKZOWREV-KRWDZBQOSA-N 411.567 6.001 0 40 HKAB Cc1nc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccccc1Cl 1379005 WOQPALDCXYKHOK-UHFFFAOYSA-N 406.294 5.263 0 40 HKAB Brc1ccc(-c2cn3nc(COc4ccccc4)n4c3c2CCCC4)cc1 1427461 OPVUTLKUAZYANQ-UHFFFAOYSA-N 422.326 5.481 0 40 HKAB O=C(CSc1ccccn1)Nc1ccc2nc(SCc3ccccc3)sc2c1 1445639 OICNFHJTLWDWQI-UHFFFAOYSA-N 423.588 5.714 0 40 HKAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(SCCc4ccccc4)c23)CO1 2229233 UVOROXLTBLZOJJ-OAQYLSRUSA-N 416.637 5.989 0 40 HKAB Cc1ccc(NC(=O)CCn2nc(-c3ccc(Cl)cc3)c3ccccc3c2=O)cc1 2261514 LKFRERGJFXPLEG-UHFFFAOYSA-N 417.896 5.054 0 40 HKAB CC(=O)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccc(C)cc4)cn13)CCCC2 2284338 JQBFZPZFOFQUAZ-UHFFFAOYSA-N 402.925 6.576 0 40 HKAB CCCCc1nc2sc3c(N4CCCCC4)nc(SC)nc3c2c2c1CCC2 2436901 USKRIANDPXQYCA-UHFFFAOYSA-N 412.628 5.783 0 40 HKAB CC[C@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(Cl)cc1 2706418 QZIVIZAWOXRFOX-AWEZNQCLSA-N 420.007 5.510 0 40 HKAB O=C(Nc1nc2ccccc2s1)N[C@H](Oc1ccccc1)C(Cl)(Cl)Cl 3165239 XKSXPADHFPFQKW-CYBMUJFWSA-N 416.717 5.193 0 40 HKAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccc(F)c(Cl)c1 3225736 SWAHOBCPRQAJLD-UHFFFAOYSA-N 424.815 5.083 0 40 HKAB CCOCc1c(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)oc2ccccc12 3388761 IDUAELNYNQFWER-UHFFFAOYSA-N 422.506 5.662 0 40 HKAB O=C(COC(=O)c1ccccc1Oc1ccccc1)c1ccc(Br)cc1 3429242 KJMQKLJSPIRVCT-UHFFFAOYSA-N 411.251 5.281 0 40 HKAB C[C@@H](Oc1ccccc1F)C(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 3655464 MVWGBNMBVHSRHA-OAHLLOKOSA-N 403.409 5.209 0 40 HKAB CC(C)=CCC[C@@H](C)[C@H]1CC=C2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 3824121 LFQXEZVYNCBVDO-PBJLWWPKSA-N 410.686 8.009 0 40 HKAB endogenous,in-man c1ccc(-c2onc3cc(Oc4ccc5c(-c6ccccc6)onc5c4)ccc23)cc1 4575618 UWVDOZWDRDURAB-UHFFFAOYSA-N 404.425 7.095 0 40 HKAB Cc1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3ccc(Br)cc3)c12 4969940 MBCAQZFXRQFQJC-UHFFFAOYSA-N 414.306 6.312 0 40 HKAB COc1ccc2ccccc2c1/C=C/[C@]12NC(=O)CCN1c1ccc(C)cc1C2(C)C 5177563 FUNMBBVPRHUOBU-RFYAYMHSSA-N 412.533 5.184 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c(C)c1 5793585 UHQDXRMRFZLLDK-UHFFFAOYSA-N 408.885 5.227 0 40 HKAB O=C(NC1CCCCC1)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1 6197799 RBROHEAVDNPHIK-UHFFFAOYSA-N 413.477 5.174 0 40 HKAB biogenic CCCCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccccc4)cc3n2)cc1 6264748 MOVGGUBBEZWYTL-DTQAZKPQSA-N 410.521 5.723 0 40 HKAB Cc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(Cl)c2)cc1 6300249 HNXOTFXWYJRGAZ-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB Brc1ccc(C2=C[C@H](c3cccc4ccccc34)[C@@H]3N=NNC3=N2)cc1 6455343 MSEFQYCCXCIQEH-QUCCMNQESA-N 403.283 5.478 0 40 HKAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\CC(=O)O)c1nc2ccccc2s1 7156368 ZVDIXTJKCNITLU-SDNWHVSQSA-N 409.898 5.459 0 40 HKAB OCCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccc(Cl)cc1 8425708 GHMRKGWBLIZESW-UZYVYHOESA-N 423.763 5.247 0 40 HKAB CCOC(=O)c1ccc2c(c1)nc(COc1ccccc1Cc1ccccc1)n2CC 8653964 XPVHBQIWTCRFAT-UHFFFAOYSA-N 414.505 5.403 0 40 HKAB CCCc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 8745465 VBBSPLMOGBCUME-FQEVSTJZSA-N 406.551 5.575 0 40 HKAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1ccccc1C(F)(F)F 9125068 MMEYGDZAQWUAPE-UHFFFAOYSA-N 417.358 5.093 0 40 HKAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1nnc(-c2ccc(F)cc2)o1 9446182 VMPUHDXNUAWUPN-AWEZNQCLSA-N 421.501 5.246 0 40 HKAB O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccccc1 9539493 LAKAGYKBMJKZIV-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB O=C(Nc1ccccc1F)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl 12344171 ZTSTYIFSLRRGSW-IBGZPJMESA-N 404.272 5.571 0 40 HKAB O=C(OCc1nc2ccccc2n1C(F)F)c1cc(Br)ccc1Cl 12530299 XVIJMAYLZWFCTQ-UHFFFAOYSA-N 415.621 5.204 0 40 HKAB COc1ccc(C(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc23)cc1 12843081 XEQZCVOBQDRJRR-UHFFFAOYSA-N 416.930 5.344 0 40 HKAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(Br)c(C)c2)cs1 12992233 HYGRJXUMEXBQCF-UHFFFAOYSA-N 417.328 5.354 0 40 HKAB C[C@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)c1ccc(-n2ccnc2)cc1 13057468 PBLZGHCBTIQEGV-IBGZPJMESA-N 405.542 5.206 0 40 HKAB CN1C(=O)CS[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 13115495 QTZUYHXXTMDXQW-RUZDIDTESA-N 411.530 5.410 0 40 HKAB C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)\c1nc2ccccc2s1 15912174 OTJYYQSKWQAFMH-CCEZHUSRSA-N 419.509 7.066 0 40 HKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)c(Br)c2)N3)C1 15945437 NUIBQEYNEPGFHC-BMLIUANNSA-N 421.360 5.463 0 40 HKAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl 17093438 DVOZCFCCLXABPE-UHFFFAOYSA-N 423.243 5.148 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 22514264 BVVFJTXVCSJBNG-JWQCQUIFSA-N 405.538 5.909 0 40 HKAB CC(=O)Nc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn23)cc1 27585945 RMCWRKKDWBTJPO-UHFFFAOYSA-N 419.488 5.765 0 40 HKAB Cc1ccc(CN(C(=O)c2oc3cc(C)c(Cl)cc3c2C)c2ccccn2)cc1 27989959 JPMFHRHXMNFBHJ-UHFFFAOYSA-N 404.897 6.253 0 40 HKAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)Cc1csc(-c2ccccc2Cl)n1 32753942 OSHPKGOWHYKVHD-CQSZACIVSA-N 410.926 5.972 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 35289592 NKCCLYVCNLQHGD-QFIPXVFZSA-N 419.912 5.642 0 40 HKAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@@H](c3cc(F)ccc3F)N1CC2 36735072 AZEUVOQCEXPIMD-BJKOFHAPSA-N 408.448 5.054 0 40 HKAB O=C(O)CCCc1ccccc1NC(=O)OCC1c2ccccc2-c2ccccc21 38529085 NHWVYKYXTLWCJF-UHFFFAOYSA-N 401.462 5.455 0 40 HKAB CC(C)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 38833715 HGBVSFVLTSSUTI-UHFFFAOYSA-N 405.369 5.968 0 40 HKAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(OCCSc2ccccc2)cc1 44884776 TUDBPWVQMFGBOR-XMMPIXPASA-N 403.547 5.665 0 40 HKAB CC[C@@H](NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 59292196 FMFJEAFOOKAWQL-MOPGFXCFSA-N 400.906 5.109 0 40 HKAB O=C(NCCCCc1nc(-c2cccnc2)cs1)c1cccc(Cl)c1Cl 72272005 PRKHTXRQAGKYQK-UHFFFAOYSA-N 406.338 5.265 0 40 HKAB O=C(c1ccc2ccccc2n1)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1 72355877 QTXWVIVKYKUPBY-QFIPXVFZSA-N 414.896 5.323 0 40 HKAB Cc1cc(Cc2ccccc2)cc([C@H]2CCN(C(=O)c3cccc4ncccc34)C2)n1 72374764 RXTKLMYBGINJSI-QFIPXVFZSA-N 407.517 5.159 0 40 HKAB Cc1csc([C@H](NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)C2CC2)n1 84268046 LAWDHULAAOJUAG-WPMUKRGUSA-N 400.853 5.318 0 40 HKAB O=C([C@@H](Sc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1)N1CCCC1 84519348 CMHGMAZHEDEQNL-KRWDZBQOSA-N 405.445 5.038 0 40 HKAB O=C(Nc1ccc(Oc2ccncc2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 90636019 XMBRISOLVGBCBC-UHFFFAOYSA-N 407.779 6.190 0 40 HKAB COc1cccc(-n2cc(-c3nc(-c4cccc(C)c4)no3)c3ccccc3c2=O)c1 96324268 DBCPYZAOBDSBPD-UHFFFAOYSA-N 409.445 5.025 0 40 HKAB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cccs4)C3=C(O)C2)cc1 100426332 RKNZMLRFXHXJEG-FYSMJZIKSA-N 402.519 6.386 0 40 HKAB COc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 106109891 PXXRPYCMRXGPMR-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB CC1=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@]2(C)CC[C@H]1O 118931110 BWKFEXIGKBCPIS-KVUBDEIOSA-N 400.691 7.779 0 40 HKAB O=C(COc1ccc2ccccc2c1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 222833321 VWQQSGOBLDWUAH-UHFFFAOYSA-N 411.545 6.325 0 40 HKAB CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1 223030452 GXQQRYNCEXZUNJ-OAQYLSRUSA-N 403.950 5.344 0 40 HKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)Cc2ccc(Cl)cc2F)c1 224101833 QUSPXUHVPNLFCM-UHFFFAOYSA-N 420.267 6.115 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1CSc1ccc(C)cc1 224339040 IBZOJHIYEDTFDC-UHFFFAOYSA-N 407.535 5.865 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1COc1cccc(C)c1 224385835 NLBNTYLSVVAOEI-UHFFFAOYSA-N 421.493 5.242 0 40 HKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)s2)cc1Cl 224948064 MBRQWGIYGNUHCC-RBUKOAKNSA-N 415.971 5.291 0 40 HKAB Cc1ccc([C@H](NC(=S)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 225510283 DCOIAQJCHCUMNX-HXUWFJFHSA-N 400.469 6.090 0 40 HKAB CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OCC)c2)CCC(C)CC1 225856694 HIOMNNMAXBMSDJ-RKDDFOCISA-N 419.562 5.355 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1)c1ccc(C)cc1 225858233 TVPINHYGZMYJLT-LEYFIJQKSA-N 418.562 5.403 0 40 HKAB O=C(c1ccc2ccccc2n1)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257344632 ZYBUTBMVDJEYSL-QFIPXVFZSA-N 417.896 5.444 0 40 HKAB Fc1cccc(Cl)c1COc1ccc(C(=S)NCc2ccccc2Cl)cc1 408572697 HRPUUFSCQDKKFU-UHFFFAOYSA-N 420.336 6.177 0 40 HKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)cc1 408607145 NATCBEQUQBLGFM-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc(Cl)c2)nc1-c1ccccc1 408696492 AFPKUBBJPONEDV-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1cccc(C)c1NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 408738686 UWUSQDNFFWEANO-XMMPIXPASA-N 414.549 5.215 0 40 HKAB CCCc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1cc(OC)ccc1OC 408837169 ZNKZJLSFYSYBEJ-UHFFFAOYSA-N 416.930 5.686 0 40 HKAB CCOC(=O)C1=C(C)N=C(SCc2cccc3ccccc23)N[C@H]1c1ccccc1 408992284 SSSCBFBQAFUROU-QHCPKHFHSA-N 416.546 5.611 0 40 HKAB COc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccccc2)cc1 409098514 QFYSSVDCWOTUKF-UHFFFAOYSA-N 403.507 5.114 0 40 HKAB O=C1S/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N1CC1CCCCC1 409148310 YHVHDBNEARYYFM-CPNJWEJPSA-N 400.931 5.747 0 40 HKAB c1ccc([C@@H]2COC(C3(C4=N[C@H](c5ccccc5)CO4)Cc4ccccc4C3)=N2)cc1 1987970601 CXTGPFGXKVGOQY-ZEQRLZLVSA-N 408.501 5.112 0 40 HKAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)cc1 645721 XGZNFLFWTHKAFL-UHFFFAOYSA-N 413.520 5.106 0 40 HKAB COC(=O)c1c(C)n(Cc2ccc(C(C)(C)C)cc2)c2c1cc(O)c1ccccc12 717646 KPSSTTVIDKBBRU-UHFFFAOYSA-N 401.506 5.941 0 40 HKAB COc1cccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)c1 993184 JIQFZARDMCKSCC-UHFFFAOYSA-N 411.457 5.259 0 40 HKAB Cc1ccc2cc(CN(Cc3ccccc3)C(=O)c3ccccc3F)c(=O)[nH]c2c1C 1223820 JSXUAVYHEWQZKC-UHFFFAOYSA-N 414.480 5.127 0 40 HKAB O=C1NC2(CCCCC2)Nc2c1sc1c2[C@@H](c2ccccc2Cl)CC(O)=N1 1257005 SPDOWDJMIICQCH-GFCCVEGCSA-N 401.919 5.341 0 40 HKAB CCCCCCOc1ccc(Nc2c(C(=O)OCC)cnc3c(OC)cccc23)cc1 1777835 MAAVNAUQIKPBHT-UHFFFAOYSA-N 422.525 6.123 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 2188758 CCJLHKIVXBKUIK-HHHXNRCGSA-N 420.512 6.345 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1nc2ccccc2s1 2635567 JRCKWSBPVMEULT-UHFFFAOYSA-N 402.834 5.409 0 40 HKAB O=C(Cc1ccccc1)NCCCc1nc2ccccc2n1Cc1ccccc1Cl 2715313 NYXZFDWIHUJJQV-UHFFFAOYSA-N 417.940 5.030 0 40 HKAB Cc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccc(C)cc2)C[C@H]3C(F)(F)F)cc1 3012813 LNTDTRMXXJKHCL-OALUTQOASA-N 414.431 5.413 0 40 HKAB CSc1nnc2c(n1)O[C@](C)(c1ccc(-c3ccccc3)cc1)Nc1ccccc1-2 3211823 ZFYCAXWEPACNFW-XMMPIXPASA-N 412.518 5.605 0 40 HKAB CCOc1ccc(-n2c(SCc3ccccc3)nnc2-c2cccc(C)c2)cc1 3221116 ATBXGSQFJGZMCP-UHFFFAOYSA-N 401.535 5.934 0 40 HKAB C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)Nc1cc(Cl)cc(Cl)c1 3253615 CDEBOCXHQHHRGX-LLVKDONJSA-N 423.321 5.106 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 3429870 OHAGHUVXVTVNPQ-UHFFFAOYSA-N 408.910 5.943 0 40 HKAB O=C(/C=C/c1ccccc1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 4616713 LZWIZEPFVZMUHW-WVAWUGFTSA-N 418.540 6.523 0 40 HKAB c1ccc([C@@H]2C3=C(CCCC3)N3c4cccc5cccc(c45)N[C@@]34CCCC[C@@H]24)cc1 4729374 ZHJYKRIIBOWYNF-LCRMXPIESA-N 406.573 7.584 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ncc(Cl)c(Cl)c1Cl 4767105 QXAFOPXFKPXZQY-SECBINFHSA-N 411.672 5.260 0 40 HKAB Cn1c(NC(=O)c2ccccc2F)c(-c2cccc(Cl)c2)c(=O)c2ccccc21 5244383 ASLKYVSAJUEHRA-UHFFFAOYSA-N 406.844 5.250 0 40 HKAB COc1ccc2c(c1)c(C(=O)Nc1cccc3ncccc13)c(C)n2C1CCCCC1 5637693 OKSQPEDDKTZBMG-UHFFFAOYSA-N 413.521 6.264 0 40 HKAB CCCCCN(CCCCC)C[C@H](OC(C)=O)c1cc2c(c3ccccc13)CCCC2 5973196 DPKDGTMNCRDACZ-NDEPHWFRSA-N 423.641 7.005 0 40 HKAB CCOc1cc(C(=O)N2CCCCC2)cc(Br)c1OCc1ccccc1 6207241 QPRPNMJUBUBYAY-UHFFFAOYSA-N 418.331 5.053 0 40 HKAB c1csc(-c2cc(-c3nnc(SC[C@@H]4CCCCO4)o3)c3ccccc3n2)c1 6580108 DNSONBSJEGMJIM-AWEZNQCLSA-N 409.536 5.675 0 40 HKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccccc2)n(C[C@H]2CCCO2)c1C 6768017 NQBQOLLZYXYMMX-LJQANCHMSA-N 414.509 5.080 0 40 HKAB COc1ccc(OC)c(CSc2nnc(-c3ccoc3C)n2-c2ccccc2)c1 7941624 KHAIBAGJEUGLGS-UHFFFAOYSA-N 407.495 5.145 0 40 HKAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 8040800 CJAYZZFNYYZNAX-HNNXBMFYSA-N 412.382 5.427 0 40 HKAB CC(=O)c1cccc(NC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)c1 8765367 LGFQORQNTPGMCN-UHFFFAOYSA-N 417.461 5.238 0 40 HKAB biogenic CC(C)(C)c1ccc(C(=O)Nc2nnc(Cc3ccc(Cl)cc3Cl)s2)cc1 8913942 NETITVCYIPXTQU-UHFFFAOYSA-N 420.365 5.986 0 40 HKAB Cc1ccc(-n2nc(-c3ccccc3)c3cnc4c(Cl)cc(Cl)cc4c32)cc1C 9675904 GVXRKOMAZUGVNC-UHFFFAOYSA-N 418.327 7.164 0 40 HKAB O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1N1CCCC1=O 9908743 WDXUNSRTPIBHMK-UHFFFAOYSA-N 412.489 5.082 0 40 HKAB CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c(C)c1 10446325 UGKNBFKZVVOPFG-HAVVHWLPSA-N 415.489 5.360 0 40 HKAB Cc1csc(=O)n1CC(=O)Nc1nc(-c2ccc(C(C)C)cc2C(C)C)cs1 11436715 AQPRLMZIFNXLQA-UHFFFAOYSA-N 415.584 5.227 0 40 HKAB C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1 12779977 DJJURABXQRFXCK-LLVKDONJSA-N 424.309 5.075 0 40 HKAB CCOc1cccc2c1O[C@H](c1cccs1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 13036401 NVJUZPUYIFHPJK-GAJHUEQPSA-N 420.490 5.118 0 40 HKAB Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1cccs1)O2 13616542 OITZGPRIRGBLFZ-XLIONFOSSA-N 411.324 5.753 0 40 HKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1CCc1ccccc1 13688445 WXVNQXJVNJCBIH-UHFFFAOYSA-N 404.724 6.684 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(-c2nc3ccccc3s2)c1 16493231 RBWDVQXOVQRCKX-JQIJEIRASA-N 422.509 6.875 0 40 HKAB C=Cc1ccc(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)cc1 17087525 KGQUIYLBHVELDU-UHFFFAOYSA-N 406.863 6.840 0 40 HKAB O=C(c1ccccc1)c1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 18194517 BWRMTZMNENLGBU-AREMUKBSSA-N 423.537 6.390 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1 19931851 KCDAPKLVJVHLKM-IBGZPJMESA-N 405.947 5.806 0 40 HKAB CC(=O)c1cc(CCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)oc1C 21668008 GVISIJHJAVDQKL-UHFFFAOYSA-N 407.310 5.400 0 40 HKAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(OC(F)F)c(OC)c2)cc1 24392408 ZJKJCMHIRCBFEQ-GOSISDBHSA-N 405.441 5.063 0 40 HKAB CCCCc1ccc(Nc2cc(C)nc3c(-c4ccccc4Cl)c(C)nn23)cc1 27585554 VYWIJHVBTXGLQR-UHFFFAOYSA-N 404.945 6.753 0 40 HKAB Cc1ccccc1C(=O)N[C@H](C)c1nc2ccccc2n1Cc1ccc(Cl)cc1 27587719 JHFGKCFVAPKZBM-QGZVFWFLSA-N 403.913 5.537 0 40 HKAB CCc1ccc(NC(=O)c2nnc(CN(C)[C@H](C)c3cc4ccccc4o3)s2)cc1 29718473 GXQYTVZCUGMVTE-OAHLLOKOSA-N 420.538 5.292 0 40 HKAB Cc1nc(CSc2ccccc2C(=O)N2CC=C(c3ccccc3)CC2)cs1 31111242 GYOPUDYHECMDGW-UHFFFAOYSA-N 406.576 5.673 0 40 HKAB CC(=O)c1ccc(OC(=O)c2nc(SCc3ccccc3)ncc2Cl)c(C)c1 32624124 KXFTWJJXHASDQT-UHFFFAOYSA-N 412.898 5.153 0 40 HKAB CN(Cc1nc2ccccc2s1)C(=O)c1cc2cccc(Br)c2o1 32924439 MYZXXBIFHOZNEQ-UHFFFAOYSA-N 401.285 5.077 0 40 HKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1C 33736777 RBYALQHJGKMJSZ-UHFFFAOYSA-N 408.929 5.895 0 40 HKAB CCCCC1CCC(C(=O)Nc2nn3c(-c4ccc(Cl)cc4)nnc3s2)CC1 41076512 VYCBJHJXMXXSHX-UHFFFAOYSA-N 417.966 5.441 0 40 HKAB CCc1nnc2sc(-c3ccc(NC(=O)c4oc5ccccc5c4Cl)cc3)nn12 41091619 MRLWMBDYAREXAP-UHFFFAOYSA-N 423.885 5.067 0 40 HKAB COc1ccc2cc(CN(C)C(=O)CSC3=Nc4ccccc4CS3)ccc2c1 45494000 GZOGCNSEERTNJS-UHFFFAOYSA-N 422.575 5.475 0 40 HKAB CC(=O)Nc1ccc(OC(=O)c2cc3ccccc3cc2NC(=O)OC(C)(C)C)cc1 58015642 ZZYHFDNABYEWDB-UHFFFAOYSA-N 420.465 5.364 0 40 HKAB O=c1c2ccccc2nc(SCc2ccc(F)cc2F)n1Cc1ccc(F)cc1 67259289 OMAIALPKTGBLQO-UHFFFAOYSA-N 412.436 5.154 0 40 HKAB CCCCc1ccc(NC(=O)CSc2ncnc3c2[nH]c2ccc(C)cc23)cc1 72331980 JQDLFUZEHRNHLI-UHFFFAOYSA-N 404.539 5.493 0 40 HKAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)cc1 100080981 BZEVHHQWYHZHNK-CIMSBJEKSA-N 417.508 5.419 0 40 HKAB CC1(C)[C@@H]2CC[C@]1(C)c1nc(SCC(=O)c3ccc(-c4ccccc4)cc3)nnc12 100477008 AHURRZZITXAHIK-KBMIEXCESA-N 415.562 5.689 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(Cl)cc4)o3)N21 222711623 DAKZMLRQPQXEDW-TYCQWZJGSA-N 409.942 5.974 0 40 HKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 222825025 DGRJFCWWSWUPBM-ZDUSSCGKSA-N 401.919 5.388 0 40 HKAB Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 222850822 DATLIQAAIZEQOZ-RTWAWAEBSA-N 411.958 5.684 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 223098872 SMNFHNPWSCYOJF-DQEYMECFSA-N 401.550 6.144 0 40 HKAB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(F)cc2)c1 223648403 QGGNPKFZGXLDSP-UHFFFAOYSA-N 407.850 5.081 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccccc1C 224373070 NTCKHYWNJNPBID-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCc4ccccc4C3)o2)cc1 224912872 ATUSQKATEXJAHN-UHFFFAOYSA-N 410.473 5.216 0 40 HKAB CCOc1ccc(CCCNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC 224977044 AZXKYUOHNOHWGZ-UHFFFAOYSA-N 403.522 5.052 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 225531310 NLWUQURNRYZWPN-HBVBNRCBSA-N 416.521 5.263 0 40 HKAB CC[C@@H](C(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3C)no2)C1)c1ccccc1 225540843 HPEKPDODVUNVFA-PZJWPPBQSA-N 403.526 5.020 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c2ccccc12 225751792 VJZTXVLKWLDJMX-SFHVURJKSA-N 421.968 7.121 0 40 HKAB Cc1cc(C(=O)OC23CC4CC(CC(C4)C2)C3)ccc1-c1cc2ccccc2oc1=O 226358096 GRUACSCWLDNWHA-UHFFFAOYSA-N 414.501 5.894 0 40 HKAB Cc1ccc2c3c(oc2c1)[C@H]1OCC2(CCN(C4CCOCC4)CC2)C[C@@H]1C(C)(C)C3 257271870 NADHJTJROCSZTF-DHLKQENFSA-N 423.597 5.662 0 40 HKAB O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@@H](Cc2ccc3ccoc3c2)CC1 257271933 NAJUXJCTAGUXQE-HXUWFJFHSA-N 413.521 5.163 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 408699926 XHENGRZFYFFMCV-UHFFFAOYSA-N 409.276 5.493 0 40 HKAB Fc1ccccc1COc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Cl 409197303 AYLMJSSFVHISHK-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB CC(C)[C@@H]1C[C@@](CCNCc2ccc(Cl)cc2)(c2ccccc2)C[C@H](C(C)C)O1 524734955 MWHIXCNXUFWWBG-GPOLMCQNSA-N 414.033 6.617 0 40 HKAB CCCC[C@@H](CC)COC(=O)c1cc2c(C=O)sc(Br)c2s1 1776011069 WPAHRDRZCCJSAV-SNVBAGLBSA-N 403.363 5.911 0 40 HKAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 2037845928 HZVNTKDJECZKKA-QFIPXVFZSA-N 403.457 5.253 0 40 HKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(C)c1 672673 NYGRCIMKODQAPD-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1cc2ccccc2o1 722716 TWKISRPAFYHYNE-UHFFFAOYSA-N 404.429 5.572 0 40 HKAB Ic1cccc(-c2nc(-c3ccco3)c(-c3ccco3)[nH]2)c1 726959 UHPAZXATRDICRL-UHFFFAOYSA-N 402.191 5.201 0 40 HKAB Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3ccco3)cc(C(F)(F)F)c12 1088021 WFTMLXVFPODKAG-UHFFFAOYSA-N 406.360 5.527 0 40 HKAB COc1cc2c(C(=O)O)c(C)n(-c3cccc(Br)c3)c2c2ccccc12 1251801 AGKBIENKJDFRCS-UHFFFAOYSA-N 410.267 5.561 0 40 HKAB Cc1ccc(-c2nc(SCC(=O)NCC3CCCCC3)c3ccccc3n2)cc1 1367616 ZFOARIAVFKSXDK-UHFFFAOYSA-N 405.567 5.394 0 40 HKAB COc1ccc(Oc2coc3cc(OC(=O)/C=C/c4ccccc4)ccc3c2=O)cc1 1448058 LRHJPTNXIFJAJC-VGOFMYFVSA-N 414.413 5.213 0 40 HKAB biogenic On1c(-c2ccccc2)c(-c2c(-c3ccccc3)n(O)c3ccccc23)c2ccccc21 1635022 FEDWHEJCPSWIEH-UHFFFAOYSA-N 416.480 7.072 0 40 HKAB O=c1c(Oc2ccccc2Cl)coc2cc(OCc3ccc(Cl)cc3)ccc12 1775100 QHQTXMRQOIWMSQ-UHFFFAOYSA-N 413.256 6.471 0 40 HKAB C[C@@H](C(=O)c1ccccc1)n1cnc2scc(-c3ccc4c(c3)CCCC4)c2c1=O 1792228 TZKXAMYRKPQWHT-INIZCTEOSA-N 414.530 5.448 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2027713 IQNQZVKVGNHWNZ-UHFFFAOYSA-N 416.546 6.703 0 40 HKAB CCCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 2120993 IOIGBONXPCRXIM-UHFFFAOYSA-N 418.276 6.073 0 40 HKAB COc1cccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c1 2147345 REGFPOMGCNFGNL-UHFFFAOYSA-N 405.450 5.044 0 40 HKAB biogenic COc1ccccc1Cn1c(-c2ccc(C(C)(C)C)cc2)nc2nc3ccccc3nc21 2250834 HDFJPECBCRERLL-UHFFFAOYSA-N 422.532 6.001 0 40 HKAB CCCCCCNC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc12 2331894 HZQNVMOXALPHCU-UHFFFAOYSA-N 415.541 5.083 0 40 HKAB Cc1cccc(CSc2nnc(-c3cccc(C)c3)n2-c2ccc(Cl)cc2)c1 2443646 FDZUENXCRGMOJF-UHFFFAOYSA-N 405.954 6.497 0 40 HKAB CC(C)c1ccc(NC(=O)COC(=O)c2ccc(OCc3ccccc3)cc2)cc1 2649343 GQJLHLVXYXNJPB-UHFFFAOYSA-N 403.478 5.185 0 40 HKAB CSc1nc2ccc(NC(=O)c3cc(-c4ccco4)nc4ccccc34)cc2s1 2651954 WAVGTHAVOPPVPC-UHFFFAOYSA-N 417.515 6.079 0 40 HKAB CCOc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)cc1 2714316 DKNYDYZNLKLCAP-UHFFFAOYSA-N 420.516 6.538 0 40 HKAB CCCCCSc1nnc2c(n1)O[C@H](/C=C/c1cccs1)Nc1ccccc1-2 2742849 LQTNEDVDHNEAQW-IENJSVCTSA-N 410.568 5.726 0 40 HKAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(-c2nc3ccccc3s2)c1 3225006 PZDRKVJMWOOJGW-HNNXBMFYSA-N 406.532 5.103 0 40 HKAB O=S(=O)(c1ccccc1)c1nc(-c2ccccc2Cl)oc1NC1CCCCC1 3265557 QZKLNGREKIIKLE-UHFFFAOYSA-N 416.930 5.572 0 40 HKAB Cc1nnc(SCC(=O)Nc2cccc(Oc3ccccc3)c2)n1-c1ccccc1 3418487 XZQKQUIQBLAYBA-UHFFFAOYSA-N 416.506 5.099 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C 3852194 ORLULZQEXHRVDY-MRGYKMPESA-N 412.702 7.945 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)cc1C 4036391 OYZVFLUVUIBIBY-UHFFFAOYSA-N 409.536 5.084 0 40 HKAB COc1ccc(-c2c(C)c3cc(OCC(=O)c4ccccc4)ccc3oc2=O)cc1 4340814 LTSZQYYPSXCMGZ-UHFFFAOYSA-N 400.430 5.039 0 40 HKAB biogenic Cc1ccc(Nc2nc(CSc3nnc(Cc4ccccc4)n3C)cs2)cc1 4491236 VRYQYHUAUWQXDO-UHFFFAOYSA-N 407.568 5.207 0 40 HKAB Cc1ccc(C(=O)N(Cc2cc3cccc(C)c3nc2Cl)C2CCCCC2)cc1 4861342 SITCMKZXACZPSJ-UHFFFAOYSA-N 406.957 6.480 0 40 HKAB COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)c1 5255175 TYNYDXOZPYBZJE-LADGPHEKSA-N 404.897 5.899 0 40 HKAB O=c1nc(SCc2cccc3ccccc23)c2c(n1Cc1ccco1)CCCC2 5267895 VKQVUXSESZZRRK-UHFFFAOYSA-N 402.519 5.209 0 40 HKAB CC(C)(C)c1ccc(OC(=O)/C=C/c2cccc3ccccc23)c(Br)c1 5839437 NYAFITWGFMWMKH-SDNWHVSQSA-N 409.323 6.519 0 40 HKAB CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)CC2)cc1 5943940 RYIRDUZTLWDZNZ-HXUWFJFHSA-N 424.610 5.064 0 40 HKAB CCOC(=O)c1sc2nc(C)nc(S[C@H](C)C(=O)c3ccc(C)cc3)c2c1C 6787332 CVGWECZYGZZCOB-CYBMUJFWSA-N 414.552 5.157 0 40 HKAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(-c2ccc(F)cc2)o1 7957930 RLEAMGUAPMVRMC-UHFFFAOYSA-N 416.456 5.323 0 40 HKAB COc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)ccc1OCc1ccc(C)cc1 8550124 BJOJMXYVIMSSTQ-VLTVRWITSA-N 419.609 6.421 0 40 HKAB COc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)c(C)c2)c1 9272719 ISNYJETZPGINHC-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB Cc1c(C(=O)c2ccc(Cl)cc2)oc2cc(NC(=O)c3ccccc3F)ccc12 9659927 NWTCVJCEHPBBKN-UHFFFAOYSA-N 407.828 6.017 0 40 HKAB biogenic COc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(Cl)s3)sc2c1 9829673 ZBUVIQYYBJRWRX-UHFFFAOYSA-N 415.927 5.262 0 40 HKAB COc1ccc(C(C)=O)cc1CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 9883003 JUODNMXWJOFWKK-UHFFFAOYSA-N 422.531 5.155 0 40 HKAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cccc2ccccc12 10315033 WEQHBCYGHGPHKM-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB O=C(Nc1sccc1-c1nc2ccccc2s1)c1cc(Cl)sc1Cl 10694915 DQOCNCGGCNYCSN-UHFFFAOYSA-N 411.360 6.645 0 40 HKAB CCOC(=O)c1c(NC(=O)c2oc3ccccc3c2C)sc2c1CCCS2 12762397 MACOWDJYCJKHMU-UHFFFAOYSA-N 401.509 5.270 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1 12822734 CHPXGDNELWUTPZ-UHFFFAOYSA-N 401.897 5.813 0 40 HKAB CCc1cc2ccc(OC)cc2nc1SCC(=O)Nc1ccccc1C(F)(F)F 13503571 QHWPZKQLBRFIOI-UHFFFAOYSA-N 420.456 5.555 0 40 HKAB Brc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 13616578 CJWZLBHPGIHKDP-YLJYHZDGSA-N 411.324 5.753 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 13684489 BIGTXZSZQBONFX-IBGZPJMESA-N 416.521 5.319 0 40 HKAB COc1ccc(CCN2C(=O)C3=C(CCCC3)[C@@H]2c2c[nH]c3ccccc23)cc1OC 13945654 IAFIVLDEBOQHTM-RUZDIDTESA-N 416.521 5.182 0 40 HKAB Oc1nc(Oc2cccc(C(F)(F)F)c2)cc(Oc2cccc(C(F)(F)F)c2)n1 15922347 YMWAEUVISMTDQH-UHFFFAOYSA-N 416.277 5.804 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C(F)(F)F)c2)cc1 15931360 LTVBVXFCTASROC-FAJYDZGRSA-N 422.406 6.245 0 40 HKAB CCCN(C(=O)Cc1ccc(OC)c(OC)c1)c1nc(-c2ccc(C)cc2)cs1 17086991 FZOARTXILOLTAD-UHFFFAOYSA-N 410.539 5.121 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1Cl 17087598 DTLKANZEUZSWKG-UHFFFAOYSA-N 407.244 5.447 0 40 HKAB O=C(NC(=S)Nc1ccccc1S)c1ccc(-c2ccc(Cl)cc2Cl)o1 17093484 JEXDWQPRFDONBM-UHFFFAOYSA-N 423.346 5.669 0 40 HKAB CCN(CC)C(=O)Cn1cc(SCc2cccc(C(F)(F)F)c2)c2ccccc21 17287528 RDTALNCBEBJVKO-UHFFFAOYSA-N 420.500 5.821 0 40 HKAB O=C(Nc1ccccc1F)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 20509685 SBESHNRUMWOLKF-IBGZPJMESA-N 422.847 5.440 0 40 HKAB CC1(C)CC(=O)c2c(Nc3cc(Cl)cc(Cl)c3)nn(-c3ccc(F)cc3)c2C1 20796736 UHJCQQNDZAQRNX-UHFFFAOYSA-N 418.299 6.217 0 40 HKAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 28242436 CUMXMOMGJBVDJG-UHFFFAOYSA-N 418.956 5.604 0 40 HKAB C[C@@H](NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)c1ccc(F)cc1 29505546 QANRYCRBRMKICJ-OAHLLOKOSA-N 404.416 5.778 0 40 HKAB c1ccc(CN2COc3c(c4c(c5ccccc35)OCN(Cc3ccccc3)C4)C2)cc1 31658774 BDHIZHPIQURMAP-UHFFFAOYSA-N 422.528 5.544 0 40 HKAB CC(=O)c1ccc(NC(=O)[C@H](C)SCc2csc(-c3ccsc3)n2)cc1 32779140 AUUYFVVAHOHXCN-ZDUSSCGKSA-N 402.566 5.335 0 40 HKAB O=C(Cc1noc2ccccc12)Nc1cccc(-c2csc(-c3ccccc3)n2)c1 38680143 WBNFNZWDBLCSHP-UHFFFAOYSA-N 411.486 5.800 0 40 HKAB Cc1ccccc1[C@@H](NC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 38772605 RELZMWWHDZVULE-SANMLTNESA-N 422.553 7.097 0 40 HKAB CC(C)C(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cc2ccccc2)c1 40098870 QNPILTHJQTWHDF-UHFFFAOYSA-N 401.510 5.194 0 40 HKAB CSC(SC)=C1CCC[C@H]2C1=NN(C(=O)c1ccccc1)[C@H]2c1ccccc1 51329763 IISJHRJUPUHURQ-RXVVDRJESA-N 408.592 5.977 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(Br)cc2F)cc(C)c1Cl 64985005 XQLLQPRQTWDTPV-LLVKDONJSA-N 400.675 5.264 0 40 HKAB Cc1ccc(-c2cc3c4nnc(SCc5ccccc5Cl)n4ccn3n2)cc1C 67260639 SPBJSNQIEURRMG-UHFFFAOYSA-N 419.941 5.607 0 40 HKAB Cc1cccc(Cl)c1NC(=O)CSC1=NC2(CCCC2)N=C1c1ccccc1 71769095 WSKJAIUJKWFPOG-UHFFFAOYSA-N 411.958 5.492 0 40 HKAB Cc1csc(C2(NC(=O)c3sc4nc(C(C)(C)C)nc(C)c4c3C)CCC2)n1 72286074 FYQQOAHDHZYKCN-UHFFFAOYSA-N 414.600 5.180 0 40 HKAB C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)Cc1noc2ccccc12 79019191 GXYRRYPLSISWJE-GFCCVEGCSA-N 415.280 5.122 0 40 HKAB COc1ccc([C@@H](CNc2cc(C(F)(F)F)nc3ccccc23)N2CCCC2)cc1 89438854 RTZFSUDGWCCLIG-OAQYLSRUSA-N 415.459 5.511 0 40 HKAB COC(=O)CCN(C(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1C 95940958 MQHLFAHVHQAQCY-UHFFFAOYSA-N 415.580 5.074 0 40 HKAB C[C@H](NC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 100845910 JJHGYKITNHLJFA-ZGZNIIPPSA-N 420.435 5.441 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 219343429 KMEMPLUGNNFENW-OAQYLSRUSA-N 415.493 5.014 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)CSCc2ccccc2Cl)cc1C(C)C 223268292 OQIQQNCKWXWQJP-INIZCTEOSA-N 405.991 5.891 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224457449 DBSIPFDHDNMOSJ-QHCPKHFHSA-N 405.538 5.490 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 224486820 VSHKZCDPVMGVNP-CQSZACIVSA-N 415.946 5.696 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)NCC(C)C)cc1 224659797 NHKWIQSQKGDQAG-VWLOTQADSA-N 422.613 5.070 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1CSc1ccc(C)cc1 224669107 PFSHUTALKQHHRV-UHFFFAOYSA-N 409.526 5.755 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)/C(=C/c1ccco1)NC(=O)c1ccccc1 225151799 YZRWULRRBDSHPQ-JWGURIENSA-N 422.440 5.589 0 40 HKAB CCOc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)cc1 225363980 WFHHMJJDWVGSTI-UHFFFAOYSA-N 415.411 5.612 0 40 HKAB CCCCc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)cc1 225593721 VBJWBRLLMITSOI-QJOMJCCJSA-N 418.562 5.809 0 40 HKAB COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C(F)(F)F 225765022 IXMQNRCZFJFYAM-UHFFFAOYSA-N 411.851 6.208 0 40 HKAB Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3cccc4c(Cl)cccc34)oc12 226269486 ZLYZEAVDUGYKEF-UHFFFAOYSA-N 404.775 6.111 0 40 HKAB O=C(OC12CC3CC(CC(C3)C1)C2)c1cccc(-c2cc3ccccc3oc2=O)c1 226357940 ZERKDVRBIDXIGI-UHFFFAOYSA-N 400.474 5.586 0 40 HKAB CCCCCCOc1ccc(OS(=O)(=O)c2ccc3c4c(cccc24)CC3)cc1 226861684 VUZBZUVVHHGEIE-UHFFFAOYSA-N 410.535 5.665 0 40 HKAB CCCCc1ccc(C[C@]2(C)CCc3ccc(-c4cccc(C(=O)O)c4)cc3O2)cc1 257325602 WTRJSZRIRNUICT-NDEPHWFRSA-N 414.545 6.721 0 40 HKAB COc1ccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)cc1Cl 408676501 OKMIJFCRXZBMFO-UHFFFAOYSA-N 422.843 5.229 0 40 HKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)c1 408696797 BYLWTHSONCVDMP-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(Br)cc1)N2 409000386 SVLXFYGPUFHENC-BAGYTPMASA-N 420.306 5.618 0 40 HKAB Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1C 409062774 APNBDMJFZTWNQX-UHFFFAOYSA-N 412.533 5.461 0 40 HKAB Clc1ccc(Cn2cc(-c3nc4ccccc4s3)c3ccccc32)cc1Cl 409189001 MLTIWRMULLJHMN-UHFFFAOYSA-N 409.341 7.273 0 40 HKAB O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)Nc1ccc2ccccc2c1 409372146 YCYXDMACNWIPAL-UHFFFAOYSA-N 404.469 5.664 0 40 HKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3/C=C/c3ccccc3)CC2=O)c(C)c1 585655842 JCEBEGICCQNTTE-JXVRESAISA-N 407.517 5.802 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc(C3CCCCC3)n2-c2ccccc2)c1C 869877 QDKRIYHBOGWGOY-UHFFFAOYSA-N 420.582 5.663 0 40 HKAB CC(C)c1ccc(-c2csc3ncnc(Nc4ccc5c(c4)OCCO5)c23)cc1 944686 UKIIGBOKZMCEHC-UHFFFAOYSA-N 403.507 5.997 0 40 HKAB COc1ccc(C(=O)Nc2nnc(-c3c(C)cc(Cl)cc3Cl)s2)cc1OC 1053258 SKPYREDIBVKQIK-UHFFFAOYSA-N 424.309 5.090 0 40 HKAB O=S(=O)(c1ccccc1Cl)N(C1=NCCCS1)c1cccc2ccccc12 1327943 JLBQUERAJHUGLG-UHFFFAOYSA-N 416.955 5.181 0 40 HKAB CC(=O)CSc1nc2sc(C)c(-c3ccccc3)c2c(=O)n1-c1ccccc1 1927665 IOVZEADONVPHAA-UHFFFAOYSA-N 406.532 5.104 0 40 HKAB Cc1ccccc1CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 2229481 VLKBLUYAWRALRP-UHFFFAOYSA-N 419.619 6.527 0 40 HKAB CCCSc1nc(NCCc2ccccc2)c2c3c(sc2n1)COC(C)(C)C3 2396725 GBQQGDFHZRHBEY-UHFFFAOYSA-N 413.612 5.699 0 40 HKAB Cc1sc2ncnc(Sc3ccccc3C(=O)NCC3CCCCC3)c2c1C 2644040 CABWIYNBCYFBFS-UHFFFAOYSA-N 411.596 5.769 0 40 HKAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)NCCC(c1ccccc1)c1ccccc1 2774098 WQMRYBREDGMVQY-WYMLVPIESA-N 410.344 6.345 0 40 HKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3cc(Cl)cc(Cl)c3)s2)c(C)c1 2887665 YOLMZBDLOFUIOZ-UHFFFAOYSA-N 420.365 5.708 0 40 HKAB COc1ccc(CNc2nc(SCc3ccc(F)cc3)nc3ccccc23)cc1 2948816 MVPHWYKWWYKCAB-UHFFFAOYSA-N 405.498 5.682 0 40 HKAB C[C@H](OC(=O)CCc1nc2ccccc2s1)C(=O)Nc1cc(Cl)cc(Cl)c1 3253613 CDEBOCXHQHHRGX-NSHDSACASA-N 423.321 5.106 0 40 HKAB COc1cc(C(=O)OCC(=O)c2cc(C)c(C)cc2C)ccc1OCc1ccccc1 3362447 FKJWIOUMKAVJRZ-UHFFFAOYSA-N 418.489 5.239 0 40 HKAB Clc1ccc2nc(-c3ccc(Cl)c(Cl)c3)c(Cl)c(-c3ccccc3)c2c1 3382870 QFMNRJPSWODRMN-UHFFFAOYSA-N 419.138 8.182 0 40 HKAB Cc1ccc(-c2nnc(SCC(=O)N[C@H](C)C(C)C)nc2-c2ccc(C)cc2)cc1 3417710 BCWHQTPUXWKNPP-GOSISDBHSA-N 420.582 5.075 0 40 HKAB Cc1ccc(OCC(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1C 3655525 WPKFQPUFMDNZLN-UHFFFAOYSA-N 417.436 5.437 0 40 HKAB Cc1c(Cl)cccc1NC(=O)Cn1cc(C(=O)C2CCCCC2)c2ccccc21 3655933 MWEVNNUZAQFTCW-UHFFFAOYSA-N 408.929 6.005 0 40 HKAB aggregator CC(C)(C)n1nc2c(c1NC(=O)c1cc(Br)ccc1Cl)CSC2 4079168 DHWBRGKYIQOQOH-UHFFFAOYSA-N 414.756 5.053 0 40 HKAB Cc1ccccc1-n1nc2c(c1NC(=O)COc1ccc3ccccc3c1)CSC2 4087568 WMQHHCKROYBNJV-UHFFFAOYSA-N 415.518 5.098 0 40 HKAB Cc1cccc(CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2ccc(F)cc2)c1 4106619 QVGUXFRSEZSIEN-UHFFFAOYSA-N 415.493 5.607 0 40 HKAB CCc1ccccc1NC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCC2 4211552 KPUPRKDBGWTKLZ-UHFFFAOYSA-N 424.953 5.957 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 4275472 FWKUGAHHSRRFBL-UHFFFAOYSA-N 408.504 5.454 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1 4554945 XJWYNSNEZFTOGF-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB O=C(O)Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1 4576142 RVHSBYNDDLEVQW-UHFFFAOYSA-N 408.704 5.520 0 40 HKAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@@H](c1ccccc1)N2 4678274 JWMCNGZAHWTGLW-ZWQVRTGJSA-N 412.508 6.375 0 40 HKAB Cc1[nH]c2ccccc2c1C(c1ccc(Cl)cc1Cl)c1c(C)[nH]c2ccccc12 4838044 PUAPXWHHHWBMRA-UHFFFAOYSA-N 419.355 7.753 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)c3ccccc3F)C3CCCC3)cc2c1 4861296 DYHWUNIXLVKGMZ-UHFFFAOYSA-N 410.920 6.229 0 40 HKAB COc1cc2nc(/C=C/c3cc(OC)c(OC)c(OC)c3)sc2cc1SC 4930826 NFXBBTJXUDJPMM-VOTSOKGWSA-N 403.525 5.223 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)c1oc2ccccc2c1NC(=O)C1CCCC1 5106946 YUUDQZDMFNEHIG-UHFFFAOYSA-N 400.837 5.606 0 40 HKAB C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)Nc1ccccc1-c1ccccc1 5175082 WJDAKERNYBWACY-GOSISDBHSA-N 413.546 5.873 0 40 HKAB Clc1ccc([C@H](CCc2ccc(Br)cc2)Cn2ccnc2)c(Cl)c1 5386097 GLPUKJFKRFMDSY-OAHLLOKOSA-N 424.169 6.369 0 40 HKAB CC(=O)N(c1nc(CSc2nc3ccccc3[nH]2)cs1)c1ccc(C)cc1C 5628256 UJNHJFBZNZTKSN-UHFFFAOYSA-N 408.552 5.613 0 40 HKAB CCOC(=O)[C@H](CC)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 5700960 WPUQKPKJIVGHNO-FQEVSTJZSA-N 423.582 5.666 0 40 HKAB CCCC(=O)c1c(-c2ccc(OC)cc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 5859142 YKHZXVGWSQZRBQ-UHFFFAOYSA-N 412.533 6.403 0 40 HKAB COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)cc1 5866772 BFSIJSAXNZWIBY-HNNXBMFYSA-N 411.527 5.415 0 40 HKAB CCOc1ccc(S(=O)(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1 6361985 JFRQNOZWZUKPNU-UHFFFAOYSA-N 411.567 5.426 0 40 HKAB CCN(CC)CCN(C(=O)C1c2ccccc2Oc2ccccc21)C1CCCCC1 6382170 WCYFVRVRYZBVMZ-UHFFFAOYSA-N 406.570 5.427 0 40 HKAB Cc1cc(C)cc(OC(=O)c2ccc(COc3ccc(Br)cc3)cc2)c1 6477213 JAWIULBPCYAJMJ-UHFFFAOYSA-N 411.295 5.864 0 40 HKAB O=C(OCc1c(F)cccc1Cl)c1ccccc1-c1ncc(-c2ccccc2)o1 6590188 LWSYYECICJZHQU-UHFFFAOYSA-N 407.828 6.158 0 40 HKAB O=C(CSc1nc2ccc(Cl)cc2o1)N[C@@H](c1ccccc1)c1cccs1 7948957 QHULBCORSLGADG-IBGZPJMESA-N 414.939 5.541 0 40 HKAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 8041727 PXHDFWGPFYZDBU-VGOFRKELSA-N 420.484 5.113 0 40 HKAB C[C@H](NC(=O)CN1CCC(c2nc3ccccc3s2)CC1)c1ccccc1Cl 8201930 ZYSOZDLIQCQGIO-HNNXBMFYSA-N 413.974 5.007 0 40 HKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 8327842 IAKFNEOGXGWUMU-KRWDZBQOSA-N 406.555 5.099 0 40 HKAB CCSc1ccccc1C(=O)NCCSCc1ccc(Cl)cc1Cl 8479297 PDPDNSAIIGSBTA-UHFFFAOYSA-N 400.396 5.769 0 40 HKAB COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1ccc(C)cc1 8550139 VLEGEBOJTOPPAU-UHFFFAOYSA-N 400.522 5.396 0 40 HKAB COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2Cl)cc1 9272282 BTTODNPBGSKFPI-UHFFFAOYSA-N 418.880 5.037 0 40 HKAB Clc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(Cl)c(Cl)c4)c3c2c1 9675862 ZMUQJNXVAXVVOY-UHFFFAOYSA-N 424.718 7.201 0 40 HKAB COc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nc4ccccc4n32)cc1 10060177 VDBAKCBGFMTXRX-XMMPIXPASA-N 424.504 5.281 0 40 HKAB Cn1/c(=N\C(=O)C(c2ccccc2)c2ccccc2)sc2ccc3ccccc3c21 11847343 JNQJVPITGPPQOT-CYYJNZCTSA-N 408.526 5.652 0 40 HKAB COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1-c1ccccc1 12371775 HFVUPCLWXWEUON-UHFFFAOYSA-N 422.484 5.867 0 40 HKAB CCN(CC)Cc1nc(Sc2nc(-c3ccccc3)n[nH]2)c2c(C)c(C)sc2n1 12895598 CDNRJIDSVYNBQI-UHFFFAOYSA-N 424.599 5.086 0 40 HKAB CCOc1c(Br)cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)cc1OC 12906076 CVVBAIHNBCDZOM-LBPRGKRZSA-N 418.287 5.094 0 40 HKAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1c(Cl)cccc1Cl 12921539 KCMLXRXZRURZMN-LJQANCHMSA-N 423.390 5.703 0 40 HKAB O=C(c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21)N1CCCC1 13717179 QPOVLLVBDVRAJX-UHFFFAOYSA-N 415.518 5.757 0 40 HKAB FC(F)(F)c1cccc(NC(=S)Nc2ccc(I)cc2)c1 13786683 SCTFBAABBBWPDJ-UHFFFAOYSA-N 422.213 5.119 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1C 14081811 VPZMQDUFMSIFBS-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB O[C@H](CNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 16477468 JDHFXDOQVCVGMX-JOCHJYFZSA-N 402.321 5.396 0 40 HKAB COc1ccc(-c2cc(-c3ccc(OC)cc3OC)n(-c3ccccc3)n2)c(OC)c1 17090628 TWTYPYHHJLDKEL-UHFFFAOYSA-N 416.477 5.241 0 40 HKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cccc2ccccc12 17092273 OKOCKELREIQYLL-UHFFFAOYSA-N 420.516 6.258 0 40 HKAB CCCCOc1cccc(C(=O)Nc2cc(C)c(I)cc2C)c1 17093460 AINIMVUEMINFGG-UHFFFAOYSA-N 423.294 5.339 0 40 HKAB O=C(NCCSCc1ccco1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 18076066 SLROUZHLODMDOA-UHFFFAOYSA-N 422.428 5.149 0 40 HKAB O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccsc3)CC[C@H]21 19406536 FRXXBVSWBAYIIV-YPAWHYETSA-N 414.640 5.206 0 40 HKAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc(Cc2ccccc2)cn1 19688507 KKEDWOHHTIOTEQ-SANMLTNESA-N 409.533 5.450 0 40 HKAB Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)c3nc4ccc(F)cc4[nH]3)CC2)n1 19691410 QCTODLFBZMZTDV-UHFFFAOYSA-N 414.484 5.092 0 40 HKAB CCOc1ccc(CN2CCC[C@@H]2c2cc(Cc3ccccc3)cc(C)n2)cc1CO 19691909 CMLGGXXZOPGTNM-AREMUKBSSA-N 416.565 5.209 0 40 HKAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc(C(=O)NC2CC2)cc1 22193059 JZTQNMWOMYSNOF-UHFFFAOYSA-N 416.546 5.040 0 40 HKAB CCOc1ccccc1NC(=O)c1csc(Nc2ccc(OC(F)F)cc2)n1 23136893 QYTQMIDYKCHEEI-UHFFFAOYSA-N 405.426 5.139 0 40 HKAB Cc1cnc2c(S(=O)(=O)N3CCCC[C@H]3c3nc4ccccc4s3)cccc2c1 29349525 VUZCESXZWUQFDK-SFHVURJKSA-N 423.563 5.069 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2NCc2ccc(Cl)cc2)cc1 33267927 HHRWNELMLUZHET-UHFFFAOYSA-N 423.925 5.037 0 40 HKAB Cc1ccc(Nc2c(-c3cc(Br)ccc3O)nc3cnccn23)c(C)c1 35616431 OLFBBAWDPUCTJM-UHFFFAOYSA-N 409.287 5.225 0 40 HKAB O=C1N/C(=N\c2cc(C(F)(F)F)ccc2Cl)S/C1=C/c1ccccc1Cl 35647374 IUZLHPHORCRVEA-VGOFMYFVSA-N 417.239 5.904 0 40 HKAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccc2ccccc2c1 38699985 OXKXLLMYRVDPEP-UHFFFAOYSA-N 406.485 5.685 0 40 HKAB O=C(Nc1cccc(NC(=O)c2ccccc2Oc2ccccc2)c1)c1cccnc1 40074392 HSTUGQLHPJNMBA-UHFFFAOYSA-N 409.445 5.379 0 40 HKAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(N[C@@H](C)c3ccccc3)cc2)cc1C 40158548 XSCIFMNHKRKMBP-FQEVSTJZSA-N 400.522 6.078 0 40 HKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 44900144 XSSOTKMEKKVMCE-OAQYLSRUSA-N 422.912 5.066 0 40 HKAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1ccccc1CN1CCSCC1 58155811 CJOKNZQEXSPXGM-UHFFFAOYSA-N 406.551 5.067 0 40 HKAB CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1 60512759 WMUQXAIMVHPVPW-UHFFFAOYSA-N 418.562 5.713 0 40 HKAB CCCCN(C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)[C@H](CC)c1ccccc1 72285133 RVHQVGKKCPQZGA-JWQCQUIFSA-N 404.554 5.731 0 40 HKAB CCc1c(C)noc1-c1snnc1C1CCN(CC[C@@H](C)c2ccc(C)o2)CC1 72392669 CLMXOLKKXXTRIJ-CQSZACIVSA-N 414.575 5.339 0 40 HKAB CCCCCOc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCC)CC3)cc2)cc1 100003865 WJEFXOAPGDOQNG-SZPZYZBQSA-N 408.582 7.549 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(C)cc4)C3=C(O)C2)cc1 100426245 JDYBZCXXQZNQCG-HRFSGMKKSA-N 410.517 6.633 0 40 HKAB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@H]3[C@@H]4C[C@H]5OC(=O)[C@H]3[C@H]5C4)cc2)c1 101183499 DHMDNSWXOBKFEQ-OHCYRYSGSA-N 405.494 5.047 0 40 HKAB COc1cccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(F)cc4)CC(O)=C32)c1 103873947 NEQVDAFUFPKRRR-DWXRJYCRSA-N 414.480 6.463 0 40 HKAB C[C@]12C[C@H](F)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c3ccccc3)CC[C@@H]12 118922933 HNAAFHHBQZHFPH-BJJBORLASA-N 412.545 5.772 0 40 HKAB COc1cccc(CC[C@H]2CCCCN2C(=O)Cc2c(C)[nH]c3c(C)cc(C)cc23)c1 141534582 WNRZPXPIHFXWLT-JOCHJYFZSA-N 418.581 5.658 0 40 HKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)cc2)S1 222605090 IRJGNJVUWPYAHQ-XGRCMKMKSA-N 403.576 5.822 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)CCCSc2ccc(Cl)cc2)cc1 222693909 AFPADBLQBSDDOO-OAQYLSRUSA-N 405.991 6.125 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccccc1Sc1ccccc1 223276033 WPOILCXEAWNIRS-UHFFFAOYSA-N 417.958 6.502 0 40 HKAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccccc1C(C)(C)C 224177064 WJHZXIQXKOTDKZ-UHFFFAOYSA-N 421.512 5.641 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2O1 224242761 WTSIMGVPOSSTHG-QGZVFWFLSA-N 408.325 5.571 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1cccc2ccccc12 224299259 CBRCJXSRFFDEJR-LJQANCHMSA-N 411.501 5.918 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1CSc1ccc(Cl)cc1 224348924 ZWGUAANTANKTBE-UHFFFAOYSA-N 419.880 6.171 0 40 HKAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1CSc1ccc(C)cc1 224667002 YAXVOGAIBHBCDC-UHFFFAOYSA-N 421.562 5.625 0 40 HKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 225100018 LKHGDULUKXQGHP-RUZDIDTESA-N 416.565 5.106 0 40 HKAB CC(C)Oc1ccc(CCCNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225569730 VFNMGZVZHLIATH-UHFFFAOYSA-N 412.599 5.714 0 40 HKAB Fc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1Cl 225856693 BXTVSKCKUTTYTI-UHFFFAOYSA-N 416.871 6.254 0 40 HKAB CCOCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C 225869049 JYKXOVIRLJWNQX-UHFFFAOYSA-N 416.949 5.299 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c2cccnc12 225872304 LYPJVEADTIMMHD-UHFFFAOYSA-N 404.510 5.101 0 40 HKAB O=C(CCc1ccccc1)N1CCC[C@@H]2[C@H]1CCCCN2Cc1ccc(Cl)cc1 257206924 BFMPNEIKSPEAAD-DNQXCXABSA-N 410.989 5.318 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(Cc4ccco4)c3C)N21 260756067 DCJAQUZZJNRZNH-WTNAPCKOSA-N 406.555 5.121 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccccc3Sc3ccccc3)N21 260775108 PHYKAUPOQSAPMW-VSDWSMLSSA-N 417.603 6.212 0 40 HKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Cc2ccncc2)cc1 408629369 ZOBPRIYFAMJFGP-UHFFFAOYSA-N 400.522 5.738 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)c1 408694506 JTIWHQXYCMXMTO-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccccc2Cl)C1=O 408801371 AHOCJSIWSYVHOA-CABAHIPWSA-N 411.978 6.394 0 40 HKAB C[C@H](Sc1ccccc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 408922351 ZPCHDAJOJFFTJD-ZDUSSCGKSA-N 400.396 5.524 0 40 HKAB c1ccc(Cc2nnc(SCc3ccc4ccccc4c3)n2-c2ccccc2)cc1 409097530 GXCXUKJJWZALAL-UHFFFAOYSA-N 407.542 6.304 0 40 HKAB CC(C)(C)c1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 409183955 VFPXTTIQLRPZHP-QHCPKHFHSA-N 406.909 6.419 0 40 HKAB Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccnc1 409192108 AEFPFPZXHMAWJV-YBFXNURJSA-N 409.898 5.383 0 40 HKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCc3ccccc3Cl)n2)cc1 409385426 LOYGKFRJZBISHR-UHFFFAOYSA-N 410.848 6.117 0 40 HKAB O=C(NCc1cccc2cc(C(=O)O)ccc12)OCC1c2ccccc2-c2ccccc21 1535646058 PWFBFQPVURVVCG-UHFFFAOYSA-N 423.468 5.577 0 40 HKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccco2)cc1 812992 LMPZAHCIJGYSLY-UHFFFAOYSA-N 418.522 5.183 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)o2)c1 873781 KJQADADFRZPNJO-UHFFFAOYSA-N 401.491 5.443 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 902106 IRVDRZVDETYVTM-UHFFFAOYSA-N 407.417 5.103 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3C(F)(F)F)o2)cc1 936091 XXSGTQXJOYEAGR-UHFFFAOYSA-N 403.356 5.394 0 40 HKAB CC(C)c1ccc(-c2noc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)cc1 1360124 IFBNLNWROMGFLF-QFIPXVFZSA-N 403.526 5.199 0 40 HKAB CCc1ccccc1OP(=O)(Oc1ccccc1CC)Oc1ccccc1CC 1641219 DTOOHWOPSUKNJL-UHFFFAOYSA-N 410.450 7.019 0 40 HKAB CC(C)/C=C(/CC(C)C)[C@H](CCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 1713120 LQBSZMAAJNMYFL-DEZPSGRBSA-N 406.570 6.289 0 40 HKAB CCCOc1ccc(C(=O)COc2ccc(-c3ccccc3)cc2)c(OCCC)c1 1775079 RKOWXGQDYCMWBF-UHFFFAOYSA-N 404.506 6.193 0 40 HKAB Cc1ccc(OCCn2c(SCc3cccc4ccccc34)nc3ccccc32)cc1 2059018 WJPYCUGESMLGQX-UHFFFAOYSA-N 424.569 6.869 0 40 HKAB O=c1oc2ccc(Cl)cc2cc1-c1nnc(Nc2cccc3ccccc23)s1 2063625 MSGNVDOLBZZSKM-UHFFFAOYSA-N 405.866 5.862 0 40 HKAB COc1ccc2c(c1)-c1c(sn(-c3ccc(Cl)cc3C)c1=S)C(C)(C)N2 2183592 PSOSXZLDNLXXLG-UHFFFAOYSA-N 402.972 6.566 0 40 HKAB CC[C@H](COC(=O)Nc1ccc(C)cc1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1 2197002 VYWITLFLFCGMMF-UYAOXDASSA-N 418.946 5.250 0 40 HKAB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(C)c(C)c4)c23)cc1 2220626 QEWUMHFUAUUECB-UHFFFAOYSA-N 419.575 6.014 0 40 HKAB COc1ccccc1-c1coc2cc(OCc3c(F)cccc3Cl)ccc2c1=O 2257258 RXLJPYSVISKEOV-UHFFFAOYSA-N 410.828 5.840 0 40 HKAB biogenic Clc1ccccc1OCc1nc2c3c(ncn2n1)-c1ccccc1CC31CCCC1 2403903 SBCHPEYYLPKMMG-UHFFFAOYSA-N 416.912 5.392 0 40 HKAB CC(C)OC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCC2 2780014 CDNYLVMNMIBVLV-UHFFFAOYSA-N 412.338 5.751 0 40 HKAB Clc1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccccc32)cc1 4129999 BSXVEVZUBUZGIB-UHFFFAOYSA-N 410.702 5.536 0 40 HKAB COc1ccc(C2=Nc3ccccc3S[C@H](c3ccc(Cl)cc3)C2)cc1OC 4184520 WPEGJGKWKSSFRA-QHCPKHFHSA-N 409.938 6.715 0 40 HKAB Cc1cccc(CCN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccc(C)c2)c1 4230968 GVGXPBXWDYTDJA-UHFFFAOYSA-N 424.544 5.338 0 40 HKAB Cc1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2cccc(C)c2)c1 4297575 LXFYYGCYRMPVCZ-UHFFFAOYSA-N 405.954 6.497 0 40 HKAB C1=C(c2ccccc2)N2N=C(c3ccccc3)O[C@@]23CCCC[C@@H]3[C@@H]1c1ccccc1 4422370 ZJXHXEHIKDXOSE-BXTSTYNKSA-N 406.529 6.405 0 40 HKAB O=C(Oc1cc2ccccc2cc1OC(=O)N1CCCCCC1)N1CCCCCC1 4666978 FTNDGZDZFITOHL-UHFFFAOYSA-N 410.514 5.589 0 40 HKAB CC1=C(CC[C@@H](C)N(C)Cc2ccc(O[C@@H](C)CN(C)C)cc2)C(C)(C)CCC1 4683514 AHMKXJCUCWLAPV-YADHBBJMSA-N 400.651 6.143 0 40 HKAB CC(C)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)cc1 4699759 FJBHXWRXPLMWGT-UHFFFAOYSA-N 406.938 6.992 0 40 HKAB CCCCc1nc2cc(NC(=O)C(C)(C)C)c(C)nc2n1Cc1ccc(OC)cc1 4850384 FUWRUBAGSUOTBS-UHFFFAOYSA-N 408.546 5.124 0 40 HKAB Clc1ccc(C2=NN(c3ccc(Br)cc3)[C@H](c3ccccc3)C2)cc1 5008107 NPELUEONMDTUCR-NRFANRHFSA-N 411.730 6.458 0 40 HKAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c2COC(C)(C)C3)cc1 5205179 FOWUBTQWUJJTCP-UHFFFAOYSA-N 419.550 5.034 0 40 HKAB COc1cccc(-c2coc3cc4oc(=O)c(-c5ccc(Cl)cc5)cc4cc23)c1 5235635 CFGWYTNCRPWLDI-UHFFFAOYSA-N 402.833 6.535 0 40 HKAB Cc1ccc(CSc2nnc(COc3ccc(C)cc3)n2Cc2ccco2)cc1 5477835 CTGZTYHYLOLEEQ-UHFFFAOYSA-N 405.523 5.408 0 40 HKAB Cc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)c1 5615094 HHDHONWBGJGVRU-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB CCOC(=O)c1cc2c(nc1C)-c1cc(Cl)ccc1O[C@H]2OCc1ccccc1 5766751 HPPHAEGUTUEYRC-HSZRJFAPSA-N 409.869 5.495 0 40 HKAB CCC(=O)Nc1ccc(C2=NN=C(Nc3ccc(Cl)cc3Cl)SC2)cc1 5976733 ZSPYWTXQJUPZOR-UHFFFAOYSA-N 407.326 5.261 0 40 HKAB O=C(Nc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl 6147229 PCDQSZXZGKGTEM-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C)c3ccccc3n2)cc1OC 6317866 KLFVZERUFXJIJY-UHFFFAOYSA-N 412.489 5.788 0 40 HKAB CCc1cccc(NC(=O)CSC2=NC3(CCCCCC3)Nc3ccccc32)c1 6902004 TVMNKMWQZZDVFH-UHFFFAOYSA-N 407.583 5.844 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4cccc(C)c4)cc3)nc2c1 8198156 BHWCWOMYSYBJGU-SFHVURJKSA-N 414.505 6.334 0 40 HKAB CC[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 8456860 WTPQJOKLMUGDKP-KRWDZBQOSA-N 417.328 5.369 0 40 HKAB Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@H]2CCCO2)c1C 8915786 JLSWXTLKZFCYIW-LJQANCHMSA-N 422.352 5.197 0 40 HKAB C[C@@H]1CCCN(Cc2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)C1 9112179 BLABIDFMCXDWOH-GOSISDBHSA-N 405.567 5.146 0 40 HKAB CCCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccc(Cl)cc1 9139577 FBGZCGFDUULZAF-UHFFFAOYSA-N 414.962 5.302 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccccc2Cl)s1 11617417 KNINMCWZFWMJOP-UHFFFAOYSA-N 414.701 5.183 0 40 HKAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(Br)cc3Cl)c12 12801398 BUVLDMLORRLFEN-UHFFFAOYSA-N 406.667 5.077 0 40 HKAB Cc1cc(C)c(NC(=O)c2cc(C3CC3)nc3c2nc2n3CCCCC2)c(Cl)c1 12865006 CMQCUFPZVVLZBC-UHFFFAOYSA-N 408.933 5.558 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)N1CCCCC1 13717053 OZXQGSDLVIMMMG-UHFFFAOYSA-N 412.533 5.473 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)cc1 14609427 VCQJTAUHTKQHBE-UHFFFAOYSA-N 402.885 5.402 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc2ccc(Cl)cc2s1 16194597 USIJHBCFVMGKSQ-GORDUTHDSA-N 413.713 5.917 0 40 HKAB CCc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 16741664 IYAYYDPNAUIQSB-DEOSSOPVSA-N 424.500 5.425 0 40 HKAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1cccc2c(Cl)cccc12 17088350 VVFUZHYXHMPTIU-UHFFFAOYSA-N 409.725 5.927 0 40 HKAB CCCCc1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 17089101 FGOVJAHYPLXDEM-UHFFFAOYSA-N 412.327 6.206 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(CN2CCOCC2)cc1 17093341 JETPEWBTKVHWKV-ZRDIBKRKSA-N 422.912 5.084 0 40 HKAB Cc1ccc(Cn2nc(C)c(CN[C@@H](C)c3ccccc3Br)c2C)cc1 17312654 KAORORFFCCHPNJ-INIZCTEOSA-N 412.375 5.470 0 40 HKAB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1ccc(C(C)(C)C)cc1 17983375 AKZUGRZPPUUUFC-ZDUSSCGKSA-N 416.572 5.160 0 40 HKAB O=C(c1ccccc1Cl)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1 19347453 HNFOCJKCOGTQHR-UHFFFAOYSA-N 418.928 5.089 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@@]4(C)CC[C@@H]32)C1(C)C 19799856 QWEPZKQWNVXKDO-SHOZBNPJSA-N 402.575 5.449 0 40 HKAB CC(=O)Nc1ccc(N2C(=O)CS[C@H]2c2cccc(Oc3ccccc3)c2)cc1 19926872 GBUJDHTVORXSID-QHCPKHFHSA-N 404.491 5.216 0 40 HKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccccc1N1CCCCC1 21595958 LODQEXAGBCTZFU-UHFFFAOYSA-N 417.347 5.236 0 40 HKAB COc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1cccs1 22107553 JVFHQLWRCDQLAH-UHFFFAOYSA-N 405.922 5.461 0 40 HKAB CCCCCCOc1ccc(/C=C2/N=C(c3ccccc3OCC)OC2=O)cc1OC 23805887 KHBBMDLFYISKIO-CAPFRKAQSA-N 423.509 5.398 0 40 HKAB COc1ccc(NC(C)=O)cc1NC(=O)C1(c2ccc(C(C)(C)C)cc2)CCCC1 24979559 OPHCYMXWHQAJBZ-UHFFFAOYSA-N 408.542 5.402 0 40 HKAB CC(C)C(=O)Nc1cccc(CNCc2ccc(-c3nc4ccccc4s3)o2)c1 25061362 GRIZIAZKEZTICA-UHFFFAOYSA-N 405.523 5.441 0 40 HKAB COc1ccc(CN(C)C(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1OC 30855009 QAWDMKWGQWJLDA-UHFFFAOYSA-N 421.562 5.577 0 40 HKAB Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc(C)c(F)c3)n2)cc1 32578830 IMQYAUZFEXNERR-UHFFFAOYSA-N 417.440 5.324 0 40 HKAB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S 35648743 VHLAUQSHFAWTLK-AAWPKVBNSA-N 424.330 5.021 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(CN2CCCCCC2)cc1 38850693 PSAQYWLKLIAQKT-UHFFFAOYSA-N 414.549 5.894 0 40 HKAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H](C)c1ccc(F)cc1 40119046 ICAKAPSJSAKTSR-ZDUSSCGKSA-N 416.905 5.592 0 40 HKAB CCOc1ccc(-c2csc3c(=O)n(Cc4cccc(F)c4)cnc23)cc1OCC 44167063 PUOQOQIMCAFIBW-UHFFFAOYSA-N 424.497 5.110 0 40 HKAB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 44933011 VODWLZTYGVZDKE-JOCHJYFZSA-N 417.380 5.399 0 40 HKAB Cc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(CCCc2ccccc2)C4)cc1 57327464 CDZABLLXCCAVDR-UHFFFAOYSA-N 411.501 5.553 0 40 HKAB Cc1cccc(C(=O)Nc2ccc3c4c(cccc24)CC3)c1I 58343759 KJPBICKOACMNRH-UHFFFAOYSA-N 413.258 5.104 0 40 HKAB Cc1onc(-c2ccc(Cl)cc2)c1C(=O)Nc1cccc(C(=O)OCC(C)C)c1 80343715 QLQOZELDLXTTGC-UHFFFAOYSA-N 412.873 5.369 0 40 HKAB CC(C)Cn1cc(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)c(C(F)F)n1 89856705 MFUPRVXIJOLQBP-UHFFFAOYSA-N 421.451 5.339 0 40 HKAB CCCCN(CC)C(=O)c1cc2c(c3ccccc3n2C(C)C)n1-c1ncccn1 96062686 ZDTRGSVPZRJSPF-UHFFFAOYSA-N 403.530 5.218 0 40 HKAB Cc1cc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc(C)c1Br 96234477 HKXIJGFTTFRGER-UHFFFAOYSA-N 417.130 5.068 0 40 HKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3CC=CCC3)CC2)on1 100743822 FWSKQZUFRDNFFX-ZCNNSNEGSA-N 422.573 5.310 0 40 HKAB C[C@@H]1CC2=Nc3ccccc3N(C(=O)c3ccc(F)cc3)[C@@H](c3ccco3)C2=C(O)C1 102602391 ZKDVTHHTAVANNE-MYYSRTQBSA-N 416.452 6.135 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC(c1ccccc1)c1ccccc1 222926316 BGWJSJLVZOGFFR-XMMPIXPASA-N 401.550 6.047 0 40 HKAB O=C(NCCOc1ccc(Cl)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 223422655 GVXNFCYKDCAUIY-LTGZKZEYSA-N 412.316 5.729 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COCc1ccccc1 224358074 ISVRURCVQBKOIJ-KRWDZBQOSA-N 409.913 5.556 0 40 HKAB CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1O 224875922 OJEFTQCRGTWELC-PMACEKPBSA-N 412.946 5.000 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 224894283 DUTAODMBFGQJGI-UHFFFAOYSA-N 408.379 6.280 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NCCSCc2cccc(Cl)c2)c(C)c1 225300307 FVMAJWNAINKZLS-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB O=C(CCc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1Cl 225303247 QVNDNDHRUWXAAT-UHFFFAOYSA-N 402.774 5.629 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)N1CCC(Oc2cccc3cccnc23)CC1 225706352 CGXMSFWLBUMFCW-UHFFFAOYSA-N 415.415 5.329 0 40 HKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c2ccccc12 225752927 VVVWRWCPHZPQAP-UHFFFAOYSA-N 414.332 6.606 0 40 HKAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@]12C 253497639 JNLBJTOWMWKEJV-UMUYNFSFSA-N 418.618 5.873 0 40 HKAB CCOc1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408620691 IRUFEXBLEIOQEL-FMIVXFBMSA-N 402.277 6.304 0 40 HKAB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cccs1 408627586 MAGOALXFDBSFAJ-UHFFFAOYSA-N 405.331 6.584 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc2)cc1 408639714 HEUKATQIPDWMRJ-QGZVFWFLSA-N 420.896 5.432 0 40 HKAB COc1ccccc1NC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccc(Cl)cc2)n1 408696718 BLEHCUASDFAUSN-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB CCOc1cc(C)c(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1C(C)C 409075717 ZMQLDLJISJKZCI-NDENLUEZSA-N 415.942 6.411 0 40 HKAB Cc1cccc(NCc2cc(Br)ccc2OCc2ccccc2F)c1C 409114120 CLTNBFGZFNTBLP-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB CC(C)Cn1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c2ccccc21 409132093 OOJNCNCFIDIFBF-HMAPJEAMSA-N 404.535 5.576 0 40 HKAB Cc1ccc(COc2ccc(CNc3ccc(Cl)cc3)cc2Br)cc1 409178948 LACGAAXRQUCSHT-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB CCCCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CCC)C3=O)o2)cc1 409350172 UDTICBJXIMBVCJ-XMHGGMMESA-N 413.495 5.350 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21)c1ccccc1 409372931 SUMGYRKREUKZNT-QCFAMHMHSA-N 409.407 5.101 0 40 HKAB COc1ccc(C[C@@H](C)C(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1 530458493 QAXAMCLTLKRNRC-UZUQRXQVSA-N 421.516 5.157 0 40 HKAB O=C(O)c1cnc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc1CCC1CCCCC1 585266634 JMPVRSWJICEDJD-OAQYLSRUSA-N 413.949 5.683 0 40 HKAB CCN1N=C(c2ccc(C)cc2)[C@@H]2C=C[C@@H](O)c3c(C(=O)c4ccc(C)cc4)ccc1c32 670417861 XFZPBTQFWLBZNL-ZJSXRUAMSA-N 422.528 5.465 0 40 HKAB Cc1cccc(-c2nc3cc(NC(=O)c4ccc(OCC(C)C)cc4)ccc3o2)c1 677315 XPRIDENXNBJPDC-UHFFFAOYSA-N 400.478 6.090 0 40 HKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)c(C(C)C)c1 787822 ZFJDIERUUVCKKG-UHFFFAOYSA-N 422.679 5.644 0 40 HKAB Cc1ccc([C@H](CC(=O)NCCc2ccccc2)c2ccc(OC(C)C)cc2)cc1 1321470 AUNQBWIYTIBORR-SANMLTNESA-N 401.550 5.663 0 40 HKAB biogenic Cc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1 1380127 SLDIGEZSSQLEAU-QHCPKHFHSA-N 420.484 5.174 0 40 HKAB COc1ccc(SCc2c(CSc3ccc(C)cc3)nn(C)c2Cl)cc1 1388907 UTCMMLKEMLTPNW-UHFFFAOYSA-N 404.988 5.975 0 40 HKAB CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1c(C)cc(C)cc1C 2177014 JUXPMJZUKXQIHW-GCBFDWCNSA-N 409.573 6.874 0 40 HKAB Cc1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1NC(=O)c1ccccc1 2314388 VPTSRMHDARECCY-UHFFFAOYSA-N 420.921 6.368 0 40 HKAB Cc1ccc(C(=O)[C@H](Sc2nnc(-c3cccs3)o2)c2ccc(C)cc2)cc1 2627183 UJTUKLAOICMEMI-HXUWFJFHSA-N 406.532 6.131 0 40 HKAB Fc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 2714012 MEZXADSBALFLMZ-UHFFFAOYSA-N 412.443 5.978 0 40 HKAB COCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 2714215 MLARQIUYVVJKLG-UHFFFAOYSA-N 406.917 5.498 0 40 HKAB Cc1cc(Cl)ccc1OCCCC(=O)N(Cc1ccccc1)Cc1ccccc1 2741878 RVJUZJFPYXTWTQ-UHFFFAOYSA-N 407.941 6.036 0 40 HKAB COc1cc(NC(=O)CCN2c3ccccc3Sc3ccccc32)cc(OC)c1 3225680 HGFRIKDKTJGCFO-UHFFFAOYSA-N 406.507 5.335 0 40 HKAB Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)cc1 3282271 DXHJZXPQXGLGSS-UHFFFAOYSA-N 411.404 5.059 0 40 HKAB COc1cccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1cccs1 4174188 FCXTZKKSJPFTBA-KNEUKCCGSA-N 411.611 6.030 0 40 HKAB CCN(CC)c1ccc(NC(=O)CSc2nc3cc(Cl)ccc3s2)cc1C 4615129 MOBOLXLIRUFLGE-UHFFFAOYSA-N 420.003 5.835 0 40 HKAB Cc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccccc12)Cc1ccco1 4920531 KDEYKDHGVFDJEO-UHFFFAOYSA-N 403.551 5.819 0 40 HKAB CCOc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(F)cc23)cc1 4970345 KNGGYAHQWPOYTQ-UHFFFAOYSA-N 411.480 6.395 0 40 HKAB Cc1ccc([C@@]2(CCN[C@@H](C)c3ccc(Cl)cc3)CCO[C@H](C(C)C)C2)cc1 5024826 VJRNJFGPKMJBSQ-OPXMRZJTSA-N 400.006 6.462 0 40 HKAB Cc1ccc(C(=O)N[C@@H](Nc2ccccc2C(F)(F)F)C(=O)c2ccccc2)cc1 5128805 ZQHZYBTXCGRDII-OAQYLSRUSA-N 412.411 5.065 0 40 HKAB COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccc(Cl)cc2)cc1O 5176828 VFHFRXARQUBRHD-UHFFFAOYSA-N 406.869 5.690 0 40 HKAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1 5519183 RIUHJXQKKVPGHR-UHFFFAOYSA-N 420.512 6.496 0 40 HKAB CCCCCN(CCCCC)C[C@](C)(O)CNc1cc(OC)cc2cccnc12 5837622 RKPZRAIHEWIFKA-XMMPIXPASA-N 401.595 5.089 0 40 HKAB COc1ccc(C(=O)n2ccc(-c3ccccc3OCc3ccc(Cl)cc3)n2)cc1 6181844 PLTPMZNHUAUZBF-UHFFFAOYSA-N 418.880 5.480 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H](C)CCc1ccccc1 6254067 QOCKDDFQWFRULD-CYBMUJFWSA-N 403.309 5.708 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)c(OC)c2)N3)C1 6396176 KHPSDLSAAUFYLD-VLIAUNLRSA-N 414.571 5.735 0 40 HKAB C[C@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H]1CCCc2ccccc21 7159276 OQDGBKNBONCJBG-UQBPGWFLSA-N 413.517 5.022 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2)c2ccccc2)c1C 7277667 RZGPJRMZIFWLMM-XMMPIXPASA-N 412.558 6.819 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)cc2)cc1 7881812 JXYPXDFZSHSEIQ-IBGZPJMESA-N 400.478 5.087 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OCCOc2ccccc2)cc1 8162318 WOJLDZUTFLKRJJ-KRWDZBQOSA-N 411.885 5.204 0 40 HKAB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)cc3)S2)cc1 8372003 UWXFWTCWXJFORS-JCMHNJIXSA-N 416.571 6.346 0 40 HKAB O=C1c2cccc(Cl)c2[C@](c2ccccc2)(c2cccs2)c2cccc(Cl)c21 8453465 GRNGSCGJTMMTSK-DEOSSOPVSA-N 421.348 6.982 0 40 HKAB Cn1c(SCc2cc3ccccc3nc2Cl)nnc1-c1ccc(Cl)cc1 8572400 GXLIDFPPCSRDRI-UHFFFAOYSA-N 401.322 5.629 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CN1c1ccccc1F 8753200 LULCVWPOCGYWAS-KRWDZBQOSA-N 419.887 5.398 0 40 HKAB CCOc1ccccc1Nc1nnc(SCc2nnc(-c3cccs3)o2)s1 9665747 DVPTZWQHTGMWJG-UHFFFAOYSA-N 417.541 5.084 0 40 HKAB O=C(NC(=S)N(c1ccccc1)c1ccc2ccccc2c1)c1cc2ccccc2o1 9721069 ZDUPTWCDRATMKX-UHFFFAOYSA-N 422.509 6.439 0 40 HKAB CCCn1c(C)cc(-c2csc(NC(=O)c3cncc(Br)c3)n2)c1C 10892666 KWCHHZPBVYCSRW-UHFFFAOYSA-N 419.348 5.048 0 40 HKAB Cc1cc(-c2nn3c(-c4cccc(Br)c4)nnc3s2)c2ccccc2n1 11279684 HJUSYZLQNZQYFD-UHFFFAOYSA-N 422.311 5.139 0 40 HKAB Cc1nc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)n(CC(C)C)c1C 11305655 QRMDYLQZPYNMSE-OAHLLOKOSA-N 403.617 5.166 0 40 HKAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)C(c1ccccc1)c1ccccc1 12063232 KKISUXGTVLKBFX-UHFFFAOYSA-N 413.329 6.374 0 40 HKAB Cc1ccc(Nc2nnc(SCC(=O)c3ccc(OC(F)F)cc3)s2)c(C)c1 12565495 FZSYSKNJIIHAQB-UHFFFAOYSA-N 421.494 5.475 0 40 HKAB COc1ccc(-c2nnc(SCc3ccccc3Oc3ccccc3)o2)c(OC)c1 12695208 FFJDXZLBSDWFPK-UHFFFAOYSA-N 420.490 5.838 0 40 HKAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cccc(Cl)c1Cl 12751215 HGZRBSVCSKKUCH-UHFFFAOYSA-N 409.357 5.045 0 40 HKAB CCOc1ccccc1N(C(=O)[C@H]1Cc2ccccc2O1)c1nc2ccccc2s1 12766710 WECZDRYXAVOVSM-OAQYLSRUSA-N 416.502 5.363 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc2ncsc2c1)c1ccccc1 12785023 QVQXNAXSVWWMIA-OAHLLOKOSA-N 401.491 5.040 0 40 HKAB O=C(CSCc1csc(-c2cccc(Br)c2)n1)Nc1ccccc1 12906658 NIVZCUAZFRLPMV-UHFFFAOYSA-N 419.369 5.445 0 40 HKAB Cc1ccc(COc2cccc(/C=C3\NC(=S)N(c4ccccc4C)C3=O)c2)cc1 13547040 UZWYJMVSDBROQK-JCMHNJIXSA-N 414.530 5.145 0 40 HKAB CCOC(=O)c1cccc(NC(=O)c2ccccc2SCc2ccccc2)c1C 13649760 BEQPCFDFHIIVFO-UHFFFAOYSA-N 405.519 5.716 0 40 HKAB Cc1ccc(CSCCNC(=O)CSCc2ccc(Br)cc2)cc1 14155662 KTMIZHFAKANBLA-UHFFFAOYSA-N 424.429 5.040 0 40 HKAB Cc1csc(-n2c(C)cc(-c3csc(CC(=O)Nc4ccccc4C)n3)c2C)n1 14227101 JCWQLJROQPPHFA-UHFFFAOYSA-N 422.579 5.472 0 40 HKAB COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1C 16362779 PYJYNXSKVNAEFL-UHFFFAOYSA-N 400.522 5.396 0 40 HKAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 17089490 LYDHOAOUEHZARP-UHFFFAOYSA-N 413.329 6.451 0 40 HKAB CCCOc1ccccc1[C@H]1CC(=O)Nc2c1cc(Br)c1ccccc21 21776868 MWDTXPDOUGFPLW-QGZVFWFLSA-N 410.311 5.865 0 40 HKAB S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 22111361 OIAHBMGBWKUEER-UHFFFAOYSA-N 418.309 5.313 0 40 HKAB Cc1ccc([C@H](NC(=O)CCc2nnc(-c3ccsc3)o2)c2ccccc2)cc1C 25032818 ORZTYCYWKXLGQD-HSZRJFAPSA-N 417.534 5.253 0 40 HKAB S=c1[nH]c(-c2ccc(Br)cc2)nn1CN(Cc1cccs1)C1CC1 26637315 DMSSJKYHXCYCNH-UHFFFAOYSA-N 421.389 5.054 0 40 HKAB O=C(Nc1cccc2cccnc12)c1ccc(COc2ccccc2Br)o1 27971748 DMXZJZPZQFNFDU-UHFFFAOYSA-N 423.266 5.422 0 40 HKAB CC(C)(C)c1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(C(C)(C)C)c1O 33659450 GKQUTRAHLFQHHX-RGEXLXHISA-N 409.551 6.228 0 40 HKAB O=C(c1cccc(F)c1)N1C(=S)C(c2cccc(Cl)c2)=NC12CCCCC2 45933244 DKOMDLLCPJGZIK-UHFFFAOYSA-N 400.906 5.412 0 40 HKAB COc1cc(NC(=O)N2CCC[C@H]2c2ccsc2)ccc1NC(=O)OC(C)(C)C 47560438 GBGFTPHHAMRPBN-KRWDZBQOSA-N 417.531 5.473 0 40 HKAB CCn1c(-c2ccccc2)c(C(=O)CN(C)Cc2cccc(OC)c2)c2ccccc21 58160880 LKWHJQYXUSNBGD-UHFFFAOYSA-N 412.533 5.652 0 40 HKAB Cc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)cc(C)c1I 59294409 ADQFAANOYRDSEB-VMPITWQZSA-N 411.670 5.213 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1OC[C@@H]1CCCO1)c1cccc2ccccc12 59417104 ZQKXPLVGLDOMPP-KRWDZBQOSA-N 415.411 5.669 0 40 HKAB COc1c(CC=C(C)C)c(O)cc2c1[C@H]1Oc3cc(O)c(CC=C(C)C)cc3[C@H]1CO2 59729452 WIEKYGJSRGBBTQ-BCHFMIIMSA-N 422.521 5.734 0 40 HKAB biogenic,in-vitro O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)C1(c2ccc(Cl)cc2)CCCC1 70640045 KTWLDWNTNXPOPC-GOSISDBHSA-N 411.851 5.020 0 40 HKAB Cc1c(CN2CCC[C@@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)cnn1C 72374141 AQJLNIXVZNMDIP-JOCHJYFZSA-N 414.475 5.070 0 40 HKAB Cc1ccc(-c2n[nH]c(S/C(=C/c3ccccc3)C(=O)NC3CCCCC3)n2)cc1 96336882 KVOBXXDAHXHACQ-LTGZKZEYSA-N 418.566 5.362 0 40 HKAB Clc1cccc(COc2ccccc2CNc2ccc(Br)cc2)c1 107019321 JZXTVBBVEOHULW-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB CCOc1cc(C(=O)Nc2ccc3ccccc3c2)ccc1OCc1ccc(C)cc1 108049752 IXTVFQMRRSSVOP-UHFFFAOYSA-N 411.501 6.378 0 40 HKAB ClB1N(c2ccccc2)B(Cl)N(c2ccccc2)B(Cl)N1c1ccccc1 195797842 NBEGBEFUZJFOJD-UHFFFAOYSA-N 412.134 5.191 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1C1CCCCC1 223106035 ZFRKWSCUESFGOK-XZOQPEGZSA-N 408.615 5.694 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccccc1C 224104990 NITPWKVGNRFHLZ-FQEVSTJZSA-N 403.522 5.334 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1 224200449 AOSIDKSMSIIHMG-SFHVURJKSA-N 423.940 6.035 0 40 HKAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COc1ccccc1 224367576 NSACTYJYJMPFDZ-UHFFFAOYSA-N 403.522 6.041 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccccc1C 224374978 WZSGHRNFOTWEOL-UHFFFAOYSA-N 421.493 5.242 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)cc(C)c1Cl 224827718 JQKYKMFRTAAWJS-IBGZPJMESA-N 414.977 5.026 0 40 HKAB COc1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1Cl 225150784 CKRBHTUIPXICRS-UHFFFAOYSA-N 404.746 5.319 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 225379873 DBYLPQKEQHZSMV-OSVNEOKWSA-N 404.535 5.013 0 40 HKAB Cc1cc(NC(=O)C2(c3ccccc3F)CCCCC2)ccc1OCc1ccccc1 225546296 KQICEKFHISZJEB-UHFFFAOYSA-N 417.524 6.554 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc4c(c3)CCCC4)c2)cc1 225630393 BLYOZNSASXRPKT-UHFFFAOYSA-N 411.545 6.346 0 40 HKAB CC(C)(C)OC(=O)N1CCC[C@H](c2n[nH]cc2-c2ccc(CN3CCCCC3)cc2)C1 257304069 SJYCAEIBBFHZTE-NRFANRHFSA-N 424.589 5.177 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccc(F)cc2)cc1 408696969 CWGKCYLZVBDINY-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2c(C)cccc2C)nc1-c1ccc(F)cc1 408699042 UHLSEZFUTPXFTM-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB O=C(Nc1ccccc1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 408699408 UCHYTZDZHPIWOD-UHFFFAOYSA-N 409.276 5.493 0 40 HKAB C[C@@H](Sc1ccccc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 408922032 DMBCTZKCUGJDTQ-CYBMUJFWSA-N 400.396 5.524 0 40 HKAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 409003062 RCRYDMOZIRMGKN-SFHVURJKSA-N 408.542 5.108 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1Cl 409113180 DUMQCNBAQCLEEN-UHFFFAOYSA-N 424.730 7.285 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 409190878 AHFIIWZXBOAQPQ-KZKLBEMASA-N 417.914 5.767 0 40 HKAB O=C1N/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccccc1 409198644 IZMNLJUMZJAXRU-HYARGMPZSA-N 418.880 5.012 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(Oc3ccnc4cc(Cl)ccc34)c(F)c2)c(O)n1 524126928 RTGWIDXAWXSVIK-UHFFFAOYSA-N 423.831 5.481 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(COc3cccc4ccccc34)o2)cc1 659441 BWRLMVKZDWIYTG-UHFFFAOYSA-N 415.445 5.441 0 40 HKAB COc1ccc(-c2cc(C(F)(F)F)n3nc(C)c(-c4ccc(Cl)cc4)c3n2)cc1 1414074 MDXJUVCGTVTFLL-UHFFFAOYSA-N 417.818 6.053 0 40 HKAB Cc1ccc2c(c1)[C@@]1(c3ccccc3)Oc3ccc(C)cc3[C@@](c3ccccc3)(O2)O1 1690907 LJBQBMRBBYRXMQ-NSOVKSMOSA-N 406.481 6.207 0 40 HKAB Cc1cc(C)c(C[n+]2ccc3ccccc3c2)c(C)c1C[n+]1ccc2ccccc2c1 2565129 HHTIVTJBGIEBCZ-UHFFFAOYSA-N 404.557 5.590 0 40 HKAB COc1cc2c(cc1NC(=O)c1ccc(OCc3ccccc3)cc1)oc1ccccc12 2641270 BAYLRMCKWAOBGH-UHFFFAOYSA-N 423.468 6.426 0 40 HKAB O=C1N/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1Cc1ccc(Cl)cc1 2784789 QIGBIECHXAPIDO-WOJGMQOQSA-N 413.260 5.346 0 40 HKAB Cc1ccc(-c2nnc(Nc3ccc(Cl)c(C(F)(F)F)c3)c3ccccc23)cc1 2888960 MABMRPSQVFVVNO-UHFFFAOYSA-N 413.830 7.021 0 40 HKAB O=[S@@](Cc1cc(Sc2ccccc2)nc(-c2ccccc2)n1)c1ccccc1 3104600 GFQBXMRQGFENBF-MUUNZHRXSA-N 402.544 5.603 0 40 HKAB OC(CSc1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 3128216 SXVUNLUEGXMDGO-UHFFFAOYSA-N 409.765 6.675 0 40 HKAB CN1CCC(N(C)P2(=O)C=C(c3ccccc3)SC(c3ccccc3)=C2)CC1 3174686 AQQKAPFXTFFAJR-UHFFFAOYSA-N 410.523 6.035 0 40 HKAB C[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@@H](c1cccs1)N1CCCC1 3244365 FDXSPUBLHJZPBW-MBSDFSHPSA-N 406.551 5.496 0 40 HKAB CCCCCCc1c(C)c2cc3c(-c4ccc(OC)cc4)coc3c(C)c2oc1=O 4028565 LHOHOPBGFGVXDA-UHFFFAOYSA-N 404.506 6.954 0 40 HKAB biogenic Oc1nc(/C=C/c2cn(Cc3ccccc3F)c3ccccc23)cc(C(F)(F)F)n1 4149797 VETDTSCBBUKTTB-MDZDMXLPSA-N 413.374 5.514 0 40 HKAB CCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CC2CCCCC2)cc1 4341962 ZGFSKUFYUGGFBT-UHFFFAOYSA-N 404.510 6.156 0 40 HKAB CCCn1c(SCCC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 4937189 IVJPMHAXXFXTDL-UHFFFAOYSA-N 410.627 6.217 0 40 HKAB CCOc1cc(-c2ccc(O)cc2)c/c(=N\c2ccc(C)c(C)c2)c2c(C)oc(C)c12 5906015 XKFBBPQKVDJQLL-ZZIIXHQDSA-N 413.517 6.670 0 40 HKAB biogenic CC(=O)n1c(S[C@@H](C)C(=O)N(c2ccccc2)c2ccccc2)nc2ccccc21 6420445 UBKUBISXSDFKMG-KRWDZBQOSA-N 415.518 5.542 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1Cc3ccccc3[C@H]21 6548801 SABWOVREXJFSPA-IOMROCGXSA-N 410.300 6.163 0 40 HKAB COc1ccc(C)cc1NC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 6648091 VAPDNIMJCQIHRL-UHFFFAOYSA-N 405.281 5.185 0 40 HKAB CCCc1nnc(S/C(=C\c2c(-c3ccccc3)[nH]c3c(C)cccc23)C(=O)O)[nH]1 7342189 SKFAAOKJWWTNFG-AQTBWJFISA-N 418.522 5.432 0 40 HKAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc(Cl)cc1F 8000835 JYSMUNXCIZDGOL-LJQANCHMSA-N 406.935 5.188 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8106064 OXBIAEFDDIYHMD-CABCVRRESA-N 400.931 5.123 0 40 HKAB Cc1ccc(COc2ccc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1 8373020 WMPPWAMGHLZOPM-HYARGMPZSA-N 418.880 5.325 0 40 HKAB Oc1ccc(-c2nc(-c3ccc(Sc4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 8854935 ZALGLWYUPDYKBP-UHFFFAOYSA-N 420.537 7.268 0 40 HKAB O=C(Nc1cccc(F)c1)c1oc2ccccc2c1NC(=O)c1cccc2ccccc12 9413948 BLPQMVMRIQQRQP-UHFFFAOYSA-N 424.431 6.230 0 40 HKAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)c1nnc(-c2cccc(Cl)c2)o1 9593390 QQKDQWFHEGIQEP-ZDUSSCGKSA-N 423.929 5.701 0 40 HKAB CSc1ccccc1NC(=O)[C@@H](C)Sc1nc(C)nc2sc(C)c(C)c12 9788729 PXHHONCWEFVUMM-GFCCVEGCSA-N 403.598 5.458 0 40 HKAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 9805753 BPOGMGOZVSQGDB-UHFFFAOYSA-N 424.309 5.091 0 40 HKAB O=C(c1ccccc1SCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 10334023 MOHVXVNKPJSJOG-UHFFFAOYSA-N 423.581 6.822 0 40 HKAB N=C1c2c(-c3ccccc3)cc(-c3ccccc3)nc2S[C@]1(C(=O)O)c1ccccc1 12249788 SPOQLIWPWZDVMJ-AREMUKBSSA-N 422.509 5.869 0 40 HKAB Nc1c(C(=O)Nc2ccccc2C(F)(F)F)c2ccccn2c1C(=O)c1ccccc1 12342061 IBQBCAYLGUAWNQ-UHFFFAOYSA-N 423.394 5.024 0 40 HKAB CCc1ccccc1NC(=O)CNc1ccc(OC)c(Oc2ccc(OC)cc2)c1 12634708 OPJZQEUSUUUDFH-UHFFFAOYSA-N 406.482 5.109 0 40 HKAB C[C@@H](NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccc(Cl)cc1 12791816 PRWJZEDOLPBEPI-CYBMUJFWSA-N 421.349 5.449 0 40 HKAB O=C(/C=C/c1ccc(Br)cc1)N1CCC[C@H]1c1nc2ccccc2s1 12899408 PXCXHNZXIILUPW-KQPPXVQYSA-N 413.340 5.436 0 40 HKAB COc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cc(C)ccc2C)c1 13598030 DBBVVWDFXJZVLD-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB CC[C@@H](C)N(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C(C)C)[C@H](C)CC 14249602 HCMQVTACAHDOSJ-IAGOWNOFSA-N 418.607 5.052 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc(C)c1Cl 14399805 VJLCRWDXNRWVBN-JTQLQIEISA-N 407.124 6.323 0 40 HKAB COc1ccc2c(C(F)(F)F)cc(SCc3cn4c(C)csc4n3)nc2c1 16363230 GQUKKLHEPZNCBA-UHFFFAOYSA-N 409.458 5.572 0 40 HKAB CC1CCN(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2Cl)CC1 17091730 DVQPNAFMYHEAQQ-UHFFFAOYSA-N 418.968 6.347 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccc5ccccc5c4)ccc3o2)c1 17093067 JLUQMQMJLNQMPV-UHFFFAOYSA-N 422.484 6.282 0 40 HKAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cccc2c(Br)cccc12 20139069 NRRJJYVMUCSBDU-UHFFFAOYSA-N 422.278 5.607 0 40 HKAB CCOc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OCc1cccc(Cl)c1 20244055 HGJDCRALIUMWNZ-JOCHJYFZSA-N 408.885 5.172 0 40 HKAB Cc1ccc(-n2ncc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)c2C)cc1 24749446 UXIBMOJLAJOWRY-UHFFFAOYSA-N 416.550 5.119 0 40 HKAB Cc1ccc(-n2nc(C)c(NC(=O)c3cc(Br)ccc3Cl)c2C)cc1 25045027 RFIZTHGCRVOLES-UHFFFAOYSA-N 418.722 5.466 0 40 HKAB Cc1ccc(CN(C(=O)c2cc(=O)c3cc(C)c(Cl)cc3o2)c2ccccn2)cc1 27749682 STMVSEGZFSXMNY-UHFFFAOYSA-N 418.880 5.305 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3)n2)s1 32622289 UAESJBWVBNIZCF-UHFFFAOYSA-N 419.506 5.408 0 40 HKAB O=C(c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)N1CCC[C@@H]1c1cccnc1 32907941 ACVCPIVEJGICOG-HXUWFJFHSA-N 418.884 5.158 0 40 HKAB CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(F)cnc32)CC1 36443328 JSADZLCRCQAPTK-UHFFFAOYSA-N 400.881 5.027 0 40 HKAB CSc1cccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 38852547 MSPFYITVXWULIN-UHFFFAOYSA-N 409.382 5.566 0 40 HKAB O=C(Nc1nnc(SCc2ccc(Cl)c(Cl)c2)s1)c1cccc(F)c1 39723799 CSEJOWSIPZKIKK-UHFFFAOYSA-N 414.314 5.529 0 40 HKAB O=C([C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CC=C(c2ccccc2)CC1 48302112 SWFDNYJGTUXKNF-LEWJYISDSA-N 400.547 5.662 0 40 HKAB CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Cl)cc2)cc1 59483197 ZRWUXQASGLZIEF-DEOSSOPVSA-N 420.940 6.680 0 40 HKAB CCOc1ccc(NC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)cc1 64472738 PSAICOBENQGOPG-UHFFFAOYSA-N 422.937 6.510 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2Sc2ccccc2)cc1 72217700 UEXYZUQEWIPZPL-QFIPXVFZSA-N 424.591 5.457 0 40 HKAB Cc1ccc2[nH]c3c(SCC(=O)Nc4cccc(C(F)(F)F)c4)ncnc3c2c1 72331937 YFKYYHFONPBHEK-UHFFFAOYSA-N 416.428 5.169 0 40 HKAB Cc1nc(-c2ccccc2Cl)nc(N2CCC[C@H](c3noc(C4CC4)n3)C2)c1C 95406127 WXTQPZHYUAKABP-INIZCTEOSA-N 409.921 5.058 0 40 HKAB Cc1c(-c2nnc3sc([C@@H](C)c4ccc(CC(C)C)cc4)nn23)oc2ccccc12 96194282 VYWWGJVQOMUEMB-HNNXBMFYSA-N 416.550 6.258 0 40 HKAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccc1 169537096 DNSLOEAIBOMUHM-JPMIEVGJSA-N 403.481 5.110 0 40 HKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(Cc4ccco4)c3C)N21 222683028 DCJAQUZZJNRZNH-MTNREXPMSA-N 406.555 5.121 0 40 HKAB CC(C)(C)CC(C)(C)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 223419475 RMLIDBCQBRBYRC-QHCPKHFHSA-N 424.610 5.405 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccc(Cl)cc1 224159827 MTUWKXLTHOKZSO-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB O=C(Cc1cccc(Cl)c1)Nc1ccccc1SCc1ccc(Cl)cc1 224226727 FSSLHKMOEYPXBY-UHFFFAOYSA-N 402.346 6.467 0 40 HKAB CCOc1ccc(CCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1OCC 224394543 FEZAMSLVHOORDA-UHFFFAOYSA-N 403.478 5.955 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1cccc(Cl)c1 224487214 VMJIZPMWJFADIA-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccccc1C(C)C 224563344 GJVHCETXCTUXIK-UHFFFAOYSA-N 417.549 5.760 0 40 HKAB O=C(c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1)N1CCCCC1 224944935 TXODSBNNUWTTOV-UHFFFAOYSA-N 411.299 5.397 0 40 HKAB Cc1cc(NC(=S)NC2(c3ccccc3C)CCCC2)ccc1Br 225853935 HWCSTJHHSGKOTO-UHFFFAOYSA-N 403.389 5.822 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c2cccnc12 225868567 CQBYJJZVHXIPBW-UHFFFAOYSA-N 406.501 6.002 0 40 HKAB COC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1 226344877 DFLVQDGCPCQZNV-UHFFFAOYSA-N 400.059 5.086 0 40 HKAB COc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(Br)cc2Cl)o1 227147887 AWBULPCRRQZJBE-UHFFFAOYSA-N 421.678 5.206 0 40 HKAB Cc1cc(Oc2ccc(NC(=O)[C@@H]3[C@H]4CCCC[C@H]43)cc2)cc(C2CCNCC2)n1 248123310 WBNPUCPODDVVIU-FIDNPTQWSA-N 405.542 5.024 0 40 HKAB COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc(Cl)c1OC(C)C 260777737 QPWATDBZBYZVIB-ZNZDAUKMSA-N 417.962 5.120 0 40 HKAB O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1cccc(Cl)c1 408528633 KGJFMHUTCSELAH-UHFFFAOYSA-N 402.837 5.809 0 40 HKAB O=C1CS[C@@H](c2ccccc2OCc2ccc(F)cc2)N1c1ccc(Cl)cc1 408558368 UCOQSIBUUVQCHJ-QFIPXVFZSA-N 413.901 5.837 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2cccc(C)c2C)cc1 408696174 XGLVQCXJJFZCIO-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)cc1 408697634 IVPOFZDUKOOMHD-UHFFFAOYSA-N 416.912 5.711 0 40 HKAB CSc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1 409052469 TVJFIHLSBQODFN-UHFFFAOYSA-N 420.534 6.590 0 40 HKAB CCc1ccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)cc1 409117305 XIVRWDJLQZSREK-UHFFFAOYSA-N 414.318 6.342 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(C(C)C)c(OCC)cc1C 409375054 DUWSKZKDLPZYQB-HXUWFJFHSA-N 400.544 5.285 0 40 HKAB COc1ccc(OC(C)C)c(-c2ccc(C(=O)O)c(COc3ccc(C)cc3)n2)c1 585265325 LNXKLLYXFDDVPB-UHFFFAOYSA-N 407.466 5.130 0 40 HKAB C(=C1c2ccccc2[C@@H]2[C@@H]1O[C@H]1/C(=C\c3ccccc3)c3ccccc3[C@@H]12)c1ccccc1 2049238506 QTCLDESTKURNLW-HOAHDNLMSA-N 424.543 7.430 0 40 HKAB Cc1cc2cc(CN(C(=S)NC3CCCCC3)C3CCCC3)c(=O)[nH]c2cc1C 879022 YGWXNZRFDXRDNH-UHFFFAOYSA-N 411.615 5.097 0 40 HKAB Cc1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCC4)cc1 1239907 KXUVBLCNPLSNKA-UHFFFAOYSA-N 405.548 5.656 0 40 HKAB CC(C)(C)c1ccc(C2=N/C(=C/c3ccccc3OCc3ccccc3)C(=O)O2)cc1 2188138 RSTBZLHYQIIQGH-HAVVHWLPSA-N 411.501 5.908 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C(C)(C)C)C3 2270849 HHEOOMBCUFUNCG-HNNXBMFYSA-N 412.624 6.100 0 40 HKAB CCc1nc2sc3c(c2c2nnc(SCc4ccccc4)n12)CC(C)(C)OC3 2340720 BTZYVUSXHDEQSY-UHFFFAOYSA-N 410.568 5.045 0 40 HKAB Clc1ccccc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1cccs1)N1N=CNC1=N2 2401752 VXTGLPYRHQMMRG-RTWAWAEBSA-N 418.909 5.206 0 40 HKAB CCCCCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1 2721627 GRLLLAQXMOIKRR-UHFFFAOYSA-N 405.516 5.596 0 40 HKAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)c1 2723107 WBGZYWUYGIJQEO-UHFFFAOYSA-N 405.445 5.239 0 40 HKAB COc1ccc(C2=C[C@@H](c3ccc(N(C)C)cc3)Sc3cc(Cl)ccc3N2)cc1 3846935 XSETVWUFSABLID-QHCPKHFHSA-N 422.981 6.715 0 40 HKAB biogenic O=C(COc1ccc(Cl)cc1Cl)Nc1nc2c(s1)CCc1ccccc1-2 4079307 KSPXZBNWNIMQMM-UHFFFAOYSA-N 405.306 5.233 0 40 HKAB Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2)N2CCC(C)CC2)c1C 4247783 CNXCLIIWQKBUJL-JOCHJYFZSA-N 408.567 6.032 0 40 HKAB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1cc(=O)c2ccccc2o1 4278869 ZAVFLOZYWDMCNG-UHFFFAOYSA-N 402.475 5.048 0 40 HKAB CN(C)CCN(C(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2s1 4585283 PCPJFCKJEYHRAW-UHFFFAOYSA-N 415.562 5.023 0 40 HKAB CCc1cc2cc(C)cc(C)c2nc1SCC(=O)Nc1cccc(NC(C)=O)c1 4849508 ILZYDUIRXAXACJ-UHFFFAOYSA-N 407.539 5.103 0 40 HKAB CCCCOc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3C)nc2c1 5027256 IBBCOSXMESEJFU-UHFFFAOYSA-N 400.478 6.234 0 40 HKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2ccc3ncccc3c2)N1 5072165 QRGUYBWKTFREMJ-DEOSSOPVSA-N 417.472 5.034 0 40 HKAB CC(C)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccn2)cc1 5324173 YIHHEGNXGPOEIZ-JOCHJYFZSA-N 414.436 5.200 0 40 HKAB CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Nc1cccc2ccccc12 5452051 QQWMFMMZMREOAF-UHFFFAOYSA-N 406.873 5.597 0 40 HKAB Clc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(Cl)cc3Cl)C2)cc1 5519648 LJMHRMWLGXZFSV-NRFANRHFSA-N 401.724 7.003 0 40 HKAB Cc1ccccc1N(CC(=O)N(C)Cc1ccccc1)c1nc2ccccc2s1 5694609 URMVVGRMNCMHCD-UHFFFAOYSA-N 401.535 5.401 0 40 HKAB CCCCCC(=O)NC1CCC(CC2CCC(NC(=O)CCCCC)CC2)CC1 5792244 UHZZEAMJFDTUDE-UHFFFAOYSA-N 406.655 5.887 0 40 HKAB CCOc1ccccc1-c1nc(C(=O)NC2CCCCC2)cc2c1[nH]c1ccccc12 5907507 UEVSYXRAXONXPW-UHFFFAOYSA-N 413.521 5.844 0 40 HKAB biogenic CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccco4)c3)nc2c1 6243002 XENWYNMQPYEFTO-CQSZACIVSA-N 419.506 5.728 0 40 HKAB CC(C)(C)NC(=O)COC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12 6313410 WQTIRYZCZJOODP-UHFFFAOYSA-N 412.489 5.127 0 40 HKAB CCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc([C@@H](C)CC)ccc3o2)cc1 6386452 BHJDGWAGFFZJBV-HNNXBMFYSA-N 409.555 6.012 0 40 HKAB Cc1c(/C=C2/Sc3ccccc3C2=O)c2ccccc2n1Cc1ccccc1Cl 6414900 SJIXEWWJJLAVHV-ZVHZXABRSA-N 415.945 6.981 0 40 HKAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCCc4ccsc4)c(C)c3cc2c1C 6760688 NIQIDBBEHGOEDS-UHFFFAOYSA-N 423.534 5.126 0 40 HKAB Cc1ccc(Cn2nc(C)c(C(=O)OCCOc3c(C)cccc3C)c2Cl)cc1 6882146 WHEQMQIBFYDJSX-UHFFFAOYSA-N 412.917 5.054 0 40 HKAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cc(F)c(F)cc2Cl)cc1 6940105 YYZQIHSLQYUQHW-UHFFFAOYSA-N 408.231 6.625 0 40 HKAB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C2=O)c1 6967200 JQDVJSOWNUKYRJ-OEAKJJBVSA-N 413.521 5.112 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)cc1 8198205 JOJGHSQFQBYTGE-KRWDZBQOSA-N 414.505 6.659 0 40 HKAB Nc1c(C(=O)Nc2ccccc2Cl)c2ccccn2c1C(=O)c1ccc(Cl)cc1 8614279 LVSFXNGWPCTPBL-UHFFFAOYSA-N 424.287 5.312 0 40 HKAB O=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)Nc1ccccc1-c1ccccc1 8735581 RAXLUXRDDMCDLK-UHFFFAOYSA-N 423.468 5.522 0 40 HKAB Cc1ccc(C)c(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2Cl)c1 9019207 CGWGJSGQZIHCFZ-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)cc1 9135317 SCILDZAFFMAKEZ-UHFFFAOYSA-N 408.841 5.024 0 40 HKAB Cc1[nH]c(S[C@@H](C(=O)NCc2ccccc2)c2ccccc2)nc1-c1ccccc1 9191773 CVUXCUBUHXZIMY-HSZRJFAPSA-N 413.546 5.535 0 40 HKAB Cc1ccc(-c2onc3ccc(C(=O)Nc4ccc(Br)c(C)c4)cc23)cc1 9528927 BCCHNQBVEYFLNO-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB CCc1sc(-c2nnc(CN[C@H](c3ccccc3)c3ccc(C)cc3)o2)cc1C 9833362 FHJUIIBEKDIPNR-HSZRJFAPSA-N 403.551 5.857 0 40 HKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1ccc(Cl)cc1Cl 11430212 YFDZYIYUOXJSFT-UHFFFAOYSA-N 409.700 5.551 0 40 HKAB Cc1cc(NC(=O)Cc2ccc(Cl)cc2)cc(-c2nc3ccccc3s2)c1O 12843127 QXOCEEQZEPLQIP-UHFFFAOYSA-N 408.910 5.812 0 40 HKAB C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1 12862035 SSPHLLAMULGVOM-LBPRGKRZSA-N 423.727 6.112 0 40 HKAB Cc1nc(N2CCC[C@@H]2c2nc3ccccc3s2)c2c3c(sc2n1)CCCCC3 13096415 RDVMMIGZIRJUEG-QGZVFWFLSA-N 420.607 6.220 0 40 HKAB Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1C 13284019 YCYMBBOJTXMSOD-UHFFFAOYSA-N 421.444 5.119 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)Cn1cc(-c2ccc(Cl)cc2)[n+]2c1CCC2 13635108 KMYSTACCJFWPNY-ZNLUXHQJSA-N 415.985 5.046 0 40 HKAB CC(=O)c1ccc(OCCCC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 14236459 ACVFJHVPFBXTDH-LJQANCHMSA-N 403.931 5.055 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)c2)cc1 14404959 ZTDQEXYXGNVPJA-UHFFFAOYSA-N 424.504 5.302 0 40 HKAB Cc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2oc(=O)cc(-c3ccccc3)c12 16266172 RINJDXZBPWIITN-UHFFFAOYSA-N 405.668 5.914 0 40 HKAB O=C(Nc1nc(C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cs1)c1cccc(Cl)c1 16778709 RVGNQCSYWFZNFY-BRRVFRNMSA-N 407.366 5.878 0 40 HKAB CCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 17014311 HVJCKZFYZWPQOO-IOBIFIASSA-N 414.718 8.433 0 40 HKAB CC(C)COc1ccc(C(=O)NC(=S)Nc2nc3c(Cl)cccc3s2)cc1 17092048 XPJDJKLEFMAGJB-UHFFFAOYSA-N 419.959 5.111 0 40 HKAB CCCN(CCC)c1nc(Nc2cccc(OC)c2)c2cnn(-c3ccccc3)c2n1 17271742 IGIDBRBTHGTLGP-UHFFFAOYSA-N 416.529 5.194 0 40 HKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3nccc4ccccc34)c2)cc1 19690989 NBELJVMXDLTSTL-VWLOTQADSA-N 423.516 5.591 0 40 HKAB O=C(Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1)c1ccc(Cl)cc1 20442553 JBQMZMQYYCMZNK-UHFFFAOYSA-N 408.933 5.090 0 40 HKAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc2cc(F)ccc2s1 24355451 MHCKLXFCTDTZFL-UHFFFAOYSA-N 402.922 5.088 0 40 HKAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)COc1cccc(C)c1C 26124607 HPSMOVBJPZWFIT-UHFFFAOYSA-N 420.900 5.017 0 40 HKAB Clc1ccc(CSc2nnc(CN3CCCCC3)n2-c2ccccc2)s1 39573289 XLZRZMIYNSUZCW-UHFFFAOYSA-N 404.992 5.260 0 40 HKAB FC(F)(F)c1cnc(NC[C@H]2CC(c3ccccc3C(F)(F)F)=NO2)c(Cl)c1 43804492 XBUUQIQNIUVTFH-SNVBAGLBSA-N 423.744 5.378 0 40 HKAB O=C(c1cnc2ccc(Cl)cc2c1Nc1ccc(F)c(Cl)c1)N1CCCC1 64471990 JTYQLDXKBSQQJD-UHFFFAOYSA-N 404.272 5.660 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C(C)C)c2)cc1 67297550 WGIMKKLOGXVVMM-SGEDCAFJSA-N 412.489 6.050 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 72349663 BENULRWJZINOAD-GOSISDBHSA-N 413.496 5.318 0 40 HKAB Cc1nc(-c2c[nH]c(C(=O)Nc3nc(C)c(Cc4ccccc4F)s3)c2)cs1 84064527 JGWBRIIPHXWDHY-UHFFFAOYSA-N 412.515 5.194 0 40 HKAB CC(C)(C)c1ccc([C@H]2c3sc(=O)[nH]c3SC[C@@H]2C(=O)Nc2ccccc2)cc1 96318928 SQUIFESTTXZYPU-ZWKOTPCHSA-N 424.591 5.226 0 40 HKAB CCOC(=O)c1sc2c(cc(C(=O)C(F)(F)F)c3ccccc32)c1C(F)(F)F 100040936 UUAHUNQEDSEPRS-UHFFFAOYSA-N 420.330 5.995 0 40 HKAB Cc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)cc1Cl 101092233 RZMMPZZXLPUQFJ-MAUKXSAKSA-N 407.695 5.181 0 40 HKAB CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Br)c1OCC 106956519 FPNHOWWOJBLEIX-UHFFFAOYSA-N 402.691 5.651 0 40 HKAB CC[C@H](C)C(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)[C@@H](C)CC)c2ccccc21 167925383 WYDOYBRGEXKRFI-KTIHBUSBSA-N 406.570 5.978 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccccc1F 195528909 TYKDNJRHRFRXDI-JECIBPIYSA-N 404.462 5.898 0 40 HKAB CC(C)CSc1nnc(NC(=O)CCCSc2ccc(Cl)cc2)s1 222655377 FJQZCGHQNGCAPF-UHFFFAOYSA-N 402.010 5.451 0 40 HKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Cl)c(OC)c(Cl)c3)N21 222667613 ACLCDJWGWRXWNO-AFAVFJNCSA-N 408.354 5.376 0 40 HKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(F)c(Cl)c4)ccc32)c1 223083857 LGFCVMBGGPSHMB-UHFFFAOYSA-N 422.887 5.633 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cc2)cc1 224210425 KEEJAJKQDYIUNG-LOSJGSFVSA-N 424.573 5.666 0 40 HKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 224406442 BBTQEHQSYMMILO-PKTZIBPZSA-N 420.557 5.705 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccc(C)c(C)c1 224627404 MKGOUBNCAHDMED-UHFFFAOYSA-N 407.485 5.350 0 40 HKAB COc1ccc(S(=O)(=O)N(C)c2cccc(Cl)c2Cl)c(Cl)c1Cl 224628399 JSXCZJOLWBGZKU-UHFFFAOYSA-N 415.125 5.134 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 225637068 IRDFDJOLTQFPMR-IBGZPJMESA-N 422.569 5.587 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)CCCCCC1 225659346 OVODJHQEHJGPJL-UHFFFAOYSA-N 402.579 5.009 0 40 HKAB CCc1ccc([C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 225702955 IHYZNXPKRUGVOY-LJQANCHMSA-N 405.563 5.911 0 40 HKAB CCOC(=O)c1cc(NC(=S)N[C@@H](CC)c2ccc(C)cc2C)ccc1Cl 225716402 TVTXJEKWJBNDGR-IBGZPJMESA-N 404.963 5.571 0 40 HKAB CCOC(=O)c1cccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c1C 225810758 FNWXNFUGIWNBBG-UHFFFAOYSA-N 414.546 5.109 0 40 HKAB COc1ccc(C2(NC(=S)Nc3ccc(Br)c(C)c3)CCCC2)cc1 225854052 DTFFXEQZJITNNX-UHFFFAOYSA-N 419.388 5.522 0 40 HKAB CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3cccc4c(Cl)cccc34)oc2c1 226284025 MWXXSIFQSCRLIS-UHFFFAOYSA-N 418.802 6.217 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccc(F)cc2)c1 408697461 JNHPELMFZUFQDY-UHFFFAOYSA-N 422.463 5.787 0 40 HKAB CCOc1ccc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)c2ccccc12 408773624 SALPDYPJBUKXKF-FCKOQQNDSA-N 404.535 5.401 0 40 HKAB CCc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 409110421 BWANGQGHRMBLRO-UHFFFAOYSA-N 414.318 6.342 0 40 HKAB CCOc1cc(CNc2ccccc2C)cc(Cl)c1OCc1cccc(Cl)c1 409114082 BVOPLBPPROXCCN-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB COc1cc(CNc2cc(C)ccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409120976 XLVCUUHFYKKEKT-UHFFFAOYSA-N 411.523 5.000 0 40 HKAB COc1ccc2nc(NC(=O)c3ccc(COc4ccccc4OC)cc3)sc2c1 689096 QDQSEADINODXHX-UHFFFAOYSA-N 420.490 5.145 0 40 HKAB CCOc1cc(OCC)cc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c1 878076 KOYGUYXWQGWQSQ-UHFFFAOYSA-N 410.495 5.050 0 40 HKAB CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cc1OC 947332 AKMJOPUUKVMHCS-UKTHLTGXSA-N 408.523 5.486 0 40 HKAB Clc1ccccc1Cc1cn2cc(-c3ccc(Br)cc3)nc2s1 959660 CBFGDIAVEMBJAP-UHFFFAOYSA-N 403.732 6.070 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Br)o1 996208 DYFWFRJFEWWOAJ-UHFFFAOYSA-N 418.099 5.725 0 40 HKAB CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cc2cc(OC)ccc2nc1Cl 1246555 ZNXPRTRPIOBOBZ-NRFANRHFSA-N 407.901 5.293 0 40 HKAB CC(C)c1nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)c2ccccc2n1 1342951 PAOIWOZCTHQQQV-UHFFFAOYSA-N 420.563 5.608 0 40 HKAB Cc1ccccc1OCc1nn(CN2CCCCCC2)c(=S)n1-c1ccccc1 1426249 TYMRGTSZMGQKHK-UHFFFAOYSA-N 408.571 5.124 0 40 HKAB O=C(CSC(SCC(=O)Nc1ccccc1)c1ccccc1)Nc1ccccc1 1587111 DETLNCHMTKRLCC-UHFFFAOYSA-N 422.575 5.429 0 40 HKAB O=c1nc(NCc2ccccc2)ccn1-c1nc(-c2ccccc2)oc1-c1ccccc1 1738759 UZFBUOPLGXBRPX-UHFFFAOYSA-N 420.472 5.167 0 40 HKAB biogenic C1=C(c2ccccc2)N2c3ccccc3N[C@]2(c2ccccc2)C[C@@H]1c1ccccc1 2050942 RAWZQSIBVZYFPL-FUFSCUOVSA-N 400.525 7.000 0 40 HKAB CCCCCC[C@H](C)OC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O 2062854 IZGSKAPTXBGKOT-HNNXBMFYSA-N 413.901 5.656 0 40 HKAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)c(Cl)c2)cc1 2247681 CUGBLVRKTXPRSC-UHFFFAOYSA-N 421.287 5.951 0 40 HKAB O=C(CSc1nnc(-c2cccc(Br)c2)o1)c1ccc(Cl)cc1 2275531 VCPHOMGGNKTQNY-UHFFFAOYSA-N 409.692 5.128 0 40 HKAB CC1(C)CC(=O)c2cc3c(N)c(C(=O)Nc4cccc5ccccc45)sc3nc2C1 2312225 OLMNYALWWYCVGT-UHFFFAOYSA-N 415.518 5.439 0 40 HKAB CCc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c1 2951226 FHYDUALEGSFJAI-GFMRDNFCSA-N 409.898 5.590 0 40 HKAB Clc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1Cl 3135098 BRLMECHJABFURT-UHFFFAOYSA-N 411.357 7.343 0 40 HKAB CCOc1ccc2c(c1)S/C(=C/c1cccc(Oc3ccc(Cl)cc3)c1)C(=O)N2 3229395 YNMHUGFPEMVULM-LPYMAVHISA-N 423.921 6.616 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CSc3nc4ccccc4s3)ccc21 3247875 HFZNMGMJFFBWLP-UHFFFAOYSA-N 417.559 6.155 0 40 HKAB CCn1c(-c2ccccc2)c(C(=O)COc2ccc(Cl)c(C)c2)c2ccccc21 3403847 KJZBMKLQLYSELY-UHFFFAOYSA-N 403.909 6.552 0 40 HKAB O=C(COc1ccccc1Cl)Nc1c(C(=O)c2ccccc2)oc2ccccc12 3655421 GSENLHLSKNKFPO-UHFFFAOYSA-N 405.837 5.335 0 40 HKAB Cc1c(CCC(=O)NC2CC2)c(=O)oc2c(C)c3occ(-c4ccccc4)c3cc12 4089572 SSRPAYJAOVWOMP-UHFFFAOYSA-N 401.462 5.034 0 40 HKAB biogenic Oc1nc(/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc(C(F)(F)F)n1 4576463 NYZRZWYEUCLZRC-SNAWJCMRSA-N 401.171 5.938 0 40 HKAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)C1 4603673 XYJORDSSGWDSHJ-SFHVURJKSA-N 423.619 5.021 0 40 HKAB CCOc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1 4941125 TXTSOUYCZMOGIK-UHFFFAOYSA-N 406.873 5.033 0 40 HKAB C1CCCCCc2c(-c3n[nH]c4c3CCCCCCCCCC4)n[nH]c2CCCC1 5479269 DCLYQVFUCVGPFK-UHFFFAOYSA-N 410.650 7.239 0 40 HKAB Cc1nn2c(N3C[C@H](C)C[C@@H](C)C3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 5577145 NBYVIVYEPSMFGB-HZPDHXFCSA-N 410.993 6.138 0 40 HKAB C[C@H](NCc1ccccc1OCc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 5721713 KZGQAIGBCVSILJ-FJDLLSKQSA-N 410.001 6.614 0 40 HKAB C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccccc1 5866944 MDNUTHDIYMXPNF-INIZCTEOSA-N 410.543 5.013 0 40 HKAB O=C(Nc1ccccc1)c1ccc(Cl)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 5947400 BINFIZNQFYCSDQ-UHFFFAOYSA-N 408.929 5.747 0 40 HKAB CCn1c(CSc2nc3ccccc3s2)nnc1SCc1cccc(F)c1 6140557 JMGSBJIKLFFTDN-UHFFFAOYSA-N 416.572 5.631 0 40 HKAB Cc1ccccc1Nc1nnc(S[C@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)s1 6650564 JJZMJOSCJCSROZ-MKVSYHDVSA-N 404.605 5.012 0 40 HKAB CCCNc1c(NC(=O)c2sc3ccccc3c2Cl)c(=O)oc2ccccc12 6826633 SWMIUAQJNGHDQS-UHFFFAOYSA-N 412.898 5.735 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 7073124 QNVSZGHGSKACSM-QGZVFWFLSA-N 416.546 6.494 0 40 HKAB CCCCN1C(=O)c2cccc3c(NC(=O)CSc4ccc(OC)cc4)ccc1c23 7597527 HWVGULBBTXORCC-UHFFFAOYSA-N 420.534 5.340 0 40 HKAB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)S2)cc1C 8412814 GOADPSYYAXQZGL-NDENLUEZSA-N 408.910 6.299 0 40 HKAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 8442378 IXJMGDMRLSDLPE-PKNBQFBNSA-N 422.315 6.497 0 40 HKAB COc1cccc(CNCCc2c[nH]c3ccccc23)c1OCc1ccc(Cl)cc1 8495302 BJPKURLQHULBAH-UHFFFAOYSA-N 420.940 5.741 0 40 HKAB Cc1cc(-n2c(C)cc(/C=C/C(=O)N(C)[C@@H](C)c3nc4ccccc4s3)c2C)no1 8727071 REQXROHIBYSXAY-DVQDXYAYSA-N 420.538 5.233 0 40 HKAB CCc1ccc(C(=O)C[C@H](Nc2ccc(F)cc2)c2ccc(C(C)(C)C)cc2)cc1 8783309 VJZLRSSIMPGPAQ-VWLOTQADSA-N 403.541 7.112 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc(C)c1Cl 9251046 MFSNWHWLNKIART-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cc(Cl)cc(Cl)c1 9404567 LVYUTMVMLIQCOC-UHFFFAOYSA-N 415.301 6.228 0 40 HKAB COc1cc(CNCc2ccco2)cc(Br)c1OCc1ccc(F)cc1 9577372 UBYPKHGLPMPPBF-UHFFFAOYSA-N 420.278 5.059 0 40 HKAB CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1Cl 9663801 XQNQFTWLTBYSEG-UHFFFAOYSA-N 406.338 5.171 0 40 HKAB C[C@H](Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)C(=O)Nc1ccccc1 12761285 KTLJVHPSXWUKMA-AWEZNQCLSA-N 402.372 5.299 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]1CCCN(C(=O)c2ccco2)C1 12987288 QMWVMGRTWGPDGE-INIZCTEOSA-N 424.884 5.216 0 40 HKAB Cc1sc(NC2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C 13565772 IIXSCIHGOQCNRC-UHFFFAOYSA-N 411.615 6.188 0 40 HKAB c1ccc(-c2ccc(-c3nn4c(-c5ccc6ccccc6n5)nnc4s3)cc2)cc1 13735765 VJBNTECEUGISDC-UHFFFAOYSA-N 405.486 5.735 0 40 HKAB COc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)cc(Cl)c1OC(C)C 17166593 DIQFRBOBMHBVSO-UHFFFAOYSA-N 401.934 5.231 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCCCSc1ccc(F)cc1 18022289 LSOFNNXBXLDHMP-UHFFFAOYSA-N 421.900 5.025 0 40 HKAB COc1ccc(CN2CCCC[C@H]2C[C@@H](NC(=O)CC(C)(C)C)c2ccccn2)cc1 19082754 LZRSCGNUDVLUTL-XUZZJYLKSA-N 423.601 5.129 0 40 HKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)C1 19931553 HUGGUFIUJLSSSC-CQSZACIVSA-N 410.867 5.843 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 20451812 JNEMURHYIZWYFQ-IBGZPJMESA-N 423.534 5.363 0 40 HKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 20457733 SMZFENQLCWMEFB-OAQYLSRUSA-N 419.590 6.619 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2CCc2ccccc2)cc1 20484606 DBHTXRXMKULYNX-SANMLTNESA-N 401.550 5.998 0 40 HKAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NC2CCCCC2)[C@H]1c1cccs1 20904262 YXVWRDWPQXHAHQ-FGZHOGPDSA-N 410.583 5.134 0 40 HKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(O)c2)cc1 20970118 FCZGUKSREJCSKV-DEOSSOPVSA-N 424.504 5.232 0 40 HKAB CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 22690952 ZBUSONSHCNFZHJ-UHFFFAOYSA-N 418.522 5.300 0 40 HKAB O=C(CSC12CC3CC(CC(C3)C1)C2)N1N=C(c2ccco2)C[C@H]1c1ccco1 24213357 KEZOMPDQHHLULS-UVLALUNPSA-N 410.539 5.252 0 40 HKAB Cc1ccccc1N(CC(=O)c1ccc(Oc2ccccc2)cc1)C1=NCCCS1 26442278 LVCOGYQWUJHNBM-UHFFFAOYSA-N 416.546 5.970 0 40 HKAB C[C@@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1Cl)c1ccccn1 28291118 DQJPOKPJMDMVMB-OAHLLOKOSA-N 401.293 5.389 0 40 HKAB CN(Cc1c(F)cccc1Cl)Cn1nc(-c2cccs2)c2ccccc2c1=O 29502436 OJZLIRYIHGYXJE-UHFFFAOYSA-N 413.905 5.007 0 40 HKAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1cccc(NC(=O)c2cccnc2)c1 31966795 BIMMJGWVWUHOKV-UHFFFAOYSA-N 411.461 5.165 0 40 HKAB CSc1ccccc1NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 32578561 YUYXFYSLSMRLBQ-UHFFFAOYSA-N 417.490 5.143 0 40 HKAB c1cncc(-c2nc(NCc3ccc(-n4cccn4)cc3)c3c4c(sc3n2)CCC4)c1 32926997 QELAKFIYWWSFLD-UHFFFAOYSA-N 424.533 5.040 0 40 HKAB COc1ccc(C2=NN3[C@H](c4ccc(C)cc4)Oc4c(OC)cccc4[C@H]3C2)cc1 36352157 PDONABPSOACVER-RDGATRHJSA-N 400.478 5.255 0 40 HKAB COc1ccc(-c2cc(=O)n3c4ccccc4n(Cc4ccc(Cl)cc4)c3n2)cc1 40484715 XMTDCZCIWIXZHV-UHFFFAOYSA-N 415.880 5.027 0 40 HKAB O=C(Nc1cccc(OC(F)(F)F)c1)N1CCC[C@H]1c1nc2ccccc2s1 44017762 KRRJKLWOPXXZGP-HNNXBMFYSA-N 407.417 5.564 0 40 HKAB CSc1cccc(Nc2c(C(=O)N3CCC[C@H](C)C3)cnc3nc(C)ccc23)c1 49005406 VOPFLAXJFAUORD-HNNXBMFYSA-N 406.555 5.276 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCC(C)C)cc2)cc1C 59483711 BGCCKOGPCRNHRE-VWLOTQADSA-N 400.522 6.109 0 40 HKAB COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1O 71279537 PYOCKINPSLOLGV-IBGZPJMESA-N 401.532 5.062 0 40 HKAB CCCCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 72215646 KMOOMOBSZVAQSD-OAQYLSRUSA-N 401.595 6.093 0 40 HKAB C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCc2nc(-c3ccccc3F)sc2C1 72392037 VSAISRDKPNLXQJ-CQSZACIVSA-N 414.933 5.366 0 40 HKAB CCC(=O)N1N=C(c2cccc(C)c2)C[C@@H]1c1cc2ccc(OC)cc2nc1Cl 89941544 WGYVEVMUHXLBMV-OAQYLSRUSA-N 407.901 5.293 0 40 HKAB Clc1ccc(COc2ccc(Br)cc2CNc2ccccc2)cc1 107027094 KSELJJRCPLSFFC-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)cc2)cc1 222909114 YUEAJXJDVACEMX-HXUWFJFHSA-N 415.602 6.657 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)ccc1Cl 223155831 BLEOPSNOOYQWEH-CYBMUJFWSA-N 419.959 5.198 0 40 HKAB S=C(NCc1ccccc1Cl)Nc1ccc(Nc2ccc3ccccc3c2)nc1 223936467 JJVQKQVBUJEJRS-UHFFFAOYSA-N 418.953 6.118 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2OC)cc1CSc1ccc(Cl)cc1 224349626 DSLCJXDRALTUOZ-UHFFFAOYSA-N 413.926 5.902 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccc(OC)cc1 224605437 LVYIIYSQGAQWHG-KRWDZBQOSA-N 423.484 5.303 0 40 HKAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1 225023927 HQZUDENLBFWTNR-GOSISDBHSA-N 421.562 5.796 0 40 HKAB Cc1nccn1Cc1ccc(C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cc1 225296210 ZZIVURNNPYWGHU-QHCPKHFHSA-N 415.537 5.196 0 40 HKAB CC[C@@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C 225581102 GFYNBLWZOAPIAG-GOSISDBHSA-N 415.961 5.821 0 40 HKAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225699952 XSEINKZZCBANDR-XMMPIXPASA-N 404.595 5.255 0 40 HKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225745160 SLESWSKNIAROBD-RDPSFJRHSA-N 404.595 5.254 0 40 HKAB CCCCO[C@]12N=C(N)S[C@@H]1C[C@@H]1[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C 253524996 RSIJHRRFYQHUQH-NLPYHPQYSA-N 404.664 5.972 0 40 HKAB Cc1ccc([C@H](C)C(=O)NC[C@H]2CC[C@H](c3ncncc3-c3ccncc3)CC2)cc1 257240137 HSEKSXPSXKBSQN-JTAQYXEDSA-N 414.553 5.041 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(Sc4ccccc4)cc3)N21 260769307 LLTLVLQMZCXKKC-LEOXJPRUSA-N 417.603 6.212 0 40 HKAB Cn1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c2ccccc21 408632950 HYSOQQBIMAVXOV-YVLHZVERSA-N 411.870 5.100 0 40 HKAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 408640491 IYDGBXFZZUCHES-OAHLLOKOSA-N 405.325 5.110 0 40 HKAB CCOC(=O)C1=C(C)N=C(SCc2cccc(C)c2)N[C@@H]1c1ccccc1OCC 408987499 FNDUGEQPIQSALJ-JOCHJYFZSA-N 424.566 5.165 0 40 HKAB CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCc1ccc(C)cc1 409122469 ZGCMZVFNVKXBEV-UHFFFAOYSA-N 409.957 6.801 0 40 HKAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 585091761 JYMCEXWTXRFBMJ-DHIUTWEWSA-N 419.908 5.371 0 40 HKAB CC(=O)N1CC2=Nc3cccc4[nH]cc(c34)[C@@H](c3ccc(Cl)cc3Cl)C2=C1O 1547208927 JPRPXLOFCWWDNP-GOSISDBHSA-N 412.276 5.324 0 40 HKAB O=C(N[C@H](Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1)c1cccs1 631738 UBBWZAHVHMTJEI-SFHVURJKSA-N 405.306 5.106 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1OC 667117 UJUMOMNNDYVISZ-UHFFFAOYSA-N 424.456 5.918 0 40 HKAB Cc1cccc2sc(NC(=O)[C@H](C)c3cccc(C(=O)c4ccccc4)c3)nc12 682439 YHSQJKHWIZWNQL-MRXNPFEDSA-N 400.503 5.578 0 40 HKAB O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1)c1ccc(Cl)cc1 824819 JYBZJGGVCSJWSM-HXUWFJFHSA-N 420.921 5.120 0 40 HKAB CN(C(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C1CCCCC1 883897 WCGVJVFNTJORSL-UHFFFAOYSA-N 409.477 5.046 0 40 HKAB Cc1ccc2cc3c(N)c(C(=O)Nc4ccc(Br)cc4)sc3nc2c1 898951 ULZHAPGZEAZMNQ-UHFFFAOYSA-N 412.312 5.355 0 40 HKAB Cc1cccc(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1C 1305543 QZYPZUZWRRBNKG-UHFFFAOYSA-N 404.897 5.413 0 40 HKAB CCOC(=O)c1csc(-n2nc(-c3cccc4ccccc34)cc2C(F)(F)F)n1 1415756 FOSAFMDZUDOSGF-UHFFFAOYSA-N 417.412 5.345 0 40 HKAB Cc1ccc(C(C)C)c2c1CN(CCCN1COc3c(C(C)C)ccc(C)c3C1)CO2 1611859 QRAXRAQQIUWXGX-UHFFFAOYSA-N 422.613 5.944 0 40 HKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 2179088 MKPGUFWAJISHFF-UHFFFAOYSA-N 400.569 5.227 0 40 HKAB Cc1nnc2c3c4c(sc3ncn12)[C@@H](c1ccccc1)S[C@H](c1ccccc1)C4 2349352 ZYIZZRZMXVJXGX-AZUAARDMSA-N 414.559 5.767 0 40 HKAB Cc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 2368196 OOGQUEYEKBBQFX-QHCPKHFHSA-N 410.473 5.171 0 40 HKAB CSc1nc(NC[C@H]2CCCO2)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 2409622 NEBYDFAMOZXBFD-GFCCVEGCSA-N 414.600 5.164 0 40 HKAB COC(=O)c1ccc(Cn2nc(-c3ccc(F)cc3)c(C)c2-c2ccc(F)cc2)cc1 2733551 BGWKGRCVGYMMQU-UHFFFAOYSA-N 418.443 5.639 0 40 HKAB CCO[P@@](=O)(NC(C)C)SCc1csc(COc2ccc(Cl)cc2)n1 3046108 WOHBFPGZJPAZLH-QHCPKHFHSA-N 420.924 5.751 0 40 HKAB CCc1ccc(C(=O)[C@H](C)Sc2nc3sc(C)c(C)c3c(=O)n2CC)cc1 3351463 NQKFYSHKFMPKIO-AWEZNQCLSA-N 400.569 5.021 0 40 HKAB COc1ccc(CNc2ccc(C3c4ccccc4Sc4ccccc43)cc2)cc1 3882961 PFGJRJIAMRJJFU-UHFFFAOYSA-N 409.554 6.952 0 40 HKAB CCOc1ccc(CNCC[C@]2(CCC(C)C)CCO[C@H](C(C)C)C2)cc1OC 4073718 KNNBNGASMJWSSX-LOSJGSFVSA-N 405.623 5.831 0 40 HKAB biogenic Cc1ccc(C(=O)Nc2cc3ccccc3cc2NC(=O)c2ccc(C)c(C)c2)cc1C 4075657 UVLCHPRUVUVHJQ-UHFFFAOYSA-N 422.528 6.578 0 40 HKAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1ccc(Cl)cc1Cl 4305568 QSGPSAAUBMCPOX-LJQANCHMSA-N 417.361 5.589 0 40 HKAB C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1 4655286 LQWSQQKTZLDGME-UZMBMHPJSA-N 404.550 5.793 0 40 HKAB in-vitro COc1cccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccccc2)c1 4671844 QASJKSDFJAMADO-RWEWTDSWSA-N 404.853 5.580 0 40 HKAB Cc1nc(SCC(=O)N[C@H](C)c2cccc(Cl)c2)c2c(C)c(C)sc2n1 4799546 DASWTBQNBINKPJ-LLVKDONJSA-N 405.976 5.239 0 40 HKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)cc1 4812476 OZCOSAXNFYJDAO-FYYLOGMGSA-N 409.316 6.544 0 40 HKAB Cc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2cnc2ccccc23)cc1 4970024 OXFKWRSAXOAXPZ-UHFFFAOYSA-N 414.306 6.312 0 40 HKAB COCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(-c2ccccc2C)s1 4982462 TUWSMNABQSUFMZ-UHFFFAOYSA-N 409.555 5.104 0 40 HKAB COc1ccc2nc(N(Cc3cccnc3)C(=O)/C=C/c3cccs3)sc2c1 5141968 YOFIOHCAJWWGBL-VQHVLOKHSA-N 407.520 5.008 0 40 HKAB CC(C)Cc1nc2sc3c(N4CCCC[C@@H]4C)ncnc3c2c2c1COC(C)(C)C2 5156656 BKZQHRDZQZWNRK-HNNXBMFYSA-N 424.614 5.668 0 40 HKAB Cc1csc(SCc2c(C(=O)Nc3cccc(C)c3C)oc3ccccc23)n1 5242715 CSKKQKMQVUFSRX-UHFFFAOYSA-N 408.548 6.359 0 40 HKAB CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccccc1Cl 5500565 JTSYQPMRZGQARV-UHFFFAOYSA-N 408.752 5.673 0 40 HKAB O=C(C1CCC1)N(c1nc2ccccc2s1)c1cc(C(F)(F)F)ccc1Cl 6582620 MEYQAFNEGBLGKA-UHFFFAOYSA-N 410.848 6.433 0 40 HKAB COc1cc(CNC(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccccc1F 6857348 LSLGUFRVLQHKDD-UHFFFAOYSA-N 407.957 6.371 0 40 HKAB CCOc1cc(CNCCCN(C)C)cc(Cl)c1OCc1ccccc1Cl 8254111 RRFQWKMXTXLJOZ-UHFFFAOYSA-N 411.373 5.012 0 40 HKAB CC(C)n1ncc2c(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc(C3CC3)nc21 8325014 YWYIBLVZXSZTRG-UHFFFAOYSA-N 404.392 5.041 0 40 HKAB COc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(C)cc(C)c4)cc3n2)cc1Cl 8335516 GPLZFIZGFKZDRN-UHFFFAOYSA-N 420.900 5.260 0 40 HKAB CCSc1nc(NCc2cccnc2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 8659747 WXEAWZBEKVAMSD-FQEVSTJZSA-N 400.573 5.052 0 40 HKAB Cc1cc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccco2)on1 9862219 VAXXUMBDFMRIQP-UHFFFAOYSA-N 408.527 5.473 0 40 HKAB CC(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(Cl)cc3s2)cc1 10187632 ZLTXEHBFTFKXDV-UHFFFAOYSA-N 421.909 5.394 0 40 HKAB COc1cc(Cl)c(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1OC 11066513 HESVHLQSJSPUCJ-UHFFFAOYSA-N 416.909 5.059 0 40 HKAB CCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 12192422 OHYJGVXBBAKWQN-ILBGXUMGSA-N 418.924 6.371 0 40 HKAB CSc1cccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)c1 12227316 SKUWOBFVQSJTGO-UHFFFAOYSA-N 407.417 5.049 0 40 HKAB C[C@@H]1CCc2ccccc2N1Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 13096355 IYWBVQHBYYFRLK-CQSZACIVSA-N 421.953 5.646 0 40 HKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)c1 14069827 JRPKUQXUEYLEAO-UHFFFAOYSA-N 421.353 5.137 0 40 HKAB CC[C@H](C)C(=O)c1c(O)c(CC=C(C)C)c(O)c2c(-c3ccccc3)cc(=O)oc12 14586000 ZZRRSYITGMMRPP-HNNXBMFYSA-N 406.478 5.609 0 40 HKAB endogenous,in-man Cc1ccc(-c2cc(NCc3ccco3)nc(SCc3ccc(Cl)cc3)n2)cc1 15859172 YSROHHVLSYDWAG-UHFFFAOYSA-N 421.953 6.603 0 40 HKAB Cc1ccccc1CN1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)C1CCCC1 19237253 DLVOBUHHMWZBEH-HJOGWXRNSA-N 408.611 5.063 0 40 HKAB FC(F)(F)c1ccccc1CN1CCN(Cc2ccccc2C(F)(F)F)CC1 19841244 RBXUUDIDCVVRKW-UHFFFAOYSA-N 402.382 5.042 0 40 HKAB O=C1c2cc3ccccc3nc2N[C@H](c2cccc(Cl)c2Cl)N1c1ccccc1 19848819 HEPNBIYIWRIEES-QFIPXVFZSA-N 420.299 6.313 0 40 HKAB CC(=O)Nc1sc2c(c1[C@H](c1ccc(C(C)C)cc1)N1CCOCC1)CCCC2 19879462 JNIFBUCLQBVDRX-QHCPKHFHSA-N 412.599 5.130 0 40 HKAB O=c1c(-c2ccc(Cl)cc2)coc2c3c(ccc12)OCN(Cc1cccs1)C3 20678018 AYTHJDKLMQTTIM-UHFFFAOYSA-N 409.894 5.527 0 40 HKAB biogenic CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1cccc(C)c1 21005550 PVEJVXWFUABVAU-XMMPIXPASA-N 409.489 5.334 0 40 HKAB COc1ccc(SCC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 22523993 MXPLFNDWKYLIQP-UHFFFAOYSA-N 409.576 6.027 0 40 HKAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1sc2cccc(C)c2c1Cl 24841963 SKMBZNJZASUBGP-UHFFFAOYSA-N 422.884 5.242 0 40 HKAB Cc1ccccc1NC(=O)c1sc2c(c1C)[C@@H](c1c(F)cccc1F)CC(O)=N2 32096867 OPTMCNSTRSJYKL-ZDUSSCGKSA-N 412.461 6.019 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1 32126712 OMHSOKDNKJKPDK-UHFFFAOYSA-N 422.484 6.688 0 40 HKAB O=C(CCc1nnc(-c2ccccc2)o1)Nc1nc(-c2ccc(Cl)s2)cs1 32747479 MEZKFOQDRQKFAA-UHFFFAOYSA-N 416.915 5.146 0 40 HKAB CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)c4ccccc34)C(O)=NC2=S)cc1 33780322 ZCCNYDIIJUZPKZ-XSFVSMFZSA-N 416.502 5.082 0 40 HKAB CC[C@@H](c1ccc(F)cc1)n1cc(C(=O)Nc2cc(Cl)c3oc(C)cc3c2)nn1 35317097 JPXYTXIOAOPVLH-IBGZPJMESA-N 412.852 5.377 0 40 HKAB O=C1C[C@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1ccc(Cl)cc1Cl 36635892 YRQCTHRITNIKLV-LBPRGKRZSA-N 404.080 5.044 0 40 HKAB O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38848606 AVVVJQUAQPXDRR-UHFFFAOYSA-N 411.760 5.175 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38849500 SOFVMBKFQJJCMT-OAHLLOKOSA-N 411.760 5.806 0 40 HKAB Cc1cc(Br)c2oc(-c3cc(Br)ccc3Cl)nc2c1 40542319 FBWYUDWICRRYJZ-UHFFFAOYSA-N 401.485 5.982 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 44937244 KTOJGGBXVUOWDC-RUZDIDTESA-N 408.586 5.119 0 40 HKAB O=C(c1ccc2ccccc2c1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57317258 DRJCCEAYGVAEQR-UHFFFAOYSA-N 422.809 5.012 0 40 HKAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cccc(C(C)C)c3)n2)cc1 67257715 RJUUDDJPVYPOGG-UHFFFAOYSA-N 407.539 5.315 0 40 HKAB CCOC(=O)c1c(NC(=O)/C=C/c2cc3ccccc3o2)sc2c1CC[C@H](CC)C2 67339313 DEKSFJCTKRADHD-PABFRNLHSA-N 423.534 5.838 0 40 HKAB Cc1cc(OCC(=O)NCCc2ccc(OC(F)F)cc2)c(C(C)C)cc1Cl 71800863 OIOFTMVEYQLXNM-UHFFFAOYSA-N 411.876 5.111 0 40 HKAB CCC1CCC(N(C(=O)[C@@H](C)c2c(C)noc2C)[C@H](C)c2ccc(F)cc2)CC1 72283490 ZKCXFQKVLPUVPF-BDEBUNFJSA-N 400.538 6.093 0 40 HKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@H]1c1ccsc1 84618471 FTKQCLCUIBEDCG-CQSZACIVSA-N 408.367 6.155 0 40 HKAB C[C@H](NC(=O)c1cccnc1Oc1ccc(F)cc1Br)c1cccs1 84667318 GJRBREPQZRIJSV-NSHDSACASA-N 421.291 5.328 0 40 HKAB Cc1ccc2[nH]c3c(c2c1)C[C@@H](Nc1ccc(CCC(=O)N2CCCC2)cc1)CC3 95995883 RWOPSLXKLQLLCM-NRFANRHFSA-N 401.554 5.001 0 40 HKAB CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@@H]1c1ccco1 100429237 YHEYBFZIYBBNIO-QYBDOPJKSA-N 412.489 6.240 0 40 HKAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1Br 218825107 QAWRILUHFXTQIW-HNNXBMFYSA-N 404.348 5.311 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1cccc2ccccc12 219046546 IPYTXSTVEOFXLG-IIBYNOLFSA-N 405.494 5.034 0 40 HKAB Cc1c([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n(-c2ccccc2)c1C 222638125 IOCOOTXIXKNTFT-BJQRDSPESA-N 402.567 5.387 0 40 HKAB CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1 222937323 BTEQNZFJWJQBPA-XZOQPEGZSA-N 421.566 5.369 0 40 HKAB CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC 223411522 GFUBHUAHYUUMJD-QFIPXVFZSA-N 400.950 5.126 0 40 HKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)ccc1F 224895210 RWOLTZBGRZVNNJ-GOTSBHOMSA-N 420.557 5.623 0 40 HKAB CCOC(=O)c1cc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)ccc1Cl 225578336 XXEREXAJNXNNRU-QGZVFWFLSA-N 418.946 5.106 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cccc(OC(C)C)c1 225688011 PBDYYZWAFMMVSR-IBGZPJMESA-N 400.544 5.071 0 40 HKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C3CCCCC3)CC2)on1 257203123 AOTJDVTVZYUCIX-WGSAOQKQSA-N 424.589 5.534 0 40 HKAB CC[C@@H]1O[C@@H]2c3cc(CC(=O)O)ccc3OC(C)(C)[C@H]2C[C@H]1c1ccc(OC)cc1 257268865 MNOOXZGJVIKRHZ-SODVOOIJSA-N 410.510 5.133 0 40 HKAB O=C(O)c1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 312709739 FREYZIQLIGETJA-UHFFFAOYSA-N 420.484 5.142 0 40 HKAB CCCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(CC)c1-c1ccccc1 408562472 PWJKZDDERYBFNV-LCUIJRPUSA-N 408.611 5.833 0 40 HKAB S=C(NCc1ccccc1Cl)c1ccccc1OCc1ccc(Cl)cc1 408576058 PLJPOKXEOIFGGX-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB Fc1ccc(COc2ccc(CNc3ccc(Cl)cc3Cl)cc2Cl)cc1 408604655 DQWLITPVMROGAR-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB Cc1cc(C)c2nc(NC(=S)NC(=O)/C=C/c3ccc(Cl)cc3)sc2c1 408624822 CFGZYRDAOWWZNA-VMPITWQZSA-N 401.944 5.093 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3)n2)c1 408723896 AASTYXUHFIIFQM-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB CC(C)c1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 408817490 VSYSPDGKNMVMKX-RBHHSZPYSA-N 419.614 6.864 0 40 HKAB O=C(Nc1ccc2ccccc2c1)c1sc2cc(Cl)cc(Cl)c2c1Cl 408973767 UXYSUYDUGOEFMU-UHFFFAOYSA-N 406.721 7.267 0 40 HKAB COc1ccc2c(Cl)c(C(=O)Nc3cccc(Cl)c3C)sc2c1Cl 408974105 XFEDEFCFQNDELI-UHFFFAOYSA-N 400.714 6.431 0 40 HKAB Cc1cc(C)c2nc3s/c(=C\c4ccc(-c5cccc(Cl)c5C)o4)c(=O)n3c2c1 408975946 NVTXVFODQASPSX-JAIQZWGSSA-N 420.921 5.296 0 40 HKAB Fc1ccc(COc2ccc(Br)cc2CNc2ccccc2Cl)cc1 409182588 MXSNWNOCMOFFAI-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB COc1ccc(-c2nc(NC(=O)CCC(=O)c3cc(C)ccc3C)sc2C)cc1 409194754 LZBMVJODYWIKRO-UHFFFAOYSA-N 408.523 5.346 0 40 HKAB CCn1c(CC(=O)Nc2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1 409328461 VTHZZWJAQXFRQJ-UHFFFAOYSA-N 421.353 5.078 0 40 HKAB CC(C)=CCC[C@]1(C)Oc2c(-c3ccccc3C(=O)O)cccc2[C@@H]2OCCC[C@H]21 585265733 NSKGUXYAWFQNNW-CWDLOFLHSA-N 406.522 6.417 0 40 HKAB C[C@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)Nc1cccc(Cl)c1 853646 IFLZUFIFPAYCHD-NSHDSACASA-N 403.960 5.343 0 40 HKAB N=C1NC(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)S1 975120 GAOHRPCYYWOPIB-IDUWFGFVSA-N 402.306 5.135 0 40 HKAB Cc1ccccc1-n1c(SC(C)C)nc2sc3c(c2c1=O)CC(C)(C)OC3 986200 OEPMZJGRXACARV-UHFFFAOYSA-N 400.569 5.107 0 40 HKAB Cc1cc(Cl)ccc1Oc1cc(C(F)(F)F)ccc1NC(=O)c1cccnc1 1024223 LWMSIHDMWPDOLP-UHFFFAOYSA-N 406.791 6.107 0 40 HKAB CC(C)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1 1379912 CYORHYGIYGHZJC-QHCPKHFHSA-N 420.509 5.443 0 40 HKAB CCOC(=O)c1cnc2c(CC)cccc2c1Nc1ccc(N2CCCCC2)cc1 1911117 OBFSKLJWJLJOFE-UHFFFAOYSA-N 403.526 5.708 0 40 HKAB COCCCNc1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CCC3 2394172 UVLVLYVRMHOZGV-UHFFFAOYSA-N 416.616 5.097 0 40 HKAB O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccccc1C(F)(F)F 2723658 BJXOYPGWWRIVMN-UHFFFAOYSA-N 411.836 5.275 0 40 HKAB COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1OC 2746949 DDLNSAPDSKPKTK-UHFFFAOYSA-N 409.294 5.386 0 40 HKAB Cn1c2ccccc2c2cc([C@H]3Nc4ccccc4C(=O)N3c3ccc(F)cc3)ccc21 2785080 QHEAUFICIDBPIE-SANMLTNESA-N 421.475 6.242 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc2cc(Cl)cc(Cl)c2oc1=O 3108441 OXGFIYRDLWKSJM-UHFFFAOYSA-N 402.155 5.371 0 40 HKAB Cc1ccc2nc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)sc2c1 3182776 MCEQFLLQRCTECT-UHFFFAOYSA-N 404.520 5.566 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 4031565 LXZCPWCTLSFZIN-UHFFFAOYSA-N 416.502 5.747 0 40 HKAB COc1ccc([C@@H]2NCCc3c2[nH]c2ccccc32)cc1COc1cccc(C)c1C 4043565 WBAACEJLSDGPQG-SANMLTNESA-N 412.533 5.607 0 40 HKAB biogenic Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CC2 4095859 QUEDXNHFTDJVIY-RXYILKCJSA-N 416.690 8.532 0 40 HKAB endogenous,world Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccc2)N2CCC(C)CC2)c1C 4247784 CNXCLIIWQKBUJL-QFIPXVFZSA-N 408.567 6.032 0 40 HKAB O=C(NCCOc1ccc(C2CCCCC2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 4694436 HTQDNKUPDKVFJG-UHFFFAOYSA-N 423.940 6.457 0 40 HKAB OC1(c2ccccc2)c2ccc(Br)cc2-c2cc(Br)ccc21 4900476 NBMMKLJYXTVZGZ-UHFFFAOYSA-N 416.112 5.476 0 40 HKAB Cc1cccc(-c2nnc(SC/C=C/c3ccccc3)n2-c2ccc(Cl)cc2)c1 5478552 NQJDHJNGJKOCTR-UXBLZVDNSA-N 417.965 6.702 0 40 HKAB CC(C)(C)[P@@](=Nc1ccccc1C(F)(F)F)(c1ccncc1)N1CCCCCC1 5496442 ZEICXVJCLWKVHT-GDLZYMKVSA-N 423.463 6.848 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3Cl)cc2CN[C@@H](C)c2ccccc2)cc1 6602438 VDRKOTYPFIRAOX-IBGZPJMESA-N 401.941 6.352 0 40 HKAB C=CCOc1cccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c1 7603195 IDCOKKDAIYINBQ-ATVHPVEESA-N 414.870 5.173 0 40 HKAB Cc1cc(-c2ccc(Cl)cc2)n2nc(Cc3ccccc3)c(-c3ccccc3)c2n1 7604629 HWUZLTQQVQWILN-UHFFFAOYSA-N 409.920 6.616 0 40 HKAB COc1cc(CNC2CCCCC2)cc(Br)c1OCc1ccccc1 8470294 FMVLNBDXGOGBDF-UHFFFAOYSA-N 404.348 5.459 0 40 HKAB Cc1cc(NC(=O)c2cccc(Br)c2)cc(-c2nc3ccccc3o2)c1O 9135219 NURNXMCXRYARGT-UHFFFAOYSA-N 423.266 5.524 0 40 HKAB Cn1ccnc1[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 9466717 JRBCQNFOKLPEMT-JOCHJYFZSA-N 417.896 5.385 0 40 HKAB C[C@@H](NC(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)c1ccccc1 9633031 LQNOXNFIXKRISH-GFCCVEGCSA-N 422.000 5.286 0 40 HKAB CCCCc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 10314934 VWVPFSIKJPUZLQ-UHFFFAOYSA-N 422.550 5.391 0 40 HKAB Cc1nc(-c2ccccc2Cl)nc2sc(C(=O)Nc3nccs3)c(C)c12 12323569 CPHOXKVWZQRFNM-UHFFFAOYSA-N 400.916 5.337 0 40 HKAB Ic1ccccc1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 12555138 JOYVLWHBAWDLNC-IBGZPJMESA-N 423.257 5.280 0 40 HKAB O=C(c1csc(-c2ccc(F)cc2)n1)N1CCC[C@H]1c1nc2ccccc2s1 12567208 BCIMPCMBLSTRKQ-KRWDZBQOSA-N 409.511 5.536 0 40 HKAB Cc1cc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(C)n1C[C@H]1CCCO1 12976530 YCYJEHYSLWMVDB-HXUWFJFHSA-N 421.566 5.423 0 40 HKAB C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 13010646 WTNVOYUFTREGDF-NSHDSACASA-N 410.392 5.619 0 40 HKAB Cc1ccc(C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1NC(=O)c1ccco1 13114453 LCLVYOWUDVCJDG-LJQANCHMSA-N 424.500 5.998 0 40 HKAB O=C1N/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1Cc1ccccc1 15008794 YNPIJEMPJQULDL-WOJGMQOQSA-N 413.260 5.346 0 40 HKAB CC(=O)N1CCc2cc(N[C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)ccc21 15525537 LZOXSMJYGWTTAB-VWLOTQADSA-N 409.489 5.113 0 40 HKAB Cc1cc(NC(=S)Nc2ccccc2)ccc1N1C(=O)c2cccc(Cl)c2C1=O 16282458 QEWIJPVFJJQQOM-UHFFFAOYSA-N 421.909 5.258 0 40 HKAB O=S(=O)(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccccc1 16491536 DKRWLAMVDOFVOR-UHFFFAOYSA-N 419.289 5.602 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C2SCCS2)cc1 16497438 NNFVDEXWLVLVIX-FQEVSTJZSA-N 410.564 5.068 0 40 HKAB Clc1ccc(COc2ccc3ccccc3c2CNC[C@H]2CCCO2)c(Cl)c1 16525882 KRZMXSVGBCMNIY-LJQANCHMSA-N 416.348 5.994 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 17087316 MHSNJCVKTFCNFC-UHFFFAOYSA-N 406.448 5.447 0 40 HKAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2C)cc1C 21595167 QSUXPNBSHBAHJI-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB COc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)N(C)Cc5cccc(OC)c5)(C4)C2)C3)cc1 25494109 DFRPFAIIEWIRAF-FTRDYKAISA-N 419.565 5.200 0 40 HKAB COc1ccc(CN(C(=O)c2oc3ccc(Cl)cc3c2C)c2ccccn2)cc1 27742152 YMGSKXYDYWTWBS-UHFFFAOYSA-N 406.869 5.645 0 40 HKAB O=C(CCSc1ccc(Cl)cc1)NCc1ccc(CN2CCCCC2)cc1 44873354 IBHOYNHIWDQONM-UHFFFAOYSA-N 402.991 5.125 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccc(-c2nc3ncccc3o2)cc1 57333601 PHEGPQYOUVDGCK-CSKARUKUSA-N 424.287 5.526 0 40 HKAB CCN1c2ccc(C(=O)Nc3ccccc3C(C)C)cc2-c2ccccc2S1(=O)=O 65315071 GIFAUAYIGSPQNW-UHFFFAOYSA-N 420.534 5.258 0 40 HKAB CCc1ccc(-c2cc(NC(=O)Nc3cc(-c4ccc(CC)cc4)no3)on2)cc1 69417793 IGGJNTJERICWDH-UHFFFAOYSA-N 402.454 5.765 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2F)cc1Cl 72332657 QDHRKMZQZDBMLG-XUZZJYLKSA-N 422.887 6.120 0 40 HKAB CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cn(C)c3ccccc23)C1 72352289 RRDIKOLNFVXUKF-QGZVFWFLSA-N 417.578 5.084 0 40 HKAB O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1cccc(C(F)(F)F)c1 90607132 LYTUFVHCORKGTF-UHFFFAOYSA-N 414.431 5.009 0 40 HKAB CCOC(=O)/C=C(C)/C=C/c1ccccc1-c1ccc2c(c1)C(C)(C)C(C)(C)C2(C)C 96171663 XBJOBWYAHQZZSW-APFPQQRPSA-N 416.605 7.471 0 40 HKAB Cc1ccc(NCc2cc(Br)ccc2OCc2ccccc2F)cc1 107027301 WBZJZWCROMWLFR-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 222942922 COKCXHHHATUZSB-XMMPIXPASA-N 424.585 5.253 0 40 HKAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc(C)c(C)c1 224294525 DWFJDLFXJJEPTN-UHFFFAOYSA-N 401.506 5.090 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCc3ccncc3)c2)cc1 225334249 CSOZUAAURMKVAR-UHFFFAOYSA-N 403.551 5.097 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 225375441 LYPXHXKQSKJTKN-UHFFFAOYSA-N 419.352 5.581 0 40 HKAB CCCCOc1ccc(NC(=O)C2(OCCC)CCC(C)CC2)cc1C(=O)OCC 225856644 XTQMMPJNPCIXOG-UHFFFAOYSA-N 419.562 5.356 0 40 HKAB O=C(c1ccc(Cl)cc1Cl)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 408609915 PKSKJSHSURJTQG-UHFFFAOYSA-N 417.380 5.512 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1 408620012 GLTWBRVCNHBHNB-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2ccccc2F)nc1-c1cccc(Cl)c1 408700154 ZDEPQZBBDGRZTE-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 408875248 ICOFTFSTXIYEEP-UHFFFAOYSA-N 419.956 5.223 0 40 HKAB O=C(NCc1cncc(-c2ccoc2)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 575619407 FMYKUVVIXUMIMB-UHFFFAOYSA-N 414.305 5.309 0 40 HKAB COC(=O)c1cccc(NC(=O)CCOc2ccc(C(C)(C)CC(C)(C)C)cc2)c1 1772657245 FLLJXWXMLLAKKZ-UHFFFAOYSA-N 411.542 5.595 0 40 HKAB CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)cc1C)c1ccccc12 834417 RXBWYIWFYMZKHZ-UHFFFAOYSA-N 407.491 5.515 0 40 HKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1cc(C)cc(C)c1 1924945 QSOFEADUVKPEGN-UHFFFAOYSA-N 409.507 5.226 0 40 HKAB CCOCN(C(=O)CSc1nc2cc(Cl)ccc2[nH]1)c1c(C)cccc1CC 1926949 ZOAYLKGDQZBYJX-UHFFFAOYSA-N 417.962 5.206 0 40 HKAB CCCSc1nnc2c(n1)O[C@@H](c1c(F)cccc1Cl)Nc1ccccc1-2 2084008 CXEJBZXGKKOTGI-KRWDZBQOSA-N 402.882 5.336 0 40 HKAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1ccc(Cl)cc1)CO2 2112834 VBEDYBMUHCOXFP-UHFFFAOYSA-N 403.865 5.778 0 40 HKAB biogenic Clc1ccc([C@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)O2)cc1 2276588 LOCVCTDQWQYLRP-UXHICEINSA-N 400.703 6.333 0 40 HKAB Cc1nc(SCc2ccccc2)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 2372339 ODMAMOGBLMENRG-UHFFFAOYSA-N 407.564 5.692 0 40 HKAB COc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)c3ccccc3n2)cc1 3037536 KTPBXMYMCVVNOD-UHFFFAOYSA-N 402.881 5.494 0 40 HKAB CCOc1ccc2nc(NC(=O)Cc3sc(C)nc3-c3ccc(C)cc3)sc2c1 3297678 FJESJGRLLLMXCH-UHFFFAOYSA-N 423.563 5.617 0 40 HKAB Cc1cccc(OCCCC(=O)Nc2c(C(=O)c3cccs3)oc3ccccc23)c1 3410977 GDTYRJJTMARPRA-UHFFFAOYSA-N 419.502 5.831 0 40 HKAB CCCCOc1ccc(-c2noc(-c3c(-c4ccccc4Cl)noc3C)n2)cc1 3584676 SDYGDFAJRLHDLH-UHFFFAOYSA-N 409.873 6.199 0 40 HKAB O=C(Nc1ccccc1)OCCc1cccc(CCOC(=O)Nc2ccccc2)c1 3845291 CGUYTWUUWSVDMF-UHFFFAOYSA-N 404.466 5.269 0 40 HKAB biogenic CCOC(=O)c1c(NC(=O)CCC(=O)O)sc(C)c1-c1ccc(C(C)(C)C)cc1 3864299 WOTVOXOQEDYVLF-UHFFFAOYSA-N 417.527 5.001 0 40 HKAB Cc1ccc(C)c(Cn2cc(SCC(=O)N3CCC(C)CC3)c3ccccc32)c1 4059740 KWVCXXZYTNAWOV-UHFFFAOYSA-N 406.595 5.657 0 40 HKAB Cc1ccc(-n2c(S[C@H](C)c3ccccc3)nc3c([nH]c4ccccc43)c2=O)cc1 4106595 KRNSMQKPMQSNFO-QGZVFWFLSA-N 411.530 6.029 0 40 HKAB O[C@H](COc1ccc(-c2ccccc2)cc1)CN1CCC(Cc2ccccc2)CC1 4279611 LLRZTMKGVGCFTO-SANMLTNESA-N 401.550 5.048 0 40 HKAB Cc1c(-c2ccc(Br)cc2)c(=O)oc2ccc(OC(=O)C(C)C)cc12 4340710 SUTFIZVKIZOIIK-UHFFFAOYSA-N 401.256 5.092 0 40 HKAB biogenic CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCC3 4438451 XGVOQNMOTQFJLI-UHFFFAOYSA-N 414.596 5.617 0 40 HKAB COc1ccc2[nH]cc(CCNC(=O)[C@H](Sc3ccccc3)c3ccccc3)c2c1 4783594 VBEYIXUKNBWNOT-XMMPIXPASA-N 416.546 5.369 0 40 HKAB Cc1ccc(NC(=O)NCCCCCCNC(=O)Nc2ccc(C)cc2C)c(C)c1 5002498 BQLXYVORAXVHJV-UHFFFAOYSA-N 410.562 5.424 0 40 HKAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc2noc(-c3ccc(Cl)cc3)c2c1 5032121 YMXXAGAZJOGELS-DEDYPNTBSA-N 400.821 5.493 0 40 HKAB Cc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccc3c(c2)OCO3)cc1 5307761 XJTVCBNNBWFHTB-UHFFFAOYSA-N 415.470 5.218 0 40 HKAB c1ccc2c(c1)N=C(c1ccc3ccccc3c1)C[C@@H](c1cccc3ccccc13)S2 5890718 RPIIXKQGDLCXIA-LJAQVGFWSA-N 415.561 8.351 0 40 HKAB C[C@@H](Sc1ncnc2cc(-c3ccc(F)cc3)sc12)C(=O)NC1CCCC1 6364825 RFMTXLRJQXYEER-GFCCVEGCSA-N 401.532 5.037 0 40 HKAB COc1ccc(-c2coc3cc(OCc4ccc(F)cc4Cl)ccc3c2=O)cc1 6846501 JEFNSQGQRGFAMS-UHFFFAOYSA-N 410.828 5.840 0 40 HKAB biogenic COc1cc(CNCC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 6883541 XTCWOHXJKSKUCT-UHFFFAOYSA-N 402.749 5.980 0 40 HKAB C[C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)Nc1ccccc1 6900404 WSNMXPNYYQGJFL-OAHLLOKOSA-N 406.536 5.115 0 40 HKAB O=C(Nc1ccccc1)c1ccc(CSc2ccc(C3CCCCC3)cc2)cc1 6999182 MNQIKYJPIDREQN-UHFFFAOYSA-N 401.575 7.279 0 40 HKAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2[C@H](C)c2ccccc2)CC1=O 7543714 RLLWFBGOYCIVRC-QUCCMNQESA-N 411.505 5.175 0 40 HKAB COc1ccc(CC(=O)N(Cc2ccco2)c2nc3c(Cl)cccc3s2)cc1 7614484 HBASPLSTJNQKAD-UHFFFAOYSA-N 412.898 5.327 0 40 HKAB CCCCn1nc(C)c(/C=C/C(=O)N(c2ccccc2)c2nc(C)cs2)c1Cl 8073388 WDQVVQALLPBWHT-VAWYXSNFSA-N 414.962 5.788 0 40 HKAB CC(C)OC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 8560784 VOKJEGZCZJZCEK-WYMLVPIESA-N 409.869 5.817 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 8791338 UZANWKGUSNRANB-UHFFFAOYSA-N 414.701 5.426 0 40 HKAB CC(C)(C)c1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)C2CCCCC2)cc1 9216435 OECBAGBDPRDRRH-UHFFFAOYSA-N 416.565 5.801 0 40 HKAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Cl)cc1 9411796 ZDCGMMJRVYAGEU-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB COc1ccccc1C(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccccc1C 9463220 BVYAWZSQGZAFOS-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB C[C@@H]1CCc2c(sc(NC(=O)c3sc4cc(F)ccc4c3Cl)c2C(N)=O)C1 9671541 HNJMKOWDYGGUKF-MRVPVSSYSA-N 422.934 5.231 0 40 HKAB COC(=O)c1c(NC(=O)CCCSc2ccc(Cl)cc2)sc2c1CCCC2 9910690 OKKQHURPNQEOPL-UHFFFAOYSA-N 423.987 5.578 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 10120028 RYBRENVFBCWIAU-UHFFFAOYSA-N 400.478 5.850 0 40 HKAB Cc1ccccc1Cn1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1=O 10187756 GTXJWAINDQKYPG-UHFFFAOYSA-N 420.818 5.130 0 40 HKAB Cc1ccc(Sc2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)c(C)c1 12568720 OLACMNZBAOYPAG-LFYBBSHMSA-N 403.503 5.835 0 40 HKAB O=C1Nc2ccccc2/C1=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 12628377 MEIFYAVYDJRNRA-WQRHYEAKSA-N 424.269 5.660 0 40 HKAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccccc1-c1nnc2n1CCCCC2 12777003 BSAXGZOAHLWKPF-UHFFFAOYSA-N 415.324 5.160 0 40 HKAB Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C\c1ccc(C(=O)O)cc1 12779130 KELMBIWUXWFQRP-QGOAFFKASA-N 414.486 5.076 0 40 HKAB CCOc1cc2c(cc1NC(=O)c1cc(Cl)c(OC(C)C)c(OC)c1)O[C@H](C)C2 12975558 KPVNTTGIMOUGRT-CYBMUJFWSA-N 419.905 5.110 0 40 HKAB COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3N=C3Sc4ccccc4N32)cc1 13148281 HZBZMBMXXRTUPL-QHCPKHFHSA-N 424.529 5.892 0 40 HKAB CCCCOc1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(OCCCC)cc2)cc1 13576289 HNDDMVNOCNVGLT-PSWAGMNNSA-N 416.514 5.201 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2Cc2cccc(Cl)c2)cc1 13597267 GWLNEVQLZCIYQC-MRXNPFEDSA-N 419.912 5.238 0 40 HKAB COc1cccc(-c2nn(Cc3ccccc3F)c(-c3cccc(OC)c3)c2C)c1 13960449 BDEGSDCUCVIXMV-UHFFFAOYSA-N 402.469 5.730 0 40 HKAB CC[C@@H](C)n1c(S[C@H](C)C(=O)Nc2ccccc2C(C)C)nc2ccccc2c1=O 16798778 CQMPHSCUWZCHMQ-IAGOWNOFSA-N 423.582 5.610 0 40 HKAB CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CNCc3ccc4c(c3)OCO4)CCC[C@]21C 16949732 YOOJEFRMLLOATM-JCYYIGJDSA-N 419.609 6.339 0 40 HKAB CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 17091559 XIEQATCSDQHWGA-GOSISDBHSA-N 418.562 5.906 0 40 HKAB Cc1ccc(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 20041752 RUPWJHMXZMZQDG-UHFFFAOYSA-N 400.522 5.726 0 40 HKAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(-c2ccc(Br)cc2)o1 20139821 VMXUOFJRMUJJKD-UHFFFAOYSA-N 420.646 5.313 0 40 HKAB COc1ccc([C@@H](NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)C(C)C)cc1 21468212 SVLMRHWITQWFCB-VWLOTQADSA-N 406.526 5.413 0 40 HKAB COc1ccc([C@H]2CCCN2C(=O)CSc2ccc3ccccc3c2)cc1OC 22249276 YAZKWWMOEPRKLL-OAQYLSRUSA-N 407.535 5.313 0 40 HKAB CCc1ccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=N[C@H](CC)CS2)cc1 26532273 WQHWFLQOQBQTGA-QGZVFWFLSA-N 418.509 5.421 0 40 HKAB Cc1ccc(-c2c(C)nn3c(Nc4ccc(Br)cc4)cc(C)nc23)cc1 27585768 FVKCQNLGNTUDAQ-UHFFFAOYSA-N 407.315 5.828 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220590 MUFBUKBKCFCXON-HXUWFJFHSA-N 420.940 5.983 0 40 HKAB CC1=C[C@@H](CNCc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 30882836 CTDZLRSFKCRXKA-HJOGWXRNSA-N 416.569 5.319 0 40 HKAB biogenic,in-vitro Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3cccc(F)c3)n2)cc1 32578816 GDXACHNFQMQPLP-UHFFFAOYSA-N 403.413 5.015 0 40 HKAB CCCOc1ccc(C(=O)NC(=S)Nc2cc3oc4ccccc4c3cc2O)cc1 36612651 POZHFGGKLWHZPU-UHFFFAOYSA-N 420.490 5.207 0 40 HKAB COc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 40485371 WMXWCTSEIBWAOA-QFIPXVFZSA-N 405.881 5.401 0 40 HKAB Cc1ccc(/C=C/c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)o1 43505181 XOPKKHCDIAYUSK-SNAWJCMRSA-N 421.926 5.597 0 40 HKAB Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 44905834 PEVCKHKBDBVFAB-QGZVFWFLSA-N 419.396 5.700 0 40 HKAB Cc1ccccc1OCCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 59109296 SZJQFROOYRDNID-UHFFFAOYSA-N 422.575 5.544 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(C(C)C)c2)nc1 67294237 KUCSHTYICBDQHY-RFBIWTDZSA-N 413.477 5.450 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)N(CCc1cccs1)Cc1cccnc1 77183850 DLQFKBFHNIBZON-UHFFFAOYSA-N 421.349 5.100 0 40 HKAB CC(C)c1ccc(-c2nc(CNc3cc4c(cc3Cl)NC(=O)CO4)cs2)cc1 95349847 HCDCCXLAJQWLHA-UHFFFAOYSA-N 413.930 5.530 0 40 HKAB COc1ccc(-c2ccc3c(-c4ncc(C(=O)N(C)CC(C)C)s4)noc3c2)cc1 96154651 HYTBMSMXLQYQQW-UHFFFAOYSA-N 421.522 5.355 0 40 HKAB COc1ccc(OCCCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 96504210 UCGLKCQTCRONDU-UHFFFAOYSA-N 411.885 5.939 0 40 HKAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 107038934 SDEVRJPEYBYQPO-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccccc1F 107041872 GKGALMSNIYLOKU-UHFFFAOYSA-N 424.274 6.471 0 40 HKAB C[C@@H]1[C@H](CC[C@@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]21 118936382 MKUPQRXIRRPHDV-IKSKCRHHSA-N 418.662 5.428 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219389319 BSVLLARNLFEOSG-XLIONFOSSA-N 407.963 5.495 0 40 HKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 222935572 TUKOTUOFWGFGHH-NHCUHLMSSA-N 409.580 5.454 0 40 HKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(OCC)cc2)o1 222982127 OWBMVOCVNLRCMJ-GOTSBHOMSA-N 421.566 5.513 0 40 HKAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2C)c1 223936774 CAOXYNVTTTVBLF-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1cc(C)cc(C)c1 224198697 JUENBQIYTPPTKS-UHFFFAOYSA-N 407.535 5.865 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(Cl)c3)o2)cc1 224917854 WERQNPIVUXKNFG-UHFFFAOYSA-N 418.880 6.313 0 40 HKAB CC(C)Oc1ccc(CNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225446345 DPIXWOIOEJATCC-UHFFFAOYSA-N 402.869 5.633 0 40 HKAB COC(=O)c1cc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)ccc1Cl 225700012 UOIDRYOPIZSPBZ-OAQYLSRUSA-N 424.953 5.511 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc2cccc(Cl)c2oc1=O 226039842 AWGODUQSROUBBO-UHFFFAOYSA-N 405.837 5.278 0 40 HKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc(-c3ccc(C(=O)O)o3)c2)cc1 226355461 BABLVSIRSIPRCQ-UHFFFAOYSA-N 422.506 5.069 0 40 HKAB COc1cccc2c1CCC[C@@H]1O[C@@H]3c4cc(CC(=O)O)ccc4OC(C)(C)[C@H]3C[C@H]21 257281923 ORMYZCDHCWJKNA-XOQZDTPSSA-N 422.521 5.060 0 40 HKAB O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)C12CC3CC(CC(C3)C1)C2 408533125 PUFDVABFHYFRHQ-UHFFFAOYSA-N 410.517 5.932 0 40 HKAB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2ccccc2)cc1 408627841 OIJDFGIVCWNERI-UHFFFAOYSA-N 404.469 6.092 0 40 HKAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(Br)cc2)S1 408808596 JPEYITPBQUBLIH-UHFFFAOYSA-N 408.728 5.174 0 40 HKAB Clc1ccc(-c2nnc(SCc3ccccc3)n2-c2ccc(Cl)cc2)cc1 409105120 GMMUFCRYZAHOHQ-UHFFFAOYSA-N 412.345 6.533 0 40 HKAB COc1cc(CNc2ccccc2Cl)ccc1OCc1cccc2ccccc12 409177454 FFQSFIWDQXTMMK-UHFFFAOYSA-N 403.909 6.693 0 40 HKAB Cc1ccc2cc(CN(Cc3cccs3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1 1352811 MZNJMUODGQKXPJ-UHFFFAOYSA-N 403.507 5.132 0 40 HKAB O=C(Nc1ccccc1Cl)N(CCc1ccccc1)CCc1nc2ccccc2[nH]1 1360630 UFAODVREEDEOGO-UHFFFAOYSA-N 418.928 5.536 0 40 HKAB O=C(COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)c1ccc(F)cc1 1447931 OVUKCCMWHHRHJW-UHFFFAOYSA-N 408.812 5.514 0 40 HKAB biogenic O=C(C[C@@H](c1ccccc1)[C@H]1CCCN(c2ccccc2)S1(=O)=O)c1ccccc1 1562852 ZMCIVDFAVZLHII-UKILVPOCSA-N 419.546 5.042 0 40 HKAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2cccs2)N1c1ccc(C)c(C)c1 1761711 JDZWSSLLNPIJBE-QFIPXVFZSA-N 409.942 5.946 0 40 HKAB CCOC(=O)c1c(Nc2cccc(C)c2)nnc(-c2ccccc2)c1-c1ccccc1 1911185 CGTNZDGUKUUYAW-UHFFFAOYSA-N 409.489 6.039 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(C(C)(C)C)cc1 1966401 LFQVZTUPTVRSOO-UHFFFAOYSA-N 421.562 6.450 0 40 HKAB Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1-c1cc2ccccc2oc1=O 2056891 HZVKMUPSECVXSO-UHFFFAOYSA-N 411.501 6.318 0 40 HKAB O=C(OC1CCCCC1)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O 2068332 KZNMRWLKWFLVJX-UHFFFAOYSA-N 418.276 5.284 0 40 HKAB COc1ccc(N2N=C(C(C)=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccc(C)cc2)cc1 2138144 KUPPFNPMATTWFS-SANMLTNESA-N 413.521 5.548 0 40 HKAB CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)n(-c4ccccc4)c(=O)c23)CO1 2207934 UAIPEPHGERFNRJ-NRFANRHFSA-N 400.569 5.189 0 40 HKAB Clc1ccc(Oc2nc3ccccc3n3c(-c4ccccc4Cl)nnc23)cc1 2312081 PCSPFRXKJBRUCJ-UHFFFAOYSA-N 407.260 6.044 0 40 HKAB Cc1ccc(-c2c(NC(=O)c3cccs3)n(-c3ccc(C)cc3)nc(C)c2=O)cc1 2346228 SAUFPCWSAVRNNS-UHFFFAOYSA-N 415.518 5.139 0 40 HKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc2ccccc2oc1=O 2394887 FMVJBQBPQOAXFS-JOCHJYFZSA-N 418.832 5.227 0 40 HKAB Cc1ccc(CNC(=O)CSc2nc(NC3CCCCC3)c3ccccc3n2)cc1 2948740 ORXPLOYSTKSANX-UHFFFAOYSA-N 420.582 5.091 0 40 HKAB COc1ccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)c(OC)c1 3210093 YVCGUZPJRBPCPD-UHFFFAOYSA-N 415.323 5.448 0 40 HKAB CCCCCOc1ccc(C(=O)c2c(-c3ccc(OC)cc3)cc3ccccn23)cc1 3276739 IYCJUIWMPHWNLE-UHFFFAOYSA-N 413.517 6.415 0 40 HKAB Fc1ccccc1Nc1nnc(SCc2csc(-c3ccccc3)n2)s1 3312385 PHIWASKRAIUAAG-UHFFFAOYSA-N 400.529 5.837 0 40 HKAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccc(F)cc1Cl 3317750 GCCDTMSWFZTIFL-UHFFFAOYSA-N 416.232 5.282 0 40 HKAB COc1ccc(-c2cc3ccccc3n2C[C@@H](O)CNc2ccc(C(C)C)cc2)cc1 3442408 OLWVLCCTZQXHHJ-DEOSSOPVSA-N 414.549 5.913 0 40 HKAB O=C(O)C/C(=C\c1cccc(OCc2ccccc2)c1)c1nc2ccccc2s1 3884667 PAWZZZJJPFVBFE-CPNJWEJPSA-N 401.487 5.891 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)N1OC[C@H]2COc3ccc4ccccc4c3[C@H]21 4040108 JJJGNTWUQPBWDJ-VLIAUNLRSA-N 414.383 5.388 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2N2CCN(c3ccccc3)CC2)cc1 4922448 YWSRQDXBOSGLFL-UHFFFAOYSA-N 413.565 5.563 0 40 HKAB Cc1sc2nc(SCc3cccc(Cl)c3)n(Cc3ccco3)c(=O)c2c1C 5100469 IWPFLLFDRHCUNZ-UHFFFAOYSA-N 416.955 5.662 0 40 HKAB O=C(c1ccc(Cl)s1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 5264947 SUEVBUXJKBTXQO-UHFFFAOYSA-N 403.891 5.392 0 40 HKAB COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 5442876 PXZBXUACWJKEFM-CVDCTZTESA-N 412.917 5.177 0 40 HKAB biogenic Fc1ccc(-c2ccnn2-c2nc(-c3ccc(Br)cc3)cs2)cc1 5896264 RFXLHHGCHJKMKI-UHFFFAOYSA-N 400.276 5.564 0 40 HKAB COc1ccccc1NCC(=O)Nc1ncc(Cc2c(Cl)cccc2Cl)s1 6161545 GKFDKDJLSLLOER-UHFFFAOYSA-N 422.337 5.100 0 40 HKAB CCCCn1c(SCC(=O)Nc2cccc3ccccc23)nc2ccccc2c1=O 6559093 RZGCZYLTBBUAFX-UHFFFAOYSA-N 417.534 5.081 0 40 HKAB COc1ccc2c(C)cc(SCCSc3cc(Cl)ccc3Cl)nc2c1 6912315 PEOYCUZUUKHEEU-UHFFFAOYSA-N 410.391 6.743 0 40 HKAB Cc1cccc(CSC2=NCCN2C(=O)C2c3ccccc3Oc3ccccc32)c1 7346279 XRXBJQQQCPHFEP-UHFFFAOYSA-N 414.530 5.364 0 40 HKAB Cc1cc(CSc2nnc(COc3ccccc3Cl)n2-c2ccccc2)no1 7372002 MSOFXAANBDQWSS-UHFFFAOYSA-N 412.902 5.088 0 40 HKAB Cc1ccc(NC(=O)[C@H](Sc2nnc(C)n2C2CC2)c2ccccc2)cc1Cl 7617377 XRKWORRTCINGSX-LJQANCHMSA-N 412.946 5.355 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1 8200244 RWCOWHZXAJJRPP-UHFFFAOYSA-N 403.103 5.336 0 40 HKAB Cc1cc(SCC(=O)Nc2ccccc2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 9291776 FFBNSCOGYLCTDB-UHFFFAOYSA-N 422.941 5.397 0 40 HKAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)c1 9380136 ZMSBWNPCZHTMPR-UHFFFAOYSA-N 424.544 5.981 0 40 HKAB COc1ccc([C@H]2CC(C)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 9419368 JTDZGEKYBGPKSE-GOSISDBHSA-N 413.930 5.808 0 40 HKAB Cn1c(-c2ccc(Br)cc2)cnc1NCc1ccc(Br)cc1 9849420 ZQTZBVGWJXBIBT-UHFFFAOYSA-N 421.136 5.224 0 40 HKAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)c1cccc(Cl)c1 9912934 YFVRVWBFXJPYOQ-GFCCVEGCSA-N 403.960 5.282 0 40 HKAB CCOc1ccccc1CCCNC(=O)c1ccc(CSc2ccc(C)cc2)cc1 10110889 SLWXGRUKVRGBTR-UHFFFAOYSA-N 419.590 6.049 0 40 HKAB COc1cc(NC(=O)CSCc2c(Cl)cccc2Cl)c(OC)cc1Cl 10949598 BGXGYBZKMNKVBE-UHFFFAOYSA-N 420.745 5.536 0 40 HKAB CCN(CC)CCn1c(NC(=O)c2cc(SC)ccc2Cl)nc2ccccc21 11554100 IQVZXASVTGETEB-UHFFFAOYSA-N 416.978 5.006 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(N2CCCCCC2)cc1 12524968 LPIWOQOMKWKKQO-SFHVURJKSA-N 422.598 5.308 0 40 HKAB CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCc1cccc(C)c1)n2C 12652713 MPESCSSNYFSDGB-UHFFFAOYSA-N 416.952 6.300 0 40 HKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 13686765 SQHMNNSJFHARAT-INIZCTEOSA-N 417.534 6.050 0 40 HKAB O=C1C[C@@H](c2ccc(OCc3ccccc3F)cc2)c2c(sc3c2CCCC3)N1 15085022 QEKHOXVVWYZFQC-IBGZPJMESA-N 407.510 5.819 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)C1=Cc2cc(Br)ccc2OC=C1 15838606 YNPOOPZIPWHACH-UHFFFAOYSA-N 410.189 5.396 0 40 HKAB CCCCNC(=S)Nc1ccccc1N(C(=S)NCCCC)c1ccccc1 16638880 PCQXOTGDNRAEPX-UHFFFAOYSA-N 414.644 5.586 0 40 HKAB O=C(CCc1c[nH]c2ccccc12)N1CCc2nc(-c3cc(F)cc(F)c3)sc2C1 19719920 RIFWYTYQIURZDG-UHFFFAOYSA-N 423.488 5.087 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1Cl 20609925 ZIMRSPJFYLQOFH-UHFFFAOYSA-N 406.873 5.033 0 40 HKAB Oc1nc(SCc2ccc(Cl)cc2Cl)nnc1Cc1ccc(Cl)cc1 22854703 DDZQQODRHJDRPH-UHFFFAOYSA-N 412.729 5.421 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Sc4cccc[n+]4[O-])cc3)sc2c1 23515365 TZNUCCJIMKAMBF-HNNXBMFYSA-N 421.547 5.024 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cccnc1N1CCCC1 23968563 UNPGCDSURPXHNX-UHFFFAOYSA-N 400.507 5.211 0 40 HKAB Cc1c(Cl)c(CSc2nnc3ccc(C(F)(F)F)cn23)nc2ccccc12 24144770 GWIXGFXVMWEMPA-UHFFFAOYSA-N 408.836 5.550 0 40 HKAB COc1ccc(C)cc1-c1csc(NC(=O)CCCC(=O)c2cccs2)n1 25346216 VWXRKUOZGQBNFP-UHFFFAOYSA-N 400.525 5.180 0 40 HKAB COc1cccc(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 27744354 HJLFWRBJJHBKPX-HXUWFJFHSA-N 404.897 5.392 0 40 HKAB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=C[C@H](OC)[C@]12C 28629587 PKKAVGRGAYJIIP-ZHSOWIKWSA-N 418.618 5.141 0 40 HKAB biogenic CCc1ccc(-c2noc(CSCCCC(=O)Nc3c(C)cccc3C)n2)cc1 32778700 VEXSJOLLRAMZFY-UHFFFAOYSA-N 409.555 5.568 0 40 HKAB CCOc1ccc(-c2ccc(SCc3nc(-c4ccc(C)cc4)no3)nn2)cc1 33262485 HZCVSZMXUWCZDZ-UHFFFAOYSA-N 404.495 5.193 0 40 HKAB COc1ccccc1CNC(=O)c1scc(-c2ccc(F)cc2)c1-n1cccc1 38653837 WBAYCMDHFLVJQJ-UHFFFAOYSA-N 406.482 5.284 0 40 HKAB CC(C)c1ccccc1NC(=O)Cc1csc(NC(=O)/C=C/c2ccccc2)n1 38739470 SGKXNQUFMMFFJX-OUKQBFOZSA-N 405.523 5.100 0 40 HKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)c1 38754726 UFWPUYXZEWFILO-FQEVSTJZSA-N 405.563 6.310 0 40 HKAB CCC(=O)Nc1cccc(NC(=O)c2ccc(/C=C/c3ccc4ccccc4n3)cc2)c1 40156715 RGNFBOFJNZBEFX-FOWTUZBSSA-N 421.500 6.006 0 40 HKAB CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CCC(=O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 40393108 XUPCBKGIPJPDGW-VZTATICASA-N 424.713 8.377 0 40 HKAB biogenic,in-vitro Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3ccc(Cl)cc3Cl)n2)cc1 49006900 IVXCLEHZVPKQGS-UHFFFAOYSA-N 402.281 5.085 0 40 HKAB CC[C@H](C)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 57312814 SMTPJQGDLBKNLE-ZQHZRZASSA-N 404.535 5.987 0 40 HKAB Cc1c(F)cccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 67294637 KIFPYWOLYQKQCY-VYIQYICTSA-N 406.844 6.018 0 40 HKAB c1ccc2cc(OCc3nn4c(C56CC7CC(CC(C7)C5)C6)nnc4s3)ccc2c1 80346207 JMAHMEONZUZQHI-UHFFFAOYSA-N 416.550 5.386 0 40 HKAB O=C(Nc1ccc(Nc2ccccc2)cc1)[C@@H]1CC2(CCNCC2)Oc2ccccc21 96268114 MYRFWUSZSJAKJJ-HSZRJFAPSA-N 413.521 5.057 0 40 HKAB O=C(COc1ccccc1F)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 96398733 FJPHBQRGPJCXIG-TWNBJZMYSA-N 420.440 5.214 0 40 HKAB CSc1ccc(-c2noc(-c3ncn4c3CO[C@H](c3ccccc3Cl)C4)n2)cc1 97077598 PPZUABGIEMYGMK-SFHVURJKSA-N 424.913 5.247 0 40 HKAB COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 101302575 PXZBXUACWJKEFM-AUSIDOKSSA-N 412.917 5.177 0 40 HKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1C[C@H]1CC=C(C)C1(C)C 102788485 IHXLCLUTSHQOPT-XMSQKQJNSA-N 420.597 6.899 0 40 HKAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1C[C@@H]1CC=C(C)C1(C)C 103971969 ALVSXBNVSPRINX-PGRDOPGGSA-N 406.570 6.509 0 40 HKAB CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 106171437 TYEYNTNWDGGWTD-QMTMVMCOSA-N 418.459 5.143 0 40 HKAB Cc1ccc(COc2c(Cl)cc(Cl)cc2CNc2ccc(C)c(Cl)c2)cc1 106974697 XMJQMVBHORKLLF-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219338984 HROWKVOPFUOBGW-YADHBBJMSA-N 403.522 5.724 0 40 HKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1cccc(Cl)c1 222627800 VGMXKCZVRHYFAO-INIZCTEOSA-N 403.975 5.036 0 40 HKAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(CN2CCc3ccccc3C2)cc1 222954002 WNGRFBOINNIBMF-UHFFFAOYSA-N 424.466 5.194 0 40 HKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 223739398 QGRQOJOQIHOLJH-RUZDIDTESA-N 422.613 5.214 0 40 HKAB COc1ccc(OCc2cc(C(=O)N[C@@H](C)CCc3ccccc3)ccc2OC)cc1 224272136 RYXOYHVTUIBPHO-IBGZPJMESA-N 419.521 5.034 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 224893491 OLMACHNEXGRAOK-UHFFFAOYSA-N 419.278 6.023 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(Cl)cc2F)cc1 225532714 VJIMXKBMOGZOFN-UHFFFAOYSA-N 406.240 6.186 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCC2)ccc1O[C@H](C)CC 225678601 FNUPNJCRUVWRRO-LJQANCHMSA-N 423.553 5.800 0 40 HKAB Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3cccc4c(Cl)cccc34)oc12 226286166 RLGMIJWNKYCZAC-UHFFFAOYSA-N 424.887 6.770 0 40 HKAB Cc1ccc(NC(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)cc1NC(=O)NC[C@H]1C[C@H]2CC[C@H]1C2 254698327 FCHPHCIYHHHYAK-HXIANDDZSA-N 424.589 5.110 0 40 HKAB COc1ccc(CC(=O)N2CCCC[C@H]2c2ccc(Cc3cccc(F)c3)nc2)cc1 257278352 OBXHSZNFMGRDPZ-VWLOTQADSA-N 418.512 5.116 0 40 HKAB O=Cc1cc(Br)c(Sc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)o1 408554419 DVLGGPBKRBIGHU-UHFFFAOYSA-N 419.087 5.098 0 40 HKAB Cc1c(NC(=S)NC(=O)C(C)(C)C)cccc1-c1nc2cc(Cl)ccc2o1 408627808 NXLWHMGBJOWUDH-UHFFFAOYSA-N 401.919 5.316 0 40 HKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 408680386 YNRXPZFYBUPLBC-SFHVURJKSA-N 412.489 5.065 0 40 HKAB Cc1ccc(S[C@H](C)C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 408714351 OWCMOOXDWGPJLD-QGZVFWFLSA-N 423.582 5.482 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2)cc(I)c1OCC 409119750 UDBFUXJGGRGSTJ-UHFFFAOYSA-N 411.283 5.009 0 40 HKAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2cccc(-c3ccccc3)n2)cc1 585091719 DJQMLRNWCNZNTE-UHFFFAOYSA-N 422.484 5.289 0 40 HKAB O=Cc1ccc(OC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 644743 WHHKJNOUHGYZLU-QGZVFWFLSA-N 414.288 5.354 0 40 HKAB O=C(COc1ccc(OCc2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1 873328 VCDKEAFTGZUZSJ-UHFFFAOYSA-N 401.384 5.302 0 40 HKAB CCn1c(S[C@H](C)C(=O)Nc2cccc3ccccc23)nnc1C1CCCCC1 906675 DGSLAFLVNBCZBE-MRXNPFEDSA-N 408.571 5.618 0 40 HKAB CCc1ccc(Oc2coc3cc(OC(=O)c4ccc(C)cc4)ccc3c2=O)cc1 950713 AJOSEIGYWXHIKJ-UHFFFAOYSA-N 400.430 5.675 0 40 HKAB CCc1ccc2nc(-c3ccccc3)nc(SCC(=O)NCc3cccs3)c2c1 1368180 PJTZOHUBRKGYLT-UHFFFAOYSA-N 419.575 5.329 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1 1413883 VMDNJSLPEFUNAW-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB C1=C(c2ccccc2)N2c3ccccc3N[C@@]2(c2ccccc2)C[C@H]1c1ccccc1 2050945 RAWZQSIBVZYFPL-OUTSHDOLSA-N 400.525 7.000 0 40 HKAB CCN(CC)c1ccc2cc(-c3nnc(Nc4cccc(F)c4)s3)c(=O)oc2c1 2063633 UADMJYFNRQSEBA-UHFFFAOYSA-N 410.474 5.040 0 40 HKAB O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3ccccc3F)cc2o1 2120710 PSFQHMCXWIPEIC-UHFFFAOYSA-N 414.388 5.285 0 40 HKAB biogenic COc1ccc2c(c1)c(C(=O)CN1CCCC(C)(C)C1)c(C)n2Cc1ccccc1 2275477 XNRNINJQHSIMSB-UHFFFAOYSA-N 404.554 5.311 0 40 HKAB Cc1ccc(-n2ncc3c(Nc4ccc(Oc5ccccc5)cc4)ncnc32)c(C)c1 2363905 BGKZZCDDTVBTKV-UHFFFAOYSA-N 407.477 5.968 0 40 HKAB CN(C)CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 2714597 HMENFTWLDDLMQQ-UHFFFAOYSA-N 405.933 5.105 0 40 HKAB CCOc1ccc(-n2c(S[C@@H](C)c3ccccc3)nc3c(c2=O)SCC3)cc1 2719912 VQRGGJUPRJMEBM-HNNXBMFYSA-N 410.564 5.133 0 40 HKAB C/C=C/C=C/C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 3146599 YJCXAHVXXZAZAK-QTEKZCJASA-N 424.456 5.350 0 40 HKAB COc1ccc(CNc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1OC 3299972 BTMWJRDTXCMEPM-UHFFFAOYSA-N 411.914 5.641 0 40 HKAB COC(=O)CCc1c(C)c(C(=O)c2sc3ccccc3c2Cl)c2ccccn12 3305886 BVMNRLXFMPDKBZ-UHFFFAOYSA-N 411.910 5.452 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 3328864 WWQMEZWVHQRGDC-GOSISDBHSA-N 411.505 5.211 0 40 HKAB Cc1cc(NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)ccc1Br 3402653 KVWWQIOIOFMIRB-UHFFFAOYSA-N 413.271 5.164 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)cc1 4660839 GCCDANFFPQUCST-MRXNPFEDSA-N 405.519 5.820 0 40 HKAB c1ccc([C@H]2C3=C(CCCC3)N3c4cccc5cccc(c45)N[C@@]34CCCC[C@@H]24)cc1 4729372 ZHJYKRIIBOWYNF-HTZJHERLSA-N 406.573 7.584 0 40 HKAB COc1cccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(C)c(C)c4)c3n2)c1 4740009 IDJUIFHEGBXAOK-UHFFFAOYSA-N 411.427 6.040 0 40 HKAB CCOc1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1Cl 6439744 AEAAHFNDGUNDOE-UHFFFAOYSA-N 408.910 6.268 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccccc1-c1ccccc1 7706119 VDFMHVOVCHIOKR-KRWDZBQOSA-N 402.519 5.562 0 40 HKAB CC(C)[C@H](NC(=O)/C=C/c1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCCCO2 7981111 ZDRPLJGNUWQCBP-FNNXTJRKSA-N 419.443 5.393 0 40 HKAB Cc1ccc(C(=O)Oc2ccc([C@H]3NC(=O)c4c(sc5c4CCCC5)N3)cc2)cc1 8569818 ZOOLAYFSISVKEN-NRFANRHFSA-N 418.518 5.009 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)CSc1ccc(Cl)cc1 8919368 MPJNMFKGKAQQLA-UHFFFAOYSA-N 424.978 6.656 0 40 HKAB O=C(c1ccc(-c2ccccc2F)o1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 9171850 LUBFWLWPACDZAA-HNNXBMFYSA-N 422.481 5.521 0 40 HKAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 9513838 HMVYUNMMXOYRGV-LBPRGKRZSA-N 412.477 5.551 0 40 HKAB Cc1ccc(CNc2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 12419625 RVVKKADCHPQMIH-UHFFFAOYSA-N 424.547 5.465 0 40 HKAB Cc1ccc(-c2csc(NC(=O)/C=C/c3cccc(Br)c3)n2)s1 12616650 UFIVKECOECBXRV-SOFGYWHQSA-N 405.342 5.594 0 40 HKAB CC[C@H](C)N(Cc1ccccc1)C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 12800368 WPNAUEGQDDQDBA-INIZCTEOSA-N 410.539 5.268 0 40 HKAB FC(F)(F)c1nnc2ccc(N[C@H](c3ccccc3)c3cc4ccccc4o3)nn12 12889269 XBIRCEQBKFMMKE-LJQANCHMSA-N 409.371 5.091 0 40 HKAB CC(C)[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1cccc(Cl)c1 13551970 WVTUPHUAEHTHQB-QHCPKHFHSA-N 417.940 5.865 0 40 HKAB CCc1ccc(OCc2nnc(SCc3ccc(Cl)c(Cl)c3)n2CC)cc1 13842194 NFGYMVMGNGQFFP-UHFFFAOYSA-N 422.381 6.039 0 40 HKAB COc1ccc(C(=O)c2oc3ccc(NC(=O)C4CCCCC4)cc3c2C)cc1OC 15729500 JDBGNWVLMDDMQX-UHFFFAOYSA-N 421.493 5.508 0 40 HKAB biogenic C[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)c1ccccc1 16757561 AVWIIEVBHPJBOH-LJQANCHMSA-N 407.542 6.941 0 40 HKAB CCOc1ccc(NC(=O)CCc2csc3nc(-c4ccc(OC)cc4)cn23)cc1 16848845 QCVGOKPTUWLQTO-UHFFFAOYSA-N 421.522 5.041 0 40 HKAB COC(=O)c1c(NC(=S)Nc2ccc(Cl)cc2C(F)(F)F)sc(C)c1C 17093310 UOKUTSPRRIYWPS-UHFFFAOYSA-N 422.881 5.633 0 40 HKAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccc(N3CCCCC3)cc2)s1 19819534 UZFJGEFTESNNQB-UHFFFAOYSA-N 411.596 5.742 0 40 HKAB CSc1ccc(CN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 19889966 VBSJZBGCYGALDL-UHFFFAOYSA-N 404.579 5.519 0 40 HKAB O=C(O)c1cccc(NC(=O)c2ccc(COc3ccc(-c4ccccc4)cc3)o2)c1 20530417 ZCBSXUTVQQXDTE-UHFFFAOYSA-N 413.429 5.476 0 40 HKAB O=C(Nc1ncc(Br)s1)c1sc2cccc(Cl)c2c1Cl 27980177 DAHCJCRJYQCOAN-UHFFFAOYSA-N 408.129 5.679 0 40 HKAB O=C(c1cc(Br)ccc1F)N1CCC[C@H]1c1nc2ccccc2s1 31393813 DQLWPTRGWMIOSM-HNNXBMFYSA-N 405.292 5.175 0 40 HKAB CCOc1ccc(-c2csc(-c3cc(NC(=O)c4ccccc4C)n(C)n3)n2)cc1 35683040 FVYJAIJTDPLTFU-UHFFFAOYSA-N 418.522 5.170 0 40 HKAB C[C@H]1CC[C@H](C)[C@H](NC(=O)Nc2cccc(NC(=O)N[C@@H]3C[C@H](C)CC[C@@H]3C)c2)C1 35944078 IGGGFPGDTBGUDH-QDJVIIKBSA-N 414.594 5.579 0 40 HKAB S=C(Nc1ccccc1)N1N=C(c2cccs2)C[C@H]1c1ccc2nccnc2c1 58268765 NOVJEQXQEWWNCK-FQEVSTJZSA-N 415.547 5.239 0 40 HKAB Clc1cccc(-c2nnn3c2nc(NCc2ccccc2Cl)c2ccccc23)c1 67261478 KABXYVJOXORFQU-UHFFFAOYSA-N 420.303 5.863 0 40 HKAB CSCC[C@H](C)N(C)CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 72290444 HRVLHIPDPIWYIQ-QMMMGPOBSA-N 404.190 5.312 0 40 HKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3cccc(-c4cccc(C)c4)n3)C2)cc1 72349874 VKOHDVFVKIIPAK-QFIPXVFZSA-N 413.521 5.035 0 40 HKAB CSc1cccc(NC(=O)NC2(c3nc(-c4ccsc4)no3)CCCCC2)c1 77197576 ZJKJBGRVQXTTHP-UHFFFAOYSA-N 414.556 5.501 0 40 HKAB C[C@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccccc1 100445106 XNNKGCDSEUJRMR-HNNXBMFYSA-N 423.310 5.192 0 40 HKAB CSc1cccc(NC(=O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)c1 101095107 XMQAEJHUIOJVMS-UHFFFAOYSA-N 409.511 5.513 0 40 HKAB COc1cc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3onc(C)c32)ccc1O 102716448 UEAJGAXKXZIAGL-ZHRRBRCNSA-N 402.450 5.305 0 40 HKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 103413294 WSMHTPWMHYXJSS-LTMIRXACSA-N 417.940 5.363 0 40 HKAB COc1ccc([C@H]2C=C(Nc3cc(C)cc(C)c3)C(=O)N2c2cc(C)cc(C)c2)cc1 103753542 LDKRXALVWIALBT-AREMUKBSSA-N 412.533 6.013 0 40 HKAB CC/N=C1\S/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1CC 109596526 HSUVLDIIAJFUFP-DNLCFCFBSA-N 400.931 5.231 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(Cl)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118920266 CSMNIQHGEOBTDX-POBUXQGNSA-N 423.125 7.830 0 40 HKAB Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)ccc1Cl 222844346 VPIMTSJUCQTLCF-LEWJYISDSA-N 410.974 5.215 0 40 HKAB CC[C@@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCCC2 223125436 VEIPOGGYXIQBNB-OAQYLSRUSA-N 422.421 6.373 0 40 HKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 224548297 LOLIEAHUUKWCMB-VWLOTQADSA-N 422.613 5.322 0 40 HKAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Oc2ccccc2)cc1 224863803 CWWRDBZYEAFGNE-UHFFFAOYSA-N 402.425 5.844 0 40 HKAB CC[C@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1C 225585954 OSDZHNVBMOGCMD-IBGZPJMESA-N 411.542 5.176 0 40 HKAB COC(=O)c1ccc(C)c(NC(=S)NCCCSCc2ccc(Cl)cc2)c1 225609609 NLHMSAQEAKCEPH-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB O=C1CCCN1c1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)cc1 225865209 IFGSAOUGLYOYCB-UHFFFAOYSA-N 413.974 5.223 0 40 HKAB CCOc1ccccc1N(Cc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 408622115 ATELJXHNTHVBIP-UHFFFAOYSA-N 401.915 5.134 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cc(C)ccc3C)n2)cc1 408696209 XSWAALRDYXKESH-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCCCCC1 408976783 GKWHVJHUWNSGOR-UHFFFAOYSA-N 424.508 5.162 0 40 HKAB Cc1ccc(C)c(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 409109563 HFWASTPDNZSRGO-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB Cc1ccc2c(c1)Cc1cccc(c1)CN(Cc1ccc(F)c(F)c1)CCCCCO2 643579814 LSQKYLUVYKTIDH-UHFFFAOYSA-N 421.531 6.429 0 40 HKAB CC(C)C(=O)N1CCCCCCCN(CCCc2ccccc2)Cc2ccccc21 643589453 TUXVVAXFAOEMNT-UHFFFAOYSA-N 406.614 6.075 0 40 HKAB Cc1ccc(NC(=O)c2sc3nc(-c4ccc5c(c4)OCO5)ccc3c2N)c(C)c1 661454 DGJRZSBUJCJHFL-UHFFFAOYSA-N 417.490 5.143 0 40 HKAB Cc1cc(C)c(C(=O)c2ccccc2)c(OC(=O)c2cc(F)c(F)cc2Cl)n1 1391667 OQCSGUMAXCDUMW-UHFFFAOYSA-N 401.796 5.080 0 40 HKAB Nc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccc(F)cc2)cs1 1405036 GCSGPRDMBQZKQR-UHFFFAOYSA-N 415.291 5.147 0 40 HKAB CC(C)c1cccc(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 1836320 VJWHGQAKDJJBOF-UHFFFAOYSA-N 418.924 5.919 0 40 HKAB Cc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccccc2)cc1C 2093433 XUXUOESIGQQKNY-UHFFFAOYSA-N 421.569 6.997 0 40 HKAB Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(OCc3ccccc3)cc2O)n1 2226310 BRNLNDYPELELRX-UHFFFAOYSA-N 403.869 5.331 0 40 HKAB biogenic O=C(O)c1ccc([C@H]2NC[C@@H](c3ccccc3Cl)c3c2[nH]c2ccccc32)cc1 2653516 XEPVZMXQAWUWOU-PGRDOPGGSA-N 402.881 5.344 0 40 HKAB C[C@H]1CCc2c(sc3nc([C@@H](C)SCc4cccc5ccccc45)[nH]c(=O)c23)C1 2655144 CUWQWWNIFYSQNF-LSDHHAIUSA-N 420.603 6.257 0 40 HKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NC1CCCCCC1 2799112 HLSNLUZAKXTVFT-AWEZNQCLSA-N 423.504 5.482 0 40 HKAB CCOc1ccc([C@H]2C=C(c3ccc(C(C)C)cc3)Nc3nc4ccccc4n32)cc1 2919432 LTGPJZZKNJRPCC-AREMUKBSSA-N 409.533 6.614 0 40 HKAB CC1(C)[C@H]2CC[C@]1(C)c1c2c(COC(=O)c2ccccc2F)nn1-c1ccccc1 3172219 VHMIBIBWECKVKU-AVRWGWEMSA-N 404.485 5.543 0 40 HKAB O=P(Nc1ccc(F)cc1)(Oc1ccccc1Cl)Oc1ccccc1Cl 3177106 UPCOIYASYNOZSR-UHFFFAOYSA-N 412.184 6.811 0 40 HKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CSc3nncn3C)cc2)cc1 3241982 VEUIHYNQUSHXEC-UHFFFAOYSA-N 410.543 5.026 0 40 HKAB Cc1ccc(NC(=O)n2ccc([C@H](C)Oc3ccc(-c4ccccc4)c(F)c3)n2)cc1 4060699 MDESMUBJFZKWTD-SFHVURJKSA-N 415.468 6.218 0 40 HKAB CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1C 4194699 AEPCOHBUYNNOQL-UHFFFAOYSA-N 416.502 5.701 0 40 HKAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc(Cl)cc1Cl 4305567 QSGPSAAUBMCPOX-IBGZPJMESA-N 417.361 5.589 0 40 HKAB CC1(C)[C@H]2CC[C@@H](CCOC(=O)COc3cc(Cl)c(Cl)cc3Cl)[C@@H]1C2 4748198 UGOBKUJFKZIHDK-AVGNSLFASA-N 405.749 6.031 0 40 HKAB CCc1cc2c(C)cc(C)cc2nc1SCC(=O)Nc1ccc(OC)cc1OC 4849453 QMBPNTVZNMUGOE-UHFFFAOYSA-N 410.539 5.162 0 40 HKAB COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 4854475 XOHZSIUWIWYRKM-HXUWFJFHSA-N 416.308 5.441 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4cc(C)ccc4o3)c2)cc1OC 4988514 DEDLKPXVBYMVIA-UHFFFAOYSA-N 418.449 5.087 0 40 HKAB COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(OC)cc2)cc1 5324361 VHELIVXRJUEQBQ-UHFFFAOYSA-N 417.486 5.198 0 40 HKAB O=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1ccccc1C(F)(F)F 5467237 YQSRYLFUTOXAAW-UHFFFAOYSA-N 415.367 5.293 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2CC)cc1 5478604 WDVTUHMAMOVBMS-KRWDZBQOSA-N 424.570 5.121 0 40 HKAB Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3F)c3ccccc23)cc1 5659197 HMFGANDXQLXVTH-XSFVSMFZSA-N 409.464 5.683 0 40 HKAB CCCOc1ccc(C(=O)OCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 5714150 LLMXUJZGIWLHMQ-UHFFFAOYSA-N 405.277 6.399 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)N[C@H]3CCCC[C@@H]3C)n2-c2ccccc2)c1 6422338 ZQQWGYWVIRRUAT-RXVVDRJESA-N 420.582 5.030 0 40 HKAB O=c1oc2ccc(Cc3ccccc3Cl)cc2cc1-c1nc2ccccc2s1 6473841 BIHUJYZCJLUDRO-UHFFFAOYSA-N 403.890 6.314 0 40 HKAB CCc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)S2)cc1 6570422 LCKYGXDDHHRMJR-MOSHPQCFSA-N 408.910 6.245 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 6938343 CUEUJGKJWSYXAB-MRXNPFEDSA-N 420.475 5.837 0 40 HKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)c1C 7343667 QQMIQDWOWCMAIE-JOCHJYFZSA-N 409.533 5.416 0 40 HKAB CC(=O)Nc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 7653125 APIRBKFBKSKKMQ-NWDGAFQWSA-N 411.354 5.310 0 40 HKAB CC[C@@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7929487 SNRBUVLBKNJDMU-KGLIPLIRSA-N 406.309 5.465 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(-c3ccco3)n2C)c2ccccc2)c1 8328077 BAIAPVTWEUJQEQ-HXUWFJFHSA-N 418.522 5.164 0 40 HKAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C)c2cc3ccccc3o2)cc1 8428119 ZPPXXWVZIQQIJB-INIZCTEOSA-N 404.466 5.037 0 40 HKAB C[C@@H](Sc1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)Nc1ccccc1F 8749340 WEXOECMXKDUALP-LLVKDONJSA-N 420.307 5.098 0 40 HKAB Cc1ccc(SCCCC(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 9474018 YDTQFKKKVNDVQV-UHFFFAOYSA-N 407.539 5.435 0 40 HKAB Cc1oc2c(C)c3oc(=O)c(CC(=O)Nc4ccc(F)c(F)c4)c(C)c3cc2c1C 9577184 JYSTUYYNKUNTSE-UHFFFAOYSA-N 411.404 5.232 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccc(Cl)c1Cl 9632280 CGEOCHOUHKULPI-UHFFFAOYSA-N 419.230 5.101 0 40 HKAB Cc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)cc1 9660175 MHLDNAQWYLHNFL-UHFFFAOYSA-N 411.501 6.318 0 40 HKAB biogenic COc1ccc(-c2nc(C)c(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)s2)cc1 9663281 MGHXCBRMULUPBB-UHFFFAOYSA-N 422.506 5.421 0 40 HKAB CC(C)c1ccc(C2=Nc3ccc(Br)cc3C(c3cccs3)=NN2)cc1 12497590 WSXCIYLEHXGWAG-UHFFFAOYSA-N 424.367 6.068 0 40 HKAB CCOc1ccc2nc(SCC(=O)Nc3ccccc3Oc3ccccc3)[nH]c2c1 12540149 NCLGMLWAPLIYIL-UHFFFAOYSA-N 419.506 5.485 0 40 HKAB Cc1nc2ccccc2n1CCNC(=O)c1ccccc1SCc1cccs1 12540153 UVXVEXCYNBCHPT-UHFFFAOYSA-N 407.564 5.129 0 40 HKAB CCOC(=O)c1cccc(NC(=O)c2ccc(CSc3ccccc3)cc2)c1C 13669552 ILRNOTXTBJAKRV-UHFFFAOYSA-N 405.519 5.716 0 40 HKAB COc1ccc(Cl)cc1CN(C)C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C 15642190 GMILUDNZSYHYCF-UHFFFAOYSA-N 414.937 5.070 0 40 HKAB Cc1ccc(SCC(=O)c2cc(Br)cc(Br)c2O)cc1 16310947 ZNPIJNWOPRTSIE-UHFFFAOYSA-N 416.134 5.201 0 40 HKAB Cc1ccc(-n2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)cc1 17082112 HMBFDDOFJYDAAM-UHFFFAOYSA-N 400.953 7.402 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 18097918 JYMXAABCEKSWMG-JQBYJRRVSA-N 420.295 5.390 0 40 HKAB Cc1ccc(C(C)C)c(OCCNc2ccccc2OCCCc2ccccc2)c1 19738455 KLTAHZCMCOMQDX-UHFFFAOYSA-N 403.566 6.621 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(C(=O)O)c(O)c1 20150900 FQGNWWHXZGSZRO-XBXARRHUSA-N 418.232 5.309 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1NCc1ccccc1 20382374 MYYSFLPHASHPMX-UHFFFAOYSA-N 408.910 5.333 0 40 HKAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[C@H](C)c4ccccc4)c(C)c3cc12 20427644 BJEZLQXRXZTCAX-QGZVFWFLSA-N 403.478 5.274 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1OCC 20453388 BINSNWYRCHXREE-VFNWGFHPSA-N 421.990 5.886 0 40 HKAB OC1=NC(=S)S/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 20457932 AWKILONKVSYMSS-OVCLIPMQSA-N 424.316 5.496 0 40 HKAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(CCc1ccccc1)C3 20609876 MWQLEUCPOMIMEN-UHFFFAOYSA-N 411.501 5.087 0 40 HKAB biogenic CCCCOc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)c1 20672445 BUCJWMXWTVFBTH-QHCPKHFHSA-N 419.525 5.456 0 40 HKAB CCC(=O)Nc1s/c(=N\c2ccccc2)n(C[C@H]2CCCO2)c1-c1ccc(C)cc1 26688365 QEXCRPNPEWLNKW-CPSPCKPPSA-N 421.566 5.285 0 40 HKAB COc1ccc(-c2nn3c(N[C@H](C)c4ccccc4)cc(C)nc3c2C)cc1OC 32929398 SDOGPNDPHHVJMF-QGZVFWFLSA-N 402.498 5.203 0 40 HKAB CC(C)c1ccc(/C=C2\SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1 33907139 RWAJDYXCGNKADC-NVMNQCDNSA-N 421.349 6.223 0 40 HKAB COc1ccccc1/C=C1\SC(=O)N(CNc2ccc(Cl)c(Cl)c2)C1=O 34910334 LMJRWKZAVYOADE-PXNMLYILSA-N 409.294 5.108 0 40 HKAB Cc1ccccc1CN1CCC(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 39753052 IUNZCASMYYYQPD-UHFFFAOYSA-N 412.577 5.436 0 40 HKAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(C)cc2)n2c(nc3ccccc32)N1 44859742 MCPSVIRGZKFQMG-QHCPKHFHSA-N 401.510 5.510 0 40 HKAB COc1ccc(CC2=CCC[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 51330396 CTZHBEXIMJUKEA-XTEPFMGCSA-N 424.544 6.200 0 40 HKAB Cc1csc(N2CCCN(C(=O)Nc3c(C(C)C)cccc3C(C)C)CC2)n1 56521711 RWLAXPOZIZNSQL-UHFFFAOYSA-N 400.592 5.443 0 40 HKAB c1ccc2c(Oc3ccc(Sc4ccncc4)cc3)nc(-c3ccncc3)nc2c1 58179692 RFSHOSSWLNWOST-UHFFFAOYSA-N 408.486 6.030 0 40 HKAB CCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)c3ccc(OC)cc3)cc12 65033940 NUCRYGUYTUHTLE-UHFFFAOYSA-N 416.452 5.701 0 40 HKAB C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 70688034 WQLVFSAGQJTQCK-KMVSSOTPSA-N 414.630 5.714 0 40 HKAB biogenic CC(=O)c1c(C)[nH]c(-c2csc(C3(NC(=O)c4ccccc4)CCCCC3)n2)c1C 72284609 DBXFKOZVEOBZHB-UHFFFAOYSA-N 421.566 5.547 0 40 HKAB O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 72357994 JKYPRTOZLRKSAY-QHCPKHFHSA-N 408.904 5.371 0 40 HKAB O=C(c1cccs1)N1N=C(c2cccc(Cl)c2)C[C@@H]1c1ccc2nccnc2c1 95116815 ISHVFEDHRBJBSI-HXUWFJFHSA-N 418.909 5.336 0 40 HKAB O=C(c1ccccc1)c1coc2ccc(OCc3ccc(Br)cc3)cc12 96184089 HEWWNFRGMYDPHL-UHFFFAOYSA-N 407.263 6.005 0 40 HKAB CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 107813665 ROXIVSXVSQJIEY-UHFFFAOYSA-N 422.550 5.227 0 40 HKAB COc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 118916267 YIPJBSXSAMSSSQ-RUKADYANSA-N 410.598 5.453 0 40 HKAB Oc1c(Br)cc(CNc2ccc(F)c(Cl)c2)cc1Br 218891674 JAELGAWDGIFYDH-UHFFFAOYSA-N 409.480 5.322 0 40 HKAB Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 222632263 HUQHWZWJNQMHKX-SKOKVVANSA-N 409.942 5.893 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2C)cc1CSc1ccc(Cl)cc1 224671365 LQUIUFZKWAFUHI-UHFFFAOYSA-N 411.954 6.592 0 40 HKAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N(Cc1ccccc1)Cc1ccccc1 224863913 LMIDOWWJKFFDAR-UHFFFAOYSA-N 414.480 5.642 0 40 HKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)Cc2ccc(OC)c(C)c2)c1 224887429 HDBCYVGZZMOFID-UHFFFAOYSA-N 411.885 5.639 0 40 HKAB Cc1cccc([C@@H](NC(=S)Nc2ccc(OC3CCCC3)cc2)c2ccccc2)c1 225701007 FBRQKDMFFWKCMR-VWLOTQADSA-N 416.590 6.392 0 40 HKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225745776 LKZSARKEWIKOOG-SQJMNOBHSA-N 418.622 5.644 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4cc(Cl)ccc4C)o3)N21 260756110 DJEHXVPBGXPVBV-XGRCMKMKSA-N 423.969 6.283 0 40 HKAB COc1ccc(-c2cc(C)nc(SCC(=O)Nc3cccc4ccccc34)n2)cc1 408528160 STWTZZCAQSSABH-UHFFFAOYSA-N 415.518 5.345 0 40 HKAB COc1cc(C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OCc1ccccc1 408626142 ZHHBLPSZSUNPNB-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(C)cc2)cc1 408696226 YBUXLTVIWQPLLY-UHFFFAOYSA-N 416.456 5.033 0 40 HKAB CCOc1cc(CNc2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 409110714 GCPKNZOOKDSEJB-UHFFFAOYSA-N 417.936 7.083 0 40 HKAB Fc1ccc(COc2ccc(CNc3ccc(Br)cc3)cc2Cl)cc1 409195564 QYSFFISLVHMQRL-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB Cc1ccc2cccc(OC(=O)c3cc(Br)ccc3Br)c2n1 682344 HQWOBQOHQHBSHK-UHFFFAOYSA-N 421.088 5.287 0 40 HKAB CC(C)(C)c1ccc(OCc2nnc(SCC(=O)c3ccc(F)cc3)o2)cc1 876023 XAGIJJVINDSUEJ-UHFFFAOYSA-N 400.475 5.060 0 40 HKAB Cc1cc(C)c2c(N)c(C(=O)N3N=C(c4cccs4)C[C@H]3c3ccco3)sc2n1 1016803 WYBPHKCJQZDRNV-AWEZNQCLSA-N 422.535 5.141 0 40 HKAB Cc1ccc(CN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C(=O)C2CCCCC2)cc1 1359613 NHHGPJKFNQBWFW-UHFFFAOYSA-N 416.565 5.562 0 40 HKAB Cc1ccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)N2CCCCC2)cc1 1791524 IPVSTGDGPLDECN-UHFFFAOYSA-N 404.535 5.602 0 40 HKAB O=C(Nc1ccc(F)cc1)c1cc(-c2cccc(Br)c2)nc2ccccc12 2085418 IGMOGCXFEKOKDH-UHFFFAOYSA-N 421.269 6.056 0 40 HKAB CCOc1ccc([C@@H](CCc2ccccc2)NC(=O)c2ccccc2F)cc1OCC 2127261 FZXZQKUQTZCLFS-HSZRJFAPSA-N 421.512 5.727 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br 2135334 ULBCISOTBVSJDX-UHFFFAOYSA-N 401.131 6.306 0 40 HKAB CCCCN(C)C(=O)CSc1nc(Nc2ccc(F)c(F)c2)c2ccccc2n1 2949038 GDQWQWUGHBXSKC-UHFFFAOYSA-N 416.497 5.002 0 40 HKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1c2c(nc3ccccc13)CCCC2 3272362 NHVZDDDSXGKAOO-HHHXNRCGSA-N 421.496 5.895 0 40 HKAB CCCCN(C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12)c1ccccc1 3337330 OFZLQFHESVJEDF-UHFFFAOYSA-N 411.501 6.215 0 40 HKAB O=C1CSC2=NC3=C(CCCC3=C3SCCCS3)[C@H](c3ccccc3)N12 3351246 MIMCESUVEPUWEP-SFHVURJKSA-N 400.594 5.192 0 40 HKAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)Nc1cccnc1Cl 3446641 KTXLJAQEGJKNCD-UHFFFAOYSA-N 412.927 5.138 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)CSc2cccc3ccc(C)nc23)cc1 3617026 OEFJQMKMDYYJPU-UHFFFAOYSA-N 408.523 5.231 0 40 HKAB S=C(NCc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl 4088140 IHOIEVYUJTWNTP-HXUWFJFHSA-N 416.377 5.275 0 40 HKAB Cc1ccc(-n2c(/C=C/c3ccc(OC(F)F)cc3)nc3ccccc3c2=O)cc1 4659502 YRLXJMKQHKRBGA-XNTDXEJSSA-N 404.416 5.466 0 40 HKAB Cc1sc2nc(C3CCCCC3)nc(SCC(=O)NC3CCCC3)c2c1C 4848092 QAVLZAQDSZWNAT-UHFFFAOYSA-N 403.617 5.507 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3nc(CNC4CCCCCCC4)[nH]c(=O)c23)C1 4901959 DDBRFNBAEOWAQD-HNNXBMFYSA-N 401.620 5.338 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC(=O)C2=C3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5481717 LINVVMHRTUSXHL-QGOSSIEWSA-N 400.647 6.712 0 40 HKAB biogenic CCc1ccccc1N[C@@H](CNS(=O)(=O)c1ccc(Cl)s1)c1ccccc1 5688733 YWXZRHRFZNZGMI-SFHVURJKSA-N 420.987 5.096 0 40 HKAB Cc1cc(OCC(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)ccc1Cl 6202794 YLIANKMLONEUAT-UHFFFAOYSA-N 406.869 5.152 0 40 HKAB Clc1ccccc1-c1noc(CSc2nnc(C3CC3)n2-c2ccccc2)n1 6976251 CLPDDJWIZHQHSW-UHFFFAOYSA-N 409.902 5.140 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 7158811 UJDCVEKKICRRPN-KNEUKCCGSA-N 408.542 5.205 0 40 HKAB CC(C)c1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)o1 7193633 HTWRVOCRIAPVOG-UHFFFAOYSA-N 417.918 5.156 0 40 HKAB C[C@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)NCc1cccs1 7298648 XYGLBRVRGSNNIB-ZDUSSCGKSA-N 411.577 5.217 0 40 HKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1c2c(nn1-c1ccccc1)CSC2 7392993 UWLRWXNEELEHLF-UHFFFAOYSA-N 411.530 5.467 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CCCOc3ccc(OC)cc3)ccc21 7504540 DVWXUSLRHVMRPM-UHFFFAOYSA-N 402.494 5.621 0 40 HKAB COc1ccc(CNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 7538450 OIZGKWIDPQCRLP-UHFFFAOYSA-N 402.321 5.871 0 40 HKAB CC(C)Oc1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)c3ccccc3n2)cc1 9345235 VNXHDSNBBPULBO-UHFFFAOYSA-N 424.331 7.134 0 40 HKAB COc1ccc(-n2nc3c(c2NC(=O)c2cc(Cl)cc(Cl)c2)CSC3)cc1 9363788 JJXDLVJVEOYBPF-UHFFFAOYSA-N 420.321 5.187 0 40 HKAB Cc1c(NS(=O)(=O)c2ccc(Cl)cc2)cccc1-c1nc2cccnc2s1 9403985 KAFKNAWMDGUQDQ-UHFFFAOYSA-N 415.927 5.121 0 40 HKAB CCc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 10333280 QOAAWKBFVQDHBY-IBGZPJMESA-N 400.522 5.311 0 40 HKAB COc1ccc(OCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 10371685 WSJDKPUPIDAQNG-UHFFFAOYSA-N 417.505 5.241 0 40 HKAB COc1ccc2cc(CNc3ccc(NC(C)=O)cc3C(F)(F)F)c(Cl)nc2c1 12634705 GDCZYEQXSARVKZ-UHFFFAOYSA-N 423.822 5.486 0 40 HKAB Cc1ccc(-c2cc(CNC(=O)c3c(-c4ccccc4Cl)noc3C)no2)cc1 12635936 MJXZNGYIYIJRJC-UHFFFAOYSA-N 407.857 5.197 0 40 HKAB O=C(CSc1nc(-c2cccc(Cl)c2)nc2ccc(F)cc12)Nc1ccccc1 12645680 HIXBVLZURQWXPF-UHFFFAOYSA-N 423.900 5.820 0 40 HKAB Clc1cccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2ccccc2)c1Cl 13284562 XJYQVPVFZIDDJH-UHFFFAOYSA-N 404.300 7.199 0 40 HKAB c1cncc(-c2nc(N3CCC[C@H]3c3ccc4c(c3)OCCCO4)c3ccccc3n2)c1 14123964 OHRFSFNBXLCMMX-QFIPXVFZSA-N 424.504 5.195 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3C)c2)cc1 15541101 MBEGHBPEYWBWQA-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Clc1ccc(COc2ccc3ccccc3c2CNC2CCCCC2)c(Cl)c1 16525855 URWOADWBSAJKPO-UHFFFAOYSA-N 414.376 7.148 0 40 HKAB C[C@@H]1CCCN(c2ccc3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3n2)C1 17245591 HHMHICNJVYYRKD-MRXNPFEDSA-N 409.917 5.142 0 40 HKAB CC(C)(C)CC(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19082649 PMFCCKRSCMYBIA-OAQYLSRUSA-N 415.541 5.382 0 40 HKAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccc3ccccc3c2)CC1 19880226 PAUAHWVBMVTHTR-UHFFFAOYSA-N 420.556 5.316 0 40 HKAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)C(c1ccccc1)c1ccccc1 20137067 QLRHOFGDPLZRLW-UHFFFAOYSA-N 413.473 5.218 0 40 HKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(C(=O)O)cc1 20151111 NVUCVGIZURWTPO-SOFGYWHQSA-N 402.233 5.604 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C)cc2Cl)cc1 20494440 FQHVZOZDUXROPN-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1ccc(CN2COc3ccc4c(-c5ccc(C)cc5)cc(=O)oc4c3C2)cc1 20933998 XEYQUKYZQMMERC-UHFFFAOYSA-N 413.473 5.129 0 40 HKAB COc1ccc2cc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)c(C)nc2c1 21913595 SBZZLWQTSOWDGR-UHFFFAOYSA-N 417.534 5.181 0 40 HKAB Cc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O 27792695 SWMSFVRYIREHDY-LJQANCHMSA-N 415.924 5.567 0 40 HKAB COc1cc(OC)c(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1Cl 28701338 RMGKBETYYYIZAI-UHFFFAOYSA-N 419.868 5.220 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 44900056 IYJRJEDDLIAPHD-KAYWLYCHSA-N 409.529 6.211 0 40 HKAB COc1ccc(C[C@@H](c2nc3ccccc3[nH]2)c2nc(-c3ccccc3)cs2)cc1 57523627 KOXAFLXELIJLTO-FQEVSTJZSA-N 411.530 6.070 0 40 HKAB Cc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 67294597 CZGUJVXEZFGSMM-VYIQYICTSA-N 423.299 6.533 0 40 HKAB CC[C@H](O)C[C@@H](O)CC[C@@H]1[C@H]2C(=C[C@H](C)C[C@@H]2OC(=O)C(C)(C)CC)C=C[C@@H]1C 67665398 DUYNPSLBGDLWAQ-WWUWEVONSA-N 406.607 5.041 0 40 HKAB in-vitro Cc1cc(Cc2c(F)cccc2F)cc(C2CCN(C(=O)[C@@H]3CC34CCC4)CC2)n1 72374083 OYFQSJUGHRBMSG-FQEVSTJZSA-N 410.508 5.155 0 40 HKAB CC(=O)c1c(C)cc(C)c(CNc2cc(C(=O)N3CCCCC3)ccc2Cl)c1C 78921329 VVVXBPZFUULPTA-UHFFFAOYSA-N 412.961 5.706 0 40 HKAB Cc1ccccc1-c1noc(-c2cn(-c3cccc(Cl)c3)c(=O)c3ccccc23)n1 96324410 DTKQZCRDBUTTOX-UHFFFAOYSA-N 413.864 5.670 0 40 HKAB Cc1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)c1Cl 96602185 GRVSXOJZBXGANM-OAQYLSRUSA-N 422.912 5.125 0 40 HKAB Cn1c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c(Cl)c2ccccc21 96999245 DWJIFXUYYZWWHB-AWEZNQCLSA-N 419.308 5.295 0 40 HKAB Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3Cl)C[C@@H]2c2ccccc2)cc1 97104910 ZATAWRVGESORRM-JOCHJYFZSA-N 410.926 5.188 0 40 HKAB CC(C)C(=O)N1c2ccccc2N=C2C[C@@H](C)CC(O)=C2[C@@H]1c1cc(F)cc(F)c1 102585951 UPZMSKWKRYAILL-FATZIPQQSA-N 410.464 6.023 0 40 HKAB COc1ccc(-c2c(C)nn3c(O)cc(CSc4ccc(C)cc4)nc23)cc1OC 102726073 YIZGPJWKYLYEJH-UHFFFAOYSA-N 421.522 5.028 0 40 HKAB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1C 214770699 RODCXRXHMWVVLW-RQZCQDPDSA-N 408.306 5.547 0 40 HKAB CC[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(OC)cc1 219845631 ABURQKIGLQTVGZ-HSZRJFAPSA-N 409.913 5.809 0 40 HKAB CCCCOCc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1OC 224437588 IFQPZQYLQFYGCB-UHFFFAOYSA-N 416.732 6.224 0 40 HKAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)c1ccc2c(c1)CCCC2 225635848 XDTZXEONFJZARB-UHFFFAOYSA-N 403.526 5.185 0 40 HKAB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C(=O)OCC 225798427 YWCSAPYYWYGRFE-UHFFFAOYSA-N 421.578 5.458 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](C(=O)O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253609156 CGHGJNRXRSZLJH-LOTJMELFSA-N 414.674 7.729 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 408674562 ADKPCXJIJCISNF-UHFFFAOYSA-N 412.489 5.560 0 40 HKAB N=C1S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1ccc2c(c1)OCO2 408978856 NSMWWBNFJMCYSV-OZYICTPTSA-N 424.865 5.384 0 40 HKAB COc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1 409115601 MXUJQXZAFRUJOT-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB Cc1ccc(NCc2ccc(OCc3ccc(Br)cc3)cc2)cc1Cl 409119581 SFONDQYCXXGDJE-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1ccccc1F 409275468 VCCJFGKIHAGYOV-UHFFFAOYSA-N 407.392 5.032 0 40 HKAB CCCN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)OCC)c3)o2)C1=O 409357498 IOTNJXQVOKWQBC-GZTJUZNOSA-N 419.886 5.223 0 40 HKAB O=c1oc2cc(O)ccc2cc1-c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 846072 JREAHNRUOIDLPA-UHFFFAOYSA-N 413.454 6.081 0 40 HKAB O=C(Nc1[nH]nc(-c2ccc(Cl)cc2)c1Br)c1ccc(Cl)cc1 904428 AAVQNBNOVBQGRP-UHFFFAOYSA-N 411.086 5.398 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc1C 997298 LNEKKHQYOLKNGX-UHFFFAOYSA-N 408.885 5.227 0 40 HKAB Cc1ccc(C(=O)N2CCc3cc(-c4csc(NC(=O)C5CCC5)n4)ccc32)cc1 1355752 WCLCZCHKTWULEH-UHFFFAOYSA-N 417.534 5.060 0 40 HKAB O=C1OC(c2ccccc2F)=N/C1=C\c1cccc(OCc2ccccc2Cl)c1 2084016 BBAFMWPUMOTDEF-BKUYFWCQSA-N 407.828 5.403 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1 2188948 LLXYWZLDOOQLHL-UHFFFAOYSA-N 406.338 6.062 0 40 HKAB CC(C)Cc1nc2sc3c(NCCc4ccccc4)ncnc3c2c2c1CCC2 2220148 JLNSBICCEVXXLG-UHFFFAOYSA-N 402.567 5.581 0 40 HKAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CNCCc1ccc(Cl)cc1Cl 2624223 DGKDLJCTMUKITD-IBGZPJMESA-N 410.385 5.171 0 40 HKAB COc1ccccc1NC(=O)Nc1nc(-c2ccc(C)cc2)c(-c2ccc(C)cc2)o1 2640226 KNBASMQQVDXISF-UHFFFAOYSA-N 413.477 6.278 0 40 HKAB Cc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)cc1 2714344 RHUYQARWVDQHGV-UHFFFAOYSA-N 404.517 6.316 0 40 HKAB O=C(Nc1cccc(Cl)c1)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 3185696 SDWYWTXGPNCKPO-FUUAZDAISA-N 402.881 5.306 0 40 HKAB CSc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 4033616 HGAYIYDMHUEUFI-IBGZPJMESA-N 413.546 5.327 0 40 HKAB CC[C@@]1(C)C[C@@](CCN(Cc2ccccc2)C(C)=O)(c2ccccc2OC)CCO1 4811436 MQQLQGMWZQZRPZ-UIOOFZCWSA-N 409.570 5.351 0 40 HKAB CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1c(Cl)cccc1Cl 5033055 PRUWMCDBKSNGLJ-AFMDSPMNSA-N 416.285 5.471 0 40 HKAB COc1cccc2sc(N(Cc3cccnc3)C(=O)/C=C/c3cccs3)nc12 5142122 QMBFIFJZHJQDMO-MDZDMXLPSA-N 407.520 5.008 0 40 HKAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1nc(-c3ccc(C(C)(C)C)cc3)nc21 5156554 VNSBZWVTZCVZKQ-UHFFFAOYSA-N 416.916 5.390 0 40 HKAB COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2cccc(Cl)c2)cc1O 5163669 SJPFVXDWTKDLOD-UHFFFAOYSA-N 406.869 5.690 0 40 HKAB O=C(CSc1cccc2cccc(Cl)c12)OCc1nnc(-c2ccccc2)o1 5468541 HVHRKEDSVDKKDG-UHFFFAOYSA-N 410.882 5.379 0 40 HKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2Cl)cc1 5477577 RXNPKXKAMUCONZ-UHFFFAOYSA-N 405.288 6.251 0 40 HKAB CC(C)(C)P(=NC(=S)N1CCCC1)(N1CCCCCC1)N1CCCCCC1 5496374 SDFJKHZFZSDINB-UHFFFAOYSA-N 412.628 5.949 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3)c2C(N)=O)C1 5901916 MDCZSNWWNUOIQA-JBNJFFQFSA-N 416.974 5.303 0 40 HKAB CCOc1ncccc1C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 5996884 QHQYAQBKARCJEJ-UHFFFAOYSA-N 418.522 5.216 0 40 HKAB Cc1nnc(SCC(=O)Nc2ccccc2Oc2ccccc2)n1-c1ccccc1 6334968 XLLXKLJVAQONHW-UHFFFAOYSA-N 416.506 5.099 0 40 HKAB CCN(C(=O)c1ccc(CSc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 6550093 XGMQTIXTWJIEPN-UHFFFAOYSA-N 405.607 6.410 0 40 HKAB Cc1ccc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc1NC(=O)c1ccco1 6879684 QQEYFPRCLNAGGL-UHFFFAOYSA-N 417.490 5.140 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(OCc2ccccc2Cl)cc1 7699662 GICUCFODDXNOGX-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB CC(=O)N(c1ccccc1)c1nc(CN(Cc2ccc(C(C)C)cc2)C2CC2)cs1 7797881 XUXVUMSPTDXASK-UHFFFAOYSA-N 419.594 6.116 0 40 HKAB CN(Cc1cccc(Cl)c1)Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 7900915 LWRJAADQIUPAGK-UHFFFAOYSA-N 413.905 5.076 0 40 HKAB Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CC=C(c5ccccc5)CC4)cc3)o2)cc1 8132109 FVSVNLQDWPUYDK-UHFFFAOYSA-N 421.500 5.642 0 40 HKAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCCc4ccccc43)cc12 8132131 NVSPJHPOQJBIGV-UHFFFAOYSA-N 405.498 5.187 0 40 HKAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(OCc2cscn2)cc1 8193402 PGWALXAKFPIGIR-UHFFFAOYSA-N 407.539 5.355 0 40 HKAB CCOc1cc(CNC(C)(C)C)cc(Br)c1OCc1ccccc1F 8254128 FLUIGUIGZSSRLI-UHFFFAOYSA-N 410.327 5.454 0 40 HKAB CC(C)CCN1C(=O)CCc2cc(NC(=O)c3cccc(Br)c3)ccc21 9164776 RGPLMYLPDQAFBT-UHFFFAOYSA-N 415.331 5.027 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Br)cc2)s1 9165567 MLTAICCNHBMAHN-UHFFFAOYSA-N 409.696 5.265 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2OC)cc1Cl 10119479 LKCFETPVINLRKI-UHFFFAOYSA-N 423.856 5.203 0 40 HKAB CCN1C(=O)c2cccc3c(NC(=O)CCCSCc4ccccc4)ccc1c23 10616614 IPBQIBWRQJIJHM-UHFFFAOYSA-N 404.535 5.472 0 40 HKAB CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Cl)cc1C)C(C)(C)N2 12412262 XRTZOICOIQEGIO-ATJXCDBQSA-N 416.999 6.730 0 40 HKAB O=C(Nc1ccc(SC(F)F)cc1)c1nccnc1-c1nc2ccccc2s1 12798924 BXVHYERAHOVBJE-UHFFFAOYSA-N 414.462 5.320 0 40 HKAB O=C1CCCN1c1cccc(Oc2ncnc3scc(-c4ccc(F)cc4)c23)c1 12895268 QZOGMEHMJLJSKO-UHFFFAOYSA-N 405.454 5.417 0 40 HKAB O=C1C[C@H](c2ccc(C(F)(F)F)cc2)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15107128 BNIHDJJMIBYPSI-CQSZACIVSA-N 417.408 5.606 0 40 HKAB CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(Cl)cc3C)cc2s1 17091257 HTPRSYOYWCKSKV-UHFFFAOYSA-N 417.918 5.014 0 40 HKAB C[C@H](OC(=O)c1cc2sc3ccccc3c2s1)C(=O)Nc1c(F)cccc1F 18656133 DYXBPSSOCSWKDR-JTQLQIEISA-N 417.458 5.578 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc3ccccc23)cc1 20492626 HSUFCJUSVHZPBU-JOCHJYFZSA-N 405.494 5.593 0 40 HKAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)[C@@]1(C)CC1(Cl)Cl 21925375 MQMVRNOCIURROY-MRXNPFEDSA-N 417.130 5.251 0 40 HKAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(OCc2cccs2)cc1 22111340 YNORURAUHCNBMH-UHFFFAOYSA-N 424.551 5.000 0 40 HKAB COc1ccc2cc(C(=O)Nc3ccc(OC)c(OC4CCCC4)c3)c(C)nc2c1 24507674 PPNILTFQNMQFQG-UHFFFAOYSA-N 406.482 5.134 0 40 HKAB C[C@H](NC(=O)CN1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccccc1 24993532 DTOJMBZUCVYXGI-HNNXBMFYSA-N 413.974 5.007 0 40 HKAB CC[C@@H](C)c1ccc(Cn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1 28048252 MMTUNOBAFRYHAS-GOSISDBHSA-N 401.510 5.463 0 40 HKAB CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCCC2)cc1 28293430 VDYCJCYDQUIJRP-VWLOTQADSA-N 422.613 5.728 0 40 HKAB Cc1nc2cc(NC(=O)c3cc(-c4cccs4)nc4c3cnn4C(C)C)ccc2o1 32865217 NGEVBMDISQGONI-UHFFFAOYSA-N 417.494 5.443 0 40 HKAB COc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 33631537 CEYIYYSUBZOROB-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 33704318 HVJURQUCUSTZFO-UHFFFAOYSA-N 421.566 5.536 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@H](O)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 35033190 YIGWOKYLCVPSEG-JEDGHXOGSA-N 404.679 6.439 0 40 HKAB Cc1ccc(-c2nc(N3CCCCC3)sc2C(=O)Nc2cc(C)cc(C)c2)cc1 36293476 SCLZWQMMVQXEEF-UHFFFAOYSA-N 405.567 5.978 0 40 HKAB CC[C@H](CO)NCc1cc(OC)c(OCc2ccc(Cl)cc2Cl)cc1Cl 36612289 QWLHIGLOFCMZQQ-OAHLLOKOSA-N 418.748 5.095 0 40 HKAB COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2cc(-c3ccc(F)cc3)nn12 36615716 YGKXETGWKQZSQZ-UHFFFAOYSA-N 416.239 5.296 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCCN(C(=O)c2cccs2)C1 40058706 VZNQHFOSYNWZPM-KRWDZBQOSA-N 406.507 5.031 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c(C)c1 44934955 YJJTXJIECFNJQR-QGZVFWFLSA-N 402.941 5.185 0 40 HKAB COc1ccc(C(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c2ccc(OC)cc2)cc1 48331746 RZECPXWSLABXJI-ROUUACIJSA-N 421.459 5.278 0 40 HKAB Cc1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2Cc1ccc(F)cc1 57720377 UMZZPRCZISHRTO-UHFFFAOYSA-N 421.472 5.096 0 40 HKAB Fc1ccc(-c2noc([C@@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3)n2)cc1 60343304 XDVMUDPZAQHHCQ-MRXNPFEDSA-N 405.395 5.274 0 40 HKAB C[C@@H](Sc1nnc(C(C)(C)C)o1)C(=O)N1c2ccccc2Sc2ccccc21 83927603 CLGGXXPJFIBYNQ-CYBMUJFWSA-N 411.552 5.677 0 40 HKAB O=C(Nc1nnc(-c2ccsc2)s1)c1ccc(C2SCCCS2)cc1 84393676 JGKKJQMUMIYVJO-UHFFFAOYSA-N 405.595 5.388 0 40 HKAB FC(F)(F)[C@H]1CCCN(Cc2ccc(CN3CCC[C@H](C(F)(F)F)C3)cc2)C1 84398264 JFVWSYMWJMWJKR-ROUUACIJSA-N 408.430 5.235 0 40 HKAB CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]([C@]3(C)CCC(=O)O3)CC[C@]21C 96023844 AHDUWGQSZYSNEY-BWNRNTQFSA-N 416.646 6.128 0 40 HKAB biogenic Cc1c(-c2nnc3sc(-c4cccc(Br)c4)nn23)oc2ccccc12 96194113 DMTOQTQFXVCRBJ-UHFFFAOYSA-N 411.284 5.337 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@@H](c4ccccc4Cl)C3=C(O)C2)cc1 102580433 LDPJLRYJLMAJGF-SZNDQCEHSA-N 406.873 5.005 0 40 HKAB COc1ccc([C@H]2C3=C(O)C[C@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc1 102728089 JNYPVTWPHZPOGB-OPAMFIHVSA-N 402.450 5.305 0 40 HKAB Cc1ccc([C@@H]2C[C@@H]2c2nc3c4c5c(sc4ncn3n2)C[C@@H](C(C)(C)C)CC5)cc1 103153466 YYJZSGGIAMLBNS-WDSOQIARSA-N 416.594 6.070 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118918966 HONOKMUVEQPOAM-RPWQORLESA-N 412.614 6.256 0 40 HKAB biogenic CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118935381 WHZUCKVXGABTPN-ZLPMDMCDSA-N 413.734 7.958 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)NCCSc1ccc(Cl)cc1 222683132 RTWZSUWFZQKJJH-UHFFFAOYSA-N 400.396 5.774 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4cccc(Cl)c4C)o3)N21 222714190 VQNNUKFXRYRTJM-UJUVCNOISA-N 423.969 6.283 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1C1CCCCC1 223082046 DAJCWOSVQDGLGR-IAGOWNOFSA-N 422.417 5.211 0 40 HKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223095398 YGRJUSSXVRYQEJ-KRWDZBQOSA-N 401.919 5.271 0 40 HKAB Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 223113845 FWVPCIHKSWQEJF-DHIUTWEWSA-N 421.541 5.786 0 40 HKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 224395362 IGRCNJIKCBPABX-VXKWHMMOSA-N 406.530 5.314 0 40 HKAB COc1cc(C)c(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)cc1C 224487153 YXQZQBUEPLSIKP-UHFFFAOYSA-N 413.564 5.405 0 40 HKAB Cc1cccc(C2(C(=O)Nc3cc(C)c(OCc4ccccc4)c(C)c3)CCCC2)c1 225511444 BCCCNDYKCAFRCS-UHFFFAOYSA-N 413.561 6.641 0 40 HKAB CC1CCN(CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)CC1 225515791 HTHVZSUOTHUFEO-UHFFFAOYSA-N 424.560 5.387 0 40 HKAB CCOC(=O)c1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1C 225679260 AGTAKJUKDNYKBT-IBGZPJMESA-N 412.555 5.069 0 40 HKAB Cc1c(I)cccc1-c1nc2cc(-n3cccc3)cc(C)c2o1 226248404 NEYWSLRWGNEABB-UHFFFAOYSA-N 414.246 5.507 0 40 HKAB Clc1ccc(S[C@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@H]3Br)cc1 257353558 RUXRATSOLYSMAL-UDTPNQRGSA-N 408.792 5.469 0 40 HKAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1C 408598390 ZRWPCNWDYJXDCD-UHFFFAOYSA-N 408.523 5.322 0 40 HKAB CC(C)COc1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 408621980 OEEPIPYBFKNHHO-UHFFFAOYSA-N 402.519 6.250 0 40 HKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1 408675320 HLMDIDHDJGUTDI-UHFFFAOYSA-N 423.299 6.043 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccccc2)cc1C 408693980 GLDULGIGZCFNLM-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(F)cc2)c1C 408697864 MANMKBIWDZAQRB-UHFFFAOYSA-N 404.420 5.082 0 40 HKAB COc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)c1 408700122 YXYSKCJPAFHZSF-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB O=C(Nc1ccccc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408703159 DURWZFHPOHFRSY-QHCPKHFHSA-N 422.937 5.367 0 40 HKAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1 409003051 QYJQDWUBGJLRFX-QHCPKHFHSA-N 416.521 5.428 0 40 HKAB Cc1sc(Nc2cc(Cl)cc(Cl)c2)nc1-c1ccc(Br)cc1 409046790 MDECWUWDQIWPEV-UHFFFAOYSA-N 414.155 6.931 0 40 HKAB Cc1ccc(CNC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@@H](c2ccccc2)N3)cc1 409171567 DRGXBSZDVSNYEH-YUVBVNQKSA-N 422.572 6.222 0 40 HKAB CC1=C(C(=O)OC2CCCCCCC2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 716315 QYKCFJREEHPXAM-GOSISDBHSA-N 411.329 5.277 0 40 HKAB Nc1c(C(=O)c2ccc(Br)cc2)sc2nc(-c3ccccc3)ccc12 832752 PNYZUGHAVOKQTI-UHFFFAOYSA-N 409.308 5.539 0 40 HKAB Cc1cccc2cc(CN(Cc3cccs3)C(=S)Nc3ccccc3)c(=O)[nH]c12 884504 DGQVHYXHALCJEG-UHFFFAOYSA-N 419.575 5.297 0 40 HKAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C)cc1 1380193 LEXYRSPHVFVEEU-XMMPIXPASA-N 416.521 5.343 0 40 HKAB CCCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3ccc(C)cc23)cc1 1777782 YWVVRPHRYYIVSQ-UHFFFAOYSA-N 406.482 5.420 0 40 HKAB Cc1ccc2c(c1)[C@@](C)(c1ccc(Cl)cc1)CC(C)(C)N2C(=O)c1cccc(F)c1 2063136 VNYWIAAHVVNUST-AREMUKBSSA-N 421.943 6.923 0 40 HKAB CC[C@@H](COC(=O)Nc1ccc(C)cc1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1 2197004 VYWITLFLFCGMMF-ICSRJNTNSA-N 418.946 5.250 0 40 HKAB Cc1cc(C)cc(NC(=O)c2c(N)n(-c3cccc(C)c3)c3nc4ccccc4nc23)c1 2269137 MBFYLGTWVFWPHK-UHFFFAOYSA-N 421.504 5.333 0 40 HKAB CCCCN(CCCC)C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 2689980 WQTGUMAIQDDDSG-IBGZPJMESA-N 421.412 6.364 0 40 HKAB O=C(CNc1ccc(F)cc1)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1 2887677 FNGPMLLTEWVTCD-UHFFFAOYSA-N 410.301 5.230 0 40 HKAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(C(C)(C)C)cc2)CSC3)c1C 3008328 JVULCBFABXWWRN-UHFFFAOYSA-N 405.567 5.786 0 40 HKAB COc1ccc(SCc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1 3133627 FPYOVLQKLRGNSK-UHFFFAOYSA-N 408.906 6.618 0 40 HKAB O=S(=O)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)oc1N1CCCCCC1 3215864 HHGZCXWGJHSWGB-UHFFFAOYSA-N 416.930 5.208 0 40 HKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)cc1 4424539 UMSSNKHYDZHKPX-AREMUKBSSA-N 423.560 5.531 0 40 HKAB CCCCCCC1CCC(C(=O)N[C@H](C(=O)NCCc2ccccc2)C(C)C)CC1 4872849 OJUSNQXWHZFEHJ-VHYCJAOWSA-N 414.634 5.263 0 40 HKAB O=C(CSC1=NC2(CCCC2)N=C1c1ccc(Cl)cc1)Nc1ccc(F)cc1 4890777 BYYMHDMZJCKHKD-UHFFFAOYSA-N 415.921 5.323 0 40 HKAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc5ccccc5c4)c3)nn12 5002213 JYDZWRCYRAHQPE-UHFFFAOYSA-N 413.506 5.129 0 40 HKAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)C1(c3ccc(Cl)cc3)CCCC1)CC2 5388624 RQESXLBNEZZIJN-INIZCTEOSA-N 413.945 5.315 0 40 HKAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1cccc(Cl)c1)CCC3 5548373 VRUCUWVDVQNSAW-UHFFFAOYSA-N 410.941 6.637 0 40 HKAB Cc1nc2c(-c3ccccc3)c(C)nn2c(NC2CCCCC2)c1Cc1ccccc1 5553149 VFIPGYOGJGODAH-UHFFFAOYSA-N 410.565 6.349 0 40 HKAB O=Cc1cc(Br)c(OCc2cccc(Cl)c2)c(Br)c1 5713978 ZAVPDOWHKHLJCH-UHFFFAOYSA-N 404.485 5.257 0 40 HKAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nc(C)nc3sc(C)c(C)c23)c1C 5822789 HEFBWFFNOXSZAN-LBPRGKRZSA-N 417.600 5.217 0 40 HKAB COc1cccc(-c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)c1 5918670 XZZOMYYOCLLFJB-UHFFFAOYSA-N 412.533 5.609 0 40 HKAB O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1ccccc1Cc1ccccc1 5977533 GIHHTJQFQHXEOW-UHFFFAOYSA-N 413.395 5.092 0 40 HKAB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 6307869 KNODOYQOPWPSHO-WQRHYEAKSA-N 413.876 5.480 0 40 HKAB COc1ccc(OCc2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1 7236180 NTLUWHAOGLJYHF-UHFFFAOYSA-N 410.326 5.002 0 40 HKAB C[C@H](NCc1ccc(-c2ccc(Br)cc2)o1)C12CC3CC(CC(C3)C1)C2 7524878 BIKWCARCGXVWJS-SCUMNGBJSA-N 414.387 6.404 0 40 HKAB Cc1c(Cl)c(CSc2nnc(-c3ccncc3)n2C2CC2)nc2ccccc12 7617125 NLIYHLFFRPPVNW-UHFFFAOYSA-N 407.930 5.477 0 40 HKAB Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(F)cc2)cc1Cl 8476998 MYMGIZYGQKLKLC-UHFFFAOYSA-N 412.896 5.098 0 40 HKAB O=C(O)c1cc(-c2ccc(-c3ccccc3C(F)(F)F)o2)nc2ccc(Cl)cc12 8717643 ACQYAXNSHLDAJG-UHFFFAOYSA-N 417.770 6.532 0 40 HKAB CN1CCN(c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)CC1 9159138 XWMSUDQLDIMXDA-UHFFFAOYSA-N 420.365 5.212 0 40 HKAB Cc1nn2c(O)cc(CSc3ccc(Cl)cc3)nc2c1-c1ccc(Cl)cc1 9427124 GBTYPGVCRHHBMT-UHFFFAOYSA-N 416.333 6.009 0 40 HKAB Fc1cccc(-c2nnc([C@H](Nc3ccc(Cl)cc3)c3ccc(Cl)cc3)o2)c1 9606510 CCJJSRCDFAKWJI-LJQANCHMSA-N 414.267 6.384 0 40 HKAB Cc1ccc(-c2ccc(CCC(=O)Nc3ncc(Cc4ccc(F)cc4)s3)o2)cc1 11690426 HNKZZMFPMVNLQJ-UHFFFAOYSA-N 420.509 6.013 0 40 HKAB CC(C)c1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)C3CCCC3)cc2)n1 12220519 UZNLPQVYHMCRRD-UHFFFAOYSA-N 400.526 5.135 0 40 HKAB CCCCn1c(SCc2nc(-c3ccccc3)oc2C)nc2ccccc2c1=O 12470903 MTLYMUXIBLEMCC-UHFFFAOYSA-N 405.523 5.452 0 40 HKAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 12582122 CJXLAZCJVZXDAK-BSRJHKFKSA-N 423.553 5.274 0 40 HKAB O=C(Nc1nc(CN2CCCCCC2)cs1)c1ccccc1C(=O)c1ccccc1 12773750 DNDJUJCCFIQMNY-UHFFFAOYSA-N 419.550 5.002 0 40 HKAB CC(C)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2N=CNC2=N3)cc1 13213822 LHYMXWLJPVVZKC-RPBOFIJWSA-N 421.504 5.009 0 40 HKAB Clc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccc3c(c2)OCO3)cc1 13282014 QEGVKXJUFRFIDX-UHFFFAOYSA-N 414.852 5.077 0 40 HKAB CC[C@@H]1[C@@H](c2ccccc2)O[C@@](O)(c2ccccc2)[C@H](CC)[C@]1(O)c1ccccc1 13409732 RESUPJVANKPOGK-XCRFIODOSA-N 402.534 5.543 0 40 HKAB CC[C@H](C(=O)NCCCCCCNC(=O)[C@H](CC)c1ccccc1)c1ccccc1 13576879 ZOLXMMVJBCMZED-PSWAGMNNSA-N 408.586 5.167 0 40 HKAB Cc1ccc(-c2nn(-c3cccc(Cl)c3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C 13960785 OZFAYQZYSBZFOI-UHFFFAOYSA-N 421.371 7.747 0 40 HKAB O=C1C[C@@H](c2cccc(Cl)c2)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15081495 JPBFGVNNBZURPG-AWEZNQCLSA-N 401.846 5.380 0 40 HKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(F)cc4)cc3n2)cc1 16193180 ZCCJVGGCAJYQGZ-UHFFFAOYSA-N 422.891 5.808 0 40 HKAB Cc1ccc(NC(=O)NC[C@H]2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1 16293088 ITFQPGCPEKCPMO-PMACEKPBSA-N 408.546 5.053 0 40 HKAB Cc1cc(C)c2nc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)sc2c1 16346836 OIZVJWXYWGVYNT-VQHVLOKHSA-N 422.937 6.787 0 40 HKAB CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)c1 16610471 YCSPLZLNENJZOJ-LLVKDONJSA-N 419.959 5.254 0 40 HKAB C[C@H]1CCCCN1c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 17087628 RJQXEDHGUKIIPC-LSDHHAIUSA-N 407.341 5.778 0 40 HKAB OCCn1c(-c2ccc(C3CCCCC3)cc2)cs/c1=N\c1cccc(Cl)c1 17206684 HUCUPAPOPKTXKP-BZZOAKBMSA-N 412.986 6.142 0 40 HKAB Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@H]2CCCN2Cc2ncc[nH]2)n1 19692055 HYLRFEWIQODEDM-HXUWFJFHSA-N 400.448 5.060 0 40 HKAB Cc1ccc2c(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cc(=O)oc2c1 20412445 FOFGTZXGVUBESO-UHFFFAOYSA-N 424.544 5.009 0 40 HKAB biogenic CCOC(=O)C1=C(C)Nc2c(-c3ccc(Cl)cc3)c(C)nn2[C@H]1c1ccc(C)cc1 20674245 IJAHBAFDCSUMKG-QFIPXVFZSA-N 421.928 5.672 0 40 HKAB Cc1cc(C(=O)Nc2ccc(N3CCCn4c(nc5ccccc54)C3)cc2)sc1C 20719408 UDQMRWDPKHLAIU-UHFFFAOYSA-N 416.550 5.377 0 40 HKAB CCOc1cc(CNc2cc(C(=O)O)ccc2Cl)ccc1OCc1ccccc1 20880454 PAPPMKISQIMGQA-UHFFFAOYSA-N 411.885 5.628 0 40 HKAB Cn1cccc1[C@@H]1CCCN1Cc1nc(O)c2sc(-c3ccc(Cl)cc3)cc2n1 25045554 AXDMDWYJCYAPRK-SFHVURJKSA-N 424.957 5.393 0 40 HKAB Cc1ccc(-c2csc(SC[C@@H]3CSc4nnc(-c5ccncc5)n43)n2)cc1 26014544 FIZZGODUORJKKQ-INIZCTEOSA-N 423.592 5.211 0 40 HKAB Cc1ccc(-n2nc3ccc(NC(=O)c4sc5ccccc5c4Cl)cc3n2)cc1 26124029 CBPABQVISUCISR-UHFFFAOYSA-N 418.909 5.849 0 40 HKAB CC(C)(C)c1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)c2ccccn2)cc1 27990040 PYQSAGOETQKJCJ-UHFFFAOYSA-N 412.489 5.333 0 40 HKAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 30315110 BELYSMSSEAEQDX-AWEZNQCLSA-N 403.309 5.801 0 40 HKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)C1 30941454 PIYOGOXOFGYONG-HXUWFJFHSA-N 400.522 5.963 0 40 HKAB CCCCOc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)c2cccnc12 32622582 VQSCTAYGHWRDEU-UHFFFAOYSA-N 401.466 5.629 0 40 HKAB CCOc1cc(C(=S)N2CCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 33733860 KOBYNPDZPAOQSW-UHFFFAOYSA-N 410.366 5.742 0 40 HKAB O[C@H](c1cccnc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 35181238 VIEMGGHGQMQTSM-HHHXNRCGSA-N 417.512 5.200 0 40 HKAB COc1ccc(Cl)cc1Nc1ccnc2c1cnn2-c1ccc(Cl)c(Cl)c1 35681989 YFLIDCRIJBSJNM-UHFFFAOYSA-N 419.699 6.133 0 40 HKAB CC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1)c1ccc(C)cc1 36616710 OXFJQSBVDHHWDB-HSZRJFAPSA-N 424.548 5.796 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 38756453 QIOJRRFARSJFBR-AREMUKBSSA-N 411.501 6.215 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](C)Nc1cccc(NC(=O)Nc2ccccc2)c1 40062404 SNQCBCDZHYJNGS-QGZVFWFLSA-N 418.497 5.168 0 40 HKAB O=C(Nc1ccc2nc(-c3ccc(F)cc3)oc2c1)c1ccccc1Br 41086000 NTNREVFWOCZZHK-UHFFFAOYSA-N 411.230 5.649 0 40 HKAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(Cc1ccc(F)cc1)CO2 54278189 CRZNNUUBEPSYDC-UHFFFAOYSA-N 401.437 5.260 0 40 HKAB biogenic Cc1cc(C)n(-c2nc3c(Cl)cc(Br)c(C(F)(F)F)c3s2)n1 57327640 RMZUACWESZGYPM-UHFFFAOYSA-N 410.646 5.534 0 40 HKAB C[C@H]1CN(c2ccccc2NC(=O)N[C@@H](c2cccs2)C(C)(C)C)C[C@@H](C)O1 69458925 AMOXPNGDDDEVGE-YRNRMSPPSA-N 401.576 5.271 0 40 HKAB CC(C)CN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215705 RNRWWRZIBNYKTO-QFIPXVFZSA-N 415.622 6.339 0 40 HKAB O=C(Nc1ccc(CNc2ccccc2)cc1)c1cccc(OC[C@H]2CCCO2)c1 78994887 RXQXAPHHYYHGHZ-XMMPIXPASA-N 402.494 5.109 0 40 HKAB Cc1ccccc1CNc1ccccc1NC(=O)c1csc(-c2ccccn2)n1 97050158 MUENZXGAUUELFH-UHFFFAOYSA-N 400.507 5.378 0 40 HKAB CCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(OCCC)cc3)cc2)CC1 100003838 KYLIOTOFNDEVBC-SZPZYZBQSA-N 408.582 7.549 0 40 HKAB COC(=O)c1ccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3onc(C)c32)cc1 102716800 BIVOGBXJSZWKPB-AVRDEDQJSA-N 414.461 5.377 0 40 HKAB Cc1ccc([C@H](C)NC(=O)COc2ccc3ccccc3c2Br)cc1C 218907409 AFCWTQMTQHUYQL-INIZCTEOSA-N 412.327 5.475 0 40 HKAB CC1(C)C[C@H](NC(=O)c2cccc(OCc3ccccc3Cl)c2)c2ccccc2O1 219844584 TZUVMHQOLVCPJT-QFIPXVFZSA-N 421.924 5.951 0 40 HKAB CCc1ccc(O[C@@H](CC)C(=O)NCCSCc2c(F)cccc2Cl)cc1 222880176 LWOXNEHZOCUEGQ-FQEVSTJZSA-N 409.954 5.249 0 40 HKAB CC[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc2c(c1)CCCC2 223024035 IYTZUQYXNQTYND-NRFANRHFSA-N 405.966 5.859 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 223303303 KIQSPYJZBVSUJB-VXKWHMMOSA-N 411.542 5.008 0 40 HKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)cc1 224328480 BXFDONQDSCLSBS-DNQXCXABSA-N 416.594 5.574 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1cccc(C)c1 224384063 RFTGGVIDVWTPJX-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCOCc1cc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1OCC 224700184 OXKKLRSFJYRMJL-UHFFFAOYSA-N 407.535 6.025 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(CSc2ccccc2)cc1 225348659 KSFXCPYLCHEAPP-UHFFFAOYSA-N 416.373 6.857 0 40 HKAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c1 225699291 RGLVJSNRSIBQOF-QFIPXVFZSA-N 404.535 5.166 0 40 HKAB COc1cc(C(=S)NCc2cccc(C)c2)cc(Cl)c1OCc1ccccc1 408572727 HYBWIHMYBDNMHH-UHFFFAOYSA-N 411.954 5.701 0 40 HKAB CCCOc1ccccc1/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O 408601893 LZEBLWPXLDRZGI-WOJGMQOQSA-N 422.333 6.019 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2cccc(C)c2C)cc1 408697065 GWQYFJCPHOOPSI-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(C)c(C)c3)s2)cc1 408829816 XLUAVQFIENVNIS-UHFFFAOYSA-N 414.530 6.355 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1Cl 409016698 VLOQRJKHLWFKKA-DKNZLLBESA-N 415.942 6.062 0 40 HKAB COc1cc(C)c(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1C(C)C 409052075 IDWSDANFJMKTOM-STZFKDTASA-N 411.523 5.242 0 40 HKAB COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(C)cc2)cc1 409099164 QSZKBWJGMVBMJV-UHFFFAOYSA-N 401.535 5.467 0 40 HKAB CCOc1ccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 409113142 GVTYQNAHYAXXMA-UHFFFAOYSA-N 415.892 6.078 0 40 HKAB CCCOC(=O)c1cc(NC(=O)CSc2cccc3ccccc23)ccc1Cl 409181548 CXWFQAXIIKBLKU-UHFFFAOYSA-N 413.926 5.791 0 40 HKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 409239235 OXDLQBUIRIQCLO-VCHYOVAHSA-N 422.333 6.019 0 40 HKAB CC(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 409244791 IVHZAVBQWPTDQT-WOJGMQOQSA-N 414.914 5.138 0 40 HKAB Cc1ccc(OCc2ccccc2)c(-c2ccc(C(=O)O)c(CC3CCCC3)n2)c1 585265659 WYSYNBFBVRRNIJ-UHFFFAOYSA-N 401.506 6.067 0 40 HKAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 2037845981 JKJMROCOEIIURB-GOSISDBHSA-N 419.912 5.420 0 40 HKAB COc1ccc(-c2nc3ccccc3c(C(=O)Nc3cccc(C(C)=O)c3)c2C)cc1 647711 BDRYSJMZAICMIB-UHFFFAOYSA-N 410.473 5.674 0 40 HKAB COc1ccc(CC(=O)Nc2cccc(-c3nc4cc5ccccc5cc4[nH]3)c2)cc1 838314 ZGXRXHWVPHQALL-UHFFFAOYSA-N 407.473 5.573 0 40 HKAB Cc1cccc2cc(CN(C(=S)Nc3ccc(F)cc3)C3CCCCC3)c(=O)[nH]c12 874601 IEFSIHDAXBKCDH-UHFFFAOYSA-N 423.557 5.507 0 40 HKAB CCc1nc(SCC(=O)c2c[nH]c3ccccc23)c2c3c(sc2n1)CCCC3 1223150 VFLFMPYGTFSZPB-UHFFFAOYSA-N 407.564 5.589 0 40 HKAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(C(=O)c1cccs1)c1ccccc1F 1376090 OGRJMVJMKDZUCW-JOCHJYFZSA-N 422.525 5.334 0 40 HKAB COc1cc(SC)ccc1C(=O)N1CCn2c3c(c4cc(C)ccc42)CCC[C@@H]31 1431290 KCWZXVUZRVQYAO-NRFANRHFSA-N 406.551 5.214 0 40 HKAB CCCCOc1ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc2c1 1913156 QSGFPNZOJWRKFK-UHFFFAOYSA-N 412.791 6.436 0 40 HKAB Cc1ccc(CNC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc23)cc1 2105632 RYMNMZPTVQIGDW-UHFFFAOYSA-N 408.545 6.339 0 40 HKAB CCCOc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)c1 2138850 YULJTDKHFQZGMG-UHFFFAOYSA-N 407.857 5.584 0 40 HKAB CCCC[C@@H](CC)Cn1c(-c2nonc2NC(=O)c2ccccc2)nc2ccccc21 2144437 OCLHNHBQVMLUMY-QGZVFWFLSA-N 417.513 5.555 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C(C)C)OC3 2285208 YDRNQSDPFGZELE-MRXNPFEDSA-N 400.569 5.047 0 40 HKAB COc1ccc(Cl)cc1NP(=O)(Oc1cccc(C)c1)Oc1cccc(C)c1 2290396 VTSXLKMETBKMAK-UHFFFAOYSA-N 417.829 6.643 0 40 HKAB Clc1cc2oc3c(Cl)c(Cl)c(Cl)c(Cl)c3c2c(Cl)c1Cl 2569952 VEZCTZWLJYWARH-UHFFFAOYSA-N 409.310 8.160 0 40 HKAB biogenic,in-vitro Cc1oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2c(=O)c1-c1ccccc1 2666276 ZGLZTHDZZKMLGS-UHFFFAOYSA-N 411.284 6.654 0 40 HKAB biogenic CCOC(=O)C1=C(NC(=S)Nc2ccccc2)c2ccccc2CC12CCCC2 2745069 MEWCPLCAOSWLHV-UHFFFAOYSA-N 406.551 5.064 0 40 HKAB O=C(NC(=S)N(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1Cl 3066348 ZATCCBJYKDGOEE-UHFFFAOYSA-N 401.318 5.846 0 40 HKAB O=C(c1ccccc1)N(Cc1ccccc1)C1(C(=O)Nc2ccccc2)CCCCC1 3270885 FTKWCTVKVOJXGS-UHFFFAOYSA-N 412.533 5.671 0 40 HKAB O=c1c2c3c(sc2nc(SCc2ccccc2F)n1C1CCCC1)CCCC3 3288190 AKCBQMPBPQVIIU-UHFFFAOYSA-N 414.571 5.883 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1cccnc1)N1C(=N2)C=Cc2ccccc21 3290225 MTKVHKXXVGVPBE-XMMPIXPASA-N 423.907 5.896 0 40 HKAB COc1ccc(NC(=O)CSc2cn(Cc3ccc(C)cc3)c3ccccc23)cc1 4059720 KEINWAGRGQQVBO-UHFFFAOYSA-N 416.546 5.737 0 40 HKAB C[C@H](Sc1nnc(NC(=O)CSCc2ccccc2)s1)c1ccccc1 4088053 XGJRQEJVIXIGJQ-AWEZNQCLSA-N 401.582 5.263 0 40 HKAB O=C(c1ccccc1)N1c2ccccc2N=C(c2ccccc2)C[C@@H]1c1ccccc1 4113812 KFHHONJYQNOKAS-HHHXNRCGSA-N 402.497 6.599 0 40 HKAB Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)c1 4444759 WCPLIZFZDBDBMA-UHFFFAOYSA-N 406.938 5.699 0 40 HKAB COc1ccc([C@H]2OC(C)=C(c3ccccc3)C(=O)N2c2ccc(OC)cc2)cc1 4658973 LOVDPPPXCAAJCG-RUZDIDTESA-N 401.462 5.197 0 40 HKAB Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)cc1 4812152 BAFMBVRZTQQXIG-JOCHJYFZSA-N 410.926 5.188 0 40 HKAB Cc1ccc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)c(Cl)c1 4924251 NGDOLLBCSBDQMA-UHFFFAOYSA-N 404.341 5.527 0 40 HKAB O=C(NP(NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2)c1ccccc1 4931307 GDPIEEKVIQLALR-UHFFFAOYSA-N 406.466 5.127 0 40 HKAB Cc1ccc([C@H](OC(=O)c2cc3sccc3n2C(C)C)C(=O)NC2CCCC2)cc1 4967126 SSYRRCQYNLBDTG-QFIPXVFZSA-N 424.566 5.549 0 40 HKAB CCCOc1ccc(NC(=O)COc2ccc(Br)cc2)cc1OCCC 5937179 WXFPDGBVKKWIGC-UHFFFAOYSA-N 422.319 5.044 0 40 HKAB COc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4OC[C@H]32)cc1OC 6182297 WGKVWYHQRCSHQT-MZNJEOGPSA-N 403.503 5.680 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3ccccc3C)n2)cc1Br 6861043 SHSGQHJOYYOXOE-UHFFFAOYSA-N 403.301 5.142 0 40 HKAB Cc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 6966494 AUWSKFGTPODFRW-BKUYFWCQSA-N 405.885 5.153 0 40 HKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(N2CCOCC2)cc1 7504698 KEHZZOUYYXKHTR-UHFFFAOYSA-N 404.535 5.068 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccc(Cl)cc1 7544438 MQOIAXRKMGYACT-GOSISDBHSA-N 401.897 5.259 0 40 HKAB O=C(NCc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl 7573128 SCNLERBFZAKGAR-HXUWFJFHSA-N 400.309 5.110 0 40 HKAB O=C(Cc1ccc(Cl)cc1Cl)Nc1cccc(-c2nnc3n2CCCCC3)c1 8237149 SHQIHASWENZQBT-UHFFFAOYSA-N 415.324 5.160 0 40 HKAB CCOc1cc(CNC2CC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 8254021 PXZLJQUZAMYFEF-UHFFFAOYSA-N 400.733 5.877 0 40 HKAB COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc(C)c3)n2CC(C)C)cc1 8388669 NKJDFDFIUJDEAQ-QGZVFWFLSA-N 424.570 5.037 0 40 HKAB O=C(CCc1ccccc1)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 8471425 RFPSGUZOSFXOLN-UHFFFAOYSA-N 413.304 5.817 0 40 HKAB CN(C)CCN(C(=O)c1cc(Cl)sc1Cl)c1nc2ccc(F)cc2s1 8683813 TWJVCTRJHWOADN-UHFFFAOYSA-N 418.346 5.012 0 40 HKAB O=C(N/C(=C\c1ccc(Br)cc1)c1nc2ccccc2[nH]1)c1cccs1 9057666 SHOYNIQDFXZNKN-ATVHPVEESA-N 424.323 5.315 0 40 HKAB CCCCc1nc2ccccc2n1CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 9378421 MHNMEIRGWVTEHB-HXUWFJFHSA-N 418.566 5.352 0 40 HKAB COc1ccc(/C=C/C(=O)n2nc(-c3ccc(C)cc3)nc2NCc2ccccc2)cc1 9934889 STRFPIFHYUHUFP-SFQUDFHCSA-N 424.504 5.228 0 40 HKAB CC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3n2C2CCCCC2)c1 10398321 CYLKRZZAQBTWHG-UHFFFAOYSA-N 422.554 5.231 0 40 HKAB COc1cccc(C(=O)Nc2sc(C)c(C)c2-c2nc3ccccc3s2)c1OC 12361206 YDQSZVDQHUYPEW-UHFFFAOYSA-N 424.547 5.911 0 40 HKAB Cc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Cl)cc1Cl)C(C)(C)N2 12462551 NRVYOIQPXNSMNL-PYCFMQQDSA-N 407.391 6.985 0 40 HKAB CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc(C)cc3)c2)cc1 12861846 SCZDQZVGOISMAM-ZZIIXHQDSA-N 413.517 6.665 0 40 HKAB biogenic C[C@H]1CCN(C(=O)CN(C)C(c2ccccc2)c2ccccc2)c2ccccc2S1 13041081 VKYPBVJPOWPXTR-FQEVSTJZSA-N 416.590 5.625 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc2sccc2n1Cc1ccc(F)cc1 13083092 MRTHUVAKXPCHRI-UHFFFAOYSA-N 419.308 6.449 0 40 HKAB O=C(NCc1ccccc1)c1cccc(Oc2nc(C(F)(F)F)nc3ccccc23)c1 14138886 KXKZTPUFERESRQ-UHFFFAOYSA-N 423.394 5.371 0 40 HKAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cc(Cl)ccc1Cl 14581970 AIKASQGMGZAGBB-UHFFFAOYSA-N 414.314 5.529 0 40 HKAB Fc1ccc(-n2c(SCc3cc(-c4ccco4)on3)nnc2-c2ccncc2)cc1 14676183 DSJLBBARBGQLPU-UHFFFAOYSA-N 419.441 5.009 0 40 HKAB Cc1ccccc1[C@@H](C)NC(=O)C1CCC(C(=O)N[C@H](C)c2ccccc2C)CC1 15762062 JPWRQPVERZCCDK-JTVPBKEVSA-N 406.570 5.164 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3o2)c1 17088771 DJPMAPRPGPKHRL-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB CCOc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OCc1ccc(Cl)cc1 20244052 FZKTXERSPLHOBX-JOCHJYFZSA-N 408.885 5.172 0 40 HKAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccccc1Br 21305253 IWMQCXXZWXCMOQ-CYBMUJFWSA-N 417.278 5.053 0 40 HKAB O=C(c1ccc(Br)s1)N(Cc1ccc(Br)cc1)C1CC1 25088620 VNSDJMCKIXBYSZ-UHFFFAOYSA-N 415.150 5.078 0 40 HKAB CCOc1cc(/C=C2\SC(=S)N=C2O)ccc1OCc1ccccc1Cl 26593425 VSDKXHCNBSNFFW-YVLHZVERSA-N 405.928 5.647 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)N(Cc3cccs3)c3ccccc3Cl)oc2c1 27993446 JRCJOFJPJOSMIE-UHFFFAOYSA-N 409.938 6.920 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCCC4=CCCCC4)cc3)n2)cc1 32578788 YJOUQERUVAZMEH-UHFFFAOYSA-N 417.509 5.098 0 40 HKAB COc1cccc(Cn2nc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c2C)c1 32610112 UZLKNOPNMWKDKA-UHFFFAOYSA-N 411.505 5.476 0 40 HKAB CCCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C1=O 35042165 DJZPOUJSWMEROL-CPNJWEJPSA-N 401.915 5.755 0 40 HKAB CC(C)=CCc1c2c(c3occ(-c4ccc(O)cc4O)c(=O)c3c1O)C=CC(C)(C)O2 35464242 ZSSVYEUXLNVQMH-UHFFFAOYSA-N 420.461 5.270 0 40 HKAB biogenic,in-vitro CCC(=O)N1CCc2cc(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)nc3)ccc21 57265386 INICPRKGRWJCJT-UHFFFAOYSA-N 421.884 5.079 0 40 HKAB CCOc1ccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)cc1 64472655 OEOHOXPDPJVZEH-UHFFFAOYSA-N 406.482 5.996 0 40 HKAB Cc1cc(-c2cc(C(=O)Nc3cnc(C(C)(C)C)nc3)c3c(C)noc3n2)c(C)s1 64823530 XGOKDGBFZWKOCS-UHFFFAOYSA-N 421.526 5.216 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1cc(F)ccc1F 67294522 OJYNQCULTHRVMY-QYQHSDTDSA-N 410.807 5.849 0 40 HKAB CN1c2ccccc2C(=O)N(Cc2ccco2)[C@@H]1c1ccc(CSC(F)F)o1 71802037 ZBQYBUBHZYZWCJ-GOSISDBHSA-N 404.438 5.119 0 40 HKAB Cc1nc(C(=O)N2CCC[C@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)co1 72350454 FFAWOLKHQRECJX-INIZCTEOSA-N 415.415 5.084 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)Nc1c(NC2CCCC2)c2ccccc2oc1=O 101095880 RPQOUXHXQNJJJS-UHFFFAOYSA-N 411.889 5.753 0 40 HKAB CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccs1 102490077 LVIJCZQLOCFMOJ-HSZRJFAPSA-N 408.567 6.731 0 40 HKAB COc1cc(CNc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 106975138 ACUQRGBIFAKLHB-UHFFFAOYSA-N 412.327 5.957 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 222935890 SXJCCSQDQDBBEY-BJKOFHAPSA-N 411.586 6.054 0 40 HKAB CC(C)Oc1cccc(CCCNC(=O)CSCc2ccc(Cl)cc2F)c1 223268267 JAOJMCFLEJBOOT-UHFFFAOYSA-N 409.954 5.249 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccccc1C 224099109 AGCWKSQXOGHIMR-UHFFFAOYSA-N 415.411 5.854 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)c1 224296220 WFAYGDXMQGSPDN-ZEQRLZLVSA-N 416.594 5.792 0 40 HKAB CC(C)C[C@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 225495740 FIVQEGRMTHHPLE-QFIPXVFZSA-N 409.599 5.387 0 40 HKAB Fc1ccc(C2(CNC(=S)Nc3ccc(Br)cc3)CCCC2)cc1 225809914 PCGZEGGCJMSPOW-UHFFFAOYSA-N 407.352 5.387 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](c1ccccc1)c1cccc(C)c1 225876467 JLGLUTRGYPSHIG-KAYWLYCHSA-N 413.561 5.937 0 40 HKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCOCC)nc1C 225906659 CQZZGPNQQJJUBO-UHFFFAOYSA-N 408.583 5.001 0 40 HKAB CC(C)COc1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)c2ccccc12 225924752 NDTRBLKGPGLIRV-UHFFFAOYSA-N 400.519 5.116 0 40 HKAB Cc1cc2nc(-c3ccc(-c4nc5cc(C)c(Cl)cc5[nH]4)cc3)[nH]c2cc1Cl 226237233 SRHPOEKPNHMMBF-UHFFFAOYSA-N 407.304 6.697 0 40 HKAB Nc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3Br)o2)ccc1F 226766054 SJEVZFQTBJGKFX-UHFFFAOYSA-N 409.642 5.336 0 40 HKAB CC(C)CN1C(=O)N(c2cccc(F)c2)[C@@H]2[C@H](c3ccc(F)cc3F)CCCC[C@@H]21 257324611 WPLLAZCTCZUEHM-ACIOBRDBSA-N 416.487 6.097 0 40 HKAB COc1c(F)c(F)c(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(F)c1F 408619898 DADKKIOOAVNSHA-UHFFFAOYSA-N 402.558 5.464 0 40 HKAB CC(C)c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 408623305 SQCBDYZTWLBNDO-CSKARUKUSA-N 400.305 7.029 0 40 HKAB Cc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)(C)C)c3)nc2c1 408628228 RCVLTXURYPCPTO-UHFFFAOYSA-N 401.919 5.316 0 40 HKAB COC(=O)c1c(NC(=O)c2cc3c(ccc4ccccc43)o2)sc2c1CCCC2 408630316 ROLCWCWHMPUSND-UHFFFAOYSA-N 405.475 5.565 0 40 HKAB CCn1c(S/C(=C\c2c[nH]c3ccccc23)C(=O)O)nnc1-c1ccc(Cl)cc1 408634445 RIRPMAYENZCNRB-WQRHYEAKSA-N 424.913 5.318 0 40 HKAB Cc1ccc(C)n1N(CC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 408676702 BFOPOZMPRHHGIG-UHFFFAOYSA-N 401.293 5.073 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccccc2)cc1Cl 408699768 WDLQNLSYBWDEMW-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1ccc(-c2nnc(CN(C)C(=O)CC(c3ccccc3)c3ccccc3)o2)cc1 408714323 OHWDRDZTLQEVGJ-UHFFFAOYSA-N 411.505 5.226 0 40 HKAB CCc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 409105833 LAVHWOTVEHDHIF-UHFFFAOYSA-N 405.954 6.442 0 40 HKAB O=C(NCCc1ccccc1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409137226 VWGDBASJKRRHRG-YUVBVNQKSA-N 422.572 5.956 0 40 HKAB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OC(C)C 409211476 NJFQDBXLNCBMFQ-VCHYOVAHSA-N 403.887 5.377 0 40 HKAB CN1C(=O)S/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C1=O 409355693 DRQWVOHOYSJGPS-GIJQJNRQSA-N 400.862 5.148 0 40 HKAB O=C(CC1CCCC1)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 643550241 AHPKVESSEORCKF-SFHVURJKSA-N 422.960 5.336 0 40 HKAB Fc1ccc(CN2CCC3(CC[C@H](Oc4cccnc4)c4ccccc43)CC2)cc1F 2055745539 IPJKLPJTPLEEQJ-VWLOTQADSA-N 420.503 5.808 0 40 HKAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2cccc(Cl)c2)c2ccccc21 832675 TVDYOGKGVPLVES-OSPHWJPCSA-N 418.924 5.873 0 40 HKAB O=C(Nc1ccc(Oc2ccc(Cl)c3cccnc23)c(Cl)c1)c1ccccc1 858209 XNUGKNIEEUUYOX-UHFFFAOYSA-N 409.272 6.586 0 40 HKAB O=C(c1ccccc1F)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2)cs1 932787 KBEUPUNKDLLRQN-INIZCTEOSA-N 416.905 5.428 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccccc3OC)c3cc(C)cc(C)c3n2)cc1 993130 QCBMOFNXNNEKSJ-UHFFFAOYSA-N 412.489 5.788 0 40 HKAB O=C(c1ccccc1F)N(C(=O)c1ccccc1F)c1ccc(N2CCCC2)cc1 1094964 UUKYXPJQNPLCDR-UHFFFAOYSA-N 406.432 5.052 0 40 HKAB Cc1ccc2cc(CN(C(=O)Nc3ccccc3Cl)C3CCCC3)c(=O)[nH]c2c1C 1378331 MOGLSKMSKYVTIA-UHFFFAOYSA-N 423.944 5.775 0 40 HKAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)cc1 1413943 HISQZSCVXCOJOH-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB Cc1cc(NNc2cc(Br)cc(Br)c2)cc(C)c1Cl 1675934 DFPOKJLXMRTHOQ-UHFFFAOYSA-N 404.533 5.921 0 40 HKAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCC(c1ccccc1)c1ccccc1 2082029 WVKOVGSNCZQXAN-IBGZPJMESA-N 407.941 5.754 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2086044 JILZZFHNWOFYBY-UHFFFAOYSA-N 420.965 7.301 0 40 HKAB CCOc1ccc(-n2cnc3scc(-c4ccc(-c5ccccc5)cc4)c3c2=O)cc1 2286986 PBBRWQGLADUYEO-UHFFFAOYSA-N 424.525 6.180 0 40 HKAB COc1cccc(Oc2c(C)oc3cc(OCc4ccc(F)cc4)ccc3c2=O)c1 2422814 ZSMRJLVSNBWTIM-UHFFFAOYSA-N 406.409 5.620 0 40 HKAB biogenic CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2cccc(Oc3ccccc3)c2)cc1 2655461 SKYQGRWWVVULJO-GOSISDBHSA-N 403.478 5.788 0 40 HKAB CCOC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc(C)c1CC 2736955 BKKLRQZJSMMKIO-UHFFFAOYSA-N 401.315 5.746 0 40 HKAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cccc(Cl)c1 2798804 GVCPFEHXQPLZQA-UHFFFAOYSA-N 413.808 5.140 0 40 HKAB Clc1ccccc1OCc1nnc(SCc2csc(-c3ccccc3)n2)o1 3285036 ODPMZDRDVDFNEX-UHFFFAOYSA-N 415.927 5.718 0 40 HKAB CCCCOc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 4361212 YJYUIXFKRBVHDI-RDPSFJRHSA-N 404.535 6.169 0 40 HKAB COc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2c(C)c(Cl)ccc12 4553945 RGPFNFYLEWMUOM-UHFFFAOYSA-N 402.881 6.125 0 40 HKAB Cc1cc(C)cc(OCCSc2nc(O)cc(Cc3cccc4ccccc34)n2)c1 4625663 MNEGRANSULPLLA-UHFFFAOYSA-N 416.546 5.714 0 40 HKAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 4973306 WUCXRZHXHYLITP-UHFFFAOYSA-N 401.466 5.448 0 40 HKAB Cc1cc(C)c(C(=O)COC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1C 5884995 ZQNAJIAFIFKYRU-UHFFFAOYSA-N 415.700 5.377 0 40 HKAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)Nc1ccc2c(c1)CCC2 6609486 JPCGIBIGCPNVAO-UHFFFAOYSA-N 423.516 5.348 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccc(F)cc2)Cc2ccco2)ccc1Cl 6747528 AIPLEDRNMWRMSH-INIZCTEOSA-N 401.865 5.377 0 40 HKAB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)cc1OC 6847403 KLLUXTMIHCIHJO-YVMFTWTESA-N 407.554 5.085 0 40 HKAB O=C(CN(Cc1cccs1)Cc1cccs1)Nc1ccc(N2CCCC2)cc1 7245224 WVORQEFSLCMGBY-UHFFFAOYSA-N 411.596 5.051 0 40 HKAB CCc1nnc(S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)O)o1 7342660 OYYOSWUYRMLUHK-BOPFTXTBSA-N 416.886 5.082 0 40 HKAB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 7882096 DTHYSPICFVHKML-FPOVZHCZSA-N 414.505 5.336 0 40 HKAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc(C)c3C)cc2)CC1=O 7928147 JDTGUBWBTPHOLI-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)n2)cc1 8132915 SCYLUZFGJKJOQA-NSHDSACASA-N 407.326 5.206 0 40 HKAB COc1cccc(/C=C\c2nc(=O)c(-c3ccccc3)c(C)n2-c2ccccc2)c1OC 8387412 KXMBASADJVIDQE-ZCXUNETKSA-N 424.500 5.396 0 40 HKAB O=C(c1ccc(Cl)cc1)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1ccccc1Cl 8453250 HFNXRFAUFNJACL-NZQKXSOJSA-N 421.327 6.157 0 40 HKAB Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)C[C@@H](/C=C/c1ccccc1)C3 8559432 MQTQRLLJWKTYMT-DVBCCOPCSA-N 413.908 5.817 0 40 HKAB CCCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 9139595 QCFTWHHLHIIBHZ-UHFFFAOYSA-N 421.353 5.393 0 40 HKAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)CCc2ccccc2)c1 9387639 SYIMCZVABDLMDP-HXUWFJFHSA-N 400.522 5.368 0 40 HKAB Cc1cc2oc(C(=O)Nc3cccc(-c4nc5ccccc5s4)c3)c(C)c2cc1C 11914736 QTLXVHVWKUDFME-UHFFFAOYSA-N 412.514 6.887 0 40 HKAB O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccccc1Cc1ccccc1 12521823 JYRQAGPNVCMOBT-UHFFFAOYSA-N 410.473 5.482 0 40 HKAB COc1ccc(OCCOC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 12533460 KZZVLGJSRNSPAN-FTRDYKAISA-N 420.549 5.464 0 40 HKAB Cc1cc(C)cc(-c2nnc(SCc3cc4c(cc3Br)OCO4)o2)c1 13112663 XZNUMFVGPQAJCP-UHFFFAOYSA-N 419.300 5.137 0 40 HKAB CCCCCC1CCC(c2ccc(-c3ccc(-c4nc(CCC)no4)cc3)cc2)CC1 13943277 NUSLNCGFKVZYJL-UHFFFAOYSA-N 416.609 8.210 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cccs1 14062579 PJRNMFWZBDYIPS-UHFFFAOYSA-N 413.355 5.064 0 40 HKAB CCSc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c1 15882501 USWKGPRRGRTXAG-UHFFFAOYSA-N 406.532 6.033 0 40 HKAB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)N[C@H]3CCCc4ccccc43)s2)cc1 16046126 VRMASUUEEIVOSZ-BEFAXECRSA-N 424.595 5.265 0 40 HKAB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(Cl)cc1Cl 16384921 HEKHRBIQAHMNJM-UHFFFAOYSA-N 416.742 5.383 0 40 HKAB COc1ccc(-c2cc(OCC(=O)Nc3cccc(F)c3)c3ccccc3n2)cc1 16843070 MXVOOYJTRYTIJL-UHFFFAOYSA-N 402.425 5.067 0 40 HKAB CCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 17082012 KIXVOAFBKHFADQ-UHFFFAOYSA-N 400.522 6.051 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 17090815 IEMOFHXUEATBJA-QGZVFWFLSA-N 416.546 6.494 0 40 HKAB COc1ccc(Cl)cc1NCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O 17145684 WXYGFVPBAZSFKX-HYZSBJHASA-N 400.887 5.011 0 40 HKAB Cc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 20267169 PMACTQHJPZWVAM-UHFFFAOYSA-N 404.941 5.196 0 40 HKAB O=C(Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1)c1ccccc1Cl 20717471 LGGFMLSACHNBIH-UHFFFAOYSA-N 416.912 5.352 0 40 HKAB CC(C)CCSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(C(C)C)cc1)C3 20795866 IQELXUHZHZUNIE-GOSISDBHSA-N 408.571 5.299 0 40 HKAB CCc1ccccc1-n1nc(-c2ccc(Cl)cc2)c2cnc3ccc(OC)cc3c21 21017624 FTOUSLYQNCQTDV-UHFFFAOYSA-N 413.908 6.465 0 40 HKAB CCOc1ccc(-c2cc(C(=O)Nc3nc4ccc(OCC)cc4s3)no2)cc1 27579945 XICFDIXAINEUQC-UHFFFAOYSA-N 409.467 5.001 0 40 HKAB C[C@H]1Cc2cc(-c3cc(C(=O)Nc4nc5ccc(Cl)cc5s4)no3)ccc2O1 27792866 CMYDBUBFVSJOAV-JTQLQIEISA-N 411.870 5.180 0 40 HKAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)c1ccc(C(F)(F)F)cc1 28220970 DICFBMLNIXLFPH-UHFFFAOYSA-N 407.823 5.473 0 40 HKAB CC1=C[C@@H](CNC(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(N(C)C)cc2)o1 35442677 VWPSYSIVFLNQOP-FUDKSRODSA-N 410.606 5.198 0 40 HKAB biogenic,in-vitro COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2cccc(Cl)c2)c1 36352256 VTRIQAINEKLPKE-URXFXBBRSA-N 420.896 5.600 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@@H](O)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 39348694 CZDKQKOAHAICSF-REKCHVTFSA-N 402.663 6.360 0 40 HKAB CN(C(=O)c1ccccc1C(=O)c1cccs1)[C@@H](c1ccccc1)c1ccccn1 40135120 MLCCRYRWUZUXCR-QHCPKHFHSA-N 412.514 5.236 0 40 HKAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2C)cc1OC 41012463 YVSCEGYHUWKVCQ-UXBLZVDNSA-N 404.304 5.207 0 40 HKAB CC[C@@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(C)cc1C 44856688 DMYPHZDRAORKDS-HSZRJFAPSA-N 416.968 5.575 0 40 HKAB CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 58155305 TYEYNTNWDGGWTD-YZVOILCLSA-N 418.459 5.143 0 40 HKAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc1 67289689 MFKQEPOREPCOIW-UHFFFAOYSA-N 402.523 5.052 0 40 HKAB CCC(CC)C(=O)N1CCC(Cc2cccc(-c3ccccc3)c2)(C(=O)N(C)C)CC1 72345291 FMZLJHMDWPRRPO-UHFFFAOYSA-N 420.597 5.029 0 40 HKAB CCC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@]1(O)c1ccc(F)cc1 106013327 FWIMWRAGFVUMJK-RKGDIDPOSA-N 403.541 6.152 0 40 HKAB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 123273045 WKSGKUYVQIETQT-PJYSOBCSSA-N 414.674 6.670 0 40 HKAB Cc1ccccc1[C@H](NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1)c1ccccc1 216232440 OEBLEUHGAQJGLD-JIPXPUAJSA-N 412.577 5.746 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 219346303 TULKAPSVOLFSNJ-DEOSSOPVSA-N 418.537 5.109 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(Cc4ccccc4)c3C)N21 222694211 LEFCVQTYQVQHSP-FGCOXFRFSA-N 416.594 5.528 0 40 HKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1 224331680 KFUMNLZHOPDJFZ-VXKWHMMOSA-N 404.583 5.378 0 40 HKAB CCCCOCc1cc(C(=O)Nc2ccc(C(=O)OCCCC)cc2)ccc1OC 224443145 UKCWDZNSOGPOHM-UHFFFAOYSA-N 413.514 5.221 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccccc1C(C)C 224572483 QPBWGZWAMISMGF-UHFFFAOYSA-N 421.512 5.857 0 40 HKAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 224878565 NNASLMHYOLPYKN-RTBURBONSA-N 401.934 5.696 0 40 HKAB Cc1cc(O[C@@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)O)ccc1Cl 225133828 MIOCNLJKBQHLGY-NRFANRHFSA-N 417.288 6.169 0 40 HKAB CCOC(=O)c1cc(NC(=O)CCc2c(Cl)cccc2Cl)ccc1Cl 225356490 RWKCPRRBTMPZEB-UHFFFAOYSA-N 400.689 5.395 0 40 HKAB S=C(NCCSC1CCCCC1)Nc1ccc(CSc2ccccc2)cc1 225357559 OCGZVMGBMLIXGV-UHFFFAOYSA-N 416.681 6.331 0 40 HKAB Cc1ccccc1[C@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccc1 225503684 ORPSXXBOBKBIQJ-HXUWFJFHSA-N 400.469 6.090 0 40 HKAB CCOc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C 225583149 OEMYRYSEBWDRRA-UHFFFAOYSA-N 422.352 5.696 0 40 HKAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 225793956 SKPFUAPDLRFWQK-UHFFFAOYSA-N 405.807 5.300 0 40 HKAB CCOC(=O)c1cc(NC(=O)C(CC(C)C)(CC(C)C)OCC)ccc1OCC 225823424 TUCDLVYCRKONTG-UHFFFAOYSA-N 407.551 5.068 0 40 HKAB CC(C)(C)OC(=O)N1CC[C@H]2O[C@](C)(Cc3cccc(C(F)(F)F)c3)CC[C@H]2C1 257233894 GRFDYOROLQNRNO-CDXJDZJCSA-N 413.480 5.443 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCCN2C(=O)c2n[nH]c3c2CCCC3)n1 257264243 LTOASVONFBHPLH-QHCPKHFHSA-N 418.516 5.165 0 40 HKAB COc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)cc3)n2)cc1 408693643 BKAKMZFCNNOOMH-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2cc(Cl)ccc2C)cc1 408696458 ACOJRLDYHZAJID-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2cccc(C)c2)cc1 408697012 DPHJRDGCRLFKMW-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB COc1ccc(/C=C(/C(=O)Nc2ccc(Oc3ccccc3)cc2)c2ccccc2)cc1 408927116 YBLYMVLASULVPR-NHFJDJAPSA-N 421.496 6.667 0 40 HKAB Cc1sc(Nc2ccc(Cl)cc2Cl)nc1-c1ccc(Br)cc1 409039194 BWXYTMOANZRGLK-UHFFFAOYSA-N 414.155 6.931 0 40 HKAB Cc1cccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1C 409116465 MNFLVZFFZUSGIP-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB Cc1s/c(=N\C(=O)c2ccccc2-c2ccccc2)n(C)c1-c1ccc(Cl)cc1 409197325 BIOSOHRRGHOPKA-LCUIJRPUSA-N 418.949 6.124 0 40 HKAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2ncccc2-c2ccccc2)cc1 585091822 UZZLVLVYXVHKIP-UHFFFAOYSA-N 422.484 5.289 0 40 HKAB CCCc1nc(COc2ccc(C)cc2C)c(C(=O)O)cc1-c1cccc(Cl)c1 585265037 CVLLHRMANKESMN-UHFFFAOYSA-N 409.913 6.249 0 40 HKAB CC(C)=CCC[C@]1(C)Oc2ccc(-c3cccc(C(=O)O)c3)cc2[C@@H]2OCCC[C@H]21 585265482 FTQAANYTYNZYBA-CWDLOFLHSA-N 406.522 6.417 0 40 HKAB CC(C)CC[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@@]12C 1529045333 RZPAXNJLEKLXNO-XVYGBEFYSA-N 402.663 6.360 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)ccc1Cl 633192 XRGFJSCRHOMSIU-UHFFFAOYSA-N 401.890 5.155 0 40 HKAB Cc1cccc2sc(NC(=O)c3ccc(COc4ccc5ccccc5c4)o3)nc12 669588 INQXMNJYTUBADK-UHFFFAOYSA-N 414.486 6.182 0 40 HKAB CC[C@H](COC(=O)Nc1ccc(Cl)cc1)N1C(=O)CS[C@H]1c1ccc(C)cc1 837058 WZMZQYOLPGWVBA-QUCCMNQESA-N 418.946 5.250 0 40 HKAB CC(C)(C)CC(=O)N1CCc2cc(-c3csc(NC(=O)C4CCCC4)n3)ccc21 1353804 BDOAIKQQDJUCHM-UHFFFAOYSA-N 411.571 5.264 0 40 HKAB CCSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCC1)Cc1ccccc1-2 1835117 KMCMJLRLIHKKKJ-UHFFFAOYSA-N 418.562 5.388 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3)nc2c1 2145151 ADZAXCBNPZRBNI-UHFFFAOYSA-N 422.937 6.496 0 40 HKAB COc1ccccc1[C@H](CCN[C@H](C)c1cccs1)c1ccc(OC(C)C)cc1 2256921 MOHXSJOGIDJNSF-DENIHFKCSA-N 409.595 6.417 0 40 HKAB CCCC(=O)c1c(-c2ccccc2)c2c3n(c(-c4ccc(Cl)cc4)cn13)CCCC2 2341726 XUFKIBJGTBUJBH-UHFFFAOYSA-N 416.952 7.047 0 40 HKAB Cc1cc(C(=O)OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c2ccccc2n1 2642370 MNPULZRGWNNMDB-UHFFFAOYSA-N 404.510 5.586 0 40 HKAB C[C@H](Sc1nncs1)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 2642862 PDDWKFIVJJYMCY-ZETCQYMHSA-N 417.368 5.088 0 40 HKAB CCc1ccccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2741486 QKYWNDLCEXHSNL-UHFFFAOYSA-N 421.327 7.023 0 40 HKAB COc1cnc(SCc2ccc(Cl)cc2Cl)nc1Sc1ccccc1 3133203 YUJWXXKXQAAUDI-UHFFFAOYSA-N 409.363 6.236 0 40 HKAB Cc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccc(Cl)cc2)cc1 3171857 HSQOQBGWTLZBLM-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 3226315 PVJWYHPDWPNFJZ-UHFFFAOYSA-N 409.294 5.239 0 40 HKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3249017 IYUGRAOYPZLZRU-UHFFFAOYSA-N 422.532 5.520 0 40 HKAB C[C@H]1CCc2c(C(=O)OCC(=O)Nc3ccccc3Oc3ccccc3)csc2C1 3390690 UVWZTALQYGEYIU-INIZCTEOSA-N 421.518 5.461 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2CCCc2ccccc2)CN1c1ccccc1F 4033456 PSCKUKHOENVTMQ-FQEVSTJZSA-N 413.496 5.329 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccccc1 4122539 MBPNDSZVUNDVPZ-UHFFFAOYSA-N 419.531 5.099 0 40 HKAB C[C@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 4199607 GEDYDMDWVRNOIZ-YHDSQAASSA-N 412.618 5.576 0 40 HKAB CC(C)Oc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 4363750 YNHUCASOFNSWMO-ZCYQVOJMSA-N 418.924 6.370 0 40 HKAB CCCc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)[C@H](C)[C@@H]2CC)cc1 4663737 JAOGGJZRZKWTLZ-RAHIQWLESA-N 412.577 6.867 0 40 HKAB CCOc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2C1=O 4697213 WSQCTQFTERXMRY-PWGHIRGTSA-N 423.512 5.328 0 40 HKAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c(C)c1 4704216 VUFOGTRJBJRNSM-UHFFFAOYSA-N 414.505 6.054 0 40 HKAB CN(C)c1ccc([P@@](=O)(OCc2ccccc2)[C@@H](O)c2ccc(Cl)cc2)cc1 5026089 LZEPACNQJUHNGU-SKCUWOTOSA-N 415.857 5.217 0 40 HKAB CCCCc1ccc(NC(=O)c2c(-c3ccccc3)c(-c3ccccc3)n[nH]c2=O)cc1 5237463 GODRIQZSJZSJJD-UHFFFAOYSA-N 423.516 5.699 0 40 HKAB CCn1cc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(C)c2)c2ccccc21 5274471 OHYNGJXMSVMONV-FOCLMDBBSA-N 405.501 5.839 0 40 HKAB CCCCCCc1c(C)c2cc(Cl)c(OC/C=C/c3ccccc3)cc2oc1=O 5548288 ZTLXNQLEDWYMRA-JLHYYAGUSA-N 410.941 6.970 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 5951577 ZFEONIVEQSKJCF-UHFFFAOYSA-N 414.505 6.543 0 40 HKAB COc1cc(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc(Cl)c1OCC(C)C 6053864 PSKYFSASHDGAKF-UHFFFAOYSA-N 415.873 5.051 0 40 HKAB COCc1c(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)oc2ccccc12 6112040 AYGCLNAAAZFKAV-UHFFFAOYSA-N 415.533 6.299 0 40 HKAB Cc1c(/C=C2/Sc3ccccc3C2=O)c2ccccc2n1Cc1ccccc1C#N 6414898 XDVSEZTUYSDLLB-AFUMVMLFSA-N 406.510 6.199 0 40 HKAB Brc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3)o2)cc1 7504100 HARXJJAEYBPUDY-IBGZPJMESA-N 406.283 5.701 0 40 HKAB Cc1n[nH]c(=S)n1NCc1c(OCc2ccccc2Cl)ccc2ccccc12 7602682 XNLZVHQJKQGWAV-UHFFFAOYSA-N 410.930 5.378 0 40 HKAB CC(C)[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccc2c(c1)OCCCO2 7973671 RRMCDLGWCDTNFY-QHCPKHFHSA-N 422.550 5.027 0 40 HKAB O=C(Cc1csc(-c2cccc(F)c2)n1)N[C@H](c1ccc(Cl)cc1)C1CC1 8312778 ZDPRBUSOFNPSLB-FQEVSTJZSA-N 400.906 5.413 0 40 HKAB Cc1ccc(C)c(-c2cs/c(=N\c3ccc(F)cc3)n2Cc2ccc(Cl)cc2)c1 8407725 UMUFWGVGWBODEE-PNHLSOANSA-N 422.956 6.907 0 40 HKAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 8470700 UAKVWJYDNSFWCJ-UHFFFAOYSA-N 409.283 5.262 0 40 HKAB O=C(Nc1ccc(OC(F)F)cc1)c1nc(SCc2ccccc2)ncc1Cl 8915619 JQHYCKWCAXRQEK-UHFFFAOYSA-N 421.856 5.276 0 40 HKAB CCCSc1ccccc1C(=O)Nc1nnc(CCc2ccc(OC)cc2)s1 9196975 QQODKZGQOFAPFF-UHFFFAOYSA-N 413.568 5.086 0 40 HKAB Cn1c(Cc2cccs2)nnc1SCc1ccc(C(=O)Nc2ccccc2)cc1 9222782 LATVNNUDZYYFGV-UHFFFAOYSA-N 420.563 5.012 0 40 HKAB COCc1nn2c(C(F)(F)F)cc(-c3cccnc3)nc2c1-c1ccc(Cl)cc1 9261056 DNHHILHRGHYLLL-UHFFFAOYSA-N 418.806 5.277 0 40 HKAB COc1ccc(CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 9632203 ULIMLGCVGADHSB-UHFFFAOYSA-N 423.321 5.315 0 40 HKAB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3ccc(Cl)c(Cl)c3)CC2)cc1 9983794 VKFOSQXNIGGTPB-YCRREMRBSA-N 418.320 5.137 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)CC(c2ccccc2)=Nc2ccccc21 10273432 WUFFPUKQNNZREO-UHFFFAOYSA-N 417.896 5.145 0 40 HKAB Cc1ccc2sc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)nc2c1C 10381621 DXRDRAMXLBHSKT-VQHVLOKHSA-N 422.579 5.308 0 40 HKAB COc1cc(Cl)c(NC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)cc1OC 11065854 QPRLWNSQKGMSQG-GQCTYLIASA-N 420.214 5.681 0 40 HKAB CC(C)c1ccc(NC(=O)Cc2csc(SCC(=O)c3cccs3)n2)cc1 11694979 ANBONEDLNPAKAN-UHFFFAOYSA-N 416.593 5.484 0 40 HKAB Cc1cc([C@@](O)(c2nc3ccccc3s2)C(F)(F)F)c(C)n1C1CCCCC1 12619448 WJUPMOFCSCYZFZ-HXUWFJFHSA-N 408.489 6.018 0 40 HKAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)cc2)n1 12970992 LHHCSFUNHZJMNZ-UHFFFAOYSA-N 407.477 5.285 0 40 HKAB CCOc1ccc(CN(CC)Cc2cc3ccc(OC)cc3nc2Cl)cc1OC 13010117 QDTDMYHKMXOZSQ-UHFFFAOYSA-N 414.933 5.326 0 40 HKAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1Br 14794024 IRZKSBNMSRBJSQ-LJQANCHMSA-N 419.322 5.492 0 40 HKAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)o1)c1ccc(-c2ccccc2)cc1 15229374 MHLFIRIWWMXTFU-QGZVFWFLSA-N 415.518 5.373 0 40 HKAB COc1cccc(NC(=S)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)c1 16155627 WFHAMMDDDXBEDL-NRFANRHFSA-N 402.947 5.016 0 40 HKAB CCOc1cc(CNC)cc(Br)c1OCc1ccc(Cl)cc1Cl 16688533 LKAXBRIHIRXTQL-UHFFFAOYSA-N 419.146 5.453 0 40 HKAB CCn1ncc(CN2CCC[C@@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)c1C 19691999 JKVRKDHLISRZPL-XMMPIXPASA-N 408.977 5.496 0 40 HKAB CCN(Cc1nccn1CC)[C@H]1CCO[C@@H](c2ccccc2-c2ccc(OC)cc2)C1 19711924 ABRFQFLTJNUMPF-SQJMNOBHSA-N 419.569 5.321 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c(Cl)c1 20044276 XRZDZPFNMYOAGK-CYBMUJFWSA-N 410.297 5.193 0 40 HKAB COc1ccc(SCCC(=O)N2CCc3cc(-c4csc(C)n4)ccc32)cc1 22008883 HSWYLRFGDCXATP-UHFFFAOYSA-N 410.564 5.199 0 40 HKAB O=C(NCc1ccc(Cl)cc1)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 22507582 LPCBHXXHZSECJM-UHFFFAOYSA-N 419.912 5.141 0 40 HKAB CC1CCN([C@@H](CNC(=O)c2ccccc2SC(F)F)c2cccs2)CC1 22681570 XCNOZYCBZSEIMC-INIZCTEOSA-N 410.555 5.266 0 40 HKAB Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)c1cccc(Cl)c1 24549804 YVZJWIKOQGZILB-GFCCVEGCSA-N 401.919 5.123 0 40 HKAB O=C(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCC[C@@H]1c1cccs1 24831882 OPQBZWJMMLVZQJ-QGZVFWFLSA-N 418.440 5.932 0 40 HKAB Cc1c(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)oc2ccc(F)cc12 27583264 RILYXVWSJRYFRC-HXUWFJFHSA-N 414.908 5.491 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc2ccccc12 28294828 CCOUFHINAZVWCE-XHDPSFHLSA-N 412.338 5.608 0 40 HKAB Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@@H](c1ccc(F)cc1F)CC(O)=N2 32089292 RQXFOYWBVSRVNA-CYBMUJFWSA-N 416.424 5.850 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cc(F)cc(F)c4)cc3)n2)cc1 32578870 VDGDYVWDLOLEAM-UHFFFAOYSA-N 421.403 5.008 0 40 HKAB CCOc1cc(-c2cccc(OC)c2)nc2ccc(C(=O)NCc3ccccc3)cc12 32986546 BUHPTDPCXRNCDD-UHFFFAOYSA-N 412.489 5.239 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38849444 NVHNIDNEZPJPIZ-OAHLLOKOSA-N 407.341 5.161 0 40 HKAB Cc1nn2c(ncc3c(=O)n([C@@H]4CCCC[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40397619 MGXJNNLKEXNCTM-IFXJQAMLSA-N 406.917 5.424 0 40 HKAB Cc1ccc(-c2cnc(SCc3ccc(F)cc3)n2-c2cccc(Cl)c2)cc1 44087328 KMFIKYHZRAYPIW-UHFFFAOYSA-N 408.929 6.933 0 40 HKAB O=Cc1ccc(OCc2ccc(-c3ccc(COc4ccc(C=O)cc4)cc3)cc2)cc1 44563527 LDCQCRIKZIMCGL-UHFFFAOYSA-N 422.480 6.137 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 44900603 ZTCNLRAYZBPCSP-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3cc(C)ccc3C)n2)cc1 46012160 YLJJOLPXPDYQPZ-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)C(F)(F)F 57316776 VYBYDDAINAAJFH-UHFFFAOYSA-N 419.584 5.412 0 40 HKAB O=C(Nc1cccc(C(=O)Nc2ccccn2)c1)c1ccc(Oc2ccccc2)cc1 60341115 FSZJUYACONTHLW-UHFFFAOYSA-N 409.445 5.379 0 40 HKAB O=C(c1cnc2ccc(Cl)cc2c1Nc1ccc(Cl)c(Cl)c1)N1CCCC1 64658319 TWLKCDZIEPXHRJ-UHFFFAOYSA-N 420.727 6.175 0 40 HKAB Cc1ccc([C@@H]2CCCN2C(=O)CCc2ncc(-c3c(F)cccc3F)o2)cc1C 65575464 JBZYBLSYQZIGAM-FQEVSTJZSA-N 410.464 5.533 0 40 HKAB CC(C)CN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215764 XXJZEGKQCWFINV-JOCHJYFZSA-N 415.622 6.339 0 40 HKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@H]1COc2ccccc21 95390000 YFCVDQMTXFXACU-HNNXBMFYSA-N 404.413 5.001 0 40 HKAB CCOc1ccc(-n2cc(-c3nc(-c4ccccc4C)no3)c3ccccc3c2=O)cc1 96324283 ZPTYLQBPWNUQBF-UHFFFAOYSA-N 423.472 5.415 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=O)c1cccc(OCc3ccccc3)c1)CC(C)(C)O2 218979240 CHDYLXYFEQSGJE-QHCPKHFHSA-N 417.505 5.306 0 40 HKAB CC[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccc(OC)c(OC)c1 219131373 BZFSSSYGVZHXOL-QHCPKHFHSA-N 403.522 5.493 0 40 HKAB COc1ccc(OC)c([C@@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)c1 223100966 SUBOHCLYOUHANN-GFCCVEGCSA-N 414.354 5.121 0 40 HKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)c1 224524081 WMFVEWWSEZEHAH-XZOQPEGZSA-N 418.566 5.021 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1C1CCCC1 225010081 XNHGSOLUQKHEOD-YADHBBJMSA-N 422.985 5.441 0 40 HKAB COc1ccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)cc1 225344343 LFFQRMVBZPZDGN-UHFFFAOYSA-N 401.384 5.222 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225612290 QRSYTDWHSSDFGQ-FQEVSTJZSA-N 407.539 5.188 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(Br)cc1 225677253 MFPKQDOGBMIPFW-INIZCTEOSA-N 405.361 5.346 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1Cl 226261893 GGWSFSNDYOGMFG-GFCCVEGCSA-N 408.329 5.215 0 40 HKAB Cc1cc(N)c(NC(=O)c2cccc(Br)c2)cc1N1[C@@H](C)CCC[C@@H]1C 226330314 DOQPKRQYPWJZPU-GJZGRUSLSA-N 416.363 5.359 0 40 HKAB CCCc1s/c(=N\C(=O)c2ccccc2OC)n(CC)c1-c1ccc(Cl)cc1 408562127 MZLZHANKRVKUSD-GYHWCHFESA-N 414.958 5.592 0 40 HKAB CCOc1cc(C(=O)Nc2c(C)cccc2CC)cc(Cl)c1OCc1ccccc1 408617110 BRNASMDFLNHXBF-UHFFFAOYSA-N 423.940 6.441 0 40 HKAB O=C(NC(=S)NCc1ccccc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408624816 CCFAEOJAHJQDNL-UHFFFAOYSA-N 405.306 5.058 0 40 HKAB Cc1cccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c1 408628617 VJEOGWBXMQJIRW-UHFFFAOYSA-N 401.963 5.012 0 40 HKAB CSc1ccccc1NC(=O)C(=O)c1c(-c2ccc(C)cc2)cc2ccccn12 408677919 SIGDGTJNXXTYFI-UHFFFAOYSA-N 400.503 5.458 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2ccccc2)c(C)c1 408698954 QHEMNZMTIFRXTE-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3)n2)cc1C 408724460 KRGVNGCGJPFYAE-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB O=C(O)c1ccccc1-c1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)o1 408991965 RUSAFJLJWBKEOI-UHFFFAOYSA-N 406.463 5.291 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 409021780 YCBIGBDCXXYRLI-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB CCCOc1c(Br)cc(CNc2ccccc2C)cc1Br 409118050 SDJZPUGLNPIKNL-UHFFFAOYSA-N 413.153 5.921 0 40 HKAB O=C1S/C(=C/c2cc(Cl)cc(Cl)c2O)C(=O)N1CCCc1ccccc1 409126372 BRFQLIBXJKKVKZ-MHWRWJLKSA-N 408.306 5.368 0 40 HKAB CCCN1C(=O)S/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)C1=O 409128920 PXLOPVNVGGZYRB-STZFKDTASA-N 424.497 5.306 0 40 HKAB O=C(NC(=S)Nc1ccc(OCc2c(F)cccc2Cl)cc1)c1ccccc1 675031593 UAPOZPPYEHJMJM-UHFFFAOYSA-N 414.889 5.185 0 40 HKAB COc1ccc(-c2csc(N(Cc3ccco3)C(=O)COc3ccccc3)n2)cc1 929170 FSNXSWMNIISYRV-UHFFFAOYSA-N 420.490 5.024 0 40 HKAB O=C(COc1ccc(Oc2ncc(Cl)cc2Cl)cc1)Nc1ccccc1F 1425914 XFBFSJCMOFGNLY-UHFFFAOYSA-N 407.228 5.337 0 40 HKAB O=C(Cc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 1431422 SFDKYEGYWDCTQB-UHFFFAOYSA-N 401.487 5.066 0 40 HKAB O=C(COc1ccc(C2CCCCC2)cc1)OCc1ccc(Br)cc1 3095291 RVSZYSGVKBESGZ-UHFFFAOYSA-N 403.316 5.619 0 40 HKAB Cc1c2c3n(c4c(F)c(F)ccc4n3c1Sc1ccc(Cl)cc1)CCCC2 3200079 SMLCWURDNQEHFH-UHFFFAOYSA-N 402.897 6.622 0 40 HKAB CCN(C(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1)c1cccc2ccccc12 3219506 NCTXYUYKEBPEEX-UHFFFAOYSA-N 423.896 5.052 0 40 HKAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)C1 3310042 YOOQLGGQTNWUOW-HZPDHXFCSA-N 423.354 5.782 0 40 HKAB Cc1sc2nc(-c3cccnc3)nc(N3CCC(C)CC3)c2c1-c1ccccc1 3363090 JPIAHOHCGAUNDH-UHFFFAOYSA-N 400.551 5.965 0 40 HKAB Cc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 3636300 DYYJUGHJJBURCM-VWLOTQADSA-N 416.546 5.064 0 40 HKAB C[C@@H]1CC(C)(C)Nc2cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc21 4064357 DMTCUEHDFYNOBC-HSZRJFAPSA-N 417.596 7.767 0 40 HKAB CC[C@H](c1nnc(SCc2cccc3ccccc23)n1Cc1ccccc1)N(C)C 4494455 XDWSAKVQMIDCBM-HSZRJFAPSA-N 416.594 5.785 0 40 HKAB O=C(O)c1cc(-c2ccc(-c3ccccc3C(F)(F)F)o2)nc2ccc(F)cc12 4717608 WNSZAPZTBVPKAW-UHFFFAOYSA-N 401.315 6.018 0 40 HKAB CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@@H]1c1c(O)ccc(O)c13 4720792 LXMARPMTBJNUMP-RBIGRCCCSA-N 410.554 5.726 0 40 HKAB CCCSc1nc2c(c(=O)n1CCc1ccccc1)[C@](C)(CC)Cc1ccccc1-2 5024570 RNXULDUPBBOQQC-AREMUKBSSA-N 418.606 5.879 0 40 HKAB S=C(NCCCc1cn(Cc2ccccc2)c2ccccc12)NCc1ccccc1 5274232 UKJFPBJDNYKRBP-UHFFFAOYSA-N 413.590 5.287 0 40 HKAB CC(C)Oc1ccc(C(=O)Oc2c(Cc3ccccc3)c(=O)oc3ccccc23)cc1 5500639 USCRIWZKADKJBM-UHFFFAOYSA-N 414.457 5.390 0 40 HKAB Clc1ccc(-c2nnc(CSc3nnc(C4CC4)n3-c3ccccc3)o2)cc1 6128462 INXBPPZVTVZCQJ-UHFFFAOYSA-N 409.902 5.140 0 40 HKAB Cc1cc(OCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)ccc1Cl 6219213 QIJZLLSDRVVORQ-UHFFFAOYSA-N 408.910 5.943 0 40 HKAB Cc1cc2nc(-c3cc4cc(C56CC7CC(CC(C7)C5)C6)ccc4oc3=O)[nH]c2cc1C 6779972 AAYUCFHGPYFWKV-UHFFFAOYSA-N 424.544 6.421 0 40 HKAB C[C@H]1CCc2sc(-c3nnc(SCc4ncc(-c5ccccc5)o4)o3)cc2C1 7130788 SIFFQQATHPIVFN-ZDUSSCGKSA-N 409.536 5.870 0 40 HKAB CC(C)(c1ccccc1)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 7928954 BSKFUBKHZILBIF-SFHVURJKSA-N 417.480 5.110 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)sc2c1CCCC2 8558760 BTTBTGPMWOZOEM-MRXNPFEDSA-N 421.946 5.253 0 40 HKAB O=C(CSC1=Nc2ccccc2[C@H]2CC=NN12)Nc1ccccc1-c1ccccc1 8924579 HNIOBGSMBHRONN-JOCHJYFZSA-N 412.518 5.459 0 40 HKAB O=C(/C=C/c1nc2ccccc2s1)NCc1ccc(-c2nc3ccccc3s2)o1 8938301 DJQWUSDBFUTCHU-VAWYXSNFSA-N 417.515 5.496 0 40 HKAB COc1ccc(C)cc1NC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 9666269 SMBAYJFFIJVYQS-UHFFFAOYSA-N 424.305 5.321 0 40 HKAB O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 10231827 KCTCRBBJAXGLMC-UHFFFAOYSA-N 423.988 5.143 0 40 HKAB Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)Nc3ccccc32)cc1 12468362 ILFQYCDNZKGDNS-MOSHPQCFSA-N 420.306 5.829 0 40 HKAB CSc1cccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)c1 12912591 YICYVUVCQYNAAO-UHFFFAOYSA-N 404.535 5.053 0 40 HKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccc(C(C)=O)cc2)cc1 12915483 JVBDIKJJNFZJKH-UHFFFAOYSA-N 412.489 5.617 0 40 HKAB Cc1cc(Br)cc(C)c1OCC(=O)Nc1cccc(C(F)(F)F)c1 14835445 FHKUUUMRRZDHBR-UHFFFAOYSA-N 402.210 5.102 0 40 HKAB O=C1C[C@H](c2ccc(OCc3ccccc3F)cc2)c2c(sc3c2CCCC3)N1 15085024 QEKHOXVVWYZFQC-LJQANCHMSA-N 407.510 5.819 0 40 HKAB Cc1cc(Nc2ccc(F)cc2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 15839981 KJXHNORJORPJMX-UHFFFAOYSA-N 404.342 5.745 0 40 HKAB CCc1cc(I)ccc1NC(=O)c1cc(Cl)ccc1Cl 16161241 BEXGFVSRHPTXOJ-UHFFFAOYSA-N 420.077 5.413 0 40 HKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(Cc3ccc(Cl)cc3Cl)n2)cc1 17087632 SQWWWQASDLJKQV-UHFFFAOYSA-N 407.344 7.189 0 40 HKAB CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c(C)c1 17088146 MVUAJENDAITVCY-NTCAYCPXSA-N 408.929 6.407 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1C 17088227 LWOYRCPHQMPMJK-UHFFFAOYSA-N 409.445 5.612 0 40 HKAB CC(C)c1nc(C2CCN(C(=O)CCc3ccccc3)CC2)ncc1-c1ccncc1 19451540 CAGDLXOHNXJZFM-UHFFFAOYSA-N 414.553 5.001 0 40 HKAB CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCc1ccccn1)n2C 19894343 JJHWEEOLWITVOA-UHFFFAOYSA-N 403.913 5.386 0 40 HKAB COc1ccc([C@H](C)NC(=O)CCc2ncc(-c3ccc(CC(C)C)cc3)o2)cc1F 21897797 UAPRTQIOPYEEMI-KRWDZBQOSA-N 424.516 5.498 0 40 HKAB CCOc1ccccc1/C=C/C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 23174998 ACEQYVXCEXNWOX-FOCLMDBBSA-N 401.466 5.381 0 40 HKAB COc1cccc(CSc2nnc(COc3ccccc3F)n2-c2ccccc2)c1 24832733 VFSBUCOTFBKYDJ-UHFFFAOYSA-N 421.497 5.286 0 40 HKAB Cc1ccc(N2CCN(C(=O)c3csc4cc(C(C)(C)C)ccc34)C[C@@H]2C)cc1 26532504 WYPZQVRWJYIAHO-SFHVURJKSA-N 406.595 5.858 0 40 HKAB O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1csc(-c2ccsc2)n1 29766906 BMNUTYWLTBDNKV-UHFFFAOYSA-N 400.916 5.022 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(OC)c(Cl)cc1OC 30756910 NXIZZJDCSVASQS-KRWDZBQOSA-N 400.327 5.520 0 40 HKAB COc1cc2ccccc2cc1C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 30863152 LPIBQMCRNLWFAO-UHFFFAOYSA-N 415.464 5.497 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=O)C(Cl)(Cl)Cl)c3)nc2c1 32109309 YXNJAIYJGABYKX-UHFFFAOYSA-N 418.107 6.074 0 40 HKAB COc1cccc(C(=O)Nc2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)c1 32623568 KKQUSTTTZISUPK-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB CCc1cccc(C)c1Nc1c(-c2cc(OC)c(O)c(OC)c2)nc2ccc(C)cn12 35615738 PSBAYHJCLRWGKX-UHFFFAOYSA-N 417.509 5.647 0 40 HKAB CCn1nc(C)c2c(C(=O)Nc3ccccc3C(C)=O)cc(-c3ccc(C)cc3)nc21 36616691 QPIOHNZKHKHEAU-UHFFFAOYSA-N 412.493 5.190 0 40 HKAB CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 38253525 HCXVJBMSMIARIN-BGDBIVFESA-N 412.702 7.801 0 40 HKAB biogenic,in-vitro CC(=O)Nc1ccc(NC(=O)NCc2ccc(Cl)cc2Cl)c(C(F)(F)F)c1 40104394 MRHBELALHFFFRK-UHFFFAOYSA-N 420.218 5.292 0 40 HKAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@@H]1c1ccsc1 45974015 NUXLHUFCVBQMLO-MRXNPFEDSA-N 414.449 5.161 0 40 HKAB CC[C@@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)c1cccc(Cl)c1 58690422 UADLDSIFMMJWAK-HXUWFJFHSA-N 414.958 5.494 0 40 HKAB Cc1nc(C)c([C@@H](C)NC(=O)CCN2c3ccccc3Sc3ccccc32)s1 65518621 NAGLMKQTSLDQCQ-OAHLLOKOSA-N 409.580 5.630 0 40 HKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1)C1CC1 72215320 SXHPTWQGGYQWQT-KRWDZBQOSA-N 403.523 5.058 0 40 HKAB CC(=O)Nc1ccc(CN2CCC(c3cccc(Cc4cccc(F)c4)n3)CC2)cc1 72349941 IGUVBOGJOHZFLF-UHFFFAOYSA-N 417.528 5.150 0 40 HKAB C[C@@H](NC(=O)c1sc2ccccc2c1C[S@@](C)=O)c1ccc2ccccc2c1 89905137 AOECQIVRTWITAH-JMGYQRAPSA-N 407.560 5.424 0 40 HKAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)C1(c2cccc(C(F)(F)F)c2)CCCC1 96997827 JAVGTVXPPOSKHU-CVEARBPZSA-N 407.398 5.755 0 40 HKAB COc1cc([C@@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc(OC)c1O 102535228 YRVKOOIDEYPGQN-QHCPKHFHSA-N 422.525 5.898 0 40 HKAB CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1 102636217 XDWCGPUWZGYRIC-FGZHOGPDSA-N 417.505 5.049 0 40 HKAB CN(C)c1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccccc4)C3=C(O)C2)cc1 102928393 PTPIXMVCVKJRSH-HRFSGMKKSA-N 409.533 6.382 0 40 HKAB Cc1ccc(N2C(=O)/C(=C/Nc3cccc(Cl)c3C)c3ccccc3C2=O)c(C)c1 103004954 KVCUSQXBEFUJSS-XSFVSMFZSA-N 416.908 5.905 0 40 HKAB CCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F 107042138 NMKOBPWQKYPSKE-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB CCO[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118924772 HVJCKZFYZWPQOO-VFGXHBSASA-N 414.718 8.433 0 40 HKAB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1Cc1ccc(Br)cc1 214946209 PUTJCWUDGRVXNW-OQLLNIDSSA-N 408.704 5.339 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219386990 DAWCNCLFUJBDAC-AZUAARDMSA-N 403.975 5.938 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219387548 NCZXIXKUJBAFBQ-QUCCMNQESA-N 419.974 5.638 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccc(OC(C)C)cc1 223040601 GWXKQJYILQEFEL-RUZDIDTESA-N 409.570 5.259 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)NCCCc1cccc2ccccc12 223203024 QBNGDXIXEIGLGE-UHFFFAOYSA-N 401.934 5.615 0 40 HKAB CCCCc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(OC)cc2)cc1 223301424 DADHXRYPQBRDCF-QJOMJCCJSA-N 418.493 5.040 0 40 HKAB S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(Oc2ccccc2)nc1 223974813 LJKPOEMGIWCZBX-UHFFFAOYSA-N 403.551 5.672 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1cccc(Cl)c1 224148806 ODELYOUIXUFNRR-UHFFFAOYSA-N 409.869 5.383 0 40 HKAB COc1ccc(C(=O)NCCC(C)C)cc1COc1ccc(-c2ccccc2)cc1 224222704 AUPJNSXZIFBUGI-UHFFFAOYSA-N 403.522 5.717 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccccc1C(C)C 224235065 YUWXDMYZXYSZNP-UHFFFAOYSA-N 421.562 6.372 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1cc(C)cc(C)c1C 224276837 HJSVFXLMWWHEAR-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB COc1ccc(-c2nnc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)s2)cc1 225586906 KKDPZCRBFSUYQJ-LTGZKZEYSA-N 413.502 5.393 0 40 HKAB Cc1cccc(CSCCCNC(=S)Nc2ccc(Br)cc2)c1 225603001 BCUNDASBCBOEAA-UHFFFAOYSA-N 409.418 5.367 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)c4ncccc34)CCCCC2)c1 225866753 OKIINNLKNXUFEA-UHFFFAOYSA-N 402.538 6.171 0 40 HKAB Brc1ccc(-c2ccc(CNc3ccccc3N3CCOCC3)o2)cc1 226240321 QRTZXWVLNULLEC-UHFFFAOYSA-N 413.315 5.158 0 40 HKAB O=C(NCCC1=CCCCC1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408620995 NHELBMAKUCYSFJ-UHFFFAOYSA-N 406.913 5.449 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(C)c2C)n1 408698774 PLHGXZKEXUATAQ-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3C)sc2c1Cl 408969888 WLYUTBPJOLGLGI-UHFFFAOYSA-N 400.714 6.431 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(Cl)cc1OC 409194470 LZYJRZUYYRJLRV-RQZCQDPDSA-N 424.305 5.642 0 40 HKAB COc1cc(CNc2cc(C)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1 409268695 XSRMPOBDKBZTSM-UHFFFAOYSA-N 404.510 5.250 0 40 HKAB CSCC[C@@H](NC(=O)C[C@@H](c1ccsc1)n1cccc1)c1nc2ccccc2[nH]1 575443375 RQIZBUKDSBDOPS-UXHICEINSA-N 424.595 5.016 0 40 HKAB COC[C@@H](C)Oc1ccc(NC(=O)c2cccc(-c3ccc(OC)cc3)c2C)cc1 643586931 LFXWWSSGMXLCQR-QGZVFWFLSA-N 405.494 5.337 0 40 HKAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(-c3c(C)noc3C)ccc21 643588782 LJADZRKITNUHEQ-UHFFFAOYSA-N 411.590 5.733 0 40 HKAB COCc1cc(C)nc2sc(C(=O)N(c3ccccc3)c3ccccc3)c(N)c12 717105 LLTITMRMPCSHOW-UHFFFAOYSA-N 403.507 5.312 0 40 HKAB Cc1ccc(-n2nc3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3n2)cc1C 722575 CTJKRWPNWXPUEY-UHFFFAOYSA-N 411.292 5.596 0 40 HKAB CC(C)CCOc1cccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c1 722579 WMUVXRHKJOUESK-UHFFFAOYSA-N 400.482 5.098 0 40 HKAB O=C(N[C@H](Nc1cccc(Cl)c1Cl)C(=O)c1ccccc1)c1cccs1 1452566 PVSQXFJTYUXYML-SFHVURJKSA-N 405.306 5.106 0 40 HKAB Cc1cccc(C(C)C)c1N1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 2114076 BXVDICXZGYEWLU-UHFFFAOYSA-N 411.501 6.248 0 40 HKAB biogenic CSc1nc(SCC(=O)Nc2ccccc2)c2c3c(sc2n1)CCCC3 2225236 FSARPDVWIVGYHY-UHFFFAOYSA-N 401.582 5.023 0 40 HKAB Clc1cccc(-n2cc(-c3ccccc3)c3c(NC4CCCCC4)ncnc32)c1 2714655 QIGALIMVJYDWIC-UHFFFAOYSA-N 402.929 6.486 0 40 HKAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1c(F)cccc1F 2763760 OSVUSPYPFKHEER-UHFFFAOYSA-N 407.825 5.386 0 40 HKAB Cc1ccccc1NC(=O)Sc1nnc(Cc2ccc(Cl)c(Cl)c2)c(O)n1 3317375 ZWMQADLJGHZSSW-UHFFFAOYSA-N 421.309 5.107 0 40 HKAB Cc1sc(NC(=O)Cc2coc3cc4c(cc23)CCC4)nc1-c1ccc(Cl)cc1 3419293 IGLBDKQNKOORHQ-UHFFFAOYSA-N 422.937 6.188 0 40 HKAB S=C1NC(c2ccc(OCc3ccccc3)cc2)=C[C@@H](c2ccccc2Cl)N1 3672175 OGYDKECXQLNLRV-QFIPXVFZSA-N 406.938 5.479 0 40 HKAB COC(=O)c1ccc(NC(=S)Nc2cc3oc4ccccc4c3cc2OC)cc1 3999720 AHIRJGHITASXFV-UHFFFAOYSA-N 406.463 5.190 0 40 HKAB biogenic CCC(=O)N(CC[C@]1(c2ccccc2OC)CCO[C@H](C(C)C)C1)Cc1ccccc1 4043602 MSKPBDGFSCBHIQ-BDYUSTAISA-N 423.597 5.597 0 40 HKAB biogenic Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(C(C)(C)C)cc1 4554527 ITISSILKLDCCRT-UHFFFAOYSA-N 400.547 6.822 0 40 HKAB CCC[C@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@]1(O)CCC 4652822 FFNLFWCXKWZQKH-VCECKLMPSA-N 420.424 6.963 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ncc(Cl)c(Cl)c1Cl 4767108 QXAFOPXFKPXZQY-VIFPVBQESA-N 411.672 5.260 0 40 HKAB CCC(=O)N(CC[C@]1(c2ccccc2OC)CCO[C@](C)(CC)C1)Cc1ccccc1 4812245 HSLBYBOWNAXFGN-SXOMAYOGSA-N 423.597 5.741 0 40 HKAB CC1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccco3)=NN12 5024615 BQISLFBABQIVPX-RNHGABITSA-N 401.304 5.492 0 40 HKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1cccc(F)c1 5106921 QTWUGJIWTVWOPD-UHFFFAOYSA-N 418.424 5.475 0 40 HKAB CC(C)CCOc1cccc(OCC(=O)N2c3ccccc3CCc3ccccc32)c1 5446880 ITZRWLXFHANITQ-UHFFFAOYSA-N 415.533 5.954 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4OC)c3)nc2c1 6440230 PRFMIRJZWCSQOU-MRXNPFEDSA-N 400.478 6.269 0 40 HKAB O=S(=O)(Nc1nc2c(ccc3ccccc32)s1)c1ccccc1C(F)(F)F 6509953 JPLFUBNMEISCNK-UHFFFAOYSA-N 408.426 5.269 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 6885774 JIEUZIYWKPVUBJ-DHZHZOJOSA-N 409.276 5.379 0 40 HKAB Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)o1 7194720 LWLFZNRQCFSODG-OAHLLOKOSA-N 405.479 5.424 0 40 HKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1C 8048977 IFIHJZSXKMCFJM-XMMPIXPASA-N 405.563 6.392 0 40 HKAB CCOc1cc(CNC[C@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 8254029 QBWCPWSPAGMUFB-LBPRGKRZSA-N 418.748 5.095 0 40 HKAB COc1cccc(C(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)c1 8367675 VFLLWXHYVUKKHI-UHFFFAOYSA-N 408.461 5.143 0 40 HKAB O=C(Nc1cccc(CNc2nc(-c3cccs3)nc3ccccc23)c1)C1CC1 8750489 CNXCLNAMKLAFBT-UHFFFAOYSA-N 400.507 5.319 0 40 HKAB O=C(CSc1ccc(F)cc1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 8756765 XAURBBOOFXWNHF-MRXNPFEDSA-N 402.541 5.419 0 40 HKAB O=C(Nc1sc2ccccc2c(=O)c1-c1cccc(C(F)(F)F)c1)c1ccco1 9327984 MKEAJDJDIKLRLP-UHFFFAOYSA-N 415.392 5.793 0 40 HKAB Cc1cc(C(C)(C)C)cc(C)c1CSc1nn2c(=O)c(C(C)(C)C)nnc2s1 9536844 GZUFSWVEXQNXTA-UHFFFAOYSA-N 416.616 5.050 0 40 HKAB O=c1oc2ccccc2c2c1[C@@H](c1ccc3c(c1)OCO3)c1c(ccc3ccccc13)N2 10059061 CFWMUAXIAASHPY-QHCPKHFHSA-N 419.436 5.912 0 40 HKAB CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccsc2)cc1 10215712 SSWOYWYZAORXFQ-NFBKMPQASA-N 406.507 5.398 0 40 HKAB Cc1ccc2nc(COc3ccc(C(=O)N4CCC[C@@H]4c4ccccc4)cc3)cn2c1 10393611 NFNGZYPWLLOGRJ-XMMPIXPASA-N 411.505 5.199 0 40 HKAB COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)Cc3cccc(OC)c3)no2)cc1 12185494 UDAQYKCFICARNJ-HSZRJFAPSA-N 420.509 5.045 0 40 HKAB Cc1ccc(-n2c(SCc3cc(-c4cccs4)on3)nnc2N2CCCC2)cc1 13121159 MCPFZVOGOKNYRL-UHFFFAOYSA-N 423.567 5.185 0 40 HKAB CCCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)Nc3nc4ccccc4n32)cc1 13634787 IDINGPNDQYXBGR-JOCHJYFZSA-N 405.498 5.067 0 40 HKAB COc1cccc(-n2c(/C=C/c3c[nH]c4ccc(OC)cc34)nc3ccccc3c2=O)c1 13787683 VXIJDGSCCFELCZ-JLHYYAGUSA-N 423.472 5.055 0 40 HKAB CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCc1cccc(C)c1 13924865 REBCGVWRQZINID-JCMHNJIXSA-N 413.473 5.317 0 40 HKAB C/C=C(\C)[C@@H](O)[C@@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1nc(OC)c(OC)c(O)c1C 14655917 BBLGCDSLCDDALX-YCCHQKLGSA-N 415.574 5.457 0 40 HKAB biogenic CCCCOc1cccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1 15880220 OJBXWLXYJMOELU-UHFFFAOYSA-N 421.566 5.133 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(C2SCCCS2)c1 16502972 NPKKPFKLORTUCD-NRFANRHFSA-N 424.591 5.458 0 40 HKAB Cc1ccc(-c2nn(Cc3ccc(Cl)cc3Cl)c(-c3ccc(C)cc3)c2C)cc1 17092640 IHJJIQXMRHRIMO-UHFFFAOYSA-N 421.371 7.497 0 40 HKAB Cc1ccccc1CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)n1C 17135905 DIOGRMLOOIGOTL-UHFFFAOYSA-N 411.577 5.116 0 40 HKAB COc1cc(CN[C@H](Cc2cccs2)c2nccs2)ccc1OC1CCCC1 19550137 YCCGSBUFQQWRQM-LJQANCHMSA-N 414.596 5.608 0 40 HKAB CC1=C(C)/C(=C/c2[nH]c(CC3=N/C(=C\c4[nH]cc(C)c4C)C(C)=C3C)c(C)c2C)N=C1 20111424 OQODRSKXMSRDIW-TVZRXNDWSA-N 412.581 6.713 0 40 HKAB biogenic CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccccc3)c2c1 20382343 PYKGZWZYHPSLTH-UHFFFAOYSA-N 418.518 5.078 0 40 HKAB O=C(N/C=C(/c1ccccc1)[S@@](=O)Cc1ccccc1)Nc1ccccc1Cl 31853185 OXHRPTPKWHJDAN-USPYDQLOSA-N 410.926 5.409 0 40 HKAB Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CCNC(=S)Nc2ccc(Cl)cc2)C1(C)C 33433976 ZONYZKLNGMMSCG-RXVVDRJESA-N 412.002 6.246 0 40 HKAB CCOc1ccc(-c2csc3c(=O)n(Cc4ccc(C)cc4)cnc23)cc1OCC 44167038 NTDNNDBGKUCSSO-UHFFFAOYSA-N 420.534 5.279 0 40 HKAB Cc1ccc2nc(NC(=S)NC(=O)/C=C/c3ccc(-c4ccccc4)o3)sc2c1 57315750 FJZQOKZKDPMMMO-FMIVXFBMSA-N 419.531 5.391 0 40 HKAB Cc1nn(-c2ccccc2)c(O)c1C(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 67299839 PIPNPXJABHSDQV-UHFFFAOYSA-N 413.260 5.684 0 40 HKAB O=C(Oc1ccccc1)Oc1cc2cc(Cl)ccc2n1C(=O)Oc1ccccc1 96190971 DPBLRWKCPHCANV-UHFFFAOYSA-N 407.809 5.920 0 40 HKAB Cc1cccc(C(=O)NC(=S)Nc2ccc3nc(-c4ccccc4C)oc3c2)c1 98086904 QVUPHROQSKOSGQ-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 100016981 BLQIUYJCPHQGEL-WHPBGRISSA-N 416.348 6.467 0 40 HKAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@H](C)[C@H]4[C@H]5C[C@H]6C[C@@H]5CC[C@@H]4C6)[C@H]3C=C12 100746562 QYESPJZMQFTGIX-PRNCXNSFSA-N 411.630 5.351 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1cccc(Cl)c1 107032946 SOIVZLJQYRMXRA-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB O=C(NCc1ccc2ccccc2c1)c1cc(Cl)ccc1OCc1ccccc1 222803563 KSNJPLNRUNBPIX-UHFFFAOYSA-N 401.893 6.002 0 40 HKAB CCC1(CC)C[C@H](NC(=O)COc2ccc(Br)cc2)c2ccccc2O1 223288561 NGHXJOYZTXFPMY-SFHVURJKSA-N 418.331 5.027 0 40 HKAB COc1ccc(CC(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1C 223538037 HIEIPNBPZLZHRN-UHFFFAOYSA-N 411.954 6.131 0 40 HKAB COc1ccc(F)cc1S(=O)(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 223690101 YGNHICRABMCGBG-UHFFFAOYSA-N 415.530 5.103 0 40 HKAB CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 224084830 IPAPFJYIFXGMIM-LJQANCHMSA-N 416.587 5.050 0 40 HKAB Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c1 225052125 VIDILBGLUNHTTD-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2snnc2-c2ccc(Cl)cc2)cc1 225771961 GTWQDQUREYUHSF-UHFFFAOYSA-N 415.902 5.068 0 40 HKAB C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(Cl)ccc1OC21CCN(C(=O)OC(C)(C)C)CC1 257210213 BTRGOHIIGAEDMW-BJZITVGISA-N 407.938 5.358 0 40 HKAB COC(=O)c1ccc2c(c1)[C@H]1O[C@@H](C)[C@H](c3cccc(Cl)c3)C[C@@H]1C(C)(C)O2 257222314 DSUWXAQGERSQKY-TUTGDRGFSA-N 400.902 5.548 0 40 HKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cc(Cl)ccc2O)C1 257323868 WMDYXUHOKLYKCO-VWPQPMDRSA-N 405.897 5.308 0 40 HKAB S=C(NCc1ccccc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408575444 OHLLSKTYUCEMQX-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc2)cc1 408639713 HEUKATQIPDWMRJ-KRWDZBQOSA-N 420.896 5.432 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2cccc(C)c2)cc1 408696260 YVFRKGOWXCDDEX-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)c2ccccc21 409110188 TZESVNGZSKZUOU-MOSHPQCFSA-N 424.327 6.480 0 40 HKAB CCOc1ccc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)c2c(OCC)cccc12 409110971 AZJHDFKOHGCIDI-JWGURIENSA-N 415.533 6.180 0 40 HKAB CCOc1cc(CNc2ccccc2CC)cc(Cl)c1OCc1ccc(C)cc1 409116417 NQRPHIGGNFTFFX-UHFFFAOYSA-N 409.957 6.801 0 40 HKAB CCOc1c(Br)cc(-c2nc3ccccc3s2)cc1Br 409270732 HSGHUURKNWQCFN-UHFFFAOYSA-N 413.134 5.887 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H]([C@@]5(C)CCC(=O)O5)[C@@]4(C)CC[C@H]32)C1 1543020032 ZSUHSKYVVTXINZ-FZXMNSAFSA-N 414.586 5.593 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3C)n2-c2ccccc2)c1 869081 KPQZELWQBJDXNU-UHFFFAOYSA-N 414.534 5.282 0 40 HKAB CSc1c(CC(=O)Nc2ccc(F)cc2)n(Cc2ccccc2)c2ccccc12 1025827 USKOPWBFDBUXHH-UHFFFAOYSA-N 404.510 5.732 0 40 HKAB aggregator Cc1ccc(CN(CCc2nc3ccccc3[nH]2)C(=O)Nc2ccc(Cl)cc2)cc1 1360625 UKHDHBXRSFCCRS-UHFFFAOYSA-N 418.928 5.802 0 40 HKAB COc1c(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)ccc2ccccc12 2050862 BPSSCJXKVYQORE-UHFFFAOYSA-N 422.484 6.526 0 40 HKAB COc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Cl)c(Cl)c1)C(C)(C)N2 2053547 LWELCBGYESIJCS-PYCFMQQDSA-N 423.390 6.685 0 40 HKAB Cc1coc2cc3oc(=O)c(CCC(=O)NCc4ccc(Cl)cc4)c(C)c3cc12 2094415 OXHVPBVLAIKRGS-UHFFFAOYSA-N 409.869 5.058 0 40 HKAB biogenic O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1Cl 2135623 MJMCHPNXYWLNNO-UHFFFAOYSA-N 417.317 5.913 0 40 HKAB Clc1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c(Cl)c1 2263750 YEEMMWPOAWHNOS-UHFFFAOYSA-N 417.321 5.581 0 40 HKAB Cc1cccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)c1 2310085 RZVQFYIHNQMXHJ-UHFFFAOYSA-N 419.575 6.047 0 40 HKAB O=S(=O)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccco1 2478327 HHQMSXLBEPEYTI-UHFFFAOYSA-N 414.870 5.033 0 40 HKAB O=C(CCc1c[nH]c2ccccc12)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 2654937 VGMUOBGOPHCVMH-UHFFFAOYSA-N 416.333 6.170 0 40 HKAB Cc1ccc2nc(NC(=O)c3ccccc3OCc3ccccc3Cl)sc2c1 2663899 SKQDOKYKAVVMST-UHFFFAOYSA-N 408.910 6.089 0 40 HKAB O=C1c2ccccc2C(=O)N1c1cc(SC(F)(F)F)cc(SC(F)(F)F)c1 2675159 XDVUGNLCCQAQFT-UHFFFAOYSA-N 423.359 5.711 0 40 HKAB Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)c1ccccc1Br 2972353 JGCYPINQNDKRMQ-UHFFFAOYSA-N 424.323 5.682 0 40 HKAB COc1ccc(C)cc1-n1c(SCc2c(C)noc2C)nnc1-c1cccs1 3286788 ZBRNTIFCQNLSTR-UHFFFAOYSA-N 412.540 5.210 0 40 HKAB O=C(COc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCCc2ccccc21 3344927 PYGYFMXBJQFBQM-UHFFFAOYSA-N 410.473 5.367 0 40 HKAB CC[C@@]1(C)C[C@H]([C@@H](CCN(Cc2ccccc2)C(C)=O)c2ccc(OC)cc2)CCO1 4028184 SJNCWJQRIMYGPD-STXQHDJLSA-N 423.597 5.813 0 40 HKAB Cc1c(NC(=O)c2cc3ccccc3oc2=O)cccc1-c1nc2cccnc2s1 4063086 FVSIDTGOENLRTC-UHFFFAOYSA-N 413.458 5.025 0 40 HKAB COc1cc(CNC(C)(C)CO)cc(Cl)c1OCc1ccc(Cl)cc1Cl 4657413 ILIXWBURLOOXBK-UHFFFAOYSA-N 418.748 5.095 0 40 HKAB CCCN(C(=O)c1ccccc1OC)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880801 ARTCTKMJWJATOT-UHFFFAOYSA-N 409.555 5.568 0 40 HKAB O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 5170737 AHZBEUYMQWDHTQ-UHFFFAOYSA-N 404.882 5.745 0 40 HKAB COc1cc(C(C)=O)ccc1O[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 5194349 NMSGAOXEQYLXQO-XMMPIXPASA-N 403.478 5.273 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)c(C)c1 5516278 KUAFDYRCPVDPOT-MRXNPFEDSA-N 419.546 6.128 0 40 HKAB Cc1ccc(Cn2c([C@H](C)NC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1 5545738 YHYMBZZYSUZGSV-KRWDZBQOSA-N 403.913 5.537 0 40 HKAB COc1cc(C)c(/C=C2\NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1C(C)C 5792828 ISVVDJHSTDTNGC-WQRHYEAKSA-N 400.931 5.043 0 40 HKAB CCc1cccc2c(C(=O)CSc3nnc(C4CC4)n3-c3ccccc3)c[nH]c12 6128601 JHEYMCCYXYFWPR-UHFFFAOYSA-N 402.523 5.163 0 40 HKAB c1ccc2c(Cn3c(COc4cccc5ccccc45)nc4ccccc43)cccc2c1 6565890 OZSJLQDTEXSGTI-UHFFFAOYSA-N 414.508 6.970 0 40 HKAB COc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 6953580 BDABSFGSPFFSBJ-QINSGFPZSA-N 411.383 5.050 0 40 HKAB CCCCNCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 7261624 WLDGLRUYUYYQFO-UHFFFAOYSA-N 412.755 5.580 0 40 HKAB CCc1cccc(C)c1NC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 7754665 OKBCIZATFWSGFA-UHFFFAOYSA-N 412.584 5.500 0 40 HKAB Cc1nc(-c2ccc(CNC(=O)c3ccc(Br)cc3F)s2)cs1 7821686 VFUPWICLPIPHFR-UHFFFAOYSA-N 411.321 5.012 0 40 HKAB CCc1ccc(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)C(C(=O)OC)=C2C)cc1 8085589 SUXRNTFBESSJPS-JWGURIENSA-N 403.522 5.424 0 40 HKAB O=C(CN(C1=NCCCCC1)c1ccc(Cl)cc1)c1ccc(Br)cc1 8418612 ZBMFLAXIWCAMIQ-UHFFFAOYSA-N 419.750 5.764 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc(C)c1Cl 8586770 ZAFHFSOHIGJYSZ-MRXNPFEDSA-N 420.896 6.171 0 40 HKAB COc1cccc(-c2nc(CSc3ccc4c(c3)OCCCO4)cs2)c1OC 9052525 CTTNRJUECMCHDV-UHFFFAOYSA-N 415.536 5.281 0 40 HKAB Cc1noc(C)c1COC(=O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 9244594 HGENGHSLLCJIAX-UHFFFAOYSA-N 422.264 5.126 0 40 HKAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1C 9251036 SMCXXMSGCGCJOT-KRWDZBQOSA-N 402.519 5.986 0 40 HKAB Cc1ccccc1NC(=O)Cc1nc(CSc2cc(C)c3ccccc3n2)cs1 9492708 CKZIFJKUJUSXLA-UHFFFAOYSA-N 419.575 5.782 0 40 HKAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c(Cl)c1Cl 10111950 GVGIVEFMWFBNEG-GFCCVEGCSA-N 416.370 5.339 0 40 HKAB O=C(/C=C/c1cccs1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 10187652 GMBCMSAPWHDHEO-VOTSOKGWSA-N 413.474 5.278 0 40 HKAB CCOc1cccc2cc(-c3csc(NC(=O)/C=C/c4ccccc4Cl)n3)oc12 10749832 ROUMXXPLQTZMAD-ZHACJKMWSA-N 424.909 6.260 0 40 HKAB CCCCc1noc([C@@H](C)Sc2nnc(-c3ccoc3C)n2-c2ccccc2)n1 12527643 FTQYRYITJYCJTH-OAHLLOKOSA-N 409.515 5.415 0 40 HKAB C[C@@H](N[C@H](C)c1ccco1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 12819729 YPCWSPVXXRAYII-HZPDHXFCSA-N 405.523 5.158 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CN[C@H](C)c3ccccc3Cl)ccc21 13039926 CHHJFZCLBIJVLT-MRXNPFEDSA-N 405.929 5.757 0 40 HKAB CN(C)[C@@H](CNc1ncnc2sc3c(c12)CCCC3)c1c(F)cccc1Cl 13040024 OKWZNQZHBWIXPX-HNNXBMFYSA-N 404.942 5.077 0 40 HKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(C(C)C)cc3)CC2=O)c1 13063056 SGVFULCLTGVTDA-HSZRJFAPSA-N 423.560 6.037 0 40 HKAB CCOCCn1/c(=N/C(=O)c2ccc(Cc3ccccc3)cc2)sc2ccccc21 13100711 WSULMIQFFYUHLV-QPLCGJKRSA-N 416.546 5.071 0 40 HKAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)Nc1ccc(Cl)cc1Cl 13331264 AAAQICSONJDNNW-UHFFFAOYSA-N 407.276 5.638 0 40 HKAB CC(C)=CCC[C@@]1(C)C=Cc2c(ccc([C@@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)O1 14690611 PCZZLTRWCMPYNK-OFVILXPXSA-N 422.477 5.421 0 40 HKAB biogenic COc1cc([C@H]2CC(=O)Nc3sc4c(c32)CC[C@H](C(C)(C)C)C4)cc(OC)c1O 15107007 BYTFMTNRIZAHAL-DZGCQCFKSA-N 415.555 5.096 0 40 HKAB CN(C(=O)Nc1cccc2ccccc12)c1ccc(Cl)cc1C(=O)c1ccccc1 16188748 MWVMWPZSVTUUCF-UHFFFAOYSA-N 414.892 6.393 0 40 HKAB COc1cc(CNCc2ccccc2Cl)ccc1OCc1ccc(F)cc1Cl 16214757 POSFCIVQQDLPEX-UHFFFAOYSA-N 420.311 6.010 0 40 HKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Cc1ccsc1 16680395 ABLDBJJWFSYPLV-UHFFFAOYSA-N 421.953 5.455 0 40 HKAB O=C(NC(=S)Nc1ccc2c3c(cccc13)CC2)c1cccc2c(Cl)cccc12 17090904 KOWAWFOGZPEHRL-UHFFFAOYSA-N 416.933 5.872 0 40 HKAB CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)cc1 18155761 XDWCGPUWZGYRIC-SZPZYZBQSA-N 417.505 5.049 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Nc1cccc(C)c1)CC2 18174522 ZOLKJZISURGBFF-JOCHJYFZSA-N 408.523 5.253 0 40 HKAB CC(C)c1ccc(Nc2ncccc2C(=O)Nc2cccc(Br)c2)cc1 22072642 KFTYEZWKONZSSA-UHFFFAOYSA-N 410.315 5.963 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2cccc3ccccc23)cc1OCC 22530333 UTFLGBYZIYAUGK-PGRDOPGGSA-N 421.537 5.672 0 40 HKAB CC(C)N(CCN[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)C(C)C 22776742 IQRCVAQGLRNWME-NRFANRHFSA-N 421.507 5.094 0 40 HKAB CN(C)[C@@H](CNCc1cn(-c2ccccc2)nc1-c1cccs1)c1cccs1 24981541 FUWTXGAZVFQWAD-IBGZPJMESA-N 408.596 5.055 0 40 HKAB O=C(Nc1ccccc1F)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 28539323 DNLLQBVDCDNRPV-UHFFFAOYSA-N 419.459 6.355 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(C)c(F)c4)cc3)n2)cc1 32578655 VTXDQTHYOZPHMI-UHFFFAOYSA-N 417.440 5.177 0 40 HKAB C=CCOc1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC 34865080 MEXPCXXGCPNBNQ-UNOMPAQXSA-N 415.898 5.544 0 40 HKAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(Cl)c2Cl)c1 34930624 VGPULTWIQHLWJC-UHFFFAOYSA-N 424.353 5.249 0 40 HKAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCc3ccccc3C2)cc1Cl 35529850 KLBODHUJHNBQGU-QHCPKHFHSA-N 406.913 5.087 0 40 HKAB CC(C)CCCCCC[C@]1(C(=O)O)CCCC[C@@]1(CCCCCCC(C)C)C(=O)O 38799460 OLAQBFHDYFMSAJ-WMPKNSHKSA-N 424.666 7.696 0 40 HKAB Cc1cc(C)nc(Nc2nc(-c3ccc4ccccc4c3)cn2-c2ccc(Cl)cc2)c1 40385426 ZRWDBSACFFHLSI-UHFFFAOYSA-N 424.935 7.101 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 44937247 WEZWNVFSVHXFNL-VWLOTQADSA-N 408.586 5.119 0 40 HKAB Cc1ccc(OCc2nnc(S[C@H](c3ccccc3)c3ccccc3C)o2)cc1 58733495 MTDGTLKVLLEZMH-HSZRJFAPSA-N 402.519 6.147 0 40 HKAB CCCCc1ccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)cc1 64872330 JHWAZSROCIPKIG-UHFFFAOYSA-N 418.537 6.940 0 40 HKAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72214685 NIFYVGWXDMNTFV-FQEVSTJZSA-N 409.530 5.210 0 40 HKAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1)C1CCC1 72215469 JDMSZGZHLNNEGR-HSZRJFAPSA-N 421.585 6.103 0 40 HKAB CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccnc3ccccc23)C1 72352490 RMATXIAXRNDATK-GOSISDBHSA-N 415.562 5.141 0 40 HKAB CC(C)(CC(=O)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1ccccc1 84325837 NDGUJTIMSHBRHV-QHCPKHFHSA-N 413.521 5.036 0 40 HKAB O=C(OCc1nc2ccccc2o1)c1cccnc1Oc1ccc(Cl)cc1Cl 84600390 QVGAAIXGRWOWOA-UHFFFAOYSA-N 415.232 5.679 0 40 HKAB Clc1ccc(-c2nc3n(n2)[C@H](c2ccc(Cl)cc2)C=C(c2ccccc2)N3)cc1 100837528 PNHVHHBMKGFQCA-NRFANRHFSA-N 419.315 6.308 0 40 HKAB c1ccc([C@]23O[C@](c4ccccc4)(c4ccccc42)[C@H]2[C@@H]4C[C@H](c5ccccc54)[C@@H]23)cc1 104105427 QYSQHRVUKYBKNG-PARJUNQGSA-N 412.532 6.735 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118912620 LZHRRGGNNXYJOT-OOAPZQTCSA-N 402.663 6.360 0 40 HKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 209940303 CYJSNZBHAMEETA-PKTZIBPZSA-N 414.509 5.189 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 219354975 WEBMYOBRIKSVQF-LJQANCHMSA-N 421.522 5.157 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccc(-c2nc3ccccc3[nH]2)cc1 225258967 LTUNUXWOZNQDFD-UHFFFAOYSA-N 421.525 6.633 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 225502153 SVPOINSFPXXOEO-DHIUTWEWSA-N 423.553 5.150 0 40 HKAB FC(F)(F)c1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)cc1 225609810 SYRJRVPKZDJCFM-UHFFFAOYSA-N 418.937 5.969 0 40 HKAB C[C@H]1CCCN(CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)C1 225736454 FOTDEVJYPQICMW-IBGZPJMESA-N 413.656 5.387 0 40 HKAB CC(C)(C)c1ccccc1OCC(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225876173 YZSFPCFOSIYHEG-UHFFFAOYSA-N 401.919 5.174 0 40 HKAB CN(Cc1ccccc1)[C@@H]1CCC[C@@H](Oc2ccccc2Oc2ccccc2)[C@@H]1O 257317020 VIAISEZDPXDNRI-DNRSQYFGSA-N 403.522 5.272 0 40 HKAB CC1=CC[C@]2(C)C(=O)C(O)=C([C@H](C)CO)[C@H]2CC=C(C)[C@@H](O)CCC(C)=CCC1 299813574 UTGBBPSEQPITLF-HSGJQSDISA-N 402.575 5.186 0 40 HKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1C 408555741 IEKHMZAEKSYHBN-UHFFFAOYSA-N 412.892 5.726 0 40 HKAB CCOc1cc(C(=S)NCc2ccccc2C)ccc1OCc1ccc(F)cc1 408571601 BVJALZMRDOJAKI-UHFFFAOYSA-N 409.526 5.577 0 40 HKAB CCc1sc2nc(SCc3ccccc3F)n(-c3ccc(C)cc3)c(=O)c2c1C 409114417 HGESQRIRKADUGT-UHFFFAOYSA-N 424.566 6.058 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)c(C)c1 409115461 RRTYYDICHDGCDW-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1 409342141 ADIWJMNZTCWSCL-WOJGMQOQSA-N 414.914 5.138 0 40 HKAB O=C(O)Cc1c(-c2ccccc2)oc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c12 524731081 JRLUNTAJVFGHAJ-UHFFFAOYSA-N 412.397 5.206 0 40 HKAB biogenic O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 524734323 SUNUHQFYHRDBKA-UHFFFAOYSA-N 412.493 5.767 0 40 HKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5cccc(NC(N)=O)c5)(C4)C2)C3)cc1C 626477947 FCJQXQWVRIKRJQ-JKRLWXMKSA-N 417.553 5.271 0 40 HKAB Cc1cccc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)c1 722702 DTABQAXNURBSRW-UHFFFAOYSA-N 408.457 5.974 0 40 HKAB O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)c2cc(Br)c3ccccc3c2N1 861537 JGQLHHQNSMXVRZ-HNNXBMFYSA-N 420.228 6.095 0 40 HKAB COc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)SCc2ccco2)cc1OC 945403 VYGBWSQSCQKLTI-JOCHJYFZSA-N 416.926 6.198 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1oc2ccccc2c1C 1241088 YJGGKFBLCHPMEE-UHFFFAOYSA-N 419.502 6.207 0 40 HKAB Cc1ccccc1NC[C@@H](C)Sc1ncc(-c2ccc(Br)cc2)[nH]1 1350518 RTPHXAAHGGFUJB-CQSZACIVSA-N 402.361 5.740 0 40 HKAB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1 1418702 HAYQBIRLFWSRKK-UHFFFAOYSA-N 415.836 6.056 0 40 HKAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2cccc(F)c2)CO4)cc1 2121080 SJWXZCPFSPPMKZ-UHFFFAOYSA-N 417.436 5.273 0 40 HKAB biogenic O=C(O[C@@H](Sc1nc2ccccc2s1)c1ccccc1)c1ccc(Cl)cc1 2275625 HESRHFQWBCKQES-FQEVSTJZSA-N 411.935 6.598 0 40 HKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1cc(Cl)cc(Cl)c1 2395749 ABZIFIAEGBLBDI-UHFFFAOYSA-N 424.378 5.608 0 40 HKAB Cc1sc2ncnc(SCc3ccc(Cl)c(Cl)c3)c2c1-c1ccccc1 2679418 UHEVRHZIWIOGJF-UHFFFAOYSA-N 417.386 7.266 0 40 HKAB COc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 2714772 WNNXTZZGZNJLPI-UHFFFAOYSA-N 410.452 5.979 0 40 HKAB C[C@H]1C[C@H](C)CN(C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)C1 2750430 BTOINODYNDCPMZ-HOTGVXAUSA-N 423.354 5.782 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5ccn(C(F)F)n5)nc4c23)C1 2798106 WZIHXGRAXRIZRS-LLVKDONJSA-N 416.501 5.139 0 40 HKAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2c(Cl)cccc2Cl)c1Cl 3231757 IGSNXXPQEWKWGE-UHFFFAOYSA-N 407.080 5.404 0 40 HKAB CCCn1c(C)cc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)c1C 3314066 XLKWNTNMWRNQBB-UHFFFAOYSA-N 405.325 5.940 0 40 HKAB COc1ccc(CCN(C)C(=S)Nc2ccc(Oc3ccccc3)cc2)cc1OC 3328472 OATOCBCCMHKQPF-UHFFFAOYSA-N 422.550 5.367 0 40 HKAB Cc1cc(C(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1OCc1ccccc1 3339833 RRABANNNAOYIDR-UHFFFAOYSA-N 411.501 5.662 0 40 HKAB O=C(CSC1=N/C(=C/c2ccc(F)cc2)C(=O)N1c1ccccc1)c1ccccc1 4076529 HXOVBFCYGUJXAD-RCCKNPSSSA-N 416.477 5.186 0 40 HKAB COc1cc([C@H]2OC[C@@H]3[C@H](C)C=C(C)[C@H]2[C@@H]3C)ccc1OCc1ccc(C(=O)O)cc1 4111163 MWCFKMDOPSZIPZ-OQOVHOIHSA-N 422.521 5.508 0 40 HKAB CC[C@@H](NS(=O)(=O)c1ccc(Cl)c2ccccc12)C12CC3CC(CC(C3)C1)C2 4580383 SAXWMQLJKVDLJD-FOOFDJGMSA-N 418.002 5.767 0 40 HKAB O=C(COC(=O)CCC1CCCC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 4863523 OFKHHSMKTBNCFB-UHFFFAOYSA-N 413.901 5.023 0 40 HKAB CC(C)c1ccc([C@@H]2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccccc2)cc1 4933860 MENMSPRRDBOZSF-RUZDIDTESA-N 411.480 6.089 0 40 HKAB CCOC(=O)c1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(C)cc4)c3c2c1 4970083 FUNSBTLLNKSSRR-UHFFFAOYSA-N 421.500 6.034 0 40 HKAB O=C(Nc1sc(NC(=O)c2cccs2)nc1-c1cccs1)c1ccccc1 4996789 NDBVOVVJVPXGEA-UHFFFAOYSA-N 411.533 5.438 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2cccc(Cl)c2)o1 5170554 NBKCGKKKSHOFNQ-UONOGXRCSA-N 415.946 6.023 0 40 HKAB CCCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cc(C)ccc1C 5180297 PBDBDZYWKWIPFK-UHFFFAOYSA-N 412.559 5.040 0 40 HKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)cc1 5460783 WAUJEQJQNKMUIS-JOCHJYFZSA-N 409.533 5.530 0 40 HKAB CCCCCC[C@H](C)OP(O[C@@H](C)CCCCCC)O[C@@H](C)CCCCCC 5743037 CWMBGKXLZCXEIX-HJOGWXRNSA-N 418.643 9.340 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(OC(C)C)cc1 6049761 KQEMDSAPUXIDQN-UHFFFAOYSA-N 418.518 6.011 0 40 HKAB Cc1noc(C)c1CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1 6148278 GMNXUTYSFBAVKC-UHFFFAOYSA-N 422.554 5.781 0 40 HKAB CCCCOc1ccc(-c2nnc(-c3sc4cccc(Cl)c4c3Cl)o2)cc1 6481110 YWCYVIAVSLJXRZ-UHFFFAOYSA-N 419.333 7.104 0 40 HKAB Clc1ccc(OCc2nnc(SCc3ccccc3)n2Cc2ccco2)cc1 6532494 ZFKSHIRCUHZHDV-UHFFFAOYSA-N 411.914 5.444 0 40 HKAB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(Cl)cc1Cl 6615760 GYCAYROUEMLDAL-UHFFFAOYSA-N 408.354 5.111 0 40 HKAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(C(C)(C)C)cc1 6752977 ORKYWVXYPKQRAD-HSZRJFAPSA-N 403.526 5.425 0 40 HKAB aggregator Cn1c(-c2ccccc2)c([C@H]2c3ccccc3C(=O)N2C2CCCCC2)c2ccccc21 6896155 GLZNSCMAFQGSFB-MUUNZHRXSA-N 420.556 6.723 0 40 HKAB CCOc1cc(C)c(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1C(C)C 6958328 FQPVRUVEECHSIH-WSDLNYQXSA-N 420.534 5.625 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1 6966138 QGDGWXMGESHRHX-MHZLTWQESA-N 404.513 6.361 0 40 HKAB CCOc1ccc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1 7062352 YLVQKBFYZWSGRY-UHFFFAOYSA-N 405.281 5.266 0 40 HKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 8041069 ZOZMWZWDDVDGPR-HNNXBMFYSA-N 403.103 5.552 0 40 HKAB Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)n2c(C)ccc2C)cc1 8475586 HPLJEVCKFSBYTC-UHFFFAOYSA-N 415.320 5.381 0 40 HKAB Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccccc3s2)cc1 9450038 NCOCULQASFGKQM-NRFANRHFSA-N 424.481 5.461 0 40 HKAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N[C@H](C)c1ccc(F)cc1 9647140 OPZWCDIIHZKXNX-NEPJUHHUSA-N 423.435 5.146 0 40 HKAB COc1cccc2cc(-c3csc(NC(=O)c4ccc(OC(C)C)cc4)n3)oc12 10748451 BLGSVKUYOHIIOO-UHFFFAOYSA-N 408.479 5.604 0 40 HKAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 12911886 MZBMGAILLFHLLW-UHFFFAOYSA-N 421.255 5.103 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1[C@H](C)Oc1ccccc1 13850077 ATBYMBMREZRSDF-KRWDZBQOSA-N 424.570 5.292 0 40 HKAB CCn1nccc1NC(=O)Cc1csc(-c2cccc(Oc3ccccc3)c2)n1 14171458 YJJAMCUNLNTHRV-UHFFFAOYSA-N 404.495 5.000 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 15189126 FXYKRCPJRVDUGM-GXDHUFHOSA-N 407.813 5.362 0 40 HKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(C(C)C)cc4)c3)oc2c1 15828417 DYHWUDKRXMESQC-UHFFFAOYSA-N 404.897 6.832 0 40 HKAB CC(=O)c1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 16023427 KIORRIOUTZSUIZ-UHFFFAOYSA-N 402.475 5.575 0 40 HKAB Cc1ccc(C)c(CSc2nnc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)o2)c1 16039305 OZOFMCSXXMDDSS-QGZVFWFLSA-N 405.564 5.591 0 40 HKAB Cc1[nH]c2ccccc2c1CCN(Cc1ccco1)C(=S)Nc1ccc(Cl)cc1 16977679 ZJKHWXHUQUQJEY-UHFFFAOYSA-N 423.969 6.164 0 40 HKAB Cc1ccc(C)c([C@H](NC(=O)C[C@H](C)n2nc(C)c(Cl)c2C)c2ccncc2)c1 19132205 GEWSFMRZMMIORZ-QMHKHESXSA-N 410.949 5.022 0 40 HKAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cccc2c(Cl)cccc12 20139020 XCDFZACPFXRDSX-UHFFFAOYSA-N 412.272 6.151 0 40 HKAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2cccc3ccccc23)o1 21545389 GBMIXWHORTXJQX-UHFFFAOYSA-N 405.479 5.019 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 21579425 JPBVOZJCBAMKPN-UHFFFAOYSA-N 402.450 5.083 0 40 HKAB COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccccc2)cc1 23343332 NTFKKNMXOJQWLB-RWEWTDSWSA-N 404.853 5.580 0 40 HKAB COc1ccc([C@@](O)(c2ccc(C)cc2)[C@@H](CN2CCCCC2)c2ccccc2)cc1 27241108 FKJYZKASQVGULX-NSOVKSMOSA-N 415.577 5.509 0 40 HKAB O=C(c1cc(=O)c2cc(Cl)cc(Cl)c2o1)N1CCC(Cc2ccccc2)CC1 27792948 IAEMWQJSLQBPGJ-UHFFFAOYSA-N 416.304 5.195 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1 29458899 KBJQNCYDSHVZGD-UHFFFAOYSA-N 415.424 5.358 0 40 HKAB COc1ccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1Br 32880023 HVKNDMZTCQRSSS-UHFFFAOYSA-N 412.686 5.055 0 40 HKAB Cc1noc([C@@H](C)Sc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)n1 32905972 RZJCNTPXHRNDIL-GFCCVEGCSA-N 418.444 5.648 0 40 HKAB Cc1ccc(CSCCNC(=O)c2ccccc2SCc2cscn2)cc1 32906145 UVVZUBNSASASLN-UHFFFAOYSA-N 414.621 5.407 0 40 HKAB CCOc1ccc(-c2ccc(SCc3nc(-c4ccc(F)cc4)no3)nn2)cc1 33262492 NJTKBXSQERZEHW-UHFFFAOYSA-N 408.458 5.024 0 40 HKAB COc1ccc(C(=O)c2sc3nc4c(c(-c5cccnc5)c3c2N)CCCC4)cc1 35325945 MHNPZMODOOAXHH-UHFFFAOYSA-N 415.518 5.059 0 40 HKAB Cc1[nH]c2ccccc2c1CC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 40094782 ZICXAPHTWROUBD-QGZVFWFLSA-N 411.505 5.149 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1Cl 49005071 NDZMTBJRUPDQCE-INIZCTEOSA-N 408.933 5.740 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCC(C)C)cc2)cc1C 59483709 BGCCKOGPCRNHRE-RUZDIDTESA-N 400.522 6.109 0 40 HKAB COc1cc(/C=C/C(=O)OC(C)C)ccc1OCc1ccc(Br)cc1 62715741 LRGYSDPHDZCMNV-YRNVUSSQSA-N 405.288 5.002 0 40 HKAB O=c1oc2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1-c1ccccc1Cl 64219940 ZNCBVPACUDLOCI-UHFFFAOYSA-N 401.676 7.087 0 40 HKAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(F)c(Cl)c2)n1 67297948 AKKHLJXRQCBPAQ-ROMGYVFFSA-N 423.831 5.119 0 40 HKAB c1ccc2cc3c(cc2c1)C1c2cc4ccccc4cc2C3c2cc3ccccc3cc21 68568338 CAOKTVXDEUQWNX-UHFFFAOYSA-N 404.512 8.133 0 40 HKAB biogenic O=c1c2sccc2nc(SCc2cc(F)cc(F)c2)n1Cc1ccc(F)cc1 71327572 FREVHFRCUGNXLE-UHFFFAOYSA-N 418.465 5.216 0 40 HKAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cccc(Br)c1 72229862 LFYOZRIHSMHLQW-LJQANCHMSA-N 416.702 5.437 0 40 HKAB O=C(Nc1ccc(Sc2nncs2)cc1)C1(c2cccc(F)c2)CCCCC1 95954850 SWGPTJZPZMIJKM-UHFFFAOYSA-N 413.543 5.669 0 40 HKAB N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1[C@@H]1CCCc2ccccc21 102721745 OQBNPFGNLHPEJP-LJQANCHMSA-N 421.953 6.103 0 40 HKAB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1C 214443411 MHUXKWMIGYNVQA-CAOOACKPSA-N 408.306 5.547 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219387224 YOTTZOMBCSOGEQ-QUCCMNQESA-N 403.975 5.938 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1Cl 222848186 JKGASVREZYJWCC-BALBBAFXSA-N 423.984 6.522 0 40 HKAB COc1cc(C)c(S(=O)(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1C(C)C 224139192 BJHNXMGUHARHTB-IBGZPJMESA-N 417.571 5.016 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1cccc(Cl)c1 224485960 YVWOCOFPXYNVKX-UHFFFAOYSA-N 409.913 5.556 0 40 HKAB Cc1cccc(CN(C(=O)Cc2cc(C)ccc2C)[C@H](C)C(=O)NC2CCCCC2)c1 224726009 HNRFIQHMRMUFQU-JOCHJYFZSA-N 420.597 5.021 0 40 HKAB O=C(NCc1ccc(Cl)cc1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224958531 HVCWONQVFGZHKC-UHFFFAOYSA-N 423.299 6.245 0 40 HKAB Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 225026263 GFBFCQCBJVDCIT-FCHUYYIVSA-N 407.514 5.396 0 40 HKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C 225029123 OCFVYPDBPUGZIX-RUZDIDTESA-N 420.597 5.102 0 40 HKAB Cc1ccccc1C(=O)N1CCS/C1=C/c1csc(NCc2ccccc2)n1 225256690 OFHSFQNAQBBQHF-DEDYPNTBSA-N 407.564 5.251 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 225502190 SVPOINSFPXXOEO-PKTZIBPZSA-N 423.553 5.150 0 40 HKAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1Cl 225518392 PZXJNDMWQZXMME-OAHLLOKOSA-N 405.897 5.343 0 40 HKAB COc1ccccc1Cn1c(SCC(C)C)nc2c(-c3ccccc3)c[nH]c2c1=O 225543821 KVVULFVAOCIBOR-UHFFFAOYSA-N 419.550 5.197 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225580695 MKNBQYOKHPJSOU-UHFFFAOYSA-N 414.830 5.349 0 40 HKAB COc1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)cc1Cl 225609489 BSWUYUDVJYXGES-UHFFFAOYSA-N 415.411 5.612 0 40 HKAB Cc1ccc([C@H](NC(=S)Nc2ccc(C(=O)N(C)C)cc2)c2ccccc2)c(C)c1 225769467 SXPSSYCPSXFNIM-HSZRJFAPSA-N 417.578 5.081 0 40 HKAB COc1ccc(C2(NC(=S)Nc3cccc(Br)c3)CCCC2)cc1 225845572 GAIWJPVIEOLTNX-UHFFFAOYSA-N 405.361 5.214 0 40 HKAB O=C(c1cccc2c(Cl)cccc12)N1c2ccccc2Sc2ccc(Cl)cc21 226363036 SJBHMPZRTGZSBU-UHFFFAOYSA-N 422.336 7.590 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(OC(C)C)c(Cl)c3)N21 260753030 AWSZUYBYEFKXKB-YSGRDPCXSA-N 401.963 5.502 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCN3CCC[C@H](C)C3)cc2)CCCCCC1 260814630 LQFSJUQKGAKSJR-NRFANRHFSA-N 416.606 5.255 0 40 HKAB S=C(NCc1ccccc1Cl)c1cccc(OCc2ccc(Cl)cc2)c1 408576606 PZQGJYLGKDLMDY-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cc(Cl)ccc3C)n2)cc1 408696123 WLZHQUXGFDFRIK-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CC(C)COc1ccc(-c2nc(O)c3c4c(sc3n2)CCCC4)c2ccccc12 408733861 BLPLJHCEBWVDMS-UHFFFAOYSA-N 404.535 6.131 0 40 HKAB Cc1ccc(-c2nc(Nc3cccc(Cl)c3Cl)sc2CC(=O)O)c(C)c1 408885478 ANPYKKLTZIMVFV-UHFFFAOYSA-N 407.322 6.104 0 40 HKAB COc1c(Cl)cc(Cl)cc1C[C@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O 409144534 KOLSDOKMKCZLTM-CQSZACIVSA-N 416.713 5.467 0 40 HKAB Cc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409178725 HVUQFMLULNUMCY-BUFOOBCNSA-N 422.572 6.222 0 40 HKAB Fc1ccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 409198540 BVPMTUIXFIQAMQ-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB CCOc1cc(C)ccc1OCc1nnc(SCc2ccc(Cl)cc2)n1C 409343750 GFTCYTKSHJNLIR-UHFFFAOYSA-N 403.935 5.047 0 40 HKAB CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1 409377869 LULBQGGCRKTLNW-UHFFFAOYSA-N 410.901 5.368 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(CC)cc23)cc1 2079821 XFWQYNWAOADRQJ-UHFFFAOYSA-N 424.500 5.893 0 40 HKAB CC(C)(C)OC(=O)NCCCCCc1nnc(SCc2cccc(Cl)c2)o1 2379358 NDUDTPNCMDYXBE-UHFFFAOYSA-N 411.955 5.253 0 40 HKAB C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 2386666 MVSPILBGBFHXGP-VIFPVBQESA-N 404.319 5.254 0 40 HKAB CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1Cl 2393689 IFHDANWTJZNZLM-SIBVEZHUSA-N 416.285 5.471 0 40 HKAB CCOc1ccccc1Oc1c(C)oc2cc(OCc3ccccc3C)ccc2c1=O 2426228 SMZCOXIKMZMCCU-UHFFFAOYSA-N 416.473 6.180 0 40 HKAB biogenic C[C@H](NC(=O)c1ccc(COc2ccccc2Br)cc1)c1ccccc1 2754522 DYNJCDQEVKFTBG-INIZCTEOSA-N 410.311 5.519 0 40 HKAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)Nc1cccc(C(F)(F)F)c1 3211342 SLTACMOCNOGSMX-UHFFFAOYSA-N 415.419 5.334 0 40 HKAB O=c1cc(-c2ccccc2)c2cc(Cl)c(OCc3ccc(F)cc3Cl)cc2o1 3256011 RPMFADZPXJSHDE-UHFFFAOYSA-N 415.247 6.485 0 40 HKAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Oc1ccc2c(c1)OCO2 3304906 LCDIXTBBHHUWLW-KRWDZBQOSA-N 415.795 5.130 0 40 HKAB FC(F)Sc1ccc(NC(=S)NN(c2ccccc2)c2ccccc2)cc1 3360175 YLOGGCKDHFRYHJ-UHFFFAOYSA-N 401.507 6.041 0 40 HKAB O=c1c(-c2ccccc2)c(O)[n+](-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 3958148 ZCBCFVIKPJMAHR-UHFFFAOYSA-O 417.488 5.154 0 40 HKAB CC1CCN(C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1 4474852 NUGOWOVMYCONBC-UHFFFAOYSA-N 407.517 5.836 0 40 HKAB Cc1ccc(-n2nc(-c3ccccc3)c3cnc4cc(C(F)(F)F)ccc4c32)cc1 4970006 KGFQOZAMWNRUNW-UHFFFAOYSA-N 403.407 6.568 0 40 HKAB COc1ccc(C(=O)N(c2ccc(F)cc2)c2nc3ccccc3s2)cc1OC 4980027 XEFONVPDJWSIIW-UHFFFAOYSA-N 408.454 5.431 0 40 HKAB CCCCN(C(=O)c1ccccc1Cl)c1nnc(-c2ccc(OCC)cc2)s1 4982611 CUOKMQVFBZVYLP-UHFFFAOYSA-N 415.946 5.704 0 40 HKAB CCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2cccs2)c2ccccc2)C[C@@H]1C 5484851 SPCRETWFWXOSRM-UWJYYQICSA-N 404.535 5.671 0 40 HKAB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc1 5632607 OWNUEULZUOCZNK-UHFFFAOYSA-N 404.897 6.698 0 40 HKAB CCCCCCC1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccc(Br)cc1 5711669 AYYGBVVORHXHFQ-RBBKRZOGSA-N 413.359 6.614 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2C)c(C)c1 6368701 JOROIVDNBLMJRV-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB C[C@H]1C[C@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 6755171 ALPRRIBTOUMOIX-JTSKRJEESA-N 400.478 5.203 0 40 HKAB Cc1nc(S[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)n(C2CCCC2)c1C 7140269 MMMIWFFWZGHFHA-AWEZNQCLSA-N 402.589 5.383 0 40 HKAB CCOc1cccc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1 7539374 QEYPVVCXWSTWJV-NVUQSHBQSA-N 419.609 6.359 0 40 HKAB O=C(CCNC(=O)Nc1ccccc1)Nc1cccc(-c2nc3ccccc3s2)c1 7737954 DSWADAPHXDMJPO-UHFFFAOYSA-N 416.506 5.114 0 40 HKAB O=C(Nc1ccnn1Cc1cccs1)[C@H](Sc1ccccc1)c1ccccc1 7987724 XOCLIZXTJHDJNG-OAQYLSRUSA-N 405.548 5.465 0 40 HKAB Cc1ccc(COc2cccc3ccc(N4CCC(Cc5ccccc5)CC4)nc23)cc1 8769512 CURGLLLCDCGYJF-UHFFFAOYSA-N 422.572 6.581 0 40 HKAB N=C1S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1nccs1 8780836 DNGSNVWSCDBDOC-PXWOKZSGSA-N 416.531 5.202 0 40 HKAB O=C(c1ccc(F)cc1)n1ccc(-c2cccc(OCc3c(F)cccc3Cl)c2)n1 8782102 IKKUUZQDNMBDBI-UHFFFAOYSA-N 424.834 5.749 0 40 HKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5)o4)ccc3o2)cc1 8903012 RUGXTMZNZMDNHW-UHFFFAOYSA-N 422.484 7.131 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)c1 8921261 YXAORNJSCIKMPG-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB CSc1nc(=O)c2c3c(sc2[nH]1)[C@H](c1ccccc1)S[C@@H](c1ccccc1)C3 9043899 POUIJHJIIZDENG-AEFFLSMTSA-N 422.600 5.827 0 40 HKAB CSc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 9239283 KWVIYOMPGUVJHL-QHCPKHFHSA-N 402.563 6.477 0 40 HKAB Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(Cl)cc2)N(c2ccc(F)cc2)C3=O)cc1 9308347 ONXGPYABGOTYPQ-HSZRJFAPSA-N 417.871 5.927 0 40 HKAB CCOc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3ccc(OC)cc3)C[C@H]21 10215664 XXDXXNVXWIGLKQ-OFNKIYASSA-N 406.507 5.398 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3Cl)c3c(C)noc3n2)s1 10642178 QRKWRCVWROMKFR-UHFFFAOYSA-N 401.850 5.613 0 40 HKAB Cc1cc(-c2cc(C(=O)N3CCc4sccc4C3)c3cnn(C(C)C)c3n2)c(C)o1 10924787 IXXVGWIFQIJBRZ-UHFFFAOYSA-N 420.538 5.149 0 40 HKAB O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CCN(Cc2cccc(O)c2)CC1 12303608 UUSRMAHYNDNYBW-UHFFFAOYSA-N 404.485 5.049 0 40 HKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@@H](c2ccccc2Cl)N1 12574481 XDEGGNAXHGDGBD-OAQYLSRUSA-N 417.921 5.872 0 40 HKAB CC(C)=CCC/C(C)=C\COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 12660307 STKDKIMOAYXKMF-HKWRFOASSA-N 402.534 6.764 0 40 HKAB biogenic CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(Cl)cc(Cl)c1 12749995 XLGGXEYFBVXKGO-UHFFFAOYSA-N 424.715 5.749 0 40 HKAB CCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc(C)c(F)c2)n1 12913054 GKEBOXIHQDVMNO-CQSZACIVSA-N 424.501 5.022 0 40 HKAB O=C(CCSCc1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 13688052 GZTUNMBMMHJANF-UHFFFAOYSA-N 405.607 6.416 0 40 HKAB O=C(CSc1nc2ccccc2s1)N1CCC[C@H]1c1nc2ccccc2s1 14196503 FEDRHMVMFPEWAG-HNNXBMFYSA-N 411.577 5.362 0 40 HKAB COC(=O)c1cccc(Cn2nc(-c3cccc(C)c3)c(C)c2-c2cccc(C)c2)c1 17088560 JEDTZEATANYUPI-UHFFFAOYSA-N 410.517 5.977 0 40 HKAB O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 17089453 QGCRUDKFAJIXNO-UHFFFAOYSA-N 413.260 5.819 0 40 HKAB COc1ccc(C(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c(OC)c1 19691483 WFMGWYZXSIRAAM-HSZRJFAPSA-N 420.484 5.191 0 40 HKAB CC[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2cnn(C)c2C)nc2ccccc12 19716479 MPMRVHQVRQMMMW-DEOSSOPVSA-N 416.500 5.306 0 40 HKAB COc1cccc(CCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 20460445 VLJIQAUWPHGAIO-UHFFFAOYSA-N 414.549 5.011 0 40 HKAB C[C@@H](Sc1nnc2sc3ccccc3n12)C(=O)c1ccc(Br)cc1 20895056 ZQPINLNTSUTADH-SNVBAGLBSA-N 418.341 5.070 0 40 HKAB COCCn1c(SCc2nc3ccccc3c(C)c2Cl)nnc1-c1ccccc1 23080681 JHOOPKJQKHQWDU-UHFFFAOYSA-N 424.957 5.394 0 40 HKAB CN(C)[C@H](CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccsc1 25329388 WLYFGOQMYYWVTG-MRXNPFEDSA-N 408.445 5.060 0 40 HKAB COc1ccc([C@H](CNC(=O)c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 27746076 QSTXNTILINMQKH-FQEVSTJZSA-N 404.897 5.392 0 40 HKAB Cc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)c1cccc(C(F)(F)F)c1 27922741 GJRZMWBVEPOCEI-UHFFFAOYSA-N 423.438 5.973 0 40 HKAB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)C(C)(C)c1ccccc1 29435629 YMPKMEIRVKAIFI-UHFFFAOYSA-N 423.578 5.662 0 40 HKAB O=C(NCc1ccccc1-n1ccnc1)c1ccc(OCc2ccccc2Cl)cc1 30753001 IIWNTVVYTAJUQB-UHFFFAOYSA-N 417.896 5.035 0 40 HKAB Cc1ccccc1OCC(=O)Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 32623585 SVGLAUQDZMQZFF-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB O=C(CSc1nnc(C2CCCCC2)o1)N[C@H](Cc1ccccc1)c1ccccc1 32724144 IVTLHSXBALBKFK-OAQYLSRUSA-N 421.566 5.310 0 40 HKAB CC(C)(C)[C@H]1C/C(=C/c2ccc(Cl)cc2)c2nc3ccccc3c(C(=O)O)c2C1 33888676 UGFOTXAVNSQNBM-WBILKINKSA-N 405.925 6.736 0 40 HKAB Clc1ccc2nc(-c3cccs3)c(Nc3ccc(Br)cc3)n2c1 35622076 JLKUDTLRBQREKB-UHFFFAOYSA-N 404.720 6.222 0 40 HKAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1Cl 38755753 CXROOSNGFVAGQV-ZDUSSCGKSA-N 410.297 5.193 0 40 HKAB Fc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccc(Cl)cc4)ncnc32)cc1 39725427 NXHYSVCNQDXUIW-UHFFFAOYSA-N 414.871 6.624 0 40 HKAB O=C(NCCCOCc1ccccc1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 40062012 DVIVTOYXLAYEHD-PMACEKPBSA-N 406.551 5.069 0 40 HKAB COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 44933151 WPSDYLYZVFCUGS-MAUKXSAKSA-N 421.368 5.091 0 40 HKAB COC(=O)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Br)nc2c1 45919905 CMYUOTGAYPRERD-UHFFFAOYSA-N 401.043 5.351 0 40 HKAB CC(C)c1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)Nc2c(Cl)cccc23)cc1 49947069 SGINLOSEYWJFJS-XMMPIXPASA-N 417.896 5.341 0 40 HKAB COc1ccc(CC2=CCC[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 51330397 CTZHBEXIMJUKEA-IAPPQJPRSA-N 424.544 6.200 0 40 HKAB COc1ccc(CCC(=O)N2CCC[C@@H](c3cccc(-c4ccc(F)cc4)n3)C2)cc1 72349344 ZZWWINVCWIGNSW-OAQYLSRUSA-N 418.512 5.235 0 40 HKAB O=C(CCc1ccc(F)cc1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 72350367 VHKJCXQUVWQBCK-OAQYLSRUSA-N 420.503 5.289 0 40 HKAB O=C(CCCc1ccccc1)N1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 72359831 OZNJUSCCRCDPDE-UHFFFAOYSA-N 403.501 5.012 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 95482497 DUGDRQHQCUXSPG-NRFANRHFSA-N 421.541 5.159 0 40 HKAB CCc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nn(-c4ccccc4)c(O)c32)cc1 102897680 ASOGAMOYKIBHBD-NRFANRHFSA-N 413.521 5.990 0 40 HKAB O=C(COc1ccc(Cl)cc1Br)Nc1ccc(OC2CCCC2)cc1 218857165 XJSAOSXLAWZDHU-UHFFFAOYSA-N 424.722 5.441 0 40 HKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2C)o1 222894976 LNNMRQZUBUZCMF-SFTDATJTSA-N 411.958 5.686 0 40 HKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 222911205 KNTHUPXIJCCWGP-RTWAWAEBSA-N 410.974 5.154 0 40 HKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1Cc1ccccc1 222916983 KEPCUWTZSIAIPT-ZEQRLZLVSA-N 418.610 5.177 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1c1ccccc1 224174149 HQKLDGKQQPYHFS-DHIUTWEWSA-N 402.567 5.565 0 40 HKAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(CN2CCCc3ccccc32)cc1 224328791 AXCUJUSTRKPHRT-UHFFFAOYSA-N 420.940 5.102 0 40 HKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C(C)C 224396574 IZPYWDOFISICQL-YADHBBJMSA-N 408.546 5.397 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1ccccc1Cl 224476829 LQWVBLSONKGRHZ-UHFFFAOYSA-N 409.913 6.132 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2)cc1COc1ccc(-c2ccccc2)cc1 224552725 RINOHGBEZARUQG-UHFFFAOYSA-N 423.512 6.584 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1ccccc1OC 224575533 DYYIPBMJBOLTJW-UHFFFAOYSA-N 405.494 5.488 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Br)cc1F 224666017 DHKODXNMOPTQOB-IBGZPJMESA-N 406.295 5.263 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1SCc1ccc(Cl)cc1 225039954 PUYOJCJKZBWODV-UHFFFAOYSA-N 418.345 6.547 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1)c1ccccc1 225303960 LNWGQFNEKJDGLX-QGZVFWFLSA-N 406.913 5.402 0 40 HKAB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)NCCC1=CCCCC1 225336992 RTXLJNFRGLOAFG-UHFFFAOYSA-N 403.551 5.421 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCC(C)CC1 225720689 AGILNFURPFDIKN-UHFFFAOYSA-N 416.606 5.111 0 40 HKAB Cc1cc(Br)c2[nH]c(-c3ccc(Cc4ccc(Cl)cc4)cc3)nc2c1 226342549 TZIILKLAKXEYEY-UHFFFAOYSA-N 411.730 6.545 0 40 HKAB CCOc1cc(C(=O)Nc2ccccc2F)cc(Cl)c1OCc1ccc(C)cc1 408553735 PIEACXFPLAXOJL-UHFFFAOYSA-N 413.876 6.018 0 40 HKAB COc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1Cl 408622996 QKOHMBJJJSDBOQ-UHFFFAOYSA-N 405.306 5.282 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccccc2)c(C)c1 408693768 DEOZJKUPHCTNLA-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(C)cc2)cc1 408696023 VDYYQAKKFSSNLC-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(C)c(C)c2)cc1 408698628 OWAWEKIOOWMPSD-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB COc1cc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)ccc1O 408816425 YRMPRZJNMFESQP-BYMGZZSFSA-N 423.558 5.455 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C)cc1 409117611 PLHWKHYZLMDRLN-UHFFFAOYSA-N 409.957 6.855 0 40 HKAB CCn1c(SCc2ccc(Br)cc2)nnc1-c1cc2ccccc2o1 409347376 LYNXCPVTHKACPK-UHFFFAOYSA-N 414.328 5.766 0 40 HKAB Cc1ccc(S(=O)(=O)N2c3ccccc3-c3c(ssc3=S)C2(C)C)cc1 797196 MTJIUPKCPMVMAP-UHFFFAOYSA-N 419.618 5.959 0 40 HKAB aggregator Cc1ccc2cc3c(N)c(C(=O)Nc4ccc5sc(C)nc5c4)sc3nc2c1 862107 TUPUOOBLIFWVGY-UHFFFAOYSA-N 404.520 5.511 0 40 HKAB COc1ccc(-c2csc(N(C)C(=O)COc3cccc4ccccc34)n2)cc1 929064 DHLIAVZWSPAIDP-UHFFFAOYSA-N 404.491 5.014 0 40 HKAB COc1ccc(-c2cc(OC(=O)c3ccccc3)c3c(C)oc(C)c3c(=O)c2)cc1 1317134 WLPYBHUMKWQWJL-UHFFFAOYSA-N 400.430 5.305 0 40 HKAB O=C1Nc2ccc(Br)cc2[C@@H](c2ccccc2Cl)[C@H]1N1CCCCC1 2352722 WADJIXHIJZUNAV-RTBURBONSA-N 419.750 5.041 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(Cc1ccccc1)Cc1ccccc1 2740117 LZQYEJWXWRVJTL-QGZVFWFLSA-N 414.332 5.990 0 40 HKAB Cc1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)cc1 2924998 HJNYIEOWUOADFE-UHFFFAOYSA-N 419.575 6.047 0 40 HKAB CCN(CC)c1ccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1 3328068 XDTWYSJDNMMKCC-UHFFFAOYSA-N 415.253 5.566 0 40 HKAB C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)NC(c1ccccc1)c1ccccc1 3347712 XJSIQDIJPQTLDK-QGZVFWFLSA-N 415.518 5.123 0 40 HKAB O=C1O[C@@]2(C[C@@H](c3ccccc3)[C@H]3CCCC[C@@]34Nc3ccccc3N24)c2ccccc21 3999085 JQKXIOGQANFJIF-DEQMQSMYSA-N 422.528 6.016 0 40 HKAB COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3Cl)C[C@@H]21 4029943 AJCTUOVVUOISQR-WMZHIEFXSA-N 412.917 5.177 0 40 HKAB biogenic CCN(CC)CCCN(C(=O)c1ccc(OC)cc1)c1nc(-c2ccccc2)cs1 4188899 PQKHJTKJVQPJCS-UHFFFAOYSA-N 423.582 5.197 0 40 HKAB O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1 4561566 KKMXKWXCMDVETL-BUHFOSPRSA-N 415.543 5.490 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc54)o3)cc2)cc1 4568543 PSEBJMWGBGFSCP-UHFFFAOYSA-N 408.457 6.299 0 40 HKAB COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)cc1 5256161 SDOPCUCGQPKBEH-FQEVSTJZSA-N 416.308 5.441 0 40 HKAB O=C(Nc1ccc(NC(=O)c2ccccc2Br)cc1)c1ccccc1F 5583782 WGSGPZBQEPQMTC-UHFFFAOYSA-N 413.246 5.093 0 40 HKAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 5616405 BVFRESHNKNZVNN-UHFFFAOYSA-N 401.293 6.106 0 40 HKAB Brc1nc2cc(Br)c(Br)c3cccc([nH]1)c23 5636333 QYSPHAHDHGQIHB-UHFFFAOYSA-N 404.887 5.004 0 40 HKAB O=C(Cn1c(Cc2cccc3ccccc23)nc2ccccc21)N1CCc2ccccc21 5656681 UVKJTJOTAXVOLV-UHFFFAOYSA-N 417.512 5.370 0 40 HKAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 6386530 XXGKKARNERALKL-UHFFFAOYSA-N 411.571 5.240 0 40 HKAB O=C(Nc1ccc(F)cc1)c1ccc(COc2ccc(Br)cc2)cc1 6526765 VEIGKROVTOEMQH-UHFFFAOYSA-N 400.247 5.420 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C(C)(C)C)cc2)N3)C1 6655293 BSRUSMMDPNGWOD-UTKZUKDTSA-N 410.627 7.016 0 40 HKAB COc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1Br 6846954 UEWHRDIAFRRGAJ-UHFFFAOYSA-N 412.283 5.289 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 7763541 JRXOWSNNAJLJGZ-AWEZNQCLSA-N 412.584 5.586 0 40 HKAB Cc1cccc(OCCSc2nc3ccccc3c(=O)n2-c2ccc(C)c(C)c2)c1 7977523 IGMCDEPNAIYJRT-UHFFFAOYSA-N 416.546 5.482 0 40 HKAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](C)c2cccc3ccccc23)cc1 8340696 NSALDMPMPRSCTD-QGZVFWFLSA-N 414.505 5.444 0 40 HKAB O=C(Cn1nc(-c2ccccc2Cl)n(-c2ccccc2)c1=S)c1ccccc1 8435936 STWJNNWXTFCCNP-UHFFFAOYSA-N 405.910 5.607 0 40 HKAB COc1cccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccc(F)cc1 8534884 GMHWSBCZDCKNQD-PYMPDBRZSA-N 423.572 6.108 0 40 HKAB Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccn2c1C(=O)c1ccccc1 8611846 PJRQAIPTRSGELH-UHFFFAOYSA-N 423.394 5.024 0 40 HKAB Cc1nc2ccc(Oc3ccccc3)cc2c(O)c1CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 8717148 VKLFKVJTCPKFKA-PPHZAIPVSA-N 416.565 6.442 0 40 HKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2c1 8903120 WUXXRVAVJSQXHV-UHFFFAOYSA-N 410.539 5.803 0 40 HKAB O=C(Nc1c(-c2cc(=O)oc3cc4c(cc23)CCC4)oc2ccccc12)c1ccccc1 9305600 ROXOJLPQNFNUFH-UHFFFAOYSA-N 421.452 5.947 0 40 HKAB biogenic COc1ccc(CN(C(=O)Cc2csc(-c3ccccc3Cl)n2)C2CC2)cc1 9595982 JCZOAKAGFBOTRT-UHFFFAOYSA-N 412.942 5.206 0 40 HKAB COc1ccc(-c2cc(N[C@H](C(=O)N3CCCC3)c3ccccc3)ccc2OC)cc1 12568036 NZPRVASMMDJDSE-VWLOTQADSA-N 416.521 5.146 0 40 HKAB CC(=O)N(c1nc(/C=C/c2nc3ccccc3s2)cs1)c1ccc(F)cc1F 12747687 KGDYLNHKYWOALT-VQHVLOKHSA-N 413.474 5.886 0 40 HKAB CC(C)[C@H](NC(=O)N(C)Cc1cccc(Cl)c1)c1ccc2c(c1)OCCCO2 12802083 RLPUBPJYHOJQQF-NRFANRHFSA-N 402.922 5.040 0 40 HKAB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)c(OC)c1 15953540 KHTQBWLJEZPZAP-KNBUBVHZSA-N 407.554 5.085 0 40 HKAB biogenic COc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1Br 16226636 XPCUFPLTEBKHHH-UHFFFAOYSA-N 419.500 5.126 0 40 HKAB COc1ccccc1CC(=O)N1CCC(c2cc(-c3ccccc3)cc(C)n2)CC1 19691113 AQHZXOUETPJEOY-UHFFFAOYSA-N 400.522 5.014 0 40 HKAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(Cl)cc1Cl 21389738 YPUWMXIXRAWCIV-LBPRGKRZSA-N 407.272 5.598 0 40 HKAB Cc1nc(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)n(CC(C)C)c1C 21432455 UNRYFKYTBYFECV-UHFFFAOYSA-N 419.900 5.559 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 22072302 HIXIGGNYXNLICM-UHFFFAOYSA-N 407.779 5.630 0 40 HKAB COc1ccc(-c2csc3c(=O)n(Cc4cccc(C(F)(F)F)c4)cnc23)cc1 23126650 GECBDQAZPZRVCO-UHFFFAOYSA-N 416.424 5.201 0 40 HKAB CCOc1ccc2nc(NC(=O)Cc3csc(Nc4ccccc4)n3)sc2c1 23235290 MAROBSKBBOQNLK-UHFFFAOYSA-N 410.524 5.076 0 40 HKAB Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C)c1cccc(Cl)c1 24549809 YVZJWIKOQGZILB-LBPRGKRZSA-N 401.919 5.123 0 40 HKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(-c2ccc(F)cc2)o1 30822863 SGARMIOBCLYXAG-UHFFFAOYSA-N 404.397 5.492 0 40 HKAB COc1ccc(-c2noc(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)n2)cc1 32623852 YKGVQYRQUOTQEF-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB Cc1ccc(-c2nc(COC(=O)c3ccc(SCc4cscn4)cc3)no2)cc1 32906030 LXHNGDDDVVLKFG-UHFFFAOYSA-N 423.519 5.151 0 40 HKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc4cccnc34)o2)cc1C 33615581 BVKAKGDCQIHCTK-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB Cc1cc(/C=C(\Cl)c2nc3sc(C)c(-c4ccccc4)c3c(=O)[nH]2)cc(C)c1O 36309002 FYALIARJKZXNFE-BOPFTXTBSA-N 422.937 6.019 0 40 HKAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 38754409 ZQKMHEPIBSHAKG-RTBURBONSA-N 416.521 5.146 0 40 HKAB O=C(CCSc1nnc(C2CCCCC2)o1)Nc1ccc(Br)cc1 40127498 FTTXWHJCSNOAOH-UHFFFAOYSA-N 410.337 5.001 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 44840447 XHGLJKIAFXYRSI-ZEQRLZLVSA-N 405.538 5.909 0 40 HKAB Cc1cccc(NC(=O)NC(C)(C)C)c1NC(=O)c1ccc(OC(F)(F)F)cc1 66089510 MNLDSAZQHAZXRZ-UHFFFAOYSA-N 409.408 5.066 0 40 HKAB O=c1c2cc(-c3cccc4ccccc34)nn2ccn1Cc1c(F)cccc1Cl 67260758 IZDVNTAZYFKHIO-UHFFFAOYSA-N 403.844 5.157 0 40 HKAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(-c2ccccc2)cc1 72229883 QMJHBOVNFVDFHQ-RUZDIDTESA-N 413.904 6.341 0 40 HKAB O=C(NCc1nc(-c2ccc(Cl)cc2)cs1)c1cc(-c2ccccc2F)on1 72260048 ALFDIGDBCVHEHC-UHFFFAOYSA-N 413.861 5.188 0 40 HKAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ncccc2C)C12CCCCC2 72401628 QGKYOVWVBVELJU-RXVVDRJESA-N 405.542 5.070 0 40 HKAB CC(C)C1=C(c2c[nH]c3ccccc23)[C@@H]2[C@H](C)C[C@@H](O)[C@@]3(C)[C@H](C)CC[C@H](O)[C@@]23CC1 85596838 GVGMWTZTHQRHRE-GSJQUQQQSA-N 421.625 6.172 0 40 HKAB biogenic CC[C@H](C)c1ccccc1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 97994263 WZEMAOGDJKAGCX-JMMZKRSASA-N 413.481 5.083 0 40 HKAB COc1ccc([C@@]23C(=C(c4ccccc4)c4ccccc4)[C@@H]4C[C@H]2[C@@]3(C)C4(C)C)cc1 100366017 BPROIXCAMGDCTI-RCYOKLDESA-N 406.569 7.131 0 40 HKAB COC(=O)c1ccc(NC(=O)CC23C[C@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 100864064 PMUPVGKIKOHKCZ-KDGKYOGISA-N 417.549 5.648 0 40 HKAB c1ccc([C@H]2C3=C(c4ccccc4CC3)N3c4ccccc4O[C@@]34CCCC[C@H]24)cc1 102666471 SZOCNTHWLVFMCN-PZFKOMAXSA-N 405.541 6.927 0 40 HKAB Cc1ccc(NC2=C[C@@H](c3cccc4ccccc34)N(c3ccc(C)cc3)C2=O)cc1 103745277 CQYOMZORXPWSPP-MHZLTWQESA-N 404.513 6.541 0 40 HKAB CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 223338994 AQPYXIJPCSKDJK-XMMPIXPASA-N 420.940 5.136 0 40 HKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nnc(SCc2ccccc2)s1 224982810 YYPSQBQVYHAHQO-UHFFFAOYSA-N 417.559 5.679 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1 227121348 RJQXEDHGUKIIPC-GJZGRUSLSA-N 407.341 5.778 0 40 HKAB CC[C@H](NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1)c1ccc2c(c1)CCCC2 260951624 YRIHJJINHCOHCJ-FNZWTVRRSA-N 404.598 5.678 0 40 HKAB CCCCOc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(C)c(C)c3)n2CC)cc1 408560095 BXBIKEMHPDNDDO-QPLCGJKRSA-N 422.594 6.082 0 40 HKAB CCc1nnc(S/C(=C\c2c(-c3ccccc3)[nH]c3ccc(OC)cc23)C(=O)O)o1 408631904 NCPAYYREVLERGN-PDGQHHTCSA-N 421.478 5.007 0 40 HKAB CSc1cccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)c1 408676257 MPBIVWZJRLEDLG-UHFFFAOYSA-N 404.466 5.289 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2cccc(C)c2C)c1 408697977 KOQBWVSUGCQIMS-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2cccc(Cl)c2)cc1 408698763 PGRUYLNHQMEYEV-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1cccc(NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c1C 408739302 ZKDMRYWWXVADCY-VWLOTQADSA-N 414.549 5.215 0 40 HKAB O=C(c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCCCCC1 408978846 NOFNSHGVGRWTTA-UHFFFAOYSA-N 419.575 6.103 0 40 HKAB CCCn1c(SCCOc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 409094986 GWZLBRUSFIQDDQ-UHFFFAOYSA-N 408.354 5.833 0 40 HKAB Cc1cccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccccc2)c1 409099612 RHNOZZRQOPBNCF-UHFFFAOYSA-N 407.542 6.688 0 40 HKAB CCOc1ccc(NCc2ccc(OCc3ccc(Br)cc3)cc2)cc1 409117666 OMGAFIDZBKGODL-UHFFFAOYSA-N 412.327 6.039 0 40 HKAB COCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O 409147902 WJYOZBMWPQXQAF-PXLXIMEGSA-N 419.502 5.102 0 40 HKAB CC(C)[C@@H]1CC2(CCN(Cc3cn(C)cn3)CC2)CO[C@H]1c1cccc(Cl)c1 643914818 XPLUMDPPXHQPDY-VXKWHMMOSA-N 401.982 5.090 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)OC2CCCCC2)cc1 1781058 XEIMHHPCQYHBIB-UHFFFAOYSA-N 422.308 5.500 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc54)o3)cc2)cc1 2050801 XGZGAMJETKVITL-UHFFFAOYSA-N 420.512 7.198 0 40 HKAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)CCCc2ccccc2)c1 2073558 UBSLTNCQGAJDGQ-UHFFFAOYSA-N 402.494 5.299 0 40 HKAB CCc1ccc2nc(Nc3ncc4c(n3)C[C@@H](c3ccc(C)cc3)CC4=O)nc(C)c2c1 2244733 SOLCKIBEFSXISX-LJQANCHMSA-N 423.520 5.255 0 40 HKAB Clc1ccc(-c2nc(Nc3ccc(Br)cc3)c3ccccc3n2)cc1 2267284 OWQWVYWGDNTSPZ-UHFFFAOYSA-N 410.702 6.456 0 40 HKAB Cc1ccc(NC(=O)c2c(N)n(-c3ccccc3)c3nc4ccccc4nc23)cc1C 2290939 IMFOZNRXDPQNIT-UHFFFAOYSA-N 407.477 5.025 0 40 HKAB COc1ccc(-c2cn3cc(-c4ccc(Cl)c(Cl)c4)c4c3n2CCCC4)cc1 2327090 MZLNUNJGSHJSAP-UHFFFAOYSA-N 411.332 6.727 0 40 HKAB CCc1ccc(NC2=C[C@H](c3cccc(OC)c3)N(c3ccc(CC)cc3)C2=O)cc1 2354081 JCQLUKOMUWPMKC-AREMUKBSSA-N 412.533 5.904 0 40 HKAB CC(C)(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccco2)cc1 2428238 IYJSEFWEBUHLLG-QFIPXVFZSA-N 413.473 5.429 0 40 HKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 2453984 YKXDHXVEOHARNM-UHFFFAOYSA-N 408.571 5.073 0 40 HKAB O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1cccc(C(F)(F)F)c1 2474911 OZCMMCDXEKLEQG-UHFFFAOYSA-N 416.380 5.188 0 40 HKAB Cc1nc(SCC(=O)Nc2ccccc2Cl)c2c3c(sc2n1)CCCC3 2644199 LTQWGEMMOYXCJS-UHFFFAOYSA-N 403.960 5.263 0 40 HKAB O=C1C[C@@H](c2ccc(Cl)cc2Cl)c2cc(Br)c3ccccc3c2N1 2776572 YMWDLNUTZRTOIZ-AWEZNQCLSA-N 421.121 6.383 0 40 HKAB Cc1ccccc1Nc1sc(C(=O)c2ccc(C(C)(C)C)cc2)c(N)c1C(N)=O 3224605 GNQWWUPMBCRKLA-UHFFFAOYSA-N 407.539 5.010 0 40 HKAB CCc1cccc(C)c1NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 3416240 LPRKPTNNCGRJEV-ISLYRVAYSA-N 421.544 6.370 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccccc2Oc2ccccc2)sc2c1CCCC2 3766192 LEUUZEJNJFVRMQ-UHFFFAOYSA-N 421.518 5.848 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc(Nc4cccnc4)c3)nc2c1)c1cccnc1 4705023 FCHGJVLDUWKDPC-UHFFFAOYSA-N 407.433 5.281 0 40 HKAB CCCCC(=O)Nc1cc2nc(CCCC)n(Cc3ccccc3OC)c2nc1C 4848522 WLLAYMSEZGBJFR-UHFFFAOYSA-N 408.546 5.268 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1sc2ccccc2c1Cl 5676916 DFNSITKSPHEKCV-IJEWVQPXSA-N 408.947 5.716 0 40 HKAB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(Cl)cc1 6307872 DGPMEIVQXHGMGI-DHDCSXOGSA-N 406.240 5.010 0 40 HKAB CCCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 6396846 VVMJELZTWQRYLU-PKNBQFBNSA-N 401.850 5.029 0 40 HKAB CCOc1c(Cl)cc(C(=O)Nc2ccccc2Cl)cc1OCc1ccccc1 6656311 QOMAMXWEQUKGKH-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB O=C(c1cc(Cl)ccc1OCc1ccccc1)N1CCC(Cc2ccccc2)CC1 7687476 QMYYRNCPICLCGS-UHFFFAOYSA-N 419.952 6.014 0 40 HKAB CC(=O)Nc1nc(CSc2ncnc3scc(-c4ccc(C)cc4)c23)cs1 7735313 MGFCQRJZZBFKGG-UHFFFAOYSA-N 412.565 5.374 0 40 HKAB CCOc1cc(CNC2CCCCCC2)ccc1OCc1ccc(Cl)cc1Cl 8254572 FIEQZQMHOLPFCS-UHFFFAOYSA-N 422.396 6.784 0 40 HKAB Cc1cc(I)ccc1NC(=O)c1ccccc1SC(C)C 8558363 QPYDGIVNYOEZOJ-UHFFFAOYSA-N 411.308 5.352 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3ccc(F)cc3)C[C@H]21 12196084 JTEQEMVOLOOFEG-ZJSXRUAMSA-N 422.887 6.120 0 40 HKAB O=C(NCc1ccc(Cl)cc1Cl)c1cc(-c2ccncc2)nc2ccccc12 12311609 GCAJDLWNZZCGQI-UHFFFAOYSA-N 408.288 5.534 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1-n1ccnc1 12558935 FOOQUBUBOCWPMM-UHFFFAOYSA-N 414.309 5.554 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)c3cccnc3Cl)cc12 12617018 APDOAHDBAOZGFC-UHFFFAOYSA-N 421.836 5.544 0 40 HKAB Cc1cc(CSc2ncccc2C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)no1 12799229 DHGOXIRYXGSRRJ-AWEZNQCLSA-N 424.551 5.113 0 40 HKAB O=C(Nc1ccccc1)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1 13350102 MSJZUMBVQDVFKI-UHFFFAOYSA-N 402.479 5.673 0 40 HKAB Cc1ccc(-c2nc(C)sc2CC(=O)NCc2cccc(C(F)(F)F)c2)cc1 14789990 MBDDGKRPHAMTJX-UHFFFAOYSA-N 404.457 5.305 0 40 HKAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2cccs2)nc2ccccc12 14793469 KMMHIQXEPXISGB-UHFFFAOYSA-N 417.490 5.183 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(C2CC2)nn1-c1ccccc1 15356288 WBTOHAPJRGDDES-UHFFFAOYSA-N 420.925 5.779 0 40 HKAB O=C(Nc1ccc(Cl)cc1)OC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 16401196 NAYSXKJQSACTIK-UHFFFAOYSA-N 406.696 6.985 0 40 HKAB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 17088696 ZSLUIQLAEUZSST-ZRDIBKRKSA-N 410.926 5.743 0 40 HKAB CC(C)Oc1cccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 17093395 ZLGHORULDWIMGA-UHFFFAOYSA-N 422.937 6.656 0 40 HKAB Cc1cccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3-c2ccccc2)c1 17135443 PLSALCSEJOOEJZ-UHFFFAOYSA-N 420.520 5.522 0 40 HKAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccc(Cc2ccccc2)cn1 19688506 KKEDWOHHTIOTEQ-AREMUKBSSA-N 409.533 5.450 0 40 HKAB Cc1nnc2n1C[C@H](c1cccc(C(=O)Nc3ccccc3-c3ccccc3)c1)CC2 19698189 CUHQDIDBTAODPV-JOCHJYFZSA-N 408.505 5.236 0 40 HKAB Brc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 19798589 METDTICNCWBEDZ-IFMALSPDSA-N 405.295 5.691 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c(Cl)c1 20044279 XRZDZPFNMYOAGK-ZDUSSCGKSA-N 410.297 5.193 0 40 HKAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 20490084 DWGZUDLATNXUTA-QGZVFWFLSA-N 409.576 6.107 0 40 HKAB Cc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1 27260917 SXCVIRACLDVWLS-UHFFFAOYSA-N 409.283 5.262 0 40 HKAB COc1cc(NC(=O)c2ccc(CSc3ccccc3)cc2)c(OC)cc1Cl 28076573 DIXZECAPFMEUFX-UHFFFAOYSA-N 413.926 5.902 0 40 HKAB CCn1c(SCc2cccs2)nnc(Nc2cccc(Cl)c2Cl)c1=O 28537209 AKMPTIULHZJJFX-UHFFFAOYSA-N 413.355 5.062 0 40 HKAB Fc1ccc(-c2nnc(SCc3ccccc3Cl)n2C[C@H]2CCCO2)cc1 32604422 SZGKCSHVLRPCFU-QGZVFWFLSA-N 403.910 5.209 0 40 HKAB Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccc(F)c(F)c1 32932006 TUUMHGORAPBDRE-UHFFFAOYSA-N 424.831 5.632 0 40 HKAB CCc1ccc(-c2ccc(SCc3nc(-c4ccc(SC)cc4)no3)nn2)cc1 33022002 HNAORQBGSBNTAH-UHFFFAOYSA-N 420.563 5.770 0 40 HKAB Cc1ccc(C(=O)[C@@H]2CN(C)[C@H](c3cccs3)[C@@H]2C(=O)c2ccc(C)cc2)cc1 36383309 XNDXEIYARWEMSV-YMPZKCBVSA-N 403.547 5.350 0 40 HKAB COc1ccc(CN(C(=S)Nc2ccc(SC(F)F)cc2)C2CC2)c(OC)c1 40071328 HGZJDOQXIDJWBS-UHFFFAOYSA-N 424.538 5.380 0 40 HKAB COc1cc(CN(C(=O)Nc2ccc(Cl)cc2C)C2CC2)ccc1OC(F)F 40119907 GUZCJRLENOCRRI-UHFFFAOYSA-N 410.848 5.455 0 40 HKAB O=C(Nc1ccc(Cl)cc1)N[C@@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 40156774 UDIVETQFIMVHQR-FQEVSTJZSA-N 406.873 5.027 0 40 HKAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 44842259 RWOIAQBBMXJAKO-KRWDZBQOSA-N 423.534 5.402 0 40 HKAB O=C(NCCC1=CCCCC1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079039 MYVSLRUOFLUHMQ-UHFFFAOYSA-N 406.501 5.039 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(SC)c1 49005117 AHIMVZXSCYTLNI-GOSISDBHSA-N 420.582 5.808 0 40 HKAB O=C(CN[C@@H](c1ccc(F)cc1)c1cccs1)Nc1ccc(N2CCCCC2)cc1 57355260 ANEBQLPOMXPADM-DEOSSOPVSA-N 423.557 5.195 0 40 HKAB COc1cccc(Cn2c(SCc3cc(C)ccc3C)nc3ccccc3c2=O)c1 67258759 YRJJXRWJGQTWRC-UHFFFAOYSA-N 416.546 5.363 0 40 HKAB COc1cccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccsc2)c1OC(F)F 72273091 ZRBFRKHXIYJXLO-KRWDZBQOSA-N 423.868 5.531 0 40 HKAB CN(CCCC(=O)N1CCCC[C@@H]1c1n[nH]cc1-c1cccc(F)c1)c1ccccc1 72356350 KJGIGDVANFLVFV-HSZRJFAPSA-N 420.532 5.186 0 40 HKAB Cc1cc2nc(-c3ccc(Br)cc3Cl)oc2c(Br)c1C 73638115 JYMUSTDTFRPIHO-UHFFFAOYSA-N 415.512 6.290 0 40 HKAB O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CCC[C@H]1c1ccccc1Cl 84502318 GOACAJGQFVZKIH-PCCBWWKXSA-N 402.897 5.246 0 40 HKAB Cc1csc(SCC2CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)n1 90608146 YQLPWNMVUGRAFA-UHFFFAOYSA-N 415.506 5.507 0 40 HKAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccc(Cl)cc2)C12CCCC2 96343885 IJPNORVJZWWJAT-JOCHJYFZSA-N 424.972 5.309 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1 97994248 NZFPESGWYLHEKW-RCCKNPSSSA-N 413.481 5.002 0 40 HKAB C1=C(c2ccc(-c3ccccc3)cc2)Nc2nc3ccccc3n2[C@@H]1c1cccs1 100955697 XLMIWIFRJBMEJX-DEOSSOPVSA-N 405.526 6.821 0 40 HKAB CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCC(=O)O)C1 118926527 JUPFWUQPXGJVAK-NUYHECPUSA-N 404.591 5.340 0 40 HKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 216407832 WEQIXVNMRJMCRC-HSZRJFAPSA-N 408.542 5.162 0 40 HKAB CC(C)Oc1cccc(CNC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 219767707 SGEPNKVGYRQWKZ-UHFFFAOYSA-N 409.913 5.636 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1C1CCCCC1 223113629 JOOMICRYLPGZKF-DHIUTWEWSA-N 403.551 5.647 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223128206 NLYFBLPENSSEDI-RPBOFIJWSA-N 407.598 6.288 0 40 HKAB CCCc1ccc(OCCNC(=O)c2ccccc2SCc2ccccc2)cc1 224093701 GZTGMNWQRXCMRH-UHFFFAOYSA-N 405.563 5.740 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1COc1ccccc1C 224375548 FZIYHEKKYUCDFB-UHFFFAOYSA-N 419.477 5.012 0 40 HKAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 224621249 RCQQYXCKUAPYGL-XZOQPEGZSA-N 418.566 5.271 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(CN2CCCC2)c1 224625137 UEYCJRSQTDHCFV-NRFANRHFSA-N 402.991 5.123 0 40 HKAB CCOC(=O)c1cccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c1C 225863971 AJWGTJDGDXGCKK-UHFFFAOYSA-N 410.583 5.404 0 40 HKAB Cc1ccc(OCC(=O)N2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)cc1 257201021 AFVOGJRMLBVLOW-IBGZPJMESA-N 424.928 5.012 0 40 HKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3CC=CCC3)CC2)on1 257229114 FWSKQZUFRDNFFX-VAMGGRTRSA-N 422.573 5.310 0 40 HKAB CCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Br 408557439 NKDPVQGAHSWCDU-KRWDZBQOSA-N 412.736 5.280 0 40 HKAB CCCc1s/c(=N\C(=O)c2cc(OC)cc(OC)c2)n(CC)c1-c1ccc(C)cc1 408560726 DYEJLAJEFPAAMA-IZHYLOQSSA-N 424.566 5.256 0 40 HKAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccc(Br)cc1 408562317 OUOBASBLWVSMEC-VZCXRCSSSA-N 401.329 5.049 0 40 HKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)c1 408696827 CHTHPWSZRPAEQK-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2ccccc2Cl)nc1-c1ccc(F)cc1 408697599 IJKIXXKSPAIEMW-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc4ccccc34)nn2-c2cccc(C)c2)cc1 408699345 SWKOWTVLEVCHKI-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB Cc1c(Br)ccc(NC(=O)CSc2ccc3ccccc3c2)c1C 409181239 ACWFFCUYTGGTLI-UHFFFAOYSA-N 400.341 5.950 0 40 HKAB O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 521954538 YBGAVQBLNTUGSC-FCEWJHQRSA-N 415.415 5.175 0 40 HKAB COc1ccc(CN(Cc2ccc(Br)c(F)c2)C(=O)OC(C)(C)C)cc1 575372368 KXSDSYZULCLTMT-UHFFFAOYSA-N 424.310 5.534 0 40 HKAB CCC[C@H]1CCN(Cc2ccc(N3CCCC3=O)cc2)C[C@H]1Nc1cccc(F)c1 1848357400 YIZKDRGCEWGCJF-GBXCKJPGSA-N 409.549 5.055 0 40 HKAB COc1ccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)c(C)c1 649083 KOARLGQOIKLAKP-UHFFFAOYSA-N 422.435 5.212 0 40 HKAB CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccccc12 905765 JPXDPGUBQBNGBM-UHFFFAOYSA-N 415.518 5.426 0 40 HKAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc4ccccc34)o2)cc1 976191 COQRLWMHUWZBJR-AWEZNQCLSA-N 405.479 5.018 0 40 HKAB CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCc1ccc(C)cc1 1341175 VFVHTELPPHRVDJ-UHFFFAOYSA-N 416.525 5.205 0 40 HKAB Cc1ccc(C(=O)N2CCc3cc(-c4csc(NC5CCCC5)n4)ccc32)cc1 1354334 YQXDIFZLEOTLPI-UHFFFAOYSA-N 403.551 5.676 0 40 HKAB CCc1cccc2c(SCC(=O)N3CCC(C)CC3)nc(-c3ccc(F)cc3)nc12 1367637 GBRXHFSTSVSNDX-UHFFFAOYSA-N 423.557 5.349 0 40 HKAB S=C(Nc1ccc(Br)c(Cl)c1)SCc1ccc2c(c1)OCO2 1565575 NCODCWOEOQRRSE-UHFFFAOYSA-N 416.749 5.461 0 40 HKAB OC1C[C@@H]2CC[C@H](C1)N2CCCN1c2ccccc2Sc2ccc(Cl)cc21 1689586 FVXMKGRYMOKOFX-JWTNVVGKSA-N 400.975 5.321 0 40 HKAB in-vitro CCOC(=O)[C@H](C(=O)c1ccccc1)[C@H](c1ccccc1)c1nccc2ccccc12 1718220 BBWZQZGGDBQMEA-ZEQRLZLVSA-N 409.485 5.429 0 40 HKAB O=C(Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2)c1cccc(Cl)c1 2281307 RLWBLFKEEWFQSP-UHFFFAOYSA-N 410.926 5.785 0 40 HKAB Cc1ccc(NC(=O)N(CCO[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)C2CCCCC2)cc1 2289359 OPEXHECXYNEPKO-AMZDPNTKSA-N 412.618 6.393 0 40 HKAB O=c1c(Oc2ccccc2)c(C(F)(F)F)oc2cc(OCc3ccccc3)ccc12 2305995 RDPWKECQLWRBJC-UHFFFAOYSA-N 412.363 6.183 0 40 HKAB O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(F)cc1F 2511609 UVHHNZNGSXECJN-JOCHJYFZSA-N 423.415 5.019 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1c(Cl)cccc1Cl 3240795 FNGJGPPNHDHUKP-GLJUWKHASA-N 401.330 5.083 0 40 HKAB Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CCNC(=O)c2ccc(Cl)cc2Cl)C1(C)C 3765615 YKJXQGJNRWZOPV-UTKZUKDTSA-N 415.364 6.343 0 40 HKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CC(C)(C)C)c(OC)c1 4162576 UJPJFCDYEDWKPB-UHFFFAOYSA-N 410.470 5.077 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@@H]2[C@H](C)CCC(=O)O)C1 4350053 FCQRLHQHKFKTQE-AXVPQMIXSA-N 418.618 6.078 0 40 HKAB CCCC[C@H](CC)COP(=O)(C[C@H](CC)CCCC)OC[C@@H](CC)CCCC 4410230 GOCVCBDBQYEFQD-KMDXXIMOSA-N 418.643 8.862 0 40 HKAB Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1ccc(Cl)c(Cl)c1 4678678 PFGJOPXITFFBPR-UHFFFAOYSA-N 408.332 6.673 0 40 HKAB O=c1c([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)coc2ccc(F)cc12 4844433 GZIHAWSJLXDPJM-SQJMNOBHSA-N 412.420 5.174 0 40 HKAB NC1=C(c2nc3ccccc3s2)CC(=O)N1c1ccccc1Sc1ccccc1 4979938 INYYBBNAOMIVIN-UHFFFAOYSA-N 415.543 5.512 0 40 HKAB Cc1cc(C)c(C)c(Cn2c(CCCNC(=O)C(C)(C)C)nc3ccccc32)c1C 5545992 XHUASKMLKWDHEP-UHFFFAOYSA-N 405.586 5.413 0 40 HKAB Cn1nc(C(F)(F)F)c2cc(NC(=O)OCc3ccc(C(C)(C)C)cc3)sc21 5613774 PQVNUGKRLRQLOP-UHFFFAOYSA-N 411.449 5.700 0 40 HKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc(Cl)ccc3O)o2)cc1C 6301366 CNJMYOGFXDWYCO-UHFFFAOYSA-N 400.887 5.049 0 40 HKAB CCCCCC(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)OCC)cc1 6594930 UIPWOVOMNKYQCV-UHFFFAOYSA-N 422.352 6.284 0 40 HKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)c(OCC)c2)C1=O 6656866 JYJPRHTXVCDXSH-DEDYPNTBSA-N 415.486 5.250 0 40 HKAB Cc1cc(F)ccc1N[C@H](c1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)o1 6825635 APTRYUOKCCWFES-HXUWFJFHSA-N 411.839 6.178 0 40 HKAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)c1C 7158844 IUPYVIFPXCPLGN-GOSISDBHSA-N 410.583 5.761 0 40 HKAB CCN(CC)C(=O)[C@H](Sc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 7221564 LSLBEQCLJVWNNK-GOSISDBHSA-N 412.584 5.043 0 40 HKAB CCc1nnc(S/C(=C\c2c(C)n(Cc3ccccc3)c3ccccc23)C(=O)O)o1 7365626 PPWQMECLQCBKBQ-MOSHPQCFSA-N 419.506 5.161 0 40 HKAB CCOc1cc(CNC[C@H]2CCCO2)cc(Cl)c1OCc1ccccc1Cl 8254122 MQGFISNQDVFCGX-QGZVFWFLSA-N 410.341 5.240 0 40 HKAB Cc1ccc(C(C)C)c(OCc2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1 8743540 HDTXQMJXMBHXJS-UHFFFAOYSA-N 401.919 5.455 0 40 HKAB O=S(=O)(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(Cl)s1 8864768 ZSBOFPZIRGFSJM-UHFFFAOYSA-N 406.941 5.479 0 40 HKAB CC(C)=CCc1c(O)c(C(=O)CC(C)C)c2oc(=O)cc(-c3ccccc3)c2c1O 9223151 SBHOAZQBEGVQLJ-UHFFFAOYSA-N 406.478 5.609 0 40 HKAB endogenous,in-man O=C1S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1Cc1ccccc1Cl 9233830 RJNOEPPTQIKZJD-OVCLIPMQSA-N 424.703 5.045 0 40 HKAB Cc1sc2ncnc(Sc3ccccc3C(=O)N[C@@H](C)c3ccccn3)c2c1C 9468692 WZLKUTPRQYTAAB-AWEZNQCLSA-N 420.563 5.345 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1 9827830 NMXRGKLMCZCUOJ-UHFFFAOYSA-N 402.450 5.476 0 40 HKAB Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1Cl 10314381 BFDYAAYDMRUSRH-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1ccc(-c2c/c(=N\c3cccc(C(F)(F)F)c3)c3cc(O)ccc3o2)cc1 12374169 URVBKEPVDHABLL-NHFJDJAPSA-N 411.379 6.065 0 40 HKAB CCOc1cccc2cc([C@@H](C)NC(=O)c3cc(F)ccc3Br)oc12 12734419 GIAHDOKSPXFGBS-LLVKDONJSA-N 406.251 5.224 0 40 HKAB C[C@@H](SC1=Nc2ccccc2[C@H]2CC=NN12)C(=O)Nc1cc(Cl)ccc1Cl 12762833 BFQFUNAPBYAGBK-PIGZYNQJSA-N 419.337 5.488 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1C 14405258 WRJBQHFQETWIKM-UHFFFAOYSA-N 424.932 5.458 0 40 HKAB O=C(NCc1ccccc1Cn1cccn1)[C@H](Sc1ccccc1)c1ccccc1 14701853 ONXVCTHDQSTKEM-XMMPIXPASA-N 413.546 5.081 0 40 HKAB Cc1ccc(-c2nn(Cn3cc(Cl)cn3)c(-c3ccc(C)c(C)c3)c2C)cc1C 17083091 OVCSTHMHEAHOHZ-UHFFFAOYSA-N 404.945 6.115 0 40 HKAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 17090968 FDSLFDLTUVMQLP-UHFFFAOYSA-N 417.292 5.342 0 40 HKAB CCN(CC)C(=O)c1ccc(-c2nnc(Nc3ccccc3C)c3ccccc23)cc1 17123024 IPNRRDLAWQYPPC-UHFFFAOYSA-N 410.521 5.831 0 40 HKAB Clc1ccc(/C=C\c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(Cl)c1 17185998 MWJBXJZBUGCCLO-OWBHPGMISA-N 403.312 7.288 0 40 HKAB Cc1noc(C)c1Cc1c(C(=O)Nc2ccc(-c3ccc(F)cc3)cc2)noc1C 19580979 FOTZZGFZKWQFHJ-UHFFFAOYSA-N 405.429 5.237 0 40 HKAB COc1ccc2cc(C(=O)N(Cc3ccccc3)Cc3cccc(C)n3)c(C)nc2c1 19664786 BFMKMKJFIDIXLH-UHFFFAOYSA-N 411.505 5.098 0 40 HKAB c1ccc(CCOc2ccc(CNc3cccc(OC[C@@H]4CCCO4)c3)cc2)cc1 19738604 QUMOSOUDENQHLL-SANMLTNESA-N 403.522 5.478 0 40 HKAB C[C@@H](C(=O)c1c[nH]c2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20480018 NHNZAVDTBQWIPM-NRFANRHFSA-N 423.560 5.146 0 40 HKAB Cc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1Cl 20610980 IPCTXFBWEPBVIQ-UHFFFAOYSA-N 411.292 5.596 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 21578723 UNEIBMODUWVOBR-XYOKQWHBSA-N 412.489 6.081 0 40 HKAB Cc1nc(S[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)n(C2CCCCC2)c1C 24932939 XUMRIXBYHSWFMN-KRWDZBQOSA-N 403.567 5.283 0 40 HKAB O=C(COc1ccc(F)cc1)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 27793651 CKEDAZSLOFZIHO-HXUWFJFHSA-N 422.887 5.288 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)NCCc2csc(-c3ccccc3)n2)cc(C)c1Cl 27993473 ULQHWWSTTBEIGM-INIZCTEOSA-N 414.958 5.207 0 40 HKAB O=C1CCCc2cc(C(=O)CSc3nc4cc(Cl)ccc4s3)ccc2N1 32322750 KXCGLUDMFLIDJU-UHFFFAOYSA-N 402.928 5.200 0 40 HKAB CCCCCCOc1ccc(C(=O)Oc2ccc(O)cc2)cc1OCCCCCC 35585924 AUEGPGGLGRULRO-UHFFFAOYSA-N 414.542 6.530 0 40 HKAB CSc1ccc(Cl)c(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c1 36396454 CXBUXRKQMRZPEY-HXUWFJFHSA-N 405.947 5.350 0 40 HKAB Cc1nnc(SCC(=O)c2ccc(Cl)cc2)c2nn(-c3ccccc3)c(C)c12 36646291 OXDNQNVTWYCXOV-UHFFFAOYSA-N 408.914 5.061 0 40 HKAB O=C(NCc1cccs1)Nc1ccccc1NC(=O)c1ccccc1C(F)(F)F 36709655 MEGFIXRVFACTMO-UHFFFAOYSA-N 419.428 5.341 0 40 HKAB CC(C)n1c(S[C@@H](C)C(=O)NC2CCCCC2)nnc1-c1cc2ccccc2o1 39773101 BSGAFRUTAVPQPV-HNNXBMFYSA-N 412.559 5.202 0 40 HKAB COc1cccc(CN2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccccc2F)c1 40485459 POMDGHUDCRBBDP-QHCPKHFHSA-N 403.453 5.196 0 40 HKAB Cc1ccc(CN2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1 55396216 AVESFHFBJQQCHD-UHFFFAOYSA-N 411.501 5.353 0 40 HKAB biogenic Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(C)C)c2)cc1 60524934 QDVJLUKPGXACEN-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 68590728 WQLVFSAGQJTQCK-WHDKYBTRSA-N 414.630 5.714 0 40 HKAB biogenic COc1ccc(Cl)cc1NC(=O)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200252 BGPUZWIWJWVPIL-IRXDYDNUSA-N 417.893 5.030 0 40 HKAB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cccc(F)c4)C3=C(O)C2)cc1 102879388 JZHCSAJBOWBPNJ-QYBDOPJKSA-N 414.480 6.463 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2C)cc1 107571182 PMPBBHFWBKMNIH-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 214702181 OUDMAGTUMNXDLP-RQZCQDPDSA-N 422.289 5.155 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1OCc1ccccc1)CC(C)(C)O2 218987727 CKTFPPVAQVZBDK-JOCHJYFZSA-N 417.505 5.306 0 40 HKAB CC1(C)C[C@@H](NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2O1 218990686 DINZWRXESNQUST-JOCHJYFZSA-N 421.924 5.951 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223099083 QOOURNVSAVOWPD-FTJBHMTQSA-N 401.550 6.144 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)c1 224232292 XLVDLNAXIUHLTF-GOTSBHOMSA-N 404.583 5.566 0 40 HKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1C1CC1 224457979 VTWGIHJFDJGYOM-FCHUYYIVSA-N 422.985 5.665 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)C1CCN(Cc2ccc(F)cc2)CC1 224553111 CAOKFAHUQMNZTP-UHFFFAOYSA-N 402.469 5.576 0 40 HKAB Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 225051545 UYUQNTCEMTURST-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 225555892 HRMHZYWUXJAXTG-UHFFFAOYSA-N 420.380 7.013 0 40 HKAB COC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)ccc1OCC(C)C 225759785 AJDGIBQHAXQVSJ-UHFFFAOYSA-N 423.553 5.657 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c2ccccc12 225768739 UUIQXSPTGWCIGA-UHFFFAOYSA-N 403.522 6.088 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCCCc3ccco3)c2)cc1 225805393 AIOVSQZKKVKPOK-UHFFFAOYSA-N 420.578 5.727 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc2cccc(Cl)c2oc1=O 226039748 BBWVRSWXFAWVRA-UHFFFAOYSA-N 402.155 5.371 0 40 HKAB Cc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@@H](C)[C@H]4C)ccc32)c1-c1ccc(F)cc1 253564325 GJQKMVLZFMXSTE-STXHMFSFSA-N 404.489 5.156 0 40 HKAB COc1ccccc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 408629240 RPVIAUJPSIRUJG-UHFFFAOYSA-N 405.837 5.374 0 40 HKAB O=C(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCCCC1 408735799 WXQAAYJLCFEHMV-UHFFFAOYSA-N 422.532 6.372 0 40 HKAB CC(C)CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c2ccccc21 409121009 VDQFFSMZJIEYLE-PDGQHHTCSA-N 412.316 6.797 0 40 HKAB COc1cccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1OC(C)C 409193013 HAWJAZKKRLCFRQ-GZTJUZNOSA-N 403.887 5.377 0 40 HKAB CCCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O 409213535 USEUHOOGXKKKKW-ATVHPVEESA-N 420.328 5.936 0 40 HKAB CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=O)N(c2ccc(Cl)cc2)C1=O 409349053 QLYTVXOEPCXZQC-BKUYFWCQSA-N 423.921 6.521 0 40 HKAB Cc1ccc(OCc2nc(-c3ccc(Cl)cc3OC(C)C)ccc2C(=O)O)cc1 585265986 XAXURDIUAVSCSM-UHFFFAOYSA-N 411.885 5.775 0 40 HKAB Cc1ccc(-n2ncc3c(N)c4c(nc32)C[C@@H](c2ccc(C(C)C)cc2)CC4=O)cc1C 618256546 JLAJZFBSVHPCAM-HXUWFJFHSA-N 424.548 5.656 0 40 HKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2Cl)ccc1C 640347 NFYORBVFRXJSRE-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc(C(=O)N/C(=C/c2cccc3ccccc23)C(=O)N2CCCCCC2)cc1 715760 XJMRVBVINXCUNM-NCELDCMTSA-N 412.533 5.322 0 40 HKAB O=c1oc2ccc(Br)cc2cc1-c1nc2c(s1)CCc1ccccc1-2 813045 GRMXZYCRDHGIOE-UHFFFAOYSA-N 410.292 5.445 0 40 HKAB Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1C 1380087 BAXIXCQEGIDIIZ-QFIPXVFZSA-N 422.550 5.405 0 40 HKAB O=C(Nc1cccc2ccccc12)OCCCN1CCN(c2ccccc2Cl)CC1 1556478 BNELZSWQTPAUAW-UHFFFAOYSA-N 423.944 5.254 0 40 HKAB CCCOc1ccc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 1774314 ZWCOJNSKPIDOHY-UHFFFAOYSA-N 421.349 6.082 0 40 HKAB Clc1ccc(Oc2nc3ccccc3n3c(-c4ccc(Cl)cc4)nnc23)cc1 1789627 HAMFNOGXQGPOKB-UHFFFAOYSA-N 407.260 6.044 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COc1ccc(C)cc1C 1916445 BAVUNUXJFOTFGS-UHFFFAOYSA-N 423.534 5.535 0 40 HKAB Cc1cc([C@]2(C(F)(F)F)C=C3c4ccccc4CC(C)(C)N3C2=O)cc(C)c1O 2072641 ONQVBIJJALLHSH-JOCHJYFZSA-N 401.428 5.027 0 40 HKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2ccc(C)c(C)c2)C4)cc1 2119504 RCARCIJVKYPIMC-UHFFFAOYSA-N 413.473 5.442 0 40 HKAB biogenic Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3c(F)cccc3Cl)cc2O)n1 2328132 RPCBRFDUSCLSAE-UHFFFAOYSA-N 421.859 5.470 0 40 HKAB biogenic CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@@H](O)c2ccc(Cl)cc2)cc1 2403332 SKTNTCPFOKZFQS-ZBLYBZFDSA-N 407.878 5.350 0 40 HKAB CCOc1ccc2nc(NC(=O)c3c(-c4ccccc4Cl)noc3C)sc2c1 2562012 NLHTVUAQEJAGGE-UHFFFAOYSA-N 413.886 5.564 0 40 HKAB Cc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2cccnc2)c(C)c1 2627064 VDOGZPNDJWYELX-UHFFFAOYSA-N 402.523 5.117 0 40 HKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccccc4)ncnc32)cc1 2715283 MPXPBBXILXSFNS-UHFFFAOYSA-N 406.489 6.230 0 40 HKAB CN(C)c1ccc(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1 3212481 IQKFZFVGLGYPOL-UHFFFAOYSA-N 402.434 6.470 0 40 HKAB CC(C)c1ccccc1NC(=O)CSc1nnc(Nc2ccccc2F)s1 3235162 QIYQZYYEMYNSHF-UHFFFAOYSA-N 402.520 5.275 0 40 HKAB O=C(COC(=O)c1ccccc1Cc1ccccc1)c1ccc(Br)s1 3248869 VNMSCCKLWBVYNU-UHFFFAOYSA-N 415.308 5.141 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCc3ccc(Cl)cc3Cl)c3ccccc3n2)cc1 3317120 WYILMWKSANSWQS-UHFFFAOYSA-N 422.311 6.874 0 40 HKAB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2Cl)cc1 3849760 LMJWBECAVUCCRK-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccc(Cl)c1Cl 4109859 CSKHSKQZVKNGEM-UHFFFAOYSA-N 417.258 6.255 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3)n2Cc2ccccc2)c1 4167394 QPARYQHQOFTASK-UHFFFAOYSA-N 414.534 5.033 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3ncnc(SCC(=O)OC4CCCCC4)c23)C1 4215374 JBGYVIKIZYUUKC-CQSZACIVSA-N 418.628 5.810 0 40 HKAB CC[C@H](C(=O)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12)c1ccccc1 4267428 LXZWTGJTQSWFCR-KRWDZBQOSA-N 416.452 5.957 0 40 HKAB Cc1ccccc1C1(c2ccccc2C)C[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 4480344 JNGAHCPQAFNSQS-JOCHJYFZSA-N 409.451 6.267 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(CC)cc4)nc3c2)c1 4723345 FHDNFWGGQFNQKC-UHFFFAOYSA-N 414.509 5.414 0 40 HKAB Cc1ccccc1C(=O)NC1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 4888525 JGXZOXWPSDFNLC-UHFFFAOYSA-N 413.521 5.148 0 40 HKAB Fc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2c(F)cc(F)cc23)cc1 4970150 OFETZQWCIWAGBD-UHFFFAOYSA-N 409.798 6.311 0 40 HKAB O=C1CS[C@H](c2cccc(Oc3ccccc3)c2)N1c1nnc(-c2ccccc2)o1 5948126 WLKZDPIMEPGQGF-JOCHJYFZSA-N 415.474 5.308 0 40 HKAB COc1ccccc1NC(=O)CSC1=NC2(CCCCCC2)Nc2ccccc21 6901981 NJGNCUPSIUENFZ-UHFFFAOYSA-N 409.555 5.290 0 40 HKAB CCCn1c(C)cc(-c2csc(NC(=O)Cc3cccc4ccccc34)n2)c1C 6931489 STFYECOXKGEOCN-UHFFFAOYSA-N 403.551 5.973 0 40 HKAB CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(OCc2c(C)noc2C)c1 8037702 JXLPZMRBVXQTQD-UHFFFAOYSA-N 404.919 5.248 0 40 HKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 8049115 ZZDPHTDHFXJASQ-JOCHJYFZSA-N 422.912 5.066 0 40 HKAB CC(C)Oc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 8569115 RBXZFMKSHFDBNL-UHFFFAOYSA-N 414.299 5.407 0 40 HKAB Fc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccc(F)cc3)n2)cc1 8694701 NMLJSTFWCWCTLS-HXUWFJFHSA-N 423.513 6.506 0 40 HKAB CCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1Cc1ccc(OC)cc1 9059538 JELOZDKYRKSXET-UHFFFAOYSA-N 402.498 5.054 0 40 HKAB COc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2cccc(OC)c2)cc1 9307398 OBSSAAMCRIWJMR-UHFFFAOYSA-N 421.497 5.383 0 40 HKAB Cc1c(NC(=O)c2ccc(Cl)cc2Cl)cccc1-c1nc2cccnc2s1 9403950 IIQKVOQIAFOMHF-UHFFFAOYSA-N 414.317 6.226 0 40 HKAB C[C@H](Sc1ncnc2sccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1 9478108 MBTJJCMPNGPVRK-HNNXBMFYSA-N 421.547 5.390 0 40 HKAB Cc1ccc(Cc2cnc(NC(=O)C3=Cc4ccccc4OC=C3)s2)cc1Cl 11689851 HNCIJPWLRBNUCN-UHFFFAOYSA-N 408.910 5.624 0 40 HKAB CCc1ccc([C@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(Cl)cc2)cc1 12413253 XIRUETAAURBFGS-VWLOTQADSA-N 419.996 7.626 0 40 HKAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N3CCCCC3)c2c1 12437963 RQYGYQGNKIMOTM-UHFFFAOYSA-N 424.566 5.073 0 40 HKAB COc1ccc(-n2ccnc2SCc2nnc(-c3cc4c(s3)CCCC4)o2)cc1 12604398 DZPLYDSTGWNUKT-UHFFFAOYSA-N 424.551 5.164 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 12719911 KPMMIZLQECJQJE-FODGNSIDSA-N 407.554 6.590 0 40 HKAB biogenic CC(C)c1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2N=CNC2=N3)cc1 13213824 LHYMXWLJPVVZKC-LOSJGSFVSA-N 421.504 5.009 0 40 HKAB Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)cc1 13776850 LVLIJHPPBVVOJP-YKSBVNFPSA-N 418.880 5.619 0 40 HKAB COc1ccc(-c2nn(Cc3ccccc3C)c(-c3ccc(OC)cc3)c2Cl)cc1 13960491 UVTMPBCRCHAPIT-UHFFFAOYSA-N 418.924 6.244 0 40 HKAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(Cl)c(NC(=O)c2cccs2)c1 15615886 QPOWQESHXWQYHL-UHFFFAOYSA-N 423.925 5.108 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c(C)c1 16285033 GGRVYGULXOZANV-UHFFFAOYSA-N 422.937 6.251 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c(C)c1 17089827 KDTYEJPYEVMGOI-UHFFFAOYSA-N 414.461 5.319 0 40 HKAB Cc1ccc(NC(=O)COc2cccc3ccc(N4CCC[C@@H](C)C4)nc23)cc1Cl 17120585 XTEONKVYJCIFRY-MRXNPFEDSA-N 423.944 5.450 0 40 HKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)C1 20452863 FCPSOVJQHGQXIX-NRFANRHFSA-N 414.549 5.750 0 40 HKAB Cc1cccc2c(=O)cc(CSc3ccccc3NC(=O)c3cccs3)[nH]c12 21099202 FXHHIMMZFHBHRW-UHFFFAOYSA-N 406.532 5.443 0 40 HKAB O=C(NCCCc1nc2ccccc2[nH]1)c1ccccc1-c1ccc(C(F)(F)F)cc1 21528356 VTWVZVSYUCKIJS-UHFFFAOYSA-N 423.438 5.611 0 40 HKAB O[C@]1(c2ccc(-c3ccccc3)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 22408772 IHXBNNKSOXYFMA-SANMLTNESA-N 417.960 5.657 0 40 HKAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccccc1SC[C@H]1CCCO1 28689453 YYMRPEPBQUSIOM-OAQYLSRUSA-N 404.535 5.954 0 40 HKAB CSc1ccccc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 30938089 XOGULMWBZZYFNT-UHFFFAOYSA-N 409.382 5.566 0 40 HKAB O=C(Nc1cccc(NC(=O)c2ccccc2CCc2ccccc2)c1)c1cccnc1 31967006 RRFOXUFZSBOBAX-UHFFFAOYSA-N 421.500 5.371 0 40 HKAB CCc1c(C(=O)c2ccc([C@@H](C)NC(C)=O)cc2)oc2ccc(Br)cc12 32869589 JEPZNVPDULJMBF-GFCCVEGCSA-N 414.299 5.186 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc3ccccc3nc2NCc2ccccc2Cl)cc1 33267932 OLTQYYWCQZATTR-UHFFFAOYSA-N 423.925 5.037 0 40 HKAB O=C(COc1ccccc1-c1noc(-c2ccccc2F)n1)Nc1cccc(Cl)c1 33325035 JQSLVSSCFIZAHS-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB Cc1noc(-c2ccccc2)c1C(=O)Nc1nnc(SCc2ccccc2)s1 35671463 FFYJURHEWKEPCG-UHFFFAOYSA-N 408.508 5.046 0 40 HKAB Cc1ccc(-c2nc(CN[C@H](c3ccccc3)c3ccc(OC(F)F)cc3)no2)cc1 40058865 JYPOJFQSVPHWIA-JOCHJYFZSA-N 421.447 5.526 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N1CCC[C@@H]1c1ccsc1 40105513 ZBSHQFJILSHDPS-QGZVFWFLSA-N 409.477 5.736 0 40 HKAB OCc1ccccc1CNc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 48311378 PYEJJKODRYIDIH-UHFFFAOYSA-N 424.529 5.525 0 40 HKAB Cc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4ccccc4)cc3)cn2)c(C)c1 49422010 DCPSFAKLSIKXRC-UHFFFAOYSA-N 424.504 5.053 0 40 HKAB CSc1ccc(Cl)c(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)C)c1 58003126 LDRJFDOJPUHULE-QGZVFWFLSA-N 401.919 5.239 0 40 HKAB CCc1cccc(C)c1NC(=O)c1cnc2scc(-c3ccccc3Cl)n2c1=O 64787988 OMYHUBRJCZWIJV-UHFFFAOYSA-N 423.925 5.200 0 40 HKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cc(C)ccc3C)oc12 67295628 ZNTGFDYOMJJVEU-RFBIWTDZSA-N 413.477 5.246 0 40 HKAB C[C@@H]1Cc2cc(S(=O)(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc2N1 78404116 JKPNXOAHTIMPQK-CQSZACIVSA-N 414.914 5.290 0 40 HKAB Cc1cc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c2ccccc2n1 80346351 PFWOQXOMKDFCNK-UHFFFAOYSA-N 401.539 5.177 0 40 HKAB O=C(Nc1ccc(Cl)cc1)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 102420608 CBLNRNPJYSZWLZ-JEUHMODBSA-N 402.881 5.306 0 40 HKAB Cc1nc(C2=C(O)CN(CCC(c3ccccc3)c3ccccc3)C2=N)sc1C 102716753 SHNYQZUBZPCYSP-UHFFFAOYSA-N 403.551 5.544 0 40 HKAB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)s2)cc1 195529914 PSODWQFXHRFFAD-DLTWYDFYSA-N 404.605 5.012 0 40 HKAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c(C)c1 223081177 LGNXMFPGIWQQBI-UHFFFAOYSA-N 416.496 5.596 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1COCC(C)C 224742357 NHZZIYUEXBDMAF-UHFFFAOYSA-N 419.521 6.303 0 40 HKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)ccc1F 224914131 KASJYSVZEJCKQH-DHIUTWEWSA-N 420.557 5.623 0 40 HKAB Cc1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)c(Cl)c3)s2)c(C)c1 225058968 SHOVJKOGIBAPLN-UHFFFAOYSA-N 424.378 6.006 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225164146 HNFMSYGKGMDSCQ-OAQYLSRUSA-N 420.534 5.593 0 40 HKAB Cc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(C(F)(F)F)n2)cc1 225946394 NSFZLCORCHAWJN-UHFFFAOYSA-N 418.444 5.083 0 40 HKAB COc1cc(-c2cc3ccccc3oc2=O)c(Cl)cc1C(=O)OC1CCCCC1 226358109 YSKJQVDSTXGSDB-UHFFFAOYSA-N 412.869 5.612 0 40 HKAB O=C(c1nccc2ccccc12)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257206865 BFFRWYBUDJWDGB-OAQYLSRUSA-N 417.896 5.444 0 40 HKAB CCOc1c(Cl)cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl 408559828 WSVQDSJUYYNXKP-QGZVFWFLSA-N 402.730 5.824 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408680018 XTKOOLFGGPGLBS-UHFFFAOYSA-N 414.480 5.999 0 40 HKAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1cc(Cl)ccc1Cl 408714395 PXJYKRNJOCFKAR-UHFFFAOYSA-N 418.324 5.613 0 40 HKAB COc1cc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1O 408816427 YRMPRZJNMFESQP-JEHIIPDMSA-N 423.558 5.455 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1C 409119776 QHXXANMWPZOJPT-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB CCC(CC)Nc1ccc2c(c1)CNCCCCCCCN2C(=O)c1cccnc1 643574538 ZKPHJFBCZFTMTK-UHFFFAOYSA-N 408.590 5.383 0 40 HKAB CCOC(=O)[C@@H]1C(c2ccc(Oc3ccc(Cl)cc3)cc2)=NOC12CCCCC2 1857780971 YVOPGKIJXYOYFL-FQEVSTJZSA-N 413.901 5.749 0 40 HKAB Cc1cccc(NC(=O)c2ccc(Cl)c(NC(=O)[C@@H](C)Oc3ccccc3)c2)c1C 713063 TWWLOKISSDKWPI-QGZVFWFLSA-N 422.912 5.615 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cccs1 1094360 BTEHVDVDBLREBJ-UHFFFAOYSA-N 404.878 6.615 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 1843403 WUZMPBCBZOTWMI-UHFFFAOYSA-N 400.569 5.109 0 40 HKAB O=C(COC(=O)c1ccccc1Nc1ccccc1)c1ccc(-c2ccccc2)cc1 1864597 FPHWDXDSYBLLJA-UHFFFAOYSA-N 407.469 6.137 0 40 HKAB Cc1c(-c2ccccc2)nc2c(Cl)cccc2c1C(=O)OCC(=O)c1ccccc1 2079598 BRJGALZZAPRJJX-UHFFFAOYSA-N 415.876 5.903 0 40 HKAB CCCCCCSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCCC4 2326005 KKLRWDMDVJYTMW-UHFFFAOYSA-N 422.623 6.557 0 40 HKAB CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1Cl 2393692 IFHDANWTJZNZLM-NIYFSFCBSA-N 416.285 5.471 0 40 HKAB Cc1oc2cc(OCc3ccc(Cl)cc3Cl)ccc2c(=O)c1-c1ccccc1 2426563 PRDCBAURNVLQQG-UHFFFAOYSA-N 411.284 6.654 0 40 HKAB biogenic COc1ccc(-c2nn(-c3ccccc3)cc2COC(=O)c2ccc(Cl)cc2)cc1 2636177 NAYBWRGMNBYEGA-UHFFFAOYSA-N 418.880 5.558 0 40 HKAB O=C(Nc1ccc(Cl)cc1F)c1sc2cc(Cl)cc(Cl)c2c1Cl 2638674 VRYGCQHTHHXRRI-UHFFFAOYSA-N 409.096 6.906 0 40 HKAB Cc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)c3ccccc3n2)cc1C 2742379 NJJNWOJGCQOMSQ-UHFFFAOYSA-N 421.544 5.481 0 40 HKAB O=C(Nc1cc2nsnc2cc1Br)c1sc2ccccc2c1Cl 3020467 ZFTGMBKEMOVPGY-UHFFFAOYSA-N 424.732 5.574 0 40 HKAB O=C(c1cnc(Nc2ccc(Cl)c(Cl)c2)s1)c1ccc(Cl)cc1Cl 3029479 UNPLSIXTBZUHFT-UHFFFAOYSA-N 418.132 6.731 0 40 HKAB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1 4061524 HHSXYDOROIURIP-JJXUULFNSA-N 420.593 6.063 0 40 HKAB biogenic,in-vitro Cc1ccc(C2=Nc3ccccc3S[C@@H](c3ccc(Br)cc3)C2)cc1 4070217 RTELWESPSVBJCM-JOCHJYFZSA-N 408.364 7.115 0 40 HKAB CCCCOc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 4345712 BFABCJHENDWAAN-FQEVSTJZSA-N 409.461 5.032 0 40 HKAB COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)cc1F 4411772 HVUXUIFQERZYFS-UHFFFAOYSA-N 420.509 5.193 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)c(O)c2)N3)C1 4554558 NNXNEHWXYZHHOE-ORAYPTAESA-N 400.544 5.432 0 40 HKAB CCc1nc2sc(C(=O)Nc3cc(Cl)ccc3OC)c(N)c2c2c1CCCC2 4663667 ARVNHEOQFRVHDC-UHFFFAOYSA-N 415.946 5.234 0 40 HKAB COc1cccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2c(F)cc(F)cc23)c1 4970285 OLNNKQODUWNSJF-UHFFFAOYSA-N 415.443 6.144 0 40 HKAB O=C(O)O[C@@]1(CC2c3ccccc3-c3ccccc32)C(F)=C(F)C(F)=C(F)[C@H]1F 5225934 YQCQZAIPKWXXJX-WIYYLYMNSA-N 408.322 6.275 0 40 HKAB Cc1c(C(=O)OCCOc2ccc(Cl)cc2)oc2ccc(Br)cc12 5937199 SODZLZXPZBXRJO-UHFFFAOYSA-N 409.663 5.393 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2cccc(Cl)c2C)cc1OC 6204566 RRKIPLPVZSLTJI-UHFFFAOYSA-N 412.711 5.461 0 40 HKAB CCCC[C@](CC)(CCCNC(=O)c1cccc(C)c1)CNC(=O)c1cccc(C)c1 6264639 CEHSIVFSVUSZIJ-HHHXNRCGSA-N 422.613 5.830 0 40 HKAB CC(C)c1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 6377546 CSXFPZAGBSYNFJ-UHFFFAOYSA-N 402.494 5.033 0 40 HKAB CSCC[C@H](NC(=O)c1oc2c(Cl)cccc2c1C)c1nc2ccccc2[nH]1 6551737 FHQPQPJHIKGSKU-KRWDZBQOSA-N 413.930 5.495 0 40 HKAB COc1cccc(C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)c1 6732785 PMUMOKZPNHQWRG-UHFFFAOYSA-N 405.837 5.578 0 40 HKAB Cc1cccc(-c2nnc(S[C@@H](c3ccccc3)c3ccc(Cl)cc3)n2C)c1 6862437 CPIHNVMZKAJGIX-NRFANRHFSA-N 405.954 6.326 0 40 HKAB Clc1ccc(COc2ccc3ccccc3c2CNC2CCCCCCC2)cc1 7522673 DRGPLNGLCIQXQO-UHFFFAOYSA-N 407.985 7.275 0 40 HKAB CC(C)c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1 7603206 AJDNYJRVMAWFLM-BOPFTXTBSA-N 400.887 5.731 0 40 HKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1cccc(Cl)c1 8367670 LOZCZUIXIDHFHR-UHFFFAOYSA-N 412.880 5.788 0 40 HKAB COc1ccc(NC(=O)c2ccc(CSc3ncnc4ccccc34)cc2)cc1 8401746 XWGMHSBWEVFCEH-UHFFFAOYSA-N 401.491 5.183 0 40 HKAB CCOc1ccc([C@H]2CN3C(=O)c4ccccc4[C@H]3c3[nH]c4ccccc4c32)cc1OC 8790305 GHHPOAMANWJCMI-IBVKSMDESA-N 424.500 5.266 0 40 HKAB biogenic Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2cccs2)n(C2CCCC2)c1C 8992781 MHXFFXPCJDXOGZ-UHFFFAOYSA-N 404.539 6.077 0 40 HKAB CCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccc(OC)cc1 9060015 DKIZPRPRZVZBBT-UHFFFAOYSA-N 402.498 5.319 0 40 HKAB Cc1ccc2oc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)c(C)c2c1 9250762 SJQQBVQVOMDFHL-NRFANRHFSA-N 410.945 5.660 0 40 HKAB COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(Cl)cc2)cc1 9327969 GJJWGTPHEVUKKD-UHFFFAOYSA-N 421.905 5.843 0 40 HKAB c1csc(-c2nnc3sc(CCn4c5ccccc5c5ccccc54)nn23)c1 9420872 YQIUDUJIVPGLQA-UHFFFAOYSA-N 401.520 5.265 0 40 HKAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(-c3cccs3)o2)c1 9793204 UEYRTWRVJOMASO-UHFFFAOYSA-N 421.547 5.432 0 40 HKAB Cc1cc(C(=O)N2CCC(c3nc4ccc(F)cn4c3NC(C)(C)C)CC2)cs1 12087492 QDODNQWNBKVGNO-UHFFFAOYSA-N 414.550 5.074 0 40 HKAB CC(=O)Nc1cccc(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)c1 12861786 YRHQLSWYJRTNTD-UHFFFAOYSA-N 420.494 5.087 0 40 HKAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccc(F)cc1Cl 12897657 RLNXFFGBCPNWBX-IBGZPJMESA-N 406.935 5.188 0 40 HKAB CC(C)c1noc([C@@H](C)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)n1 13008893 QBEISPFSVKFZAC-OAHLLOKOSA-N 403.511 5.565 0 40 HKAB O=C(CCSCc1ccccc1)NCCSCc1ccc(Cl)c(Cl)c1 13688024 WKPJHRYRVHGUII-UHFFFAOYSA-N 414.423 5.666 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc2ccccc12 13946059 PDQVHRXKMHVWEG-UHFFFAOYSA-N 410.498 6.377 0 40 HKAB CCc1nn2c(c1-c1ccccc1)N=C(c1ccccc1OC)C[C@H]2c1ccccn1 14607633 CASHYLUKLLFPAC-QHCPKHFHSA-N 408.505 5.630 0 40 HKAB COc1cccc(-c2nc3c(c(=S)[nH]2)Cc2cc(C(C)(C)C)cc(O)c2O3)c1OC 15830910 RPPKKAAHPPAUNM-UHFFFAOYSA-N 424.522 5.523 0 40 HKAB Cc1ccc([C@H](CNC(=O)C(c2ccccc2)c2ccccc2)N2CCC(C)CC2)o1 15860327 YUVCOYKDCOUTIC-DEOSSOPVSA-N 416.565 5.309 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2sc3ccccc3c2Cl)N2CCCCC2)o1 15860406 PNENYKVHAJMLDV-INIZCTEOSA-N 402.947 5.413 0 40 HKAB CCN(Cc1nc(-c2cccc(Br)c2)no1)Cc1ccc(Cl)s1 16341595 LHDBRUYYNOTFJP-UHFFFAOYSA-N 412.740 5.236 0 40 HKAB O=C(Cn1nc(-c2ccccc2Cl)n(-c2ccccc2)c1=S)Nc1ccccc1 16768816 MTPNYSSCHXUAQV-UHFFFAOYSA-N 420.925 5.362 0 40 HKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC12CC3CC(CC(C3)C1)C2 17090520 QYXCOGKMXXYYQJ-DUXPYHPUSA-N 416.348 6.352 0 40 HKAB C[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)c(F)c1 17315410 IRVMMIGFNOCRQN-CQSZACIVSA-N 400.856 5.721 0 40 HKAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 17355825 AQDIYFKCVQCPHN-NXTQRVMMSA-N 424.614 5.027 0 40 HKAB Cc1cc(C)c(N/C=C2/C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)c(C)c1 18088263 OPSSHYDYXAKLKP-XSFVSMFZSA-N 416.908 5.905 0 40 HKAB Cc1nc([C@]2(O)CCCN(C3CCCC3)CC2)sc1COc1ccc(Cl)cc1 19705241 HOXMIPKXDUAOKL-QFIPXVFZSA-N 421.006 5.300 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2F)N2CCOCC2)c1C 19938617 AYPOPNPPFHVZTM-QFIPXVFZSA-N 424.541 5.178 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 20571686 RJDFVZGJEQEBPQ-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB Cc1ccc2c(C)c(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)oc2c1C 27662342 YJIYZJJGQVXBHX-QFIPXVFZSA-N 424.972 5.968 0 40 HKAB O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1cc(Cl)c2c(c1)OCO2 27815692 BGXAKFZMWKBSEJ-MRXNPFEDSA-N 424.909 5.173 0 40 HKAB Cc1ccccc1C1=N/C(=C\c2ccccc2OC(=O)c2ccc(Cl)cc2)C(=O)O1 33456130 OVWMXMPYCATCLO-ZHZULCJRSA-N 417.848 5.212 0 40 HKAB O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1 35646077 PPCRLFBMAOJEIH-WQRHYEAKSA-N 415.301 6.145 0 40 HKAB O=c1[nH]c(=S)n(C2CC2)c2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)c12 36614400 SHKLCKMTDCBXJP-UHFFFAOYSA-N 403.838 5.190 0 40 HKAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)/C(=C/c1ccco1)c1ccccc1 44859817 LKMVDYSHIUBTPV-FCDQGJHFSA-N 414.505 5.475 0 40 HKAB Cc1nn(C)c2c1[C@@H](c1ccccc1OCc1cccc(Cl)c1)SCC(O)=N2 44919946 JOFGNWAKEMPQDM-HXUWFJFHSA-N 413.930 5.385 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1cc(NC(=O)c2ccco2)ccc1C 57313897 SLGAIXDLVVHGOF-UHFFFAOYSA-N 400.434 5.254 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2)c1 57313900 IIUDVICBQQGLPX-BMRADRMJSA-N 422.484 6.159 0 40 HKAB O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)c1ccc(-n2cccc2)cc1 58377911 KNWZDWTYJUWNBJ-UHFFFAOYSA-N 407.901 5.009 0 40 HKAB O=C(CCCc1nnc(-c2ccccc2)o1)Nc1ncccc1OCC1CCCCC1 62587222 URXGIELKXSYPTA-UHFFFAOYSA-N 420.513 5.052 0 40 HKAB Cc1cccc(-c2noc(-c3cn(-c4ccc(C)c(C)c4)c(=O)c4ccccc34)n2)c1 67245275 QYEGMVHTGAZANK-UHFFFAOYSA-N 407.473 5.633 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4cc(F)ccc4F)nccn3n2)cc1C 67289900 CWPWSOVQLDAHLR-UHFFFAOYSA-N 424.476 5.022 0 40 HKAB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1C 107584343 XIPDLEYGAMJQRS-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB COc1cccc(CC[C@@H]2CCCCN2C(=O)c2ccc(N3CCC(C)CC3)cc2)c1 141537737 RFLVJICXNZJGHA-VWLOTQADSA-N 420.597 5.559 0 40 HKAB COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c1 214771212 NWKLZMJJUKVURT-RQZCQDPDSA-N 424.305 5.247 0 40 HKAB COC(=O)c1cn(C(=O)c2ccc(OCc3ccccc3Cl)cc2)c2ccccc12 222611351 UDQZCRHTYLAEGE-UHFFFAOYSA-N 419.864 5.349 0 40 HKAB Cc1ccc(C)c([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1 223164226 LACIPHYBMFBBQL-OSVNEOKWSA-N 404.535 5.013 0 40 HKAB O=C(Cc1ccc(Cl)cc1F)NCCSCc1ccc(Cl)c(Cl)c1 223674212 MQLBFIOTLQTPMN-UHFFFAOYSA-N 406.737 5.378 0 40 HKAB S=C(NCC1(c2ccccc2)CCCCC1)Nc1ccc(N2CCCCCC2)nc1 223994017 NWRWYYNPAFQNKM-UHFFFAOYSA-N 422.642 5.651 0 40 HKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1cccc(Cl)c1 225831534 DZIBOQABNKLNHE-UHFFFAOYSA-N 403.869 5.628 0 40 HKAB COc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccc(C(C)(C)C)cc1 226288112 OVZHCIAZRPDJRI-UHFFFAOYSA-N 414.505 5.405 0 40 HKAB C[C@@H]1O[C@@H]2c3cccc(O)c3O[C@@](C)(CCc3ccccc3)[C@H]2C[C@@H]1c1ccccc1 257224674 FCVFNMBWUHBWDS-IORSFGAYSA-N 414.545 6.426 0 40 HKAB CC1(C)Oc2ccc(CCC(=O)O)cc2[C@H]2O[C@H]3CCCc4ccccc4[C@H]3C[C@@H]21 257304193 SKLIWOQNAHHFSG-TVPUMLRDSA-N 406.522 5.441 0 40 HKAB Cc1ccc2cc(C(=O)N3CCC[C@@H](c4ncc(Cc5ccc(F)cc5)o4)C3)[nH]c2c1 257314395 UWTMETVHWUUXDY-LJQANCHMSA-N 417.484 5.214 0 40 HKAB COc1cc(C(=S)NCc2ccc(F)cc2)ccc1OCc1ccccc1Cl 408578399 YAPAVMBHBFDOFF-UHFFFAOYSA-N 415.917 5.532 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2ccc(Cl)cc2)c1 408697197 FXSDMQGVTUBGJJ-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)NCCSCc2ccccc2Cl)cc(C)c1Cl 408706183 WUSCIZAXCHHCQK-HNNXBMFYSA-N 412.382 5.427 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)nn2-c2ccccc2C)cc1 408724125 FVBXOPRVJLKUOL-UHFFFAOYSA-N 401.897 6.062 0 40 HKAB COc1ccc2c(c1)-c1nc(NC(=O)c3ccc(Cl)cc3Cl)sc1CC2 409055571 ZROATKWVJGXJRD-UHFFFAOYSA-N 405.306 5.476 0 40 HKAB O=C(Nc1ccc(F)cc1)c1sccc1SCc1ccc(Cl)cc1Cl 1393217 DLEAZLDWNQJEGA-UHFFFAOYSA-N 412.338 6.739 0 40 HKAB CCc1ccc2nc(-c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc(C(=O)O)c2c1 1886968 LBDTXESSXFAHPX-UHFFFAOYSA-N 412.272 6.729 0 40 HKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@H](C)C3 2293305 FTAPAAUTXSZOEU-AWEZNQCLSA-N 414.596 5.473 0 40 HKAB CCCCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 2401263 ADUUBKGZIDUFLV-UHFFFAOYSA-N 405.592 6.678 0 40 HKAB CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(C(C)C)cc1 2427851 QVUQQUFVDLBXEO-QDPGVEIFSA-N 403.503 5.533 0 40 HKAB C[C@@H](Oc1ccc2cc(Br)ccc2c1)C(=O)c1ccc(C(C)(C)C)cc1 2637234 AFSYCRXBSKOVGS-OAHLLOKOSA-N 411.339 6.550 0 40 HKAB O=C(O)c1ccc([C@@H]2NC[C@H](c3ccccc3Cl)c3c2[nH]c2ccccc32)cc1 2653519 XEPVZMXQAWUWOU-GCJKJVERSA-N 402.881 5.344 0 40 HKAB Cc1ccc(-n2c(SCc3ccc(Cl)cc3)nc3c(c2=O)SCC3)cc1 2719805 AAHKKRIROLHOHR-UHFFFAOYSA-N 400.956 5.135 0 40 HKAB Cc1cccc(C)c1NC(=O)C1(N(C)C(=O)c2ccccc2)CCC(C(C)(C)C)CC1 3108290 DEMBEXXFHXPVQQ-UHFFFAOYSA-N 420.597 5.989 0 40 HKAB Cc1nn(-c2nc3ccccc3s2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 3200125 ADJPUNRSXGBOID-UHFFFAOYSA-N 410.424 6.024 0 40 HKAB COc1ccc(-c2cc(C(=O)N[C@@H]3CCCc4ccccc43)c3ccccc3n2)cc1 3216215 DGUMLMYSFDISSN-XMMPIXPASA-N 408.501 5.718 0 40 HKAB CC[C@@H](C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 3216351 JEUSAERECDCNFX-CYBMUJFWSA-N 400.689 5.322 0 40 HKAB Cc1ccc(SCCNC[C@H](O)COc2ccc(C(C)(C)C)cc2C)cc1C 3384188 FXVKDSVEFSJFBT-NRFANRHFSA-N 401.616 5.031 0 40 HKAB O=c1c2ccccc2nc(SCc2ccc(F)cc2Cl)n1Cc1ccccc1 3437180 GWVQRSTXENBJGC-UHFFFAOYSA-N 410.901 5.530 0 40 HKAB C[C@H](Oc1ccccc1F)C(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 3655463 MVWGBNMBVHSRHA-HNNXBMFYSA-N 403.409 5.209 0 40 HKAB CCOC(=O)c1c(NC(=O)Nc2cccc(C(F)(F)F)c2)sc2c1CCCC2 4419271 ZVNZBHFQKDWDAS-UHFFFAOYSA-N 412.433 5.466 0 40 HKAB CCOc1ccccc1NC(=S)NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1 4857300 VEOYJBYUHPFCCH-AYHJJNSGSA-N 415.628 5.019 0 40 HKAB Cc1cccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(Br)cc3)o2)c1 4926324 SNYKIOAOBVUDTH-LBPRGKRZSA-N 403.301 5.171 0 40 HKAB Cc1cccc(-c2c(NC(=O)c3ccccc3Cl)n(C)c3ccccc3c2=O)c1 5245962 LJTNJDKIVCKCSV-UHFFFAOYSA-N 402.881 5.420 0 40 HKAB CC(=O)N(c1nc(COC(=O)c2ccc(C)s2)cs1)c1c(C)cc(C)cc1C 5974824 PADVKMMPYHBYHG-UHFFFAOYSA-N 414.552 5.480 0 40 HKAB COc1ccc(-c2nnc([C@@H](C)Sc3nc(C4CC4)n(-c4ccccc4)n3)o2)cc1 7692192 YCGQVERADDFXIT-CQSZACIVSA-N 419.510 5.057 0 40 HKAB O=C(CCCSc1nc2ccccc2s1)NCc1ccc(Cl)cc1Cl 7735728 QUODMMPORHRMBC-UHFFFAOYSA-N 411.379 5.792 0 40 HKAB CC(C)Sc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 8480037 NTXNXQWHYGMCOT-UHFFFAOYSA-N 404.535 5.369 0 40 HKAB Clc1cc2nc(-c3cccnc3Cl)n(Cc3ccccc3Cl)c2cc1Cl 8733549 IEIIVLFPSZWMPB-UHFFFAOYSA-N 423.130 6.760 0 40 HKAB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)NC(=S)N1c1ccccc1 8872397 CGNNPXFTDUQHCC-BOPFTXTBSA-N 415.301 5.516 0 40 HKAB Clc1ccccc1-c1noc(CSc2nnc(-c3cccs3)n2C2CC2)n1 9669915 IUJBMLPKUFSOSB-UHFFFAOYSA-N 415.931 5.337 0 40 HKAB C[C@@H](Sc1nnc(-c2ccccc2)o1)c1nc(-c2cccc(C(F)(F)F)c2)no1 10769035 AOTTZQADZVSVQW-LLVKDONJSA-N 418.400 5.659 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2ccc3c(c2)OCCO3)on1 11916854 DCEYMUNMOSBYKQ-UHFFFAOYSA-N 424.762 5.037 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 12600507 NRLCZUDRRBTFJS-RFWXGWTQSA-N 422.521 5.078 0 40 HKAB CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccccc2Cl)cc1 13030743 RSOFSWHYZCGXSL-LJQANCHMSA-N 402.969 7.088 0 40 HKAB CN(Cc1ccccc1)Cn1nc(-c2ccccc2Cl)n(C2CCCC2)c1=S 13074148 OSQMPBPDVIUVAM-UHFFFAOYSA-N 412.990 5.939 0 40 HKAB COc1ccc(C(C)=O)cc1COC(=O)c1oc2ccc(Br)cc2c1C 13129779 BCTNZWVTUJQWLY-UHFFFAOYSA-N 417.255 5.072 0 40 HKAB O=C(O)c1ccc(Cl)c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 13167686 IOEUQJSVMQYZGF-UHFFFAOYSA-N 400.670 5.812 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 13716989 UDCXJVWWZPMHRK-UHFFFAOYSA-N 403.831 6.520 0 40 HKAB O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)c1ccccc1Cl 13810917 SFLSBDNJQBHHIL-UHFFFAOYSA-N 415.305 5.097 0 40 HKAB CCN(CC)C(=O)C(=O)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 14136075 NCXIHWXFLLAAOB-UHFFFAOYSA-N 403.309 5.048 0 40 HKAB Cc1ccc(-c2nn(CN(C)[C@@H](C)c3nc4ccccc4s3)c(=S)n2C)cc1 14231005 PTHOMVXXBXCLGS-HNNXBMFYSA-N 409.584 5.187 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(Br)cc1 14412782 PLRXAJBLGJRDLG-UHFFFAOYSA-N 402.675 6.147 0 40 HKAB COc1cc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cc(OC)c1 15075476 BSOQPWAUTHUVBF-UHFFFAOYSA-N 420.490 5.390 0 40 HKAB COc1ccc(-c2noc(CN3CCc4sccc4[C@@H]3c3cccs3)n2)cc1 15548829 NDYGDUPWUYUQGQ-HXUWFJFHSA-N 409.536 5.016 0 40 HKAB O=C(C[C@H](c1ccccc1)N1CCc2ccccc2C1)c1ccc(Br)cc1 16477268 ONQYTFMUKJJGAX-HSZRJFAPSA-N 420.350 5.822 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2cc3c(cc2OCC)C[C@@H](C)O3)cc1OC 21837503 GVERCUVGOUIIBJ-CYBMUJFWSA-N 419.905 5.112 0 40 HKAB c1ccc(C(c2ccccc2)N2CCN(C3=Nc4cccc5cccc3c45)CC2)cc1 25329527 HVZWNBKIBFDLPP-UHFFFAOYSA-N 403.529 5.639 0 40 HKAB O=C(NCCSc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38836821 PPMRFZWFPSLCHP-QGZVFWFLSA-N 423.409 5.114 0 40 HKAB Cc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)c1C 57486686 PJFGLTWAFQTLDF-UHFFFAOYSA-N 406.873 5.114 0 40 HKAB Cc1cc2oc(=O)cc(CN(Cc3ccccc3)Cc3ccccc3)c2cc1C(C)C 57945241 OZKQTSVUAVJNML-UHFFFAOYSA-N 411.545 6.427 0 40 HKAB O=C(NC1CCCCC1)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Cl)nc2c1 59843024 UTTFJZJVBODRHY-UHFFFAOYSA-N 423.727 6.518 0 40 HKAB COc1ccc(Cn2c(SCc3ccccc3C)nc3ccccc3c2=O)cc1 67258811 HRCSVMBVUVXPRO-UHFFFAOYSA-N 402.519 5.054 0 40 HKAB O=C(CCCc1ccc(F)cc1)N1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1 72353158 LZGAGCCIXDTONG-JOCHJYFZSA-N 422.479 5.185 0 40 HKAB CCCN(CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 100744251 RJLPRFHBCYYQNW-AHWVRZQESA-N 409.614 6.286 0 40 HKAB biogenic Cc1ccc(NC(=O)OC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1NC(=O)OC[C@H]1C[C@@H]2C=C[C@H]1C2 100805827 JGRJEHXNIXINLI-LEKSSAKUSA-N 422.525 5.516 0 40 HKAB C1=C(c2ccccc2)Nc2ncnn2[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 101088067 BYRLTRZMBCPKFW-OAQYLSRUSA-N 422.517 5.248 0 40 HKAB Clc1ccc2oc(-c3ccccc3)c/c(=N/c3nc(-c4ccccc4)cs3)c2c1 101168614 XKQFACJLQLOMNL-QOMWVZHYSA-N 414.917 7.109 0 40 HKAB COC(=O)CN1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(OC)cc1 102644757 VZWAEBHPQYJDLC-XMMPIXPASA-N 420.509 5.134 0 40 HKAB Clc1ccc(NC(NCc2ccccc2)=C(c2ccccc2)c2ccccc2)cc1 105628090 POSLUUGKTZCCDP-UHFFFAOYSA-N 410.948 6.959 0 40 HKAB CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(C)cc1 106973881 JLFHQLJKPKOMDK-UHFFFAOYSA-N 411.929 6.247 0 40 HKAB O=C(Nc1ccc(Cc2ccncc2)cc1)N1c2ccccc2Sc2ccccc21 224317145 VZVFCTPQDDEJKJ-UHFFFAOYSA-N 409.514 6.507 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCC2)cc1COc1cccc(Cl)c1 224485770 KVFPVMOICRGGDN-UHFFFAOYSA-N 401.934 5.770 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(Cl)c3C)o2)cc1 224908659 DNFFAYOYFYCKST-UHFFFAOYSA-N 418.880 6.231 0 40 HKAB Cc1ccc(-c2nnc(NC(=O)CSCc3ccc(Cl)cc3F)s2)cc1 225287146 JLJAKXUKEOFZNY-UHFFFAOYSA-N 407.923 5.178 0 40 HKAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 225360780 VLJJDEVKUAAGFO-XZOQPEGZSA-N 419.550 5.482 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225703471 DQUKBRSWNMMQOT-DEOSSOPVSA-N 404.595 5.255 0 40 HKAB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C(F)(F)F 225758247 OYVJSPJQISHILD-UHFFFAOYSA-N 405.460 6.253 0 40 HKAB Cc1cc(-c2ccc(C(=O)Nc3cc(N)ccc3Cl)o2)ccc1Br 226764092 CZWGAKWMLXPPRF-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB CC(=O)OC[C@@H](OC(C)=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 253596502 RZMRLFZKLOVKNA-WRACAZQSSA-N 404.591 5.530 0 40 HKAB CCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 253611254 HVJCKZFYZWPQOO-NPWHHXEDSA-N 414.718 8.433 0 40 HKAB O=C(c1ccccc1-c1ccccc1)N1CCOC[C@H](Cc2cccc3cccnc23)C1 257228651 FURYIZXFSDHHMZ-OAQYLSRUSA-N 422.528 5.233 0 40 HKAB CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)N=C4SC[C@H](CC)N43)o2)cc1 260753039 AZSODEDGHIIOEC-JJEOQYAHSA-N 419.550 5.720 0 40 HKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3C4=CC[C@H]([C@@H]5COC(=O)C5)[C@]4(C)CC[C@H]32)C1 263606862 RIXRDVKJMJLULT-JRRIDDKQSA-N 400.559 5.060 0 40 HKAB CCOc1ccc2ccccc2c1/C=C1\S[C@@H](Nc2ccc(CC)cc2)NC1=O 408768345 WIUFHGNSLRXIRN-FCKOQQNDSA-N 404.535 5.401 0 40 HKAB CC(C)Cn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)cc1Cl 409098319 KYWAXCQJHLRTRG-UHFFFAOYSA-N 406.382 6.124 0 40 HKAB CCOc1cc(CNc2cc(C)ccc2C)ccc1OCc1cccc2ccccc12 409116864 MGESDACZCVFNLH-UHFFFAOYSA-N 411.545 7.046 0 40 HKAB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 409253129 DTWXFBIPVNQXTE-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB O[C@@H]1[C@H](NCc2ccccc2)CCCC[C@H]1N(Cc1ccccc1)Cc1ccccc1 585263544 CGZGOEINFCFGKK-JCYYIGJDSA-N 414.593 5.151 0 40 HKAB CC(C)=CCC[C@@]1(C)Oc2cc(-c3ccc(C(=O)O)cc3)ccc2[C@@H]2O[C@H](C)CC[C@H]21 585265832 RFGYGDWSEORNED-UBJKNDRWSA-N 420.549 6.806 0 40 HKAB CC(C)=CCC[C@]1(C)Oc2ccc(-c3ccccc3C(=O)O)cc2[C@@H]2O[C@H](C)CC[C@H]21 2037873409 IKFZHKISIKNJED-BIIVWMMYSA-N 420.549 6.806 0 40 HKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)c(Cl)c4)c(N)c3cc2C1 661828 OSIMNZZFAKKFFJ-LLVKDONJSA-N 415.946 5.308 0 40 HKAB O=C(CN(C(=O)c1ccccc1)C1CCCCC1)Nc1nc(-c2ccccc2)cs1 976148 IOPXKUUIUWJCKY-UHFFFAOYSA-N 419.550 5.224 0 40 HKAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 1379727 SXWCEAGHSGZVFA-HSZRJFAPSA-N 415.493 5.422 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cccn(Cc2c(Cl)cccc2Cl)c1=O 1391119 ZJMQREMRICNWOY-UHFFFAOYSA-N 407.684 5.109 0 40 HKAB O=C1C[C@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1 2304548 UOTZMYFNRQBMEM-QHCPKHFHSA-N 422.311 5.633 0 40 HKAB CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 2321933 HKOYNSHACORNSJ-AWEZNQCLSA-N 416.612 5.885 0 40 HKAB O=c1oc2ccc(Cl)cc2c(-c2ccccc2)c1-c1ccc(Cl)cc1Cl 2576868 HXUUMFSIXSWHKY-UHFFFAOYSA-N 401.676 7.087 0 40 HKAB biogenic CCOC(=O)Cc1csc(SCc2csc(Nc3ccc(C)cc3)n2)n1 2652049 PWGRRDDUZYPVSE-UHFFFAOYSA-N 405.570 5.050 0 40 HKAB COc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4cccc(C)c4)cc2-3)cc1 2690108 LQLJGBSYMRNGIH-UHFFFAOYSA-N 409.489 5.577 0 40 HKAB COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCc1ccccc1Cl 2744950 QABHRIZGINSDAF-MOSHPQCFSA-N 419.864 5.272 0 40 HKAB CCc1ccccc1NC(=O)Nc1cccc(NC(=O)Nc2ccccc2CC)c1 3074917 JTMDJCSDHIZMLD-UHFFFAOYSA-N 402.498 6.099 0 40 HKAB COc1ccc2c(Cl)c(C(=O)OCC(=O)Nc3ccccc3)sc2c1Cl 3262031 QALNXNWGOKVRJF-UHFFFAOYSA-N 410.278 5.012 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 3300389 OWBZOSSNDGCHCL-SFHVURJKSA-N 415.489 5.227 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1ccc(-c2nc3ccccc3s2)s1 3319765 DPCZJESTBLBWGB-UHFFFAOYSA-N 415.337 6.040 0 40 HKAB CCc1nc2ccccc2c(C(=O)OCCOc2ccc(Br)cc2)c1C 3343241 XWMQQRHOGUBUMO-UHFFFAOYSA-N 414.299 5.104 0 40 HKAB CCCCc1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)cc1 3348710 LBICQASSRKGIRS-UHFFFAOYSA-N 416.521 5.252 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC[C@@H]3CCCCN3C)cc12 3457075 IVNSCENAXLPIGE-INIZCTEOSA-N 417.962 5.080 0 40 HKAB COc1ccc(CNCC[C@H](Cc2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1OC 4028801 XENNHJMHYSULQK-DHIUTWEWSA-N 411.586 5.248 0 40 HKAB biogenic O=C(Cc1ccccc1)Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1 4078240 NFZOMSHQUAWNBG-UHFFFAOYSA-N 409.458 5.030 0 40 HKAB Cc1cccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)c1 4699592 MWYQFGQNWRFXSP-UHFFFAOYSA-N 404.897 6.832 0 40 HKAB CSc1ccc(-c2nc3cc(C)ccn3c2Nc2ccc3c(c2)OCCO3)cc1 4733622 ZRCGXKHOJYVERW-UHFFFAOYSA-N 403.507 5.546 0 40 HKAB COc1ccc2sc(N(Cc3cccnc3)C(=O)c3cccc(Cl)c3)nc2c1 5142280 CEUUBAWZVZMTMO-UHFFFAOYSA-N 409.898 5.200 0 40 HKAB CC(C)Cc1nc2sc3c(N4CCCC[C@H]4C)ncnc3c2c2c1COC(C)(C)C2 5156651 BKZQHRDZQZWNRK-OAHLLOKOSA-N 424.614 5.668 0 40 HKAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2Cl)cc1 5365943 QKNXOHMZZCLOIW-OAHLLOKOSA-N 408.885 5.371 0 40 HKAB COc1ccccc1-c1nnc(S[C@H]2CCCCC2=O)n1-c1ccc(Cl)cc1 5736566 ZEZOKMXEGZGPMP-IBGZPJMESA-N 413.930 5.200 0 40 HKAB COc1cccc(NCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)c1 6161549 ZEGLYHQMOTZYGW-UHFFFAOYSA-N 422.337 5.100 0 40 HKAB COc1cc(C)c(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1OC 6259192 IOHIUYUNTYXIGN-UHFFFAOYSA-N 419.506 5.179 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cccc(-c3cn4c(C)csc4n3)c2)cc1 7415618 FUKJOXRLBXLIGO-UHFFFAOYSA-N 405.523 5.802 0 40 HKAB CC[C@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7929488 SNRBUVLBKNJDMU-KBPBESRZSA-N 406.309 5.465 0 40 HKAB CC[C@@H](Nc1nc(C(F)(F)F)nc2ccccc12)c1ccc(Br)cc1 8072596 GBJQWPSSQHUYCL-CQSZACIVSA-N 410.237 5.974 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](N[C@H](C)c1ccccc1Cl)c1ccccc1 8173474 POACSMSRDZOQLX-HXOBKFHXSA-N 408.929 5.769 0 40 HKAB O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)c1ccccc1Br 8188554 NXGQNDITRXJXDT-UHFFFAOYSA-N 410.227 5.011 0 40 HKAB COc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1F 8497327 FGZXLXTXOVADTL-DPDSROAVSA-N 423.572 6.108 0 40 HKAB C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](O)C(C)C)C[C@@H](O)C[C@@H]1O 8618064 BJYLYJCXYAMOFT-VURFPRPFSA-N 416.646 5.561 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)c(Cl)c3)s2)cc1 8739366 LKUOPERCZDAGFT-UHFFFAOYSA-N 406.338 6.062 0 40 HKAB COc1ccccc1-c1nc(C)c(-c2ccc(SCc3ccc(F)cc3)nn2)s1 8875840 QFFXIIZBBJMWHM-UHFFFAOYSA-N 423.538 6.016 0 40 HKAB Fc1ccccc1[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 9292399 SYBBVXWKLQAOTA-FPOVZHCZSA-N 422.301 6.084 0 40 HKAB CCOC(=O)c1oc2ccccc2c1NC(=O)CCCSc1ccc(F)cc1 9909275 GQZXDRQMVAKFHK-UHFFFAOYSA-N 401.459 5.260 0 40 HKAB CC(=O)c1sc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)nc1C 9972089 OFKZUCVIOPBHIY-UHFFFAOYSA-N 419.742 6.081 0 40 HKAB COc1ccc(NC(=O)[C@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)cc1Cl 10225103 ALMDPPGLURKODS-HNNXBMFYSA-N 411.933 5.037 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1nc2c(Cl)c(Cl)ccc2s1 12063190 QOPRMZGBTAKWAU-UHFFFAOYSA-N 422.120 5.927 0 40 HKAB CCc1cccc(CC)c1-n1c(SCc2ccc(Cl)cc2)nc(O)cc1=O 12636770 NFKCADHKAXHHRY-UHFFFAOYSA-N 400.931 5.009 0 40 HKAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(OC(F)F)cc1 12825403 CLAXNYNMPOVTPE-UHFFFAOYSA-N 408.401 5.023 0 40 HKAB O=C(c1ccc(F)cc1Br)N1CCC[C@@H](c2nc3ccccc3s2)C1 12979365 FYSPNEHRELGIHG-GFCCVEGCSA-N 419.319 5.218 0 40 HKAB CC[C@@H]1[C@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)C)cc1 13757256 WOCICPKRZGZPEY-FBQMUFCQSA-N 412.577 7.038 0 40 HKAB COc1ccc(C(C)(C)C)cc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 14771825 RGBLRKBCFIOPCY-UHFFFAOYSA-N 412.917 5.872 0 40 HKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)ccc2OC)N3)C1 15945373 RRZIGBJACPPHGS-BMLIUANNSA-N 421.360 5.463 0 40 HKAB Cc1ccc(OCc2nnc(SCc3c(F)cccc3F)n2-c2ccccc2)cc1 16789308 OCDGWLWRICTXQX-UHFFFAOYSA-N 423.488 5.725 0 40 HKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc2ccccc2c1 20152261 UEOFTPSLDFQDRD-UHFFFAOYSA-N 416.502 5.027 0 40 HKAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 20499888 QEHDSBTURZJPIB-RUZDIDTESA-N 400.522 6.173 0 40 HKAB CC(C)n1nccc1NC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 22290464 RLXHVEZZJOSJTE-UHFFFAOYSA-N 419.916 5.151 0 40 HKAB C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(F)cc1 22528815 MBIHFBVFEKJOLN-CYBMUJFWSA-N 408.311 5.142 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H](C)c1cc2ccccc2o1 23074679 ZGVZELMENISNLQ-LLVKDONJSA-N 415.276 6.194 0 40 HKAB CCc1ccc([C@H](NC(=O)Cc2csc(-c3ccsc3)n2)c2cccs2)cc1 29429144 PBTIUHHSSHVUKN-NRFANRHFSA-N 424.616 5.944 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(C)c1 32999889 RQOQNYWQHIUKQX-UHFFFAOYSA-N 412.411 5.827 0 40 HKAB CC(C)Cc1nnc(SCc2cc(=O)c3cccc(Cl)c3[nH]2)n1-c1ccccc1 33063787 HGPCGIOPEQZJHU-UHFFFAOYSA-N 424.957 5.253 0 40 HKAB Cc1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)ccc1Br 34765152 WKIKPGKCSRUBJM-UHFFFAOYSA-N 415.139 6.531 0 40 HKAB O=C(Cc1sc(-c2ccccc2)nc1-c1cccs1)N(Cc1ccco1)C1CC1 40060350 MBIALZHLPANVJT-UHFFFAOYSA-N 420.559 5.865 0 40 HKAB O=C(N[C@H](c1ccccc1)c1ccccc1Br)c1ccccc1Cl 67192379 KEERLIDVCPEBRV-LJQANCHMSA-N 400.703 5.622 0 40 HKAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72214834 CUGQFDADQHFYNH-FQEVSTJZSA-N 409.530 5.210 0 40 HKAB O=C(NCc1nn(C2CCCC2)c2c1CCCC2)Nc1cccc(C(F)(F)F)c1 96099257 ZIUZVVMBHIJZRT-UHFFFAOYSA-N 406.452 5.218 0 40 HKAB O=C(/C=C/c1ccccc1Cl)Nc1ccccc1Cc1nc(-c2cccs2)no1 96119725 SZBIDKLVVBYAFC-VAWYXSNFSA-N 421.909 5.694 0 40 HKAB CC1(C)CC2=NC(Nc3nc4ccccc4s3)=N[C@H](c3ccc(F)cc3)C2=C(O)C1 102658716 VFKNBTPOHORKIW-HXUWFJFHSA-N 420.513 6.031 0 40 HKAB CC(C)c1ccc(CN2CCCC[C@H]2C[C@@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 222014159 CGJGZEUKMNJJMJ-UKILVPOCSA-N 421.629 5.853 0 40 HKAB COc1ccc(CSCC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223270650 WVGUSGSFGNYRJZ-KRWDZBQOSA-N 401.572 5.246 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1cccc(Cl)c1 224493850 COURRLANUIHDGT-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1cccc(OC)c1 224586778 VDAZVMMEMJIILU-UHFFFAOYSA-N 405.494 5.488 0 40 HKAB C[C@H]1Cc2ccccc2N1C(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225834064 KEJZMWJETLXZIL-SFHVURJKSA-N 409.489 5.314 0 40 HKAB CCc1cc(Br)cc(CC)c1NC(=O)C(c1ccccc1)c1ccccc1 226092311 OYTMBCQLYDQFNE-UHFFFAOYSA-N 422.366 6.345 0 40 HKAB Cc1ccc(OCC(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)cc1 257201022 AFVOGJRMLBVLOW-LJQANCHMSA-N 424.928 5.012 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408781191 ALGXBTTZLHDHBJ-HSZRJFAPSA-N 422.937 5.367 0 40 HKAB O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1cccs1 408839720 VTFQRUJCQRKVKW-YRNVUSSQSA-N 424.728 5.723 0 40 HKAB Cc1cccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccc(Cl)cc2)c1 409101974 CDURPRBLEHCJNL-UHFFFAOYSA-N 419.937 5.871 0 40 HKAB O=C1S/C(=C/c2cc(Br)cs2)C(=O)N1CCCc1ccccc1 409136946 VQGPOYNOTFGHCY-XNTDXEJSSA-N 408.342 5.180 0 40 HKAB COCCCN1C(=O)S/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 409231593 LNFNDGWQTZRPSW-GHRIWEEISA-N 405.560 5.060 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]21)c1ccccc1 409372939 SUMGYRKREUKZNT-VURPSTOHSA-N 409.407 5.101 0 40 HKAB COc1ccc2sc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 1865966511 TZOSNXKANIKRQY-UHFFFAOYSA-N 420.334 5.595 0 40 HKAB O=C(Nc1cccc2ccccc12)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 672841 ZTXGNJYCGKGMRY-UHFFFAOYSA-N 418.452 6.036 0 40 HKAB Cc1ccc(-c2nnc(-c3cccc(NC(=O)c4ccc(Br)o4)c3)o2)cc1 693102 VTMJPVIIQSPOAH-UHFFFAOYSA-N 424.254 5.320 0 40 HKAB COc1ccc(-c2cc3cc(OC)c(OC)cc3c(-c3ccccc3)n2)cc1OC 729711 XPSYYQXDVXWNBB-UHFFFAOYSA-N 401.462 5.603 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc1 882106 OYURXZSCHZMYMQ-UHFFFAOYSA-N 421.909 5.583 0 40 HKAB CCc1ccc(Oc2coc3cc(OC(=O)c4ccc(F)cc4)ccc3c2=O)cc1 950723 BVSDQIPAHKOLFQ-UHFFFAOYSA-N 404.393 5.506 0 40 HKAB O=C(c1cccc(C(F)(F)F)c1)N1C[C@@H]2CCCN2c2ccc(C(F)(F)F)cc21 1385084 FFWWDUGLKYMYTQ-HNNXBMFYSA-N 414.349 5.353 0 40 HKAB CC(C)[C@@H]([C@H](F)C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 1586253 DSSFNGQBDOOLFJ-UIOOFZCWSA-N 419.540 5.795 0 40 HKAB CCc1ccc(Oc2coc3cc(OCc4ccccc4Cl)ccc3c2=O)cc1 1775080 LYFFXZTUYBWNJK-UHFFFAOYSA-N 406.865 6.380 0 40 HKAB CCn1c(NC(=O)c2ccccc2F)c(-c2ccccc2Cl)c(=O)c2ccccc21 2364267 SFJHCRQRUGKYRB-UHFFFAOYSA-N 420.871 5.733 0 40 HKAB CCCN(CCC)C(=S)Oc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 3089000 ZFQHNSNSRRWRQQ-UHFFFAOYSA-N 406.551 5.878 0 40 HKAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(-c2nc3ccccc3s2)c1 3225007 PZDRKVJMWOOJGW-OAHLLOKOSA-N 406.532 5.103 0 40 HKAB Cc1ccc(-c2csc(=S)n2CC(=O)Nc2ccc(OC(F)F)cc2)cc1 3351924 LPBXDJZMSCPKJN-UHFFFAOYSA-N 406.479 5.495 0 40 HKAB CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Br)cc1 3353656 ZGTVILFFTBZWHL-UHFFFAOYSA-N 416.388 6.106 0 40 HKAB CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2Nc2ccc(C)cc2)cc1 4335280 GRRPYXFLDNINIF-UHFFFAOYSA-N 402.519 5.682 0 40 HKAB Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2Nc2ccc(F)cc2)cc1 4372173 PJTXDZMFXLQMMC-UHFFFAOYSA-N 410.445 5.398 0 40 HKAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)N[C@H](C)c3ccccc3)c2c1 4610379 XFOIINHTVYQFKI-QGZVFWFLSA-N 414.936 6.609 0 40 HKAB Clc1ccc(OCc2nnc(SCc3c(Cl)cccc3Cl)o2)cc1 4976347 QXCWBLNSUXAETG-UHFFFAOYSA-N 401.702 5.901 0 40 HKAB Cc1ccc(NC(=O)[C@H](NC(=O)c2ccc(C)cc2)C23CC4CC(CC(C4)C2)C3)cc1 5165477 AFSRVQYCWPSEQV-ULCRDSCMSA-N 416.565 5.257 0 40 HKAB C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1ccccc1-c1ccccc1 5365748 LSSZDSMFVTZYDW-KRWDZBQOSA-N 405.519 5.634 0 40 HKAB CCCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCCC3)cc1 5615092 XUSKSWBYKXHRKS-UHFFFAOYSA-N 415.555 5.625 0 40 HKAB Clc1ccc(-c2nnc(CSc3nc(C4CC4)n(-c4ccccc4)n3)o2)cc1 6549467 QWRCOYAVAGYDPQ-UHFFFAOYSA-N 409.902 5.140 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 6566958 SELOFMTWMUWNPO-UHFFFAOYSA-N 417.512 6.391 0 40 HKAB O=C(c1cc2c(s1)CCCC2)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 6590740 CLNBVHQTOQQAKD-UHFFFAOYSA-N 413.930 5.135 0 40 HKAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OCc1cccs1 7364492 HZZXHXJSLVJXOA-JOCHJYFZSA-N 406.507 5.065 0 40 HKAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(-c2ccccc2F)o1 8429216 ZWEFHEYOHBPCBG-UHFFFAOYSA-N 416.456 5.323 0 40 HKAB CCn1c(CSc2nc(C)cc(C)n2)nc2cc(NC(=O)c3cccs3)ccc21 9421197 FEEMDJXBGLTQGW-UHFFFAOYSA-N 423.567 5.069 0 40 HKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)CC(C)C)n(Cc2ccccc2)c1C 9421687 CPOYDZPDMKSFDG-UHFFFAOYSA-N 400.526 5.681 0 40 HKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@H]2c2cccc(F)c2)cc1 9679140 JYHVEXODHLWPIS-HSZRJFAPSA-N 417.871 5.927 0 40 HKAB Cc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](/C=C/c1ccccc1)C3 10156915 MGCNKKHDIXXKHK-SXSDINLZSA-N 414.896 5.212 0 40 HKAB COc1ccc([C@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccc2)c(OC)c1 11549048 AHQLHNUJPYDPRB-RUZDIDTESA-N 415.533 5.590 0 40 HKAB O=C(NC[C@H](c1ccccc1Cl)N1CCCCCC1)c1cc(-c2ccccc2)on1 11905404 DZZIDJBXEYSMCT-JOCHJYFZSA-N 423.944 5.342 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Oc1ccc2nc(N3CCCC3)sc2c1 12489621 ACPDMMOBDHODSM-UHFFFAOYSA-N 423.321 5.188 0 40 HKAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)N[C@@H]1CCSc2ccccc21 12756185 VKOLMTJFDQGLJA-QGZVFWFLSA-N 414.527 5.137 0 40 HKAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1cc(Cl)ccc1Cl 12921534 PPRNWHSWHRJMFG-IBGZPJMESA-N 423.390 5.703 0 40 HKAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(OC2CCCC2)cc1 13670493 PJBZDRDGQQRKFM-UHFFFAOYSA-N 400.327 5.257 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cc(C)c1Cl 14400143 JPUFVWBYSOXCCT-QGZVFWFLSA-N 411.954 6.514 0 40 HKAB COC(=O)C[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 14809869 ZNFGBZMKKXSFPF-MPNRVQBSSA-N 412.700 5.081 0 40 HKAB CCc1ccc(/N=c2\scc(-c3cc4ccccc4o3)n2C[C@H]2CCCO2)cc1 15912193 RRUWYRRYPLXAJD-CPSPCKPPSA-N 404.535 5.937 0 40 HKAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2s1 17087841 MHWZJYPBZZIXRI-UHFFFAOYSA-N 408.310 5.594 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c(Cl)c1 17092046 RNVQIIJRVUEHGY-UHFFFAOYSA-N 419.956 5.223 0 40 HKAB O=C(CSCc1c(F)cccc1Cl)Nc1ccc(C(=O)c2ccccc2)cc1 18194712 ZYZXVPFAPXCNSQ-UHFFFAOYSA-N 413.901 5.582 0 40 HKAB CCc1ccc(NC(=O)c2cnc(Nc3nc(-c4ccccc4)cs3)nc2C)cc1 19819566 FOECFYHFJINNNX-UHFFFAOYSA-N 415.522 5.467 0 40 HKAB COc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(F)cc23)cc1 21017460 JGUHWOLTGHVJSG-UHFFFAOYSA-N 417.871 6.350 0 40 HKAB C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4cc(Cl)ccc4N4CCOCC4)cc3c2C1 23079070 DCAIYMARVWAITN-HNNXBMFYSA-N 423.944 5.035 0 40 HKAB CCOc1ccc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cc1OC 24829269 FGQLFWPBZBEOTR-UHFFFAOYSA-N 420.490 5.730 0 40 HKAB C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)no3)ccc2O1 28287006 QYLBKIUIYCYSJB-SNVBAGLBSA-N 422.790 5.590 0 40 HKAB COc1cc(CCc2ccncc2)ccc1Oc1ccc(CCc2ccncc2)cc1 35973612 HUJZBDACTOAJIG-UHFFFAOYSA-N 410.517 5.848 0 40 HKAB CCc1ccc(-c2noc(CCC(=O)Nc3ccc(-c4csc(C)n4)cc3)n2)cc1 40040025 AOYHVYSABMWQSE-UHFFFAOYSA-N 418.522 5.302 0 40 HKAB Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1 44934922 QFIWUUZNNDOWIX-KRWDZBQOSA-N 419.396 5.700 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 57351117 IGCCNTQNFKOOMF-NTCAYCPXSA-N 424.435 5.472 0 40 HKAB CN(C(=O)COc1ccc2ccccc2c1)[C@H](c1cccc(F)c1)c1ccccn1 58312024 NLFWJMVABWXHGE-RUZDIDTESA-N 400.453 5.001 0 40 HKAB O=C(NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)N1CCCSCC1 84587959 MQUXFCOLJMIRGE-SFHVURJKSA-N 413.974 5.102 0 40 HKAB Cc1c(-c2nnc3sc(COc4cccc5ccccc45)nn23)oc2ccccc12 96194360 NHUGGBRAHWQMLD-UHFFFAOYSA-N 412.474 5.640 0 40 HKAB COc1ccc([C@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc1OC 102863028 ZYGBQPSPIDFEHL-XMMPIXPASA-N 406.526 6.192 0 40 HKAB CC(C)n1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)c2ccccc21 214112136 ZFWSJZOCAKOXJK-RGVLZGJSSA-N 410.926 6.112 0 40 HKAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCc1ccc(Cl)cc1Cl 219455800 KRHPEWFYFJVMIY-UHFFFAOYSA-N 413.304 5.203 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1 223075897 IEXZVSTVNRQVTA-UHFFFAOYSA-N 418.924 5.802 0 40 HKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(CC)cc1 223739456 QGRQOJOQIHOLJH-VWLOTQADSA-N 422.613 5.214 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1CSc1ccc(C)cc1 224336887 QLXSHNTXSNGABG-UHFFFAOYSA-N 411.954 6.510 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccccc1C(C)C 224563970 OAPYLYIRJCWFMM-UHFFFAOYSA-N 403.522 6.348 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)NCc1cccc(CN2CCCCC2)c1 224703157 ZRXOSPOVPBUNHC-UHFFFAOYSA-N 405.369 5.228 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)NCCSCc1ccc(Cl)cc1 225346282 WQVCAVGZLQCPCZ-UHFFFAOYSA-N 402.774 5.629 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c2ccccc12 225763296 DKUJLSTXFVHXDY-UHFFFAOYSA-N 405.513 6.608 0 40 HKAB CCOc1ccc(C2=NN3[C@H](c4ccncc4)Oc4c(OCC)cccc4[C@H]3C2)cc1 248380010 OQSFXQXBUVFXKX-RDGATRHJSA-N 415.493 5.121 0 40 HKAB CCCc1ccc(OCc2nc(CCC)c(-c3ccccc3F)cc2C(=O)O)cc1 257246021 ISBSAWRRNWWICR-UHFFFAOYSA-N 407.485 6.070 0 40 HKAB CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)on1 257309760 UCHCWHIUAWZGPG-LJQANCHMSA-N 413.905 5.398 0 40 HKAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)C12CC3CC(CC(C3)C1)C2 408559642 ANCSOCJYGKEJMN-LVWGJNHUSA-N 415.002 5.842 0 40 HKAB Cc1cc(NC(=O)COc2cccc3ccccc23)ccc1NC(=O)c1ccco1 408622001 OUIYEPDWKWYIFR-UHFFFAOYSA-N 400.434 5.011 0 40 HKAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O 408646161 VQVWUESQXHHAJG-QGZVFWFLSA-N 420.896 5.432 0 40 HKAB CCCc1sc(NC(=O)c2cccc(C)c2)nc1-c1ccc(Cl)c(Cl)c1 408820958 AWCASQXYHQMTLX-UHFFFAOYSA-N 405.350 6.630 0 40 HKAB CCOc1cc(OCC)c(/C=C2\C(=O)N(CC)c3ccccc32)cc1Br 409118263 OQXCGSAKTPPHFI-WJDWOHSUSA-N 416.315 5.154 0 40 HKAB CNC(=O)c1cc(-c2ccccc2Cl)c2c(C)c(-c3ccncc3)c(C)cc2n1 1772820558 KUVKRNSXKFMYHY-UHFFFAOYSA-N 401.897 5.594 0 40 HKAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 2037845544 AMUUUQPRFQSRGS-OAQYLSRUSA-N 423.875 5.517 0 40 HKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N(C)C4CCCCC4)c3N2)cc1 674838 MYEXGHVYBQYSHA-OALUTQOASA-N 420.479 5.257 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(Cc1ccccc1)C(C)C 728438 IXCHMOHPZOLVJY-UHFFFAOYSA-N 403.309 6.008 0 40 HKAB O=C(Nc1ccccc1Cl)c1sccc1OCc1c(Cl)cccc1Cl 1397000 SRMFLPXXRVOWJE-UHFFFAOYSA-N 412.725 6.540 0 40 HKAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc(-c3ccccc3)c3c(c12)CCCC3 1755812 RHWSPALCHSGQOI-UHFFFAOYSA-N 418.949 6.309 0 40 HKAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1cccc(C(F)(F)F)c1 1772981 UUQRRIWHVXJNGV-UHFFFAOYSA-N 408.807 6.136 0 40 HKAB Cc1ccc(NP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)cc1C 1859320 PIFSQKZULNEYFY-UHFFFAOYSA-N 409.466 7.215 0 40 HKAB Cc1ccc(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)c3ccccc3n2)c(C)c1 2089852 LIPXXYCHJRGIDY-VWLOTQADSA-N 406.529 6.326 0 40 HKAB CCN1C=C(c2ccc3ccccc3n2)[C@@H](c2c[nH]c3ccccc23)c2ccccc21 3073680 KLKAYHZLTWSZEV-MUUNZHRXSA-N 401.513 6.729 0 40 HKAB O=C(NCCCc1ccccc1)c1cc(-c2cccc3ccccc23)nc2ccccc12 3235490 IWZSOWFSXNBCRX-UHFFFAOYSA-N 416.524 6.418 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3cccc4c3CCCC4)cc12 3254861 XFMUAHQKJJLORL-UHFFFAOYSA-N 421.953 6.180 0 40 HKAB COc1ccc(Nc2nnc(SCc3cnc(-c4ccccc4)s3)s2)cc1 3347766 MMZWMDKQTDUUAI-UHFFFAOYSA-N 412.565 5.706 0 40 HKAB CCn1cc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc21 3581932 FPONRKDTUUHGCA-UHFFFAOYSA-N 412.864 6.064 0 40 HKAB O=C1S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1c1ccccc1 3768594 VIYJPHNTCBDQEE-BOPFTXTBSA-N 416.285 6.494 0 40 HKAB CC1=C(CC[C@@H](C)CO)O[C@H]2C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 4081836 IQDKIMJGXXRZGR-NWHLQQSGSA-N 416.646 5.698 0 40 HKAB biogenic COC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc2c1CC(C)(C)NC2(C)C 4281217 ACWAXZNKWZUQDK-UHFFFAOYSA-N 422.550 5.100 0 40 HKAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4)cc2)N3)C1 4544841 QWDNZSQKWHXJBU-QRQCRPRQSA-N 404.535 5.306 0 40 HKAB Cc1ccc(NC2(c3nnnn3-c3ccc(Br)cc3)CCCCC2)cc1 4561988 ANRIESRCHMUVCV-UHFFFAOYSA-N 412.335 5.005 0 40 HKAB CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1OCC 4660187 CUEKYCIBMIWGAQ-YADARESESA-N 420.534 5.788 0 40 HKAB COc1ccc(C2=NN(C(=O)/C=C/c3ccccc3)[C@@H](c3ccc(F)cc3)C2)cc1 4860453 DMRIZUFQZAUORJ-XTXDOFFSSA-N 400.453 5.225 0 40 HKAB COc1ccc(-n2nc(-c3ccc(C)cc3)c3cnc4cc(F)c(F)cc4c32)cc1 4970187 INFLIRNEHBRARR-UHFFFAOYSA-N 401.416 5.836 0 40 HKAB CCOP(=O)(OCC)[C@@H]1c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21 4983058 JSXBCLWZOIKJMN-QGZVFWFLSA-N 405.645 6.983 0 40 HKAB Cc1ccc(OCc2nnc(SCc3ccccc3F)n2Cc2ccco2)cc1 5478510 NUCHQIDQDFNMGP-UHFFFAOYSA-N 409.486 5.238 0 40 HKAB Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=Nc3ccccc3S2)cc1 5683750 PJFCYZSYGQQBGD-JOCHJYFZSA-N 408.364 7.115 0 40 HKAB CCOC(=O)c1ccc(-c2ccc(COC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1 5797047 MWTNYCWWDNZPHW-UHFFFAOYSA-N 406.478 5.778 0 40 HKAB COc1ccc(C(=O)Sc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1OC 6182251 VKNQWJFBTSCEGT-UHFFFAOYSA-N 417.486 5.958 0 40 HKAB COc1ccc(S(=O)(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1C 6362199 TZOMTZWHTAQTNB-UHFFFAOYSA-N 411.567 5.344 0 40 HKAB O[C@]1(c2ccccc2)[C@@H](c2ccccc2)C[C@@H](c2ccccc2)[C@@]1(O)c1ccccc1 6618307 FTSXSXLOHBZBNZ-FXCIUYFGSA-N 406.525 5.733 0 40 HKAB Cc1c(CCC(=O)Nc2cccnc2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 6719386 ZSNMGOJGUVBNSC-UHFFFAOYSA-N 416.477 5.001 0 40 HKAB CCOC(=O)c1ccc(-n2c(C)cc(/C=C/C(=O)c3ccc(OC)cc3)c2C)cc1 7375739 QKWNENMEKXYKSX-XNTDXEJSSA-N 403.478 5.176 0 40 HKAB CC(=O)O[C@H]1CC[C@H]2[C@H]3CCC4=Cc5n[nH]c(C(F)(F)F)c5C[C@@]4(C)[C@@H]3CC[C@]12C 8615171 RMQCASHVRADDSY-UFAOCZHDSA-N 422.491 5.542 0 40 HKAB O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 8718786 CLVKDLNRVXKKOR-QFIPXVFZSA-N 413.521 5.160 0 40 HKAB CCO[P@](=O)(OC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCc1ccco1 8915417 HWJBLUXNTRRFFX-GDLZYMKVSA-N 418.430 5.346 0 40 HKAB COCCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc2ccccc21 9073683 FMUWCBWFBUQDRH-LBPRGKRZSA-N 424.353 5.109 0 40 HKAB Cc1ccc2cc(CN(C(=O)c3cccc(Cl)c3)C3CCCCC3)c(=O)[nH]c2c1 9431087 DNPPOTHYKQQDCR-UHFFFAOYSA-N 408.929 5.465 0 40 HKAB O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC[C@@H]1c1nc2ccccc2s1 9516637 MHUNSYYCOWSBLP-HXUWFJFHSA-N 420.509 5.992 0 40 HKAB CCOC(=O)c1c(NC(C)=O)sc2c(O)c(CSc3ccccc3)ccc12 9943167 PVNLFNSVZUKYQG-UHFFFAOYSA-N 401.509 5.034 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cc(C2CC2)nn1-c1ccccc1 10277127 WSSJNCRDIWAZGF-OAHLLOKOSA-N 402.523 5.193 0 40 HKAB Cc1nc(C2CC2)nc2sc(C(=O)NCc3cccc(C(F)(F)F)c3)c(C)c12 12881881 BPAHLGLLBBTGCT-UHFFFAOYSA-N 405.445 5.134 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1cc2ccccc2o1 12927772 XSUXTUYRAITXAU-UHFFFAOYSA-N 406.873 5.323 0 40 HKAB COc1ccc(Cl)cc1-c1nnc(SCc2c(Cl)cccc2Cl)n1C 13325881 RULMFJKYIRUAQC-UHFFFAOYSA-N 414.745 5.743 0 40 HKAB COc1ccc(NC(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1OC 13537853 ZLLKZQXJMSTOFY-UHFFFAOYSA-N 406.467 5.020 0 40 HKAB Cc1cccc(-n2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)c1 13961044 ICQGXSZCNFWECA-UHFFFAOYSA-N 400.953 7.402 0 40 HKAB Cc1ccccc1-n1ccnc1SCc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3 14094235 HHSPCIOECASRDD-CYBMUJFWSA-N 421.595 5.185 0 40 HKAB CC(C)(C)c1ccc(OC[C@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 15671399 VKHBRCDKKAMXSL-JOCHJYFZSA-N 414.549 5.365 0 40 HKAB Clc1ccc(COc2ccc(Cl)cc2CNC[C@@H]2CCCO2)c(Cl)c1 16384994 GLZUXFPVLGSRHS-KRWDZBQOSA-N 400.733 5.494 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc4ccccc4c3)c2C(N)=O)C1 17087472 WVNDJJDQAPUTNA-KRWDZBQOSA-N 406.551 5.404 0 40 HKAB Cc1ccc(C)c(OCc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)c1 17112364 WKFJBHBXZNLTFE-UHFFFAOYSA-N 423.325 5.685 0 40 HKAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1C(=O)N1CCCCC1 17366028 RNGFIJMHYJMEDK-UHFFFAOYSA-N 411.552 5.058 0 40 HKAB CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 17917672 NCHPCMNWGXASMM-UHFFFAOYSA-N 420.940 5.004 0 40 HKAB O=C([C@H]1CC12CCC2)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)n3ccsc23)C1 19294192 UHXYHTUKAMTTGT-CRAIPNDOSA-N 424.545 5.175 0 40 HKAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCc2sccc2[C@@H]1c1cccs1 19561021 ZIONVVGVJAQLOP-GOSISDBHSA-N 423.588 5.424 0 40 HKAB O=C(O)c1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)ccc1Cl 20139536 NKNOOHMZLPLFIT-UHFFFAOYSA-N 400.670 5.812 0 40 HKAB O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N1CCCc2ccccc21 20436251 ODDFFOUQZQXPSI-UHFFFAOYSA-N 401.550 5.513 0 40 HKAB COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccccc5Cl)c4ncn3n2)cc1 21801777 GRDDXHIVPIPMSQ-UHFFFAOYSA-N 403.873 5.014 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)c1cccc(OCc2ccccc2Cl)c1 22258111 XVJXQRHBNQJMCH-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB CSc1cccc(C(=O)N(CCn2cccn2)c2nc3c(C)cc(C)cc3s2)c1 23144837 KXLZZECZBABINE-UHFFFAOYSA-N 422.579 5.179 0 40 HKAB Cc1cc(OCC(=O)N(c2nc3ccccc3s2)c2cccc(Cl)c2C)no1 23299063 ABHGHOKIUXHEAP-UHFFFAOYSA-N 413.886 5.298 0 40 HKAB Cc1ccc(-c2csc(SC[C@H]3CSc4nnc(-c5ccncc5)n43)n2)cc1 26014550 FIZZGODUORJKKQ-MRXNPFEDSA-N 423.592 5.211 0 40 HKAB FC(F)(F)c1ccc(CN(Cn2nc(C3CC3)n(C3CC3)c2=S)C2CC2)cc1 26618656 RVXZXVFAKNSEAT-UHFFFAOYSA-N 408.493 5.267 0 40 HKAB CCCOc1cccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 28287967 LVAWAUHJHLNEBZ-UHFFFAOYSA-N 400.931 5.225 0 40 HKAB CC(C)c1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 33780513 DOSFQEQWILETSG-UHFFFAOYSA-N 415.562 5.939 0 40 HKAB C[C@H](NC(=O)OCc1ccccc1)[C@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 38253711 AWBAPOAGBOTVOQ-ZBEGNZNMSA-N 421.337 5.073 0 40 HKAB CCc1ccc(C(=O)C[C@@H](C(C)C)[C@@H](C=C(C)C)C(=O)c2ccc(CC)cc2)cc1 39379241 AVPTTZVZGLVZKB-IZZNHLLZSA-N 404.594 7.122 0 40 HKAB O=C(CSc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1)NC1CC1 40050676 DIYALADJTKBLGT-UHFFFAOYSA-N 417.534 5.053 0 40 HKAB Cc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2-c2ccccc2C)cc1 44086781 KMSBEOGRYOIWSO-UHFFFAOYSA-N 405.567 5.261 0 40 HKAB S=C(Nc1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccc2nccnc2c1 58268766 NOVJEQXQEWWNCK-HXUWFJFHSA-N 415.547 5.239 0 40 HKAB Cc1noc(C)c1[C@H](C)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 58426831 WNWGSYSGBSDRTD-RNODOKPDSA-N 413.315 5.063 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C 64328815 GEJAPXZYQVDSSI-UHFFFAOYSA-N 408.325 5.387 0 40 HKAB Cc1cc2c(=O)n([C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)c(C)nc2s1 71527555 QCZLUTZWFLCZRH-OAHLLOKOSA-N 419.506 5.067 0 40 HKAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 72214884 XOTYMNDGHAVWSK-QFIPXVFZSA-N 409.574 5.959 0 40 HKAB O=C(CSc1ccccn1)Nc1nnc(SCc2cccc3ccccc23)s1 96593763 PUQVIROHIBCPOV-UHFFFAOYSA-N 424.576 5.109 0 40 HKAB Clc1ccc(C2=C[C@@H](c3ccccc3)n3nc(-c4ccc(Cl)cc4)nc3N2)cc1 100870424 ZESCQMPRYCADAR-NRFANRHFSA-N 419.315 6.308 0 40 HKAB N=c1c2nc(-c3ccccc3)oc2n(Cc2ccccc2)c(=S)n1-c1ccccc1 102479498 XNWBJLIFCDUAPU-UHFFFAOYSA-N 410.502 5.344 0 40 HKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102636774 AIAACAPGUYHRFB-ORGXJRBJSA-N 418.968 6.418 0 40 HKAB COc1ccccc1[C@@H]1C2=C(O)CCCC2=Nc2nc(SCc3ccccc3)nn21 102677160 AHBBMZKRVSXJEB-OAQYLSRUSA-N 418.522 5.251 0 40 HKAB Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)o2)cc1Cl 222634085 QZAARLCWHHICMV-DLPLYFIVSA-N 409.942 5.893 0 40 HKAB Fc1ccc(C2(CNC(=S)Nc3ccc(Oc4ccccc4)nc3)CCCC2)cc1 223984704 BICUILRGAVITJC-UHFFFAOYSA-N 421.541 5.811 0 40 HKAB O=S(=O)(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Oc2ccccc2)cc1 224481264 NUGYBFQPXHHLJE-UHFFFAOYSA-N 415.470 6.179 0 40 HKAB CCOc1ccc(C(=O)N2CCCCC2)cc1COc1ccc(-c2ccccc2)cc1 224557667 RTQBURWLUOXJEG-UHFFFAOYSA-N 415.533 5.957 0 40 HKAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(OC2CCCC2)cc1 225626275 JIMODLZMXPXSQS-UHFFFAOYSA-N 412.599 5.716 0 40 HKAB CC(C)Oc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 408714667 UPUWTNXQOFPKRQ-UHFFFAOYSA-N 407.514 5.094 0 40 HKAB COC(=O)[C@H](C)c1ccc(C(=O)CC(C)(C)C)c(-c2ccc(C(F)(F)F)cc2)c1 575362715 UQUPPIRXOWDSRB-CQSZACIVSA-N 406.444 6.268 0 40 HKAB Cc1cc(C(=O)N(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)nc2ccccc12 585091713 CBZKAMYMSWBESM-UHFFFAOYSA-N 410.473 5.084 0 40 HKAB COCC(=O)N1CCCCCCCCN(Cc2ccccc2F)Cc2ccccc21 643558163 FLTGIMGOVCBICK-UHFFFAOYSA-N 412.549 5.162 0 40 HKAB CCCOc1cccc(-c2ccc3c(c2)CNCCCCCCCN3C(=O)COC)c1 643574919 ALQPIIXXCSJVEG-UHFFFAOYSA-N 424.585 5.176 0 40 HKAB O=C(c1cccc(Cl)n1)N1CCC2(CC1)CN(c1ccccc1)c1ccccc12 2055806649 JTFFTYWSCMCQNF-UHFFFAOYSA-N 403.913 5.061 0 40 HKAB CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(-c2cccc(N)c2)n1 602739 LDXAGTHPWDVZFU-UHFFFAOYSA-N 418.328 5.703 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)NC(=S)Nc1cccc2ccccc12 724436 UEMWBOYXHCXXNE-UHFFFAOYSA-N 405.306 5.039 0 40 HKAB CSc1nc(OCC(=O)c2ccc(Cl)cc2)c2c3c(sc2n1)CCCC3 985028 OLMXGESNGBBWSH-UHFFFAOYSA-N 404.944 5.207 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Cc2ccncc2)cc1 1264671 XHOMOQPPTFJEEK-QPJJXVBHSA-N 413.304 5.640 0 40 HKAB Cc1cccc(C(=O)N2CCc3cc(-c4nc(NC(C)(C)C)sc4C)ccc32)c1 1354322 QJAZVLGXJYRQKJ-UHFFFAOYSA-N 405.567 5.840 0 40 HKAB O=C(Nc1cc2ccccc2cc1NC(=O)c1ccccc1F)c1ccccc1F 1510029 ZGTQUVDLMDXTQW-UHFFFAOYSA-N 402.400 5.623 0 40 HKAB c1nc(Sc2ncnc3sc4c(c23)CCCC4)c2c3c(sc2n1)CCCC3 1783002 KYRFZUHBAIEIFC-UHFFFAOYSA-N 410.593 5.605 0 40 HKAB CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1Cl 2375423 IZRGJEIYJKZYEO-BCHFMIIMSA-N 416.285 5.327 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2N)cc1 2381728 RNNIANUNIBTCTL-UHFFFAOYSA-N 407.370 5.556 0 40 HKAB COc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)cc1 2443044 MXLNWTSMCJYCFW-UHFFFAOYSA-N 411.914 5.541 0 40 HKAB FC(F)(F)c1cccc(N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)c1 2577937 DHRGUUWPEPCUFL-UHFFFAOYSA-N 423.891 5.809 0 40 HKAB Fc1ccccc1Cn1cc2c(-c3ccccc3)nnc-2c2cc3c(cc21)OCCO3 2688266 RIQALQHPTNBNEE-UHFFFAOYSA-N 411.436 5.162 0 40 HKAB Cc1ccc(C)c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 3049183 UFWDIVPSVGNGPR-UHFFFAOYSA-N 423.390 6.465 0 40 HKAB C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)OCO2 3230477 HYYPBGJHSMMEAC-HNNXBMFYSA-N 413.926 5.404 0 40 HKAB Cc1cccc(Nc2nnc(SCC(=O)c3ccccc3Br)s2)c1 3277562 CQALDHHPWNTEGL-UHFFFAOYSA-N 420.357 5.328 0 40 HKAB COc1cc(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)ccc1OC(F)F 3292929 SBOVKXVBKUSTPT-UHFFFAOYSA-N 404.438 5.289 0 40 HKAB O=C(/C=C/c1ccccc1)Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2 3311390 XUVHJTWMOXCILI-CCEZHUSRSA-N 416.571 6.556 0 40 HKAB O=C1S/C(=C/c2cccc3ccccc23)C(=O)N1Cc1c(Cl)cccc1Cl 3769406 WQJOFTDKGOXWSL-YBFXNURJSA-N 414.313 6.383 0 40 HKAB CC(C)(C)c1ccc(Cn2c(/C=C/c3ccc(Cl)cc3)nc3ccccc32)cc1 4002578 IZIHJFWEDHMHPZ-SFQUDFHCSA-N 400.953 7.206 0 40 HKAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2Cl)CSC3)c1 4077322 IRIMNZZFFJVWLH-UHFFFAOYSA-N 404.322 5.487 0 40 HKAB CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCC(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 4081529 YDDVOKKQEBUWJE-HFNPJGNGSA-N 414.630 6.502 0 40 HKAB biogenic COc1ccc([C@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@H]2C3(Cl)Cl)cc1 4147689 PRQMJZPVAVTUSA-VSKRKVRLSA-N 415.291 6.058 0 40 HKAB CCCCN(C(=O)c1ccccc1F)c1nc(-c2cc(OC)ccc2OC)cs1 4188956 XIONJMYNOTURCN-UHFFFAOYSA-N 414.502 5.413 0 40 HKAB Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccco1)C(=S)NCc1ccccc1 5006136 AMYATLSSNGCZHJ-UHFFFAOYSA-N 421.541 5.328 0 40 HKAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(N(C)C)cc1 5520844 BCOVJSXEJSOGKO-UHFFFAOYSA-N 403.404 5.240 0 40 HKAB CC(=O)O[C@H]1CC[C@@H](OC(C)=O)C[C@H]1C[C@@]1(C)[C@@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12 5533788 IZEANLPYPIOHKC-GKZACEOPSA-N 404.591 5.839 0 40 HKAB CCOc1ccc2oc(C(=O)Nc3ccccc3CN(C)C3CCCCC3)c(C)c2c1 6052941 GJFPYEATLSMNMP-UHFFFAOYSA-N 420.553 6.157 0 40 HKAB Cc1ccc(CNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccc(C)cc3)n2)cc1 6076845 SUPUXJJEMHHGMX-UHFFFAOYSA-N 405.501 5.930 0 40 HKAB biogenic CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1C 6347842 AIZMGLXTVDKMNA-UHFFFAOYSA-N 406.511 5.083 0 40 HKAB CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2cccc(C)c2)CC1=O 6752556 LZVZXZCMFBCTCF-QFIPXVFZSA-N 409.533 5.476 0 40 HKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl 8496861 JCJRYAKOGLJODR-LJQANCHMSA-N 412.382 5.509 0 40 HKAB COc1ccc(-c2nc(C)c(-c3ccc(SCc4ccc(C)cc4)nn3)s2)cc1 8875806 UVDWOCVZRSHIMN-UHFFFAOYSA-N 419.575 6.185 0 40 HKAB Brc1ccc(NCc2nn3cc(-c4ccccc4)c4c3n2CCCC4)cc1 9404987 VUJQAADLKNBIOV-UHFFFAOYSA-N 421.342 5.514 0 40 HKAB Cc1oc2cc3oc(=O)c(CC(=O)Nc4cccc5ncccc45)c(C)c3cc2c1C 9481951 JGKGVEUYEGXTJL-UHFFFAOYSA-N 412.445 5.194 0 40 HKAB Fc1ccc(-c2nn(-c3cccc(F)c3)c3c2cnc2cc4c(cc23)OCCO4)cc1 9675968 SAAJMDMTJLFBLH-UHFFFAOYSA-N 415.399 5.290 0 40 HKAB CCn1c(CSc2nccc(C)n2)nc2cc(NC(=O)Nc3ccccc3)ccc21 12323972 HQVJNEKMKYGWTP-UHFFFAOYSA-N 418.526 5.091 0 40 HKAB COC(=O)N1CCCc2cc(NC(=O)CC34CC5C[C@](C)(C3)C[C@@](C)(C5)C4)ccc21 12402574 KXTKHVFTXXIWNP-FXOOJFCESA-N 410.558 5.531 0 40 HKAB COc1ccc(Cl)cc1-c1nn(CN2CCC[C@H]2c2ccccc2)c(=S)[nH]1 12929416 ZQTQODROHHAFFF-KRWDZBQOSA-N 400.935 5.064 0 40 HKAB CC(C)Cc1ccc([C@@H](C)NC(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1 13040114 ZBYDPZSTZWRDCU-QGZVFWFLSA-N 413.583 5.250 0 40 HKAB COc1ccccc1NC(=O)c1ccc(NC(=O)COc2ccccc2C(C)C)cc1 13042499 JMBQPTVZXHTASF-UHFFFAOYSA-N 418.493 5.088 0 40 HKAB CC(C)c1ccc(NC(=O)C[C@H](NC(N)=O)c2cccc(Oc3ccccc3)c2)cc1 13108375 VBURCLQHCZJIIP-QHCPKHFHSA-N 417.509 5.341 0 40 HKAB O=c1[nH]c(-c2ccc(OCc3ccccc3Cl)cc2)nc2sc3c(c12)CCCC3 13942519 KUHFEWIMQHYXHH-UHFFFAOYSA-N 422.937 5.763 0 40 HKAB Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc(-n3cccc3)c2)c2ccccc2)cc1 14637102 BFZLQKTXSCWOKM-XMMPIXPASA-N 410.473 5.323 0 40 HKAB O=C(c1cccc2ccccc12)N1CCC(C(=O)N2CC=C(c3ccccc3)CC2)CC1 16047144 PLVJSYPSZFOZEM-UHFFFAOYSA-N 424.544 5.008 0 40 HKAB COc1ccccc1CNCc1c(C)nn(Cc2c(Cl)cccc2Cl)c1C 17310978 FIOMTYDAGMZYKU-UHFFFAOYSA-N 404.341 5.153 0 40 HKAB CCCCOC1=CC2=CC[C@H]3[C@@H]4CC[C@@H](OC(=O)CC)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 17328042 PGQVFZVRQGJBEV-PDVSWFIFSA-N 400.603 6.582 0 40 HKAB CCC(=O)Nc1cccc(NC(=O)C2(c3ccc(Br)cc3)CCCC2)c1 20096477 NJYRHQXHGMHBRT-UHFFFAOYSA-N 415.331 5.248 0 40 HKAB Cc1ccccc1[C@@H](NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 20450130 CAUXBQZWHLLPJJ-NLFFAJNJSA-N 401.550 5.966 0 40 HKAB CCOC(=O)C1=C(c2ccc(F)cc2)Nc2nc3ccccc3n2[C@H]1c1ccccc1 21005727 QVDVNSJPCMIFAF-QHCPKHFHSA-N 413.452 5.165 0 40 HKAB CC(C)c1ccc(Nc2ncccc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 22072585 CNOYCLOQUHMDRC-UHFFFAOYSA-N 400.309 6.508 0 40 HKAB O=C(c1ccc(Br)cc1)N(Cc1ccccc1Cl)c1ccccn1 28290854 DXZAIXBRUHFOLZ-UHFFFAOYSA-N 401.691 5.345 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 32126743 FQFXRWIDUHKPBQ-XNTDXEJSSA-N 424.887 6.953 0 40 HKAB CCc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1 35040606 SAQOQDOERLTGOW-LFIBNONCSA-N 404.354 5.417 0 40 HKAB Cc1c(C(=O)Nc2ccccc2OCc2ccccn2)n(C)c2ccc(Cl)cc12 35322765 ASLPXBCNIVNSMG-UHFFFAOYSA-N 405.885 5.366 0 40 HKAB CC[C@H](NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C)c1ccc(C(C)(C)C)cc1 36616162 WMUQKBXVGVCVSU-FQEVSTJZSA-N 404.558 5.333 0 40 HKAB CC1=C[C@@H](C)[C@]2(COC(=O)Nc3ccccc3)CO[C@@H](CCc3ccccc3)[C@H]1[C@H]2C 38549646 XELGSXZQIKSUPR-JUEVKQKQSA-N 419.565 6.101 0 40 HKAB biogenic Cc1oc(-c2cccs2)nc1C(=O)O[C@@H](C)c1nc2ccccc2n1C(F)F 46540668 NQTCMPKWUCUPPK-NSHDSACASA-N 403.410 5.374 0 40 HKAB O=C(NC1CCC(O)CC1)c1oc2ccccc2c1CSc1ccc(Cl)cc1 49909031 CLMLDACBGVTEBY-UHFFFAOYSA-N 415.942 5.412 0 40 HKAB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)Cc1ccc(Br)cc1 59312928 MLHDOVIINSUILH-UHFFFAOYSA-N 421.294 5.747 0 40 HKAB Cc1nc(CC(=O)N2CCC[C@@H](c3cccc(-c4cccc(Cl)c4)n3)C2)cs1 72350055 PRDDNPPMUWMJPL-QGZVFWFLSA-N 411.958 5.116 0 40 HKAB O=C(CCc1cccc(Cl)c1)N1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1 72353408 UNKIOKDDSKHEBW-LJQANCHMSA-N 420.944 5.212 0 40 HKAB Cc1cccc(Nc2cccc([C@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2)n1 72375626 KWNYPAOJLOIENT-OAQYLSRUSA-N 420.944 5.478 0 40 HKAB C/C(=C\c1ccccc1)CN1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 72398591 LBQAWOAUZJZLPY-XMGXTHMBSA-N 405.586 5.101 0 40 HKAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)c(Br)c1)CCC2 96766298 ISTZJUSHIZLELT-RAXLEYEMSA-N 410.267 5.278 0 40 HKAB O=C(c1cccc(Cl)c1)N1N=C(c2nc3ccccc3[nH]2)C[C@H]1c1ccccc1 97165837 CGAMCWHXCVCYHC-NRFANRHFSA-N 400.869 5.208 0 40 HKAB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@@H](c4cccnc4)C3=C(O)C2)cc1OC 102731093 ACSPVRQCANXBBW-KSFYIVLOSA-N 417.465 5.003 0 40 HKAB COc1ccc(NC2=C[C@@H](c3ccccc3Cl)N(c3ccc(OC)cc3)C2=O)cc1 103753783 QTMWJVVLJKKNFW-QHCPKHFHSA-N 420.896 5.441 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 107712207 XOMSPVJGIWPYOV-UHFFFAOYSA-N 419.864 5.764 0 40 HKAB C[C@H](CCC(=O)C[S@@](C)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118925132 CIYRXHNULHWANP-UASANFCASA-N 420.703 6.399 0 40 HKAB COc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 216430481 ROULXYYMNXIESW-MRXNPFEDSA-N 411.954 6.132 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2C(C)C)cc1 223437249 WHEREYHCJYHORK-JCMHNJIXSA-N 404.535 5.590 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1cccc2ccccc12 224300529 ZVHZZJMVFWCQED-UHFFFAOYSA-N 411.501 6.297 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1cc(C)cc(C)c1C 224608924 MHRWCBFQWDESQE-UHFFFAOYSA-N 407.485 5.981 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1OCC 225338967 LUWZSNIUQIJZOD-CQSZACIVSA-N 410.341 5.601 0 40 HKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc(C)c1OCC(C)C 225581180 KQJMPSOSCJRVTH-UHFFFAOYSA-N 415.961 5.679 0 40 HKAB COc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c2cccnc12 225680593 ZRBXHGNIJZLSPJ-GOSISDBHSA-N 407.539 5.141 0 40 HKAB Cc1nc2ccccn2c1-c1nnc2sc([C@@H](C)c3ccc(CC(C)C)cc3)nn12 227143341 OIWUTTJWOTXZDX-HNNXBMFYSA-N 416.554 5.159 0 40 HKAB COc1cccc(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)c1 257200044 ABUHBNOECMHDTO-JOCHJYFZSA-N 424.928 5.224 0 40 HKAB CCN(CC)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 408571777 FVRXUYPXHIVXJC-BMRADRMJSA-N 419.550 5.319 0 40 HKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(F)cccc2F)cc1 408675645 KDSFSGLJIUASKC-UHFFFAOYSA-N 420.415 5.105 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccccc2)cc1 408699261 SMFRSZDIAVYNJR-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 408906531 GRWCHDSGZIMZKW-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 409033542 FMYQEZGEYINTJZ-QNGOZBTKSA-N 418.493 5.009 0 40 HKAB CSc1ccccc1C(=O)Nc1nc(-c2cccs2)c(-c2ccccc2)s1 409052163 GIVNQDMQQAMQLV-UHFFFAOYSA-N 408.573 6.513 0 40 HKAB CCOc1ccc(NCc2ccc(OCc3ccccc3)c(Br)c2)cc1 409114072 BRTSCGCRCZRLNN-UHFFFAOYSA-N 412.327 6.039 0 40 HKAB Cc1ccc(OCCSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1 409120501 WBZBQAIQQIIEEW-UHFFFAOYSA-N 401.535 5.338 0 40 HKAB CN(C)c1ccc(-n2cccc2/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409194652 QBQNFLRUCMCRJA-XSFVSMFZSA-N 423.925 5.438 0 40 HKAB Cc1ccc(OC(C)C)c(-c2ccc(C(=O)O)c(COc3ccc(Cl)cc3)n2)c1 585265164 HWCDAHTXZZELRK-UHFFFAOYSA-N 411.885 5.775 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cnn(-c2ccccc2)c1-c1ccccc1 632999 IHKPEQJZSAQMJS-UHFFFAOYSA-N 407.395 5.810 0 40 HKAB O=C(Nc1ccc(F)c(F)c1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 680030 DURMXSQKXFMSDT-UHFFFAOYSA-N 404.372 5.161 0 40 HKAB COc1ccc(C(=O)C[C@H](Sc2ccccc2N)c2ccc(OC)c(OC)c2)cc1 947100 NOXANQCYEKBZRH-DEOSSOPVSA-N 423.534 5.401 0 40 HKAB O=C(N[C@H](Nc1ccc(Cl)cc1Cl)C(=O)c1ccccc1)c1cccs1 1013826 RFAQRCRNHXCLAI-SFHVURJKSA-N 405.306 5.106 0 40 HKAB O=S(=O)(Cc1cc(Sc2ccccc2)nc(-c2ccccc2)n1)c1ccccc1 1383059 RXERMXCCZZQERE-UHFFFAOYSA-N 418.543 5.269 0 40 HKAB aggregator CCOc1ccc(-c2csc(CCNC(=O)Nc3ccc(Cl)cc3)n2)cc1 1415061 RPXSWQKPIQTIMO-UHFFFAOYSA-N 401.919 5.226 0 40 HKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 2069071 SJQUEMVDIWFXQR-BOPFTXTBSA-N 417.770 5.963 0 40 HKAB CC1(C)Cc2nc3oc4c(SCc5ccc(Cl)cc5)ncnc4c3cc2CO1 2241181 QNKUYGARIDILKY-UHFFFAOYSA-N 411.914 5.568 0 40 HKAB CC(C)Sc1nc2c(c(=O)n1-c1ccccc1)C1(CCCC1)Cc1ccccc1-2 2270567 DXBTVTHOVPQDGV-UHFFFAOYSA-N 402.563 5.768 0 40 HKAB CC[C@@H](C)Nc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 2655720 OYXUHZYVXQIKLL-GFCCVEGCSA-N 404.004 6.336 0 40 HKAB O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccccc1Br 2773116 BMXDUSFHELTZAQ-UHFFFAOYSA-N 413.749 5.443 0 40 HKAB Cc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCC6)o2)c(C)c1 2790877 NMAIXSIJSUBVNI-UHFFFAOYSA-N 416.506 5.284 0 40 HKAB C[C@]1(c2ccc3noc(-c4ccc(Cl)cc4)c3c2)NC(=O)N(c2ccccc2)N1 3047148 GCTGUQDYSFBOQG-QFIPXVFZSA-N 404.857 5.055 0 40 HKAB Cc1ccc(SCc2c(CSc3ccc(Cl)cc3)nn(C)c2Cl)cc1 3105799 ZXIAUHRDLOGZMP-UHFFFAOYSA-N 409.407 6.620 0 40 HKAB Cc1cc2nc(-c3cccnc3Cl)n(Cc3ccc(C(C)(C)C)cc3)c2cc1C 3133413 SQAKTEOIEMLOEB-UHFFFAOYSA-N 403.957 6.714 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(Nc2ccc(F)cc2F)sc1Cl 3192883 TXUSTJIPEGTSLS-UHFFFAOYSA-N 421.277 5.305 0 40 HKAB FC(F)(F)c1ccc2c(c1)[n+](Cc1ccc(Cl)cc1Cl)c1n2CCCCC1 3270649 LBRWRCKWIXIBEH-UHFFFAOYSA-N 414.278 6.029 0 40 HKAB CC(C)(C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 3361935 VPMDFBZACKDXON-UHFFFAOYSA-N 422.598 5.239 0 40 HKAB Cc1ccccc1CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1 3364634 MFYIJDFXXGYDQU-UHFFFAOYSA-N 424.472 5.588 0 40 HKAB CCc1cccc(NC(=O)Cc2nc(-c3ccccc3)sc2-c2ccc(C)cc2)c1 3437607 IVWIVOGPNMDBKN-UHFFFAOYSA-N 412.558 6.529 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCC(=O)O)[C@@]4(C)CC[C@H]32)C1 4073860 JBALICPRCDQXRA-NZQNCUKZSA-N 416.602 5.998 0 40 HKAB biogenic O=C1O[C@]2(C[C@H](c3ccccc3)[C@H]3CCCC[C@]34Nc3ccccc3N24)c2ccccc21 4333666 JQKXIOGQANFJIF-TUJIQRHUSA-N 422.528 6.016 0 40 HKAB biogenic CC1(C)C[C@]2(CCO1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 4956822 NXBFSSGECZATPP-UGKGYDQZSA-N 417.336 5.822 0 40 HKAB CCc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc3ncsc3c2)cc1 6543468 MYNRRAHPCPUAEK-UHFFFAOYSA-N 401.491 5.363 0 40 HKAB Cc1ccc(N[C@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)cc1C 6794515 CZXULRHNEGNVPX-OAQYLSRUSA-N 407.876 6.347 0 40 HKAB CC1CCN(C(=O)Cn2cc(SCc3ccc(Cl)cc3)c3ccccc32)CC1 6867502 SBRNAFZEGIAKEC-UHFFFAOYSA-N 412.986 5.846 0 40 HKAB CCCN1C(=O)S/C(=C/c2ccccc2OCc2cccc3ccccc23)C1=O 6879199 IWPUELAEWPDJIY-PXLXIMEGSA-N 403.503 5.865 0 40 HKAB Cc1cnc(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)s1 6969196 ZKIFLPINZRMUBH-UHFFFAOYSA-N 402.932 5.125 0 40 HKAB Clc1cccc(-n2cnnc2SCc2cc(Cl)c3c(c2)OCCCO3)c1 6980012 LDQMCVZVCYHVNI-UHFFFAOYSA-N 408.310 5.028 0 40 HKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1csc(-c2ccccc2)n1 8152541 OJOCWLQXEODZIM-UHFFFAOYSA-N 406.338 5.187 0 40 HKAB COc1cc(CNC2CCCCCC2)cc(Br)c1OCc1ccccc1 8470298 NKXUTBONWWLSEF-UHFFFAOYSA-N 418.375 5.849 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(=O)c3ccccc3o2)cc1 8612275 KWWZBEARQWPEID-UHFFFAOYSA-N 423.424 5.331 0 40 HKAB Oc1cc(OCc2ccc(Cl)c(Cl)c2)ccc1-c1n[nH]cc1-c1ccccc1 8740795 XPVYJWBTRYRYIA-UHFFFAOYSA-N 411.288 6.335 0 40 HKAB CCCCOC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(Cl)cc3)sc2c1 8903226 XMVWQMKMWGYXFP-IZZDOVSWSA-N 414.914 5.559 0 40 HKAB CC(C)Cc1ccc([C@H](C)c2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)cc1 8993487 ZIMGOWVHZKRCBD-INIZCTEOSA-N 405.571 5.269 0 40 HKAB COc1ccc2nc(SCc3csc(N(C(C)=O)c4cccc(C)c4)n3)[nH]c2c1 9198703 AKGSZYDVKQRSMM-UHFFFAOYSA-N 424.551 5.313 0 40 HKAB O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1cc(Cl)ccc1Cl 9366838 AINKCKNTGARGSL-UHFFFAOYSA-N 414.314 5.529 0 40 HKAB CSc1ccc2c(c1)N(C(=O)COC(=O)c1ccc(C)o1)c1ccccc1S2 9478547 UEYRMCHQNGWYMR-UHFFFAOYSA-N 411.504 5.296 0 40 HKAB CCc1cccc(C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 10314520 XFMNFYYNMZSDSY-UHFFFAOYSA-N 422.550 5.227 0 40 HKAB CCOc1ccc(CC(=O)Nc2nc(-c3cc4cccc(OCC)c4o3)cs2)cc1 10750989 SZGABFMBSKPYGI-UHFFFAOYSA-N 422.506 5.535 0 40 HKAB C[C@@H](NC(=O)CCCc1nc2ccccc2s1)c1ccccc1Br 12776768 MSANOQAMSFUBHX-CYBMUJFWSA-N 403.345 5.259 0 40 HKAB CCN(Cc1ccc(Cl)s1)C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 12812288 NZOFLSUODMJXPB-UHFFFAOYSA-N 422.959 5.205 0 40 HKAB Cc1cc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)c(C)n1C[C@H]1CCCO1 13041444 SZQRRVZIKIFJAI-QGZVFWFLSA-N 415.946 5.313 0 40 HKAB Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 14152918 XNXFNSGRKJSWBH-UHFFFAOYSA-N 417.456 5.510 0 40 HKAB O=C1Nc2ccc(Br)cc2/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 15016066 QAQILXLCGPNHGS-YBEGLDIGSA-N 400.659 5.855 0 40 HKAB O=C1C[C@@H](c2ccccc2C(F)(F)F)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15107126 NQXCFQNWICODHT-ZDUSSCGKSA-N 417.408 5.606 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)c1 17089923 WBNZISLIZZLXFP-UHFFFAOYSA-N 414.505 5.622 0 40 HKAB Cc1ccccc1Nc1nc(NCCC2=CCCCC2)nc2c1cnn2-c1ccccc1 17136023 JKKKPAKQCBCZHN-UHFFFAOYSA-N 424.552 6.170 0 40 HKAB Cc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2cc(C(F)(F)F)ccc23)cc1 20183482 UVPRKRKNTDSVKZ-UHFFFAOYSA-N 421.397 6.707 0 40 HKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)cc1 20411171 GZAHTAIHFQSULC-UHFFFAOYSA-N 412.533 7.168 0 40 HKAB Cc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2)cc1Cl 28527888 LJCUPCWNCWBMAC-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 30869351 YIASZIYDILTZJP-IBGZPJMESA-N 409.382 5.213 0 40 HKAB Cc1ncc(NC(=O)c2ccccc2Cl)n1-c1nc(-c2ccc(F)cc2)cs1 32615879 FUWPHRLOGANWNK-UHFFFAOYSA-N 412.877 5.349 0 40 HKAB O=C(/C=C\c1cccs1)n1c(SC/C=C/c2ccccc2)nc2ccccc21 33524708 DUVYEMAHJHFDCG-RNLJQKQWSA-N 402.544 6.257 0 40 HKAB O=C(O)c1ccccc1C1c2cc(Cl)c(O)cc2Oc2cc(O)c(Cl)cc21 34328166 XDFNWJDGWJVGGN-UHFFFAOYSA-N 403.217 5.389 0 40 HKAB Cc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(NC(=O)c3ccco3)s2)cc1 35671427 BJDFFLJGEPWJBU-UHFFFAOYSA-N 417.490 5.525 0 40 HKAB Cc1cccc(NC(=O)c2ccccc2SC[C@H]2CCCN3CCCC[C@H]23)c1C 36056948 USTZOLMUDCRMRV-NFBKMPQASA-N 408.611 5.912 0 40 HKAB COc1cccc(-c2nn(Cc3cc(C)ccc3C)c(-c3cccc(OC)c3)c2C)c1 36611249 RTSKGJGMZDITFZ-UHFFFAOYSA-N 412.533 6.208 0 40 HKAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1ccccc1Cn1cccn1 40067867 ZNWAVPYPSCCIMK-OAHLLOKOSA-N 417.340 5.141 0 40 HKAB CC(C)(C)c1ccc(C2=NC3(CCCCC3)N(C(=O)c3ccc(F)cc3)C2=S)cc1 45932929 DURRYNAGJFZTLE-UHFFFAOYSA-N 422.569 6.056 0 40 HKAB O=C(CN[C@H](c1ccccc1)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1F 58128503 KKTYIEGQBSKNEI-OAQYLSRUSA-N 404.819 5.075 0 40 HKAB COc1cc([C@H]2CC(c3cccs3)=NN2C(C)=O)ccc1OCc1ccccc1 96136994 YDBGKQAJTOSWRX-HXUWFJFHSA-N 406.507 5.033 0 40 HKAB C[C@H]1ON=C(c2ccccc2Cl)[C@@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 100281565 ZQLQAXAFJNVCKH-LRTDBIEQSA-N 404.853 5.617 0 40 HKAB Cc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)Nc2nc3ccccc3n21 101229547 XRNWJIKSICSIKP-RBBKRZOGSA-N 408.332 6.798 0 40 HKAB CC[C@H](C)c1ccc([C@@H](CC)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 102630048 ZSUHTMILDZBVAM-LZFQIVBZSA-N 401.978 6.505 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118932457 XANNAGNXGOOWOX-FLSRVGERSA-N 415.750 8.038 0 40 HKAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)c(Cl)c2)S1 222599353 RCLDOPKBIPWPQT-MRFFXTKBSA-N 412.921 5.254 0 40 HKAB O=C(COc1ccc2ccccc2c1)NCCSCc1c(F)cccc1Cl 222832791 RGACOEFBKFBKOW-UHFFFAOYSA-N 403.906 5.061 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1C(C)C 223261248 MDFQIMMQEXQYTM-HXUWFJFHSA-N 401.550 6.136 0 40 HKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1 223825511 JUUMEORCEZGELE-FGZHOGPDSA-N 406.555 5.040 0 40 HKAB CC1CCN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCCC3)cn2)CC1 223993100 QNNDAYXIQHNDRH-UHFFFAOYSA-N 422.642 5.506 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C)cc3)c2)cc1 224125207 IHXGEGUXHJAVAA-UHFFFAOYSA-N 419.477 5.012 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C)cc2)c1 224538493 FVUDHWKMCBKFNP-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccccc1C(C)C 224563276 QYDFBMRGJMZAOL-HXUWFJFHSA-N 417.549 6.279 0 40 HKAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 224738034 OPPMZMXWHCROEJ-NRFANRHFSA-N 416.565 5.024 0 40 HKAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1Cl 225533053 CDSSQSBAIPCFIZ-INIZCTEOSA-N 417.933 5.213 0 40 HKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 225846225 BISYTHNOXMZNNV-QHCPKHFHSA-N 407.551 5.212 0 40 HKAB FC(F)(F)c1cccc(C2(NC(=S)Nc3ccc4c(c3)OCO4)CCCC2)c1 225851961 ACHOFLZJVYSZLL-UHFFFAOYSA-N 408.445 5.190 0 40 HKAB CCCCc1ccc(NC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn23)cc1 408678637 UDUGXJAEEASWCV-UHFFFAOYSA-N 410.517 6.079 0 40 HKAB O=C(Nc1ccccc1F)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 408699918 XDYBTLLLIKKZMA-UHFFFAOYSA-N 410.811 5.118 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(OC)c1OC 409407753 HFCZCXAOXZMPEP-WEVVVXLNSA-N 415.795 5.037 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)NCc4cccc(Cl)c4)sc3n2)c1 661200 ZHWDSJYTQRGRGC-UHFFFAOYSA-N 423.925 5.138 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(OCC(C)C)cc2)sc2c1CCCC2 677327 ALSPRBBSOOGTGR-UHFFFAOYSA-N 401.528 5.091 0 40 HKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccccc1F 901230 XPVHZXAOCCSJQL-LBPRGKRZSA-N 421.419 5.421 0 40 HKAB COc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1 1362702 RWXNESZONDYXHK-IBGZPJMESA-N 419.525 5.063 0 40 HKAB CCOc1ccc2nc(Cl)c(CN(C(=O)c3cnccn3)C3CCCCC3)cc2c1 1367854 GOYMNKDLBMMBQT-UHFFFAOYSA-N 424.932 5.052 0 40 HKAB CC(C)c1nc(SCC(=O)Nc2nccs2)c2c3c(sc2n1)C[C@@H](C)CC3 1375689 PPKUGEAFAXMLKV-NSHDSACASA-N 418.613 5.127 0 40 HKAB Cc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3ccc(Cl)cc3Cl)c1-2 2053555 QGSMKZYBRGVLTR-PYCFMQQDSA-N 407.391 6.985 0 40 HKAB CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1Cl 2177496 NWLIYNWTXQKZHU-AATYUJHQSA-N 401.937 6.458 0 40 HKAB O=C(O[C@@H](Sc1nc2ccccc2s1)c1ccccc1Cl)c1ccccc1 2351956 WHDBIPZPYWIXBU-FQEVSTJZSA-N 411.935 6.598 0 40 HKAB COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2)cc1 2930869 HZIPOTHIRYOTIH-UHFFFAOYSA-N 419.868 5.247 0 40 HKAB O=C(Cc1ccc(Cl)c(Cl)c1)NCCSc1ccc(Br)cc1 3105116 NGXYAWNKSIEOBZ-UHFFFAOYSA-N 419.171 5.207 0 40 HKAB COc1ccc(SCC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 3128361 XZAVTQADTKWWIG-UHFFFAOYSA-N 405.346 6.030 0 40 HKAB CCC(NC(=O)N(Cc1ccccc1)Cc1ccccc1)(C(F)(F)F)C(F)(F)F 3189031 NJVMUEBSPQUSBO-UHFFFAOYSA-N 418.381 5.672 0 40 HKAB biogenic O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1c2c(nc3ccccc13)CCC2 3392501 ZVSUMZIDECTXHR-AREMUKBSSA-N 407.469 5.505 0 40 HKAB CC(C)(C)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 3633465 YRTTZURMEJIMTM-QHCPKHFHSA-N 406.551 5.299 0 40 HKAB Cc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(-c3ccc(F)cc3)cs2)cc1 3765702 UPPBVAHYJFWKEZ-UHFFFAOYSA-N 403.404 6.129 0 40 HKAB Cc1cccc(Sc2c(C(=O)Nc3ccc(Cl)cc3)c3ccccc3n2C)c1 4052742 ASMOJBSFWGAKSW-UHFFFAOYSA-N 406.938 6.544 0 40 HKAB CCN(CC)CCC[C@@H](C)Nc1nc(/C=C/c2ccccc2)nc2cc(Cl)ccc12 4071060 JOQGBAQMZAEQDR-NRMGUKERSA-N 423.004 6.376 0 40 HKAB Fc1ccc(Cn2c(SCc3ccc(F)c(F)c3)nnc2C(F)(F)F)cc1 4107086 PQOUZWOKJVLDLB-UHFFFAOYSA-N 403.351 5.055 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 4194665 ADHBDDQOJPPWQF-UHFFFAOYSA-N 402.519 6.395 0 40 HKAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1Cc1ccc(F)cc1 4380104 JTDNFYAOHPSUBJ-ZGFBMJKBSA-N 411.476 5.064 0 40 HKAB Cc1ccc2c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N2C(=O)c1ccc2c(c1)OCO2 4603993 KLPBMWNKFVUSRG-HHHXNRCGSA-N 413.517 5.859 0 40 HKAB Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(OCC(C)C)cc4)c3)oc2c1 4906734 BFYMGBAXSZUKOA-UHFFFAOYSA-N 400.478 6.090 0 40 HKAB CCOc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCO4)=NN21 5177554 ICYIZDDLCQIKNC-CPJSRVTESA-N 414.461 5.056 0 40 HKAB COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)/C=C/c3ccccc3)nc12 5265383 HIINLEMYNLTYNY-WYMLVPIESA-N 415.518 5.255 0 40 HKAB COCCSc1nnc2c3c4c(sc3nc(SC(C)C)n12)CCC[C@H]4C 5555895 JPNADWMGIHVJNM-LLVKDONJSA-N 408.618 5.018 0 40 HKAB CCc1cccc(C)c1NP1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 5667759 OOPRZNIACIFNCT-UHFFFAOYSA-N 417.514 7.991 0 40 HKAB Cc1nc(Cc2nnc(SCC(=O)c3ccc(-c4ccccc4)cc3)o2)cs1 5834842 JLDMRQMKJBRMLX-UHFFFAOYSA-N 407.520 5.067 0 40 HKAB CC(C)(C)c1ccc(OCCn2cc(C=O)c3cc(Br)ccc32)cc1 5944460 WXPPVHASVHVYEI-UHFFFAOYSA-N 400.316 5.593 0 40 HKAB CCOc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2)cc1OCc1ccccc1 6350817 RYYAYYRQDPJOQE-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB Cc1ccc(Cl)c(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)c1Cl 6376364 PUHNCOXFQMCLLI-UHFFFAOYSA-N 419.308 5.288 0 40 HKAB COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\Sc2ccccc2C1=O 6441611 CBCZTQXZFLBWRO-MSXFZWOLSA-N 402.559 6.493 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccccc4C)c3)nc2c1 6449736 DOZWLOMIFWQBHZ-KRWDZBQOSA-N 414.505 6.334 0 40 HKAB CCc1cccc(CC)c1NC(=O)COc1ccc(NC(=O)c2cccc(C)c2)cc1 6510396 NCZRWQOJUFAXHP-UHFFFAOYSA-N 416.521 5.390 0 40 HKAB CCCN[C@@H](C(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC)c1ccccc1 6586475 RLHVILUKSXDMCH-OAQYLSRUSA-N 422.550 5.271 0 40 HKAB C[C@@H]1CCc2sc(-c3nnc(SCc4coc(-c5cccs5)n4)o3)cc2C1 7129531 VGCOJSRAIZWYDI-LLVKDONJSA-N 415.565 5.932 0 40 HKAB CN(Cc1ccccc1NCC(=O)Nc1ccc(F)c(Cl)c1)C1CCCCC1 7984684 QVQFGCKLZIEKPG-UHFFFAOYSA-N 403.929 5.294 0 40 HKAB Cc1ccc(-c2nnc(N3CCN(c4cccc(C)c4C)CC3)c3ccccc23)cc1C 8024899 ITLOBHXGARCBDW-UHFFFAOYSA-N 422.576 5.857 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(C)cc4Cl)cc3)nc2c1 8196678 ASRMJDNSJSQNTJ-MRXNPFEDSA-N 418.924 7.222 0 40 HKAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O 8475494 LCQWXTZSQHRUCW-HNNXBMFYSA-N 418.880 5.539 0 40 HKAB CCOc1ccc(NC(=O)c2nc(SCc3ccccc3F)ncc2Cl)cc1 8916247 ZCBRFGUDUADILI-UHFFFAOYSA-N 417.893 5.212 0 40 HKAB Clc1ccc2nc(CSc3nnc(-c4ccco4)n3Cc3ccccc3)cn2c1 9711732 MDPIDQFLEOSYIX-UHFFFAOYSA-N 421.913 5.180 0 40 HKAB COc1cc2c(cc1NC(=O)CN1CCC[C@H]1c1ccccc1)oc1ccccc12 10339718 LHMAWPPRISNHPQ-NRFANRHFSA-N 400.478 5.370 0 40 HKAB Fc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)cc1F 12196302 CBIKFGOZVOXVKJ-PXNSSMCTSA-N 402.853 5.922 0 40 HKAB COc1ccccc1NC(=O)c1sc2nc(Cc3ccccc3)nc(C)c2c1C 12323418 BAZUUWSMXDWFRA-UHFFFAOYSA-N 403.507 5.160 0 40 HKAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl)O[C@@H](C)C2 12562876 IOBVZOROVSCBLF-NWDGAFQWSA-N 409.313 5.155 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)NCCSCc1cccc(Cl)c1 13716976 NVJVCSFDLGDAQQ-UHFFFAOYSA-N 409.982 5.912 0 40 HKAB COc1cccc(-c2nn(Cc3ccccc3C)c(-c3cccc(OC)c3)c2Cl)c1 13960494 FGVGFEGCXMQBTQ-UHFFFAOYSA-N 418.924 6.244 0 40 HKAB Cc1ccc(C(=O)C[C@@H](Sc2cccc(Cl)c2Cl)c2ccccc2)cc1 16291844 NVALJMKXIKSDFO-OAQYLSRUSA-N 401.358 7.408 0 40 HKAB CC[C@H](C)c1ccccc1OCc1nnc(NC(=O)Nc2ccc(F)cc2)s1 17056882 OFVZEXQRSPTKJQ-ZDUSSCGKSA-N 400.479 5.414 0 40 HKAB CCCCCCNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 17082527 BYYTYHNTAJUMFX-UHFFFAOYSA-N 402.542 5.485 0 40 HKAB O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cccc2c(Cl)cccc12 17090874 RJCJZQRWCKZADU-UHFFFAOYSA-N 416.839 6.693 0 40 HKAB CCCN(CCC)C(=S)NC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 17948945 XDUKCCJVAWNQJR-KVEMZPMDSA-N 412.643 5.356 0 40 HKAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc(-c2ccccc2)nc2ccccc12 17973186 QWTQZAYXLWEBPX-UHFFFAOYSA-N 423.516 5.229 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccccc2Cl)sc2c1CCCC2 20460840 ZSDSUISSQMKGAD-OAHLLOKOSA-N 421.946 5.253 0 40 HKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1Nc1ccccc1Cl 22072897 PFQGSEHXALMQFI-UHFFFAOYSA-N 407.779 5.630 0 40 HKAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2ccccc2Cl)c1 29059447 VPRCFDSPJCXHSQ-KRWDZBQOSA-N 406.913 5.702 0 40 HKAB COc1ccc(SCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 30757294 PIUOWBZPPFBCND-UHFFFAOYSA-N 416.395 5.144 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)n2)cc1 32623236 QCFVUXFAUGMACN-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4cccc(C)c4)o3)n2)cc1 35078264 OUSFJQZYFKMCRZ-UHFFFAOYSA-N 422.535 5.208 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 39724131 SUOCOLISQVGSJX-INIZCTEOSA-N 419.959 5.377 0 40 HKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 44901295 XGVGLWYCMICMSL-XMMPIXPASA-N 405.563 6.392 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 44902659 LNUQUUKTPGWOLU-LJQANCHMSA-N 402.947 5.085 0 40 HKAB Cc1nnc([C@@H](C)Sc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)o1 48186599 PRMKJQNZQIFXMJ-GFCCVEGCSA-N 418.444 5.648 0 40 HKAB Cc1cc(SCC(=O)Nc2ccc(Cl)cc2F)nc(-c2cccc(F)c2)n1 67257366 ZKESDKKLVSAGQM-UHFFFAOYSA-N 405.857 5.114 0 40 HKAB COc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)c1 67259457 GRLWBZVPUCUBRH-UHFFFAOYSA-N 402.519 5.054 0 40 HKAB CSc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2cccc(C)n2)c1 67297871 ZAZCEDBPVQYQHW-BZZOAKBMSA-N 417.490 5.048 0 40 HKAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C1CCN(c2nc3ccccc3o2)CC1 72277187 RTWRGJPZMPDTNF-JTHBVZDNSA-N 417.553 5.229 0 40 HKAB Cc1ccc(C)c(C[S@@](=O)[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 84142462 GBXJXDPLLPVINB-CEXHIMGSSA-N 417.880 5.252 0 40 HKAB CCN(Cc1ccccc1)C(=O)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1 96038055 SXMQSTDZBYAEDO-UHFFFAOYSA-N 420.516 5.454 0 40 HKAB CCC(CC)NC(=O)c1ccc2onc(-c3csc(-c4ccc(C)cc4)n3)c2c1 96154508 PQJDRJHATATFQI-UHFFFAOYSA-N 405.523 5.845 0 40 HKAB CC1=C[C@@H](C)[C@]2(COC(=O)Nc3ccccc3)CO[C@H](CCc3ccccc3)[C@@H]1[C@H]2C 100742920 XELGSXZQIKSUPR-GYBRQHESSA-N 419.565 6.101 0 40 HKAB COc1cc([C@@H]2OC[C@@H]3[C@@H](C)C=C(C)[C@H]2[C@H]3C)ccc1OCc1ccc(C(=O)O)cc1 101997505 MWCFKMDOPSZIPZ-OSFYCCLMSA-N 422.521 5.508 0 40 HKAB CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccs1 102490071 LVIJCZQLOCFMOJ-QHCPKHFHSA-N 408.567 6.731 0 40 HKAB O=C1S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1Cc1ccccc1 106681794 SBWWYOZEOCDAGK-HMAPJEAMSA-N 419.477 5.641 0 40 HKAB Cc1ccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1Cl 106970912 GTYLCXYCEVDUGV-UHFFFAOYSA-N 422.355 7.646 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(/C=C\c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 118915017 FLDVEKQSXXBPDV-CDNLYXROSA-N 418.621 7.211 0 40 HKAB O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1Cl 214444249 DCFRBMPJKCICGE-GIDUJCDVSA-N 414.697 5.589 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219339232 JYGPMUKJIGMGEB-FGZHOGPDSA-N 403.522 5.724 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)CSCc2cccc(Cl)c2)cc1C(C)C 223268381 LRFZBMGNLXWGGF-MRXNPFEDSA-N 405.991 5.891 0 40 HKAB COc1ccc(C(=O)N2CCCCCC2)cc1COc1ccc(-c2ccccc2)cc1 224220855 VIIKRVURQNZATA-UHFFFAOYSA-N 415.533 5.957 0 40 HKAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccccc1OC 224247795 AOHYOLSFPCJJIX-LJQANCHMSA-N 419.521 5.034 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1CSc1ccc(C)cc1 224664493 QZJKNZDZTLWKMF-UHFFFAOYSA-N 421.562 6.255 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cc2ccncc2)cc1 225172606 UHEWZYOYTWKUSF-VWLOTQADSA-N 400.522 5.347 0 40 HKAB CC[C@@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C 225552308 XKCAHRRLWPHGIK-LJQANCHMSA-N 413.989 6.975 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCCC3)cc2)CCCCCC1 225659679 DWEZJZXRXUJLFM-UHFFFAOYSA-N 402.579 5.009 0 40 HKAB COC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)ccc1OCC(C)C 225679908 PMVAYKDQKNNZJM-UHFFFAOYSA-N 409.526 5.267 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C(=O)OC 225679959 PDFDZNFOJZRNRD-UHFFFAOYSA-N 409.526 5.411 0 40 HKAB C[C@@H](NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(Cl)cc1 225806055 DPOYJVHSMQNZSK-GFCCVEGCSA-N 423.822 5.219 0 40 HKAB Cc1cc(C)c(NC(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)c(C)c1 225833448 NPPMERZCJYDMRV-UHFFFAOYSA-N 411.505 5.900 0 40 HKAB CCOc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 227486305 XXDXXNVXWIGLKQ-REWPJTCUSA-N 406.507 5.398 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(C)c(Cl)c2)cc1 408697243 HZPLKLQNAZMDBW-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CCOc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)ccc1OCC(C)C 408803646 ROWFTWQLDJGCNJ-UHFFFAOYSA-N 415.510 5.022 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCc2ccc(Cl)cc2)o1 409005978 HUQOIJAYTHSLEI-SNVBAGLBSA-N 415.729 6.462 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1C 409374863 ARHRANDZVALAET-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1S(=O)(=O)Nc1cccc(C)c1C 409383707 BBDAHQRSDKCZQJ-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB CC(C)(C)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)no1 585152216 BFPPYJZQHLENRD-MRXNPFEDSA-N 404.297 5.561 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2cccc3c2CCCC3)c(Br)c1 639338 NULKKAPMXCTGQM-UHFFFAOYSA-N 402.332 5.469 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)c4ccc(OC)c(Cl)c4)ccc3o2)cc1 851892 IBYFAWKHWBAPLF-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB CCOc1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1OCc1ccccc1Cl 887717 PKYVZMBVLIKBTD-UHFFFAOYSA-N 423.900 5.099 0 40 HKAB CC[C@@H](C)OC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 957149 WNSAZBBRNSHFBI-ZIAGYGMSSA-N 416.857 5.348 0 40 HKAB CN(C)C(=S)Oc1ccc(-c2c(-c3ccccc3)oc3ccc4ccccc4c23)cc1 1718117 SRZQITXIVYKBIA-UHFFFAOYSA-N 423.537 7.145 0 40 HKAB CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)SC3 1835812 NTKDSGSUYVVPGW-UHFFFAOYSA-N 402.610 5.436 0 40 HKAB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CCC1CCCCC1 2063140 XODWNIJOJXIERA-UHFFFAOYSA-N 417.665 7.457 0 40 HKAB CC(C)(C)c1ccc([C@@H]2CC(=O)c3cnn(-c4nc5ccccc5s4)c3C2)cc1 2329490 BUAYKWNEWWEKNY-INIZCTEOSA-N 401.535 5.692 0 40 HKAB CCOc1ccc(-n2c(SCc3ccccc3C)nnc2-c2cccs2)cc1 2445881 ZACAYPWVXMCJQW-UHFFFAOYSA-N 407.564 5.995 0 40 HKAB O=C(CCC(=O)c1ccc(-c2cccs2)s1)c1ccc(-c2cccs2)s1 2519469 KISHQZYADXZBKP-UHFFFAOYSA-N 414.598 7.112 0 40 HKAB CCCN(CCC)c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 2714672 QCKSJVRALCUDOP-UHFFFAOYSA-N 404.945 6.367 0 40 HKAB COc1cccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)c1 2714770 BXHIHFKVBWPADI-UHFFFAOYSA-N 410.452 5.979 0 40 HKAB CC(C)c1ccc(/C=C2/SC(=O)N(CNc3cccc(C(F)(F)F)c3)C2=O)cc1 3115796 BTZDADJQZACJOS-VCHYOVAHSA-N 420.456 5.935 0 40 HKAB CCn1c(SCc2cc(C(C)=O)ccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 3294807 YNRJANIILNISQA-UHFFFAOYSA-N 423.582 5.766 0 40 HKAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 3311342 KQUABDPYTAHNQX-UHFFFAOYSA-N 423.896 5.048 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(NC3CCCCC3)s2)cc1 3318742 HQKJBGYFWPDXLT-CQSZACIVSA-N 404.605 5.527 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CN1Cc1ccccc1 4033511 JOLAAOAZWHFXAB-VTJDKEBTSA-N 407.517 5.266 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 4077712 YQHLSYNLQFYDST-UHFFFAOYSA-N 414.530 6.356 0 40 HKAB O=C(O)c1cc(-c2ccccc2Br)nc2ccc(Br)cc12 4614576 ZKFNAFHIFMSEOK-UHFFFAOYSA-N 407.061 5.125 0 40 HKAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)CC24CC5CC(CC(C5)C2)C4)[C@H]3CCC1 4689532 NWLAPOVSVKPANZ-IWJYVYHMSA-N 402.582 5.776 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(Cl)c2Cl)N3)C1 4783884 CAFFSDQFPLKVRN-QGHHPUGFSA-N 409.382 6.635 0 40 HKAB CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 5092933 IXKSMAWTHOQNQN-HXUWFJFHSA-N 416.352 5.349 0 40 HKAB O=C(c1nc2ccccc2s1)N(Cc1ccccn1)c1nc2ccccc2s1 5203520 NNKQXDXXWSPQHK-UHFFFAOYSA-N 402.504 5.148 0 40 HKAB Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1c(Cl)cccc1Cl 5215370 SKDCYLUWJIASTE-BUHFOSPRSA-N 407.300 6.171 0 40 HKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)cc1 5460794 WAUJEQJQNKMUIS-QFIPXVFZSA-N 409.533 5.530 0 40 HKAB CCOc1ccc(/C=C2\SC(=N)[C@H](c3nnc(CC)s3)C2=O)c2ccccc12 6160417 PPMIFVWXGLCXHF-WDGURZEJSA-N 409.536 5.070 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 6224732 PADGULLLMUHXQL-NSHDSACASA-N 414.760 6.795 0 40 HKAB CCc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2cccc(C)c2)CC1=O 6752555 LZVZXZCMFBCTCF-JOCHJYFZSA-N 409.533 5.476 0 40 HKAB COc1ccc(N(Cc2cccs2)C(=O)CN2CCC[C@@H]2c2cccs2)cc1 7362967 LQNDAVWQHMUGRK-HXUWFJFHSA-N 412.580 5.189 0 40 HKAB CC(C)[C@@H]1O[C@H](c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)OCC1(C)C 8816165 DASMUCALWSLXOE-PZJWPPBQSA-N 421.459 6.054 0 40 HKAB Cc1ccc(-c2csc(-c3c(N)c(C(=O)c4ccccc4)n4ccccc34)n2)cc1C 8844892 KKIGBOAPFNFWCX-UHFFFAOYSA-N 423.541 6.160 0 40 HKAB CCOc1ccc2nc(SCC(=O)N[C@@H](c3ccccc3)c3cccs3)[nH]c2c1 9199857 LYGJHLFXVVOHOC-NRFANRHFSA-N 423.563 5.021 0 40 HKAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 9376327 HPBYMEVFHVPZTF-UHFFFAOYSA-N 419.506 5.063 0 40 HKAB COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc(C)c2)cc1 9460950 UCLBXLQFWHLWES-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB O=C(COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)Nc1cccc(Cl)c1 11917659 HJYUDJXZTJQXIE-UHFFFAOYSA-N 415.276 5.263 0 40 HKAB CCOc1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)cc1 12578631 LVEATIPCLOIDKV-UHFFFAOYSA-N 403.507 5.155 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 12651113 JLVOEJBTMRWQSK-UHFFFAOYSA-N 413.260 6.063 0 40 HKAB CCN(Cc1cccs1)Cn1nc(-c2cc(C)ccc2C)c2ccccc2c1=O 12684949 MTTRBJACYBKNKG-UHFFFAOYSA-N 403.551 5.221 0 40 HKAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1C(C)C 12905581 GJXYUOLBYKIXJK-UHFFFAOYSA-N 400.931 6.060 0 40 HKAB O=C(c1cnccn1)N(c1ccc(SC(F)F)cc1)c1nc2ccccc2s1 13007027 BNMGVZSVXWYKKF-UHFFFAOYSA-N 414.462 5.380 0 40 HKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 13685726 NOFMGAHCNCTYRH-VQTJNVASSA-N 416.521 5.200 0 40 HKAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3[C@@H](C)c3ccccc3)CC2=O)c1 13806234 NTCCPBNKSHTEFN-ICSRJNTNSA-N 411.505 5.175 0 40 HKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc(Cl)ccc1O 15227887 OTFUFGKDNNYQKZ-HXUWFJFHSA-N 401.245 5.480 0 40 HKAB CN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)c1ccc(-c2ccccc2)cc1 16698309 CKHDLPVAQQRVJM-AREMUKBSSA-N 414.549 5.759 0 40 HKAB CC(C)Cc1nnc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)s1 16734427 RCLQKUYLCQTVNE-UHFFFAOYSA-N 420.774 6.164 0 40 HKAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Oc2ccccc2)c1 16751062 WPFIBIIDMXKFQY-HSZRJFAPSA-N 411.457 5.541 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 18210293 MVUUOFFQPAWTMQ-ZBFHGGJFSA-N 424.810 5.351 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20145290 LMFRWZTUMGSLJG-UKTHLTGXSA-N 419.864 6.004 0 40 HKAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN([C@@H](C)c1ccccc1)C3 20610418 WTUMZCGJCYKZPO-IBGZPJMESA-N 411.501 5.605 0 40 HKAB biogenic CC(=O)Nc1ccc2nc(NC(=O)C3c4ccccc4Oc4ccccc43)sc2c1 25039300 JOPHCHOOJDCSHW-UHFFFAOYSA-N 415.474 5.131 0 40 HKAB Cc1cc(C(=O)Nc2c(C)nn(COc3cccc(C(F)(F)F)c3)c2C)c(C)o1 32610203 WSPCTTPMAIPKHL-UHFFFAOYSA-N 407.392 5.017 0 40 HKAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(N4CCCC4=O)c(C)c3)ccc2c1 32883708 AOGKOFKPTRUWJJ-QGZVFWFLSA-N 402.494 5.026 0 40 HKAB CCOc1ccccc1NC(=O)COc1ccccc1-c1nc2ccccc2s1 32958137 JBWYNUSPUHHNND-UHFFFAOYSA-N 404.491 5.380 0 40 HKAB CC(C)C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 34024965 IMTMMGXRAMGUDP-FQJHJXCSSA-N 424.544 5.135 0 40 HKAB biogenic OC1=Nc2ccc(Br)cc2[C@H](c2ccccc2)N(Cc2ccccc2)C1 36512053 MKUMZLZNDWDFBH-QFIPXVFZSA-N 407.311 5.642 0 40 HKAB CC[C@H](NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1)c1ccccc1 36615984 FXZYUJKBFORSJO-NRFANRHFSA-N 402.473 5.058 0 40 HKAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)Nc1c(F)cccc1F 36709314 GQOGBRHTDMILTE-UHFFFAOYSA-N 406.266 6.101 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCN(Cc2ccc(F)cc2)CC1 39768221 PZHITNLRYJPNNA-UHFFFAOYSA-N 414.830 5.349 0 40 HKAB Cc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2-c2ccccc2C)cc1 44086800 FVCFNZPLFBSATL-UHFFFAOYSA-N 420.563 5.343 0 40 HKAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(-c2ccc(Cl)c(Cl)c2)cc1)C(=O)O 44298450 RQGUFBVEYXNPHQ-KRWDZBQOSA-N 410.297 5.181 0 40 HKAB C[C@@H](N[C@H](c1ccccc1)c1cccs1)C(=O)Nc1ccc(Br)cc1 57508747 FUKZBLFDOFKNIJ-AUUYWEPGSA-N 415.356 5.217 0 40 HKAB CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2ccc(OC3CCCC3)cc2)n1 58244661 JLBGYLINOBJWMZ-UHFFFAOYSA-N 405.498 5.608 0 40 HKAB S=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 58268826 HEBBYHLJIZJAJC-QHCPKHFHSA-N 409.518 5.178 0 40 HKAB Cc1noc(C)c1[C@H](C)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 58426822 WNWGSYSGBSDRTD-RBZFPXEDSA-N 413.315 5.063 0 40 HKAB Cc1ccc(-c2noc(-c3cn(-c4cccc(Cl)c4)c(=O)c4ccccc34)n2)cc1 67245440 IDHQVRKRSQHQDD-UHFFFAOYSA-N 413.864 5.670 0 40 HKAB COc1ccc(-n2c(SCc3ccccc3C)nc3ccccc3c2=O)c(OC)c1 67258881 LFKAVTMVSAXZBR-UHFFFAOYSA-N 418.518 5.004 0 40 HKAB CCOC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)c1 67297394 ZASCIDRFYYNRIH-PNHLSOANSA-N 412.445 5.094 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(SC3CCCCC3)nc2)cc1 72217250 PGMPWZZMQJSPJF-OAQYLSRUSA-N 416.612 5.341 0 40 HKAB C[C@@H](Nc1cccc(-c2nc3ccccc3s2)c1)C(=O)Nc1c(F)cccc1F 95469831 UTRHYYCPHLOLSA-CYBMUJFWSA-N 409.461 5.681 0 40 HKAB CCOc1ccc2c(c1)-c1c(ss/c1=N/c1ccc(Cl)c(F)c1)C(C)(C)N2 100114792 SSMMOAPURGPWAO-FCDQGJHFSA-N 420.962 6.561 0 40 HKAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CCC3CCCC3)CC2)n1 100738815 FNKLOGSPCWSAOG-GRGXKFILSA-N 406.574 5.207 0 40 HKAB Fc1ccc(C2=C[C@H](c3ccccc3)n3nc(-c4ccc(Cl)cc4)nc3N2)cc1 100840495 NDXUOKAALQTQPV-OAQYLSRUSA-N 402.860 5.794 0 40 HKAB Cc1cc(C)cc(NC2=C[C@@H](c3ccc(F)cc3)N(c3cc(C)cc(C)c3)C2=O)c1 103670358 RIBCYGHHLBAALF-VWLOTQADSA-N 400.497 6.143 0 40 HKAB Clc1ccc(OCc2ccccc2)c(CNc2ccc(Br)cc2)c1 107038807 PXNVSYNIXUZCFG-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5ccccc5o4)ccc3C)o2)cc1C 108236658 FIQOAPWVOMIYCZ-UHFFFAOYSA-N 422.484 6.932 0 40 HKAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 108959801 BJXJWFCVTOYHJQ-OPYAIIAOSA-N 409.599 5.131 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5CC=CC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 118918346 XGZQDBRFMPJPBO-RPWQORLESA-N 410.598 6.032 0 40 HKAB CC(C)c1ccc(OCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 218959494 WOZQBXGEQYZUAX-UHFFFAOYSA-N 412.382 5.545 0 40 HKAB CCOc1ccc(C(=O)N2CCCCCC2)cc1CSc1ccc(Cl)cc1 224677478 RBCSDPNYEATWQF-UHFFFAOYSA-N 403.975 6.047 0 40 HKAB COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1Cl 225552655 AWYKQIJAXWPNND-UHFFFAOYSA-N 422.352 5.859 0 40 HKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)ccc1OC(C)C 225557157 XORRIFFHWYTQSI-UHFFFAOYSA-N 420.380 6.930 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225750188 LRRJWPQPRKNHOU-XMMPIXPASA-N 406.611 5.501 0 40 HKAB CCOc1ccccc1NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225832026 UKUKKGOMGCVUGO-UHFFFAOYSA-N 413.477 5.374 0 40 HKAB CC(C)Oc1cccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 408577241 XKZVEXFIZTWFOO-UHFFFAOYSA-N 400.522 5.284 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2cccc(C)c2)cc1 408700207 ZMRBUYNLYPCEHX-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1C 408812903 PVAZTHCAWVJYSJ-PDMLIXRGSA-N 421.586 6.058 0 40 HKAB CCc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 409122386 XNSYUORKMUJGCI-UHFFFAOYSA-N 404.312 6.886 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@@H](c2ccccc2)N3)cc1C 409131730 JQWRPMXXUZANHG-VAOGHPRRSA-N 422.572 6.852 0 40 HKAB CC[C@@H](CC(=O)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1)c1ccc(OC)cc1 507282685 PIQLJHXCEBWIMR-YADARESESA-N 417.553 5.723 0 40 HKAB C[C@@H]1c2c(F)cccc2CCN1Cc1nc(O)c2cc(-c3ccccc3)sc2n1 515920254 WODATBNJUCTBNC-CQSZACIVSA-N 405.498 5.322 0 40 HKAB CCOC(=O)c1c(C)n(CCOc2ccccc2C)c2c1cc(O)c1ccccc12 717642 VRWPAMHSSMLFEP-UHFFFAOYSA-N 403.478 5.373 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 854709 PVHZDEXMQPVIMH-UHFFFAOYSA-N 419.264 5.386 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c1 2062264 VEWYHWXQVWCPPG-UHFFFAOYSA-N 420.896 6.579 0 40 HKAB CCC(C(=O)Oc1c(Cl)cc(Cl)c2ccccc12)(C(F)(F)F)C(F)(F)F 2283622 DNXDJTKKJZGYTK-UHFFFAOYSA-N 419.148 6.573 0 40 HKAB CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@H](C(C)(C)C)C3 2356888 JOYVOIXHIDUJPA-HNNXBMFYSA-N 412.624 6.019 0 40 HKAB COc1ccc(-c2nnc3c4ccccc4n(Cc4cccc(C)c4)cc2-3)cc1OC 2691949 QUTDMZHDZJXODU-UHFFFAOYSA-N 409.489 5.577 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCC[C@H]3CCCCN3C)cc12 3457073 IVNSCENAXLPIGE-MRXNPFEDSA-N 417.962 5.080 0 40 HKAB CC1=CC[C@@H](C(=O)O)[C@H](C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)C1 4576740 RIZCELMIGUAXHK-QZTJIDSGSA-N 406.507 5.267 0 40 HKAB CCCCC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@@H]1c1ccc(OC)cc1 4816873 KIMPHEXPKUOECP-RTWAWAEBSA-N 424.932 5.198 0 40 HKAB Cc1ccc([C@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2c2ccc(C)cc2)cc1 4928785 FLSRZZPGKBDWRP-DEOSSOPVSA-N 413.908 6.097 0 40 HKAB CCCSc1nc(SCc2ccccc2)c2c3c(sc2n1)COC(C)(C)C3 5047206 ODFCJZILLDIAFC-UHFFFAOYSA-N 416.637 6.337 0 40 HKAB O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2cccc(Cl)c2)o1 5216321 HOLVZTXTGVJUKZ-UHFFFAOYSA-N 414.958 5.173 0 40 HKAB COc1ccccc1NC(=O)c1ccc(NC(=O)CCCSc2ccccc2)cc1 5261908 PIKVZHRMLAXXAV-UHFFFAOYSA-N 420.534 5.459 0 40 HKAB Cc1cc(C)c2c3ccccc3n(CCNC(=O)c3ccc(Cl)cc3Cl)c2n1 5274216 KDXJVPCMKPVAHC-UHFFFAOYSA-N 412.320 5.543 0 40 HKAB C[C@@H]1CCC2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@@](O)(C(F)(F)F)[C@@H]2C1 5275005 TUYBBCIRRSHTAP-JUKMUDQWSA-N 415.868 5.327 0 40 HKAB CC1CCN(c2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2Cl)CC1 6026080 PECMQQRFAVYGDG-UHFFFAOYSA-N 414.977 5.891 0 40 HKAB COc1ccc(NC(=O)Nc2ccc(F)cc2)cc1NC(=O)Nc1ccc(F)cc1 6847145 KPPNNNBNNIOWIV-UHFFFAOYSA-N 412.396 5.261 0 40 HKAB Cc1sc2nc(-c3ccc(-c4ccc(Br)cc4)o3)[nH]c(=O)c2c1C 8782795 LKBOSQFODIVBAB-UHFFFAOYSA-N 401.285 5.291 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3ccc(C)c(C)c3)n2)cc1Br 9320533 CHUFCCAKMLYEBG-UHFFFAOYSA-N 417.328 5.450 0 40 HKAB Cc1cc(NC(=O)[C@H](SCCCOc2ccc(F)cc2)c2ccccc2)no1 9449192 CMDKYQAABIFXGD-HXUWFJFHSA-N 400.475 5.004 0 40 HKAB COc1ccc2c(c1)CCCN2C(=O)c1oc2ccc(Br)cc2c1C 10542294 RZYSBAOJVHQKDL-UHFFFAOYSA-N 400.272 5.105 0 40 HKAB C[C@@H](CCc1ccco1)NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 11865857 FTQWPQFNSPHSBN-LBPRGKRZSA-N 409.338 5.390 0 40 HKAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccc(CSc2ccccc2)o1 12540286 GVFFFLBZLLLRDU-HSZRJFAPSA-N 400.503 5.486 0 40 HKAB CC[C@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(Br)cc1 12798028 CKYIUUQBOSZFLZ-HNNXBMFYSA-N 421.385 5.444 0 40 HKAB Cc1cccc(-n2ncc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)c2C)c1 12823823 GMQHNXLEQSNKJY-UHFFFAOYSA-N 416.550 5.119 0 40 HKAB O=C(Nc1cccc(-c2nc3ncccc3o2)c1)C1(c2ccc(Cl)cc2)CCCC1 12857139 BECSDHKIWOCOGP-UHFFFAOYSA-N 417.896 5.994 0 40 HKAB COc1ccccc1N(C(C)=O)c1nc(CSc2ncnc3ccccc23)cs1 13120833 BPJCRINABDXVOA-UHFFFAOYSA-N 422.535 5.072 0 40 HKAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3)n2CC)cc1 13871536 MJKLDTAIIOJQBY-KRWDZBQOSA-N 424.570 5.040 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 14007058 IPPYBCUQZSIUNI-IAGOWNOFSA-N 422.912 5.237 0 40 HKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccccc1Cl 14397740 NXWMOHOHOSQZHA-MRXNPFEDSA-N 405.991 5.454 0 40 HKAB CC(C)Oc1ccc(C(=O)N(C)[C@H](c2cccs2)c2c[nH]c3ccccc23)cc1 15835587 FOCWKINRUIGSED-QHCPKHFHSA-N 404.535 5.878 0 40 HKAB Cc1ccc(C)c(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)c1 16789195 ZORNSUKGWIBNGX-UHFFFAOYSA-N 405.954 6.497 0 40 HKAB COc1ccc(Cn2nc(-c3ccc(OC)cc3)cc2-c2ccc(OC)cc2)cc1 17081900 SKSDMEMNENOICZ-UHFFFAOYSA-N 400.478 5.291 0 40 HKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(Cl)cc1Cl 17090202 CHWNTIISAVEYEL-UHFFFAOYSA-N 415.255 5.427 0 40 HKAB COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccccc3)cc2O)cc1OC 18085619 PCIDUQSBVJULLO-UHFFFAOYSA-N 402.450 5.046 0 40 HKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)N1CCCCCCC1 19316221 QJJPYOLAKKWKIN-UHFFFAOYSA-N 409.530 5.321 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc(Cl)ccc1Cl 21580323 YNNBVWSYXISJOI-UHFFFAOYSA-N 412.276 5.798 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 22531486 SPOWYILEOBVPFI-JOCHJYFZSA-N 404.510 5.164 0 40 HKAB Cc1noc(C)c1CCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 24828863 TXGFMGBURBDOKK-UHFFFAOYSA-N 410.326 5.217 0 40 HKAB CC(C)(C)c1nc(CSc2nc3ccccc3c(=O)n2CCC2=CCCCC2)no1 28012273 OXJFZQXNZSZEMN-UHFFFAOYSA-N 424.570 5.260 0 40 HKAB O=C(Nc1ccc(F)cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 28539315 WJXYIHQCNWUOBH-UHFFFAOYSA-N 419.459 6.355 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(F)cc4C)cc3)n2)cc1 32578657 YCNCIIXHUAJDCQ-UHFFFAOYSA-N 417.440 5.177 0 40 HKAB Cc1cccn2c(=O)cc(CSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)nc12 32857900 IMIJBYDDUIWVES-UHFFFAOYSA-N 424.529 5.352 0 40 HKAB C[C@H]1CC[C@@H](C)C[C@H]1NC(=O)Nc1cccc(NC(=O)N[C@@H]2C[C@H](C)CC[C@H]2C)c1 35944082 IGGGFPGDTBGUDH-HLDKGHONSA-N 414.594 5.579 0 40 HKAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 44847226 DAJNSSZPPCUQOR-NRFANRHFSA-N 411.885 5.937 0 40 HKAB CCOC(=O)/C=C/c1cc(Br)c(-c2ccc(C)cc2Br)o1 57353799 SPIWOMYTACEXJP-FNORWQNLSA-N 414.093 5.356 0 40 HKAB Cc1cc(Nc2ccc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c3c2)c2ccccc2n1 71405488 WLYDUKDONMTQHU-UHFFFAOYSA-N 419.315 7.137 0 40 HKAB O=C(CCCc1nc2ccccc2s1)N1CCC(Nc2ccccc2Cl)CC1 72278850 RPFMOEYMJMBINB-UHFFFAOYSA-N 413.974 5.376 0 40 HKAB O=C(C1CCC1)N1CCCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 72391350 JSDAFVZRZFRCJT-JOCHJYFZSA-N 413.525 5.136 0 40 HKAB CC(C)(C)c1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)cc1 102076632 ZGCLRGHZIOQNLH-SJUWYAIISA-N 413.517 5.334 0 40 HKAB CCOc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccccc1Cl 107042884 BLIMKYLNLVYACG-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB O=C(COc1ccc(CNc2ccc(F)cc2)cc1Cl)Nc1ccccc1Cl 108080184 HAFMTELMQOFKAW-UHFFFAOYSA-N 419.283 5.762 0 40 HKAB CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118913879 CSVWWLUMXNHWSU-NNAKJMJASA-N 414.718 7.881 0 40 HKAB biogenic,in-vitro CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 118927671 CGHGJNRXRSZLJH-COTULDOOSA-N 414.674 7.729 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccc(Cl)cc1 222912042 KIUYBVSTCSHZQH-NRFANRHFSA-N 420.018 5.845 0 40 HKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223352602 GEAHUJGXCIALOD-HRAATJIYSA-N 403.950 5.815 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1Cc1ccccc1 223393752 WYOYRGLLIUKOBD-BJKOFHAPSA-N 410.546 5.045 0 40 HKAB CCc1ccc(OCC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(Br)c1 223450441 OUOKFPULFQXDCG-INIZCTEOSA-N 404.348 5.193 0 40 HKAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 223883380 YJKYTCGVPQZNGW-RBUKOAKNSA-N 414.987 5.040 0 40 HKAB C[C@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccccc3)CCCCC2)cn1 223993385 GVKZZZJRXPNPIC-FQEVSTJZSA-N 422.642 5.649 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)c1 224228423 RSMGZBNYYVQWCX-GOTSBHOMSA-N 402.567 5.320 0 40 HKAB O=C(O)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1 226341527 LUQPRYDJNYNWJX-DAFODLJHSA-N 420.061 5.572 0 40 HKAB COc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 227147759 FRHPJUAVODGPCM-UHFFFAOYSA-N 411.672 5.750 0 40 HKAB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 247842162 ONASDRLHBXVPID-KXLWJZTGSA-N 402.321 6.077 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4)C3)cc2)c1 408637797 ADIJAUGZLYGIED-IBGZPJMESA-N 400.478 5.087 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)cc3)n2)cc1 408698362 MXTQOJHDOROJSW-UHFFFAOYSA-N 416.912 5.711 0 40 HKAB COc1cc2c(cc1C)-c1nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc1CC2 409053826 QNDIFIPKAQYADX-UHFFFAOYSA-N 406.551 5.776 0 40 HKAB Cc1c(Cl)cccc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1F 409113079 HWVVLHMWSJQSJI-UHFFFAOYSA-N 424.730 7.285 0 40 HKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(C)cc2C)nc1-c1ccccc1 409195794 QMULNLMKIMFKNL-UHFFFAOYSA-N 406.551 5.981 0 40 HKAB O=C1N/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1c1ccc(Cl)cc1 409232773 PRWCSOSUMAHDMV-FYJGNVAPSA-N 422.843 5.155 0 40 HKAB CC(C)[C@@H]1C[C@H](c2ccc(Cl)cc2)CO[C@H]1c1ccc(OCCCN(C)C)cc1 585292691 QYGPCQJRSLLBNV-TUSQITKMSA-N 416.005 6.188 0 40 HKAB Cc1c(C(=O)c2ccc(Br)cc2)sc2nc3cc(F)c(F)cc3n12 721134 VFVDTMVGMZXTKS-UHFFFAOYSA-N 407.239 5.129 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)c3ccccc3n2)cc1OC 996667 MYBARRVGFSIDQS-UHFFFAOYSA-N 418.880 5.825 0 40 HKAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1cc(Cl)ccc1OC 1772978 JQJSKPLAWKNVRP-UHFFFAOYSA-N 405.281 5.779 0 40 HKAB COC(=O)CN1C(c2ccc(OC)cc2)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1 1794286 OMIWVZGQMXEZLZ-HSZRJFAPSA-N 420.896 5.005 0 40 HKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccccc1F 1934955 XRPPWPJHLOPVKN-UHFFFAOYSA-N 403.862 5.637 0 40 HKAB CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1Cl 2177498 NWLIYNWTXQKZHU-OJVSJSBUSA-N 401.937 6.458 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(c1cccc(C)n1)C3=O 2368189 XELAULRULYQKLF-NRFANRHFSA-N 416.864 5.208 0 40 HKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1nc2ccccc2s1 2372599 ZYVXLNHRCXGUOA-UHFFFAOYSA-N 424.312 5.969 0 40 HKAB CCN(CC)c1nc(SC)nc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 2406628 DSCRWDPNJMUYSE-UHFFFAOYSA-N 420.607 5.963 0 40 HKAB Cc1cc(Br)ccc1Oc1nc(-c2ccccc2O)nc2ccccc12 2432395 BJEKLRXWKYILFC-UHFFFAOYSA-N 407.267 5.866 0 40 HKAB CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 4056165 FFRUHYOBORFNFV-XMHCIUCPSA-N 421.368 6.123 0 40 HKAB CC1CCN(c2ccc(NC(=O)COc3ccc(C4CCCCC4)cc3)cc2)CC1 4123037 WKLWMLDFZPJPPD-UHFFFAOYSA-N 406.570 5.988 0 40 HKAB CCCCc1ccc(C(=O)NCCc2csc3nc(-c4cccc(C)c4)nn23)cc1 4374843 WYDIMPOYNGWVQJ-UHFFFAOYSA-N 418.566 5.081 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)COc3ccc(-c4ccccc4)cc3)ccc21 4675721 ACVNDVPPUHLDLX-UHFFFAOYSA-N 420.512 6.499 0 40 HKAB CCCCOP(=O)(COC(=O)Nc1ccc(Cl)c(Cl)c1)OCCCC 4812132 BTLDZINKGPCZAY-UHFFFAOYSA-N 412.250 6.326 0 40 HKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2c1 4906069 PNIFLPLITXQTPV-UHFFFAOYSA-N 407.300 6.769 0 40 HKAB CCOc1ccc2nc(N(Cc3cccnc3)C(=O)CCc3ccccc3)sc2c1 5141995 AFEDWAIEINSVDI-UHFFFAOYSA-N 417.534 5.256 0 40 HKAB COc1ccc(NC(=O)C[C@@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1 5297245 XNLWJCPLCGWABX-DEOSSOPVSA-N 407.485 5.782 0 40 HKAB CC(C)Oc1ccc(CNCC[C@H](c2ccc(OC(C)C)cc2)C2CCCCC2)cc1 5307682 SOWMBDZUTKYBOB-NDEPHWFRSA-N 423.641 7.105 0 40 HKAB CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@@H]3C[C@@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 5528238 YYJQALYDDZZWSF-FFEPGFRGSA-N 400.603 5.335 0 40 HKAB Cc1ccc(-c2nnc(N3CCC(Cc4ccccc4)CC3)c3ccccc23)cc1C 5753866 YVQZPNPSLRZQML-UHFFFAOYSA-N 407.561 6.373 0 40 HKAB C[C@@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 6077161 FCGCLNRWCPLDFY-GWKODMSMSA-N 407.529 5.739 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1 6225350 FXFYWUVMZLLYEZ-UHFFFAOYSA-N 408.929 5.840 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2cc(Cl)ccc2Cl)o1 6861828 KEEZWVAZRBLZAR-UHFFFAOYSA-N 401.076 6.813 0 40 HKAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc2c(c1)CCCC2 9193337 ZQAGIQAAXLKMID-UHFFFAOYSA-N 420.582 5.191 0 40 HKAB Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccc(Cl)cc3)c2c1 9499110 VMYFGBLBFZGHSS-UHFFFAOYSA-N 421.327 7.078 0 40 HKAB CCOC(=O)c1c(NC(=O)CCSc2ccc(Cl)cc2)sc2c1CCCC2 9630251 AMXSHGIJNIWOHW-UHFFFAOYSA-N 423.987 5.578 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3cccs3)C[C@H]21 12196476 RCNGNGKRWOOMEA-AUSIDOKSSA-N 422.575 6.111 0 40 HKAB CCCOc1cc(Nc2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)nc(C)n1 12225931 ODTSDLAANTYBCP-UHFFFAOYSA-N 411.893 5.615 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)cc1 12420234 HNLNQJYWWLCUAG-MDWZMJQESA-N 420.921 6.277 0 40 HKAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)OCc3cccc4cccnc34)c2C)cc1 12825735 SEXSZHUQXWCLRF-BUHFOSPRSA-N 411.505 5.161 0 40 HKAB Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@@H]3CCCc4ccccc43)s2)c1 13138523 BYPGCWSTNHDOBX-HNAYVOBHSA-N 424.595 5.265 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1)c1ccccc1 14007056 IPPYBCUQZSIUNI-DLBZAZTESA-N 422.912 5.237 0 40 HKAB CCn1c(SCc2ccccc2Cl)nnc1-c1ccc(Br)cc1 14071191 MQCACBSTQZMMSB-UHFFFAOYSA-N 408.752 5.673 0 40 HKAB C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 15449195 GMBQZIIUCVWOCD-GIQKDXPTSA-N 416.646 5.794 0 40 HKAB biogenic CCOc1ccc(Br)cc1[C@H]1N=C(O)c2c(sc3c2CC[C@@H](C)C3)N1 15947690 JHKXLDHGOQRRPD-QGHHPUGFSA-N 421.360 5.463 0 40 HKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cccc2ccccc12 17087834 BXSKTBXBGGRPLK-PKNBQFBNSA-N 408.284 7.059 0 40 HKAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 17092941 RWBSARZBAIQOQY-ZDUSSCGKSA-N 422.381 5.499 0 40 HKAB Cc1ccccc1Nc1nc(NC2CCCCCC2)nc2c1cnn2-c1ccccc1 17136018 FETFSBUDZFNAGW-UHFFFAOYSA-N 412.541 6.002 0 40 HKAB CN(Cc1ccccc1Br)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 18074392 CTWGDKJYLJUXKI-UHFFFAOYSA-N 419.319 5.068 0 40 HKAB COc1ccc([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 20040627 REZNAYAKDSICGX-AWEZNQCLSA-N 420.347 5.011 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 20104742 WMYFSLQTONXSAA-HNNXBMFYSA-N 409.165 6.810 0 40 HKAB CC(C)Oc1ccc(CNC(=O)COc2ccc(C(C)C)cc2Br)cc1 20456076 SAYOWXIBIUWYOH-UHFFFAOYSA-N 420.347 5.055 0 40 HKAB Cc1ccc(OCCSc2nc3ccc(NC(=O)CC(C)C)cc3s2)cc1 20895105 NIKXYUDFUWMHBY-UHFFFAOYSA-N 400.569 5.760 0 40 HKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2cccc(C)c2C)CC1=O 21524518 YHOAXBLXUBXXHK-NRFANRHFSA-N 419.569 5.238 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)C[C@@H]3Sc4ccccc4NC3=O)ccc21 21706554 ASZMTLDQGIITCR-QFIPXVFZSA-N 415.518 5.256 0 40 HKAB Cc1cc(OCC(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)ccc1Cl 28289142 XWJYHVKJFUYXQW-UHFFFAOYSA-N 419.283 5.448 0 40 HKAB C[C@H](NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1nnc(-c2cccs2)o1 28809555 VTLDLHRLAVEIES-LPHOPBHVSA-N 414.534 5.762 0 40 HKAB O=C(CCN(Cc1cccs1)C[C@H]1CCCO1)Nc1cc(Cl)ccc1Cl 28887751 ZVJBYBAPBUCHQT-OAHLLOKOSA-N 413.370 5.065 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N[C@@H](C)c1ccc(Cl)cc1Cl 32800298 NTLJWIMIEKJEDP-WDEREUQCSA-N 401.721 5.333 0 40 HKAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1nc(Cl)ccc1Cl 36697860 XKOCAQQLKNFKEO-INIZCTEOSA-N 410.304 5.432 0 40 HKAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)N1CCC[C@H]1c1ccsc1 45974017 NUXLHUFCVBQMLO-INIZCTEOSA-N 414.449 5.161 0 40 HKAB COc1ccc(NC(=O)c2scc(-c3cccc(F)c3)c2-n2cccc2)cc1OC 48991739 PRXJBINPLIHUOQ-UHFFFAOYSA-N 422.481 5.614 0 40 HKAB O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1ccccc1SCc1cscn1 54283105 ATLDSMOJKAVTCX-GOSISDBHSA-N 414.527 5.218 0 40 HKAB O=C(/C=C/c1cc2cc(Cl)ccc2o1)Nc1ncc(Cc2ccccc2F)s1 67340038 RLFUSOPMORCGJW-SOFGYWHQSA-N 412.873 5.925 0 40 HKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 68561877 CYJSNZBHAMEETA-XZOQPEGZSA-N 414.509 5.189 0 40 HKAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(Br)cc1 72229870 YBCKYGLXRRLRPF-LJQANCHMSA-N 416.702 5.437 0 40 HKAB CC(=O)Nc1ccc(CN2CCC[C@@H](c3nccnc3-c3cccc(Cl)c3)C2)cc1 72359048 PKURZKJGPZWNPI-HXUWFJFHSA-N 420.944 5.135 0 40 HKAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccc(OCc3ccccc3F)cc2)S1 85412256 LYJNKEJWRFZTBD-FQEVSTJZSA-N 411.502 5.362 0 40 HKAB Cc1ccc(-c2nc(S(=O)(=O)NCc3ccccc3)c(-c3ccccc3)s2)cc1 94992806 KCPYMPGZZFOUGX-UHFFFAOYSA-N 420.559 5.264 0 40 HKAB O=C1N=C(Nc2cccc(C(F)(F)F)c2)/C(=C\c2ccc3nccnc3c2)S1 103499907 YBSJFRBMCOIRQP-CXUHLZMHSA-N 400.385 5.367 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 106689697 ITXFAFHERYNQSX-FAPYRAKZSA-N 415.486 5.248 0 40 HKAB CC(C)CCC[C@@H](C(=O)O)C1=CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@@H]2C1 118914804 LDPPQIQFKNQQLH-KPFKKNQCSA-N 416.646 6.453 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1Cl 222843253 REIWGSAWDNYDTD-INIZCTEOSA-N 414.933 5.117 0 40 HKAB C[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc2c(c1)CCC2 223231294 BFKJZWNWHFKYNK-QGZVFWFLSA-N 405.925 5.899 0 40 HKAB CC(C)Sc1nnc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)s1 224513269 LDVAWUVGVDMMGL-UHFFFAOYSA-N 419.959 5.523 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2O1 225017523 IMJDHUHIRXTVJN-SIKLNZKXSA-N 409.570 6.085 0 40 HKAB CC1CCN(CCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)CC1 225534127 HSANONFOTDQKFW-UHFFFAOYSA-N 420.597 5.638 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NCCCSCc2ccccc2C)c(C)c1 225601579 ZJWPYBPROXZMEE-UHFFFAOYSA-N 416.612 5.090 0 40 HKAB CCCO[C@@]1(C(=O)Nc2cc(C)c(OCc3ccccc3)c(C)c2)CCC[C@H](C)C1 225666875 CCOOSVYCBRWNNG-SIBVEZHUSA-N 409.570 6.196 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC=C(C5(C)OCCO5)[C@@]4(C)CC[C@H]32)C1 245239522 JYRJWVYVMVQZQS-XPUPLBFISA-N 400.559 5.180 0 40 HKAB O=C(c1ccc2ccccc2n1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257271741 MZPXMJAKQZUKJA-QHCPKHFHSA-N 415.468 5.320 0 40 HKAB CCCc1s/c(=N\C(=O)c2ccco2)n(CC)c1-c1ccc(Br)cc1 408560586 DLMMBHKHYSQXRB-VZCXRCSSSA-N 419.344 5.286 0 40 HKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 408576380 SXPGITYOKWDUKK-ABVOBTCJSA-N 405.607 6.582 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccccc2)cc1Cl 408697288 IMXJIGNREWGBCR-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1ccc(C)c(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3)n2)c1 408699983 YANSAJMSWUTOCC-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCc1ccccc1Cl 408882197 QKHGSXHEPZSMSZ-SXGWCWSVSA-N 423.321 5.110 0 40 HKAB CC(C)c1ccc2c(c1)NC(=O)C[C@@H]1CCN(CCCc3ccccc3)C[C@@H]1CCO2 1534646747 SIFDUQZHDKFJHW-ZEQRLZLVSA-N 420.597 5.492 0 40 HKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4cc(Cl)ccc4Cl)c(N)c3cc2C1 661718 UKISVRZJCUTSGW-SNVBAGLBSA-N 420.365 5.953 0 40 HKAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3)n2-c2ccccc2)cc1 868889 VTGHFPGDXZEZII-SFHVURJKSA-N 414.534 5.362 0 40 HKAB C[C@@H]1CCc2c(sc3nc(C4CC4)n4c(SCc5ccccn5)nnc4c23)C1 1339704 JYIZFKLDDZZORL-GFCCVEGCSA-N 407.568 5.029 0 40 HKAB CC(=O)c1ccc(NC(=S)Oc2cccc(C(=O)Nc3ccccc3Cl)c2)cc1 1435563 LFYCSVYBOFVNKN-UHFFFAOYSA-N 424.909 5.571 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)N(C[C@@H](O)c1ccccc1)C1CCCCC1 1753322 ZZFFYFYQJHDPOZ-HXUWFJFHSA-N 406.448 5.606 0 40 HKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1c(C)ccc(C)c1C 1775924 CRVJYVIZYIVRMD-UHFFFAOYSA-N 423.534 5.535 0 40 HKAB CC[C@H](C)OC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 1915071 YWZCCWZVIIJDLL-KBPBESRZSA-N 400.858 5.222 0 40 HKAB O=c1c2c3c(sc2nc(SCCc2ccccc2)n1C1CCCCC1)CCCC3 2179083 HUMHPCFRHDGFMR-UHFFFAOYSA-N 424.635 6.177 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(SCc2ccc(Cl)cc2)s1 2252571 KWFAQDZOQHTQRN-UHFFFAOYSA-N 411.339 5.781 0 40 HKAB COc1ccc(Oc2c(C)oc3cc(OCc4cccc(Cl)c4)ccc3c2=O)cc1 2417488 RNFBHINTDBYGCQ-UHFFFAOYSA-N 422.864 6.135 0 40 HKAB biogenic COc1ccc(C(=O)Oc2ccc3cc(-c4ccc(Cl)cc4)c(=O)oc3c2)cc1 2552359 XEKBVBYPDBAURD-UHFFFAOYSA-N 406.821 5.341 0 40 HKAB COc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(C)cc2C)cc1F 2651452 USSRMZIXHWBPOH-UHFFFAOYSA-N 420.513 5.386 0 40 HKAB COc1ccc(OCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 2669803 YPTHIBCXKWMLTB-UHFFFAOYSA-N 423.321 5.067 0 40 HKAB CCOc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Cl)cc2Cl)cc1 2728600 RWCGJORTLDMDBJ-QGZVFWFLSA-N 413.395 5.837 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)NCCOC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 2756041 JIZMZJJCVFKQCH-KAVGSWPWSA-N 405.538 5.319 0 40 HKAB CC(=O)N1c2ccccc2[C@@H](N(C(=O)/C=C/c2ccccc2)c2ccccc2)C[C@@H]1C 3182089 DCZDXBPFAUVTBW-IPTZZGIJSA-N 410.517 5.619 0 40 HKAB CC(C)(C)c1cc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc(C(C)(C)C)c1 3217836 ATQRFALSWNWKKI-UHFFFAOYSA-N 401.934 5.731 0 40 HKAB O=C(CN[C@H]1CCCc2ccccc21)Nc1cc(Cl)ccc1Oc1ccccc1 3354953 LCQPPQCOCDIGLU-NRFANRHFSA-N 406.913 5.738 0 40 HKAB CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc12 4660863 CBWTUGPKXMADHZ-UHFFFAOYSA-N 415.511 5.116 0 40 HKAB COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1Cl 5614118 TTWUWSBHOVEXNT-UHFFFAOYSA-N 420.896 6.533 0 40 HKAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 5827836 HHCUODSRPCZXCJ-ARFHVFGLSA-N 405.567 5.935 0 40 HKAB COc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc(-c3ccccc3)cs2)cc1 6484505 GBYLVABADFVOHU-XMMPIXPASA-N 411.530 6.174 0 40 HKAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cccc(Cl)c1Cl 6885825 UVALAEQOFQFECD-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)/C=C/c1cccs1 7272930 HHXQOOIYGSHALE-PKNBQFBNSA-N 413.564 5.459 0 40 HKAB CCc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(C)c3)CC2=O)cc1 7544259 HEQWOKKWJLVVBQ-QFIPXVFZSA-N 409.533 5.476 0 40 HKAB Cc1cccc(-c2noc(CNC(=O)c3ccccc3SCc3ccccc3)n2)c1 7684953 BTEHMHQBHUDFFN-UHFFFAOYSA-N 415.518 5.267 0 40 HKAB Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)s2)cc1 7758566 BOHDARBKLJSELD-KBPBESRZSA-N 416.547 5.087 0 40 HKAB CSc1ccc(Cl)c(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 8105333 JBRBUGAKXNEDGQ-CYBMUJFWSA-N 402.972 5.691 0 40 HKAB Cc1nc2ccc(Br)cc2c(O)c1CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 8714165 UYIXMJFJLXYPIV-BTYIYWSLSA-N 403.364 5.412 0 40 HKAB Cc1ccc(C(=O)C[C@H](Nc2ccc(Cl)cc2)c2ccc(C(C)(C)C)cc2)cc1 8783303 WKQJINZXJQJNIG-DEOSSOPVSA-N 405.969 7.372 0 40 HKAB Fc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9308777 GWYANDBZRBVFQY-CTNGQTDRSA-N 422.301 6.084 0 40 HKAB O=C(Cc1ccc2c(c1)OCO2)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 9521468 VVHRBSWYWKWXBW-UHFFFAOYSA-N 407.278 5.027 0 40 HKAB COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2C(C)=C(C)C(=O)N2Cc2ccco2)c1 9668422 MTVPMXLOYDTZNZ-VWLOTQADSA-N 412.489 5.856 0 40 HKAB O=c1c(CN2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)no2)coc2ccccc12 12154152 ZEXACMRBEGIMJI-JOCHJYFZSA-N 418.468 5.704 0 40 HKAB Cc1cc(C)n(-c2ccc(C(=O)N3[C@H]4CC[C@@H]3CC(c3ccc(F)cc3)C4)cc2)n1 12181181 FPSAZKJBKHOTQZ-UEMOLPEBSA-N 403.501 5.179 0 40 HKAB Cc1noc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)C(C)(C)C)cc2)c1C 12182233 JUODQHUMUCGQNM-UHFFFAOYSA-N 406.530 5.201 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](Nc2ccc3c(c2)OCCCO3)c2ccccc2)c1 12555411 WYZQNHPADLUVGE-XMMPIXPASA-N 402.494 5.257 0 40 HKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nc(-c4ccccc4)cs3)cc12 12711556 IJCNMXCWRZILNR-UHFFFAOYSA-N 416.531 5.771 0 40 HKAB Cc1cccc(-n2c(S[C@@H](C)c3nc(C(C)C)no3)nc3ccccc3c2=O)c1 12888671 JZBSZBVOCYCNSY-HNNXBMFYSA-N 406.511 5.054 0 40 HKAB CCCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)Nc3nc4ccccc4n32)cc1 13634792 IDINGPNDQYXBGR-QFIPXVFZSA-N 405.498 5.067 0 40 HKAB Clc1ccc(OCc2nnc3sc(-c4c[nH]c5ccccc45)nn23)c(Cl)c1 13692565 XIIITEXUTVYTNS-UHFFFAOYSA-N 416.293 5.220 0 40 HKAB COc1cccc(N2C[C@H](c3nc4ccccc4n3[C@@H](C)c3ccccc3)CC2=O)c1 13806237 NTCCPBNKSHTEFN-AZUAARDMSA-N 411.505 5.175 0 40 HKAB CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 14091668 KHSPGTNKKHBMPD-UHFFFAOYSA-N 408.354 5.497 0 40 HKAB C[C@H]1CC2(CCCCC2)N2C(=O)[C@@]3(NCCc4c3[nH]c3ccccc43)c3cccc1c32 14162420 QGTXVWQWWVHIBP-CBZJRKILSA-N 411.549 5.114 0 40 HKAB O=C(Nc1ccc2[nH]c(-c3ccc(Cl)cc3)nc2c1)c1cccc(Cl)c1Cl 16383862 GYVOUMBALSYUGK-UHFFFAOYSA-N 416.695 6.442 0 40 HKAB CCC(=O)Nc1nc2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2s1 16609961 ZMGIYWNNYRIYBN-UHFFFAOYSA-N 405.932 5.029 0 40 HKAB Cc1ccc(C)c(-c2[nH]c(-c3ccc(F)c(Br)c3)nc2-c2ccccc2)c1 18194325 PLBXGSZDJDLOSY-UHFFFAOYSA-N 421.313 6.929 0 40 HKAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(CSCc2ccccc2)cc1 20238917 WFWGKNQWXCDHMC-UHFFFAOYSA-N 416.373 6.357 0 40 HKAB c1ccc(-c2nc(N3CCc4ccccc4C3)c3oc(-c4ccccc4)nc3n2)cc1 28287182 AEELOICPKAJNFB-UHFFFAOYSA-N 404.473 5.515 0 40 HKAB O=C(Nc1cnn(Cc2cccc3ccccc23)c1)Nc1ccccc1C(F)(F)F 32609578 ZSEXFUDXNOQQFU-UHFFFAOYSA-N 410.399 5.747 0 40 HKAB O=C(Cc1csc(COc2ccccc2)n1)Nc1ccc(Oc2ccccc2)cc1 33326304 RLLFWEYODDLOKC-UHFFFAOYSA-N 416.502 5.696 0 40 HKAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@H](c3cc(F)ccc3F)N1CC2 36735071 AZEUVOQCEXPIMD-ZEQRLZLVSA-N 408.448 5.054 0 40 HKAB Cc1nccn1-c1ccc(CNC(=O)c2ccccc2SCc2ccccc2)cc1 38753563 OOLBOTOKMDSMKJ-UHFFFAOYSA-N 413.546 5.403 0 40 HKAB COc1cc([C@H](C)NC(=O)c2ccccc2C(F)(F)F)ccc1OC1CCCC1 40121432 LKJAHBBDTILVPD-AWEZNQCLSA-N 407.432 5.526 0 40 HKAB COc1cccc([C@H]2SCC(O)=Nc3c2c(C)nn3C)c1OCc1ccccc1C 44901550 MJUWSAFKTPLLNN-JOCHJYFZSA-N 423.538 5.049 0 40 HKAB Cc1cc(C(=O)N(Cc2ccccn2)c2ccc(F)cc2F)c2ccc(F)cc2n1 48326643 FJROXPHJFBMBES-UHFFFAOYSA-N 407.395 5.203 0 40 HKAB O=c1[nH]c(CN(Cc2ccc(F)cc2)C2CC2)nc2scc(-c3cccs3)c12 57363714 WTDISVDLKVCJDX-UHFFFAOYSA-N 411.527 5.017 0 40 HKAB Cc1ccc(-c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)o2)cc1 57462819 VLFUSXISFHAXBR-UHFFFAOYSA-N 413.587 5.631 0 40 HKAB CCC[C@@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1cccc(C(F)(F)F)c1 58225981 HSXQZVZVJCSPQM-GOSISDBHSA-N 409.448 5.313 0 40 HKAB CCOc1ccc(-n2c(SCc3ccc(C)c(C)c3)nc3ccccc3c2=O)cc1 67259624 AEVAMIYARMWUCN-UHFFFAOYSA-N 416.546 5.694 0 40 HKAB CC(C)(C)c1ccc(-c2nc3cc(Br)c(N)c(Br)c3o2)cc1 70461291 YEDWJUXOSKQJAB-UHFFFAOYSA-N 424.136 5.900 0 40 HKAB O=C(c1cccc(Br)c1)N1CCC(COCc2ccc(Cl)cc2)CC1 77099677 LENNDVKZDSUWBN-UHFFFAOYSA-N 422.750 5.172 0 40 HKAB O=C(/C=C/c1cnc2ccccc2n1)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 89878654 OCJZNXLNUWYKRD-ZRDIBKRKSA-N 424.485 5.264 0 40 HKAB CC(C)(C)c1[nH]c2ncccc2c1CN1[C@H]2CC[C@H]1CC(O)(c1ccccc1F)C2 100736518 NRSVGCNLNNHISB-IRXDYDNUSA-N 407.533 5.014 0 40 HKAB CCOc1ccc2c(c1)-c1c(ss/c1=N/c1ccc(Cl)cc1C)C(C)(C)N2 101461575 XRTZOICOIQEGIO-BSYVCWPDSA-N 416.999 6.730 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(Cl)c3)N21 222684103 IEIUJRUMXVYQIH-MAODMQOUSA-N 408.958 5.505 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)NCc1nc(-c2ccc(Cl)cc2)no1 222696967 WXOYKAXZPCRHQV-UHFFFAOYSA-N 422.337 5.232 0 40 HKAB CCc1ccc(OCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 223458644 UXZFBSCFKSVXAC-UHFFFAOYSA-N 405.563 5.659 0 40 HKAB COc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C(C)C 223630604 XGVJMHIYWQSNIJ-UHFFFAOYSA-N 423.578 5.518 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1C 224105672 NVYXIBJSBALNCQ-QGZVFWFLSA-N 409.913 5.727 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1cccc(C)c1 224112709 HKTLOFSRLWIAOG-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccc2ccccc2c1 224311610 PMJMDQHAPGOJMF-UHFFFAOYSA-N 411.501 6.297 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1cccc(OC)c1 224587344 CCVXMGSGGDEFHJ-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224926475 LBGKWUHUTDLYDT-UHFFFAOYSA-N 410.807 6.193 0 40 HKAB Cc1c(Cl)cccc1NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 225338299 HZCZJCXVJNOCBQ-UHFFFAOYSA-N 419.937 6.015 0 40 HKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225357131 FGWUTMAVWRQKOS-CYBMUJFWSA-N 415.946 5.562 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c(C(F)(F)F)c3)CCOCC2)cc1 225955607 NVCCJDYQMRPJCD-UHFFFAOYSA-N 421.459 5.488 0 40 HKAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)cc1Cl 408651393 CHRGSDOSEKXBPC-SFHVURJKSA-N 405.881 5.274 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3C)n2)cc1C 408693594 AONPWAYNRMZWCX-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(C)cc2C)cc1 408698601 OLDRWWPTSQASFZ-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 408705811 NVJNYZIIOZFVSE-LBPRGKRZSA-N 410.739 5.806 0 40 HKAB Cc1ccc(COc2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc2)cc1 408818811 QRGKPLHMUJOSGL-JCMHNJIXSA-N 401.487 5.815 0 40 HKAB Clc1ccc(CSc2nnc(COc3ccc4c(c3)CCCC4)o2)cc1Cl 409006263 IHQTVXNHAFASEG-UHFFFAOYSA-N 421.349 6.127 0 40 HKAB O=C(c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2)N1CCCCCC1 409169734 YXZSLCXYFHAABE-RAAUGIHRSA-N 400.566 5.999 0 40 HKAB Cc1ccc(Cn2cc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 409199597 PIIAGPLONOLTDX-IWIPYMOSSA-N 421.500 5.091 0 40 HKAB O=C(O)c1ccc(-c2ncc(C(=O)Nc3cccc(Oc4ccccc4)c3)s2)cc1 1772715328 XAQSQYGZKCIKEF-UHFFFAOYSA-N 416.458 5.553 0 40 HKAB O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1)C1CC1 1447990 JGFMNCUZUMMBHG-UHFFFAOYSA-N 408.759 5.448 0 40 HKAB biogenic Clc1ccccc1C(Nc1nc2ccccc2s1)Nc1nc2ccccc2s1 1583571 SJSQHRNOQKHIIE-UHFFFAOYSA-N 422.966 6.782 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(Cl)c(Cl)c1 2081869 KKUXKLGNSXIOJM-UHFFFAOYSA-N 418.132 6.676 0 40 HKAB CCOCCCNC(=O)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1)N2 2140404 AVXULQZSPUSULE-KJDMZOHVSA-N 404.554 5.140 0 40 HKAB CCCC[C@@](CCC(=O)O)(C(=O)OCC)c1csc(Nc2ccc(C)cc2)n1 2208174 TUIOYHLVYKFMEQ-NRFANRHFSA-N 404.532 5.051 0 40 HKAB Clc1ccc(-n2ncc3c(SCc4cccc5ccccc45)ncnc32)cc1 2442636 IMAQFUTWJBPANH-UHFFFAOYSA-N 402.910 5.914 0 40 HKAB Cc1cccc(NCC(=O)Nc2ncc(Cc3cc(Cl)cc(Cl)c3)s2)c1 2887662 JNNQPGQCGRTYMZ-UHFFFAOYSA-N 406.338 5.400 0 40 HKAB OC(CSCc1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 3128219 FQUQMUQGQWUPEP-UHFFFAOYSA-N 423.792 6.816 0 40 HKAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(Cc2ccccc2)cc1 4032224 ICPWHJTZEJUKIX-UHFFFAOYSA-N 403.485 6.073 0 40 HKAB COc1cccc(CNCc2cccnc2)c1OCc1ccc(Cl)cc1Cl 4413516 BVOHYLSWYLFQPA-UHFFFAOYSA-N 403.309 5.266 0 40 HKAB O=C(Nc1ccccc1)c1ccc(CSc2nnc3c(n2)[nH]c2ccccc23)cc1 4538336 KYLZZVDATVWJJT-UHFFFAOYSA-N 411.490 5.051 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OC)c2OC)N3)C1 4554610 OCGIEMJCBZQPOQ-RNODOKPDSA-N 414.571 5.735 0 40 HKAB CC(=O)O[C@@H](C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@@H]1C)c1ccccc1 4674108 VVLNDNHZGBIEPT-XYURVEJXSA-N 414.505 5.269 0 40 HKAB CCOc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(C)c(C)c4)c3c2c1 4970165 XMFNDRWTMKIDRP-UHFFFAOYSA-N 407.517 6.565 0 40 HKAB Clc1cccc([C@H]2CC(c3ccccc3)=NN2c2cc(Cl)ccc2Cl)c1 5006772 SNKULULXIDGKOC-HXUWFJFHSA-N 401.724 7.003 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 5015849 KROQENRMQDCFPA-UHFFFAOYSA-N 405.237 5.100 0 40 HKAB Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)no1 5204870 GGNWEFARMOFCPZ-NRFANRHFSA-N 418.424 5.102 0 40 HKAB Cc1cccc(OCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)c1 5214346 QIHCCGQZKPWCJB-UHFFFAOYSA-N 407.322 5.367 0 40 HKAB COc1ccc(C(=O)Oc2cc(-c3cccs3)cc(=O)c3c(C)oc(C)c23)cc1 5451378 YDPNZLSEVFZLMC-UHFFFAOYSA-N 406.459 5.366 0 40 HKAB COc1ccccc1Oc1cncnc1-c1ccc(OCc2ccccc2F)cc1O 5561967 ZHBQHGWVIPGGFV-UHFFFAOYSA-N 418.424 5.368 0 40 HKAB biogenic O=C(Nc1cc(Cl)ccc1Cl)c1ccc(-c2cccc(C(F)(F)F)c2)o1 5610838 UVTGIMTYYUYJIW-UHFFFAOYSA-N 400.183 6.525 0 40 HKAB CC(=O)c1cc(Cl)ccc1OCC(=O)N(Cc1ccccc1)Cc1ccccc1 6549553 VKVZUCRJUZSNBZ-UHFFFAOYSA-N 407.897 5.150 0 40 HKAB Cc1ccc2nc(SCC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)[nH]c2c1 6566834 XDRIWAKGXCNRQY-UHFFFAOYSA-N 419.554 5.085 0 40 HKAB S=c1[nH]c2ccccc2n1-c1cc(-c2ccccc2)nn1-c1cccc(Cl)c1 6820925 HCSJCEPTTIMANO-UHFFFAOYSA-N 402.910 6.194 0 40 HKAB COc1cc(CNCc2ccccn2)cc(Cl)c1OCc1ccccc1Cl 7274917 IJRSCSUJZNDQMM-UHFFFAOYSA-N 403.309 5.266 0 40 HKAB S=c1oc2ccccc2n1CN(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 7315876 TWGIFQFVNDZDOC-UHFFFAOYSA-N 412.902 5.289 0 40 HKAB CCOc1cc(C(=O)O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 7604185 VYEBMYAYZAPDAE-UHFFFAOYSA-N 405.712 5.156 0 40 HKAB COc1ccc(-c2cc(NC(=O)CCCc3c[nH]c4ccccc34)ccc2OC)cc1 8156803 CQPJAZYHAYCRAG-UHFFFAOYSA-N 414.505 5.814 0 40 HKAB Cc1cccc(C(=O)n2ccc(-c3cccc(OCc4c(F)cccc4Cl)c3)n2)c1 8782111 ASCHBWSJADQVGR-UHFFFAOYSA-N 420.871 5.919 0 40 HKAB COc1ccc(OC)c2c1[C@@H](c1cccc(NC(=O)C3CC3)c1)O[C@@H]1CCCC[C@H]21 8816562 CUDMNXSXYJGJGV-XLNZFTOWSA-N 407.510 5.198 0 40 HKAB C[C@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)c1cccc(Cl)c1 8965951 MBEHDXNDXNRHAN-JTQLQIEISA-N 423.719 5.516 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CN1c1ccc(F)cc1 9191632 NDJIVMOJZJTTSK-KRWDZBQOSA-N 419.887 5.398 0 40 HKAB CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc(C(C)(C)C)cc1 9304413 FVNMDFPTJQJOBG-UHFFFAOYSA-N 404.554 5.577 0 40 HKAB COc1ccc([C@H]2CC(=O)c3cnc(Nc4ccc(Cl)cc4Cl)nc3C2)cc1 9359118 OOEFJIXKYLDQFV-CYBMUJFWSA-N 414.292 5.448 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1ccccc1SCc1ccc(Cl)cc1 9426680 HPZHKUATDYTAPO-UHFFFAOYSA-N 418.345 6.547 0 40 HKAB O=C(Nc1ccccc1)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 9607529 CLVYGPQIWLTIND-IBGZPJMESA-N 404.857 5.301 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2cc(C)cc(C)c2)sc2c1CCCC2 11637222 LZSWBQPKQNCGRF-GOSISDBHSA-N 415.555 5.217 0 40 HKAB CCOc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(Cl)cc2)OC3=O)cc1 11689828 LJQIIBDWLODZHI-QFIPXVFZSA-N 421.880 5.445 0 40 HKAB CC[C@H](OC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1 12487887 OUCHTJXNEIVYII-NRFANRHFSA-N 421.880 5.145 0 40 HKAB CCCCC(=O)Nc1ccc(S[C@H]2CC(=O)N(c3c(C)cccc3CC)C2=O)cc1 13578941 YBTWZGTUILLCNZ-FQEVSTJZSA-N 424.566 5.110 0 40 HKAB Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1Cl 14069715 ADNZYJWOOKRWLM-UHFFFAOYSA-N 419.164 6.388 0 40 HKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2C)c1 14154835 ZBJFWYBXNIZXSP-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3c2[C@H](c2ccc(C(F)(F)F)cc2)CC(=O)N3)C1 15106886 CKEPWPSNVBJLET-ZBFHGGJFSA-N 407.501 6.392 0 40 HKAB C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 15134478 GEDYDMDWVRNOIZ-YHBROIRLSA-N 412.618 5.576 0 40 HKAB O=C(Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1cccc(Cl)c1 15913913 AKRGLYJPIWIKCV-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB O=C(Nc1ccc(CSc2ncn[nH]2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 20611340 GSKAQACFNISAIQ-UHFFFAOYSA-N 410.886 5.263 0 40 HKAB Cc1ccccc1Cn1c(=N)n(CC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 20841723 HQURADBGCHNJFE-UHFFFAOYSA-N 424.331 5.469 0 40 HKAB CCC(=O)Nc1nc2ccc(NC(=O)COc3ccc([C@H](C)CC)cc3)cc2s1 21595625 CWIOPQNCJSPZHQ-CQSZACIVSA-N 411.527 5.176 0 40 HKAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1c(C)cccc1C 21787440 BCSBBVZGRQKGBJ-HSZRJFAPSA-N 405.542 5.196 0 40 HKAB CC(=O)N[C@H](C)c1ccc(C(=O)CSc2nc(C)c(C)n2C2CCCCC2)cc1 26107833 OXIMZQLDBFJHDR-MRXNPFEDSA-N 413.587 5.177 0 40 HKAB COC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccc(-c2ccccc2)cc1 28540225 ULVWDOGMBHPFSU-UHFFFAOYSA-N 419.527 6.183 0 40 HKAB Cc1ccc([C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 30854168 NISLETPFDBHVKD-LJAQVGFWSA-N 405.541 6.423 0 40 HKAB COc1cccc(Cn2nc(C)c(NC(=O)Nc3ccccc3C(F)(F)F)c2C)c1 32610114 VJIKZZPWZZVBJQ-UHFFFAOYSA-N 418.419 5.220 0 40 HKAB O=C(COc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1)Nc1ccccc1 33324939 GWGIODZMQVOAMR-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB CC[C@@H](C)[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)n1ccnc1 34856751 XGBOXQUTPFMYLI-GJZUVCINSA-N 423.560 5.520 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CCC[C@]4(C)[C@@H]3CC[C@@]21C 36371736 LPKKNVGOWXICRV-RQIQMKAISA-N 402.707 7.859 0 40 HKAB O=C(NCCSc1ccccc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38836549 VVWVPXUCDSRTIA-UHFFFAOYSA-N 423.409 5.114 0 40 HKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 44948308 ZHBKHIAQLYLJLX-QFIPXVFZSA-N 409.913 6.545 0 40 HKAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 59186132 YQXCRNYFYURKLB-ZROIWOOFSA-N 424.205 6.765 0 40 HKAB Cc1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H](c3ccccc3)C=C[C@H]2c2ccccc2)c1 59386313 DKOXAZTZHHSMGP-LIONHTAISA-N 411.501 5.388 0 40 HKAB Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2-c2ccc(N(C)C)cc2)c1 67259056 GRWXSMYAFNKENI-UHFFFAOYSA-N 415.562 5.361 0 40 HKAB COc1ccc(C(C)=O)cc1NC(=O)/C=C/c1cc2cc(Br)ccc2o1 67340057 MHCKRNLTWHFFRX-VMPITWQZSA-N 414.255 5.058 0 40 HKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC=CC(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 71775108 IZPGPXVZTJYAGW-JNMDXBJLSA-N 408.714 8.974 0 40 HKAB CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CN(C(=O)OCc3ccccc3)c3ccccc32)C1 91302600 IOSWBGQPCIQBBW-FPOVZHCZSA-N 422.525 5.184 0 40 HKAB C[S@](=O)C[C@H](NCc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 96003648 QPJSOFYMMQJRNK-NEKDWFFYSA-N 413.970 5.128 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1Cc1ccccc1 100081604 OQVMVLUBYGJINS-YWUUFRFPSA-N 417.508 5.106 0 40 HKAB CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118925747 RTLUSWHIKFIQFU-RJFPRWCZSA-N 412.702 8.089 0 40 HKAB CN(CCCNC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccccc1 219847677 HRCPEHODPLBTQZ-UHFFFAOYSA-N 408.929 5.175 0 40 HKAB Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1 222914791 GYHVNLGZMJVPFO-FCHUYYIVSA-N 423.607 5.763 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc2)cc1 223458792 CWZSRGHSMXQOOC-UHFFFAOYSA-N 424.569 6.525 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1COc1ccc(C)cc1 224469521 QXNBDEBBMYWFRG-UHFFFAOYSA-N 419.477 5.012 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccccc2C)cc1 224586490 ZVZYZEUCZWYOIN-CEZZIEKDSA-N 404.535 5.013 0 40 HKAB FC(F)(F)c1ccc(NC(=S)NCCSCc2ccccc2Cl)cc1 225296491 PFUYDGUZPZZFES-UHFFFAOYSA-N 404.910 5.579 0 40 HKAB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)NC1CCCCCCC1 225340834 AUZURCRCHSFSQP-UHFFFAOYSA-N 405.567 5.644 0 40 HKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccccc2)o1 408571766 FNKRYQJFTFYFJR-ZQHZRZASSA-N 404.535 5.987 0 40 HKAB O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccc2c(Cl)cccc12 408624497 XGSDDPWBNRVTKG-UHFFFAOYSA-N 401.293 5.236 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccccc1 408626789 IFORHNFMMOQKDK-UHFFFAOYSA-N 403.532 5.399 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1 408627715 NFFBYDXBMYPQIT-UHFFFAOYSA-N 401.466 5.629 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4)C3)cc2)c1 408637798 ADIJAUGZLYGIED-LJQANCHMSA-N 400.478 5.087 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccccc2)cc1 408694647 LHFTVRKIRUTDCL-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2cccc(Cl)c2)c1 408698269 OMYXYPCWLHTMNQ-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S2)cc1 408781268 BCKWTSDAIZXUSU-FOOJEKODSA-N 402.519 5.641 0 40 HKAB Cc1cccc(-n2c(SCC(=O)N3[C@H](C)CCC[C@H]3C)nnc2-c2ccccc2)c1 409093833 APSAKCVBIDVWHU-RTBURBONSA-N 420.582 5.124 0 40 HKAB CC(C)N1C(=O)S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C1=O 409137080 ZXFSETCHJQZPCT-STZFKDTASA-N 406.507 5.165 0 40 HKAB Cc1cc(Br)cc(C)c1NC(=O)CSc1ccc2ccccc2c1 409181269 ANJXETIVQLLVGU-UHFFFAOYSA-N 400.341 5.950 0 40 HKAB COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1 409375075 FFVCDJBDYDUNGN-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(Cl)cc2F)C1 585262253 ZYCJRDKKOFCJMR-VWPQPMDRSA-N 423.887 5.122 0 40 HKAB O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1C(=O)c1ccc(Cl)cc1 670416567 POVKZPVFPASLRB-VGOFMYFVSA-N 412.681 5.524 0 40 HKAB c1ccc(-c2cccc(Nc3ccc4c(c3)c3ccccc3n4-c3ccccc3)c2)cc1 2362797704 KEPXNYPMYRMHEZ-UHFFFAOYSA-N 410.520 8.194 0 40 HKAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)c1ccc2c(c1)OCCO2 710388 XCNKXGJNADUDOC-UHFFFAOYSA-N 420.515 5.105 0 40 HKAB CCc1ccc(Oc2coc3cc(O[C@H](C)C(=O)OCC(C)C)ccc3c2=O)cc1 950725 BVUVEJSEALZXBV-MRXNPFEDSA-N 410.466 5.114 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2cc(Br)ccc12 978421 MTIMVVJNMVEDHS-UHFFFAOYSA-N 404.285 5.093 0 40 HKAB COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c(OC)c1 996197 KJRYWRHOAMDCHQ-UHFFFAOYSA-N 418.880 5.825 0 40 HKAB CCC(=O)Nc1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)cc1 1339941 AHIVUAHQJLBMHL-UHFFFAOYSA-N 419.550 5.111 0 40 HKAB Nc1cc(SCc2ccccc2Cl)nc(SCc2ccccc2Cl)n1 1676872 NJOXADDIDKCCON-UHFFFAOYSA-N 408.379 5.950 0 40 HKAB CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1-n1c(C)ccc1C 1746451 YWCORXWTVVQGFQ-UHFFFAOYSA-N 401.531 6.666 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)c3cc(C)cc(C)c3n2)cc1 2079767 HFMKXDLQYLURTO-UHFFFAOYSA-N 416.908 6.433 0 40 HKAB Cc1ccccc1NC(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O 2260049 DZBDVQYIEFNFOH-UHFFFAOYSA-N 417.896 5.054 0 40 HKAB COc1cccc(-c2nc(Oc3cccc(C(F)(F)F)c3)c3ccccc3n2)c1O 2419360 TVDGIKNGYFEFQM-UHFFFAOYSA-N 412.367 5.822 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2CC)cc1 2452783 FLKMXLCPDKVBDK-INIZCTEOSA-N 424.570 5.218 0 40 HKAB O=C(CNc1cccc2ccccc12)Nc1ncc(Cc2ccccc2Cl)s1 2887505 YGBXYBOJNWFCSI-UHFFFAOYSA-N 407.926 5.591 0 40 HKAB Clc1ccc(-c2csc3nnc(SCc4ccc5c(c4)OCCO5)n23)cc1 2890837 VNFWCMMVFRELRK-UHFFFAOYSA-N 415.927 5.175 0 40 HKAB O=C(c1ccccc1)N(Cc1ccco1)C1(C(=O)Nc2ccccc2)CCCCC1 3222745 BXJKXEWGCXUKQC-UHFFFAOYSA-N 402.494 5.264 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@H](C)CCc3ccccc3)cc12 3262528 OZTNLEVTLVLDOH-OAHLLOKOSA-N 423.969 5.800 0 40 HKAB O=C(OCc1ccc(Br)cc1)/C(=C/c1ccc(F)cc1)c1cccs1 4486561 GPPZNDQFIZYEII-LDADJPATSA-N 417.299 5.934 0 40 HKAB Cc1ccccc1Oc1ccc(N2C(=O)c3ccc(C(=O)OC(C)C)cc3C2=O)cc1 4513183 IOWORTPWVSTNHR-UHFFFAOYSA-N 415.445 5.153 0 40 HKAB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21 4549478 FTTCNNNEPRMEGB-NDEPHWFRSA-N 421.496 5.156 0 40 HKAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NCCc1ccc(Cl)cc1 4698950 VDTDIBZSIIRBRF-UHFFFAOYSA-N 406.913 5.144 0 40 HKAB CCCCCCOc1ccc(OC[C@H](O)Cn2c(CCC)nc3ccccc32)cc1 4905071 HSWYNUVLJWEBKF-HXUWFJFHSA-N 410.558 5.388 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(OCC(C)C)cc4)c3)oc2c1 4906744 RRMYCVJWQANCNM-UHFFFAOYSA-N 414.505 6.399 0 40 HKAB Cc1cccc(NC(=O)CSc2nc3ccccc3n2CCc2ccccc2)c1C 5361530 OWVRWGGRLGRYKR-UHFFFAOYSA-N 415.562 5.627 0 40 HKAB COc1ccc(CNCC[C@H](CCC(C)C)c2ccc(OC(C)C)cc2)cc1OC 5477642 DMCQEBYHMSYASW-QHCPKHFHSA-N 413.602 6.191 0 40 HKAB CN(C)c1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(F)cc32)cc1 6075410 IMXWHQBPCQNVDM-UHFFFAOYSA-N 414.528 5.623 0 40 HKAB Cc1cc(C)cc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 6236005 GBGHZHUMZHMPSA-UHFFFAOYSA-N 409.363 5.952 0 40 HKAB Cc1cc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nc2ccccc12 6330623 QQWQAWISCBJLFZ-UHFFFAOYSA-N 406.576 6.046 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)c(C)c1 6714712 GWMJPNINPOZEEP-UHFFFAOYSA-N 401.963 5.074 0 40 HKAB C[C@H](NC(=S)NC(=O)c1cccc(Cl)c1Cl)C12CC3CC(CC(C3)C1)C2 6779961 FKQYWNXLBCILFG-ABROSTTOSA-N 411.398 5.203 0 40 HKAB CCCCN1C(=O)c2cccc3c(NC(=O)CSc4ccc(C)cc4)ccc1c23 7511136 FMEOFEJDTWZSLM-UHFFFAOYSA-N 404.535 5.639 0 40 HKAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccc2c(c1)CCC2 7790899 NTALJIYLUPZYKN-UHFFFAOYSA-N 414.534 5.225 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 8073435 AUQMYCJQXMYCIA-UHFFFAOYSA-N 408.542 5.064 0 40 HKAB Fc1ccc(-c2csc3ncnc(Sc4nnc(NC5CC5)s4)c23)cc1 8192369 FKHNQUIXTUVANR-UHFFFAOYSA-N 401.517 5.074 0 40 HKAB COc1cccc(CNC2C3CC4CC(C3)CC2C4)c1OCc1ccccc1Cl 8495559 ASPWUMUYGHJOBF-UHFFFAOYSA-N 411.973 5.842 0 40 HKAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 9198992 CXXXSDGOUFWJOJ-UHFFFAOYSA-N 408.310 5.006 0 40 HKAB C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1ccc2ccccc2c1 9254415 VBDBXOOJKKNWLQ-CQSZACIVSA-N 423.588 5.936 0 40 HKAB Cc1nc2c(ccc3nc(NC(=O)c4ccc(Oc5ccccc5)cc4)sc32)s1 9404222 LAZXAVORDTXJBY-UHFFFAOYSA-N 417.515 6.259 0 40 HKAB CCCOc1ccccc1C(=O)Nc1cc(-c2ccc(Br)cc2)no1 11915239 YVQSGCPNNIVJRG-UHFFFAOYSA-N 401.260 5.145 0 40 HKAB CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 12194839 YRTQDPXEEUNDKX-NFBKMPQASA-N 408.885 5.882 0 40 HKAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 12342312 GCZWQGMXPVCJGH-UHFFFAOYSA-N 422.531 5.009 0 40 HKAB CCn1c2ccccc2c2cc(CN(C)C(=O)c3ccccc3[S@](=O)CC)ccc21 12609562 JFTXSOXNLMMWAW-PMERELPUSA-N 418.562 5.214 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)cc2CNCCc2c[nH]c3ccccc23)cc1 12682684 LJZXAPORQBWLIQ-UHFFFAOYSA-N 406.533 5.661 0 40 HKAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 13168154 NYILIIKKSHGEMK-UHFFFAOYSA-N 410.640 5.857 0 40 HKAB C[C@H]1C[C@@H](C)CN(c2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn23)C1 13562712 CKMJQVOTLMVOEC-HDICACEKSA-N 400.501 5.685 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2c2ccccc2)cc1 13942362 LNZFURHNVQCHIZ-MUUNZHRXSA-N 414.508 6.893 0 40 HKAB C[C@H](OC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)Nc1ccc(F)cc1F 15826357 NYBQWFOKZNEKTQ-ZETCQYMHSA-N 408.615 5.109 0 40 HKAB O=C(Nc1cccc(Cl)c1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 16524885 OPOLJESQDHJFBC-UHFFFAOYSA-N 420.843 7.194 0 40 HKAB CCOc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)cc1 16691529 XYAWSTKEGSRRIZ-UHFFFAOYSA-N 422.488 5.533 0 40 HKAB COc1ccc(-c2csc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 17093473 JDTSRMSYVJMTTK-NSHDSACASA-N 423.321 5.532 0 40 HKAB CC(C)c1cc(C(F)(F)F)c2c([C@H]3CCCN(Cc4cccnc4)C3)noc2n1 19452099 FVEFVCBDSWTJLG-HNNXBMFYSA-N 404.436 5.140 0 40 HKAB Cc1ccc(OCc2nnc(SCc3cccc(Br)c3)o2)cc1C 19928074 UNSRGGXCFZTUIV-UHFFFAOYSA-N 405.317 5.320 0 40 HKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 20151669 RCFBNBOQTAJEIV-UHFFFAOYSA-N 422.550 5.172 0 40 HKAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)Nc1ccccc1C(F)(F)F 20540759 FWLXQGUCMOKWQD-UHFFFAOYSA-N 422.838 5.864 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccccc1 20569558 XVSRRHOOLDXTKR-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB O=c1cc(CSc2nnc(C3CCCCC3)o2)c2ccc(Br)cc2o1 22892457 WKUCLJGDUZWJMD-UHFFFAOYSA-N 421.316 5.279 0 40 HKAB O=C(Nc1ccccc1Br)c1ccc(COc2ccc3ccccc3c2)o1 24003896 XGIRMSXRCLAMNV-UHFFFAOYSA-N 422.278 6.027 0 40 HKAB CCN(C(=O)Cc1csc(-c2ccco2)n1)c1nc2cc(Cl)ccc2s1 24832127 JDGYKSDRINRMPW-UHFFFAOYSA-N 403.916 5.262 0 40 HKAB Cc1cc(O[C@H](C)C(=O)NCCc2csc(-c3ccccc3)n2)cc(C)c1Cl 27993467 ULQHWWSTTBEIGM-MRXNPFEDSA-N 414.958 5.207 0 40 HKAB O=C(c1cc(Br)c(Br)s1)N(Cc1ccccc1)C1CC1 31068827 QVQRXQDSFLJGQH-UHFFFAOYSA-N 415.150 5.078 0 40 HKAB c1ccc(SCc2nc(NCc3cc[nH]n3)c3c4c(sc3n2)CCCC4)cc1 32927043 WISZKRQDIPDWOG-UHFFFAOYSA-N 407.568 5.198 0 40 HKAB Cc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1 33325014 UETRADXMVDEFIR-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)c1 38754728 UFWPUYXZEWFILO-HXUWFJFHSA-N 405.563 6.310 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCN(Cc2ccccc2F)CC1 39773469 GRPCVXHQOJBFBZ-UHFFFAOYSA-N 414.830 5.349 0 40 HKAB Cn1c([C@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)nc2ccccc21 40156280 MESDTAVISNJKEC-HXUWFJFHSA-N 402.523 5.064 0 40 HKAB C[C@H]1Cc2ccccc2N1c1nc2nccc(/C=C/c3cccc(Cl)c3)c2c(=O)[nH]1 40388463 VVSICOHGXJXNRM-FEAKQIBJSA-N 414.896 5.225 0 40 HKAB Cc1nc(NC(=O)C[C@@H]2CCCCO2)sc1-c1csc(Nc2ccccc2)n1 40556443 MUIUUYDABPRGCD-HNNXBMFYSA-N 414.556 5.216 0 40 HKAB CN(CCCc1nc2ccccc2[nH]1)C(=O)c1ccccc1SCc1cscn1 48339831 ADLUFISTNVFQJQ-UHFFFAOYSA-N 422.579 5.017 0 40 HKAB CCOC(=O)c1cccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccccc23)c1 48987307 NSRKEAIXUNWXMH-UHFFFAOYSA-N 417.509 5.027 0 40 HKAB O=c1c2ccccc2nc(SCc2ccccc2C(F)(F)F)n1Cc1ccco1 67259619 HYRODMQULCUHOY-UHFFFAOYSA-N 416.424 5.349 0 40 HKAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4ccccc4Cl)c(C)c3s2)n1 72228597 SWLFHAMLEKNEPW-UHFFFAOYSA-N 410.930 5.621 0 40 HKAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCCN1C(=O)OCc1ccccc1 85382194 CERUOKKWIFCEEH-QHCPKHFHSA-N 400.478 5.093 0 40 HKAB CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1OC(F)(F)F 95611621 HENPOTWGRDPWQZ-MRXNPFEDSA-N 417.811 5.667 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccco1 100423709 SQOUZFIVLCUXOJ-SFTDATJTSA-N 401.510 5.264 0 40 HKAB CCOC(=O)c1ccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 100845850 WQXKZMBOQPIELY-LNXYEHLSSA-N 417.549 5.648 0 40 HKAB COc1ccc(C)cc1NC(=O)Nc1c(NC2CCCCC2)c2ccccc2oc1=O 101094822 DIYTWJYCDQTQDK-UHFFFAOYSA-N 421.497 5.499 0 40 HKAB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2)Nc1ccccc1 101683585 XDGPODBQLYUHRA-ICFOKQHNSA-N 424.456 5.110 0 40 HKAB CC(C)CCC[C@H](C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 118914805 LDPPQIQFKNQQLH-WOUSRVCJSA-N 416.646 6.453 0 40 HKAB O=C(c1ccc(C(F)(F)F)nc1)N1CCS[C@H](c2ccccc2Cl)CC1 206997871 RMRRDIUVSXGXSY-HNNXBMFYSA-N 400.853 5.074 0 40 HKAB O=C(NCCSCc1ccco1)c1cccc(OCc2ccccc2Cl)c1 219838268 AHANLASZPBAKPW-UHFFFAOYSA-N 401.915 5.175 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccccc1C 222834629 HBYYZLBSJSSKIF-NCJDQSJGSA-N 404.535 5.095 0 40 HKAB COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccccc1Cl 224140391 KBPXFWFQOHXIEJ-UHFFFAOYSA-N 401.934 5.770 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1CSc1ccc(Cl)cc1 224347729 JSRWYQFULLBFTG-UHFFFAOYSA-N 418.345 6.547 0 40 HKAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccc(Cl)cc1 224500038 WPYQEESACFQNGA-UHFFFAOYSA-N 417.839 5.848 0 40 HKAB CCOc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1Cl 224798635 NZIYLHKYWLOMEK-UHFFFAOYSA-N 418.773 5.709 0 40 HKAB CCCO[C@@]1(C(=O)Nc2cc(C)c(OCc3ccccc3)c(C)c2)CCC[C@@H](C)C1 225666811 CCOOSVYCBRWNNG-BCHFMIIMSA-N 409.570 6.196 0 40 HKAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(Br)cc1F)CC(C)(C)O2 225674783 WCLRPUGPFCFRSV-MRXNPFEDSA-N 423.351 5.485 0 40 HKAB Cc1cc(NC(=O)COc2c(C)cc(Cl)cc2Cl)cc(Br)c1O 226243309 LYXUPAHTBGUKLZ-UHFFFAOYSA-N 419.102 5.096 0 40 HKAB O=C(c1ccc(-c2ccccc2)cc1)N1c2ccccc2Sc2ccc(Cl)cc21 226363015 CDYDHNGBGWXZIL-UHFFFAOYSA-N 413.929 7.450 0 40 HKAB COC(=O)c1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 247835263 MARHLLSOLNFFJL-ZESOOZHZSA-N 412.327 5.532 0 40 HKAB Nc1c(C(=O)Nc2cccc(F)c2)sc2nc(C(F)(F)F)c3c(c12)CCCC3 257173032 AWDFYZIOPWYLKR-UHFFFAOYSA-N 409.408 5.168 0 40 HKAB CCCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccc(F)cc2)n(CC(C)C)n1 257330129 XMZHDTRNGHISKQ-UHFFFAOYSA-N 410.489 5.889 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccc(Cl)cc2)cc1 408694012 HCORVGSAFZOAHG-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2cccc(Cl)c2)cc1 408698623 OSOVUATZVDNBPL-UHFFFAOYSA-N 418.884 5.239 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccccc2)c1 408699921 XFYFAYHOCVLUQE-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CCCc1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1-c1ccccc1 408829927 XTHGUDJXFDCEKE-UHFFFAOYSA-N 412.558 6.533 0 40 HKAB O=C1OC(c2sc3cc(Cl)cc(Cl)c3c2Cl)=N/C1=C\c1cccs1 408969595 QMOBFAXYAOQVOA-POHAHGRESA-N 414.722 6.268 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 409000056 DNMAEWFZOZCGIX-QFIPXVFZSA-N 422.912 5.125 0 40 HKAB Cc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(C)n1C1CCCC1 409123452 BXKJGHWKVLJSBK-UNOMPAQXSA-N 400.931 6.114 0 40 HKAB O=C(COc1ccc(C(=S)N2CCCCC2)cc1)Nc1ccc(Cl)c(Cl)c1 409221762 VCUJOZMAWDBMOQ-UHFFFAOYSA-N 423.365 5.172 0 40 HKAB Cc1ccc(CCc2nc(N3CCC[C@@H]3c3ccc(Cl)cc3)ncc2C(=O)O)cc1 585266603 JDFNBQGASZPTKW-JOCHJYFZSA-N 421.928 5.263 0 40 HKAB Nc1cc(Br)cc(Cl)c1Oc1c(F)cc(C(F)(F)F)cc1F 1504250501 WPEIUCMGADEDOR-UHFFFAOYSA-N 402.544 5.774 0 40 HKAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3c2ncc(C(F)(F)F)cc2Cl)nn1 1888853466 GHLGCLRLDPUNMS-PBWFPOADSA-N 413.875 5.015 0 40 HKAB O=C(CSc1nnc(Nc2ccccc2)n1-c1ccccc1)c1ccc(F)cc1 1102710 YDHOWUWBODKCPW-UHFFFAOYSA-N 404.470 5.125 0 40 HKAB O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3ccccc3s2)CC1 1327255 RPYNHANDIZJQBB-UHFFFAOYSA-N 408.548 5.018 0 40 HKAB CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)/C=C/c1ccco1 1465662 SGPMELYIMLLASY-VAWYXSNFSA-N 409.507 5.960 0 40 HKAB CCCOc1ccc(-c2csc3ncn(Cc4ccc(Cl)cc4)c(=O)c23)cc1 1911975 SWYRHIIIMZLJAX-UHFFFAOYSA-N 410.926 5.616 0 40 HKAB CCCCCCSc1nnc2c(n1)O[C@H]([C@@H]1CC=C(C)CC1)Nc1ccccc1-2 2073885 ZNAMFBGPSXMBEN-DYESRHJHSA-N 410.587 6.088 0 40 HKAB CCOc1ccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1 2081265 NUIQIIORSLAVDO-UHFFFAOYSA-N 402.881 6.206 0 40 HKAB CCCOC(=O)c1c(NC(=O)c2ccc(OCC)cc2)sc2c1CC[C@H](C)C2 2087448 LMZFLIAIXPAXJY-AWEZNQCLSA-N 401.528 5.091 0 40 HKAB Cc1ccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2ccccc2)cc1C 2364439 YNYPQLKYDMBMPU-UHFFFAOYSA-N 403.323 6.790 0 40 HKAB Cc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2cccs2)N2N=CNC2=N3)cc1 2707282 JVNOFTQUGNLNEH-XZOQPEGZSA-N 412.518 5.169 0 40 HKAB CCc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccc(Cl)cc3)s2)cc1 2725866 DSEKBWSUQBFBQO-GFCCVEGCSA-N 418.975 5.617 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CCc1ccc(OC)cc1 2766943 BCVYIRBWWJFWIO-UHFFFAOYSA-N 423.534 5.480 0 40 HKAB O=c1oc2ccc(Cl)cc2cc1-c1nnc(Nc2ccc(Cl)cc2Cl)s1 3176061 BOHHRLSIRYDAAE-UHFFFAOYSA-N 424.696 6.015 0 40 HKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc12 3216785 QLOZOOIUEZDAGC-UHFFFAOYSA-N 402.306 5.955 0 40 HKAB CCOc1ccc2nc(SCc3cc(Cl)ccc3OC(F)F)sc2c1 3233823 VFAUJXZGYVALJJ-UHFFFAOYSA-N 401.887 6.242 0 40 HKAB Cc1ccc(F)cc1NC(=O)c1ccccc1SCC(=O)NCC1CCCCC1 3421939 JOCILKHQMPLDBE-UHFFFAOYSA-N 414.546 5.175 0 40 HKAB CSc1ncccc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 3431103 MBGIGFGATOFGLE-UHFFFAOYSA-N 403.532 5.846 0 40 HKAB CCC(=O)N(CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)[C@@H](C)c1ccccc1 4027875 AKAMYEOOALBFQV-GPUOULLFSA-N 407.598 6.365 0 40 HKAB O=C(Cc1cccc2ccccc12)Nc1nnc(SCc2cccc(F)c2)s1 4078343 FDKKGEPWAFPMOX-UHFFFAOYSA-N 409.511 5.304 0 40 HKAB Cc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)c(C)c3)cnc3ccccc23)cc1 4315712 LSFFVQCMKWZRDJ-UHFFFAOYSA-N 415.514 5.224 0 40 HKAB COc1ccc(COc2ccc3c(=O)c(-c4ccc(Cl)cc4)c(C)oc3c2)cc1 5164484 HDZQMXRUMGXYLG-UHFFFAOYSA-N 406.865 6.009 0 40 HKAB biogenic CC(C)c1ccc(Cn2c(CCCNC(=O)c3ccco3)nc3ccccc32)cc1 5235815 UHBSNROXSDYCKY-UHFFFAOYSA-N 401.510 5.164 0 40 HKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 5552411 ZROGDKRTHJPHOV-UYRXBGFRSA-N 401.915 5.755 0 40 HKAB Cc1cc(SCC(=O)Nc2ccc(C)c(C)c2)n2ncc(-c3ccccc3)c2n1 5561626 BHOFPNIIHVSZIS-UHFFFAOYSA-N 402.523 5.052 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1sc2ccccc2c1Cl 5676912 DFNSITKSPHEKCV-IIAWOOMASA-N 408.947 5.716 0 40 HKAB Cn1nc(C(F)(F)F)c2cc(CSc3ccc(Br)cc3)sc21 5943379 LORNJXQWYRJLMX-UHFFFAOYSA-N 407.280 5.708 0 40 HKAB Cc1ccc(-n2c(SCC(=O)c3c(C)[nH]c4ccccc34)nc3ccccc32)cc1 6315202 NMXVKWLBFPYINP-UHFFFAOYSA-N 411.530 6.099 0 40 HKAB O=c1c2ccccc2nc(SCc2cccc(C(F)(F)F)c2)n1-c1ccccc1 6476074 MTXIQYCEEWDIMH-UHFFFAOYSA-N 412.436 5.697 0 40 HKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(C)cc2Cl)cc1 6630404 VNXMZTSWKJSJHE-UHFFFAOYSA-N 408.885 5.067 0 40 HKAB CC(C)c1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 6752790 KLDHESRWJABTGG-XMMPIXPASA-N 413.477 5.244 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 6920388 OTVRYZXVVMZHHW-SHYRXIFHSA-N 405.110 8.635 0 40 HKAB biogenic COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 7375693 SRWARVCEBANXCS-AWNIVKPZSA-N 410.311 5.761 0 40 HKAB CCCCOc1ccc2ccccc2c1/C=C(\Sc1nc2ccccc2o1)C(=O)O 7603081 SVSPVZORRYRGMC-JCMHNJIXSA-N 419.502 6.378 0 40 HKAB COc1cc(C(=S)N2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl 7782017 UPRZGSQJHMVDAH-UHFFFAOYSA-N 410.366 5.742 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)cc1C 7882319 UQKRFGYSUSYXOK-GOSISDBHSA-N 418.468 5.226 0 40 HKAB CCOc1cc(CNCc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 8254546 BQQJUONGOHBDAJ-UHFFFAOYSA-N 416.348 6.261 0 40 HKAB C[C@H](NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Cl)cc1 8769236 UJGIMBMTZHYBBE-HNNXBMFYSA-N 403.869 5.548 0 40 HKAB O=C(Sc1nc2ccccc2s1)c1cccnc1SCCC(F)=C(F)F 8873085 VNMZHUZMEHGSEE-UHFFFAOYSA-N 412.483 6.184 0 40 HKAB CC1(C)N=C(SCC(=O)Nc2ccc(F)cc2)C(c2ccc(Cl)c(Cl)c2)=N1 9599273 JNRLIIKNGUINTP-UHFFFAOYSA-N 424.328 5.442 0 40 HKAB Fc1cccc(-c2nnn3c2nc(NCCC2=CCCCC2)c2cc(Cl)ccc23)c1 9858871 BSQJVRSIQSJVEQ-UHFFFAOYSA-N 421.907 6.039 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1OC 10324248 XPXABYMTJFQHHS-UHFFFAOYSA-N 417.505 5.485 0 40 HKAB CCOc1ccc(Cl)cc1NC(=O)c1ccc(OCCOc2ccccc2)cc1 12137917 DTRFOGPQDARZJF-UHFFFAOYSA-N 411.885 5.449 0 40 HKAB Cc1ccc(C)c(OCCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)c1 12539284 HOYPDZHGHBUWTN-UHFFFAOYSA-N 417.509 5.035 0 40 HKAB COc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1Cl 12681723 GQWLKKJMVXTZGF-UHFFFAOYSA-N 423.925 5.574 0 40 HKAB C[C@H](SC1=Nc2ccccc2[C@@H]2CC=NN12)C(=O)Nc1cc(Cl)ccc1Cl 12762829 BFQFUNAPBYAGBK-GTNSWQLSSA-N 419.337 5.488 0 40 HKAB CC[C@H](NC(=O)c1sc(NC(=O)C2CC2)cc1C)c1ccc(Br)cc1 12782822 ZMJWMMOESVXAAO-HNNXBMFYSA-N 421.360 5.049 0 40 HKAB CCOC(=O)c1sc2cccc(F)c2c1CSc1nnc(C2CCCCC2)o1 12983093 RQJFFNCLBUXNOP-UHFFFAOYSA-N 420.531 5.940 0 40 HKAB CCOC(=O)c1sc(/C=C/c2ccc(OC(F)(F)F)cc2)nc1-c1ccccc1 12985911 ZQZLZPRMEUBXCZ-JLHYYAGUSA-N 419.424 6.056 0 40 HKAB CCc1nnc(NC(=O)c2oc3ccccc3c2CSc2nc(C)cs2)s1 13120627 SLIWGFQUPOGOHH-UHFFFAOYSA-N 416.553 5.156 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(N2CCOCC2)cc1 14397290 YMSTZIPATIKWQE-UHFFFAOYSA-N 408.885 5.221 0 40 HKAB COc1ccc(OC)c([C@H]2CCCN2Cc2cc3ccc(OC)cc3nc2Cl)c1 14672881 PUHDXFXVFFVIDC-OAQYLSRUSA-N 412.917 5.251 0 40 HKAB Cc1ccc(COc2ccc(Br)cc2/C=C2\SC(=S)N=C2O)cc1 15055780 PWUOHNOVLXEVPF-SXGWCWSVSA-N 420.353 5.666 0 40 HKAB CN(C(=O)COc1ccccc1Cl)[C@@H](c1cccs1)c1c[nH]c2ccccc12 15835577 VGCDMMYMMHJBHM-JOCHJYFZSA-N 410.926 5.510 0 40 HKAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(Br)c(C)c2)s1 15840223 XGDHHGFEWSYSCE-UHFFFAOYSA-N 407.358 5.432 0 40 HKAB Cc1cccc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)c1C 17083127 DHKSQCSSFZMVAF-UHFFFAOYSA-N 405.277 5.992 0 40 HKAB COc1ccccc1Cc1cc(C)nc(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)c1 19691876 ZCIZDAWAIMIVCZ-FQEVSTJZSA-N 404.554 5.052 0 40 HKAB COc1cc(CNC2CCCC2)cc(Br)c1OCc1ccccc1Cl 20228396 JKTBHRNHVWNELK-UHFFFAOYSA-N 424.766 5.722 0 40 HKAB OC(CNCc1ccc(Cl)c(Cl)c1)(c1ccc(F)cc1)c1ccc(F)cc1 20365930 GPVBSYHHRZBBEA-UHFFFAOYSA-N 408.275 5.297 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3ccc(OC)cc3)ccc21 20489042 IMDIFHGBJWORQU-MRXNPFEDSA-N 404.535 5.942 0 40 HKAB COc1ccccc1-n1c(C)c(C)c2c1ncn1nc(-c3ccc(Cl)cc3)nc21 21801227 QDRBHVWQGPQYDR-UHFFFAOYSA-N 403.873 5.014 0 40 HKAB COc1ccccc1Nc1nnc(Sc2ncnc3c2oc2ccccc23)s1 24067693 WKHIHBYTFUMGKI-UHFFFAOYSA-N 407.480 5.131 0 40 HKAB FC(F)(F)Oc1ccc(-n2c(-c3ccc(Cl)c(Cl)c3)c[nH]c2=S)cc1 26424397 GJZYKERTOQRETD-UHFFFAOYSA-N 405.228 6.407 0 40 HKAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)C1(C)C 27987514 GMRLDCPCEVWYMQ-ICSRJNTNSA-N 402.494 5.862 0 40 HKAB C[C@H](Oc1ccccc1F)C(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 32623006 YLROHSDDTURXRR-AWEZNQCLSA-N 421.403 5.088 0 40 HKAB COc1c(Br)cc(Br)cc1CNc1ccc(F)c(Cl)c1 35018418 XEQDUXWDFKESKG-UHFFFAOYSA-N 423.507 5.625 0 40 HKAB Cc1ccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1Cl 38849671 XCTUMYBZOCTSDB-AWEZNQCLSA-N 411.760 5.806 0 40 HKAB CCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(OCc2ccccc2)c1 39286447 XLRWCRGAMYGBSU-UKILVPOCSA-N 408.626 7.532 0 40 HKAB in-vitro Cc1ccc(SC(=CNC(=O)c2ccc(C)cc2)Sc2ccc(C)cc2)cc1 41154804 UKVBOUFAJXYPMB-UHFFFAOYSA-N 405.588 6.725 0 40 HKAB Clc1ccc(CSc2nccn3nc(-c4cccc5ccccc45)cc23)cc1 45925267 GEILLOMYGFHZIU-UHFFFAOYSA-N 401.922 6.495 0 40 HKAB Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 46012162 KPNGTYAGXHQIKH-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB CCOc1ccc(Nc2cc(C(=O)N3CCCCC3)nc3c(OC)cccc23)cc1 49003004 DGRFWSAHPXCNDD-UHFFFAOYSA-N 405.498 5.012 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(Cl)c1 49005033 PKOHNWKAFQCZPV-GOSISDBHSA-N 408.933 5.740 0 40 HKAB Cc1ccccc1NC(=O)CSC1=Nc2ccccc2N=C(c2ccccn2)C1 49421454 IBZOCSQPJXTMQM-UHFFFAOYSA-N 400.507 5.316 0 40 HKAB O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1occc1-c1ccccc1 49590068 NKBQWOYQPISJIB-HSZRJFAPSA-N 407.473 5.537 0 40 HKAB Cc1ccc(F)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 67294582 GNZSOHATHNJBHP-VYIQYICTSA-N 406.844 6.018 0 40 HKAB Cc1ccccc1[C@H]1N=C(Nc2nc3ccccc3o2)N=C2CC(C)(C)CC(O)=C21 102674941 YBFBTCUQHRNHFD-OAQYLSRUSA-N 400.482 5.732 0 40 HKAB Cc1ccc(-c2cc(-c3ccccc3)c3c(=N)n(-c4ccccc4)c(=S)[nH]c3n2)cc1 103673649 YMSWWEYOWSSSKU-UHFFFAOYSA-N 420.541 6.205 0 40 HKAB Cc1ccc(COc2ccc3ccccc3c2CNc2ccc(C)c(Cl)c2)cc1 106975167 WMLYILWVNSXUSC-UHFFFAOYSA-N 401.937 7.301 0 40 HKAB CCCC(=O)n1nc(NCc2ccc(Cl)cc2)nc1NCc1ccc(Cl)cc1 199405356 ADXNBXDJUAGAHX-UHFFFAOYSA-N 418.328 5.249 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc(Cl)cc1Cl 222728194 SJBKMDISVBVUFG-GOSISDBHSA-N 424.393 5.954 0 40 HKAB COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1cc(C)cc(C)c1C 224283880 ZXESIBDOKPTUQF-UHFFFAOYSA-N 409.570 6.042 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1COc1ccccc1C 224374825 NGLWXFGESJVWEV-UHFFFAOYSA-N 421.493 5.242 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1 224609938 PVYSQSWREXBLBP-OSVNEOKWSA-N 404.535 5.013 0 40 HKAB CCCCOCc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1OCC 224729801 IVCAEMGFNKIMSE-UHFFFAOYSA-N 409.570 5.497 0 40 HKAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C 224896084 HJYRBYWUHCMCRZ-FGZHOGPDSA-N 408.546 5.144 0 40 HKAB Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCC1 225021962 QVWWEPHHPWPNPZ-DHIUTWEWSA-N 402.567 5.096 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1 225043274 SNSJQDVJVXWEEO-UHFFFAOYSA-N 400.522 6.106 0 40 HKAB O=C(COc1cccc2c1CCCC2)Nc1ccc(Cl)cc1C(=O)c1ccccc1 225208547 WHGVYMDOLOCXLN-UHFFFAOYSA-N 419.908 5.467 0 40 HKAB Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c1 225585462 CWULRRVGRRTNHC-KRWDZBQOSA-N 402.941 5.185 0 40 HKAB S=C(NCCCOC1CCCCC1)Nc1ccc(Br)c(Cl)c1 225617593 WOAJZCXHJAOJKW-UHFFFAOYSA-N 405.789 5.128 0 40 HKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1C 225706482 GLSCCRDPPTWEQQ-LJQANCHMSA-N 406.620 6.643 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C(=O)OCC 225755563 AFKRYFCYOYENSV-UHFFFAOYSA-N 409.526 5.493 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)/C(=C/c1ccccc1)c1ccccc1 408564156 SBMSDJKRVUZNBL-QGOAFFKASA-N 401.815 6.538 0 40 HKAB COc1c(C)cc(Br)cc1C(=O)Nc1nc2c(C)ccc(C)c2s1 408623986 WCRJCNSURQTSIP-UHFFFAOYSA-N 405.317 5.245 0 40 HKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccccc3C)n2)cc1 408694518 JWLCZTNBJVTPHR-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccccc2)c1C 408699294 WABMVDBTTXMIKQ-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccc(Cl)cc2)cc1 408699835 WLRISPQNEUBSOV-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1cccc(CN2C(=O)S/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C2=O)c1 408961093 QYINZFAAUHWMBU-JCMHNJIXSA-N 417.534 5.088 0 40 HKAB CC(C)[C@@H]1CC(CCNCc2ccc(Cl)cc2)(c2ccccc2)C[C@@H](C(C)C)O1 524734954 MWHIXCNXUFWWBG-DQEYMECFSA-N 414.033 6.617 0 40 HKAB O=C(c1cccnc1)N1CCCCCCCNCc2cc(-c3ccccc3F)ccc21 643574522 YYQAJLVVZVVCJL-UHFFFAOYSA-N 417.528 5.588 0 40 HKAB O=C(Oc1ccc2ccc(OC(=O)c3ccc(F)cc3)cc2c1)c1ccc(F)cc1 683093 IYTGFIBSNGEZEB-UHFFFAOYSA-N 404.368 5.556 0 40 HKAB COc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@H]32)cc1OC 723804 SUHTYTUKAFOUQS-KBMIEXCESA-N 401.531 6.234 0 40 HKAB CCOc1ccc2nc(SCC(=O)Nc3ccc(NC(=O)CC)cc3)c(C)cc2c1 933025 MBUNELSQAQZFES-UHFFFAOYSA-N 423.538 5.021 0 40 HKAB Cc1ccc(C(=O)CSc2nnc3c4ccccc4nc(Cc4ccccc4)n23)cc1 1327715 GYARWXIGIWEFFU-UHFFFAOYSA-N 424.529 5.152 0 40 HKAB aggregator c1cc2c3c(ccc2c2c1OCN(C1CCCCC1)C2)OCN(C1CCCCC1)C3 1569508 DSINOQVPRGNAEQ-UHFFFAOYSA-N 406.570 5.809 0 40 HKAB O=C(NC(=S)Nc1cccc(Cl)c1Cl)C(c1ccccc1)c1ccccc1 2052185 YJTNWUOBMUILFW-UHFFFAOYSA-N 415.345 5.639 0 40 HKAB CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)c1cccc(F)c1 2063130 NNGDRKDIRRGUQC-VWLOTQADSA-N 407.916 6.614 0 40 HKAB aggregator CCCCc1ccc(N[C@@H](CC(=O)c2ccc(F)cc2)c2ccc(Cl)cc2)cc1 2067638 YMGJOFPKEOIPSG-DEOSSOPVSA-N 409.932 7.248 0 40 HKAB Cc1c(C)c(C)c(COc2ccc3c(C)c(CCC(=O)O)c(=O)oc3c2C)c(C)c1C 2150252 OMWUHLMVIOJIFN-UHFFFAOYSA-N 422.521 5.548 0 40 HKAB biogenic Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2Cl)cc1 2270646 RZPFLAKJDOOOQO-UHFFFAOYSA-N 424.913 5.136 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1ccc(COc2ccc(Br)cc2)cc1 2754233 VFNNSFDZQBFRLQ-UHFFFAOYSA-N 416.702 5.934 0 40 HKAB Cc1ccc(N(C)C(=S)Oc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1C 3057182 KKAHCGDAELWPQX-UHFFFAOYSA-N 424.953 6.009 0 40 HKAB c1ccc(-c2ccccc2O[C@@H]2OCCO[C@H]2Oc2ccccc2-c2ccccc2)cc1 3172664 YAXDSMYNNBMXKF-NSOVKSMOSA-N 424.496 6.177 0 40 HKAB CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3193871 QOOMFHHVBAZDHF-UHFFFAOYSA-N 414.332 6.337 0 40 HKAB O=C(CSc1ccc(Br)cc1)Nc1ccc(N2CCCCC2)cc1 3233404 SQWSJXNTYSYUHO-UHFFFAOYSA-N 405.361 5.170 0 40 HKAB Cc1cc(C)c(NC(=O)C2CCC(C(=O)Nc3c(C)cc(C)cc3C)CC2)c(C)c1 3278487 DYBGQKWQXKGMJO-UHFFFAOYSA-N 406.570 5.921 0 40 HKAB C[C@@H]1CCc2c(sc3ncnc(OCCOc4ccc(Cl)cc4Cl)c23)C1 3308472 YBKWLVGNRASUMR-LLVKDONJSA-N 409.338 5.581 0 40 HKAB O=C(CSc1nnc(NC2CCCCC2)s1)Nc1cc(Cl)ccc1Cl 3313302 YJAAQZBLXVZKRO-UHFFFAOYSA-N 417.387 5.320 0 40 HKAB COc1ccc([C@@H]2N(c3ccccc3Oc3ccccc3)C(=O)C2(F)F)cc1OC 3366342 OPNORQSYCXUKRL-NRFANRHFSA-N 411.404 5.219 0 40 HKAB COc1ccc2c(CC(=O)Nc3nc(-c4c[nH]c5ccccc45)cs3)coc2c1 3418016 RUBXBWNIKWQQAO-UHFFFAOYSA-N 403.463 5.227 0 40 HKAB Cc1cc(C(=O)COC(=O)Cc2coc3ccc4ccccc4c23)c(C)n1C1CC1 3427885 ZEQNNTZCGLVQKY-UHFFFAOYSA-N 401.462 5.308 0 40 HKAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)Nc2ccccc2F)cc1 3448854 KKFKZTYABBRFHY-UHFFFAOYSA-N 402.494 6.106 0 40 HKAB FC(F)(F)c1ccccc1NCn1nc(C23CC4CC(CC(C4)C2)C3)oc1=S 4457497 JFJFSAQPZQXKEU-UHFFFAOYSA-N 409.477 5.762 0 40 HKAB CCN(CC)C(=O)N(Cc1cc2cc(C)cc(C)c2nc1Cl)C1CCCCC1 4861278 QJHVNPHSDUNSCD-UHFFFAOYSA-N 401.982 6.102 0 40 HKAB Cc1ccc(C2=NN(C(=O)c3ccc(Br)cc3)[C@@H](c3ccco3)C2)cc1 4871923 SBDIFSNCNUILMO-LJQANCHMSA-N 409.283 5.342 0 40 HKAB C[C@@H](CNC(=O)Nc1cccc2ccccc12)NC(=O)Nc1cccc2ccccc12 5003756 VSGJHIFWJSBQGH-KRWDZBQOSA-N 412.493 5.325 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)CCC[C@]4(C)[C@@H]3CC[C@]12C 5029526 HYEIEAPRJMJEDC-POGVPYQQSA-N 400.691 8.067 0 40 HKAB COc1ccc(C(=O)CCCCCCC(=O)c2ccc(OC)cc2OC)c(OC)c1 5916393 KLEZFHSSXAWLAV-UHFFFAOYSA-N 414.498 5.127 0 40 HKAB O=C(NC1CCCCC1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1 6112705 YUEHPTLSSKODLR-UHFFFAOYSA-N 403.913 6.099 0 40 HKAB biogenic CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1 6273757 JKGYCFOLTYOYLV-UHFFFAOYSA-N 414.505 6.543 0 40 HKAB Cc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 6280223 AVUKBIYBGQTNLE-UHFFFAOYSA-N 419.937 5.871 0 40 HKAB CCCCCC1CCC(c2ccc(C(=O)Oc3ccc(OC(F)F)cc3)cc2)CC1 6471866 IFLBLZYBLQFDLM-UHFFFAOYSA-N 416.508 7.361 0 40 HKAB CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCc1ccccc1Cl 6605981 XNLZBBLTQBMWHY-UHFFFAOYSA-N 406.869 5.221 0 40 HKAB O=c1c2c3c(sc2nc(SCCC(F)(F)F)n1-c1ccccc1)CCCC3 6851697 URHFBJXJHJQVTE-UHFFFAOYSA-N 410.486 5.371 0 40 HKAB CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1C 6876059 KWOXAQKOXNKYMY-UHFFFAOYSA-N 402.523 5.157 0 40 HKAB O=C(CSc1ccc2ccccc2n1)N[C@H](c1ccc(F)cc1)c1cccs1 7200055 MRRFPAHWVGUOSW-JOCHJYFZSA-N 408.523 5.433 0 40 HKAB COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)CCc1ccccc1 7347562 BOHIJGVPVTWZSD-UHFFFAOYSA-N 414.461 5.265 0 40 HKAB CCOc1ccc(-c2nc(NC(=O)CSc3ccc(F)cc3)sc2C)cc1 7511700 YOICKFLAGSBBKW-UHFFFAOYSA-N 402.516 5.387 0 40 HKAB COc1cc(CNCc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 7538120 XKEVVCHIFVSIIA-UHFFFAOYSA-N 416.348 6.179 0 40 HKAB CCc1cccc2c(/C=N/n3c(COc4c(C)cccc4C)n[nH]c3=S)c[nH]c12 7756911 YXNNDQCTRGPWQH-WYMPLXKRSA-N 405.527 5.062 0 40 HKAB Cn1c(SCc2ccccc2F)nc2scc(-c3ccc(F)cc3)c2c1=O 7779610 GIRLEGZHZYFMKG-UHFFFAOYSA-N 400.475 5.233 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3C)c2)cc1 8289454 JQSXAPZTRLPXQD-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1nc2ccc(N(C)C)cc2c(O)c1CN(Cc1ccccc1)Cc1ccccc1 8575167 GRYBDOIYYMEICL-UHFFFAOYSA-N 411.549 5.517 0 40 HKAB COc1c(C)cccc1C(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 8590489 OWRLDHFSMHAYFG-UHFFFAOYSA-N 408.910 6.186 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)CSc4ccccc4)ccc3o2)cc1OC 8903883 UCKSZRVXKSTDIQ-UHFFFAOYSA-N 420.490 5.243 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc(C)c(Cl)c4)nc3c2)c1 9906439 QEVQUNDOJBXROL-UHFFFAOYSA-N 422.868 5.726 0 40 HKAB Cc1c(C(=O)Nc2nonc2-c2ccc(OC(C)C)cc2)oc2ccc(Cl)cc12 11913970 BCDGQMPCVJQMKF-UHFFFAOYSA-N 411.845 5.484 0 40 HKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCCc3ccccc3)CC2=O)c1 12062033 ZBLBAJBEJVWTBK-QFIPXVFZSA-N 409.533 5.498 0 40 HKAB COc1ccc(OC)c(/C=C/C(=O)Oc2c(Cl)cc(Cl)c3ccc(C)nc23)c1 12652385 JIUXSGABOGDXFQ-WEVVVXLNSA-N 418.276 5.486 0 40 HKAB Cc1ccc(OCc2nc(C)c(C(=O)N(C)Cc3cccc(Cl)c3)s2)cc1 12761445 ARSAMQGGZVHCKH-UHFFFAOYSA-N 400.931 5.265 0 40 HKAB CCCCc1noc([C@@H](C)Sc2nc3ccsc3c(=O)n2-c2ccccc2)n1 12971921 AHEGNEAIXCIXQL-CYBMUJFWSA-N 412.540 5.026 0 40 HKAB CSc1ccc(C2=C/C(=C3/N=C(c4cccs4)OC3=O)c3ccccc3O2)cc1 13576792 MOHCBHTYQUKYNG-FXBPSFAMSA-N 417.511 5.618 0 40 HKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 13686711 YZPNZNDBPGUYMZ-IBGZPJMESA-N 400.522 5.376 0 40 HKAB CCOc1ccc2c(c1)-c1c(ss/c1=N\c1cccc3ccccc13)C(C)(C)N2 13756507 DZRYNIUBIUSEAQ-BZZOAKBMSA-N 418.587 6.922 0 40 HKAB S=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 13825569 KKBBQJCRMJGEAQ-UHFFFAOYSA-N 401.362 6.393 0 40 HKAB CC[C@@H](C)C(=O)c1c(O)c(CC=C(C)C)c(O)c2c(-c3ccccc3)cc(=O)oc12 14585998 ZZRRSYITGMMRPP-OAHLLOKOSA-N 406.478 5.609 0 40 HKAB endogenous,in-man CCc1ccc(OCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1 15922090 QVMXXOVSZXNWPX-SFHVURJKSA-N 417.509 5.152 0 40 HKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(F)c(Cl)c2)c1Cl 17088744 PEZSZKRWRRSOCO-UHFFFAOYSA-N 411.087 6.074 0 40 HKAB Cc1ccc2oc(-c3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)nc2c1 17091361 YIRXCMWHWLVUEV-UHFFFAOYSA-N 418.321 5.751 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1 17091784 NPKHTYFSNSKKDY-VQCVXAJWSA-N 419.352 6.033 0 40 HKAB CC(C)(C)CC(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19082646 ZWJSLWNJYBJEIZ-NRFANRHFSA-N 415.541 5.382 0 40 HKAB c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCN3Cc3ccncc3)n2)cc1 19373261 LNXUFXGYOZWGBA-QHCPKHFHSA-N 408.509 5.014 0 40 HKAB COc1ccc(CN2CCC(c3nc(C)c(-c4ccnc(C)n4)s3)CC2)c(C)c1C 19577321 IHXAXFFCSCTLST-UHFFFAOYSA-N 422.598 5.222 0 40 HKAB COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 20145469 GFZHQBKCOMWDFT-JXMROGBWSA-N 411.841 5.267 0 40 HKAB Cc1ccc(CNc2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3ccccc23)cc1 20382438 LPCTYAQGUGVNPQ-UHFFFAOYSA-N 422.937 5.642 0 40 HKAB Cc1ccc([C@H](NC(=O)CSCc2c(F)cccc2Cl)c2ccccc2)cc1 20460513 CCZADYUSOQLKBA-HSZRJFAPSA-N 413.945 5.927 0 40 HKAB C[C@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)C(=O)c1ccc(Cl)cc1 22029094 YAYWGQIBUGBPAP-LBPRGKRZSA-N 422.337 5.064 0 40 HKAB O=C(c1cc(=O)c2ccccc2o1)N(Cc1cccc2ccccc12)c1ccccn1 27794301 FSBYTUQMGAZYIR-UHFFFAOYSA-N 406.441 5.188 0 40 HKAB Cc1ccc(Cn2nc(C)c(NC(=O)c3cccc(Oc4ccccc4)c3)c2C)cc1 27922247 JEBMVDPFWZEFSH-UHFFFAOYSA-N 411.505 5.901 0 40 HKAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)n1 27970392 WCENPTHNLHZQTA-UHFFFAOYSA-N 407.823 5.473 0 40 HKAB O=C(NCc1ccccc1COc1ccccc1)c1ccc(C2SCCS2)cc1 30187032 HGCZJGGDCUQBKX-UHFFFAOYSA-N 421.587 5.674 0 40 HKAB Cc1ccc(-c2nnc([C@@H](C)NC[C@@H](c3ccccc3)c3c[nH]c4ccccc34)o2)cc1 32739729 XYFRCCKMMPMNHM-XXBNENTESA-N 422.532 6.009 0 40 HKAB O=S(=O)(Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1)c1ccc2ccccc2c1 33741418 YGWAGEBGKUWSPM-UHFFFAOYSA-N 417.574 6.180 0 40 HKAB CCOc1ccc2nc(NC(=O)c3ccccc3OCc3ccc(F)cc3)sc2c1 34707254 VTHIKOLKPPKHBD-UHFFFAOYSA-N 422.481 5.665 0 40 HKAB COc1ccc(NC(=O)CSc2ccccc2C)cc1NC(=O)c1cccc(F)c1 36391178 GYWYTGWFMLBZAP-UHFFFAOYSA-N 424.497 5.126 0 40 HKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)cc2)C1 38772085 XSFZKFJRMYONGR-CQSZACIVSA-N 421.766 5.587 0 40 HKAB O=C(Nc1nc(-c2cccc(F)c2)cs1)c1cccnc1SCC(F)(F)F 40050879 QYTPCIZEZSDQTG-UHFFFAOYSA-N 413.421 5.251 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1cccnc1Nc1cc(Cl)ccc1OC 40556520 AYYOASHPLXMDHF-UHFFFAOYSA-N 418.280 5.402 0 40 HKAB COc1cccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2nc3ccccc3s2)c1 49651000 SDYJWEITIBOSNG-QHCPKHFHSA-N 417.534 5.117 0 40 HKAB Cc1c(Br)cc(-c2nc3cc(C(C)C)ccc3o2)cc1Br 57331879 VDNHSEKLRVSOEQ-UHFFFAOYSA-N 409.121 6.452 0 40 HKAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1 67190061 RLDHHHBSXFQLDV-RWEWTDSWSA-N 404.853 5.580 0 40 HKAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2cccc(F)c2)nc1 67295225 NMBHIOMOYMMDLF-ROMGYVFFSA-N 407.832 5.413 0 40 HKAB Cc1nc(-c2ccccc2F)sc1[C@H](C)NC(=O)Nc1cccc(-c2nnco2)c1 72305851 KXZFOQUDDUBZBQ-ZDUSSCGKSA-N 423.473 5.190 0 40 HKAB COc1cccc(-c2c[nH]c([C@@H]3CCCN3Cc3ncc(-c4ccc(F)cc4)o3)n2)c1 79058851 PXVYZYVGQLKUBF-NRFANRHFSA-N 418.472 5.217 0 40 HKAB Cc1nn(Cc2ccccc2)c(Cl)c1C[S@@](=O)Cc1cccc2ccccc12 84014158 XPMKHIWOJLHCRJ-MUUNZHRXSA-N 408.954 5.495 0 40 HKAB OC1=C2C(=Nc3ccccc3S[C@H]2c2ccc(Cl)cc2Cl)c2ccccc21 101424610 XWRMPKFONJFXAD-QFIPXVFZSA-N 410.325 7.244 0 40 HKAB COc1ccc(/C=C(/C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c2ccccc2)cc1 222906971 CHBPDCVIIDMAMO-FGAYPWGZSA-N 411.545 5.992 0 40 HKAB COc1cc(NC(=O)CSCc2ccc(Cl)cc2F)c(OC)cc1Cl 223362521 CPJKTHCWRLMBQC-UHFFFAOYSA-N 404.290 5.022 0 40 HKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 224332719 CLDNSVLHYGDIRK-BJKOFHAPSA-N 418.610 5.820 0 40 HKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225022173 UTDUZXFATDPHBI-PKTZIBPZSA-N 402.567 5.096 0 40 HKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)CCc2ccc(C)c(C)c2)c1 225328378 ANCBEPKBBVMGCI-UHFFFAOYSA-N 409.913 6.329 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c2ccccc12 225682541 LDFHGOCTCNOUJC-UHFFFAOYSA-N 405.513 6.608 0 40 HKAB Cc1cccc([C@@H](NC(=S)Nc2cccc(N3CCCC3=O)c2)c2ccccc2)c1 225701209 GQBQEWFZRMDVTJ-DEOSSOPVSA-N 415.562 5.198 0 40 HKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 225827105 WKGSMVNDBATULH-HSZRJFAPSA-N 407.551 5.212 0 40 HKAB Cc1noc(C)c1CCC(=O)N1CCC[C@]2(CO[C@@H](c3ccccc3)[C@H](C(C)C)C2)C1 257283613 OZACGULNPDCROT-AYRHNUGRSA-N 424.585 5.267 0 40 HKAB Cc1cccc(CN2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c1 257295339 QXXXGGRBNRTNES-QHCPKHFHSA-N 424.510 6.379 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCc1ccc(C)cc1 408552056 GXSJUXVCTQXUEG-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCCc1s/c(=N\C(=O)c2cccc(Cl)c2)n(CC)c1-c1ccc(C)c(C)c1 408559659 ARJNHNGZOGASEW-BZZOAKBMSA-N 412.986 6.200 0 40 HKAB CCc1cccc(C)c1NC(=O)C(=O)c1c(-c2ccc(OC)cc2)cc2ccccn12 408675606 JMULRIDNWLNXHH-UHFFFAOYSA-N 412.489 5.307 0 40 HKAB Fc1cccc(COc2ccc(Br)cc2CNc2ccccc2Cl)c1 409178596 GZQIQSVYAQQQCF-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB COc1ccccc1[C@@H]1N(Cc2ccccc2)c2ccccc2C(=O)N1c1ccccc1 409335005 YNUGJZRYYFTSIP-HHHXNRCGSA-N 420.512 6.061 0 40 HKAB CC1=C[C@@H](C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)[C@H](C(=O)O)CC1 521398266 RCIFBFXCXNXEGK-QZTJIDSGSA-N 406.507 5.267 0 40 HKAB COc1cccc(-n2nc3c(=S)[nH]nc(-c4ccccc4)c3c2-c2ccccc2)c1 1016723 IPJKTSUWJMSPBW-UHFFFAOYSA-N 410.502 5.821 0 40 HKAB CCC(=O)N(CC[C@@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccco1 1322978 RTXCJBCDOYBERV-VWLOTQADSA-N 405.538 6.028 0 40 HKAB biogenic COCCOC(=O)c1c(C)oc2ccc(OCc3ccc(Cl)cc3Cl)cc12 1797684 KSBKUNCUJAMSJL-UHFFFAOYSA-N 409.265 5.430 0 40 HKAB biogenic O=C(C[C@@H](Sc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1)c1ccco1 1896397 UOILWVIASYOOBH-LJQANCHMSA-N 410.844 7.058 0 40 HKAB COc1c(Br)cc2ccccc2c1-c1c(OC)c(CO)cc2ccccc12 2182851 NQPJBXUFEYHZKG-UHFFFAOYSA-N 423.306 5.932 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccccc1 2214099 IAOGCQNMTBSXEI-UHFFFAOYSA-N 409.239 5.215 0 40 HKAB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)/C=C/c1ccco1 2396090 ZSKUBQJGPSVFQN-VOTSOKGWSA-N 413.260 6.355 0 40 HKAB CC(C)OCCCn1c(-c2ccc(C(C)(C)C)cc2)nc2nc3ccccc3nc21 2407602 FFPNKKBIBXICQF-UHFFFAOYSA-N 402.542 5.759 0 40 HKAB CC(C)c1ccccc1NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 2648453 RTGHEQBPAMBYHP-UHFFFAOYSA-N 422.550 5.029 0 40 HKAB O=C(CCCOC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(F)cc1 3332631 CEKDMJHPJXEGIM-UHFFFAOYSA-N 419.477 5.922 0 40 HKAB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)c3cccc(C)c3C)n2)cc1 3409512 KIQNNKDZZVYUNZ-INIZCTEOSA-N 408.523 5.173 0 40 HKAB O=C1O[C@]2(C[C@@H](c3ccccc3)[C@H]3CCCC[C@]34Nc3ccccc3N24)c2ccccc21 4333659 JQKXIOGQANFJIF-ZMRCCQFYSA-N 422.528 6.016 0 40 HKAB CCN(CC)C(=S)S[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 4551430 XJYZQGUQQCVVSJ-LAUBAEHRSA-N 412.624 5.835 0 40 HKAB COc1ccc(C(=O)Nc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 4573158 AQYWTIQGZSYOGI-UHFFFAOYSA-N 404.510 5.102 0 40 HKAB CCN(CC)C(=O)Oc1cc2c(-c3cc4cccc(OC)c4o3)cc(=O)oc2cc1C 4586182 DDUFSCMBVDWHGT-UHFFFAOYSA-N 421.449 5.364 0 40 HKAB biogenic Cc1ccc(C(=O)NCCCCCCCCNC(=O)c2ccc(C)c(C)c2)cc1C 4613934 DVEGRWPVTICDIN-UHFFFAOYSA-N 408.586 5.421 0 40 HKAB CCc1ccc2c(c1)C(c1c(C)[nH]c3ccccc13)(c1c(C)[nH]c3ccccc13)C(=O)N2 4660213 VHQMEPMGGQMJRT-UHFFFAOYSA-N 419.528 6.115 0 40 HKAB CCCCCSc1nc2c(c(=O)n1CCCC)C1(CCCC1)Cc1ccccc1-2 5024554 SBCOPOQLXJHQJZ-UHFFFAOYSA-N 410.627 6.361 0 40 HKAB CCOc1ccc(-c2cn3c(CC(=O)Nc4c(C)cccc4C)csc3n2)cc1 5147000 KMOXOLDOMXAOBW-UHFFFAOYSA-N 405.523 5.260 0 40 HKAB Cc1ccccc1NC(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 5255751 CLNHEZNDBKQIII-UHFFFAOYSA-N 411.577 5.906 0 40 HKAB CCN(C(=O)NCCCCCCNC(=O)N(CC)c1ccccc1)c1ccccc1 5314818 YZDCCWHAJBUJTC-UHFFFAOYSA-N 410.562 5.019 0 40 HKAB CC1(C)Cc2c(cnn2-c2ccccc2)-c2c1c1ccccc1n2Cc1ccccc1 5705915 XIYLQGISHIFYGA-UHFFFAOYSA-N 403.529 6.376 0 40 HKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](c2ccccc2)C(C)C)c(C(C)C)c1 6377305 BEXFZRISDAHHBH-DEOSSOPVSA-N 415.643 6.732 0 40 HKAB CC(C)N(C(=O)Cn1c([C@@H](C)Oc2ccccc2)nc2ccccc21)c1ccccc1 6664913 LSBJLOICHRMTLK-HXUWFJFHSA-N 413.521 5.618 0 40 HKAB CCC(C)(C)NC(=O)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 6678097 UUTBWPYFWSWXRR-UHFFFAOYSA-N 407.564 6.005 0 40 HKAB O=C(COc1ccc2c(c1)CCC2)Nc1ccccc1-c1nc2ccccc2s1 7990723 NSIAJOTUHDHIAB-UHFFFAOYSA-N 400.503 5.470 0 40 HKAB CC[C@@H](Oc1ccccc1F)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 8041411 AHEUKMZJCDKXKD-QGZVFWFLSA-N 416.345 5.340 0 40 HKAB Cc1ccc2[nH]c(SCC(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)nc2c1 8065672 NKDZCPBOBGKENU-FQEVSTJZSA-N 411.527 5.070 0 40 HKAB CCCOc1cccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 8071676 WUYZVZLLOHQQQA-UHFFFAOYSA-N 414.299 5.428 0 40 HKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 8478073 PKMGPZPVGKYDGJ-NRFANRHFSA-N 414.933 5.199 0 40 HKAB CC[C@H](Sc1nc2ccccc2[nH]1)C(=O)NN=C/C(C)=C\c1ccc(C(C)C)cc1 8721398 WHLZZYNTMGIASO-HGVHZBGKSA-N 420.582 5.763 0 40 HKAB O=C(NCCSc1c(-c2ccccc2)[nH]c2ccccc12)c1c(F)cccc1Cl 8923894 DMOMKTUAMJRTAO-UHFFFAOYSA-N 424.928 6.150 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(NC(=O)c3cc4c(s3)CCC4)cc2)cc1 9156428 QRNQPJFVCYGSQP-UHFFFAOYSA-N 406.507 5.140 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc2c(c1)CCCC2 9193336 AFPYRGOFEHWCIE-UHFFFAOYSA-N 420.582 5.191 0 40 HKAB Cc1ccc(OCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1C 11667399 SHLDYQMMYJUDQH-IBGZPJMESA-N 417.509 5.206 0 40 HKAB Cc1occc1-c1nnc(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)o1 12777641 OMUHZNHWGJWHJJ-UHFFFAOYSA-N 423.441 6.073 0 40 HKAB O=C(CCCCc1nc2ccccc2s1)N1CCC[C@@H]1c1nc2ccccc2s1 12892404 YHNVQNIQEBHDFR-GOSISDBHSA-N 421.591 5.983 0 40 HKAB O=C(NC(=S)Nc1ccccc1O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 17087605 HPJRECOXQUAEBI-UHFFFAOYSA-N 407.278 5.086 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1cccc(Cl)c1)CC2 18174499 DTDAWANOYJNXGE-HSZRJFAPSA-N 422.912 5.537 0 40 HKAB CCCC/N=c1\scc(-c2ccc(OC(=O)c3ccccc3)cc2)n1CCCC 18227811 YIFMGOWGSOCGRD-IZHYLOQSSA-N 408.567 5.937 0 40 HKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)Cc3cccc(F)c3)c2)cc1 19691329 SPCDWJGVBLSIGL-XMMPIXPASA-N 404.485 5.111 0 40 HKAB O=C(CCSc1ccc(Cl)cc1)NCCSCc1cccc(Cl)c1 20239033 LFSIILSVHJRPPZ-UHFFFAOYSA-N 400.396 5.525 0 40 HKAB OC1=Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccccc2)n1-c1ccccc1 20731507 MSFGCONXRPVMCY-NRFANRHFSA-N 412.518 5.629 0 40 HKAB C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1 26638736 XHKXWCRMYHNTDD-LBPRGKRZSA-N 407.272 5.598 0 40 HKAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1ccc(F)c(Cl)c1 32578496 LUKPNWZEHJEPEE-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB COc1ccc(Cc2nnc(Sc3ncnc4sc5c(c34)CCCCC5)o2)cc1 32857618 PXQXQCUULOVSPK-UHFFFAOYSA-N 424.551 5.094 0 40 HKAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc2ccccc2n1 32876153 FVADNUATXSTYCT-SFHVURJKSA-N 409.489 5.320 0 40 HKAB Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)c2c(C)nn(-c3ccc(F)cc3)c2n1 36616640 PLMCTVNIBXLBAG-UHFFFAOYSA-N 402.473 5.552 0 40 HKAB Cc1ccc(C(=O)N2C(=S)C(c3ccc(F)cc3)=NC23CCCCCC3)cc1C 45933085 HLCGJGQHWHNDQN-UHFFFAOYSA-N 408.542 5.766 0 40 HKAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@@H](c3cccc(Cl)c3)N1CC2 57731811 DZRJWVIGUKIGBT-DNQXCXABSA-N 406.913 5.429 0 40 HKAB CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccn2)cc1 67259348 UKVHALPZQWLOKS-UHFFFAOYSA-N 415.562 5.430 0 40 HKAB O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1Cc1cccs1 67259534 YUIOGZRPWGVKOO-UHFFFAOYSA-N 400.475 5.077 0 40 HKAB O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc(Sc2ccccn2)cc1 69978736 FVRWBDVNPNYJEK-UHFFFAOYSA-N 423.925 5.265 0 40 HKAB COc1cccc([C@H](C)Sc2nnc(CN3CCCCC3)n2Cc2ccccc2)c1 79001632 JITLJUNXUFWOIL-IBGZPJMESA-N 422.598 5.174 0 40 HKAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 96124435 HSJCDOFXHOCOCY-MRXNPFEDSA-N 416.506 5.355 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3nc(-c4cccc(C)c4)oc3c2)cc1 98086908 DBIYCJRUIJOZBH-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB C[C@H](Sc1nnc2c(n1)[C@]1(C)CC[C@@H]2C1(C)C)C(=O)Nc1cccc2ccccc12 100251789 SSWREBXQUUEKHH-NPALWHDTSA-N 418.566 5.319 0 40 HKAB COc1cc(CNc2ccccc2)cc(Br)c1OCc1ccc(F)cc1 107042995 QKCBOFHGKDZFEP-UHFFFAOYSA-N 416.290 5.788 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4cccc(Cl)c4C)o3)N21 222714058 VQNNUKFXRYRTJM-KBJGYGKASA-N 423.969 6.283 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 223272552 MRIQHBJTBPIXDQ-SXOMAYOGSA-N 413.561 5.937 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 223303120 KIQSPYJZBVSUJB-FGZHOGPDSA-N 411.542 5.008 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(OC3CCCC3)cc2)c(I)c1 225028535 VWSHCKBABZKQSB-UHFFFAOYSA-N 421.278 5.173 0 40 HKAB C[C@H](CCc1ccccc1)NC(=S)Nc1ccc(CSc2ccccc2)cc1 225513693 NRCHPVBHEFICKR-LJQANCHMSA-N 406.620 6.287 0 40 HKAB O=C(O)c1cccc(NCc2c(OCc3ccccc3F)ccc3ccccc23)c1 408604547 DTLWDJVRRYYUKZ-UHFFFAOYSA-N 401.437 5.868 0 40 HKAB CCOc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1Br 408631631 ADCADMNHVUCDCT-YBEGLDIGSA-N 420.284 5.207 0 40 HKAB COc1ccc2oc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2c1 409188243 XRVKQMDNKYENBJ-UHFFFAOYSA-N 401.506 6.162 0 40 HKAB COCCN1C(=O)S/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)C1=O 409214538 VUFLYIWCXGENGI-PXLXIMEGSA-N 419.502 5.102 0 40 HKAB CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=O)N(CC)C1=O 409343679 FAEBDHUXTOYUPL-SRZZPIQSSA-N 411.567 5.609 0 40 HKAB CC(C)=CCC[C@@]1(C)Oc2cc(-c3cccc(C(=O)O)c3)ccc2[C@@H]2O[C@H](C)CC[C@H]21 585265410 BPXSGVBCHOTVAF-UBJKNDRWSA-N 420.549 6.806 0 40 HKAB CCCc1nc(COc2cc(C)ccc2C)c(C(=O)O)cc1-c1cccc(Cl)c1 585265707 YQFYWPLBHSHOSW-UHFFFAOYSA-N 409.913 6.249 0 40 HKAB CCC(CC)CN1CCCCCOc2ccc(C(=O)O)cc2Cc2cccc(c2)C1 643583001 DVTFMUJQVLLFDC-UHFFFAOYSA-N 409.570 5.777 0 40 HKAB COc1ccc(C(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2)n1 2037853982 UYVFHRIMHCVRFD-UHFFFAOYSA-N 418.880 5.626 0 40 HKAB COc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)c(O)c2)cc1OC 666704 SZFAFBAWLQJXEH-UHFFFAOYSA-N 424.840 5.123 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)c1cccc2ccccc12 719619 KBKDUGVSCKRXDF-UHFFFAOYSA-N 405.475 5.899 0 40 HKAB O=C(c1cccs1)N(Cc1ccco1)c1nc(-c2ccc(Cl)cc2)cs1 932807 AURWHFADBKHFAT-UHFFFAOYSA-N 400.912 5.965 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1Cl 1265086 HYSKCUUMZUVIQL-UHFFFAOYSA-N 412.839 5.610 0 40 HKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCc3ccc(F)cc3)cc12 1301109 QGFBKNOQFHWCHW-UHFFFAOYSA-N 420.436 6.003 0 40 HKAB biogenic Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccccc3F)cc12 1371650 GPTMRDXAUBBYIO-UHFFFAOYSA-N 419.456 5.111 0 40 HKAB Cc1ccc(C(O)(c2ccc(C)cc2)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 1622005 UWVQXJFNNKWNLZ-UHFFFAOYSA-N 422.568 6.092 0 40 HKAB O=S(=O)(c1ccccc1)C(Cc1ccccc1)(Cc1ccccc1)c1ccccc1 1723210 HTUMGVKVDVFUGR-UHFFFAOYSA-N 412.554 5.841 0 40 HKAB Cc1cc(Oc2coc3cc(OCCc4ccccc4)ccc3c2=O)cc(C)c1Cl 1775117 CHFVDVBHULBVNY-UHFFFAOYSA-N 420.892 6.477 0 40 HKAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc(OCc2ccccc2Cl)cc1 2189088 JPGBATMOFSYOPM-BKUYFWCQSA-N 424.283 5.917 0 40 HKAB CC(C)Sc1nnc2c3c4c(sc3nc(SC(C)C)n12)COC(C)(C)C4 2404812 YGZYTAVGXJZGCZ-UHFFFAOYSA-N 408.618 5.191 0 40 HKAB Cc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2cccs2)N2N=CNC2=N3)cc1 2707280 JVNOFTQUGNLNEH-GOTSBHOMSA-N 412.518 5.169 0 40 HKAB COc1ccccc1CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 2714777 BKCJGDHSYNSADU-UHFFFAOYSA-N 424.479 5.847 0 40 HKAB Cc1ccc(CNC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)cc1 3290969 OGOVNWOTECDIJJ-UHFFFAOYSA-N 404.560 5.706 0 40 HKAB O=C(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1ccccc1Br 3655375 HXUASQWVGPMBSX-UHFFFAOYSA-N 420.262 5.679 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(/C=C/c3nc4ccccc4s3)cc2)cc1 3997578 JAXDBKFDXOTEFZ-XNTDXEJSSA-N 406.532 5.576 0 40 HKAB CCCCOc1ccc(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)cc1 4056111 NMHIJRZCVVYDKS-UHFFFAOYSA-N 401.503 5.314 0 40 HKAB C[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)Nc1ccccc1-c1ccccc1 4484655 BWBJTFZDMVYRLD-QGZVFWFLSA-N 414.534 5.050 0 40 HKAB CCOC(=O)c1sc(N2N=C3CCCC[C@@H]3[C@H]2c2ccc(OCC)cc2)nc1C 4931395 VCVCOYQFEAHTTM-PKOBYXMFSA-N 413.543 5.134 0 40 HKAB COc1cccc(-c2nnc(SCc3cc(C)on3)n2-c2ccc(Cl)cc2)c1 5260161 XPGRUPUUMFKZNE-UHFFFAOYSA-N 412.902 5.185 0 40 HKAB C[C@@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)Nc1ccccc1F 5288003 APSHMVWVHSWYCL-CYBMUJFWSA-N 409.511 5.617 0 40 HKAB CCCCN1C(=O)S/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C1=O 5552406 OJYGXCDQPFUDRQ-UYRXBGFRSA-N 401.915 5.755 0 40 HKAB Cc1cccc(C)c1Oc1nc(-c2ccccc2)ncc1S(=O)(=O)c1ccccc1 5748204 RHIMXBAPHQHSSP-UHFFFAOYSA-N 416.502 5.386 0 40 HKAB aggregator CCCOc1ccc(C2=NN=C(c3cc(OC)cc(OC)c3)Nc3ccccc32)cc1 5978810 QDBDGNCJLHBCLQ-UHFFFAOYSA-N 415.493 5.117 0 40 HKAB C[C@@H]1CCC[C@@H](C)N1C(=S)SCC(=O)Nc1ccccc1Cc1ccccc1 6083284 SKQLREQXZQLRQM-QZTJIDSGSA-N 412.624 5.497 0 40 HKAB CCn1c(/C(Cl)=C/c2ccc(Br)cc2)nc2cc(C(=O)O)ccc21 6314083 JWMFOZJKOPRBCU-ZROIWOOFSA-N 405.679 5.254 0 40 HKAB Cc1cccc(Cn2c([C@@H]3CC(=O)N(c4ccccc4Cl)C3)nc3ccccc32)c1 7542514 NDNFYUSLDSLQEQ-LJQANCHMSA-N 415.924 5.567 0 40 HKAB Cc1nnc(SCC(=O)N[C@H](C)c2cccc3ccccc23)n1C1CCCCC1 8157331 ICRLOJRAJGZQRN-MRXNPFEDSA-N 408.571 5.214 0 40 HKAB CCOc1cccc(C(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)c1 8196701 PEZZTNDPSVJGEV-QGZVFWFLSA-N 414.505 6.659 0 40 HKAB Cc1ccc(C)n1N(Cc1ccc(Cl)cc1Cl)C(=O)c1ccccc1Cl 8475569 NNNAPUNBGSMVDX-UHFFFAOYSA-N 407.728 6.044 0 40 HKAB CCOC(=O)[C@@H](Sc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1ccccc1 8879022 XHIAYGCIYKDHKV-SFHVURJKSA-N 422.531 5.048 0 40 HKAB O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)c1ccc2ccccc2c1 9037293 XCOFOGKVUOJUQQ-UHFFFAOYSA-N 412.514 5.352 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC(C)C)cc1OCC 9164761 KWZRYBBYPSRFQX-UHFFFAOYSA-N 424.541 5.062 0 40 HKAB Cc1ccc(-c2nsc(SCC(=O)Nc3ccc(Br)cc3)n2)cc1 9404015 BTDBJQYRUSWRGS-UHFFFAOYSA-N 420.357 5.007 0 40 HKAB Cc1csc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)n1 9545995 COXRKAYIWKSADF-INIZCTEOSA-N 417.943 5.168 0 40 HKAB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4cccnc4)cc3)nc2c1 10119779 YHLBYPBDUBUYLK-UHFFFAOYSA-N 422.282 5.467 0 40 HKAB Fc1ccc(COc2cccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c2)cc1 12376913 PKTNJQBATOIYGW-UHFFFAOYSA-N 420.487 7.129 0 40 HKAB CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN23)cc1 13616372 NWBMDXWRCSBCDF-VWNXMTODSA-N 404.897 5.981 0 40 HKAB Brc1ccc(-c2ccc(CNC3CCCCC3)o2)c(Br)c1 13730605 LYQNVUDBLSGSRB-UHFFFAOYSA-N 413.153 5.894 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2sc3cc(Cl)ccc3c2Cl)N2CCCC2)o1 15860459 RTFLZKPZCNRSJL-OAHLLOKOSA-N 423.365 5.676 0 40 HKAB Fc1ccc(CNCc2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 16525979 IUGOTIZXQXFUJW-UHFFFAOYSA-N 405.900 6.501 0 40 HKAB COC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 16757658 AQPHXWWHHCAQET-MRXNPFEDSA-N 403.507 5.050 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CSc1nccn2nc(-c3ccccc3)cc12 16991356 FIVGUWCUJCNMCT-UHFFFAOYSA-N 408.914 5.089 0 40 HKAB Cc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1 17090356 LRYARNYAIRDWHJ-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(-c2ccc(Cl)cc2)o1 20139860 WDFVBQXOQAEPLM-UHFFFAOYSA-N 410.640 5.857 0 40 HKAB COc1ccc(C(=O)O)cc1NCc1c(OCc2ccccc2)ccc2ccccc12 20880254 RXYQUYHWUVWHNN-UHFFFAOYSA-N 413.473 5.738 0 40 HKAB COc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(C)c(Cl)c4)c3c2c1 21017591 MADHSBGIKSEPMG-UHFFFAOYSA-N 413.908 6.520 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2cccnc2)no1 22463443 QFWVAECPSOSYHV-UHFFFAOYSA-N 422.897 5.183 0 40 HKAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 23011146 FINFBBLXBYJQHO-UHFFFAOYSA-N 415.371 5.482 0 40 HKAB CCc1nc2ccc(C(=O)N(C)[C@@H](C)c3nc4ccccc4s3)cc2nc1CC 23326179 NTLGXMAYVZWUBT-AWEZNQCLSA-N 404.539 5.198 0 40 HKAB O=C(COc1ccc(F)cc1)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 27793649 CKEDAZSLOFZIHO-FQEVSTJZSA-N 422.887 5.288 0 40 HKAB CC[C@H](C(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@@H]1c1ccccc1)c1ccccc1 28047906 MZJSCDHBBLGBHP-RDPSFJRHSA-N 418.924 5.404 0 40 HKAB C[C@H](c1cccs1)N(C)C(=O)COc1ccc2ccccc2c1Br 29780829 QTGQMEXJQFDLLM-CYBMUJFWSA-N 404.329 5.262 0 40 HKAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)C1c2ccccc2Oc2ccccc21 31264578 QJOYDRAMMKKQSU-LJQANCHMSA-N 401.462 5.121 0 40 HKAB CCCc1ccc([C@H](NC(=O)CSc2nc(C)cc(C)n2)c2cccs2)cc1 32903955 FJKYCIRATAMMPX-NRFANRHFSA-N 411.596 5.105 0 40 HKAB O=C(c1cc2ccccc2s1)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 58023786 LLNOYXGIDIXVLH-UHFFFAOYSA-N 423.488 5.589 0 40 HKAB O=c1c2ccccc2nc(SCc2ccccc2F)n1Cc1ccccc1Cl 67258522 SXCVWUIKELZJAE-UHFFFAOYSA-N 410.901 5.530 0 40 HKAB O=c1c2ccccc2nc(SCc2ccccc2C(F)(F)F)n1C1CCCC1 67259440 DVPNSAKRWDMPKL-UHFFFAOYSA-N 404.457 5.823 0 40 HKAB FC(F)(F)Oc1cccc(NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1 71760919 VRRKTEDWMKUALL-UHFFFAOYSA-N 414.758 6.066 0 40 HKAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(COCC(F)(F)F)cc1 72277172 GFMGYHIJZLHQKW-NHCUHLMSSA-N 405.460 5.564 0 40 HKAB CS(=O)(=O)c1ccc(-c2nc(CN[C@@H](c3ccccc3)C3CCCCC3)co2)cc1 95452666 LEOPBOVGLCFRMU-QHCPKHFHSA-N 424.566 5.156 0 40 HKAB CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(C)cc4C)c(C)s3)C(=O)[C@@H]21 100860054 WHIOHBGYSHOOBF-JYBIWHBTSA-N 406.551 5.217 0 40 HKAB C[C@@H](NC(=O)c1oc2ccccc2c1CSCc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 102253297 SKXIGRMKCVMNHR-XBZUYWNMSA-N 419.590 6.421 0 40 HKAB CCCCn1nc(C)c2c(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c(Cl)c(C)nc21 103160707 RCAGSOYIKVEZOW-OSMBCOQSSA-N 402.970 5.056 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 219351641 QUPHISGGBXFPKH-VXKWHMMOSA-N 407.510 5.282 0 40 HKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(OCC)cc1 222977744 WTTBFEHSKDOTJM-PKTZIBPZSA-N 420.582 5.044 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)oc2ccccc23)c(OC)c1OC 223451587 YYVDWBCINUCGNF-UKTHLTGXSA-N 403.434 5.264 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccc(-c2ccccc2)cc1 224215272 JSQGOCFFWSJUAL-UHFFFAOYSA-N 423.512 6.502 0 40 HKAB CC[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(C)cc1 225483427 WNMMZBDDTDFJOX-HSZRJFAPSA-N 406.620 6.725 0 40 HKAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)c1 225536351 JWMBGCORALREQE-IBGZPJMESA-N 406.620 6.643 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C 225578109 CRMALFPGZDUHEX-UHFFFAOYSA-N 401.934 5.514 0 40 HKAB COC(=O)c1cc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)ccc1Cl 225678934 ZUHJESINDOBAIX-KRWDZBQOSA-N 418.946 5.024 0 40 HKAB Cc1cccc(CCC2(NC(=S)Nc3cccc(C(F)(F)F)c3)CCCC2)c1 225849730 GOWDKBQKVAOUHJ-UHFFFAOYSA-N 406.517 6.246 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)cc1C(F)(F)F 225953573 ILUGDBIEABEHJZ-UHFFFAOYSA-N 423.431 5.183 0 40 HKAB Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(Cl)cc2Br)o1 227144770 NEJGBCPDESWKAT-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2cccc(C)c2)cc1 408694964 MXXWDXXNUACTMV-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1c(Cl)cccc1NCc1c(OCc2ccccc2F)ccc2ccccc12 409137563 YDLICCFLQZYNEW-UHFFFAOYSA-N 405.900 7.132 0 40 HKAB Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 409387561 JAMYHKMKAHZIFY-UHFFFAOYSA-N 418.349 5.798 0 40 HKAB CC(C)Sc1ccc(CC(=O)N2CCC(COCc3ccc(F)cc3)CC2)cc1 585146661 QTEYGEPMULMEJQ-UHFFFAOYSA-N 415.574 5.324 0 40 HKAB COc1ccc2c(c1)-c1c(ccc(OC)c1O)C[C@@H](CCc1ccccc1)N(C)CC2 607716 IORHSKBXWWSQME-JOCHJYFZSA-N 417.549 5.108 0 40 HKAB biogenic,in-man CCOc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc(Br)c1O 717969 BEJYSVKSOAUXDA-OAHLLOKOSA-N 412.283 5.181 0 40 HKAB CCc1cccc(C)c1NC(=O)c1cc(Br)c(Br)s1 938138 PFCOVIZAJPDFDU-UHFFFAOYSA-N 403.139 5.396 0 40 HKAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)N4CCC[C@@H](C)C4)c23)C1 1377306 OCBAZNYGUBKXCO-UONOGXRCSA-N 415.628 5.044 0 40 HKAB COc1ccc(C(c2ccc(OC)c(OC)c2)C(Cl)(Cl)Cl)cc1OC 1599525 JKLYVAJMDJZQTN-UHFFFAOYSA-N 405.705 5.223 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@@H](C(C)C)OC3 1749716 ZEXXBVVHXGVDNZ-KRWDZBQOSA-N 414.596 5.355 0 40 HKAB CCOc1ccc(/N=c2\cc(-c3ccc(OC)c(OC)c3)oc3ccccc23)cc1 1820522 DJVANDBMHLQZLQ-YYADALCUSA-N 401.462 5.748 0 40 HKAB biogenic CCCOc1ccc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)cc1 2052058 ZBDWHUIESDGYOH-UHFFFAOYSA-N 406.873 5.115 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 2062661 CPQHEKUTLDLPLW-UHFFFAOYSA-N 422.484 6.526 0 40 HKAB COc1ccccc1-c1nnc(SCc2cc(C)ccc2C)n1-c1ccccc1 2214413 KGRKQFHHQKALKV-UHFFFAOYSA-N 401.535 5.852 0 40 HKAB CCCCCCc1c(C)c2cc3c(-c4ccc5ccccc5c4)coc3c(C)c2oc1=O 2221490 ALWWAKNHCIMZIM-UHFFFAOYSA-N 424.540 8.099 0 40 HKAB Cc1cccc(-n2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3nc4ccccc4nc32)c1 2291817 FGWSLVJNFCPHGD-UHFFFAOYSA-N 421.504 5.333 0 40 HKAB CC(C)Cc1csc(C(=O)Nc2ccccc2)c1C(=O)Nc1cccc(Cl)c1 2347736 IRJFAKGWNJEHBD-UHFFFAOYSA-N 412.942 6.105 0 40 HKAB CCOc1ccc(-c2nnc(Nc3ccc(C(=O)N(C)C)cc3)c3ccccc23)cc1 2365933 AHZUOEWVCORSNW-UHFFFAOYSA-N 412.493 5.141 0 40 HKAB CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCCCCC2 2739277 KNEUEEUACNKIHI-BUHFOSPRSA-N 417.958 5.889 0 40 HKAB COc1ccc2cc([C@H](C)C(=O)OCC(=O)Nc3cccc4ccccc34)ccc2c1 2783753 DPKKMPYXHBNCKY-KRWDZBQOSA-N 413.473 5.287 0 40 HKAB O=C(OCc1nc2ccccc2s1)c1ccccc1-c1nc2ccccc2s1 3244928 XPEULROTTBYDFO-UHFFFAOYSA-N 402.500 5.930 0 40 HKAB Cc1ccccc1-n1c(SCc2nc3ccccc3s2)nc2ccccc2c1=O 3325583 KJFKEHBHWPPQNC-UHFFFAOYSA-N 415.543 5.596 0 40 HKAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccc(-c2cccc(Cl)c2)o1 3362957 QUDADVMJYBOWST-LICLKQGHSA-N 418.663 6.251 0 40 HKAB COc1cccc(-c2nnc(SCc3cccc(Cl)c3)n2-c2ccccc2)c1 3364102 VSIBSAHQJYNHEW-UHFFFAOYSA-N 407.926 5.889 0 40 HKAB Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)c2ccc(-c3ccccc3)[nH]2)c1C 4161204 AYTDRQRWOVXTAS-UHFFFAOYSA-N 415.537 5.004 0 40 HKAB Cc1ccc(C(=O)[C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4309649 HYFDAIRVJVJFRB-XUZZJYLKSA-N 402.881 5.401 0 40 HKAB Cc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)cc1Cl 4518211 SZHSHWIFNJFXGZ-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB COc1ccc(-c2cc(C(=O)NCc3ccccc3Cl)c3ccccc3n2)cc1 4659687 HOSQHSPUDNWTSZ-UHFFFAOYSA-N 402.881 5.494 0 40 HKAB CCCCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1 4871904 ODDDBQVTIUEZEP-XNMGPUDCSA-N 412.533 6.416 0 40 HKAB CCCCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(C)cc1 4875223 MOJRZGXRUSENIR-UHFFFAOYSA-N 405.516 5.514 0 40 HKAB Cc1ccc2nc(-c3ccccc3)nc(S[C@@H](C)C(=O)NC3CCCCC3)c2c1 4897865 DFZGLKMLTQEOPN-KRWDZBQOSA-N 405.567 5.535 0 40 HKAB CCn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 5067220 WPZZUTZWJHJCPX-UHFFFAOYSA-N 416.590 5.899 0 40 HKAB COc1ccc(-c2nc(COC(=O)CCCc3c[nH]c4ccccc34)cs2)cc1 5184800 HNQNZOAOBWARIR-UHFFFAOYSA-N 406.507 5.366 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)CC1=C[C@@H]3O 5758834 OYXZMSRRJOYLLO-UXWMIUDQSA-N 402.663 6.360 0 40 HKAB in-man O=C1C[C@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1ccccc1Cl 7343656 YDEMUJZWKUKWRJ-IBGZPJMESA-N 415.924 5.453 0 40 HKAB O=c1c(Cl)c(Oc2ccc(OCc3ccccc3)cc2)cnn1-c1ccccc1 7737556 PIEAIUDAFDFHIH-UHFFFAOYSA-N 404.853 5.257 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccccc4C)cc3)nc2c1 8198167 SFGXFIXETDUCEO-KRWDZBQOSA-N 414.505 6.334 0 40 HKAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(CSc2ccccc2)cc1 8477787 ZMXFGBRHTQKWAF-OAQYLSRUSA-N 407.535 5.784 0 40 HKAB CC(C)CCOc1cccc(C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)c1 8567902 LSOSDHMHXDXYDB-UHFFFAOYSA-N 422.569 5.769 0 40 HKAB Cc1cc(C)c2nc(N3CCN(c4nc5c(C)cc(C)cc5s4)CC3)sc2c1 8975745 VRXYZMHGXKEZBD-UHFFFAOYSA-N 408.596 5.466 0 40 HKAB COc1cccc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)c1 9665640 OIWALULNVJSXCS-UHFFFAOYSA-N 423.972 5.056 0 40 HKAB Cc1ccc2nc(-c3ccccc3)cc(-c3nn4c(-c5ccccc5)nnc4s3)c2c1 10272144 ZUDHOFQHGIZXKC-UHFFFAOYSA-N 419.513 6.043 0 40 HKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C[C@H]12 10272319 KPMMIZLQECJQJE-LQGBOGDMSA-N 407.554 6.590 0 40 HKAB biogenic O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1cccc2ccccc12 11617271 JFAKNXQNIMQBOV-UHFFFAOYSA-N 415.337 6.040 0 40 HKAB Cc1ccc(OCCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)c(C)c1 11667174 JDRIFZOAEFHMSN-UHFFFAOYSA-N 417.509 5.035 0 40 HKAB CCCc1noc([C@H](C)Sc2nnc(-c3cccc(OC)c3)n2-c2ccccc2)n1 12522053 NZJLUGMHHSAWSJ-HNNXBMFYSA-N 421.526 5.132 0 40 HKAB C[C@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)c1ccc(C(C)(C)C)cc1 12542234 VXAUKQZDKFRCCZ-LULHVWEPSA-N 402.437 5.413 0 40 HKAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)C1c2ccccc2Oc2ccccc21 12600135 KCDNOKJCTAKDPI-UHFFFAOYSA-N 409.489 5.639 0 40 HKAB CC(C)n1ncc2cc(NC(=O)c3cc(Cl)cc(Cl)c3OC(F)F)cnc21 12766397 MRTGIRVLUUJLMS-UHFFFAOYSA-N 415.227 5.173 0 40 HKAB CCCCc1noc([C@@H](C)Sc2nnc(-c3cccc(C)c3)n2Cc2ccco2)n1 12922479 UQGFRUYFZRPZDV-MRXNPFEDSA-N 423.542 5.474 0 40 HKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 13709336 TYYYZRNTVHRGSV-QGZVFWFLSA-N 417.892 6.692 0 40 HKAB COc1cccc(-c2nnc(SCC(=O)c3ccc(-c4ccccc4)cc3)n2C)c1 14141506 UDDSCERWPMFYNM-UHFFFAOYSA-N 415.518 5.133 0 40 HKAB Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)C[C@@H](c1cc(F)cc(F)c1)C3 14163833 IVKDVOWVUSPXGB-HNNXBMFYSA-N 423.850 5.549 0 40 HKAB Cc1nc(COc2ccccc2/C=C/C(=O)N2CC=C(c3ccccc3)CC2)cs1 14348093 IXSSYIMQXPDGJF-VAWYXSNFSA-N 416.546 5.360 0 40 HKAB Cc1cccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccccc3)C2=O)c1C 15412449 VVKVYKVUWMCNLK-QHCPKHFHSA-N 404.897 5.078 0 40 HKAB Cc1cc(I)ccc1NC(=O)c1cccc2c(Cl)cccc12 17092809 BBIKQNKNTQIWMH-UHFFFAOYSA-N 421.665 5.659 0 40 HKAB COc1cccc(CNCc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)c1 17311933 GAXHWUAEHDIWRR-UHFFFAOYSA-N 404.341 5.153 0 40 HKAB CCN(C(=O)c1ccccn1)[C@H]1CCO[C@@H](c2ccccc2-c2cc(F)cc(F)c2)C1 19711897 OLMHNPNCWPNINK-GBXCKJPGSA-N 422.475 5.409 0 40 HKAB CC(C)n1c([C@@H]2CCCN(Cc3ccc(N4CCCC4=O)cc3)C2)nc2ccccc21 19715907 HUFWSXVUMSJQCF-OAQYLSRUSA-N 416.569 5.124 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20106876 OBADIBHLWWYOHB-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(-c2cc(Cl)ccc2Cl)o1 22393108 BRLFJDTUARAUMZ-UHFFFAOYSA-N 417.292 5.342 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1ccc2ncsc2c1 23731885 RWNYHDCIAIILPI-UHFFFAOYSA-N 424.957 5.084 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1C 28288004 YOYYZUOWJZTBHZ-MRXNPFEDSA-N 414.958 5.207 0 40 HKAB Cc1cc(C)c(C)c(SCc2nnc(C(=O)Nc3ccc(F)cc3)s2)c1C 30789193 KATGUGDHPJXKNF-UHFFFAOYSA-N 401.532 5.455 0 40 HKAB Cc1ccc(-c2csc(-n3c(NC(=O)c4ccc(F)cc4F)cnc3C)n2)cc1 32616188 POCSVJOWWCSRSI-UHFFFAOYSA-N 410.449 5.143 0 40 HKAB COc1ccc(-c2noc(CSc3nc(-c4ccco4)nc4ccccc34)n2)cc1 32868684 DUVHQCNTEVVMFB-UHFFFAOYSA-N 416.462 5.241 0 40 HKAB O=C(CCC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc(Cl)s1 32905088 YPGSYNFKMINZNB-OAQYLSRUSA-N 415.967 5.600 0 40 HKAB CCOC(=O)CCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 35827265 ZCJWUALROCNBGI-UHFFFAOYSA-N 424.544 5.609 0 40 HKAB Cc1nc(-c2ccc(CC(=O)NCc3csc(-c4ccccc4)n3)cc2)cs1 36397686 FMMFGYABZAFAKX-UHFFFAOYSA-N 405.548 5.101 0 40 HKAB O=C(CSc1ccc(-c2ccc(Br)cc2)nn1)c1ccc(Cl)cc1 36634904 XRGVDQYXHZQNJE-UHFFFAOYSA-N 419.731 5.535 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCCCCC2)cc1 44855424 ROCPLPHFEQAFGF-HSZRJFAPSA-N 406.570 5.403 0 40 HKAB COc1ccc(C(=O)N2C(=S)C(c3ccc(C(C)(C)C)cc3)=NC23CCCC3)cc1 45932821 QYUMHBYJJQLEPW-UHFFFAOYSA-N 420.578 5.536 0 40 HKAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccccc2OCc2cscn2)cc1 58202333 PDMSNYGVVRBKFN-HNNXBMFYSA-N 402.541 5.036 0 40 HKAB CN(Cc1nc(-c2cc(Br)cs2)no1)[C@@H]1CCCc2ccccc21 58357445 IWXJEJFDOGGQRK-OAHLLOKOSA-N 404.333 5.070 0 40 HKAB O=C(COc1ccc(Cl)c2ccccc12)Nc1cccc(-n2cc[nH]c2=S)c1 58381296 XYUHUHMPVPMKFI-UHFFFAOYSA-N 409.898 5.359 0 40 HKAB Cn1c(-c2cccc(OC(=O)c3csc(-c4ccco4)n3)c2)nc2cc(F)ccc21 72275458 IDLLLDVAHZPETN-UHFFFAOYSA-N 419.437 5.315 0 40 HKAB COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)CCCc2ccccc2)n1 72358263 KZALUZSNMOMTTC-RUZDIDTESA-N 414.549 5.367 0 40 HKAB CCCC/N=c1/scc(-c2ccc(OC(=O)c3ccccc3)cc2)n1CCCC 100894505 YIFMGOWGSOCGRD-OCOZRVBESA-N 408.567 5.937 0 40 HKAB COc1ccc([C@@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3ncnn32)cc1OC 101240248 RXEHQBJMEREHMZ-QFIPXVFZSA-N 410.477 5.018 0 40 HKAB CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1 103718678 YMXJVVHEEWDVTP-MRXNPFEDSA-N 404.432 5.040 0 40 HKAB CC(C)c1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)c(Br)c1 218872952 RXGILYZDDRCCBY-MRXNPFEDSA-N 404.348 5.089 0 40 HKAB CC[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(C)cc1C 218947252 ZAJGHAXBYAWXEE-QGZVFWFLSA-N 410.739 5.366 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cnc(-c2ccc(F)cc2)nc1 222617620 ZDGLVDRDGYQCHE-UHFFFAOYSA-N 419.843 5.981 0 40 HKAB CCOc1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1Cl 223227765 KBGKCHOPEWICGO-UHFFFAOYSA-N 418.773 5.709 0 40 HKAB Cc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1C 223505182 MMGVAIZWICAGPE-GOSISDBHSA-N 416.968 5.494 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)c(Br)c1 224248969 RBVWVIIORKWNPM-UHFFFAOYSA-N 410.311 5.281 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Cl)cc3)o2)cc1 224917923 VQUXPKGPLGZECW-UHFFFAOYSA-N 418.880 6.313 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@@H](C)C3)cc2)CCCCCC1 225711337 ITZAQOKKFJBDSV-OYRHEFFESA-N 416.606 5.111 0 40 HKAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cc2c(ccc3ccccc32)o1 225796630 ABNZMDKTEQEKJY-UHFFFAOYSA-N 405.866 6.010 0 40 HKAB Cc1ccc(NC(=O)c2sc3nc(C(F)(F)F)c4c(c3c2N)CCCC4)cc1 257173812 XZKUFWKSAUHXQP-UHFFFAOYSA-N 405.445 5.337 0 40 HKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1cccc(C(F)(F)F)c1)C[C@]2(C)NC(=O)C1CCCC1 257209490 BQQACRJAHWGMQY-VUUZQCJOSA-N 423.519 6.037 0 40 HKAB O=C(Cc1cccc(Cl)c1)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C12CCCCC2 257296818 REMVWBYMLWKFEU-VWNXMTODSA-N 423.000 5.176 0 40 HKAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc(Cl)c1OCC 260786469 XGYZBPHREDGDJU-ZNZDAUKMSA-N 417.962 5.122 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(-c3ccccc3F)nc2c1 408577095 ZZEGXLNTIYADDY-NTCAYCPXSA-N 424.431 6.546 0 40 HKAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)cc1 409106367 RPFMTYXOVIDEOO-UHFFFAOYSA-N 415.562 5.858 0 40 HKAB CCc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1cccc(F)c1 409119297 VYUOWKZGAWQWSG-UHFFFAOYSA-N 404.312 6.886 0 40 HKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 409176629 TVVKTZVJNGVZNN-GOSISDBHSA-N 404.535 5.044 0 40 HKAB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)o1 409352854 XGPYCEDVMPMXCT-UHFFFAOYSA-N 411.527 5.120 0 40 HKAB CCc1ccc([C@@H]2CN(Cc3ccccc3)[C@H]3CCN(Cc4cccs4)C[C@H]32)cc1 1848354039 AKRUFLAPFPRBLD-QKDODKLFSA-N 416.634 5.801 0 40 HKAB CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4cccc5ccccc45)cc3n2)cc1 994302 MVJISSBIONZDRR-UHFFFAOYSA-N 422.488 5.509 0 40 HKAB Cc1ccc(OCc2ccc(C(=O)OCc3ccc(Cl)cc3Cl)cc2)cc1 1863936 RJNYXRGJSRXHAS-UHFFFAOYSA-N 401.289 6.238 0 40 HKAB COc1ccc(Cl)cc1C(=O)Oc1ccc(-c2nc3ccc(C)cc3s2)cc1 2061945 GAYAJTPZIRCPEI-UHFFFAOYSA-N 409.894 6.153 0 40 HKAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1c(Cl)cccc1Cl 2265032 DNWXOKAEYHYWCF-IQGLISFBSA-N 402.258 5.079 0 40 HKAB CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1Cl 2320058 NVMVSOGQOAGSAB-PTNSOUGSSA-N 401.937 6.602 0 40 HKAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)cc1 2763343 OIQZHNHPHBICCB-UHFFFAOYSA-N 415.356 6.122 0 40 HKAB Cc1ccc(NC(=O)[C@@H](OC(=O)/C=C/c2cccs2)c2ccccc2)cc1Cl 3224052 RMRXUVODEWWJMU-VIOKTNGOSA-N 411.910 5.646 0 40 HKAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc4ccccc34)c2C1 3312633 IBPNUXZHULZBIG-KRWDZBQOSA-N 424.500 5.308 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(-c2cccs2)nc2ccccc12 3359760 RCDHSCYFINYONV-UHFFFAOYSA-N 420.537 6.483 0 40 HKAB Cc1ccc(-c2cn3nc(COc4cc(C)ccc4C(C)C)n4c3c2CCCC4)cc1 3394762 QAGJPZUSBQNASK-UHFFFAOYSA-N 413.565 6.458 0 40 HKAB CSc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 3410990 IJDDUZMUDXUISX-UWXVCKHVSA-N 416.546 5.551 0 40 HKAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)[C@H](C)NC(=O)c1ccccc1Cl 3419431 LNGQHRHIUOCJOK-INIZCTEOSA-N 401.934 5.116 0 40 HKAB COc1cccc([C@H](CNC(=O)Nc2ccccc2)c2c[nH]c3ccccc23)c1OC 3434480 JYDPHTRPUPQFCD-NRFANRHFSA-N 415.493 5.139 0 40 HKAB Cc1ccc(OCc2ccc(C(=O)N(C3CCCCC3)C3CCCCC3)o2)cc1C 3638856 OKTMSZIOIOQEER-UHFFFAOYSA-N 409.570 6.583 0 40 HKAB CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 3982451 KZJWDPNRJALLNS-RBSBQHFOSA-N 414.718 8.025 0 40 HKAB biogenic CCC(=O)N(CC[C@@H](c1ccc(C)cc1)[C@@H]1CCOC(C)(C)C1)Cc1ccccc1 4028092 NUYXBMLFCDKLOB-RPBOFIJWSA-N 407.598 6.113 0 40 HKAB biogenic Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)c1 4069854 TVPMMLPMNRMAOS-UHFFFAOYSA-N 400.503 6.472 0 40 HKAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1cccc(C(F)(F)F)c1 4305474 USADDEPCLZWQGL-IBGZPJMESA-N 416.468 5.301 0 40 HKAB CC[C@H](C(=O)Nc1cc(NC(=O)[C@H](CC)c2ccccc2)ccc1C)c1ccccc1 4666596 QRIUWSHTVRUFSA-RPWUZVMVSA-N 414.549 6.260 0 40 HKAB CCOC(=O)c1ccc(-c2ccc([C@H]3O[C@H]4CCCC[C@H]4c4sccc43)o2)cc1 4784292 CRUCRXHYCUGCRX-AGHHOFFYSA-N 408.519 6.331 0 40 HKAB CCCCCCOc1ccc(-c2nc(-c3ccc(OCCCC)cc3)cc(=O)o2)cc1 4850922 RSLUQNHCTCRBRN-UHFFFAOYSA-N 421.537 6.507 0 40 HKAB CC(C)CN(C(=O)CCC1CCCC1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880880 DQKBTOVGXPPGDA-UHFFFAOYSA-N 413.631 6.462 0 40 HKAB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1)c1ccco1 5206269 RHKIYBVABKXBCZ-UHFFFAOYSA-N 400.217 5.612 0 40 HKAB O=C(CCCSc1nnc(Cc2cccs2)n1C1CC1)c1ccc(F)cc1 5359968 WRCDAYVAPOMPFV-UHFFFAOYSA-N 401.532 5.160 0 40 HKAB Cc1c(Cl)cccc1Nc1c(-c2c[nH]c3ccccc23)nc2ccc(Cl)cn12 5454121 NTRBCIMVKKWDSC-UHFFFAOYSA-N 407.304 6.841 0 40 HKAB O=C(c1ccc2ccccc2c1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 5577052 ISHIFSZRHHZUOA-JOCHJYFZSA-N 400.865 6.078 0 40 HKAB FC(F)(F)c1cccc(Sc2nc(-c3ccccc3)nnc2-c2ccccc2)c1 5685045 ASYGRQFOFZBTOL-UHFFFAOYSA-N 409.436 6.376 0 40 HKAB Cc1cc(C)c2nc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)cc(C)c2c1 6329969 TZAQDAIRETXJIS-UHFFFAOYSA-N 406.595 6.079 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C)cc4Cl)c3)nc2c1 6449746 UYHTZGMZHPGAPN-INIZCTEOSA-N 418.924 7.222 0 40 HKAB CCN(C(=O)Nc1cccc2ccccc12)[C@H](C)Cc1cccc(C(F)(F)F)c1 6462974 IQRDNGUOSALAAG-MRXNPFEDSA-N 400.444 6.344 0 40 HKAB Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)s2)cc1 6650431 PSODWQFXHRFFAD-JKQORVJESA-N 404.605 5.012 0 40 HKAB Cc1c(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)oc2ccccc12 7036891 HLWWSCNSGJHSTF-UHFFFAOYSA-N 403.463 5.002 0 40 HKAB Cc1ccc(CNCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 7537827 DGDNFASBSZYTKP-UHFFFAOYSA-N 401.937 6.670 0 40 HKAB COc1ccc(-c2cc(NC(=O)c3ccc(SC)cc3OC)ccc2OC)cc1 7638986 VCCAIDAETBLTEN-UHFFFAOYSA-N 409.507 5.354 0 40 HKAB Cc1ccc(-c2csc3nc(CN(C)[C@H]4CCCc5ccccc54)[nH]c(=O)c23)s1 7674340 KDJVQNSWYYRGAB-SFHVURJKSA-N 421.591 5.531 0 40 HKAB CCOc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Br)c1OCC 8253806 XAKSADRWZXMVDR-UHFFFAOYSA-N 408.380 5.161 0 40 HKAB CCOc1cc(CNC2CC2)cc(Br)c1OCc1ccc(Cl)cc1 8253935 OVSXTWDZUCAUNE-UHFFFAOYSA-N 410.739 5.332 0 40 HKAB CSc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1 9289137 AMXOAIWGOOGRLK-UHFFFAOYSA-N 423.925 5.891 0 40 HKAB CCCCN(CCCC)CCCNC[C@@H]1C(=O)O[C@H]2C[C@@]3(C)CCC[C@@H](C)C3=C[C@@H]21 9328112 FGNDTNHMDIFKKW-ISKHGZDKSA-N 418.666 5.183 0 40 HKAB CCCCN1C(=O)c2ccccc2[C@H]1c1c(-c2cccc(OC)c2)n(C)c2ccccc12 9355590 QSJGVFINEVQRQS-MHZLTWQESA-N 424.544 6.199 0 40 HKAB Fc1cccc(NC(=S)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)c1 9391138 QVDRTVCCZILDCO-LJQANCHMSA-N 420.340 5.736 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc(C(=O)Nc2ccc(F)c(Cl)c2)c1 10013953 MFDGZUOFBJDNIE-UHFFFAOYSA-N 421.230 5.776 0 40 HKAB CCCCCc1c(C)c2cc3c(-c4ccc5ccccc5c4)coc3c(C)c2oc1=O 11691918 GTHDAEARZKUQMF-UHFFFAOYSA-N 410.513 7.709 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3cccnc3)C[C@@H]21 12196115 KTOYHMFQSXAHEV-NZQKXSOJSA-N 407.420 5.001 0 40 HKAB CC(C)C(=O)N1N=C(c2cc(Cl)ccc2Cl)C[C@H]1c1ccc2nccnc2c1 12321261 QGVWWJOLVNYEOX-FQEVSTJZSA-N 413.308 5.270 0 40 HKAB O=C1Nc2ccccc2/C1=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 12628057 XASIAGYWHIEUJH-WQRHYEAKSA-N 424.269 5.660 0 40 HKAB CCCn1c(NC(=O)c2csc(COc3ccc(C)cc3)n2)nc2ccccc21 12700470 LNYKKGFQKOYVEY-UHFFFAOYSA-N 406.511 5.043 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H](N[C@@H](C)c1cc2ccccc2o1)c1ccccc1 12813617 IFMNCHLWKKYWJI-AVRWGWEMSA-N 414.505 5.780 0 40 HKAB Cc1ccc(COc2ccc(/C=C3\N=C(c4ccccc4Cl)OC3=O)cc2)cc1 13925149 SGEAKKBTGPKQNM-HMAPJEAMSA-N 403.865 5.572 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccccc2)cc1)c1ccco1 15277027 FKBGJYRLLHOPDW-UHFFFAOYSA-N 423.390 7.010 0 40 HKAB Cc1c(O)ccc2c(CN3CCc4sccc4[C@@H]3c3cccs3)cc(=O)oc12 15548768 HQCIOLMMCVAIEY-OAQYLSRUSA-N 409.532 5.078 0 40 HKAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccc4F)ccc3c2C)cc1 15729364 UXVNHOHTGYPZQF-UHFFFAOYSA-N 403.409 5.372 0 40 HKAB biogenic CCOc1ccc(NC(=S)Nc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)cc1 16215858 IVJNCWJJJXIPLR-UHFFFAOYSA-N 421.522 5.155 0 40 HKAB Fc1ccc(CNCc2cc(Br)ccc2OCc2ccccc2F)cc1 16450012 GSEMSHLMVPYTLA-UHFFFAOYSA-N 418.281 5.596 0 40 HKAB Cn1c(SCC(=O)c2ccc3ccccc3c2)nc2sc3c(c2c1=O)CCCC3 16713387 IVOILYOPEITISS-UHFFFAOYSA-N 420.559 5.002 0 40 HKAB O=c1nc2n(c3ccccc13)[C@@H](c1ccccc1)[C@@H](Sc1ccccc1)CS2 16779195 IFVWUTLPCSOGGZ-SFTDATJTSA-N 402.544 5.253 0 40 HKAB Cc1cc(C)c(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)c(C)c1 16994029 SKKBKQNWOJUSEX-UHFFFAOYSA-N 402.523 5.052 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(Cl)c3Cl)o2)cc1Cl 17087493 WEVNRVCIVGYNMR-CSKARUKUSA-N 406.696 6.867 0 40 HKAB O=C(Cc1ccc(Cl)cc1)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1 17155749 SORHPEHZBXEEHX-UHFFFAOYSA-N 424.875 5.384 0 40 HKAB C1=C(CCNc2nc(Nc3ccccc3)c3cnn(-c4ccccc4)c3n2)CCCC1 17190763 RWSSRSUBYRPUQN-UHFFFAOYSA-N 410.525 5.862 0 40 HKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 19119306 FIOPQMPSUYZRIE-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB CC(C)Nc1ncc(-c2cccnc2)c(C2CCN(Cc3ccc(F)c(F)c3)CC2)n1 19450323 BERFZHGJTCROJU-UHFFFAOYSA-N 423.511 5.017 0 40 HKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CSc2ccccc2)cc1 22527675 YEPOQBXABODXHF-NRFANRHFSA-N 411.954 6.428 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 25377741 OQIZCOCKDWLVBE-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB CC(=O)Nc1s/c(=N\c2ccccc2)n(Cc2ccccc2)c1-c1ccc(C)cc1 28405578 CIDILMLFPXVUBI-RFBIWTDZSA-N 413.546 5.764 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2cc(C)cc(C)c2)cc1 33670966 JBSOREXIRZVCCY-UHFFFAOYSA-N 417.933 5.800 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 35684664 DGPKKSHCSHONBP-MRXNPFEDSA-N 401.253 5.028 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)N(Cc1cccnc1)C[C@@H]1CCCO1 48299679 KOVJBVFXVXPPFQ-NRFANRHFSA-N 403.482 5.087 0 40 HKAB Clc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3cc(Cl)ccc3o2)cc1 68603144 MOYBCSZRLCXOJO-UHFFFAOYSA-N 406.272 6.654 0 40 HKAB biogenic BrC1(Br)[C@@H]2CC3=CC[C@@]21CCCCCCCCCCCC3 71785836 RJLWWTDGDILRQF-MSOLQXFVSA-N 418.257 7.504 0 40 HKAB COc1ccc(NC(=O)C(C)(C)Oc2ccc([C@@H]3CC3(Cl)Cl)cc2)c(OC)c1 72405394 UDLNXFOOMFWHKO-INIZCTEOSA-N 424.324 5.161 0 40 HKAB Cc1n[nH]c(C)c1CCC(=O)NCC[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 96232112 BGYRASGTHUEPQH-JOCHJYFZSA-N 413.924 5.090 0 40 HKAB COc1ccccc1[C@H]1C[C@@H]2CC[C@@H]([C@@H]1OC(=O)c1ccco1)N2Cc1ccccc1 100463481 ZHLJKTQAWJWBRF-XIXAVDCQSA-N 417.505 5.034 0 40 HKAB Clc1cc(CNc2ccc(Br)cc2)ccc1OCc1ccccc1 106979960 SEGZGWKYVBYHAJ-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB CCCOc1c(Br)cc(CNc2ccc(C)c(Cl)c2)cc1OCC 106993367 HJMFIAFWSWBANH-UHFFFAOYSA-N 412.755 6.211 0 40 HKAB CCOc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1F 107042289 VFWNZXRLHYOCEB-UHFFFAOYSA-N 413.920 6.686 0 40 HKAB COc1c(C)cccc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 107606959 GXGVVEFLGXJFTH-UHFFFAOYSA-N 419.864 5.683 0 40 HKAB Cc1cccc(C)c1N(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 107959097 YMVAOHOCDGLTPY-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB CC(C)NC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 219764157 SAWWGMOIDHSHQN-UHFFFAOYSA-N 422.912 5.310 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCCc2ccccc21 222942689 ALBKVGPHKOLBTK-DEOSSOPVSA-N 408.586 5.101 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1C1CCCCC1 223120043 LHIQZKVYHUVGAX-GOTSBHOMSA-N 408.615 5.694 0 40 HKAB O=C(NCc1ccccc1CN1CCCC1)c1ccccc1SCc1ccccc1 224777693 NNYHFQAQFIKBJY-UHFFFAOYSA-N 416.590 5.505 0 40 HKAB Nc1c(-c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)nn1-c1cccc(Cl)c1 225180589 WGVHORUEFOTKTM-UHFFFAOYSA-N 406.622 6.101 0 40 HKAB Fc1cccc(F)c1NC(=S)NCCSCc1c(Cl)cccc1Cl 225365132 GQVGLSJOIGAEBB-UHFFFAOYSA-N 407.338 5.491 0 40 HKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225615520 WMPWOKSDEHALDM-UHFFFAOYSA-N 418.622 5.357 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCCCC3)cc2)CCCCC1 225657434 AONSTEFTBDXYGN-UHFFFAOYSA-N 402.579 5.009 0 40 HKAB Cc1ccc([C@H](NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)C(C)C)c(C)c1 225766270 KTATUWKWMIVNCS-HSZRJFAPSA-N 423.626 5.613 0 40 HKAB COc1ccccc1NC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 225767893 YWOWIMARHKAVDB-UHFFFAOYSA-N 417.509 5.889 0 40 HKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccccc2C(C)C)c1Cl 408623303 SPZHNEYYDLZOIM-UHFFFAOYSA-N 400.733 6.405 0 40 HKAB CCCc1nc(S/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)O)n[nH]1 408630574 BZJZFJJCLSDJIQ-DHDCSXOGSA-N 424.309 5.542 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccc(F)cc2)c1 408695626 RRUVCUUUBCHVQN-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)cc3C)n2)cc1 408696194 XOSZWMYIYVXRGQ-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cccc(C(C)=O)c4)o3)S2)cc1 408767553 MMEHQAUOKDSHKK-IGSWSUAKSA-N 418.518 5.311 0 40 HKAB O=C1S/C(=C/c2cc(Cl)cc(Cl)c2O)C(=O)N1c1cccc(Cl)c1 409209646 GZNOFBCRBMNMMV-WLRTZDKTSA-N 400.670 5.593 0 40 HKAB COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409371555 XDFPKODHUVJKKI-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB Cc1cc2oc(-c3cc4c(cc3C)C(C)(C)[C@H](C)CC4(C)C)c(CC(=O)O)c2c(O)n1 604404441 NKJHMELUFNGNED-CQSZACIVSA-N 421.537 6.039 0 40 HKAB biogenic CC(=O)N1CCCCCCCCN(C(=O)Cc2ccc(C)cc2)Cc2ccccc21 643553344 NBLWQIRGPQDJOH-UHFFFAOYSA-N 406.570 5.273 0 40 HKAB O=C(C1CCCCC1)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 2037845903 HDTWPXKUSOGYJB-GOSISDBHSA-N 422.960 5.336 0 40 HKAB Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)cc1C 865321 CVNBCEPIXGGLGB-MJGOQNOKSA-N 414.431 5.413 0 40 HKAB c1ccc(CSc2nnc(CCc3nc4ccccc4[nH]3)n2-c2ccccc2)cc1 924633 NUVXTBGCEPPRFI-UHFFFAOYSA-N 411.534 5.221 0 40 HKAB CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)/C=C/c2ccccc2)c2ccccc21 1064515 RKNQSFIXDXLHEM-JHATUCIOSA-N 410.517 5.619 0 40 HKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=O)Nc3ccc(F)cc3)C3CCCC3)cc12 1371608 PWCJZOBOYKMOEM-UHFFFAOYSA-N 407.489 5.261 0 40 HKAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NCc4ccccc4)c23)C1 1377258 ONGRTCGAFZMFNY-AWEZNQCLSA-N 423.607 5.102 0 40 HKAB COc1ccc(NC(=S)Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 1444699 ZIZBTDMPHARYJA-UHFFFAOYSA-N 412.898 5.377 0 40 HKAB O=C(CC[C@H](C(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1)c1ccccc1 1719285 RCNHKLMWQAUFDP-MHZLTWQESA-N 404.509 6.983 0 40 HKAB CC(C(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 1737125 YYQKVOHHNIZZRC-UHFFFAOYSA-N 406.096 5.514 0 40 HKAB Cc1ccc(C)c(C(=O)COC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)c1 1858722 MGYGJCGQRQWMMG-UHFFFAOYSA-N 423.512 6.175 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccccc4F)c3)nc2c1 1864778 UQEATQLQIPIDBB-AWEZNQCLSA-N 422.887 7.053 0 40 HKAB COC(=O)C1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccc(Cl)cc1Cl 2300592 DLFCPTOUKFXPSL-QGZVFWFLSA-N 400.261 5.014 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(N3CCCc4ccccc43)sc2Cl)cc1 2700851 KAAKTHNTXWPLKC-UHFFFAOYSA-N 404.944 5.022 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)sc2c1CC[C@@H](C)C2 2734333 ZWMNDYQBRVWXTH-CHWSQXEVSA-N 421.946 5.109 0 40 HKAB Cc1cccc(N2CCN(c3cccc(C)c3)C2c2ccc(Br)cc2)c1 3088202 UKXGNBKTWNAAIQ-UHFFFAOYSA-N 407.355 6.091 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1c(F)cccc1F 3267533 JCNPACLLFYOONS-UHFFFAOYSA-N 401.434 5.431 0 40 HKAB CCOc1ccc(C(C)=O)cc1CSc1nnc(C2CC2)n1Cc1ccccc1 3285031 YSPKKQIRKJOASL-UHFFFAOYSA-N 407.539 5.097 0 40 HKAB CCOc1ccc(NC(=S)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 3388496 YSFYDWDTIIHILU-QGZVFWFLSA-N 419.550 5.385 0 40 HKAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)o1 3613977 ZHQBVRLLYNDAGB-FZKQIMNGSA-N 400.931 5.675 0 40 HKAB O=S(=O)(Nc1ccc(/C=C/c2nc3ccccc3s2)cc1)c1ccc(F)cc1 3997579 IVXJGKPIKZXXAD-VGOFMYFVSA-N 410.495 5.407 0 40 HKAB O=C(CSc1ccc(Cl)cc1)N1OC[C@H]2COc3ccc4ccccc4c3[C@@H]21 4040103 MXVWFHDTTFTQLY-IVZQSRNASA-N 411.910 5.109 0 40 HKAB C[C@H](Oc1cccc(Br)c1)C(=O)NC1CCCCCCCCCCC1 4071394 HHDKCFIGFAMEAZ-KRWDZBQOSA-N 410.396 6.006 0 40 HKAB COc1ccccc1[C@@]1(CCN(C(C)=O)[C@@H](C)c2ccccc2)CCO[C@H](C(C)C)C1 4073192 BLORJSGUUHAICH-PUUVEUEGSA-N 423.597 5.768 0 40 HKAB CCOc1ccc(CNCC[C@@]2(CCC(C)C)CCO[C@@H](C(C)C)C2)cc1OC 4073722 KNNBNGASMJWSSX-RPBOFIJWSA-N 405.623 5.831 0 40 HKAB biogenic C[C@@H](c1nnc(SCc2c(F)cccc2Cl)n1-c1ccc(F)cc1)N(C)C 4490907 IXOZJTKFCMKJOZ-LBPRGKRZSA-N 408.905 5.114 0 40 HKAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 4624023 WDUKRRJOWPVAQK-UHFFFAOYSA-N 412.533 5.986 0 40 HKAB CCCCCCSc1nnc2c(n1)O[C@H]([C@H]1CC=C(C)C[C@@H]1C)Nc1ccccc1-2 4631148 ARMZDRAAYLROFH-NPPFBWRTSA-N 424.614 6.334 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(NC(=O)COc3cc(C)ccc3C(C)C)cc2)c1 4680501 QNLXGYHGDGAAFJ-UHFFFAOYSA-N 416.521 5.697 0 40 HKAB COc1ccccc1/C=C/c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl 5235198 PWFLGAYHBFVVTF-ACCUITESSA-N 409.316 6.570 0 40 HKAB Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3C/C=C\c3ccccc3)CC2=O)c1 5235924 CIEFLHQSSQOJIJ-JXOZOUPFSA-N 421.544 5.887 0 40 HKAB C[C@@H](NC(=O)Cc1ccccc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 5545767 GIEIGKZSUPVGIX-QGZVFWFLSA-N 403.913 5.158 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(Nc1ccc(N(C)C)cc1)c1ccccc1 5570341 MTFNCAWTWQWUQM-ORTFCINOSA-N 414.530 6.161 0 40 HKAB O=C1/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)Cc2ccccc21 6495926 OCVSIUWMBXJJIA-XDHOZWIPSA-N 405.291 5.851 0 40 HKAB CCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCC)cc1 6752990 OUCXVQLXPDBSAK-DEOSSOPVSA-N 419.525 5.307 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(OCc2ccccc2Cl)cc1 7699668 IATOHUXRZOXDOG-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1 8157116 XAQKRHMOTYWRNO-VWLOTQADSA-N 409.489 5.331 0 40 HKAB Cc1cc(CSc2ncccc2C(=O)Nc2ccc(-c3ccccc3)cc2)no1 8184576 LUITVECGFIOIOC-UHFFFAOYSA-N 401.491 5.590 0 40 HKAB C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 9833724 HDFPNYPNJFVTRL-NRFANRHFSA-N 400.522 5.269 0 40 HKAB CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccccc3F)n2)cc1 12442160 ZEKMYOLJOXGTRH-UHFFFAOYSA-N 422.485 5.094 0 40 HKAB COc1ccc(NC(=O)[C@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 12623775 JFQCIDYLOBVIIE-HXUWFJFHSA-N 401.384 5.473 0 40 HKAB O=c1oc2cc(Oc3nc(-c4cccnc4)nc4ccccc34)ccc2c2c1CCC2 12818017 BIQGDLALRYFLCV-UHFFFAOYSA-N 407.429 5.079 0 40 HKAB CCCn1c(-c2ccc3c(c2)OCCO3)cs/c1=N\c1ccc(Cl)c(Cl)c1 14356916 JONSRCISGAFSFL-ATJXCDBQSA-N 421.349 5.937 0 40 HKAB O=C(O)c1ccc(CNCc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 16525966 BSKKMIQOZCCOCA-UHFFFAOYSA-N 415.464 5.546 0 40 HKAB Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)nc1-c1ccc(Cl)cc1Cl 17088780 LUZPWWQCBNURSF-RYUDHWBXSA-N 411.310 5.031 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CC12CC3CC(CC(C3)C1)C2 18322731 LMUGMGXUCDYYGJ-YEHPOXMJSA-N 423.556 5.095 0 40 HKAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1OC 20450219 MHCMZOZBOYWNIK-MRXNPFEDSA-N 409.507 5.615 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 20454546 ASZTWBSOJAZVOM-OXJNMPFZSA-N 417.571 5.097 0 40 HKAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(C[C@H](C)c1ccccc1)CO2 20610389 UPLOAVXAHJOQJB-SFHVURJKSA-N 411.501 5.724 0 40 HKAB biogenic O=C(NCc1ccccc1CN1CCCC1)c1ccccc1SCc1ccsc1 21962553 NZICJITUWGYVGY-UHFFFAOYSA-N 422.619 5.566 0 40 HKAB COc1ccc(C(=O)N[C@H](Sc2ccc(Cl)cc2)C(=O)c2ccccc2)cc1 27016126 UDQHAQSIMYVBKU-JOCHJYFZSA-N 411.910 5.080 0 40 HKAB CCN(CC)[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(C(C)C)cc1 32624193 IUVHGMTXLTVVJH-HXUWFJFHSA-N 411.571 5.339 0 40 HKAB Cn1ccnc1/C=C(/OC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1 33926829 IVZBPGCHFUDYTO-PTGBLXJZSA-N 416.565 6.370 0 40 HKAB CCOC(=O)c1c(C)sc2c1N(C(=O)CCN(CC)CC)c1ccccc1S2 34132544 TXTSECMOYBHBLK-UHFFFAOYSA-N 418.584 5.094 0 40 HKAB COc1ccc(N(C)C(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1OC 64323507 OGHLALURMDQWRI-UHFFFAOYSA-N 410.520 5.319 0 40 HKAB Cc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1 67289800 TVAQBYYGCSOOFQ-UHFFFAOYSA-N 402.523 5.052 0 40 HKAB O=C(CSC1=NC2(CCCCCC2)Nc2ccccc21)Nc1ccc(F)cc1F 67341370 XXTHOYFINSFROI-UHFFFAOYSA-N 415.509 5.559 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)C=C1CCC(C)CC1)CC2 72285118 DCJOTMUWBXLLJM-ODOSRFNGSA-N 411.567 5.376 0 40 HKAB COc1ccccc1-c1nc(C(=O)Nc2cccc(Oc3ccncc3)c2)cs1 78991889 VBQDNWXLURTQIE-UHFFFAOYSA-N 403.463 5.258 0 40 HKAB Cc1ccc2c(-c3cc4c(CN(C)Cc5ccccc5)cnc(C)c4o3)cc(=O)oc2c1 95475512 ZDDIYWGIPOJRSW-UHFFFAOYSA-N 424.500 5.850 0 40 HKAB N[C@H](CCCCCCCCCC(=O)O)C(=O)OCC1c2ccccc2-c2ccccc21 95944492 BMTWHPRKIVHWBW-XMMPIXPASA-N 423.553 5.265 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)COc2ccc3ccccc3c2Br)cc1C 218907336 AFCWTQMTQHUYQL-MRXNPFEDSA-N 412.327 5.475 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 219353341 WVCCLFKYJLABGR-FQEVSTJZSA-N 421.884 5.017 0 40 HKAB CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1 222708523 ZSBYUJJUMMWVLN-MQNAVGNWSA-N 418.566 5.250 0 40 HKAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223475615 NTMNAXUKEHEGRU-RUZDIDTESA-N 422.544 5.312 0 40 HKAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(C)C)c2)c1 224135930 MATVAOFEZHWTQU-UHFFFAOYSA-N 422.550 5.196 0 40 HKAB COc1cccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)(C)C)c2)c1 224171006 ZULDOJUKMUCEGX-UHFFFAOYSA-N 419.521 5.833 0 40 HKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 225123579 ALGBCILFKIAKLK-RUZDIDTESA-N 420.597 5.102 0 40 HKAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1ccc2c3c(cccc13)CC2 225202457 YQNGNJMRHVBTAG-JLPGSUDCSA-N 422.484 5.249 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)NC2(CCc3ccccc3)CCCC2)c1 225864473 QMRKXPOEOVIGLG-UHFFFAOYSA-N 410.583 5.404 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(Cl)c2nc(N)sc2c1 226312116 AACCDYCCCJWXEP-ZETCQYMHSA-N 416.717 5.245 0 40 HKAB COc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 227147618 ZTRGNKKGTNOLFK-UHFFFAOYSA-N 421.678 5.206 0 40 HKAB CCc1s/c(=N\C(=O)c2ccccc2Cl)n(CC)c1-c1ccc(Cl)cc1 408562685 RISNJSDOQSCSDZ-ATJXCDBQSA-N 405.350 5.847 0 40 HKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(Br)cc2)cc1 408578789 AXEZBHBAYXANCR-UHFFFAOYSA-N 401.329 5.696 0 40 HKAB CSc1cccc(NC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn23)c1 408675317 HKGUSBFYNYPOHE-UHFFFAOYSA-N 400.503 5.458 0 40 HKAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 408706279 ZDGNGFOPTAWJSG-NRFANRHFSA-N 411.885 5.937 0 40 HKAB COc1ccc2c(c1)CCc1sc(NC(=O)c3ccc(-c4ccccc4)cc3)nc1-2 409054942 WPQIFVHZCCDFDQ-UHFFFAOYSA-N 412.514 5.837 0 40 HKAB CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C1=O 409070434 GIIGHCWHFQVGPR-GZTJUZNOSA-N 418.312 5.084 0 40 HKAB Cc1cccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)c1C 409109470 FOQMXOFQVZZHRX-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB Cc1ccc(C)c(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c1 409110696 XUBPRFBIQCOTQN-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB COc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1 409258313 WFMJACZPFSOMDI-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB Cc1cc(C)c2cc(CN(C(=S)Nc3ccccc3)C3CCCC3)c(=O)[nH]c2c1 874955 YTVATBQODBFEPA-UHFFFAOYSA-N 405.567 5.287 0 40 HKAB Cc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F 1380138 ZDJCFSMMFYXIGM-HSZRJFAPSA-N 420.484 5.174 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(CC)ccc4o3)cc2)cc1 1413970 GBNTUDSSQPXUNW-UHFFFAOYSA-N 400.478 5.637 0 40 HKAB Clc1ccc(CN2CCCN(Cc3ccc(Cl)c(Cl)c3)S2)cc1Cl 1571671 BIHDVBVJWPOXHB-UHFFFAOYSA-N 422.208 6.571 0 40 HKAB CCc1ccc(-c2cc(C(=O)Nc3nc4ccccc4s3)c3ccccc3n2)cc1 2083738 QOLKQJQHONNZAK-UHFFFAOYSA-N 409.514 6.326 0 40 HKAB Cc1ccc([C@@H](CC(=O)Nc2cccc3ccccc23)c2ccc(OC(C)C)cc2)cc1 2247674 NIBMBZUOECCSRY-HHHXNRCGSA-N 423.556 7.096 0 40 HKAB Clc1ccc(-c2csc(-c3cc(Cl)nc(Sc4ccccn4)c3)n2)cc1 2559309 ARNYKGAZNOAANB-UHFFFAOYSA-N 416.358 6.725 0 40 HKAB O=C(C[C@@H](Sc1ccc(Cl)cc1)C(=O)O)c1ccc(C2CCCCC2)cc1 2570965 UTDWHKHTQVYLAL-OAQYLSRUSA-N 402.943 6.206 0 40 HKAB Cc1ccc(Sc2c(C)nn(-c3ccccc3)c2OC(=O)c2cccc(F)c2)cc1 2718535 QEFKGKYUHSSVBF-UHFFFAOYSA-N 418.493 5.999 0 40 HKAB CCOc1ccccc1N(C(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1 3227226 FZOPCYSLZZLLDN-UHFFFAOYSA-N 408.910 6.327 0 40 HKAB O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccc(Br)cc1 3271937 JMGLXCVPDMAJMP-UHFFFAOYSA-N 422.363 5.100 0 40 HKAB COc1ccc(Nc2nnc(SCc3csc(-c4ccccc4)n3)s2)cc1 3287563 GFDRCXUUXXVSGY-UHFFFAOYSA-N 412.565 5.706 0 40 HKAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1sc2cc(F)ccc2c1Cl 3335597 MGNWDDCNJHMGFY-UHFFFAOYSA-N 401.812 5.685 0 40 HKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)ccc21 3341095 FWZLWDUZESNKEF-UHFFFAOYSA-N 420.578 6.221 0 40 HKAB O=C(COC(=O)c1ccccc1Oc1ccccc1)c1cccc(Br)c1 3343342 WKNKATZTCZEBDT-UHFFFAOYSA-N 411.251 5.281 0 40 HKAB Cc1ccc(-c2csc3ncnc(Oc4ccccc4Cc4ccccc4)c23)cc1 3425397 MLYJBNXDMCBHDK-UHFFFAOYSA-N 408.526 7.050 0 40 HKAB CCOC(=O)c1c(C)n(CCSc2ccccc2)c2c1cc(O)c1ccccc12 3624035 FNGMJPPOOQCWOP-UHFFFAOYSA-N 405.519 5.778 0 40 HKAB O=C(Nc1ccc(F)cc1)c1oc2ccccc2c1NC(=O)c1c(F)cccc1F 4251629 NBNXROWRJOPWTD-UHFFFAOYSA-N 410.351 5.355 0 40 HKAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3cccc4ccccc34)c3ccccc32)cc1 4555154 UFMYVYKLSGLTCM-NDEPHWFRSA-N 421.496 5.156 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3cccnc3)C[C@H]21 4715650 KTOYHMFQSXAHEV-NFBKMPQASA-N 407.420 5.001 0 40 HKAB C[C@H](CCC(=O)c1ccccc1)[C@H]1CC[C@H]2[C@H]3CC[C@H](CCO)C[C@@H]3C[C@@H](O)[C@@]21C 4758469 XABOCDPPAPNLAE-SRTZEIRYSA-N 412.614 5.498 0 40 HKAB Cc1ccc(-c2nnc(SCc3c(C)noc3C)nc2-c2ccc(C)cc2)cc1 4766845 FXMMQGXLTPMWKO-UHFFFAOYSA-N 402.523 5.720 0 40 HKAB Clc1cccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCCO5)c1 4969992 RDXSNMXLVOZCHS-UHFFFAOYSA-N 413.864 5.665 0 40 HKAB Fc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO2)cc1 5016999 BBTLUSKMKIQYHQ-GOSISDBHSA-N 403.910 5.209 0 40 HKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2F)cc1C 5107032 ROCBJTPLQOZTRQ-UHFFFAOYSA-N 402.425 5.693 0 40 HKAB Cc1cccc(-c2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@H]4c2ccccc2)c1 5149137 UOXCXKYRZANZGY-OAQYLSRUSA-N 406.445 5.091 0 40 HKAB COc1cc(CNCc2ccccc2Cl)ccc1OCc1ccc(Cl)nc1 5205728 JFPAGMJGVABGQE-UHFFFAOYSA-N 403.309 5.266 0 40 HKAB O=C(Cc1ccccc1)Nc1oc2ccccc2c(=O)c1-c1cccc2ccccc12 5345445 ULYYWZUKRVHWLM-UHFFFAOYSA-N 405.453 5.794 0 40 HKAB CCOc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1 5460655 DRZDJOJFYKJFFQ-FYYLOGMGSA-N 403.913 6.235 0 40 HKAB CC(=O)O[C@@H]1C/C=C(\C)CCCC(C)(C)[C@H](OC(=O)c2ccc(O)cc2)/C=C/1C 5638779 OLNKZJLTVQZYLK-QUNOWOBBSA-N 400.515 5.342 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2)cc1OCC 6338697 GKGCGPSMBATCKQ-UHFFFAOYSA-N 412.711 5.542 0 40 HKAB Cc1c(CC(=O)NCCc2ccsc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 6662562 BGKGDTXWQSLGSU-UHFFFAOYSA-N 423.534 5.108 0 40 HKAB COc1ccccc1C(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(C)=O)c2ccccc21 6670410 YSXYKAJYZLYKNL-MHECFPHRSA-N 414.505 5.228 0 40 HKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc5ccccc5c4)cc3n2)cc1 6710039 XJICVIQAQXFULV-UHFFFAOYSA-N 406.489 5.697 0 40 HKAB Fc1cc2c(c(CSc3nnc(-c4ccco4)o3)c1)O[C@@H](c1ccccc1)OC2 6943803 VKKFQDIWLBHHGM-FQEVSTJZSA-N 410.426 5.369 0 40 HKAB Nc1cccc(NC(=O)c2ccccc2C(=O)N(c2ccccc2)c2ccccc2)c1 7468410 JPRQIGSSIRFFRD-UHFFFAOYSA-N 407.473 5.500 0 40 HKAB S=C(Nc1ccccc1)Nc1nc2ccccc2n1CCOc1ccccc1Cl 9113021 FMMHFWAHLGKVQS-UHFFFAOYSA-N 422.941 5.578 0 40 HKAB Cc1cc(C)nc(Nc2ncc(-c3ccc4ccccc4c3)n2-c2ccc(C)c(C)c2)n1 10381840 GDLAMCCOQYATTI-UHFFFAOYSA-N 419.532 6.460 0 40 HKAB CCOC(=O)c1cccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1 10440869 LTJJAEKQJBFBHF-UHFFFAOYSA-N 405.519 5.716 0 40 HKAB CN(C(=O)OCc1ccccc1)[C@@H](CN1CCCC1)c1cc(Cl)cc(Cl)c1 12651040 ODTTVNAVWYUGKP-FQEVSTJZSA-N 407.341 5.399 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H](C)Oc1ccccc1Cl 13709793 CCQBIFAPETXFRG-QGZVFWFLSA-N 411.954 6.347 0 40 HKAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)N(C1CC1)C(c1ccc(F)cc1)=N2 14017537 GFJKYTOTUNFCFO-VWLOTQADSA-N 422.507 5.966 0 40 HKAB Cc1c(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c2ccccc2n1C 15009091 OGWODVHFKQVKOD-VXLYETTFSA-N 414.889 5.516 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl 16449428 ZPJHQVOKZGUKSJ-UHFFFAOYSA-N 419.695 6.522 0 40 HKAB CCOc1ccccc1CNc1ccc([C@H]2c3ccsc3CCN2C(C)=O)cc1 19520209 VGDHQLKHHSJZMP-DEOSSOPVSA-N 406.551 5.253 0 40 HKAB Cc1nc(NCc2ccccc2OC(C)C)cc([C@@H](C)Cn2nc(C)c(C)c2C)n1 19717919 MJMLLLSTNYDMQE-INIZCTEOSA-N 407.562 5.110 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(-c2ccc(CO)o2)ccc1C 20141348 NTYRXAKAMTVTCW-UHFFFAOYSA-N 406.265 5.315 0 40 HKAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1cc(C)cc(C)c1 21787482 GBSJCHNYQXWLQQ-XMMPIXPASA-N 405.542 5.196 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccccc2C(F)(F)F)o1 31789596 HSCLOGNGQPCBRV-UHFFFAOYSA-N 401.344 5.298 0 40 HKAB CCc1cccc(C)c1NC(=O)CSc1nnc2c(n1)-c1cccc3cccc-2c13 35291157 DZUREZYEXNKBLL-UHFFFAOYSA-N 412.518 5.274 0 40 HKAB Cc1cc(-c2csc(NC(=O)C3(c4cccc(F)c4)CCOCC3)n2)c(C)s1 35317039 ANTIOEPKUDNZLR-UHFFFAOYSA-N 416.543 5.314 0 40 HKAB Cc1cccc(Cn2c3ccccc3c3ncn(Cc4ccccc4Cl)c(=O)c32)c1 35400286 OIRUDHHSFMQYCA-UHFFFAOYSA-N 413.908 5.410 0 40 HKAB CCc1cccc(CC)c1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38856222 OOBVPJNPPKXOED-UHFFFAOYSA-N 419.396 5.969 0 40 HKAB Cc1ccc(-c2nnc(CCC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)o2)cc1 40118517 UYDTUUPZJLQLER-QHCPKHFHSA-N 407.489 5.164 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(F)cc(F)c1 49005141 QGKIDAOLUNAWKE-GOSISDBHSA-N 410.468 5.365 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)o2)c1 57462822 SDSVTSVGWVIJLQ-UHFFFAOYSA-N 413.587 5.631 0 40 HKAB Cc1csc(-c2ccc(C(=O)O[C@H](c3cccc(F)c3)c3ccccn3)cc2)n1 65577781 IUCFVGQQOYLCFL-OAQYLSRUSA-N 404.466 5.599 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2F)c(C)c1 67297243 PYUBYZUROXPKPL-COOPMVRXSA-N 420.871 6.327 0 40 HKAB C[C@@]1(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1(Cl)Cl 69004252 CYLBERUSNKOPMB-YWZLYKJASA-N 421.755 5.653 0 40 HKAB Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c1 72307387 JZUDVXZUMKKEIA-HXUWFJFHSA-N 410.539 5.299 0 40 HKAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1 72380260 JKTFTQOZVRQMNX-INIZCTEOSA-N 400.309 5.403 0 40 HKAB CC(C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2NCC2CCCCC2)CC1 84370511 OPVQPGPDDYQUTA-UHFFFAOYSA-N 419.997 5.165 0 40 HKAB CCOc1ccc([C@@H]2CCCN2S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 141524150 GLAFPJHEBOYVHC-IBGZPJMESA-N 414.354 5.059 0 40 HKAB CC(C)c1ccc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 205662472 BSKJMCOITGBOIX-FBCYGCLPSA-N 415.898 5.429 0 40 HKAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 214425899 YOWGUTXIXSELLX-CAOOACKPSA-N 422.289 5.155 0 40 HKAB Cc1cc(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1Br 218825185 QAWRILUHFXTQIW-OAHLLOKOSA-N 404.348 5.311 0 40 HKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1c(F)cccc1Cl 222983109 WJTCOZSPCCVNPC-FQEVSTJZSA-N 409.954 5.303 0 40 HKAB Cc1cc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)ncc1Br 223982037 FMQQZVWYRZCJRW-UHFFFAOYSA-N 422.367 5.090 0 40 HKAB Cc1cc(Cl)cnc1NC(=S)NCC1(c2cccc(Cl)c2)CCCCC1 224002047 KTPUVTRGPAIHOE-UHFFFAOYSA-N 408.398 5.885 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 224210009 CCLCBINVJHOVNN-RPWUZVMVSA-N 410.546 5.358 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1CSc1ccccc1 224653569 HJXPVBHLEIOJML-UHFFFAOYSA-N 423.534 5.647 0 40 HKAB CCC1(CC)C[C@H](NC(=O)c2ccc(Cn3ccnc3C)cc2)c2ccccc2O1 225296267 UZSQVQMRXKCNGC-QFIPXVFZSA-N 403.526 5.052 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(Br)cc2C)cc(Cl)c1OCC 408555735 IEBATGYVVNGSBK-UHFFFAOYSA-N 412.711 5.461 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccccc2)cc1Cl 408696287 ZHQRWYJEQLRKTK-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1CNc1ccccc1Cl 408719754 QQDVJNRSNOVCOM-OQLLNIDSSA-N 423.719 5.208 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)N(CNc3cccc(C(F)(F)F)c3)C2=O)cc1 408729217 CXNAVRBXOUJTLP-LICLKQGHSA-N 422.428 5.210 0 40 HKAB CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Br)c(C)c2)cc1 408997895 PAOIFALKSSUCQX-JOCHJYFZSA-N 421.338 6.091 0 40 HKAB COc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(F)c1 409111627 DOVPLWGNYREEOC-UHFFFAOYSA-N 420.311 6.641 0 40 HKAB Cc1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)c(C)n1C1CCCC1 409141741 WOEGZCWNTTUBSQ-BKUYFWCQSA-N 408.523 5.139 0 40 HKAB Cc1ccc(CCc2nc(-c3ccc(Cl)cc3OC(C)C)ccc2C(=O)O)cc1 585265634 PWRZQJOALILUDM-UHFFFAOYSA-N 409.913 5.981 0 40 HKAB CC(C)=CCC[C@@]1(C)Oc2cc(-c3ccccc3C(=O)O)ccc2[C@@H]2OCCC[C@H]21 585265963 ZSSWRLQHKPXSOC-KTIWRFAQSA-N 406.522 6.417 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(COc2ccccc2Cl)o1 659039 ADPHUJYEFPFNOH-UHFFFAOYSA-N 419.864 6.557 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C(N)=O)C1 670669 SGFDIIDUPOLRIC-ZDUSSCGKSA-N 404.963 5.294 0 40 HKAB Cc1cc(C)c([C@@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc(Cl)cc2)c(C)c1 671531 KMOBLKNYAICKRA-JOCHJYFZSA-N 419.912 5.177 0 40 HKAB CC(C)N1C(=S)SC(C)(C)[C@@H]1N(O)C(=O)Nc1ccc(Cl)cc1Cl 711765 OEHJUEXRJWSZDI-LBPRGKRZSA-N 408.376 5.063 0 40 HKAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 882286 LZDOXTXPTZGCSX-HNNXBMFYSA-N 407.539 5.104 0 40 HKAB CCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCC)cc3)c(C)c2)cc1 1017088 PAQXHKSILFPHKN-UHFFFAOYSA-N 420.461 5.231 0 40 HKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=O)Nc3cccc(Cl)c3)C3CCCC3)cc12 1371606 SQJCMTHKFBEAAJ-UHFFFAOYSA-N 423.944 5.775 0 40 HKAB O=C(NC1CCCC1)c1ccc(-n2nc3c(c2-c2ccccc2F)CCCC3)cc1 1386302 WYBMFFOFBPDOKL-UHFFFAOYSA-N 403.501 5.230 0 40 HKAB Cc1ccc(S(=O)(=O)Oc2ccc(-c3ccc(Br)cc3)cc2)cc1 1621430 ARIZWDQIGUJAOE-UHFFFAOYSA-N 403.297 5.192 0 40 HKAB Fc1ccc(N2CCN(c3ccc(F)cc3)C2c2ccc(Cl)cc2Cl)cc1 2257353 HXCAOGBOCNKSGS-UHFFFAOYSA-N 405.275 6.297 0 40 HKAB COc1ccc(OC)c(S[C@@H](CC(=O)c2ccccc2)c2ccc(Cl)cc2)c1 2573730 BMBHHGDCPSSXEJ-QFIPXVFZSA-N 412.938 6.464 0 40 HKAB COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 2714041 ICWRHCRDWYTESD-UHFFFAOYSA-N 410.452 5.979 0 40 HKAB O=C(c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Oc1ccccc1 3134910 QJMXLHSUZQYGLE-UHFFFAOYSA-N 412.194 6.431 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(O)c2ccccc2c1O 3335259 HZIQKBIFJSJKBL-UHFFFAOYSA-N 421.493 5.293 0 40 HKAB Cc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)c(C)c1 4069863 MVJUYWMTBZTSOR-UHFFFAOYSA-N 400.503 6.472 0 40 HKAB C[C@@H]1C[C@@H](OC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]2C=C(Cl)C=C[C@@H]2S1 4110328 PCCPROCGFPNVMC-NWLYGAKOSA-N 403.853 5.825 0 40 HKAB O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCCC2)cs1)c1ccco1 4893703 UKLCPBGGTODAPV-UHFFFAOYSA-N 421.522 5.125 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(-c2nc3ncccc3o2)ccc1Cl 5590682 NZNKSMZFQOJMDX-BJMVGYQFSA-N 410.260 5.849 0 40 HKAB Cc1ccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nnc2-c2ccccc2)cc1C 5624138 CADYVXPPYXPXSP-UHFFFAOYSA-N 422.598 5.289 0 40 HKAB Cc1ccc(Nc2nc(COC(=O)c3nc(-c4ccccc4)oc3C)cs2)cc1 5689624 NXXHSCNWKPZVHU-UHFFFAOYSA-N 405.479 5.516 0 40 HKAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1 6127253 QUPGPPRUVHODKZ-UHFFFAOYSA-N 418.880 5.825 0 40 HKAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(Cl)c(C(F)(F)F)c1 6128135 HDNITMZDUSXKSZ-UHFFFAOYSA-N 404.775 5.111 0 40 HKAB COc1ccc(-c2csc(NC(=O)CC34CC5CC(CC(C5)C3)C4)n2)cc1OC 6232890 WXTDFIJEEMHWRI-UHFFFAOYSA-N 412.555 5.372 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(Nc3cccc(C)c3C)s2)c(Cl)c1 6331249 YNYNMDALKXOAGD-UHFFFAOYSA-N 418.975 5.591 0 40 HKAB Cc1ccc(C(SC[C@@H](N)C(=O)O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 6522483 GLGZDJARSLSKDT-HSZRJFAPSA-N 405.563 5.049 0 40 HKAB CCOc1ccc(-n2c(SCc3c(C)noc3C)nnc2-c2ccccc2)cc1 6605106 SMJMLHDTISCWTF-UHFFFAOYSA-N 406.511 5.230 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cccc(Cl)c1)c1ccccc1 6837849 BOJOTDHMCZCGQB-OAQYLSRUSA-N 409.869 5.194 0 40 HKAB O=C(Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1)c1ccccc1 8470877 RTBUHJKKUJWFQE-UHFFFAOYSA-N 408.457 5.984 0 40 HKAB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1cccc2ccccc12)c1ccco1 9486896 FBTKTSOETLHTKX-UHFFFAOYSA-N 415.832 6.112 0 40 HKAB COC(=O)c1cc(NC(=O)c2ccccc2SCc2ccccc2)ccc1Cl 10370108 BBKGHPZTPBRHQX-UHFFFAOYSA-N 411.910 5.671 0 40 HKAB CC(C)(C)c1ccc(-c2c/c(=N\Nc3ccccc3)c3cc(Cl)ccc3o2)cc1 12374272 ZUHKRGSWPJAKKM-XAYXJRQQSA-N 402.925 6.979 0 40 HKAB C[C@@H](NC(=O)NC1c2ccccc2Oc2ccccc21)c1ccc(Br)cc1 12401861 AKYBWSDYRSHGHI-CQSZACIVSA-N 423.310 5.705 0 40 HKAB O=C(COc1ncnc2scc(-c3ccccc3)c12)Nc1ccc(F)c(Cl)c1 12636528 XUWLCYVJEOCUKC-UHFFFAOYSA-N 413.861 5.168 0 40 HKAB CC[C@@H](NC(=O)c1ccc(SCc2cscn2)cc1)c1ccc(Cl)cc1 12924038 ZBTFXGOYUCSRPR-LJQANCHMSA-N 402.972 5.970 0 40 HKAB CC(=O)Nc1ccc(-c2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)c(C)s2)cc1 12938024 UUPOSALWGYERAB-UHFFFAOYSA-N 407.539 5.729 0 40 HKAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@@H]1CCCc2ccccc21 12941630 RVCYELUFAZYTAR-OAQYLSRUSA-N 400.526 5.039 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)c1 13810895 VACGZMOFKIXJDH-ISKFKSNPSA-N 424.878 6.477 0 40 HKAB COc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)ccc1OCc1cccc(C)c1 13928117 UVQJAWPAGWYQDE-BKUYFWCQSA-N 417.436 5.066 0 40 HKAB CC(=O)O[C@@H]1C[C@H](c2ccccc2)N(C(C)=O)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 15240525 MJHOCQLFVZWVFV-CWTOASCOSA-N 413.517 5.437 0 40 HKAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1 17089732 NDTGYKDCIYXEDP-KAMPRCONSA-N 413.974 5.245 0 40 HKAB C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)c2C(N)=O)C1 17090157 VZVHDNYFZCTPQY-NSHDSACASA-N 414.914 5.138 0 40 HKAB CCc1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 17094180 UVPJSVIPNSFNEO-ACCUITESSA-N 424.953 5.997 0 40 HKAB CC(C)(C)[C@@H]1C/C(=C\c2cccc(Cl)c2)c2nc3ccccc3c(C(=O)O)c2C1 19229884 NWARGEGVLYRRED-ABPVARSCSA-N 405.925 6.736 0 40 HKAB CC(=O)CSc1nc2cc(-c3cccc(C)c3)sc2c(=O)n1-c1ccccc1 19797165 HTSGZNUQJYIMLF-UHFFFAOYSA-N 406.532 5.104 0 40 HKAB O=c1c(-c2ccc3ccccc3c2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1 20503171 PHXDDHVGVJHDDK-GBXCKJPGSA-N 424.519 5.427 0 40 HKAB biogenic,in-vitro O=C1c2cc3ccccc3nc2N[C@H](c2cccc(Cl)c2)N1c1cccc(Cl)c1 20533939 DBTZIMBSAJRZBI-QFIPXVFZSA-N 420.299 6.313 0 40 HKAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccc(Cl)cc1Cl)CO3 20610064 JDQORPRVYUPAQV-UHFFFAOYSA-N 418.320 5.365 0 40 HKAB biogenic CCc1ccc(-n2nc3ccc(NC(=O)c4cccc(OCC(C)C)c4)cc3n2)cc1 20610179 SFMJSUUIAJPDDL-UHFFFAOYSA-N 414.509 5.270 0 40 HKAB CC(C)c1ccc([C@H]2CC(=O)c3cn4nc(-c5ccc(Cl)cc5)nc4nc3C2)cc1 20671760 ZNLGISIBZKCYCJ-GOSISDBHSA-N 416.912 5.481 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1cn(CC)c2ccc(C(F)(F)F)cc2c1=O 22236964 SVFDLHFOUACZBG-UHFFFAOYSA-N 416.443 5.417 0 40 HKAB FC(F)(F)c1ccc(-c2nc(CSc3nnc4n3CCCCC4)cs2)cc1 22517920 FAWXPAYTCYHTOW-UHFFFAOYSA-N 410.490 5.439 0 40 HKAB CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)C)cc1)N1CCCCC1 28291834 BJXMLFGHFJUXEK-XMMPIXPASA-N 408.586 5.556 0 40 HKAB Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 31393598 LADFDVSPZDEMQH-MRXNPFEDSA-N 409.536 5.227 0 40 HKAB COc1ccc(-c2noc(-c3ccccc3NC(=O)c3cccc(Cl)c3)n2)cc1 32622880 PSFXUTHNSSJINO-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 32623195 QRVVQFUZPPDNQG-AWEZNQCLSA-N 421.403 5.088 0 40 HKAB Cc1cc(C)cc(N(C(=O)CCc2c(C)noc2C)c2nc3ccccc3s2)c1 32674423 BLQRAKGHGPXVLM-UHFFFAOYSA-N 405.523 5.815 0 40 HKAB Cc1nc(CSc2ccccc2C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)no1 32905843 ZHPDKPQAMLTCBA-NSHDSACASA-N 422.337 5.468 0 40 HKAB OCc1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1 34772831 VISZODWVDKHBQH-UHFFFAOYSA-N 422.116 5.436 0 40 HKAB O=C(Nc1cccc(C2SCCCS2)c1)N1CC=C(c2ccc(O)cc2)CC1 43833022 QUHIORDUHYRPTC-UHFFFAOYSA-N 412.580 5.582 0 40 HKAB Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccccc2C)n1 67294830 ZOLMEXUDVIUTNY-RWEWTDSWSA-N 403.869 5.583 0 40 HKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccccc3Cl)oc12 67295709 NYKOKCYEQBQPLB-RWEWTDSWSA-N 419.868 5.283 0 40 HKAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCOc1cc(C)ccc1C(C)C 82086498 YHIRPLDJKRCNFV-QHCPKHFHSA-N 405.542 5.231 0 40 HKAB Cc1ccc(COc2ccc3ccccc3c2CNc2ccc(Cl)c(Cl)c2)cc1 106975059 ZHFMBWDEYGGYIX-UHFFFAOYSA-N 422.355 7.646 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2c1cc(C(F)(F)F)[nH]n1 118915692 VDGOOKRFIJJCSX-OCRKWRAVSA-N 410.524 5.916 0 40 HKAB in-vitro Cn1nc([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1C(F)(F)F 118926212 OFZZRUVLPSTSGV-KPTKGFLISA-N 422.535 5.846 0 40 HKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc(C(C)(C)C)cc1 222919271 FLCVIXQSFDXTQX-JTSKRJEESA-N 410.558 5.309 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1C(C)C 223331704 QDIWBHOJTRCSKH-RBUKOAKNSA-N 405.538 5.925 0 40 HKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 223754782 ZWZBAPIFSHSGKT-DHIUTWEWSA-N 418.566 5.184 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224475693 UQBVMQKABIMEKB-FQEVSTJZSA-N 405.991 5.703 0 40 HKAB O=C(COc1ccc2c(c1)CCCC2)N[C@H]1CC2(CCCCC2)Oc2ccccc21 224707181 UJLYDBCGVTWDRY-QHCPKHFHSA-N 405.538 5.287 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)CSCc2ccc(Cl)cc2F)c2ccccc2O1 225199330 KTNOKCSFMWNACN-LJQANCHMSA-N 421.965 5.911 0 40 HKAB CC[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(OC)cc1 225487542 JTEZPJKTVLQJCI-MRXNPFEDSA-N 402.869 5.805 0 40 HKAB CC[C@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccc(OC)c(C)c1 225541487 OMZHGZOLTJQXBF-SFHVURJKSA-N 420.347 5.029 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c2cccnc12 225864973 VEDODDDDTUPDKN-UHFFFAOYSA-N 404.510 5.483 0 40 HKAB Cc1cc(-n2cccc2)cc2nc(-c3ccc(I)cc3)oc12 226247214 BQRQCZXACQBUKP-UHFFFAOYSA-N 400.219 5.199 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2cc(Cl)c3nc(N)sc3c2)cc1Cl 226311407 HARBSBZZCJYDAP-UHFFFAOYSA-N 402.690 5.100 0 40 HKAB COc1ccccc1C(=O)N1CCC[C@H](c2cc(-c3ccc(F)cc3)cc(C)n2)C1 257305570 SQOPBQYBZMGTBZ-IBGZPJMESA-N 404.485 5.225 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccccc3Sc3ccccc3)N21 260775113 PHYKAUPOQSAPMW-ZQMYSKGWSA-N 417.603 6.212 0 40 HKAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)C12CC3CC(CC(C3)C1)C2 408560194 CMEHPTMGTLYNKR-LCUIJRPUSA-N 408.611 5.805 0 40 HKAB CCOC(=O)/C=C(\Cc1ccc(OCc2ccccc2)cc1)NCc1ccccc1 725328104 ZGKSTVLIBXGASI-HKOYGPOVSA-N 401.506 5.045 0 40 HKAB O=C(NCc1cccc2ccccc12)NC[C@@H](O)c1ccc(-c2ccsc2)s1 1775966817 CLNBTCIJSGFDBH-LJQANCHMSA-N 408.548 5.163 0 40 HKAB Cc1cc(NC(=O)c2cccnc2Cl)ccc1NC(=O)c1cc2ccccc2o1 803432 WZVRAECVCSRFIZ-UHFFFAOYSA-N 405.841 5.294 0 40 HKAB CCc1ccc(Oc2coc3cc(O[C@H](C)C(=O)O[C@H](C)CC)ccc3c2=O)cc1 957148 MRCMRJZUFQRRRH-HZPDHXFCSA-N 410.466 5.257 0 40 HKAB COc1cc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccccc23)cc(OC)c1 1293520 PKPWFKWZZAFEJN-LKUDQCMESA-N 401.418 5.078 0 40 HKAB biogenic CCCc1ccc(C(=O)N2c3c(C)cccc3[C@H](Nc3ccccc3C)C[C@H]2C)cc1 1816165 KFIOUAKHOAUKID-QFQXNSOFSA-N 412.577 6.848 0 40 HKAB Cc1cc(C)cc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)c1 2122346 MIIBCPIKCFXVIB-UHFFFAOYSA-N 411.501 5.666 0 40 HKAB biogenic Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)Sc2ccc(Cl)cc2)CC1 2381080 ZCKVJSJWRBVJJA-HNNXBMFYSA-N 409.382 5.131 0 40 HKAB Cc1ccc(C(=O)Oc2ccc3cc(-c4nc5ccccc5s4)c(=O)oc3c2)cc1 2666280 GGDIOMQUGSHJDP-UHFFFAOYSA-N 413.454 5.597 0 40 HKAB biogenic Clc1ccc2c(c1)C1=C([C@H](c3cccs3)O2)[C@@H](c2ccccc2)n2ncnc2N1 2707245 HVKOWBOZZXKVRD-RTWAWAEBSA-N 418.909 5.553 0 40 HKAB Cc1ccc(Sc2c(C)nn(C(C)(C)C)c2OC(=O)c2ccc(C)c(C)c2)cc1 2718647 FDYMWWWSAILDLL-UHFFFAOYSA-N 408.567 6.242 0 40 HKAB CCc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3OC)c3ccccc3n2)cc1 2734337 VCEDIIAGOOCUIN-UHFFFAOYSA-N 416.908 6.379 0 40 HKAB Cc1ccc(-c2cc(C(=O)NCCCCc3ccccc3)c3ccccc3n2)s1 2745148 NMNAIWLFHKYDKY-UHFFFAOYSA-N 400.547 6.024 0 40 HKAB O=C(Nc1ccc(CSc2ccc(F)cc2)cc1)c1cc(Cl)cc(Cl)c1 3116606 WNMRJIQZPKKHBT-UHFFFAOYSA-N 406.309 6.677 0 40 HKAB O=C(Nc1ccc(F)c(F)c1F)c1ccccc1Nc1ccc(SC(F)F)cc1 3195223 INHXLNVOUCVDHB-UHFFFAOYSA-N 424.394 6.415 0 40 HKAB Cc1ccc(C(=O)[C@H](Sc2nnc(C)n2-c2ccccc2)c2ccc(C)cc2)cc1 3290760 IZVBEOGJKPPDTP-XMMPIXPASA-N 413.546 5.909 0 40 HKAB COc1ccc(C(C)=O)cc1C[C@@H](C(=O)c1ccc(Cl)cc1)N1CCCCCC1 3339949 ODFKTWYRVDKYLP-QFIPXVFZSA-N 413.945 5.221 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)o1 3345475 GUVABWATEOHFPE-CABCVRRESA-N 411.527 5.378 0 40 HKAB COc1ccc(-c2nn(-c3ccccc3)cc2COC(=O)Nc2ccc(C)cc2)cc1 3367912 IRDYXPXRCRCAMX-UHFFFAOYSA-N 413.477 5.605 0 40 HKAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 3655535 DXYOHJQNVOMAPV-OAHLLOKOSA-N 419.864 5.723 0 40 HKAB O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cc(-c2cccs2)on1 4104101 WBERBCATLAGNRF-UHFFFAOYSA-N 419.293 5.207 0 40 HKAB aggregator CC(C)Cc1ccc(-c2cc(C(=O)N[C@H]3CCCC[C@H]3C)c3ccccc3n2)cc1 4651277 FANVPZURCOPVCG-DVECYGJZSA-N 400.566 6.409 0 40 HKAB COc1ccccc1C1(O)[C@@H](C)[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@@H]1C 4714096 LTBHDKLBZYZJDK-KFJMFTIGSA-N 401.550 5.583 0 40 HKAB CCOc1cccc2c1O[C@H](c1cccc(F)c1)N1N=C(c3cccc(OC)c3)C[C@H]21 4715708 WWKRMMMPGFJZKU-RCZVLFRGSA-N 418.468 5.475 0 40 HKAB Cc1sc2nc(C3CCCCC3)nc(SCC(=O)Nc3nccs3)c2c1C 4848101 NLPZLSHJKLOSMF-UHFFFAOYSA-N 418.613 5.543 0 40 HKAB CCOC(=O)c1cc(OCc2ccccc2)c2c(c1)Oc1nc3ccccc3nc1O2 5557177 TZJKCPJXCYHSNH-UHFFFAOYSA-N 414.417 5.284 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1Cl 5980481 COAFJZCHUCKGEN-UHFFFAOYSA-N 420.896 6.416 0 40 HKAB Cc1ccc(C2=NNC(c3cccs3)=Nc3ccc(OC(F)(F)F)cc32)cc1 6233801 XAXZAHSVFUJQOD-UHFFFAOYSA-N 401.413 5.389 0 40 HKAB Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 7112693 DHXFVVQJIAHYOY-QFIPXVFZSA-N 418.884 5.194 0 40 HKAB Cc1cc(C(=O)CSc2nnc([C@@H](C)Oc3ccccc3F)o2)c(C)n1C1CC1 7138131 IMNROZQQWHILTM-CQSZACIVSA-N 415.490 5.077 0 40 HKAB O=C(CSc1nnc(NCc2ccco2)s1)c1ccc(-c2ccccc2)cc1 7161662 LDZFFUBSCJXPGZ-UHFFFAOYSA-N 407.520 5.385 0 40 HKAB CC(=O)[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)c1ccccc1 8944119 IINJUNODPROUNS-QFIPXVFZSA-N 417.509 5.555 0 40 HKAB Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1C 9056987 ZEEHGQIDCRDXIL-UHFFFAOYSA-N 421.327 7.078 0 40 HKAB Cc1cc(OCC(=O)N(Cc2ccco2)Cc2ccccc2F)cc(C)c1Cl 9205052 ONKIMEIYTPRRKM-UHFFFAOYSA-N 401.865 5.297 0 40 HKAB Fc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9308779 GWYANDBZRBVFQY-FPOVZHCZSA-N 422.301 6.084 0 40 HKAB Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3cccc(Cl)c3)c2c1 9499142 HSKDETOMAZPPFG-UHFFFAOYSA-N 421.327 7.078 0 40 HKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(OC(F)F)c1 9742049 VHEPNHUBYFLBNO-UHFFFAOYSA-N 421.831 5.044 0 40 HKAB CCCCn1c(S[C@H](C(N)=O)c2ccccc2)nc2cc(C(F)(F)F)ccc21 11251381 JWWKOADLODSOKT-KRWDZBQOSA-N 407.461 5.174 0 40 HKAB CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc4c(c3)OCCO4)c2c1 12082750 NSMDEXNGTNQSFX-HPNDGRJYSA-N 413.473 5.674 0 40 HKAB CCc1ccc2nc(NC(=O)C3C[C@@H]4CCC[C@H](C3)C43SCCS3)sc2c1 13145906 GAPMPMGVUSAITA-MQVJKMGUSA-N 418.653 5.800 0 40 HKAB c1ccc(/N=c2\scc(-c3ccc(-c4ccccc4)cc3)n2Cc2ccco2)cc1 13301743 MUHRZRWAGAAHMR-RQZHXJHFSA-N 408.526 6.757 0 40 HKAB COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc(OC)c1OC 13777403 SVJFFUHNFVDESD-GAJHUEQPSA-N 422.506 5.016 0 40 HKAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1 14237753 IXEXHXMJNYEWIW-QHCPKHFHSA-N 401.510 5.062 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 14413614 BGNLMJNSWLBIKW-XMHGGMMESA-N 401.815 6.538 0 40 HKAB CCOc1ccccc1-c1nc(CSc2nc(O)cc(-c3ccccc3)n2)c(C)o1 16841819 VXWQCIYWBTZXBD-UHFFFAOYSA-N 419.506 5.504 0 40 HKAB Cc1ccccc1-c1cc(-c2ccccc2C)n(Cc2ccc(Cl)cc2Cl)n1 17087633 XAYBXQPPCAQOLS-UHFFFAOYSA-N 407.344 7.189 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1Cl 17092533 JWQYWNPWTQAKMI-UHFFFAOYSA-N 420.940 6.451 0 40 HKAB COc1cccc([C@H]2SCC(=O)N2c2ccccc2Oc2ccccc2)c1OC 17198451 PRHOQWFJLWKQIZ-HSZRJFAPSA-N 407.491 5.275 0 40 HKAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(CCc1ccccc1F)CO2 19890891 RMTUCSXLYLJTKA-UHFFFAOYSA-N 415.464 5.302 0 40 HKAB O=C(Nc1ccccc1-c1nc(-c2cccnc2)no1)c1ccc(Cl)cc1Cl 22458778 TXSGJTDHELZFDM-UHFFFAOYSA-N 411.248 5.358 0 40 HKAB O=C(c1ccc(Br)s1)N(Cc1cccc(Br)c1)C1CC1 25089735 CEAFDLNVEPKFFJ-UHFFFAOYSA-N 415.150 5.078 0 40 HKAB C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc2ccccc2c1 31404720 GZXRSRIBLDWQIU-INIZCTEOSA-N 404.897 5.958 0 40 HKAB Clc1ccc([C@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1Cl 31716574 PKYMTSJXAMCLLY-RPWUZVMVSA-N 406.312 6.917 0 40 HKAB COc1cccc(CN2C(=O)C(O)=C(c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)c1 40485477 WYEXFJJTCIRTRP-VWLOTQADSA-N 413.517 5.871 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(C)cc(C)c1 49005024 QEYNHWPDJXOELK-HXUWFJFHSA-N 402.542 5.703 0 40 HKAB COc1cccc(CN(C)C(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)c1OC 58289452 WLAMHTYXBXUGCC-YDXVBCDDSA-N 419.565 5.200 0 40 HKAB Cc1ccc2cc(C(=O)Nc3ccc(Cl)cc3NC(=O)c3ccco3)c(C)nc2c1 71818902 XZQNZSFCGADXJU-UHFFFAOYSA-N 419.868 5.603 0 40 HKAB C[C@@H](C(=O)N1CCC(c2[nH]c3ccccc3c2-c2ccncc2)CC1)c1ccccc1 72342172 CYEKWOGWBUUSKD-LJQANCHMSA-N 409.533 5.740 0 40 HKAB Cn1ncc(C(=O)N[C@@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)c1C(F)F 95458905 IYDXRFGVHSYONC-CZUORRHYSA-N 415.406 5.223 0 40 HKAB Cc1ccc(CN2CCC(c3nc4ccc(Nc5ccccc5)cn4n3)CC2)s1 96038321 YIGZKCPZLLHOQZ-UHFFFAOYSA-N 403.555 5.222 0 40 HKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 106688378 YAHYOSCSCRABDY-UNOMPAQXSA-N 417.914 5.374 0 40 HKAB CCOc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl 107043258 ZYOFNWBQHOSULX-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OCc1ccccc1 108040466 BHJXBZJJLFHHFM-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB Cc1nnsc1C(=O)Nc1cccc(-c2csc(Nc3ccccc3F)n2)c1 206892370 IPANRTQUGLLHES-UHFFFAOYSA-N 411.487 5.105 0 40 HKAB CC[C@@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(OC)c(OC)c1 219006945 LKQBACBTNKNKCM-HSZRJFAPSA-N 403.522 5.370 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 222915311 MGBKGXCNPOHBDA-SFHVURJKSA-N 413.867 6.452 0 40 HKAB CCc1ccc(CC)c(CNC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 224077134 HQAHJCPUBMMUCG-UHFFFAOYSA-N 419.590 5.913 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1COc1ccccc1C 224374902 QWTXDLUTNAIBRT-UHFFFAOYSA-N 421.493 5.242 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccccc1OC 224583003 DIKIOXDTSINGEU-UHFFFAOYSA-N 411.542 5.516 0 40 HKAB CC(C)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1 224925312 CAZIWNBNBUYHOG-UHFFFAOYSA-N 400.453 6.523 0 40 HKAB COc1ccc(/C=C(/C(=O)Nc2nnc(SC(C)C)s2)c2ccccc2)cc1 225076592 QXQXSOJRBCLCLI-QGOAFFKASA-N 411.552 5.227 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1F)c1ccccc1 225306189 HFIPIXVVKKSTGT-HNNXBMFYSA-N 410.876 5.151 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccccc1Sc1ccccc1 225328904 LAZTWPBSQVSMQJ-UHFFFAOYSA-N 402.346 6.716 0 40 HKAB CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1 225513115 QTUUGARKSYVROS-UHFFFAOYSA-N 408.586 5.556 0 40 HKAB Clc1ccc(-c2n[nH]cc2-c2nc(-c3ccc(Br)cc3)no2)cc1 225545952 YAEFNUWULFWQTR-UHFFFAOYSA-N 401.651 5.210 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OC(F)(F)F)cc3)Cc3ccccc3C2)cc1 225933626 JXKYADWHYQPGID-UHFFFAOYSA-N 411.423 5.569 0 40 HKAB CCCCOc1ccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1 226363500 HFHOWRSKXVOQEB-UHFFFAOYSA-N 409.938 6.962 0 40 HKAB CCCCn1nc(-c2cc(C(=O)O)ccc2OCC(C)C)cc1-c1ccccc1OC 257303277 SGNFFHJNFWSJJL-UHFFFAOYSA-N 422.525 5.759 0 40 HKAB COc1ccccc1N(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 408625889 JNLFGKCLFSFVBL-UHFFFAOYSA-N 422.333 5.398 0 40 HKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)c(C)c1 408640912 KJKXEKJDNAFYMD-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB CCc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 408648665 XXPUUTLTSYGEBG-UHFFFAOYSA-N 424.500 5.568 0 40 HKAB Cc1ccc(OCCSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)cc1 409104335 CYHNTMUBTADLAD-UHFFFAOYSA-N 416.550 5.426 0 40 HKAB CCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)c2ccccc21 409112468 DHPBTXMLRXNZMV-JWGURIENSA-N 403.909 6.216 0 40 HKAB Cc1ccccc1NCc1cc(Br)ccc1OCc1cccc(F)c1 409121639 XINSHZUSTSUHIP-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB C[C@H](Oc1ccccc1)C(=O)Nc1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl 713047 VICXSUPOUGJWPB-AWEZNQCLSA-N 412.848 5.137 0 40 HKAB O=C1CS[C@@H](c2ccc(Cl)cc2Cl)N1c1ccc(Br)cc1 850803 TWRCSHLJALVLBP-HNNXBMFYSA-N 403.128 5.535 0 40 HKAB Cc1cc(C)c(NC(=O)CSc2nnc3c(C)cc4ccc(C)c(C)c4n23)c(C)c1 903138 UJSSBJFCOLFNAR-UHFFFAOYSA-N 418.566 5.464 0 40 HKAB CCC(=O)N1CCc2cc(-c3nc(NC(=O)/C=C/c4ccccc4)sc3C)ccc21 1366596 YAJWYLBUTVRDMD-FMIVXFBMSA-N 417.534 5.070 0 40 HKAB Cc1cc(C)c(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccco2)c(C)c1 1379921 VCBHVCLVLGQMRZ-HSZRJFAPSA-N 420.509 5.245 0 40 HKAB S=C(Nc1ccc(I)cc1)SCc1ccc(Cl)cc1 1565600 PIXZZGWCRXGBLC-UHFFFAOYSA-N 419.740 5.575 0 40 HKAB CN(Cc1ccccc1)[C@@H](c1ccccc1)[C@H](O)C(O)(c1ccccc1)c1ccccc1 1744877 PVLWQGZUFMCXRG-NSOVKSMOSA-N 423.556 5.157 0 40 HKAB Cc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3c(Cl)cccc23)cc1 2079608 QOJAXEGHGOOLAD-UHFFFAOYSA-N 415.876 5.903 0 40 HKAB COc1ccc(-c2c(C)oc3cc(OCc4cc(C)ccc4C)ccc3c2=O)cc1 2103529 FEGHYJHTTFSDIS-UHFFFAOYSA-N 400.474 5.973 0 40 HKAB biogenic CC(C)(C)C(=O)CSc1nccc(-c2ccc(-n3cnc(Cl)c3Cl)cc2)n1 2155507 CYHFPJGTCWQYDH-UHFFFAOYSA-N 421.353 5.343 0 40 HKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(C(F)(F)F)c2)cc1 2249054 MEROFFJSBVXUKB-UHFFFAOYSA-N 404.395 5.963 0 40 HKAB CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1sc2ccccc2c1Cl 2270205 PLQCDWYIHIHECJ-CQSZACIVSA-N 413.970 6.886 0 40 HKAB COc1ccc(C(=O)Nc2ccc3nc(SCCC(C)C)sc3c2)cc1OC 2422138 PZIRTRFBYFKBAY-UHFFFAOYSA-N 416.568 5.704 0 40 HKAB COc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4ccc(C)cc4)cc2-3)cc1 2690101 OMPMJULOMBPMSO-UHFFFAOYSA-N 409.489 5.577 0 40 HKAB COc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)cc2)c(OC)c1 2754779 KLECJEWCFXBDKD-UHFFFAOYSA-N 403.478 5.024 0 40 HKAB COc1ccccc1NCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 2887583 QULXZMSQFYDFCN-UHFFFAOYSA-N 422.337 5.100 0 40 HKAB O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Br)cc1 2961343 URIHTCJGRRRFMT-UHFFFAOYSA-N 410.296 5.373 0 40 HKAB CC(C)(C)c1cc(C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)cc(C(C)(C)C)c1 3219616 RLVGMGCMJHSWET-UHFFFAOYSA-N 419.924 5.870 0 40 HKAB C[C@@H](Sc1ncnc2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3253553 RJEWEMMRUNPIQM-SNVBAGLBSA-N 411.836 5.421 0 40 HKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccccc1C(F)(F)F 3275295 YQQRZQKFPNOCTL-UHFFFAOYSA-N 413.395 5.019 0 40 HKAB C[C@@H]1CCCC[C@@H]1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 3290386 OQPQGIWVJZUOGT-SKDRFNHKSA-N 401.384 5.391 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(Cl)c2)cc1 3321887 IGAZCRMVNQSTBT-UHFFFAOYSA-N 424.913 5.136 0 40 HKAB Cc1ccc(NC(=O)c2c(NC(=O)c3ccc(F)cc3)sc3c2CCCC3)cc1C 4190249 DQKUXQVKZIYRKR-UHFFFAOYSA-N 422.525 5.887 0 40 HKAB CC1=CC[C@@H](C(=O)O)[C@@H](C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)C1 4576741 RIZCELMIGUAXHK-MSOLQXFVSA-N 406.507 5.267 0 40 HKAB CC1(C)OC(c2cccc(NC(=O)c3ccccc3-c3ccccc3)c2)OC1(C)C 4653636 GAVDEXDPFNLGFA-UHFFFAOYSA-N 401.506 6.209 0 40 HKAB CCC(C)(C)[C@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4ccccc4)cc3c2C1 4735820 NMRWMICEXCXJHI-KRWDZBQOSA-N 411.567 6.083 0 40 HKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2)cc1 4741894 GOYOWLCTKPZFNK-DEOSSOPVSA-N 408.505 5.526 0 40 HKAB Cc1ccc2occ([C@H]3Oc4ccccc4[C@@H]4CC(c5ccccc5)=NN43)c(=O)c2c1 4837304 AMHICPPKRKKGNC-BKMJKUGQSA-N 408.457 5.344 0 40 HKAB COc1ccc(-c2csc(NC(=O)CCSc3ccc(Cl)cc3)n2)cc1 5191774 FBCNTVGRRGKFJN-UHFFFAOYSA-N 404.944 5.593 0 40 HKAB CN(C)c1ccc([C@H](CNC(=O)CCc2ccccc2)c2c[nH]c3ccccc23)cc1 5689676 RMUJUVOHHQAFFB-DEOSSOPVSA-N 411.549 5.115 0 40 HKAB CCCC1=C(C(=O)OC)[C@H](c2c(F)cccc2Cl)NC(=S)N1c1ccccc1 6367034 TWWBIIDEIYUIJI-IBGZPJMESA-N 418.921 5.142 0 40 HKAB O=C(O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(Cl)cc1 6779246 CEEJHLFNAVRMMU-SFTDATJTSA-N 409.844 5.045 0 40 HKAB COc1cc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc(OC)c1C 7063821 ZCTDYSXVEMBXPF-UHFFFAOYSA-N 410.539 5.686 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccccc2Cc2ccccc2)c1 7344643 CHVPNVIUJRFUIR-UHFFFAOYSA-N 412.489 5.714 0 40 HKAB Fc1ccc(-c2cc3ncnc(Nc4ccc(N5CCOCC5)cc4)c3s2)cc1 7974645 PYARMLWWIIQPNH-UHFFFAOYSA-N 406.486 5.078 0 40 HKAB Brc1ccc2o/c(=N\c3ccccc3)c(-c3nc4ccccc4[nH]3)cc2c1 8437365 XWIBFFHPMNKCQT-GYHWCHFESA-N 416.278 5.971 0 40 HKAB Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 8475649 LYPZWAFOGMUXEW-UHFFFAOYSA-N 423.516 5.259 0 40 HKAB CNC(=O)CC[C@]1(C)[C@@H](O)CC[C@@H]2[C@@H]3CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]21 8615386 NQHLWIQKUHZEBA-QFWISKHRSA-N 419.694 6.195 0 40 HKAB O=C(CSc1nc(-c2ccc(Br)cc2)c[nH]1)Nc1ccccc1Cl 9126848 WHCZOQMTHQFPNC-UHFFFAOYSA-N 422.735 5.223 0 40 HKAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc12 9253485 OFVJELILVMCORQ-KRWDZBQOSA-N 424.595 5.649 0 40 HKAB CCOc1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1 9816475 NWLSAFCVMFAYTM-UHFFFAOYSA-N 400.272 5.019 0 40 HKAB COc1ccc2cc(CNC(=O)N(C)Cc3ccc(C(F)(F)F)cc3)ccc2c1 10495069 NEBCZIQUIKSELY-UHFFFAOYSA-N 402.416 5.209 0 40 HKAB NC(=O)[C@@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1ccccc1 11329258 FVFOCBSABFCTFQ-FQEVSTJZSA-N 407.926 5.057 0 40 HKAB Cc1ccsc1CN(Cc1ccco1)C(=O)C1=C(c2ccccc2)SCCO1 12322501 UZBRMNGHIDKOBK-UHFFFAOYSA-N 411.548 5.311 0 40 HKAB Cc1ccc(C)c(-n2ccnc2S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c1 12544385 QQBJBECTLBDRBQ-ZDUSSCGKSA-N 421.353 5.310 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Cl 12735958 BAVBSKVFTJJZAT-UHFFFAOYSA-N 415.880 5.766 0 40 HKAB Clc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCCO3)c1 13281839 CWEVITITGNZCDV-UHFFFAOYSA-N 414.852 5.060 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 14007060 IPPYBCUQZSIUNI-IRXDYDNUSA-N 422.912 5.237 0 40 HKAB COc1ccc(-c2c(C)nn3c2N=C(c2ccccc2OC)C[C@H]3c2cccnc2)cc1 14607631 ZQLHGRXPHSVIIM-QHCPKHFHSA-N 424.504 5.385 0 40 HKAB CCCOc1ccc(Br)cc1C(=O)Nc1ccccc1Br 14651846 BFKPEKNANUCSAX-UHFFFAOYSA-N 413.109 5.253 0 40 HKAB Fc1cc2c(c(CN3CCC[C@@H](C(F)(F)F)C3)c1)O[C@@H](c1ccsc1)OC2 16046970 XPUAMBZGQNYXQP-QAPCUYQASA-N 401.425 5.269 0 40 HKAB CCOC(=O)[C@@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757588 IWQDMFVHZKYRGF-HXUWFJFHSA-N 417.534 5.521 0 40 HKAB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21 17083446 FSESELFNBHENJU-MUUNZHRXSA-N 421.496 5.156 0 40 HKAB CCOC(=O)c1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1Cl 20453400 ZIISKCINGMCONV-UHFFFAOYSA-N 416.301 5.181 0 40 HKAB O=C(CSc1nc(C(F)(F)F)nc2ccccc12)N1CCC[C@H]1c1cccs1 22249317 COEQJKRPQDXNJZ-AWEZNQCLSA-N 423.485 5.166 0 40 HKAB CC(C)c1ccccc1NC(=O)[C@H](C)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 26486342 GGVPFHHXYFPILY-AWEZNQCLSA-N 422.356 5.014 0 40 HKAB O=C(Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21)Nc1ccccc1Cl 27694302 NZGXEPFARNAEAD-UHFFFAOYSA-N 410.304 5.573 0 40 HKAB C[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccc(F)cc1Cl)c1ccccn1 28292502 VHTGDJDKLGPHHH-CQSZACIVSA-N 402.828 5.014 0 40 HKAB COc1cc(C)c(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1OC 28701289 FHEYCAQDZIEVJC-UHFFFAOYSA-N 415.411 5.950 0 40 HKAB CC(=O)N(c1nc(COc2ccccc2C(F)(F)F)cs1)c1ccccc1F 31789553 NSTYFUCUZAFEQB-UHFFFAOYSA-N 410.392 5.565 0 40 HKAB Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc(C(F)(F)F)nc2O)s1 32905039 XQZSLGGBGBUFRU-UHFFFAOYSA-N 420.456 5.061 0 40 HKAB Cc1ccccc1-c1nc(-c2cccc(OCC(=O)Nc3cccc(Cl)c3)c2)no1 33327280 AJUBLZVFVFRSNI-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CCOc1c(Cl)cc(C(=O)Nc2ccc(OC)cc2)cc1OCc1ccccc1 33616267 KAHYJNWVQSJQIW-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB CCOc1cc(C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OCC 33762655 NCLVGICSMJHFQK-UHFFFAOYSA-N 412.711 5.461 0 40 HKAB CC(C)(C)N1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC1=S 35039485 VCFXJNXMAGFXMB-LDADJPATSA-N 417.983 5.919 0 40 HKAB Cc1cc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)ccc1Br 39747760 IBOQFMNUUUOEBH-UHFFFAOYSA-N 421.766 5.262 0 40 HKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2C)cc1 44086684 VVMCKGKKSXAYOK-UHFFFAOYSA-N 413.546 5.887 0 40 HKAB CCCCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2ccsc2c1=O 57426373 KVEQZUOWUCLYIE-UHFFFAOYSA-N 415.584 5.112 0 40 HKAB FC(F)(F)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 66124187 AODNIJAWBVNEKG-UHFFFAOYSA-N 416.428 5.293 0 40 HKAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72214766 AUZHVZJOUBCUJV-SFHVURJKSA-N 419.566 5.695 0 40 HKAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCCN1Cc1ccccc1Cl 72351366 YUBFFCOCBQNBNG-JOCHJYFZSA-N 422.960 5.063 0 40 HKAB Cc1sc2c([C@@H]3CCCN(CC4=CCCOC4)C3)nc(Nc3ccccc3)n2c1C 72390983 MNFWJMKPJRSCGI-HXUWFJFHSA-N 422.598 5.282 0 40 HKAB Cc1coc2c(C)c3oc(=O)c(CC(=O)Nc4cccc5[nH]ccc45)c(C)c3cc12 85879068 QAGHOQASQPZTIO-UHFFFAOYSA-N 400.434 5.127 0 40 HKAB biogenic Cc1ccc(NC(=O)c2ccc3onc(-c4csc(-c5ccccc5)n4)c3c2)cn1 96037894 PVKDQHSISSOOLC-UHFFFAOYSA-N 412.474 5.574 0 40 HKAB O=C(Nc1ccc(I)cc1)C1[C@@H]2CCC[C@@H]1C2c1ccccc1 100072131 OTSKROMRNIVCFM-YYZRRKBYSA-N 417.290 5.060 0 40 HKAB C[C@H]1[C@@H]2[C@@H]3OC[C@]1(COC(=O)Nc1ccccc1)[C@H](C)C[C@@]2(C)Oc1ccccc13 100428135 UONFBIWUOHBYQS-VXUUCIQQSA-N 407.510 5.436 0 40 HKAB biogenic Cc1ccc(N2C(=O)/C(=C\Nc3ccc(Cl)cc3)c3ccccc3C2=O)cc1C 104716061 YLSKOLHRJGLCJD-HMAPJEAMSA-N 402.881 5.597 0 40 HKAB Fc1ccc(COc2ccc(Cl)cc2CNc2ccc(Cl)cc2Cl)cc1 106971827 KKWIZRFLNHWXOX-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB COc1cccc(-c2ccc(CN(Cc3ccccc3)C3CCN(C)CC3)cc2)c1 141531520 MHLGLRSNXRFBOM-UHFFFAOYSA-N 400.566 5.459 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1C1CCCCC1 223106154 ZFRKWSCUESFGOK-GOTSBHOMSA-N 408.615 5.694 0 40 HKAB Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223376866 KAAQXMXSFFXLCP-DQEYMECFSA-N 424.573 5.353 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)c(Br)c1 224248117 FTWZRNLSWDCCCT-UHFFFAOYSA-N 424.294 5.928 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCC2)cc1CSc1ccc(Cl)cc1 224670247 OSMGFESODHKIAE-UHFFFAOYSA-N 403.975 6.094 0 40 HKAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 224690882 YOMQYWQURVNQJD-NRFANRHFSA-N 422.613 5.169 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1OCC 225362874 SPJQHINNYVLFTR-AWEZNQCLSA-N 410.341 5.601 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 225720327 RUKVWYCPOQALAM-DNQXCXABSA-N 421.581 5.922 0 40 HKAB Cc1cccc(Cl)c1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 408699263 VVVQMDOSTVXTNO-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)cc2-c2cccc3ccccc23)cc1 408725463 PJKCGUZDCBQBAH-UHFFFAOYSA-N 421.475 6.392 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1Cc3ccccc3[C@H]21 408987648 BNBWQJNJHDXNCR-CEWLAPEOSA-N 410.300 6.163 0 40 HKAB Cc1cccc(NCc2cc(Cl)ccc2OCc2ccc(Br)cc2)c1 409115398 JCGCNWLHFGUJIH-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB CC(C)c1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 409154995 PFIALEQFYAXYDV-WOJGMQOQSA-N 416.340 5.809 0 40 HKAB CCCc1sc(NC(=O)CCC(=O)c2ccccc2)nc1-c1ccc(Cl)cc1 409197579 IZUYNWHFUZWTMK-UHFFFAOYSA-N 412.942 6.018 0 40 HKAB Cc1ccc(CN2CCC[C@@H]2c2csc(NC(=O)c3cccc(Cl)c3)n2)cn1 585295253 RUALHXDBNSSGLP-LJQANCHMSA-N 412.946 5.089 0 40 HKAB O=C(c1sc2cc(C(F)(F)F)ccc2c1Cl)N1CCC[C@H](c2cc[nH]n2)C1 588094589 KWJMXDGSOCHKCL-JTQLQIEISA-N 413.852 5.316 0 40 HKAB CC(=O)N1CCCCCCN(C(=O)c2ccc(Cl)c(Cl)c2)Cc2ccccc21 643588913 MDGMHIQMKRWUQQ-UHFFFAOYSA-N 419.352 5.563 0 40 HKAB O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 1565519247 WCYKLTIXDQVNKJ-FGZHOGPDSA-N 418.928 5.361 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(C4(C)OCCO4)=CC[C@H]32)C1 2049238356 JYRJWVYVMVQZQS-UTJJDKHZSA-N 400.559 5.180 0 40 HKAB COc1ccc(NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)c(OC)c1 668536 BVJQHJTYAQCQEH-UHFFFAOYSA-N 422.264 5.435 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cc(Cl)ccc1Cl 865588 XVZYJVLWUCEGQG-UHFFFAOYSA-N 401.224 6.193 0 40 HKAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)cc1 993400 ICZHVFNQZHGQJV-FQEVSTJZSA-N 413.517 5.279 0 40 HKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)n2c(nc3ccccc32)N1 1068702 IEJYJXLEQUZQJQ-VWLOTQADSA-N 422.532 6.087 0 40 HKAB CCOC(=O)[C@H](C(=O)c1ccccc1)[C@@H](c1ccccc1)c1nccc2ccccc12 1718218 BBWZQZGGDBQMEA-RPWUZVMVSA-N 409.485 5.429 0 40 HKAB CCC(=O)N(CC[C@@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccccc1 1771885 HZACOFWZKYPXFH-MHZLTWQESA-N 415.577 6.435 0 40 HKAB biogenic Cc1ccc2nc(-c3ccc(NC(=O)COc4c(C)ccc(C)c4C)cc3)sc2c1 1775926 VHJBDPVNOGTTQB-UHFFFAOYSA-N 416.546 6.214 0 40 HKAB aggregator Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O[C@@H](C)C(=O)c3ccccc3)ccc12 1893449 RQWMMUHMMUVBLC-IBGZPJMESA-N 412.485 5.651 0 40 HKAB biogenic CCOC(=O)c1c(Nc2ccc(C)cc2)nnc(-c2ccccc2)c1-c1ccccc1 1911187 FIDMWZLARBXILM-UHFFFAOYSA-N 409.489 6.039 0 40 HKAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3ccc(Cl)cc3Cl)ccc12 2093885 MYMOHIKUPJUCRA-UHFFFAOYSA-N 421.276 5.313 0 40 HKAB biogenic Cn1c(NC(=O)c2ccc(Cl)cc2)c(-c2ccccc2Cl)c(=O)c2ccccc21 2228909 NXRBNLLFHCVDMZ-UHFFFAOYSA-N 423.299 5.765 0 40 HKAB FC(F)(F)c1cnc(Oc2ccc(-c3nc4ccccc4s3)cc2)c(Cl)c1 2561809 FCYDLLGUYFDJHC-UHFFFAOYSA-N 406.816 6.823 0 40 HKAB COc1ccc2c(c1)c1nnc(-c3ccc(F)cc3)c-1cn2Cc1ccccc1F 2690575 WMFDYTFXVHKASS-UHFFFAOYSA-N 401.416 5.538 0 40 HKAB COc1ccc(-c2nc3c4ccccc4ncn3n2)cc1COc1ccccc1Cl 2730619 FWNSDIHMFFSEQY-UHFFFAOYSA-N 416.868 5.186 0 40 HKAB CCCOC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CCCCC2 2740029 FTHALGHMKVCQAH-UHFFFAOYSA-N 407.535 5.989 0 40 HKAB O=C(O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)C1CCCCC1 3250596 ZRYRQVZZZDZAFS-LJQANCHMSA-N 406.309 5.797 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)c1 3284860 AWDCLBFUXXGXQD-UHFFFAOYSA-N 408.401 5.098 0 40 HKAB CC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)cc1 3296832 PUXZASAMCJTKFS-UHFFFAOYSA-N 409.489 5.611 0 40 HKAB C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(Nc4ccc(F)cc4)nc3[C@@H](C)[C@H]21 3839891 KLOVLUHONZMRDN-CXWDKBBJSA-N 400.519 5.279 0 40 HKAB biogenic,in-vitro Clc1ccc(/C=C/c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)cc1 4002575 KCTRIFDAUQLPMB-XYOKQWHBSA-N 413.735 7.215 0 40 HKAB COc1ccccc1[C@@]1(CCN(Cc2ccccc2)C(C)=O)CCO[C@@H](C(C)C)C1 4043214 QBAQLXNSVGMBMM-FTJBHMTQSA-N 409.570 5.207 0 40 HKAB biogenic CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C 4216396 XURCMZMFZXXQDJ-UKNJCJGYSA-N 414.586 5.580 0 40 HKAB in-man CC(C)c1nc(SCC(=O)OC2CCCCC2)c2c3c(sc2n1)CCCC3 4218043 DSCXXGHEKLRXGA-UHFFFAOYSA-N 404.601 5.662 0 40 HKAB Cc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccc(F)cc12)Cc1ccco1 4920460 CZFGUVWBQDTJSI-UHFFFAOYSA-N 421.541 5.959 0 40 HKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccc(Cl)cc1 4996754 CFRVPSINLWQWLK-UHFFFAOYSA-N 408.841 5.174 0 40 HKAB FC(F)(F)c1cc(C(F)(F)F)n2nc(-c3sccc3-n3cccc3)cc2n1 5778537 MXALSQFALDXYNM-UHFFFAOYSA-N 402.323 5.286 0 40 HKAB O=C(NC(=S)Nc1nc(-c2cccc3ccccc23)cs1)c1ccccc1F 5905310 JZYHLJBSJUASFO-UHFFFAOYSA-N 407.495 5.229 0 40 HKAB CCc1ccc(NCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)cc1 5985157 YXQFZDXUUXJBPN-UHFFFAOYSA-N 400.526 5.186 0 40 HKAB COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)c1 6642208 NGTYIDRNJTUKEY-KZDSMTQLSA-N 407.554 5.085 0 40 HKAB Cc1cc2oc(=O)c(CC(=O)Nc3nccs3)c(C)c2c2occ(C(C)(C)C)c12 6669944 KAQWMUHODSZLPY-UHFFFAOYSA-N 410.495 5.091 0 40 HKAB COc1c(Br)cc(Br)cc1CNC(C)(C)CC(C)(C)C 6857351 LQNJNIDYQHVJOK-UHFFFAOYSA-N 407.190 5.525 0 40 HKAB Cc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)c3cnc4ccccc4c32)cc1 7615846 VBCRDFUQVCEMHP-UHFFFAOYSA-N 406.489 5.507 0 40 HKAB C[C@@H](Sc1nnc(Nc2cccc(Cl)c2)s1)C(=O)N(C)c1ccccc1 7989994 JONBVJGOJLLLCA-GFCCVEGCSA-N 404.948 5.079 0 40 HKAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCCC[C@H]1c1nc2ccccc2s1 8131689 GAZHJYAUMZGUIC-NRFANRHFSA-N 416.550 5.168 0 40 HKAB C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 8452381 NZXDIAGMPAJQAK-SSDOTTSWSA-N 413.515 6.360 0 40 HKAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(CSc2ccccc2)cc1C 8478487 NTWYSNRRYWJXEM-JOCHJYFZSA-N 421.562 6.092 0 40 HKAB COc1cccc(CC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 8769755 IYEVWJPYALMABM-NRFANRHFSA-N 418.924 5.321 0 40 HKAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1sccc1-c1ccccc1 9533758 FHSMHWNNGYSTOB-UHFFFAOYSA-N 401.535 5.207 0 40 HKAB Clc1ccc(-c2nnn3c2nc(NCCCc2ccccc2)c2ccccc23)cc1 9940828 LEHFHOSTYDSMDR-UHFFFAOYSA-N 413.912 5.643 0 40 HKAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1Cl 10315163 MRIMOXQDMUTWKZ-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CC(C)(C)c1ccc(CCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 10369935 SDRONCXIWDVEHV-UHFFFAOYSA-N 424.437 6.273 0 40 HKAB O=C(c1ccccc1)C1CCN(Cc2nc(-c3ccccc3)c3ccccc3n2)CC1 12823498 XOLFIWOTDXHBNT-UHFFFAOYSA-N 407.517 5.392 0 40 HKAB CCOc1ccc([C@@H]2CCCN2Cn2nc(-c3cccc(C)c3)n(C)c2=S)cc1 12853385 KANMNUWRMRGZCX-NRFANRHFSA-N 408.571 5.120 0 40 HKAB CCOC(=O)c1sc2cccc(F)c2c1CSc1nnc(C(C)C)n1C1CC1 12985787 LROXXOGMNUDSRJ-UHFFFAOYSA-N 419.547 5.559 0 40 HKAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)c3cc4ccccc4[nH]3)n2)cc1 14014998 KMRKVWOCFXBSSO-CQSZACIVSA-N 419.506 5.038 0 40 HKAB O=C(Cc1cccs1)Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 14015014 IDMJVSVKKGGLKG-UHFFFAOYSA-N 419.531 5.305 0 40 HKAB C[C@@H](Oc1nc2ccccc2nc1/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 14944075 JLZWOMHNRYVKDX-WCRPCQDQSA-N 421.327 7.247 0 40 HKAB O=C(c1cc(Cl)cc(Cl)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 15356674 QVLWIMJAYRSDQO-UHFFFAOYSA-N 422.699 5.502 0 40 HKAB Cc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)c1 16757543 QSJIAGRUEVCJHF-UHFFFAOYSA-N 407.542 6.688 0 40 HKAB O=C1OC(c2ccccc2F)=N/C1=C\c1ccccc1OC(=O)c1ccc(Cl)cc1 20494460 XFYDDSLROGIMNT-UYRXBGFRSA-N 421.811 5.043 0 40 HKAB CC(C)c1ccc([C@H](NC(=O)C[C@H](C)NC(=O)c2ccccc2)c2cccs2)cc1 22542339 WIHIKVQYFCURDT-UUOWRZLLSA-N 420.578 5.286 0 40 HKAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCc2cc(Cl)c3c(c2)OCCO3)o1 23177971 WMNCJWHNANZDRR-LLVKDONJSA-N 422.865 5.066 0 40 HKAB CC(C)Oc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)c1 27136781 NUBVOKRPWMQPKS-UHFFFAOYSA-N 422.937 6.656 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)Nc3nonc3-c3ccc(OC(C)C)cc3)oc2c1 27580536 BJHLUPXEJXUBFZ-UHFFFAOYSA-N 405.454 5.448 0 40 HKAB Cc1ccc(C(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@@H]2c2ccc(F)cc2)cc1C 28048066 IMQZDQPFIKTYNM-QHCPKHFHSA-N 422.887 5.280 0 40 HKAB Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)oc2ccc(F)cc12 28286722 NXGWCCAYMXCFLG-SFHVURJKSA-N 400.519 5.289 0 40 HKAB O=C(Nc1cccc(CNCc2ccc(-c3nc4ccccc4s3)o2)c1)C1CCC1 28960432 JPHXPPMYWUBCHF-UHFFFAOYSA-N 417.534 5.585 0 40 HKAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)N[C@H]1CCC[C@H](C(F)(F)F)C1 32802909 RQMRHUPZMCKPDN-STQMWFEESA-N 423.460 5.477 0 40 HKAB COc1cccc(-c2ccc(SCc3nc(-c4ccc(SC)cc4)no3)nn2)c1 33022018 AJTPNSRIAAXJNZ-UHFFFAOYSA-N 422.535 5.216 0 40 HKAB COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)Nc1ccccc1F 35289729 FPRPAPPJSXWTQE-UHFFFAOYSA-N 415.896 5.325 0 40 HKAB O=C(CSc1ncc(-c2ccccc2)n1-c1cccc(Cl)c1)N1CCCCC1 44087211 ZEUBOGYPXJFZAK-UHFFFAOYSA-N 411.958 5.297 0 40 HKAB CCOC(=O)c1c(N[C@H]2OC(=O)c3ccccc32)sc2c1CC[C@@H](C(C)(C)C)C2 44827185 QEQUPJBPQHPCDQ-YJYMSZOUSA-N 413.539 5.357 0 40 HKAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 59500413 AZFCXAMLNFMJJM-ZQFKLAOWSA-N 413.904 5.301 0 40 HKAB biogenic CC(C)CCC[C@@H](C)[C@H]1C[C@@H](O)[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 64634202 MSKYNEGIINKEKI-PRKDSDQMSA-N 404.679 6.439 0 40 HKAB in-vitro O=c1c2sccc2nc(SCc2ccc(F)c(F)c2)n1Cc1ccccc1F 67259920 FNWKGSIEGCZMAM-UHFFFAOYSA-N 418.465 5.216 0 40 HKAB COc1cccc(NC2=NC(=O)S/C2=C\c2ccc(OCc3ccccn3)cc2)c1 72401485 VMRQLZWDPVAFJL-BKUYFWCQSA-N 417.490 5.388 0 40 HKAB COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc(F)cc2-c2ccc(F)cc2)n1 84147697 QNPWTQZCCRGLGO-UHFFFAOYSA-N 419.431 5.387 0 40 HKAB CC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 89331178 IFKHMZWBQKULNP-UHFFFAOYSA-N 401.871 5.136 0 40 HKAB CC(C)c1ccccc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 98072807 HSEMNVNBWROTGB-UHFFFAOYSA-N 422.266 5.392 0 40 HKAB COC(=O)c1c(C)[nH]c(-c2ccc(Cl)cc2Cl)c1[C@H]1C(=O)Nc2ccccc21 101638649 YEUGZFGNLDLMFX-KRWDZBQOSA-N 415.276 5.168 0 40 HKAB CC1(C)CC2=Nc3nc(SCc4ccccc4)nn3[C@@H](c3cccnc3)C2=C(O)C1 102679076 PRLQMMXCFVIUTF-FQEVSTJZSA-N 417.538 5.273 0 40 HKAB CN(Cc1csc(-c2cccs2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 108064413 YBKRXEMNQHRPKO-NVXWUHKLSA-N 411.379 5.269 0 40 HKAB CC(C)c1ccc(CCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 218993047 TVNNUDQAPPCJHJ-UHFFFAOYSA-N 421.968 6.405 0 40 HKAB COc1ccccc1CCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 219842724 IJQYGCHTUZMWHM-UHFFFAOYSA-N 409.913 5.290 0 40 HKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(OC)c(C)c1 222990482 FEUPOROYTAOFDS-JOCHJYFZSA-N 414.977 5.137 0 40 HKAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 224615993 MIFXNYKMBUFWDA-GOTSBHOMSA-N 413.502 5.224 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2F)cc1CSc1ccc(Cl)cc1 224672303 GJJOWQWFEOYPIA-UHFFFAOYSA-N 415.917 6.422 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c2ccccc2O1 224990176 IHPUXPYBGSUASL-HYBUGGRVSA-N 420.597 5.731 0 40 HKAB COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1C 225623757 SQRFWLSPRFABFU-UHFFFAOYSA-N 417.914 5.559 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c2ccccc12 225768778 XATAORHVUYNPAY-UHFFFAOYSA-N 417.549 6.478 0 40 HKAB Cc1ccc(COc2c(Cl)cc(/C=C/c3nnc(N)o3)cc2Br)cc1 226341784 OKZXENZMNCONEU-VOTSOKGWSA-N 420.694 5.126 0 40 HKAB CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C)C(C)C 257348012 ARVGMISWLZPBCH-HDWYHOTBSA-N 412.702 7.945 0 40 HKAB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)[C@H](O)C[C@@]4(C)[C@H]3CC[C@@]12C 257349630 POCIWPZSSSLOPM-OIZOTFRBSA-N 418.706 6.685 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4ccc(Cl)cc4)o3)N21 260756046 DAKZMLRQPQXEDW-CZAAIQMYSA-N 409.942 5.974 0 40 HKAB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1cccc(C)c1 408563252 UZNRYGGVJLLLIU-ATJXCDBQSA-N 405.350 5.901 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)c1 408697430 HJLFSDRPYBHKTM-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2c(C)cccc2Cl)nc1-c1ccc(F)cc1 408698054 NDGYGPHURUYHGG-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB COc1cccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c1O 408808709 NANSQRITAZRGOU-UYOBMNBSSA-N 423.558 5.455 0 40 HKAB COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1ccccc1Cl 409022481 PXOACJQFRRPBJJ-YBFXNURJSA-N 417.914 5.372 0 40 HKAB Cc1ccc(OCc2nn(CC(=O)Nc3ccc(Cl)c(Cl)c3)c(=S)o2)cc1 409156059 KERROSOBFDNKKO-UHFFFAOYSA-N 424.309 5.039 0 40 HKAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(SCc2ccc(Cl)cc2)n1 409386983 XXZLBUCDSPXLQN-UHFFFAOYSA-N 415.267 6.762 0 40 HKAB CCc1nc(CCNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)cs1 522550193 MACLOVPRWBHLDG-UHFFFAOYSA-N 406.507 5.003 0 40 HKAB O=C(Nc1ccc(Br)cc1Br)c1ccc(Cl)c(Cl)c1 844787 MAJYJQNWTNXXOQ-UHFFFAOYSA-N 423.919 5.771 0 40 HKAB Cc1ccc(-c2csc(N(Cc3ccco3)C(=O)COc3ccccc3)n2)cc1 932719 KQLQKJAHXMQTPW-UHFFFAOYSA-N 404.491 5.324 0 40 HKAB Cc1nc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)c2c(C)c(C)sc2n1 1340332 CQTOZAIAAZDQPU-UHFFFAOYSA-N 413.612 5.536 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1 1355208 OJYCNLBGQFGNAQ-QFIPXVFZSA-N 419.456 5.253 0 40 HKAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 1385885 MKDBXWIZJQAGBT-FQEVSTJZSA-N 410.304 5.584 0 40 HKAB CCOC(=O)c1c2ccc(OCc3cccc(C(F)(F)F)c3)cc2n2ccccc12 1398645 CIQWQCCCKISODC-UHFFFAOYSA-N 413.395 5.867 0 40 HKAB O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)-c1ccccc1C2 1717010 LNIBWMGLLPEMHJ-UHFFFAOYSA-N 405.453 5.875 0 40 HKAB Nc1ccccc1S[C@H](CC(=O)c1ccccc1)c1c(Cl)cccc1Cl 1720678 OENCHEBBVZSWKN-HXUWFJFHSA-N 402.346 6.682 0 40 HKAB CCCCCSc1nnc2n(C)c(=O)c3c4c(sc3n12)C[C@H](C(C)(C)C)CC4 1764064 YTUZUWRJCYAXSQ-CYBMUJFWSA-N 418.632 5.076 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)ccc1C(C)C 1770624 ZGKONCZEKACUFF-UHFFFAOYSA-N 409.526 5.625 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc1 2056846 RHFLMGXOCITVLI-UHFFFAOYSA-N 420.896 6.579 0 40 HKAB COc1ccc(-c2nc(-n3c(C)c4c(C)nnc(C)c4c3C)sc2C)c(OC)c1 2224353 KBUXSCVFXZCAQG-UHFFFAOYSA-N 408.527 5.103 0 40 HKAB CCOC(=O)c1cccc(-n2c(-c3ccccc3C)nc3nc4ccccc4nc32)c1 2234937 HFWOFLYPEXHTAB-UHFFFAOYSA-N 408.461 5.121 0 40 HKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Cl)c1)N(Cc1ccco1)C3=O 2368206 UZKIEXIZJARMAQ-OAQYLSRUSA-N 419.864 5.402 0 40 HKAB Clc1cccc(Cl)c1CSc1nnc(-c2ccccc2)n1Cc1ccco1 2452779 VKWUIQVUVAULEL-UHFFFAOYSA-N 416.333 6.186 0 40 HKAB C[C@H]1CCCC[C@H]1n1c(SCC(=O)c2ccccc2F)nnc1-c1cccnc1 2622641 XNGHLBNZTFWSAM-HNAYVOBHSA-N 410.518 5.205 0 40 HKAB Cc1ccc2nc(NC(=O)CSc3ncnc4c3oc3ccccc34)sc2c1 2722797 DKTIQPXIOHICDC-UHFFFAOYSA-N 406.492 5.025 0 40 HKAB aggregator COc1ccccc1Cn1c(SCc2ccccc2C)nc2ccccc2c1=O 2969987 VWYYDOYHIQAQMP-UHFFFAOYSA-N 402.519 5.054 0 40 HKAB Cc1ccc(Oc2ccc(Oc3ccc(Oc4ccc(C)c(C)c4)cc3)cc2)cc1C 3010237 UHMAAHBMYKQQFI-UHFFFAOYSA-N 410.513 8.297 0 40 HKAB Cc1c(Sc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc(Cl)cc1 3169091 HZNXDDZLDIZKMS-UHFFFAOYSA-N 412.341 6.937 0 40 HKAB CC(C)c1ccccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 3229339 NNRBOTRZBNVOAR-UHFFFAOYSA-N 419.575 6.213 0 40 HKAB CCOC(=O)c1sc(Nc2ccc(F)cc2)c(-c2nc3ccccc3s2)c1N 3270644 CGULHFRZGZHYBC-UHFFFAOYSA-N 413.499 5.666 0 40 HKAB O=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)c1ccc(Br)cc1 3356191 JGTOACXLSUQQLP-UHFFFAOYSA-N 407.292 5.959 0 40 HKAB Cc1c(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)oc2c1ccc1ccccc12 3427813 WYNNQVJPRSBREY-CYBMUJFWSA-N 408.841 5.127 0 40 HKAB COc1ccc(C)cc1N(C(=O)COc1cccc(F)c1)c1nc2ccccc2s1 3547593 JKRBQWQOTRHYAW-UHFFFAOYSA-N 422.481 5.496 0 40 HKAB aggregator O[C@H](Cc1ccccc1)C(Cc1ccccc1)=NNc1ccc(Br)cc1 4265667 OQKJETUUXLFLIA-JOCHJYFZSA-N 409.327 5.063 0 40 HKAB biogenic C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 4321297 BLKGOEBISCPGCY-HRAATJIYSA-N 412.942 5.481 0 40 HKAB CCN(CC)CCCOC(=O)c1c(C)n(-c2cccc(C)c2)c2ccc(OC)cc12 4622676 BCQNGLHWYGJJHM-UHFFFAOYSA-N 408.542 5.145 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1 4690485 JHRQPZQAGPVXHO-KPKJPENVSA-N 408.885 5.961 0 40 HKAB COc1ccc([C@@H](Nc2ccccc2)P(=O)(OCC(C)C)OCC(C)C)cc1 4817129 GXAFGGCVEWDOIJ-QFIPXVFZSA-N 405.475 6.344 0 40 HKAB CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 5092932 IXKSMAWTHOQNQN-FQEVSTJZSA-N 416.352 5.349 0 40 HKAB Cc1c([C@H]2[C@@H](CCNC(=O)c3ccccc3)C2(C)C)c2ccc3ccccc3c2n1C 5477738 GPAQXIUXIAYECU-ILBGXUMGSA-N 410.561 6.200 0 40 HKAB CCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2F)no1 5562723 FHZUZRYRLOTYHO-UHFFFAOYSA-N 403.413 5.194 0 40 HKAB CCCCCC(=O)Nc1ccc(C(=O)CSc2nc(-c3cccs3)n[nH]2)cc1 6035403 ABFSDLSGGLXWEL-UHFFFAOYSA-N 414.556 5.027 0 40 HKAB CN(C)c1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(Cl)cc32)cc1 6135793 OBKYCBGTWVZFFI-UHFFFAOYSA-N 409.320 5.493 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 6239187 WRQJCWYZRHSZOF-BJMVGYQFSA-N 418.459 5.317 0 40 HKAB CCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)C1=O 6438614 RDYGTLDXUZOADN-ZSOIEALJSA-N 401.793 5.675 0 40 HKAB COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)c(OC)c1 6642079 KHTQBWLJEZPZAP-RLBMAAIXSA-N 407.554 5.085 0 40 HKAB O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1ccc(Cl)cc1 6649917 MNANDXHXFKNIGD-UHFFFAOYSA-N 405.860 5.513 0 40 HKAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1Oc1ccccc1 6881582 PWUFUBFRULIFKD-UHFFFAOYSA-N 404.466 5.923 0 40 HKAB CCOc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(C)cc1 6961258 CFQBRRRLYLJRAN-XMMPIXPASA-N 404.535 5.670 0 40 HKAB O=C(NC1CC1)[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)c1ccccc1 7179867 RDCMVKDQWXYONX-HXUWFJFHSA-N 422.554 5.155 0 40 HKAB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1cccc2c(Cl)cccc12 7389454 YMBOLWFIZHALJG-UHFFFAOYSA-N 413.864 5.626 0 40 HKAB Cc1nc(-c2ccc(CNC(=O)c3cc(Br)ccc3F)s2)cs1 7821311 FDVKULDQWMXOBF-UHFFFAOYSA-N 411.321 5.012 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)cc2)c1 7882220 IVYXNVUIWSXVJE-KRWDZBQOSA-N 420.896 5.432 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)cc2)c1 7882543 JXEQFXPZZHXDNI-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB COc1ccccc1/C=C/C(=O)Nc1cccc(-c2nnc(-c3ccc(C)cc3)o2)c1 8215263 KZGSLXGUDODOMZ-CCEZHUSRSA-N 411.461 5.373 0 40 HKAB O=C(Cc1cccc(F)c1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 9051188 YEGMUSFMVKTVBB-UHFFFAOYSA-N 416.374 5.278 0 40 HKAB O=C(Nc1c(C(=O)Nc2ccccc2F)oc2cccnc12)c1ccc(Cl)cc1 9108119 QLRCFTISMYKBKR-UHFFFAOYSA-N 409.804 5.125 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(S[C@@H]3CCC(=O)C3)n2Cc2ccccc2)cc1 9218479 KEOINHVYAKNNLW-OAQYLSRUSA-N 405.567 5.505 0 40 HKAB Fc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)n3c(nc4ccccc43)N2)cc1 9291359 QNVLQJZPGKNICT-FPOVZHCZSA-N 422.301 6.084 0 40 HKAB O=C(CSc1nc2ncc(Cl)cc2[nH]1)Nc1cc(Cl)c(Cl)cc1Cl 9308258 OIOKNBBLRZVWIZ-UHFFFAOYSA-N 422.124 5.302 0 40 HKAB Cc1cccc(-c2nnc(SCCCC(=O)c3cccs3)n2Cc2ccco2)c1 9465429 UDEZZJYQFXTDOC-UHFFFAOYSA-N 423.563 5.712 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2ccc(F)cc2)nc2ccccc12 9764297 DSJMPIMBNIVMHW-UHFFFAOYSA-N 411.263 6.600 0 40 HKAB Cc1ccc(Nc2c(S(=O)(=O)c3ccccc3)cnc3ccc(Cl)cc23)cc1C 9969978 BOJYNXJOGKUGTH-UHFFFAOYSA-N 422.937 6.081 0 40 HKAB COc1ccc(N(Cc2ccccc2)C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 11916102 YESGPTDVFINRNJ-UHFFFAOYSA-N 418.880 5.851 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3ccc(C)o3)C[C@@H]21 12196233 FOEKZMRTFDMFFI-WMZHIEFXSA-N 410.420 5.507 0 40 HKAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccc(Cl)cc2)cc1 12420654 BYZPHLHEULUCKR-RUZDIDTESA-N 402.925 5.978 0 40 HKAB biogenic,in-vitro c1ccc(-c2ccccc2O[C@@H]2OCCO[C@@H]2Oc2ccccc2-c2ccccc2)cc1 12559191 YAXDSMYNNBMXKF-HNRBIFIRSA-N 424.496 6.177 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1Cl 12856631 YNUCXJKGBKFKKJ-UHFFFAOYSA-N 408.841 5.505 0 40 HKAB COc1cc(OC)c(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1Cl 12873643 UPYQFJZYJXNUIH-UHFFFAOYSA-N 423.856 5.121 0 40 HKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc(CN2CCC(C)CC2)cs1 13040123 ZXJRTGMPBBHFPT-UHFFFAOYSA-N 421.994 5.135 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1SCc1ccccc1 13608713 UNBDKWVBWJKTDQ-UHFFFAOYSA-N 421.871 6.903 0 40 HKAB Cc1cccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 13628117 UXXBLBGGOHBKMO-UHFFFAOYSA-N 416.521 5.562 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl 17091750 FMOQHFJIORUSGK-FPYGCLRLSA-N 419.255 5.539 0 40 HKAB Clc1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(Cl)c1 19359475 FIBDECRUKSXWBT-UHFFFAOYSA-N 411.376 5.901 0 40 HKAB O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccccc3)CC[C@H]21 19372264 UMKQUWXNOQCKLL-CQOQZXRMSA-N 420.553 5.018 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(OCCSc2ccccc2)cc1 20048843 ZIQGUDZDMXUVCH-UHFFFAOYSA-N 418.345 6.417 0 40 HKAB COc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccc(F)cc1 22074562 MCHLLNDXMJSVEV-UHFFFAOYSA-N 417.883 5.538 0 40 HKAB C[C@@H](Sc1nnc(NCCc2cccs2)s1)c1nc(-c2cccs2)no1 26118193 RSRSDFQMNNUEQR-SNVBAGLBSA-N 421.598 5.219 0 40 HKAB CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3cccc(CN4CCCC4=O)c3)cc2C1 29291116 BBADITIISIRAAD-SFHVURJKSA-N 410.583 5.274 0 40 HKAB COC(=O)CCC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@]4(C)C=C[C@@]3(CC[C@H]21)C4 31165839 CNEWEMXPRRKCTL-KLDKJETLSA-N 402.575 5.452 0 40 HKAB biogenic,in-vitro Clc1ccc(Cc2nc(CSc3nnc(-c4ccncc4)o3)cs2)cc1 32324407 ZLMHKEKMMPZTOQ-UHFFFAOYSA-N 400.916 5.125 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 35033171 APYVEUGLZHAHDJ-XZPSAQQASA-N 404.679 6.439 0 40 HKAB COc1cc(CNc2ccc(Br)cc2C)cc(Br)c1OC 35163852 AVXNAGATCPNATJ-UHFFFAOYSA-N 415.125 5.149 0 40 HKAB COc1ccccc1-c1ccc(CN(Cc2ccccc2)C2CCN(C)CC2)cc1 35316526 QWNVCVNGYVOPRE-UHFFFAOYSA-N 400.566 5.459 0 40 HKAB O=C(c1ccc(CN2CCCCCC2)cc1)N(Cc1ccccc1)Cc1ccccc1 38833114 FHXOKTNYKIVPFT-UHFFFAOYSA-N 412.577 5.905 0 40 HKAB CCc1ccccc1O[C@H](C)C(=O)NCCSCc1ccc(Cl)cc1Cl 44901656 FXSPGGFYUUVYPP-CQSZACIVSA-N 412.382 5.373 0 40 HKAB CCCN1COc2ccc3c(=O)c(-c4ccccc4OC)c(C(F)(F)F)oc3c2C1 54313675 CFWCPCZQDUHAAH-UHFFFAOYSA-N 419.399 5.049 0 40 HKAB biogenic CC(=O)N(c1ccc(C)c(C)c1)c1nc(CN2CCC[C@@H]2c2ccc(F)cc2)cs1 58134850 CXUBRBQEKMSUFX-HSZRJFAPSA-N 423.557 5.921 0 40 HKAB CC1CCN(C(=O)c2ccc3oc(-c4cc(Cl)cc(Cl)c4Cl)nc3c2)CC1 59843035 PKFQRGAISABMCF-UHFFFAOYSA-N 423.727 6.327 0 40 HKAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(Cc1ccccc1F)C3 61997737 BAXKPLWAUGXSTA-UHFFFAOYSA-N 415.464 5.183 0 40 HKAB biogenic C[C@@H](NC(=O)c1cc(F)ccc1-c1ccccc1)c1nc(-c2ccc(F)cc2)no1 65492073 YPISKGYLCFCHQE-CQSZACIVSA-N 405.404 5.173 0 40 HKAB C[C@H]1C[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 71787242 LRIHIWBTHWOYBB-JWJTUTPFSA-N 402.581 8.161 0 40 HKAB Cc1sc2c([C@H]3CCCN(CC4=CCCOC4)C3)nc(Nc3ccccc3)n2c1C 72390984 MNFWJMKPJRSCGI-FQEVSTJZSA-N 422.598 5.282 0 40 HKAB Cc1cccc(OCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)c1 95946751 UXJPRJBLCAUBBU-MPCABEJQSA-N 416.477 5.383 0 40 HKAB COc1ccccc1[C@@H]1N=C(Nc2nc3ccccc3o2)N=C2CC(C)(C)CC(O)=C21 102679692 HPGLJDSIXQMBOJ-NRFANRHFSA-N 416.481 5.432 0 40 HKAB Cc1ccc(C)c([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 106617373 KRYSMUHJOXJMMU-ATIYNZHBSA-N 412.489 5.317 0 40 HKAB CCn1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c2ccccc21 106741470 ZWUUAKXCYQALRG-GRSHGNNSSA-N 414.889 5.690 0 40 HKAB C[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 109124489 BYDWBBBCLHKVDW-LLVKDONJSA-N 408.310 5.013 0 40 HKAB CC(=O)O[C@H]1C/C=C(\C)CCCC(C)(C)[C@H](OC(=O)c2ccc(O)cc2)/C=C/1C 135867508 OLNKZJLTVQZYLK-HGZUKCIGSA-N 400.515 5.342 0 40 HKAB Cc1cccn2cc(-c3cccc(NC(=O)[C@H](c4ccc(Cl)cc4)N(C)C)c3)nc12 141548211 VYTOKBUGNFDMLK-QFIPXVFZSA-N 418.928 5.205 0 40 HKAB Cc1ccc(S(=O)(=O)[C@@H]2C(C)(C)[C@]2(Sc2ccccc2)[Si](C)(C)C)cc1 195759537 QVDHHDKFQGJMOJ-TZIWHRDSSA-N 404.673 5.586 0 40 HKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 222670843 JDTMOJDAUUQOGX-FQEVSTJZSA-N 416.565 5.104 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1cccc(OC(C)C)c1 223028247 ROCHZHVMBYQCJH-QFIPXVFZSA-N 403.950 5.342 0 40 HKAB CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223420134 KUJJWCWINUWFSA-JOCHJYFZSA-N 414.977 5.372 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1C 224263727 FVRXMVSSHIEHAR-VXKWHMMOSA-N 404.583 5.432 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccc(C)cc1 224472274 KMZIGBNXHNSOJN-UHFFFAOYSA-N 407.535 5.947 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3c(F)cccc3F)o2)c1 224900457 PXSFAMJVZYGOAK-UHFFFAOYSA-N 406.388 5.548 0 40 HKAB COc1ccccc1CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257292981 QNQOQWKQHKAJRS-NRFANRHFSA-N 424.928 5.224 0 40 HKAB CCCc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccc(Br)cc1 408831397 QQZTUTRLUAEYSD-UHFFFAOYSA-N 415.356 6.086 0 40 HKAB COc1ccc(/C=C2/N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)cc1O 408838883 JSGPYWXTNMCCKY-WUXMJOGZSA-N 420.273 5.267 0 40 HKAB CC[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(Br)cc2)C1=O 409020985 WOKBLWZQHUQVRZ-PILJQMSFSA-N 405.317 5.075 0 40 HKAB Clc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccccc2)cc1 409102761 UAPFOTTYYCZWLT-UHFFFAOYSA-N 421.953 5.683 0 40 HKAB CCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)ccc1OCc1ccc(F)cc1 409111334 IDIYIOJJNVYGIQ-JCMHNJIXSA-N 417.480 5.711 0 40 HKAB CCOc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1ccccc1 409197590 JMGFZLHKJGLXSZ-UHFFFAOYSA-N 403.547 5.398 0 40 HKAB Cc1ccc(S[C@H](CS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 409219329 POGQERNADONBHO-OAQYLSRUSA-N 402.968 5.956 0 40 HKAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc2c[nH]nc2c1 613339423 UTFARFMRBZNYMZ-UHFFFAOYSA-N 410.886 5.091 0 40 HKAB Cc1noc(/C=C/c2ccccc2)c1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 675031339 ZBPDVNBLJASUNL-BUHFOSPRSA-N 400.475 5.830 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)cc1Cl 849868 IAJSUGXACVENJP-UHFFFAOYSA-N 413.260 6.063 0 40 HKAB O=C(Nc1ccccc1C(=O)Nc1ccccc1Br)c1cccs1 852989 BBOLPMTZQZBOAK-UHFFFAOYSA-N 401.285 5.015 0 40 HKAB CC(=O)Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 992857 PVXQCQSQXHUXGQ-JOCHJYFZSA-N 407.853 5.079 0 40 HKAB O=C(Nc1ccc2ccccc2c1)c1ccc(COc2ccc(Cl)cc2Cl)o1 1103857 YISITNXXFSHUPY-UHFFFAOYSA-N 412.272 6.571 0 40 HKAB COc1ccc(-c2cc(=O)oc3c(C)c(OC/C=C(\C)CCC=C(C)C)ccc23)cc1 2134475 SGFOETJOCHRQKB-XDJHFCHBSA-N 418.533 6.849 0 40 HKAB Cc1cccc(-n2c(SCc3ccccc3F)nc3sc(C)c(C)c3c2=O)c1 2143333 ZOMLESYGAMIXJK-UHFFFAOYSA-N 410.539 5.804 0 40 HKAB Clc1nccc2ccc(OCCCCOc3ccc4ccnc(Cl)c4c3)cc12 2182849 UGPOBWJTWYNHDY-UHFFFAOYSA-N 413.304 6.328 0 40 HKAB CC[C@@H](C)COC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 2195638 XOHJZBXKVFCIJT-CQSZACIVSA-N 422.916 5.071 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 2269018 ADKBOWDJMNJRCQ-QGZVFWFLSA-N 400.478 6.026 0 40 HKAB COc1ccccc1[C@H](Nc1ccccc1Br)c1c(C)[nH]c2ccccc12 2546262 ILVQAVAPBPADPA-QHCPKHFHSA-N 421.338 6.449 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl 4545778 OUTXWHNKLCHHLR-SLDJAQPHSA-N 415.942 6.062 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)sc(C)c1C 4558409 RKKKDSVMDOOUSU-SNVBAGLBSA-N 416.326 5.254 0 40 HKAB COc1ccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2Cc2ccccc2)cc1 4860684 ZFPUALIKCZYFGQ-GDLZYMKVSA-N 418.540 6.714 0 40 HKAB CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 5023518 YZHRYQRTNJZSCM-GOEBONIOSA-N 423.504 5.434 0 40 HKAB COc1cc(C2SCCS2)ccc1OC(=O)c1cccc(Br)c1 5244484 NGUHDBRHAPYZHA-UHFFFAOYSA-N 411.342 5.156 0 40 HKAB Cc1cccc(-c2nc3c(c(SCC(=O)c4ccccc4)n2)COC(C)(C)C3)c1 5265399 LCKCRPQHNLCTDD-UHFFFAOYSA-N 404.535 5.278 0 40 HKAB CCCCCCSCCOCCOCCOC[C@H](O)CSCCCCCC 5418276 MDXQPBYSBLVMOM-NRFANRHFSA-N 424.713 5.024 0 40 HKAB O=C(Nc1ccc(CC23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1Br 5578108 STDJBCJHQNGGJS-UHFFFAOYSA-N 424.382 6.460 0 40 HKAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@@H]3CCCc4ccccc43)o2)cc1C 5779280 ZIACNDWQTCJCLG-OXJNMPFZSA-N 407.539 5.028 0 40 HKAB Cc1sc2ncnc(Sc3ccccc3C(=O)NCc3cccs3)c2c1C 5937340 VJVDJLMMMIRHCJ-UHFFFAOYSA-N 411.577 5.451 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)o2)cc1C 6301375 DKYAQCUDPGLTDP-UHFFFAOYSA-N 400.434 5.661 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2cc(Cl)ccc2C)cc1OC 6328410 DZBDLEFKJDMZKT-UHFFFAOYSA-N 412.711 5.461 0 40 HKAB O=C(Nc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 6424158 WGDPGTZDVBAERO-UHFFFAOYSA-N 410.260 5.284 0 40 HKAB COc1cc(-c2c/c(=N\c3ccc(C)cc3)c3ccccc3o2)cc(OC)c1OC 6756338 DSUHXLLRGBNQGM-LHLOQNFPSA-N 401.462 5.666 0 40 HKAB CC(C)(C)c1cc(Cl)cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1O 6781504 QLEJZZPHFFWEPJ-UHFFFAOYSA-N 403.006 7.235 0 40 HKAB O=C(NC1CC1)[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)c1ccccc1 7150845 XQAJZKLNVWLAQK-HSZRJFAPSA-N 411.530 5.409 0 40 HKAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 7939783 SZGIMOPEQKWUFA-UHFFFAOYSA-N 410.473 5.314 0 40 HKAB O=C(CCC(=O)OCc1ccc(Cl)cc1)Nc1ccc2c(c1)oc1ccccc12 8475420 JDJNBOADNOIKLS-UHFFFAOYSA-N 407.853 5.702 0 40 HKAB CCc1ccc([C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(Cl)cc2)cc1 8782951 XIRUETAAURBFGS-RUZDIDTESA-N 419.996 7.626 0 40 HKAB C[C@H]1C[C@H](NC(=O)c2csc(NC(=O)Nc3ccc(Cl)cc3)n2)CC(C)(C)C1 9319028 HXVPWAZVCKJZBP-WFASDCNBSA-N 420.966 5.385 0 40 HKAB Cc1cccc(C2=N/C(=C\c3ccccc3OC(=O)c3ccc(Cl)cc3)C(=O)O2)c1 9434569 XGPPULYWPJOMGH-ZHZULCJRSA-N 417.848 5.212 0 40 HKAB Cc1ccc2c(COC(=O)c3ncc(Cl)c(Cl)c3Cl)cc(=O)oc2c1C 9643326 VSWOLDRCYOCKKW-UHFFFAOYSA-N 412.656 5.122 0 40 HKAB CCCc1ccc(-c2ccc(-c3noc(-c4ccc(OCC)c(F)c4F)n3)cc2)nc1 9730599 QKRYKPMQSHNAIR-UHFFFAOYSA-N 421.447 6.095 0 40 HKAB O[C@H](CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)c1ccccc1 11431222 FFXFGQNHHURWIA-OAQYLSRUSA-N 421.953 5.473 0 40 HKAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)cc1OC 12062786 KMHAFBXFHOQGAR-IZHYLOQSSA-N 402.519 5.515 0 40 HKAB CC(C)Cc1ccc([C@@H](C)C(=O)NCCCn2c3ccccc3c3ccccc32)cc1 12401508 KQHRAVXKHPQOHI-OAQYLSRUSA-N 412.577 6.303 0 40 HKAB COc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)cc1OCc1cccnc1 12523268 PNZMTUQUVQIWOH-QHCPKHFHSA-N 424.928 5.450 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cn(-c2ccccc2)nc1-c1ccccc1 12635461 ZGFVQEWFUWXOMR-UHFFFAOYSA-N 423.303 6.490 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCc2ccccc2)cc1 12637061 ZWUKRLCMHAOLSI-UHFFFAOYSA-N 410.520 5.156 0 40 HKAB CC(C)c1ccc(CN(C)[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)cc1 12788065 BLXAMKGCUSBCMK-OAHLLOKOSA-N 407.539 5.561 0 40 HKAB CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(-c2ccc(Cl)cc2)no1 12804095 DRDPWVPTGVEBKJ-UHFFFAOYSA-N 423.822 5.084 0 40 HKAB Clc1ncc(COc2ccccc2CN2CCC(Cc3ccccc3)CC2)s1 12959847 JYZMCHCZCFXCBH-UHFFFAOYSA-N 412.986 5.830 0 40 HKAB CCC(CC)c1nnc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)s1 12981398 SGOQFSRIHFFKDV-UHFFFAOYSA-N 408.886 5.450 0 40 HKAB Cc1nc(COc2cccc(C(=O)Nc3ccc(Br)cc3C)c2)cs1 12995711 BVTFCAAQTYMPJH-UHFFFAOYSA-N 417.328 5.354 0 40 HKAB CC(=O)N[C@@H](CC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(C)cc1 13006680 ZALDENOCLSAFJV-QFIPXVFZSA-N 413.477 5.009 0 40 HKAB CCc1ccc2nc(-c3ccc4noc(-c5ccc(C)cc5)c4c3)cc(C(=O)O)c2c1 16789777 IXFRPCYHPLCRBR-UHFFFAOYSA-N 408.457 6.279 0 40 HKAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)nc12 17091182 JLEATJZOTJVQMK-UHFFFAOYSA-N 417.559 5.707 0 40 HKAB CCCc1ncc(-c2cc(C)no2)c([C@@H]2CCCCN2C(=O)CC2CCCCC2)n1 19525508 PZYCGLNUNZKMOK-FQEVSTJZSA-N 410.562 5.417 0 40 HKAB CC[C@@H](C)Nc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(C)cc1 19898481 KRZNDBZIXXAWMG-CQSZACIVSA-N 404.919 5.347 0 40 HKAB COc1cc(CN[C@@H](C)[C@@H](O)c2ccccc2)cc(Cl)c1OCc1cccs1 22107563 FKNRXMIRVXGEBF-YCRPNKLZSA-N 417.958 5.201 0 40 HKAB CCOc1ccc(CCC(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1OCC 22535223 BRARSKDOZFJHQE-QFIPXVFZSA-N 413.558 5.329 0 40 HKAB O=C(CCc1nc(-c2ccccc2)no1)Nc1ccccc1Sc1ccccc1 22839797 HNXXAUWUYXGPIY-UHFFFAOYSA-N 401.491 5.459 0 40 HKAB O=C(c1cccc(OCc2cscn2)c1)N(Cc1ccco1)Cc1cccs1 24461264 ALNLGOHWTAYNIA-UHFFFAOYSA-N 410.520 5.219 0 40 HKAB CC[C@@H](NC(=O)c1ccc(OC)c(OCc2ccncc2)c1)c1ccc(Cl)cc1 24745804 SCCZPGDENRZZNH-HXUWFJFHSA-N 410.901 5.204 0 40 HKAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 25900247 YKDZUHVBEVRFOH-VWLOTQADSA-N 421.610 5.324 0 40 HKAB CC(=O)N(c1nc(CSc2ncc3ccccn23)cs1)c1c(C)cc(C)cc1C 26371429 PPDCAZBWCVYQQX-UHFFFAOYSA-N 422.579 5.693 0 40 HKAB COc1ccc(-c2nn3cc(-c4ccc(Cl)c(Cl)c4)c4c3n2CCCC4)cc1 27525355 YATJEECDVHGPGT-UHFFFAOYSA-N 412.320 6.122 0 40 HKAB CCc1ccc(Nc2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn23)cc1 27585433 AXJVIXIZTRFBNY-UHFFFAOYSA-N 402.498 5.336 0 40 HKAB CSc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)c1 29506760 WOFHBLGJKCBIFS-UHFFFAOYSA-N 404.466 6.122 0 40 HKAB Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@@H](c1c(F)cccc1F)CC(O)=N2 32104376 HOVRZLHDYLCVCU-NSHDSACASA-N 416.424 5.850 0 40 HKAB COc1ccc(NC(=O)C[C@H](C)c2ccccc2)cc1NC(=O)c1cccc(F)c1 32931497 STOPAEFFENAPMD-INIZCTEOSA-N 406.457 5.219 0 40 HKAB COc1ccc(C(=O)CSc2nc(COc3ccccc3)nc3ccccc23)cc1 35292065 WCSJUHYQXCSRRF-UHFFFAOYSA-N 416.502 5.192 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 44840961 GYFXFWFVKADNBQ-LAUBAEHRSA-N 403.950 5.636 0 40 HKAB Cc1ccccc1[C@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1 44947446 LEXKTXGBJYZQKK-JOCHJYFZSA-N 410.311 5.042 0 40 HKAB O=Cc1cn(-c2ccccc2)nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 53944010 GVCOPNRTSGBSEM-UHFFFAOYSA-N 423.299 6.238 0 40 HKAB CC(C)(C)n1nc(C(=O)Nc2cccc(C3SCCCS3)c2)cc1C1CC1 55038155 SFCSZQUFDZZLLT-UHFFFAOYSA-N 401.601 5.637 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cc(F)ccc2Cl)nc1 67294350 SEXMJKBTJCGVNG-ROMGYVFFSA-N 423.831 5.119 0 40 HKAB Cc1ccc(-c2nc(C)c(C(=O)N3CCCc4cccc(OC(F)F)c43)s2)o1 84195523 BALJXVZIGPGLIC-UHFFFAOYSA-N 404.438 5.214 0 40 HKAB Clc1cnc(Oc2ccc(NCc3cn4cc(Cl)ccc4n3)cc2)c(Cl)c1 84414717 AMYJJXYVGJEMMH-UHFFFAOYSA-N 419.699 6.094 0 40 HKAB Cc1ccc([C@@H]2[C@H](C)CCCN2C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)cc1 89632127 YQYRVZFUJAFNQX-XXBNENTESA-N 407.558 5.386 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)N1CCC(Oc2ccc(Cl)cn2)CC1 96024958 DGIYUKUAZRCTAO-UHFFFAOYSA-N 421.928 5.077 0 40 HKAB O=C(NC(=S)Nc1cccc2cc(O)ccc12)c1ccc(-c2ccc(Cl)cc2)o1 109036079 VMNNOMMKVPKPNG-UHFFFAOYSA-N 422.893 5.586 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2 139681179 GRWUUDYNMIUWLF-UHFFFAOYSA-N 402.825 5.033 0 40 HKAB COc1ccc(-c2cccc(CNc3ccc(CN4CCC(C)CC4)cc3)c2)cc1 141529371 AWAFPUHRGPCXNR-UHFFFAOYSA-N 400.566 6.206 0 40 HKAB COc1ccc(-c2nc(Nc3cccc4ccccc34)sc2CC(=O)O)cc1OC 150061573 OIVFQGSZELNYST-UHFFFAOYSA-N 420.490 5.351 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2cccc3ccccc23)c1 205612759 VDYGXJXGQADQKM-KQWNVCNZSA-N 412.514 5.619 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)cc(C)c1Br 218836964 LPNZYXIBYBWGND-UHFFFAOYSA-N 402.210 5.102 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)NCCSCc1ccccc1F 222723866 YXFNEZWBQFLSMX-UHFFFAOYSA-N 418.386 5.415 0 40 HKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1ccccc1Cl 223835675 WXJLCMINBMSAPV-INIZCTEOSA-N 403.975 5.036 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc[nH]2)N1c1ccc(Oc2ccccc2)cc1 224626397 HNLRYXJCRYXJKU-GOTSBHOMSA-N 412.518 5.379 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CCc3ccccc3F)c2)cc1 225280903 UTFNWZZSJVYDDH-UHFFFAOYSA-N 418.512 5.947 0 40 HKAB COc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 225549048 YIPJBSXSAMSSSQ-ZGTUFHAGSA-N 410.598 5.453 0 40 HKAB C[C@@H](COc1ccccc1)NC(=S)Nc1ccc(CSc2ccccc2)cc1 225782537 GRASLOZMOLCORJ-SFHVURJKSA-N 408.592 5.733 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2cccc(C)c2C)cc1 408693631 BGCPHUDKBGLKPK-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)c(Cl)c1Cl 409135821 ZZTPDSWCNBQPQO-UHFFFAOYSA-N 401.098 5.110 0 40 HKAB C[C@H](NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)c1ccccc1 646571 KNWSMJIBSBKYNK-LBPRGKRZSA-N 423.485 5.193 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 1396420 FYQOZNKJMOVJMW-UHFFFAOYSA-N 407.684 5.109 0 40 HKAB COc1ccc(-c2oc(=O)n(CCc3ccccc3)c2-c2ccc(OC)cc2)cc1 1423029 BKIAKLVCRUDUST-UHFFFAOYSA-N 401.462 5.035 0 40 HKAB CCc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 2093652 DTXNHMAPBLYWNR-UHFFFAOYSA-N 420.767 7.400 0 40 HKAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccc(F)cc2)CO4)cc1 2159597 WGSNWSBPNRDZLV-UHFFFAOYSA-N 417.436 5.273 0 40 HKAB biogenic O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC3)c1ccccc1 2239764 IUPMTASWHIRFCH-UHFFFAOYSA-N 424.591 5.427 0 40 HKAB Cc1nc(S[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc(C)c1C 2623815 PIWNXVVARINBOL-LLVKDONJSA-N 403.857 5.193 0 40 HKAB O=C(OCc1c(Cl)cccc1Cl)/C(=C/c1ccc(F)cc1)c1cccs1 3254177 HUTIHPFWZLIMKE-RVDMUPIBSA-N 407.293 6.478 0 40 HKAB COCCCNc1sc(C(=O)c2ccc(Br)cc2)c2c1CCCC2 3273106 VPKYVESWIJPECB-UHFFFAOYSA-N 408.361 5.069 0 40 HKAB COC(=O)c1ccc(/C=C/C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 3296613 AVBMKSLEBYILGY-MDWZMJQESA-N 414.486 5.402 0 40 HKAB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 4123043 IUGWDZWVBCVRJN-UHFFFAOYSA-N 409.599 5.347 0 40 HKAB Brc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 4309669 CJWZLBHPGIHKDP-PXNSSMCTSA-N 411.324 5.753 0 40 HKAB CN(C)c1ccc(C2(Cl)c3ccccc3N(Cc3ccccc3)c3ccccc32)cc1 4367288 MODLNZJTXIJVOR-UHFFFAOYSA-N 424.975 6.935 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccnc1Cl 4476405 PYXLEOFVZFNJST-UHFFFAOYSA-N 400.290 5.917 0 40 HKAB O=C(Cc1cccc2ccccc12)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1 4659761 BJIPMPUCIPPGFY-UHFFFAOYSA-N 414.892 5.927 0 40 HKAB CCCCOc1ccc(-c2ccc(C)cc2)cc1[C@@H]1Nc2ccccc2-c2cc(C)nn21 4708427 JKRIENIXRHKNGB-MUUNZHRXSA-N 423.560 6.985 0 40 HKAB Clc1ccc(/C=C/c2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1 5023501 NVCVSHJBAHHUQN-VGOFMYFVSA-N 409.316 6.593 0 40 HKAB CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4O)coc13)C=CC(C)(C)O2 5158973 IEKQCBVQJGWJRO-UHFFFAOYSA-N 420.461 5.270 0 40 HKAB biogenic,in-vitro Cc1cccc(C)c1NC(=O)[C@]1(c2cccs2)CC(=O)N1c1ccc(Cl)cc1 5451539 OXDNGNLIGSHCDR-JOCHJYFZSA-N 410.926 5.289 0 40 HKAB Cc1nn2c(NCc3ccccc3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 5562862 REEXYEDUWPQPEE-UHFFFAOYSA-N 404.945 6.268 0 40 HKAB Sc1nnc(-c2ccccc2Br)n1-c1ccc(Cl)c(Cl)c1 6508288 IWWIXUFEDSMKOV-UHFFFAOYSA-N 401.116 5.292 0 40 HKAB Cc1nnc(Sc2c(-c3ccccc3)c3ccccc3[nH]c2=O)n1C1CCCCC1 6657734 IRMVZCMPEMCANA-UHFFFAOYSA-N 416.550 5.751 0 40 HKAB Cc1ccc(-c2nnc([C@H](C)Sc3nc(C4CC4)n(-c4ccccc4)n3)o2)cc1 7114020 JOYYGLDQTDSZPZ-HNNXBMFYSA-N 403.511 5.356 0 40 HKAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 7408487 BSAUJJQEEURYFU-UHFFFAOYSA-N 413.477 5.229 0 40 HKAB CCOc1ccccc1Nc1nnc(SCC(=O)c2ccc(Cl)s2)s1 7984100 HIJADRYZKHYLNV-UHFFFAOYSA-N 411.961 5.370 0 40 HKAB O=C1N[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)Nc2ccccc21 8429693 ZOLLXAKXGLVVTD-QFIPXVFZSA-N 400.869 5.047 0 40 HKAB Cc1nc2nc(SCc3ccc(Br)cc3)[nH]c2cc1Br 9308542 IBFLUWOKJSIVLY-UHFFFAOYSA-N 413.138 5.084 0 40 HKAB c1ccc(CCNc2nc(Nc3ccccc3)c3cnn(-c4ccccc4)c3n2)cc1 9648241 LGWWXGFALPANQX-UHFFFAOYSA-N 406.493 5.214 0 40 HKAB CC(C)c1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 9683299 KCKBGIJWNRQSAU-QFIPXVFZSA-N 403.913 6.715 0 40 HKAB Cc1ccc(Cl)c2sc(N(Cc3ccncc3)C(=O)CCc3ccccc3)nc12 10254355 UGESNMNHAPLHBR-UHFFFAOYSA-N 421.953 5.819 0 40 HKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 10433888 PMCXMVCOTAQSKB-UHFFFAOYSA-N 404.510 5.078 0 40 HKAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2ccc(Cl)cc2)on1 11916115 WIGQUHYCPUGNEF-UHFFFAOYSA-N 402.837 5.478 0 40 HKAB COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2cc(Cl)ccc2Cl)n1 12951097 GMIOIXQGGGKTKF-UHFFFAOYSA-N 416.091 5.940 0 40 HKAB O=C(NCCCN1CCCCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1 13649744 OBNWWHPLZYNGLX-UHFFFAOYSA-N 417.018 5.628 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CN1Cc1ccccc1 14095568 SHYBAVXAWDGFTM-QFIPXVFZSA-N 401.554 5.523 0 40 HKAB Cc1c(C(=O)Nc2ccc(I)cc2)oc2ccc(Cl)cc12 14158057 QAMVOMTUSLBXDV-UHFFFAOYSA-N 411.626 5.252 0 40 HKAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc(Cl)ccc1Cl 15317944 MWVYEFYIXPNYMH-UHFFFAOYSA-N 418.349 5.261 0 40 HKAB CCOc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCCCC3)cc1 15953116 YFYTWDJVYRDONY-UHFFFAOYSA-N 412.351 5.319 0 40 HKAB O=C(O)[C@H](Sc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2)c1ccccc1 16477168 NVYQJVLIZXPLIF-HXUWFJFHSA-N 410.926 5.594 0 40 HKAB CCCCCSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 16757798 WLMMFVPIFULVSQ-UHFFFAOYSA-N 407.970 7.023 0 40 HKAB COc1cc(NC(=O)/C=C/c2ccccc2)ccc1NC(=O)c1ccccc1Cl 17087539 HLEYECQNYGBAPO-SDNWHVSQSA-N 406.869 5.253 0 40 HKAB CCOc1cccc(NCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)c1 18212764 GVWJCFSJKWRCQN-UHFFFAOYSA-N 416.525 5.022 0 40 HKAB Clc1ccccc1-c1nnc(CSc2nnc(-c3ccccc3Cl)o2)o1 19928133 ODAFFFDYAHDILR-UHFFFAOYSA-N 405.266 5.386 0 40 HKAB COc1ccc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 20111072 OHFVBHCXILEITQ-OAHLLOKOSA-N 413.926 6.260 0 40 HKAB Cc1cc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)ccc1Cl 20144267 YHGVIHSRDLJTAK-UHFFFAOYSA-N 406.265 5.072 0 40 HKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(N4CCc5ccccc5C4)ncnc32)c1 21798250 JELWMAZYNABSAI-UHFFFAOYSA-N 416.528 5.959 0 40 HKAB CCc1ccc(Cl)c(CC)c1NC(=O)COc1ccc(Oc2ccccn2)cc1 28271313 HCCKVZSGNDCTOK-UHFFFAOYSA-N 410.901 5.670 0 40 HKAB O=C(COc1ccccc1Cl)N(Cc1c(F)cccc1Cl)c1ccccn1 28289651 GDCRUNLKWVCZNR-UHFFFAOYSA-N 405.256 5.140 0 40 HKAB Cc1nc2c3ccccc3nc(S[C@@H](C)c3nc4ccccc4n3C(F)F)n2n1 31185306 NDIAUYYKFROHQV-NSHDSACASA-N 410.453 5.184 0 40 HKAB Cc1cc(NC(=O)c2cccc3ccccc23)ccc1NC(=O)c1cc2ccccc2o1 32111968 OQVMNXRSPHYEGC-UHFFFAOYSA-N 420.468 6.399 0 40 HKAB CCCOc1ccc(-c2noc(Cc3nc(-c4ccc(OCC)cc4)cs3)n2)cc1 33298241 VFBGRKSPKFPQME-UHFFFAOYSA-N 421.522 5.638 0 40 HKAB Cc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)COc3ccccc3F)nc12 35589978 NGLUGAUCVXQWMA-UHFFFAOYSA-N 421.497 5.059 0 40 HKAB CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(C(C)C)cc2)C1 44803580 ZDBBKDIZHGBFFF-IBGZPJMESA-N 418.541 5.007 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)NCc1ccc(CN2CCCC2)cc1 44857220 UXBHCDANIMAKGF-UHFFFAOYSA-N 423.409 5.139 0 40 HKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=O)NC3CCCCC3)C3CCCCC3)cc12 57581581 YWIUEFFHIZSIST-UHFFFAOYSA-N 409.574 5.322 0 40 HKAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 59186106 JGBCJMUDJHMRGS-ZROIWOOFSA-N 424.205 6.765 0 40 HKAB Cc1cc(C)n(-c2nc3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3s2)n1 72229803 ZCTPXUAVONWRBB-UHFFFAOYSA-N 417.321 5.658 0 40 HKAB Fc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 72333662 SKLIOORIKRLJSM-UNMCSNQZSA-N 423.285 5.831 0 40 HKAB CC[C@@](C)(NC(=O)c1ccccc1)c1nc(-c2ccccc2OC(F)F)cs1 78999385 AWVJANWZWLRZGR-OAQYLSRUSA-N 402.466 5.467 0 40 HKAB Cc1ccccc1[C@@H](C)NC(=O)N1CCC(C(=O)c2ccc(Cl)c(Cl)c2)CC1 84234795 WVGLNRLJOYEVAC-OAHLLOKOSA-N 419.352 5.667 0 40 HKAB O=C(NCc1ccc(C(=O)c2cccs2)s1)NCc1cccc2ccccc12 90610612 WDSNRWVNQIKGKL-UHFFFAOYSA-N 406.532 5.193 0 40 HKAB CCCOc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=Nc2ccccc2N1C(C)=O 100425588 VSRDVLMBPJIGLH-VWLOTQADSA-N 418.537 6.288 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(C34C[C@@H]5C[C@H](CC(c6ccccc6)(C5)C3)C4)cc2)cc1 100484372 IJOONULBHPPHJA-GVYIAWKKSA-N 421.584 7.037 0 40 HKAB O=c1[nH]c2c(s1)[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100922126 VTAYVTORGQTMSX-FLTCSQOGSA-N 421.587 5.668 0 40 HKAB CC1(C)CC2=NC(Nc3nc4ccccc4s3)=N[C@@H](c3ccccc3)C2=C(O)C1 102681013 LLVUKSUDIDGOOE-FQEVSTJZSA-N 402.523 5.892 0 40 HKAB COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(SC)cc2)c1 102756702 PSQQZIFLRYPCME-UPVQGACJSA-N 402.519 5.659 0 40 HKAB Cc1cccc(N/C=C2/C(=O)N(c3cccc(Cl)c3)C(=O)c3ccccc32)c1C 103005132 ILZVTMUFCWADJY-KGENOOAVSA-N 402.881 5.597 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(NC(=O)c4ccco4)c3)o2)cc1C 107954344 KGUNTDILBMCKAV-UHFFFAOYSA-N 400.434 5.661 0 40 HKAB COc1ccc(S[C@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1OC 216486044 LHUAXNFXJVMHJS-HOYKHHGWSA-N 421.562 5.399 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1nc(-c2ccccc2Cl)no1 219342590 MSVACBHHACNAGX-IBGZPJMESA-N 421.884 5.017 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4cc(Cl)ccc4C)o3)N21 222715535 DJEHXVPBGXPVBV-NPFVIJTESA-N 423.969 6.283 0 40 HKAB O=C(NCc1cccc2ccccc12)c1ccc(OCc2ccccc2Cl)cc1 222864897 DEOLZCKIEUVSDF-UHFFFAOYSA-N 401.893 6.002 0 40 HKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)cc1C 222934007 DGNKZAOYKOVDIA-DHIUTWEWSA-N 404.583 5.118 0 40 HKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 222989381 LCZYCHSYKVKHCX-HSZRJFAPSA-N 408.542 5.116 0 40 HKAB CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2O1 223961495 WSGNYIBGXVMQMY-JPYJTQIMSA-N 407.554 5.532 0 40 HKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C(C)(C)C)cc3)c2)cc1 224182697 PEWVFQXMTRERBJ-UHFFFAOYSA-N 419.521 5.833 0 40 HKAB CCOc1ccc(C(=O)NCC(C)C)cc1COc1ccc(-c2ccccc2)cc1 224550831 OKLSHNGMGGUPCK-UHFFFAOYSA-N 403.522 5.717 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1CN1CCCCC1 224837854 NQZXVAQHURNZIA-JOCHJYFZSA-N 417.018 5.513 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C 225529913 OXAADJUQXMLGJE-INIZCTEOSA-N 420.380 6.930 0 40 HKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc3c(c2)CCCC3)c1 225634176 JPXBQEIPVDOATL-UHFFFAOYSA-N 407.897 6.272 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(OC(C)C)c1)CC(C)(C)O2 225683977 GOSISDHXGKCEGI-LJQANCHMSA-N 400.544 5.071 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c2ccccc12 225773010 NMODJXIVKBBWNI-FQEVSTJZSA-N 417.549 6.012 0 40 HKAB CCCCN=c1scc(-c2ccc(OC(=O)c3ccccc3)cc2)n1CCCC 245318964 YIFMGOWGSOCGRD-UHFFFAOYSA-N 408.567 5.937 0 40 HKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3cc(-c4ccccc4)cc(C)n3)C2)cc1 257338720 YYRLMUYSNONWPM-JOCHJYFZSA-N 413.521 5.035 0 40 HKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c(C)c1 408621914 QDNJMOYMRBOCTR-UHFFFAOYSA-N 420.490 5.103 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)nn2-c2ccc(Cl)cc2)cc1 408696742 BOVQGYMNQYGBMA-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Oc1nc(-c2ccc(-c3cccc(Cl)c3Cl)o2)nc2sc3c(c12)CCCC3 408734844 KMQSGSGOGMBUFC-UHFFFAOYSA-N 417.317 6.510 0 40 HKAB COc1cccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c1O 408808707 NANSQRITAZRGOU-HKYVQSIISA-N 423.558 5.455 0 40 HKAB COc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1cccc(Cl)c1 409113915 JLTZBZWJCHASMM-UHFFFAOYSA-N 416.348 6.810 0 40 HKAB CCc1cccc2c(/C=C3\SC(=O)N(C(C)C)C3=O)cn(Cc3ccc(F)cc3)c12 409132924 YODZMAZLELHIIQ-MTJSOVHGSA-N 422.525 5.836 0 40 HKAB CCCc1sc(NC(=O)CCC(=O)c2cc(C)ccc2C)nc1-c1ccc(F)cc1 409195374 ICRWEMWXWRQNER-UHFFFAOYSA-N 424.541 6.120 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 409383132 ZNVBNBGTOPTTJW-UHFFFAOYSA-N 402.346 6.846 0 40 HKAB COc1cc(CNc2ccc(NC(=O)C(C)C)cc2)ccc1OCc1ccccc1C 624258 FOFHVJFPKFJGOV-UHFFFAOYSA-N 418.537 5.789 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1C 672959 MZLXAHVXRWAYPA-UHFFFAOYSA-N 410.473 5.542 0 40 HKAB CCOc1ccc(NC(=O)c2c(NC(=O)C(C)(C)C)sc3c2CC[C@@H](C)C3)cc1 722381 HNJIFQUKUAEJIQ-CQSZACIVSA-N 414.571 5.509 0 40 HKAB O=C(c1ccccc1)c1ccc(OC(=O)C2c3ccccc3Oc3ccccc32)cc1 822845 RXHNFTRLGMTDGO-UHFFFAOYSA-N 406.437 5.761 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)c1 887732 KGXIKJCXGYGOHP-UHFFFAOYSA-N 407.857 5.153 0 40 HKAB O=C(C1CCCCC1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2)cs1 932780 CPHWGQDIFUMKEX-GOSISDBHSA-N 404.963 5.556 0 40 HKAB Cc1cc(C)c2c(N)c(C(=O)N3N=C(c4cccs4)C[C@@H]3c3ccco3)sc2n1 1016802 WYBPHKCJQZDRNV-CQSZACIVSA-N 422.535 5.141 0 40 HKAB OC(C[C@@H](c1ccccc1)c1cccc2ccccc12)(c1ccccc1)c1ccccc1 1646506 AVGLOPSEIIZSCL-PMERELPUSA-N 414.548 7.298 0 40 HKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCc1ccc(Cl)c(Cl)c1 2086049 DGKMNBOTBRQFAW-UHFFFAOYSA-N 421.327 6.447 0 40 HKAB CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3 2294024 YYLKDCJDWJKQGP-INIZCTEOSA-N 412.624 6.244 0 40 HKAB O=P1(Nc2ccc(F)c(F)c2F)C=C(c2ccccc2)OC(c2ccccc2)=C1 3185455 WJJFFCNAJBWJHX-UHFFFAOYSA-N 413.335 6.821 0 40 HKAB O=C(c1ccc(Cl)nc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 3282989 STRJXGZOWDRFFB-UHFFFAOYSA-N 405.929 5.046 0 40 HKAB CCn1c(S[C@@H](C)C(=O)c2ccc(Br)cc2)nnc1-c1cccs1 3363069 GZFUWEGVQJMMMW-NSHDSACASA-N 422.373 5.153 0 40 HKAB Cc1cc(C)n2cc(-c3ccc(Cl)cc3)c(C(=O)Nc3c(C)cccc3C)c2n1 3470093 DGVAOPSFXMTESY-UHFFFAOYSA-N 403.913 6.141 0 40 HKAB CCOc1cccc(C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)c1 3655549 QESWTWOSPBBGJQ-UHFFFAOYSA-N 419.864 5.968 0 40 HKAB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)C12CC3CC(CC(C3)C1)C2 4077243 MFXANEHJPCSDET-UHFFFAOYSA-N 413.974 5.427 0 40 HKAB S=C(NCc1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl 4088139 IHOIEVYUJTWNTP-FQEVSTJZSA-N 416.377 5.275 0 40 HKAB Cc1ccc(C(=O)c2c(NC(=O)c3ccc(Cl)cc3)sc3c2CCCC3)cc1 4129669 KKPYVIFUJBSVES-UHFFFAOYSA-N 409.938 6.072 0 40 HKAB CCCCC(=O)Nc1cc(OC)c(NC(=S)Nc2ccc(C)cc2C)cc1OC 4241912 JKFHXLPLUOGYEC-UHFFFAOYSA-N 415.559 5.258 0 40 HKAB O=C(CCc1ccccc1)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 4273314 YGVLGZFUESFAON-UHFFFAOYSA-N 409.461 5.136 0 40 HKAB COc1ccc(-c2ccc3c(N)c(C(=O)C45CC6CC(CC(C6)C4)C5)sc3n2)cc1 4619845 DKWZLYMYGNUEDB-UHFFFAOYSA-N 418.562 5.953 0 40 HKAB CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3c(F)cc(F)cc3Br)c2C1 4881319 UMDCEPMWPJGAHA-SECBINFHSA-N 413.262 5.119 0 40 HKAB CCOC(=O)/C(C(=O)Nc1cccc2ccccc12)=C(/C)Nc1ccc(Cl)cc1C 5456903 XYEDGYANOVDISA-JWGURIENSA-N 422.912 5.689 0 40 HKAB Cc1ccc(C)c(NC(=O)NC[C@H]2C[C@@H](NC(=O)Nc3cc(C)ccc3C)C2(C)C)c1 5542480 HVEOMALVDLXSSR-DENIHFKCSA-N 422.573 5.278 0 40 HKAB Cc1cc(NC(=O)Nc2ccccc2)ccc1N1C(=O)c2cccc(Cl)c2C1=O 5793082 HTBIQVXQRJRGDR-UHFFFAOYSA-N 405.841 5.093 0 40 HKAB COc1ccc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 6128201 BZMLGNHIZDFPNN-UHFFFAOYSA-N 416.908 5.536 0 40 HKAB COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1 6441240 OXLUCWHERRBXJO-HYARGMPZSA-N 417.486 5.042 0 40 HKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)C1=O 6656801 WADZHXXJBHSJEH-KGENOOAVSA-N 411.523 5.419 0 40 HKAB Cc1ccc2c(c1)C(C)(C)[C@@]1(C=Cc3ccc(-c4ccccc4)cc3)NC(=O)CCN21 6912689 RROWJIDBOKEPEV-NDEPHWFRSA-N 408.545 5.689 0 40 HKAB biogenic CC(C)c1ccc(-c2noc(CSc3nnc(C4CC4)n3-c3ccccc3)n2)cc1 7044213 SXUOCWWRZLBRCD-UHFFFAOYSA-N 417.538 5.610 0 40 HKAB O=S(=O)(c1cccc(Cl)c1Cl)N1CCC[C@H]1c1nc2ccccc2s1 7217437 ALCHLYHDJLFYFK-ZDUSSCGKSA-N 413.351 5.129 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)CC1 7505021 HRKISSRVKWVYNW-KRWDZBQOSA-N 421.368 5.035 0 40 HKAB CCOc1cc(CNCc2ccccc2Cl)ccc1OCc1ccccc1Cl 8254714 UDPJJMMQAHUFNQ-UHFFFAOYSA-N 416.348 6.261 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c1 8279959 NDQIRRGPZJEUBB-HNNXBMFYSA-N 421.522 5.313 0 40 HKAB COc1ccc(CN(C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)C2CC2)cc1 8855525 BJNFFTUNEXJKAW-UHFFFAOYSA-N 412.942 5.206 0 40 HKAB Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)c1 9192307 COQKYZSCVHJCLH-HSZRJFAPSA-N 424.500 5.544 0 40 HKAB COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccccc2C)c1 9428405 UDXZLGYNNKQFSX-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 9668724 UONNCYWGLMGHJE-UHFFFAOYSA-N 421.305 5.568 0 40 HKAB O=C(CN1CCC(Cc2ccccc2)CC1)N1c2ccccc2Sc2ccccc21 10381989 QHNOPUCQKNNLKR-UHFFFAOYSA-N 414.574 5.771 0 40 HKAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCc2sccc2[C@@H]1c1cccs1 12947326 HNIHLUGEJQHXFB-HSZRJFAPSA-N 420.559 5.572 0 40 HKAB COc1ccc(CCC(=O)Nc2nc(-c3c(C)[nH]c4ccc(OC)cc34)cs2)cc1 13570709 JUXGQGGICHZSLC-UHFFFAOYSA-N 421.522 5.188 0 40 HKAB COc1ccccc1CC(=O)N(c1nc2ccccc2s1)c1cccc(C)c1C 14017083 YKRVKOCSBYFSGC-UHFFFAOYSA-N 402.519 5.829 0 40 HKAB COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1Cl 16313074 KTHIIECVNGXLGL-JXMROGBWSA-N 402.277 6.222 0 40 HKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)cc1 16902555 YQUFOZUYOMIMSF-LJQANCHMSA-N 415.924 5.567 0 40 HKAB O=C(CN1CCN(C/C=C\c2ccccc2)CC1)Nc1ccc(C2CCCCC2)cc1 20469952 VOTFHDAYWXJOMB-YFHOEESVSA-N 417.597 5.004 0 40 HKAB Cc1ccc2c(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)cccc2n1 21595487 OECHVOOPKKBYQS-XYOKQWHBSA-N 423.299 6.762 0 40 HKAB COc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccc(Cl)cc4)nc32)cc1 21801332 SQSOMKVQWAOHEF-UHFFFAOYSA-N 403.873 5.014 0 40 HKAB COc1ccc([C@H]2NC[C@@H](c3ccccc3Cl)c3c2[nH]c2ccccc32)cc1OC 24334921 FUOOGJQRZOPVRP-MHECFPHRSA-N 418.924 5.663 0 40 HKAB CCCCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)cc1 27583778 KUJZSLAOKDKZMW-JOCHJYFZSA-N 400.950 5.086 0 40 HKAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)C(c1ccccc1)c1ccccc1 27922448 SQVXLANHWLMAHW-UHFFFAOYSA-N 413.496 5.458 0 40 HKAB COc1ccc(CN(C(=O)c2oc3cc(C)c(Cl)cc3c2C)c2ccccn2)cc1 27990011 DCZQSSNJIVGEBX-UHFFFAOYSA-N 420.896 5.954 0 40 HKAB COc1ccccc1[C@@H]1CC(O)=Nc2sc(C(=O)Nc3cccc(C)c3)c(C)c21 32093247 LNECLSLAIJLZDF-KRWDZBQOSA-N 406.507 5.749 0 40 HKAB CCCCOc1ccc(NC(=O)c2cc(=O)c3cc(CC)ccc3o2)c2cccnc12 32622554 PTGSEQULAJMVQR-UHFFFAOYSA-N 416.477 5.335 0 40 HKAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(NC(=O)NC2CC2)c1 32818055 YKJAAWKDNDBCBN-QGZVFWFLSA-N 415.493 5.044 0 40 HKAB CCN(CC)[C@H](CNC(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1 32819098 TZIPNIJSUKGQND-OAQYLSRUSA-N 414.640 5.368 0 40 HKAB Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccc(F)cc2)c1 38501460 JTDGMRCTSYSMTP-UHFFFAOYSA-N 419.431 5.290 0 40 HKAB Cc1ccc(CN2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1 39767010 GFEPYQCAXVWEJH-UHFFFAOYSA-N 410.867 5.518 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(F)c1 49005093 DFMZOMAPBHMMTN-MRXNPFEDSA-N 410.468 5.365 0 40 HKAB CN(Cc1nc(O)c2ccc(C(F)(F)F)cc2n1)Cc1cccc(Cl)c1Cl 58449056 CYEYASZDHLLEFB-UHFFFAOYSA-N 416.230 5.293 0 40 HKAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 59477554 CPYDMZKGNPKBBU-WYMLVPIESA-N 421.456 6.110 0 40 HKAB CCCCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 59488483 QDTCDZNVAMHDPT-HNNXBMFYSA-N 405.325 5.328 0 40 HKAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 59500399 XBTCSUOTGFAZNH-FGEXJBCWSA-N 413.904 5.301 0 40 HKAB biogenic C[S@](=O)c1ccc(C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1 61967665 ORVNCGHKMPOUCN-HHHXNRCGSA-N 421.305 5.170 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(Cl)ccc2C)c(C)c1 67297285 IYUUFWYBRFLIIX-FVDSYPCUSA-N 416.908 6.496 0 40 HKAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1sc2cc(C(F)(F)F)ccc2c1Cl 71804331 JNAZKPSFVYPVOB-UHFFFAOYSA-N 412.776 5.260 0 40 HKAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1Cc1ccccc1 72214765 CVSROGPRUMEGQE-JOCHJYFZSA-N 409.574 5.960 0 40 HKAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccccc1Br 72229857 VPYUXAINVRQBNY-IBGZPJMESA-N 416.702 5.437 0 40 HKAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCCCC[C@@H]2c2ccco2)cc1 72290775 IERBRIWJGHDIKD-GOSISDBHSA-N 410.543 5.043 0 40 HKAB CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2F)cc1Cl 72332658 QDHRKMZQZDBMLG-ZJSXRUAMSA-N 422.887 6.120 0 40 HKAB O=C(c1ccccn1)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72349233 XZYPNQSRQBSVDP-KRWDZBQOSA-N 411.427 5.182 0 40 HKAB COc1ccc(CCN[C@@H](c2ccncc2)c2cccc(C(F)(F)F)c2)cc1OC 95466805 UKBFRJBAEDCKJD-QFIPXVFZSA-N 416.443 5.039 0 40 HKAB O=C(N[C@@H](SCc1ccccc1)C(=O)c1ccc(Cl)cc1)c1cccs1 96346492 QMKPRMQGXDXAJQ-FQEVSTJZSA-N 401.940 5.274 0 40 HKAB O=C(Nc1ccccc1)Nc1ccc(C23C[C@@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1 100845786 QHORTOYRZQOWJR-RGHCOQMCSA-N 422.572 7.120 0 40 HKAB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3ccc(Cl)cc3Cl)S2)cc1 110705543 HIYPHVQRTIHUAV-WOJGMQOQSA-N 420.365 5.731 0 40 HKAB CC(C)c1cc(Br)ccc1NC(=S)NC(=O)c1ccc(Cl)cc1 143348867 CYJHGZJFVXNAKY-UHFFFAOYSA-N 411.752 5.353 0 40 HKAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222804249 YIJYOHVTTVTURC-RBUKOAKNSA-N 418.349 5.641 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 223079052 ZAGBVVGXYMJSHY-UHFFFAOYSA-N 416.496 5.542 0 40 HKAB CC[C@@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc2c(c1)CCCC2 223104714 NBOJLFXWHWJJJL-RUZDIDTESA-N 408.561 5.184 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1Cc1ccco1 223354314 BRIHJFMXGCPTAB-FCHUYYIVSA-N 406.555 5.154 0 40 HKAB CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)ccc1Cl 223718008 DNSZIQCRKMIFSS-NRFANRHFSA-N 415.917 5.192 0 40 HKAB COc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1ccc(Cl)cc1 224156706 QJIOLVGGBMKXKF-UHFFFAOYSA-N 417.892 6.333 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCC2)cc1COc1ccccc1C(C)(C)C 224507388 KSJMGSIYLHDFFT-UHFFFAOYSA-N 409.570 6.024 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)C1CCN(Cc2ccccc2F)CC1 224551451 ZWWLZCSHJVSMJF-UHFFFAOYSA-N 402.469 5.576 0 40 HKAB Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 225026303 GFBFCQCBJVDCIT-VXKWHMMOSA-N 407.514 5.396 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)CC(C)(C)O2 225305740 JPDZXAAHQDFXQN-UWJYYQICSA-N 411.542 5.313 0 40 HKAB S=C(Nc1ccc(Br)c(Cl)c1)NC1(c2ccccn2)CCCC1 225859843 YRBNLDPSKPTNRU-UHFFFAOYSA-N 410.768 5.253 0 40 HKAB CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@H]12)[C@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 253598173 ZRPNFEVAKYBZFA-YLLSMYCHSA-N 412.702 8.089 0 40 HKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(F)c(Cl)c2)C1 257282295 OTEAORVMZBYSJY-VWPQPMDRSA-N 424.343 6.256 0 40 HKAB COc1ccc(Br)c(C(=O)N[C@@H](c2ccsc2)c2cccs2)c1 390826986 RSZVOCJXKYCXHZ-INIZCTEOSA-N 408.342 5.100 0 40 HKAB CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2Cl)C1=O 408598788 BDYRHPVIXAJAKG-YBFXNURJSA-N 401.915 5.611 0 40 HKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccccc2Cl)nc1-c1ccccc1 408696735 BMPSMWDLNRVDSP-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(F)cc2)c1 408696847 FGWFHZKKOLIXNO-UHFFFAOYSA-N 414.484 5.559 0 40 HKAB O=C(O)Cc1sc(Nc2cc(Cl)cc(Cl)c2)nc1-c1ccc(Cl)cc1 408888585 XNHVHSULZCPXDC-UHFFFAOYSA-N 413.713 6.141 0 40 HKAB Cc1sc(Nc2cc(Cl)ccc2Cl)nc1-c1ccc(Cl)c(Cl)c1 409047692 PVAMPSWQUYHRLZ-UHFFFAOYSA-N 404.149 7.476 0 40 HKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1cccc(OCc2ccccc2Cl)c1 409069775 WMNLUKHOAURAQN-FYJGNVAPSA-N 424.283 5.917 0 40 HKAB Cc1ccccc1CSCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 409111073 BLJGJCFLEZNWED-LJQANCHMSA-N 418.562 5.358 0 40 HKAB Cc1cccc(NC(=O)COc2c(Cl)cc(CNc3ccccc3)cc2Cl)c1 409260622 SXQUTIFLTHPKQT-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB CC(C)c1nc(CC2CCCC2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265653 WVZBLXBENHYQBC-UHFFFAOYSA-N 402.332 6.065 0 40 HKAB CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)CCC1CCCC1 881365 MKXGVJDIKGJILX-UHFFFAOYSA-N 414.502 5.238 0 40 HKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCc3ccccc3)cc12 1463695 MIGWKHYCUUPPGJ-UHFFFAOYSA-N 402.446 5.864 0 40 HKAB biogenic O[C@](CCN1CC2CCC(CC2)C1)(c1ccccc1)c1ccc(Br)cc1 1615850 WFSFMHOXGCCDGJ-MTNXOHHFSA-N 414.387 5.197 0 40 HKAB CN1CC[C@@](CCC(=O)OC(C)(C)C)(CN2c3ccccc3Sc3ccccc32)C1 1726504 KPRFXTZPBHBLSP-RUZDIDTESA-N 424.610 5.733 0 40 HKAB COc1ccc([C@H](Nc2ccccc2)P(=O)(OC(C)C)OC(C)C)cc1OC 1825957 RUGMUYVXEDGAEU-OAQYLSRUSA-N 407.447 5.858 0 40 HKAB CCCCNc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccco1 2068446 AKYOANGHVSSQPV-UHFFFAOYSA-N 422.532 6.619 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)cc1 2081573 XAYMVRWLAAYYEM-UHFFFAOYSA-N 424.500 5.948 0 40 HKAB CSc1nc(SCc2ccccc2F)c2c3c(sc2n1)COC(C)(C)C3 2232364 FWQGOZSXLNSJBR-UHFFFAOYSA-N 406.573 5.696 0 40 HKAB CCCN(CCC)CC1c2ccccc2C(CN(CCC)CCC)c2ccccc21 2255647 XJHGDEWGZSBPLY-UHFFFAOYSA-N 406.658 6.508 0 40 HKAB Cc1cccc(/C=C/C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c1 2260825 UFQIEFDNCQITQB-VMPITWQZSA-N 403.334 6.001 0 40 HKAB CSc1ccc(C2=C/C(=C3/N=C(c4ccco4)OC3=O)c3ccccc3O2)cc1 2334805 MCVXCXWGNPIURP-FXBPSFAMSA-N 401.443 5.150 0 40 HKAB O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2741698 ZZXGGMZUFHWJNI-UHFFFAOYSA-N 408.866 5.598 0 40 HKAB O=C(c1ccccc1)c1sc(NC(=O)c2c(F)cccc2F)nc1-c1ccccc1 3187477 XLGNFVOMQISQCN-UHFFFAOYSA-N 420.440 5.572 0 40 HKAB O=C(N/C=C/n1cnc2cc(C(F)(F)F)ccc21)c1ccc(-c2ccccc2)cc1 3198971 KHAKEMCTOKHWMZ-OUKQBFOZSA-N 407.395 5.580 0 40 HKAB Cc1ccc([C@H](OP(=O)(Oc2ccccc2)Oc2ccccc2)C(F)(F)F)cc1 3202755 GIAMOMOTUPOEGC-FQEVSTJZSA-N 422.339 6.881 0 40 HKAB O=C(OCc1cc(Cl)ccc1OC(F)F)c1sc2ccccc2c1Cl 3264824 LWTGGYAPDJEGJS-UHFFFAOYSA-N 403.233 6.167 0 40 HKAB Cc1ccc(Nc2c(S(=O)(=O)c3ccccc3)cnc3ccc(Cl)cc23)cc1 4193543 YRFAUKQXLFFGPE-UHFFFAOYSA-N 408.910 5.773 0 40 HKAB CC(C)c1ccc2nc(Nc3ccc(-c4ccc(C(=O)O)cc4)cc3F)sc2c1 4243169 AVEBRWJRNXUVMM-UHFFFAOYSA-N 406.482 6.668 0 40 HKAB O=C(/C=C/c1ccccc1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 4616716 LZWIZEPFVZMUHW-ZMXJXSKGSA-N 418.540 6.523 0 40 HKAB O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1cccc(Cl)c1Cl 4703967 VORWSWAXLNBIPP-UHFFFAOYSA-N 408.354 5.111 0 40 HKAB CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(C)cc1)C[C@@H]2C(F)(F)F 5100594 LMSOVKXUSILEMH-IACUBPJLSA-N 414.859 5.034 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)COc1ccc2ccccc2c1Br 5346954 BMBZREAGECHNEO-UHFFFAOYSA-N 412.327 6.052 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2F)c(OC)c1 5445364 GTJPKZUHLSDTIJ-XUZZJYLKSA-N 404.441 5.085 0 40 HKAB COc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2cccc(C)c2)cc1 5477743 UKKOPPBSXNWBRV-UHFFFAOYSA-N 405.498 5.683 0 40 HKAB O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1cccs1 6140688 SRQGKQOBZDRRCM-UHFFFAOYSA-N 403.598 5.472 0 40 HKAB COc1ccc(Br)c(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1 6341745 HHYWFXNBPMEFJA-UHFFFAOYSA-N 403.301 5.142 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(CNc2ccc(Br)cc2)o1 7115698 YOHBGTYICZZJRD-UHFFFAOYSA-N 411.259 5.075 0 40 HKAB FC(F)(F)c1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 7191690 KHSZEIIPBSVIPD-PXNSSMCTSA-N 400.425 6.009 0 40 HKAB C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccccc1Cc1ccccc1 7344710 WECMNWUFTIZPOI-KRWDZBQOSA-N 422.525 5.115 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(SC(C)C)cc3)n2)c1 7598070 GMUOBYMJYLQNHM-UHFFFAOYSA-N 414.552 5.580 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)CSCC(=O)N(C)C1CCCCC1 7668740 GIKPTXAPPVYFHN-UHFFFAOYSA-N 404.620 5.396 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(C3CC3)n2C2CC2)c2ccccc2)c1 7851744 ASPDFYJTUGOJKZ-OAQYLSRUSA-N 418.566 5.579 0 40 HKAB O=C(Nc1ccccc1)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 8434733 OHVSVEDMHSINTM-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB CC(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1C 8621103 RYQXDNJRZVDUHJ-UHFFFAOYSA-N 406.532 5.104 0 40 HKAB COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 8902938 BTLMCYHQQOJWKD-UHFFFAOYSA-N 400.478 6.188 0 40 HKAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc21 8958886 WYXSSSRLHSPQQP-UHFFFAOYSA-N 420.431 5.119 0 40 HKAB CC(C)c1ccc(OCC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)cc1 9250758 YEZDTGAJOKZRGG-QHCPKHFHSA-N 414.977 5.186 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(F)c(F)c3F)c2n1 9615680 UOJKVDSKNHQXOE-UHFFFAOYSA-N 415.198 5.285 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(Cc2cccs2)n1C1CC1 9670006 RWMUUDOFKHULFY-CQSZACIVSA-N 422.579 5.419 0 40 HKAB CCC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1 9950059 ULGNZIOIURSQCZ-UHFFFAOYSA-N 422.462 5.273 0 40 HKAB O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)OCCCO2 10218515 LAUGUNDBDVSFNR-UHFFFAOYSA-N 401.462 5.117 0 40 HKAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 10421570 CWTYKVGDOLKLTK-UHFFFAOYSA-N 400.434 5.105 0 40 HKAB CCCOc1ccc(-c2nonc2NC(=O)c2cccc(Cl)c2)cc1OCCC 11915548 GNFBQYOXMRRWLN-UHFFFAOYSA-N 415.877 5.220 0 40 HKAB CCC1=Nc2ccccc2N=C(NC(=O)c2cccs2)[C@@H]1c1ccc(OC)cc1 14608093 VJBAFIJVWYRMHP-OAQYLSRUSA-N 403.507 5.497 0 40 HKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OC(=O)c4cccs4)c2)N3)C1 15947653 VBNCUZIHZUJHJH-HXPMCKFVSA-N 424.547 5.583 0 40 HKAB Fc1ccc(CCNCc2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 16525940 SAFCKOTZCGRJRT-UHFFFAOYSA-N 419.927 6.544 0 40 HKAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 20457820 QBRWXEPMTCLOIM-NRFANRHFSA-N 408.586 5.068 0 40 HKAB Cc1nc(-c2cccc(NC(=O)c3ccccc3SC[C@@H]3CCCO3)c2)cs1 27042013 VEEBXJTXEJKWMQ-SFHVURJKSA-N 410.564 5.642 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)/C=C/c1ccccc1 28296340 YDLGPSRBKLWFAV-LGKUEVIHSA-N 406.610 7.044 0 40 HKAB Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 28411364 LLFRNYZDTAMAFO-UHFFFAOYSA-N 410.473 5.694 0 40 HKAB COc1cc(Nc2nc(SCc3ccncc3)nc3ccccc23)cc(OC)c1 33680277 KJXCRQMCYNYROO-UHFFFAOYSA-N 404.495 5.078 0 40 HKAB Cc1ncc(NC(=O)Cc2ccc(Cl)cc2)n1-c1nc(-c2cccs2)cs1 35682830 SIBCBLVUJBIYKU-UHFFFAOYSA-N 414.943 5.200 0 40 HKAB Cc1cccc(Cn2cnc3c(-c4ccc(Br)cc4)csc3c2=O)c1 38653525 NPDMNPCSUBHAEB-UHFFFAOYSA-N 411.324 5.244 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(CN2CCCc3ccccc32)cc1 44842276 UMAUUJVLERRBCR-UHFFFAOYSA-N 410.439 5.911 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(F)ccc1F 49005085 WHRKXRASDVSZPX-MRXNPFEDSA-N 410.468 5.365 0 40 HKAB Cc1ccc2nsnc2c1NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 57314061 SZIRVVBHVHNLAM-UHFFFAOYSA-N 413.458 5.025 0 40 HKAB CSc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)cc1 67297312 UYGKLHXZNPFENC-QPLCGJKRSA-N 414.530 6.256 0 40 HKAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc5c(c4)OCO5)[C@H](O)[C@@]3(C)CC[C@@H]21 71782831 JFDHIMAJTWDPBB-QEWHBBEVSA-N 418.533 5.334 0 40 HKAB C[C@H](C(=O)N1CCC(c2[nH]c3ccccc3c2-c2ccncc2)CC1)c1ccccc1 72342171 CYEKWOGWBUUSKD-IBGZPJMESA-N 409.533 5.740 0 40 HKAB CC(C)c1cc(Br)c2oc(Cc3ccc(Br)cc3)nc2c1 73638754 YZLHMZYMLWTJSZ-UHFFFAOYSA-N 409.121 6.067 0 40 HKAB CCc1c(Br)c(N)c(Br)c2nc(-c3ccc(C)cc3)oc12 73642707 HXAVQOMINAZTMA-UHFFFAOYSA-N 410.109 5.473 0 40 HKAB CC1(C)CC(=C2[C@H]3C=C[C@H]2[C@H]2C(=C4CC(C)(C)NC(C)(C)C4)C=C[C@@H]32)CC(C)(C)N1 100476708 JWTSWIHDBSKTDE-YCSHWKNNSA-N 406.658 6.079 0 40 HKAB Cc1nn(-c2ccc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)cc2)c(C)c1Br 103029890 ULFUWZCWDJICTO-HRCADAONSA-N 402.336 5.016 0 40 HKAB COC(=O)c1c(C)n(C(=O)COc2c(C)cc(Cl)cc2Cl)c2ccccc12 216862725 XAUTWXFEVKCPOZ-UHFFFAOYSA-N 406.265 5.071 0 40 HKAB Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1Cl 222851414 UHEKLYKOWCKPOY-LEWJYISDSA-N 411.958 5.684 0 40 HKAB O=C(NCc1cccc2ccccc12)c1cc(Cl)ccc1OCc1ccccc1 222879643 ZLVBINIYIFSKGU-UHFFFAOYSA-N 401.893 6.002 0 40 HKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cc(Cl)ccc2C)o1 222896503 SQFVYQLVDFDXPX-LEWJYISDSA-N 411.958 5.686 0 40 HKAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1cccc2ccccc12 224304868 GDFHVKOUGJWCDB-UHFFFAOYSA-N 411.501 5.700 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1CSc1ccc(C)cc1 224661228 QFQOLBBNFCRDBC-UHFFFAOYSA-N 405.563 6.555 0 40 HKAB CCCCOCc1cc(C(=O)Nc2cccc(Br)c2)ccc1OCC 224726443 UJKWGLHHZBEANX-UHFFFAOYSA-N 406.320 5.417 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2CCS/C2=C/c2nc(-c3ccccc3F)no2)cc1 225242065 JSCMNPHOJNQMCD-XSFVSMFZSA-N 423.513 5.361 0 40 HKAB CCOC(=O)c1cccc(NC(=S)NCCSCc2cccc(Cl)c2)c1C 225300213 XPABZRSXVPYXIB-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 225528226 CSRMRKYVUJVVOL-UHFFFAOYSA-N 406.353 6.623 0 40 HKAB COc1cc(C)c(C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1C(C)C 225670176 VQNXCBFONJSXGL-UHFFFAOYSA-N 413.905 5.103 0 40 HKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCOC)c(Cl)c1 225743582 LUAWUTURQICPNU-UHFFFAOYSA-N 413.986 5.561 0 40 HKAB CSc1ccccc1NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225805576 GIBWCCDZLCJPSC-UHFFFAOYSA-N 407.417 5.049 0 40 HKAB CCOC(=O)c1cc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)ccc1Cl 225866114 AASLZFLZTYNWEC-UHFFFAOYSA-N 416.974 5.581 0 40 HKAB COc1ccc(-n2cccc2CN(C)C(=O)c2ccc3sc(Cl)nc3c2)cc1 225984896 YQMFVFCUUGFKJL-UHFFFAOYSA-N 411.914 5.021 0 40 HKAB CCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(CC(C)C)n1 257242307 IBWINHPGSPWCKN-UHFFFAOYSA-N 412.917 5.552 0 40 HKAB CCCOc1ccc(/C=C/C(=O)Nc2ccccc2Br)cc1OCC 408567350 MAFKFYFQKAFZRL-ZRDIBKRKSA-N 404.304 5.289 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2cccc(Cl)c2C)cc1 408698117 NTFOEMYTLHZEFT-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB COc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(Cl)c3)n2)c1 408698931 TXLGHTVURZHQLB-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(OCC(C)C)cc2)S1 408810555 UDMGZEIAVUTRHD-UHFFFAOYSA-N 401.939 5.446 0 40 HKAB O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 408920635 KZYKRZMNJAJZSX-PTGBLXJZSA-N 420.915 5.369 0 40 HKAB Cc1ccc(OCCSc2nnc(Cc3ccccc3)n2-c2ccc(C)cc2)cc1 409089000 MNYRIQHSRFJIRS-UHFFFAOYSA-N 415.562 5.646 0 40 HKAB COc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 409107684 TVWHUCAOJNYKNL-UHFFFAOYSA-N 407.926 5.889 0 40 HKAB O=C(O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)o2)cc1 409123562 CRWDPVGJCUZOEU-XDHOZWIPSA-N 411.479 5.261 0 40 HKAB COc1ccc(-n2cccc2/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1 409129638 VHEMSZXTXREVPW-OQKWZONESA-N 418.518 5.155 0 40 HKAB O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409144378 OPPVOIOXBNIHGH-YVQVFXEXSA-N 400.566 6.046 0 40 HKAB CCCCOc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 409183315 RLIBUMFHIKJEOX-DEOSSOPVSA-N 422.908 6.300 0 40 HKAB CC(C)c1ccccc1OCc1nc(C(C)C)c(-c2cccc(Cl)c2)cc1C(=O)O 585265576 TUEXYWXNQJNCKI-UHFFFAOYSA-N 423.940 6.926 0 40 HKAB Cc1cc(=O)oc2c(C3=Nc4ccccc4S[C@@H](c4ccccc4)C3)c(O)ccc12 688065 OPNAJNYFSYMAAL-JOCHJYFZSA-N 413.498 6.165 0 40 HKAB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)c1 869929 NJFIOIBPRCAQDN-UHFFFAOYSA-N 403.482 5.475 0 40 HKAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 983978 MFIYDLFFXRANDC-UHFFFAOYSA-N 415.518 5.483 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1 1400080 KVVMOZRGWPPYRT-UHFFFAOYSA-N 407.684 5.109 0 40 HKAB CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@H](C)CCC3 1784627 PTDHEJPQSPVPAJ-MRXNPFEDSA-N 412.624 6.478 0 40 HKAB Cc1ccccc1COc1ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc2c1 2116888 MVTAATQSMVYTRZ-UHFFFAOYSA-N 410.425 5.454 0 40 HKAB biogenic CCOC(=O)c1c(CSc2ccccc2)n(-c2ccccc2)c2ccc(O)cc12 2202323 VABHTZDWHFUQTJ-UHFFFAOYSA-N 403.503 5.805 0 40 HKAB COc1ccc(CCNc2cc(C)nc3c(-c4ccc(Cl)cc4)cnn23)cc1OC 2219200 FOXNLHOBRSPHSJ-UHFFFAOYSA-N 422.916 5.030 0 40 HKAB Cc1cccc(OP(=O)(N[C@@H](C)c2ccccc2)Oc2cccc(C)c2C)c1C 2291185 UTEINKIGRMKGCI-NRFANRHFSA-N 409.466 6.837 0 40 HKAB COc1cccc([C@@H](Nc2ccccn2)c2c(-c3ccccc3)n(O)c3ccccc23)c1 2667937 BUVAWIJPNDAMSR-AREMUKBSSA-N 421.500 6.151 0 40 HKAB Clc1ccc(-c2nc3ccccc3n2OCc2ccc(Cl)c(Cl)c2)cc1 3052873 DMDWGMJXNKKJOT-UHFFFAOYSA-N 403.696 6.292 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)COc4cccc5ccccc45)cc3)sc2c1 3261014 HZGMWFHJRSRXIW-UHFFFAOYSA-N 424.525 6.442 0 40 HKAB CC(C)(C)c1cc(NC(=O)c2sc3ccccc3c2Cl)n(-c2ccccc2)n1 3356546 GNYNOBKDWPEVDA-UHFFFAOYSA-N 409.942 6.290 0 40 HKAB O=C(NCCOc1ccccc1)c1cc(-c2ccccc2)nc2c(Cl)cccc12 3669899 DFDXODPACDXAMH-UHFFFAOYSA-N 402.881 5.364 0 40 HKAB O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1c1ccc(Cl)c(Cl)c1 3765803 HKAUSOFOALCCLX-AWNIVKPZSA-N 419.116 6.541 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(Cl)c(Cl)c4)c3)oc2c1 3770814 SZRXQMCKHZVVDL-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB CCOc1ccc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)cc1 4059647 SLDFFPLJCCUMDK-UHFFFAOYSA-N 416.546 5.819 0 40 HKAB O=[S@](Cc1cc(N2CCCCC2)nc(-c2ccccc2)n1)c1ccc(Cl)cc1 4060058 NUIBHTJLAYBTJS-NDEPHWFRSA-N 411.958 5.095 0 40 HKAB CCc1ccc(NC(=O)CSc2cn(Cc3ccccc3C)c3ccccc23)cc1 4060746 LCMZIMFTKNERQY-UHFFFAOYSA-N 414.574 6.291 0 40 HKAB Cc1cccc(NC(=O)CN2C(=O)C[C@@H](c3ccco3)Sc3ccccc32)c1C 4162799 CZDLGRBQKJYSRQ-NRFANRHFSA-N 406.507 5.105 0 40 HKAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N1CCC(C)CC1)CCCCC2 4568497 DMPHRRPQLFOOKK-UHFFFAOYSA-N 410.583 5.450 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c1 4616137 YQMIWXJEAQSJRS-UHFFFAOYSA-N 400.478 6.153 0 40 HKAB CCc1cccc(C)c1NC(=O)CSc1nnc([C@@H](C)Oc2ccccc2)n1CC 4690489 YHFBREFCIBORCT-QGZVFWFLSA-N 424.570 5.040 0 40 HKAB COc1ccccc1C1(O)[C@@H](C)[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@H]1C 4714097 LTBHDKLBZYZJDK-HULPHCPZSA-N 401.550 5.583 0 40 HKAB COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C(C)(C)C)c3ncnn32)cc1 4816802 ZTFCACHHKVYBFZ-WOJBJXKFSA-N 424.932 5.054 0 40 HKAB Cc1ccc([C@@]2(CCN[C@@H](C)c3ccc(Cl)cc3)CCO[C@@H](C(C)C)C2)cc1 5024828 VJRNJFGPKMJBSQ-AMDXRBSFSA-N 400.006 6.462 0 40 HKAB O=C(Nc1ccc(NC(=O)c2ccco2)c(Cl)c1)c1cc2c3c(cccc3c1)CC2 5771106 CZBJOQMQYISKKQ-UHFFFAOYSA-N 416.864 5.689 0 40 HKAB CC(C)c1cc(I)ccc1NC(=O)Cn1ccc2ccccc21 6346204 QKJJJIZWSUWNRQ-UHFFFAOYSA-N 418.278 5.008 0 40 HKAB COc1ccc(-c2coc3cc(OCc4c(F)cccc4Cl)ccc3c2=O)cc1 6719526 VGHMCYWATZOCGC-UHFFFAOYSA-N 410.828 5.840 0 40 HKAB biogenic Cc1cccc(-n2ncc3c(NCCC(c4ccccc4)c4ccccc4)ncnc32)c1 7451517 AWKBXDWEJAMGIA-UHFFFAOYSA-N 419.532 5.758 0 40 HKAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(C)n2C2CC2)c2ccccc2)cc1Cl 7617378 XRKWORRTCINGSX-IBGZPJMESA-N 412.946 5.355 0 40 HKAB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccs1)N(C1CC1)C(c1ccccc1)=N2 7778806 VMLUQMKYNUHZDC-QHCPKHFHSA-N 410.546 5.888 0 40 HKAB CCOc1ccccc1NC(=O)Cc1c(C)c2c(cc(C)c3c(C)coc32)oc1=O 8479128 DKEDEIYBQYYQPL-UHFFFAOYSA-N 405.450 5.044 0 40 HKAB biogenic Cc1c(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)oc2ccc(F)cc12 8586765 KTKJIFPJRIMUNQ-UHFFFAOYSA-N 402.450 6.409 0 40 HKAB CC(C)CCn1c([C@@H](Cc2ccccc2)NC(=O)c2ccccc2)nc2ccccc21 8667823 VDQOHIXPZHBQBL-XMMPIXPASA-N 411.549 5.796 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)cc1 9135386 UQODOYSBWIFQKQ-UHFFFAOYSA-N 402.450 5.028 0 40 HKAB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccs2)c(C)c1 9215643 DGKVSNWGXHAZRH-UHFFFAOYSA-N 402.519 5.362 0 40 HKAB O=c1c2ccccc2nc(/C=C/c2ccc(Br)s2)n1-c1ccccc1 9386868 YQJMHHYBIPBRED-ACCUITESSA-N 409.308 5.380 0 40 HKAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccc(Cl)cc1Cl 9391584 LKARROZAQXFGFL-UHFFFAOYSA-N 424.740 5.832 0 40 HKAB Cc1cccc(OCc2nnc(SCc3csc(Nc4ccccc4C)n3)o2)c1 9507471 QVAWDRRAMIFRLF-UHFFFAOYSA-N 424.551 5.758 0 40 HKAB CC(=O)c1ccc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)cc1 9631967 CONLYZHTFLDNKC-UHFFFAOYSA-N 423.925 5.563 0 40 HKAB C[C@@H]1CCc2sc(-c3nnc(SCc4nc(-c5ccsc5)no4)o3)cc2C1 9727984 GJZSUNVCYLYOKK-SNVBAGLBSA-N 416.553 5.327 0 40 HKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cc(-c2cccnc2)nc2ccccc12 9984795 OIJPUNPXPHCNRD-UHFFFAOYSA-N 423.472 5.591 0 40 HKAB C[C@H](c1ccccc1)N(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 10431577 YKQWYWDLKSORBH-HXUWFJFHSA-N 410.517 6.161 0 40 HKAB Clc1ccc(Cn2ncc3c(NCc4ccc(Cl)cc4Cl)ncnc32)cc1 12377812 GNVVDGQHISHVTK-UHFFFAOYSA-N 418.715 5.447 0 40 HKAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCC)cc2)n2c(nc3ccccc32)N1 13634842 HIANUFFVDFKVAH-QFIPXVFZSA-N 405.498 5.067 0 40 HKAB CCOc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4Cl)nc32)cc1 15842268 SLUWRIOSZWAOOU-UHFFFAOYSA-N 417.900 5.404 0 40 HKAB CC(=O)N(c1ccc(C)cc1)c1cccc2c(N(C(C)=O)c3ccc(C)cc3)cccc12 16292617 DGYHZGBGRIMYDD-UHFFFAOYSA-N 422.528 6.826 0 40 HKAB CCCCC(=O)NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 17082790 QJCOQOGULZCTOS-UHFFFAOYSA-N 403.960 5.620 0 40 HKAB O=C(NC(=S)Nc1cccc2c(O)cccc12)C(c1ccccc1)c1ccccc1 17089240 QAVHIWPCXYNGGO-UHFFFAOYSA-N 412.514 5.191 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCSCc1ccccc1Cl 20110474 FQTPLERDVGRLOP-NRFANRHFSA-N 413.970 5.700 0 40 HKAB COc1c2c(cc3c1[C@H](CC(=O)CC/C=C(\C)CCC=C(C)C)N(C)CC3)OCO2 20112010 LSLGUUOXZXVOPO-KYRPUADMSA-N 413.558 5.385 0 40 HKAB biogenic Cc1ccccc1OCC(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 20411297 QZZTUBWAHFBWCD-UHFFFAOYSA-N 400.478 5.944 0 40 HKAB CCCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1cccc(OC)c1)C3 20412290 RCBNVFVNFPGEHF-UHFFFAOYSA-N 413.901 5.150 0 40 HKAB CC[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C)cc1 20450798 CSXUWPAATXEXRB-HSZRJFAPSA-N 409.982 6.822 0 40 HKAB Oc1ccc([C@H]2NC[C@H](c3ccc(Cl)cc3Cl)c3c2[nH]c2ccccc32)cc1 24204169 HEAUFHQJFJNIJJ-XMSQKQJNSA-N 409.316 6.005 0 40 HKAB COc1ccc([C@H]2C(CN3CCOCC3)=C(c3cccs3)Oc3ccccc32)cc1 25178239 URUPYTQUYKECIT-XMMPIXPASA-N 419.546 5.025 0 40 HKAB COc1ccc(Cl)cc1NC(=O)Nc1nn(Cc2ccccc2F)cc1Cl 32610587 GZKIZRXYQFJQQA-UHFFFAOYSA-N 409.248 5.030 0 40 HKAB OC1=NC(=S)S/C1=C\c1ccc(OCc2ccccc2F)c(Br)c1 33706072 GISVLBBPRJPERR-NVNXTCNLSA-N 424.316 5.496 0 40 HKAB Fc1ccc(-c2nnc3ccc(SCc4csc(-c5ccccc5)n4)nn23)cc1 36638238 SUKCMJWIPWKEGS-UHFFFAOYSA-N 419.510 5.346 0 40 HKAB O=C(N[C@@H](C[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1)C1CCC1 36734728 RJASJPPNRNWZKT-GMAHTHKFSA-N 411.977 5.137 0 40 HKAB CCOC(=O)c1c(N[C@@H]2OC(=O)c3ccccc32)sc2c1CC[C@@H](C(C)(C)C)C2 44827188 QEQUPJBPQHPCDQ-BFUOFWGJSA-N 413.539 5.357 0 40 HKAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)cc1 48065836 GHLRPOLVQJHAON-NAVGAYGYSA-N 408.498 5.031 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccco4)o3)c3ccccc3n2)c(C)c1 57789034 FWXHHROODXETAM-UHFFFAOYSA-N 410.433 5.414 0 40 HKAB CC(C)(NCC(=O)Nc1c(Cl)cccc1Cl)c1ccc(Cl)c(Cl)c1 58178010 AZVFBNFYPCFINU-UHFFFAOYSA-N 406.140 5.764 0 40 HKAB CC(C)(C)OC(=O)n1cc(Br)c2c(C(=O)c3ccccc3)cccc21 96509805 LWCYHPUGIBQUOX-UHFFFAOYSA-N 400.272 5.418 0 40 HKAB O=C1[C@@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccccc1 101003508 DNSLOEAIBOMUHM-SAZLYLDSSA-N 403.481 5.110 0 40 HKAB CCOc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 141523530 RCFPHUXDIHFIGT-NRFANRHFSA-N 417.571 5.052 0 40 HKAB COC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 169619725 GECDKZDSKUMLSP-NJAFHUGGSA-N 411.567 5.428 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)c1ccccc1 219346607 CROZIODDSVUNFP-RUZDIDTESA-N 409.485 5.867 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)Cc3ccc(Cl)cc3F)c2)cc1 223988408 YPRWZLKYHISEKW-UHFFFAOYSA-N 423.915 6.189 0 40 HKAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1CSc1ccccc1 224656158 JLBPKNYWSSJADS-UHFFFAOYSA-N 403.547 5.576 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N(C)Cc3ccccc3)o2)cc1 224920831 IYRDXHNSZSMYHW-UHFFFAOYSA-N 412.489 5.680 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc(C)c1Cl 225153241 KWDMRASMFCOOMS-CQSZACIVSA-N 418.946 5.320 0 40 HKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225824237 KLSXDGPHIJLTKO-UHFFFAOYSA-N 413.602 6.681 0 40 HKAB Brc1cccc2c(-c3nn4c(Cc5ccccc5)nnc4s3)cccc12 226300142 VIYGFFRZKIMSOV-UHFFFAOYSA-N 421.323 5.359 0 40 HKAB COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccccc1 408613506 UUNWJXOQOGFOBI-UHFFFAOYSA-N 424.305 5.595 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2cccc(Cl)c2)cc1 408700216 ZQNABOHOVBKTIT-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CCCCSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C)c(OC)c2)N1 408989047 JMEFPOFTEVBBQT-QFIPXVFZSA-N 423.582 5.450 0 40 HKAB CCCCCCOc1ccc(/C=C2\N=C(c3ccc(OCCC)cc3)OC2=O)cc1 409005318 UXGZMCDFWPHAIB-NKFKGCMQSA-N 407.510 5.779 0 40 HKAB Cc1cccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1 409112379 BRNFGAVMAPZUNE-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Clc1ccccc1NCc1ccc(OCc2cccc3ccccc23)c(Cl)c1 409177613 GVHWVXUULFNDTC-UHFFFAOYSA-N 408.328 7.338 0 40 HKAB O=C(CSCc1cccc(Cl)c1)Nc1cc(Cl)ccc1Oc1ccccc1 409327347 SMYBVZSHBONYLI-UHFFFAOYSA-N 418.345 6.658 0 40 HKAB CN(C)C(=O)N1CCC[C@@H]1CCc1ccc(Nc2ncc(-c3ccccc3)s2)nc1 585263036 WMDWJRPJJRRCHR-LJQANCHMSA-N 421.570 5.027 0 40 HKAB CCCN(CC1CC1)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12 606167908 HKVYHPVKZNJTMG-UHFFFAOYSA-N 417.431 5.479 0 40 HKAB Clc1cccc(Cl)c1CSc1nnc(-c2ccncc2)n1Cc1ccco1 873130 HLZVIUZAYFVDSA-UHFFFAOYSA-N 417.321 5.581 0 40 HKAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc4ccccc34)n2C)cc1 898492 FVPPYFKFURERMX-INIZCTEOSA-N 402.523 5.063 0 40 HKAB Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CCNC(=O)NC1CCCCC1 1074980 GVYJPMYLPINZAM-UHFFFAOYSA-N 405.542 5.230 0 40 HKAB Brc1c(SCc2ccccc2)ncnc1SCc1ccccc1 1674947 KJHDCRDWBIUJRN-UHFFFAOYSA-N 403.370 5.824 0 40 HKAB CCCOc1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)c(OCCC)c1 2082229 FDTKVNKQGZCQTJ-CJLVFECKSA-N 421.537 5.906 0 40 HKAB Cc1cccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1 2231972 LHHMBYVZFCKRMQ-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB Clc1ccc(-n2cc(-c3ccccc3)c3c(N4CCCCCC4)ncnc32)cc1 2714442 RPCUDYKUKKOQBZ-UHFFFAOYSA-N 402.929 6.121 0 40 HKAB C[C@@H](NC(=O)c1ccc(COc2ccccc2Br)cc1)c1ccccc1 2754523 DYNJCDQEVKFTBG-MRXNPFEDSA-N 410.311 5.519 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccc(C)cc4C)ncnc32)cc1 2974698 GRAVIJHZQCSQOB-UHFFFAOYSA-N 420.516 6.457 0 40 HKAB Cc1cc(C(=O)COC(=O)c2ccc(OC(C)C)cc2)c(C)n1Cc1cccs1 3293970 YRQNNRPVVNIVJL-UHFFFAOYSA-N 411.523 5.042 0 40 HKAB COc1cccc(/C=C(/C(=O)OCC(=O)c2cc(C)c(C)cc2C)c2ccccc2)c1 3360672 AXRCLQGQXNDUCS-PCLIKHOPSA-N 414.501 5.587 0 40 HKAB Cc1ccc(-n2c(SCC(=O)Nc3cccnc3Cl)nc3ccccc32)cc1 3402773 GZGQJDIKEMSUII-UHFFFAOYSA-N 408.914 5.113 0 40 HKAB COc1cccc(NC(=O)[C@H](Sc2nnc(-c3ccccc3)o2)c2ccccc2)c1 3563063 GQGSFWMNJHOSDH-HXUWFJFHSA-N 417.490 5.217 0 40 HKAB CC1(C)N=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)C(c2ccccc2)=N1 4890891 ZERAVTDMYITZRB-UHFFFAOYSA-N 406.338 5.303 0 40 HKAB CCOc1cccc2sc(N(Cc3cccnc3)C(=O)/C=C/c3ccccc3)nc12 5142154 LJHODEAVQPYTDZ-BUHFOSPRSA-N 415.518 5.337 0 40 HKAB CCc1ccc(CCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)o1 5180379 JJGKBVCVHYZSPS-UHFFFAOYSA-N 409.338 5.767 0 40 HKAB Cc1ccc(COc2ccc(-c3onc(C)c3-c3ccc(Cl)cc3)c(O)c2)cc1 5428462 QJLDTCJXCCHZOT-UHFFFAOYSA-N 405.881 6.563 0 40 HKAB biogenic Cc1cccc(C)c1N1CC(=O)N(c2ccc(Cl)cc2)[C@@H](c2ccsc2)C1=O 5451851 VDXLUHHTOAYGHY-NRFANRHFSA-N 410.926 5.139 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccs2)N2CCCCC2)c1C 5721684 IELIHWFLESPBKD-OAQYLSRUSA-N 410.608 6.254 0 40 HKAB CC(C)(C)c1ccc(OCCNC[C@@H](O)Cn2c3ccccc3c3ccccc32)cc1 5840752 ODRWLJOIGLRFIR-OAQYLSRUSA-N 416.565 5.122 0 40 HKAB CCCOc1ccc(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1 7603246 JQQVCSBNRCTAJV-SFQUDFHCSA-N 416.886 5.397 0 40 HKAB O=C(Cc1csc(-c2ccccc2)n1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 7780140 OFTCXRMZEXQKOO-UHFFFAOYSA-N 420.534 5.053 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc(Cl)cc2)sc2c1CCCC2 8558758 BTTBTGPMWOZOEM-INIZCTEOSA-N 421.946 5.253 0 40 HKAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)c1nnc(-c2cccs2)o1 9218815 IDEDPGVRGPJMBI-VIFPVBQESA-N 408.430 5.613 0 40 HKAB CCSc1ccc(CC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 9596794 JLAAKWQWURTTTD-UHFFFAOYSA-N 408.592 5.982 0 40 HKAB CCSc1ccc(CC(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)cc1 10749226 ANYAKOAOCQQPTO-UHFFFAOYSA-N 424.547 5.858 0 40 HKAB CCOc1cccc2cc(-c3csc(NC(=O)c4nc5ccccc5s4)n3)oc12 10749633 NFPWICQPBRZNSQ-UHFFFAOYSA-N 421.503 5.817 0 40 HKAB Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccnc1 12319096 KIDFCRUJNGYXIA-LVWGJNHUSA-N 405.910 5.210 0 40 HKAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N[C@@H](c2ccccc2)C(C)C)cs1 12876955 OHJWGZSZLXSIEA-WOOPDLCSSA-N 419.550 5.354 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc(C)c1Cl 14399803 VJLCRWDXNRWVBN-SNVBAGLBSA-N 407.124 6.323 0 40 HKAB Clc1ccccc1COc1ccc(Br)cc1CNC1CCCCC1 16449938 LLDZZFGRXNANQH-UHFFFAOYSA-N 408.767 6.104 0 40 HKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccccc1C(=O)NC1CCCC1 17365981 PFVHPZNSIARQNE-UHFFFAOYSA-N 405.523 5.043 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 20108838 OMQDERDTOPHHAZ-UHFFFAOYSA-N 415.533 6.255 0 40 HKAB CC(C)OC(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 20528888 FKDUUUPLMUCKHU-UHFFFAOYSA-N 408.306 6.026 0 40 HKAB COc1ccc2cc(CN(C)C(=O)c3ccccc3SC[C@H]3CCCO3)ccc2c1 21708961 KYWCELALFYPECI-JOCHJYFZSA-N 421.562 5.392 0 40 HKAB Cc1nc(-c2ccc([C@H](C)Nc3cnn(-c4ccccc4)c(=O)c3Cl)cc2)cs1 24828485 CAIBTHRYGGQKCD-AWEZNQCLSA-N 422.941 5.491 0 40 HKAB CC(C)[C@@H](NCc1nc(-c2cccc(Br)c2)no1)c1ccc(Cl)cc1 24982058 SFOHYBQTXYVIPU-GOSISDBHSA-N 420.738 5.639 0 40 HKAB Cc1cccc(C2=N/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)c1 33680638 ZSZSCMASRFBRDD-HMAPJEAMSA-N 403.865 5.572 0 40 HKAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc(-c3ccccc3)o1)CC(O)=N2 36357804 YVYJYHJDKHEQHZ-AWEZNQCLSA-N 405.845 5.008 0 40 HKAB CCc1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)c(Br)c1 40942904 BZCOFYWPZFMMPJ-UHFFFAOYSA-N 424.338 5.296 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1C 46078959 XYTPMYPDELYXBT-UHFFFAOYSA-N 402.469 5.288 0 40 HKAB Cc1c(C(=O)Nc2ccc(N(C)C)c(Cl)c2)cnn1-c1cccc(C(F)(F)F)c1 59361067 ASEQRFCTZZBOFL-UHFFFAOYSA-N 422.838 5.171 0 40 HKAB O=C(CCc1ccccc1)Nc1ccc2nc(SCc3ccccn3)sc2c1 59417559 HQWRFIOKZTVEOR-UHFFFAOYSA-N 405.548 5.555 0 40 HKAB C[C@@H]1CCCCN1c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)cc1N 72229424 PJIZVKCXVWUFQH-LLVKDONJSA-N 412.748 5.860 0 40 HKAB CC1=C[C@@H](CNC(=O)C2CCCCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 72320843 JLYVYGVEWUYESF-VABKMULXSA-N 421.629 5.965 0 40 HKAB biogenic,in-vitro O=C(c1cnc(-c2ccsc2)s1)N1CCCCC[C@@H]1C[C@H](O)c1cccs1 79066550 ZXPDDHFMGLRFLX-CVEARBPZSA-N 418.609 5.442 0 40 HKAB O=C(CSC1CCCC1)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 96124418 FAVVSAMNZOJCJY-UHFFFAOYSA-N 410.568 5.563 0 40 HKAB Cc1cc2c(cc1C)N[C@@H](c1ccc(Cl)cc1Cl)C1=C(O)CC(C)(C)CC1=N2 102529874 GWSJLOUYSODDKQ-QFIPXVFZSA-N 415.364 7.482 0 40 HKAB CO[C@@H]1C=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CC[C@H](C)C(C)C)[C@@]2(C)CC1 123267118 FRZGUFBZIFOIRD-LWINXXIXSA-N 414.718 8.289 0 40 HKAB O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1ccccc1Br 214973117 JMUQKQYWUHACIL-OVCLIPMQSA-N 424.703 5.045 0 40 HKAB CC[C@H](NC(=O)C1CCN(Cc2ccccc2C)CC1)c1ccc2c(c1)CCCC2 223103134 CIGVOHVKBWLVFU-SANMLTNESA-N 404.598 5.353 0 40 HKAB CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 223339054 AQPYXIJPCSKDJK-DEOSSOPVSA-N 420.940 5.136 0 40 HKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C)c2)cc1Cl 224100603 GSYKEILMGDTJGF-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccccc1C(C)C 224568573 VVCPJWHIUBHXQA-UHFFFAOYSA-N 417.549 6.060 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1COC(C)C 224717182 LEMLWICRKZTOCZ-UHFFFAOYSA-N 415.839 5.935 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCN3CCC[C@@H](C)C3)cc2)CCCCCC1 225659427 LQFSJUQKGAKSJR-OAQYLSRUSA-N 416.606 5.255 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N1[C@@H](C)CCC[C@H]1C 226330885 GDRRNWKLLKBXLF-OKILXGFUSA-N 406.357 5.904 0 40 HKAB COc1ccc(CN2CC[C@@H](C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1 245227207 GACVFXYUDRVNOK-JWQCQUIFSA-N 419.496 5.289 0 40 HKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccc(Cl)cc1)C[C@@]2(C)NC(=O)Cc1ccccc1 257223677 DYLGJSRMMWWYGV-COPJJLTNSA-N 411.973 5.724 0 40 HKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C[C@@H]3C=CCC3)CC2)on1 257314678 UYACXNGZFGXJIU-VAMGGRTRSA-N 422.573 5.310 0 40 HKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(Cl)ccc3OC)ccc21 408598396 ZUFQGJFRIARLCH-UHFFFAOYSA-N 414.914 5.277 0 40 HKAB Cc1cccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3cccc(C)c3)n2)c1 408725887 QQDXTKKIUIYDOE-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccc(F)cc1 409180548 ZINMTLXHLIFXJB-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB Cc1cccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(C)c(C)c3)n2C)c1 409205703 SJMXLELQDRVIRF-RQZHXJHFSA-N 412.558 6.087 0 40 HKAB COc1cc(-c2nc3ccccc3s2)ccc1OCc1c(Cl)cccc1Cl 409260948 YXCRWYJDOJNMFZ-UHFFFAOYSA-N 416.329 6.858 0 40 HKAB COC1(COc2ccc(Cl)c(Cl)c2)CCN(Cc2ccc3[nH]ccc3c2)CC1 585270742 PURJQGPTTFWIIX-UHFFFAOYSA-N 419.352 5.535 0 40 HKAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 2037845721 HDIPWWKTURSNGB-GOSISDBHSA-N 419.912 5.420 0 40 HKAB FC(F)(F)c1cc(OCOc2ccc(Cl)c(C(F)(F)F)c2)ccc1Cl 2362803722 BLXJFCLQQMJIPI-UHFFFAOYSA-N 405.121 6.446 0 40 HKAB Cc1ccc(C(=O)N2CCc3cc(-c4nc(NC(C)(C)C)sc4C)ccc32)cc1 1354292 PHAJZNGUZRNINV-UHFFFAOYSA-N 405.567 5.840 0 40 HKAB CCOC(=O)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)cc2)cc1 1436552 UELFZDIMCXNMKO-OAQYLSRUSA-N 406.869 5.288 0 40 HKAB COc1ccc(-c2coc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1OC 1448066 KURCSIGAAJCCLY-UHFFFAOYSA-N 406.409 5.195 0 40 HKAB COc1ccc(CNCC[C@@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1 2099479 YJHFNULWAQEHJY-MHZLTWQESA-N 403.566 6.103 0 40 HKAB biogenic COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccc(Cl)cc2)cc1 2209380 GUAOQESKXQHOFP-UHFFFAOYSA-N 420.896 5.195 0 40 HKAB CSc1nc2sc3c(c2c2nnc(SCCc4ccccc4)n12)CCCC3 2220169 JLKXTZINFHEBMT-UHFFFAOYSA-N 412.609 5.275 0 40 HKAB CSc1nc(SCC(=O)c2ccc(Cl)cc2)c2c3c(sc2n1)CCCC3 2222986 PNVGMKLDHDORAM-UHFFFAOYSA-N 421.012 5.920 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)cc1 2229394 FUJQRIFWQUVUPX-UHFFFAOYSA-N 424.859 6.328 0 40 HKAB CC[C@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(Cl)cc1)CC2=O)c1ccccc1 2244913 PTJHYSRNQDMGAW-MJGOQNOKSA-N 419.912 5.175 0 40 HKAB CCOC(=O)c1c(C)cc(Nc2ccccc2)c(C(=O)OCC)c1-c1ccccc1 2318672 NYSRITPHBOEVSS-UHFFFAOYSA-N 403.478 5.759 0 40 HKAB CCCCCCOC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 2368625 IZESQLJCZHSVOK-UHFFFAOYSA-N 402.498 5.201 0 40 HKAB Cc1noc(C)c1CSc1nnc(-c2ccccc2F)n1CCc1ccccc1 2645089 LHYXZHDRACAFRA-UHFFFAOYSA-N 408.502 5.224 0 40 HKAB Cc1ccc(C)c(OCCSc2nnc(-c3ccncc3)n2Cc2ccccc2)c1 2656481 INCHVIDPZHAQDV-UHFFFAOYSA-N 416.550 5.176 0 40 HKAB CC(C)CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1 2721641 LXMZFAKKXXDGRM-UHFFFAOYSA-N 407.944 5.576 0 40 HKAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(SC(C)C)o2)cc1 2721707 WQLYFTMIEPMCPF-UHFFFAOYSA-N 407.944 5.637 0 40 HKAB COc1ccc(CN[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)cc1OC 3323178 PBIINHGUPRNGNJ-HSZRJFAPSA-N 424.928 5.135 0 40 HKAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cccc2ccccc12 3362059 AFDYEORWZQZLOY-SANMLTNESA-N 405.453 6.102 0 40 HKAB O=C(CSc1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1ccccc1 3581835 NXUNIRJMPNFFRX-UHFFFAOYSA-N 406.938 6.074 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 3670857 HOZIIWBZSSIYJM-UHFFFAOYSA-N 420.896 6.579 0 40 HKAB CCCCC1CCC(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)CC1 4088710 PKSYGORHWJKPCU-UHFFFAOYSA-N 418.006 6.208 0 40 HKAB CCCCOc1ccc([C@H](CC(=O)c2ccc(C)cc2)Nc2ccc(CC)cc2)cc1 4180658 JWXDAHDRCISVQQ-MHZLTWQESA-N 415.577 7.163 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccc(C)c(C)c1 4554547 UTEYWSQUHSPZLU-UHFFFAOYSA-N 418.518 5.606 0 40 HKAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3cccc4ccccc34)c3ccccc32)cc1 4555153 UFMYVYKLSGLTCM-MUUNZHRXSA-N 421.496 5.156 0 40 HKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC(=O)c4ccco4)cc2)N3)C1 4571356 UCGWJMPFGDJVPT-BUXKBTBVSA-N 408.479 5.114 0 40 HKAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(OCc2ccccc2Cl)cc1 4616566 DIJRHZGBDQEQLW-CIAFOILYSA-N 407.828 5.403 0 40 HKAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\N=C(c2ccc3ccccc3c2)OC1=O 4836814 RYYQEVDNJHRIEP-STZFKDTASA-N 413.864 5.332 0 40 HKAB O=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl 4923090 BTMJAIPXIGPJNW-UHFFFAOYSA-N 409.892 5.058 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 5666092 RDUKINRDNXZFDU-SFHVURJKSA-N 423.597 6.591 0 40 HKAB O=S(=O)(Oc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1)c1ccc(Cl)cc1 6198909 YSEPAJVFSAOTER-UHFFFAOYSA-N 419.289 5.304 0 40 HKAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1C(F)(F)F 6565738 UXMXRQGUTOUESY-FQEVSTJZSA-N 409.411 5.296 0 40 HKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C1=O 6656770 RGIYILIZUOBVJN-KGENOOAVSA-N 411.523 5.419 0 40 HKAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)C12CC3CC(CC(C3)C1)C2 6864190 FHPARBVGMMEJNQ-UHFFFAOYSA-N 407.366 6.272 0 40 HKAB Cc1ccc(C)c(CSc2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)c1 6867506 UCOCGUSWVMHHEY-UHFFFAOYSA-N 406.595 5.809 0 40 HKAB CC(=O)c1c(-c2ccc(Cl)cc2)[n+](-c2ccccc2)c2sc3ccccc3n12 8048442 DLZFHJQIAHUWFX-UHFFFAOYSA-N 403.914 5.954 0 40 HKAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cccc(Cl)c3Cl)n2)cc1 8132916 SCYLUZFGJKJOQA-LLVKDONJSA-N 407.326 5.206 0 40 HKAB Cc1csc(SCc2c(C(=O)N3CCc4ccccc43)oc3ccccc23)n1 8273453 SMWSKLBJSQNEJK-UHFFFAOYSA-N 406.532 5.693 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccc(Cl)cc3)oc3c(C)cccc3c2=O)cc1 9041709 JQKJWSKWGPCSFT-UHFFFAOYSA-N 419.864 5.683 0 40 HKAB Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2F)n1 9281086 ZEPHLDJZHVULSG-FQEVSTJZSA-N 420.827 5.039 0 40 HKAB CSCC[C@@H](NC(=O)c1cc(C2CC2)nc2ccccc12)c1nc2ccccc2[nH]1 9378474 DVOOQXUDYWTXCW-OAQYLSRUSA-N 416.550 5.213 0 40 HKAB CCOC(=O)c1ccc(/N=c2\ssc3c2-c2cc(C)c(C)cc2NC3(C)C)cc1 9553759 DTRAPQHLFIKJGS-FLFQWRMESA-N 424.591 6.163 0 40 HKAB CCOc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 9583714 BYYAZGOMHFLUSN-IBGZPJMESA-N 408.523 5.022 0 40 HKAB CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)c1cccs1 9594087 GCVQEKZYONBOHT-UHFFFAOYSA-N 421.953 5.586 0 40 HKAB Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(C(C)C)on1 9597916 OSLQIYDEUUAMQR-UHFFFAOYSA-N 407.301 5.219 0 40 HKAB Cn1c(-c2ccc(Br)cc2)cn2cc(-c3ccc(Cl)c(Cl)c3)nc12 9805459 VBVPKFCZZYCJSD-UHFFFAOYSA-N 421.125 6.076 0 40 HKAB O=C(OCc1ccc(Br)cc1F)c1ncc(Cl)c(Cl)c1Cl 9958368 XMYJBDXEUNHACQ-UHFFFAOYSA-N 413.457 5.300 0 40 HKAB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(C(C)(C)C)cc4)cc3)oc2cc1C 10120301 QHYCPJVHRXKPFO-UHFFFAOYSA-N 412.533 6.339 0 40 HKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCCc3ccccc3)CC2=O)c1 12062034 ZBLBAJBEJVWTBK-JOCHJYFZSA-N 409.533 5.498 0 40 HKAB Cc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3-c3ccccc3)n2)cc1 12441143 SKLGEZIZHVCTQY-UHFFFAOYSA-N 423.516 5.305 0 40 HKAB O=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)c1ccc(Cl)cc1 12878799 STOWMFJJSLOWGB-UHFFFAOYSA-N 420.346 5.740 0 40 HKAB COc1ccc(C(C)(C)C)cc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 12883868 ZCFDLYOHUFSNDS-UHFFFAOYSA-N 412.917 5.872 0 40 HKAB CCn1c(-c2ccccc2C)nn(CN(C)Cc2nc3ccccc3s2)c1=S 12993601 MNFCEUHQAYAMTR-UHFFFAOYSA-N 409.584 5.109 0 40 HKAB C[C@@H]1CCCC[C@H]1N[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 13097386 KRKDELWOURNERO-JSNMRZPZSA-N 424.894 6.207 0 40 HKAB O=C(COc1ccc(Nc2ccccc2)cc1)Nc1ccc(OC(F)F)c(Cl)c1 13131195 FPINWQMJULYBCO-UHFFFAOYSA-N 418.827 5.703 0 40 HKAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)N1C(=N2)C=Cc2ccccc21 13148089 DZHATFOWBDDVNM-VWLOTQADSA-N 422.919 6.501 0 40 HKAB COc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1cccc(C)c1 16349249 CIVSPWMAXOQEMA-DZKAJJGSSA-N 419.609 6.277 0 40 HKAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc(-c2ccccn2)nc2ccccc12 16740440 XJKDDGGNYPDVLF-UHFFFAOYSA-N 416.484 6.293 0 40 HKAB CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(F)c4)nccn3n2)cc1 16841648 NIMSMOINDZMEPT-UHFFFAOYSA-N 420.513 5.137 0 40 HKAB COCCn1c(C)c(CN[C@@H](Cc2ccsc2)c2ccc(C)cn2)c2ccccc21 19215435 ONCRPAVDUCJCJE-DEOSSOPVSA-N 419.594 5.435 0 40 HKAB Cc1nc(-c2ccc(C(=O)N3CCc4onc(-c5cccc(F)c5)c4C3)cc2)cs1 19285605 NXPWFCVUBIFFJQ-UHFFFAOYSA-N 419.481 5.111 0 40 HKAB CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(CCc1ccccc1)Cc1cccs1 20098715 ANLWGUIYOJJBRT-OAQYLSRUSA-N 411.619 5.322 0 40 HKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCCSc4ccccc43)c12 22318271 WYKYAIYYHMTZKR-UHFFFAOYSA-N 401.491 5.341 0 40 HKAB CN(C)c1ccc(NC(=O)/C=C/c2ccccc2OC(F)F)c(C(F)(F)F)c1 36759510 GMWHMICZBSUNBG-JXMROGBWSA-N 400.347 5.025 0 40 HKAB COc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1OCc1cccnc1 40088192 WLLRZOXRECYQEG-UHFFFAOYSA-N 403.265 5.228 0 40 HKAB Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1ccc(-c2ccccc2)cc1 44759707 KPIWARGQNAGXEN-UHFFFAOYSA-N 412.411 5.206 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)N1CCCCCC1 44844238 DOWITFJZTVRXNW-UHFFFAOYSA-N 402.494 5.117 0 40 HKAB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)c(C)c1 59418682 OZDWSPXPSIHEDB-QQNJPBSNSA-N 413.904 5.051 0 40 HKAB O=c1c2ccccc2nc(SCc2ccc(F)cc2F)n1Cc1cccs1 67259537 VIDUYOKXQLERIA-UHFFFAOYSA-N 400.475 5.077 0 40 HKAB Cc1cc(C)cc(Cc2cnc(NC(=O)/C=C/c3cc4cc(Cl)ccc4o3)s2)c1 67339293 UUICXCXFYKTQDM-GQCTYLIASA-N 422.937 6.402 0 40 HKAB Cc1ccc([C@H]2C(CN3CCCCC3)=C(c3cccs3)Oc3ccccc32)cc1 71405266 ZRHOORHRLISHGV-RUZDIDTESA-N 401.575 6.478 0 40 HKAB Cc1ccc([C@H](c2ccccc2C)N2CCN(C(=O)Nc3ccccc3C)CC2)cc1 72265288 NDLMKWXDVOPKLC-AREMUKBSSA-N 413.565 5.551 0 40 HKAB O=C1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(Cl)nccn23)C1 95080219 LEJRWMNNXWPDNP-UHFFFAOYSA-N 424.891 5.711 0 40 HKAB C[C@@H](NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)[C@@H]1C[C@H]2CC[C@H]1C2 102133918 KGHGLAFUBMLMDN-FUKQBSRTSA-N 405.478 6.706 0 40 HKAB Cc1ccc([C@H]2CC3=Nc4nc(C)nn4[C@@H](c4cc(F)cc(F)c4)C3=C(O)C2)cc1 102668141 KFPOPNLSZLBUJV-NYHFZMIOSA-N 406.436 5.238 0 40 HKAB CCOc1c(Cl)cc(C(=O)Nc2cccc(OC)c2)cc1OCc1ccccc1 107615013 QDEPXNVRHIUTAQ-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB O=C(CCc1cccc2ccccc12)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 222670860 MXGYFKRVZIUOKJ-UHFFFAOYSA-N 409.573 6.879 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)cc1Cl 223030152 VBMZTVAHCJWMGM-GOSISDBHSA-N 410.297 5.275 0 40 HKAB O=C(CCCOc1ccc(Cl)cc1)Nc1nnc(SCc2ccccc2)s1 223354229 RZVKCXGSKAIGAS-UHFFFAOYSA-N 419.959 5.282 0 40 HKAB S=C(NCC1(c2ccccc2)CCCCC1)Nc1ccc(N2CCCCC2)nc1 223992952 BQPTUCJMVSGWBS-UHFFFAOYSA-N 408.615 5.260 0 40 HKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 224406400 BBTQEHQSYMMILO-GOTSBHOMSA-N 420.557 5.705 0 40 HKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)c1 224527051 ANQMBCSMJXSHQO-DHIUTWEWSA-N 418.566 5.184 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1CN1CCCCC1 224837455 BOECGUMJRMVDKG-SANMLTNESA-N 416.565 5.300 0 40 HKAB O=C(O)[C@H](Cc1ccccc1Sc1ccccc1)Sc1ccc(Cl)cc1 225132257 YPZXWMYBWMLBJU-FQEVSTJZSA-N 400.952 6.279 0 40 HKAB COc1ccccc1NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 225338772 WFQUTHILNZMTJQ-UHFFFAOYSA-N 401.491 5.062 0 40 HKAB C[C@@H]1CCCN(CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)C1 225736426 FOTDEVJYPQICMW-LJQANCHMSA-N 413.656 5.387 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(CSc2ccccc2)cc1 408577314 YJDCKHDIWULZEQ-UHFFFAOYSA-N 421.871 6.903 0 40 HKAB CC(C)COc1ccccc1/C=C1\SC(=O)N(Cc2c(F)cccc2Cl)C1=O 408599924 OTBSULFSUGZIMT-GRSHGNNSSA-N 419.905 5.750 0 40 HKAB Cc1ccc(C)c(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3C)n2)c1 408698439 NXBPDOUYGDLHNJ-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2cccc(Cl)c2C)c1 408698608 OOFRTZJXOVFICS-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccc(OC)cc1 408830484 OJTNXWCTVDFCBP-UHFFFAOYSA-N 410.583 5.926 0 40 HKAB Cc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c(C)n1C1CCCC1 409127657 FFDZWKJXYFMKKU-QNGOZBTKSA-N 410.539 5.335 0 40 HKAB CCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 409246618 JPICLLBTNBTESF-FYJGNVAPSA-N 424.953 6.098 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 409255320 JNDVNASHURXVHW-UHFFFAOYSA-N 404.510 5.196 0 40 HKAB Ic1ccc(CSc2nc3cc4ccccc4cc3[nH]2)cc1 409391400 JDGBKUMMIQFFCV-UHFFFAOYSA-N 416.287 5.613 0 40 HKAB O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCS[C@H]1c1ccccc1Cl 585464072 OXUGAJAHSJBQRO-HNNXBMFYSA-N 402.825 5.518 0 40 HKAB Cc1cc(SCC(=O)c2ccccc2)nc(SCc2ccc(Cl)cc2)n1 786374 DPMXJASBVSDQKF-UHFFFAOYSA-N 400.956 5.706 0 40 HKAB O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(NC(=O)c2ccccc2)cc1 856771 RXMBSLHVARHQLE-OVCLIPMQSA-N 421.294 5.353 0 40 HKAB COc1ccc(-c2csc(N(Cc3ccccc3)C(=O)c3ccccc3F)n2)cc1 929103 QEMOWUNRJHLKLV-UHFFFAOYSA-N 418.493 5.805 0 40 HKAB CCOc1ccccc1C(=O)Nc1ccc(C)c(NC(=O)c2ccccc2OCC)c1 1017122 SMOWDVXBWLBIRT-UHFFFAOYSA-N 418.493 5.297 0 40 HKAB COc1ccc(NC(=S)Oc2cccc(C(=O)Nc3ccccc3Cl)c2)cc1 1437753 PXATUIXYUBDWTI-UHFFFAOYSA-N 412.898 5.377 0 40 HKAB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc23)c1 2074004 XCLGCNXJOXHZSF-UHFFFAOYSA-N 419.937 5.989 0 40 HKAB Cc1cccc(-n2c(N)c(C(=O)Nc3cc(C)ccc3C)c3nc4ccccc4nc32)c1 2194893 LBMLKURVLBTOEE-UHFFFAOYSA-N 421.504 5.333 0 40 HKAB Clc1ccc(-c2nnc(SCc3cccc(Cl)c3)n2C[C@H]2CCCO2)cc1 2642811 WJOBNKNKVFIDDZ-GOSISDBHSA-N 420.365 5.723 0 40 HKAB COc1ccc(-c2cc(C3CC3)nc3sc(C(=O)c4cccs4)c(N)c23)cc1 3167718 NMGSDMRSXMHLSX-UHFFFAOYSA-N 406.532 5.724 0 40 HKAB CCC(=O)N(CC[C@@]1(CCC(C)C)CCOC(C)(C)C1)Cc1ccc(OC)cc1 4073447 KAQNEFINEASZJG-VWLOTQADSA-N 403.607 5.836 0 40 HKAB biogenic S=C(NC1CCCCC1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl 4088142 QSANZAYSAYVKNM-IBGZPJMESA-N 408.398 5.407 0 40 HKAB COc1cccc2c1O[C@H](c1ccc(C(C)(C)C)cc1)N1N=C(c3ccccc3)C[C@@H]21 4281952 OTIJCAIXZVSNST-JYFHCDHNSA-N 412.533 6.235 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)sc2c1CCCC2 4577039 IBYXZVMHGWMEQP-ZDUSSCGKSA-N 421.946 5.171 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)Cc2ccccc2)c1 4659931 RVOJGQFSZSAQDG-UHFFFAOYSA-N 408.885 5.172 0 40 HKAB CC(=O)O[C@@H](C(=O)N1c2ccc(C)cc2[C@H](c2ccccc2)C[C@H]1C)c1ccccc1 4873070 ROAYLNQSSLPWTL-FRPAHBMMSA-N 413.517 5.557 0 40 HKAB Oc1c(Br)cc(/C=N/Nc2ccccc2Cl)cc1Br 4922349 CIAQSZBLGUQYOE-REZTVBANSA-N 404.489 5.017 0 40 HKAB C[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)c1ccc(C(C)(C)C)cc1 5018612 GUVQUKQXCGDXOO-ZDUSSCGKSA-N 410.495 5.126 0 40 HKAB COc1ccccc1[C@]1(CCN[C@@H](C)c2ccc(Cl)cc2)CCO[C@@H](C(C)C)C1 5024399 DZYXLXFXKIWHKF-QTLGCAHFSA-N 416.005 6.162 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)cc1 5136215 SVHYMLKLUUGJOP-UHFFFAOYSA-N 402.494 5.422 0 40 HKAB COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccccc2F)cc1 5245725 YRZMMAMNAKQFRJ-UHFFFAOYSA-N 405.450 5.329 0 40 HKAB Oc1cc(OCc2ccccc2)ccc1-c1onc(C(F)(F)F)c1-c1ccccc1 5484695 QZCFWXJELABJAV-UHFFFAOYSA-N 411.379 6.312 0 40 HKAB biogenic COc1ccc(OC)c(-n2c(SCCC(C)C)nnc2-c2c[nH]c3ccccc23)c1 6159601 YAAOAZRXCCZKGC-UHFFFAOYSA-N 422.554 5.571 0 40 HKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4)cc3)CC2=O)cc1 6261118 YYLZARXZYZTVON-IBGZPJMESA-N 400.478 5.087 0 40 HKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 6323389 KFCSBEWWGVGAKX-LFIBNONCSA-N 405.925 7.082 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 6902185 REQPZJONAIBUJF-UHFFFAOYSA-N 407.973 5.356 0 40 HKAB COc1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1 7604408 ATZWLUCFVZNAHN-UHFFFAOYSA-N 404.853 5.090 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 8168684 YOZNTVVEMSEJFY-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)nnc1C1CC1 8272057 CUFWDQWPPRVLDH-UHFFFAOYSA-N 408.527 5.007 0 40 HKAB O=C(c1cc(Cl)sc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 8746834 NFPBRTKKADWDDS-UHFFFAOYSA-N 409.260 5.036 0 40 HKAB Nc1c(C(=O)Nc2ccc(Cl)cc2Cl)sc2nc(-c3ccncc3)ccc12 8783543 VGUYNHBAZJJHNX-UHFFFAOYSA-N 415.305 5.500 0 40 HKAB O=C(Cc1ccc(Cl)cc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 8803118 YCYGVBRBBWWNLH-UHFFFAOYSA-N 411.889 5.260 0 40 HKAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(Cl)cc3)c3ccccc3)cc2c1 9209447 ARXQHDLAZWUUCT-UHFFFAOYSA-N 418.880 5.037 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 9630197 DAZUKIGYLAUEHE-UHFFFAOYSA-N 416.329 5.955 0 40 HKAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1nc2c(F)cc(F)cc2s1 11807746 SZAGHZMSVWXFBK-UHFFFAOYSA-N 421.375 5.079 0 40 HKAB Clc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccc4ccccc34)=NN12 12192443 XHSREDLMCWSPAJ-RSXGOPAZSA-N 410.904 6.736 0 40 HKAB Cc1cccc(C)c1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O 12627855 ICIUJKUCVMZMDX-FQEVSTJZSA-N 413.496 5.361 0 40 HKAB COc1cc2c(cc1Nc1ncnc3sc(-c4ccccc4)cc13)oc1ccccc12 12633331 KQFRZJWPKGVVJP-UHFFFAOYSA-N 423.497 7.010 0 40 HKAB C[C@H](NC(=O)COc1ccc(C2SCCS2)cc1)C12CC3CC(CC(C3)C1)C2 12821357 DJJNUAOWLBHKBB-SCUMNGBJSA-N 417.640 5.265 0 40 HKAB Cc1ccc2c(c1)[C@@H](Sc1cccc3cccnc13)C[C@@H](C)N2C(=O)c1ccccc1 13940609 VNPKWWHWPUNQTI-CLOONOSVSA-N 424.569 6.816 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(NC(=O)[C@H](C)Oc3ccccc3Cl)cc2)c1 14553192 ULXSRKMPTCESRX-INIZCTEOSA-N 408.885 5.307 0 40 HKAB Fc1ccccc1CCNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 16449542 ABDOAKVUXNNWPS-UHFFFAOYSA-N 404.312 6.044 0 40 HKAB CCC(=O)N1CCCc2cc(NC(=O)c3c(-c4ccccc4Cl)noc3C)ccc21 17248059 NRCQTFASDZLUMY-UHFFFAOYSA-N 423.900 5.245 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(OC)c(-c3ccc(OC)cc3)c2)ccc1OC 17604947 MOYNGZLINIWCIR-UHFFFAOYSA-N 407.466 5.030 0 40 HKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 20488225 SSVXWRFQSPQVSB-HXUWFJFHSA-N 414.933 5.152 0 40 HKAB CCCCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1 26688680 ZVJWDPHUNKFZJS-IZHYLOQSSA-N 417.534 6.094 0 40 HKAB COc1ccc(CN(C)C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)cc1OC 29505703 QFLSADBWSSRCAI-UHFFFAOYSA-N 410.539 5.223 0 40 HKAB O=C(COc1ccc(Cl)cc1Br)Nc1ccccc1C(F)(F)F 36796263 WFTJAWOSAJOKRW-UHFFFAOYSA-N 408.601 5.139 0 40 HKAB Cn1c(-c2cccc(NC(=O)Cc3csc(-c4ccccc4)n3)c2)nc2ccccc21 40155055 GGUFDAYQOCTGFP-UHFFFAOYSA-N 424.529 5.545 0 40 HKAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1cc(Cl)ccc1N1CCCCC1 58315990 SRUNOVHSXLTHRV-UHFFFAOYSA-N 411.937 5.217 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)N1CCSCC1 65477855 GNIFHMDGZXZTHP-UHFFFAOYSA-N 400.397 5.218 0 40 HKAB COc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(Br)ccc4n3)o2)cc1 67299796 JCPVPOJTVXTMGI-UHFFFAOYSA-N 424.250 5.631 0 40 HKAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72214916 RILUQSMIDVWCKQ-QGZVFWFLSA-N 405.539 5.304 0 40 HKAB CC(=O)Nc1ccc(CN2CCC[C@H]2c2cccc(Cc3ccccc3Cl)n2)cc1 72358117 JCBMFZFGBPVNII-VWLOTQADSA-N 419.956 5.621 0 40 HKAB C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)CSCc1ccccn1 79019170 PBNATMAKLAEIRD-ZDUSSCGKSA-N 421.353 5.066 0 40 HKAB Cc1ccc(CN2CCC(c3cc4c(ncn4C(C)C)c(N4CCCC4)n3)CC2)s1 96099995 KWUZAVWSINEVRS-UHFFFAOYSA-N 423.630 5.362 0 40 HKAB CC1CCN(c2ccc3c(-c4ncc(C(=O)NC5CCCCC5)s4)noc3c2)CC1 96266607 ZDICMVCFEACDHC-UHFFFAOYSA-N 424.570 5.250 0 40 HKAB CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(c3nc(-c4cc(C)ccc4C)c(C)s3)C(=O)[C@@H]21 102208368 WITBSXWGOHCWRG-YKCBXCCJSA-N 406.551 5.217 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 106741610 YKVXASFDVIVBHN-JFENUBAZSA-N 419.905 5.893 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2Cl)cc(Br)c1OC(C)C 106989710 BBMCWGAYOPIFGP-UHFFFAOYSA-N 419.146 6.164 0 40 HKAB O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@H]1CN3C[C@@H]1CCC[C@@H]21)c1ccc(Cl)cc1 169683746 XEGWPHFMPASJSA-ZCLUNYJNSA-N 406.957 6.193 0 40 HKAB CCOc1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1OCC 219279417 DWNKWTMJAPBAID-FQEVSTJZSA-N 411.542 5.144 0 40 HKAB O=C(NCCSC1CCCCC1)c1cc(Cl)ccc1OCc1ccccc1 219763948 CKUYYGRIGJYBLF-UHFFFAOYSA-N 403.975 5.715 0 40 HKAB O=C(CCc1cccc2ccccc12)Nc1cc(Cl)ccc1Oc1ccccc1 222667765 ARDHMHHNQIMWJT-UHFFFAOYSA-N 401.893 6.857 0 40 HKAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222759181 JDLQPVHQGUGNGO-MSOLQXFVSA-N 404.322 5.251 0 40 HKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1 223751561 RAHMTXNAMIHSDV-PKTZIBPZSA-N 418.566 5.021 0 40 HKAB Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1C 223973676 PSHCOZQLWASHFF-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 224219432 FTMUMXSFMLCYAK-DHIUTWEWSA-N 402.567 5.484 0 40 HKAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1CSc1ccc(C)cc1 224342178 HKLLOLIQXDRYPM-UHFFFAOYSA-N 405.563 6.473 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Br)cc1F 224665964 DHKODXNMOPTQOB-LJQANCHMSA-N 406.295 5.263 0 40 HKAB CCCOc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C 225580957 WXBMDISLXRGWBI-UHFFFAOYSA-N 401.934 5.433 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)c3cc(C(C)C)c(OC)cc3C)ccc21 225665047 CSRSTTXFKZUGJV-UHFFFAOYSA-N 400.522 6.507 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCN3C[C@H](C)C[C@@H](C)C3)cc2)CCCCCC1 225711359 ITZAQOKKFJBDSV-NHCUHLMSSA-N 416.606 5.111 0 40 HKAB CCO[C@]1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCC[C@H](C)C1 225716271 BUHRMUPLMATFAI-SQJMNOBHSA-N 416.606 5.111 0 40 HKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225745087 UKOKJOCKLRONSK-YKSBVNFPSA-N 404.595 5.111 0 40 HKAB Cc1cc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)ccc1-c1ccc(C(=O)O)o1 226355288 ZLRYGILUFQJXPV-UHFFFAOYSA-N 422.506 5.203 0 40 HKAB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C 257348736 IHNZLUIZUNADFX-RHVSISJHSA-N 414.674 7.102 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3)n2)cc1Cl 408699060 RGCCKIIOSJGFKC-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB S=C(Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCC1 408735612 UHGNTPWWPVHLPC-UHFFFAOYSA-N 411.530 5.723 0 40 HKAB O=C1S/C(=C/c2c[nH]c3ccccc23)C(=O)N1Cc1cccc(Br)c1 409156876 HEINBJDGYIALGI-RQZCQDPDSA-N 413.296 5.167 0 40 HKAB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)C 409192225 VTVPZDMTQULSCS-WOJGMQOQSA-N 403.887 5.377 0 40 HKAB CC[C@@H](C)n1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 409236006 RBUQUJZHVOYWOX-VRCTWVPOSA-N 424.953 6.502 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)cc1 409383931 POKZYNPCXWISPS-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB COc1ccc(NCN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)cc1Cl 1013695 ROXDDTZXUIHVHB-PXNMLYILSA-N 409.294 5.108 0 40 HKAB Cc1ccc2[nH]c(=O)c(-c3nc4ccc(Cl)cn4c3NCc3ccccc3)cc2c1 1330278 DRAHHVVKPSPYDC-UHFFFAOYSA-N 414.896 5.417 0 40 HKAB Cc1ccc(NC(=O)CSc2ccccc2NC(=O)c2ccccc2F)c(C)c1 1332344 NEFBLLAEEFTFAO-UHFFFAOYSA-N 408.498 5.426 0 40 HKAB CC1(C)C(=O)C(C)(C)C12SN(c1ccccc1)C1(S2)C(C)(C)C(=O)C1(C)C 2074682 IJWXJIXRRNHBHV-UHFFFAOYSA-N 403.613 5.551 0 40 HKAB Cc1ccc(C)c(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c1 2094748 XWWWHSGHZPEPBW-UHFFFAOYSA-N 403.478 5.653 0 40 HKAB biogenic Cc1ccc2c(c1)N(C(=O)/C=C/c1ccco1)C(C)(C)C[C@@]2(C)c1ccc(Cl)cc1 2202695 WRHZTXLNLCLNBA-FIUWIIBXSA-N 419.952 6.776 0 40 HKAB Cc1c(CC(=O)O)c(=O)oc2c(C)c3occ(-c4ccc(-c5ccccc5)cc4)c3cc12 2239636 QJCTXDRIILNYIP-UHFFFAOYSA-N 424.452 6.117 0 40 HKAB biogenic CCCCCCc1cc2cc(-c3nnc(-c4ccccc4O)o3)c(=O)oc2cc1O 2275739 FHBSECGYODKAAK-UHFFFAOYSA-N 406.438 5.044 0 40 HKAB Cc1nn(-c2ccccc2)c(NC(=O)C2CCCCC2)c(-c2ccccc2Cl)c1=O 2355512 TXTCSWOZYZPCLO-UHFFFAOYSA-N 421.928 5.380 0 40 HKAB CC(=O)c1sc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1C 3167392 IOOKMJRDMCABKR-UHFFFAOYSA-N 404.413 5.592 0 40 HKAB CC(C)CCN(CCC(C)C)C(=O)CSc1nnc(-c2ccccc2Cl)o1 3244754 RXTUFXCUMKSWFO-UHFFFAOYSA-N 409.983 5.403 0 40 HKAB Cc1ccc(C(=O)[C@@H](Sc2nnnn2-c2cccc(C)c2)c2ccc(C)cc2)cc1 3290670 YZLJPXSXFWHFHI-QHCPKHFHSA-N 414.534 5.304 0 40 HKAB COc1ccc(C(C)=O)cc1C[C@H](C(=O)c1ccc(Cl)cc1)N1CCCCCC1 3339951 ODFKTWYRVDKYLP-JOCHJYFZSA-N 413.945 5.221 0 40 HKAB C[C@H](CCc1cn(Cc2ccccc2)c2ccccc12)NC(=O)c1ccc(F)cc1 3765580 BCTKCXLUQOSOMO-LJQANCHMSA-N 400.497 5.580 0 40 HKAB CCN(CC)c1ccc2cc(-c3csc(/C=C/c4ccccc4)n3)c(=O)oc2c1 4116004 HFNSDZNDVDTCEJ-JLHYYAGUSA-N 402.519 5.933 0 40 HKAB C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4128711 PBSOPSDEYNTFAZ-AOEDLRHDSA-N 404.591 5.688 0 40 HKAB CCCCOc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 4361209 YJYUIXFKRBVHDI-GBXCKJPGSA-N 404.535 6.169 0 40 HKAB C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)c1ccc(Br)cc1 4548525 DRKKXDJQMWBTTF-JTQLQIEISA-N 407.264 5.002 0 40 HKAB S=c1n(C2CCCCC2)c2ccccc2n1C1c2ccccc2Oc2ccccc21 4628711 NEWWJFVRXOOWQU-UHFFFAOYSA-N 412.558 7.421 0 40 HKAB CCCCOc1ccc(-n2c(-c3ccc(C)cc3)nc3nc4ccccc4nc32)cc1 5066470 IBJYXGNNYGNMAE-UHFFFAOYSA-N 408.505 6.123 0 40 HKAB CCOc1ccc(C2=NN(C(=O)c3ccc(Cl)cc3)[C@@H](c3ccccc3)C2)cc1 5258683 XMKONUNVNXDWKE-HSZRJFAPSA-N 404.897 5.730 0 40 HKAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1 5441891 PETIOJPONPUFHY-UHFFFAOYSA-N 418.493 5.016 0 40 HKAB O=C(O)CCc1ccc(-c2ccc(F)cc2)n1-c1ccc(/N=N/c2ccccc2)cc1 6423111 SNQYZYUGPYJWQG-BYYHNAKLSA-N 413.452 6.716 0 40 HKAB C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(Oc2ccccc2)cc1 6561031 ZBXLNCAOZYWTRZ-BALBBAFXSA-N 419.521 5.566 0 40 HKAB Cc1cc([C@@H]2S[C@@H](C)C(=O)N2Cc2ccc(Cl)cc2)cc(C)c1OC(F)F 6602827 AZLNTSNBMWICEP-DJJJIMSYSA-N 411.901 5.721 0 40 HKAB Cc1nc(-c2ccc(NC(=O)c3ccc(Cl)cc3N3CCCC3=O)cc2)cs1 7445028 DVNYTOHVWQNERF-UHFFFAOYSA-N 411.914 5.151 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 7981667 FSWFXSNCRFKWPG-UHFFFAOYSA-N 410.477 5.058 0 40 HKAB Cc1csc(SCc2c(C(=O)NCc3cccs3)oc3ccccc23)n1 8275767 YDUQEMOQDWOVIK-UHFFFAOYSA-N 400.550 5.482 0 40 HKAB CCOc1cc(CN(C(=O)/C=C/c2cccc(F)c2)C2CC2)ccc1OC(F)F 8709208 WJFVVSCGVASNGQ-YRNVUSSQSA-N 405.416 5.030 0 40 HKAB O=C(Nc1nc(-c2ccncc2)cs1)[C@@H](Sc1ccccc1)c1ccccc1 8720549 JRHQQYLKRNJEGZ-FQEVSTJZSA-N 403.532 5.677 0 40 HKAB Cc1c(Cl)cccc1NC(=O)Cc1csc(SCc2ccc(Cl)cc2)n1 8854455 RMTMHHHXBAVOBX-UHFFFAOYSA-N 423.390 6.232 0 40 HKAB Cc1noc(C)c1C(=O)O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 9641584 SQFKUNBJKBGZFJ-GOSISDBHSA-N 419.264 5.135 0 40 HKAB Fc1ccc(CSc2nnc(-c3cnn(-c4ccccc4)c3-n3cccc3)o2)cc1 12338464 PSEUZFGICOZSOO-UHFFFAOYSA-N 417.469 5.144 0 40 HKAB COc1ccc(-c2nc(C(=O)N(Cc3ccco3)c3ccccc3)cs2)cc1OC 12749230 MJELVFASFVJZPY-UHFFFAOYSA-N 420.490 5.267 0 40 HKAB CN(C(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1)c1ccccc1 12845347 GTLHWZKJIYMTET-UHFFFAOYSA-N 418.856 5.023 0 40 HKAB CCOc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc(Br)c1OC 14388080 DOXQOZMISDXOBP-NSHDSACASA-N 412.711 5.001 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)/C(=C/c1ccco1)c1ccccc1 14413058 ZYYQSWMKLBHOJT-OQKWZONESA-N 415.876 6.905 0 40 HKAB CCCCn1c(SCc2nc3ccccc3n2C(F)F)nc2ccccc2c1=O 14902427 WKIKGIOEUZBUNJ-UHFFFAOYSA-N 414.481 5.234 0 40 HKAB c1ccc(-c2nc(Sc3nc4c(ccc5nsnc54)[nH]3)c3ccccc3n2)cc1 15228879 KDCVPVFVPYEULH-UHFFFAOYSA-N 412.503 5.329 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)cc1 16789183 IOMUDGNZRIBLJY-UHFFFAOYSA-N 419.937 5.871 0 40 HKAB CCOc1ccc(N2CCn3c(SCc4ccc(C(F)(F)F)cc4)nnc32)cc1 17307782 ZRYYEYAFLRBUOH-UHFFFAOYSA-N 420.460 5.140 0 40 HKAB CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCCN1Cc1ccccc1Cl)c1ccccn1 19081754 JIRXMUSMNLRCSB-UGKGYDQZSA-N 413.993 5.383 0 40 HKAB CC(C)(C)CC(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19082652 PMFCCKRSCMYBIA-NRFANRHFSA-N 415.541 5.382 0 40 HKAB COc1ccccc1-c1noc(C)c1C(=O)Nc1ncc(Cc2ccccc2F)s1 19579694 XVLOZONGWURLOJ-UHFFFAOYSA-N 423.469 5.097 0 40 HKAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCN2C(=O)CC2CCCC2)n1 19689411 QJVUXIVIPSBGLK-FQEVSTJZSA-N 412.965 5.107 0 40 HKAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cc(Br)ccc1Cl 20138482 YINSYIDGUYOIJI-UHFFFAOYSA-N 406.663 5.107 0 40 HKAB CC1=C[C@@H](CN2CCC(C)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 30882918 RJHNPRNIIGGZDE-VABKMULXSA-N 408.590 5.261 0 40 HKAB biogenic,in-vitro C[C@@H](c1ccccc1)N1COc2cc3c(cc2C1)OCN([C@H](C)c1ccccc1)C3 31628933 ZNAJPOXHIBRONX-BGYRXZFFSA-N 400.522 5.513 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3s2)cc1NS(=O)(=O)c1ccccc1 32930139 HOKOZIOKVAHVMW-UHFFFAOYSA-N 422.531 5.263 0 40 HKAB CCOc1c(Cl)cc(C(=O)Nc2cccc(C)c2C)cc1OCc1ccccc1 33871064 NSHRBKXYWILPEK-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB COc1ccc(NC(=O)c2cccc(CSC)c2)cc1NC(=O)c1cccc(F)c1 36397485 XXPKPFZLLUDIKD-UHFFFAOYSA-N 424.497 5.202 0 40 HKAB O=C(Nc1ccccc1Cc1ccccc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 40098874 GEKHIBFUDQCRDA-NRFANRHFSA-N 410.521 5.565 0 40 HKAB CCOc1cccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 44911271 ZKXTZPKUFAWWHZ-UHFFFAOYSA-N 407.341 5.243 0 40 HKAB COc1ccc(C(=O)N2CN(CCC3=CCCCC3)Cc3c2sc(C)c3C)cc1 54350464 HODRQVGFVKHHKX-UHFFFAOYSA-N 410.583 5.684 0 40 HKAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72214894 LQXWSCADSWBTGY-NRFANRHFSA-N 423.557 5.599 0 40 HKAB CCCOc1ccc(-c2csc(NC(=O)c3ccc(Br)s3)n2)cc1 90421226 ZSRZUZSAWFRPEC-UHFFFAOYSA-N 423.357 5.675 0 40 HKAB COc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1cccc(Cl)c1 107641007 HQWALTHSHALMRN-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB C[C@@H]1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118936408 CIBAPVLFORANSS-XPISADQXSA-N 414.630 6.002 0 40 HKAB in-man CC[C@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccc(C)cc1C 218844821 FCPPNIMXWAKVGW-IBGZPJMESA-N 404.348 5.329 0 40 HKAB O=C(COc1cccc2ccccc12)NCCSCc1ccc(Cl)c(Cl)c1 218909305 QEICEOVPCNNZSR-UHFFFAOYSA-N 420.361 5.575 0 40 HKAB CCOc1ccc(CNC(=O)CCCSc2ccc(Cl)cc2)cc1OCC 222689709 YGEVYNJHVLQTQI-UHFFFAOYSA-N 407.963 5.326 0 40 HKAB Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)o1 222849572 SKKGATWQUANGPZ-SFTDATJTSA-N 411.958 5.684 0 40 HKAB C[C@@H]1CCCN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCCC3)cn2)C1 223993191 GXTOSAGAMKWSEN-HXUWFJFHSA-N 422.642 5.506 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1ccc(Cl)c(C)c1 224542166 JRVBKQYUGLJXEJ-UHFFFAOYSA-N 423.940 6.441 0 40 HKAB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1ccc2c3c(cccc13)CC2 224557785 MKTKAEJGBGQKTI-UHFFFAOYSA-N 406.485 5.471 0 40 HKAB CCC1(CC)C[C@H](NC(=O)c2ccccc2OCc2ccccc2)c2ccccc2O1 224730408 KZYLBBZKWSFKMG-QHCPKHFHSA-N 415.533 6.078 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(F)cc3)o2)c(OC)c1 224931881 QFRCYWARYVQYNR-UHFFFAOYSA-N 418.424 5.417 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCc3cccnc3)c2)cc1 225332078 SPDBJRYDZPDSAE-UHFFFAOYSA-N 403.551 5.097 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccccc2C)c1 225823696 SRBLTLHRNTWFCF-OSVNEOKWSA-N 404.535 5.013 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@H]3c2ccncc2)cc1 248380009 OQSFXQXBUVFXKX-DHLKQENFSA-N 415.493 5.121 0 40 HKAB CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 299888338 FXWAFDROLPRQFL-GRTWRMIDSA-N 414.674 6.382 0 40 HKAB COc1ccc(CCNC(=S)c2cccc(OCc3ccc(Cl)cc3)c2)cc1 408573238 JIHOOQAGOHUOOB-UHFFFAOYSA-N 411.954 5.435 0 40 HKAB COc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(Cl)cc3)n2)c1 408696828 CHWVHGFLDAJFOW-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB CCCc1sc(NC(=O)c2ccccc2OC)nc1-c1ccc(Cl)c(Cl)c1 408836687 UIWBEYWOZAJBHS-UHFFFAOYSA-N 421.349 6.330 0 40 HKAB COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccccc1Cl 409181069 VLPOJONNCSQLOC-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB CCOc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(C)C 409356008 GBESHBBVHCKPCM-UNOMPAQXSA-N 417.914 5.767 0 40 HKAB CC(C)Oc1cc(Cl)ccc1-c1ccc(C(=O)O)c(Cc2ccc(Cl)cc2)n1 585264863 AAAHRAYWIHLPNO-UHFFFAOYSA-N 416.304 6.132 0 40 HKAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)C1c2ccccc2Oc2ccccc21 618256661 VQNBUWZEPKGJDD-NRFANRHFSA-N 411.457 5.034 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1cc(Cl)ccc1Cl 722666 JYMXAABCEKSWMG-UJKMTWAASA-N 420.295 5.390 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 726960 BFOADEHYDMHDRC-UHFFFAOYSA-N 422.819 5.382 0 40 HKAB Cc1nn(Cc2cccc(C(=O)Nc3nc(-c4ccccc4)cs3)c2)c(C)c1Cl 1049573 ODJHDDVASWHJHW-UHFFFAOYSA-N 422.941 5.577 0 40 HKAB O=C(c1cccc(F)c1)N1CCc2cc(-c3csc(NC4CCCCC4)n3)ccc21 1354412 YUJHJWKBCHSSEX-UHFFFAOYSA-N 421.541 5.897 0 40 HKAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)c1cccs1)c1ccccc1 1376085 QVZKPGFHBYAJKF-QFIPXVFZSA-N 404.535 5.195 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CN1c1ccccc1 1448239 VDDFWXDLTSHWFB-SFHVURJKSA-N 401.897 5.259 0 40 HKAB CCO[P@](=O)(C(NC(=O)c1ccc(Cl)cc1)=C(Cl)Cl)c1ccccc1 1921282 IZJXSBPPKSPIKH-VWLOTQADSA-N 418.644 5.314 0 40 HKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Oc3ccc(Cl)cc3Cl)c2c1 2079366 TTWDXZUIWUYFMN-UHFFFAOYSA-N 408.284 6.736 0 40 HKAB CC(C)(C)c1ccc(-c2nn(CNc3ccc(Cl)c(Cl)c3)c(=S)o2)cc1 2290617 YNEHPNVTKIQRMU-UHFFFAOYSA-N 408.354 6.546 0 40 HKAB CCCCCOC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 2407284 OTVLMPCPMXYVFK-UHFFFAOYSA-N 408.889 5.156 0 40 HKAB Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 2419741 IBTZYDFXLZAQJV-SFHVURJKSA-N 422.893 5.270 0 40 HKAB Cc1ccc(C)c(CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)c1 2435372 CASLGZAIAVWVDR-UHFFFAOYSA-N 409.942 6.149 0 40 HKAB O=C(OCc1nnc(-c2ccccc2)o1)c1ccccc1OCc1ccc(Cl)cc1 2618465 HWOADZHZXZAOKB-UHFFFAOYSA-N 420.852 5.326 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1C 2626736 YOPVMNSDEPDZNR-UHFFFAOYSA-N 403.507 5.672 0 40 HKAB Cc1ccc(Nc2nc(COC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cs2)cc1 2662656 YFOGWXSVVKLSFW-OAQYLSRUSA-N 424.522 5.110 0 40 HKAB Cc1cccn2cc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc12 2697186 XLEUFPPAUFRNAH-UHFFFAOYSA-N 406.283 5.325 0 40 HKAB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3cc(Cl)ccc3Cl)n2)cc1C 2733448 JIRJICZTCVLNGT-UHFFFAOYSA-N 421.371 7.747 0 40 HKAB CCN(C(=S)NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1 2807734 ODMJIXBWFRGEJM-UHFFFAOYSA-N 411.530 5.443 0 40 HKAB CC1(C)[C@H]2CC[C@]1(C)c1c2c(COC(=O)c2ccccc2Cl)nn1-c1ccccc1 3172150 OZFDBRNTPRGRLL-AVRWGWEMSA-N 420.940 6.058 0 40 HKAB CC(C)Cn1c(SCC(=O)Nc2ccccc2OC(F)F)nc2ccccc21 3286500 FNKFNXYTNIFTFH-UHFFFAOYSA-N 405.470 5.025 0 40 HKAB CC1=C[C@@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]1[C@H]2C 4025925 FSFRMGYTTNBARV-XYFMFJBZSA-N 420.505 5.178 0 40 HKAB COc1ccccc1[C@]1(CCN(Cc2ccccc2)C(C)=O)CCO[C@@H](C(C)C)C1 4043216 QBAQLXNSVGMBMM-CLJLJLNGSA-N 409.570 5.207 0 40 HKAB biogenic Cc1cc(C)c2nc(N(Cc3cccnc3)C(=O)CCOc3ccccc3)sc2c1 4273293 KRNXCZLKBAJZJS-UHFFFAOYSA-N 417.534 5.310 0 40 HKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)SC3 4311855 AZLDSDPXFFQNFT-UHFFFAOYSA-N 416.637 5.907 0 40 HKAB Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@H](c1cccnc1)O2 4871797 NTSXZTJFYARBHS-LPHOPBHVSA-N 412.312 5.148 0 40 HKAB CC1(C)N=C(SCC(=O)Nc2ccc(Cl)cc2)C(c2ccc(Cl)cc2)=N1 4890855 FGBGDNROVYGTRP-UHFFFAOYSA-N 406.338 5.303 0 40 HKAB CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 4910557 LYHGXRXTRCTFMN-VWLOTQADSA-N 411.549 5.584 0 40 HKAB C(=C\c1ccc(-[n+]2nc(-c3ccccc3)nn2-c2ccccc2)cc1)\c1ccccc1 4916716 ZLKDAUOJQKIWLC-MSUUIHNZSA-N 401.493 5.381 0 40 HKAB COc1ccc(Cn2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1 5066229 JCDJBHZLBMJBHF-UHFFFAOYSA-N 400.869 5.357 0 40 HKAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(NC(C)=O)cc1 5520853 YYFCEGZHJIDDQT-UHFFFAOYSA-N 417.387 5.132 0 40 HKAB CCCCCCOc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 5608086 SWITVLMHGCJJSZ-UHFFFAOYSA-N 414.977 5.570 0 40 HKAB CC(C)c1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2C(C)C)nc1 5633640 NRKDNNYILKFIMY-UHFFFAOYSA-N 401.510 5.833 0 40 HKAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 6155509 ZCBQMKRZHJSOEM-UHFFFAOYSA-N 422.500 5.471 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1c(Cl)cccc1Cl)N2 6269868 RQSCSMWYGHTBAE-BUKVSMQUSA-N 410.300 6.163 0 40 HKAB S=C(Nc1ccccc1)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 6616060 IIEHVYCJDHBAOQ-UHFFFAOYSA-N 410.506 5.429 0 40 HKAB CCCCc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc1 6652797 QTZWGVFEPOMARA-HKOYGPOVSA-N 400.478 6.117 0 40 HKAB C[C@H]1C[C@@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 6755173 ALPRRIBTOUMOIX-HTAPYJJXSA-N 400.478 5.203 0 40 HKAB CC(C)c1ccc(CCN2CN(Cc3ccccc3)c3nc4ccccc4n3C2)cc1 7699078 RPNHZMPUNDUBRM-UHFFFAOYSA-N 410.565 5.640 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 7699553 CCHRCCSAYDOMMZ-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCCSc2ccccc21 7785840 KHGHQIVHGWZCEJ-UHFFFAOYSA-N 412.518 5.077 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1-n1ccnc1)c1ccc(-c2ccccc2)cc1 8311059 LMVDVTWOHQYFAV-UHFFFAOYSA-N 407.395 5.810 0 40 HKAB CC(C)n1ncc2c(C(=O)N3CC=C(c4ccccc4)CC3)cc(-c3ccccc3)nc21 8339826 LKMUUEKWXNMNKJ-UHFFFAOYSA-N 422.532 5.609 0 40 HKAB COc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc(Br)c1OC 8534502 YJRUVTAUBHHGTA-LVBDODCMSA-N 408.380 5.305 0 40 HKAB COc1ccc2c(CC(=O)N(CCc3cccs3)Cc3cccs3)coc2c1 9547317 LAUWMNIFUBOILJ-UHFFFAOYSA-N 411.548 5.378 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=O)CCc1ccccc1Cl)c1ccccc1 10457962 XCVQSBLKTARSMU-QGZVFWFLSA-N 406.913 5.402 0 40 HKAB CC(C)c1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1 12062549 CZKACEICKFSTQA-QFIPXVFZSA-N 401.934 5.050 0 40 HKAB CN1CCN(c2cc(O)c(Sc3nc4ccccc4s3)c3ccccc23)CC1 12416760 RXGPRPINTNMQKU-UHFFFAOYSA-N 407.564 5.058 0 40 HKAB Cc1ccc(Sc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)cc1 12767550 PQYKQPCOZZSKGP-UHFFFAOYSA-N 421.547 5.199 0 40 HKAB CCn1c(S[C@@H]2CCCCCC2=O)nc2scc(-c3cccs3)c2c1=O 12931146 XZQWQHLEWFGCNK-OAHLLOKOSA-N 404.582 5.200 0 40 HKAB Cc1ccc(OCCn2c([C@@H](C)c3ccc(CC(C)C)cc3)nc3ccccc32)cc1 13030915 VCKOHXSGTAVHOL-QFIPXVFZSA-N 412.577 6.774 0 40 HKAB CC(C)c1ccc(N2C[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)cc1 13037030 UNGDQCJRSLUZDB-INIZCTEOSA-N 415.415 5.399 0 40 HKAB CCCCCCn1c(CCC)nc2c(sc3nc4c(cc32)COC(C)(C)C4)c1=O 13282006 MCFBEZVQALAACN-UHFFFAOYSA-N 413.587 5.390 0 40 HKAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc(C)c4)=NN32)cc1OC 13776928 LLRGKPJWNBLBNQ-OFVILXPXSA-N 400.478 5.255 0 40 HKAB COc1ccc(-c2c(C)nn3c2N=C(c2ccccc2C)C[C@@H]3c2cccnc2)cc1 14607620 UCBLLLBESMDDCJ-XMMPIXPASA-N 408.505 5.684 0 40 HKAB Cc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc(Br)cc1 14911517 JVTWOIVPKQLTBN-UHFFFAOYSA-N 407.720 5.787 0 40 HKAB COc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nc3ccccc32)cc1 15981711 FNAUUANVULBQGI-UHFFFAOYSA-N 417.534 5.382 0 40 HKAB CCc1ccc(O[C@H](C)c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1 17092939 SBROCGLBPNAGHT-CYBMUJFWSA-N 422.381 6.117 0 40 HKAB Cc1ccc(-c2csc(SCC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 19849726 MAZDHCWCTRJOLJ-UHFFFAOYSA-N 401.556 6.761 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)NC1CCCCC1 20106321 XRGAEQKMVXJPMO-UHFFFAOYSA-N 402.494 5.163 0 40 HKAB CSc1cccc(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c23)c1 33169962 WKKGHOVPRHPVCL-UHFFFAOYSA-N 406.536 5.078 0 40 HKAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cc2ccccc2o1 35073966 YMWDUWKEMIZERY-UHFFFAOYSA-N 415.832 6.112 0 40 HKAB C=Cc1ccc(CSc2nnc3n(CCC(C)C)c(=O)c4sccc4n23)cc1 35529069 VAVSCHLTLNAWFG-UHFFFAOYSA-N 410.568 5.087 0 40 HKAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(N[C@H](C)c2ccccc2)cc1 40158557 CNWZICDZDRFJRN-GOSISDBHSA-N 404.558 5.510 0 40 HKAB Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CCCc2ccccc2)CC1=O 40251450 KXUOTOAYNXRJCW-JOCHJYFZSA-N 409.533 5.498 0 40 HKAB CC(C)c1ccc(/C=C/c2ccnc3nc(N4c5ccccc5C[C@H]4C)[nH]c(=O)c23)cc1 40388429 RDYJDQBHBOVSAI-LVMGUKCRSA-N 422.532 5.695 0 40 HKAB CCOc1ccc2nc(NC(=O)c3c(C)noc3-c3ccc(Cl)cc3)sc2c1 41097615 WRHUQCIDRYTSCL-UHFFFAOYSA-N 413.886 5.564 0 40 HKAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078786 MRCOCKGXYTXWDY-UHFFFAOYSA-N 408.860 5.324 0 40 HKAB Cc1cc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ncc1Br 46085457 DWRJBHCTYPIFMJ-UHFFFAOYSA-N 418.294 5.620 0 40 HKAB O=C(CN1CCC[C@@H]1c1cccs1)N(CC(F)(F)F)c1ccc(Cl)cc1 48355794 HBPWENZHOXDFDY-OAHLLOKOSA-N 402.869 5.134 0 40 HKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 59267866 PSUPLBYMKTWCHT-UHFFFAOYSA-N 408.310 5.391 0 40 HKAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(OC(F)(F)F)cc1 60037643 IJENAHQDUBLAJB-AWEZNQCLSA-N 419.472 5.956 0 40 HKAB COc1ccc([C@H](C)Nc2nc3c(-c4ccc(F)cc4)nnn3c3ccccc23)cc1 67261437 SKDXYCXMTLVAOF-HNNXBMFYSA-N 413.456 5.265 0 40 HKAB C/C(=C\c1ccccc1)CN1CC[C@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 72371555 JALQDHIXHWKOLO-DQYQWZCESA-N 405.517 5.063 0 40 HKAB O=c1c2ccccc2c(-c2nc(-c3ccc(Cl)cc3)no2)cn1-c1ccc(F)cc1 96324376 IPBOINQKNOPKET-UHFFFAOYSA-N 417.827 5.500 0 40 HKAB Cc1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c(Br)c1 98073010 PNNZGYYIEZCIDD-INIZCTEOSA-N 422.322 5.731 0 40 HKAB COc1ccc(NC(=O)O[C@@H]2/C(=C/c3c(F)cccc3Cl)N3CCC2CC3)cc1 100325777 UQQUQBKBXMVRSY-MSTPFNHUSA-N 416.880 5.172 0 40 HKAB O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1c1cccc(Cl)c1 113836168 SBNVWFFVRKIZJV-FYJGNVAPSA-N 421.905 6.160 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 222924542 JSCONZKMNRZUGR-HSZRJFAPSA-N 422.569 5.406 0 40 HKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 222987095 STICXHPZLBWSAV-OAQYLSRUSA-N 408.586 5.076 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)NCCOc1ccc(Cl)cc1 223442844 OIQIHOHKEVOTJW-UHFFFAOYSA-N 404.746 5.075 0 40 HKAB Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1 224174622 LEZBOOPCRWHQDZ-ZEQRLZLVSA-N 410.546 5.358 0 40 HKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 409173068 LLPPECCTYCAAAZ-MOPGFXCFSA-N 418.562 5.605 0 40 HKAB CCCOc1ccc(-c2cc(C(=O)N3CCc4ccccc43)c3ccccc3n2)cc1 2088353 WHAFMGIGAXQFHU-UHFFFAOYSA-N 408.501 5.894 0 40 HKAB Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2)sc1C 2198716 DNDDOPZEDVZPSO-GOSISDBHSA-N 422.893 5.270 0 40 HKAB O=C1CCCc2oc3c(cc(NS(=O)(=O)c4ccc(F)cc4)c4ccccc43)c21 2494776 ABAMYNWKZNNOLF-UHFFFAOYSA-N 409.438 5.045 0 40 HKAB CCN(CC)c1nc2nc(-c3ccc4ccccc4c3)cc(C(F)(F)F)c2s1 2637913 VCOVSNPHKQNMJH-UHFFFAOYSA-N 401.457 6.377 0 40 HKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1C 2887614 RRTMSOWCAGHWJU-UHFFFAOYSA-N 420.365 5.708 0 40 HKAB COC(=O)c1ccccc1Sc1nc2ccccc2cc1-c1ccc(Cl)cc1 3049470 OBROUCWJTFINQW-UHFFFAOYSA-N 405.906 6.493 0 40 HKAB Cc1cc(OCCCn2cc(C(=O)c3cccs3)c3ccccc32)ccc1Cl 3648846 CHVCTQMQRCCYOI-UHFFFAOYSA-N 409.938 6.365 0 40 HKAB COc1ccc(CN(CC[C@]2(Cc3ccccc3)CCOC(C)(C)C2)C(C)C)cc1 4025196 ORDANFJUNVLVQI-HHHXNRCGSA-N 409.614 6.114 0 40 HKAB biogenic CC[C@]1(C)C[C@@H]([C@@H](CCN(Cc2ccccc2)C(C)=O)c2ccc(OC)cc2)CCO1 4028185 SJNCWJQRIMYGPD-DOEKTCAHSA-N 423.597 5.813 0 40 HKAB biogenic CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 4491395 CSNLCSVOUINGFO-UHFFFAOYSA-N 412.558 7.027 0 40 HKAB COc1ccc(C2=NN(C(=O)C34CC5CC(CC(C5)C3)C4)[C@H](c3ccccc3)C2)cc1 4578249 WMGJQMDFKRWUON-DFFJHKNISA-N 414.549 5.589 0 40 HKAB CCCCCCSc1nnc2c(n1)O[C@H]([C@@H]1CC=C(C)C[C@@H]1C)Nc1ccccc1-2 4631146 ARMZDRAAYLROFH-NJNPRVFISA-N 424.614 6.334 0 40 HKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(F)(F)F)cc1 4695600 IOJYFIZZLRRJFD-UHFFFAOYSA-N 414.880 5.783 0 40 HKAB CCCCN1C(=S)S[C@H](N(O)C(=O)Nc2cccc3ccccc23)C1(C)C 4732501 UANVGWMSOBEICU-KRWDZBQOSA-N 403.573 5.301 0 40 HKAB CN(C)CCN(C(=O)CCSc1ccccc1)c1nc2c(Cl)cccc2s1 5121433 QWATWOQVCQCCGO-UHFFFAOYSA-N 420.003 5.027 0 40 HKAB COc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)c(F)c2)c1 5156528 TWIFJXDMAOHZMO-FYYLOGMGSA-N 408.860 5.730 0 40 HKAB Cc1ccc(CSc2nnc(-c3cccc(C)c3)n2-c2ccc(Cl)cc2)cc1 5478571 PXHAAYWJTLTOOX-UHFFFAOYSA-N 405.954 6.497 0 40 HKAB O=C(O)CC/C(=C\c1cccc(Oc2ccccc2)c1)c1nc2ccccc2s1 5560412 NDZYKOZXMMKTEC-OBGWFSINSA-N 401.487 6.494 0 40 HKAB CCn1c2ccccc2c2cc(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)ccc21 5656628 HFCOTZYCYLQFDM-UHFFFAOYSA-N 419.506 5.493 0 40 HKAB O=C1OC(c2ccc(Oc3ccccc3)cc2)=N/C1=C\c1ccccc1OC(F)F 6044400 XGNQCOKLXRJGRB-RGEXLXHISA-N 407.372 5.425 0 40 HKAB CCCC[C@@](CC)(CCCNC(=O)c1cccc(C)c1)CNC(=O)c1cccc(C)c1 6264602 CEHSIVFSVUSZIJ-MHZLTWQESA-N 422.613 5.830 0 40 HKAB CCCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(OCCC)c1 6505375 KJDIRVZOAZYGKJ-UHFFFAOYSA-N 412.533 6.988 0 40 HKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 6587882 AJCOJNIDPWQPOB-FDQGKXFDSA-N 401.330 5.083 0 40 HKAB COc1ccc(N[C@@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1Cl 6638754 VYQSSOFCOFOYGL-JOCHJYFZSA-N 408.885 5.343 0 40 HKAB Cc1ccc2nc(-c3cc4cc(C56CC7CC(CC(C7)C5)C6)ccc4oc3=O)[nH]c2c1 6664340 ATPUJAZEOYSYMH-UHFFFAOYSA-N 410.517 6.113 0 40 HKAB CCOc1cc(CNC2CCCCCCC2)cc(Cl)c1OCc1ccccc1F 7523366 CHAWBIIOKNBZGT-UHFFFAOYSA-N 419.968 6.659 0 40 HKAB Fc1ccc(COc2ccccc2CNn2c(-c3ccccc3)n[nH]c2=S)cc1 7601475 QFUGLOJPRPGKTC-UHFFFAOYSA-N 406.486 5.069 0 40 HKAB CC(C)c1cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)c2cnn(C(C)C)c2n1 8279486 OKKCXOCXHDSMJT-OAHLLOKOSA-N 421.570 5.579 0 40 HKAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)c1 9135316 CTVWYXKQPHYETK-UHFFFAOYSA-N 408.841 5.024 0 40 HKAB Clc1ccc(-c2noc(CSc3nnc(C4CC4)n3Cc3ccccc3)n2)cc1 9499856 SYXZYPUPZFOKEB-UHFFFAOYSA-N 423.929 5.200 0 40 HKAB COc1ccc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1 9666250 VUQYVDPKHYDNTH-UHFFFAOYSA-N 423.972 5.056 0 40 HKAB Cc1cc2oc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)c(C)c2cc1C 11914441 BQQDZJNOIHGEQZ-UHFFFAOYSA-N 412.514 6.887 0 40 HKAB CCOc1ccc([C@H]2Oc3c(OCC)cccc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 12196251 BAZVQJYTTJQAQG-PXDATVDWSA-N 418.493 5.628 0 40 HKAB Cc1cc(C)c2c(NC(=O)CC(C)(C)C)c(C(=O)N(C)c3ccccc3)sc2n1 12446487 WIQZBAYWEQFGCE-UHFFFAOYSA-N 409.555 5.564 0 40 HKAB C[C@@H](NC(=O)CSc1nc2ccccc2n1CCc1ccccc1)c1ccccc1 12623080 BQYQPQRAFKFYBJ-LJQANCHMSA-N 415.562 5.249 0 40 HKAB COc1cc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c(OC)cc1Cl 12886760 YMCOLTQDAXPWHB-UHFFFAOYSA-N 416.909 5.059 0 40 HKAB COc1ccc(C)cc1NC(=O)CSCc1coc(-c2ccc(Cl)cc2)n1 12928184 GIPCGSMNFNOQCE-UHFFFAOYSA-N 402.903 5.184 0 40 HKAB CC[C@H]1CCc2sc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)cc2C1 13110079 FIQPUFGHYDKWJQ-LBPRGKRZSA-N 420.460 5.115 0 40 HKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 13685734 NOFMGAHCNCTYRH-PMACEKPBSA-N 416.521 5.200 0 40 HKAB Cc1c(C(=O)c2ccccc2)oc2ccc(NC(=O)CCc3cc(Cl)no3)cc12 13693725 BODXMQVMFMCINS-UHFFFAOYSA-N 408.841 5.185 0 40 HKAB COC(=O)CCc1sc(Nc2ccc(F)c(F)c2F)nc1-c1ccc(OC)cc1 13893073 SFEIIASJHCMSFM-UHFFFAOYSA-N 422.428 5.085 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc(Cl)ccc1Cl 15961930 UPIVJKSYCGOQSN-UHFFFAOYSA-N 419.230 5.101 0 40 HKAB COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)/C=C/c3cccs3)nc12 16838750 ULGLYIPSSRKFIQ-CSKARUKUSA-N 421.547 5.316 0 40 HKAB COc1ccc(-c2nn(-c3ccc(Cl)cc3)c(-c3ccc(OC)cc3)c2C)cc1 17083071 ZEOGEJHELIRWMZ-UHFFFAOYSA-N 404.897 6.185 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1Cl 17087626 DVQKWSMAFYXAFD-UHFFFAOYSA-N 407.341 5.881 0 40 HKAB CC1CCN(c2ccccc2NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)CC1 17089733 ITYNLKBJIBUODQ-DHZHZOJOSA-N 413.974 5.103 0 40 HKAB Fc1ccc(-c2cc(-c3ccc(F)cc3)n(Cc3cccc(C(F)(F)F)c3)n2)cc1 17089784 BCOOASWMAYCDCI-UHFFFAOYSA-N 414.377 6.562 0 40 HKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20045595 UDMNINQFPHIBSD-JOCHJYFZSA-N 421.924 5.984 0 40 HKAB Cc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCCC3)n2)cc1Cl 27643196 DMOXDZRHQWFBDH-UHFFFAOYSA-N 415.328 5.574 0 40 HKAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1OC(F)F 32996017 UVURLLVWZAUTLV-LJQANCHMSA-N 406.432 5.331 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1 33088699 PEFHSJMSCLRSGL-UHFFFAOYSA-N 420.534 5.087 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@H](Nc1ccccn1)C(Cl)(Cl)Cl 35185518 PQOGPQCDZDICOM-CTASWTNQSA-N 422.784 5.377 0 40 HKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CCC4=C(CC[C@@]4(C)[C@@H](C)OC(C)=O)[C@H]3CC[C@@]2(C)C1 35415697 PFGGRDCYFHNFSS-QOLRKYBBSA-N 416.602 5.983 0 40 HKAB Cc1[nH]c2ccccc2c1[C@@H](C(=O)O)N1CCC[C@H](c2nc3ccccc3s2)C1 35581042 UKUTVZZBLMWKBI-BTYIYWSLSA-N 405.523 5.091 0 40 HKAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N3c4ccccc4C[C@@H]3C)c12 36617049 KFDILSOKQIIBGM-KRWDZBQOSA-N 422.532 5.257 0 40 HKAB CCCCOc1ccc(-c2cc3c(SCc4cccc(Cl)c4)nccn3n2)cc1 45925377 DBNQYZXGPFHXEB-UHFFFAOYSA-N 423.969 6.521 0 40 HKAB Cc1ccc(C(=O)N2C(=S)C(c3cccc(Cl)c3)=NC23CCCCCC3)cc1 45932789 QRXOSRQRZBHBHL-UHFFFAOYSA-N 410.970 5.971 0 40 HKAB COc1ccccc1Cc1nnc(NC(=O)c2ccccc2Oc2ccccc2)s1 58978834 WMHKVKSXUQRHDV-UHFFFAOYSA-N 417.490 5.182 0 40 HKAB CC(C)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 59210980 TXFYKJBWIITZLP-UHFFFAOYSA-N 404.348 5.888 0 40 HKAB Brc1ccccc1-c1nn2c(C34CC5CC(CC(C5)C3)C4)nnc2s1 72333533 SURJTNXKLSREOF-UHFFFAOYSA-N 415.360 5.083 0 40 HKAB CC(C)(CC(=O)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1)c1ccccc1 84325839 NDGUJTIMSHBRHV-HSZRJFAPSA-N 413.521 5.036 0 40 HKAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cc(F)c(F)c(F)c1F 84603798 SKCNOAXKSNBOKM-UHFFFAOYSA-N 406.360 5.043 0 40 HKAB COc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc1 102728091 JNYPVTWPHZPOGB-AOMKIAJQSA-N 402.450 5.305 0 40 HKAB COc1cc(CNc2ccc(Br)cc2)ccc1OCc1ccc(F)cc1 107041635 OKCNIYIEQMKJBM-UHFFFAOYSA-N 416.290 5.788 0 40 HKAB COc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 107042581 UKCBAMIVEVDSCA-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)[C@@]3(C)C[C@H]4C=C[C@H]3C4)c2)c1C 112249359 FXGJSWKMGJGWIV-KHOMTPLRSA-N 420.557 5.093 0 40 HKAB CCCC[Sn](CCCC)(CCCC)c1ccc2c(c1)CCO2 169811529 JNVDHTDXUJFBEJ-UHFFFAOYSA-N 409.202 5.678 0 40 HKAB COc1ccc(S[C@@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1OC 216485909 LHUAXNFXJVMHJS-UUOWRZLLSA-N 421.562 5.399 0 40 HKAB CC(C)c1ccc(CCCNC(=O)COc2ccc(Cl)cc2Br)cc1 218858933 IUEHYDVAMXMOML-UHFFFAOYSA-N 424.766 5.354 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccc(OC(C)C)cc1 222933191 BQVTYBGTLJYPLT-DEOSSOPVSA-N 411.586 5.678 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 222938463 MGJAASJFHFLMBO-YADHBBJMSA-N 409.570 5.869 0 40 HKAB CC[C@@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 223108872 PAYIMTGQFNTHCP-QVKFZJNVSA-N 416.359 5.363 0 40 HKAB CC(C)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 223749540 PWBRZXZYBVXKSL-OAQYLSRUSA-N 420.597 5.219 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccc(C)cc1 224464485 UBQZEINYAASGDR-UHFFFAOYSA-N 409.913 5.556 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1Cl 224869636 YQRXUAGEHFIGOQ-UHFFFAOYSA-N 400.906 5.054 0 40 HKAB CC1(C)C[C@H](NC(=S)Nc2ccc(Br)cc2F)c2ccccc2O1 225577575 SPQMCMRKOHVZBZ-HNNXBMFYSA-N 409.324 5.177 0 40 HKAB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1SCc1ccc(Cl)cc1 225589621 UEOVWQJQBHTUNI-UHFFFAOYSA-N 408.932 5.038 0 40 HKAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(Br)cc2)cc1OCC 225749507 GFYYGCZODVHCJR-CYBMUJFWSA-N 423.376 5.294 0 40 HKAB O=C(NCc1ccc(-n2ccnc2)cc1)c1cccc(OCc2ccccc2Cl)c1 225778224 PATXTVSVMHASGQ-UHFFFAOYSA-N 417.896 5.035 0 40 HKAB Cc1cc(Br)cc(C)c1NC(=O)c1cc(N)ccc1N1CCCC[C@H]1C 226324375 IBFBMBFNPFHLOU-OAHLLOKOSA-N 416.363 5.279 0 40 HKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260814617 LKZSARKEWIKOOG-PXDATVDWSA-N 418.622 5.644 0 40 HKAB COc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3C)n2)cc1 408694508 JUGBEECJFPOPLN-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(C)c3)n2)cc1 408694990 NMKATYRTJINTEE-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB O=C(c1ccc(Cl)c(F)c1)N1CCC[C@@]2(CCCN2Cc2ccc(F)cc2)CC1 585100430 WSVHWELGLWQAAV-HSZRJFAPSA-N 418.915 5.279 0 40 HKAB Cc1cc(OCCCc2nc(-c3ccccc3)sc2C(=O)O)cc(C)c1Cl 585266839 RRRIRFPZVHMXBT-UHFFFAOYSA-N 401.915 5.790 0 40 HKAB Cc1ccc([C@@H](Sc2ccccc2)[C@H](Cn2cncn2)C(=O)c2ccccc2)cc1 630086 WDHFAGNQZSUSBQ-ILBGXUMGSA-N 413.546 5.619 0 40 HKAB Nc1c(C(=O)Nc2ccccc2C(F)(F)F)sc2nc3c(cc12)CCCCC3 663521 YFAVWYWYEHLJML-UHFFFAOYSA-N 405.445 5.419 0 40 HKAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c1 668759 SPUVKXWSUFVBIM-UHFFFAOYSA-N 406.894 6.072 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccccc1Br 723734 IERWYNAYAWCENL-UHFFFAOYSA-N 411.230 5.649 0 40 HKAB S=C(Nc1ccccc1)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1 886876 HUJNAXQVFZTBDR-UHFFFAOYSA-N 403.334 6.381 0 40 HKAB Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)Nc1ccc(C(N)=O)cc1 998876 RYAJFUWTSVKMNZ-UHFFFAOYSA-N 415.880 5.215 0 40 HKAB Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(NCc2ccccc2)n1 1176487 OGSNMDXCOPZZJE-UHFFFAOYSA-N 406.536 5.439 0 40 HKAB aggregator COc1ccc2nc(Cl)c([C@H]3CC(c4ccc(Cl)cc4)=NN3C(C)=O)cc2c1 1302189 CRNYXWWQTUWUOJ-HXUWFJFHSA-N 414.292 5.248 0 40 HKAB O=C(c1cccc(F)c1)N1CCc2cc(-c3csc(Nc4ccccc4)n3)ccc21 1354487 BUSOYJHQUUUXEM-UHFFFAOYSA-N 415.493 5.896 0 40 HKAB COc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1 1362698 RWXNESZONDYXHK-LJQANCHMSA-N 419.525 5.063 0 40 HKAB O=C(NCc1ccc(Cl)cc1)[C@H]1CCC(=O)N(C2CCCCC2)[C@H]1c1ccccc1 1394538 XCHHNSJUGPUFLF-UPVQGACJSA-N 424.972 5.269 0 40 HKAB CCOc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)OCC4CCCCC4)c3C)C2)cc1 1422035 VUAKSLNDISVBGE-LJQANCHMSA-N 409.526 5.372 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc(F)cc1 1509521 ZPNDHJDLGBOJIB-UHFFFAOYSA-N 402.450 5.433 0 40 HKAB COc1cccc([C@H]2c3cc4c(cc3O[C@H](Nc3ccccc3)[C@@H]2C)OCO4)c1OC 1642696 GBOIKVXJSZURGV-JQRIVJTKSA-N 419.477 5.031 0 40 HKAB Brc1ccc2oc(-c3ccccc3)c/c(=N\CCc3ccccc3)c2c1 1791875 YLSCGCVHUZVCKS-NJNXFGOHSA-N 404.307 6.006 0 40 HKAB CCc1ccccc1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 2365201 LBWVXFYVCLYTLG-UHFFFAOYSA-N 404.897 5.358 0 40 HKAB CCCCCCOC(=O)c1c(N)n(-c2ccc(CC)cc2)c2nc3ccccc3nc12 2369415 MLLZLGICJCRBDW-UHFFFAOYSA-N 416.525 5.455 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccn2)c2ccccc2)c1C 2546354 UUSXKZKXEALSOB-QHCPKHFHSA-N 413.546 6.214 0 40 HKAB Cc1cc(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)nc2ccccc12 2663154 WDOUXIIWAXYKBC-UHFFFAOYSA-N 415.543 5.801 0 40 HKAB CC(C)Cn1c(-c2ccc(COc3ccc(Br)cc3)o2)n[nH]c1=S 2791814 XUEKKPUZWWNHOA-UHFFFAOYSA-N 408.321 5.198 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccc3ccccc3c2)cs1 3183509 JGIJZXSOQXZLQC-UHFFFAOYSA-N 414.317 6.914 0 40 HKAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N[C@H]1CCCc2ccccc21 3360860 GMLAINUSSXACNY-ICSRJNTNSA-N 424.894 5.989 0 40 HKAB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)/C=C/c3cccc(F)c3)n2)cc1 3390571 CLKYEKJQBWNLJG-RZXPCSSPSA-N 424.497 5.095 0 40 HKAB COc1ccc2ccccc2c1C1N(c2ccc(C)cc2)CCN1c1ccc(C)cc1 4498674 UXMDNALMRPMNLQ-UHFFFAOYSA-N 408.545 6.491 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3C=C(C(=O)O)[C@@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 5029295 YGECWQPTUZSNGW-OPTOXENHSA-N 418.618 6.403 0 40 HKAB CCC[C@@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@]1(O)c1ccc(F)cc1 5093681 FWIMWRAGFVUMJK-YNOCBOJOSA-N 403.541 6.152 0 40 HKAB Cc1ccc(Nc2nnc(S[C@H](C(=O)N3CCCC3)c3ccccc3)s2)cc1 5277962 JMRBCYKFPJETNA-SFHVURJKSA-N 410.568 5.046 0 40 HKAB O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1ccc2ccccc2n1 5847995 QLSTUTCJDLZUCB-VWLOTQADSA-N 415.420 5.339 0 40 HKAB Fc1ccccc1-c1nnc(SCc2cccc(Cl)c2)n1Cc1ccccc1 6078748 VYSKIOXMATZHNU-UHFFFAOYSA-N 409.917 6.078 0 40 HKAB COc1cc(C)c(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1OC 6259193 QIRXAYTXPZSDEJ-UHFFFAOYSA-N 413.477 5.117 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(C(C)C)cc4)cs3)C(=O)[C@@H]21 6390511 MOPVZCFMGRPAIT-JWWGGVBKSA-N 406.551 5.415 0 40 HKAB Cc1ccc(-c2ccc([C@@H]3N=C(O)c4c(sc5c4CC[C@H](C)C5)N3)o2)cc1Cl 6449855 OWTFUNOLIXMXBY-PRWKNARSSA-N 412.942 6.524 0 40 HKAB CSc1ccc(-c2cc(OC(=O)c3ccccc3)c3c(C)oc(C)c3c(=O)c2)cc1 6624188 LEMZFEXWOBGGKV-UHFFFAOYSA-N 416.498 6.018 0 40 HKAB biogenic C=CCc1cc(/C=C2/SC(=O)N(CCC)C2=O)cc(OC)c1OCc1ccccc1 6655522 VCZNLMDFPZZIRS-RCCKNPSSSA-N 423.534 5.449 0 40 HKAB Cc1cc2oc(C(=O)N(Cc3ccco3)Cc3ccccc3Cl)c(C)c2cc1C 6810697 VFIQOLBPSJORAJ-UHFFFAOYSA-N 407.897 6.447 0 40 HKAB aggregator COc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3Cl)n2)cc1OC 6967126 RRSIXAMHTXYYBR-UHFFFAOYSA-N 409.294 5.386 0 40 HKAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O 7929345 LSCUXSNVEMFRTL-HSZRJFAPSA-N 413.517 5.437 0 40 HKAB Cc1noc(C)c1COc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)cc1 8193709 ZFNACGXKTDZNCF-JOCHJYFZSA-N 410.901 5.405 0 40 HKAB CCOc1cc(CNCC(C)C)cc(Br)c1OCc1ccccc1F 8254133 LTJKVNYLLQWJNI-UHFFFAOYSA-N 410.327 5.312 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)n1cnc2sc(-c3ccccc3)cc2c1=O 8717829 JCBAWMWVUKYFLU-CQSZACIVSA-N 423.925 5.287 0 40 HKAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)c1ccc(COc2ccccc2)cc1 8724246 RZADSIMYTCFTLH-UHFFFAOYSA-N 424.500 5.130 0 40 HKAB CCc1ccc([C@@H](CC(=O)c2ccc3c(c2)OCO3)Nc2ccc(Cl)cc2)cc1 8783324 ZAEJMEASFPTBLM-OAQYLSRUSA-N 407.897 6.057 0 40 HKAB biogenic,in-vitro O=C(Nc1ccccc1)Nc1nnc(COc2ccc(C3CCCCC3)cc2)s1 9164896 RTQWXTWWNFDFAZ-UHFFFAOYSA-N 408.527 5.809 0 40 HKAB Cc1nc(COc2ccc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cc2)cs1 9495467 JVTYKEGGLBFNIA-UHFFFAOYSA-N 422.506 5.324 0 40 HKAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N[C@H](C)c1ccc(F)cc1 9647135 OPZWCDIIHZKXNX-VXGBXAGGSA-N 423.435 5.146 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)cc(=O)c3c2)c1 9660190 BZBRPFFXNKHBMH-UHFFFAOYSA-N 415.445 5.038 0 40 HKAB biogenic Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1NS(=O)(=O)c1ccccc1 10314392 GKRJDXGYMSUJMM-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB CCc1ccc2nc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)sc2c1 10381571 NFIQFCRLZFCCKW-VQHVLOKHSA-N 422.579 5.253 0 40 HKAB O=C(CSc1ccc(-c2ccc(Br)cc2)nn1)c1ccc(F)cc1 10453285 ALCOMSXELMXUIC-UHFFFAOYSA-N 403.276 5.020 0 40 HKAB COc1ccc([C@@H]2OC[C@@]3(COC(=O)Nc4ccccc4)[C@H](C)C=C(C)[C@@H]2[C@H]3C)cc1 12655502 OGCHLIHOPGTPPY-PKUXDDJKSA-N 421.537 5.850 0 40 HKAB C[C@H](OC(=O)/C=C/c1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1Cl 13145456 NQASFGXOMJUKTP-FBOQAHMBSA-N 421.305 5.187 0 40 HKAB CCN(CC)C(=O)C(=O)c1cn(CCOc2ccc(C(C)(C)C)cc2)c2ccccc12 14136058 WMMYUUGOMQOBLJ-UHFFFAOYSA-N 420.553 5.069 0 40 HKAB COc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(Cl)cc4)oc3c2)cc1 15729378 JIGYSNSZIVNIKS-UHFFFAOYSA-N 419.864 5.887 0 40 HKAB biogenic Cc1c(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)oc2ccc(Br)cc12 15833229 VQIKAOAMSPKEEJ-SECBINFHSA-N 405.317 5.337 0 40 HKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1 15947624 JBIPRTMVXJKSAM-BUXKBTBVSA-N 424.547 5.583 0 40 HKAB COc1cc2c(cc1NC(=O)c1ccccc1OC[C@H]1CCCO1)oc1ccccc12 16470034 YIQAEGWLUXHDDF-MRXNPFEDSA-N 417.461 5.405 0 40 HKAB O=C(NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccccc1 16476693 GJELUKRGHGGCAG-UHFFFAOYSA-N 423.950 5.744 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(SCC(C)C)ncnc32)cc1Cl 16758055 UVBCCVZGMUBQES-UHFFFAOYSA-N 407.970 6.797 0 40 HKAB CC(=O)c1ccc(O[C@@H](NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)cc1 19925254 AHGFUJAKYYRZAA-MRXNPFEDSA-N 421.107 5.048 0 40 HKAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 20139868 PULPOSFYFGXBBC-UHFFFAOYSA-N 406.221 5.213 0 40 HKAB Cc1ccc(CSCCNC(=O)CSCc2ccccc2Br)cc1 20238163 BEZQPSBDCBQVRT-UHFFFAOYSA-N 424.429 5.040 0 40 HKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc2c(F)cccc2s1 24734116 XALJASQRVFOBQM-UHFFFAOYSA-N 411.285 5.058 0 40 HKAB CC(C)c1noc([C@@H](C)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)n1 27777753 UDKAFTVIRHJWQE-CYBMUJFWSA-N 404.308 5.409 0 40 HKAB O=C(CCc1nc(-c2cccs2)no1)Nc1cc(Cl)ccc1N1CCCCC1 32768431 VSSBNWNNFXVATL-UHFFFAOYSA-N 416.934 5.013 0 40 HKAB Cc1ccc(NC(=O)c2ccc3ccccc3c2)cc1NS(=O)(=O)c1ccccc1 32930131 YIEZWLBMVCHYRO-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB O=C(c1cccnc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 35615850 YEBYDFYNFIKGJO-UHFFFAOYSA-N 415.496 5.349 0 40 HKAB Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccc(F)cc1F 40114667 NAYHHJOSTMVFOA-UHFFFAOYSA-N 424.831 5.632 0 40 HKAB C[C@@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccccc3)oc12)N1CCCCC1 41156082 GTENRUOPDBFEEV-SFHVURJKSA-N 413.525 5.238 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)O[C@H](c1ccccc1)[C@H](C)c1ccccc1 43760062 YPMQXOFDCXSPCT-NMSOHLOSSA-N 408.582 6.552 0 40 HKAB COc1cc(CN(C)[C@@H](C)c2nc3ccccc3s2)c(OC)cc1Br 57373725 COOUGXMONRWCQQ-LBPRGKRZSA-N 421.360 5.269 0 40 HKAB COc1ccc(OC)c(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)c1 67245123 IPVHTFVINLZGOI-UHFFFAOYSA-N 418.518 5.784 0 40 HKAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 72002145 QFRNWHYKYMDSJO-HNNXBMFYSA-N 422.504 5.272 0 40 HKAB COc1ccccc1Cc1cccc([C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)n1 72358266 PDQCJGPDTGOLSD-DEOSSOPVSA-N 418.512 5.116 0 40 HKAB O=C1N=C(Nc2cc(Cl)cc(Cl)c2)/C(=C/c2cc3ccccc3[nH]c2=O)S1 72401667 YCXZOXSGHUXAMT-SOFYXZRVSA-N 416.289 5.553 0 40 HKAB Cc1nc(COc2ccc(CN[C@@H](CC(C)C)c3nc4ccccc4[nH]3)cc2)cs1 78869822 LNWJIVKZQIPCCA-QHCPKHFHSA-N 420.582 5.784 0 40 HKAB O=[S@@]1CC[C@H](Nc2nc(-c3cccs3)nc3scc(-c4ccccc4)c23)C1 78967899 DFMKRJUPISCLJX-PWFNWSNSSA-N 411.577 5.020 0 40 HKAB Brc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1[C@H](c1cccs1)O2 105917022 WSHXDXKCIIUSOX-KSSFIOAISA-N 401.285 5.346 0 40 HKAB Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 106982294 YOBKSQKEPDYDAJ-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Fc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1Cl 107039669 CSJAIFXHZCKAFH-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118912605 JQMQKOQOLPGBBE-PKZREHDUSA-N 402.663 6.648 0 40 HKAB COc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)c(Cl)c1Cl 216322016 HDGCXRGXZGOCIO-CQSZACIVSA-N 402.343 5.068 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCCSc2ccc(Cl)cc2)CC1 222686724 YVFNPGRHYIFOFH-UHFFFAOYSA-N 423.409 5.523 0 40 HKAB O=C(NCc1cccc2ccccc12)c1cccc(OCc2ccccc2Cl)c1 222879916 HNMFEDKTDDNQNU-UHFFFAOYSA-N 401.893 6.002 0 40 HKAB CCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccc1Cl)c1ccccc1 223338912 LSDNRUTZNGZFIS-DEOSSOPVSA-N 420.940 5.136 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1CSc1ccc(C)cc1 224661007 OREJDOVCHONVBI-UHFFFAOYSA-N 405.563 6.555 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 224894222 IWNOFVIQKIPKBF-UHFFFAOYSA-N 408.379 6.280 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)NCCSCc2c(F)cccc2Cl)c1 225398570 BAAZRXYXAKPCDH-UHFFFAOYSA-N 409.954 5.339 0 40 HKAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225739364 KAMVYTHOCWZQRY-HYBUGGRVSA-N 404.595 5.111 0 40 HKAB COc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C(F)(F)F 225776994 XSWXULWPKPYKJQ-UHFFFAOYSA-N 413.823 5.054 0 40 HKAB O=C(COc1cccc(C(F)(F)F)c1)Nc1cc(Cl)ccc1Oc1ccccc1 225811359 QRYNQSAMIAVXFF-UHFFFAOYSA-N 421.802 6.169 0 40 HKAB CCC(C(=O)Nc1ccc(OC2CSC2)cc1)(c1ccccc1)c1ccccc1 225935387 QLCPBEBGMHICOI-UHFFFAOYSA-N 403.547 5.516 0 40 HKAB Cc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccc(Br)cc2F)o1 226756403 SJNPRXJJVFZCLS-UHFFFAOYSA-N 423.669 5.645 0 40 HKAB COc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2ccccc2Cl)o1 227147532 MTZPFJGWUITMSH-UHFFFAOYSA-N 421.678 5.206 0 40 HKAB COc1ccc(CN2CC[C@H](C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1 245227208 GACVFXYUDRVNOK-LOSJGSFVSA-N 419.496 5.289 0 40 HKAB CC[C@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408662137 MQVHYSNNEMHWQK-KBPBESRZSA-N 406.309 5.465 0 40 HKAB CCc1cccc(CC)c1NC(=O)C(=O)c1c(-c2ccc(C)cc2)cc2ccccn12 408674746 BYWOEACHHCZDPF-UHFFFAOYSA-N 410.517 5.861 0 40 HKAB COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)cc1 408695317 PWLTVRKBMDAPCQ-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccccc2)c1 408699979 XZPTYYKZCWQZRT-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CC(C)(C)[C@H](N[S@](=O)C(C)(C)C)c1ccccc1P(C(C)(C)C)C(C)(C)C 1857795131 OANYQSHMGOEADJ-XHCCPWGMSA-N 411.636 6.530 0 40 HKAB CCc1ccccc1NC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 677198 KISQMJWPJIPKRO-UHFFFAOYSA-N 410.399 5.230 0 40 HKAB COc1ccc(CC(=O)Nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)cc1 1017202 MYEKVTRHFKGEQQ-UHFFFAOYSA-N 422.912 5.399 0 40 HKAB Cc1cc(C)c(C)c(C(=O)CSc2nnc(-c3ccc4[nH]c(C)c(C)c4c3)o2)c1C 1223296 PSAFXAOKQQUSFW-UHFFFAOYSA-N 419.550 6.043 0 40 HKAB aggregator Nc1c(C(=O)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 2187511 ZRRONMIBMQJRJF-UHFFFAOYSA-N 406.510 6.444 0 40 HKAB CCOc1cc(-c2n[nH]c(=S)n2CCc2ccccc2)cc(OCC)c1OCC 2221201 KWCBZALJGIRASY-UHFFFAOYSA-N 413.543 5.046 0 40 HKAB O=C(NCCc1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 2284322 IFDVUUIJCJJBGN-UHFFFAOYSA-N 414.288 5.185 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2CC)cc1 2362726 YJGXMDBVTJJIIJ-OAHLLOKOSA-N 412.534 5.348 0 40 HKAB CC[C@@](C)(CCNC(=O)C[C@@H](c1ccc(OC(C)C)cc1)C(C)C)c1ccccc1 2370740 GZOKPKAHBBDHGC-VPUSJEBWSA-N 409.614 6.478 0 40 HKAB CC(=O)CCCSc1nnc2c3c4c(sc3nc(SC(C)C)n12)CCCC4 2372787 GQSSUPDYUOXHJO-UHFFFAOYSA-N 420.629 5.180 0 40 HKAB CCCCc1ccc(NC2=NC(=O)[C@@H](Cc3cc(Cl)ccc3Cl)S2)cc1 2669292 SBJHQZMLENGLBQ-GOSISDBHSA-N 407.366 5.989 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCc3ccccc3)c2C(=O)OC)C1 2745283 UVSRDLFRZZCARW-KRWDZBQOSA-N 413.583 5.647 0 40 HKAB O=C(CSc1cccc2cccc(Cl)c12)OCC(=O)c1cc2ccccc2o1 3226417 XOMUXZKQTRTAMX-UHFFFAOYSA-N 410.878 5.758 0 40 HKAB COc1ccc(C)cc1Nc1nnc(SCC(=O)c2ccc(Cl)s2)s1 3266360 HYKIRKQHULFLRQ-UHFFFAOYSA-N 411.961 5.289 0 40 HKAB CN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)Cc1ccc(C(C)(C)C)cc1 3433146 OWNLSQGHVJGQCZ-UHFFFAOYSA-N 416.565 5.634 0 40 HKAB CCCCCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 3658740 OYBCBEZSEASDEF-UHFFFAOYSA-N 403.551 6.378 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1)c1ccc(F)cc1 3666353 YBAQXTSTFJSFIH-UHFFFAOYSA-N 409.766 6.543 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](/C=C/c1ccccc1)C(=O)c1ccccc1 3846290 SQYUSQQNCYCPRO-AYFBCLGWSA-N 404.550 6.203 0 40 HKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 4690198 WRGOOLYXKUDTFC-UHFFFAOYSA-N 420.940 6.693 0 40 HKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)CC12CC3CC(CC(C3)C1)C2 4698635 NOOXWEZXTIVTPB-UHFFFAOYSA-N 401.510 5.743 0 40 HKAB Cc1coc2cc3oc(=O)c(CCC(=O)NCc4cccc(Cl)c4)c(C)c3cc12 4743726 VBVQHQCVVYHHGJ-UHFFFAOYSA-N 409.869 5.058 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc2ccccc2c1 4838590 FMFRUISUCWGFPO-UHFFFAOYSA-N 414.464 7.054 0 40 HKAB CCc1cc2ccc(C)c(C)c2nc1SCC(=O)Nc1ccc(OC)cc1OC 4849412 AMDUUDUKWSXTBL-UHFFFAOYSA-N 410.539 5.162 0 40 HKAB Clc1ccc(/C=C/c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1 5023470 YYPBSDXOPKDBQI-KPKJPENVSA-N 413.735 7.215 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3C[C@H](C(=O)O)[C@@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 5029308 ZXBHRPYRWXWPFH-OKORVEHKSA-N 420.634 6.483 0 40 HKAB COc1ccc(CN(C)[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c(OC)c1 5262071 LOENTSDYRCTRSL-VWLOTQADSA-N 418.537 5.132 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CC[C@@H](C(C)(C)C)C2 5474316 YTUBZWJLQDYSPG-CQSZACIVSA-N 419.974 5.982 0 40 HKAB CC(C)CC[C@H](CCN[C@H](C)c1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 5499232 OWFDAHUBFQIBJD-NFBKMPQASA-N 402.022 7.388 0 40 HKAB CCn1c2ccccc2c2ccc(/C=C/[C@@]34NC(=O)CN3c3ccccc3C4(C)C)cc21 5657603 LJQIGGYRTKWYAN-VFAHUECZSA-N 421.544 5.452 0 40 HKAB Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NC3CCCCC3)n2)cc1 6032617 YQJWFGRHNPFOAU-UHFFFAOYSA-N 409.477 5.012 0 40 HKAB CCc1ccccc1NC(=O)c1cc(Br)cc(Br)c1OC 6359365 FWYKBVSLYHLPMN-UHFFFAOYSA-N 413.109 5.035 0 40 HKAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(-c2cn3ccsc3n2)cc1 6554005 RTFKNLFKAYQHPV-UHFFFAOYSA-N 401.413 5.263 0 40 HKAB COc1ccccc1CN(Cc1cccs1)C(=O)/C=C/c1ccc(OC)c(OC)c1 6589747 LMZSKUHHQDNNIB-ACCUITESSA-N 423.534 5.016 0 40 HKAB CCCCOC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(C(C)C)cc3)sc2c1 8903234 ADAAYEGJYYZJSP-MDWZMJQESA-N 422.550 6.029 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)c1 9365799 UTVWSUJSQGVSQV-IBGZPJMESA-N 420.563 5.622 0 40 HKAB Brc1cc2c(c(CSc3nncs3)c1)O[C@@H](c1ccccc1)OC2 9589280 DDYNPIJRONWAGE-INIZCTEOSA-N 421.341 5.201 0 40 HKAB CCN(C(=O)Nc1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)cs1 9607031 RHEANWBWRQYMMC-UHFFFAOYSA-N 420.307 5.770 0 40 HKAB CC1(C)CN=C(N(C(=O)Nc2ccc(F)cc2)c2cccc(C(F)(F)F)c2)S1 12402435 AGBJNEUSNYLGNX-UHFFFAOYSA-N 411.424 5.764 0 40 HKAB CCCOc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c(OCCC)c1 12600156 UKRPUYHMTKWEBY-AREMUKBSSA-N 413.521 6.253 0 40 HKAB Cn1c(C[C@@H](NC(=O)c2ccccc2C(F)(F)F)c2ccccc2)nc2ccccc21 12628143 WXMYGSOYVLPYFZ-HXUWFJFHSA-N 423.438 5.306 0 40 HKAB CCCCn1c(-c2cccc(OC)c2)cn2c(-c3ccccc3)c(-c3ccccc3)nc12 13788441 BGDRSTCFDDAUDA-UHFFFAOYSA-N 421.544 6.946 0 40 HKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(Cl)cc1Cl 16385076 FFYSWXYWMMGHIX-UHFFFAOYSA-N 417.136 6.675 0 40 HKAB Clc1ccc(COc2cccc(CNCc3ccccc3Cl)c2)c(Cl)c1 16449764 JOWSLDRPMRWUHX-UHFFFAOYSA-N 406.740 6.516 0 40 HKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(F)cc1 16788857 HFQWUGHCHXFLLG-UHFFFAOYSA-N 423.900 5.702 0 40 HKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1cccc2c(Cl)cccc12 17090164 BJJSFEUGMXNVQV-UHFFFAOYSA-N 414.917 7.022 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20144769 PJNPPNYYTZUNRZ-UHFFFAOYSA-N 420.292 5.542 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1OCC 20453384 BINSNWYRCHXREE-QVKFZJNVSA-N 421.990 5.886 0 40 HKAB Cc1ccc(-c2nc(Nc3nc(C)c4cc(C)cc(C)c4n3)nc3c2CCCC3)cc1 20798178 QWAJUDVOLFBWSJ-UHFFFAOYSA-N 409.537 5.943 0 40 HKAB CC[C@H](NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccc(OC)cc1 22532814 YDNLTCFQZVLYQO-DEOSSOPVSA-N 400.522 5.139 0 40 HKAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cccc(Oc2ccccc2)c1 27921945 JXWHDXASBPRAQL-UHFFFAOYSA-N 415.468 5.732 0 40 HKAB COc1ccc(-c2nc(-c3cccc(NC(=O)c4sccc4C)c3)no2)cc1OC 28304113 ZLHPEIRAUZMBHY-UHFFFAOYSA-N 421.478 5.043 0 40 HKAB O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cccc(F)c1 32115011 MCSAQOGJRQZCHK-UHFFFAOYSA-N 402.759 5.818 0 40 HKAB C[C@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)Nc1ccc(Cl)cn1 32868666 OFPCAEVPLCEUDX-LBPRGKRZSA-N 410.886 5.058 0 40 HKAB Cc1c(Cl)cccc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38849630 FUVBADKJJNSYQZ-UHFFFAOYSA-N 411.760 5.806 0 40 HKAB Cc1c(C(=O)Nc2ccccc2)nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn12 40385016 HAMWXYUEJGKRTB-UHFFFAOYSA-N 405.889 5.129 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(-c2ccc(Br)cc2)o1 57317020 OVXWINMXLZPWIE-KGVSQERTSA-N 416.702 5.692 0 40 HKAB C[C@]12Cc3cnc(-c4ccccc4)nc3C[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(C)O 57678741 PHBHRCDYKYBQFC-CQCGCBFOSA-N 416.609 5.852 0 40 HKAB in-vitro Cc1nn(CN(C2CC2)[C@@H]2CCCc3ccccc32)c(=S)n1Cc1ccccc1 58438102 WVNPOQJTHSIHSC-HSZRJFAPSA-N 404.583 5.270 0 40 HKAB COc1ccc(N2C(=O)CC[C@H](Sc3ccc(C)cc3)[C@H]2c2ccccc2)cc1 65090570 CGRQLGWTWPXMCZ-UKILVPOCSA-N 403.547 6.033 0 40 HKAB O=C(c1cnc2ccc(F)cc2c1N1CCC(Cc2ccccc2)CC1)N1CCCC1 67287950 HJMSSJRXFVMPTI-UHFFFAOYSA-N 417.528 5.069 0 40 HKAB O=c1c2sccc2nc(SCc2c(F)cccc2Cl)n1Cc1ccco1 67323727 NYOLZDOBGBJICM-UHFFFAOYSA-N 406.891 5.184 0 40 HKAB CC(=O)Nc1ccc(CN2CCC[C@@H]2c2cccc(Cc3ccccc3Cl)n2)cc1 72358116 JCBMFZFGBPVNII-RUZDIDTESA-N 419.956 5.621 0 40 HKAB CCc1c(C)noc1-c1snnc1C1CCN(CC[C@H](C)c2ccc(C)o2)CC1 72392670 CLMXOLKKXXTRIJ-AWEZNQCLSA-N 414.575 5.339 0 40 HKAB Clc1ccc(Cc2nc(CN(Cc3cccnc3)Cc3ccco3)cs2)cc1 95459778 VZSFVGGULNVTTD-UHFFFAOYSA-N 409.942 5.578 0 40 HKAB CCc1ccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C(=O)N(C)C)cc1 96037370 UZERCXMEDPEEMS-UHFFFAOYSA-N 416.525 5.521 0 40 HKAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccc(OCc2ccccc2)c1 107824502 TVUWXMZCMOWROF-UHFFFAOYSA-N 406.913 5.772 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@@H](C)CC 214157809 LCGODCCAUWFDEP-YIRPMMGJSA-N 411.523 5.499 0 40 HKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C)c(C)c3)c2)c(OC)c1 224291642 ZPYZPQQQNPAOJT-UHFFFAOYSA-N 421.493 5.161 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1cc(C)cc(C)c1C 224608605 ITJDDVIIIMOPJT-UHFFFAOYSA-N 417.549 6.404 0 40 HKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225004643 RJNYYTZORSVEFL-SFTDATJTSA-N 408.586 5.075 0 40 HKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C 225098549 PPGUMRCFHAATMC-VWLOTQADSA-N 420.597 5.102 0 40 HKAB COC(=O)c1cc(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)ccc1Cl 225499801 VXJQYUYWYJWGMJ-LJQANCHMSA-N 420.962 5.209 0 40 HKAB CO[C@H](CNC(=O)c1c(-c2ccccc2Cl)noc1C)c1ccc(Cl)s1 225703518 NHBZGNBBNJKZSQ-CYBMUJFWSA-N 411.310 5.136 0 40 HKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225846165 VVHGDKOCUMYBSW-UZUQRXQVSA-N 407.551 5.355 0 40 HKAB CCc1ccc2oc(-c3cc(Br)c[n+](Cc4ccccc4F)c3)nc2c1 226308070 HPDSWRLRGPTOFD-UHFFFAOYSA-N 412.282 5.295 0 40 HKAB Cc1scc(C(=O)N2CCCC[C@@H]2c2nnc(-c3nccc4ccccc34)o2)c1C 257262827 LNBSMZTWBWYZRQ-LJQANCHMSA-N 418.522 5.331 0 40 HKAB Cc1ccc(COc2ccc(CNc3ccc(Br)c(Cl)c3)cc2)cc1 408558193 SDSZSQOPSSZDCR-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Fc1ccc(COc2ccc(C(=S)N3CCN(c4ccc(F)cc4)CC3)cc2)cc1 408574237 LDTKMGNWEUFRAO-UHFFFAOYSA-N 424.516 5.042 0 40 HKAB CCOc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1Cl 408585062 BMDPLFORNCZSFT-UHFFFAOYSA-N 415.942 5.130 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccccc2C)cc1 408699938 XNBFKCZQVNWKNO-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 409034583 HZARRMXMYRJWHQ-JCMHNJIXSA-N 418.493 5.009 0 40 HKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)cc1C 409117505 OYSQMFCFKPCHMN-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB CC(=O)Oc1ccc(C(=O)COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 409181218 ZICDKQNMJAXGPI-UHFFFAOYSA-N 410.510 5.247 0 40 HKAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCCOc1ccc(Cl)cc1 409202555 UKDVFFTUPBDBFJ-UHFFFAOYSA-N 419.974 5.358 0 40 HKAB CC(C)(C)c1ccc(CN2C(=O)N(c3ccccc3)S(=O)(=O)c3ccccc32)cc1 575616647 VTVYQPIJGQWLFO-UHFFFAOYSA-N 420.534 5.320 0 40 HKAB CC(C)Oc1cccc(-c2ccc3c(c2)CNCCCCCCCN3C(=O)C(C)C)c1 2037931547 GBULTPLSNYHBDN-UHFFFAOYSA-N 422.613 6.184 0 40 HKAB O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1cc(Cl)cc(Cl)c1 850099 ADSHMYXNUOUYMU-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1C 919561 WSDYZVPIEUZRLV-YOEHRIQHSA-N 404.392 5.006 0 40 HKAB Cc1ccc(-c2cc(N)n(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1 1415875 OOSKDJCSCKUBNR-UHFFFAOYSA-N 411.328 5.316 0 40 HKAB Nc1c(Br)c(Cl)c(Br)c2c1-c1ccc(Cl)cc1C2 1609894 RETBRXKWDWAXBJ-UHFFFAOYSA-N 407.920 5.672 0 40 HKAB O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cc(Cl)ccc1Cl 2055624 OXRDUFDABGPNQE-UHFFFAOYSA-N 417.679 6.707 0 40 HKAB Cn1c2ccccc2c2cc(/C=C/[C@]34NC(=O)CCN3c3ccccc3C4(C)C)ccc21 2097623 SLJVMWRNYMHJGP-NOBNOQAISA-N 421.544 5.359 0 40 HKAB biogenic CCc1ccc2nc(Nc3ncc4c(n3)C[C@H](c3ccc(C)cc3)CC4=O)nc(C)c2c1 2244734 SOLCKIBEFSXISX-IBGZPJMESA-N 423.520 5.255 0 40 HKAB COc1ccc(NP(=O)(Oc2cccc(C)c2)Oc2cccc(C)c2)cc1Cl 2291624 DDNWOJALDXVATF-UHFFFAOYSA-N 417.829 6.643 0 40 HKAB CCOc1ccc2c(-c3ccccc3)c(-c3ccc(Br)cc3)c(=O)oc2c1 2581728 YRFBHPKDWZWUOX-UHFFFAOYSA-N 421.290 6.288 0 40 HKAB biogenic Cc1ccc2nc(NC(=O)CSc3nccn3-c3cccc(Cl)c3)sc2c1 2723671 DQYHQZCLWUBNKI-UHFFFAOYSA-N 414.943 5.175 0 40 HKAB CC(C)c1ccc(Nc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3s2)cc1 3330635 VKJWQPJFJHAJCI-UHFFFAOYSA-N 415.584 5.338 0 40 HKAB O=C(Nc1nc(COc2ccccc2)cs1)c1ccccc1Cc1ccccc1 3358597 LGGWYJKGPGUYAL-UHFFFAOYSA-N 400.503 5.565 0 40 HKAB CC[C@@H](C)Sc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 4079427 VDUZNPMMWKRZDB-SSDOTTSWSA-N 406.758 5.097 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc4ccccc4c2)N3)C1 4553665 XNPBHYAYWDRBEJ-XMSQKQJNSA-N 404.579 6.871 0 40 HKAB O=C1N(c2cccc3ccccc23)[C@H](c2ccc(Br)cc2)C12CCCC2 4615821 MNJVYFREFOVATA-OAQYLSRUSA-N 406.323 6.251 0 40 HKAB CC1(C)C[C@@H]2C[C@@](C)(CN2c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)C1 4757702 QKCZBQGNBAWCDZ-FOIQADDNSA-N 409.883 6.221 0 40 HKAB Brc1cccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)c1 4794016 LLVXBURJKCFBMH-UHFFFAOYSA-N 422.282 5.279 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl 4836009 ITFDQXPTNQCFIK-UHFFFAOYSA-N 415.986 5.917 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccccc1 4851857 VYXWYBANLZJSDE-UHFFFAOYSA-N 418.522 5.183 0 40 HKAB CCOc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)OC4CCC(C)CC4)c3C)C2)cc1 4912275 YREPTPMTHWRYDB-RVSXGSNBSA-N 409.526 5.370 0 40 HKAB Cc1ccccc1C(=O)Nc1c(-c2cccc3ccccc23)c(=O)c2ccccc2n1C 5321491 MLPWDFMRIHKAJU-UHFFFAOYSA-N 418.496 5.919 0 40 HKAB CCc1cc([C@@H](c2ccc(F)cc2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 5677863 OJYZXJNNLNKVIL-HSZRJFAPSA-N 422.569 6.277 0 40 HKAB CCn1c(S[C@@H](C)C(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 5937388 SRLMVPGXURJNSS-LBPRGKRZSA-N 406.338 5.635 0 40 HKAB COc1cccc(-n2c(SCc3cc(C)ccc3C)nc3ccccc3c2=O)c1 6028409 HWWORXKXXLLUMJ-UHFFFAOYSA-N 402.519 5.303 0 40 HKAB CCc1ccccc1N1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O 6752551 XERCYGGFYVOBJV-JOCHJYFZSA-N 415.581 6.090 0 40 HKAB C/C(=C\c1ccccc1)[C@@]1(C(=O)Nc2ccccc2C)CC(=O)N1c1ccc(C)cc1 6755258 OKSPJTGSOAVIIP-PCLGYLGWSA-N 410.517 5.521 0 40 HKAB COc1ccc(CN(Cc2cccs2)C(=O)c2ccc3ccccc3n2)cc1OC 7780229 ICOSFFKZLGTELJ-UHFFFAOYSA-N 418.518 5.156 0 40 HKAB O=C(NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)[C@@H]1Cc2ccccc2O1 7961919 YMGPOQQBESXWIT-CYFREDJKSA-N 416.908 5.073 0 40 HKAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(CSc2ccccc2)cc1C 8041145 HMLWOROFWGQAAM-JOCHJYFZSA-N 409.526 6.223 0 40 HKAB Nc1c(C(=O)Nc2ccccc2)sc2nc3c(c(-c4ccc(Cl)cc4)c12)CCC3 8385964 NNCZGONGGYFKTD-UHFFFAOYSA-N 419.937 5.940 0 40 HKAB Cc1ccc(NCc2cc3c(C(C)(C)C)nn(-c4ccc(Cl)cc4)c3[nH]c2=O)cc1 8412047 LOTVTYQGKSRAGH-UHFFFAOYSA-N 420.944 5.585 0 40 HKAB Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 8475615 RTRDMKMBPABEIJ-UHFFFAOYSA-N 402.281 5.048 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 8663557 HLCFRCCTMSFHNR-UHFFFAOYSA-N 419.139 5.654 0 40 HKAB Cc1c(NS(=O)(=O)c2ccc(Cl)s2)cccc1-c1nc2cccnc2s1 9403977 MHNOAYOJQQVHJY-UHFFFAOYSA-N 421.956 5.182 0 40 HKAB Cc1ccc(-n2nc3c(c2NC(=O)c2cc(Cl)ccc2Cl)CSC3)c(C)c1 9404465 NLDHEBYFCPOQHC-UHFFFAOYSA-N 418.349 5.795 0 40 HKAB Brc1ccc(-c2noc(-c3cc(-c4ccc5ccccc5c4)n[nH]3)n2)cc1 9638104 ACRINOKHDXZKNC-UHFFFAOYSA-N 417.266 5.709 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3c(C)cccc3C(C)C)c2)cc1 10314251 JRASISAEZMTFGK-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB CCCCCCc1c(C)c2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2oc1=O 11865516 LOKMOYYGRHAZTE-UHFFFAOYSA-N 418.486 5.131 0 40 HKAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(OCc2ccccc2)cc1 13679828 UGKNUEUJYXTYEX-UHFFFAOYSA-N 422.333 5.514 0 40 HKAB O=C(Nc1ccc(Br)c2cccnc12)c1cc(Br)cs1 13960357 COMAHDFDZPXARX-UHFFFAOYSA-N 412.106 5.074 0 40 HKAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)o1 14343229 IFLPMVYSUWKYRH-UHFFFAOYSA-N 412.474 5.574 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccccc2)cc1 14609520 RDJYIGDHSGNZKU-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CC(C)(C)c1ccc([C@@H]2CC(=O)c3cnc(NC(=O)Nc4ccccc4)nc3C2)cc1 16323191 JKLORFCZLOOCGG-KRWDZBQOSA-N 414.509 5.331 0 40 HKAB Clc1ccc(COc2ccc(Br)cc2CNC2CCCCC2)cc1 16401761 OMQGVNLUYZHUIL-UHFFFAOYSA-N 408.767 6.104 0 40 HKAB Cc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 16750802 UPRBYEZBUJRDCQ-LJQANCHMSA-N 420.465 5.064 0 40 HKAB Cc1ccnc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 17089065 WTYIGASNWJRYJB-SOFGYWHQSA-N 411.914 5.138 0 40 HKAB O=C(/C=C\c1ccccc1)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 17178097 XOHQUPFDSLGVRL-PFONDFGASA-N 400.409 5.476 0 40 HKAB CCOC(=O)C1(Cc2cc(-c3ccccc3C)no2)CCN(Cc2ccsc2)CC1 19530213 LOHKXIMKOJKAAS-UHFFFAOYSA-N 424.566 5.100 0 40 HKAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1 19689413 QJVUXIVIPSBGLK-HXUWFJFHSA-N 412.965 5.107 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccccc2Cl)cc1OCC 20451570 YYQYEPUMHXDFKP-MAUKXSAKSA-N 405.922 5.172 0 40 HKAB Cc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(Cc2ccccc2Cl)C4)cc1 20934022 DJLQPZRWKIMGGO-UHFFFAOYSA-N 417.892 5.774 0 40 HKAB O=C1[C@H](Cc2ccccc2)n2c(-c3ccc(Cl)cc3)nnc2N1c1ccccc1 27525995 RTKFYFQJNLYURK-FQEVSTJZSA-N 400.869 5.061 0 40 HKAB O=C(Nc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1)c1ccco1 27994407 GJZRLNFFLRTTIX-UHFFFAOYSA-N 415.301 6.629 0 40 HKAB COc1cc(OC)c(OC)cc1/C=C/C(=O)N(C)[C@H](C)c1ccc(Cl)cc1Cl 30317003 LLIMJOLHBOPLCB-YSKGHYERSA-N 424.324 5.252 0 40 HKAB Cc1ccc(-c2csc(-n3c(NC(=O)c4cc5ccccc5o4)cnc3C)n2)cc1 32616214 QPZJXKCVMKOWBE-UHFFFAOYSA-N 414.490 5.611 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1 32752876 TWJKEBNSQBQVEU-INIZCTEOSA-N 424.932 5.039 0 40 HKAB Cc1ccc(NC(=O)CN(C)C(=O)/C(=C/c2cccc(C)c2)c2cccs2)cc1 32906818 NKVYUAPKJHTOBR-RCCKNPSSSA-N 404.535 5.003 0 40 HKAB CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 33820606 LGJMUZUPVCAVPU-GJAZBXDESA-N 416.734 8.105 0 40 HKAB in-vitro CC(C)C[C@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccccc1 38756903 NXBWPWNTPKZNOG-YFORGORKSA-N 403.953 6.784 0 40 HKAB CN(C)c1ccc(NC(=O)c2ccc(COc3ccccc3F)o2)c(C(F)(F)F)c1 40133662 IBCRCRDWTSEQIZ-UHFFFAOYSA-N 422.378 5.335 0 40 HKAB CC[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(C)c(C)c1 44856566 VTHZOTYILVZLNB-HHHXNRCGSA-N 412.577 5.743 0 40 HKAB CC(C)c1nc(CCNC(=O)Nc2ccccc2CN(C)C2CCCCC2)cs1 58297574 NKWLDCDXKKETLU-UHFFFAOYSA-N 414.619 5.395 0 40 HKAB CN(Cc1ccc(Br)s1)C(=O)NCc1ccc(OC2CCCC2)cc1 60339321 NFJIOVPOJLDUCY-UHFFFAOYSA-N 423.376 5.174 0 40 HKAB O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(Br)cc1F 64984897 RGBYGXZLNIVZOM-UHFFFAOYSA-N 400.247 5.273 0 40 HKAB CSc1nc2ccc3nc(Nc4nc5c(C)c(C)ccc5s4)sc3c2s1 70655609 AABBRALHQRPNPN-UHFFFAOYSA-N 414.606 6.598 0 40 HKAB Cc1ccccc1CNc1ccccc1NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 95467812 PKUHQBJKQRMAKD-UHFFFAOYSA-N 409.489 5.419 0 40 HKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(O)=C2[C@@H]1c1cccnc1 101268564 WARCHNXBEVFXCH-ZBLYBZFDSA-N 423.516 5.960 0 40 HKAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 102983028 OWXRIXNNWKJTDH-NVPYSNMXSA-N 413.904 5.583 0 40 HKAB Cc1nc(-c2ccc(CCNC(=O)C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)cc2)cs1 103144253 YBEMKHXHMDZQPL-YUOVDFJASA-N 415.002 5.355 0 40 HKAB CC(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 106724978 IRBFORZBLBVRQH-WQRHYEAKSA-N 416.340 5.809 0 40 HKAB CCC(=O)[C@H]1[C@H](CC)C[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918197 XFFDYWGJZFMHBB-LFKABVEUSA-N 400.603 6.112 0 40 HKAB CCC(C)(C)[C@@H]1CCc2nc3sc(C(=O)N(C)Cc4ccccc4)c(N)c3cc2C1 215679690 AEJLZYMXJLAORN-GOSISDBHSA-N 421.610 5.692 0 40 HKAB Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1OCc1ccccc1)CC(C)(C)O2 218987591 FKWMNVLYCCGWDD-JOCHJYFZSA-N 401.506 5.606 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 223272720 MRIQHBJTBPIXDQ-RRPNLBNLSA-N 413.561 5.937 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1cccc(Cl)c1 224145107 OOJPSQKOQXFDSJ-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB CCC[C@H](C)NC(=O)c1ccc(OC)c(COc2ccc(-c3ccccc3)cc2)c1 224222831 NVPWKUGEZYXHOW-IBGZPJMESA-N 403.522 5.860 0 40 HKAB COc1ccc(NC(=O)c2ccc(OC)c(CSc3ccccc3)c2)c(OC)c1 224326805 JQDLFEDMJAJUGQ-UHFFFAOYSA-N 409.507 5.257 0 40 HKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225102493 BGHAHNOZLUBFIC-OAHLLOKOSA-N 408.310 5.308 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=O)CCc1c(Cl)cccc1Cl)CC(C)(C)O2 225361202 YDOGSMCUBNOMMJ-SFHVURJKSA-N 408.325 5.353 0 40 HKAB COc1cc(C)c(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1C(C)C 225658992 RSEXZPJKCXZGGK-UHFFFAOYSA-N 417.593 6.847 0 40 HKAB CC[C@@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(C)cc1C 225715512 PNLCXZZPWUHQDM-QGZVFWFLSA-N 411.796 6.157 0 40 HKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225745018 KJVWBEXQRZASNL-DEOSSOPVSA-N 404.595 5.111 0 40 HKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)C(C)C)c(C)c1 225766122 YXKVHXQAVNFNAQ-QHCPKHFHSA-N 409.599 5.422 0 40 HKAB C[C@@H](NC(=O)CCc1nc(-c2cccc3ccccc23)no1)c1ccc(Cl)cc1 225830285 HNQWUAIQEMYYEJ-OAHLLOKOSA-N 405.885 5.353 0 40 HKAB COc1ccc(C)cc1C(=O)c1sc2nc(C(F)(F)F)c3c(c2c1N)CCCC3 257173879 ZVNQUTVMGSQGED-UHFFFAOYSA-N 420.456 5.324 0 40 HKAB COc1ccccc1NC(=O)c1cc(Br)ccc1OCc1ccccc1 408586203 LVESOHCJIRBICK-UHFFFAOYSA-N 412.283 5.289 0 40 HKAB CC(C)c1ccccc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 408619172 GIHZGOIHTOGLDE-UHFFFAOYSA-N 404.535 5.516 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccccc2)c(C)c1 408700235 ZWTLUYGOJDWLQM-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccc(OCc2ccccc2Cl)cc1 408761614 HELPFVRUIAQPPA-MTJSOVHGSA-N 424.283 5.917 0 40 HKAB CCOc1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)sc2CC(=O)O)cc1 408884689 YDEYHGIQKMYKDB-UHFFFAOYSA-N 423.321 5.886 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)c(C)c1 409137201 UOXDFZFLDYZYBJ-DHYWSWINSA-N 422.572 6.852 0 40 HKAB Cc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409178732 HVUQFMLULNUMCY-GOZGONJHSA-N 422.572 6.222 0 40 HKAB Cc1cc(C)c(NC(=O)CSc2nnc3c(C)cc4ccc(C)cc4n23)c(C)c1 903046 RCAHBQZHMAICOW-UHFFFAOYSA-N 404.539 5.155 0 40 HKAB CCCC(=O)Nc1ccc(-c2nc(-c3ccccc3)n(Cc3ccc(F)cc3)n2)cc1 1361646 HOEKUTGHNBHIIZ-UHFFFAOYSA-N 414.484 5.538 0 40 HKAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(Cl)c(Cl)c1 1774713 UGJRYSHJTUDCHA-UHFFFAOYSA-N 405.281 5.861 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1 2062608 LATGVCMYILWGNP-UHFFFAOYSA-N 400.478 6.234 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3nc4ccccc4s3)c3cccc(C)c3n2)cc1 2079737 CLRHKFDWFCORNP-UHFFFAOYSA-N 409.514 6.381 0 40 HKAB CCCCc1cc(=O)oc2c(C)c3occ(-c4ccc(-c5ccccc5)cc4)c3cc12 2093814 AOGKQONRJOZQIS-UHFFFAOYSA-N 408.497 7.524 0 40 HKAB biogenic CCCCOc1ccc(-c2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1 2326173 PKXQBOCBBVEGMJ-UHFFFAOYSA-N 402.907 5.681 0 40 HKAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2nc3ccc(C)cc3s2)c1 2723098 OJZWLXGPJZCTOD-UHFFFAOYSA-N 408.552 5.138 0 40 HKAB COc1cc2c(cc1NC(=O)Nc1cccc(C(F)(F)F)c1)oc1ccccc12 3135808 VNCIMAFANPNSOB-UHFFFAOYSA-N 400.356 6.257 0 40 HKAB CC1=C(CC[C@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 4074036 KIDQUNOGEXTBNB-CAKZFLTQSA-N 414.630 5.618 0 40 HKAB biogenic Cc1ccc2nc(-c3ccc(NC(=O)c4ccc5ncsc5c4)cc3)sc2c1 4088360 OYNFPIYKQJCVLT-UHFFFAOYSA-N 401.516 6.134 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1ccccc1 4119842 LGMYNRRLEWSUHX-UHFFFAOYSA-N 411.914 5.049 0 40 HKAB O=C(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(Cl)cc1 4167065 IHSQYJUMJVSJKV-UHFFFAOYSA-N 410.848 5.455 0 40 HKAB CCCc1nc2sc3c(NCCc4ccccc4)ncnc3c2c2c1CCCC2 4360312 VZYAMXYPTRCGCC-UHFFFAOYSA-N 402.567 5.725 0 40 HKAB O=C(O)c1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 4474886 DUUDDQLVNUYYMC-UHFFFAOYSA-N 402.233 5.736 0 40 HKAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cccc(Cl)c4)o2)N3)C1 4556327 FHOYEPKOAOBJPK-IBGZPJMESA-N 413.930 5.468 0 40 HKAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(Br)cc3)o2)cc1 4619589 IWNLYQNMCGJFJR-LBPRGKRZSA-N 403.301 5.171 0 40 HKAB CC(C)[C@@H]1CC[C@H](C)c2c(-c3ccc(Cl)cc3)nn(C(=O)/C=C/c3ccccc3)c21 4671450 MIVRGYYYCUHJCD-BHHVWIJGSA-N 418.968 7.194 0 40 HKAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(c2ccccc2)c2ccccc2)c1 4715676 NYXORTWILYOFBP-UHFFFAOYSA-N 406.913 5.849 0 40 HKAB CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3c2C1 4735740 NPSHTVNVJHMSRR-KRWDZBQOSA-N 411.567 6.083 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Br)cc2)N3)C1 4867063 XLYPUQFFIYCJCF-PXAZEXFGSA-N 419.388 5.516 0 40 HKAB CC(C)Cc1ccc([C@H](C)NC(=O)CSc2nnc(-c3ccccc3F)o2)cc1 4987623 JPLDOZNYQGWHDQ-HNNXBMFYSA-N 413.518 5.044 0 40 HKAB Cc1[nH]nc(-c2ccc(OCc3ccc(F)cc3Cl)cc2O)c1-c1ccccc1 5343819 JNBFOCOJLDRQMN-UHFFFAOYSA-N 408.860 6.129 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3cccc(OC)c3)n2CC)cc1 5518005 ISMKPHHJXPDGDK-INIZCTEOSA-N 424.570 5.218 0 40 HKAB COc1ccccc1/C=C1/SC(=O)N(CNc2ccc(Cl)c(Cl)c2)C1=O 6458233 LMJRWKZAVYOADE-LZYBPNLTSA-N 409.294 5.108 0 40 HKAB Cc1ccc2nc(NC(=O)c3c(-c4c(F)cccc4Cl)noc3C)sc2c1 6504138 SQUZJNAOGNHJDW-UHFFFAOYSA-N 401.850 5.613 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1 6569582 ANPUFBWLAFRQAE-NTCAYCPXSA-N 407.583 5.327 0 40 HKAB COc1cc(CNC(C)(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 6882511 PZARGPKXNZBVBS-UHFFFAOYSA-N 402.749 6.123 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2nc3cc(Cl)c(OC)cc3s2)cc1 7080189 SGZALUVJTMPMHZ-LBPRGKRZSA-N 404.919 5.489 0 40 HKAB Cc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c(C)n1-c1ccc(F)cc1 7342843 GGRLFUPSEYAUMA-NDENLUEZSA-N 407.470 5.327 0 40 HKAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1C 7939787 CNWVMYRKZQVQIW-UHFFFAOYSA-N 410.473 5.314 0 40 HKAB COc1ccc(-c2nnc([C@@H](C)Sc3nc(C)nc4sc(C)c(C)c34)o2)cc1 8560494 IWKUAYDZCDPESQ-GFCCVEGCSA-N 412.540 5.528 0 40 HKAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2Cl)o1 8591156 JVVJSMOJKOWIOC-SECBINFHSA-N 404.319 5.254 0 40 HKAB C[S@@](=O)c1ccccc1-c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 8773024 PSEILGFONRWDBD-NDEPHWFRSA-N 420.334 5.179 0 40 HKAB COc1ccc([C@H]2CC(C)=NN2c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 8991030 YRKMCMOFCBNKGW-LJQANCHMSA-N 409.511 5.163 0 40 HKAB Cc1ccc(NC(=O)CCN2C(=O)c3ccccc3[C@H]2c2c(C)[nH]c3ccccc23)cc1 9095191 QURYUBBMFJBQGU-SANMLTNESA-N 423.516 5.359 0 40 HKAB COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1Cl 9379846 RPDMISRRVKKGTO-UHFFFAOYSA-N 418.880 5.037 0 40 HKAB COc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1OC 10042480 WFDGRGAGIOCMRK-QFIPXVFZSA-N 410.853 5.138 0 40 HKAB C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)Nc1ccc(F)cc1F 10262307 JESWEEBNQLETAG-OAHLLOKOSA-N 406.436 5.529 0 40 HKAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(SCc2cccnc2)cc1 11596459 DJHPYTKWAOZJCV-UHFFFAOYSA-N 413.546 5.720 0 40 HKAB COc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2C)cc1OC 12482303 RACKGBMDHNDFHT-UHFFFAOYSA-N 422.868 5.726 0 40 HKAB Cc1cccc(N2C(=O)/C(=C\Nc3ccc(Cl)c(Cl)c3)c3ccccc3C2=O)n1 12651886 HTYGQNVUALZHHC-ATVHPVEESA-N 424.287 5.337 0 40 HKAB O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)C1=Cc2ccccc2CC1 12741417 MJOFYXQZQZZTAR-UHFFFAOYSA-N 419.506 5.060 0 40 HKAB Cc1nc(NC[C@H](c2ccccc2Cl)N(C)C)c2c3c(sc2n1)CCCC3 13040208 YAURUUNITRHTPA-QGZVFWFLSA-N 400.979 5.247 0 40 HKAB Cc1sc2nc(S[C@@H](C)C(=O)c3ccc(F)c(F)c3)n(C(C)C)c(=O)c2c1C 13138257 IHWPVYWCDVGOLF-LBPRGKRZSA-N 422.522 5.297 0 40 HKAB O=C(CSc1ncnc2c(-c3ccc(Cl)cc3)nsc12)OC1CCCCC1 13512698 XQOPOTKDNAOHAA-UHFFFAOYSA-N 419.959 5.375 0 40 HKAB CCc1cc(-c2nnc(SCc3c(Cl)cccc3Cl)n2C(C)C)cs1 14002115 DWRUUMMSYHGHAW-UHFFFAOYSA-N 412.411 6.749 0 40 HKAB CCCSc1nn(CN2CCC(c3nc4ccccc4o3)CC2)c(=S)s1 14171107 NLJWICQEIPGYRG-UHFFFAOYSA-N 406.602 5.154 0 40 HKAB CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OCC 15010492 NIVLAXCTFBYGMA-UNOMPAQXSA-N 417.914 5.374 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3ccc(C)o3)N3CCC(C)CC3)oc2c1 15860499 NXOGNGLOKQXTRX-FQEVSTJZSA-N 408.542 5.462 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 16005072 NYNDAFOKLBVDTE-UHFFFAOYSA-N 422.815 5.378 0 40 HKAB N#C[C@@H](C(=O)c1ccc(Cl)cc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 16346116 VRDCOLIBLIXABU-NSHDSACASA-N 415.223 6.112 0 40 HKAB Cc1ccc(CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)n2C)cc1 17041797 UWUPAFSYANTJLG-UHFFFAOYSA-N 411.577 5.116 0 40 HKAB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(Cl)c(Cl)c1 17091225 UMVCPBAAFIEOKX-UHFFFAOYSA-N 417.683 5.633 0 40 HKAB COc1cccc(C(=O)N2CCC(c3cc(Cc4ccccc4F)cc(C)n3)CC2)c1 19691654 AGYLDJAVIWGEME-UHFFFAOYSA-N 418.512 5.148 0 40 HKAB S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 22111357 INGRUTZIAXNGRE-UHFFFAOYSA-N 417.321 5.918 0 40 HKAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccnc1Oc1ccccc1 24347727 HQPJEIZHXUGGRM-UHFFFAOYSA-N 412.474 5.502 0 40 HKAB CCCOc1ccc(-c2nonc2NC(=O)c2oc3c(C)c(C)ccc3c2C)cc1 27663236 BCTNHYPPFGQSQC-UHFFFAOYSA-N 405.454 5.449 0 40 HKAB Cc1ccc(-c2nc(CCNC(=O)c3oc4cc(C)c(C)cc4c3C)cs2)cc1 28289451 XAJBUADQZXXJGW-UHFFFAOYSA-N 404.535 5.762 0 40 HKAB Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2Br)c1C 30947826 VTIPBQGJHMXUEP-OAQYLSRUSA-N 407.311 5.837 0 40 HKAB Cc1cccc(NC(=O)Nc2c(C)nn(COc3ccc(Cl)cc3Cl)c2C)c1 32610647 AQPVBCJTDSJCQA-UHFFFAOYSA-N 419.312 5.796 0 40 HKAB CN(c1ccccc1)c1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1 40142336 QIFOVFJRASPQHK-UHFFFAOYSA-N 419.550 5.007 0 40 HKAB CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 44886549 IVYNWNCRDLEHPB-QHCPKHFHSA-N 407.485 5.187 0 40 HKAB Cc1cccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3Cl)no2)c1 46012313 ISHXLMLMMZPILL-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1ccccc1C(F)(F)F 67295501 UQMJAFSOJDRQBJ-MEFGMAGPSA-N 412.367 5.207 0 40 HKAB CC(=O)c1cc(C)ccc1OC(=O)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 67299828 SDCZNJNPKXOXBD-UHFFFAOYSA-N 422.786 6.349 0 40 HKAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cccc(Br)c1 72229861 LFYOZRIHSMHLQW-IBGZPJMESA-N 416.702 5.437 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1csc(-c2cccc(Cl)c2)n1 95385760 WYRCBVZSWRLKJO-GFCCVEGCSA-N 413.955 5.906 0 40 HKAB CC(C)n1c2ccccc2c2c1cc(C(=O)Nc1cccc(Cl)c1)n2C(=O)N(C)C 96037366 SBXMVSUBAYGQQV-UHFFFAOYSA-N 422.916 5.612 0 40 HKAB Cc1cc(C)c(N2C(=O)[C@H]3[C@@H](c4ccccc4)C=C[C@@H](c4ccccc4)[C@@H]3C2=O)c(C)c1 100539881 DFQXSXPRPJMBGK-QYOOZWMWSA-N 421.540 5.855 0 40 HKAB C[C@@]12CC3CC(NC(=O)c4cccc5c(Br)cccc45)(C1)C[C@@](C)(C3)C2 101195901 HVQSPRHGCQIRRL-XCAKMYDFSA-N 412.371 6.081 0 40 HKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](c5cccc(=O)o5)CC[C@H]4[C@@H]3CC[C@@H]2C1 118924405 NJSXEKDLWSSOHT-YRSQQJHNSA-N 412.570 5.698 0 40 HKAB CCc1ccc(OCC(=O)N[C@@H](CC)c2ccc(C)cc2C)c(Br)c1 218868028 IPDAFGALDVXBBU-IBGZPJMESA-N 404.348 5.275 0 40 HKAB CC(C)c1ccc(CCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 219847601 HBOLCJCDTRKQNZ-UHFFFAOYSA-N 421.968 6.405 0 40 HKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(OCC)cc2)o1 222892794 BTDQJLGTEBHLSS-YADHBBJMSA-N 407.539 5.123 0 40 HKAB Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 223361143 KIAJWGMHXSEIGE-YADHBBJMSA-N 419.481 5.246 0 40 HKAB O=C(COc1cccc2c1CCCC2)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 224358620 MWLOIAXMYZLTLF-JOCHJYFZSA-N 405.538 5.287 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccccc1C(C)(C)C 224509602 IONUTBSUONIFRT-UHFFFAOYSA-N 421.512 6.353 0 40 HKAB CCC1(CC)C[C@H](NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c2ccccc2O1 224710397 FQMXDCMRVJRVSW-DEOSSOPVSA-N 420.597 5.731 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCSCc2ccccc2Cl)c1 225244327 QAGATFFCIXKFSP-KRWDZBQOSA-N 405.991 5.589 0 40 HKAB O=C(c1cccs1)N1CCS/C1=C/c1csc(Nc2ccc(F)cc2)n1 225253837 CVJJQTIQMSPOSL-MHWRWJLKSA-N 403.529 5.275 0 40 HKAB O=C(N[C@@H]1CC2(CCCCC2)Oc2ccccc21)C1(c2ccccc2)CCOCC1 225440319 OBAUGNFSLHYZLL-JOCHJYFZSA-N 405.538 5.078 0 40 HKAB COc1cc(C)c(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1C(C)C 225659095 FADSASOVWIKKDM-UHFFFAOYSA-N 408.542 5.442 0 40 HKAB CCOC(=O)c1cc(NC(=S)N[C@H](c2ccccc2C)C(C)C)ccc1Cl 225761805 BDBRWCDFAOUOCT-IBGZPJMESA-N 404.963 5.509 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H](C(=O)O)[C@H]([C@@]3(C)CCCCC3=O)CC[C@]12C 253390085 CGYXDTVDPDQBGI-BZWFPGKASA-N 404.635 6.742 0 40 HKAB biogenic,in-vitro CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)on1 257278878 OEBNWTRYUXSZKB-LJQANCHMSA-N 413.905 5.398 0 40 HKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1cccc(Cl)c1Cl)C[C@]2(C)NC(=O)C1CCCC1 257286040 PJYVYKOYQVFSCR-JYCQOMSASA-N 424.412 6.325 0 40 HKAB CCOc1cc(C(=S)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1 408572084 FERJCURRSWVXPI-UHFFFAOYSA-N 411.954 5.783 0 40 HKAB CCCOc1ccccc1/C=C1/SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 408601206 JAPWBZBHVJZARH-XDHOZWIPSA-N 415.898 5.048 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2ccc(Cl)cc2)cc1 408695894 USQAOGAMNJXAJC-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409072387 NFYQXRFHWMAYLX-YXHQGMJNSA-N 405.281 5.268 0 40 HKAB Fc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(F)cc2)cc1 409093847 AWFBQPJDAZPTRR-UHFFFAOYSA-N 413.880 6.158 0 40 HKAB Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c(C)c1 409113588 DSLKPRIAZXUZLZ-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB CCOc1cc(-c2nc(O)c3ccccc3n2)ccc1OCc1cccc2ccccc12 409261614 FGJTVSJXVQXMCT-UHFFFAOYSA-N 422.484 6.133 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1 409382916 XUCPCAQPKZCDPV-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB Cc1ccc(OC(C)C)c(-c2ccc(C(=O)O)c(COc3ccccc3C(C)C)n2)c1 585265187 ICYRKFOKYQFNQZ-UHFFFAOYSA-N 419.521 6.245 0 40 HKAB C[C@@H](Sc1nncn1-c1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 613876199 KSIGKLDZSTYRQJ-QGZVFWFLSA-N 400.507 5.373 0 40 HKAB CCNc1nc(CSc2nc3ccc(OCC)cc3s2)c(C(=O)OCC)s1 1505840504 HFTSNRSRIWBMTH-UHFFFAOYSA-N 423.585 5.052 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1Cl 878060 NSWUCAXVMSYREL-UHFFFAOYSA-N 400.887 5.305 0 40 HKAB COc1cc([C@H]2CC(c3ccccc3O)=Nc3ccccc3S2)cc(OC)c1OC 984779 DPVWYVFWXZNYKJ-HSZRJFAPSA-N 421.518 5.776 0 40 HKAB CC(C)c1nc(SCC(=O)Nc2ccccc2F)c2c3c(sc2n1)CCCC3 1377468 GRZLYJYJTMFLIY-UHFFFAOYSA-N 415.559 5.563 0 40 HKAB COc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccccc2F)cc1 2241447 FVQIWABLSYHZPO-JXMROGBWSA-N 417.509 5.888 0 40 HKAB CCn1c(NC(=O)c2ccc(Cl)cc2)c(-c2ccccc2)c(=O)c2ccccc21 2359668 SZFDEKMHWNJAOS-UHFFFAOYSA-N 402.881 5.594 0 40 HKAB COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc12 2415760 IJZBCBYMMKXJSS-UHFFFAOYSA-N 410.466 5.061 0 40 HKAB biogenic Cc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4cccc5ccccc45)nc3C2)cc1 2439800 IKFYSDQJDCWVHC-LJQANCHMSA-N 407.473 5.103 0 40 HKAB CCOC(=O)Cc1csc(SCc2cc(=O)oc3cc(C)c(C(C)C)cc23)n1 2627281 LONQFQXJBYDDHT-UHFFFAOYSA-N 417.552 5.079 0 40 HKAB Cc1ccc(C(=O)C[C@H](Nc2ccc(F)cc2)c2ccc(Br)cc2)cc1 3067984 ZRHMDNZMOQXHDS-NRFANRHFSA-N 412.302 6.323 0 40 HKAB O=C(Nc1c(Cl)cccc1Cl)C(F)(F)Oc1cccc(C(F)(F)F)c1 3117007 PNPCFTMNXYDUAR-UHFFFAOYSA-N 400.130 5.623 0 40 HKAB Cc1cccc(Nc2nnc(SCC(=O)c3ccc(OC(F)F)cc3)s2)c1 3372273 HETBAMNGRRKTDG-UHFFFAOYSA-N 407.467 5.167 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(C2CC2)n1-c1ccccc1 4890243 PYCYVJHOXITTFM-OAHLLOKOSA-N 402.523 5.298 0 40 HKAB CC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)[C@@H](C)c1cccs1 5076584 BXEUCOHZDIOKBI-OPHFCASCSA-N 413.627 6.129 0 40 HKAB C[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 5662440 PPUSDFQWABGPBS-CBKZDSQWSA-N 410.561 6.237 0 40 HKAB O=C(CSc1nc2ccccc2s1)Nc1c(Cl)cc(Cl)cc1Cl 6061444 XDPVGEBKOYVIMG-UHFFFAOYSA-N 403.743 5.987 0 40 HKAB FC(F)Oc1ccc(-c2nnc3n2N=C(C24CC5CC(CC(C5)C2)C4)CS3)cc1 6087162 WMHZOTXZKZBRDG-UHFFFAOYSA-N 416.497 5.073 0 40 HKAB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 6965008 QAPUBBUWKXSLMA-ATVHPVEESA-N 409.411 5.659 0 40 HKAB O=C(CCCSc1nc2ccccc2s1)Nc1ccccc1Cc1ccccc1 7779077 UXPXTERULSHUPS-UHFFFAOYSA-N 418.587 6.398 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)cc2)cc1 7882540 OJTGQSKKOLAESB-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB Cc1ccc(C(=O)CCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1C 7948401 KFBWPOWLWQJPHQ-HSZRJFAPSA-N 409.576 5.564 0 40 HKAB Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n1 8192268 YNYHMEKCPMSSKQ-UHFFFAOYSA-N 418.566 5.173 0 40 HKAB C[C@H](NC(=O)c1ccc(I)cc1)c1ccc(C(C)(C)C)cc1 10111797 XINJPQKRFLPEBW-ZDUSSCGKSA-N 407.295 5.080 0 40 HKAB O=c1c2cnc(Nc3ccc(Oc4ccccc4)cc3)nc2ccn1Cc1ccccc1 10157499 LLKBRDPVWIOUJM-UHFFFAOYSA-N 420.472 5.376 0 40 HKAB CCn1ncc2c(C(=O)Nc3ccc(F)cc3Cl)cc(-c3cccs3)nc21 11376329 GEYKWTZIOCWNGF-UHFFFAOYSA-N 400.866 5.225 0 40 HKAB Cc1cc2oc(C(=O)Nc3nc(-c4ccc(F)cc4)ns3)c(C)c2cc1Cl 11914342 WVYGBXQCJWSQPI-UHFFFAOYSA-N 401.850 5.613 0 40 HKAB c1ccc(-n2c(SCc3csc(C4CCCCC4)n3)nnc2-c2ccco2)cc1 12377114 WAACTSHGSOWSDM-UHFFFAOYSA-N 422.579 6.324 0 40 HKAB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3ccc(F)cc3)cccc2c1Cl 12843048 XJCJHWYKRLBWDM-UHFFFAOYSA-N 404.894 5.474 0 40 HKAB Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@H]3CCCc4ccccc43)s2)c1 13138536 BYPGCWSTNHDOBX-KXBFYZLASA-N 424.595 5.265 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CCC(=O)C[C@H]1C[C@H]3O 13543186 HHVQPBXBALLUDF-QORHGLQKSA-N 418.662 5.618 0 40 HKAB endogenous,in-man C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 13685606 DCTHQHQZCGBYOK-IAGOWNOFSA-N 422.912 5.237 0 40 HKAB CCOc1ccc(Oc2ccccc2NC(=O)Cc2cnn(-c3ccccc3)c2)cc1 14162993 PFPHXKVRLPTJID-UHFFFAOYSA-N 413.477 5.245 0 40 HKAB Cc1nc2ccccc2nc1COc1ccc(OCc2nc3ccccc3nc2C)cc1 16265330 CGFYZICFNNXIFX-UHFFFAOYSA-N 422.488 5.348 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1Cl 17093748 VSNKKEPJXBZSPJ-QJHTWHTCSA-N 423.984 6.643 0 40 HKAB CC(C)C[C@@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccccc1 18131238 YDGHBEFJQZMBST-LJQANCHMSA-N 404.539 5.063 0 40 HKAB C[C@@H](Sc1ncnc2scc(-c3ccc(F)cc3)c12)C(=O)N1CCCCCC1 21604480 GPJZESFGTMTJAR-CQSZACIVSA-N 415.559 5.381 0 40 HKAB COc1ccc([C@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1OC 22514815 YNGAZTDAVAFTJY-LBPRGKRZSA-N 414.354 5.121 0 40 HKAB CCCCN1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1=O 27792494 KLLAQVPJTSONJQ-MRXNPFEDSA-N 416.352 5.507 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 33215789 FQQQOJNBZIHGEI-HXUWFJFHSA-N 403.482 5.028 0 40 HKAB CC1=C(C(=O)OC(C)(C)C)C(/C=C/c2ccccc2)C(C(=O)OC(C)(C)C)=C(C)N1 33575149 OZFDLGYIBGONIT-CCEZHUSRSA-N 411.542 5.151 0 40 HKAB Cc1cccc(C)c1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 33803328 GXMLAOJSGIXSIK-UHFFFAOYSA-N 409.363 5.952 0 40 HKAB C[C@H](NC(=O)CN1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 34896522 FKCDPOLRFRSRCW-RDJZCZTQSA-N 413.974 5.007 0 40 HKAB C=Cc1ccc(Cn2c3ccccc3n3c(=O)cc(-c4ccc(OC)cc4)nc23)cc1 40484687 ZSNGAXPPQKVCPI-UHFFFAOYSA-N 407.473 5.016 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N(Cc1ccsc1)Cc1ccccn1 44446060 PXAHLMHSXYKDQF-UHFFFAOYSA-N 400.931 5.183 0 40 HKAB CCOC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1C 44899776 VXOICPRTNMFJCK-UHFFFAOYSA-N 412.338 5.350 0 40 HKAB COc1ccc([C@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1OC 44899870 CDSWCNPBFWUBHN-LBSLPOPVSA-N 421.924 5.775 0 40 HKAB Cc1ccc2c(NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)cccc2n1 57316036 RSQSROKSEMDPRI-JXMROGBWSA-N 423.299 6.762 0 40 HKAB Cc1cccc(Nc2cccc([C@@H]3CCCN3Cc3c(C)nn(C(C)C)c3C)n2)n1 72375799 WIFSCEGMGWHVIL-QFIPXVFZSA-N 404.562 5.260 0 40 HKAB Clc1ccc([C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N2CCOCC2)cc1 96318770 HDTNDIDIUMPNLN-VWLOTQADSA-N 402.925 5.910 0 40 HKAB CC1=C[C@@H](C)[C@@H](C2OCC3(CO2)COC([C@@H]2[C@H](C)C=C(C)C[C@H]2C)OC3)[C@@H](C)C1 100740821 JLEHIYGUDHRGOJ-NWCSTMIASA-N 404.591 5.195 0 40 HKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 224264293 FIFDNWRYUNTWES-RUZDIDTESA-N 416.565 5.024 0 40 HKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 224428680 SXWZBARIGOGEIX-YADHBBJMSA-N 406.530 5.314 0 40 HKAB Cc1ccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224758650 FEMGLKGWPUNMQB-QFIPXVFZSA-N 420.597 5.021 0 40 HKAB CCC1(CC)C[C@H](NC(=O)CCCSc2ccc(Cl)cc2)c2ccccc2O1 225093786 RCLKAMUBDXKNOW-FQEVSTJZSA-N 418.002 6.411 0 40 HKAB CCC1(CC)C[C@@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2O1 225374215 BMUYEVJUTYAHTE-MRXNPFEDSA-N 414.354 5.354 0 40 HKAB S=C(NCc1ccc2c(c1)OCO2)Nc1ccc(CSc2ccccc2)cc1 225376770 OUIBCIDBHYOKQI-UHFFFAOYSA-N 408.548 5.194 0 40 HKAB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)NCc1cccnc1-c1ccsc1 225646095 YGSUQRGPWOUCGO-UHFFFAOYSA-N 424.875 5.731 0 40 HKAB CC[C@@H]1CCCCN1CCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 225779300 FGKYHJBMGHUMSW-OAQYLSRUSA-N 414.977 5.303 0 40 HKAB Cc1ccc(N(C)C(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1C 225907762 YVBBHZLXWCGWME-SFHVURJKSA-N 405.369 5.485 0 40 HKAB COc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 227147703 DENKCLGNYQZJJV-UHFFFAOYSA-N 411.672 5.750 0 40 HKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@H](c1ccccc1)C(Cl)(Cl)Cl 245231990 NODGGCSNXDZVRD-KGYLQXTDSA-N 415.575 5.805 0 40 HKAB CCc1s/c(=N\C(=O)c2cccc3ccccc23)n(CC)c1-c1ccc(C)c(C)c1 408561108 GQNXNDYUXPQTKP-RQZHXJHFSA-N 414.574 6.310 0 40 HKAB CCc1s/c(=N\C(=O)c2cccc3ccccc23)n(CC)c1-c1ccc(Cl)cc1 408561349 IEGLYANCOUXGCQ-LCUIJRPUSA-N 420.965 6.347 0 40 HKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)c1 408699142 RLLWXZKAQJTKFI-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1Cl 409111349 IKUGTYJXDPRXAZ-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccccc3)n2C)c(Cl)c1 409204744 JBPCOZYALVLFIP-LCUIJRPUSA-N 418.949 6.124 0 40 HKAB CC[C@H]1CCc2nc3sc(C(=O)Nc4cc(Cl)ccc4OC)c(N)c3cc2C1 661814 IRJJKJNEHWYWEK-NSHDSACASA-N 415.946 5.308 0 40 HKAB C[C@H]1CCc2c(sc(NC(=O)C(C)(C)C)c2C(=O)Nc2ccc(Cl)cc2)C1 722382 GIDICMGVUKBAPV-LBPRGKRZSA-N 404.963 5.763 0 40 HKAB Cc1cc(C)c(C)c(Oc2coc3cc(O[C@H](C)C(=O)OC(C)C)ccc3c2=O)c1 957228 IBJZFVSPSWMQOW-QGZVFWFLSA-N 410.466 5.229 0 40 HKAB Cc1ccc(-c2cnc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)s2)c(C)c1 973401 CVEZZRUCMSNDRO-UHFFFAOYSA-N 412.514 5.910 0 40 HKAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2c(F)cccc2Cl)C1=O 1013152 IUODDZMXTIKRAW-GIJQJNRQSA-N 400.862 5.505 0 40 HKAB Cc1ccc2cc(CN(Cc3ccc(F)cc3)C(=O)c3cccs3)c(=O)[nH]c2c1C 1359491 WNNHPEBQWQZVRU-UHFFFAOYSA-N 420.509 5.188 0 40 HKAB O=C(C[C@H](Sc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1)c1ccco1 1896393 UOILWVIASYOOBH-IBGZPJMESA-N 410.844 7.058 0 40 HKAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)cc1 2079440 HNXKUAMJMTXKRE-LJQANCHMSA-N 409.485 5.947 0 40 HKAB COc1ccc([C@H](C)NCC[C@@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1 2114762 ZQFNXXNYOCDXTL-DWACAAAGSA-N 417.593 6.664 0 40 HKAB biogenic CC(C)(C)c1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1Br 2135317 BIYWGFAVIATSGW-UHFFFAOYSA-N 423.354 6.743 0 40 HKAB COc1ccc2c(c1)N(C(=O)c1ccc(C)cc1)C(C)(C)c1ssc(=S)c1-2 2262160 CBKKFHCBZWWURD-UHFFFAOYSA-N 413.589 6.419 0 40 HKAB Cc1cc(OC(=O)c2ccccc2Cl)cc(OC(=O)c2ccccc2Cl)c1 2594639 PBZXARWEKKTSPJ-UHFFFAOYSA-N 401.245 5.740 0 40 HKAB COc1ccc(C)cc1-n1nnnc1S[C@@H](c1ccccc1)c1ccc(Cl)cc1 2635004 RQNNSVMFTPOSFO-NRFANRHFSA-N 422.941 5.514 0 40 HKAB Cc1ccc(NP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)c(C)c1 3177090 OGIPPVVWZQHABA-UHFFFAOYSA-N 409.466 7.215 0 40 HKAB Cc1cc(C)c(NC(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)c(C)c1 3230237 UAZLUIPQFQSIDK-LDADJPATSA-N 411.548 5.457 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc(C)c3)C3CCCCC3)cc2c1 4230979 OAECCHKAVLFOSO-UHFFFAOYSA-N 402.538 5.374 0 40 HKAB COc1ccc(/C=C/C2=NN(c3ccc(F)cc3)[C@@H](c3ccc(OC)cc3)C2)cc1 4422872 HVPVQZFSORQKMJ-KOWYYGNUSA-N 402.469 5.864 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 4659195 NKYVLMLHAXOLIY-UHFFFAOYSA-N 406.913 6.142 0 40 HKAB Cc1ccccc1-c1nc2cc(NC(=O)COc3ccc4ccccc4c3)ccc2o1 4723354 JODUTLDMLVHBJB-UHFFFAOYSA-N 408.457 5.974 0 40 HKAB COc1ccccc1[C@@H]1c2c(c3ccccc3oc2=O)Nc2ccc3ccccc3c21 4748043 VJIGWNNDPMXBDL-DEOSSOPVSA-N 405.453 6.192 0 40 HKAB Cc1ccc(C(=O)CSc2nnc3c4ccccc4nc(C4CCCCC4)n23)cc1 4898259 DFDDTMMZVDPBFU-UHFFFAOYSA-N 416.550 5.609 0 40 HKAB O=C(c1ccccc1F)N1CCc2cc(-c3csc(NC4CCCC4)n3)ccc21 5001228 VJCDMECQQOWSCH-UHFFFAOYSA-N 407.514 5.507 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccc(C)cc3)oc3ccccc3c2=O)cc1OC 5268515 PPIBAFZIENAFDO-UHFFFAOYSA-N 415.445 5.038 0 40 HKAB CCc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3F)n2C2CC2)cc1 5312909 ZFBDFFHTICKMPD-AWEZNQCLSA-N 410.518 5.101 0 40 HKAB Cc1ccc(N2C(=O)C[C@@]2(C(=O)NC2CCCCC2)c2ccc(C(C)C)cc2)cc1 5483048 MAXCUHRSDOWMFN-SANMLTNESA-N 404.554 5.200 0 40 HKAB CC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 5573233 LWQQMFHPBUDKEY-ZWZMAAFHSA-N 401.337 6.443 0 40 HKAB COc1ccc(C2=C(Sc3ccc(C)cc3)c3ccc(OC)cc3S2=O)cc1 5617785 OZAGQWBWALYFMS-UHFFFAOYSA-N 408.544 5.752 0 40 HKAB CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1 5984773 CDPSVYRGHSGEJT-JTQLQIEISA-N 413.326 5.003 0 40 HKAB Nc1ccc(-c2nc3cc(-c4ccc5nc(-c6ccc(N)cc6)[nH]c5c4)ccc3[nH]2)cc1 6142631 MTXGSGLDYXIXFF-UHFFFAOYSA-N 416.488 5.605 0 40 HKAB COc1cc(C(=O)Nc2cccc(Br)c2)ccc1OCc1ccccc1 6229952 NVSIEUZQVQYZAY-UHFFFAOYSA-N 412.283 5.289 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)c(C)c1 6275872 OEEWPUDRDYGACS-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB COc1cccc(/N=c2\cc(-c3cc(OC)c(OC)c(OC)c3)oc3ccccc23)c1 6669429 IRRTUYVFPGTJKG-LHLOQNFPSA-N 417.461 5.367 0 40 HKAB Cc1ccc(-c2c(NC(=O)CN3CCC(C)CC3)oc3ccc(Cl)cc3c2=O)cc1 6669820 ZJPVDQJXWJGYQB-UHFFFAOYSA-N 424.928 5.092 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1 7504646 IMFMHSHZDJCULH-UHFFFAOYSA-N 418.924 5.814 0 40 HKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3C/C=C/c3ccccc3)CC2=O)cc1 8656865 QBPGXAPERIUZIH-FNNXTJRKSA-N 407.517 5.579 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)[nH]2)cc1 9199434 ACTMNGGNVZPUOU-UHFFFAOYSA-N 400.935 5.153 0 40 HKAB CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1 9347399 RSPZHBPWPQORGG-UHFFFAOYSA-N 422.531 5.009 0 40 HKAB CSCC[C@H](NC(=O)c1ccc(SC(F)F)cc1)c1nc2ccccc2[nH]1 11605918 HCJILUZBGHKPKB-INIZCTEOSA-N 407.511 5.102 0 40 HKAB Cc1ccc(C)c(OCCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667385 FZNAADKKCCTLCT-LJQANCHMSA-N 417.509 5.206 0 40 HKAB CC(=O)Nc1cccc(NC(=O)c2sc(-c3c(Cl)cccc3Cl)nc2C)c1 12391824 NVBHCZZVFZNFAN-UHFFFAOYSA-N 420.321 5.636 0 40 HKAB Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccc(Br)cc3)cc2)cs1 12765811 VAMGHHBELOGPQG-LBPRGKRZSA-N 416.344 5.320 0 40 HKAB Cc1nc2cc(NC(=O)c3cccc4c(=O)c(C)c(-c5ccccc5)oc34)ccc2o1 12926215 KCMVTZASZNZPFS-UHFFFAOYSA-N 410.429 5.470 0 40 HKAB C[C@H](NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccccc1 14183684 QVMKACNLTBORMR-NPPFBWRTSA-N 417.578 5.217 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)c1C 14405396 YKMRSZYXSIMQFA-UHFFFAOYSA-N 404.514 5.113 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccc(C(C)(C)C)cc2)o1 15452117 SGOVAADDMUMSKH-UHFFFAOYSA-N 405.523 6.290 0 40 HKAB CC(C)CN(CC(C)C)C(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 15881092 ZJSSLVOKHBRWBX-UHFFFAOYSA-N 409.570 5.733 0 40 HKAB O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 16429455 MTHOPJQUXNEFJZ-YVLHZVERSA-N 418.663 6.251 0 40 HKAB C[C@@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc(-c2ccccc2)cc1 17959893 PLFPVBJFGICOAG-GOSISDBHSA-N 418.562 5.145 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(Cl)c(N2CCCC2=O)c1 18080037 AQHFBZHMEAQKJZ-UHFFFAOYSA-N 406.869 5.511 0 40 HKAB CCC(CC)C(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19500166 YMMGRHGZESLMKG-JOCHJYFZSA-N 415.541 5.382 0 40 HKAB Cc1nc([C@]2(O)CCCN(CC(C)C)CC2)sc1COc1ccc(Cl)cc1 19705256 CLOFPHHYGOOGIK-NRFANRHFSA-N 408.995 5.013 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1 20038823 BYSROGKSLBVEDU-RUZDIDTESA-N 411.501 6.215 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 20767837 FNECWUBYKVMBGG-UHFFFAOYSA-N 403.507 5.107 0 40 HKAB COc1cc(CNCCc2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 22074564 XSKUXFYQYVDZNM-UHFFFAOYSA-N 417.883 5.538 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(-c2cccnc2)cs1 28718021 KNIADCDHZAWPIA-UHFFFAOYSA-N 414.849 5.213 0 40 HKAB COc1ccccc1/C=C/C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 30848423 AAJPSIQPPNXHMI-SAPNQHFASA-N 413.517 5.876 0 40 HKAB C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccccc4C(=O)N4CCCCC4)cc3c2C1 32972098 GARDBIGJTFRFDW-QGZVFWFLSA-N 415.537 5.171 0 40 HKAB CC1(C)SC(=S)N(Cc2ccccc2)[C@@H]1N(O)C(=O)Nc1cccc(Cl)c1 36201723 JFMAHYPOVHLMBU-MRXNPFEDSA-N 421.975 5.202 0 40 HKAB Fc1ccc(Br)cc1CN[C@@H]1CCCc2c1cnn2Cc1ccccc1 40086368 JMZDVZAUCLIKNI-HXUWFJFHSA-N 414.322 5.000 0 40 HKAB C[C@@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(F)cc1 44934172 FTFIHCMGVHOQQW-CQSZACIVSA-N 409.332 5.222 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078440 IDMYIHUVCLUIJF-UHFFFAOYSA-N 404.897 5.494 0 40 HKAB Cc1noc(C)c1[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1ccc(Br)cc1 58426820 WNWGSYSGBSDRTD-XCLFUZPHSA-N 413.315 5.063 0 40 HKAB Cc1ccc(-n2ncc(C(=O)NCC(C)(C)c3ccccc3F)c2C(F)(F)F)cc1 60338216 IEUKFHBCQSWPEP-UHFFFAOYSA-N 419.422 5.046 0 40 HKAB CSc1cccc(NC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)c1 64872336 RSSNJDXKUGHRMT-UHFFFAOYSA-N 408.523 6.319 0 40 HKAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(F)cc3)n2)cc1 72357894 OCNVLCVUXJBCIG-RUZDIDTESA-N 418.512 5.116 0 40 HKAB CCOC(=O)c1c(NC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)sc(C(C)=O)c1C 102398487 XZUBCEHHOYJHTQ-WBRDPVCSSA-N 417.571 5.371 0 40 HKAB CC(C)C[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccccc1 219773016 YMKVFLXPJJRLRC-QHCPKHFHSA-N 407.941 6.436 0 40 HKAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 222564442 PIXKHMYUWUHNPK-JHVJFLLYSA-N 423.626 5.972 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 222971663 XZPIUAMBTUZRAQ-DYESRHJHSA-N 411.542 5.313 0 40 HKAB C[C@@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1)c1ccc(F)cc1 223081936 MGYHVCKETDPJIS-MRXNPFEDSA-N 420.459 5.049 0 40 HKAB CC(C)(Cc1ccccc1)NC(=O)COc1ccc2ccccc2c1Br 223257910 WRGBXXXHQMLNPU-UHFFFAOYSA-N 412.327 5.119 0 40 HKAB CCCc1ccc(OCCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1 223394179 RFDUWSVPIWLHEX-UHFFFAOYSA-N 405.563 5.740 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1COCC(C)C 224734813 UHDYPUNESSXQLW-UHFFFAOYSA-N 410.341 5.495 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NC3CCCCCC3)o2)c(OC)c1 224930002 VEMCFSNTUHPFBA-UHFFFAOYSA-N 420.509 5.478 0 40 HKAB CCOc1ccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 225533436 PPOXSXOAVZCQGK-UHFFFAOYSA-N 410.514 5.290 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225750205 LRRJWPQPRKNHOU-DEOSSOPVSA-N 406.611 5.501 0 40 HKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)C(C)C)c(C)c1 225764424 BDTSLFNAXXGKPP-SFHVURJKSA-N 414.924 6.659 0 40 HKAB CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1C(F)(F)F 225823153 NNGPQEMUGVDTFP-UHFFFAOYSA-N 403.485 5.910 0 40 HKAB Cc1cc(N)c(NC(=O)c2cccc(Br)c2)cc1N1[C@@H](C)CCC[C@H]1C 226330319 DOQPKRQYPWJZPU-GASCZTMLSA-N 416.363 5.359 0 40 HKAB CCN(CC)CCN=c1cc(-c2ccc(OC)c(OC)c2)oc2ccc(Cl)cc12 254741769 BYXDFYGTZYMBRR-UHFFFAOYSA-N 414.933 5.013 0 40 HKAB O=C(CCCc1ccc(F)cc1)N1CCC[C@@H](c2cccc(Nc3ccccn3)n2)C1 257204267 ATTLLCSNXHRLEE-HXUWFJFHSA-N 418.516 5.088 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2cc(F)ccc2C)cc1OCC 408617019 BBLOKNBDZONDCN-UHFFFAOYSA-N 410.283 5.336 0 40 HKAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccccc2-c2ccccc2)CC1=O 408659949 LAKHGJDQBKYVDQ-QFIPXVFZSA-N 413.517 5.437 0 40 HKAB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(C(=O)O)cc2)C1=O 408815490 QJWAWRXRHIFSLM-YLXKOEIFSA-N 421.542 5.439 0 40 HKAB CCCc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccccc1 408836743 UZBIBRQLNOMQKK-UHFFFAOYSA-N 401.329 5.777 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccccc1C(F)(F)F)N2 408996807 NEWGNOKRFFDPQQ-BVYCBKJFSA-N 409.407 5.875 0 40 HKAB COc1ccc(NCc2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 409109844 MPBXMSAPUFEXLY-UHFFFAOYSA-N 412.327 5.957 0 40 HKAB O=C1C(CCC(O)=C2C=C[C](F)C=C2)=C(c2ccc(O)cc2)N1c1ccc(F)cc1 1560410889 VTZGJDZUYUYMRE-UHFFFAOYSA-N 406.408 5.509 0 40 HKAB Cc1cc2c(ncn2C(C)C)c(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)c1C 1388526 WIALLEQSEVHITI-UHFFFAOYSA-N 412.342 5.342 0 40 HKAB O=S(=O)(c1ccccc1)c1cnc(-c2ccccc2)nc1-c1ccccc1Cl 1402826 XKSKLPKUIWAXQV-UHFFFAOYSA-N 406.894 5.297 0 40 HKAB O=C1OC(c2cccc3ccccc23)=N/C1=C/c1ccc(OCc2ccccc2)cc1 2055648 FJALNZWJTZQGKP-KOEQRZSOSA-N 405.453 5.763 0 40 HKAB Cc1ccc(C(C)C)c(OC(=O)c2cc(Br)ccc2Br)c1 2061725 ZWFSWIWEMPDPRJ-UHFFFAOYSA-N 412.121 5.863 0 40 HKAB COc1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccc(F)cc32)cc1 2072295 MQFNSIFBHVXCNT-UHFFFAOYSA-N 424.273 5.031 0 40 HKAB CCCCCCSc1nnc2c(n1)O[C@H](c1cccc(C)n1)Nc1ccccc1-2 2086911 MBXPDDWJVRJGTC-HXUWFJFHSA-N 407.543 5.418 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1OCc1ccccc1 2140844 PSZGKNRFPDSQBA-UHFFFAOYSA-N 415.411 5.935 0 40 HKAB Cc1ccc(C)c(-c2csc(Nc3ccc(I)cc3)n2)c1 2188338 FEILGGMULBNLPR-UHFFFAOYSA-N 406.292 5.775 0 40 HKAB CCOc1cccc(-n2c(SC)nc3sc4c(c3c2=O)CCc2ccccc2-4)c1 2261056 LAWQMJWFJJFCEO-UHFFFAOYSA-N 420.559 5.333 0 40 HKAB Cc1cc(SCC(=O)c2ccccc2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 2398723 DEICRGKWGSTKJN-UHFFFAOYSA-N 407.926 5.642 0 40 HKAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 2647609 ANKZRNBDFLAYCQ-HNNXBMFYSA-N 412.844 5.391 0 40 HKAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C(C)C)cc1 2651092 PUDJRVJDOXYEQO-KRWDZBQOSA-N 412.839 5.060 0 40 HKAB O=C(CCCSc1ccccc1)Nc1nc(-c2ccco2)c(-c2ccco2)s1 2651983 COJVIAYNALTYEO-UHFFFAOYSA-N 410.520 6.174 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccccc4C)ncnc32)cc1 2714700 JUKBTOWNPDRROX-UHFFFAOYSA-N 406.489 6.148 0 40 HKAB Cc1cc2nc(-c3cccnc3Cl)n(Cc3ccc(Cl)c(Cl)c3)c2cc1C 3133412 KGSNRHUZCBBGBB-UHFFFAOYSA-N 416.739 6.724 0 40 HKAB CC(C)c1ccc(Nc2nnc(SCc3csc(-c4ccccc4)n3)s2)cc1 3272076 HJXOJKNVFJVVQF-UHFFFAOYSA-N 424.620 6.821 0 40 HKAB CCCCC[C@@H](C)Cn1c(SCC(N)=O)nnc1-c1ccc(C(C)(C)C)cc1 3457854 TXOTXDWIVRRWNG-MRXNPFEDSA-N 402.608 5.036 0 40 HKAB CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)c1 3770797 HLEOGMROBPVBNZ-UHFFFAOYSA-N 400.478 6.234 0 40 HKAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(Cl)cc1Cl 4078913 LIDFMEIPDYRRIT-KRWDZBQOSA-N 412.114 5.454 0 40 HKAB O=C(NCc1ccncc1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H](c1ccccc1)N2 4450204 JSCCSZCZIMJDCI-JNNPWNNUSA-N 409.533 5.308 0 40 HKAB CC(C)OCCCNC(=O)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 4458460 DDHDYFBHPANCQY-IDSXKDCHSA-N 418.581 5.528 0 40 HKAB Cc1ccc(C(=O)C[C@@H](c2ccccc2)[C@@H](C(=O)OC(C)(C)C)c2ccccc2)cc1 5543448 HOSABUCFAHLBTK-AHWVRZQESA-N 414.545 6.477 0 40 HKAB Cc1nnc(CSc2nnc(Cc3cccc4ccccc34)n2C2CCCCC2)o1 6140589 NSJCGCIDGWVFGW-UHFFFAOYSA-N 419.554 5.511 0 40 HKAB CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 6226122 ATFHHDYZJLFYJC-HNNXBMFYSA-N 414.962 5.043 0 40 HKAB CCn1c(COc2cccc(C)c2)nnc1SCc1ccc(Cl)cc1Cl 6226135 VWLFDKVCPIGDQF-UHFFFAOYSA-N 408.354 5.785 0 40 HKAB CC(C)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc1 6346334 OLVKETOWJWNQML-WOJGMQOQSA-N 416.340 5.809 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 6553066 YIAHWVZLQBFXQH-ZDUSSCGKSA-N 417.336 6.381 0 40 HKAB O=C(c1ccco1)N(c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2s1 6638649 RPCIGKSJTTXDTN-UHFFFAOYSA-N 412.470 6.660 0 40 HKAB Cc1ccc(CN(Cc2ccco2)C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)o1 6747405 OFADZFQRRIIRQY-KRWDZBQOSA-N 401.890 5.448 0 40 HKAB CCOc1ccccc1NC(=O)c1nc(SCc2ccccc2C)ncc1Cl 6748156 QKERSWNZBURKMQ-UHFFFAOYSA-N 413.930 5.382 0 40 HKAB Cc1c(C(=O)N(Cc2ccco2)Cc2ccccc2Cl)oc2ccc(Cl)cc12 6810698 XRUYWAVSLGIWHL-UHFFFAOYSA-N 414.288 6.484 0 40 HKAB O=C1CS[C@H](c2ccccc2)N1c1nc(-c2ccc(Cl)cc2Cl)cs1 6927687 VIMGAGWGFWKMRY-QGZVFWFLSA-N 407.347 5.896 0 40 HKAB aggregator O=C1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CN1c1ccc(F)cc1 7544954 CYFYGIGKHLIYBV-LJQANCHMSA-N 405.517 5.666 0 40 HKAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccs1)N(C1CC1)C(c1ccccc1)=N2 7778805 VMLUQMKYNUHZDC-HSZRJFAPSA-N 410.546 5.888 0 40 HKAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1C(C)C 8500015 VKHAEVVBEOSSMQ-UHFFFAOYSA-N 407.841 5.292 0 40 HKAB COc1ccc(/C=C/c2nc3nc4ccccc4nc3n2Cc2ccccc2)cc1OC 8828373 XCKLECBIKYVONC-FYWRMAATSA-N 422.488 5.215 0 40 HKAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(OC)c(OC)c1 8870917 FNFJIALQDTVQLR-UHFFFAOYSA-N 420.387 5.191 0 40 HKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3o2)cc1 8902974 MULACWBFJZOVBX-UHFFFAOYSA-N 414.461 5.642 0 40 HKAB Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)Nc2c(C)cccc2C)n1 9250035 WQNLBFNRGCFTJF-UHFFFAOYSA-N 419.550 5.298 0 40 HKAB C[C@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)c1ccc(-n2ccnc2)cc1 9477313 QVYGMYXLXRXMPI-KRWDZBQOSA-N 403.457 5.081 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCc3nnc(-c4ccccc4)o3)c3ccccc3n2)cc1 9633515 XVKZAILMXMWALW-UHFFFAOYSA-N 421.456 5.617 0 40 HKAB Cc1c(C(=O)c2ccc(Cl)cc2)oc2cc(NC(=O)c3ccc(F)cc3)ccc12 9659926 ISVPILJMZPUDHG-UHFFFAOYSA-N 407.828 6.017 0 40 HKAB biogenic Cc1cc2nc(-c3ccc(CNC(=O)Cc4ccc(Cl)cc4)cc3)oc2cc1C 10120382 RILYFKPADOVQLO-UHFFFAOYSA-N 404.897 5.624 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)cc1 11726240 LQSHMNRTDZXJLM-UHFFFAOYSA-N 408.310 5.551 0 40 HKAB CCn1ccnc1SCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1 11890610 DZFYWLPDDSOCIK-UHFFFAOYSA-N 420.991 5.607 0 40 HKAB Brc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 13370396 KXYPXPRXGIIEDN-UHFFFAOYSA-N 422.347 7.063 0 40 HKAB COc1ccc(C)cc1NC(=O)CSc1nc2ccccc2n1-c1ccccc1 15980448 RDMWTIYTSSMLMX-UHFFFAOYSA-N 403.507 5.073 0 40 HKAB Clc1cc(Cl)cc(Nc2nc(-c3ccccc3Cl)nc3ccccc23)c1 17161676 ZZBWYBWLOYTWFG-UHFFFAOYSA-N 400.696 7.001 0 40 HKAB C[C@H]1[C@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 20388444 AWHYQLPXMIHKLX-KGRLDLLASA-N 420.336 5.695 0 40 HKAB COc1ccc(CN(C)[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1OC 22374007 PEDOBNXDLNEGIM-VWLOTQADSA-N 414.505 5.241 0 40 HKAB CN(CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)[C@H]1CCc2ccccc21 29483612 HPMYBBMGKNSAJX-AWEZNQCLSA-N 418.151 5.858 0 40 HKAB CC(=O)Nc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)c1 29511994 ORXPHAQLGJPPCP-UHFFFAOYSA-N 415.424 5.358 0 40 HKAB COc1ccccc1-c1noc(CSc2nccn2-c2ccc(C(C)C)cc2)n1 29902488 VZIBSVQJJJERQD-UHFFFAOYSA-N 406.511 5.347 0 40 HKAB O=C(COc1ccccc1)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 30826038 GKHGIWOQNWDTLP-UHFFFAOYSA-N 423.266 5.275 0 40 HKAB Cc1nc(-c2ccc(CC(=O)N(C)Cc3ccc(Cl)c(Cl)c3)cc2)cs1 40073626 WVKXWSGPDIZMHY-UHFFFAOYSA-N 405.350 5.626 0 40 HKAB CCCN(Cn1nc(-c2ccncc2)n(CCC)c1=S)[C@H]1CCc2ccccc21 58162841 OEXPBPTXRJENSD-NRFANRHFSA-N 407.587 5.243 0 40 HKAB COCc1nccc([C@@H]2CCCN(C(=O)c3cc4sc5ccccc5c4s3)C2)n1 58196153 TZYNDSWNISCJGG-CQSZACIVSA-N 423.563 5.072 0 40 HKAB Cc1ccc(NC(=O)Cn2c(C)c(C(=O)C(F)(F)F)c3ccccc32)cc1Cl 59109441 USWWPXRVQHTILX-UHFFFAOYSA-N 408.807 5.295 0 40 HKAB CCCCOc1ccc(-c2cc3c(=O)n(Cc4cc(C)ccc4C)ccn3n2)cc1 64977369 YVWIQJBPQIPHLN-UHFFFAOYSA-N 401.510 5.007 0 40 HKAB CC1(C)[C@@]2(C(=O)Nc3cccc4ccccc34)CC[C@@]1(C)c1nc3ccccc3nc12 100753732 UREGOTRMGKUSQO-SVBPBHIXSA-N 407.517 5.751 0 40 HKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CSc2nn(-c3ccccc3)c(=S)s2)C1 102399296 VQIRLNGTQFYVIN-MGPUTAFESA-N 419.641 5.183 0 40 HKAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c12 104066227 JFULHIBXQNDSLL-UCKNYWNBSA-N 414.553 5.161 0 40 HKAB O=C(CCC(=O)c1ccc(Cl)s1)Nc1ccccc1SCC(F)(F)F 105666461 ZYDVERXEFFHARR-UHFFFAOYSA-N 407.866 5.658 0 40 HKAB CC1=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)[C@@]2(C)CC[C@H]1O 118931112 BWKFEXIGKBCPIS-NBRYEXAXSA-N 400.691 7.779 0 40 HKAB c1ccc(COC[C@@H]2SC[C@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)cc1 136742337 IISDOLHHPNAZII-GSDHBNRESA-N 420.574 5.489 0 40 HKAB Cc1c(C(=O)NCCOc2ccc(-c3ccccc3)cc2)n(C)c2ccc(Cl)cc12 141597444 SCPUVSSNPRALNX-UHFFFAOYSA-N 418.924 5.616 0 40 HKAB O=C(c1cc2ccccc2s1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 220925994 UQNGHUMGTLSTTI-AWEZNQCLSA-N 409.536 5.108 0 40 HKAB CCOc1ccc(CCCNC(=O)CSCc2ccc(Cl)cc2Cl)cc1 222727478 MUSUHJQRUFDBPS-UHFFFAOYSA-N 412.382 5.374 0 40 HKAB CC[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223125010 GBMVMMUETSWJEA-JOCHJYFZSA-N 402.003 6.359 0 40 HKAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 224727714 PLTWWVHXMMAZCM-OAQYLSRUSA-N 422.613 5.169 0 40 HKAB COCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1Cl 225527937 VOFBVBHCQPRPCX-UHFFFAOYSA-N 408.325 5.469 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C(=O)OC 225679872 CIVBLHDQNNUCOV-SFHVURJKSA-N 409.526 5.409 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](/C=C\c1ccccc1)C(=O)c1ccccc1 245240784 SQYUSQQNCYCPRO-DBGYELTGSA-N 404.550 6.203 0 40 HKAB C[C@@H]1[C@@H](N2C(=O)C3=C(CCCC3)[C@@H]2N(c2ccccc2)c2ccccc2)CCC[C@H]1C 257173008 AANXUIWCACPJNG-KXLSXUBNSA-N 414.593 6.688 0 40 HKAB CCCCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccccc2)n(CC(C)C)n1 257299803 RRQNJDIRKAIAIV-UHFFFAOYSA-N 406.526 5.679 0 40 HKAB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]12C 257348020 ARYTXMNEANMLMU-JHJZPWMGSA-N 402.707 7.715 0 40 HKAB CCOC(=O)c1c(NC(=O)CN(C2CCCCC2)C2CCCCC2)sc(C)c1C 408580578 CPJPQOQOCALOLI-UHFFFAOYSA-N 420.619 5.448 0 40 HKAB Cc1cc(Br)ccc1NCc1ccc(OCc2ccccc2Cl)cc1 408606178 HMZDPKYHVNWQBR-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)cc2)c1 408642317 OAHKVQOCHOWVBX-IBGZPJMESA-N 400.478 5.087 0 40 HKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Cl)cc2)cc1 408674949 FJNXCMMTIISMCO-UHFFFAOYSA-N 418.880 5.480 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccccc2)c(C)c1 408698373 NAAPYRDBNYGXPX-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COc1ccc2c(Cl)c(C(=O)Nc3cccc(Cl)c3Cl)sc2c1Cl 408970325 GACURQUNKZMQOV-UHFFFAOYSA-N 421.132 6.776 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc(Br)cc1)N2 409000393 SVLXFYGPUFHENC-HJNYFJLDSA-N 420.306 5.618 0 40 HKAB CCCOc1c(Br)cc(Br)cc1CNc1ccccc1C 409116916 MKUHBGUSOIJJDI-UHFFFAOYSA-N 413.153 5.921 0 40 HKAB CCc1cccc2c(/C=C3\SC(=O)N(CC)C3=O)cn(Cc3ccc(F)cc3)c12 409130204 IRXGMTLSINPVCC-NDENLUEZSA-N 408.498 5.447 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)CSc2ccc(Br)cc2)cc1 409177286 CNAAXNMKKDWBKE-UHFFFAOYSA-N 422.344 5.137 0 40 HKAB Fc1ccccc1COc1c(Cl)cc(CNc2ccc(Cl)cc2)cc1Cl 409184319 XJJDJVOSVRWLFL-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB CCOc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(F)cc3)sc2C)cc1 409204500 HHYZMACLAHOVFN-UHFFFAOYSA-N 412.486 5.258 0 40 HKAB O=C1N/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1Cc1ccccc1 409206657 ZNGUQMXTBIMXNB-GZTJUZNOSA-N 413.260 5.346 0 40 HKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(Cl)cc3)n2C)cc1 409206839 MBPKSZGKJDYSQQ-LCUIJRPUSA-N 418.949 6.124 0 40 HKAB CC[C@H]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(N)=O)C1 673094 VYVHNUVQANUPRT-JTQLQIEISA-N 418.971 5.482 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1 674556 WYYNHWHULOYRJO-UHFFFAOYSA-N 402.494 5.388 0 40 HKAB COC(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1 992525 CSVADAVAPAOWCG-UHFFFAOYSA-N 405.690 5.492 0 40 HKAB Cc1ccc(CN2C(=O)C(C)(C)Oc3ccc(C(=O)Nc4ccc(C)cc4)cc32)cc1 1342444 JRLWBBZVDGVWAX-UHFFFAOYSA-N 414.505 5.260 0 40 HKAB CCCN(C(=O)c1ccc(-c2ccccc2)cc1)c1nnc(-c2ccncc2)s1 1376713 RUKHATNKEYBUOY-UHFFFAOYSA-N 400.507 5.324 0 40 HKAB Cc1cccc2cc(CN(C(=O)Nc3ccccc3Cl)C3CCCC3)c(=O)[nH]c12 1378153 LCYGDHQDOWOEKP-UHFFFAOYSA-N 409.917 5.467 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)c(C)c1 1851738 BUJOAMGSAKQGPC-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB COc1ccc(C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 1867076 TXONTFRBXOCPBF-UHFFFAOYSA-N 400.472 6.181 0 40 HKAB COc1ccc(/N=c2\cc(-c3ccc(OC)c(OC)c3)oc3ccc(C)cc23)cc1 1927741 WWOCEQDCSJCCDT-YYADALCUSA-N 401.462 5.666 0 40 HKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CN1CCCCCC1 1930839 NVTHLNKCICXMKC-UHFFFAOYSA-N 420.962 5.060 0 40 HKAB Cc1ccc(C(C)C)cc1OC(=O)c1cc(Br)ccc1Br 2069886 GRSVVTQYFVPYAL-UHFFFAOYSA-N 412.121 5.863 0 40 HKAB CCCCc1ccc(N2COc3c(cc4c(CCCC)cc(=O)oc4c3C)C2)cc1 2123833 NSEZQIOSQHLQSA-UHFFFAOYSA-N 405.538 6.143 0 40 HKAB biogenic Cc1ccc(-c2c(NC(=O)C3CCCCC3)n(-c3ccccc3)nc(C)c2=O)cc1 2203139 AGYOAYPOTBHWGB-UHFFFAOYSA-N 401.510 5.035 0 40 HKAB O=C1/C(=C/Nc2ccccc2O)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 3201642 QDGVFMPDSIGTIN-QGOAFFKASA-N 424.378 5.051 0 40 HKAB CC(C)c1ccccc1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 3320204 HXGFICSOWBVAGM-UHFFFAOYSA-N 405.878 5.613 0 40 HKAB O=C(CCSc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)s2)cs1 3328959 KSUKYAKXFBYXJP-UHFFFAOYSA-N 415.392 6.299 0 40 HKAB COc1ccc(-c2cc3ccccc3n2C[C@H](O)CNc2ccc(C)cc2C)cc1 3628218 PAKMBEUEXCYTCY-JOCHJYFZSA-N 400.522 5.407 0 40 HKAB CN(C)C[C@@H]1CCc2cc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)ccc2C1 3972273 GXAQELJVODWLDD-GOSISDBHSA-N 402.513 5.412 0 40 HKAB in-vivo FC(F)(F)c1cnc(-c2nnc3c(Cl)cc(C(F)(F)F)cn23)c(Cl)c1 4002065 DEZGMKKACGXLCR-UHFFFAOYSA-N 401.097 5.136 0 40 HKAB CCC(=O)N(CC[C@@]1(c2ccccc2OC)CCO[C@@H](C(C)C)C1)Cc1ccccc1 4043608 MSKPBDGFSCBHIQ-XNMGPUDCSA-N 423.597 5.597 0 40 HKAB biogenic Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2C(F)(F)F)CSC3)c(C)c1 4176082 DULKTWQTRZQXLP-UHFFFAOYSA-N 417.456 5.507 0 40 HKAB O=C(c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1 4350452 JFHJQHWMNMLTJI-OAQYLSRUSA-N 405.295 5.441 0 40 HKAB Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c1 4592941 BPWRUEGWBCHCIQ-UHFFFAOYSA-N 409.283 5.262 0 40 HKAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 4698413 AIGBNCFLBMVSQZ-UHFFFAOYSA-N 402.538 5.792 0 40 HKAB CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4853975 NWBMDXWRCSBCDF-LADGPHEKSA-N 404.897 5.981 0 40 HKAB Cc1cccc(C(=O)N[C@H](C)c2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 5545757 SJWGGLLXGOAZHU-QGZVFWFLSA-N 403.913 5.537 0 40 HKAB Cc1ccc(OCCSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)cc1 5624127 BEDWRZSYFIONJQ-UHFFFAOYSA-N 415.562 6.031 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nnc(NCc2ccccc2)s1 5786874 LDFARCFUSMTUHX-BPQIPLTHSA-N 419.616 5.246 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 6224228 PADGULLLMUHXQL-LLVKDONJSA-N 414.760 6.795 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1Cc3ccccc3[C@@H]21 6548794 SABWOVREXJFSPA-JRGCBEDISA-N 410.300 6.163 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 6553065 YIAHWVZLQBFXQH-CYBMUJFWSA-N 417.336 6.381 0 40 HKAB Cc1cccc(C)c1OCC(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 6732789 TUCNKBCYJACQHB-UHFFFAOYSA-N 417.436 5.437 0 40 HKAB CCCN(C(=O)c1ccccc1C)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 6826568 FOVHRQJGANKYDA-UHFFFAOYSA-N 418.606 7.223 0 40 HKAB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 7929106 KOYGMIQQYJTZPI-IBGZPJMESA-N 401.506 5.486 0 40 HKAB Cc1cccc(C)c1OCc1nnc(SCc2cscn2)n1-c1ccccc1 8156470 YBBOEFJOFFXCNO-UHFFFAOYSA-N 408.552 5.212 0 40 HKAB Cn1c(SCC(=O)c2ccc(Oc3ccccc3)cc2)nnc1-c1ccccc1 8297942 FAPPGFPTGMYIFY-UHFFFAOYSA-N 401.491 5.249 0 40 HKAB O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)Nc1ccc2c(c1)CCC2 8825370 SLSPAYPYCVCMBL-UHFFFAOYSA-N 417.556 5.022 0 40 HKAB CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 8843842 UGPUPNDWNNZEJQ-GOSISDBHSA-N 420.365 5.042 0 40 HKAB O=C1/C(=C\c2cccc(Oc3ccccc3)c2)N=C(c2ccccc2)N1Cc1ccco1 8955753 QJGADDVZKPCBRF-XIEYBQDHSA-N 420.468 5.902 0 40 HKAB Cc1ccc(-c2nnc(SCC(=O)N(Cc3ccco3)C3=CCCCC3)o2)cc1 9864383 UXHSYEZFKMOKLC-UHFFFAOYSA-N 409.511 5.217 0 40 HKAB CC(C)CCOc1ccccc1C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1 10280223 BNAOZHBHWZBIFK-UHFFFAOYSA-N 408.542 5.426 0 40 HKAB CCOc1ccc(N2C(=O)/C(=C\Nc3c(F)cccc3F)c3ccccc3C2=O)cc1 12311930 CJFLRLPAPLTAPC-RGEXLXHISA-N 420.415 5.004 0 40 HKAB Cc1nc2sc([C@H](O)c3ccccc3)c(NC(=O)c3ccccc3)c2c(C)c1Cl 12444718 OJELRXSYWVVPNU-HXUWFJFHSA-N 422.937 5.901 0 40 HKAB Cc1ccc2c(c1)-c1c(ss/c1=N\c1cc(Cl)ccc1Cl)C(C)(C)N2 12462549 ZHBKTQZEGPKDIA-PYCFMQQDSA-N 407.391 6.985 0 40 HKAB COc1ccc(O)c(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1 12578284 GOEPMIUVAZXXIZ-UHFFFAOYSA-N 416.527 6.209 0 40 HKAB O=C(c1ccc(Cl)cc1)[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN12 13616349 KSOAGQYWXOQQHX-OFNKIYASSA-N 423.299 5.746 0 40 HKAB CC1=Nc2ccccc2N=C(NC(=O)CSc2ccccn2)[C@H]1c1ccc(F)cc1 14607992 NEXUADRUVUUSAW-JOCHJYFZSA-N 418.497 5.049 0 40 HKAB Cc1c(C(=O)Nc2nc3c(s2)C[C@H](C)CC3)oc2cc(Br)ccc12 15833251 PKRKEGGHYGVMQK-SECBINFHSA-N 405.317 5.337 0 40 HKAB O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc(F)c1 17087709 LZPOLJYLLNFUTB-UHFFFAOYSA-N 407.495 5.229 0 40 HKAB O=C(NC(=S)Nc1ccc(CN2CCCC2)cc1)c1cccc2c(Cl)cccc12 17093746 TXSCMJOSDXIXLP-UHFFFAOYSA-N 423.969 5.216 0 40 HKAB CCSc1nnc(SCc2cn(-c3ccccc3)nc2-c2ccccc2)s1 19297541 CTKQIOSTVVGSFZ-UHFFFAOYSA-N 410.593 5.795 0 40 HKAB CCOc1ccc(CN2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2C)cc1 19533260 VLUUFMZXERLAPA-DEOSSOPVSA-N 402.542 5.281 0 40 HKAB COc1cccc2ccc(CN3CCCC[C@H]3c3nnc(-c4cccs4)o3)nc12 19568468 AJOIAHYPKXHEBL-KRWDZBQOSA-N 406.511 5.082 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C 19718288 ANBQFYVBKARABQ-AWEZNQCLSA-N 422.916 5.725 0 40 HKAB C[C@@]1(C2CCN(C(=O)CC3CCCC3)CC2)CCCCN(Cc2ccccc2)C1=O 19744970 VXDMTCMVAWKPBR-SANMLTNESA-N 410.602 5.024 0 40 HKAB COc1cccc(CNCC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 20365339 IHESIDBSDQSQLP-UHFFFAOYSA-N 402.321 5.028 0 40 HKAB Cc1cc(C)cc(OCCSc2nc3ccc(NC(=O)C(C)C)cc3s2)c1 20895158 MCDGPGWOMMEEPL-UHFFFAOYSA-N 400.569 5.679 0 40 HKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)COc4cccc(C)c4C)c3)oc2cc1C 21578814 LNQWSGQKHBDSJA-UHFFFAOYSA-N 414.505 6.054 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5)cc4)ccc3o2)c1 21579107 XEBVKUHSHOSBFO-UHFFFAOYSA-N 420.468 6.423 0 40 HKAB Cc1cc(Br)ccc1NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C 22516675 MLFZSDLSPNNKLF-UHFFFAOYSA-N 404.695 5.157 0 40 HKAB COc1ccc2nc(NC(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)sc2c1 23294521 IZFWEDBKTJRQNI-UHFFFAOYSA-N 409.515 5.006 0 40 HKAB CC(C)C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 23762515 QCLFUDXLJNWJEP-FQEVSTJZSA-N 419.491 5.220 0 40 HKAB Cc1noc(-c2ccc(C(=O)N(CCc3cccs3)Cc3cccs3)cc2)n1 25848079 ZJUCEAZKEMGXDR-UHFFFAOYSA-N 409.536 5.053 0 40 HKAB Cc1cc(O[C@H](C)C(=O)N(Cc2cccs2)c2ccccn2)cc(C)c1Cl 27739944 XTXWILXZZVXQET-MRXNPFEDSA-N 400.931 5.414 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(=O)c2cc(Cl)ccc2o1 27740559 ACNOBQRHCJYAQD-UHFFFAOYSA-N 402.155 5.371 0 40 HKAB Cc1ccc2c(C)c(C(=O)N(Cc3cccc(Cl)c3)c3ccccn3)oc2c1C 28293731 JPFUHQRXLOQCCK-UHFFFAOYSA-N 404.897 6.253 0 40 HKAB C[C@@H](c1cccs1)N(C)C(=O)COc1ccc2ccccc2c1Br 29780830 QTGQMEXJQFDLLM-ZDUSSCGKSA-N 404.329 5.262 0 40 HKAB CCOC1=CC2=CC[C@H]3[C@@H]4CC[C@](OC(C)=O)(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 34104640 GLUPBNAYNWZRSJ-RFXJPFPRSA-N 400.559 5.370 0 40 HKAB in-vitro CCCCN1C(=O)S/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C1=O 35042156 OJYGXCDQPFUDRQ-CPNJWEJPSA-N 401.915 5.755 0 40 HKAB CC1CCN(Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)CC1 57740287 IIETXYYBRSZARZ-UHFFFAOYSA-N 416.956 5.973 0 40 HKAB Cc1ccc2cc(C(=O)NCc3ccc(Oc4ccc(F)cc4)nc3)c(C)nc2c1 58014313 LTESISLGYYXHOW-UHFFFAOYSA-N 401.441 5.108 0 40 HKAB CN(C)C(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccnc3ccccc23)C1 72352491 RMATXIAXRNDATK-SFHVURJKSA-N 415.562 5.141 0 40 HKAB O=C(Nc1ccc(CNc2ccccc2)cc1)c1cccc(OC[C@@H]2CCCO2)c1 78994883 RXQXAPHHYYHGHZ-DEOSSOPVSA-N 402.494 5.109 0 40 HKAB O=Cc1ccc(-c2ccn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1 91690268 ZWQXARXXZJLCIN-UHFFFAOYSA-N 414.508 6.203 0 40 HKAB CC[C@@H](NC(=O)Nc1cccc(Oc2ccccn2)c1)c1nc(-c2ccccc2)c[nH]1 95460976 KNUGCDIDGTURPF-HXUWFJFHSA-N 413.481 5.537 0 40 HKAB C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1nccs1 141984956 MOJMEFIHXZGVMC-AWEZNQCLSA-N 406.536 5.320 0 40 HKAB O=C(c1cc(Cl)ccc1OCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1 219763250 RPJAQIOSIUGSCW-UHFFFAOYSA-N 424.903 5.021 0 40 HKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 222890326 GCRXTZBSEPXFMV-RPWUZVMVSA-N 412.562 5.408 0 40 HKAB CCc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 223076073 TXJWWPMFQRGWQJ-UHFFFAOYSA-N 418.924 5.748 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)NCCOc1cccc2ccccc12 223570149 HCOSAWCLQNFXEI-UHFFFAOYSA-N 420.361 5.575 0 40 HKAB COc1cccc(NC(=O)c2ccc(OC)c(COc3ccc(C(C)(C)C)cc3)c2)c1 224182617 HAKIUQUFYBXWHR-UHFFFAOYSA-N 419.521 5.833 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2C)cc1COc1ccc2ccccc2c1 224639508 CJALLGLQFQJISP-UHFFFAOYSA-N 411.501 6.378 0 40 HKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)Nc1ccc(C(C)C)cc1 224965803 HTCCYPBUCNYHQR-JCMHNJIXSA-N 404.535 5.590 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCCc3ccccc3)c2)cc1 225282353 QWJUCECFUSDONJ-UHFFFAOYSA-N 416.590 5.744 0 40 HKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1 225748136 QCJDZRSJAYHWLA-QFIPXVFZSA-N 413.986 5.848 0 40 HKAB COc1cccc(-c2nnsc2C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 225766584 JUBGYCWCPVOLCM-UHFFFAOYSA-N 403.463 5.258 0 40 HKAB CCCCOc1ccc(NC(=O)C2(OCC)CCCCCC2)cc1C(=O)OCC 225830605 VWWJXNPABJBLFS-UHFFFAOYSA-N 405.535 5.110 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3c(C)cc(N)cc3Br)o2)cc1Cl 226756247 QXCYBBDDOOMNLE-UHFFFAOYSA-N 419.706 5.814 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260817049 VPWMWOZJYURSRM-RDPSFJRHSA-N 404.595 5.111 0 40 HKAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccccc1OCc1ccccc1 408819486 YYSMSKOXZXKHNG-UHFFFAOYSA-N 405.474 5.168 0 40 HKAB COc1ccc(CSCC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 408924448 OIXAWNVRBZSEGY-UHFFFAOYSA-N 423.603 6.168 0 40 HKAB COc1ccc2c(c1)CCc1sc(NC(=O)c3ccc(Cl)cc3Cl)nc1-2 409058404 XPMFBWPZKZBVTK-UHFFFAOYSA-N 405.306 5.476 0 40 HKAB Clc1ccc(COc2ccc(Cl)cc2-c2nc3ccccc3s2)c(Cl)c1 409191694 KWVKBTMNOLNDGS-UHFFFAOYSA-N 420.748 7.503 0 40 HKAB CC(=O)O[C@@H]1CC=C(C)CCCC(C)(C)[C@H](OC(=O)c2ccc(O)cc2)C=C1C 1559556402 OLNKZJLTVQZYLK-FGZHOGPDSA-N 400.515 5.342 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C)cc4C)sc3n2)c1 661243 UTCOWBTURZNOOZ-UHFFFAOYSA-N 403.507 5.423 0 40 HKAB CCOc1ccc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)sc2c1 704940 VMOXRAXLIQATAA-UHFFFAOYSA-N 412.458 5.445 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccccc1F 826358 LMMUEGQTVWQBCQ-UHFFFAOYSA-N 411.230 5.649 0 40 HKAB CCN(CC)C(=O)c1ccc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2c1 911947 ADDWDACYCLDCJJ-UHFFFAOYSA-N 422.337 5.337 0 40 HKAB COc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 947919 JOHYDNBMGWOZNE-QFIPXVFZSA-N 414.910 5.137 0 40 HKAB Cc1ccc(-c2csc3ncn([C@@H](C)C(=O)OCc4ccccc4)c(=O)c23)cc1C 952341 PMQPMIOXEXWHND-KRWDZBQOSA-N 418.518 5.046 0 40 HKAB CC[C@H](C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc3c(c2)OCO3)cc1 1307153 GKHUABMPSKPWAG-FYSMJZIKSA-N 400.478 5.700 0 40 HKAB CSc1nc(Oc2cccc(C(F)(F)F)c2)c2cnn(-c3ccccc3)c2n1 1392704 MUVYLYHWFCNRAP-UHFFFAOYSA-N 402.401 5.349 0 40 HKAB COc1ccccc1-c1c(C)oc2cc(OC(=O)/C=C/c3ccccc3)ccc2c1=O 1448068 HMTZCQNODGJSSZ-NTCAYCPXSA-N 412.441 5.396 0 40 HKAB CC[C@@](C)(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)OCc1cccnc1 1573374 VKNSAVOURPMBRN-XMMPIXPASA-N 409.913 5.617 0 40 HKAB in-man Fc1ccc(-c2[nH]c(-c3ccc(F)c(Br)c3)nc2-c2ccccc2)cc1 2280227 KRVGUWOOHFCDRQ-UHFFFAOYSA-N 411.249 6.451 0 40 HKAB COc1ccc(-c2c(-c3ccc(Cl)cc3)c3cc(Cl)c(C)cc3oc2=O)cc1 2576855 NQDPZHKNCZFETE-UHFFFAOYSA-N 411.284 6.751 0 40 HKAB biogenic CCOC(=O)c1ccccc1NC(=O)c1ccc(-c2nc3ccccc3s2)s1 2699339 YOPFTVJLCXWIDX-UHFFFAOYSA-N 408.504 5.454 0 40 HKAB Cc1ccc(OCc2ccc(-c3nc4c5c(C)c(C)sc5ncn4n3)o2)c(C)c1 2791609 NBLOKJXDZFXETC-UHFFFAOYSA-N 404.495 5.412 0 40 HKAB CN(C(=O)CSc1ccc2c3c(cccc13)CC2)C(c1ccccc1)c1ccccc1 3348691 ZGSJUYHZCFIBIP-UHFFFAOYSA-N 423.581 6.279 0 40 HKAB Cc1cc(C)c(OCC(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)c(C)c1 3655427 RQHIDXFQVDVZHU-UHFFFAOYSA-N 413.473 5.607 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1 3655448 RROHFVKWJRKTSZ-UHFFFAOYSA-N 417.436 5.842 0 40 HKAB C[C@]12CC[C@H](OC=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(C#Cc3ccccc3)=CC[C@H]12 3843891 AHMJMFJZNJAALU-PKNCJAFDSA-N 402.578 6.159 0 40 HKAB biogenic CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@@]21C 4040367 YSWDCQJTPYALJE-LRDUIPOJSA-N 404.635 6.742 0 40 HKAB Cc1ccccc1CSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl 4444747 GXJYMDVPKCUMCJ-UHFFFAOYSA-N 406.938 5.699 0 40 HKAB Cc1[nH]c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nc1Cc1ccccc1 4492507 QNKJDBNUNHLFMA-CYBMUJFWSA-N 403.910 5.221 0 40 HKAB COCCN(Cc1cc2cc(C)ccc2nc1Cl)C(=O)Nc1ccc(F)cc1 4880635 WDLMECKLQFXLAS-UHFFFAOYSA-N 401.869 5.016 0 40 HKAB COCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(=O)Nc1ccccc1C 4880833 RYNPBNDKHMHOMD-UHFFFAOYSA-N 411.933 5.494 0 40 HKAB C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12)c1ccccc1 6649080 CBBCDWKFNJCAQQ-MRXNPFEDSA-N 417.509 5.405 0 40 HKAB CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCCOc1ccccc1C 6961187 MDMDZTDLDVWDDG-LTGZKZEYSA-N 415.489 5.344 0 40 HKAB O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCC(Cc2ccccc2)CC1 7700111 VNZUQJAXENAKKL-UHFFFAOYSA-N 419.952 6.014 0 40 HKAB O=C(Nc1ccnn1Cc1cccs1)[C@@H](Sc1ccccc1)c1ccccc1 7987723 XOCLIZXTJHDJNG-NRFANRHFSA-N 405.548 5.465 0 40 HKAB Cc1ccc(Sc2ncccc2COC(=O)Nc2cccc(C(F)(F)F)c2)cc1 8781976 QAMHNCOXHMOSQO-UHFFFAOYSA-N 418.440 6.309 0 40 HKAB CCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccccc1 8872043 DSVLUSAAOICNKA-UHFFFAOYSA-N 421.305 5.546 0 40 HKAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1nnc(-c2cccs2)o1 9336135 AABWJHNRRVXFKL-NSHDSACASA-N 413.503 5.384 0 40 HKAB O=C(Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1c(F)cccc1Cl 9455951 ZBXYCOHBSIHZEC-UHFFFAOYSA-N 424.907 5.569 0 40 HKAB CCCCC(=O)Nc1ccc(-c2nc3cc(CC)cc(Br)c3o2)cc1 10119746 FRVONAQQDCVDRM-UHFFFAOYSA-N 401.304 5.948 0 40 HKAB Cc1cc(C)c2sc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)nc2c1 10381592 MNOBAABCGXXSHZ-VOTSOKGWSA-N 422.579 5.308 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)cc1 12798645 CNBZCSQEHCMLBQ-UHFFFAOYSA-N 418.541 5.411 0 40 HKAB CCOCN(C(=O)Cn1c(-c2ccco2)nc2ccccc21)c1c(C)cccc1CC 13030674 XOSDSSCNYLOLPA-UHFFFAOYSA-N 417.509 5.194 0 40 HKAB COc1ccc([C@H]2CN(C)C[C@@H]2C(=O)c2ccc(C3CCCCC3)cc2)cc1Cl 13396439 LSZXSJRLEMPHQV-YADHBBJMSA-N 411.973 5.924 0 40 HKAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1C 14398687 WBIZDGYQXKPCDQ-XMMPIXPASA-N 421.562 6.092 0 40 HKAB CC(C)(C)OC(=O)NCc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 16063953 HJOGIFUQCGWIOG-UHFFFAOYSA-N 424.497 5.005 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1 17090372 IAAGDEFAXUSZKD-UHFFFAOYSA-N 415.518 5.492 0 40 HKAB Cc1cccc(-c2n[nH]c(SCc3nnc(-c4ccc(C(C)(C)C)cc4)o3)n2)c1 19927569 AAMAFDMJEFXGCK-UHFFFAOYSA-N 405.527 5.420 0 40 HKAB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1cc(Cl)cc(Cl)c1 19928200 KPEWZVCSQBXMFQ-UHFFFAOYSA-N 413.717 5.163 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(-c2ccccc2)cc1 20138879 HSDGJLHYOFKYKT-UHFFFAOYSA-N 403.865 6.012 0 40 HKAB Cc1ccc(-n2nc3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3n2)cc1 20609944 RUMRBFYMJMEJJF-UHFFFAOYSA-N 418.500 5.500 0 40 HKAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(C[C@@H](C)c1ccccc1)CO2 20610391 UPLOAVXAHJOQJB-GOSISDBHSA-N 411.501 5.724 0 40 HKAB biogenic CC(C)c1n[nH]c(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n1 23175045 PRKMSQBLLISWGA-MRXNPFEDSA-N 420.460 5.419 0 40 HKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 28290805 KVPJEYHTYLJUIA-HXUWFJFHSA-N 416.855 5.404 0 40 HKAB O=C(Nc1ccnn1Cc1c(Cl)cccc1Cl)c1cc(F)c(F)c(F)c1F 31773190 QGAVABWTHNGQJP-UHFFFAOYSA-N 418.177 5.047 0 40 HKAB O=C(CSc1ccc2ccccc2c1)Nc1ccc(I)cc1 32691906 GVRVNTSGCPHLFX-UHFFFAOYSA-N 419.287 5.175 0 40 HKAB COc1ccc(-c2nn3c(N[C@@H](C)c4ccccc4)cc(C)nc3c2C)cc1OC 32929397 SDOGPNDPHHVJMF-KRWDZBQOSA-N 402.498 5.203 0 40 HKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2cccc(F)c2)cc1 40486014 DADPRVFNMKHPPU-JOCHJYFZSA-N 407.872 5.840 0 40 HKAB CC[C@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(C)cc1 44935775 VRXNIKQEBQRREJ-QFIPXVFZSA-N 419.396 5.781 0 40 HKAB O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1ccccc1F 46022358 HXMUCPXLGGTILK-UHFFFAOYSA-N 401.532 5.121 0 40 HKAB CCOC(=O)N[C@](c1nc2ccccc2s1)(c1c[nH]c2ccccc12)C(F)(F)F 48229584 MZNAFXARNLHWCN-IBGZPJMESA-N 419.428 5.330 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1C 49005129 WHAXVAPNLGOSNZ-GOSISDBHSA-N 406.505 5.534 0 40 HKAB O=C(c1cnc2ccccc2c1Nc1ccc(Cl)c(Cl)c1)N1CCSCC1 64658263 UPAYCTSNRWGTKW-UHFFFAOYSA-N 418.349 5.474 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1CCc2c(Cl)cccc21 65747255 ILQWWKUODYDBCS-MRXNPFEDSA-N 405.256 5.513 0 40 HKAB CC(=O)Nc1ccc(CN2CCC[C@@H](c3cccc(Cc4cccc(F)c4)n3)C2)cc1 72349943 IMDBENBAJWYEJI-JOCHJYFZSA-N 417.528 5.150 0 40 HKAB Fc1cccc(-c2nc3c(s2)CN(Cc2ccc(Oc4ncccn4)cc2)CC3)c1 72392030 LTPICYNQUVNOFJ-UHFFFAOYSA-N 418.497 5.090 0 40 HKAB O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 95562157 YAANMNCTAYZJFO-UHFFFAOYSA-N 400.217 5.612 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccc(-c4ccc(F)cc4)cn3c2-c2cocn2)nc1 96267032 CFBKLRHPJTVVMS-UHFFFAOYSA-N 412.424 5.356 0 40 HKAB CCOc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1c1ccccc1 98086375 IPJYRGBHLYMAMK-QFIPXVFZSA-N 421.338 6.204 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 107040590 YVLRZGKDXKKMOW-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)[C@@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914761 UJDBZVSBLYRMDU-GDIQUEQZSA-N 418.706 6.830 0 40 HKAB CC[C@@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(OC)cc1 216435161 NUPSDQCTWLAFCC-XMMPIXPASA-N 405.563 6.177 0 40 HKAB O=C(Nc1cccc(Br)c1)c1cccc(OCc2ccccc2Cl)c1 216571712 VAFKIZHJCZWPCT-UHFFFAOYSA-N 416.702 5.934 0 40 HKAB CCOc1ccc(CCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 219846300 LAWCLYCBHMZFJV-UHFFFAOYSA-N 423.940 5.680 0 40 HKAB Cc1cc(C)c([C@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1C 223476069 GRKDYEKYBXRJKY-IBGZPJMESA-N 407.941 6.335 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 223659393 XMHSVHFOGHYMQU-NRFANRHFSA-N 403.950 5.299 0 40 HKAB CC(C)(C)c1ccccc1OCCNC(=O)CSCc1c(F)cccc1Cl 223670682 LOBNRVWLGHJFBL-UHFFFAOYSA-N 409.954 5.205 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1cc(C)cc(C)c1C 224275790 MILYDMDIGMJTCW-UHFFFAOYSA-N 403.522 6.069 0 40 HKAB CCOc1ccc(-c2cnc(CCC(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 224858511 IRWHISBXKLUOCM-UHFFFAOYSA-N 404.388 5.330 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1C1CCCC1 225009970 XNHGSOLUQKHEOD-FCHUYYIVSA-N 422.985 5.441 0 40 HKAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC(C)C)cc1 225334665 HADQAFYZSNRFBM-UXHICEINSA-N 409.580 5.416 0 40 HKAB COC(=O)c1ccc(C)c(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 225509927 DZOIBPPYHUHNCY-JOCHJYFZSA-N 404.535 5.166 0 40 HKAB COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ncccc34)CCCC2)cc1 225865006 XRDWYRNGKXRCDY-UHFFFAOYSA-N 404.510 5.481 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(Br)cc2)cc1N1C[C@H](C)C[C@@H](C)C1 226330523 PNOIODLNBCUUJU-ZIAGYGMSSA-N 416.363 5.074 0 40 HKAB O=C1O[C@]2(C[C@H](c3ccccc3)[C@@H]3CCCC[C@]34Nc3ccccc3N24)c2ccccc21 247314357 JQKXIOGQANFJIF-JGZRHYTASA-N 422.528 6.016 0 40 HKAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2)[C@H]1c1cccs1 257173505 PFWYGNHLVNLMTL-FGZHOGPDSA-N 404.535 5.324 0 40 HKAB Cc1ccc(CN(C(=O)COc2cc(C)ccc2C(=O)O)[C@H](C)c2ccccc2)cc1 257297452 RHHLSMFLGMDOSB-HXUWFJFHSA-N 417.505 5.170 0 40 HKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(Sc3ccccc3)cc2)S1 260766021 IRJGNJVUWPYAHQ-NPFVIJTESA-N 403.576 5.822 0 40 HKAB O=C(O)c1ccccc1-c1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)o1 408990095 MKNYDEJSZBVZLK-UHFFFAOYSA-N 420.490 5.681 0 40 HKAB CCOc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccccc2)cc1 409099299 PZQYNGLTBDBPQF-UHFFFAOYSA-N 401.535 5.668 0 40 HKAB CCOc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)c(Br)cc1O 409122083 XCWJACULLFHEOM-SXGWCWSVSA-N 416.315 5.097 0 40 HKAB Cc1ccccc1CCc1nc(N2CCC[C@@H]2c2ccc(Cl)cc2)ncc1C(=O)O 585266499 AEKPFPRYWDTXPK-JOCHJYFZSA-N 421.928 5.263 0 40 HKAB O=c1c(-c2ccc3ncccc3c2)c[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn12 1384260087 VJMSOWXHWUORTA-UHFFFAOYSA-N 414.468 5.572 0 40 HKAB Cc1cc(OC(=O)c2cc3cc(Br)ccc3oc2=O)cc(C)c1Cl 944963 HWJXPSHHOVOXCZ-UHFFFAOYSA-N 407.647 5.045 0 40 HKAB COc1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)C(C)C)ccc3c2=O)cc1 945155 JXHBKJJTKNOREQ-UHFFFAOYSA-N 422.355 5.174 0 40 HKAB CC(C)c1ccc(N2C(=O)C[C@@]2(/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1 1378794 JUQUYSGBDNWPFT-FOHRATBMSA-N 416.565 5.448 0 40 HKAB O=C(Nc1ccc(N2CCN(c3ccccc3)CC2)c(F)c1)c1ccc(Cl)cc1 1399218 RCTXSMPWBXDKCK-UHFFFAOYSA-N 409.892 5.058 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1nc(-c2ccc(C(C)C)cc2)cs1 1516420 UPRYWZCTYZXNDO-UHFFFAOYSA-N 402.519 6.348 0 40 HKAB CCCc1ccc(OCC(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OC)cc1 1791434 VTEINWQXPKAURQ-UHFFFAOYSA-N 423.534 5.480 0 40 HKAB CC(C)[C@H](CC(=O)NCC[C@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)c1ccco1 2094792 ABWOYWSDRKZXNC-ZRBLBEILSA-N 411.586 5.905 0 40 HKAB biogenic Cc1cccc(O[P@@](=O)(Oc2ccccc2)O[C@H](c2ccccc2)C(F)(F)F)c1 2274988 NJUYNBCHRXCGCK-ACSYHNTCSA-N 422.339 6.881 0 40 HKAB CC(=O)C1=NN(c2ccc(C)cc2)[C@@H](c2c[nH]c3ccccc23)N1C1CCCCC1 2297882 MXKDVRWNBFYCCM-VWLOTQADSA-N 400.526 5.532 0 40 HKAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 2307039 QQNZALDLNNFTOM-BOPFTXTBSA-N 401.315 5.449 0 40 HKAB CCCCOC(=O)c1ccc(N[C@@H](c2ccc(C)cc2)P(=O)(OC)OC)cc1 2344578 NOUMJEBAGCXYQE-HXUWFJFHSA-N 405.431 5.549 0 40 HKAB CC(=O)N(CC[C@@H](c1ccc(F)cc1)c1ccc(OC(C)C)cc1)Cc1ccco1 2446429 RHCUHWFSMLMAPY-VWLOTQADSA-N 409.501 5.777 0 40 HKAB O=c1oc2ccc(Br)cc2c(-c2ccccc2)c1-c1cccc(Cl)c1 2581723 MFSYROIGMOLZNA-UHFFFAOYSA-N 411.682 6.543 0 40 HKAB biogenic CCCCNc1nc(CSc2ccccc2)nc2sc(C(=O)OCC)c(C)c12 2623713 LOQFECWATLZRCC-UHFFFAOYSA-N 415.584 5.681 0 40 HKAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccc(F)c(F)c1 2624515 BNLZCENBESEBSX-UHFFFAOYSA-N 413.474 5.249 0 40 HKAB Cc1ccc(NC(=O)COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1Cl 3217418 BIVFNLLBNOGBDE-UHFFFAOYSA-N 415.961 6.039 0 40 HKAB C[C@@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)Nc1ccc(F)cc1Cl 4220928 YUBORRRCWQRVDW-CYBMUJFWSA-N 413.832 5.036 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)cc1 4267147 GJEZRQNPSSYSGH-UHFFFAOYSA-N 400.434 5.336 0 40 HKAB COc1ccc(C(=O)C[C@@H](Sc2ccc(Cl)cc2Cl)c2ccccc2)cc1 4452631 YAMUQMMPALPOJA-JOCHJYFZSA-N 417.357 7.108 0 40 HKAB CCN(CC)CC(=O)Nc1cc(C23CC4CC(CC(C4)C2)C3)ccc1Br 4581541 ZLWNDVAZSLGMIC-UHFFFAOYSA-N 419.407 5.197 0 40 HKAB COc1ccc(-c2cc(C(=O)NCCCCc3ccccc3)c3ccccc3n2)cc1 5527126 AHWGLASJZCYMKV-UHFFFAOYSA-N 410.517 5.663 0 40 HKAB CC[C@H](C)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 6418893 DHUSLZFYICINQX-HNNXBMFYSA-N 406.551 6.204 0 40 HKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)Cc1ccc(Cl)cc1 6501367 OJDJTGMWIDLPRZ-UHFFFAOYSA-N 418.928 5.687 0 40 HKAB CCCN[C@H](C(=O)Nc1sc(-c2ccccc2)cc1C(=O)OCC)c1ccccc1 6586474 RLHVILUKSXDMCH-NRFANRHFSA-N 422.550 5.271 0 40 HKAB COc1ccc(-c2nc(CSc3ncnc4sc5c(c34)CCC5)cs2)cc1 6610423 LVGZGJSVYVNJRK-UHFFFAOYSA-N 411.577 5.604 0 40 HKAB COc1ccccc1C(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(C)=O)c2ccccc21 6670409 YSXYKAJYZLYKNL-HOYKHHGWSA-N 414.505 5.228 0 40 HKAB CCOc1ccc(-c2cc(OC(=O)c3ccc(C)cc3)cc3sc(=O)oc23)cc1 6809684 FMLFNMUEAMMERF-UHFFFAOYSA-N 406.459 5.448 0 40 HKAB CC(C)c1ccc(NC(=O)[C@H](C)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 7243686 VBFWWOAXBDMEOI-SFHVURJKSA-N 417.557 5.234 0 40 HKAB CCCCOc1ccccc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 7659145 XPQQRZFSAYOPMF-UHFFFAOYSA-N 416.546 6.703 0 40 HKAB CCCC(=O)Nc1ccc(-c2nc(-c3cccc(NC(=O)C4CC4)c3)sc2C)cc1 8042081 SDSPPYBSUOAGII-UHFFFAOYSA-N 419.550 5.873 0 40 HKAB C[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3c2C1 8438947 PJLPDXKKZKNTOY-LBPRGKRZSA-N 420.328 5.121 0 40 HKAB COc1ccccc1[C@H]1CC(=O)c2cnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C1 8559438 LSRKKEMBOBZXMZ-MRXNPFEDSA-N 417.896 5.279 0 40 HKAB Cc1c(C(=O)CSc2nnc([C@H]3COc4ccccc4O3)o2)sc2ccccc12 10029301 XXRMUGBTGFGJSV-QGZVFWFLSA-N 424.503 5.080 0 40 HKAB C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCOc1ccccc1Cl 11667393 ZWXLXRQQWTWGGH-INIZCTEOSA-N 423.900 5.243 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 11690611 XPFTXKLAOOYXMK-FQEVSTJZSA-N 412.272 5.700 0 40 HKAB COc1ccc(-c2cc(=O)oc3cc4occ(-c5cc6ccccc6o5)c4cc23)cc1 11691935 NSTLFTKOFNOYAL-UHFFFAOYSA-N 408.409 6.628 0 40 HKAB O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccc(F)cc1)Cc1ccco1 12390523 GWLPXWJIBHRPNY-UHFFFAOYSA-N 409.482 5.080 0 40 HKAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 12780681 MNNHXNTZLQZPLJ-CQSZACIVSA-N 400.931 5.123 0 40 HKAB COc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1Cl 12902814 AQSMSJNEAIGSHV-UHFFFAOYSA-N 410.861 5.187 0 40 HKAB c1cncc(-c2nc(Sc3ncnc4sccc34)c3c4c(sc3n2)CCC4)c1 13008286 ICWZCCSPRFQLQV-UHFFFAOYSA-N 419.560 5.398 0 40 HKAB Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1ccsc1)O2 13036208 GDECNOZHZRSSMH-UTKZUKDTSA-N 410.882 5.373 0 40 HKAB Nc1nc(N)c(-c2ccc(Cl)c(Cl)c2)c(COc2cccc3ccccc23)n1 13285058 JAJRIBVNNIVHRR-UHFFFAOYSA-N 411.292 5.347 0 40 HKAB CCCCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN23)cc1 13751822 SKFGCOYVSPGRHC-QPPBQGQZSA-N 422.912 6.354 0 40 HKAB C[C@@H](N[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc2c(c1)OCCO2 14125501 UZGSCCYDBCQYLH-CRICUBBOSA-N 412.489 5.214 0 40 HKAB COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccccc4)cc3c2C)c1 15729484 REDBLQQGEFGAFD-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB biogenic Clc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccccn2)cc1 16789505 WWJFJAVLDAVTAQ-UHFFFAOYSA-N 418.913 5.151 0 40 HKAB COc1ccc(CCNC(=S)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 17089429 SQXAJERXOIDOIK-UHFFFAOYSA-N 412.942 5.670 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccc(-c2nc3ccccc3o2)cc1 17093462 XCFHEISZMAVMQV-ZRDIBKRKSA-N 423.299 6.131 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1OC 21578550 JXAXZRTWIYFFAL-UHFFFAOYSA-N 416.477 5.690 0 40 HKAB Cc1nc(C(C)(C)C)nc2sc(C(=O)NCCc3c[nH]c4ccccc34)c(C)c12 22504943 BRHYKIGFPLKWJH-UHFFFAOYSA-N 406.555 5.059 0 40 HKAB O=C(Nc1ccn(Cc2cccc3ccccc23)n1)Nc1ccccc1C(F)(F)F 28218974 UWGMAPHBCWDGSK-UHFFFAOYSA-N 410.399 5.747 0 40 HKAB Cc1cc2oc(C(=O)N(Cc3ccc(Cl)cc3)c3ccccn3)c(C)c2cc1C 28287292 LAHDUIHCKDDKGI-UHFFFAOYSA-N 404.897 6.253 0 40 HKAB CC(C)N(C(=O)Cn1c([C@H](C)N2CCCCCC2)nc2ccccc21)c1ccccc1 39917354 UKFCLRJKLMJDJL-NRFANRHFSA-N 418.585 5.415 0 40 HKAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)NCCC4=CCCCC4)ccc32)cc1 46078510 MWYYNMHKJHQGCM-UHFFFAOYSA-N 402.538 5.208 0 40 HKAB Cc1ccc2cccc(NC(=S)NC(=O)/C=C/c3ccc(-c4ccccc4)o3)c2n1 57314135 BWWGNGVJSVRZJO-FYWRMAATSA-N 413.502 5.330 0 40 HKAB CCC(CC)(NC(=O)Nc1cccc(N2CCOC2=O)c1)c1ccc(Cl)cc1 58231005 HCFVHEYULDTOCD-UHFFFAOYSA-N 401.894 5.134 0 40 HKAB Cc1c(-c2nc(-c3ccc(Br)cc3)cs2)nnn1-c1ccccc1F 67341630 RFFGRHHRPVUHGJ-UHFFFAOYSA-N 415.291 5.268 0 40 HKAB O=C(COc1cccc(-c2nc(-c3ccccc3)no2)c1)Nc1ccccc1Cl 72242818 CTHBDGPXYOOBDT-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB Cc1nc(N[C@H](c2nnc3n2CCC3)C(C)C)c2cc(-c3ccccc3)sc2n1 79063661 KAYSAWAQWVOZOA-IBGZPJMESA-N 404.543 5.014 0 40 HKAB CCc1cc(=O)c2cc(NC(=O)[C@H]3C[C@H]3c3cccc(Cl)c3Cl)ccc2[nH]1 95465579 YRCYWRARVHBICE-GJZGRUSLSA-N 401.293 5.140 0 40 HKAB Clc1ccc(-c2nc3n(n2)[C@@H](c2ccccc2Cl)C=C(c2ccccc2)N3)cc1 100829491 WXJYBNJFHDKNLA-OAQYLSRUSA-N 419.315 6.308 0 40 HKAB N=c1c2c(ncn1Cc1ccccc1)Oc1cc(O)ccc1[C@H]2c1ccccc1Cl 101362651 HZAWMLFAFGMAEU-OAQYLSRUSA-N 415.880 5.056 0 40 HKAB COC(=O)C1=C(C)NC2=C(CCCC2)[C@H]1c1ccc(COc2ccc(F)cc2F)o1 101526028 RTMMOQLGEDSDKU-QFIPXVFZSA-N 415.436 5.099 0 40 HKAB C[C@H](NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101988755 KGHGLAFUBMLMDN-CSGUBPAMSA-N 405.478 6.706 0 40 HKAB COc1ccc([C@@H]2N=C(Nc3nc4ccccc4o3)N=C3CC(C)(C)CC(O)=C32)cc1 102597998 QKHFJJYRSSIRMR-NRFANRHFSA-N 416.481 5.432 0 40 HKAB COc1ccc(-c2csc(C3=C(O)CN([C@H](C)c4ccccc4)C3=N)n2)cc1OC 102719059 QKIZMNSDNNQOHM-CQSZACIVSA-N 421.522 5.150 0 40 HKAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)C1C[C@@H]2CCC[C@@H](C1)C2=O 103138038 JCALPWBXVZRLRY-DPOKWSEZSA-N 415.489 5.031 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c(Br)c1 218862217 SLJHBICSCIXBMN-UHFFFAOYSA-N 402.210 5.048 0 40 HKAB Cc1c(Cl)cccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 222849456 SKKGATWQUANGPZ-RTWAWAEBSA-N 411.958 5.684 0 40 HKAB CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 223942128 VULFQHILKSNYLN-LJQANCHMSA-N 416.587 5.050 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccc(C)cc1 224130412 IKDVPIDCYUXTDE-KRWDZBQOSA-N 409.913 5.727 0 40 HKAB C[C@H](O)c1ccc(C2(CNC(=O)C(C)(C)Oc3ccc(Cl)cc3)CCCC2)s1 225682027 YDWJWCNPBQTNLY-HNNXBMFYSA-N 421.990 5.240 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCCN3CCC[C@@H](C)C3)cc2)CCCCCC1 225711604 QMSZOYJHAHQGAX-OAQYLSRUSA-N 416.606 5.255 0 40 HKAB COC(=O)c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 226340562 ZZWDUZPTXGLFGQ-UHFFFAOYSA-N 405.675 5.621 0 40 HKAB COc1cccc([C@H]2C[C@@H]3CCN(c4ccccc4)C(=O)[C@@H]3N2Cc2ccccc2)c1 257299404 RPYJNLLWJPVBSQ-HDYLNDSGSA-N 412.533 5.064 0 40 HKAB CCc1s/c(=N\C(=O)c2cccc3ccccc23)n(CC)c1-c1ccc(C)cc1 408559701 BIGWFECTMFAWCC-QPLCGJKRSA-N 400.547 6.002 0 40 HKAB Cc1ccccc1CNC(=S)c1cccc(OCc2c(Cl)cccc2Cl)c1 408574924 NBQWSHBPLPQGEE-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB CC[C@@H](C)N1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C1=O 409010779 LGEILJJONHXJSN-IKMPRTQCSA-N 422.525 5.972 0 40 HKAB O=C1N/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1Cc1ccccc1 409203843 ZVUWRNHQOBOMBJ-LDADJPATSA-N 412.367 5.058 0 40 HKAB Cc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)/C=C/c4ccccc4)C3)c2)n1 585292732 RYIPYPJVUNXBJX-DGXIYAMASA-N 412.537 5.256 0 40 HKAB O=C(O)c1ccc2c(c1)Cc1cccc(c1)CN(CC1CCCCC1)CCCCCO2 643582957 ARBJLBZDPDRSDR-UHFFFAOYSA-N 421.581 5.921 0 40 HKAB S=C1NC(c2ccccc2)=C[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1 642386 WLHXHQMBLNKTNU-QHCPKHFHSA-N 408.530 5.099 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(NC(=O)COc4ccccc4C)cc3O)nc2c1 850279 PFLPBPXGYGOSKT-UHFFFAOYSA-N 402.450 5.143 0 40 HKAB Cc1cc(C)c2c(N)c(C(=O)Nc3c(Cl)cc(Cl)cc3Cl)sc2n1 888464 JGIAVDMEVPPBCE-UHFFFAOYSA-N 400.718 5.708 0 40 HKAB O=C(CSc1nc(C2CC2)nc2ccccc12)Nc1cccc(C(F)(F)F)c1 1332597 WFHHABAMPMYRIB-UHFFFAOYSA-N 403.429 5.257 0 40 HKAB Cc1cc(C)n(CC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)n1 2229868 TYHHSJRGWDJSBH-UHFFFAOYSA-N 403.429 5.348 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1F)N(c1nc(C)c(C)s1)C3=O 2439330 KMNHTJNOEQLIQU-IBGZPJMESA-N 420.465 5.064 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(C(C)(C)C)cc1 2453216 CVHQPXCNXOUBLQ-UHFFFAOYSA-N 424.570 5.002 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@@H]2C)c(C)c1 2634034 USTXWGKJQFIOGU-UWJYYQICSA-N 420.582 5.683 0 40 HKAB Cc1cccc(-n2c(SCc3ccccc3F)nnc2-c2c[nH]c3ccccc23)c1 3264012 PFKXKQIURVCDOW-UHFFFAOYSA-N 414.509 6.155 0 40 HKAB COc1ccc(-c2cc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3n2)cc1 3672636 CZXUBJVIOXMCKG-UHFFFAOYSA-N 413.864 6.281 0 40 HKAB CCc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)cc1 3766585 CKGNAHUNEYQPIZ-HKUYNNGSSA-N 414.431 5.358 0 40 HKAB Cn1c2ccccc2c2cc(/C=C/[C@@]34NC(=O)CCN3c3ccccc3C4(C)C)ccc21 3999071 SLJVMWRNYMHJGP-JPDWALJZSA-N 421.544 5.359 0 40 HKAB biogenic Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)Nc4ccccc43)cc2Cl)cc1 4680672 FOOGHTUIJYBOGN-ZDLGFXPLSA-N 410.300 6.374 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c(C)c1 4699980 KVCHNSGUMGMCKK-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 4812359 JQZQIJFMKOOPFP-GOTSBHOMSA-N 412.880 5.144 0 40 HKAB O=C(Nc1cccc(Br)c1)c1cc(-c2ccccc2)nc2ccccc12 5685112 KXIDVNQZBGCZAO-UHFFFAOYSA-N 403.279 5.917 0 40 HKAB CC(C)c1ccc(-c2nc(C(=O)NC[C@H]3CCCO3)cc3c2[nH]c2ccccc23)cc1 5825719 BPNHMAQYEQHXJR-LJQANCHMSA-N 413.521 5.415 0 40 HKAB biogenic Clc1ccccc1OCCSc1nnc(-c2ccco2)n1C1CCCCC1 6495749 LLUWJZWNSHAXEE-UHFFFAOYSA-N 403.935 5.868 0 40 HKAB CCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 6597456 FEOXLOAKMQERGH-IBGZPJMESA-N 424.541 5.034 0 40 HKAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C1=O 6629513 RRJOLMLKOCFSMR-VCHYOVAHSA-N 404.919 5.202 0 40 HKAB Cc1cccc(-c2noc(CN(C(=O)c3ccccc3-c3ccccc3)C(C)C)n2)c1 6737020 WCOJEQPREBISJU-UHFFFAOYSA-N 411.505 5.763 0 40 HKAB CCCC[C@H](CC)COC[C@H](CN(C)C)OC[C@@H](C)COC[C@H](CC)CCCC 6778655 OXQSXJOQFXUCQG-NDBXHCKUSA-N 415.703 6.035 0 40 HKAB O=C(Oc1ccc(Br)cc1Cl)c1cccc(Oc2ccccc2)c1 6885430 XHQCIHIFMFDPLB-UHFFFAOYSA-N 403.659 6.114 0 40 HKAB Cc1ccc(CN(C)C(=O)CSc2nc(-c3cccs3)nc3ccccc23)o1 7292637 CMMLZAXRIYMEPB-UHFFFAOYSA-N 409.536 5.010 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(NC3CC3)s2)c2ccccc2)c1 7577428 HWPVPSXDVIKHOM-SFHVURJKSA-N 410.568 5.201 0 40 HKAB CCn1c(SCc2cccc3ccccc23)nnc1-c1cc(Cl)ccc1OC 7605145 GRWKSVVBYCVGKH-UHFFFAOYSA-N 409.942 6.073 0 40 HKAB COc1ccc(C2=NN(c3c(F)c(F)cc(F)c3F)[C@H](c3ccc(F)cc3)C2)cc1 8443615 BOZHCDLFAOKUHU-IBGZPJMESA-N 418.365 5.746 0 40 HKAB COc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1 8534860 BQBATDVAMRYOQG-BRHCQBGKSA-N 405.582 5.969 0 40 HKAB COc1ccc(-c2nn(-c3ccc(F)cc3F)c3c2cnc2ccc(F)cc23)cc1 8607022 SOYFNPSJVXLXSF-UHFFFAOYSA-N 405.379 5.667 0 40 HKAB Cc1nn(CC(C)C)c2sc(C(=O)N(C)[C@H](C)c3nc4ccccc4s3)cc12 8718788 OKRQJRJFYPOSNV-CQSZACIVSA-N 412.584 5.505 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 8951717 PJALTXHLCHFFKL-FQEVSTJZSA-N 422.278 5.156 0 40 HKAB Cc1csc(-c2ccc(OCC(=O)N[C@@H](c3ccccc3)c3cccs3)cc2)n1 9494050 KQJBXQJMHGJIPT-QFIPXVFZSA-N 420.559 5.465 0 40 HKAB Cc1cc(C)nc(Oc2cccc(NC(=O)C(c3ccccc3)c3ccccc3)c2)n1 12089901 XFGGTKZEJHSHTM-UHFFFAOYSA-N 409.489 5.656 0 40 HKAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1nc(-c2ccccc2Cl)cs1 12253579 YOJKANJGKWLMDM-UHFFFAOYSA-N 409.898 5.690 0 40 HKAB Cc1cccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(Cl)cc2)OC3=O)c1C 12274621 NOSNKLHVLWOWBR-JOCHJYFZSA-N 405.881 5.663 0 40 HKAB CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)Nc1ccccc1OC)n2C 12652705 NTDYPVMJWKCPJL-UHFFFAOYSA-N 418.924 6.322 0 40 HKAB O=c1[nH]c2c(cc1CNc1ccccc1)c(-c1cccc(F)c1)nn2-c1ccccc1 13564743 ODYFCTCOAXUGKZ-UHFFFAOYSA-N 410.452 5.132 0 40 HKAB CCc1ccc(-c2cnc3ccccc3n2)cc1NC(=O)c1ccc(Br)o1 13609864 CFOWKHXOBUTMFZ-UHFFFAOYSA-N 422.282 5.467 0 40 HKAB C[C@@H](CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccccc1 14020386 INPWYFMLOCSRJS-AWEZNQCLSA-N 416.399 5.683 0 40 HKAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 14197510 JFCDOJSUKTUNRL-NSHDSACASA-N 417.531 5.003 0 40 HKAB CC(C)=CCc1cc(-c2coc3c(CC=C(C)C)c(O)cc(O)c3c2=O)ccc1O 14780940 FXJPTJQFJYNFKC-UHFFFAOYSA-N 406.478 5.594 0 40 HKAB biogenic,in-vitro COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4cccs4)ccc3c2C)c1 15729383 WTJLGEMNELSKSY-UHFFFAOYSA-N 421.474 5.303 0 40 HKAB biogenic COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Br)c(C)c1 16282189 VCWJUAZJDWKLSA-ZZXKWVIFSA-N 415.114 5.725 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 17093954 OPJQVOQGPQFBNS-CXUHLZMHSA-N 424.500 6.460 0 40 HKAB O=C(CCc1nc(-c2cccs2)no1)Nc1cc(C(F)(F)F)ccc1Cl 20894269 XOLGQKDNGITPAL-UHFFFAOYSA-N 401.797 5.042 0 40 HKAB O=C(COc1cccc2ccccc12)Nc1cccc(NC(=O)Nc2ccccc2)c1 24828729 HCLJIUHVSNVNHN-UHFFFAOYSA-N 411.461 5.501 0 40 HKAB O=C(COc1ccc2ccccc2c1Br)N[C@@H]1CCCc2ccccc21 30871058 DLEOFAKGKRXDHD-LJQANCHMSA-N 410.311 5.175 0 40 HKAB CC(C)Oc1cccc(C(=O)Nc2cc(-c3nc4cnccc4o3)ccc2Cl)c1 32096080 ROALJESILCXOQC-UHFFFAOYSA-N 407.857 5.583 0 40 HKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 35264079 MEBHTBSEVOSDOL-MRXNPFEDSA-N 422.912 6.022 0 40 HKAB CCn1cc([C@H](C)Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c(C)n1 36614138 MENMJVHVGANZKI-NSHDSACASA-N 409.843 5.514 0 40 HKAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(CN2CCCCCC2)cc1 38836923 MGSCMMYPYVOTFE-UHFFFAOYSA-N 402.991 5.238 0 40 HKAB O=C(NCCCOCc1ccccc1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 40062016 DVIVTOYXLAYEHD-WOJBJXKFSA-N 406.551 5.069 0 40 HKAB O=C(/C=C/c1ccc(Br)cc1)Nc1ccccc1OCc1cscn1 58163121 OWOJVOFEEWVNNJ-JXMROGBWSA-N 415.312 5.137 0 40 HKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3nc4c(C)cc(C)cc4s3)c2c1 61997186 SXGUWCMULJOWJA-UHFFFAOYSA-N 408.523 6.399 0 40 HKAB COc1cccc([C@@H](C)Sc2nnc(CN3CCCCC3)n2Cc2ccccc2)c1 79001635 JITLJUNXUFWOIL-LJQANCHMSA-N 422.598 5.174 0 40 HKAB COc1cccc(-c2ccc3cc(C(=O)Nc4ccc(C)cn4)c(-c4cocn4)n3c2)c1 96267052 GCVAGWPVEDVXKT-UHFFFAOYSA-N 424.460 5.226 0 40 HKAB Cc1ccc(-c2c(Br)s/c(=N\c3ccccc3)n2-c2ccccc2)cc1 100135239 UXDZCUQVXHLWLV-GYHWCHFESA-N 421.363 6.509 0 40 HKAB CCN(C(=O)c1cccc(C(=O)N(CC)c2ccccc2C)n1)c1ccccc1C 149898131 JKRJGXFDMPZALM-UHFFFAOYSA-N 401.510 5.032 0 40 HKAB C[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(C(C)(C)C)cc1 219842408 LJTNLNJHUPLDPD-SFHVURJKSA-N 421.968 6.708 0 40 HKAB CC[C@@H](NC(=O)c1ccc(I)cc1)c1ccc2c(c1)CCCC2 223024275 ZQPWFHQOLQRQSR-LJQANCHMSA-N 419.306 5.051 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C(C)C 223318236 TXAJYXQCBSMUPB-RBUKOAKNSA-N 411.586 6.069 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccccc1C(C)C 224237127 WXZSURZXZCPAPV-SFHVURJKSA-N 421.512 6.028 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 224335501 CEIMPJQSGBCZRR-GOSISDBHSA-N 423.940 6.970 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1F)c1ccccc1 225306167 HFIPIXVVKKSTGT-OAHLLOKOSA-N 410.876 5.151 0 40 HKAB CCSc1ccccc1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C 225314505 BGCMNHWTFQEXML-HKWRFOASSA-N 406.507 5.110 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)c1snnc1-c1ccc(Br)cc1 225784014 MQXLDHBIMLBOHI-UHFFFAOYSA-N 412.671 5.012 0 40 HKAB COc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)c(OC)c1 225849181 MALQZHLWFZGWSC-UHFFFAOYSA-N 418.990 5.589 0 40 HKAB Oc1nc(-c2ccc(-c3cccc(Br)c3)o2)nc2ccc(Cl)cc12 253536003 BHFORGQRVWMYHX-UHFFFAOYSA-N 401.647 5.678 0 40 HKAB S=C(NCc1ccc(Cl)cc1)c1cccc(OCc2ccccc2Cl)c1 408577853 UVZMMFSKCYSMKI-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(C)cc3)n2C)cc1 409207320 RYSFHKWFCAOZDE-QPLCGJKRSA-N 414.530 5.479 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 409249995 KVVUBNUXTCMCLQ-UHFFFAOYSA-N 422.550 5.196 0 40 HKAB CN(C)C(=O)N1CCC[C@H]1CCc1ccc(Nc2ncc(-c3ccccc3)s2)nc1 585263035 WMDWJRPJJRRCHR-IBGZPJMESA-N 421.570 5.027 0 40 HKAB CCCOc1ccc(C)cc1-c1ccc(C(=O)O)c(COc2ccc(CCC)cc2)n1 585265682 XUJZUVBSMWYLQU-UHFFFAOYSA-N 419.521 6.076 0 40 HKAB O=C(c1cc2cccc(F)c2[nH]1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 2037846305 NNEDINSSEDIUAF-QGZVFWFLSA-N 421.447 5.045 0 40 HKAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(OC)c(Cl)c4)c(N)c3cc2C1 661825 OSIMNZZFAKKFFJ-NSHDSACASA-N 415.946 5.308 0 40 HKAB C[C@@H]1CCc2nc3sc(C(=O)Nc4ccccc4F)c(N)c3c(C(F)(F)F)c2C1 664001 VPXQONCWGXIZHG-SECBINFHSA-N 423.435 5.414 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(C(=O)Oc3ccc(Br)cc3)cc2)cc1 820595 AYBLTLYRCJZVIU-UHFFFAOYSA-N 410.267 5.229 0 40 HKAB COc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1 983480 YQDRGCQRQNARAA-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2cccs2)cc1 1255807 BEELNGUEIRTIFK-UHFFFAOYSA-N 402.928 5.385 0 40 HKAB COc1ccc([C@H](CCN(C[C@H]2CCOC(C)(C)C2)C(C)=O)c2ccccc2)cc1 1322294 XWVVJKVSQBGTHS-SQJMNOBHSA-N 409.570 5.271 0 40 HKAB biogenic Cc1ccc(C(=O)N2c3ccccc3N(Cc3ccc(Cl)cc3)C(=O)[C@H]2C)cc1 1381908 XOGGCBYHXZUJHQ-QGZVFWFLSA-N 404.897 5.231 0 40 HKAB FC(F)(F)c1ccccc1NC(=S)Nc1ccc(I)cc1 1753659 BFWCEOIZURCXDG-UHFFFAOYSA-N 422.213 5.119 0 40 HKAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(N2CCCCC2)cc1 1777848 FTESHYSEGWIYLF-UHFFFAOYSA-N 419.525 5.544 0 40 HKAB Cc1ccc([C@H](CCCNCc2ccc3c(c2)OCO3)[C@H]2CCOC(C)(C)C2)cc1 1821336 LXJMHRPUYRUYNE-GOTSBHOMSA-N 409.570 5.583 0 40 HKAB biogenic CC(C)c1ccc(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 1863229 NBWQIFIYMQEPDP-MDWZMJQESA-N 416.487 6.471 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(F)cc3)c2C(N)=O)C1 2084741 VNONTKBDSDVMQH-CUXKMMBLSA-N 414.546 5.179 0 40 HKAB CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 2404747 ABVNHGXMWFCWCN-RUZDIDTESA-N 423.512 5.704 0 40 HKAB Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)c1 2424909 AQXNLYKQRIZIPR-UHFFFAOYSA-N 424.913 5.136 0 40 HKAB Clc1ccc(COc2ccc(-c3noc(C(Cl)(Cl)Cl)n3)cc2)cc1 2570543 WQOXROJPYQKPDW-UHFFFAOYSA-N 404.080 5.796 0 40 HKAB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N[C@@H](C)CC)c2c1C 2622925 MCUFWKMJZDUTFO-ZDUSSCGKSA-N 415.584 5.679 0 40 HKAB O=[S@@](Cc1ccccc1)CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 3128222 GJYABQOTGJEBQU-AREMUKBSSA-N 405.346 5.178 0 40 HKAB Cc1ccc(Oc2c(COC(=O)c3ccc(F)cc3)c(-c3ccccc3)nn2C)cc1 3135107 CQJGMENOVACUOM-UHFFFAOYSA-N 416.452 5.684 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1c(Cl)cccc1Cl 3312241 IMGQHBWBVBIKNN-UHFFFAOYSA-N 408.325 6.036 0 40 HKAB Cc1ccccc1CSc1cn(CCNC(=O)c2ccccc2)c2ccccc12 4059797 YFGQHHPQWXNQEP-UHFFFAOYSA-N 400.547 5.672 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1cccc(F)c1 4072674 NRHCCBYUZIMNIH-UHFFFAOYSA-N 402.450 5.433 0 40 HKAB COc1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(Br)cc3)C2)cc1 4199473 KAPFBUBIXSNQSQ-QFIPXVFZSA-N 407.311 5.813 0 40 HKAB CC(C)(C)N1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1=O 4386030 QXNVMVSCDJDXIY-OAHLLOKOSA-N 416.352 5.506 0 40 HKAB COc1ccc2[nH]c(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)nc2c1 4406351 CLGRQYMHTDZUPN-FQEVSTJZSA-N 407.470 5.183 0 40 HKAB Cc1ccc(C(=O)C[C@@H](Sc2ccc(Cl)cc2Cl)c2ccccc2)cc1 4452662 BNOVNNWDBJTDBD-JOCHJYFZSA-N 401.358 7.408 0 40 HKAB CCCCc1cc(=O)oc2cc(O[C@@H](C(=O)OC)c3ccccc3)c(Cl)cc12 4747488 QZHVCCOXBRVYLF-OAQYLSRUSA-N 400.858 5.082 0 40 HKAB CCOc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)cc1OC 4783913 ALOZYSCSEFAKGN-VBKZILBWSA-N 414.571 5.735 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccc(Br)cc23)cc1 4970066 QASOGENSUKHHTE-UHFFFAOYSA-N 414.306 6.312 0 40 HKAB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)no1 5246338 NXMNNMNXEJQWPM-OAQYLSRUSA-N 414.461 5.137 0 40 HKAB CCc1cc([C@@H](c2cccc(F)c2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 5677865 LDLNVECTOLWOHN-HSZRJFAPSA-N 422.569 6.277 0 40 HKAB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(F)c(F)c1 5808925 NXDTUISOYTYUIB-UHFFFAOYSA-N 409.413 5.281 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](SC(=S)N(CC)CC)c1ccccc1 7059089 AKEKONMGIBZQIT-LJQANCHMSA-N 402.585 5.125 0 40 HKAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(OCc2ccccc2)c1 7668634 IMLQTEZVESCKJN-UHFFFAOYSA-N 414.505 5.144 0 40 HKAB CCOc1cc(CN[C@H](C)CC)cc(Br)c1OCc1ccc(F)cc1 8325885 WJPPKHQZUWHDLM-CQSZACIVSA-N 410.327 5.454 0 40 HKAB Cc1ccccc1-n1c(-c2ccc(F)cc2)nn(CC(=O)c2ccccc2)c1=S 8416343 KXZBBTQVHVQEDT-UHFFFAOYSA-N 403.482 5.401 0 40 HKAB CCOCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 8654067 FEWGMBKAHWNREU-UHFFFAOYSA-N 404.539 5.234 0 40 HKAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 8816050 CETRQTWXVNSAJA-FBCSTPJJSA-N 424.585 5.492 0 40 HKAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1cccc(C(F)(F)F)c1 9446301 NOGMABVPSNJFDC-UHFFFAOYSA-N 417.239 6.388 0 40 HKAB COc1cccc(Nc2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3ccccc23)c1 9847327 INTPJFRCWBPHMC-UHFFFAOYSA-N 424.909 5.473 0 40 HKAB COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nc4ccccc4n32)cc1 10060178 VDBAKCBGFMTXRX-DEOSSOPVSA-N 424.504 5.281 0 40 HKAB COc1cccc2cc(-c3csc(NC(=O)c4ccc5c(c4)CCCC5)n3)oc12 10748174 SIEZMRQUOJYYGL-UHFFFAOYSA-N 404.491 5.696 0 40 HKAB CCOc1ccc(OCC(=O)N[C@H](c2ccc(CC)cc2)c2cccc(F)c2)cc1 12858601 BDZAOCIYCAMLSO-RUZDIDTESA-N 407.485 5.071 0 40 HKAB Cc1nc(C2CC2)nc2sc(C(=O)N(C)[C@H](C)c3cc4ccccc4o3)c(C)c12 12941618 XKARROFNTWQDDF-CQSZACIVSA-N 405.523 5.765 0 40 HKAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1coc(-c2ccccc2)n1 12975803 ULAPZZWJOAOXAW-UHFFFAOYSA-N 409.507 5.406 0 40 HKAB Cc1ccc2[nH]cc(C(=O)CSc3nnc(-c4ccoc4)c(-c4ccoc4)n3)c2c1 13990262 YSYLHNHZLGDMGC-UHFFFAOYSA-N 416.462 5.156 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(Sc3ccc(Cl)cc3)sc2Cl)cc1 14671776 QLSSMXQTNWNVGP-UHFFFAOYSA-N 416.376 5.742 0 40 HKAB COc1ccc(OC)c(NC(=O)NC23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)c1 16754029 FNGCHFRKGHCKDW-GBXBDOIYSA-N 420.553 5.424 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 17093392 VZFRKQGWMLTMBT-UHFFFAOYSA-N 422.937 6.658 0 40 HKAB CCCOc1ccc(-c2nc(Nc3ccc(C(=O)OC)cc3)c3ccccc3n2)cc1 17123694 YNIUQIPZPXDFKY-UHFFFAOYSA-N 413.477 5.616 0 40 HKAB COc1ccc(S[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)cc1 20482717 HSRGDVOULPSGEX-CYBMUJFWSA-N 413.967 5.018 0 40 HKAB CCn1cc(C(=O)N[C@H](C)c2ccc(Cl)cc2)c(=O)c2cc(C(F)(F)F)ccc21 22237020 OANTWQIQBUQURW-GFCCVEGCSA-N 422.834 5.185 0 40 HKAB COc1cc(NC(=O)c2sc3cccc(Cl)c3c2Cl)c(OC)cc1Cl 27980167 BCOQSDNJPWGDEN-UHFFFAOYSA-N 416.713 6.131 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CN1CCc1ccccc1 31903446 HBJLAWZKIILBEV-HSZRJFAPSA-N 415.581 5.565 0 40 HKAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1ccccc1Cl 32906615 ZFQXQYHPINKOHD-UHFFFAOYSA-N 418.924 5.059 0 40 HKAB Cc1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)cc1C(=O)O 35648747 AYQVDYYCLPQXDW-OVCLIPMQSA-N 424.330 5.406 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(O)c(-c2nc3cnccc3o2)c1 36360293 SQPXWHQTLKYZGV-UHFFFAOYSA-N 423.856 5.045 0 40 HKAB Cc1cc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)ccc1Br 38850306 ODZKMXBRKWRXRY-HNNXBMFYSA-N 401.348 5.242 0 40 HKAB Cc1nc(C)c(-c2nnc(S[C@H](C(=O)c3ccccc3)c3ccccc3)o2)s1 40051684 HDMMUOWMOVPBNZ-IBGZPJMESA-N 407.520 5.526 0 40 HKAB CCSc1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1Br 44886095 BZPQLVDJDGYWDD-UHFFFAOYSA-N 422.388 5.876 0 40 HKAB CC[C@@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(C)cc1 44935806 GXBAMUMPAOMHGN-JOCHJYFZSA-N 402.941 5.267 0 40 HKAB Cc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3)=NC23CCCCC3)cc1C 45933066 JHFMDGRWNQTHMM-UHFFFAOYSA-N 410.970 5.890 0 40 HKAB CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72214348 OZIMHGSTLMKGOB-IBGZPJMESA-N 411.502 5.292 0 40 HKAB Cc1cc(Nc2nccs2)cc([C@@H]2CCCN2C(=O)c2cccc3ncccc23)n1 72372560 CUTSXRYYAINDRN-NRFANRHFSA-N 415.522 5.116 0 40 HKAB O=C(c1ccc2ccccc2n1)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 95481738 IFGSFQHMGLJNCZ-CLRQINNVSA-N 423.472 5.858 0 40 HKAB O=C(NCc1ccccn1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 102732335 NNDAFHZMYZKVOO-ZFFDXBFGSA-N 409.533 5.308 0 40 HKAB CCc1cccc(NC2=C[C@H](c3ccc(OC)cc3)N(c3cccc(CC)c3)C2=O)c1 103753583 DHXVLFDNPSPPIZ-AREMUKBSSA-N 412.533 5.904 0 40 HKAB COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 107730821 ZAWYEBHEEBIUCG-UHFFFAOYSA-N 404.510 5.250 0 40 HKAB C[C@@H](CCc1ccccc1Cl)NC(=O)c1cc(-c2ccn(C)n2)nc2ccccc12 141546899 YKWBHCSJUUVEOJ-INIZCTEOSA-N 418.928 5.040 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219351414 QUPHISGGBXFPKH-FGZHOGPDSA-N 407.510 5.282 0 40 HKAB CC(C)n1c(Cl)nc2cc(C(=O)N(Cc3ccccc3)Cc3cccn3C)ccc21 222556181 AUTSXCCWCKDGDA-UHFFFAOYSA-N 420.944 5.452 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 223032625 PPIFXDFZZXTFSJ-PMACEKPBSA-N 417.933 5.233 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1ccccc1 224086792 ZRSQEHCXUYMSPC-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 224332766 CLDNSVLHYGDIRK-DNQXCXABSA-N 418.610 5.820 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(Br)cc1F 224527080 OOOJXDWPYIGCCS-UHFFFAOYSA-N 406.679 5.253 0 40 HKAB O=C(NCCSCc1cccc(Cl)c1)c1cc(Br)ccc1Cl 225068436 BGJHNCWXUZRMJW-UHFFFAOYSA-N 419.171 5.419 0 40 HKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225734736 WBKAZQBLMDNYLQ-BKSPAHHJSA-N 418.622 5.213 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1cccc2ccccc12 225777085 DDXVFXSCURCSHZ-AREMUKBSSA-N 401.550 5.625 0 40 HKAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1cccc(OCc2ccccc2Cl)c1 225779576 RVYFEEJTACXNFR-LJQANCHMSA-N 421.968 6.405 0 40 HKAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc(Oc2ccccc2)cc1 225808729 VSLSKNSWNJXCEN-UHFFFAOYSA-N 419.868 5.754 0 40 HKAB CCCC(=O)N1CCC(Cc2ccc(-c3cccc(C)c3)cc2)(C(=O)NC(C)C)CC1 257209557 BQWAVCKCGSWZSD-UHFFFAOYSA-N 420.597 5.138 0 40 HKAB O=C(c1cc2ccccc2o1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257286585 PMDKMRRQTGFVCC-SFHVURJKSA-N 420.896 5.685 0 40 HKAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1cccc2ncccc12 257299126 ROVLGWSZOZEPPL-WKILWMFISA-N 418.522 5.050 0 40 HKAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(Oc2ccccc2)nc1 408568632 KSJWVALLXISBRB-UHFFFAOYSA-N 424.547 5.370 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(F)cc2)c(C)c1 408698202 MCYXIAMPUHJENN-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB O=C1c2ccccc2N[C@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1 408734239 VPEYRYXHFJOBIM-SANMLTNESA-N 424.475 6.176 0 40 HKAB Cc1ccc(NCc2cc(Br)ccc2OCc2ccccc2F)c(C)c1 409115674 STBPBLXUASIHJY-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB O=C(OCc1ccc(Cl)cc1Cl)c1ccc(Cn2nnc3ccccc32)cc1 409183054 QQNREQSVVSSGDC-UHFFFAOYSA-N 412.276 5.143 0 40 HKAB CCCOc1cc(OC)ccc1-c1ccc(C(=O)O)c(CCc2ccc(C)cc2)n1 585265044 FRMBOPIHJQQBSM-UHFFFAOYSA-N 405.494 5.338 0 40 HKAB Cc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N(CC(C)C)C(=O)c1ccccn1 1418773 KMIAZUVMGLCZLU-DEOSSOPVSA-N 415.537 5.177 0 40 HKAB CCCc1nc2sc3c(SCCc4ccccc4)ncnc3c2c2c1CCCC2 1898789 NYQJPVFRIBHECE-UHFFFAOYSA-N 419.619 6.406 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1ccc(C(=O)c2ccccc2)cc1 2070155 LRNADTZLTOEFMU-UHFFFAOYSA-N 417.848 5.754 0 40 HKAB Cc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccc(C)cc23)cc1 2078759 PWCPIUHBWGQRDT-UHFFFAOYSA-N 409.485 5.867 0 40 HKAB CCO[P@](=O)(NC(C)C)SCc1csc(COc2ccc(Cl)cc2)n1 2567026 WOHBFPGZJPAZLH-HSZRJFAPSA-N 420.924 5.751 0 40 HKAB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N[C@H](C)CC)c2c1C 2622924 MCUFWKMJZDUTFO-CYBMUJFWSA-N 415.584 5.679 0 40 HKAB Cc1cc(C)cc(-n2c(CSCc3ccccc3)nc3cc(Cl)ccc3c2=O)c1 3050404 WMEKGNSFZUVWJR-UHFFFAOYSA-N 420.965 6.089 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1 3108180 JEWBTLDQGKXZQE-UHFFFAOYSA-N 424.294 5.331 0 40 HKAB O=C(Nc1ccccc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 3207306 PXWNITNHJVSBTL-UHFFFAOYSA-N 408.298 5.213 0 40 HKAB Cc1ccccc1C(=O)Oc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc2c1 3260895 HOKJRUFPBVHFDJ-UHFFFAOYSA-N 422.440 5.173 0 40 HKAB CCc1ccc(O[C@H](C)C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)cc1 3655602 MIENEIJBEGSJKC-QGZVFWFLSA-N 413.473 5.632 0 40 HKAB CC(C)OC(=O)c1c(NC(=O)Cc2ccc(Cl)cc2)sc2c1CCCCC2 3669881 HVGWSMDREVWNLT-UHFFFAOYSA-N 405.947 5.417 0 40 HKAB CC1=C2C[C@@H]3[C@@H](CN4CCC(Cc5ccccc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 4043677 AASBORAVPLVJOH-JTOATPROSA-N 407.598 5.399 0 40 HKAB biogenic CCCCc1nc2sc3c(SCc4ccccc4)ncnc3c2c2c1CCCC2 4815404 LWGYGIARSKZVGG-UHFFFAOYSA-N 419.619 6.753 0 40 HKAB O=C(Nc1ccccc1Sc1ccc(Cl)cc1)c1cccc(OC(F)F)c1 4933049 LEDSVTABJBVDEX-UHFFFAOYSA-N 405.853 6.345 0 40 HKAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)c1C 4977779 DHTIVXOEQNTYSD-UHFFFAOYSA-N 404.510 5.333 0 40 HKAB Nc1nc(N)c2sc3nc(-c4cccs4)cc(-c4ccc(Cl)cc4)c3c2n1 5387514 LSKNSQYIZLXTLO-UHFFFAOYSA-N 409.927 5.453 0 40 HKAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2ncnc3sccc23)cs1 6115278 PHJWBDUDSGURKK-UHFFFAOYSA-N 412.565 5.433 0 40 HKAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccccc4C#N)o3)C2=O)c1 6478740 NNFCIHISZDPERM-CIAFOILYSA-N 400.459 5.363 0 40 HKAB CCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(OCCC)cc3)C2)cc1 6597460 VTHRSKVPTUAQOT-IBGZPJMESA-N 424.541 5.036 0 40 HKAB O=C(c1ccccc1)c1oc2ccccc2c1NC(=O)c1cc2ccccc2oc1=O 6732783 FXTWSPJJOFFNFG-UHFFFAOYSA-N 409.397 5.023 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1 7080119 PSOTUBSAMKOWEJ-SFHVURJKSA-N 414.509 5.260 0 40 HKAB O=C(Cc1csc(-c2ccccc2)n1)Nc1nc(-c2ccccc2Cl)cs1 7640620 UVDSWVQLPYCFCI-UHFFFAOYSA-N 411.939 5.768 0 40 HKAB CCCC(=O)Nc1ccccc1NC(=O)c1ccccc1SCc1ccccc1 7684860 AHBLAUCERUHXHI-UHFFFAOYSA-N 404.535 5.970 0 40 HKAB COc1cc2c(cc1/C=C/C(=O)N(c1ccccc1)c1nc(C)cs1)O[C@@H](C)C2 7718938 APOLVKQWXMZLMZ-SCOAYWHSSA-N 406.507 5.162 0 40 HKAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1ccc2ccccc2c1 8750301 XMRFABITVXJOTJ-UHFFFAOYSA-N 420.563 5.149 0 40 HKAB Clc1ccccc1-c1noc(CSc2nnc(NCc3ccccc3)s2)n1 8943428 QXNUDABAKGFSDG-UHFFFAOYSA-N 415.931 5.146 0 40 HKAB Cc1ccnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)c1 9159091 DQBBFHUBKPWEOQ-HXUWFJFHSA-N 420.827 5.039 0 40 HKAB Fc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 9215635 VFGVYLKKXRDHIR-CVDCTZTESA-N 422.843 5.450 0 40 HKAB O=C(COc1ccc(Cl)c2cccnc12)Nc1cc(C(F)(F)F)ccc1Cl 9669694 RHJZNWOZKQCXDH-UHFFFAOYSA-N 415.198 5.578 0 40 HKAB CCOc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1CC(C)C 9698986 SITXVKFOJREQGC-UHFFFAOYSA-N 424.570 5.039 0 40 HKAB Cc1nc(Nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)cc(OC(C)C)n1 11613282 WEIUJWOTQCOSLX-UHFFFAOYSA-N 409.465 5.407 0 40 HKAB O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(Br)cc1 11617337 BQUISQHZWCSHNF-UHFFFAOYSA-N 412.106 5.074 0 40 HKAB CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Cl)cc1)C(C)(C)N2 12524243 GKVNNHGPOFNIQT-QOCHGBHMSA-N 402.972 6.422 0 40 HKAB COc1ccc(-n2c(SCc3cc(C(C)=O)ccc3OC)nc3ccccc32)cc1 12604674 ODDKDNJSZPSVEP-UHFFFAOYSA-N 418.518 5.538 0 40 HKAB O=C(COc1ccc(Br)cc1Cl)Nc1ccc(-c2nccs2)cc1 12933816 NJEFDHAJTWMKGQ-UHFFFAOYSA-N 423.719 5.244 0 40 HKAB CCOc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1OCC 13007146 LAYUCCBPKNGLCQ-OAQYLSRUSA-N 413.564 5.395 0 40 HKAB O=C(COc1ccc2oc3ccccc3c2c1)Nc1c(Cl)cccc1C(F)(F)F 13063111 IGXNYWWDDSELAQ-UHFFFAOYSA-N 419.786 6.276 0 40 HKAB Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)n2C)c1 13137474 MYOQMCZJYNEKIU-GFCCVEGCSA-N 421.353 5.217 0 40 HKAB O=c1[nH]c(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc2sc3c(c12)CCCC3 13943036 VIBQYGNBBZEGIC-UHFFFAOYSA-N 422.937 5.763 0 40 HKAB FC(F)(F)c1ccccc1CN(Cc1ccncc1)Cc1ccc2c(c1)OCO2 13989745 XXQJPBDSMDEZNL-UHFFFAOYSA-N 400.400 5.032 0 40 HKAB Cc1ccc(-n2nc(C)c(/C=C(\C#N)C(=O)Nc3ccccc3C)c2Cl)c(C)c1 15480485 HABQWHRLLZMOHY-LDADJPATSA-N 404.901 5.305 0 40 HKAB Cc1ccc(C(=O)Oc2ccc3ccccc3c2-c2cc(=O)n3c(n2)CCCCC3)cc1 16769144 LCEVDYICSIFMPR-UHFFFAOYSA-N 424.500 5.318 0 40 HKAB CC(C)(C)CC(=O)N[C@H](C[C@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1 19082763 KTUJFLCRFLYJLH-FYYLOGMGSA-N 411.565 5.259 0 40 HKAB COc1cc2c(cc1OC)[C@@H](C[C@@H](C)c1ccccc1)N[C@@H](c1cccnc1OC)C2 19456731 YCOANWSXIOOPPL-NLSFWIRASA-N 418.537 5.229 0 40 HKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)c2[nH]nc3c2CCCCC3)n1 19690548 LWVNOKAPDLBJFH-QHCPKHFHSA-N 400.526 5.026 0 40 HKAB CCOc1ccc(C2=C/C(=C3/N=C(c4ccccc4)OC3=O)c3ccccc3O2)cc1 20070034 YRLZGVBUAMRJLJ-FLFQWRMESA-N 409.441 5.234 0 40 HKAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccc(-c2ccc(CO)o2)c1 20144535 CSWAPYGWUFLHTG-UHFFFAOYSA-N 406.265 5.072 0 40 HKAB O=C(O)Cc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 20151081 YVKGDYRRNAAIEI-PKNBQFBNSA-N 415.367 5.244 0 40 HKAB S=c1[nH]nc(-c2ccccc2)n1NCc1cccc(OCc2ccccc2Cl)c1 22110112 MJNIMGLARKKPFW-UHFFFAOYSA-N 422.941 5.584 0 40 HKAB O=C(NC1CCCCCC1)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 23908034 LTBHYEIQWJQFPV-UHFFFAOYSA-N 413.565 5.246 0 40 HKAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)[C@H]1C[C@H]1c1ccccc1 27921651 CJFJYYHCFPPUIF-PMACEKPBSA-N 424.342 5.053 0 40 HKAB O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 32623202 FHSRHOQLQVQTCA-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB CC(C)(C)c1ccc(Nc2nc3ccccc3nc2Nc2ccc(C(C)(C)C)cc2)cc1 32647067 MIINJHJXXNZAND-UHFFFAOYSA-N 424.592 7.712 0 40 HKAB Cc1c(C(=O)O)sc2[nH]c(=O)cc(CSc3c(Cl)cccc3Cl)c12 32885615 GAWFIKJGTFKRDO-UHFFFAOYSA-N 400.308 5.195 0 40 HKAB CCOc1ccc(-c2ccc(SCc3nc(-c4ccccc4Cl)no3)nn2)cc1 33262486 HGMSZHQHAOXVGU-UHFFFAOYSA-N 424.913 5.538 0 40 HKAB O=C(CSc1nnc2c(n1)-c1cccc3cccc-2c13)Nc1ccccc1Cl 34791673 SOWZBDXJHQXWNX-UHFFFAOYSA-N 404.882 5.056 0 40 HKAB C[C@H](OCCCNC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1ccccc1 36397112 MOCIGAJJUKBTTC-TYPHKJRUSA-N 420.578 5.630 0 40 HKAB Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1Cl 38849667 CPMYEZRLEDNFBR-HNNXBMFYSA-N 411.760 5.806 0 40 HKAB Cc1nc(CSc2nnc(NC(=O)C3(c4cccs4)CCCC3)s2)cs1 43939681 JSRSQYBGHOVENI-UHFFFAOYSA-N 422.626 5.107 0 40 HKAB Cc1ccc(C)c(-c2cc3c(SCc4cccc(Br)c4)nccn3n2)c1 45925476 LMKWEABXDBATQM-UHFFFAOYSA-N 424.367 6.068 0 40 HKAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(Cc1ccc(Cl)cc1)CO2 54278199 LFGMSNZQBQZWMX-UHFFFAOYSA-N 417.892 5.774 0 40 HKAB biogenic Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2F)nc1 67296564 QGUMFKGZWLJNKA-ROMGYVFFSA-N 407.832 5.413 0 40 HKAB O=C(Nc1cccc2c(NC(=O)C3[C@H]4CCCC[C@H]34)cccc12)C1[C@H]2CCCC[C@H]12 100044797 HUUNVNZQBWVCGT-MUGJNUQGSA-N 402.538 5.589 0 40 HKAB Cc1noc(C)c1CC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCC[C@H](C)[C@H]1C 106179349 XTIMGIRHXULJEU-PXIJXODZSA-N 406.929 5.480 0 40 HKAB CC(C)c1ccc(OCc2nnc(SCc3ccc(Cl)cc3Cl)n2C)cc1 107776087 HYPTXWYPGYREJO-UHFFFAOYSA-N 422.381 6.117 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OC(C)C 214200685 ZLLMHQANIWZDTI-UDWIEESQSA-N 415.486 5.248 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4cccc(C(=O)O)c4)o3)N21 222712687 KNPOPJMDJSIINL-TYCQWZJGSA-N 419.506 5.019 0 40 HKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 222980441 VMIYLJBYZMOUFY-LEWJYISDSA-N 409.580 5.598 0 40 HKAB C[C@@H]1CCCN(c2ccc(NC(=S)NCc3ccc(-c4ccccc4)o3)cn2)C1 223910994 IDPDJYNFDKJENQ-QGZVFWFLSA-N 406.555 5.065 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccc(Cl)c(C)c1 224202504 VQFIGLNQDPBDTH-QGZVFWFLSA-N 409.913 5.727 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccccc1Cl 224479159 VHTCCBHSCBGTLD-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB CC(C)c1ccccc1O[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O 225133999 PDSZXJDCPMAZMH-QHCPKHFHSA-N 410.897 6.330 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccc(F)cc2)CCOCC1 225573570 ZMPFJQBBSMPVHA-UHFFFAOYSA-N 405.469 5.092 0 40 HKAB COC(=O)c1ccc(C)c(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)c1 225768156 YAFAJDSLLAPDQZ-HSZRJFAPSA-N 418.562 5.474 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccccc1 225881772 WERIJDBYCZUPSP-YVUGPFRESA-N 404.535 5.095 0 40 HKAB Cc1cc(-c2nc3cc(-n4cccc4)cc(C)c3o2)ccc1I 226248140 BXJZPDAWULZNFV-UHFFFAOYSA-N 414.246 5.507 0 40 HKAB Cc1cc(Br)cc(C)c1NC(=O)c1cc(N)ccc1N1CCC[C@@H](C)C1 226324383 GDIRUTACLGEHFI-CYBMUJFWSA-N 416.363 5.137 0 40 HKAB COC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 247867741 YMEYKMXIYVMIEW-LZRWVWJESA-N 402.321 6.077 0 40 HKAB Clc1ccc(/C(=C\C=Nc2cccc(Cl)c2)Nc2cccc(Cl)c2)cc1 254287245 RKBWMTDSKPNPDI-HDQYPBAESA-N 401.724 7.502 0 40 HKAB O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)cc1Cl)c1cccc(F)c1 408628334 WYMOAXLXYLBUJF-UHFFFAOYSA-N 410.297 5.528 0 40 HKAB COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)c(C)c3)n2)cc1 408693759 DBEZXKMRKWYJSP-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc4ccccc34)nn2-c2ccc(F)cc2)c1 408697952 KHQPNQWEXWLQGM-UHFFFAOYSA-N 422.463 5.787 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(Cl)cc2)c1 408699410 UCJARFXCVVPZIE-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3ccccc3)sc2c1 408750915 UBELPWRFDIGZBR-IAGOWNOFSA-N 408.548 5.268 0 40 HKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)C1=O 409061538 FECANNFWWHFTDD-UNOMPAQXSA-N 419.905 5.895 0 40 HKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1C 409106676 SJGIWISHMVAWLJ-UHFFFAOYSA-N 419.981 6.421 0 40 HKAB CCOc1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 990330 LSJCDUVMSLWFON-UHFFFAOYSA-N 405.064 5.500 0 40 HKAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NC4CCCCC4)c23)C1 1377272 XIIAZZYKMVCRJS-ZDUSSCGKSA-N 415.628 5.235 0 40 HKAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c12 1378206 YQCDYUBUESUMRE-UHFFFAOYSA-N 415.468 5.210 0 40 HKAB Cc1ccc([C@H](CCCNCc2ccc3c(c2)OCO3)[C@@H]2CCOC(C)(C)C2)cc1 1821338 LXJMHRPUYRUYNE-PKTZIBPZSA-N 409.570 5.583 0 40 HKAB biogenic CCCCSc1nnc2c(n1)O[C@H](c1c(F)cccc1Cl)Nc1ccccc1-2 2741814 YTCLPBAOVWGKSK-GOSISDBHSA-N 416.909 5.726 0 40 HKAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 3190476 QDZHVDJQQFUSJT-NSIFAMOJSA-N 415.492 5.411 0 40 HKAB biogenic COc1ccc(-c2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)cc1 3321908 HDPCQQACKKLKMM-UHFFFAOYSA-N 400.503 5.589 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](c1ccccc1)N1CCCCCC1 3355217 QVXLPKPVPOOQFG-IBGZPJMESA-N 410.867 5.915 0 40 HKAB O=C(c1ccccc1F)c1cc(Cl)ccc1NC(=O)c1ccccc1C(F)(F)F 3428078 ROXVIUDPAWYOIS-UHFFFAOYSA-N 421.777 5.981 0 40 HKAB FC(F)(F)c1cc(-c2ccccc2)nc2cc(-c3ccc(Cl)c(Cl)c3)nn12 4014447 LTDKYMJNUDWKSQ-UHFFFAOYSA-N 408.210 6.389 0 40 HKAB CCCCCCc1c(C)c2cc(Cl)c(OCc3cccc(OC)c3)cc2oc1=O 4042918 KZDXLKAEBWPKFX-UHFFFAOYSA-N 414.929 6.465 0 40 HKAB biogenic CCN(CC)c1ccc2cc(-c3nnc(Nc4ccccc4F)s3)c(=O)oc2c1 4063983 GDEGSYAGMWDFGQ-UHFFFAOYSA-N 410.474 5.040 0 40 HKAB Cc1ccc(C(=O)CSc2cc(C)nc(SCc3ccc(Cl)cc3)n2)cc1 4130207 AORNZDSVEYVPIW-UHFFFAOYSA-N 414.983 6.014 0 40 HKAB O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)C1c2ccccc2Oc2ccccc21 4370818 UCIWIGVFRQWANE-UHFFFAOYSA-N 417.468 5.878 0 40 HKAB O=C1CS[C@@H](c2ccc(Cl)cc2Cl)c2c(O)nn(C3CCCCC3)c2N1 4559402 ZRRJYNQLHWEORS-INIZCTEOSA-N 412.342 5.175 0 40 HKAB CCCc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)[C@H](C)[C@H]2CC)cc1 4663738 JAOGGJZRZKWTLZ-CMTYHFORSA-N 412.577 6.867 0 40 HKAB Cn1c(Cc2cccc3ccccc23)nnc1SCc1ccc(C(C)(C)C)cc1 4700182 RJPCKZBKLMBHFM-UHFFFAOYSA-N 401.579 6.149 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCC(=O)O)cc1 4814141 FEVDLZJUSLWDNE-VWLOTQADSA-N 410.473 5.163 0 40 HKAB CC(C)Oc1cccc(-c2nnc3n2N=C(c2ccc4ccccc4c2)CS3)c1 5072377 OHFAHQJOWXUYPU-UHFFFAOYSA-N 400.507 5.244 0 40 HKAB CCc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)cc1 5235895 KELZAIWCCSBOCN-FQEVSTJZSA-N 413.496 5.307 0 40 HKAB O=C(Nc1oc2ccccc2c(=O)c1-c1cccc2ccccc12)c1ccc(F)cc1 5350503 NZZFCBPRKNZZDC-UHFFFAOYSA-N 409.416 6.005 0 40 HKAB Cc1cc(C)c2cc(CN(Cc3cccs3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 5904934 POBPLWBAZACIGR-UHFFFAOYSA-N 423.582 5.251 0 40 HKAB O=C(Nc1cn(-c2ccccc2)nc1-c1ccccc1)c1cc(F)c(F)c(F)c1F 5958697 JREPLWKUGBLDBM-UHFFFAOYSA-N 411.358 5.348 0 40 HKAB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1ccc(Cl)cc1 6063746 HZHJXERKRFGMPU-UHFFFAOYSA-N 416.864 5.351 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCC(C)C)c2ccccc12 6205971 HLNWIPBGKUNVDN-JOCHJYFZSA-N 422.550 5.642 0 40 HKAB O=S(=O)(Nc1ccccc1Oc1ccccc1)c1cccc(Br)c1 6328363 PVEHVKQWEJITJD-UHFFFAOYSA-N 404.285 5.042 0 40 HKAB Cc1ccc(NC(=O)c2ccc(CSc3nc4ccccc4o3)cc2)cc1Cl 6478143 IRQIRCUOWVDSQH-UHFFFAOYSA-N 408.910 6.334 0 40 HKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(C)c(Cl)c2)cc1 6630396 LCWXILIVTGLZKI-UHFFFAOYSA-N 408.885 5.067 0 40 HKAB CCN1C(=O)S[C@@H](Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O 6952395 PYIFDRVHOSIOEQ-KRWDZBQOSA-N 410.322 5.199 0 40 HKAB CSc1cccc2sc(N(Cc3cccnc3)C(=O)/C=C/c3ccccc3)nc12 7571568 MNSYPRRVUCSSDG-OUKQBFOZSA-N 417.559 5.660 0 40 HKAB Clc1ccccc1-c1noc(CSc2nc(C3CC3)n(-c3ccccc3)n2)n1 8132731 ZIAYCZRDAFXSQR-UHFFFAOYSA-N 409.902 5.140 0 40 HKAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(COc2ccccc2)o1 8156669 RJCWPCVQVBORIE-UHFFFAOYSA-N 404.510 5.121 0 40 HKAB CC(C)CCOc1ccccc1C(=O)Nc1ccc(OCCOc2ccccc2)cc1 8162423 LNPVAZJXMPULAX-UHFFFAOYSA-N 419.521 5.822 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8475505 IBWSYNCFNXUJSL-CQSZACIVSA-N 404.853 5.231 0 40 HKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1 8903716 VPAFBEXYXHQOMQ-CQSZACIVSA-N 412.511 5.291 0 40 HKAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1cccc(Cl)c1Cl 10139790 OCSHTIBWMWJLPE-UHFFFAOYSA-N 402.325 5.293 0 40 HKAB COc1cc(OC)c(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)cc1Cl 10905667 AVXZVVPVYHCQDO-UHFFFAOYSA-N 410.857 5.009 0 40 HKAB c1ccc(-c2c3c(nc4sc5c(c24)CCCC5)CCCCCCCCCC3)cc1 12970761 CAAXGHVHIAVWFE-UHFFFAOYSA-N 403.635 8.062 0 40 HKAB CCCSc1nc(NCc2ccccn2)c2c3c(sc2n1)COC(C)(C)C3 13228269 KOSRZTNKLFAWCX-UHFFFAOYSA-N 400.573 5.052 0 40 HKAB Cc1nn(-c2ccccc2)c2sc(-c3nnc(S)n3CCc3ccccc3)cc12 13535209 FGPNAZCRAJGORN-UHFFFAOYSA-N 417.563 5.185 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=O)CCSCc1ccccc1)c1ccccc1 13684886 PNAOYICDODJUFY-LJQANCHMSA-N 418.562 5.440 0 40 HKAB COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(C)cc2)cc1 13788265 NIMRBRJRJHIHNO-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB Cc1ccc(NC(=O)Cc2nc(-c3ccc(NC(=O)C(C)C)cc3)cs2)c(C)c1 14244088 JGHMQTJLSDJXEV-UHFFFAOYSA-N 407.539 5.203 0 40 HKAB COc1ccc(-c2noc(CN3CCc4sccc4[C@H]3c3cccs3)n2)cc1 15548830 NDYGDUPWUYUQGQ-FQEVSTJZSA-N 409.536 5.016 0 40 HKAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccc(Cl)cc2)cc1 15880445 MYSYZPJCLPHUBV-UHFFFAOYSA-N 407.853 6.023 0 40 HKAB biogenic COc1ccccc1NC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1cccs1 16030525 UCCHRRYRWQRDOC-FDDCHVKYSA-N 420.534 5.188 0 40 HKAB O=C(Sc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)c1ccc(Cl)cc1 16401128 ZSGQNGGYHJBQFA-UHFFFAOYSA-N 411.788 5.568 0 40 HKAB Clc1ccccc1CNCc1cc(Br)ccc1OCc1ccccc1 16480573 YLTNZFSCYOQGCP-UHFFFAOYSA-N 416.746 5.971 0 40 HKAB COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cc3ccc(Cl)cc3)n2)c1 17083077 MDXVSWSGKGABHM-UHFFFAOYSA-N 404.897 5.936 0 40 HKAB CCCC(=O)Nc1nc2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2s1 17088998 IRNYHKNGGFBGKC-UHFFFAOYSA-N 411.571 5.580 0 40 HKAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 20140077 ALLOBQOMKFASHV-UHFFFAOYSA-N 410.640 5.857 0 40 HKAB CCc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 20197107 HTAHQMXLTCBZRP-UHFFFAOYSA-N 422.337 5.260 0 40 HKAB CCCOc1cccc([C@H]2C(C(=O)OCC)=C(CCC)Nc3nc4ccccc4n32)c1 20672397 ZQUQHFMETGJDDN-QHCPKHFHSA-N 419.525 5.457 0 40 HKAB CC1CCC(Nc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)CC1 25720378 FFMWOEAQZRLFTF-UHFFFAOYSA-N 422.598 5.181 0 40 HKAB Cc1ccc(-c2nnc([C@H](C)OC(=O)C(C)(C)Oc3ccc(Cl)cc3)o2)cc1 26420488 ZRWKKNAULONAGQ-AWEZNQCLSA-N 400.862 5.160 0 40 HKAB Fc1ccc(-c2noc(CSc3ccc(-c4ccccc4F)nn3)n2)cc1Cl 33267990 AHWDRNJEOGUANT-UHFFFAOYSA-N 416.840 5.418 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 34629790 NWQBDOPDVUJEGJ-DDLCNDOBSA-N 404.679 6.439 0 40 HKAB O=C(Cc1ccc(NC(=O)C2(c3cccs3)CCCC2)cc1)NCc1cccs1 38678479 QDWWXSHPJSSUSN-UHFFFAOYSA-N 424.591 5.119 0 40 HKAB CCOc1cc(/C=C/C(=O)N(C2CC2)[C@@H](C)c2ccccc2F)ccc1OC(F)F 40070304 ICLKTBZPFCKOAB-GLNPCMGASA-N 419.443 5.591 0 40 HKAB O=C(c1cccc(F)c1)N1C(=S)C(c2ccc(Cl)cc2)=NC12CCCCCC2 45933251 GWKAGACHZQWKSC-UHFFFAOYSA-N 414.933 5.802 0 40 HKAB COc1ccc(-n2ccc(C(=O)Nc3cccc(C4SCCCS4)c3)n2)cc1 55979482 NILBUWXNYXPJSZ-UHFFFAOYSA-N 411.552 5.002 0 40 HKAB CCCN(Cn1nc(-c2ccccc2)c2ccccc2c1=O)[C@H]1CCc2ccccc21 58162816 MZDWCWZNFZSYNB-VWLOTQADSA-N 409.533 5.421 0 40 HKAB COc1ccc(CNC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1 64472636 WVJUNYXIBJTOLI-UHFFFAOYSA-N 402.519 5.453 0 40 HKAB COc1ccc(N2C(=O)CC[C@H](Sc3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 65090573 CGRQLGWTWPXMCZ-ZCYQVOJMSA-N 403.547 6.033 0 40 HKAB CCCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 72215827 WZRQOJMCPBDVJC-QFIPXVFZSA-N 409.574 6.482 0 40 HKAB O=C(Nc1cccc(Cn2cccn2)c1)N(Cc1ccc(F)cc1)C1CCCCC1 72275394 OHBFOICCTQJIKG-UHFFFAOYSA-N 406.505 5.437 0 40 HKAB Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 72349865 ZEJGYJTYJSCNTL-KRWDZBQOSA-N 411.958 5.111 0 40 HKAB Cc1n[nH]c(-c2ccc(NCc3cccc(NC(=O)c4ccccc4Cl)c3)cc2)n1 89708946 RPEYGMNOYHHKLW-UHFFFAOYSA-N 417.900 5.298 0 40 HKAB CC1(C)C[C@H]2C[C@@](C)(CN2c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)C1 101246068 QKCZBQGNBAWCDZ-MGPUTAFESA-N 409.883 6.221 0 40 HKAB COc1ccc(-c2cc(C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c3ccccc3n2)cc1 102145441 FVPUNLNGPGOZLS-WINIVTDRSA-N 414.549 5.951 0 40 HKAB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 106971978 IPBABBQEPZFREE-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB Cc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4ccc(C)c(C)c4)o3)sc2c1 107758807 MSOMOKYLQVNXRG-UHFFFAOYSA-N 421.547 5.608 0 40 HKAB O=S(=O)(c1ccc(-c2ccc(O)cc2)cc1)c1ccc(-c2ccc(O)cc2)cc1 114637867 YZWHABYDMRBPOC-UHFFFAOYSA-N 402.471 5.265 0 40 HKAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cc(Cl)c2nc(N)sc2c1 216787402 ZCHILPVKFPYPLG-UHFFFAOYSA-N 416.717 5.165 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219350131 MLFUIYIYNBCMHG-DHIUTWEWSA-N 419.521 5.424 0 40 HKAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCS[C@H](c2ccco2)CC1 219411849 VYHALGMQRIXKJV-NRFANRHFSA-N 404.491 5.408 0 40 HKAB CCOc1cc(C)c([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OCC 222649172 KOJLVYBJRGFKBO-URZJWIJPSA-N 411.571 5.167 0 40 HKAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(C)C)c1)c1ccc2c(c1)CCCC2 223108158 ZNXGDHDGERXNOZ-JOCHJYFZSA-N 401.572 5.127 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C)c2)cc1 224100903 DEVDNWXULFRNTA-UHFFFAOYSA-N 419.477 5.012 0 40 HKAB Cc1ccccc1[C@@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccccc1 224385611 JONLVALUSQFYIM-QHCPKHFHSA-N 413.945 5.927 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1CSc1ccc(C)cc1 224669212 AVVOGRVWUGVSTF-GOSISDBHSA-N 423.553 6.316 0 40 HKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(Br)cc2)c2ccccc2)cc1 225508703 KIQLIPXOBCZCCJ-FQEVSTJZSA-N 411.368 5.834 0 40 HKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc(C)c1OC(C)C 225530219 WAIIAQIOIJZGEF-UHFFFAOYSA-N 420.380 6.848 0 40 HKAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225641664 XFADBSFEMNXLOC-GFCCVEGCSA-N 413.768 5.165 0 40 HKAB Cc1ccc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)cc1N1CCCC1=O 225661363 DRLPAXCVUADULD-SFHVURJKSA-N 409.599 5.165 0 40 HKAB COc1cc(C)c(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C(C)C 225664654 XSNWFUZIHMZTCP-UHFFFAOYSA-N 421.924 6.264 0 40 HKAB CCc1cccc(C)c1NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225803217 HDJCKSBZGYKLSI-UHFFFAOYSA-N 403.404 5.198 0 40 HKAB Cc1cccc(NC(=O)c2sc3nc(C(F)(F)F)c4c(c3c2N)CCCC4)c1 257173809 XXHNQVKDPMXIEN-UHFFFAOYSA-N 405.445 5.337 0 40 HKAB Cc1cc(C)n(-c2cccc([C@H]3C[C@@](C)(NC(=O)C(C)C)[C@@H]4CC[C@@H](C)C[C@H]4O3)c2)n1 257226744 FLYFEHXUEPPYDW-OTJYMVIVSA-N 423.601 5.286 0 40 HKAB CC(=O)N[C@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(Br)cc2)C1 257251544 JREMTDOYDBMYAA-AABGKKOBSA-N 406.295 5.076 0 40 HKAB CC[C@@H]1O[C@@H]2c3cc(C(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1cccc(Cl)c1 257267122 MGAXRHAXIMJNKI-BOFXEDATSA-N 400.902 5.849 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2cccc(C)c2)cc1 408699047 RCWIDRBSNSWRNU-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CCOc1ccc(Cl)cc1/C=C1\S[C](Nc2cc(Cl)ccc2OC)NC1=O 408815846 VGWMFPAQNYTPPJ-UHFFFAOYSA-N 424.329 5.164 0 40 HKAB CCCc1sc(NC(=O)c2ccccc2OC)nc1-c1cc(OC)ccc1OC 408830839 PYLJSXVVTSACAB-UHFFFAOYSA-N 412.511 5.041 0 40 HKAB Clc1ccc(CSc2nnc(COc3ccc4ccccc4c3)o2)cc1Cl 409006496 KATCJHJSOGLDPS-UHFFFAOYSA-N 417.317 6.401 0 40 HKAB CCc1sc2nc(SCc3ccc(F)cc3)n(-c3ccc(C)cc3)c(=O)c2c1C 409111186 BLCGLSQHALHUKY-UHFFFAOYSA-N 424.566 6.058 0 40 HKAB CCCN1C(=O)/C(=C\c2c(OCC)ccc3ccc(OCC)cc23)c2ccccc21 409112448 GNVFWEFFZOFUBJ-QJOMJCCJSA-N 401.506 5.934 0 40 HKAB Cc1cccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)c1 409116104 OHRJECAJMMXFMA-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1ccc(C(=O)Nc2cccc3ccccc23)cc1S(=O)(=O)Nc1ccccc1 409383959 RFUPZMNWDWGXKF-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Br)cc1 993097 QFEJUKOXWPFNHR-UHFFFAOYSA-N 419.278 5.321 0 40 HKAB Nc1c(C(=O)Nc2ccccc2)sc2nc3c(c(-c4ccco4)c12)CCCCC3 1247413 WLYUMERUIIJNTN-UHFFFAOYSA-N 403.507 5.660 0 40 HKAB Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 1380085 DGUHYQUQRNUSTK-NRFANRHFSA-N 408.523 5.096 0 40 HKAB O=C(Nc1nc(SCc2ccc(F)cc2)ns1)c1ccc(Cl)cc1Cl 1428386 ALXRJPIVKAMIMD-UHFFFAOYSA-N 414.314 5.529 0 40 HKAB COc1ccc2c(C)cc(SCC(=O)Nc3ccc(SC(F)F)cc3)nc2c1 1465425 SYLQRTVTAWJMRH-UHFFFAOYSA-N 420.506 5.597 0 40 HKAB CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)SC3 1817105 VBHMYBMELBXKQH-UHFFFAOYSA-N 402.610 5.436 0 40 HKAB COc1ccc([C@@H]2OC[C@@]3(COC(=O)c4ccccc4)[C@H](C)C=C(C)[C@H]2[C@H]3C)cc1 2126698 VGRINMHUNLQXBU-UMAAYNDHSA-N 406.522 5.458 0 40 HKAB biogenic Cc1cccc([C@H](CC(=O)NCC2(c3ccccc3)CCCC2)c2ccccc2)c1O 2249813 JTZNJIRJPTVSPF-RUZDIDTESA-N 413.561 5.851 0 40 HKAB COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc(Br)cc1 2275807 HKAVYILUCSWMAE-FQEVSTJZSA-N 409.283 5.229 0 40 HKAB CSc1nc(NC[C@@H]2CCCO2)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 2409623 NEBYDFAMOZXBFD-LBPRGKRZSA-N 414.600 5.164 0 40 HKAB CCOCCCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 2412422 CLVZPLNPQGPBAI-UHFFFAOYSA-N 414.575 5.053 0 40 HKAB O=C(Oc1ccccc1Br)c1ccc(COc2cccc3ccccc23)o1 2750934 KFFMTXAXAHVCJL-UHFFFAOYSA-N 423.262 5.994 0 40 HKAB Cc1cccc(-c2nsc(SCC(=O)Nc3nc4ccc(C)cc4s3)n2)c1 2917577 AXJWCOSPYPPADO-UHFFFAOYSA-N 412.565 5.162 0 40 HKAB COc1ccccc1Cn1c(SCc2cccc(Cl)c2)nc2ccccc2c1=O 2969975 UBUUDCDOCSQFRU-UHFFFAOYSA-N 422.937 5.399 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 3109490 QTEPEFHLDWPLND-UHFFFAOYSA-N 402.346 6.846 0 40 HKAB CCOC(=O)c1csc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1 3168711 VCUYHNKBBFAQMV-UHFFFAOYSA-N 420.412 5.258 0 40 HKAB COc1ccccc1/C=C(/C(=O)OCC(=O)c1ccc(Cl)cc1)c1ccccc1 3309201 MKMHYROEXGTSNN-RCCKNPSSSA-N 406.865 5.315 0 40 HKAB Cc1ccc(-c2ccc(SCC(=O)Nc3ccccc3C(F)(F)F)nn2)cc1 4356014 IAUWIHDLNITZCD-UHFFFAOYSA-N 403.429 5.202 0 40 HKAB Cn1cc([C@H]2C(c3ccccc3)=NN=C(c3ccc(Cl)cc3)N2O)c2ccccc21 4406280 KNZIVZFGCUJVSS-QHCPKHFHSA-N 414.896 5.429 0 40 HKAB Clc1ccccc1Cn1c(SC23CC4CC(CC(C4)C2)C3)nc2ccccc21 4494399 PUBGMBSPBNADTK-UHFFFAOYSA-N 408.998 6.799 0 40 HKAB CCOc1ccc(C(=O)Nc2nc(-c3ccccc3)cs2)cc1Br 4592673 PNKRWDFZQJCTDT-UHFFFAOYSA-N 403.301 5.224 0 40 HKAB COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc(-c4ccccc4)cn32)cc1 4863804 JFTILVQNPZNWOL-DEOSSOPVSA-N 413.908 6.326 0 40 HKAB C[C@@H](Nc1ccccc1)[C@@H]1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1 5160802 RJOCGTBCVRCQJS-XGRCMKMKSA-N 404.897 5.114 0 40 HKAB CCCN(CCC)C[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 5838709 GQVYZGLHUGDJLC-OAHLLOKOSA-N 408.386 5.428 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3cccc(Br)c3)sc2C)cc1 6185376 VBXWLEBKZLQKOS-UHFFFAOYSA-N 403.301 5.142 0 40 HKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C1=O 6657252 GLVVOOYSRHZOEN-PXLXIMEGSA-N 403.503 5.865 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)C(C)(C)C)cc3)nc2c1 6713225 DQRBJAYVUYYRIY-CQSZACIVSA-N 409.555 5.867 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(N(C)Cc4ccccc4)ncnc32)cc1 6871595 BCSBXKLIYUNNNK-UHFFFAOYSA-N 420.516 5.733 0 40 HKAB Cc1cccc(NC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c1 6934466 ABVZAKISOAVYFQ-UHFFFAOYSA-N 415.902 5.093 0 40 HKAB COc1cc(Cl)c(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1OC 7063264 TWAWXUNPVSVSLB-UHFFFAOYSA-N 416.908 6.500 0 40 HKAB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)C(c1ccccc1)c1ccccc1 7389387 VCSUUNTXJNHVML-UHFFFAOYSA-N 419.484 5.338 0 40 HKAB COc1cc(CNC2CCCCCCC2)cc(Cl)c1OCc1ccccc1F 7523381 FPSKCGBDLHRSIV-UHFFFAOYSA-N 405.941 6.269 0 40 HKAB COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCCc1ccccc1 7540195 AHIIUHIDMPDKBC-UHFFFAOYSA-N 400.522 5.130 0 40 HKAB CCOc1ccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1 7639652 XUNYQTGYCMJNKD-UHFFFAOYSA-N 416.477 5.675 0 40 HKAB O=C(Oc1ccc(-c2nnco2)cc1)c1oc2ccccc2c1COc1ccccc1 7780619 UOAIVKCQKPRBAS-UHFFFAOYSA-N 412.401 5.281 0 40 HKAB Cc1ccc(C)c(Sc2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)c1 8267043 NHFQEKNVJSIKNJ-UHFFFAOYSA-N 416.546 5.834 0 40 HKAB CSc1ccc(-c2cc(OC(=O)c3cccs3)c3c(C)oc(C)c3c(=O)c2)cc1 8876884 SAOLSNONRIZKOL-UHFFFAOYSA-N 422.527 6.079 0 40 HKAB biogenic O=C(c1cc(Cl)c2c(c1)OCO2)N1CCCC[C@@H]1c1nc2ccccc2s1 9581908 QKYYMGNKDAHCOT-OAHLLOKOSA-N 400.887 5.046 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)cc(=O)c3c2)cc1OC 9660188 BRTDXOXGGRALGI-UHFFFAOYSA-N 415.445 5.038 0 40 HKAB biogenic CCCCCN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccccc2)c2ccccc21 10342421 YPMFIAPJFSJZLS-SANMLTNESA-N 411.505 5.149 0 40 HKAB Cc1cc(C)c(C)c(Cn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c1C 11667378 SQOWNXJLDXJSOZ-IBGZPJMESA-N 401.510 5.402 0 40 HKAB O=c1cc(-c2ccccc2)oc2cc(OCc3ccc(Br)cc3)cc(O)c12 11865695 VLXQRVNNSFTXBU-UHFFFAOYSA-N 423.262 5.507 0 40 HKAB biogenic Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccccc1)O2 12192666 OCUYEVYYIQOLCN-IFMALSPDSA-N 405.295 5.691 0 40 HKAB Cc1ccn2c(NC(=O)COc3ccc(Cl)cc3C)c(-c3ccc(F)cc3)nc2c1 12524806 RNOWYFULCSZIQY-UHFFFAOYSA-N 423.875 5.428 0 40 HKAB Cc1ccc(Cn2c([C@H]3CC(=O)N(Cc4ccc(F)cc4)C3)nc3ccccc32)cc1 12538674 OTDSYHCNVGRBFX-NRFANRHFSA-N 413.496 5.048 0 40 HKAB O=S(=O)(c1c(Cl)cccc1Cl)N(Cc1cccs1)Cc1cccs1 12821761 MPCRIDWEINCFIF-UHFFFAOYSA-N 418.392 5.508 0 40 HKAB CC(C)Cn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccccc1F 13121441 SPIUWFXCWIUSEN-HNNXBMFYSA-N 423.517 5.644 0 40 HKAB CCC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C[C@@H]1c1ccco1 13128641 XFLQLCGPKSNHNP-HSZRJFAPSA-N 424.504 5.528 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CCC4=C(CC[C@@]4(C)[C@@H](C)OC(C)=O)[C@H]3CC[C@@]2(C)C1 13401370 PFGGRDCYFHNFSS-IARRXIPVSA-N 416.602 5.983 0 40 HKAB O=S(=O)(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc(Cl)cc1 13673897 ZHGVODAMISMZHU-UHFFFAOYSA-N 424.374 6.087 0 40 HKAB Cc1ccc(-c2csc(NC(=O)[C@H](c3ccccc3)N3CCC(C)CC3)n2)cc1 14129690 RKIJUGAZATYPGW-QFIPXVFZSA-N 405.567 5.530 0 40 HKAB COc1cc(NC(=O)CSC(c2ccccc2)c2ccccc2)cc(OC)c1OC 14472725 CGBWVVSPGLVFDQ-UHFFFAOYSA-N 423.534 5.174 0 40 HKAB O=C(Cc1csc(-c2ccccn2)n1)N1CCc2sccc2[C@@H]1c1cccs1 14704178 RFGZPAFRLXZZAQ-HXUWFJFHSA-N 423.588 5.045 0 40 HKAB O=C(c1ccccc1)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN12 15227304 OZSZXMFQMKYKMV-SQHAQQRYSA-N 404.469 5.592 0 40 HKAB CC[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)C(=O)OC 16757576 QFMNVPDZXSIUEG-IBGZPJMESA-N 403.507 5.131 0 40 HKAB Fc1ccc(-c2nn(-c3ccc(Cl)cc3)c(-c3ccc(F)cc3)c2Cl)cc1 17082126 ZXJKHTDACWKEGD-UHFFFAOYSA-N 401.243 6.791 0 40 HKAB O=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)c1cc(Cl)sc1Cl 18706183 ZBUXZAJXYJGWIN-UHFFFAOYSA-N 412.298 5.823 0 40 HKAB COc1ccc(CC(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)cc1 19691111 XCODNZBYCPJCHH-UHFFFAOYSA-N 400.522 5.014 0 40 HKAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 20110321 NCIRUYHULGMCQL-JTQLQIEISA-N 419.852 5.495 0 40 HKAB Cc1cc2nc(-c3cc(Br)ccc3Cl)oc2c(Br)c1C 20156808 WJKAOJQCDFKRJK-UHFFFAOYSA-N 415.512 6.290 0 40 HKAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(-c3cccc(C(F)(F)F)c3)o1)OCO2 22372140 GGQAXNVSHVNOAW-UHFFFAOYSA-N 417.339 5.149 0 40 HKAB C[C@H]1CCCN(c2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3ccc(F)cc23)C1 22573647 BWJHCPRODMDMQA-AWEZNQCLSA-N 418.921 5.096 0 40 HKAB Cc1nc(-c2cccc(NC(=O)c3ccccc3SC[C@H]3CCCO3)c2)cs1 27042020 VEEBXJTXEJKWMQ-GOSISDBHSA-N 410.564 5.642 0 40 HKAB CCCCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(F)cc3c2C)cc1 27583218 SHPXSUCFUBOVHF-UHFFFAOYSA-N 409.417 5.362 0 40 HKAB Cc1c(C(=O)N(Cc2ccco2)Cc2ccco2)oc2cc(Br)ccc12 27664175 KLOIPDDLPGSAML-UHFFFAOYSA-N 414.255 5.532 0 40 HKAB CC(C)(C)c1nnc(CSc2nc3ccccc3c(=O)n2CCC2=CCCCC2)o1 31843513 IZEBAIRZBGRTLI-UHFFFAOYSA-N 424.570 5.260 0 40 HKAB COc1ccc(C(C)=O)cc1CSCc1nc(-c2cccc(C(F)(F)F)c2)no1 32778663 DLOVDISVHBQVIP-UHFFFAOYSA-N 422.428 5.400 0 40 HKAB C[C@@H](NC(=O)CCc1c[nH]c2ccccc12)c1cccc(NC(=O)c2ccccc2)c1 36398538 HJVQQKNTDQVFNM-GOSISDBHSA-N 411.505 5.230 0 40 HKAB O=C(Cc1csc(NC(=O)C2CCCC2)n1)Nc1ccc2c(c1)Cc1ccccc1-2 38739337 YWOOYYMYVKMBCG-UHFFFAOYSA-N 417.534 5.024 0 40 HKAB Cc1ccc(-c2cnc(SCC(=O)Nc3nc(C)cs3)n2-c2ccccc2)cc1 44086049 CMEKHRXILOLHML-UHFFFAOYSA-N 420.563 5.343 0 40 HKAB Cc1ccccc1-n1c(-c2ccccc2)cnc1SCC(=O)Nc1nccs1 44086692 QHXCUYQONZNVNP-UHFFFAOYSA-N 406.536 5.035 0 40 HKAB Cc1c(Cl)cccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 67294588 ZJWNLQBXICMTTP-VYIQYICTSA-N 423.299 6.533 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2Cl)nc1 67296557 FGFNVNZGLVQCAW-ROMGYVFFSA-N 407.832 5.413 0 40 HKAB Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 72353865 FSQIGBNITXAISI-FQEVSTJZSA-N 405.929 5.049 0 40 HKAB CN(CCCC(=O)N1CCCC[C@H]1c1n[nH]cc1-c1cccc(F)c1)c1ccccc1 72356351 KJGIGDVANFLVFV-QHCPKHFHSA-N 420.532 5.186 0 40 HKAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1cnc(C)s1 72370702 WYKWYCMITUIUPB-INIZCTEOSA-N 413.612 5.013 0 40 HKAB CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@@H](c2ccc(Cl)cc2Cl)S1 85411999 OEKNJISUYSTUHL-QGZVFWFLSA-N 410.370 6.265 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccn(-c3ccc4ccc(-c5ccccc5)cn34)n2)c1 96038064 WUXOAGLNCKWXJX-UHFFFAOYSA-N 406.489 5.661 0 40 HKAB Brc1ccc(Cn2c(-c3ccccc3)cs/c2=N\c2ccccc2)cc1 102916237 LEXZYOOMLCWQNX-GYHWCHFESA-N 421.363 6.260 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 106741608 YKVXASFDVIVBHN-LPXFMOJISA-N 419.905 5.893 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(NC(=O)c4ccccc4C)c3)o2)cc1C 109023454 IEOHGVSYBZDOKS-UHFFFAOYSA-N 424.500 6.376 0 40 HKAB C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1 109124487 BYDWBBBCLHKVDW-NSHDSACASA-N 408.310 5.013 0 40 HKAB CCCOc1ccccc1CCCNC(=O)c1cccc(OCc2ccccc2)c1 218978784 LPDWYTDAZPNHAF-UHFFFAOYSA-N 403.522 5.417 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1C(C)C 223264880 WXJDMJIXIKFBMO-LOWQCSRCSA-N 406.353 6.324 0 40 HKAB Cc1ccccc1CN(C(=O)CCc1ccc(C(C)C)cc1)[C@H](C)C(=O)NCC(C)C 224137036 ZAQCQPCDKKIREK-JOCHJYFZSA-N 422.613 5.241 0 40 HKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 224416110 IXKPPNPLAHQDEY-GOTSBHOMSA-N 414.509 5.189 0 40 HKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CCCCC1 225013167 JJCXYTOXQUJEFM-BJKOFHAPSA-N 422.642 5.920 0 40 HKAB Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccc(Oc5ccccc5)cc4)cc3)nc2c1 225262534 NEAQVBCRRCCULI-UHFFFAOYSA-N 419.484 6.583 0 40 HKAB CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225308331 IVJVMKQDPIOSMU-VWLOTQADSA-N 420.597 5.184 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)N[C@@H](C)CC)cc1 225550061 LNOKWGXXTVYRHS-SQJMNOBHSA-N 422.613 5.212 0 40 HKAB Cc1cc(C)c(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 225647135 CIBNTKDKDSQFBC-UHFFFAOYSA-N 414.549 6.414 0 40 HKAB Nc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3F)o2)c(Cl)c1 227157877 HOEVHZTXDQVMBJ-UHFFFAOYSA-N 409.642 5.336 0 40 HKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2cc(F)ccc2F)C1 257308999 TZCKFGSCSUKCFO-VWPQPMDRSA-N 407.888 5.742 0 40 HKAB O=C(Nc1c(Cl)cccc1Cl)c1ccccc1NS(=O)(=O)c1ccccc1 408580920 SLWIBXIJWNICAI-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(F)cc2)c1C 408697340 JESUHTBVTKXPEE-UHFFFAOYSA-N 414.484 5.559 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc4ccccc34)nn2-c2ccccc2)c1 408698400 NJWLEYDWEIPAPF-UHFFFAOYSA-N 404.473 5.648 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(F)cc2)c1 408698785 PNMDUBSQPUKIEQ-UHFFFAOYSA-N 404.420 5.082 0 40 HKAB Cc1sc(Nc2c(Cl)cccc2Cl)nc1-c1ccc(Cl)c(Cl)c1 409054970 HMFJNIZJAIBQRM-UHFFFAOYSA-N 404.149 7.476 0 40 HKAB CCOc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 409100676 RJUVKDSSCQEWGS-UHFFFAOYSA-N 421.953 6.279 0 40 HKAB CCCN1C(=O)/C(=C\c2cc(Cl)cc(Br)c2OC)c2ccccc21 409119982 RQJXHVTVVJBWLE-GDNBJRDFSA-N 406.707 5.408 0 40 HKAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)c1 409239532 NSWKFSVORAFFPE-XDHOZWIPSA-N 424.909 5.486 0 40 HKAB Cc1cccc(NC(=S)N(Cc2ccco2)Cc2cc3cccc(C)c3[nH]c2=O)c1 884810 PJTZNDJFNSNROD-UHFFFAOYSA-N 417.534 5.137 0 40 HKAB COc1ccc(-c2csc(N(CCc3ccccc3)C(=O)c3ccco3)n2)cc1 929104 VEYVQADRCOHEST-UHFFFAOYSA-N 404.491 5.301 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2ccccc2C(F)(F)F)o1 936093 AOOKAFNTBCQYJT-UHFFFAOYSA-N 400.183 6.525 0 40 HKAB CCOC(=O)c1c(NC(=O)Nc2ccc(Br)cc2)sc2c1CCCC2 1052964 JDFIWTXPVYCSTK-UHFFFAOYSA-N 423.332 5.210 0 40 HKAB COc1ccccc1-c1csc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)n1 1513935 FCTGXPBMGRLPFI-UHFFFAOYSA-N 414.486 5.302 0 40 HKAB CC(C)c1ccc2oc(C(=O)c3ccccc3)c(-c3cnn(-c4ccccc4)c3)c2c1 2150436 XUMIVTGVJHFNFE-UHFFFAOYSA-N 406.485 6.640 0 40 HKAB CCCCOCSc1nc2c(c(=O)n1CC)C1(CCCCC1)Cc1ccccc1-2 2254691 VNPFPRXZRCHGNS-UHFFFAOYSA-N 412.599 5.555 0 40 HKAB CCn1c(SCCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2346626 GWUZTCPCMMBEFB-UHFFFAOYSA-N 416.590 5.633 0 40 HKAB biogenic COc1cc(Cl)c(C)cc1NC(=O)CSc1ncnc2sc(C)c(C)c12 2381699 CTEACOZPQIEGJB-UHFFFAOYSA-N 407.948 5.009 0 40 HKAB CC(C)c1ccc(NC(=S)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)cc1 3286844 AZAGSRPTHLVUMC-QHCPKHFHSA-N 415.002 6.131 0 40 HKAB O=C(COc1ccc(OCc2ccccc2)cc1)Nc1nc(-c2ccccc2)cs1 3343557 HFXLAQYKLWQYJH-UHFFFAOYSA-N 416.502 5.407 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)OCC(=O)c1c[nH]c2ccccc12 3438412 FXPHLESVHVPBRC-UHFFFAOYSA-N 408.306 5.134 0 40 HKAB CCc1cccc2c(C(=O)CSc3nnc(NC4CCCCC4)s3)c[nH]c12 3454946 PVSBMIFZTIYVPX-UHFFFAOYSA-N 400.573 5.301 0 40 HKAB O=C(NCCn1cc(SCc2ccc(Cl)cc2)c2ccccc21)c1ccccc1 4059792 XPYXFTQUNILEQV-UHFFFAOYSA-N 420.965 6.017 0 40 HKAB Cc1cccc(C)c1N1CC(=O)N(c2ccccc2)[C@@H](c2ccc(C(C)C)cc2)C1=O 4090889 IKRVSKOKJJXHDN-SANMLTNESA-N 412.533 5.548 0 40 HKAB biogenic O=C1CN=C(c2ccc(Cl)cc2)c2c(sc3c2CCCC3)N1Cc1ccccc1 4212647 MUKKKAZFMAZIDY-UHFFFAOYSA-N 420.965 5.665 0 40 HKAB COc1ccc(-c2nnc(S[C@H](C(=O)c3ccccc3)c3ccccc3)o2)cc1 4470055 BEPIRURCBIHSGZ-NRFANRHFSA-N 402.475 5.462 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(SC)cc2)N3)C1 4554586 QQEAZETWLICNIJ-IFXJQAMLSA-N 400.613 6.440 0 40 HKAB Cc1cccc(NC(=O)c2c(NC(=O)c3ccccc3C)sc3c2CCCCC3)c1 4568498 RELHJPPPFFCIQE-UHFFFAOYSA-N 418.562 6.138 0 40 HKAB Cc1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3)nc3ccccc23)cc1F 4614922 GXZQSEFUBWRUAX-UHFFFAOYSA-N 404.872 6.563 0 40 HKAB Brc1cccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCO3)c1 4735080 JIBPJTQLHHZUPZ-UHFFFAOYSA-N 408.255 5.236 0 40 HKAB CCc1cc2cc(C)ccc2nc1SCC(=O)Nc1ccccc1C(F)(F)F 4849332 FOBQCWFMKQWMEO-UHFFFAOYSA-N 404.457 5.855 0 40 HKAB O=C(CSc1nc(-c2ccc(F)cc2)[nH]c1-c1ccccc1)Nc1nccs1 4927745 BAJCFCFBQHTHIX-UHFFFAOYSA-N 410.499 5.070 0 40 HKAB Cc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1S(=O)(=O)c1ccccc1 4937734 GSNKWAQGVIGSNM-GYHWCHFESA-N 409.894 5.460 0 40 HKAB Cc1ccc(CC(=O)N(Cc2ccccn2)c2nc3c(F)cccc3s2)c(C)c1 5264474 JJKDVKTVUNDALR-UHFFFAOYSA-N 405.498 5.223 0 40 HKAB CC[C@H](C)CCCNc1nnc(SCC(=O)C23CC4CC(CC(C4)C2)C3)s1 5560181 YESGTWFJQSUNAU-HILYYZTDSA-N 407.649 5.654 0 40 HKAB CCCCCn1c(O)c(C(=O)Nc2cccc(Cl)c2Cl)c(=O)c2ccccc21 5736288 JZXMBXWSNCMPJE-UHFFFAOYSA-N 419.308 5.456 0 40 HKAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Sc1nc(-c3cccs3)cc(C(F)(F)F)n1)C2=O 6393305 COOAKWGUDOUYCP-TZOQJCELSA-N 412.502 5.710 0 40 HKAB N#C/C(=C/c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1)c1cccc2ccccc12 6496606 ZPCAZMRRUTXJSA-UYRXBGFRSA-N 409.397 5.560 0 40 HKAB O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 8156163 JRVXKEPNWZKFRC-NRFANRHFSA-N 421.468 5.153 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 8904080 DCUMPHIJPYJWAJ-UHFFFAOYSA-N 403.478 5.590 0 40 HKAB Cc1ccccc1OCC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235694 UTOJMOKTRATWTE-UHFFFAOYSA-N 400.931 5.043 0 40 HKAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(F)c(F)c1F 11370776 QQKFPPYRPQGSAL-UHFFFAOYSA-N 415.198 5.637 0 40 HKAB Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)cc1 12196042 ZSIMTYCGSOROSH-IFMALSPDSA-N 414.814 6.000 0 40 HKAB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3cc4ccccc4o3)n2)cc1 12441931 QMMMZSMSTPVZOG-UHFFFAOYSA-N 414.490 5.611 0 40 HKAB C[C@H](Oc1ccccc1F)c1nnc(SCc2cc(Cl)cc3c2OCOC3)o1 12681959 XPGGQDDWOIBIJZ-NSHDSACASA-N 422.865 5.161 0 40 HKAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccc(Cl)cc1Cl 13709800 WXXONCIDSJYINU-GFCCVEGCSA-N 418.773 5.464 0 40 HKAB O=c1[nH]c2ccc(F)cc2c(-c2ccc(Cl)cc2)c1Sc1ccc(Cl)cc1 13896380 IIMNVRMMNSZHOW-UHFFFAOYSA-N 416.304 6.792 0 40 HKAB COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCC(C)C)c1 13942487 KIORQUDAWHYCBB-MHZLTWQESA-N 424.544 6.435 0 40 HKAB O=C(c1csc(-c2ccc(F)cc2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 14228387 IFODMHRWWJITNA-IBGZPJMESA-N 424.497 5.088 0 40 HKAB COc1ccc(-n2c(SCC(=O)c3c[nH]c4ccccc34)nc3ccccc32)cc1 15910880 BHVGLOJSJBFFEM-UHFFFAOYSA-N 413.502 5.490 0 40 HKAB c1ccc([C@H]2CN(C(c3ccccc3)(c3ccccc3)c3ccccc3)CCN2)cc1 19371065 KAYYXDPIMIYMRS-MUUNZHRXSA-N 404.557 5.625 0 40 HKAB CCOc1ccc(Oc2ccccc2NC(=O)CCCNC(=O)c2cccs2)cc1 19629116 FYUMXFPEBVZYBE-UHFFFAOYSA-N 424.522 5.088 0 40 HKAB Cc1nc([C@@]2(O)CCCN(C3CCCC3)CC2)sc1COc1ccc(Cl)cc1 19705240 HOXMIPKXDUAOKL-JOCHJYFZSA-N 421.006 5.300 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)oc12 19887871 NOCYDOGMADPXCZ-MRXNPFEDSA-N 414.461 5.185 0 40 HKAB CCc1ccc(N2CN(C3CCCCC3)CN(c3ccc(CC)cc3)C2=S)cc1 19920977 NMPIAQBLSNYSIC-UHFFFAOYSA-N 407.627 5.973 0 40 HKAB COc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1NC(=O)c1cccs1 20096501 FUDRSUYCPCZWIQ-UHFFFAOYSA-N 420.534 5.460 0 40 HKAB Cc1ccccc1CNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 20239932 YAYDCFSWPVGCPE-UHFFFAOYSA-N 412.577 5.380 0 40 HKAB CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2cccc(C)c2C)CC1=O 21524522 YHOAXBLXUBXXHK-OAQYLSRUSA-N 419.569 5.238 0 40 HKAB O=C(CCc1nnc(-c2ccccc2)o1)N(Cc1cccs1)Cc1cccs1 24466492 UCOYKUJGJACYBU-UHFFFAOYSA-N 409.536 5.021 0 40 HKAB Cc1ccccc1[C@H](C)NCc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 25057712 GENUMHBKIZYDJY-AWEZNQCLSA-N 409.942 5.464 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1 27917255 SHRIMHLKNSIBDX-UHFFFAOYSA-N 416.974 5.477 0 40 HKAB CCN(CC)[C@@H](CNC(=O)COc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 28290574 JBQIQWFRCWDCQH-NRFANRHFSA-N 416.993 5.216 0 40 HKAB Cc1nc2cc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)ccc2o1 32879900 XMJTYTSRFMMKBC-UHFFFAOYSA-N 420.778 5.246 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)o2)cc1C 33660500 GTVQOCIEEJBWAY-UHFFFAOYSA-N 416.502 6.130 0 40 HKAB Cc1ccc(-c2csc3c(=O)n(CC(=O)Nc4cccc(Cl)c4C)cnc23)cc1 38651698 DPBCYTJOSDHRGR-UHFFFAOYSA-N 423.925 5.034 0 40 HKAB CSc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)c1cc(C)ccc1O2 38677963 HJSWQPLXOWDTSO-UHFFFAOYSA-N 404.491 5.352 0 40 HKAB Cc1ccc(Nc2nc(Nc3ccc(C)cc3)c3cnn(-c4ccccc4)c3n2)cc1 40227598 DYVGAZOBKNHXGJ-UHFFFAOYSA-N 406.493 5.920 0 40 HKAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(C)cc2)n2c(nc3ccccc32)N1 44859740 MCPSVIRGZKFQMG-HSZRJFAPSA-N 401.510 5.510 0 40 HKAB O=C1CSC2=N[C@@H]3/C(=C\c4ccc(F)cc4)CCC[C@H]3[C@@H](c3ccc(F)cc3)N12 51329842 AWAGYABBBLERKY-XNQXNLOKSA-N 410.489 5.203 0 40 HKAB Cc1cc(SCC(=O)Nc2ccccc2C(F)(F)F)nc(-c2cccc(F)c2)n1 67257283 JWVOCNFVCCOVRG-UHFFFAOYSA-N 421.419 5.341 0 40 HKAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)Nc2cccc(Cl)c2Cl)cc1 199419976 KUHMAMIFXUBWAD-CQSZACIVSA-N 407.341 6.110 0 40 HKAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccc(OCc2ccccc2)cc1 222582958 OHCUPCPGOCRBBA-UHFFFAOYSA-N 413.452 5.422 0 40 HKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223128769 KLFCUJFSEQQYCX-ZDUSSCGKSA-N 409.898 5.418 0 40 HKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1 224328404 BXFDONQDSCLSBS-RPWUZVMVSA-N 416.594 5.574 0 40 HKAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1cccc(C)c1 224388282 HXSBFXYKFIPBRU-UHFFFAOYSA-N 401.506 5.171 0 40 HKAB CCCCOCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC 224438240 JKZMLEDLSAYWEZ-UHFFFAOYSA-N 415.839 5.936 0 40 HKAB S=C(NCCSCc1ccc(Cl)cc1)Nc1ccc(OC2CCCC2)cc1 225303988 AUGKYKJNCIGHIV-UHFFFAOYSA-N 421.031 5.881 0 40 HKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225623622 ZAAPZTMICVYQET-XMMPIXPASA-N 404.595 5.255 0 40 HKAB O=C(c1ccccc1C(F)(F)F)N1CCS[C@@H](c2cc(F)ccc2F)CC1 225743165 OXYDOWAOCJSVDV-QGZVFWFLSA-N 401.400 5.304 0 40 HKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)C(C)C)c(C)c1 225766165 YZOGWZCYBQYRTQ-QHCPKHFHSA-N 409.599 5.422 0 40 HKAB CCCCN(CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@@H](C)C3=C[C@H]21 248330073 FGNDTNHMDIFKKW-JABRLBJMSA-N 418.666 5.183 0 40 HKAB O=C(c1ccccc1-c1ccccc1)N1CCOC[C@@H](Cc2cccc3ccncc23)C1 257248426 JDQWRBLLFFPYSU-NRFANRHFSA-N 422.528 5.233 0 40 HKAB S=C(NCc1ccc(Cl)cc1)c1ccccc1OCc1ccccc1Cl 408573701 JXNMCSDJRQKYRE-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB O=C(Nc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 408696238 YKOFJSHJVYKUJL-UHFFFAOYSA-N 410.811 5.118 0 40 HKAB Cc1cccc(-n2cccc2/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c1 409136629 SEZCLDBXDGOYNH-OQKWZONESA-N 402.519 5.455 0 40 HKAB COc1ccc([C@@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)Nc2ccccc2)cc1 720883 NOEUDAKVVNDGJH-QHCPKHFHSA-N 410.477 5.081 0 40 HKAB CCOC(=O)Oc1ccc2c(=O)c(-c3ccccc3OC)c(C(F)(F)F)oc2c1 946481 BJIMYQXGAFBRNP-UHFFFAOYSA-N 408.328 5.023 0 40 HKAB Cc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)c3ccccc3n2)cc1 998718 YEKCXDXWPWNNKH-UHFFFAOYSA-N 407.517 5.173 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccnc2)N2CCCCC2)c1C 1298395 BMEILHJASUCBME-JOCHJYFZSA-N 405.567 5.588 0 40 HKAB CCCCOC(=O)c1cc(C)nc2c(Br)cc(Br)cc12 2058757 GPOCEVKAICMHBN-UHFFFAOYSA-N 401.098 5.025 0 40 HKAB Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccc(C)c(C)c3)c2c1 2079782 RQZRCYVAEDNJJY-UHFFFAOYSA-N 414.936 7.041 0 40 HKAB C=Cc1ccc(COc2ccc3c(=O)c(Oc4cccc(OC)c4)c(C)oc3c2)cc1 2158194 NVJNRSKODVEITK-UHFFFAOYSA-N 414.457 6.124 0 40 HKAB biogenic CC(C)(C)c1ccc(-c2nc3c(Br)c(N)c(Br)cc3o2)cc1 2214766 HUJRVIMDOSRHGN-UHFFFAOYSA-N 424.136 5.900 0 40 HKAB CCCc1nc2sc3c(NCc4cccnc4)nc(SC)nc3c2c2c1CCC2 2405162 UTQMDGJCXDARGG-UHFFFAOYSA-N 421.595 5.410 0 40 HKAB CCCCc1ccc(-n2c(N)c(C(=O)O[C@@H](C)CC)c3nc4ccccc4nc32)cc1 2407071 GQNCVQSULIMYJW-INIZCTEOSA-N 416.525 5.454 0 40 HKAB COc1ccc(Oc2c(C)oc3cc(OCc4ccccc4Cl)ccc3c2=O)cc1 2414910 FAZYHXCQSIHKME-UHFFFAOYSA-N 422.864 6.135 0 40 HKAB biogenic Cc1ccccc1-c1cc(C(F)(F)F)c2c(C)nn(-c3ccc(F)cc3F)c2n1 2659461 XPUYYABXDAKCCE-UHFFFAOYSA-N 403.354 6.001 0 40 HKAB CCC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3ccccc3)c2C1 3319751 QCDLJBBSEUJAAW-IBGZPJMESA-N 415.533 5.816 0 40 HKAB CN1CCCC[C@H]1CCSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 3340021 MUYSSYKBEFBWBP-IBGZPJMESA-N 412.990 5.554 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccc1Cc1ccccc1 3497225 XRODTRWINCOEMI-UHFFFAOYSA-N 401.491 5.058 0 40 HKAB CC(C)(C)n1nc2c(c1NC(=O)C1(c3ccc(Cl)cc3)CCCC1)CSC2 4088678 YCVCWGDFLVRLKV-UHFFFAOYSA-N 403.979 5.489 0 40 HKAB CCN(CC)c1ccc2cc(-c3nnc(Nc4ccccc4C)s3)c(=O)oc2c1 4551135 PCAZUWKHOJXTPI-UHFFFAOYSA-N 406.511 5.210 0 40 HKAB CCOc1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@@H]2c2ccccc2F)cc1 4623277 MWGJWGHORZGZAA-DEOSSOPVSA-N 413.452 5.364 0 40 HKAB O=C(Nc1ccc(F)cc1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 4903541 OJSKFNDYVRGAOT-UHFFFAOYSA-N 411.263 6.600 0 40 HKAB O=C(c1ccc2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2c1)N1CCCCC1 5042469 GSFVFJCDINVUIO-UHFFFAOYSA-N 423.582 5.077 0 40 HKAB Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1C 6063706 HMJIKOAARZEUEA-UHFFFAOYSA-N 410.473 5.314 0 40 HKAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccccc4Cl)c3)nc2c1 6302130 NSBXIWIEXMIRSE-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 6339288 HRASWNDMTIRAAW-UHFFFAOYSA-N 405.541 6.438 0 40 HKAB CCc1cc2c(SCC(=O)c3cc(C)n(-c4nccs4)c3C)ncnc2s1 6607557 RJPUURXKFBSHSH-UHFFFAOYSA-N 414.581 5.093 0 40 HKAB CCOc1ccc(Oc2ccccc2NC(=O)c2ccc(Br)o2)cc1 6790798 XWNLHBNSFCNXIM-UHFFFAOYSA-N 402.244 5.485 0 40 HKAB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c2C)cc1C 6966743 TWRMPNWPCQEDKF-OVVQPSECSA-N 418.540 6.930 0 40 HKAB O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc2nsnc2c1 7343502 XSEKFOKLSBJPKE-UHFFFAOYSA-N 405.870 5.140 0 40 HKAB CCOC(=O)c1ccc(-c2ccc(CNC34CC5C[C@](C)(C3)C[C@@](C)(C5)C4)o2)cc1 7519717 FFLKSFCBEUDCRR-WNPZUFKQSA-N 407.554 5.962 0 40 HKAB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 8022540 XTMXJOIOGUCLQU-QHCPKHFHSA-N 421.537 5.203 0 40 HKAB COc1ccccc1-c1nnc(S[C@H](C(=O)c2ccccc2)c2ccccc2)o1 8314182 BYFVRPQZQDYSRY-NRFANRHFSA-N 402.475 5.462 0 40 HKAB Cc1ccc(-c2csc(-c3c(N)c(C(=O)c4ccccc4)n4ccccc34)n2)cc1 8844894 DTWZXFKPWNUFRX-UHFFFAOYSA-N 409.514 5.851 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)N(CCC)C(=O)C(C)(C)CO3)cc1 8959643 HYGCJXUKRRNVGR-UHFFFAOYSA-N 424.541 5.279 0 40 HKAB CN(C(=O)C[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 9053502 UILRNQWJILQPJY-NHCUHLMSSA-N 403.925 5.417 0 40 HKAB Cc1ccc(-c2cc(OC(=O)[C@H](C)Oc3ccc(F)cc3)cc3sc(=O)oc23)cc1 9408854 UGJPVLKITKGAGR-AWEZNQCLSA-N 424.449 5.342 0 40 HKAB Cc1ccc(NC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)N1C[C@@H](C)C[C@H](C)C1 9960296 HJHLKHVJUPOYPS-MHORFTMASA-N 400.567 5.015 0 40 HKAB O=c1cc(-c2ccccc2)c2cc3c(-c4ccc(Br)cc4)coc3cc2o1 11691932 QHMPEMRCXPOPHN-UHFFFAOYSA-N 417.258 6.636 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccc(OC)cc1)N1N=C(c3ccc(C)o3)C[C@@H]21 12196240 WCNKEJMSOOHATO-GBXCKJPGSA-N 404.466 5.238 0 40 HKAB CC(C)(C)c1ccc(OCc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 12378327 ZHOGVBYMPOHIFC-UHFFFAOYSA-N 404.941 6.615 0 40 HKAB COc1c(C)cccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 12651105 HBDPXQIWJJKHDT-UHFFFAOYSA-N 408.910 6.186 0 40 HKAB C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 12787912 GFKHAHCAERNPEA-VIFPVBQESA-N 416.877 6.088 0 40 HKAB CN1C(=O)CS[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 13115496 QTZUYHXXTMDXQW-VWLOTQADSA-N 411.530 5.410 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 13135832 MKYIUZUTYXHLJB-HNNXBMFYSA-N 405.464 5.469 0 40 HKAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)Nc1ccccc1C(F)(F)F 13331253 XFCKNMVWRXKJBG-UHFFFAOYSA-N 406.383 5.350 0 40 HKAB Cc1cc(NC(=O)c2ccc3c(c2)OCCO3)cc(-c2nc3ccccc3s2)c1O 13519424 TYQUVBHEIMIUML-UHFFFAOYSA-N 418.474 5.001 0 40 HKAB Cc1nc2cc(C(=O)O[C@@H](C)C(=O)c3ccc(F)c(F)c3)ccc2n1-c1ccccc1 14092790 CCTCCHSWYFDTHR-AWEZNQCLSA-N 420.415 5.040 0 40 HKAB COc1ccc(-c2csc(NC(=O)Cc3coc4cc(C)ccc34)n2)cc1Cl 14633814 CUMLYLUOYUAZIZ-UHFFFAOYSA-N 412.898 5.708 0 40 HKAB Cc1cccc(Oc2ccccc2NC(=O)CCCn2c(=O)oc3ccccc32)c1 15985131 XRAMNGNOZJGYGM-UHFFFAOYSA-N 402.450 5.114 0 40 HKAB Cc1ccc(NC(=O)NC[C@@H]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1 16293083 ITFQPGCPEKCPMO-WOJBJXKFSA-N 408.546 5.053 0 40 HKAB Fc1ccccc1COc1ccc(Br)cc1CNCc1cccs1 16450027 FFAWTRVKRSLLIF-UHFFFAOYSA-N 406.320 5.519 0 40 HKAB Clc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccccc2)cc1 16788863 MILQEQLLVOUQTR-UHFFFAOYSA-N 417.925 5.756 0 40 HKAB COc1ccc([C@@H]2C=C(c3ccc(-c4ccccc4)cc3)N=C3NN=NN32)cc1OC 16976440 KYIWFZIYQJOYCN-NRFANRHFSA-N 411.465 5.010 0 40 HKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)NC1CCCC1 17088186 ZFXNQXDSXLIPJY-SOFGYWHQSA-N 409.338 5.200 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 17090816 IEMOFHXUEATBJA-KRWDZBQOSA-N 416.546 6.494 0 40 HKAB O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1ccc(-c2ccccc2)cc1 17091397 YDVJZMMZFZLQAI-UHFFFAOYSA-N 418.452 5.407 0 40 HKAB Cc1cc(-c2ccsc2)nc(C2CCN(C(=O)Cc3cccc(Cl)c3)CC2)n1 19118533 WVPGFRJISIXPPI-UHFFFAOYSA-N 411.958 5.116 0 40 HKAB CCc1ccc(Cc2cnc(NC(=O)C3=Cc4cc(OC)ccc4OC=C3)s2)cc1 19809995 ZJLSFMAXBFPNAX-UHFFFAOYSA-N 418.518 5.233 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 20040643 IUSNVGFGQWGDOZ-LICLKQGHSA-N 413.517 5.876 0 40 HKAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20108713 JMIVBLJQHNROAD-INIZCTEOSA-N 407.897 5.539 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1ccc(CN2CCc3ccccc32)cc1 20456808 LVUYQNXURPXMRY-UHFFFAOYSA-N 407.311 5.264 0 40 HKAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccccc1SCc1ccsc1 22463731 RRBKMLQEXBLLAY-QFIPXVFZSA-N 422.619 5.607 0 40 HKAB COc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1OC 22514309 JGPOAUHTRQNNFM-CVEARBPZSA-N 401.572 5.359 0 40 HKAB O=C(CSc1nc2ccccc2s1)N1CCc2sccc2[C@H]1c1ccccc1 25897481 UXVRTDBARVRNCO-OAQYLSRUSA-N 422.600 5.624 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2oc3ccc(F)cc3c2C)N2CCCCCC2)cc1 27581909 GSWJYYXOSOTTKA-JOCHJYFZSA-N 408.517 5.536 0 40 HKAB Cc1cc(OCC(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc(C)c1Cl 27662521 HHYOPSDDNXRNIR-IBGZPJMESA-N 421.006 5.131 0 40 HKAB O=C(c1sc2ccccc2c1Cl)N(Cc1ccco1)c1ccc(Cl)cc1 27795274 HEMZBAVPUXGWJT-UHFFFAOYSA-N 402.302 6.648 0 40 HKAB O=C1[C@@H](c2ccccc2)[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H]1c1ccccc1 33926918 CRLQJTSACHTAGF-JUDWXZBOSA-N 403.525 6.209 0 40 HKAB Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3cc(C)cc(C)c3)n2)cc1 46012189 LUFSETJTRPTGQR-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078455 UVOSBPUILOSXHH-UHFFFAOYSA-N 424.422 5.551 0 40 HKAB COc1ccc(-c2csc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)cc1 57335534 UDIWVIJBDIKYDQ-UHFFFAOYSA-N 402.903 5.268 0 40 HKAB CCn1c(-c2ccc(Cl)cc2)nn(CN2CCc3sccc3[C@H]2C)c1=S 57449881 FTSMLRMLVUHMPA-CYBMUJFWSA-N 404.992 5.393 0 40 HKAB C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(Cl)cc1Cl 58310686 FPGGXYCDRJBOMK-LBPRGKRZSA-N 418.280 5.721 0 40 HKAB Cn1c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c(Cl)c2ccccc21 65854921 DWJIFXUYYZWWHB-CQSZACIVSA-N 419.308 5.295 0 40 HKAB CCCOP(=O)(OCCC)c1nc(Cc2cccc3ccccc23)oc1NC 80345678 RQGRMSLLMYLVNY-UHFFFAOYSA-N 402.431 5.132 0 40 HKAB Cc1occc1-c1nn(CN(C)C(c2ccccc2)c2ccccc2)c(=S)n1C 95947969 KVJQKUVITJUBBH-UHFFFAOYSA-N 404.539 5.198 0 40 HKAB CC(C)Sc1nnc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)s1 222867595 HJNDPQRJQRUWRL-UHFFFAOYSA-N 408.401 5.217 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 223017710 HZAHBDZMQNKRPF-OAQYLSRUSA-N 421.368 5.116 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1Cl 224960630 VFLIAFSBCUWHIE-UHFFFAOYSA-N 423.299 6.876 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1 225581650 MIPNONMBOGKWLA-HNNXBMFYSA-N 422.352 5.858 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)CC(C)(C)O2 225682860 YIXUBQIQBNUZMO-INIZCTEOSA-N 410.461 5.303 0 40 HKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(OC(C)C)cc2)c2ccccc2)c(C)c1 225769065 KDCYFFUQAIVTCG-DEOSSOPVSA-N 404.579 6.167 0 40 HKAB Cc1cccc(C2(NC(=S)Nc3ccc(C(=O)N4CCCCC4)cc3)CCCC2)c1 225870826 AJXOSTVDEMUEEV-UHFFFAOYSA-N 421.610 5.377 0 40 HKAB O=C(c1ccc2ccccc2n1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257204661 AVUHOOFEKHCNLY-QHCPKHFHSA-N 415.468 5.320 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)c1 408624494 XGRANWHMXAKKJZ-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB CCc1cccc(CC)c1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408678658 ULGCESSWFWFFNY-UHFFFAOYSA-N 414.480 5.692 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2cc(C)ccc2C)cc1 408697975 KNVYIQKBIBMLER-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB COc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(C)cc2)n1 408698814 PUIDQEQNBQTTKO-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB O=C(CSCc1cccc(Cl)c1)Nc1ccc(CSc2ccccc2)cc1 408920988 QKGPSUJPYZRWCW-UHFFFAOYSA-N 413.995 6.504 0 40 HKAB Cc1ccc(CSCC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 408924252 FEWVMXCSSFZTNM-UHFFFAOYSA-N 407.604 6.468 0 40 HKAB Cc1ccc(CSc2nnc(CCCOc3ccc(Cl)cc3Cl)o2)cc1 409014542 MUTRDZWIWRCRPM-UHFFFAOYSA-N 409.338 5.989 0 40 HKAB Cc1cccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c1 409110064 QOWGDEOIBPXMLZ-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB O=C(COc1ccc(Br)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 723681 HTEMMAOBOKNNJU-UHFFFAOYSA-N 408.601 5.139 0 40 HKAB CCOC(=O)C1=C(C)N(c2ccccc2C)C(C)=C(C(=O)OCC)C1c1ccccc1 728244 LXNLCXOWPLJUFO-UHFFFAOYSA-N 419.521 5.273 0 40 HKAB O=S(=O)(c1ccc2cccc3c2c1CC3)N1CCS[C@@H]1c1ccc(Cl)cc1 855102 QFSWTJVSRGJVTJ-OAQYLSRUSA-N 415.967 5.028 0 40 HKAB O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1ccc(Cl)cc1 883798 OWDVSIXNYQOBSE-UHFFFAOYSA-N 423.847 5.547 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1C 997058 UDBBBQBVULNVCX-UHFFFAOYSA-N 408.885 5.227 0 40 HKAB O[C@H](Cn1c(-c2ccccc2)cc2ccccc21)Cn1c2ccccc2c2ccccc21 1086443 ZFPPRDRAEPPREO-HSZRJFAPSA-N 416.524 6.477 0 40 HKAB COc1ccc(NC(=S)NCC[C@@H]2[C@@H](c3c(C)[nH]c4ccccc34)C2(C)C)cc1 1404508 ZZDCOZXHCBYOND-KNQAVFIVSA-N 407.583 5.601 0 40 HKAB Cc1nc(SCC(=O)Nc2ccccc2)c2sc(=S)n(-c3ccccc3)c2n1 1638187 IGQGBPZIWJFXMC-UHFFFAOYSA-N 424.576 5.251 0 40 HKAB Cc1cc(Cl)ccc1OC(=O)COc1ccc(Br)cc1C(C)(C)C 1779862 JZFPKGGAVOKESL-UHFFFAOYSA-N 411.723 5.693 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1 2062604 DZIUSTSGCNAKNC-UHFFFAOYSA-N 413.473 5.891 0 40 HKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2ccc(C)c(F)c2)C4)cc1 2117667 IVNHBJGZUQOJIS-UHFFFAOYSA-N 417.436 5.273 0 40 HKAB biogenic COC(=O)C1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccc(Cl)cc1Cl 2300593 DLFCPTOUKFXPSL-KRWDZBQOSA-N 400.261 5.014 0 40 HKAB COc1ccc(-c2nnc(SCCCC(=O)c3ccc(F)cc3)n2C(C)C)cc1 2622502 MHHPCRDRWYUTHY-UHFFFAOYSA-N 413.518 5.429 0 40 HKAB CC(C)c1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1 3015163 RWAJDYXCGNKADC-GIJQJNRQSA-N 421.349 6.223 0 40 HKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccccc3C(F)(F)F)cc12 3181512 VIJROEIZNXRRSD-UHFFFAOYSA-N 401.413 5.667 0 40 HKAB Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1 3189640 ROHLEPAAHCAKJO-LOSJGSFVSA-N 406.489 5.108 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cc2ccccc2oc1=O 3242153 ULNSCPQAPKNRKU-UHFFFAOYSA-N 416.399 5.054 0 40 HKAB CCC(C)(C)C1CCC2(CC1)NC[C@H](c1ccccc1Cl)c1c2[nH]c2ccccc12 3289855 XRISYWSZCMHWOD-VSGCJZCHSA-N 421.028 7.378 0 40 HKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1Br 3292307 MCJDXDZZSGKOHC-UHFFFAOYSA-N 409.308 5.978 0 40 HKAB O=C(Cc1sc(Nc2ccccc2)nc1-c1ccccc1)Nc1ccc(Cl)cc1 3449305 VXAOXWOJYBAPMB-UHFFFAOYSA-N 419.937 6.388 0 40 HKAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 3655534 DXYOHJQNVOMAPV-HNNXBMFYSA-N 419.864 5.723 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)cc1 3655599 AOIBBVKLQUXWEA-UHFFFAOYSA-N 413.473 5.805 0 40 HKAB CCOC(=O)c1cc(-c2cccc3ccccc23)nc2ccc(Br)cc12 4662044 OKHMUNKRUZHGBC-UHFFFAOYSA-N 406.279 5.994 0 40 HKAB Cc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)c(C)c1 4699726 JLHNUVMDAOBJPE-UHFFFAOYSA-N 420.896 6.091 0 40 HKAB CCCOP(=O)(OCCC)OCCCCOP(=O)(OCCC)OCCC 4705687 HPLRXPXKBJOALV-UHFFFAOYSA-N 418.404 5.722 0 40 HKAB COc1ccc([C@H]2c3c(n[nH]c3-c3ccc(C)cc3)C(=O)N2c2ccc(F)cc2)cc1 5343198 ITHGACMVCHWOCJ-DEOSSOPVSA-N 413.452 5.283 0 40 HKAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)c1nnc(-c2cccs2)o1 5456755 IHEWBTWUAHCPAX-CYBMUJFWSA-N 405.479 5.143 0 40 HKAB O=[S@@](Cc1ccc(Cl)cc1)c1snnc1-c1ccc(Cl)cc1Cl 5674115 LWCULHLYRLELFK-HSZRJFAPSA-N 403.743 5.473 0 40 HKAB Brc1ccc(SCc2cccc(-c3nc4ccccc4s3)c2)cc1 5949219 XSPTXERCDIGNSK-UHFFFAOYSA-N 412.377 7.018 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1 5950107 XTGNOZFHLYDOHO-UHFFFAOYSA-N 417.559 5.653 0 40 HKAB Cc1ccc2oc(-c3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3)nc2c1 6034436 KXEDGUBEUUIHQL-UHFFFAOYSA-N 408.910 6.187 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3ccccc3OC)sc2-c2ccccc2)cc1 6582256 DZJFHFMOAMKEKZ-UHFFFAOYSA-N 416.502 5.747 0 40 HKAB CCOc1ccc2nc(SCc3nnc(-c4ccc(Cl)cc4)o3)sc2c1 6602521 ILJDXMFBVWHJSL-UHFFFAOYSA-N 403.916 5.691 0 40 HKAB Cc1ccccc1Cn1ccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1 6789710 OSADYTJALXESLT-UHFFFAOYSA-N 419.488 5.102 0 40 HKAB CC(=O)c1ccc(OCCCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 6839688 KQSSXRFNOAOCNA-UHFFFAOYSA-N 416.449 5.089 0 40 HKAB CCOc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)cc1Cl 6870259 AQIJDYMAHXLOBW-UHFFFAOYSA-N 417.336 5.656 0 40 HKAB Cc1ccc(NC(=O)Cc2nc(CN3CCCSc4ccccc43)cs2)cc1 7906490 IQRGPZLQNPQHDG-UHFFFAOYSA-N 409.580 5.135 0 40 HKAB Cc1c(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)sc2ccccc12 8252075 CKCWKNHPBSLINR-UHFFFAOYSA-N 411.577 5.840 0 40 HKAB Cc1cc(-c2csc(-c3ccc(NC(=O)c4ccco4)cc3)n2)c(C)n1C1CC1 8298644 JMOPZXWLBQLDCR-UHFFFAOYSA-N 403.507 6.076 0 40 HKAB Cc1[nH]c2ccccc2c1C(c1ccc(Br)o1)c1c(C)[nH]c2ccccc12 8854679 KZJNKMPWGCMGIV-UHFFFAOYSA-N 419.322 6.802 0 40 HKAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 9513839 HMVYUNMMXOYRGV-GFCCVEGCSA-N 412.477 5.551 0 40 HKAB Cc1cc(SCc2nc3ccccc3[nH]2)nc(SCc2nc3ccccc3[nH]2)n1 12139020 NXAKNQYVPQGDFV-UHFFFAOYSA-N 418.551 5.122 0 40 HKAB COc1cccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccccc3Cl)n2)c1 12442100 TUCZOXRLOAAEML-UHFFFAOYSA-N 424.913 5.219 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12891687 YFGRDVNQYSOKLV-LJVXEDPOSA-N 408.586 5.346 0 40 HKAB O=C(CSc1ccc(Cl)c(C(F)(F)F)c1)Nc1nnc(-c2ccccc2)o1 13112523 NODHPYLQHJNGKZ-UHFFFAOYSA-N 413.808 5.140 0 40 HKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(C)cc1 13362247 NKJSFYUABDYLFH-UHFFFAOYSA-N 400.478 6.188 0 40 HKAB O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(-c2ccccc2)cc1 13634911 SNDJPAZNOWSGEK-UHFFFAOYSA-N 424.887 7.068 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3cccc4ccccc34)ccc21 13709510 BBAUVAKRMVUZGL-GOSISDBHSA-N 408.501 6.374 0 40 HKAB CCSc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 13847233 QZTPWQLYOIGVQU-KRWDZBQOSA-N 404.535 5.542 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 15881175 YERAWWIPJXNERT-UHFFFAOYSA-N 421.924 6.193 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1cccc(F)c1 17092737 FPWNIBZKAXJKIR-UHFFFAOYSA-N 421.522 5.538 0 40 HKAB COC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2c1 20412368 MATHQWJBPRWEKL-UHFFFAOYSA-N 412.854 5.249 0 40 HKAB Cc1nc(CSCCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cs1 30113740 GKWHIEWGLXHZSP-HNNXBMFYSA-N 417.625 5.091 0 40 HKAB Cc1c(-c2ccc(Cl)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1cccc(Cl)c1 32104611 LPFQIPUNKPBYKF-INIZCTEOSA-N 415.280 5.337 0 40 HKAB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1 35042886 FKGVCAFFGVWGMQ-WQRHYEAKSA-N 424.865 5.381 0 40 HKAB Cc1ccc(Nc2c(-c3ccccc3O)nc3cccc(C)n23)c(Br)c1 35616571 ARTCXGXJNHRRHF-UHFFFAOYSA-N 408.299 5.830 0 40 HKAB CC[C@@H](CO)NCc1cc(OC)c(OCc2ccc(Cl)cc2Cl)cc1Cl 36612288 QWLHIGLOFCMZQQ-HNNXBMFYSA-N 418.748 5.095 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1ccc([N+](=O)[O-])cc1)C2=O 36621754 KPMMIZLQECJQJE-XCSJNUKPSA-N 407.554 6.590 0 40 HKAB biogenic Cc1ccc(OCCOc2cccc(/C=C3\N=C(c4ccccc4)OC3=O)c2)c(C)c1 41082773 WXZGIGYJWYSJTO-QJOMJCCJSA-N 413.473 5.106 0 40 HKAB CCC[C@@H]1CCCN(C(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)CC1 58418776 RHNLHIRCLFYCEZ-LJQANCHMSA-N 403.526 5.754 0 40 HKAB CCOc1ccccc1C(=O)Nc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1 64580030 WABUSIUCAYFQQR-UHFFFAOYSA-N 415.449 5.063 0 40 HKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72215113 HEWKWNZSIJEDGZ-SJLPKXTDSA-N 419.566 5.694 0 40 HKAB COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@@H](c2nc(C(C)C)cs2)C1 72297249 USAUIIWSTYMGEV-RBUKOAKNSA-N 412.599 5.491 0 40 HKAB COc1ccc(C(C)=O)cc1CC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 78732999 HCTXIVATOSVGHO-HXUWFJFHSA-N 419.443 5.213 0 40 HKAB Cc1cc2oc(=O)cc(-c3cc4c(CNCc5ccccc5)cnc(C)c4o3)c2cc1C 95480528 ZLFRCBNGYXEZBS-UHFFFAOYSA-N 424.500 5.816 0 40 HKAB c1ccc(COc2cccc(-c3nn4c(-c5cc6ccccc6o5)nnc4s3)c2)cc1 96193826 JBHRWXPMVOKYGC-UHFFFAOYSA-N 424.485 5.845 0 40 HKAB C[C@@H]1CC2=NC(Nc3nc4ccccc4s3)=N[C@H](c3cc(F)cc(F)c3)C2=C(O)C1 102675771 RLSVXQWELKLIDB-BIBXISHDSA-N 424.476 5.780 0 40 HKAB O=C1[C@H]2C=CC=C[C@H]2N=C(SCc2cccc3ccccc23)N1Cc1ccccc1 103672134 IAWGRQUAYAPHRS-BJKOFHAPSA-N 410.542 5.582 0 40 HKAB O=C1S/C(=C\c2cccc(OCc3ccccc3)c2)C(=O)N1c1ccc(Cl)cc1 108946708 FWDTZMCOXRKDDI-STZFKDTASA-N 421.905 6.160 0 40 HKAB C[C@H]1CCCCN1Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 141584007 KZJJYUHPPMHCQR-INIZCTEOSA-N 409.917 5.622 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSc1ccc(Cl)cc1 224070202 MPUWWMCAODDOFR-OAQYLSRUSA-N 403.975 5.285 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccc(C)c(C)c1 224081056 NDMKRLFYOQHJJM-NRPPHEFGSA-N 418.562 5.403 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc(OC)c(C)c1 224278640 KLPLQABDOKNKGF-CAZPATRMSA-N 419.952 6.465 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccc2ccccc2c1 224313607 JDCYPEBWBRHWJJ-UHFFFAOYSA-N 419.427 5.958 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)c(I)c1 225023099 BERWHSZAFJSNDX-UHFFFAOYSA-N 406.050 5.159 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225177184 SIQZINIPVSFZDB-GOSISDBHSA-N 418.946 5.402 0 40 HKAB COc1ccccc1CCCN1CCC(c2cccc(Nc3ccccn3)n2)CC1 257236987 HESIBJPYLNGVLW-UHFFFAOYSA-N 402.542 5.041 0 40 HKAB CCCCn1nc(-c2cc(CC(=O)O)ccc2OCCC)cc1-c1ccccc1OC 257285564 PHTVZJBIVJAWLH-UHFFFAOYSA-N 422.525 5.442 0 40 HKAB Cc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408573761 KIXKYFOACWBDHT-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB S=C(c1ccc(OCc2ccccc2Cl)c(Br)c1)N1CCCCC1 408574677 MGINQLKMEJOCIU-UHFFFAOYSA-N 424.791 5.843 0 40 HKAB S=C(NCc1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408577263 SDLZPRBMLHGWCO-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1 408694576 KLQUPXBKGZLBRC-UHFFFAOYSA-N 418.884 5.239 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(C)cc2)cc1 408699067 UKDZHVFGJMNMJP-UHFFFAOYSA-N 416.456 5.033 0 40 HKAB Cc1ccccc1-n1nc(C(=O)NC2CCCCC2)cc1-c1ccc2ccccc2c1 408727208 VDRFNKMOAJHOOY-UHFFFAOYSA-N 409.533 6.063 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)/C(=C/c1ccccc1Cl)c1ccccc1 408923987 IVXKFXHHWQFFFY-CPNJWEJPSA-N 401.815 6.538 0 40 HKAB Cc1ccc(CN2C(=O)S/C(=C\c3cccn3-c3ccc(C)c(Cl)c3)C2=O)cc1 409010532 FKEHEWHGSXEERC-BKUYFWCQSA-N 422.937 5.984 0 40 HKAB Cc1ccc(CSCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 409024878 INFMEHRVPSNKGX-UHFFFAOYSA-N 414.423 5.585 0 40 HKAB CC(C)Cc1ccc(C[C@]2(C)CCc3ccc(-c4cccc(C(=O)O)c4)cc3O2)cc1 585265954 ZJIBWESHCABOAE-NDEPHWFRSA-N 414.545 6.577 0 40 HKAB O=C(CSc1nc(-c2ccccc2)nc2ccccc12)Nc1ccc(Cl)cc1 888320 MSWWAUNYQCKHQT-UHFFFAOYSA-N 405.910 5.681 0 40 HKAB CCC(=O)NC(=S)Nc1cc(-c2nc3cc([C@H](C)CC)ccc3o2)ccc1Cl 1265954 XPMSCULGGBCYSR-GFCCVEGCSA-N 415.946 5.885 0 40 HKAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(C)cc3)C3CCCC3)cc2c1 1360948 FIJIWZCYKSNSDH-UHFFFAOYSA-N 419.525 5.212 0 40 HKAB O=C(c1ccc(Cl)cc1Cl)n1cc(-c2ncc(C(F)(F)F)cc2Cl)cn1 1393134 WRIILEWFPNJJDV-UHFFFAOYSA-N 420.605 5.613 0 40 HKAB Clc1cc2nc(SCc3ccccc3Br)oc2c2ncccc12 1426151 QAUPDWMRPQWFFU-UHFFFAOYSA-N 405.704 6.084 0 40 HKAB O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)c1ccc(F)cc1 1893512 OZLDBAVAPFTSOY-UHFFFAOYSA-N 408.812 5.514 0 40 HKAB Cc1cc(C)c(C)c(Oc2coc3cc(OCc4ccc(F)cc4)ccc3c2=O)c1 1915412 BVZRCVWYSUBTRU-UHFFFAOYSA-N 404.437 6.229 0 40 HKAB Cc1cc(OCC(=O)c2c(C)n(C)c3ccccc23)c2c3c(c(=O)oc2c1)CCCC3 2147262 WKJSEKKLCQGETN-UHFFFAOYSA-N 415.489 5.042 0 40 HKAB biogenic Cc1ccc(C(=O)c2oc3ccc(C(C)C)cc3c2-c2cnn(-c3ccccc3)c2)cc1 2150440 GVCJCXNPHCXFEG-UHFFFAOYSA-N 420.512 6.948 0 40 HKAB CCOC(=O)c1nnc(-c2ccc(C)cc2)nc1Sc1cccc(C(F)(F)F)c1 3049310 BURZIGGIKHQXSZ-UHFFFAOYSA-N 419.428 5.194 0 40 HKAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccc(Cl)cc1F 3225750 FMPFSNPEORIZGR-UHFFFAOYSA-N 424.815 5.083 0 40 HKAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccccc1CCc1ccccc1 3344941 DWILNZGPTDYUAX-UHFFFAOYSA-N 414.549 5.271 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1ccc(OCc2ccccc2)cc1 3435949 OYOMJJRWGVUSPW-MRXNPFEDSA-N 410.901 5.367 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 3655478 AECJWWCYDNXNAV-INIZCTEOSA-N 417.436 5.517 0 40 HKAB O=C(NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccccc1Cl 3768041 RLOXJDYXXICNKK-UHFFFAOYSA-N 408.335 5.244 0 40 HKAB COC(=O)C[C@@H](NC(=O)Nc1ccc(Cl)cc1Cl)c1ccc(C(C)C)cc1 4072839 YSDBBLSKVHQPRP-GOSISDBHSA-N 409.313 5.543 0 40 HKAB O=C(/C=C/c1ccccc1Cl)N(Cc1ccccn1)c1nc2ccccc2s1 4304749 CBEDBBHWEOTZGR-OUKQBFOZSA-N 405.910 5.591 0 40 HKAB Cc1cccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)n1 4458450 OVWZCAZZDCCRHG-UHFFFAOYSA-N 407.524 5.274 0 40 HKAB Cc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 4614906 KVHBDHMWECZWOI-UHFFFAOYSA-N 400.478 5.944 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NC(=O)[C@H](C)Oc3ccccc3)c2)c1 4660018 PQMBACLFBUDEAC-KRWDZBQOSA-N 422.912 5.615 0 40 HKAB Clc1ccccc1COc1cccc2ccc(/C=C/c3ccc4c(c3)OCO4)nc12 4660138 CFFFBRIGKSGORY-DHZHZOJOSA-N 415.876 6.366 0 40 HKAB Cn1c(-c2cccc(Br)c2)cnc1NCc1c(Cl)cccc1Cl 4679286 CNHRPVJDFHGRNU-UHFFFAOYSA-N 411.130 5.769 0 40 HKAB Oc1cc(OCc2ccccc2F)ccc1-c1ncncc1-c1ccc(Cl)cc1 5451044 NKRPOWJSPFIQPH-UHFFFAOYSA-N 406.844 5.888 0 40 HKAB biogenic Cc1ccc(N2C(=O)C[C@]2(C(=O)NC2CCCCC2)c2ccc(C(C)C)cc2)c(C)c1 5452156 YAZXRUBTELEARS-HHHXNRCGSA-N 418.581 5.508 0 40 HKAB O=C(COc1ccc2ccccc2c1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 5521430 GSLSMCVEFQHARK-UHFFFAOYSA-N 403.865 6.303 0 40 HKAB Cc1ccc(-c2nc(C(=O)OCc3cc(=O)oc4cc(C)c(C)cc34)cs2)cc1 5564645 IDZVIGDASFCKSX-UHFFFAOYSA-N 405.475 5.199 0 40 HKAB FC(F)(F)c1cc(-c2ccc3ccccc3c2)nc2nc(N3CCCCC3)sc12 6258221 QQEPLRDZKOMKMA-UHFFFAOYSA-N 413.468 6.521 0 40 HKAB Cc1ccc(O)c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 6627064 ADIBZGDFXUBJPM-UHFFFAOYSA-N 411.335 5.349 0 40 HKAB COc1ccc(CNCc2c(OCc3ccccc3F)ccc3ccccc23)cc1 7538481 YCZMKPQPUUTEPA-UHFFFAOYSA-N 401.481 5.856 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c(C)c1 8041452 MAKSFZCGGSDMIS-PMACEKPBSA-N 416.521 5.200 0 40 HKAB Cc1ccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 8667005 LDJRONFDUNAZBG-SFHVURJKSA-N 424.488 5.142 0 40 HKAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)c3c(F)cccc3Cl)ccc21 8959051 CGMPYNWTCDYUDD-UHFFFAOYSA-N 418.896 5.139 0 40 HKAB COc1ccccc1C(=O)Nc1cc(C)c(O)c(-c2nc3cc(C)c(C)cc3o2)c1 12856543 HXSFORQVQRHYTA-UHFFFAOYSA-N 402.450 5.387 0 40 HKAB CCc1ccc(CN(Cc2cccnc2)Cc2c(C)nn(Cc3ccccc3)c2C)cc1 13569099 RHAMEHNRBRTITK-UHFFFAOYSA-N 424.592 5.708 0 40 HKAB COc1ccc(-c2nn(Cc3ccccc3)c(-c3ccc(OC)cc3)c2Cl)cc1 13960481 JEEGIDMZTFEXFB-UHFFFAOYSA-N 404.897 5.936 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccc(F)cc2F)c1 14094411 LZJCVKPJJWLYMF-UHFFFAOYSA-N 420.337 5.488 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 15880214 LFKLRRHEIXMNIK-UHFFFAOYSA-N 421.566 5.133 0 40 HKAB Clc1cc2c(c(CN3CCCC[C@H]3c3nc4ccccc4s3)c1)OCOC2 16046965 GWYZNPCVFPLKMO-SFHVURJKSA-N 400.931 5.543 0 40 HKAB Clc1ccc(COc2ccc(CNCc3ccc4c(c3)OCO4)cc2)c(Cl)c1 16401634 ZUGVENJLLYFADM-UHFFFAOYSA-N 416.304 5.591 0 40 HKAB Cc1ccc(Nc2nc(NC3CCCCCC3)nc3c2cnn3-c2ccccc2)cc1 17042444 AIRFHBXKYGTEBJ-UHFFFAOYSA-N 412.541 6.002 0 40 HKAB CCCCN(CCCC)CCCN(CCCC)CCCN(CCCC)CCCC 19204071 PDWYNYLJGIOZTN-UHFFFAOYSA-N 411.763 6.673 0 40 HKAB CCN(CC)[C@H]1C[C@@H](c2ccc(NC(=O)c3cc(C4CC4)n[nH]3)cc2)O[C@@H](C(C)C)C1 19711773 FXXRVEAESZTWBF-HUVFLSCGSA-N 424.589 5.126 0 40 HKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1 19881493 UOCBQVOEFIZSCZ-SFHVURJKSA-N 418.512 6.019 0 40 HKAB CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc(C)c(Cl)c4)c3)nn12 20609621 GSVKECDQLIJNFG-UHFFFAOYSA-N 411.918 5.019 0 40 HKAB COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1Cl 20610495 AGFBGNKWHVQQEM-UHFFFAOYSA-N 420.900 5.458 0 40 HKAB CCCOc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)c1 20672400 USBBTZWBJIKZDP-JOCHJYFZSA-N 405.498 5.066 0 40 HKAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1 23055388 FHVYBWZCDROMHA-MRXNPFEDSA-N 403.526 5.027 0 40 HKAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cc1coc2ccc3ccccc3c12 24225374 QSHBVCDEYAYYFL-UHFFFAOYSA-N 409.489 5.032 0 40 HKAB O=C(Nc1ccccc1Br)c1ccc(COc2cccc3ccccc23)o1 28223684 CPWXMIYBCGEIIW-UHFFFAOYSA-N 422.278 6.027 0 40 HKAB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 32125201 ZRCKOVVIDSJQLP-UHFFFAOYSA-N 422.381 5.357 0 40 HKAB Cc1ccc(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1C 33659406 RDBGSMJEBYNGTP-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB COc1ccc([C@@H](NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)C2CC2)cc1 48286031 WTSMIKNEUDMQCN-QFIPXVFZSA-N 406.530 5.025 0 40 HKAB CC(C)C[C@@H](NC(=O)c1ccc(COc2ccccc2)o1)c1nc2ccccc2[nH]1 49573913 YILMNDUSBFJQAB-OAQYLSRUSA-N 403.482 5.252 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@@H](C)c1ccc(Cl)cc1Cl 57475482 FRANOVLITKESCQ-ZDUSSCGKSA-N 417.340 5.085 0 40 HKAB C[C@]12Cc3cnc(-c4ccccc4)nc3C[C@@H]1CC[C@@H]1[C@@H]3CC[C@@](C)(O)[C@]3(C)CC[C@H]12 57678735 PHBHRCDYKYBQFC-BMVXNAAQSA-N 416.609 5.852 0 40 HKAB in-vitro Cc1cccc(-c2noc(-c3cn(-c4ccc(Cl)cc4)c(=O)c4ccccc34)n2)c1 67245386 CKYCSNVKOWVMDD-UHFFFAOYSA-N 413.864 5.670 0 40 HKAB O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1Cc1ccc(F)cc1 67259283 ZBYPUSVTFUUJTF-UHFFFAOYSA-N 412.436 5.154 0 40 HKAB CCCCOC(=O)c1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1 71761650 DLRCTZXFLTUWOT-UHFFFAOYSA-N 412.433 5.351 0 40 HKAB CC(=O)Oc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)c1 101597386 GNJZNASHLTUSAU-XMMPIXPASA-N 418.493 5.424 0 40 HKAB C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@@H]1C=CC21OCCO1 140300531 BSIINGMJTPRWBF-RSYZFUPGSA-N 402.534 5.641 0 40 HKAB O=C(NCCSCc1cccc(Cl)c1)c1cccc(OCc2ccccc2)c1 218975920 JWDVZLUPNGXDMS-UHFFFAOYSA-N 411.954 5.582 0 40 HKAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 223878120 UQFLNRHRHLUSLB-DHIUTWEWSA-N 418.566 5.271 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1ccc(C)cc1 224122904 XHISECHJXAVQLP-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 224241248 KTJKTVBWOXZLJK-VWLOTQADSA-N 420.597 5.021 0 40 HKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1CN1CCCCC1 224806263 WFRFFRCYGIFGFK-QGZVFWFLSA-N 402.991 5.123 0 40 HKAB Fc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1F 225860586 OYZXFVDIBQQKTL-UHFFFAOYSA-N 400.416 5.740 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(C4CCCCC4)c3C)N21 260772268 NFOOPFNIKALYIL-LEOXJPRUSA-N 408.615 5.985 0 40 HKAB CCCc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(CC)c1-c1ccccc1 408562714 RPMUDUMVXYBGKZ-LCUIJRPUSA-N 406.595 6.228 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc2c3c(cccc13)CC2 408572287 IGYHTCLQARVFGK-DTQAZKPQSA-N 424.525 5.725 0 40 HKAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)CC1=O 408640489 IYDGBXFZZUCHES-HNNXBMFYSA-N 405.325 5.110 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3Cl)nn2-c2ccccc2)cc1 408695900 UUHZFOGRWFANKR-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccccc2C)c1 408698346 MPULRLPZSKHLHC-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc(C)c2C)nc1-c1ccccc1 408698595 OJBVCOIMCFAUQM-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C(c1ccc(CSc2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1 408778410 FROIWLZQYSUKQG-UHFFFAOYSA-N 423.581 6.822 0 40 HKAB CCCc1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccc(Cl)c(Cl)c1 408833582 TUECXTGURLSSLJ-UHFFFAOYSA-N 409.313 6.461 0 40 HKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc3ccccc3c2)cc1 409089602 OFQXHEMCNWPSIV-UHFFFAOYSA-N 421.569 6.612 0 40 HKAB CCOc1ccccc1CN1CCCCCOc2ccccc2Oc2ncccc2C1 643588102 ABFYOJQEPWZMIH-UHFFFAOYSA-N 418.537 5.838 0 40 HKAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(c2cccc(Oc3ccccc3F)c2)C1=O 1615612161 BEEKRYQQEJVKLM-HSZRJFAPSA-N 424.859 5.633 0 40 HKAB CCc1ccc(S(=O)(=O)Nc2cc3c(C(C)=O)c(C)oc3c3ccccc23)cc1 834426 XDBWFXVMXVCNIU-UHFFFAOYSA-N 407.491 5.460 0 40 HKAB Cc1cccc(OCC(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c(O)c2)c1 1053136 DLMQKHMCAWMPLS-UHFFFAOYSA-N 402.450 5.143 0 40 HKAB CC(C)c1ccccc1Oc1coc2cc(OCc3ccccc3F)ccc2c1=O 1915185 WRSCMSGABDPEHR-UHFFFAOYSA-N 404.437 6.427 0 40 HKAB CCc1cccc(CC)c1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 1993593 BPEJIHBTYPILIQ-UHFFFAOYSA-N 401.506 5.125 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC=O)CC[C@]4(C)[C@H]3CC[C@]12C 2118022 YEYCQJVCAMFWCO-FIQBVEJASA-N 414.674 7.569 0 40 HKAB CCc1cccc(C)c1N(C(=O)COc1ccc(Cl)cc1Cl)[C@@H](C)COC 2178943 LNTUPAFRKLUDEZ-HNNXBMFYSA-N 410.341 5.311 0 40 HKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(OC(F)(F)F)cc2)cc1 2238274 MGMWBSJXXGPTSX-UHFFFAOYSA-N 420.394 5.843 0 40 HKAB CCn1c(NC(=O)c2ccc(F)cc2)c(-c2ccccc2Cl)c(=O)c2ccccc21 2241157 IEJVLLDTZXZHSH-UHFFFAOYSA-N 420.871 5.733 0 40 HKAB CC(C)c1ccc(C(=O)N2c3cc(N)ccc3[C@](C)(c3ccccc3)CC2(C)C)cc1 2250302 TZMNKWNBEAQFCV-NDEPHWFRSA-N 412.577 6.527 0 40 HKAB Cc1cccc(NC(=O)c2c(N)n(-c3cc(C)cc(C)c3)c3nc4ccccc4nc23)c1 2337103 TXOYNSWUSLRGOJ-UHFFFAOYSA-N 421.504 5.333 0 40 HKAB CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1Cl 2375425 IZRGJEIYJKZYEO-NIYFSFCBSA-N 416.285 5.327 0 40 HKAB O=C(Nc1c(Cl)c(Cl)cc(Cl)c1Cl)c1c(Cl)cccc1Cl 2559115 CGNQFNDXWUISSJ-UHFFFAOYSA-N 403.907 6.859 0 40 HKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)COC(=O)c3cccn3C)cc2)cc1 2622045 UQWCQGRFQVAUTI-UHFFFAOYSA-N 420.509 5.301 0 40 HKAB O=C(COc1ccc(Oc2ccccc2)cc1)Nc1nnc(-c2ccccc2)s1 3163930 NMFFSGJDJWXKOS-UHFFFAOYSA-N 403.463 5.015 0 40 HKAB CC(=O)c1sc(NC(=O)c2cccc(Oc3ccccc3)c2)nc1-c1ccccc1 3215555 QTVRLHWONMTMBW-UHFFFAOYSA-N 414.486 6.057 0 40 HKAB C[C@H]1CSC(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)=N1 3227159 NOXCNGGCGCKLBW-JTQLQIEISA-N 414.745 6.177 0 40 HKAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1cc(Cl)ccc1Cl 3272304 LRYHLDVCQGBDRN-UHFFFAOYSA-N 415.651 5.791 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(S[C@H](C)C(C)=O)ncnc32)cc1 3658759 ITYYBSFFDDQBQJ-MRXNPFEDSA-N 403.507 5.166 0 40 HKAB CCCCC1CCC(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)CC1 4079026 CTZYYHRRLIUXHC-UHFFFAOYSA-N 422.392 5.903 0 40 HKAB COc1cccc(C2=NN3[C@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)c1 4310752 WXLQTQPELMKKKT-LDCMCGJDSA-N 424.544 6.293 0 40 HKAB Cc1ccc(C)c(-c2cs/c(=N\c3ccc(F)cc3)n2CCc2ccccc2)c1 4492523 MBBSTPUSUCIEPL-RFBIWTDZSA-N 402.538 6.448 0 40 HKAB Cc1ccc2nc(-c3cc(NC(=O)c4cc5ccccc5o4)ccc3Cl)oc2c1 4538218 OHVFKISRGLNSKK-UHFFFAOYSA-N 402.837 6.455 0 40 HKAB CSc1nnc2c(n1)O[C@@](C)(c1ccc(-c3ccccc3)cc1)Nc1ccccc1-2 4601051 ZFYCAXWEPACNFW-DEOSSOPVSA-N 412.518 5.605 0 40 HKAB Cc1cc(C)c(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)c(Cl)c1 5072427 TYIPLOXGUKYUJD-UHFFFAOYSA-N 417.987 5.571 0 40 HKAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 5478661 VKNUZEQGDCETCO-UHFFFAOYSA-N 422.598 5.634 0 40 HKAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCc3ccc(C(C)(C)C)cc3)ccc12 5548179 MDTBEZDDHPQIKR-UHFFFAOYSA-N 412.529 6.569 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)ccc1Cl 5694715 QTPKLBZZJUUZCT-UHFFFAOYSA-N 408.929 6.212 0 40 HKAB Cc1nc(CSc2nnc(COc3ccccc3C)n2-c2ccccc2)cs1 5882941 GCSHZTJPNWXMAY-UHFFFAOYSA-N 408.552 5.212 0 40 HKAB O=C(Nc1ccccc1N1CCCC1)c1oc2ccccc2c1COc1ccccc1 6610549 QFZBAZSNZZBZBP-UHFFFAOYSA-N 412.489 5.864 0 40 HKAB COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1Br 6846943 HOLKWOFZDVKTLE-UHFFFAOYSA-N 406.663 5.623 0 40 HKAB O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(C(=O)c2ccccc2)cc1 6884950 XXZFENMHAQJROI-UHFFFAOYSA-N 412.470 5.186 0 40 HKAB CCc1ccc(NCc2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 6942829 WWDPEMZQPZEZPD-UHFFFAOYSA-N 408.929 5.840 0 40 HKAB COc1ccc(S[C@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)cc1 6976169 CZAUXULJYFXXBK-LLVKDONJSA-N 400.550 5.575 0 40 HKAB Cc1cccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)S2)c1C 8415191 SMCPHZULNJNLDB-NDENLUEZSA-N 408.910 6.299 0 40 HKAB Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O 8752549 WHMMPTODCRAAMY-IBGZPJMESA-N 415.924 5.567 0 40 HKAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)c1nnc(-c2ccc(F)cc2)o1 9366529 LQHKFIIOXZVLSF-AWEZNQCLSA-N 417.440 5.221 0 40 HKAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cc(Cl)sc1Cl 9404154 NMTFSOLYKGTYII-UHFFFAOYSA-N 410.709 6.192 0 40 HKAB Cc1cccc(CS(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)c1 10112686 AGRKWMHJIJQZMG-UHFFFAOYSA-N 417.983 5.883 0 40 HKAB O=C(CCCSc1ccc(F)cc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 10218104 FFKXQTDUSZIJHH-UHFFFAOYSA-N 416.499 5.189 0 40 HKAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 12561516 HZGYJRYBXODOSF-HYFFOGBASA-N 422.396 5.438 0 40 HKAB COC(=O)c1cc2ccccc2cc1OCc1cc2ccc(SC)cc2nc1Cl 12909772 RLNQPFAYHFBLHD-UHFFFAOYSA-N 423.921 6.129 0 40 HKAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1c(F)cccc1Cl 12927805 MPIUQHOUJURUHF-SOFGYWHQSA-N 417.786 5.175 0 40 HKAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1 13038896 XZTJELFXCCDJGK-RLCBSASNSA-N 411.929 5.213 0 40 HKAB Fc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 13769189 LQYWKXXDJLYOON-AUSIDOKSSA-N 422.843 5.450 0 40 HKAB COc1ccc(CC(=O)Nc2nc(-c3cc(C)n(Cc4ccco4)c3C)cs2)cc1 14111692 GRYNLHUCHRXVGD-UHFFFAOYSA-N 421.522 5.060 0 40 HKAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(-c2nc3ccccc3o2)cc1 14801972 DHUORDLWBYEDPU-UHFFFAOYSA-N 409.445 5.721 0 40 HKAB CSc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(F)cc2)cc1 15082753 VUBMRLSHVWBVFZ-OAHLLOKOSA-N 413.495 5.448 0 40 HKAB O=C(CNC(=O)c1ccccc1Cl)Nc1ccc(Oc2ccccc2Cl)cc1 16303324 UKXLPNYUJFQBPH-UHFFFAOYSA-N 415.276 5.154 0 40 HKAB C[C@@H]1S[C@H](c2cccc(Br)c2)N(c2nc3ccccc3s2)C1=O 16608042 QAKDFWIWDWMESM-MGPLVRAMSA-N 405.342 5.226 0 40 HKAB Cc1ccc(Sc2nc(S(=O)(=O)c3ccc(Cl)cc3)c(Cl)s2)cc1 19958579 WNVURPUZHIVBAF-UHFFFAOYSA-N 416.376 5.742 0 40 HKAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1C 20196868 NXBQEUORWRYEJG-UHFFFAOYSA-N 422.337 5.315 0 40 HKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 20492871 RUNWTJQIOPYERE-SFHVURJKSA-N 408.542 5.279 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 20508664 YSEJUFKHKNFETC-JLHYYAGUSA-N 410.561 5.066 0 40 HKAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(SCc2cccnc2)cc1 22067724 GABGTGWVHCKSPT-UHFFFAOYSA-N 403.334 5.862 0 40 HKAB O=C(/C=C/c1cnn(-c2ccccc2)c1)Nc1ccc(NC(=O)Nc2ccccc2)cc1 23011857 HBHBZABDHJJSHZ-LFIBNONCSA-N 423.476 5.168 0 40 HKAB COc1ccc2nc(NC(=O)Cc3csc(-c4ccc(Cl)cc4)n3)sc2c1 28539598 XYPNKTUDVUASJX-UHFFFAOYSA-N 415.927 5.263 0 40 HKAB Cc1cc(C)nc(Sc2ccc(NC(=O)Cc3csc(-c4ccco4)n3)cc2)n1 29224722 QGZWWNCQDCBAAH-UHFFFAOYSA-N 422.535 5.142 0 40 HKAB CC1=C[C@@H](CN(C)Cc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(C(C)(C)C)o1 30883589 YYKVSYYALWSRHE-FKBYEOEOSA-N 410.606 5.291 0 40 HKAB biogenic,in-vitro Cc1ccc(Cl)cc1NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 32578552 ZIIHSIOOSPYVPX-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CCSCn1nnc(-c2ccc(OC)cc2)c1C(=O)Nc1ccc(C(C)C)cc1 32611852 FQGJILYMCCWZSB-UHFFFAOYSA-N 410.543 5.040 0 40 HKAB Nc1nc(CSc2nc3ccccc3n2C(F)F)nc2sc3c(c12)CCCC3 32850480 MXHYWGDDDLZILV-UHFFFAOYSA-N 417.510 5.189 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OCc1ccccc1 33703574 FAYQYNYFHKQSOK-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB CC(C)n1c([C@H](C)NC(=O)c2cnc(-c3ccc(Cl)cc3)nc2)nc2ccccc21 35317016 HIYWNLYFAKQHQS-HNNXBMFYSA-N 419.916 5.219 0 40 HKAB CN(c1ccccc1)c1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cn1 40143313 XTOLSGJOHOQTDT-UHFFFAOYSA-N 412.493 5.011 0 40 HKAB CN(Cc1ccccc1)C(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 47914317 RSQXAHKAVDAMDT-UHFFFAOYSA-N 417.387 5.215 0 40 HKAB Brc1cccc2c(-c3nc4cccc(Cc5ccccc5)c4o3)cccc12 57352804 RLFTXLGMQFGGFL-UHFFFAOYSA-N 414.302 7.001 0 40 HKAB Cc1cccc(C2=N/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)O2)c1 59463870 DNQGMZZREWJLCC-HMAPJEAMSA-N 403.865 5.572 0 40 HKAB Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccc(C)c(C)c2)n1 67294836 CWQZKZRNBIGXEY-PNHLSOANSA-N 417.896 5.891 0 40 HKAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cccc(C(C)C)c3)oc12 67298920 NPOXMMXMMOPPFO-RFBIWTDZSA-N 416.477 5.320 0 40 HKAB Clc1ccc([C@@H]2C=C(c3ccc(Br)cc3)N=C3N=NNN32)cc1Cl 69701159 FBGDZJAGSDVYQX-HNNXBMFYSA-N 423.101 5.395 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(C)[C@H](C)c3ccncc3)cc12 71939464 NQSGAAWNHKNJTK-OAHLLOKOSA-N 424.957 5.336 0 40 HKAB Cc1ccc(NC(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)cc1Cl 72289150 UOSZHXCXICEDTP-UHFFFAOYSA-N 412.946 5.578 0 40 HKAB CC(=O)Nc1ccc(CN2CCC[C@H]2c2cccc(Cc3ccc(Cl)cc3)n2)cc1 72358119 JLSGLKQCWUPXDC-VWLOTQADSA-N 419.956 5.621 0 40 HKAB CCOC(=O)/C=C/c1cc(Br)c(-c2ccc(Br)cc2F)o1 73638290 QILMISSSDDYVAU-GQCTYLIASA-N 418.056 5.187 0 40 HKAB Cc1ccc2c(-c3cc4c(CN5CCCCCC5)cnc(C)c4o3)cc(=O)oc2c1C 95478138 VEORTQFUYGEBRW-UHFFFAOYSA-N 416.521 5.902 0 40 HKAB CCOc1cc(C(=O)NCCC23CC4CC(CC(C4)C2)C3)cc(OCC)c1OCC 95870111 FUBBQGNDUXDJRL-UHFFFAOYSA-N 415.574 5.219 0 40 HKAB COc1ccc(OC)c([C@H]2CC3=Nc4onc(C)c4[C@H](c4ccccc4)C3=C(O)C2)c1 102735065 PYWDCZCQQKGHIC-HJPURHCSSA-N 416.477 5.608 0 40 HKAB Fc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1Cl 107039673 JNOSWPCQMKKCDU-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118933925 UKRMXWMCDFUMQY-IFITXOQKSA-N 412.702 8.233 0 40 HKAB CC1=CO[C@@]2(CC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118936400 WKIREOBBYBNDMP-QWPWEFNBSA-N 414.630 6.062 0 40 HKAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCS[C@@H](c2ccccc2)CC1 208042068 WFMZGZUEJHMAQP-HSZRJFAPSA-N 414.530 5.815 0 40 HKAB Cc1ccc(SCCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 222594553 ZRSXPWALGSRLFP-UHFFFAOYSA-N 401.582 5.260 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 223658959 PUKBIAFLGNSZGK-QHCPKHFHSA-N 411.586 5.634 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccccc1Cl 224134271 HIXLQZYAWNRZGP-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1cccc2ccccc12 224301060 LLIIAERHNORZFW-UHFFFAOYSA-N 401.437 5.819 0 40 HKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 224374369 ZWEXSDYJBTUKNA-PKTZIBPZSA-N 404.583 5.765 0 40 HKAB CCOC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)c1C 225511103 XHRSAUFDMAOTHR-HSZRJFAPSA-N 418.562 5.556 0 40 HKAB Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3ccccc3Br)oc12 226286324 JYUFTNFNLFZJTG-UHFFFAOYSA-N 419.278 5.726 0 40 HKAB CCCCCCOc1ccc(C(=O)Nc2cccc(I)c2)cc1 408585165 BUYZBLLKGDWAQX-UHFFFAOYSA-N 423.294 5.503 0 40 HKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1cc2c(ccc3ccccc32)o1 408615136 MJLUFJGIYISDOE-UHFFFAOYSA-N 409.510 7.131 0 40 HKAB C[C@H](NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12)c1ccccc1 408621556 ORGFWTHIQYBSPN-INIZCTEOSA-N 402.881 5.320 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2ccc(F)cc2)cc1 408698225 MKONZKOFDWGMEN-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1ccco1 408832048 QYVUKDJOXISPLO-UHFFFAOYSA-N 422.509 6.989 0 40 HKAB COc1ccc(OC)c(/C=C2\N=C(c3sc4cc(C)ccc4c3Cl)OC2=O)c1 408971050 GJWMGSMFMSOTDF-GDNBJRDFSA-N 413.882 5.225 0 40 HKAB O=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)c(Br)c1 409198692 JUHHIEWDDHVUCR-UHFFFAOYSA-N 413.749 5.443 0 40 HKAB Cc1ccc(COc2ccccc2/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409229852 ALTSOVKCNLJJHA-KGENOOAVSA-N 418.880 5.325 0 40 HKAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccccc3)C2=O)cc1 409344414 JEDKVJQDRLQHOW-MBPRGYFXSA-N 406.507 5.041 0 40 HKAB Cc1ccc(-c2cc(NC(=O)c3cc(-c4ccc(Br)cc4)on3)on2)cc1 606422487 VRHAENYTYMNEQD-UHFFFAOYSA-N 424.254 5.320 0 40 HKAB COc1ccccc1Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 712446 GOOSRVFNJHKOTQ-UHFFFAOYSA-N 401.491 5.815 0 40 HKAB COc1ccc(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc1 1083529 BGIBXYMDKGDLSI-UHFFFAOYSA-N 406.532 5.850 0 40 HKAB CCc1cc2ccc(C)cc2nc1SCC(=O)Nc1cc(Cl)ccc1OC 1339952 LXLHNNLYMJPJRR-UHFFFAOYSA-N 400.931 5.498 0 40 HKAB Cc1sc(NC2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1 1354349 UBNBGISZYXPXOG-UHFFFAOYSA-N 421.541 5.815 0 40 HKAB Cc1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1F 2211214 LKOJAALLCKYSFH-UHFFFAOYSA-N 410.496 6.381 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccc(C)cc2)cc1 2264558 ZUTOESGSNIYWRN-UHFFFAOYSA-N 414.505 5.240 0 40 HKAB Cc1ccc(-c2csc3nc(SC(F)F)n(-c4ccccc4)c(=O)c23)cc1C 3199429 LSUNZQJIKCBMHC-UHFFFAOYSA-N 414.502 6.046 0 40 HKAB Clc1ccccc1/C=C1\CCCC2=C1N=C1N=CNN1[C@@H]2c1ccccc1Cl 3207544 CQVVXEGDIXUDOK-FFXXTYGZSA-N 409.320 5.774 0 40 HKAB CCOC(=O)c1c(Nc2nc(-c3ccc(CC)cc3)cs2)sc2c1CCCC2 3261467 NIRMYDGTLRTJOZ-UHFFFAOYSA-N 412.580 6.233 0 40 HKAB CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 3361895 MDPLLIKMVTXCJT-UHFFFAOYSA-N 424.545 5.275 0 40 HKAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc(Cl)c(Cl)c1 3368695 UQLKHGFEIBHVHG-QFIPXVFZSA-N 424.283 6.256 0 40 HKAB O=C1CCCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1 3504354 SYXQWZUZFNWQIZ-QGZVFWFLSA-N 422.337 5.497 0 40 HKAB C/C(=C\c1ccccc1)[C@@H]1C(=O)N(c2cccc(C)c2C)CC(=O)N1c1ccccc1 4090647 JUMWMUFCPNLPTF-CIEQNIFPSA-N 410.517 5.155 0 40 HKAB biogenic CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2)CSC3)cc1 4176045 JUNHCDNDUIZIHE-UHFFFAOYSA-N 407.539 5.359 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)cc2Cl)N3)C1 4545544 AQCBYPSYPUHQPE-ADLMAVQZSA-N 423.409 7.025 0 40 HKAB O=C1c2[nH]c3ccccc3c2[C@@H](c2cccc(Cl)c2)OCCN1Cc1ccccc1 4722768 NPUQLCSTLNVIBD-XMMPIXPASA-N 416.908 5.583 0 40 HKAB Cc1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)[C@H]2NC2CCCCC2)cc1 5105032 YRQYUGOENIATHT-WUFINQPMSA-N 409.577 6.252 0 40 HKAB CCOc1ccccc1NC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 5128975 JSJHORCVNDAEJN-UHFFFAOYSA-N 405.281 5.266 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3)c3ccccc23)c1C 5242604 OFQZMUQBHXNUFY-UHFFFAOYSA-N 415.518 5.419 0 40 HKAB CCOc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1 5460660 DRZDJOJFYKJFFQ-GMAHTHKFSA-N 403.913 6.235 0 40 HKAB Clc1cccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1 5518096 IZHOKLISFDERLT-UHFFFAOYSA-N 404.947 7.148 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3C)c3ccccc3n2)cc1 6215363 POKVJKUOLRRLPJ-UHFFFAOYSA-N 402.881 6.125 0 40 HKAB CC[C@@H](C)n1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nc2ccccc2c1=O 7237762 FQHVWEDDYQGZBD-CQSZACIVSA-N 409.555 5.096 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1NC(=O)c1ccco1 8131114 ACONSKKUULQXBM-UHFFFAOYSA-N 418.449 5.134 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccnn3C3CCCC3)c2n1 8402037 DGAIDRDJJSZWHZ-UHFFFAOYSA-N 419.312 5.179 0 40 HKAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c1 8500001 YWYSHQFUMDSJBF-OAHLLOKOSA-N 412.382 5.427 0 40 HKAB Cc1c(NC(=S)NC(=O)c2ccccc2F)cccc1-c1nc2ccccc2s1 9892075 YVAHPVPVXCIOQH-UHFFFAOYSA-N 421.522 5.538 0 40 HKAB COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nnc(-c2ccccc2)o1 10157754 VAFVAGFWCUWRMD-UHFFFAOYSA-N 421.522 5.066 0 40 HKAB C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)c1nnc(-c2ccccc2)o1 12598717 YALDDZCJHVZPQO-OLZOCXBDSA-N 424.551 5.826 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)CCCSc1nc2ccccc2s1 12681252 IFLTVGASJQOYJR-UHFFFAOYSA-N 424.547 5.384 0 40 HKAB CC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)c1C 12821343 JPWQJXXUXQELJY-ACCUITESSA-N 410.926 5.987 0 40 HKAB COc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3-c3nc4ccccc4n32)cc1 13714568 MWBIAKLXCKQCEP-MUUNZHRXSA-N 417.512 6.279 0 40 HKAB CC1CCN(c2ccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)cc2)CC1 14780885 DHITWRFUDQDYGV-UHFFFAOYSA-N 407.489 5.288 0 40 HKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c1 17091819 SWZXBPANMVWDBI-UHFFFAOYSA-N 419.481 5.378 0 40 HKAB COc1ccc2c(c1)C=C(C(=O)Nc1ncc(Cc3cccc(Cl)c3)s1)C=CO2 19809992 FHXPXHPXQTZDDZ-UHFFFAOYSA-N 424.909 5.324 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)NCCc1csc(-c2ccccn2)n1 19942284 CXUOSPQDJLBZKW-UHFFFAOYSA-N 413.546 5.086 0 40 HKAB COc1c(Br)cc(F)cc1NC(=O)Cc1coc2cc3c(cc12)CCC3 23512910 HQPHSFDWDVAASD-UHFFFAOYSA-N 418.262 5.013 0 40 HKAB COc1cccc(NC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc23)c1 32985818 SLZYXYJPWUMIIQ-UHFFFAOYSA-N 402.425 5.067 0 40 HKAB O=C(COc1cccc(-c2noc(-c3ccccc3Cl)n2)c1)Nc1ccc(F)cc1 33327292 QKWPZYOXXZZXFW-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB COc1ccc(NC(=O)c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)cn1 33423023 SWCORTILYCGLAQ-UHFFFAOYSA-N 423.778 5.202 0 40 HKAB Cc1cc(C)c(-c2csc(NC(=O)Cc3c(C)nn(C(F)F)c3C)n2)cc1C 58414024 ILZSXNULHXPCBP-UHFFFAOYSA-N 404.486 5.125 0 40 HKAB CC(=O)Nc1cccc(-n2c(C)nnc2SCc2ccc(Cl)cc2Cl)c1 58670162 JQYMPPOOEKCMIZ-UHFFFAOYSA-N 407.326 5.133 0 40 HKAB CSc1nc2ccc3nc(Nc4nc5c(Cl)cccc5s4)sc3c2s1 62007441 ITPGANZKIAPIBP-UHFFFAOYSA-N 420.997 6.635 0 40 HKAB Cc1ccc(-c2cc3c4nnc(SCc5ccc(F)cc5)n4ccn3n2)cc1C 67260636 LUJOTHPSZHBMKB-UHFFFAOYSA-N 403.486 5.092 0 40 HKAB CC[C@H](C)n1c(SCC(=O)Nc2ccc(C)cc2Cl)nc2ccsc2c1=O 67335121 PCHCFLMUVSUSDA-LBPRGKRZSA-N 421.975 5.122 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N(CCc1cccs1)Cc1cccnc1 77183837 UFNKUVMKTOOPFK-UHFFFAOYSA-N 414.958 5.225 0 40 HKAB O=C(/C=C/c1cscn1)Nc1ccc(Oc2ccc(Br)cc2)cc1 84405269 OPBNAYLTRFVGDC-BJMVGYQFSA-N 401.285 5.350 0 40 HKAB Cc1ccc(NC(=O)c2ccnn2-c2ccc3ccc(-c4ccncc4)cn23)c(C)c1 96155269 WYPKOMQUPMEILI-UHFFFAOYSA-N 407.477 5.056 0 40 HKAB C[C@@H]1CC[C@H]2C(=O)N(CNc3ccc(Oc4ccc5ccccc5c4)cc3)C(=O)[C@@H]2C1 102537001 BWLZDFWYWRTESW-UOKFIYJESA-N 414.505 5.423 0 40 HKAB O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 102638359 MLORWQSOIOMVMV-DNQXCXABSA-N 423.468 5.028 0 40 HKAB COc1ccccc1[C@H]1C2=C(O)C[C@@H](c3ccc(O)cc3)CC2=Nc2onc(C)c21 102731629 ROGOAEAYQCQEIE-OYHNWAKOSA-N 402.450 5.305 0 40 HKAB Cc1cc(C)c(OCCn2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)c(C)c1 107608948 JOMWXRNCFPHCGD-UHFFFAOYSA-N 411.929 5.830 0 40 HKAB CC(=O)O[C@H](C)[C@H]1[C@H](OC(C)=O)C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118927130 IZBSXDTURZCMRK-WTQHIPSCSA-N 404.591 5.529 0 40 HKAB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2Cl)C1=O 214136797 FHZZNQLDWXSJDJ-FYJGNVAPSA-N 423.921 6.128 0 40 HKAB Cc1ccc(C(=O)[C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN23)cc1 222396901 SELOHVQCYJVCBE-RDGATRHJSA-N 416.908 5.709 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 222936000 SXJCCSQDQDBBEY-DNQXCXABSA-N 411.586 6.054 0 40 HKAB Fc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 223107643 VRYAUFKJTOFCNV-XZOQPEGZSA-N 420.557 5.317 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1C(C)C 223273894 UGGOUWSUBPCSER-OAHLLOKOSA-N 423.981 6.030 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccc(C)cc1 223605553 MHJVNOOGWIWVHV-YVUGPFRESA-N 404.535 5.095 0 40 HKAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C1(c2ccccc2)CCCC1 223611769 PNDNFLXDTMSTNM-UHFFFAOYSA-N 403.909 6.022 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)C1CCN(Cc2ccc(Cl)cc2)CC1 224536727 FTVFQOQCXCCBQT-UHFFFAOYSA-N 418.924 6.090 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCSCc1cccc2ccccc12 224993016 SAQZVQXNPSKLGE-UHFFFAOYSA-N 413.970 5.700 0 40 HKAB Cc1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)c(Cl)c1 225006584 YYNRICXEULIRJT-UHFFFAOYSA-N 410.351 5.698 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225266889 HHGXYYHBOIJDBL-UHFFFAOYSA-N 416.695 6.442 0 40 HKAB COc1cc(C)c(C(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1C(C)C 225670599 QORUAHUVLDHAKX-UHFFFAOYSA-N 413.905 5.103 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C(F)(F)F 225686067 HHRMZQRZRGYPIG-UHFFFAOYSA-N 411.851 6.208 0 40 HKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3CC=CCC3)CC2)on1 257229113 FWSKQZUFRDNFFX-UFYCRDLUSA-N 422.573 5.310 0 40 HKAB CCCOc1ccc(CC(=O)O)cc1-c1cc(-c2cccc(F)c2)n(CC(C)C)n1 257297249 RGMYJYJKBBHIQE-UHFFFAOYSA-N 410.489 5.428 0 40 HKAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl 408559850 NBXBHGYNRYDOCK-UHFFFAOYSA-N 414.232 5.212 0 40 HKAB O=C(O)/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)Sc1nc2ccccc2o1 408635153 XIBVCXYJDINHER-BKUYFWCQSA-N 421.449 5.764 0 40 HKAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 408678080 FFHXEBKOGYQNHI-HNNXBMFYSA-N 412.382 5.427 0 40 HKAB CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(C)ccc3C)n2)cc1 408696276 ZDVBJAUBFZEPGA-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 409176630 TVVKTZVJNGVZNN-SFHVURJKSA-N 404.535 5.044 0 40 HKAB CC(C)C(NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2)C(C)C 409177517 BOBZZDYJQLIVBS-PGJDGTSESA-N 416.609 6.394 0 40 HKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(C)cc2C)nc1-c1ccc(F)cc1 409196021 MJSJMKNFSMOFBK-UHFFFAOYSA-N 424.541 6.120 0 40 HKAB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(F)cc3)n2C)cc1 409204926 DLAXXHGWOUSJDO-LCUIJRPUSA-N 418.493 5.309 0 40 HKAB Cn1c(SCc2ccc(F)cc2)nnc1-c1cc2cc(Br)ccc2o1 409329615 GIPNQBRVOPBDBY-UHFFFAOYSA-N 418.291 5.422 0 40 HKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 409376734 APKXXHPYAIFZCQ-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 409377319 GGKIMUJKAQWSGW-UHFFFAOYSA-N 408.473 5.162 0 40 HKAB COc1ccc([C@@H](C)CC(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)cc1 507275690 BSBLGYVDVRZZQM-MBSDFSHPSA-N 403.526 5.333 0 40 HKAB CC(C)=CCC[C@]1(C)Oc2ccc(-c3ccc(C(=O)O)cc3)cc2[C@@H]2OCCC[C@H]21 585265919 WYSGYYNEAGLQML-CWDLOFLHSA-N 406.522 6.417 0 40 HKAB CCc1ccc(OCc2nnc(SCC(=O)Nc3cccc4ccccc34)o2)cc1 682097 RHDVTUVRSKZIJK-UHFFFAOYSA-N 419.506 5.095 0 40 HKAB Cc1ccc2[nH]c(=O)c(-c3nc4cccc(C)n4c3NCCc3ccccc3)cc2c1 1330259 SYSIWCZGHVOWRY-UHFFFAOYSA-N 408.505 5.114 0 40 HKAB C[C@H]1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2N1C(=O)c1ccccc1 1381828 FEHLZDLWHOZTGV-HNNXBMFYSA-N 408.860 5.061 0 40 HKAB O=C1C(Nc2ccc(Cl)cc2)=C[C@H](c2ccccc2F)N1c1ccc(Cl)cc1 2061310 LURFCXYXVRUNSC-OAQYLSRUSA-N 413.279 6.216 0 40 HKAB COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(Cl)cc1Cl 2086127 ZIHXQBDYTJDNOO-UHFFFAOYSA-N 420.317 6.069 0 40 HKAB Cc1coc2cc3oc(=O)c(CCC(=O)N[C@@H](C)CCc4ccccc4)c(C)c3cc12 2151881 XJXUQCAZMFMUIH-KRWDZBQOSA-N 417.505 5.226 0 40 HKAB biogenic Cc1nn(-c2ccccc2)c(NC(=O)C2CCCCC2)c(-c2ccc(Cl)cc2)c1=O 2197301 WMHKTFKFGYQQJU-UHFFFAOYSA-N 421.928 5.380 0 40 HKAB CC(C)(C)C1CCC(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)CC1 2641575 HHWIAKQYCHVMKT-UHFFFAOYSA-N 411.398 6.908 0 40 HKAB CCOc1ccc(-c2nnc3c4cc(F)ccc4n(Cc4ccc(F)cc4)cc2-3)cc1 2689456 XQJCNKPLWWRWRX-UHFFFAOYSA-N 415.443 5.928 0 40 HKAB CCOc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 2714758 YZSLKVIXMSYVPF-UHFFFAOYSA-N 424.479 6.369 0 40 HKAB CCOC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CC[C@H](CC)C2 2736488 FKCOGHHOWFMILZ-LBPRGKRZSA-N 406.935 5.737 0 40 HKAB O=C(Oc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccccc12 2766435 RNXZYENIHCUVSO-UHFFFAOYSA-N 404.263 5.884 0 40 HKAB O=C1S/C(=C\c2c(Cl)cccc2Cl)C(=O)N1CNc1ccc(Cl)cc1 3101312 KLLBNQQWDOJTKI-NVNXTCNLSA-N 413.713 5.753 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 3318913 VUBNOAXIBBXZGT-QFIPXVFZSA-N 411.486 5.934 0 40 HKAB COc1ccccc1-n1cc(-c2ccccc2)c2c(S[C@@H](C)C(C)=O)ncnc21 3658727 ZMNSHCLMVUOYMW-INIZCTEOSA-N 403.507 5.166 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCC(=O)O)C1 4073862 JBALICPRCDQXRA-DWRWLNPOSA-N 416.602 5.998 0 40 HKAB biogenic O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1CC12CC3CC(CC(C3)C1)C2 4199623 LMUGMGXUCDYYGJ-SFZFNBQMSA-N 423.556 5.095 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(C)cc2)cc1 4281968 PDONABPSOACVER-WIOPSUGQSA-N 400.478 5.255 0 40 HKAB CCCCCCOc1ccc(/C=C/C(=O)Nc2nnc(CCCC)s2)cc1OC 4342395 OLBPQMMHVVDTSQ-WYMLVPIESA-N 417.575 5.500 0 40 HKAB Cc1c(CC(=O)NCc2ccc(F)cc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 4743909 IPKYIVWSRFVJPR-UHFFFAOYSA-N 421.468 5.143 0 40 HKAB CCOc1ccc(-c2nnc(S[C@H](C)C(=O)c3c(C)[nH]c4ccccc34)o2)cc1 5170177 QDIPTHXKQOIIBL-CQSZACIVSA-N 407.495 5.289 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)N1CCCc2ccccc21 5242984 ANZUFJJUCKTTGS-UHFFFAOYSA-N 411.530 5.368 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 6341996 JGTYHQJIKGCFOA-UHFFFAOYSA-N 411.263 6.600 0 40 HKAB C[C@@H]1CCCCN1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 6592865 BNJCFVMKBBNGGG-FQRUVTKNSA-N 411.549 5.392 0 40 HKAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O 6921189 CWGSYZXRAYQLFZ-GIJQJNRQSA-N 400.862 5.505 0 40 HKAB COc1ccc(OC)c(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1 7078212 NAXKNRUJNWXBQT-UHFFFAOYSA-N 406.511 5.071 0 40 HKAB COc1ccc(Cl)cc1NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 7604346 MVLXEWMVBYMIJE-UHFFFAOYSA-N 404.853 5.090 0 40 HKAB c1ccc(Cn2c(SCc3csc(-c4ccsc4)n3)nnc2C2CC2)cc1 7729445 CVMFCJHWINPZAW-UHFFFAOYSA-N 410.593 5.681 0 40 HKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCC(=O)c1ccccc1 8009884 IFWBDMUZZAGCKC-UHFFFAOYSA-N 423.516 5.161 0 40 HKAB O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)N1CCC[C@@H]1c1nc2ccccc2s1 8744917 HTCNWVDIOLTXGO-QPGLYAHGSA-N 422.937 5.645 0 40 HKAB Cc1ccc(C)c(CSC2=NCCN2C(=O)COc2ccc(Cl)cc2Cl)c1 9381081 ZYLZCMQTTVEGEH-UHFFFAOYSA-N 423.365 5.121 0 40 HKAB CCc1ccc(-c2noc(CSc3nnc(-c4ccccc4F)n3C3CC3)n2)cc1 9606061 ZQXKTBJLMCMBHY-UHFFFAOYSA-N 421.501 5.324 0 40 HKAB Cc1cc2oc(C(=O)Nc3cc4ccc(Cl)cc4s3)cc(=O)c2cc1Cl 11914299 NEKRTJZVAUNAHG-UHFFFAOYSA-N 404.274 5.875 0 40 HKAB O=C(NCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl)c1ccccc1 12616116 ARTUZERLUWGHFF-UHFFFAOYSA-N 410.304 5.321 0 40 HKAB O=C1CCC[C@@H]1Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 12633792 JEIAUDVQBPIHPG-IBGZPJMESA-N 408.914 5.283 0 40 HKAB CCc1ccc(-c2cs/c(=N\c3ccc(C)cc3)n2Cc2ccccc2Cl)cc1 15978303 JWYKLXWSEVWKCY-RFBIWTDZSA-N 418.993 7.022 0 40 HKAB COc1ccc(/N=c2\scc(-c3cc4ccccc4o3)n2C[C@H]2CCCO2)cc1 16045092 WPLDXJHYPBWAOY-QNBCRBJRSA-N 406.507 5.383 0 40 HKAB O=C(NC1CCN(Cc2ccccc2)CC1)c1sc2cc(F)ccc2c1Cl 17362949 SGIXTRQSXBONEG-UHFFFAOYSA-N 402.922 5.088 0 40 HKAB c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCCN3Cc3cccnc3)n2)cc1 19373050 WOJGEWPSRUIARZ-DEOSSOPVSA-N 422.536 5.404 0 40 HKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(Cl)cc1Cl 20144227 WKDOMBULXSFTBA-UHFFFAOYSA-N 406.265 5.072 0 40 HKAB COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1cc2ccccc2o1 20611387 OSJCYOCBBKFBEM-UHFFFAOYSA-N 419.824 5.550 0 40 HKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 21005529 WIJWMFXLPJIJFX-HSZRJFAPSA-N 413.452 5.165 0 40 HKAB COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2C)cc1 21798000 ICYKPQKMIUZJLY-UHFFFAOYSA-N 406.489 6.148 0 40 HKAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 22278472 IMFSJYVWIVODDF-UHFFFAOYSA-N 421.394 5.137 0 40 HKAB CC(=O)c1c(C)nc(-c2ccccc2)nc1SCC(=O)Nc1cccc(Cl)c1 27789754 OIKVNIQJSGLQMQ-UHFFFAOYSA-N 411.914 5.039 0 40 HKAB C[C@@H]1CCc2nc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)sc2C1 29064086 XJPQCURQQNNCSH-GFCCVEGCSA-N 401.919 5.148 0 40 HKAB Cc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c(C)c1 30752971 NZMDUIWNJFQRIV-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)COc3ccc(C)c(C)c3)n2)cc1 32622838 PKDGJTPVEXOFPX-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB Cc1cccc(C)c1NC(=O)CCc1nc(CSc2nc3ccccc3s2)no1 33270789 YGAODLSCCQYUEE-UHFFFAOYSA-N 424.551 5.160 0 40 HKAB CCc1cccc(C)c1Nc1c(-c2cc(OC)c(O)c(OC)c2)nc2ccccn12 35606448 RRWJVVSVFAANHP-UHFFFAOYSA-N 403.482 5.339 0 40 HKAB O=C1C(O)=C(c2ccccc2)[C@H](c2ccc(Cl)cc2)N1Cc1ccc(Cl)cc1 36475385 JBLWOQCDCQYUKI-NRFANRHFSA-N 410.300 6.046 0 40 HKAB COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)[C@H]2O)cc1 36611827 YMJKZILDEATXRU-COLGPFJESA-N 404.550 5.614 0 40 HKAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)NCc1ccccc1Cn1cccn1 40067865 ZNWAVPYPSCCIMK-HNNXBMFYSA-N 417.340 5.141 0 40 HKAB COc1ccc([C@@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1OC 44899871 CDSWCNPBFWUBHN-WNSCPLKPSA-N 421.924 5.775 0 40 HKAB O=C(CSc1ncc(-c2ccc(Br)cc2)o1)Nc1ccc(Cl)cc1 45922571 HWGDWELAMZNUOO-UHFFFAOYSA-N 423.719 5.488 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(Cc1c(F)cccc1Cl)C1CC1 48250168 VWMPIYDTLQYWLN-UHFFFAOYSA-N 411.908 5.015 0 40 HKAB CCOc1cccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 57317076 IQVULXYGPRETAB-UHFFFAOYSA-N 400.272 5.038 0 40 HKAB COc1ccc([C@H](C)NC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1F 58159951 FMDUXXZRWHJJKM-HNNXBMFYSA-N 422.460 5.361 0 40 HKAB Cc1ccc(NC(=O)CSc2cc(C)nc(-c3cccc(F)c3)n2)c(Cl)c1 67257352 WILQUXGOASBSMR-UHFFFAOYSA-N 401.894 5.284 0 40 HKAB Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)cc1C 67259567 QPBLMUKLEANGNY-UHFFFAOYSA-N 420.965 6.007 0 40 HKAB CCc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 67289767 OFUANJKSUXPMTI-UHFFFAOYSA-N 416.550 5.306 0 40 HKAB C/C(=C\c1ccccc1)CN1CC[C@@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 72371556 JALQDHIXHWKOLO-JENJNIGESA-N 405.517 5.063 0 40 HKAB Cc1nc(CN(Cc2nnc(C(C)(C)C)o2)[C@H](C)c2ccc(Cl)cc2)oc1C 89558296 OQVXCGGZAPKPGX-CQSZACIVSA-N 402.926 5.389 0 40 HKAB CN(C)c1cc(C(F)(F)F)cc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1 91695540 RHFWEWANTZYSSV-UHFFFAOYSA-N 419.834 5.739 0 40 HKAB COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)cc2)cc1 101325160 GZCGXCBVINXAFO-UHFFFAOYSA-N 405.837 5.374 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1ccc3ccccc3c1)CC(C)(C)O2 219031039 KLSPSEFJEGRBCE-KSFYIVLOSA-N 405.494 5.034 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccc(Cl)cc1 224502093 MXROJFSWFORIHY-UHFFFAOYSA-N 423.896 5.773 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 224519506 WKAPOJFJIFPLDB-UHFFFAOYSA-N 403.522 6.214 0 40 HKAB Cc1cc(NC(=O)C2(c3ccccc3F)CCCC2)cc(C)c1OCc1ccccc1 225518335 WBNZBBANCATJPX-UHFFFAOYSA-N 417.524 6.472 0 40 HKAB COc1ccccc1CCCNC(=S)Nc1ccc(Br)c(Cl)c1 225550549 JAMCAFRPRMSTLJ-UHFFFAOYSA-N 413.768 5.030 0 40 HKAB Cc1ccccc1-c1noc(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 225815969 DUAJKFMTBFQLJU-UHFFFAOYSA-N 409.795 5.289 0 40 HKAB S=C(Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1)NC1CCCCC1 226008994 KQDBDAALWZAVJT-UHFFFAOYSA-N 420.538 5.680 0 40 HKAB O=C(O)/C=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 226341663 UBFFMZXIUKKDEF-CMDGGOBGSA-N 417.686 5.933 0 40 HKAB O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 250643989 HYZRTANCWKKQLC-GWHRYDNLSA-N 408.545 5.913 0 40 HKAB CCc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@H](C)[C@H]4C)ccc32)c1-c1ccc(F)cc1 253573119 RAMFASYYRUIAST-GCKMJXCFSA-N 418.516 5.410 0 40 HKAB CN(C)c1ccc(C(=O)N[C@H]2C(C)(C)[C@@H]3C[C@@H]4[C@@H](c5ccccc5)OCC[C@@]42C3)cc1 257293308 QOYORGRDLPCOFF-WICZROIOSA-N 418.581 5.065 0 40 HKAB CC[C@@H]1O[C@@H]2c3cc(CC(=O)O)ccc3OC(C)(C)[C@H]2C[C@H]1c1cccc(Cl)c1 257305718 SREARQPRSQQONU-QUZFRVLNSA-N 414.929 5.778 0 40 HKAB Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)o2)cc1Cl 260778071 QZAARLCWHHICMV-PUCZYUMASA-N 409.942 5.893 0 40 HKAB COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cc(C)ccc3C)n2)cc1 408693853 GANGZKQKXUDVSZ-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB Oc1nc(-c2ccc(OCc3cccc(F)c3)cc2)nc2sc3c(c12)CCCC3 408733827 APBNSWKQPXQNQP-UHFFFAOYSA-N 406.482 5.661 0 40 HKAB COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c(C)c1 408801831 CDILKEJTTJTOPI-MTBBSATLSA-N 421.586 6.058 0 40 HKAB O=C1S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1CCc1ccccc1 409004556 BQVZAGZNARIYRI-QJOMJCCJSA-N 415.514 5.545 0 40 HKAB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccc2ccccc2c1 409120922 XCTOYBLZODZNJJ-JLPGSUDCSA-N 421.496 6.310 0 40 HKAB O=C1S/C(=C/c2ccc(Sc3ccccc3)cc2)C(=O)N1CC1CCCCC1 409134200 NRHKBOXFCHBQJJ-RCCKNPSSSA-N 409.576 6.454 0 40 HKAB Cc1ccccc1OCc1nn(CC(=O)Nc2ccc(Cl)c(Cl)c2)c(=S)o1 409164636 LIKKHNIRZBRBNB-UHFFFAOYSA-N 424.309 5.039 0 40 HKAB Cc1ccc(SCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 409411711 KINVMVGTKBBIHX-UHFFFAOYSA-N 407.604 6.118 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C(N)=O)C1 670671 SGFDIIDUPOLRIC-CYBMUJFWSA-N 404.963 5.294 0 40 HKAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)Nc3ccccc3)C3CCCCC3)cc2c1 875484 XFWGJHKYNBDSTK-UHFFFAOYSA-N 419.594 5.677 0 40 HKAB COc1ccc(NCN2C(=O)S/C(=C\c3ccc(SC)cc3)C2=O)cc1Cl 1198543 IUSDWJKQOAQDIF-MFOYZWKCSA-N 420.943 5.176 0 40 HKAB Cc1cc(C)c(OC(=O)c2ccc(C(=O)Oc3c(C)cc(C)cc3C)cc2)c(C)c1 1569211 ROZWCSUSXKDRGI-UHFFFAOYSA-N 402.490 5.976 0 40 HKAB CCN(CC)c1ccc2c(c1)OC(=O)[C@@H]1[C@@H](c3ccccc3)[C@@H](/C=C/c3ccccc3)[C@H]21 1878294 RKLFVJNLWODOCW-FOLKFUMCSA-N 423.556 6.279 0 40 HKAB CCCc1nc2sc3c(NC4CCCCC4)ncnc3c2c2c1COC(C)(C)C2 2260909 OEYBCQQJTYVKOG-UHFFFAOYSA-N 410.587 5.788 0 40 HKAB COc1cccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(C)cc2)c1 2351291 UILXPSJXTJRXMV-UHFFFAOYSA-N 421.953 6.197 0 40 HKAB Cc1cccc(Cn2nc(C(C)(C)C)cc2-c2n[nH]c(=S)n2C2CCCCC2)c1 2381252 RUYPFKGTGDETPS-UHFFFAOYSA-N 409.603 5.964 0 40 HKAB Brc1cccc(-c2nc3ccccc3n2CCCOc2ccccc2)c1 2689419 LFQRNGAYYMPEFT-UHFFFAOYSA-N 407.311 5.935 0 40 HKAB O=C(/C=C/c1cccs1)Nc1nc(-c2cccs2)c(C(=O)C(F)(F)F)s1 2699315 JEYFPZPEKCCQMT-AATRIKPKSA-N 414.455 5.330 0 40 HKAB CC[C@@H](C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1 3230143 XWNCOLGHAKEYMO-HXUWFJFHSA-N 405.519 5.513 0 40 HKAB Cc1cc(Oc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)cc(C(C)C)c1 3332774 DAPYOOWPDDTQNI-UHFFFAOYSA-N 415.562 6.856 0 40 HKAB O=C(Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12)c1ccccc1Cl 4162537 CQGAPLMHAVCIRJ-UHFFFAOYSA-N 408.816 5.730 0 40 HKAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)C2CCCC2)cc1 4216400 QTEGIZHVVFBYRO-QHCPKHFHSA-N 408.542 5.163 0 40 HKAB CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNCc1ccc(C(=O)O)cc1 4475394 CQAXFWGFFLQWMP-RZDMPUFOSA-N 419.609 6.308 0 40 HKAB CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cccc4ccccc34)c2c1 4610397 VVFMNQYWUJNBOD-UHFFFAOYSA-N 402.497 6.870 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)CCc2ccccc2)c1 4659887 FYMWGRBNKBWMRC-UHFFFAOYSA-N 422.912 5.562 0 40 HKAB CCc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)cc1 4933847 NTSIRPAOEHZHLJ-QFIPXVFZSA-N 404.510 5.145 0 40 HKAB Fc1ccc(C2=NN(c3ccc(Br)cc3)[C@@H](c3ccccc3F)C2)cc1 5018241 GHSHLVFTRVEXFP-OAQYLSRUSA-N 413.265 6.083 0 40 HKAB CCC(CC)COC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc12 5029664 GVHXGEJGIPBXCL-UHFFFAOYSA-N 402.498 5.057 0 40 HKAB Cc1ccc(NC(=O)CSCC(=O)OCc2c(Cl)cccc2Cl)c(C)c1 5036021 QCGYXQZWCDKKJX-UHFFFAOYSA-N 412.338 5.025 0 40 HKAB C=Cc1ccc(COc2ccc(-c3ncncc3-c3ccc(OC)cc3)c(O)c2)cc1 5353028 AIODOJXBSWHRMI-UHFFFAOYSA-N 410.473 5.747 0 40 HKAB biogenic COc1ccc(-c2c3c4n(c(-c5ccc(OC)cc5)cn4c2C(C)=O)CCCC3)cc1 5835215 FCYMKMNUPARWSV-UHFFFAOYSA-N 414.505 5.631 0 40 HKAB C[C@H]1CCC[C@H](C)N1C(=S)SCC(=O)Nc1ccccc1Cc1ccccc1 6083280 SKQLREQXZQLRQM-ROUUACIJSA-N 412.624 5.497 0 40 HKAB C[C@H]1CCc2sc(-c3nnc(SCc4nc(-c5ccccc5)no4)o3)cc2C1 6589515 LLOPQIDTDXRZPX-LBPRGKRZSA-N 410.524 5.265 0 40 HKAB Cc1ccc(-c2csc(Cc3nc(-c4ccc5c(c4)CCC(=O)N5)cs3)n2)cc1 8276958 QTHUZPBUXIHANV-UHFFFAOYSA-N 417.559 5.718 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c1 8335527 FIGNQGGFZHSVOF-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB O=C(O)c1csc(-n2nc(-c3ccc4ccccc4c3)cc2C(F)(F)C(F)F)n1 8750722 JWJFKDUPIBGBDD-UHFFFAOYSA-N 421.375 5.204 0 40 HKAB COc1cc(SC)ccc1C(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 9466921 YZJXHTZGHWAVAN-OAQYLSRUSA-N 417.534 5.007 0 40 HKAB COc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)c(OC)c1 9683302 CSXGTORLXRFRBU-NRFANRHFSA-N 421.884 5.609 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(CN2CCCC2)cc1 10332352 NDLXMZZEKBRTOD-UHFFFAOYSA-N 406.913 5.980 0 40 HKAB Cc1cc(SCc2cn3cc(C(F)(F)F)cc(Cl)c3n2)nc2ccccc12 12659303 FGQBENWQCHSRBR-UHFFFAOYSA-N 407.848 6.155 0 40 HKAB CN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccccc1 12987652 CJYSKNUBHYSLGA-UHFFFAOYSA-N 413.321 5.187 0 40 HKAB O=c1[nH]c(CNC(c2ccccc2)c2ccccc2)nc2scc(-c3ccccc3)c12 14093077 QGMFLRQGCSVCPL-UHFFFAOYSA-N 423.541 5.531 0 40 HKAB Cc1ccc(-c2cnc(CCC(=O)OCc3csc(-c4ccc(F)cc4)n3)o2)cc1 14802998 IEKOTMNRMOCDMC-UHFFFAOYSA-N 422.481 5.589 0 40 HKAB Cc1cccc(C)c1N1C(=O)c2ccccc2N[C@H]1c1ccc2oc3ccccc3c2c1 15106005 MAWXOHPQMSJMDJ-HHHXNRCGSA-N 418.496 6.974 0 40 HKAB Cc1ccc(-c2nc3ccccc3c3nnc(SCc4ccc5nonc5c4)n23)cc1 15868047 RISLDFQXEVZFKS-UHFFFAOYSA-N 424.489 5.081 0 40 HKAB O=C(C[C@H](Sc1cccc(Cl)c1Cl)c1ccc(Cl)cc1)c1ccccc1 16476534 VRTJZZDOIVASRO-FQEVSTJZSA-N 421.776 7.753 0 40 HKAB O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccccc1 17087570 GQXXYMYXLYWJMX-UHFFFAOYSA-N 406.898 5.010 0 40 HKAB COc1ccc(OC)c([C@H]2SCC(=O)N2c2ccc(Oc3ccccc3)cc2)c1 17197992 SLGWTXRMOTYZSW-HSZRJFAPSA-N 407.491 5.275 0 40 HKAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 20459893 VASPDRPDVDJGLL-ZFGQVMFLSA-N 405.538 5.569 0 40 HKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)c1 21579388 YCHQPVZKBSALPE-MRXNPFEDSA-N 416.477 5.933 0 40 HKAB CC1(C(=O)OCC(=O)c2ccc(Br)cc2)c2ccccc2-c2ccccc21 23343440 LHASLEKDRCWGBE-UHFFFAOYSA-N 421.290 5.162 0 40 HKAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(C(C)(C)C)cc1 26124280 MDOPOTHEYBMJQS-UHFFFAOYSA-N 418.928 5.932 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)Nc1ccc(Br)c2cccnc12 27930379 WTEDDUUEKZHHPQ-UHFFFAOYSA-N 410.193 5.660 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@@]21C 30725695 HKHHYUSFWJROEJ-MYMLUCEJSA-N 404.679 6.584 0 40 HKAB biogenic,in-vitro Cc1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)c(Cl)c1 32116374 JDZVGGGBVHWSBS-UHFFFAOYSA-N 419.500 5.131 0 40 HKAB COc1ccccc1C(=O)Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 32623215 NFFULVHSTJOMLY-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB Cc1noc(-c2ccccc2)c1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 35671369 ZAARTCMMTNPBJJ-UHFFFAOYSA-N 411.486 6.179 0 40 HKAB O=C(Nc1ccccc1NC(=O)c1ccccc1F)Nc1ccccc1C(F)(F)F 36709635 DYSHLUDMSMZFAG-UHFFFAOYSA-N 417.362 5.741 0 40 HKAB COc1ccc(OCc2cccc(C)c2)c(/C=C2/N=C(c3cccc(C)c3)OC2=O)c1 41108842 QOYRVWUXJCTCLK-HZHRSRAPSA-N 413.473 5.236 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079079 PILFGGMIANMUNQ-UHFFFAOYSA-N 422.887 5.633 0 40 HKAB CCn1c(-c2ccc(Cl)cc2)nn(CN2CCc3sccc3[C@@H]2C)c1=S 57449878 FTSMLRMLVUHMPA-ZDUSSCGKSA-N 404.992 5.393 0 40 HKAB Clc1ccc(CSCCNc2nc(-c3ccncc3)nc3ccccc23)cn1 58141401 LFPDQMXWXRXBMC-UHFFFAOYSA-N 407.930 5.086 0 40 HKAB Cc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc23)c(Cl)c1 64471924 SDNMDTBQEVCIJK-UHFFFAOYSA-N 415.921 5.268 0 40 HKAB Cc1ccc(NC(=O)CSC2=NC3(CCCCCC3)Nc3ccccc32)cc1F 67341369 VYEOLZGBZQVJMA-UHFFFAOYSA-N 411.546 5.729 0 40 HKAB C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 70688037 WQLVFSAGQJTQCK-SZMJHSKPSA-N 414.630 5.714 0 40 HKAB biogenic Cc1ccc(CSc2nc3ccsc3c(=O)n2CCc2ccccc2)cc1C 71768738 DIXQFJKYVXCXOE-UHFFFAOYSA-N 406.576 5.610 0 40 HKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1Cc1ccccc1 72215210 OEMYVDDLKDVNLN-SIKLNZKXSA-N 409.574 5.959 0 40 HKAB Cc1noc([C@@H](C)Sc2nnc(-c3cc4c(s3)CC[C@H](C(C)(C)C)C4)o2)n1 84286532 RTWGTSSMGXIWBV-MFKMUULPSA-N 404.561 5.494 0 40 HKAB COc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2ncc(-c3ccccc3)s2)cc1 98212465 OZQWPSFMAJWTAU-HXUWFJFHSA-N 411.530 6.070 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1C 219265648 FHOZJOCBLRZDSY-HXUWFJFHSA-N 405.563 5.966 0 40 HKAB C[C@H](Oc1ccc(Br)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 219674259 DKOHWUOSIYQAKS-SFHVURJKSA-N 424.338 5.445 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCC(C)C 222918930 SJVRGUZYDJTDGX-JOCHJYFZSA-N 410.558 5.166 0 40 HKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCCC2 223104895 PBHISEBDJUNMPD-VWLOTQADSA-N 408.561 5.184 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C(C)C 223319792 PJGKSKZVKDCXDT-QZTJIDSGSA-N 417.977 6.042 0 40 HKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 224331753 KFUMNLZHOPDJFZ-FCHUYYIVSA-N 404.583 5.378 0 40 HKAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2Cl)cc1 224332162 ORKUNOXVMKBMDE-UHFFFAOYSA-N 419.830 5.868 0 40 HKAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)cc2)C1 224334854 LLLSAFZWTIRHFZ-FQEVSTJZSA-N 408.586 5.025 0 40 HKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C(C)C 224396520 IZPYWDOFISICQL-FGZHOGPDSA-N 408.546 5.397 0 40 HKAB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)NCc1ccnc(-c2ccco2)c1 225655662 RLYGZWMVSQOBKH-UHFFFAOYSA-N 408.807 5.263 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)c1 225660288 NPMFYMRIYVCHDT-AWEZNQCLSA-N 404.963 5.169 0 40 HKAB COc1ccccc1NC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225767864 YISWIQYCMCOUEH-UHFFFAOYSA-N 402.494 5.868 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 225829074 IDMPIKARQOZASC-PKTZIBPZSA-N 407.554 5.450 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1C(C)C 260941216 RRSWGAIHAOTNGJ-PZJWPPBQSA-N 422.613 5.850 0 40 HKAB CCCCOc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 408628226 RBTQIRAXBSVVGL-UHFFFAOYSA-N 400.478 5.604 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2cc(Cl)ccc2C)cc1 408694652 LIZFKVGLCZSTFI-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3)n2)cc1 408699689 VQWVYKYSQPVZMK-UHFFFAOYSA-N 402.885 5.402 0 40 HKAB O=C(CCCOc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 408706367 HCCHKUYEYGYRNP-UHFFFAOYSA-N 416.304 6.583 0 40 HKAB O=C(NC1CCCCC1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408724436 KJBOTIJZAVXHNN-UHFFFAOYSA-N 421.544 6.269 0 40 HKAB CC(C)(C)c1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(C(C)(C)C)c1O 409073459 NFTBPFOEWWVQLM-DEDYPNTBSA-N 424.516 5.219 0 40 HKAB Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc3ccccc23)c1 409120024 SHYOAXXLBHVJDG-UHFFFAOYSA-N 422.355 7.646 0 40 HKAB CC(C)Oc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409200475 ILSSCGHKPYUREN-RQZCQDPDSA-N 408.306 6.022 0 40 HKAB Cc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409348336 SFTSIRFXYKTTST-HHHXNRCGSA-N 404.513 6.361 0 40 HKAB CC(=O)N(Cc1[nH]c2ccccc2c1Sc1ccccc1)c1cccc2ccccc12 632335 MJAAHPJRUORIHK-UHFFFAOYSA-N 422.553 7.025 0 40 HKAB CCOc1ccc(-c2c(C)sc(NC(=O)c3cc(C)oc3C)c2C(=O)OC)cc1 649240 DJRVERYFUHESJN-UHFFFAOYSA-N 413.495 5.371 0 40 HKAB CCCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCC1)Cc1ccccc1-2 1834769 GOHDMBTXUSWLHN-UHFFFAOYSA-N 416.590 6.078 0 40 HKAB CCCCOc1ccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)cc1 2088388 MCWLRWONJNAKKM-UHFFFAOYSA-N 400.272 5.541 0 40 HKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC3)c(Cl)c2)cc1 2126360 VHKIHVGWQZKSCM-UHFFFAOYSA-N 415.990 5.365 0 40 HKAB CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 2372856 DGYUKDSGLVGPFP-ZEQRLZLVSA-N 424.529 5.213 0 40 HKAB O=C(/C=C/c1ccccc1)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 2414467 YVELEBHHXSZACD-AWNIVKPZSA-N 402.833 5.732 0 40 HKAB C[C@@H](OC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(Cl)cc1Cl 3332432 BMJHAQFNLZAJNU-SECBINFHSA-N 422.186 5.076 0 40 HKAB CCOC(=O)c1sc(NC(=O)c2ccc3ccccc3c2)nc1-c1ccccc1 4070139 QZNVZQNGJBJAOA-UHFFFAOYSA-N 402.475 5.392 0 40 HKAB O=C(Nc1ccc(C[S@](=O)c2ccccc2)cc1)c1ccc(C(F)(F)F)cc1 4090621 RDSWAIQEMQDASH-MUUNZHRXSA-N 403.425 5.266 0 40 HKAB COc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nc4ccccc4n32)cc1 4767888 APPJTHRLZBCNPD-HSZRJFAPSA-N 417.509 5.210 0 40 HKAB O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)N1CCCc2ccccc21 4925742 IRIFUXFNICRGMI-UHFFFAOYSA-N 422.554 5.115 0 40 HKAB CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccc4ccccc34)=NN12 5296416 SZKFGMWDEZPUCX-VWLOTQADSA-N 411.549 5.585 0 40 HKAB Cc1ccc(OCCOC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 5689436 LOHCNBFHXOAWDY-UHFFFAOYSA-N 405.519 5.610 0 40 HKAB Cc1ccc(NC(=O)NC[C@H]2C[C@@H](NC(=O)Nc3ccc(C)cc3C)C2(C)C)c(C)c1 5744652 COGJRLXAOHEOAO-DENIHFKCSA-N 422.573 5.278 0 40 HKAB Cc1c(C(=O)OCC(=O)N(Cc2ccccc2)Cc2ccccc2)oc2ccccc12 6547607 BODOCKRMTPJGAV-UHFFFAOYSA-N 413.473 5.127 0 40 HKAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1cc(Cl)ccc1Cl 6567099 VNLZMGKCKJHMDH-FQEVSTJZSA-N 410.304 5.584 0 40 HKAB COc1cccc(NCc2nnc(SC[C@@H]3CCCCO3)n2C2CCCCC2)c1 6820815 YFENJESVVPIJAF-FQEVSTJZSA-N 416.591 5.065 0 40 HKAB Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccc(Cl)cc3)n2C)c1 8302179 CLYYXNUHMQLARZ-UHFFFAOYSA-N 401.963 5.772 0 40 HKAB FC(F)(F)c1cc(-c2cccs2)nc2cc(-c3ccc(Cl)c(Cl)c3)nn12 8762067 DKFUDVUQOJWFKZ-UHFFFAOYSA-N 414.239 6.450 0 40 HKAB Cc1coc2c(C)c3oc(=O)c(CC(=O)Nc4ccc5[nH]ccc5c4)c(C)c3cc12 8764814 RVISDKVLNALCFF-UHFFFAOYSA-N 400.434 5.127 0 40 HKAB biogenic C[C@H](NC(=O)CN1CCC[C@H](c2nc3ccccc3s2)C1)c1cc2ccccc2o1 9051983 RAHRZHHUSUJOLR-WMZOPIPTSA-N 419.550 5.099 0 40 HKAB Cc1ccc2nc(Cl)c([C@@H]3CC(c4cccs4)=NN3C(=O)c3ccco3)cc2c1 9428216 ISTXGHVDUCHNHB-SFHVURJKSA-N 421.909 5.843 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1Cl 9850669 URSOXGNDTMDXFX-UHFFFAOYSA-N 422.868 5.726 0 40 HKAB Cc1ccc(NC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)N1C[C@H](C)C[C@@H](C)C1 9960297 HJHLKHVJUPOYPS-XMTFNYHQSA-N 400.567 5.015 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1Nc1ccc(F)cc1 12419540 CVGLWQRQRZHDFK-UHFFFAOYSA-N 418.833 5.304 0 40 HKAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)cc1 12508514 KGJOKICUUYNSNI-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCCOc1ccccc1NC(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C 12930436 MNFURWZCTVXFNZ-UHFFFAOYSA-N 407.495 5.609 0 40 HKAB COC(=O)c1cc2ccccc2cc1OCC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 12995430 IHBZNHYYRPOFGG-GOSISDBHSA-N 419.521 5.081 0 40 HKAB CCC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1c1ccco1 13128633 UQDCXBUPHRPZSX-QFIPXVFZSA-N 410.477 5.220 0 40 HKAB O=c1cc(O)nc(SCc2ccc(Cl)cc2)n1-c1ccc(Cl)c(Cl)c1 13128944 FOTWUTYFDUUQIG-UHFFFAOYSA-N 413.713 5.191 0 40 HKAB COc1cc(C(=O)N[C@@H](C)c2cc3ccccc3o2)ccc1OCc1c(C)noc1C 15040622 RJXJWTVWBPJDGB-HNNXBMFYSA-N 420.465 5.116 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(C2SCCCS2)c1 16502975 NPKKPFKLORTUCD-OAQYLSRUSA-N 424.591 5.458 0 40 HKAB O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1nc2c(Cl)cccc2s1 17092065 AIBMVVWNAZPSBS-UHFFFAOYSA-N 420.003 5.369 0 40 HKAB Cc1nccn1-c1ccc(CNC(=O)N2c3ccccc3Sc3ccccc32)cc1 20490665 OSMVUYASHCLRSY-UHFFFAOYSA-N 412.518 5.693 0 40 HKAB O=C(Cc1ccccc1)Nc1ccc2nc(SCCOc3ccccc3)sc2c1 20895089 RXKSEMIBTGKGAO-UHFFFAOYSA-N 420.559 5.649 0 40 HKAB O=C(c1ccccc1SCc1cccs1)N1CCN(Cc2cccs2)CC1 21929704 PLORVWYACWLWNW-UHFFFAOYSA-N 414.621 5.060 0 40 HKAB Cc1cccc(Cc2cnc(NC(=O)c3cc(=O)c4ccccc4o3)s2)c1Cl 26037303 KRSFLOJJQRQBFK-UHFFFAOYSA-N 410.882 5.054 0 40 HKAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)/C=C/c1ccc(Cl)cc1 26124533 STPRFAVLQJOUFW-NYYWCZLTSA-N 423.303 5.688 0 40 HKAB CCCCc1ccc(C(=O)c2c(N)c(-c3nc4ccccc4[nH]3)c3ccccn23)cc1 31848417 LENSFWFFGRIONS-UHFFFAOYSA-N 408.505 5.638 0 40 HKAB O=C(Nc1nc2ccc(OCC(F)(F)F)cc2s1)c1c(F)cccc1Cl 32561584 HHTGINJAKOHMEM-UHFFFAOYSA-N 404.772 5.282 0 40 HKAB COc1cc(O)cc2c1C(=O)O[C@@H]2CCCCC[C@@H]1CCC[C@]2(CC[C@@H](C)O2)O1 38346482 CZIMFHQXGMXDMO-DGROVODQSA-N 404.503 5.027 0 40 HKAB biogenic,in-vitro Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C)c(Cl)c2)cc1 38754335 DKPZKRNNRWQOJN-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(CSc1ccccc1Br)Nc1ccccc1SC(F)F 40034348 KHLXOWYESYSYQX-UHFFFAOYSA-N 404.301 5.495 0 40 HKAB Cc1cc(C)n(-c2nc3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3s2)n1 72229771 CVVKLMUHTLLNCW-UHFFFAOYSA-N 417.321 5.658 0 40 HKAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1ccc(Cl)c(C)c1 82086735 SNWINJZIEKTJDK-QFIPXVFZSA-N 411.933 5.151 0 40 HKAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1-c1nc(-c2ccccc2)c(C)[nH]1 95468334 MIJMVCBJCCRGSB-UHFFFAOYSA-N 416.834 6.218 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 95482412 UVOGDENFRDRHHX-INIZCTEOSA-N 422.337 5.231 0 40 HKAB CCCCC[C@H]1CC[C@H](c2ccc(C(=O)Oc3ccc(OCCCC)cc3)cc2)CC1 100003864 DDSVVIPTUMVQHZ-ZRZAMGCNSA-N 422.609 7.939 0 40 HKAB C[C@@H](NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)[C@H]1C[C@H]2CC[C@H]1C2 102133927 KGHGLAFUBMLMDN-CQIJRDABSA-N 405.478 6.706 0 40 HKAB N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1C1CCCCCCC1 102717957 FQTPBLSFWXTPPC-UHFFFAOYSA-N 401.963 6.138 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N4CCc5ccccc5C4)ncnc32)cc1 107300703 UJQCHVKWHQBCGK-UHFFFAOYSA-N 416.528 5.959 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@@]21C 118913874 HKHHYUSFWJROEJ-DZYTUMHFSA-N 404.679 6.584 0 40 HKAB biogenic,in-vitro CC(C)C[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 216158823 RCSICXHJKIEZKA-KRWDZBQOSA-N 410.739 5.385 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCS[C@@H](c2cccs2)CC1 219490982 GGVPROPSODRWDB-QGZVFWFLSA-N 418.971 5.685 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Br)cc1F 222922745 NAVBLLGMXVCYQC-SFHVURJKSA-N 408.311 5.682 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccccc1C(C)C 224562667 JOCXVHOFHNZJMQ-UHFFFAOYSA-N 409.570 6.240 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCCC1 225655291 NJFLADXXSOXPDM-UHFFFAOYSA-N 402.579 5.009 0 40 HKAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(Br)c1)CC(C)(C)O2 225672782 XVXDSZQEYPODOF-MRXNPFEDSA-N 405.361 5.346 0 40 HKAB S=C(NCCCc1cccc2ccccc12)Nc1ccc(OC2CCCC2)cc1 225809305 CWIUYRWIGRNZKU-UHFFFAOYSA-N 404.579 6.080 0 40 HKAB Cc1ccc(C(=O)OC23CC4CC(CC(C4)C2)C3)cc1-c1cc2ccccc2oc1=O 226357955 DTMGIQXYCDKDTH-UHFFFAOYSA-N 414.501 5.894 0 40 HKAB C[C@H](Sc1nnc2c(n1)[C@@]1(C)CC[C@H]2C1(C)C)C(=O)Nc1cccc2ccccc12 229798502 SSWREBXQUUEKHH-XDVIXQCFSA-N 418.566 5.319 0 40 HKAB COc1ccc(OC)c2c1[C@H](c1cccc(NC(=O)C3CC3)c1)O[C@@H]1CCCC[C@@H]21 245225997 CUDMNXSXYJGJGV-IECBHUPTSA-N 407.510 5.198 0 40 HKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](c1ccccc1)C(Cl)(Cl)Cl 245231992 NODGGCSNXDZVRD-RAIGVLPGSA-N 415.575 5.805 0 40 HKAB CC(=O)Nc1ccccc1SCC(=O)N1c2ccccc2Sc2ccccc21 408528977 YOMWMOKVODYPMH-UHFFFAOYSA-N 406.532 5.567 0 40 HKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)cc1Cl 408610326 SWHVMBXRXYTIEA-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@H]1Cc3ccccc3[C@@H]21 408995934 CBWCMMXMHXYGTQ-PCCBWWKXSA-N 420.306 5.618 0 40 HKAB CCOc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 409109560 HFLNREHYHMSWFL-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c2ccccc21 409113600 DTAFPJRTWWJZTC-BKUYFWCQSA-N 424.327 6.480 0 40 HKAB CCc1cccc2c(/C=C3\SC(=O)N(CC)C3=O)cn(Cc3ccc(Cl)cc3)c12 409133966 OEINRUQCQIGXED-NDENLUEZSA-N 424.953 5.962 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409212963 SOFMXIRVXSGFKK-NNLQFVHNSA-N 422.333 6.412 0 40 HKAB O=C1N/C(=C\c2ccccc2Sc2ccccc2)C(=O)N1c1ccc(Cl)cc1 409244798 IWTDTYASMVVRAT-RGEXLXHISA-N 406.894 5.589 0 40 HKAB Cc1sc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)nc1-c1ccccc1 997605 ASASBCLACLJUAE-LLVKDONJSA-N 407.322 5.831 0 40 HKAB Cc1ccc(C(=O)N2c3ccccc3N(Cc3ccc(Cl)cc3)C(=O)[C@@H]2C)cc1 1381910 XOGGCBYHXZUJHQ-KRWDZBQOSA-N 404.897 5.231 0 40 HKAB Nc1nc(SCc2ccccc2)c(-c2ccccc2)c(SCc2ccccc2)n1 1677177 DRWBZNMRNIMGAO-UHFFFAOYSA-N 415.587 6.310 0 40 HKAB CCC(CC)C(=O)Oc1ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)coc2c1 1775102 ICCQEIISDIQXKC-UHFFFAOYSA-N 414.885 6.197 0 40 HKAB Cc1ccc(-n2c(SC(C)C)nc3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 1793520 BCQNMURBZVOUJO-KRWDZBQOSA-N 414.596 5.353 0 40 HKAB CCCC[C@@H](CC)C(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl 2069862 ZTIQWWWARPWBEW-GOSISDBHSA-N 400.950 5.467 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 2092021 YKRMJZBCWKWMRD-UHFFFAOYSA-N 419.864 5.439 0 40 HKAB biogenic O=C(Nc1cc(Sc2ccccc2)cc(Sc2ccccc2)c1)C(F)(F)F 2096037 WIASLSUTKGYUEF-UHFFFAOYSA-N 405.466 6.490 0 40 HKAB CCn1c(NC(=O)c2ccc(C)cc2)c(-c2ccccc2Cl)c(=O)c2ccccc21 2203835 AZMNKBVOTHONBH-UHFFFAOYSA-N 416.908 5.903 0 40 HKAB Clc1cccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)c1 2251662 CHGOASAFDSNILM-UHFFFAOYSA-N 400.913 5.870 0 40 HKAB CCCNC(=O)c1c(-c2ccccc2)c2c3n(c(-c4ccc(F)cc4)cn13)CCCC2 2448703 SWQNGFBSHMJVBE-UHFFFAOYSA-N 415.512 5.690 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c(C)c1 2623994 KURJVUWGHJGDCM-UHFFFAOYSA-N 403.507 5.178 0 40 HKAB CCOc1ccc2c(c1)c1nnc(-c3ccccc3)c-1cn2Cc1ccc(OC)cc1 2691387 YOJYJHCOPJQTNV-UHFFFAOYSA-N 409.489 5.659 0 40 HKAB O=c1c2sccc2nc(SCc2ccccc2Cl)n1CCc1ccccc1 2909131 USVPXOYNYMNFKH-UHFFFAOYSA-N 412.967 5.646 0 40 HKAB CCOC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1cccc(Cl)c1 3230647 KUTQANJBNPPLRE-UHFFFAOYSA-N 421.884 5.235 0 40 HKAB O=C(COc1ccc(Nc2ccccc2)cc1)OCc1ccc(Cl)cc1Cl 3258945 BOJPEBQAZUJBFU-UHFFFAOYSA-N 402.277 5.859 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3nc4c(C)cc(C)cc4s3)c3ccccc3n2)cc1 3262466 JMVQGHFCJDTRKB-UHFFFAOYSA-N 423.541 6.689 0 40 HKAB COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1cc(C)ccc1C)c1ccccc1 3321666 NEEGVWAAPDHIGY-CJLVFECKSA-N 415.489 5.035 0 40 HKAB CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2C[C@@H]1[C@H]1C(=O)CCC(=O)[C@H]13 4029044 JPGGQHZUOUAFHK-RBCACBJKSA-N 412.570 5.060 0 40 HKAB CCCC[C@H](CC)COC(=O)C(=Cc1ccccc1)C(=O)OC[C@@H](CC)CCCC 4536802 DDRDRGWDSPDASN-VXKWHMMOSA-N 416.602 6.589 0 40 HKAB COc1cc2c(cc1NC(=S)NC(=O)c1ccc(Cl)cc1)oc1ccccc12 4624078 LGZYSCVTZREZMB-UHFFFAOYSA-N 410.882 5.375 0 40 HKAB CCc1ccc2oc(-c3ccc(NC(=O)COc4ccc(Cl)cc4C)cc3)nc2c1 4703891 FHRYDJURVXFJBA-UHFFFAOYSA-N 420.896 6.037 0 40 HKAB CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)n(Cc4ccccc4)c(=O)c23)CO1 4784827 FBMHARCHXIRPBT-QFIPXVFZSA-N 414.596 5.248 0 40 HKAB CCOc1ccccc1NC(=S)N1CCC[C@H](c2nc3cc(C)c(C)cc3[nH]2)C1 4858927 PCXINWUSMNEJAK-KRWDZBQOSA-N 408.571 5.155 0 40 HKAB CNC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CC[C@@H](C)C2 5055594 SVPPEXVPYHJRIL-MRXNPFEDSA-N 418.562 5.003 0 40 HKAB Cn1c(Sc2cc(-c3ccccc3)c3ccccc3n2)nnc1-c1ccc(F)cc1 6584230 WOQRPFDPLIBDFV-UHFFFAOYSA-N 412.493 5.988 0 40 HKAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 6615207 NKZYXGSBRJLAPE-UHFFFAOYSA-N 400.522 5.376 0 40 HKAB Cc1ccccc1-n1cccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O 6969379 TVFKILUVMYYBSN-DEDYPNTBSA-N 408.910 5.676 0 40 HKAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4)cc3)CC2=O)cc1 7882518 KBWZHTCPPVDOMA-FQEVSTJZSA-N 414.505 5.341 0 40 HKAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 7928815 DNQTVUOXDHAOCT-CQSZACIVSA-N 420.336 5.640 0 40 HKAB CC(=O)c1ccc(OCCCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 8279832 KUFHVGYJZRWCIE-HXUWFJFHSA-N 408.523 5.022 0 40 HKAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccccc1-c1nc2ccccc2s1 8325208 ZWZDCWGTOJRAFM-UHFFFAOYSA-N 416.502 5.356 0 40 HKAB Clc1ccc(COc2ccc(Br)cc2CNCc2ccncc2)cc1 8418811 OMJRKAPRZGNSCG-UHFFFAOYSA-N 417.734 5.366 0 40 HKAB c1ccc(CSc2ncc(-c3nnnn3-c3ccccc3)c(-c3ccccc3)n2)cc1 8445474 SJNFSUBGFZAUFW-UHFFFAOYSA-N 422.517 5.079 0 40 HKAB Cc1cccc(C)c1-n1nnnc1[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1 8694855 RGHUSJQJUIMTEV-FQEVSTJZSA-N 423.442 5.499 0 40 HKAB CCN(C(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc2c(C)cccc2s1 8882292 HJDOPHKDAGQPMG-UHFFFAOYSA-N 421.547 5.585 0 40 HKAB CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3cccs3)c2c1 9184255 QQDJQKBVMKDWNW-UHFFFAOYSA-N 415.470 6.082 0 40 HKAB biogenic O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1c1ccc(Cl)cc1 9295807 ZOURLWLAIXPQDO-WQRHYEAKSA-N 416.285 6.494 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccc(C)cc3)oc3ccc(Cl)cc3c2=O)cc1 9486943 PUWUOVDCCPLFLT-UHFFFAOYSA-N 419.864 5.683 0 40 HKAB Cc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)c1 9660174 FMBSIJBLEMROEP-UHFFFAOYSA-N 411.501 6.318 0 40 HKAB biogenic CN1C(=O)c2cc(NC(=O)c3ccccc3Br)ccc2Oc2ccccc21 9827814 ITVPZBKRPCUWLP-UHFFFAOYSA-N 423.266 5.084 0 40 HKAB COc1ccc(Oc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc2OC)cc1 10720692 PNQYALQVWUQFKI-UHFFFAOYSA-N 417.383 5.767 0 40 HKAB Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1ccc(-c2ccc(Br)cc2)o1 12446954 GRMVPMPHQBQXBL-SXGWCWSVSA-N 414.280 5.744 0 40 HKAB COCCCn1c(Sc2cc(C)nc3ccccc23)nnc1-c1ccccc1Cl 12527406 WPORILFGSCTADM-UHFFFAOYSA-N 424.957 5.643 0 40 HKAB Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 12563429 WEAWFUMNQFSUHW-DEOSSOPVSA-N 411.896 5.823 0 40 HKAB O=C(CSc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccnn1C1CCCC1 12601315 IVJPLBZFMHVOFB-UHFFFAOYSA-N 402.907 5.037 0 40 HKAB Clc1ccc(CSc2nnc(COc3ccccc3Cl)o2)cc1Cl 12676459 SYWOCFHXVOYYJQ-UHFFFAOYSA-N 401.702 5.901 0 40 HKAB O=C(Nc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)cc1)c1ccccc1 13011965 IWRLOOCNBXLNAB-UHFFFAOYSA-N 414.383 5.132 0 40 HKAB Cc1ccccc1OCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 13030786 AERAWMBRKOWJHH-UHFFFAOYSA-N 414.549 6.300 0 40 HKAB COc1ccc(C2=CC[C@@]3(C)[C@@H](CC[C@@H]4[C@H]3CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]43)C2)cc1 13408911 KXXIKUQRERCHIS-PMKCFLTCSA-N 422.609 6.663 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc3ccccc3c2)sc2c1CCCC2 13708523 PUMSSHOMRQLTJX-HNNXBMFYSA-N 423.534 5.363 0 40 HKAB Clc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN21 13770243 LPKKWTYOOMVCDL-AUSIDOKSSA-N 404.853 5.311 0 40 HKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 13999728 QJTFGYTXZGUNBP-AUSIDOKSSA-N 416.521 5.282 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1 14110935 OMMRBFVZMUVSIV-SFHVURJKSA-N 402.494 5.470 0 40 HKAB Cc1noc(CSc2nc(-c3ccc(Br)cc3)nc3ccccc23)n1 14246804 XBKPLDKTYZOCNA-UHFFFAOYSA-N 413.300 5.043 0 40 HKAB C[C@H]1CCc2c(sc3c2[C@@H](c2ccc(OCc4ccc(F)cc4)cc2)CC(=O)N3)C1 15085282 XAYQSZHVKYOPMO-YCRPNKLZSA-N 421.537 6.065 0 40 HKAB CC[C@@H](C)[C@H](C(=O)Nc1nc2ccc(Br)cc2s1)c1ccccc1 15583640 PBUNYVUZBUNPFF-PXAZEXFGSA-N 403.345 5.827 0 40 HKAB O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)Nc1cccc(Cl)c1 15880641 VJWJJULFMVPPBE-UHFFFAOYSA-N 421.309 5.275 0 40 HKAB COc1cc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc(OC)c1OC 16213346 DASPQRDREBSEJB-UHFFFAOYSA-N 410.495 5.314 0 40 HKAB Cc1ccc(-n2cnnc2S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c(C)c1 17105984 XKAJRODAYHSQBC-AWEZNQCLSA-N 420.460 5.022 0 40 HKAB Cc1cccc(CN(Cc2ccccc2)C(=O)c2ccc(CN3CCC(C)CC3)o2)n1 19236116 HWDMKJNOQGVNRS-UHFFFAOYSA-N 417.553 5.058 0 40 HKAB CCOc1ccc(CNc2ccc([C@@H]3c4ccsc4CCN3C(C)=O)cc2)cc1 19533416 QGQVSPHEHJZFJC-XMMPIXPASA-N 406.551 5.253 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1Cl 20484860 LJAGGQXWFNIMGD-UHFFFAOYSA-N 409.869 5.348 0 40 HKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1c(C)nc2sccn12 23141505 BDVCMSPSEPQQFL-UHFFFAOYSA-N 424.382 5.582 0 40 HKAB O=C(O)c1ccc(NC(=O)c2cccc(NC(=O)c3cccc4ccccc34)c2)cc1 27298401 MBRBLZKRGFUVHD-UHFFFAOYSA-N 410.429 5.043 0 40 HKAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1nc(-c2ccco2)no1 29739283 MORKUPSZPJGFMI-ZDUSSCGKSA-N 409.515 5.276 0 40 HKAB COc1cc2sc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)nc2cc1Cl 32127487 JVGWUSRNSWBDOB-UHFFFAOYSA-N 419.289 6.124 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2ccc(C)c(C)c2)cc1 33644297 MCPSWBDKNGUSRN-UHFFFAOYSA-N 417.933 5.800 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)C(=O)c1c(-c2ccccc2)cc2ccccn12 35078147 CFANDBNQOPWLLG-UHFFFAOYSA-N 409.272 5.735 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)c2cccc(C)c2)cc1 35328677 IXGXCHUMQJYOBG-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB CCCN(C(=O)NCc1ccc(OC)cc1)[C@H](C)c1ccccc1Br 36395629 IMKRLJRCWOABLP-OAHLLOKOSA-N 405.336 5.141 0 40 HKAB Cc1ccc([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 38755314 JPTAIQZGOWVHMS-HNNXBMFYSA-N 404.348 5.311 0 40 HKAB Cc1nc(NC(=O)c2ccc(O[C@@H](C)c3ccccc3)nc2)sc1-c1ccccn1 40132453 RMVBFRYEPVCQPM-INIZCTEOSA-N 416.506 5.301 0 40 HKAB CCOc1ccc2nc(S[C@@H](C(=O)NC3CCCC3)c3ccccc3)sc2c1 40487546 LFHSTCLMZABLJX-HXUWFJFHSA-N 412.580 5.587 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2cccc3ccccc23)[nH]n1 44838022 BDYYJGLFOHEMHS-UHFFFAOYSA-N 419.484 6.061 0 40 HKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 44873279 WFMWFWHDFWCDKY-QGZVFWFLSA-N 402.991 5.123 0 40 HKAB Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1cc(Cl)ccc1F 67297079 CKCJSOMYCPPIIZ-VYIQYICTSA-N 406.844 6.018 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2C)c(C)c1 67297281 OHXQDPFQLNGLGL-FVDSYPCUSA-N 416.908 6.496 0 40 HKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1Cc1ccccc1 72215207 OEMYVDDLKDVNLN-KNQAVFIVSA-N 409.574 5.959 0 40 HKAB COc1cccc(C(=O)N2CCC[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)c1 72353805 WMJJBHFPILYESS-QHCPKHFHSA-N 400.522 5.009 0 40 HKAB CCC[C@H](NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1)c1ccc(F)cc1F 79102285 VZQORUVQPJFPSO-FQEVSTJZSA-N 414.452 5.219 0 40 HKAB O=C(c1ccc(-n2cccc2)cc1)[C@@H](C(=O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2 100117568 RBLRFWJHRWQNQJ-SXYIGIQMSA-N 415.455 5.624 0 40 HKAB Cc1ccc(Nc2c(S(=O)(=O)c3ccc(C)cc3)cnc3ccc(F)cc23)cc1 101165804 OUXIYVRRLLPMFW-UHFFFAOYSA-N 406.482 5.567 0 40 HKAB Cc1cccc([C@@H]2CC3=Nc4nc(C)nn4[C@H](c4cc(F)cc(F)c4)C3=C(O)C2)c1 102681076 UECYRFZKKOZGIK-IVZQSRNASA-N 406.436 5.238 0 40 HKAB C[C@]12CC3CC(CC(=O)Nc4ccc(C(=O)c5cccs5)cc4)(C1)C[C@](C)(C3)C2 104084094 WHPZEYUVPOXVOA-JNHGRPLXSA-N 407.579 6.304 0 40 HKAB CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)NC(=O)c1ccccc1C 107796985 ZMPFTVZAAKVHOI-HNNXBMFYSA-N 414.962 5.043 0 40 HKAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1Cl 108172643 JPAXBBHTLLDBKF-UHFFFAOYSA-N 424.305 5.595 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(CN2CCCc3ccccc32)cc1 216289782 ZWZDWRBEVJGWLS-UHFFFAOYSA-N 411.332 6.199 0 40 HKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 222981550 UKWIFHVSWAUHQH-DEOSSOPVSA-N 405.563 6.392 0 40 HKAB Cc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1C 223505237 MMGVAIZWICAGPE-SFHVURJKSA-N 416.968 5.494 0 40 HKAB O=C(NCCOc1cccc2ccccc12)c1ccccc1SCc1ccccc1 223535221 HGACZUZVUKHTMX-UHFFFAOYSA-N 413.542 5.941 0 40 HKAB Cc1ccc(C)c(OCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 224031250 TZDCZHNCONFEFQ-UHFFFAOYSA-N 409.913 5.345 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1ccccc1C 224100520 XMYZGGWNKBQZCV-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224158637 XTLHYQFMEUYORJ-DNQXCXABSA-N 410.546 5.358 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccccc1Cl 224477395 MUNREVDZEWLXMW-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COCc1ccccc1 224747593 GETJESOBUYPPFN-UHFFFAOYSA-N 409.913 6.016 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(C(C)=O)c3)o2)c1 224902067 ZJXSOGNBZYBDBO-UHFFFAOYSA-N 412.445 5.472 0 40 HKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 225511316 GFCRNJSTDDYRHZ-DEOSSOPVSA-N 415.562 5.198 0 40 HKAB COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 225529623 HWZJDWJNRRAAFO-UHFFFAOYSA-N 408.325 5.469 0 40 HKAB S=C(Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1)NC1CCCC1 226006565 INPDCXDLXCBOJP-UHFFFAOYSA-N 406.511 5.290 0 40 HKAB COC(=O)c1ccc([C@@H]2Nc3c(Br)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 247835216 MARHLLSOLNFFJL-GYWCDFCBSA-N 412.327 5.532 0 40 HKAB CCOc1ccccc1CN1[C@H]2CC[C@H]1c1cnc3cc(-c4cccc(C)c4)nn3c1C2 248091069 MJWHENKPTXCOQS-URXFXBBRSA-N 424.548 5.365 0 40 HKAB CCOc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 253497856 SDDXAJAVPWQDGV-ZCCMWAGFSA-N 408.626 6.872 0 40 HKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260812532 FMUMRISIXVPUSY-GBXCKJPGSA-N 404.595 5.111 0 40 HKAB Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)cc1 408673767 VAGKYTAQLXNIPR-UHFFFAOYSA-N 423.472 5.566 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(Cl)cc2)c1 408700228 ZTFJHYGRILAABO-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2cccnc2)cc1-c1cccc2ccccc12 408727384 WEVXEAHKDMCPHD-UHFFFAOYSA-N 404.473 5.648 0 40 HKAB CCCc1sc(NC(=O)c2cccc(C)c2)nc1-c1ccc(Br)cc1 408835638 XSDQBYLXJFUVBO-UHFFFAOYSA-N 415.356 6.086 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1OCc1ccccc1 409101196 WGZAPCTVDXYALX-LDADJPATSA-N 417.914 5.374 0 40 HKAB CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 409119125 QTTBRJNQBMHAEX-UHFFFAOYSA-N 409.957 6.855 0 40 HKAB NC(=O)c1cccc(-c2cccc(CCCCCCN(C(=O)O)c3ccccc3)c2)c1 1529051564 JLNVHBXOCPZITI-UHFFFAOYSA-N 416.521 5.740 0 40 HKAB CCOc1ccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)cc1 904211 YHRYMHBLOIKQNL-UHFFFAOYSA-N 421.547 5.488 0 40 HKAB COc1ccc(NC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)cc1 993381 ZDVDLNQRIXWJPV-UHFFFAOYSA-N 408.910 6.186 0 40 HKAB Cc1ccc2cc(-c3nc4ccc(Cl)cn4c3NC3CCCC3)c(=O)[nH]c2c1C 1330171 MJBLADNAMGVBBU-UHFFFAOYSA-N 406.917 5.468 0 40 HKAB Cc1sc(NC(=O)C2CCC2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C 1366800 GNHXZAYEPQCWHH-UHFFFAOYSA-N 411.571 5.182 0 40 HKAB O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1c(F)cccc1Cl 1382131 TXGWCVSCZORSER-UHFFFAOYSA-N 422.674 5.539 0 40 HKAB Cc1ccc(Nc2nc3cc(C)ccc3nc2NS(=O)(=O)c2ccc(C)cc2)cc1 1431094 LWUKVSSPYKNTIB-UHFFFAOYSA-N 418.522 5.099 0 40 HKAB COc1ccc([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCCCC2)cc1 1580474 NCXSPZYKHJGFIK-DEOSSOPVSA-N 409.614 6.571 0 40 HKAB COc1ccc(-c2csc3ncn(Cc4ccc(C(C)C)cc4)c(=O)c23)cc1OC 1787574 OPNOACLRAIVHGR-UHFFFAOYSA-N 420.534 5.314 0 40 HKAB Cc1cccc2c(C(=O)OCC(=O)c3ccccc3)cc(-c3ccc(C(C)C)cc3)nc12 2079384 RFTICEQRHBVNBF-UHFFFAOYSA-N 423.512 6.373 0 40 HKAB COc1cc2c(cc1NC(=O)N1CCCC[C@@H]1c1cccnc1)oc1ccccc12 2090969 CIRRHFCOGSZELD-HXUWFJFHSA-N 401.466 5.749 0 40 HKAB biogenic COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)cc2)cc1Cl 2246402 PBNXOWPDOOEFRL-UHFFFAOYSA-N 423.827 5.717 0 40 HKAB COc1ccccc1Oc1cncnc1-c1ccc(OCc2ccccc2)cc1O 2344084 CGOPCBWAOFNWEJ-UHFFFAOYSA-N 400.434 5.229 0 40 HKAB biogenic Cc1ccc(-n2ncc3c(SCc4c(Cl)cccc4Cl)ncnc32)cc1 2446752 BJXQTWRCFKLYCI-UHFFFAOYSA-N 401.322 5.723 0 40 HKAB COc1ccc(-c2nnc3c4ccccc4n(Cc4ccc(C)cc4)cc2-3)cc1OC 2691932 BWVVDHQFMIMROS-UHFFFAOYSA-N 409.489 5.577 0 40 HKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)c3ccc(Cl)cc3)o2)c1 3243601 RYQJCJZWVNIZMB-UHFFFAOYSA-N 416.930 5.709 0 40 HKAB COc1cc(C(=O)OCc2ccc(C(C)(C)C)cc2)ccc1OCc1c(C)noc1C 3288465 QHFRMGHTOYIRMF-UHFFFAOYSA-N 423.509 5.534 0 40 HKAB Nc1ccccc1Nc1cc(-c2ccc(Br)cc2)nn1-c1ccccc1 3300709 ZZWQAKDMNBQEDN-UHFFFAOYSA-N 405.299 5.628 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 3382884 VQCNNQMVGCXJQV-DEOSSOPVSA-N 414.892 6.680 0 40 HKAB Fc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)c2ccccc12 3667544 LRVLONVVMRBYIG-UHFFFAOYSA-N 411.505 6.519 0 40 HKAB O=C(c1ccccc1)[C@H]([C@H](c1ccccc1)[C@@H]1CNc2ccccc2C1)N1CCCCC1 4522745 GUZQFFCTFIRWPU-ITHJLQSDSA-N 424.588 5.792 0 40 HKAB O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 4539684 OEIVYEOQJMZFBE-BKUYFWCQSA-N 407.828 5.403 0 40 HKAB O=C1C[C@H](c2ccc(F)cc2)Cc2nc(Nc3cccc(C(F)(F)F)c3)ncc21 4747362 IZKGJGAIHWFNRW-CYBMUJFWSA-N 401.363 5.291 0 40 HKAB Cc1ccccc1NC(=O)CSc1nnc(COc2c(C)cccc2C)n1C(C)C 4816388 BGNZAFQFOUSNAR-UHFFFAOYSA-N 424.570 5.094 0 40 HKAB COc1ccc(-c2c(NC(=O)CC(C)C)oc3c(sc4ccccc43)c2=O)cc1 5451706 BREZPFDKEYCCDA-UHFFFAOYSA-N 407.491 5.668 0 40 HKAB C[n+]1c(/C=C/c2ccc(-c3ccc(SC(F)F)cc3)o2)sc2ccccc21 5525484 BESGYAROEJWFPY-UKTHLTGXSA-N 400.495 6.471 0 40 HKAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 5579401 VTNNQXGYCDXLAT-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCOc1cc(C=O)cc(Br)c1OCc1cccc(Br)c1 5592983 LGTHPXVKOIINMC-UHFFFAOYSA-N 414.093 5.002 0 40 HKAB COc1ccc(C(C)=O)c(Oc2ncnc3scc(-c4ccc(Cl)cc4)c23)c1 6083192 KCWRMYIOWUAGMV-UHFFFAOYSA-N 410.882 6.015 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2ncnc3sccc23)c2ccccc2)c1 6115302 HTJKQZCWAMDTOT-LJQANCHMSA-N 405.548 5.780 0 40 HKAB CCOc1ccc(OCCCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 6219513 HLIBHYKBFPBGTL-UHFFFAOYSA-N 418.465 5.285 0 40 HKAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)C(c1ccccc1)c1ccccc1 6227567 WVKIKPQSVIBDPC-UHFFFAOYSA-N 411.530 5.390 0 40 HKAB Cc1cccc(-n2c(SCC(=O)c3c(C)[nH]c4ccccc34)nc3ccccc32)c1 6315318 FTSRKKJYJDVZNI-UHFFFAOYSA-N 411.530 6.099 0 40 HKAB COc1ccccc1C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 6566594 CMDDOPATKOGOHN-UHFFFAOYSA-N 403.459 5.012 0 40 HKAB CCCn1c(C)cc(C(=O)COC(=O)c2ccccc2Nc2cccc(C)c2C)c1C 6610271 KDXDHGJKBPPRGL-UHFFFAOYSA-N 418.537 5.915 0 40 HKAB O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 6616283 UCAOMCKATFHTOX-UHFFFAOYSA-N 416.590 5.677 0 40 HKAB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C2=O)c1 6967223 XWHZTIGRPVESJZ-OEAKJJBVSA-N 413.521 5.112 0 40 HKAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1 7668639 VACCPYGHUODRBP-UHFFFAOYSA-N 402.494 5.046 0 40 HKAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccc(Br)cc1Cl 7748066 UXMNDNFFDKDXNQ-UHFFFAOYSA-N 407.720 5.407 0 40 HKAB O=C(N[C@H]1CCSc2ccccc21)c1ccccc1OCCOc1ccccc1 7780497 NBDUMCGWAGJHOJ-NRFANRHFSA-N 405.519 5.111 0 40 HKAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 8041361 LKFYRHJDMAGZIP-LJQANCHMSA-N 411.885 5.937 0 40 HKAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCC(Cc2ccccc2)CC1 8076582 FTMVMODPXQFRNH-UHFFFAOYSA-N 422.532 5.029 0 40 HKAB Cc1nc(-c2ccc(CCNC(=O)c3ccc(COc4ccccc4)o3)cc2)cs1 8156702 CXOUEAFXRQRZME-UHFFFAOYSA-N 418.518 5.263 0 40 HKAB O=C(Nc1ccccc1F)c1cc2cc(Cc3ccccc3Cl)ccc2oc1=O 9239259 FELNOLFJUFFGCC-UHFFFAOYSA-N 407.828 5.429 0 40 HKAB O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1c(Cl)cccc1Cl 9663309 PHHKQOTXGGAUIL-UHFFFAOYSA-N 414.697 5.657 0 40 HKAB COc1ccccc1[C@@H](C)NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 9751915 PPXWVHNGYDGRLT-QGZVFWFLSA-N 413.473 5.268 0 40 HKAB Cc1cc(C)cc(OCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667407 ZMLQXUQLBPXYKZ-IBGZPJMESA-N 417.509 5.206 0 40 HKAB Cc1cccc(C)c1OCCCCn1c(CNC(=O)c2ccco2)nc2ccccc21 12539292 SOEPBTMDDNOJJQ-UHFFFAOYSA-N 417.509 5.035 0 40 HKAB C[C@@H]1C[C@H](OC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)C(=O)O1 12595787 HDLDVWWHTXLDSY-NSYGIPOTSA-N 423.468 5.430 0 40 HKAB CCOc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCc1ccc(Cl)cc1 13532865 CTHGXRYFGGTATG-UHFFFAOYSA-N 423.900 5.099 0 40 HKAB O=C1C[C@@H](c2c(F)cccc2Cl)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15082797 VPBMTMNTDWWLBB-NSHDSACASA-N 419.836 5.519 0 40 HKAB Fc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3cc(Cl)cc(Cl)c3)n2)cc1 17082129 KCWBQBOPZVIOPA-UHFFFAOYSA-N 401.243 6.791 0 40 HKAB Cc1ccc(N/C=C2/C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)cc1C 18054273 WCFNLXCERIDSJU-XSFVSMFZSA-N 402.881 5.597 0 40 HKAB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccccc2)cc1 19324616 UCRCKXHQNNHFBL-UHFFFAOYSA-N 402.538 5.111 0 40 HKAB Cc1ccc(COc2cccc(C(=S)N3CCN(Cc4ccccc4)CC3)c2)cc1 19842666 WDBCLUWJNVMNGT-UHFFFAOYSA-N 416.590 5.067 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccccc3C(C)C)ccc21 20456663 CFHSKANPNJLSTI-GOSISDBHSA-N 400.522 6.344 0 40 HKAB C[C@@H](CNC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 21905870 AFSNHCDHBLMUDE-MBSDFSHPSA-N 420.940 5.121 0 40 HKAB O=C(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)c1cccc(C(F)(F)F)c1 28574406 FHTZKDQTKAPJBF-UHFFFAOYSA-N 413.321 5.221 0 40 HKAB Oc1ccccc1-c1nc(/C=C/c2ccccc2)nc(Nc2nc3ccccc3[nH]2)n1 30947680 RAIWPUFHCQTMOA-CCEZHUSRSA-N 406.449 5.035 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)cc1 32735935 APJIUPQGHFYOMG-UHFFFAOYSA-N 414.552 5.099 0 40 HKAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 32802905 RQMRHUPZMCKPDN-QWHCGFSZSA-N 423.460 5.477 0 40 HKAB CCOc1ccc(-c2noc(CSc3ccc(-c4ccc(C)c(C)c4)nn3)n2)cc1 33022101 UYPDPFQNWDBDIH-UHFFFAOYSA-N 418.522 5.501 0 40 HKAB COc1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(-c4ccccc4)c3n2)cc1OC 36616858 QGHLGPADRAUSMA-UHFFFAOYSA-N 421.447 5.920 0 40 HKAB Cn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nc2cc(Cl)ccc21 48333997 MKXGZQMCESDMHK-UHFFFAOYSA-N 400.718 5.264 0 40 HKAB C[C@@H](N[C@@H](c1ccccc1)c1cccs1)C(=O)Nc1ccc(Br)cc1 57508737 FUKZBLFDOFKNIJ-KUHUBIRLSA-N 415.356 5.217 0 40 HKAB Cc1cccc(COc2ccc(/C=C3\C(=O)Nc4cc(C(F)(F)F)ccc43)cc2)c1 59186111 MLDCFYGMRXVNSH-MTJSOVHGSA-N 409.407 6.086 0 40 HKAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(Cc1ccccc1F)CO2 61997629 ZGHDWEZYKOIUFR-UHFFFAOYSA-N 401.437 5.260 0 40 HKAB biogenic O=C(Nc1cccc(Br)c1)c1scc(-c2ccccc2)c1-n1cccc1 64872234 JWXUKEVDDAVPIZ-UHFFFAOYSA-N 423.335 6.221 0 40 HKAB C[C@@H]1CCCCN1c1cc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1N 72229422 UQWNJKKUYGCWQG-LLVKDONJSA-N 412.748 5.860 0 40 HKAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cccc2c(Cl)cccc12 72229887 QZSMQRNPWCNBCU-QHCPKHFHSA-N 422.311 6.481 0 40 HKAB FC(F)(F)[C@H]1CCCN(Cc2cccc(CN3CCC[C@@H](C(F)(F)F)C3)c2)C1 84367282 UHKBAYYJWFEDTL-HDICACEKSA-N 408.430 5.235 0 40 HKAB COc1cc2nc(SCc3cccnc3)n(C3CCCCCC3)c(=N)c2cc1OC 100330658 SXKDOCFYKVGXQD-UHFFFAOYSA-N 424.570 5.116 0 40 HKAB O=C(COc1ccc(CNc2cccc(Cl)c2)cc1Cl)Nc1ccccc1 107754732 JTOLWPRNNSRUBL-UHFFFAOYSA-N 401.293 5.623 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 219390622 CLSGNDANHHWNFC-INIZCTEOSA-N 422.337 5.231 0 40 HKAB Cc1cccc(-c2noc(CN(C)C(=O)CCCSc3ccc(Cl)cc3)n2)c1 222697066 LIVZKZDSKRQTIP-UHFFFAOYSA-N 415.946 5.229 0 40 HKAB CCCCc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 222784094 QSYYLSFAXIUCKJ-XLNRJJMWSA-N 404.535 5.500 0 40 HKAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2c(C)cc(C)cc2C)cc1 223544613 ZXGPVZLPBSTWLG-STZFKDTASA-N 420.534 5.092 0 40 HKAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccccc1CCc1ccccc1 223705890 GAGHGVAIGNXLTR-UHFFFAOYSA-N 401.550 5.578 0 40 HKAB C[C@H](CNC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccccc1 224251995 VPDSKXOSAXLTEU-OAHLLOKOSA-N 404.348 5.045 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)NCc1cccc(C(F)(F)F)c1 224346608 MZRXQHYIPYNRAP-UHFFFAOYSA-N 408.272 5.562 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(CN2CCCC2)c1 224625091 UEYCJRSQTDHCFV-OAQYLSRUSA-N 402.991 5.123 0 40 HKAB Cc1ccc(C)c(C(=O)Nc2nnc(SCc3c(F)cccc3Cl)s2)c1 225054893 FPOWHUOSCXVNJV-UHFFFAOYSA-N 407.923 5.492 0 40 HKAB Cc1cc(C)c(C)c(O[C@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)O)c1 225134362 HJTDFJMUKVYVGU-HSZRJFAPSA-N 410.897 6.132 0 40 HKAB COc1cccc(-c2noc(CCC(=O)Nc3ccccc3Oc3ccccc3)n2)c1 225825106 MHJSLMLTFDKXCY-UHFFFAOYSA-N 415.449 5.109 0 40 HKAB S=C(Nc1ccc2c(c1)OCO2)NC1(CCc2ccccc2Cl)CCCC1 225852371 LSJCFASKIUHOMF-UHFFFAOYSA-N 402.947 5.301 0 40 HKAB O=C(Nc1ccc2sncc2c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 225906908 WZLVNYAEBZVUBT-CQSZACIVSA-N 420.365 5.454 0 40 HKAB COc1ccc(-c2ncc(C(=O)Nc3cccc(-c4csc(C)n4)c3)c(C)n2)cc1 226096237 KAKZFHUFXIPIQS-UHFFFAOYSA-N 416.506 5.145 0 40 HKAB CCOc1cc(C(=O)OC)cc(Br)c1OCc1cccc2ccccc12 226325261 WFOGTUVKXFIZRG-UHFFFAOYSA-N 415.283 5.367 0 40 HKAB CCn1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(=O)c2ccccc21 408713115 KSIXPRZDFWTVNE-UHFFFAOYSA-N 418.880 5.719 0 40 HKAB Fc1ccccc1CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1 409014605 NGXIQPLTGVIOQK-UHFFFAOYSA-N 413.301 5.819 0 40 HKAB CCCOc1c(I)cc(CNc2cccc(C)c2)cc1OC 409117536 NMPBDUBWWKQLKI-UHFFFAOYSA-N 411.283 5.009 0 40 HKAB Fc1ccccc1COc1ccc(CNc2ccccc2Cl)cc1Br 409177814 HRWXZLUKUQTHNM-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1ccccc1-c1cccc(Cl)c1F 1772714660 FQVDCPLHZQCRRV-AWEZNQCLSA-N 407.869 5.057 0 40 HKAB CC(C)c1ccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)cc1 648975 KCRIIWVJAZAXSZ-UHFFFAOYSA-N 406.436 5.710 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1I 670453 QZUCBINDXQMAMI-UHFFFAOYSA-N 415.230 5.336 0 40 HKAB Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1I 675397 AEMMRXLXXLKEBQ-UHFFFAOYSA-N 406.050 5.159 0 40 HKAB Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2C(F)(F)F)C3=O)cc1C 992810 MJFXQAYMHKTVPD-UHFFFAOYSA-N 411.379 5.915 0 40 HKAB COc1ccc(CNCC[C@@H](c2ccc(OC(C)C)cc2)c2ccccc2OC)cc1 1813014 GHCVIPZFNLGPME-VWLOTQADSA-N 419.565 5.803 0 40 HKAB COc1ccc(-c2cc(OC(=O)c3ccc(Cl)cc3)cc3sc(=O)oc23)cc1 2185828 GBUUYKODHVWJPQ-UHFFFAOYSA-N 412.850 5.403 0 40 HKAB CCCCCCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21 2323190 ZTVMACSRQWIIMC-UHFFFAOYSA-N 402.498 5.104 0 40 HKAB COc1ccc2c(-c3ccccc3)c(-c3ccc(Br)cc3)c(=O)oc2c1 2576841 HDOJVDIHLDYHNS-UHFFFAOYSA-N 407.263 5.898 0 40 HKAB biogenic CCCCc1ccc(N[C@@H](CC(=O)c2ccc(OC)cc2)c2ccc(Cl)cc2)cc1 3112399 WRWVREYJSDCDAZ-VWLOTQADSA-N 421.968 7.117 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(F)cc2F)c2c(-c3ccccc3)cc(=O)oc2c1 3227576 RVLXDJWOZWGJGD-UHFFFAOYSA-N 421.399 5.064 0 40 HKAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCC1 3319827 QOOBALYSFKEPFP-HZPDHXFCSA-N 416.566 5.081 0 40 HKAB Cc1ccc(N2C(=O)C[C@@H](C(=O)NCc3ccc(Cl)cc3)[C@@H]2c2cccs2)cc1 3437989 DJWAHKMPKKTARQ-DENIHFKCSA-N 424.953 5.121 0 40 HKAB CCCCc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)ns2)cc1 4167530 RBKJPJUWRNBUNJ-UHFFFAOYSA-N 413.568 5.287 0 40 HKAB O=C1Nc2ccccc2/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1 4689283 SYXCEZSRSJFXNO-MOSHPQCFSA-N 406.279 5.521 0 40 HKAB COc1cc2c(cc1NC(=O)/C=C/c1ccc(OC)c(OC)c1)oc1ccccc12 4722261 FMBLYYWRRDDHJN-PKNBQFBNSA-N 403.434 5.264 0 40 HKAB FC(F)(F)c1cc(-c2ccccc2)nc(N2CCN(c3cccc(Cl)c3)CC2)n1 4734317 MLACDPYTLQZYQR-UHFFFAOYSA-N 418.850 5.142 0 40 HKAB c1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCCCCCCCCCC2)cc1 4765621 FGNQUIREIUMBEP-RUZDIDTESA-N 402.582 7.231 0 40 HKAB CC(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 4812309 RNFZNORCPIBXNF-LMSSTIIKSA-N 418.540 7.206 0 40 HKAB CC1=CC(C)(C)N(C(=O)CSc2ccc(-c3ccccc3)nn2)c2cc(C)ccc21 4966303 FPHFDVKJVLDAHX-UHFFFAOYSA-N 415.562 5.773 0 40 HKAB O=C(CCc1ccccc1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 5142046 OILOMYWKIYAGQP-UHFFFAOYSA-N 407.926 5.511 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccc(Cl)cc3)oc3ccccc3c2=O)cc1 5322348 ZJJUEVGSKDIQON-UHFFFAOYSA-N 405.837 5.374 0 40 HKAB O=C(/C=C/c1cccc(Cl)c1)O[C@H]1CCCCCN1C(=O)c1ccc(F)cc1 5752898 JJYQTNWWXUKJPX-BNCSFYMNSA-N 401.865 5.078 0 40 HKAB Cc1ccc(NC(=O)CCSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 6029998 LSVVSEFGKRDRQZ-UHFFFAOYSA-N 417.456 5.592 0 40 HKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)NCCC1=CCCCC1 6230046 AANRMEYAICTTAO-UHFFFAOYSA-N 421.541 5.535 0 40 HKAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cccnc1Cl 6345198 BBEMXPHDMQIIJB-UHFFFAOYSA-N 411.244 5.414 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(C)cc4)c3)nc2c1 6440208 BXHQPFVUECYBSX-GOSISDBHSA-N 414.505 6.334 0 40 HKAB COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 6545086 FCJGZCIZQIPULT-UHFFFAOYSA-N 405.498 5.298 0 40 HKAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 6615845 ZUQINAVPMAYSCN-CCEZHUSRSA-N 415.543 5.490 0 40 HKAB Cc1cc(OCC(=O)OCc2cc(Cl)c3c(c2)OCCCO3)ccc1C(C)C 7781853 ZRNGTQAVSZSQGY-UHFFFAOYSA-N 404.890 5.055 0 40 HKAB O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)[C@@H]1CCCN1C(=O)c1cccs1 8132757 JDBBARGYKYINBA-IBGZPJMESA-N 416.502 5.405 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccccc2)cc1 8917308 KDYLSSRGIUJNJS-UHFFFAOYSA-N 417.896 5.762 0 40 HKAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3cccc(Cl)c3)c2c1 9445960 BKPDGZPYLVJEOP-UHFFFAOYSA-N 421.327 7.023 0 40 HKAB Cc1cc(NC(=O)[C@H](Sc2nc(C)c(-c3ccccc3)[nH]2)c2ccccc2)no1 9668770 UGZBKZDKOVCDHW-HXUWFJFHSA-N 404.495 5.154 0 40 HKAB O=C(O)[C@@H](Sc1nnc(-c2ccc(Cl)cc2)c2ccccc12)c1ccccc1 12176780 BLVVEIDQZUTZEL-FQEVSTJZSA-N 406.894 5.868 0 40 HKAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2)o1 12761790 IMDDVSKHCGQHKI-UHFFFAOYSA-N 417.896 5.638 0 40 HKAB CCC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C[C@H]1c1ccco1 13128642 XFLQLCGPKSNHNP-QHCPKHFHSA-N 424.504 5.528 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNc4ccc(F)cc4)cc23)cc1 13564704 NUMXAXXFGKEJPG-UHFFFAOYSA-N 424.479 5.440 0 40 HKAB COc1cccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cccc(C)c2)c1 13644763 KIPFVPNSTMUCSZ-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 14664088 NQSXLAQAGCEWBV-GOSISDBHSA-N 402.494 5.217 0 40 HKAB CC(C)c1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(C(F)(F)F)cc3)c2)cc1 15883259 CQYVAZODUHKINI-UHFFFAOYSA-N 414.427 5.291 0 40 HKAB CC(=O)c1ccc2c(c1)N(C(=S)Nc1ccc(Cl)cc1)c1ccccc1S2 16321990 AQWIYRTVMDZDJB-UHFFFAOYSA-N 410.951 6.542 0 40 HKAB CCn1c2ccccc2c2ccc(NC(=O)c3oc4c(c3C)[C@H](O)CC(C)(C)C4)cc21 16756770 WEJASCITBBKMDR-OAQYLSRUSA-N 416.521 5.974 0 40 HKAB Oc1cc(Cc2ccccc2)nc2c(-c3ccccc3)c(COc3ccccc3)nn12 17028371 XHNWMJCYPKBJDQ-UHFFFAOYSA-N 407.473 5.272 0 40 HKAB CCc1c(-c2ccc(OC)cc2)nn(Cc2ccccc2C)c1-c1ccc(OC)cc1 17089290 FPKIBYUTZVPSBU-UHFFFAOYSA-N 412.533 6.153 0 40 HKAB CCCCCOC(=O)c1cccc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)c1 18244979 FMWOIJKYVCOUMP-PTUXOGIPSA-N 419.521 5.107 0 40 HKAB CC1CCN(Cc2ccc(C(=O)NCCSCc3cccc(Cl)c3)cc2)CC1 20493350 IQGCDSUIBXTJLS-UHFFFAOYSA-N 417.018 5.235 0 40 HKAB O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 20503192 NUEWBOYMFXLQKW-FUHWJXTLSA-N 418.587 5.411 0 40 HKAB biogenic,in-vitro COc1cccc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)c1 21579479 KWNGLAWWAVJWGV-UHFFFAOYSA-N 408.841 5.174 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1Sc1ccccc1 22534070 HILGGWWDSVAUIK-HXUWFJFHSA-N 413.995 7.001 0 40 HKAB COc1ccc([C@H]2SCCN2C(=O)Nc2cc(C)ccc2C)cc1Br 28232335 HOTDDAVHNGIXHJ-GOSISDBHSA-N 421.360 5.354 0 40 HKAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cc2c(s1)CCCCCC2 36391621 YPUIELGLMGSBKI-UHFFFAOYSA-N 403.498 5.424 0 40 HKAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(OCCSc2ccccc2)cc1 44884779 TUDBPWVQMFGBOR-DEOSSOPVSA-N 403.547 5.665 0 40 HKAB CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)c1 46078598 ULMUVLHZLBDFTC-UHFFFAOYSA-N 412.489 5.043 0 40 HKAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 59268034 UISANLNQNTULME-UHFFFAOYSA-N 424.309 5.173 0 40 HKAB O=C(NCc1nc(-c2cccs2)no1)c1ccc(CSc2ccccc2)cc1 65778549 BPAZAUSKMPDYEX-UHFFFAOYSA-N 407.520 5.020 0 40 HKAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1F 67294629 MMUMZCDKQZZHMS-VYIQYICTSA-N 422.843 5.719 0 40 HKAB Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1Cl 72332617 GTFQQYYEOOREKG-PXNSSMCTSA-N 401.318 6.297 0 40 HKAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 72356095 ZGBPBYUYWSFFGT-OAQYLSRUSA-N 405.929 5.049 0 40 HKAB Cc1cnc(Nc2cccc([C@@H]3CCCN3C(=O)CCOc3ccccc3C)n2)s1 72375620 VGDZMYWBHCNBMO-IBGZPJMESA-N 422.554 5.031 0 40 HKAB C[C@H]1CC2=Nc3ccccc3N(C(=O)c3ccc(F)cc3)[C@@H](c3ccco3)C2=C(O)C1 102602389 ZKDVTHHTAVANNE-OWJWWREXSA-N 416.452 6.135 0 40 HKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(CNC(=O)[C@]5(C)CC5(Cl)Cl)(C4)C2)C3)cc1C 103134383 YZMIMWHIZYRODV-FTHFGKAQSA-N 420.424 5.842 0 40 HKAB Cc1c([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n(-c2ccccc2)c1C 222854471 VSMVKGVIPWHDOQ-PKTZIBPZSA-N 404.583 5.178 0 40 HKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CC1 223375270 CKLYRWMLFRGDBJ-GOTSBHOMSA-N 402.567 5.008 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)c1 224242196 HVAFRFQFLBLOEI-ZEQRLZLVSA-N 410.546 5.358 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccc(C)c(C)c1 224289960 UKVFOPTZCBCHNV-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 224356669 RASJOMUPTFPQGN-WOJBJXKFSA-N 413.999 6.097 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCc2cccc3ccccc23)c1 225808970 VDUNLWCCXGNHTB-UHFFFAOYSA-N 412.942 5.199 0 40 HKAB NC(=O)c1c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)sc2c1CCCCC2 408573027 LEJBBNCDOVXDQO-WYMLVPIESA-N 406.507 5.028 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cc(Br)ccc1OCc1ccccc1 408585604 GHMQQWFOEYNLPG-UHFFFAOYSA-N 416.702 5.934 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]21)c1ccccc1 408625491 YJKWSURSJGMESX-IONDEXAJSA-N 410.300 5.389 0 40 HKAB COc1ccccc1NC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1 408668758 FDEDDTUVWRFDCW-UHFFFAOYSA-N 422.484 5.926 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2cccc(F)c2)nc1-c1cccc(Cl)c1 408697876 MDWSWMKPBBHLNK-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccccc2C)cc1 408727291 VPMZVORCMPMTJX-UHFFFAOYSA-N 401.897 6.062 0 40 HKAB Cc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1C 408766715 FKVGXHVHWVDZFG-VWLOTQADSA-N 416.546 5.330 0 40 HKAB COC(=O)c1ccc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)c(C)c1 408816042 KGWNTLIKRBUNEZ-MOSHPQCFSA-N 419.458 5.283 0 40 HKAB Cc1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 409063224 IXVZFHSQYLORAI-UHFFFAOYSA-N 412.533 5.461 0 40 HKAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccccc1OCc1cccc(F)c1 409079093 KEVPSGOHGCUSQZ-QNGOZBTKSA-N 424.541 5.137 0 40 HKAB CCCc1sc(NC(=O)CC[C@H](O)c2ccccc2)nc1-c1cc(C)ccc1C 409193086 BMHGBDMJLALOKB-FQEVSTJZSA-N 408.567 5.832 0 40 HKAB c1ccc(C[C@H]2COC(C3(C4=N[C@@H](Cc5ccccc5)CO4)CCCCCC3)=N2)cc1 1988179738 KPMUHTRNYHTFPA-ZEQRLZLVSA-N 416.565 5.407 0 40 HKAB O=C(c1ccccc1)c1ccc2c3c(cccc13)C(=O)N(c1ccc(Cl)cc1)C2=O 834474 OPINBEXMYCEENT-UHFFFAOYSA-N 411.844 5.525 0 40 HKAB Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12 877980 OIPRKMCEMFNWDL-UHFFFAOYSA-N 403.482 5.475 0 40 HKAB O=C(CSc1ncc(-c2ccc(F)cc2)n1C1CCCC1)N1CCc2ccccc21 1339944 DHUVHTRPYMQMDO-UHFFFAOYSA-N 421.541 5.486 0 40 HKAB CC(C)CN(C(=O)COc1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)s1 1345505 FOUUOCUNSJHUHK-UHFFFAOYSA-N 419.909 5.066 0 40 HKAB O=C(CSc1ncnc2c(-c3ccc(F)cc3)nsc12)c1ccc(Cl)cc1 1358676 LIZYJPZURIKWHG-UHFFFAOYSA-N 415.902 5.521 0 40 HKAB Oc1c(Cl)cc(Cl)c(Cc2c(Cl)cc(Cl)c(O)c2Cl)c1Cl 1599445 ORLFPYAPIUHUAQ-UHFFFAOYSA-N 406.907 6.609 0 40 HKAB O=C(Oc1ccc2ccccc2c1)c1cc(Br)ccc1Br 2061752 OXISFCRRDXAXEQ-UHFFFAOYSA-N 406.073 5.584 0 40 HKAB CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3ccc(C)cc3)cc2oc1=O 2438399 BMSKEBBGCHVJJV-UHFFFAOYSA-N 414.885 5.138 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@H]2C)c(C)c1 2634033 USTXWGKJQFIOGU-DYESRHJHSA-N 420.582 5.683 0 40 HKAB Cc1c(OCc2c(Cl)cccc2Cl)c(=O)ccn1Cc1ccc(Cl)cc1 3128599 UWFRYJVETHYZQS-UHFFFAOYSA-N 408.712 5.744 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cccc(Oc2ccccc2)c1 3217227 XEDMLLKREQTFTK-UHFFFAOYSA-N 424.382 5.331 0 40 HKAB O=C(c1ccc(C(F)(F)F)cc1)c1c(-c2ccc(Cl)cc2)nc2ccccn12 3264318 FPEFICLAFCALEQ-UHFFFAOYSA-N 400.787 5.905 0 40 HKAB Cc1ccc(-c2c(C(=O)Nc3ccc(F)cc3)c(C)nc3sc4c(c23)CCC4)cc1 3342396 YVBFHNNHWFAKDP-UHFFFAOYSA-N 416.521 6.460 0 40 HKAB O=C(c1cccc(C(F)(F)F)c1)n1cc(-c2ccc(Cl)nn2)c2ccccc21 4050676 XESKMVGXAROVLV-UHFFFAOYSA-N 401.775 5.459 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2c(F)cccc2Cl)N3)C1 4554606 PUQUNKIYDIGFPG-BBATYDOGSA-N 406.954 6.511 0 40 HKAB Cc1c(NC(=O)c2cccc(Br)c2)cccc1-c1nc2ccccc2o1 4600405 JTRLYUJFJOVPFU-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB O=C1CCN(C(=O)COc2ccc(Cl)cc2Cl)c2cc3ccccc3cc21 4785148 VIQUMUOJMWFPRX-UHFFFAOYSA-N 400.261 5.145 0 40 HKAB CC[C@H](C)c1ccc(-n2c(N)c(C(=O)N[C@H](C)CC)c3nc4ccccc4nc32)cc1 5029622 XAPCDZZNFJYILS-JKSUJKDBSA-N 415.541 5.198 0 40 HKAB CCOc1cc(CNCc2cccnc2)ccc1OCc1ccc(Cl)cc1Cl 6870258 DORZBHLXBJGPBQ-UHFFFAOYSA-N 417.336 5.656 0 40 HKAB COc1ccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1Cl 7604347 BYPBCRFWCYPCNA-UHFFFAOYSA-N 404.853 5.090 0 40 HKAB CCc1ccc(C(=O)C[C@@H](Nc2ccc(F)cc2)c2ccc(C(C)(C)C)cc2)cc1 8783310 VJZLRSSIMPGPAQ-RUZDIDTESA-N 403.541 7.112 0 40 HKAB CCCCCNc1nc(SC)nc2c1sc1nc(-c3ccco3)c3c(c12)CCC3 9232650 QOOMFYIFAFVWHR-UHFFFAOYSA-N 424.595 6.312 0 40 HKAB Fc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)n3c(nc4ccccc43)N2)cc1 9291360 QNVLQJZPGKNICT-PZJWPPBQSA-N 422.301 6.084 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](N[C@H](C)c1ccc2ccccc2c1)c1ccccc1 12932739 CBSQTUYDDBIKQY-HRFSGMKKSA-N 424.544 6.187 0 40 HKAB Brc1ccc(-c2ccc(CNCc3ccccc3)o2)c(Br)c1 13730602 VSEQUJNMLVKWQQ-UHFFFAOYSA-N 421.132 5.761 0 40 HKAB Fc1cc(F)c([C@@H]2SCCN2C(=S)Nc2cccc(C(F)(F)F)c2)c(F)c1 13865094 CLVLFDRKMMENFL-HNNXBMFYSA-N 422.419 5.567 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(F)c(F)c3F)cc12 15003022 IPARRHWXDSIVDS-UHFFFAOYSA-N 405.376 5.204 0 40 HKAB O=c1c2ccccc2nc(SCCOc2ccccc2Cl)n1-c1ccccc1 15228131 VEWUEPNGMDBYDO-UHFFFAOYSA-N 408.910 5.210 0 40 HKAB CCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)c1 16693199 JRLZCXDAQIQBLJ-UHFFFAOYSA-N 404.491 5.623 0 40 HKAB CCOc1ccc([C@@H](CNC(=O)c2ccccc2)c2c[nH]c3ccccc23)cc1OC 18136627 UVCVDKPRUSJHPG-OAQYLSRUSA-N 414.505 5.137 0 40 HKAB CC(C)C(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)ncc2-c2ccncc2)CC1 19085215 XGSNSRXDDRHPSC-UHFFFAOYSA-N 420.944 5.221 0 40 HKAB Cc1noc(C)c1CC(=O)Nc1nc(-c2cccs2)c(-c2cccs2)s1 19622946 GZTHXZFHPWFDBE-UHFFFAOYSA-N 401.538 5.386 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(OCCSc2ccccc2)cc1 20044632 ZFPWCRBBJUVDQG-UHFFFAOYSA-N 417.452 6.129 0 40 HKAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(-c2cccc(Cl)c2Cl)o1 20429029 HUJAHKCECDQEON-UHFFFAOYSA-N 410.640 5.857 0 40 HKAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(CN2CCc3ccccc32)cc1 20492776 KLJJTDQPDADOSM-UHFFFAOYSA-N 411.332 5.486 0 40 HKAB O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccc(Cl)cc1)c1ccccn1 20737383 KMZQHEZYQVVNDT-UHFFFAOYSA-N 422.937 5.400 0 40 HKAB CCc1ccc(NC(=O)COc2cccc3ccc(N4CCC[C@H](C)C4)nc23)cc1 22714728 LGAYWUPVGMOIMN-SFHVURJKSA-N 403.526 5.051 0 40 HKAB Cc1c(-c2ccccc2)oc2c(C(=O)N(C)Cc3ccc(F)cc3F)cccc2c1=O 22895407 KYCIVHBYNSCYIN-UHFFFAOYSA-N 419.427 5.319 0 40 HKAB CN(C)[C@@H](CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccsc1 25329387 WLYFGOQMYYWVTG-INIZCTEOSA-N 408.445 5.060 0 40 HKAB COc1ccc(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC(F)F 29720692 IGLIAXILIJPKHF-VIFPVBQESA-N 405.228 5.043 0 40 HKAB Cc1cccc(C(=O)Nc2c(C)nn(COc3cccc(C(F)(F)F)c3)c2C)c1 32610195 RQMTTYACQDBSCV-UHFFFAOYSA-N 403.404 5.116 0 40 HKAB Cc1ccc(-c2nnc([C@@H](C)NC[C@H](c3ccccc3)c3c[nH]c4ccccc34)o2)cc1 32739731 XYFRCCKMMPMNHM-AUSIDOKSSA-N 422.532 6.009 0 40 HKAB Cc1cc(C(=O)Nc2ccccc2C(C)C)cc2c1N(C)S(=O)(=O)c1ccccc1-2 33272038 QIGUFQKRMFMPFU-UHFFFAOYSA-N 420.534 5.176 0 40 HKAB Cc1cccc(NC(=S)N(CCc2nc3ccccc3[nH]2)Cc2ccc(F)cc2)c1 35290198 CRHOTQYRUQAHCB-UHFFFAOYSA-N 418.541 5.452 0 40 HKAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(Nc2nccc(-c3ccco3)n2)n1 36614205 ALKYOABCTOHOSQ-UHFFFAOYSA-N 417.778 5.609 0 40 HKAB O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38848644 PWAWRSINHIRKPX-MRXNPFEDSA-N 411.760 5.175 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38850664 OEPXIBYIWBDZGB-JOCHJYFZSA-N 418.512 5.255 0 40 HKAB CC[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(C)cc1C 44856723 WXWRYKBGUHYHQD-MHZLTWQESA-N 412.577 5.743 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 44880821 FXPGNKPICYPCRR-HSZRJFAPSA-N 422.956 5.308 0 40 HKAB Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 44905832 USLWULMKJMQILI-KRWDZBQOSA-N 419.396 5.700 0 40 HKAB CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 57774983 FGHGDRZIFBGWMV-FQEVSTJZSA-N 417.513 5.354 0 40 HKAB C[C@H]1CCC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@]12C 59200452 KVSNMTUIMXZPLU-XOZXFAFYSA-N 412.746 9.278 0 40 HKAB in-vitro NC(=O)c1ccc(-c2nc(CSc3nc4cc(Cl)ccc4s3)cs2)cc1 64652462 JFVYLPRWIYYQFR-UHFFFAOYSA-N 417.968 5.464 0 40 HKAB O=C(NCc1cccc(C(F)(F)F)c1)NCc1cc(-c2cccc(Cl)c2)no1 66089192 ILFHNZWRLJIBPU-UHFFFAOYSA-N 409.795 5.013 0 40 HKAB Brc1cccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c1 72333534 DHANRIGDSZNQSJ-UHFFFAOYSA-N 415.360 5.083 0 40 HKAB O=C(c1ccccn1)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72357851 LEFHLSSHMHBCDI-NRFANRHFSA-N 411.427 5.064 0 40 HKAB CC(=O)Nc1ccc(CN2CCC[C@@H](c3cncc(-c4cccc(Cl)c4)n3)C2)cc1 72359722 FTAXIIBXSLIIBK-HXUWFJFHSA-N 420.944 5.135 0 40 HKAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1cnc(C)s1 72370701 WYKWYCMITUIUPB-MRXNPFEDSA-N 413.612 5.013 0 40 HKAB CCOc1ccc2ccccc2c1C(=O)NCc1ccc([C@H](O)c2cccs2)s1 90613641 ONUYTJPBTNRMOW-JOCHJYFZSA-N 423.559 5.373 0 40 HKAB COc1cccc2cc(/C=C(\Cl)c3nnc(C(=O)Nc4ccccc4)s3)oc12 96947725 KHXOQDMYCGMHLR-PTNGSMBKSA-N 411.870 5.282 0 40 HKAB O=C1S/C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1Cc1ccccc1 206213459 PRPOSGLNYLCCBD-PXLXIMEGSA-N 401.487 5.502 0 40 HKAB O=C(O)/C(=C/c1ccccc1OCc1ccccc1)Sc1nc2ccccc2o1 211501332 AQKPGBYCYXUFDS-STZFKDTASA-N 403.459 5.625 0 40 HKAB Cc1ccc(Sc2ccc(/C=C(\Sc3nc4ccccc4o3)C(=O)O)o2)cc1 211506689 SHWXFDJVIVNNCM-PDGQHHTCSA-N 409.488 6.098 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 219686316 FNEOXNGXXKYCLA-YWZLYKJASA-N 420.347 5.129 0 40 HKAB COc1ccc(/C=C(/C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c2ccccc2)cc1 222907023 CHBPDCVIIDMAMO-QZCBGFPPSA-N 411.545 5.992 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)NCc1cccc(C(F)(F)F)c1 223285996 HRUORKAAGHKFKG-UHFFFAOYSA-N 408.272 5.562 0 40 HKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1C1CCCC1 224162259 NYTKMNWRCWESJN-ZEQRLZLVSA-N 416.594 5.792 0 40 HKAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)oc1ccccc12 224179777 OAQYQFZRHNGFTE-UHFFFAOYSA-N 406.290 5.835 0 40 HKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3C)c2)cc1 224278832 FXLCIKFJXGOKAN-UHFFFAOYSA-N 405.494 5.460 0 40 HKAB S=C(NCCSc1ccccc1)Nc1ccc(Br)c(Cl)c1 225284707 MCCZLLACYJDXDA-UHFFFAOYSA-N 401.782 5.181 0 40 HKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1ccc(Cl)cc1 225339357 SYTAAFXXBDTZDY-MRXNPFEDSA-N 403.975 5.036 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCCCC4)cc3)CCCC2)cc1 225513026 BUGOGYGMCGNXJA-UHFFFAOYSA-N 420.597 5.700 0 40 HKAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(Br)c1)CC(C)(C)O2 225672755 XVXDSZQEYPODOF-INIZCTEOSA-N 405.361 5.346 0 40 HKAB CCCO[C@@]1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OCC)c2)CCC[C@@H](C)C1 225854211 QYDMAFWGCGQNJD-YTZAWJCFSA-N 419.562 5.355 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1 408625830 FUDCLNQALQLKGG-UHFFFAOYSA-N 405.885 6.093 0 40 HKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cccc(C(C)=O)c4)o3)S2)cc1 408767554 MMEHQAUOKDSHKK-YMSBRDKKSA-N 418.518 5.311 0 40 HKAB Cc1ccc(NC(=O)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 408980795 XRRBUDIUBLCNEM-UHFFFAOYSA-N 408.465 5.572 0 40 HKAB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(Cl)cc3Cl)n2C)cc1 409197022 UBNSVGVVOFFUKY-ATJXCDBQSA-N 421.349 5.509 0 40 HKAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)C1(c2cccs2)CCCC1 606440566 CHPLXMQIBZXQHS-AWEZNQCLSA-N 403.594 5.200 0 40 HKAB Cc1cnc(Nc2cccc(CC3CCN(Cc4ccc(Cl)nc4)CC3)n2)s1 2037846570 RIGSICXBLYZKQV-UHFFFAOYSA-N 413.978 5.093 0 40 HKAB Cc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2cccc4ccccc24)C3=O)cc1 825462 PDTPSCZKFUCVKD-UHFFFAOYSA-N 407.425 5.168 0 40 HKAB Cc1cc2nc(-c3ccc(SCC(=O)Nc4cccc(F)c4)nc3)[nH]c2cc1C 1329703 IZFQJRVSGOCBCD-UHFFFAOYSA-N 406.486 5.112 0 40 HKAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)Nc3ccccc3F)c(=O)[nH]c12 1378209 BZJOLVLCPITUMS-UHFFFAOYSA-N 415.468 5.210 0 40 HKAB O=C(Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCCC2)c1ccccc1 2062098 BXLBWVMENNRRQG-UHFFFAOYSA-N 424.953 6.175 0 40 HKAB CCCCSc1nnc2n(-c3ccccc3C)c(=O)c3c4c(sc3n12)CCCC4 2304216 DCZKGKVDDZLIFG-UHFFFAOYSA-N 424.595 5.174 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(c1nc(C)c(C)s1)C3=O 2439331 KMNHTJNOEQLIQU-LJQANCHMSA-N 420.465 5.064 0 40 HKAB C/C=C/c1ccc(OCC(=O)OCc2csc(Nc3ccc(C)cc3)n2)c(OC)c1 2652888 QPFFYMQSRLDWGN-SNAWJCMRSA-N 424.522 5.359 0 40 HKAB C[C@H]1C[C@H](C)CN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C1 2714605 CCCAKUMDNMGWBG-ROUUACIJSA-N 416.956 6.223 0 40 HKAB Cc1sc(-c2ccc(Cl)cc2)nc1OC(=O)Nc1cccc(C(F)(F)F)c1 3116667 SAWZMFZBHUNOGB-UHFFFAOYSA-N 412.820 6.402 0 40 HKAB FC(F)(F)c1cccc(-c2cnc(SCc3ccc(Cl)c(Cl)c3)nc2)c1 3134283 VQJHRHAOIXUSPL-UHFFFAOYSA-N 415.267 6.762 0 40 HKAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(Oc2ccccc2)cc1 3205597 BOAIXVGCLLSGJT-UHFFFAOYSA-N 405.457 6.275 0 40 HKAB COc1cccc(/C=C(/C(=O)OCC(=O)Nc2c(C)cccc2C)c2ccccc2)c1 3321848 SFBKRPOKZJGVTL-XQNSMLJCSA-N 415.489 5.035 0 40 HKAB O=C(C1c2ccccc2Oc2ccccc21)N1CCN=C1SCc1ccccc1 4119843 KMHNRAFPQQRHQG-UHFFFAOYSA-N 400.503 5.056 0 40 HKAB CSc1ccc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCCO3)cc1 4733642 GLXAGUUWOUOTBV-UHFFFAOYSA-N 403.507 5.546 0 40 HKAB O=C(Nc1cccc2ccccc12)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 4902464 DJNLYMIZTLXQQX-UHFFFAOYSA-N 408.888 6.961 0 40 HKAB Cc1cc(C)cc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)[nH]2)c1 4952356 DRSPFFLBVVRYQL-UHFFFAOYSA-N 416.344 5.187 0 40 HKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccccc2F)n(C2CCCC2)c1C 5020265 PWSCADTYJBIUBA-UHFFFAOYSA-N 416.500 6.155 0 40 HKAB Cc1ccc(-c2c(NC(=O)c3ccccc3Cl)sc3ccccc3c2=O)cc1 5303744 YBCZLPHDFXMKQV-UHFFFAOYSA-N 405.906 6.143 0 40 HKAB COc1ccc(NC(=O)c2ccc(CSc3nc4ccc(C)cc4[nH]3)cc2)cc1 5490818 LCRMBVRHCORKFL-UHFFFAOYSA-N 403.507 5.425 0 40 HKAB O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)Nc1ccc2c(c1)CCC2 5866550 HTMXQNUFPIZMDO-UHFFFAOYSA-N 422.554 5.263 0 40 HKAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(C)c(-c4ccc(Cl)cc4)c3n2)cc1 6727526 RXUDNKMOMZJEQS-UHFFFAOYSA-N 401.819 6.352 0 40 HKAB N#C/C(=C/c1ccc(N2CCCCC2)c(F)c1)C(=O)Nc1cccc(C(F)(F)F)c1 6970143 RWAUZSNHDTVHMK-WJDWOHSUSA-N 417.406 5.380 0 40 HKAB COc1ccc(CN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)C2CC2)cc1 7116225 SRVYFWRXZNBNFD-UHFFFAOYSA-N 404.491 5.370 0 40 HKAB Cc1cccc(NC(=O)c2ccccc2NC(=O)c2nc(-c3ccccc3)oc2C)c1 7989112 SWUQYUJNPBUSJX-UHFFFAOYSA-N 411.461 5.463 0 40 HKAB C[C@H]1C(=O)Nc2ccc(-c3csc(-c4ccc(NC(=O)c5ccco5)cc4)n3)cc21 8185281 ZWTBSLZEHRZFAU-CYBMUJFWSA-N 415.474 5.378 0 40 HKAB COC(=O)c1ccc(CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@@H]2C)cc1 8887081 RBDPAUROVNOQKO-OXJNMPFZSA-N 422.554 5.170 0 40 HKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 8903723 VQWPYDZOIWVKIH-CQSZACIVSA-N 412.511 5.291 0 40 HKAB COc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccc(Cl)cc2)cc1O 9160519 KWJKEISGCHODDV-UHFFFAOYSA-N 422.868 5.816 0 40 HKAB COc1ccc(-c2cc(NC(=O)Cc3coc4cc(OC)ccc34)ccc2OC)cc1 9377434 OFUPCEIGKJYZTG-UHFFFAOYSA-N 417.461 5.307 0 40 HKAB Cc1cc(CSc2nnc(COc3ccccc3Cl)n2-c2ccccc2)on1 9608315 ASGYOOCUVYDXIR-UHFFFAOYSA-N 412.902 5.088 0 40 HKAB CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 10333205 MERXDZKIVWIPEA-UHFFFAOYSA-N 418.562 5.761 0 40 HKAB Cc1cc(N2CCCC2)ccc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 11571684 FSFKWDDKELTRIE-UHFFFAOYSA-N 423.520 5.095 0 40 HKAB COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)/C=C/c2ccccc2)cc1 12420647 DVTCVHHMJPHVPH-NDMUKNDCSA-N 408.501 5.364 0 40 HKAB biogenic,in-vitro Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCc1csc(-c2ccc(F)cc2)n1 12883249 SKBRYIZSVUPHAR-UHFFFAOYSA-N 421.497 5.168 0 40 HKAB C[C@@H](NC(=O)c1ccccc1SCc1cscn1)c1ccc(Cl)cc1Cl 12900433 IQGNFULDLLWMAB-GFCCVEGCSA-N 423.390 6.233 0 40 HKAB COc1ccc(CN(C)Cn2nc(Nc3ccccc3Cl)sc2=S)cc1 12914971 UQHPQWVLEGWOJB-UHFFFAOYSA-N 406.964 5.169 0 40 HKAB CCCOc1ccccc1NC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 12918156 HTGHCGNLHXKLSK-UHFFFAOYSA-N 413.477 5.753 0 40 HKAB COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCc1ccc(Cl)cc1 13924899 HEZFVFIFJNLFBH-MOSHPQCFSA-N 419.864 5.272 0 40 HKAB O=C(Nc1ccc2c(c1)OCCCO2)c1nc(Cl)c(Cl)c(Cl)c1Cl 14386413 JLZQAXALNQXGKF-UHFFFAOYSA-N 408.068 5.109 0 40 HKAB c1cncc(-c2nc(NCCc3cccc4cccnc34)c3c4c(sc3n2)CCC4)c1 14855673 GTAIFTDNKMETNL-UHFFFAOYSA-N 423.545 5.445 0 40 HKAB COc1ccc(-c2cc(OC(=O)/C=C/c3ccccc3)cc3sc(=O)oc23)cc1 16742522 OWCPAGWDHVWHGD-KPKJPENVSA-N 404.443 5.149 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccc(C)cc3Cl)nc2c1 17093300 JFHFOZDEFUWZAO-UHFFFAOYSA-N 422.868 5.726 0 40 HKAB COc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OCc1ccccc1F 19120552 OQZSIFVLVSIPGY-WMZHIEFXSA-N 424.516 5.211 0 40 HKAB Cc1cnccc1CN1CCCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 19239524 ACSWXBHGBURFQX-YSIASYRMSA-N 421.511 5.257 0 40 HKAB CCN(CC)Cc1ccccc1CNC(=O)c1ccccc1SCc1ccsc1 21961000 NEMDEGSIUAIUBE-UHFFFAOYSA-N 424.635 5.812 0 40 HKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NC(c1ccccc1)c1ccccc1 22246095 NCTAETVXHAFFNF-UHFFFAOYSA-N 417.509 5.854 0 40 HKAB CC(C)Oc1ccc(C(=O)NC[C@H](c2ccsc2)N2CCc3ccccc3C2)cc1 22766003 JUMYVZFBQVUZJH-XMMPIXPASA-N 420.578 5.065 0 40 HKAB Cc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cccc(C)c2C)cc1 27526357 NKSGNYWQPKZUOQ-UHFFFAOYSA-N 403.530 5.168 0 40 HKAB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 29509354 DXLOYWFXRWOOIU-UHFFFAOYSA-N 406.429 5.855 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 33659669 GWMDHLQQKFRGJM-UHFFFAOYSA-N 404.510 5.196 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccccc1OCc1cccc(F)c1 33707791 HWZFYJQGEMVWPF-NRFANRHFSA-N 424.497 5.173 0 40 HKAB CC(C)(C)N1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 35039533 BZYMYIOQQIFPNJ-LDADJPATSA-N 417.983 5.919 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)/C=C/c1ccc(OCc2ccccn2)cc1 40079845 GQGWEGIREGWNKJ-DTQAZKPQSA-N 424.504 5.115 0 40 HKAB Cc1cccc(C)c1NC(=O)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21 40306245 MMOHPBMVGOQTPZ-UHFFFAOYSA-N 403.913 5.536 0 40 HKAB CSc1ccc(CN2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2cccc(F)c2)cc1 40486034 WIJPPYFHDVUFGJ-QHCPKHFHSA-N 419.521 5.909 0 40 HKAB Cc1ccccc1-c1nc(-c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)no1 40488358 QVRSQIWQHAUPKR-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB C[C@@H](NC(=O)c1cccc(OCc2cccnc2)c1)c1ccc(C(F)(F)F)cc1 48363116 VHZXEOFWYWZBRO-OAHLLOKOSA-N 400.400 5.170 0 40 HKAB CCCn1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c(=O)c2cc(F)ccc21 49001972 ZAAHEBDGEDIGKF-UHFFFAOYSA-N 417.362 5.286 0 40 HKAB O=C(CSc1ccc(-c2cccc(Br)c2)nn1)c1ccc(Cl)cc1 57486350 NHBNGWUFDJXEBG-UHFFFAOYSA-N 419.731 5.535 0 40 HKAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 59500409 KTMHJJMYAHSILV-ZQFKLAOWSA-N 413.904 5.301 0 40 HKAB biogenic Cc1ccc(-c2nc(C(=O)Nc3ccc(C(=O)N4CCCC[C@H]4C)cc3C)cs2)o1 65475590 WJQJOHJATSQRSZ-OAHLLOKOSA-N 423.538 5.287 0 40 HKAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3cc[nH]c3c2)C12CCCC2 72324847 LGCOGIPCKJPRBP-UZUQRXQVSA-N 415.537 5.457 0 40 HKAB biogenic O=C(CCCc1ccccc1)N1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 72359160 GMPRJDWCZDWMSO-HXUWFJFHSA-N 403.501 5.012 0 40 HKAB COc1ccc(-c2csc3ncnc(NCc4ncoc4-c4ccccc4)c23)cc1 79061645 SYTZYFUSSMHBKP-UHFFFAOYSA-N 414.490 5.634 0 40 HKAB Brc1cccc(-c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)c1 80346408 QFNRFYSGJKAGFB-UHFFFAOYSA-N 415.360 5.083 0 40 HKAB Fc1ccc(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 107036607 LZBNZBVJVDIZSX-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB CS[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118932473 CSDNFDRMMGNTCT-QWDJEJJDSA-N 416.759 8.759 0 40 HKAB CCCC[C@H](O)c1cc(=O)oc2c(C(=O)[C@H](C)CC)c(O)c(CC=C(C)C)c(O)c12 211003490 SHDUHTPASIJRFI-PBHICJAKSA-N 416.514 5.165 0 40 HKAB biogenic,in-vitro CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)c(C)c1 222979129 CQEOXIWYYVVEPE-XZOQPEGZSA-N 404.583 5.262 0 40 HKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 223787426 KSQRRJINMAQLOQ-VXKWHMMOSA-N 406.555 5.040 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1cccc(OC)c1 224588399 RYJJSPBBCGKRBW-UHFFFAOYSA-N 413.420 5.203 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccc2ccccc2c1 224640527 LBXCQMGVRKFEOU-UHFFFAOYSA-N 415.464 6.209 0 40 HKAB COC(=O)c1cc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1Cl 225406534 MVQKCSQTUSKCEN-CYBMUJFWSA-N 404.963 5.472 0 40 HKAB Cc1cccc(CSCCCNC(=S)Nc2ccc(OC3CCCC3)cc2)c1 225604872 LSGXFPUBKXGBMC-UHFFFAOYSA-N 414.640 5.926 0 40 HKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)C(C)C 225760776 VSQCINVKMCSPOL-DEOSSOPVSA-N 420.647 6.971 0 40 HKAB CCc1ccc2oc(-c3cc(Br)c[n+](Cc4ccc(F)cc4)c3)nc2c1 226308385 LDNSIJCHDMWFOG-UHFFFAOYSA-N 412.282 5.295 0 40 HKAB COc1cccc(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c1 257245917 IRQRYKDCDAKNHL-JOCHJYFZSA-N 424.928 5.224 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 408556757 LIVWXTXVTIAIOK-UHFFFAOYSA-N 412.892 5.671 0 40 HKAB Cc1ccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c(C)c1 408585914 KDHPLYDOIBWSJI-UHFFFAOYSA-N 410.311 5.897 0 40 HKAB O=C(O)c1cccc(NCc2c(OCc3cccc(F)c3)ccc3ccccc23)c1 408609220 MIEIVKFMAXCXNL-UHFFFAOYSA-N 401.437 5.868 0 40 HKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)S2)cc1 408779461 FCHWYQCWXWRUGD-VZIOXZNFSA-N 424.953 6.070 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1/C=C1\N=C(C23CC4CC(CC(C4)C2)C3)OC1=O 408976886 UQBABMSZCUBCOI-JJFYIABZSA-N 401.510 5.002 0 40 HKAB CCCOc1c(Cl)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OCC 409113696 FYLYOXXZKCVZIT-UHFFFAOYSA-N 411.929 6.932 0 40 HKAB Clc1ccc(COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2)cc1 409120660 RQMOZNMFMQCOHR-UHFFFAOYSA-N 415.920 7.323 0 40 HKAB O=C(NCCc1ccccc1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409136836 VWGDBASJKRRHRG-VHFNBEQNSA-N 422.572 5.956 0 40 HKAB Cc1cc(C(=O)N2N=C3CC[C@H](C(C)(C)C)C[C@@H]3[C@]2(O)C(F)(F)F)ccc1Cl 409181846 FWDQYUPAZGEPHW-NJSLBKSFSA-N 416.871 5.174 0 40 HKAB Fc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 409198317 CHPSHYYSZIHSKA-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc(F)cc1 409198478 GMFMMZLDYMNRID-RWEWTDSWSA-N 422.912 5.954 0 40 HKAB COCCCN1C(=O)S/C(=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)C1=O 409237027 UYEUAACGFZNLOY-HYARGMPZSA-N 420.534 5.071 0 40 HKAB CC(=O)c1ccc(Oc2ccc(C(=O)N3C[C@H](C)O[C@@H](c4ccsc4)C3)cc2)cc1 534810210 PLYHIXKKNOQLAS-QMHKHESXSA-N 421.518 5.345 0 40 HKAB O=C(N[C@@H](c1ccsc1)c1cccs1)c1cc(Br)ccc1Cl 575414876 MQHSPAAKPCCVOA-HNNXBMFYSA-N 412.761 5.745 0 40 HKAB CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@H](Cc3cccc(Cl)c3)[C@@H](C(=O)O)C[C@H]21 2037853954 MRLVRFUUWKMORY-CUDHKJQZSA-N 421.320 5.554 0 40 HKAB Cc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccc(Cl)cc2)c1 1409678 HSWVNRJGGJNIAQ-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)N(c2ccccc2)C3=O)cc1 1413238 INRHULGQWZLFJT-XMMPIXPASA-N 413.452 5.364 0 40 HKAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(Nc2ccccc2)cc1 1912396 GOEAYEGFUUBESS-UHFFFAOYSA-N 411.505 6.516 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(OC(F)(F)F)cc1 2143971 XAMKBBSXZMPZLG-UHFFFAOYSA-N 410.244 5.764 0 40 HKAB CCCCSc1nnc(-c2cccc(NC(=O)c3cccc4ccccc34)c2)n1C 2189480 ZUDOBVNKIRTUIB-UHFFFAOYSA-N 416.550 5.780 0 40 HKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)c(Cl)c2)cc1 2257891 MJJAXVGJJFXXRG-UHFFFAOYSA-N 405.288 6.251 0 40 HKAB CCCCSc1c(Cc2ccccc2)c(C)nc2c(-c3ccccc3)c(C)nn12 2372701 GPUMIKSUOVWBAK-UHFFFAOYSA-N 401.579 6.496 0 40 HKAB O=c1cc(-c2ccc(Cl)cc2)oc2ccc(OCc3c(F)cccc3Cl)cc12 2888808 NSKVEOPOHYFYER-UHFFFAOYSA-N 415.247 6.485 0 40 HKAB Fc1cccc(CSc2nc(Nc3ccc4c(c3)OCO4)c3ccccc3n2)c1 2948909 ZDDHKWYJQPQCHQ-UHFFFAOYSA-N 405.454 5.534 0 40 HKAB Cc1ccc(C)c(NC(=S)/C(=C(\O)c2ccc(C(C)(C)C)cc2)[n+]2ccccc2)c1 3301260 MGULYASYBHLAMH-UHFFFAOYSA-O 417.598 6.212 0 40 HKAB CCCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1OC 3353992 LTALPKAMGLPHIV-UHFFFAOYSA-N 412.511 5.177 0 40 HKAB O=C(Oc1ccc(Cl)cc1Br)c1ccccc1Nc1ccc(F)cc1 3419953 FZIKOBYOJDZVQZ-UHFFFAOYSA-N 420.665 6.204 0 40 HKAB Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2SC/C=C/Cl)c(C)c1 3456541 TVMZFURXFRBMFI-AWNIVKPZSA-N 419.981 6.473 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@H](C)Oc2ccccc2F)cc1 3655470 CNKHRLIIPWQRJS-INIZCTEOSA-N 417.436 5.517 0 40 HKAB O=C(Nc1cccc2ccccc12)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2 4150890 VVCUKSODGVGSKT-UHFFFAOYSA-N 418.440 5.533 0 40 HKAB CC(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CCCC2)cc1 4240710 RFNNOJLJOBVIQL-XMMPIXPASA-N 422.569 5.588 0 40 HKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCC(C)CC2)o1 4424273 RJPRHORQMGYRJC-JKPXSAOISA-N 415.331 5.800 0 40 HKAB CN(C)CCN(C(=O)c1ccc(-c2ccccc2)cc1)c1nc2ccccc2s1 4585265 IKSHSXQPNIPTEU-UHFFFAOYSA-N 401.535 5.172 0 40 HKAB O=C(Cc1c(Cl)cccc1Cl)Nc1c(-c2ccccc2)nc2sccn12 5264388 GCVFMZFBRVAHOD-UHFFFAOYSA-N 402.306 5.551 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccc(Cl)cc1 5500047 DHXRDHMATGYCEF-UHFFFAOYSA-N 414.962 5.473 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1 5529989 HHSXYDOROIURIP-NDQHRKBISA-N 420.593 6.063 0 40 HKAB in-vitro O=C(CCCCCCCCCCC(=O)c1cc(O)ccc1O)c1cc(O)ccc1O 5943961 NVMNPLXEDWXTBH-UHFFFAOYSA-N 414.498 5.476 0 40 HKAB C[C@@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 6036395 WVXOMPRLWLXFAP-DDMWTQRYSA-N 416.646 6.453 0 40 HKAB endogenous,in-man O=C1/C(=C/Nc2cccc(Cl)c2)c2ccccc2C(=O)N1c1cccc(Cl)c1 6455147 LGXCLPIOOJQPQI-DEDYPNTBSA-N 409.272 5.633 0 40 HKAB CC(C)(C)CC(C)(C)NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 6857333 FGJNKRCQNJVGOV-UHFFFAOYSA-N 410.001 7.377 0 40 HKAB CCc1cccc2c(C(=O)[C@H](Sc3nnc(C4CC4)n3C)c3ccccc3)c[nH]c12 7235469 GONBQINKVHJFLY-JOCHJYFZSA-N 416.550 5.453 0 40 HKAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1C1CC1 7618197 RLDBVOOSVRDQJB-HNNXBMFYSA-N 408.527 5.087 0 40 HKAB CCCn1c(C)cc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c1C 7844031 DUZHVMHEEOGGNP-UHFFFAOYSA-N 414.600 5.069 0 40 HKAB O=C(Nc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 8432194 ISEZPNRDDFVIEZ-UHFFFAOYSA-N 422.509 6.382 0 40 HKAB Cc1ccc(C(=O)Cn2nc(COc3ccc(Cl)cc3Cl)oc2=S)cc1 8549930 MPXKFYVYNWDXID-UHFFFAOYSA-N 409.294 5.283 0 40 HKAB O[C@@]1(C(F)(F)F)CC(c2ccccc2)=NN1c1nc(-c2ccc(Cl)cc2)cs1 8711472 COGJSVVRDWFSNI-GOSISDBHSA-N 423.847 5.329 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 8903025 GRPVLZRGPGRCLB-UHFFFAOYSA-N 400.478 5.944 0 40 HKAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3ccc(Cl)c(Cl)c3)n2)cc1 9462449 VKLVVRBHQOPNGK-UHFFFAOYSA-N 420.321 5.257 0 40 HKAB CCOc1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccccc4F)cc3o2)cc1 9660303 DBFGTHFREYGZEI-UHFFFAOYSA-N 403.409 5.250 0 40 HKAB biogenic CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 9791845 TZSOREWBSYZZCW-LJQANCHMSA-N 408.951 5.102 0 40 HKAB O=C(Nc1nc2ccccc2[nH]1)c1oc2ccccc2c1CSCc1ccccc1 12542038 CMXIIMXCYYTPGP-UHFFFAOYSA-N 413.502 5.995 0 40 HKAB Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@@H](c1ccccn1)O2 13036344 PFDRBBULTUZYRC-VQIMIIECSA-N 412.312 5.148 0 40 HKAB Cc1ccc(Sc2ccc(NC(=O)CN[C@H](C)c3cccc(Cl)c3)cc2)c(C)c1 13040177 IOVWWSUCVXEIIH-GOSISDBHSA-N 424.997 6.397 0 40 HKAB CC(C)c1ccc(Nc2nn(CN(C)Cc3ccc(Cl)cc3)c(=S)s2)cc1 13071492 CEHCLCKXNMFTBD-UHFFFAOYSA-N 419.019 6.284 0 40 HKAB CCCCCCSc1nc(C)nc2c1sc1nc3c(cc12)COC(C)(C)C3 13282011 RRBCFVFPHDRSHU-UHFFFAOYSA-N 401.601 6.072 0 40 HKAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 13684773 YRYGYYLHNFOZOH-UHFFFAOYSA-N 402.494 5.046 0 40 HKAB CCOc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1OC 14429877 BCAAUZUIFAAWFP-UHFFFAOYSA-N 418.209 5.128 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(OC(F)F)cc1 15993227 CWKCGTAOCIUUDN-UHFFFAOYSA-N 405.832 5.055 0 40 HKAB Cc1cc(Nc2cccc(Cl)c2C)n2nc(C34CC5CC(CC(C5)C3)C4)nc2n1 16283412 ZDRABXUNXQORRY-UHFFFAOYSA-N 407.949 5.606 0 40 HKAB Cc1cc(NC(=O)Cc2ccc(Cl)cc2)n(-c2nc(-c3cccs3)cs2)n1 17012030 NJCKLAIDOLOTPP-UHFFFAOYSA-N 414.943 5.200 0 40 HKAB Cc1cc(NC(=O)c2c(F)cccc2Cl)n(-c2nc(-c3cccs3)cs2)n1 17012045 UMIXPRCNOGYVNV-UHFFFAOYSA-N 418.906 5.411 0 40 HKAB CCc1ccc(-c2cc(C(=O)NCc3ccccn3)c3cc(Cl)ccc3n2)cc1 17082302 FCWSZCFVAQKUDX-UHFFFAOYSA-N 401.897 5.443 0 40 HKAB CCCCCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 17270040 PTMBKXYQDJGNJA-UHFFFAOYSA-N 423.506 5.735 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(N4CCOCC4)cc3)c3ccccc3n2)cc1 18217609 FZLCRMLELRZPGP-UHFFFAOYSA-N 423.516 5.299 0 40 HKAB N=c1n(CCOc2ccc3ccccc3c2)c2ccccc2n1Cc1ccccc1F 19900324 QNNJGZWDLFIKCQ-UHFFFAOYSA-N 411.480 5.342 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl 20144660 YUDDKCIKJXBKAO-SSDOTTSWSA-N 423.079 5.404 0 40 HKAB O=C(Nc1ccc(CSc2ncn[nH]2)cc1)c1sc2ccccc2c1Cl 20611334 HQQMQFDROORFPR-UHFFFAOYSA-N 400.916 5.217 0 40 HKAB CCn1cc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)c(=O)c2ccccc21 22234495 WZWUHOKHDDLLSZ-UHFFFAOYSA-N 409.489 5.402 0 40 HKAB Cc1c(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)oc2c1ccc1ccccc12 23102874 QBBZWOCWJYGQQD-INIZCTEOSA-N 412.489 5.734 0 40 HKAB COc1ccc(-c2csc(-c3nnn(-c4cccc(Cl)c4)c3C)n2)cc1OC 23126673 BSIXMWIYUMAQMK-UHFFFAOYSA-N 412.902 5.037 0 40 HKAB Brc1ccc(COc2ccccc2/C=C/c2ccc3ccccc3n2)cc1 24522671 CNKKCEAAGMQVOH-FOWTUZBSSA-N 416.318 6.747 0 40 HKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc2c(s1)-c1ccccc1CC2 25276740 BFYIWCFHFCIIGY-UHFFFAOYSA-N 419.506 5.209 0 40 HKAB CC(C)c1cc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2n1 32095441 MOXIRFIJSANRGB-UHFFFAOYSA-N 408.929 5.135 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1sc2nc(C(F)(F)F)cc(C)c2c1N 32117761 WOAMDQVMNRPNLV-UHFFFAOYSA-N 415.824 5.120 0 40 HKAB Cc1cccc(NC(=O)COc2cccc(-c3noc(-c4ccc(Cl)cc4)n3)c2)c1 33327311 LKUZOUNGHHFAQS-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB Cc1ccc(N2C(=O)/C(=C/c3sc(Cl)nc3Cl)c3ccccc3C2=O)cc1 33415407 PQIJHZKODQAEPY-XNTDXEJSSA-N 415.301 5.486 0 40 HKAB Cc1nc(C)c(C(=O)N(Cc2ccccn2)c2nc3c(Cl)cccc3s2)s1 36691778 PUGSYDHMFJZECB-UHFFFAOYSA-N 414.943 5.265 0 40 HKAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38849617 XPJWLLLFSXWMFA-CQSZACIVSA-N 411.760 5.806 0 40 HKAB CCN(CC)Cc1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 39743397 IYEVXABKZDOGDQ-UHFFFAOYSA-N 413.993 5.033 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)NCc1ccc(CN2CCCCC2)cc1 44875106 DSSZSSGNRPVGEO-UHFFFAOYSA-N 412.577 5.511 0 40 HKAB CN(C)c1ccc(NC(=O)Cc2coc3ccc4ccccc4c23)c(C(F)(F)F)c1 46658441 RGECIDFWSVGIRQ-UHFFFAOYSA-N 412.411 5.852 0 40 HKAB Cc1cccc(NC(=O)CSc2nccn3nc(-c4cccc5ccccc45)cc23)c1 57511042 SBCBRAOFBGQWMW-UHFFFAOYSA-N 424.529 5.589 0 40 HKAB CCC1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCCO4)=NN12 67321572 VAKLUAPIYLOGJV-TUHXZXAOSA-N 404.510 5.298 0 40 HKAB O=c1c2sccc2nc(SCc2ccc(Cl)cc2)n1CCc1ccccc1 71327597 DALLZWNBSLBIJW-UHFFFAOYSA-N 412.967 5.646 0 40 HKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccccc2)cc1 71328038 KPEFYQFBRJRCCF-UHFFFAOYSA-N 409.555 5.175 0 40 HKAB O[C@@H](c1ccccc1)C1CCN(c2ccc3cc(Br)c(F)cc3n2)CC1 72307801 BMFSNDSSQUYEJK-NRFANRHFSA-N 415.306 5.086 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 83260717 PMWTYEQRXYIMND-YHMDZATGSA-N 404.679 6.439 0 40 HKAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2ccc(C3SCCS3)cc2)c1 95469892 VSLLFAIBZVFHDB-UHFFFAOYSA-N 409.580 5.528 0 40 HKAB O=c1[nH]c2c(s1)[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100922130 VTAYVTORGQTMSX-XGAGZNTDSA-N 421.587 5.668 0 40 HKAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OC(C)C 106682210 OOSOIRIALISVSR-ODLFYWEKSA-N 417.914 5.372 0 40 HKAB CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118925754 RTLUSWHIKFIQFU-FFANMRNWSA-N 412.702 8.089 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118935380 WHZUCKVXGABTPN-JZQQPFIGSA-N 413.734 7.958 0 40 HKAB COc1ccc(-c2ncc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(C)n2)cc1 223142957 FHMDAHXUFPAXDL-UHFFFAOYSA-N 411.461 5.505 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Br)c(Cl)c1 223355842 MZFXADQMZPRFMN-IBGZPJMESA-N 422.750 5.777 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1cc(C)cc(C)c1 224530944 ARRXCDYYRPWZBY-UHFFFAOYSA-N 403.522 6.150 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1ccc(OC)cc1 224600033 VHYHOWMIVBCZMO-UHFFFAOYSA-N 421.493 5.324 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3SC)o2)cc1 224913355 JRZHGDKCHZPIQX-UHFFFAOYSA-N 416.502 5.991 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 224972578 NCOHWIPYDIIYKF-UHFFFAOYSA-N 404.941 5.207 0 40 HKAB Cc1ccccc1CN(C(=O)CCc1cccc2ccccc12)[C@H](C)C(=O)NC(C)C 225494263 KCXCWVCXKZZQBB-OAQYLSRUSA-N 416.565 5.023 0 40 HKAB Nc1ccc(Nc2cc(Cl)ccc2Oc2ccccc2)c(C(=O)N2CCCC2)c1 225494733 VCVJWCQPIZZSCJ-UHFFFAOYSA-N 407.901 5.694 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(OCCN3CCCCCC3)cc2)CCC[C@H](C)C1 225663479 XZMQUOUHDWTXES-SQJMNOBHSA-N 416.606 5.255 0 40 HKAB CSc1cccc(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 225804522 UQFSVRBIBVGBHC-UHFFFAOYSA-N 407.417 5.049 0 40 HKAB Cc1ccc(N(C)C(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1C 225907742 YVBBHZLXWCGWME-GOSISDBHSA-N 405.369 5.485 0 40 HKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)c3nc4ccc(F)cc4[nH]3)C2)n1 257328073 XEACVPVJQLLWCN-GOSISDBHSA-N 414.484 5.092 0 40 HKAB CC1(C)CCC[C@]2(C)[C@@H](CBC[C@@H]3[C@@H]4CC[C@@H]5[C@H]4C(C)(C)CCC[C@]35C)[C@@H]3CC[C@@H]2[C@H]31 299754700 IPXFSDFIJKJCCK-LEHVYXEDSA-N 422.550 8.237 0 40 HKAB Cc1ccccc1CNC(=S)c1ccc(OCc2c(Cl)cccc2Cl)cc1 408572701 HSNPJOBKPHZDPM-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB COc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)c(OC)cc1Cl 408620640 IBKOCYWQKMRMJN-UHFFFAOYSA-N 403.906 5.422 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2ccc(F)cc2)c1 408695837 TUQRLSYBLBJHTJ-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1ccc(NC(=O)c2c(NC(=O)COc3ccccc3)sc3c2CCCC3)cc1 409054661 AXPAIGIXKWRRRW-UHFFFAOYSA-N 420.534 5.205 0 40 HKAB Cc1cccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccncc2)c1 409093730 BITLZHOLCVXGIU-UHFFFAOYSA-N 420.925 5.266 0 40 HKAB Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccc(F)c1 409197359 CQYXIMKRVOCOOA-RWEWTDSWSA-N 422.912 5.954 0 40 HKAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)Nc1ccccc1C(F)(F)F 1775978910 VLPPDAACQWIYOG-QGZVFWFLSA-N 406.429 5.289 0 40 HKAB CC(C)CN1C(=O)C2(CCN(C3CCCCC3)CC2)C[C@@H]1Cc1cccc(F)c1 2037846294 WKUNZVLPECNTKV-QHCPKHFHSA-N 400.582 5.040 0 40 HKAB CCOC(=O)c1cc(CC)sc1NC(=O)c1ccccc1CCc1ccccc1 959464 ZMOHMLMTVGEWQR-UHFFFAOYSA-N 407.535 5.525 0 40 HKAB COc1ccc(C(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCC4)cc1 1306340 TUMPZCCBMCAKTH-UHFFFAOYSA-N 406.532 5.335 0 40 HKAB CCOC(=O)c1cccc(NC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)c1 1324258 LXXNFYYNWXFRMZ-UHFFFAOYSA-N 422.481 5.319 0 40 HKAB O=C(OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1)c1ccc(Cl)c(Cl)c1 1391265 MTLBTPMKRNQQFS-UHFFFAOYSA-N 417.079 5.238 0 40 HKAB CCCOc1ccc(NP(=O)(Oc2cccc(C)c2)Oc2cccc(C)c2)cc1 1859258 QVVWZESFWOQFFO-UHFFFAOYSA-N 411.438 6.770 0 40 HKAB CCCOC(=O)c1c(NC(=O)c2ccc(OCC)cc2)sc2c1CC[C@@H](C)C2 2087449 LMZFLIAIXPAXJY-CQSZACIVSA-N 401.528 5.091 0 40 HKAB Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1CCC1=CCCCC1 2291501 KIKNIJUFMYZWDQ-UHFFFAOYSA-N 411.509 5.310 0 40 HKAB Cc1ccccc1OCCSc1nnc(-c2ccncc2)n1-c1ccccc1C 2619862 SATWADPKLIWLQP-UHFFFAOYSA-N 402.523 5.117 0 40 HKAB O=c1c(-c2nc3ccc(Cl)cc3s2)cccn1Cc1ccc(Cl)cc1Cl 3051173 CPFJOFPGJQJGTD-UHFFFAOYSA-N 421.736 6.134 0 40 HKAB COc1cccc(C(=O)Oc2cc(-c3cccc(Cl)c3)c3oc(=O)sc3c2)c1 3252818 MBYKORUMTAOKPL-UHFFFAOYSA-N 412.850 5.403 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 3269275 AHCXREZUYYBLJL-KRWDZBQOSA-N 415.489 5.620 0 40 HKAB COc1ccc(-c2nnc(S[C@@H]3CCCCC3=O)n2C2CCCCC2)cc1OC 3292111 ZXWKUXPJJPMFNG-HXUWFJFHSA-N 415.559 5.071 0 40 HKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4F)nc3c2)c1 4122978 KISOYHUNOWFACA-UHFFFAOYSA-N 419.481 5.378 0 40 HKAB COc1ccc(NC(=O)c2sc3nnc(C)c(/C=C/c4ccccc4)c3c2N)cc1 4648845 LTBUHFPIVRQDBT-MDWZMJQESA-N 416.506 5.013 0 40 HKAB CC(C)Cc1ccc(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3C)c3ccccc3n2)cc1 4651279 FANVPZURCOPVCG-NTKDMRAZSA-N 400.566 6.409 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)cc1 4660838 GCCDANFFPQUCST-INIZCTEOSA-N 405.519 5.820 0 40 HKAB Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CC(=O)Nc1ccc(Cl)cc1 4675155 XSUCOAJFXHYKJJ-UHFFFAOYSA-N 404.897 5.890 0 40 HKAB CC1(C)C[C@@]23Oc4ccccc4N2C(c2ccccc2)=C[C@@H](c2ccccc2)[C@@H]3CO1 4729518 FVYWBKDBHKJWES-LXWOLXCRSA-N 409.529 6.235 0 40 HKAB Cc1nc2c(-c3ccccc3)c(C)nn2c(N2C[C@H](C)C[C@@H](C)C2)c1Cc1ccccc1 5246078 CHEBYCYMYWTTNK-WOJBJXKFSA-N 424.592 6.086 0 40 HKAB Cc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3ccc(N(C)C)cc3)nc12 5265351 FSRHWNGCPKZZLP-UHFFFAOYSA-N 416.550 5.221 0 40 HKAB O=C(OC(c1ccccc1)c1ccccc1)c1cccc(I)c1 5473275 NRRSJMVPBYRHFO-UHFFFAOYSA-N 414.242 5.238 0 40 HKAB Cc1ccc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)c(Br)c1 5498197 ASUJUXQHUADGOF-UHFFFAOYSA-N 409.283 5.410 0 40 HKAB CCOc1cc(C=O)c(Br)cc1OCc1ccc(Br)cc1 5651954 XVRLKAQCTBEUEK-UHFFFAOYSA-N 414.093 5.002 0 40 HKAB Cc1ccc2nc(SCc3nc4scc(-c5ccccc5)c4c(=O)[nH]3)[nH]c2c1 5927789 FTGNABBSVKNGSV-UHFFFAOYSA-N 404.520 5.129 0 40 HKAB COc1ccc(CNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3C)n2)cc1 6090663 SHXQUMLKACODFU-UHFFFAOYSA-N 421.500 5.630 0 40 HKAB biogenic CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N(CC)CC)cc2C)c1 6629140 IAKZMSXYUULLQY-UHFFFAOYSA-N 413.587 5.147 0 40 HKAB Cc1cc(C(=O)COC(=O)c2c(Cl)cccc2Cl)c(C)n1Cc1ccco1 6887197 COUAVOOXCSTREI-UHFFFAOYSA-N 406.265 5.093 0 40 HKAB CC(C)C[C@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1 7427443 IBPMJAASDVWHSW-FQEVSTJZSA-N 420.538 5.214 0 40 HKAB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 7882233 WCSAQFYRVAWCDI-QGZVFWFLSA-N 420.896 5.432 0 40 HKAB Clc1ccc(CSc2nccc(-c3cc(Cl)sc3Cl)n2)c(Cl)c1 8857144 XXHBZQKKSZPUNS-UHFFFAOYSA-N 422.189 7.111 0 40 HKAB COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3cccc(Cl)c3)cc2O)c1 9130694 ZDMTZHUKHSSDDR-UHFFFAOYSA-N 422.868 5.816 0 40 HKAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2ccc3ccccc3c2)o1 9417433 DGNVKMYSBOUPHC-CQSZACIVSA-N 408.454 5.477 0 40 HKAB CSc1ccc(CN(C)C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 12802607 ZZVPZQNXWMVDAI-QFIPXVFZSA-N 414.571 5.109 0 40 HKAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3c(Cl)cccc3Cl)n2)cc1 13135073 ORPPSGMEMVYJPF-UHFFFAOYSA-N 420.321 5.257 0 40 HKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4Cl)cc3n2)cc1 13362259 ACRXLJNLIKJGFN-UHFFFAOYSA-N 404.901 5.505 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 13409005 YMMFNKXZULYSOQ-QCEIVMJQSA-N 420.678 5.554 0 40 HKAB Cc1ccc(-c2noc(-c3cc4nc(-c5ccccc5)cc(C(F)(F)F)n4n3)n2)cc1 13644859 IDJZSZXHSDRPQB-UHFFFAOYSA-N 421.382 5.441 0 40 HKAB Fc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)c1 13769187 LQYWKXXDJLYOON-XXBNENTESA-N 422.843 5.450 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 13843221 XCPOGABPLQEYCQ-UHFFFAOYSA-N 411.889 5.084 0 40 HKAB Cc1ccc(Cn2nc(C)c(C(=O)N[C@H](C)c3cc4ccccc4o3)c2Cl)cc1 14701484 KAPIVBKRQCWOOR-OAHLLOKOSA-N 407.901 5.439 0 40 HKAB CCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(F)(F)F)c1 14835467 XZVVACXWFCDHKF-UHFFFAOYSA-N 402.210 5.509 0 40 HKAB CC[C@@H](C)[C@@H](C(=O)Nc1nc2ccc(Br)cc2s1)c1ccccc1 15583634 PBUNYVUZBUNPFF-SJKOYZFVSA-N 403.345 5.827 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2sc3cccc(Cl)c3c2Cl)N2CCCC2)o1 15860462 PGADAFJFANPZIO-AWEZNQCLSA-N 423.365 5.676 0 40 HKAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)nc12 17088417 XCEYWKODBCEURG-UHFFFAOYSA-N 410.351 5.347 0 40 HKAB C[C@@H](Cc1cccs1)C(=O)N1CCC(c2nc3ccccn3c2NC(C)(C)C)CC1 19457130 YLLVRJBOHMEPLK-KRWDZBQOSA-N 424.614 5.191 0 40 HKAB CCCCCCOc1ccc(NCc2ccc(OCCOc3ccccc3)cc2)cc1 19738140 OQTTZHYSQTWQQB-UHFFFAOYSA-N 419.565 6.716 0 40 HKAB Cc1cccc(NC(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)c1 20408288 RXRWJNLAPJUHQC-UHFFFAOYSA-N 416.506 5.981 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20481439 KTZNHRHKBRKECZ-AREMUKBSSA-N 422.528 6.764 0 40 HKAB COc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 21578858 NIHXQJXNRNKGIS-UHFFFAOYSA-N 416.477 5.446 0 40 HKAB Cc1nc(SCC(=O)Nc2ccnn2C(C)C)c2cc(-c3ccccc3)sc2n1 23175650 COMOVONQJOBEAS-UHFFFAOYSA-N 423.567 5.175 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)c2sc3nc(-c4ccco4)[nH]c(=O)c3c2C)cc1 24549408 DIENIDNWJVBTSM-LBPRGKRZSA-N 407.495 5.319 0 40 HKAB CCc1ccc(-c2csc(NC(=O)COc3cc(C)cc(C)c3)c2C(=O)OC)cc1 28284443 RJFRJGGSMVGWDB-UHFFFAOYSA-N 423.534 5.398 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 30940207 OTUBAPPIBHSZMJ-UHFFFAOYSA-N 421.368 5.631 0 40 HKAB Cc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3)no2)c1 33327265 WDIOBJYSVMTYPM-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB Cc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)c(C)c2-c2ccc(C)cc2)cc1 36611605 WWLUUYQGSIYFFL-UHFFFAOYSA-N 409.533 6.089 0 40 HKAB C[C@@H](NC(=O)c1ccccc1SCc1cn2ccccc2n1)c1cccc(F)c1 40060253 SIOLIVPZBXHNCN-MRXNPFEDSA-N 405.498 5.257 0 40 HKAB Cc1cccc(C2=NC3(CCCCCC3)N(C(=O)c3ccc(C)c(C)c3)C2=S)c1 45933099 BHBRJAHDMQDLHF-UHFFFAOYSA-N 404.579 5.935 0 40 HKAB O=C(NCCC1=CCCCC1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078927 UHRAWJHAGJEILZ-UHFFFAOYSA-N 406.501 5.039 0 40 HKAB O=C(Nc1cccc(COC[C@H]2CCCCO2)c1)N1CCC[C@H]1c1ccsc1 47627398 NRCAOKMTUMDDNM-RTWAWAEBSA-N 400.544 5.203 0 40 HKAB COc1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc23)c(C)c1 49004780 JYDCDLRROUPJPQ-UHFFFAOYSA-N 404.514 5.015 0 40 HKAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(c3ncc(-c4ccc(F)c(F)c4)[nH]3)CC2)C1(C)C 65533636 LXUORYXCGLTADI-UTKZUKDTSA-N 413.512 5.299 0 40 HKAB Cc1cc(C)cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c1 67294891 LGMQILAUQMKZPD-GFMRDNFCSA-N 409.898 5.644 0 40 HKAB Fc1ccc(-c2nnc(C3CCN(Cc4csc(-c5ccccc5)n4)CC3)o2)cc1 70641636 GHVDHTVTBXNNRP-UHFFFAOYSA-N 420.513 5.379 0 40 HKAB COC(=O)c1cc(COC(=O)c2ccccc2-c2nc3ccccc3s2)oc1C 89536630 PGQJEWYIYVFCEQ-UHFFFAOYSA-N 407.447 5.008 0 40 HKAB Cc1ccc(CN2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)s1 96099929 MFHCWNOMURHHFZ-UHFFFAOYSA-N 402.567 5.385 0 40 HKAB COc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1F 106971199 PEBCKBKQIFPZJP-UHFFFAOYSA-N 420.311 6.641 0 40 HKAB COc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 107035314 ZWAINFNGJAQLGG-UHFFFAOYSA-N 418.320 6.202 0 40 HKAB O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1c[nH]c2ccccc12 208011377 WQVOQMWMLLYZAB-UHFFFAOYSA-N 413.477 6.350 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1ccccc1Cl 223009849 CJXPHLWXWGVUIW-LJQANCHMSA-N 412.382 5.509 0 40 HKAB Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c1 224002552 XOPBUNFTOYKOKI-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc(OCCNC(=O)c2ccccc2SCc2ccccc2)cc1Cl 224147420 YFELZUFEXDVGJK-UHFFFAOYSA-N 411.954 5.750 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2)c1 224199008 QSMRNARHXJVKBS-UHFFFAOYSA-N 417.549 6.268 0 40 HKAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccccc1OC 224246798 NOEOVXDOQBWOCC-UHFFFAOYSA-N 405.494 5.460 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccc(Cl)c(C)c1 224542028 PXUWYRWNJPOLRH-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB CCCOCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCC 224706782 IFIPBQKYKOFKJC-UHFFFAOYSA-N 415.839 5.936 0 40 HKAB CCC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224955638 LMKUHYHQFBGXRU-AWEZNQCLSA-N 413.315 5.690 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3ccccc3[nH]2)cc1 225259142 XUDONQTVOBWALQ-UHFFFAOYSA-N 405.457 6.275 0 40 HKAB CC(C)C[C@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccccc1 225493249 IAPUHYKNYVUPAQ-DEOSSOPVSA-N 420.647 7.053 0 40 HKAB C[C@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 225515965 HSQMGXIZYDELDN-FQEVSTJZSA-N 424.560 5.529 0 40 HKAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(Br)c(Cl)c1 225635967 HKHRKEUKRQSCHG-LBPRGKRZSA-N 413.768 5.165 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@@H](C)C3)cc2)CCCCC1 225657210 GPKIKXAIFHIWIX-OYRHEFFESA-N 416.606 5.111 0 40 HKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)C(C)C 225762293 SFUIEKNLHWMTAH-QFIPXVFZSA-N 409.599 5.305 0 40 HKAB C[C@H](NC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 226980030 JJHGYKITNHLJFA-JAPZUEDKSA-N 420.435 5.441 0 40 HKAB CCOc1ccc(C2=NN3[C@H](c4ccsc4)Oc4c(OCC)cccc4[C@H]3C2)cc1 248379627 NLEDJEWAOGNQHZ-QPPBQGQZSA-N 420.534 5.788 0 40 HKAB CCc1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)cs1 257321383 WBLMNUOKDUSYLK-HDJSIYSDSA-N 401.557 5.126 0 40 HKAB Cc1ccc(N2C[C@H](C(=O)Oc3ccccc3-c3ccccc3)CC2=O)cc1Cl 408651391 CHRGSDOSEKXBPC-GOSISDBHSA-N 405.881 5.274 0 40 HKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)cc1 408775344 PMOOXRXTNXDYTH-WLJFKGHSSA-N 410.926 5.762 0 40 HKAB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1cccc2ccccc12 409055413 YHTFDFAVELLRJN-UHFFFAOYSA-N 424.500 7.022 0 40 HKAB Cc1c(Cl)cccc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1 409111677 DLXSCHMKCJBJHR-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB O=C1S[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccc(F)cc1 409139217 BPIOLAPVLPYWTF-QFIPXVFZSA-N 421.493 5.211 0 40 HKAB CCOc1cc(CNc2ccccc2Cl)ccc1OCc1cccc(Cl)c1 409180210 QABNJCTZDMDPAV-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3)C2=O)cc1 409328431 VDAUJFAMJRFGIS-WOJGMQOQSA-N 414.914 5.138 0 40 HKAB COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(Br)c(C(C)C)cc3C(=O)C[C@H]21 1776010824 OYAKFDBFYSBGBP-HMXCVIKNSA-N 407.348 5.396 0 40 HKAB Cc1ccc(N=c2c(S(=O)(=O)c3ccc(C)c(C)c3)c[nH]c3ccc(C)cc23)cc1 1889149449 GXHPJDZVYRZSHW-UHFFFAOYSA-N 416.546 5.467 0 40 HKAB Cc1cc2nc(-c3cc(NC(=O)Cc4ccc(Cl)cc4)ccc3O)oc2cc1C 722931 DYPJLMPQBSURFT-UHFFFAOYSA-N 406.869 5.652 0 40 HKAB O=C(c1ccc(Cl)cc1)C1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 1336670 APFIZAIOGVLFKZ-UHFFFAOYSA-N 410.823 5.486 0 40 HKAB COc1ccc(C(=O)CSc2nc(C3CC3)nc3sc4c(c23)CC[C@H](C)C4)cc1 1377264 OAKCXGSNOOJLMX-ZDUSSCGKSA-N 424.591 5.677 0 40 HKAB CCOc1ccccc1Oc1coc2cc(OC(=O)c3ccc(C)cc3)ccc2c1=O 1931393 XTJWESMYFYERHE-UHFFFAOYSA-N 416.429 5.512 0 40 HKAB biogenic O=C(Nc1cccc2ccccc12)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2083571 UEMGBYFVIKQJLI-UHFFFAOYSA-N 414.917 7.022 0 40 HKAB CCCCCOc1cccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)c1 2110937 IEFRVMKLIFGNMU-ZRVKMLQASA-N 404.554 5.283 0 40 HKAB biogenic COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2cc(C)ccc2C)C4)cc1 2114278 LCSODVDGMLRYLR-UHFFFAOYSA-N 413.473 5.442 0 40 HKAB biogenic Cc1cccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c1C 2147033 PIYYVWRGQMBKDS-UHFFFAOYSA-N 403.478 5.653 0 40 HKAB biogenic Cc1ccc(Sc2c(C)nn(C(C)(C)C)c2OC(=O)c2ccccc2Cl)cc1 2713916 ASOYULXSXORWFW-UHFFFAOYSA-N 414.958 6.279 0 40 HKAB O=c1c2c(nc(SCc3ccc(Cl)cc3)n1-c1ccc(Cl)cc1)CCS2 2720022 VDOACRHMNVHEOC-UHFFFAOYSA-N 421.374 5.480 0 40 HKAB CC[C@H](C)Sc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(C)cc1 2721678 KUFABSRPZVVRBI-INIZCTEOSA-N 401.553 5.682 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 3269274 AHCXREZUYYBLJL-QGZVFWFLSA-N 415.489 5.620 0 40 HKAB COc1ccc(C(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1 3300118 ZSGQYDXYQBYHGK-UHFFFAOYSA-N 404.466 5.420 0 40 HKAB S=c1n(CN2CC[C@@H](c3ccccc3)C2)nc(-c2ccccc2)n1-c1ccccc1 4624042 SIXDPQSPJIICJY-JOCHJYFZSA-N 412.562 5.517 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)c2c(-c3ccc(Cl)cc3)nn(C(=O)/C=C/c3ccccc3)c21 4671449 MIVRGYYYCUHJCD-JFAWEDBCSA-N 418.968 7.194 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2OC32CCCCC2)cc1 4715923 GKDYLZBHNPKFQU-QFIPXVFZSA-N 406.526 5.688 0 40 HKAB COc1cc(C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccc(Cl)cc1 4741182 ICTYBHHOQZZWAA-UHFFFAOYSA-N 410.901 5.246 0 40 HKAB O=c1c2ccccc2nc(/C=C/c2ccc(O)cc2)n1-c1c(Cl)cccc1Cl 4811552 FYTHXKZVWDSPDO-JLHYYAGUSA-N 409.272 5.569 0 40 HKAB Cc1ccc(-c2nn(-c3cccc(F)c3)c3c2cnc2cc4c(cc23)OCCO4)cc1 4970064 DPGVNSTWKWURCF-UHFFFAOYSA-N 411.436 5.459 0 40 HKAB COc1ccc(C2=Nc3nc(-c4ccccc4)cn3[C@H](c3ccc(OC)cc3)C2)cc1 5072416 LYQRVDJYQDTLNC-VWLOTQADSA-N 409.489 5.681 0 40 HKAB aggregator CCN(CC)CCN(C(=O)c1cccc(C)c1)c1nc2ccc(Cl)cc2s1 5121882 PVMYGZSZIZEMOK-UHFFFAOYSA-N 401.963 5.247 0 40 HKAB O=C(CSc1ccccc1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 5268683 SCSNFQPEZJJREE-UHFFFAOYSA-N 409.511 5.156 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(c1cc(C)on1)C3=O 5270099 UXFGLCVWHAINKT-QFIPXVFZSA-N 414.461 5.271 0 40 HKAB COc1ccc(-c2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2C)cc1OC 5749302 MMQHWPJVYTUCPU-UHFFFAOYSA-N 412.555 5.291 0 40 HKAB COc1cccc(/C=C(/C(=O)OCC(=O)NC2CCCCCCC2)c2ccccc2)c1 6047692 ZZSQYPPXJDRFAE-HKOYGPOVSA-N 421.537 5.008 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1Cc3ccccc3[C@H]21 6277044 JLYGZQVAUKMGFP-CEWLAPEOSA-N 409.407 5.875 0 40 HKAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N[C@H](C)c2ccccc2)cc1 6337024 MIAXFOMKJJONOP-LJQANCHMSA-N 412.558 6.205 0 40 HKAB CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cc2cc(Cl)ccc2o1 6356616 FIFZDSZTUDZKGZ-UHFFFAOYSA-N 412.902 5.095 0 40 HKAB CCCOc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(OCC)cc32)cc1 6500715 HYYILBVDSGPJNM-UHFFFAOYSA-N 417.484 5.447 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 6580395 FYAPUOQTPBLDLM-UHFFFAOYSA-N 413.546 5.835 0 40 HKAB Clc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1Cl 6618444 XWAFGJKYKZNLRD-UHFFFAOYSA-N 412.341 7.608 0 40 HKAB CC(C)CC(=O)NC(=S)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 6693189 BNQYIIUAFBWCGL-UHFFFAOYSA-N 409.555 5.651 0 40 HKAB O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)N[C@@H]1CCCc2ccccc21 6880112 FSXIWPCJGCCLGQ-GOSISDBHSA-N 417.361 5.853 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN(C)Cc4ccccc4C)[nH]c(=O)c23)cc1 7004364 MIJFVVLYUVTGLP-UHFFFAOYSA-N 403.551 5.209 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1 7389801 RSSVJLKCTPVANT-QGZVFWFLSA-N 415.493 5.099 0 40 HKAB Fc1ccc(-c2nc(CSc3nnc(-c4cccs4)n3C3CC3)cs2)cc1 7763706 VMPKZFLEBGIESS-UHFFFAOYSA-N 414.556 5.896 0 40 HKAB Cc1ccc(-c2nnc([C@H](C)OC(=O)c3c4c(nc5ccccc35)CCCC4)o2)cc1 8288288 GAADLWYRFCQQHV-INIZCTEOSA-N 413.477 5.390 0 40 HKAB COc1cc(/C=C/C(=O)Oc2ccccc2)ccc1C(=O)O/C=C\c1ccccc1 8655999 KWKVWLLCZGKCMZ-NPALGEPZSA-N 400.430 5.142 0 40 HKAB O=C(COc1ccc2ccccc2c1)Nc1nnc(SCc2cccs2)s1 8755544 HZPFDMZRDRLUBK-UHFFFAOYSA-N 413.549 5.063 0 40 HKAB COc1ccc(Br)c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c1 8942661 BHXBNINYJQEUSG-UHFFFAOYSA-N 423.719 5.487 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3Cl)c3ccccc3)cc2c1 9428210 XZKMAGGIWYOPFZ-UHFFFAOYSA-N 402.881 5.337 0 40 HKAB CCOc1ccc(-c2cc(=O)c3cc(NC(=O)Nc4ccccc4)ccc3o2)cc1 9660138 ZBHZKRADBLRLRL-UHFFFAOYSA-N 400.434 5.503 0 40 HKAB biogenic O=C(CSc1nc2ccccc2[nH]1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 9867111 WEKCJWXMPTVFAH-MRXNPFEDSA-N 424.576 5.156 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(CN2CCCC2)cc1 10335497 NGTOFFMHVYXAQE-UHFFFAOYSA-N 418.924 5.419 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1cccc(OCc2cn3cccc(C)c3n2)c1 12544561 OTMPLYSRSOSPOK-UHFFFAOYSA-N 413.521 5.599 0 40 HKAB COc1ccc(-n2c(COc3cccc(Br)c3)nc3ccccc32)cc1 12659231 RJEFQSYIQUHHFY-UHFFFAOYSA-N 409.283 5.376 0 40 HKAB CC(=O)c1ccc(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)cc1 12983037 ZQSNFKFYWKYPQS-UHFFFAOYSA-N 409.283 5.274 0 40 HKAB C[C@@H](c1ccccc1)N(C)Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1 12997757 YSICBWWJFYXXHP-AWEZNQCLSA-N 409.942 5.498 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1Cl 13842551 KACISUPLCPFEKI-UHFFFAOYSA-N 412.276 5.798 0 40 HKAB COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 16157640 MSEOMCHWWYUHGC-DHZHZOJOSA-N 416.260 5.692 0 40 HKAB COc1ccccc1-c1cc(-c2ccccc2OC)n(Cc2c(F)cccc2Cl)n1 17093311 MMHAXOBFQPUBBD-UHFFFAOYSA-N 422.887 6.075 0 40 HKAB Cc1ccc(N/C=C2/C(=O)N(c3cccc(Cl)c3)C(=O)c3ccccc32)c(C)c1 18100751 OUWQXSQSNKHXMD-KGENOOAVSA-N 402.881 5.597 0 40 HKAB Cc1nc(C2CC2)nc2sc(C(=O)Nc3ccc(OCC(F)(F)F)cc3)c(C)c12 24970060 LXBPUYBCNRRPKI-UHFFFAOYSA-N 421.444 5.379 0 40 HKAB CC(C)c1ccc([C@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c2cccs2)cc1 25001947 IWCONECJHOXCCZ-XXBNENTESA-N 404.535 5.203 0 40 HKAB CC1=C[C@@H](CNC(=O)C(C)(C)C)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1ccccc1 30880142 VAUKYLRTSOUELR-VABKMULXSA-N 412.618 5.052 0 40 HKAB biogenic,in-vitro CC(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)C4=CC[C@]3(C)[C@@H]12 31542851 VTRXZBXHHPHXRX-YFDCDDMRSA-N 424.713 8.233 0 40 HKAB biogenic CCN(CC)Cc1ccccc1CNC(=O)N1CCC(c2c[nH]c3ccccc23)CC1 32795559 FUKIEVOKPCTOFO-UHFFFAOYSA-N 418.585 5.099 0 40 HKAB Cc1cc(C(=O)Nc2cccc(N3CCCn4c(nc5ccccc54)C3)c2)sc1C 36353606 XNVUHYNDDSSWMP-UHFFFAOYSA-N 416.550 5.377 0 40 HKAB O=C(CCCCCCOCc1ccccc1)CCCCCCOCc1ccccc1 44699194 BJRWCOBRUFZJGO-UHFFFAOYSA-N 410.598 6.890 0 40 HKAB in-vitro CCOC(=O)c1c(N[C@H]2OC(=O)c3ccccc32)sc2c1CC[C@H](C(C)(C)C)C2 44827191 QEQUPJBPQHPCDQ-DJJJIMSYSA-N 413.539 5.357 0 40 HKAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 58008296 UTAWHEOGGYYCII-HXUWFJFHSA-N 421.562 5.101 0 40 HKAB COc1ccc([C@@H](NC(=O)COc2cc(C)ccc2C(C)C)c2ccccc2)cc1 67194132 PHAIGOVXRAXCRU-SANMLTNESA-N 403.522 5.412 0 40 HKAB CC[C@@H]1COCCN1c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 78813814 NCKDKPRUYQQZQX-QGZVFWFLSA-N 402.523 5.036 0 40 HKAB O=C(c1cccs1)N1N=C(c2cccc(Cl)c2)C[C@H]1c1ccc2nccnc2c1 95116814 ISHVFEDHRBJBSI-FQEVSTJZSA-N 418.909 5.336 0 40 HKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccc(F)c(F)c1F 102181809 GMRHMRVRAICNHE-BASMTZLZSA-N 402.254 5.166 0 40 HKAB COc1ccc2ccc(OC)c(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)c2c1 106708869 LFGMNSOIQGXRPU-XKZIYDEJSA-N 419.502 5.402 0 40 HKAB O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1cccc2ccccc12 106718808 JVWKKVUSTOMALL-UNOMPAQXSA-N 413.420 6.095 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1 106971375 ZHJCMZGIWCZULA-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB CC[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(OC)c(OC)c1 218979603 NDLXBLGLZOTQRZ-JOCHJYFZSA-N 405.494 5.164 0 40 HKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 222983965 KKFFNQDXCZSKAY-QHCPKHFHSA-N 408.542 5.162 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 223005728 MAMWMCPBTFDALV-XMMPIXPASA-N 407.941 6.035 0 40 HKAB CC[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)CCCC2 223017250 VZTPVEUKUXDTMN-SANMLTNESA-N 415.602 6.739 0 40 HKAB C[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc2c(c1)CCC2 223230942 OMIYOYUXVOSBHZ-KRWDZBQOSA-N 405.925 5.899 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1cccc2ccccc12 224302391 HPOAQDAMFUGHMN-UHFFFAOYSA-N 419.427 5.958 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1cccc(C)c1 224462855 SVJLEJUSZJFCSY-GOSISDBHSA-N 423.940 6.117 0 40 HKAB Cn1c(=O)sc2cc(NC(=O)c3ccc(CSc4ccccc4)cc3)ccc21 225021024 KAQHUCDEQPMEPE-UHFFFAOYSA-N 406.532 5.145 0 40 HKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 225023444 RSDWBEKEIRFFPZ-RUZDIDTESA-N 420.597 5.184 0 40 HKAB S=C(NCc1ccccc1Cl)Nc1cccnc1Sc1ccc(Cl)cc1 225190614 IDLSAGFWGROCHD-UHFFFAOYSA-N 420.390 6.026 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCSCc2ccccc2C)c1 225601332 IXQIDAKXWIOAOH-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB COc1ccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c2cccnc12 225701939 GYXZVZGEJYVFBA-HSZRJFAPSA-N 413.546 5.628 0 40 HKAB Nc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(Cl)c1 227148244 FOAQLTOTTHTODZ-XBXARRHUSA-N 407.684 6.141 0 40 HKAB CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CC(C)(C)C)CC1 257242290 IBUJRKFJPKTIBS-UHFFFAOYSA-N 420.597 5.029 0 40 HKAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc34)o2)CC1)C1CCCCC1 257282486 OTXVZPCPAXMMRJ-IRJFHVNHSA-N 418.541 5.255 0 40 HKAB CC1CCN(c2ccc(NC(=O)COc3ccc(C(C)C)cc3)cc2Cl)CC1 408629331 XGYNZKUELVZLME-UHFFFAOYSA-N 400.950 5.717 0 40 HKAB O=C(Nc1ccccn1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 408733543 ZBWYHNFBYUMOTR-UHFFFAOYSA-N 415.496 6.459 0 40 HKAB COc1ccc(/N=c2\ssc3c2-c2cc(OC)ccc2NC3(C)C)c(OC)c1 709202 BNRBAUGZQVVKBH-XDOYNYLZSA-N 414.552 5.395 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccccc3Cl)cc2c1 1353100 ZITZKCBPBXVYMQ-UHFFFAOYSA-N 421.884 5.317 0 40 HKAB c1ccc(-c2cn(-c3ccccc3)c3ncnc(NCc4ccc5c(c4)OCO5)c23)cc1 1447531 CZTWHSCZHBOBLZ-UHFFFAOYSA-N 420.472 5.428 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1c1ccccc1 1448244 FCPKLAFQEHYQCW-GOSISDBHSA-N 401.897 5.259 0 40 HKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOc1ccc(Cl)cc1 2217144 WPZGZNXLZNZULF-UHFFFAOYSA-N 411.288 5.449 0 40 HKAB COc1ccc(C)cc1-n1sc2c(c1=S)-c1cccc3c1N(C(=O)C3=O)C2(C)C 2226861 FBWIKSOYHOJIAI-UHFFFAOYSA-N 422.531 5.030 0 40 HKAB CCCCCCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc2cc1OC 2366180 BQKLAYKPVJBREE-UHFFFAOYSA-N 402.494 5.777 0 40 HKAB CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 2454228 VJGQEJMOFQBDKR-UHFFFAOYSA-N 407.627 6.852 0 40 HKAB Cc1ccc2c(C)nc(SC(=O)N3c4ccccc4Sc4ccccc43)nc2c1 3237906 OQNCSJOCDFUFRP-UHFFFAOYSA-N 415.543 6.762 0 40 HKAB O=C(CN[C@H]1CCCc2ccccc21)Nc1ccccc1Sc1ccc(Cl)cc1 3287788 GWLSXTHLFUTAKD-NRFANRHFSA-N 422.981 6.097 0 40 HKAB Ic1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1 3346712 IQCWSDADTUFGCQ-UHFFFAOYSA-N 423.257 5.645 0 40 HKAB O=C(CSc1ccc2ccccc2c1)OCc1ccccc1Oc1ccccc1 3443830 XZDFOZLBXJOXNB-UHFFFAOYSA-N 400.499 6.468 0 40 HKAB Clc1ccc(-c2nnc(SCc3cccc(Cl)c3)n2-c2ccccc2)cc1 4286009 HTZDJVRRSVEIOM-UHFFFAOYSA-N 412.345 6.533 0 40 HKAB CC[C@H](C)C(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)[C@H](C)CC)c2ccccc21 4591582 WYDOYBRGEXKRFI-KCOOYEKVSA-N 406.570 5.978 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)Cc4ccccc4)ccc3o2)cc1C 4710968 NYIBEAFZVXNMCV-UHFFFAOYSA-N 415.518 5.167 0 40 HKAB FC(F)(F)c1cccc(Oc2ncnc3scc(-c4ccc(Cl)cc4)c23)c1 4747809 VHXTYKPXBBEVBG-UHFFFAOYSA-N 406.816 6.823 0 40 HKAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)c1ccc2c(c1)CCC2 5332584 DLOHDVCYQFZASV-AWEZNQCLSA-N 407.514 5.271 0 40 HKAB Cc1ccc(-c2nc(C(=O)NC[C@@H](O)c3ccccc3)cc3c2[nH]c2ccccc23)cc1 6173663 LFAMORDHUKNYRK-XMMPIXPASA-N 421.500 5.155 0 40 HKAB biogenic Cc1cc(OCc2nnc(SCc3ccccc3)n2-c2ccccc2)ccc1Cl 6194224 FSECEACSSDQHAF-UHFFFAOYSA-N 421.953 6.100 0 40 HKAB C=CCc1cc(/C=C2/Sc3ccccc3C2=O)cc(OC)c1OCc1ccccc1 6441192 KYGQRYSZTULPPW-LFVJCYFKSA-N 414.526 6.332 0 40 HKAB O=C(Cc1c(F)cccc1Cl)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 6604578 MFVGEJOKNBPQIR-KRWDZBQOSA-N 412.917 5.513 0 40 HKAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1nc2c(s1)CCCC2 7062281 XHUBGQSNXSFGRQ-UHFFFAOYSA-N 414.534 5.435 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1 7080093 WFDUZIXYFPEPQT-SFHVURJKSA-N 414.505 6.334 0 40 HKAB COc1ccc(C)cc1N1C[C@@H](C(=O)Nc2c(C(C)C)cccc2C(C)C)CC1=O 7668862 ZPSLJIVSGAZHKG-SFHVURJKSA-N 408.542 5.242 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)nc2c1 8196726 LPGUPZKIFOTYDZ-OAHLLOKOSA-N 404.897 6.914 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)c1 8335566 OZJCRMNGJRYQCL-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB Cc1ccc(NC(=O)N(Cc2cccc(C)c2C)c2nnc3n2CCCCC3)cc1 8550218 DIOVIEIKADNTMA-UHFFFAOYSA-N 403.530 5.168 0 40 HKAB FC(F)(F)c1cccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)c1 8740402 QKWYEUSZMWIECO-UHFFFAOYSA-N 424.813 6.308 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)C1CCN(Cc2ccccc2Cl)CC1 9063257 HTCDDMMKMIIRJK-UHFFFAOYSA-N 420.940 5.983 0 40 HKAB Cc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)c(C)c1 9100521 OQJRRFWMUZIOKQ-UHFFFAOYSA-N 411.505 5.380 0 40 HKAB Brc1ccccc1-c1nnc(SCc2ncc(-c3ccccc3)o2)o1 9496532 OJCAVPQEVILXRB-UHFFFAOYSA-N 414.284 5.446 0 40 HKAB COc1cc2cc(C3CCN(C(=O)c4cc(C)oc4C4CC4)CC3)ncc2cc1C 12188106 RRRDHAXWTRSOIA-UHFFFAOYSA-N 404.510 5.350 0 40 HKAB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)c(C)c1 12342013 PSUPLRQXZAWWPP-UHFFFAOYSA-N 417.896 5.275 0 40 HKAB Cc1nnc2sc(-c3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3)nn12 13566136 YHHPVCGWOPQVFK-UHFFFAOYSA-N 419.897 5.220 0 40 HKAB COc1ccc(CCn2c(-c3ccccc3)cs/c2=N\c2ccccc2)cc1OC 13786205 HPCQROMIZOAQHB-QPLCGJKRSA-N 416.546 5.709 0 40 HKAB C[C@H](CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccccc1 14020390 INPWYFMLOCSRJS-CQSZACIVSA-N 416.399 5.683 0 40 HKAB Clc1ccc(-c2nnc(SCc3nnsc3Cl)n2Cc2ccco2)cc1 14200561 XVHPKRMBVYPNDJ-UHFFFAOYSA-N 424.338 5.037 0 40 HKAB CCc1nn2c(c1-c1ccc(Cl)cc1)N=C(c1ccco1)C[C@H]2c1ccccn1 14607647 GUQSORVSTKOVGY-FQEVSTJZSA-N 402.885 5.868 0 40 HKAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(Oc2ccccc2)cc1 15578920 UBZUWLFJEFAQPK-UHFFFAOYSA-N 403.413 5.239 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 16047604 OPLRVCRYCXFIAB-UHFFFAOYSA-N 414.248 5.458 0 40 HKAB Clc1ccc(COc2ccc(Br)cc2CNCc2ccccc2)cc1 16480099 QIUKIALUQRUTQQ-UHFFFAOYSA-N 416.746 5.971 0 40 HKAB Cc1nc(NC(=O)c2cccc3c(Cl)cccc23)ccc1I 17093274 ZENWYOXSARTDMX-UHFFFAOYSA-N 422.653 5.054 0 40 HKAB COC(=O)c1cc2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc2s1 20025320 NADHXPUIUUQDNH-UHFFFAOYSA-N 401.487 5.459 0 40 HKAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl 20110286 IKXJHSHZYGRZKA-IBGZPJMESA-N 412.382 5.509 0 40 HKAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN([C@H]1CCCc2ccccc21)CO3 20610364 QEBWAYKHRDTLSH-DEOSSOPVSA-N 409.485 5.690 0 40 HKAB biogenic CCOc1ccccc1-c1nc(CC(=O)N(Cc2ccccc2F)C2CC2)cs1 22280636 XTZQUQVHYWCJAV-UHFFFAOYSA-N 410.514 5.082 0 40 HKAB O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(-c2ccc(F)cc2)s1 22289792 KZLLBXUNXAPVIG-UHFFFAOYSA-N 401.532 5.249 0 40 HKAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Nc2ncccn2)c1 24860795 HKOJWVOPKHCVDT-UHFFFAOYSA-N 416.403 5.280 0 40 HKAB Cc1nnc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2-c2ccccc2)o1 24919754 WLEAXLBGGVJZNV-UHFFFAOYSA-N 418.309 5.225 0 40 HKAB COc1ccc(CC(=O)Nc2nc(-c3ccc(-c4cccc(F)c4)s3)cs2)cc1 27913860 CWFYYGLTMIUMPY-UHFFFAOYSA-N 424.522 5.868 0 40 HKAB O=C(Nc1ccc(OC(=O)c2cccc3cccnc23)cc1)c1ccccc1Cl 28343340 HEAFTTWWSFILDQ-UHFFFAOYSA-N 402.837 5.360 0 40 HKAB CCOC(=O)c1cc(NC(=O)c2cccc(OCc3ccccc3)c2)ccc1Cl 30859226 QYOTYWMULXHRTC-UHFFFAOYSA-N 409.869 5.348 0 40 HKAB O=C(Nc1ccc(-c2ccc(NC(=O)Nc3cccnc3)cc2)cc1)Nc1cccnc1 32109889 FPNRXRISVFUFCB-UHFFFAOYSA-N 424.464 5.432 0 40 HKAB O=C(COc1ccccc1Cl)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 32623024 VVMGTOHSAQTQTP-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1 39761835 GQGWROOPMXUFFF-UHFFFAOYSA-N 418.968 5.458 0 40 HKAB C[C@H]1C[C@@H](N(C(=O)C(C)(C)C)c2ccccc2)c2ccccc2N1C(=O)C(C)(C)C 59428175 YLZNMSCLZSJKEJ-PGRDOPGGSA-N 406.570 5.978 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(-c3ccncc3)nc2c1 59477614 IKNWJKZJMNMOIC-DHZHZOJOSA-N 407.429 5.802 0 40 HKAB O=C(Nc1ccccc1)N1CCCCC[C@@H]1C1CCN(c2nc3ccccc3o2)CC1 69929159 POEUFJLLDGSYGY-JOCHJYFZSA-N 418.541 5.521 0 40 HKAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1C/C(=C\c1ccc3c(c1)OCO3)[C@@H]2O 71782828 JFDHIMAJTWDPBB-AGKFQTPCSA-N 418.533 5.334 0 40 HKAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccco2)c1 71844323 FFJNGOJEPWDFGU-VXKWHMMOSA-N 402.494 5.330 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(Sc3ccccc3)nc2)cc1 72217639 LWHHJVMMFFDPQD-JOCHJYFZSA-N 424.591 5.457 0 40 HKAB O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72230049 QZIJWPTUJUWXTQ-NRFANRHFSA-N 402.277 5.093 0 40 HKAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)c3cccc4cccnc34)C2)n1 72353968 RLMNMQBTAOVRQB-XMMPIXPASA-N 421.544 5.549 0 40 HKAB Cc1nc(COc2ccc(CN[C@H](CC(C)C)c3nc4ccccc4[nH]3)cc2)cs1 78869825 LNWJIVKZQIPCCA-HSZRJFAPSA-N 420.582 5.784 0 40 HKAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 84064626 IDRXVHCHVZQLQS-INIZCTEOSA-N 411.958 5.028 0 40 HKAB CC1(C)CC2=NN(c3ccccc3)[P@@](=O)(Nc3ccccc3)C2=C(N2CCCC2)C1 95351616 BMYKCFZOGAYVIL-PMERELPUSA-N 420.497 6.295 0 40 HKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)C1 102149137 IULAWTXHLODYBF-YEJXKQKISA-N 423.937 5.278 0 40 HKAB CCN(CC)CCCC(=O)CC(=O)c1cc(-c2ccccc2)nc2cc(Cl)ccc12 104321000 JHRYPRLWOXTSGN-UHFFFAOYSA-N 422.956 5.819 0 40 HKAB COc1ccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 107027867 CHHKZMOYHLQWGZ-UHFFFAOYSA-N 416.290 5.788 0 40 HKAB CC(C)(c1ccccc1)c1ccc2c(c1)Cc1cc(C(C)(C)c3ccccc3)ccc1-2 218035534 MWNTZMGXHKFEPS-UHFFFAOYSA-N 402.581 7.910 0 40 HKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C 224233528 WELPFTNGCUKYAX-RUZDIDTESA-N 420.597 5.021 0 40 HKAB Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)cc1C 224694871 IWMYXASOAXLUAK-JOCHJYFZSA-N 420.597 5.021 0 40 HKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCc2ccccc2Cl)cc1 224877508 AZXZCOLEJUXZMB-UHFFFAOYSA-N 421.802 6.070 0 40 HKAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)N[C@@H](C)c2ccc(Cl)cc2)n1 225205470 ZAOWBWMKKBZTCM-ZDUSSCGKSA-N 415.925 5.369 0 40 HKAB CCOc1ccc(CNC(=S)Nc2ccc(Br)c(C)c2)cc1OCC 225528075 YYWHMULWMQSCDR-UHFFFAOYSA-N 423.376 5.042 0 40 HKAB CCCOc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C 225530170 LGJLWVGQFBJPLC-UHFFFAOYSA-N 420.380 6.850 0 40 HKAB O=C(NCc1cccnc1-c1ccsc1)c1cc(Br)ccc1Cl 225646579 UHKXXBMILPZHPE-UHFFFAOYSA-N 407.720 5.156 0 40 HKAB COc1ccc(NC(=S)NC2(c3ccc(OC)c(OC)c3)CCCC2)cc1Cl 225853562 SPUXOKJWXLXZJX-UHFFFAOYSA-N 420.962 5.122 0 40 HKAB S=C(Nc1ccc(Br)c(Cl)c1)NC1(c2ccccc2)CCCC1 225859667 NZKMNAAQRNDCQK-UHFFFAOYSA-N 409.780 5.858 0 40 HKAB O=C1c2ccccc2CN1c1ccc2nc(-c3cccc(Br)c3)oc2c1 226287005 DBFAYCNIZZALPX-UHFFFAOYSA-N 405.251 5.418 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4cccc(Cl)c4C)o3)N21 260784296 VQNNUKFXRYRTJM-YDFBLROQSA-N 423.969 6.283 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OCC)c2)CCC[C@H](C)C1 260838323 QYDMAFWGCGQNJD-HOOSLVGPSA-N 419.562 5.355 0 40 HKAB O=C(Nc1ccc2ccccc2c1)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 408697865 MAXZRIXJNUVRDQ-UHFFFAOYSA-N 408.436 5.479 0 40 HKAB O=C(Nc1ccccc1F)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 408698766 PHNYPFYSQQEQKM-UHFFFAOYSA-N 410.811 5.118 0 40 HKAB Cc1cccc(CSc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c1 408750382 MDWGFXULHADRQG-HDICACEKSA-N 422.575 5.577 0 40 HKAB COc1ccc(-n2c(SCc3ccc(C)cc3)nnc2-c2ccc(Cl)cc2)cc1 409086482 DUUAUIXBDGGMBV-UHFFFAOYSA-N 421.953 6.197 0 40 HKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccccc2)cc1C 409102925 FUDRURRLDDGMKL-UHFFFAOYSA-N 413.546 5.450 0 40 HKAB CCCCCN1C(=O)S/C(=C\c2c(OCC)ccc3ccc(OCC)cc23)C1=O 409216377 KNRLYWRXYUBYSV-QNGOZBTKSA-N 413.539 5.864 0 40 HKAB O[C@@]1(COc2ccc(Cl)c(Cl)c2)CCCN(Cc2ccc3[nH]ccc3c2)CC1 585271154 SCFNIKPWFNSFDL-QFIPXVFZSA-N 419.352 5.271 0 40 HKAB O=C(Nc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)cc1)c1ccco1 644187 PKKGPSINZFMZBG-UHFFFAOYSA-N 409.656 5.744 0 40 HKAB Cc1cccc(NC(=O)c2cc(N3C(=O)c4ccccc4C3=O)ccc2Cl)c1C 705335 BXTYFJLAABWVBH-UHFFFAOYSA-N 404.853 5.010 0 40 HKAB CCOC(=O)c1nn(-c2ccccc2C)c(-c2ccccc2)c1C(=O)c1ccccc1 1016753 FHDMSRQRGAUBFK-UHFFFAOYSA-N 410.473 5.255 0 40 HKAB CC(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)c(C(F)(F)F)oc2c1C 1156177 MKJYVWLIVCGHKC-UHFFFAOYSA-N 419.380 5.322 0 40 HKAB Cc1cccn2cc(-c3cccc(NC(=O)c4cccc(Br)c4)c3)nc12 2199872 YUYOCXNXOUOXFT-UHFFFAOYSA-N 406.283 5.325 0 40 HKAB CCCOc1cccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)c1 2207496 KFLUKEMBARGZPQ-UHFFFAOYSA-N 410.521 5.615 0 40 HKAB Brc1cccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)c1 2236474 BHRKVRFCNRSCSH-UHFFFAOYSA-N 423.339 5.384 0 40 HKAB Cc1cc(C)cc(-n2c(N)c(C(=O)Nc3ccccc3)c3nc4ccccc4nc32)c1 2327523 UBYRTLFQJUKUHS-UHFFFAOYSA-N 407.477 5.025 0 40 HKAB Cc1ccc([C@@H]2[C@@H](Oc3ccc(Cl)cc3C)C(=O)N2c2ccc(C)c(C)c2)cc1 2758773 LJUFFDDCMJSJNZ-DNQXCXABSA-N 405.925 6.109 0 40 HKAB C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)C(=O)N(C)c1ccccc1 3360102 LGYUZFUZFNWAFU-SFHVURJKSA-N 414.534 5.078 0 40 HKAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NCCC1=CCCCC1 3403269 FLHMFGZJNOGTOX-UHFFFAOYSA-N 424.595 5.095 0 40 HKAB Fc1ccccc1CSc1nc2ccccc2nc1SCc1ccccc1F 3666855 QUYDPDDJZSHCAI-UHFFFAOYSA-N 410.514 6.493 0 40 HKAB Cc1c(S(=O)(=O)c2ccccc2)c(-n2c(C)ccc2C)n(C2CCCCC2)c1C 4038074 RDDGTDPYAGJFAU-UHFFFAOYSA-N 410.583 5.850 0 40 HKAB CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 4056151 SZZFXLQJFKZXKD-FPTDNZKUSA-N 421.368 6.123 0 40 HKAB Cc1ccc(CNC(=O)/C=C/c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 4085220 WGTZRMBVIBBNIL-SDNWHVSQSA-N 409.888 5.696 0 40 HKAB Cc1cc2cccc(C)c2nc1SCC(=O)N(C1CCCCC1)C1CCCCC1 4167434 CJFVXTTXFFIFJG-UHFFFAOYSA-N 410.627 6.438 0 40 HKAB COc1ccc(-c2csc(NC(=O)Cc3cccc4ccccc34)n2)c(OC)c1 4173557 DOKDEMPJZYMKFS-UHFFFAOYSA-N 404.491 5.162 0 40 HKAB CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O 4385058 OYFYDCXOCCIANZ-FQEVSTJZSA-N 411.505 5.004 0 40 HKAB COc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccc(Cl)cc2)ccc1O 4733488 SGKPVPAAKIBNKZ-UHFFFAOYSA-N 400.265 5.766 0 40 HKAB O=C(Nc1ccccc1F)N1CCn2cccc2[C@@H]1c1ccc(Br)cc1 4854386 MFJJMZXVGONUNH-IBGZPJMESA-N 414.278 5.027 0 40 HKAB Cc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(Br)cc4)c3c2c1 4969918 NIJPFHOYKWFBIN-UHFFFAOYSA-N 414.306 6.312 0 40 HKAB CC(C)(C)C1=NN(c2nc(-c3ccc(Cl)cc3)cs2)[C@@](O)(C(F)(F)F)C1 5243167 GPZXUDZTGMBTFC-INIZCTEOSA-N 403.857 5.327 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(c1ccc(C)cc1)C(=O)C2 5541442 HNDGWFUTBQILAB-XMMPIXPASA-N 407.897 5.344 0 40 HKAB CN(C)c1ccc([C@@H](CNC(=O)CCc2ccccc2)c2c[nH]c3ccccc23)cc1 5689675 RMUJUVOHHQAFFB-XMMPIXPASA-N 411.549 5.115 0 40 HKAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nc2ccccc2n1CCc1ccccc1 5827887 QXMTYPJEYFVPQE-TZIWHRDSSA-N 421.610 5.551 0 40 HKAB Clc1ccc(-c2csc(N(CCc3ccccc3)CCc3ccccc3)n2)cc1 5946865 WZONOPMIKKPRJP-UHFFFAOYSA-N 418.993 6.755 0 40 HKAB Cc1ccc(-c2nc(C(=O)NCCc3ccccc3)cc3c2[nH]c2ccccc23)cc1 6088004 DRWBBKSJQOEQRC-UHFFFAOYSA-N 405.501 5.664 0 40 HKAB biogenic CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 6942812 XGBOSIUDLDZYIC-UHFFFAOYSA-N 408.929 5.840 0 40 HKAB CCN(CC)C(=O)[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1 7074037 CGIZYMMBCBJDPV-KRWDZBQOSA-N 419.472 5.350 0 40 HKAB O=C(CSc1ccc2ccccc2n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 7199781 HZYIILGPMPILHU-QGZVFWFLSA-N 419.575 5.343 0 40 HKAB CSc1nc(C)c(CCC(=O)Nc2nc(-c3ccccc3Cl)cs2)c(C)n1 7989449 WQMPYKWYOSEMQF-UHFFFAOYSA-N 418.975 5.164 0 40 HKAB CCOc1ccc2ccccc2c1CN[C@H](CCSC)c1nc2ccccc2[nH]1 8345239 VMTVOQFIRXSBIE-JOCHJYFZSA-N 405.567 5.699 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c(C)c1 8492391 RGRVSUKQWWMIFH-OAHLLOKOSA-N 412.382 5.427 0 40 HKAB CCCCn1c(S[C@@H](C(N)=O)c2ccccc2)nc2cc(C(F)(F)F)ccc21 11251388 JWWKOADLODSOKT-QGZVFWFLSA-N 407.461 5.174 0 40 HKAB CCCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)cc1 12062908 AKORIYZAKHZVKA-JOCHJYFZSA-N 405.494 5.236 0 40 HKAB Cc1cccc(Nc2nnc(SCc3csc(-c4ccccn4)n3)s2)c1C 12263651 JKMWBEJJWDODRP-UHFFFAOYSA-N 411.581 5.709 0 40 HKAB Cc1cccc(C)c1OCc1nnc(SCc2cccnc2)n1-c1ccccc1 12540582 PQYPGVLLUHWNJH-UHFFFAOYSA-N 402.523 5.150 0 40 HKAB Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3ccc(Br)cc3)cc2)cs1 12765806 VAMGHHBELOGPQG-GFCCVEGCSA-N 416.344 5.320 0 40 HKAB CCOc1cc(/C=C/C(=O)Nc2c(C)cccc2CC)ccc1OCc1ccccc1 13038537 SFYPNHXIEILQHD-BMRADRMJSA-N 415.533 6.187 0 40 HKAB COCc1nn2c3c(cnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](c1cccs1)C3 13638365 KEDHLWPANRBHHL-CQSZACIVSA-N 423.925 5.170 0 40 HKAB Cc1ccccc1[C@@H](C)NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 14061021 GFQHLHSONKGGRI-HXUWFJFHSA-N 410.517 6.127 0 40 HKAB CCCCOc1ccc(-c2c/c(=N\[C@H](C(=O)O)C(C)C)c3cc(C)ccc3o2)cc1 15912687 PRZUPWZIZZLTDO-TXNNXSEXSA-N 407.510 5.597 0 40 HKAB O=C(Nc1cccc(Cl)c1)Nc1cccc(NC(=O)Nc2cccc(Cl)c2)n1 16399001 VYVXPIGNSCDMRE-UHFFFAOYSA-N 416.268 5.676 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1Cl 17087491 KHUGUPCDKUVZQS-FNORWQNLSA-N 406.696 6.867 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(Br)cc1F 20108312 HSWDZAAMNKVJFV-UHFFFAOYSA-N 423.134 5.767 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4ccc(CO)o4)c3)o2)cc1Cl 20140327 LKWCYPCOWZOCPL-UHFFFAOYSA-N 407.853 5.913 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 20414428 UPKBUMXXVGBQEV-UHFFFAOYSA-N 402.519 6.313 0 40 HKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1 20611210 JETHYQTWFANTRF-UHFFFAOYSA-N 404.901 5.126 0 40 HKAB Cc1cccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)c1 21882559 RKNLTTVKSNAIOY-OAHLLOKOSA-N 423.582 5.015 0 40 HKAB O=C(CSCc1cccc(Cl)c1)Nc1nnc(SCc2ccccc2)s1 21954000 TYBKYYXHFAIKPL-UHFFFAOYSA-N 422.000 5.356 0 40 HKAB CCn1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(=O)c2cc(C)ccc21 22234656 MYJMQJBBJBCYJF-UHFFFAOYSA-N 412.489 5.161 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](N[C@@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 25051849 YFUWMMQZPSFPDI-HFZDXXHNSA-N 424.548 5.520 0 40 HKAB c1ccc(-c2csc3nc(CN4CCOCC4)nc(NC4CCCCCC4)c23)cc1 25392644 CQPUTVYCWJJCCC-UHFFFAOYSA-N 422.598 5.325 0 40 HKAB CC(=O)c1cc(Cl)ccc1OCc1nnc(-c2c(-c3ccccc3)noc2C)o1 31638865 CUYRZYKEWZBVSX-UHFFFAOYSA-N 409.829 5.135 0 40 HKAB O=C(Nc1cc(Br)c(O)c(Br)c1)c1cccc2ccccc12 32116755 CYGAXAFGMOWRHA-UHFFFAOYSA-N 421.088 5.323 0 40 HKAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cccc(Cl)c3)c12 36613280 ZUEYZAINGUMSRP-UHFFFAOYSA-N 416.912 5.571 0 40 HKAB CCc1cc(C(=O)Nc2ccccc2F)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 36621715 RHWBGSPLICWZHU-UHFFFAOYSA-N 418.447 5.391 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccccc4)s3)c2)cc1 39766836 ZDNARLCTNVNOSA-UHFFFAOYSA-N 414.490 5.018 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@@](C)(Cc2nc3ccccc3s2)c2ccccc2)c1 43765218 IMQAYHHBXJYFIQ-VWLOTQADSA-N 414.530 5.638 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 57317029 ONOYCIJNKLDIJK-LHHJGKSTSA-N 424.338 6.162 0 40 HKAB COC(=O)c1c(NC(=O)/C=C/c2cc3ccc(C)cc3o2)sc2c1CC[C@@H](C)C2 67339794 WMGJHMPWGYQOPZ-RCQQVGEISA-N 409.507 5.366 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2N(C)c2ccccc2)cc1 72214296 MJRYNGIFHAFBNR-HSZRJFAPSA-N 421.566 5.074 0 40 HKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1Cc1ccccc1 72215273 ZUWCYXVWOUHCCO-OFNKIYASSA-N 423.601 6.349 0 40 HKAB CC(=O)Nc1ccc(CN2CCC[C@H](c3cccc(Cc4ccccc4F)n3)C2)cc1 72349936 ICYJKOOMTDJHQN-QFIPXVFZSA-N 417.528 5.150 0 40 HKAB Cc1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3nn(-c4ccccc4)c(O)c32)cc1 101812356 VTWIZXSNNGFUPC-FQEVSTJZSA-N 405.457 5.435 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]4CC[C@@H]3C4)c2C(=O)OC)C1 102024660 VCKNNLPQBAONOU-ANQUJSFKSA-N 403.588 5.451 0 40 HKAB CC(=O)OC[C@@H](OC(C)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118924926 RZMRLFZKLOVKNA-XHJVUWHGSA-N 404.591 5.530 0 40 HKAB O=C(Nc1ccc(OC2CCCC2)cc1)c1cc(Cl)ccc1OCc1ccccc1 219771071 DUGLGVCKQJTBDL-UHFFFAOYSA-N 421.924 6.493 0 40 HKAB COc1cc(C)c(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1C(C)C 222660103 WHBGKJNGWKFMBL-UHFFFAOYSA-N 403.544 5.249 0 40 HKAB C[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc2c(c1)OCCO2 222721707 MHAIPFPSQLXMPD-INIZCTEOSA-N 423.896 5.181 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 222904754 INYQWAUGAJXVQL-SANMLTNESA-N 415.577 6.371 0 40 HKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 223135316 XKCFMZMPYQYKND-QFIPXVFZSA-N 422.613 5.385 0 40 HKAB COc1ccc(NC(=S)NCCSCc2cccc(Cl)c2)cc1Cl 225299185 BWFQREGZFZFGFG-UHFFFAOYSA-N 401.384 5.222 0 40 HKAB Cc1ccc([C@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1C 225706503 GLSCCRDPPTWEQQ-IBGZPJMESA-N 406.620 6.643 0 40 HKAB O=C1c2ccccc2CN1c1ccc2nc(-c3ccc(-c4ccccc4)cc3)oc2c1 226286897 VEKYBPXRZNLIPS-UHFFFAOYSA-N 402.453 6.322 0 40 HKAB COc1ccc(-c2ccc(C(=O)Nc3ccc(N)cc3Br)o2)cc1Cl 227157631 VPYOYEJWKJWVFK-UHFFFAOYSA-N 421.678 5.206 0 40 HKAB CCCC(=O)N[C@@]1(C)C[C@@H](c2cccc(Br)c2O)O[C@H]2C[C@@H](C)CC[C@@H]21 257262269 LKTDAQDOINERTM-KBBVGDAESA-N 424.379 5.096 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1F 408556976 MALPTIVBWITYMJ-UHFFFAOYSA-N 414.864 5.117 0 40 HKAB Cc1cc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)ccc1Br 408621087 NPEQLKDRVSCLSA-UHFFFAOYSA-N 408.654 6.062 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(Cl)cc2)cc1 408695859 UCEXQSMUESNGQH-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB CCCc1sc(Nc2ccc(Cl)cc2Cl)nc1-c1ccc(OC)c(OC)c1 408757158 VBFMCVOQMDSBPM-UHFFFAOYSA-N 423.365 6.830 0 40 HKAB C[C@@H](SCc1ccccc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 408924967 QXKCPSKYLSIXOA-CQSZACIVSA-N 414.423 5.665 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)cc1C 409007825 SOUFCQUTQPHGDR-UHFFFAOYSA-N 419.506 5.149 0 40 HKAB Cc1ccc(COc2ccc(CNc3ccc(C)cc3C)cc2Br)cc1 409114420 HMYUGJMKQPNJND-UHFFFAOYSA-N 410.355 6.565 0 40 HKAB Brc1ccc(NCc2ccccc2OCc2cccc3ccccc23)cc1 409195706 KGNSRGZIYHFMEB-UHFFFAOYSA-N 418.334 6.793 0 40 HKAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)c1 409351958 ZTPHAEFSBPVRGL-UDWIEESQSA-N 408.523 5.102 0 40 HKAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 409356632 GTLJPKBWTGOZMO-UNOMPAQXSA-N 415.898 5.048 0 40 HKAB O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)Nc1ccccc1C(F)(F)F 575619289 JLNJNWJFSYMTOK-UHFFFAOYSA-N 400.404 5.549 0 40 HKAB CCN(C(=O)c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)cs1 932764 GIFDGQGBQWIILU-UHFFFAOYSA-N 421.747 5.893 0 40 HKAB CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)c1cccs1 938638 STFXRFIFPLNKGS-UHFFFAOYSA-N 401.509 5.304 0 40 HKAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccco1)c1ccccc1Cl 1380203 CBYXORSFJIKKID-JOCHJYFZSA-N 422.912 5.380 0 40 HKAB NC(=O)c1cccc(COc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)c1 1398626 NLNCESZQAJPXDI-UHFFFAOYSA-N 420.818 5.023 0 40 HKAB Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)c4ccccc4)sc3c2)c1 2369721 NHDHPKIUXNZMPP-UHFFFAOYSA-N 418.543 5.832 0 40 HKAB COc1ccccc1CNc1nc2c(-c3ccc(Cl)cc3)nnn2c2ccccc12 2688958 GPARLHJAGISBJT-UHFFFAOYSA-N 415.884 5.219 0 40 HKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nc4c(s3)C[C@H](C)CC4)cc12 3182731 QKDCQTAFWJCWOP-GFCCVEGCSA-N 408.552 5.229 0 40 HKAB Cc1cccc(N2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)C[C@@H]2C)c1 3328467 ZNZDIZYDURTYEL-FQEVSTJZSA-N 417.578 5.695 0 40 HKAB O=S(=O)(c1ccccc1)N(Cc1cccc2ccccc12)c1cccc2cccnc12 3376123 CCTKMAVBSMFLRB-UHFFFAOYSA-N 424.525 5.784 0 40 HKAB C[C@@H](Sc1ncnc2sccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3430000 ABNDNPJZDKIJQS-MRVPVSSYSA-N 417.865 5.483 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)[nH]c(C=O)c1Cc1ccc(Cl)c(Cl)c1 3491324 PSSPITAXGZQYQL-UHFFFAOYSA-N 402.277 5.569 0 40 HKAB CCc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CCCC2)cc1 4240714 AFWUQTPGJDEQBG-QHCPKHFHSA-N 408.542 5.027 0 40 HKAB CCCCOc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 4375352 KFJWLVOAABBASP-UHFFFAOYSA-N 414.958 5.615 0 40 HKAB Cc1nc2ccccc2c(Nc2ccc(Nc3ccccc3)cc2)c1CN1CCCCC1 4425988 IPFWLUVUWIAECJ-UHFFFAOYSA-N 422.576 7.016 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 4566568 JWMPBGQBPWJPNK-UHFFFAOYSA-N 403.566 6.586 0 40 HKAB Cc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(F)cc23)Cc2ccco2)c1 4920463 UPMNHLLBBFOHCG-UHFFFAOYSA-N 421.541 5.959 0 40 HKAB COc1cc(OC)cc(-c2nnc(SCc3csc(-c4ccccc4)n3)o2)c1 4928083 SBPACSCXKMPQHK-UHFFFAOYSA-N 411.508 5.170 0 40 HKAB Cc1ccc(C2=NN(C(=O)CSc3nc4ccccc4o3)[C@H](c3ccco3)C2)cc1 5034205 CKPYBXPIUZPYQJ-IBGZPJMESA-N 417.490 5.199 0 40 HKAB Cc1oc2cc(OCC(=O)N[C@H](C)c3ccccc3)ccc2c(=O)c1-c1ccccc1 5497870 QOSSDWUZJCESQV-QGZVFWFLSA-N 413.473 5.025 0 40 HKAB CCc1ccc(NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1 5877641 HJEWZVLPWUINLB-UHFFFAOYSA-N 401.582 5.124 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)COc1cc(C)c(Cl)c(C)c1 6243028 LGIZXINFAREGQA-CYBMUJFWSA-N 404.963 5.362 0 40 HKAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1 6426379 IFGOIZPBJXAWEI-AREMUKBSSA-N 420.512 5.333 0 40 HKAB Cc1nnc(S/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)C(=O)O)[nH]1 6588214 XQFWAADGEBTFEI-BKUYFWCQSA-N 417.490 5.063 0 40 HKAB C[C@@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2ccccc2o1 6653495 XICHHYQOHIXARU-SNVBAGLBSA-N 402.290 6.388 0 40 HKAB COc1cc(-c2c(Nc3ccccc3)oc3cc(C)oc(=O)c23)cc(OC)c1OC 6669609 IURKGQLSKNDSFC-UHFFFAOYSA-N 407.422 5.131 0 40 HKAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1[C@@H](C)c1ccccc1 7904579 CGDZBENKYIGFDI-INIZCTEOSA-N 420.582 5.493 0 40 HKAB COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1Cl 8590619 RNVNSGWBFLPBTK-UHFFFAOYSA-N 408.910 6.186 0 40 HKAB Cc1ccc(S(=O)(=O)c2cnn(-c3ccccc3)c2-c2ccc(Cl)cc2)cc1C 8836388 UXIHASCLIOXSCR-UHFFFAOYSA-N 422.937 5.642 0 40 HKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 9087213 SAOFLGINTDYAGR-YVLHZVERSA-N 418.663 6.251 0 40 HKAB COc1ccc(-c2noc(CN(C(=O)Nc3ccc(C)cc3)C3CCCCC3)n2)cc1 9190820 RMBBJZXXCNOPPX-UHFFFAOYSA-N 420.513 5.420 0 40 HKAB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(C)c2)cc1 9288278 JMBVGAJRCYXPKZ-DEOSSOPVSA-N 424.504 5.281 0 40 HKAB COc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccc(C)c2)cc1 9360114 HTCADQCTRDJAMG-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1Cl 9846271 NFFVWAKMKWFSMS-UHFFFAOYSA-N 422.868 5.726 0 40 HKAB CCCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)cc1 12062907 AKORIYZAKHZVKA-QFIPXVFZSA-N 405.494 5.236 0 40 HKAB CCCCCCSc1nc(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1C 12436667 AUSDOAQFHIBDDO-UHFFFAOYSA-N 408.567 5.510 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1sc2ccccc2c1Cl 12587327 DFNSITKSPHEKCV-FMKPAKJESA-N 408.947 5.716 0 40 HKAB C[C@@H]1c2cccn2CCN1Cc1nc(O)c2sc(-c3ccc(Cl)cc3)cc2n1 12742170 FGZNSAVQGVESQP-CYBMUJFWSA-N 410.930 5.096 0 40 HKAB Cc1ccccc1N(Cc1coc(-c2ccccc2)n1)S(=O)(=O)c1ccccc1 13018065 FHKRWLYHMDZMDL-UHFFFAOYSA-N 404.491 5.046 0 40 HKAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1cccc(C(F)(F)F)c1 13694913 AHWSRZBCCFNKEZ-UHFFFAOYSA-N 416.424 5.222 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1N1CCCCC1 17087629 AKWHLJDKTUGUQL-UHFFFAOYSA-N 407.341 5.780 0 40 HKAB COc1ccccc1/C=C/c1cc(-c2ccccc2OC)nc2cc3c(cc12)OCO3 18197262 PLMSPPDGHUARLW-VAWYXSNFSA-N 411.457 5.818 0 40 HKAB COc1ccc(CCN(Cc2ccncc2)Cc2[nH]c3ccccc3c2C)cc1OC 19565867 JFQFSIJVLCIEFX-UHFFFAOYSA-N 415.537 5.133 0 40 HKAB CCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccccc1Cl)C3 20391868 IQHRUVPMKWDRFX-UHFFFAOYSA-N 404.293 5.404 0 40 HKAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccccc1 21305598 WSVQDQWFUKXWNR-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB Cc1cccc(C)c1NC(=O)Cn1cnc2c(-c3ccc(Cl)cc3)csc2c1=O 23126781 ZMQYGDPUTLOYFL-UHFFFAOYSA-N 423.925 5.034 0 40 HKAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 28288551 AGGAOSLPXBGHFX-INIZCTEOSA-N 414.958 5.207 0 40 HKAB O=C1CSc2ccccc2N1C(=S)N1c2ccccc2Sc2ccccc21 28527518 LZDBBRIVIIPTMK-UHFFFAOYSA-N 406.557 5.713 0 40 HKAB O=C(/C=C/c1sc2ccccc2c1Cl)Nc1cccc(CN2CCCC2=O)c1 29290711 VXRPWAHEURGMRE-ZHACJKMWSA-N 410.926 5.329 0 40 HKAB Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccc2)cc1 30862907 SAODBYZRWLWOBB-DVECYGJZSA-N 407.941 5.938 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)n2)cc1 32578459 UWMXQWYKYCFCCI-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCc1cccc(C(F)(F)F)c1 32879123 FILLWJOIBHUKDY-UHFFFAOYSA-N 408.807 5.263 0 40 HKAB O=C(NC1CCCCC1)c1cc(-c2ccccc2)n(-c2nc3ccccc3s2)n1 33435890 XITVDKIXXBQGIP-UHFFFAOYSA-N 402.523 5.212 0 40 HKAB COc1cc(C(=S)N2CCCC2)c(Br)cc1OCc1ccc(C)cc1 33654539 CMJZPGQPNFWBCV-UHFFFAOYSA-N 420.372 5.116 0 40 HKAB O=C(O)c1cc(OCc2ccccc2)c(Br)c(OCc2ccccc2)c1 34105393 JCAIWNXWTXXJAE-UHFFFAOYSA-N 413.267 5.305 0 40 HKAB Cc1cc(OCc2nc3ccccc3n2CC(=O)Nc2ccccc2)ccc1Cl 40301063 KOPPOKHXOZHBSZ-UHFFFAOYSA-N 405.885 5.216 0 40 HKAB O=c1cc(-c2cccc(Cl)c2)nc2n(Cc3cccc(F)c3)c3ccccc3n12 40484759 UFOFCIUXKREPSS-UHFFFAOYSA-N 403.844 5.157 0 40 HKAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC(F)(F)F)cc1 49005539 GCRLLPFMDRTJMS-UHFFFAOYSA-N 418.419 5.062 0 40 HKAB CCOC(=O)CC1=CC(SCc2ccc(OC)c(F)c2)=Nc2ccccc2N1 49421646 JCJXMOKOOARKKM-UHFFFAOYSA-N 400.475 5.060 0 40 HKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(Cl)c1N1CCCC1 57315895 QQYHIPCILWOZIV-UHFFFAOYSA-N 414.977 6.034 0 40 HKAB O=C(c1cnc2ccc(F)cc2c1NCc1ccc(F)c(Cl)c1)N1CCCC1 67288258 DHFHQTKXDOPKMB-UHFFFAOYSA-N 401.844 5.015 0 40 HKAB CCc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)cc1 67293142 QZCSAAQPUKHPED-RWEWTDSWSA-N 406.869 5.404 0 40 HKAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cc(Cl)ccc3C)oc12 67299112 BQFXPNDTOPFORO-RWEWTDSWSA-N 422.868 5.159 0 40 HKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1)C1CC1 72215351 PLVZVPDNCJKAIT-SFHVURJKSA-N 417.550 5.448 0 40 HKAB O=C(Cc1csc(-c2cccs2)n1)N1CCCC[C@H]1c1nc2ccccc2o1 79111208 SGZCUHVAICYMJM-INIZCTEOSA-N 409.536 5.309 0 40 HKAB CC(C)=CCC/C(C)=C\CC[C@@H](C)/C=C/C/C=C(\C)CC/C=C(\C)CCC=C(C)C 79669981 CVBNQINTXMPDEE-PALXXKFHSA-N 410.730 10.461 0 40 HKAB Cc1ccc(CN2CCC3(CC2)C(=O)N(Cc2ccccc2)c2ccccc23)s1 96052531 KIPRAKDQZMSQKY-UHFFFAOYSA-N 402.563 5.137 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)NCC56CC7CC(CC(C7)C5)C6)(C4)C2)C3)cc1 100495891 JBOZESARKKAUMK-CHOFGPDESA-N 417.637 6.166 0 40 HKAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccccc1 101003504 DNSLOEAIBOMUHM-CNXCYTMISA-N 403.481 5.110 0 40 HKAB CCCOc1ccc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1OC 102482985 RLTAQGGXOWFWBX-DEOSSOPVSA-N 406.526 6.355 0 40 HKAB OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@@H]2c2cccc3ccccc23)CCC1 102615208 WSJUBIBMZDECMF-JOCHJYFZSA-N 407.473 5.945 0 40 HKAB CC(=O)O[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118927137 IZBSXDTURZCMRK-SSBKWMMISA-N 404.591 5.529 0 40 HKAB CC1=CO[C@@]2(CC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 118936399 WKIREOBBYBNDMP-WTTKTYKRSA-N 414.630 6.062 0 40 HKAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CN2CCCc3ccccc32)cc1 216339830 HPWQAFUBHUQOMW-UHFFFAOYSA-N 404.941 5.565 0 40 HKAB Fc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1 224175500 NJWXYRWPZMCGOL-XZOQPEGZSA-N 414.509 5.189 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 224214755 UZDYNFOCDDCMID-BJKOFHAPSA-N 411.530 5.827 0 40 HKAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(C)cc3)c2)cc1 224339423 LAGLXFHDYBENIG-UHFFFAOYSA-N 421.518 5.335 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1CSc1ccccc1 224651049 ZSXBETBMDZNKES-UHFFFAOYSA-N 405.563 6.753 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1nnc(SCc2ccccc2)s1 225381665 WBJZUJWHMGHPQO-UHFFFAOYSA-N 424.378 5.709 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(-c3ccc(C)cc3Br)o2)c(N)c1 226348491 MMQPOWHYCDDIOK-UHFFFAOYSA-N 415.287 5.251 0 40 HKAB CCC(=O)N[C@@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2ccc(Cl)cc2F)C1 257203542 AQNIYZGLTORODG-ZVDOUQERSA-N 410.316 6.010 0 40 HKAB COc1ccccc1-c1cc(-c2cc(C(=O)O)ccc2OCC(C)C)nn1CC(C)C 257256366 KLCNFXXHBSHBPP-UHFFFAOYSA-N 422.525 5.615 0 40 HKAB Cc1cccc(CNC(=S)c2ccccc2OCc2ccc(Cl)c(Cl)c2)c1 408572445 HAVJOFWVEVGZST-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB O=C(O)c1cccc(NCc2ccccc2OCc2ccc(Br)cc2)c1 408606427 IRWBHZNVBUBBQX-UHFFFAOYSA-N 412.283 5.338 0 40 HKAB CCCOc1ccc2ccccc2c1/C=C1\S[C](Nc2ccccc2F)NC1=O 408804208 DEMPCFPCFVQYSD-UHFFFAOYSA-N 407.490 5.531 0 40 HKAB Cc1cccc(CSCCNC(=O)CSCc2cccc(Br)c2)c1 408924237 DYEVIBSQJAAPQP-UHFFFAOYSA-N 424.429 5.040 0 40 HKAB Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 409113973 JYAMOELSNQPNFJ-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O)c1ccc(Cl)cc1 409346376 LGPWKWXPVDEPAU-NDENLUEZSA-N 423.877 5.519 0 40 HKAB CCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(COc2ccc(C)c(C)c2)n1 585265387 LSJPRCRYQDGWMS-UHFFFAOYSA-N 411.885 5.695 0 40 HKAB CC[C@H](C)[C@@H](NC(=O)C[C@H](c1ccsc1)n1cccc1)c1nc2ccccc2[nH]1 1565519549 DBCIAKGZKPKXDM-SAWYMBPVSA-N 406.555 5.309 0 40 HKAB CC(C)(C)P1COc2cccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)c21 1772768892 KJXNLTFQUPGVAM-UHFFFAOYSA-N 411.485 7.067 0 40 HKAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C)cc4C)sc3n2)cc1 661529 SMDXRRUGKJJLRT-UHFFFAOYSA-N 403.507 5.423 0 40 HKAB O=C1c2ccccc2N[C@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)c(Cl)c1 841090 UKSZLACEBWNHBE-FQEVSTJZSA-N 413.260 5.493 0 40 HKAB O=C(COc1ccccc1)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1 882063 MAVVBZPOQOLLAW-UHFFFAOYSA-N 400.503 5.422 0 40 HKAB aggregator CC[C@@H]1CCCCN1C(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 901410 FCIYDVYBYIQMOH-GFCCVEGCSA-N 415.506 5.107 0 40 HKAB CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2)nnc1-c1cccc(C)c1 917268 CSZCRJILNSKUDC-AWEZNQCLSA-N 400.935 5.046 0 40 HKAB CCOC(=O)c1c(C)n(C(C)C)c2ccc(OC(=O)c3cccc4ccccc34)cc12 1827292 DKVFXXCZFMWQBE-UHFFFAOYSA-N 415.489 6.080 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 1862744 MTUOJDNOCRCMEK-UHFFFAOYSA-N 409.913 6.447 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)sc2c1 2054924 XVQUKOMYDBNVIW-UHFFFAOYSA-N 413.329 6.831 0 40 HKAB COc1ccc(-c2c(C)oc3cc(OCc4ccccc4C)ccc3c2=O)cc1OC 2152359 CEYBRJQGFFSCNP-UHFFFAOYSA-N 416.473 5.673 0 40 HKAB biogenic O=c1cc(-c2ccc(Br)cc2)cc(-c2ccc(Br)cc2)[nH]1 2583893 RBAOEYJFGUCXNS-UHFFFAOYSA-N 405.089 5.234 0 40 HKAB O=C(CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1)c1ccccc1 2746263 UMIOHPGEXIWAPK-UHFFFAOYSA-N 410.502 5.003 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)CCC4CCCC4)cc3)sc2c1 3300656 CFGNAEVMJKJWFE-UHFFFAOYSA-N 422.550 5.724 0 40 HKAB Cc1ccc(C(=O)[C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2CC(C)C)cc1 3454596 IODTVTBMNSWFMJ-OAHLLOKOSA-N 414.958 5.378 0 40 HKAB COc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]([C@H]4CC[C@@H]2C4)[C@H](c2ccccc2)N3)cc1 4150582 RQVPWBZWWKETMY-NVSNEIARSA-N 424.544 6.244 0 40 HKAB O=C(Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12)c1ccccc1Cl 4267624 PBVLTUMONWTJPZ-UHFFFAOYSA-N 408.816 5.730 0 40 HKAB Fc1ccc(-n2nnnc2-c2cnc3ccc(Cl)cc3c2-c2ccccc2)cc1 4334793 UQSHGHYPMMZSMC-UHFFFAOYSA-N 401.832 5.337 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(OC)ccc2OC)N3)C1 4554582 GNPZGDUCNOJVCQ-RNODOKPDSA-N 414.571 5.735 0 40 HKAB Cc1cccc(NC(=O)c2ccccc2NC(=O)COc2ccc(Cl)cc2)c1C 4761282 RPCXXEGDZJGRFB-UHFFFAOYSA-N 408.885 5.227 0 40 HKAB CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2)o1 5025174 LPUMHZIYGZOLBS-HNNXBMFYSA-N 411.955 5.627 0 40 HKAB O=C(Nc1ccccc1)c1ccccc1[C@@](O)(c1ccccc1)c1ccc(Cl)cc1 5121196 QZLIKSXFDZOARQ-AREMUKBSSA-N 413.904 5.877 0 40 HKAB CCCCCCn1c(S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)nc2ccccc21 5266365 ANPCETPUHQADOK-SFHVURJKSA-N 423.582 5.939 0 40 HKAB Cc1c(CC(=O)NC(C)C)c(=O)oc2c(C)c3occ(-c4ccc(F)cc4)c3cc12 5347197 SNQPXYNKWOXFBY-UHFFFAOYSA-N 407.441 5.029 0 40 HKAB Clc1c(-c2nnc(SCC34CC5CC(CC(C5)C3)C4)o2)sc2ccccc12 6476398 USYRSFJCKFBAIT-UHFFFAOYSA-N 416.999 6.913 0 40 HKAB COc1ccc(C)cc1NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 8075768 QWWHXRNBMLHHBZ-UHFFFAOYSA-N 403.507 5.229 0 40 HKAB CCOc1cc2c(cc1CSc1nnc(-c3cccs3)n1CC)O[C@H](C)C2 8709268 YBZOOUCHJFQNNX-CYBMUJFWSA-N 401.557 5.041 0 40 HKAB CCCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 9233540 OLWPOBZDVXVHOQ-VCHYOVAHSA-N 422.333 6.019 0 40 HKAB O=C(COC(=O)c1cc2c(s1)CCCC2)Nc1ccc(Cl)cc1C(F)(F)F 9632864 JYJLKAVZERCYNQ-UHFFFAOYSA-N 417.836 5.095 0 40 HKAB CCOc1ccc2ncc3c(-c4ccccc4)nn(CC(=O)Nc4ccccc4)c3c2c1 9725222 FMBAWHSRVBEXPP-UHFFFAOYSA-N 422.488 5.289 0 40 HKAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2SCc2c(C)noc2C)cc1 11521856 GFWSWZPANKQRRV-QGZVFWFLSA-N 424.522 5.076 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2nc3ccccc3s2)c1 11914709 YDOJTEMWJRXSAK-UHFFFAOYSA-N 408.910 5.943 0 40 HKAB O=C1S/C(=C\c2c[nH]c3ccccc23)C(=O)N1c1ccc(Cl)c(C(F)(F)F)c1 12275291 CPFMFXDLGKWMRX-APSNUPSMSA-N 422.815 6.081 0 40 HKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cncc(Br)c1 12787813 QSGFBOKGPAZUOP-UHFFFAOYSA-N 410.296 5.373 0 40 HKAB O=C(O[C@@H](c1c(Cl)cccc1Cl)c1nccc2ccccc12)c1ccccc1 12880351 WINZRUPYVLUOKS-QFIPXVFZSA-N 408.284 6.488 0 40 HKAB COc1ccc2cc(CNC(=O)c3ccc(SCc4cscn4)cc3)ccc2c1 12935887 ZNBHWDVFVYYBDZ-UHFFFAOYSA-N 420.559 5.527 0 40 HKAB O=C(c1ccccc1SC[C@@H]1CCCO1)N1CC=C(c2c[nH]c3ccccc23)CC1 12988994 APRSJXXRSIOCMT-IBGZPJMESA-N 418.562 5.369 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccccc1)[C@@H](C)Cc1cccs1 13097167 AIZKHDDPBMYLEV-SFHVURJKSA-N 413.970 5.749 0 40 HKAB c1ccc2c(-c3nnc(SCc4nc(-c5ccsc5)no4)n3C3CC3)c[nH]c2c1 14187093 WZLJMXDYVNRAJO-UHFFFAOYSA-N 420.523 5.165 0 40 HKAB COc1cc(CNCc2ccccc2Cl)ccc1OCc1c(F)cccc1Cl 16196293 KQIPEHVFWJXUGW-UHFFFAOYSA-N 420.311 6.010 0 40 HKAB COP(=O)(OC)c1nc(-c2ccc(C)cc2)oc1NCc1ccccc1Cl 16806292 STTASLDLLFKAFK-UHFFFAOYSA-N 406.806 5.027 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3o2)c1 17091824 YDMCBWBGKIDQEC-UHFFFAOYSA-N 419.481 5.378 0 40 HKAB C[C@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2c2c1c1ccccc1n2Cc1ccccc1 18252153 AONNCUFLRUFGMU-PZGSVQSZSA-N 420.512 5.470 0 40 HKAB Cc1c(Br)c(N)c(Br)c2nc(-c3ccccc3Cl)oc12 20134688 VJRUAJUBIIBIMO-UHFFFAOYSA-N 416.500 5.564 0 40 HKAB Cc1ccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccc(C)cc3)[nH]2)cc1 20182361 BKXQWIVMODVEAJ-UHFFFAOYSA-N 420.563 5.548 0 40 HKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20458586 OSNCOSITLSTMKM-QFIPXVFZSA-N 407.897 5.676 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3cccc(C)c3)nn2-c2ccccc2)cc1OC 21944848 BYAHOVLZJWQGEE-UHFFFAOYSA-N 413.477 5.117 0 40 HKAB COc1ccc2nc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)sc2c1 23330803 ADGIMUCZJPUGCC-UHFFFAOYSA-N 415.927 5.263 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N2CCCCCC2)cc1 27994051 OQNJURCBAIBLKY-QHCPKHFHSA-N 418.581 6.014 0 40 HKAB Cc1ccc2c(C)c(C(=O)NC[C@H](c3ccccc3Cl)N3CCCCCC3)oc2c1 28290148 VOZWALMLEIONQF-JOCHJYFZSA-N 424.972 6.050 0 40 HKAB CCn1c(S[C@H](C)c2nc(-c3ccco3)no2)nnc1-c1ccc(C(C)(C)C)cc1 29739286 XXXMPCNEZBTGIW-CQSZACIVSA-N 423.542 5.759 0 40 HKAB CCCCc1ccc2nc(NC(=O)COc3ccc(C4CCCCC4)cc3)sc2c1 32118565 WLSNTEGACLEYCJ-UHFFFAOYSA-N 422.594 6.704 0 40 HKAB COc1ccc([C@H]2CCCN2C(=O)c2sc(Cc3ccccc3)nc2C)cc1OC 32936505 QLUBECHEWHTMNI-LJQANCHMSA-N 422.550 5.037 0 40 HKAB Cc1cccc(C(=O)Nc2c(C(=O)NCc3cccs3)[nH]c3ccc(C)cc23)c1 33287833 IYFCKYZSEYLTLE-UHFFFAOYSA-N 403.507 5.029 0 40 HKAB CCc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)CC)cc3)C(O)=NC2=S)cc1 33719909 IIKNRAHYCOEQPE-AUQXIXNCSA-N 408.523 5.098 0 40 HKAB CSc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 36398691 BQUMUNVHGDLYFP-FQEVSTJZSA-N 400.594 5.118 0 40 HKAB Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(-c4cnco4)cc3)o2)cc1 40146989 ADGCFOORUXHFQD-UHFFFAOYSA-N 421.456 6.224 0 40 HKAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 44912876 VOLCIMHLHDFNCF-WBVHZDCISA-N 403.353 5.183 0 40 HKAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 45561095 LPHWUOGMNDAHQF-AWEZNQCLSA-N 418.921 5.277 0 40 HKAB O=C(Nc1ccc(Sc2ccccc2Cl)cc1)[C@@H]1CCCN(c2cnccn2)C1 60106485 JYAIAIMTXCPIAQ-MRXNPFEDSA-N 424.957 5.136 0 40 HKAB CCCC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCCO4)=NN12 67321563 RAADUKIDQWFMTD-LEVHZFOFSA-N 418.537 5.688 0 40 HKAB CC(=O)Nc1ccc(CN2CCC[C@H](c3cccc(Cc4cccc(F)c4)n3)C2)cc1 72349942 IMDBENBAJWYEJI-QFIPXVFZSA-N 417.528 5.150 0 40 HKAB O=C(CCc1cccc(Cl)c1)N1CCC[C@H]1c1cccc(Nc2nccs2)n1 72375632 JKIKMZJZANYGDH-SFHVURJKSA-N 412.946 5.231 0 40 HKAB O=C(Nc1ccccc1Cl)C1CN(c2nc3c(C(F)(F)F)cccc3s2)C1 77099687 QQNJACLWYVROFM-UHFFFAOYSA-N 411.836 5.043 0 40 HKAB Cc1nc2c(-c3ccccc3)c(COc3ccccc3)nn2c(O)c1Cc1ccccc1 95483434 AVSFWXJEXQMHJT-UHFFFAOYSA-N 421.500 5.580 0 40 HKAB CCCC/N=C1\S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1CCCC 109597027 OUSWFSPHHVNMMQ-WELATPIXSA-N 416.974 6.473 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C([C@@H](C)OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 118934212 MCTOSEWKAVRIKS-PHXZJUDHSA-N 400.559 5.369 0 40 HKAB COc1ccccc1-c1cc(C(=O)N2CCCC[C@@H](c3ccc(Cl)cc3)C2)[nH]n1 206879691 KMYUXSTUKOVRLS-QGZVFWFLSA-N 409.917 5.149 0 40 HKAB O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1ccccc1Br 214962582 IFRQBDABNSGHOY-CGVLLOTDSA-N 400.297 5.242 0 40 HKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)[C@H]1C[C@@H]1C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 216095828 OKUZYZZYXCUVKO-ZRIWILRFSA-N 406.607 5.631 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)cc1C(C)C 223308087 RDDKSIKFRNDCQE-KRWDZBQOSA-N 401.506 6.517 0 40 HKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C(C)C 224429924 QTYHDENAYPZZJC-VXKWHMMOSA-N 408.546 5.397 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2cccc(CN3CCCCC3)c2)c1 224698821 CTDSEKHDURAVMS-NRFANRHFSA-N 408.586 5.188 0 40 HKAB CCCOC1(C(=O)Nc2cc(C)c(OCc3ccccc3)c(C)c2)CCC(C)CC1 225670163 DVQQNUMVOAEXKR-UHFFFAOYSA-N 409.570 6.196 0 40 HKAB CCOC(=O)c1cc(NC(=S)N[C@H](CC)c2ccc(C)cc2C)ccc1Cl 225716427 TVTXJEKWJBNDGR-LJQANCHMSA-N 404.963 5.571 0 40 HKAB Cc1cc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)ccc1Br 225810283 MNKZNWALDBUUQL-UHFFFAOYSA-N 421.379 5.695 0 40 HKAB CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 255264442 SGNBVLSWZMBQTH-HZYLDEFPSA-N 400.691 7.635 0 40 HKAB biogenic Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)CC3CCCC3)CC2)on1 257233791 GQTGSOXEWJKNEF-MXVIHJGJSA-N 424.589 5.534 0 40 HKAB Fc1ccccc1CN1CCC[C@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 257337756 YUFGHBNCTTUHSN-QHCPKHFHSA-N 414.446 6.167 0 40 HKAB CCc1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1 408622409 QABBDXXUBPUUKG-UHFFFAOYSA-N 402.881 5.644 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 408697380 GVRFIAKPTGYRCO-UHFFFAOYSA-N 424.838 5.427 0 40 HKAB Cc1ccc(Cl)cc1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 409113557 HDFLJBJWJAHPOB-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB O=C1S/C(=C/c2c[nH]c3ccc(Br)cc23)C(=O)N1CC1CCCCC1 409122848 BYYBJCPMVVJDJY-CAOOACKPSA-N 419.344 5.547 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)/C(=C/c2ccco2)c2ccccc2)CC1 409142673 ARSTZUDFSRRKHN-OQKWZONESA-N 406.913 5.131 0 40 HKAB Cc1[nH]c2ccccc2c1[C@H]1C(c2ccccc2)=NN=C(c2ccc(Cl)cc2)N1O 721164 ZWIGUWJWTOFAJQ-QHCPKHFHSA-N 414.896 5.727 0 40 HKAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NC4CCCC4)c(Cl)c3n2)cc1 848616 BWANFLWMZWBWCF-UHFFFAOYSA-N 422.838 5.049 0 40 HKAB Cc1cc(C)cc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c1 919471 MFTCHNAHOWVLKL-WMLDXEAASA-N 404.392 5.006 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1 1004184 PBWNINYGQGRXRW-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB CC(C)CCN1C(=O)N(c2ccccc2)[C@@H](N(O)C(=O)Nc2ccccc2)C1(C)C 1275507 DFYYUCZVDHFAOD-FQEVSTJZSA-N 410.518 5.003 0 40 HKAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(F)cc3)C3CCCC3)cc2c1 1327636 BSOULWUPTNYSKR-UHFFFAOYSA-N 423.488 5.043 0 40 HKAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccccc2Oc2ccccc2)[C@@H]3CCC1 1424185 SBCOQKZYSZWQKU-RUZDIDTESA-N 422.528 6.275 0 40 HKAB O=C(O)c1cc(-c2ccc(-c3cccc(F)c3)o2)nc2ccc(Br)cc12 1790017 MJROLTHTYFGKFV-UHFFFAOYSA-N 412.214 5.762 0 40 HKAB CCOc1ccccc1-c1csc(NC(=O)C(c2ccccc2)c2ccccc2)n1 1791027 FNVQCJROHONMOZ-UHFFFAOYSA-N 414.530 5.979 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C/c1cccc(Cl)c1 1909316 PVXNIRUMROUTCD-VAWYXSNFSA-N 411.910 5.897 0 40 HKAB Fc1cccc(F)c1CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1 2201291 RKYNSWBDQDAWKK-UHFFFAOYSA-N 413.880 6.158 0 40 HKAB Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 2419742 IBTZYDFXLZAQJV-GOSISDBHSA-N 422.893 5.270 0 40 HKAB CSc1nc(NCc2ccccc2)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 2436320 CXYLLEDEGFNUQF-UHFFFAOYSA-N 420.607 6.186 0 40 HKAB COc1ccc(-c2nnc(NC(=O)c3ccc(-c4ccccc4)cc3)s2)c(OC)c1 3227451 MZPPRFUXQXAHHU-UHFFFAOYSA-N 417.490 5.142 0 40 HKAB O=C(Cc1cccs1)N(c1ccccc1)C1(C(=O)NC2CCCCC2)CCCCC1 3626059 ZNIQFNVJPUXSBQ-UHFFFAOYSA-N 424.610 5.476 0 40 HKAB CC(=O)Oc1ccc(Br)cc1/C=C/c1nc2ccccc2nc1Cl 4350814 HPJDVZVIVYHJNK-SOFGYWHQSA-N 403.663 5.141 0 40 HKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1Cl 4851649 RLWWCYVNQZLORH-CYBMUJFWSA-N 400.396 5.524 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc3cc(Br)ccc3c2)c1C 4958653 SSXYIJJPYQEIDM-UHFFFAOYSA-N 400.272 5.012 0 40 HKAB O=C(CSc1nnc2n1CCCCC2)c1c(-c2ccccc2)[nH]c2ccccc12 6097019 AMYIASIVCNGITI-UHFFFAOYSA-N 402.523 5.128 0 40 HKAB Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)s2)c1 6651136 CDTDYTIROYTOCX-JKQORVJESA-N 404.605 5.012 0 40 HKAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(F)cc2Cl)s1 6790183 YUHMRKFIMYWUAY-UHFFFAOYSA-N 408.911 5.113 0 40 HKAB Cc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1Cl 6866162 BHDFWOJDOJIWGS-XKZIYDEJSA-N 403.865 5.572 0 40 HKAB Clc1ccc(-c2csc3ncnc(Oc4ccc(-c5ccccc5)cc4)c23)cc1 7026669 FVOLKDBRKGIRCJ-UHFFFAOYSA-N 414.917 7.471 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)cc2)c1 7882219 IVYXNVUIWSXVJE-QGZVFWFLSA-N 420.896 5.432 0 40 HKAB COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc(Cl)c1O 7884009 NGFTZDRKVZJYKR-QFIPXVFZSA-N 408.885 5.129 0 40 HKAB Cc1ccc(Cn2nc(C)c(C(=O)N3CC=C(c4ccccc4)CC3)c2Cl)cc1 7990598 MBIMRNIXJIFDLT-UHFFFAOYSA-N 405.929 5.131 0 40 HKAB CCc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3Cl)C(C(=O)OC)=C2C)cc1 8085657 UWHSJRXIQFMLMG-ATVHPVEESA-N 416.304 5.433 0 40 HKAB COCc1c(C(=O)N(C)Cc2ccc(OC(F)F)cc2)sc2cccc(F)c12 8131693 QFICGIGSIFNUJX-UHFFFAOYSA-N 409.429 5.060 0 40 HKAB O=C(Nc1ccccc1)c1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 8395423 MTGYJMJNQSVEEW-QHCPKHFHSA-N 414.505 5.047 0 40 HKAB O=S(=O)(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Cl)s1 8864770 JNAPMAWHWUNKKW-UHFFFAOYSA-N 406.941 5.479 0 40 HKAB O=C(/C=C/c1cc2c(cc1Br)OCO2)Oc1ccc(Cl)c(Cl)c1 8873466 WEQMSBYCGORMLY-DAFODLJHSA-N 416.054 5.103 0 40 HKAB Cc1cc(C)c(OCC(=O)Nc2ccccc2-c2nc3ccccc3s2)c(Cl)c1 8920599 XWJOGUZGCRNPPW-UHFFFAOYSA-N 422.937 6.251 0 40 HKAB CCOC(=O)c1sc2nc([C@H](C)Sc3ccc4ccccc4c3)[nH]c(=O)c2c1C 8924553 YGHCHWROWIVQCO-ZDUSSCGKSA-N 424.547 5.476 0 40 HKAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)Nc1ccc(F)cc1Cl 8943973 YULAJQLXMGJKNG-SNVBAGLBSA-N 416.865 5.130 0 40 HKAB COc1cccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc4ccccc4n32)c1 9288296 NYIHPSJNDAQERS-XMMPIXPASA-N 424.504 5.281 0 40 HKAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc2c(Cl)cccc12 9892192 NGCNJZBMUMQATQ-UHFFFAOYSA-N 420.852 5.599 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1cccc(NS(=O)(=O)c2ccccc2)c1 10329162 VXZNAHXCYRPPTC-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc(N2CCCCC2)cc1 11329563 AMJGUQBVBQKFJF-UHFFFAOYSA-N 411.452 5.181 0 40 HKAB COc1ccccc1NC(=O)Cn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21 11695946 NSOFWYMYPTZANY-UHFFFAOYSA-N 424.460 5.006 0 40 HKAB CCc1nc2sc(C(=O)Nc3ccc(Cl)cc3Cl)c(N)c2c2c1CCCC2 12139491 LJOPXWSXOUMQCU-UHFFFAOYSA-N 420.365 5.879 0 40 HKAB C[C@H](Nc1ncc(-c2cccs2)c(-c2nccs2)n1)c1ccc2c(c1)OCCO2 12220844 JDWXQOZZSBDLGQ-ZDUSSCGKSA-N 422.535 5.273 0 40 HKAB Cc1cc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nc2ccccc12 12650974 MTFDZSANNWMCLJ-UONOGXRCSA-N 419.377 6.208 0 40 HKAB Cc1cc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)nc2ccccc12 12650982 MTFDZSANNWMCLJ-KBPBESRZSA-N 419.377 6.208 0 40 HKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cccc(C(C)=O)c2)cc1 12915488 ZXMHAXWGKSDLSZ-UHFFFAOYSA-N 412.489 5.617 0 40 HKAB CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1OC 12986289 QDIRZIFQJARFQA-IYPOZPNPSA-N 408.523 5.081 0 40 HKAB CSCC[C@H](NC(=O)c1cccs1)c1nc2ccccc2n1Cc1ccccc1 13281384 VJOKTHJPAQLUOI-IBGZPJMESA-N 421.591 5.370 0 40 HKAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)ccc1Cl 13684305 XHJJRSIPGIXVHI-KRWDZBQOSA-N 422.912 5.157 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccccc2OCc2ccccc2)CC1 13687229 DUUXFMULQFKXKW-UHFFFAOYSA-N 420.940 5.190 0 40 HKAB Cc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccccc2F)nc1 16741745 FTJAIPHETGDONX-QFIPXVFZSA-N 414.436 5.002 0 40 HKAB Fc1ccccc1-c1cc(-c2ccccc2F)n(-c2cc(Cl)cc(Cl)c2)n1 17082125 SBENNKMARVKBKS-UHFFFAOYSA-N 401.243 6.791 0 40 HKAB O=C(Nc1ccc2ccccc2c1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 20241750 XVZBPUVIFOQTPZ-UHFFFAOYSA-N 421.544 5.414 0 40 HKAB Cc1cc(-c2cc(C(=O)Nc3nc4ccccc4[nH]3)c3cnn(C(C)C)c3n2)c(C)o1 22240034 YHUJFGDELSVGEC-UHFFFAOYSA-N 414.469 5.018 0 40 HKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)NC(c1ccccc1)c1ccccc1 22245538 UVRVZCYCORUDBU-UHFFFAOYSA-N 413.546 5.739 0 40 HKAB CCCc1nc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OCC)cc2s1 22255187 JEEYXONCXAAQRT-UHFFFAOYSA-N 410.948 5.102 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)CSc3nnc(-c4cccs4)o3)cc2)cc1 22357346 XRQBXTSYDYJYSG-UHFFFAOYSA-N 423.519 5.630 0 40 HKAB Cc1ccc(NC(=O)[C@@H](NC2CC(C)(C)NC(C)(C)C2)c2ccccc2)cc1Cl 23408608 UYZOZODUTSXWQC-NRFANRHFSA-N 413.993 5.227 0 40 HKAB C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@@H]1Nc1cccc(C(F)(F)F)c1 23467641 SOOXDUICTSBYRM-GAJHUEQPSA-N 424.466 6.293 0 40 HKAB CCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 27582670 CKEKFXHLKZCQDQ-OAQYLSRUSA-N 400.950 5.086 0 40 HKAB CCc1ccc(NC(=O)c2sc(COc3ccc(C(C)(C)C)cc3)nc2C)cc1 27912744 BNDQGKFTGZOWPU-UHFFFAOYSA-N 408.567 6.143 0 40 HKAB COc1ccc2cc([C@@H](C)C(=O)Nc3cccc(Cl)c3N3CCOCC3)ccc2c1 32885708 FNUOCVIRSQPSPM-MRXNPFEDSA-N 424.928 5.081 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@@]21C 34187260 HKHHYUSFWJROEJ-UXWTYBCRSA-N 404.679 6.584 0 40 HKAB biogenic,in-vitro O=C(/C=C/c1ccco1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 38205024 FBACXHMGPAJOMQ-MKSZJSKZSA-N 408.501 6.116 0 40 HKAB C[C@H](c1nc2scc(-c3cccs3)c2c(=O)[nH]1)N1CC=C(c2ccccc2)CC1 57470684 YVNVDHSARFTVCB-OAHLLOKOSA-N 419.575 5.563 0 40 HKAB O=C(Nc1ccc2nc(SCc3ccccc3Cl)sc2c1)c1ccccc1 59855355 QMPTZGBAJSYFPI-UHFFFAOYSA-N 410.951 6.494 0 40 HKAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1cccnc1Sc1ccccc1 72217691 OGHOFXUDRHAPJA-JOCHJYFZSA-N 404.535 6.097 0 40 HKAB CC1CCN(c2cc(NC(=O)c3cccc(Br)c3)c(Cl)cc2N)CC1 72229285 JMDFGLCPHXJAEO-UHFFFAOYSA-N 422.754 5.173 0 40 HKAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=S)Nc2ccccc2)c(OC)c1 89434785 LCCPPUIDSDHHPW-QFIPXVFZSA-N 417.534 5.252 0 40 HKAB O=C(N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F)c1ncoc1[C@@H]1CCCO1 95458916 XVZMJIFRTXELJK-NXHRZFHOSA-N 422.447 5.391 0 40 HKAB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1[C@@H]3CC[C@H](c4ccccc43)[C@@H]12 101044694 DALTUKWWYJSZDX-SRCPTPTDSA-N 420.163 5.554 0 40 HKAB CC[C@@H](C)C(=O)N1c2ccccc2[C@@H](N(C(=O)[C@H](C)CC)c2ccccc2)C[C@@H]1C 101176314 WYDOYBRGEXKRFI-FDGPYGQJSA-N 406.570 5.978 0 40 HKAB CCCCn1nc(C)c2c(C(=O)N[C@@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)c(Cl)c(C)nc21 101568509 RCAGSOYIKVEZOW-WBQNTZJQSA-N 402.970 5.056 0 40 HKAB COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc1OC 102618828 MGZWWZVXPQVNKQ-DEOSSOPVSA-N 420.509 5.516 0 40 HKAB Cn1c(=O)c(C2=Nc3ccccc3N[C@H](/C=C/c3ccccc3)C2)c(O)c2ccccc21 104827554 LQYXHQCHMLXYFS-CLHDZIPGSA-N 421.500 5.263 0 40 HKAB O=S(=O)(NCCCc1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 216341175 DNRBWTZBPMUVSW-UHFFFAOYSA-N 401.915 5.043 0 40 HKAB Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 222633681 INXFKVGVRHICLX-WVFSVQOHSA-N 409.942 5.893 0 40 HKAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222804047 UOEBLZNOWNQHCJ-RTBURBONSA-N 418.349 5.641 0 40 HKAB C[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc2c(c1)CCCC2 222908043 TVNWLSIGTXNYIW-AWEZNQCLSA-N 408.394 5.983 0 40 HKAB Fc1ccc(C2(CNC(=S)Nc3ncc(Cl)nc3Cl)CCCCC2)cc1 224007639 NLMVJHRXBJRQKC-UHFFFAOYSA-N 413.349 5.111 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cnn(-c2ccc(Cl)cc2)c1 224056969 QNUSEWHJUWYVMI-UHFFFAOYSA-N 400.187 5.450 0 40 HKAB Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)cc1 224360548 JKSCAGYGEXOTPL-QFQXNSOFSA-N 401.550 6.100 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccco2)N1c1ccc(Oc2ccccc2)cc1 224624766 ZCXTZOBOIPLBNT-DHIUTWEWSA-N 413.502 5.644 0 40 HKAB CSc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1NC(=O)C(C)C 225287615 BZHYKMJQNBWGDN-UHFFFAOYSA-N 420.600 5.236 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccco2)N1c1ccc(OC2CCCC2)cc1 225360557 FSBJGYLBTCWQSP-FCHUYYIVSA-N 405.523 5.173 0 40 HKAB CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 225377562 VRMRCKKZWCPRSO-MRXNPFEDSA-N 413.543 5.046 0 40 HKAB COc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)c2cccnc12 225513127 IMBDTFULBBAYRZ-HSZRJFAPSA-N 413.546 5.628 0 40 HKAB CC(=O)Oc1ccc(OC(C)=O)c(C[C@@]2(C)[C@H]3CCC[C@@H](C)[C@@]3(C)CC[C@H]2C)c1 253490628 JNPCOXQSZZCMMB-LJYQMKLZSA-N 400.559 5.958 0 40 HKAB CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C)C(C)C 253504143 CSVWWLUMXNHWSU-NFXGSVPSSA-N 414.718 7.881 0 40 HKAB biogenic,in-vitro O[C@@H]1[C@H](NCc2ccccc2)CCC[C@H]1Oc1ccccc1Oc1ccc(Cl)cc1 257298745 RNDFGLGUUOXDCD-NQHRYMMQSA-N 423.940 5.583 0 40 HKAB COc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(F)cc1 408603758 CRBCYUSKCKVTSG-UHFFFAOYSA-N 415.848 5.377 0 40 HKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408641997 LVUXIECKNAAUQO-OAHLLOKOSA-N 424.859 5.263 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3)n2)c1 408697752 JCLWJFZKHXOIST-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)nn2-c2ccccc2)cc1 408724267 JFXKUKQPNXRBPV-UHFFFAOYSA-N 422.315 6.407 0 40 HKAB Cc1cccc(NCc2ccc(OCc3cccc(Cl)c3)c(Br)c2)c1 409111423 IQXLSMBYFXOEMW-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB CCCCc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)cc1 409407782 HRFYOPLEMONQOD-UHFFFAOYSA-N 408.523 5.082 0 40 HKAB CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 1857513905 KZJWDPNRJALLNS-VPUBHVLGSA-N 414.718 8.025 0 40 HKAB biogenic C(=C1c2ccccc2[C@@H]2[C@@H]1O[C@H]1/C(=C\c3ccccc3)c3ccccc3[C@H]12)c1ccccc1 2049238507 QTCLDESTKURNLW-OBKDZWBYSA-N 424.543 7.430 0 40 HKAB C[C@H](Oc1ccc(F)cc1)c1nn2c(-c3ccc(C(F)(F)F)cc3)nnc2s1 632919 OTDKIMQQTVAJRM-JTQLQIEISA-N 408.380 5.151 0 40 HKAB COc1cccc(C(=O)c2sc3nc(C)cc(-c4ccc(Cl)cc4)c3c2N)c1 663665 FKUCRPCPKMJVAL-UHFFFAOYSA-N 408.910 5.747 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2CC)cc1 2212309 YDJQORJKVQCTPR-HNNXBMFYSA-N 414.600 5.195 0 40 HKAB CC(C)Oc1ccc(-c2nc(Oc3cccc4ccccc34)c3ccccc3n2)cc1 2236543 KUTUJOPRQOBASH-UHFFFAOYSA-N 406.485 7.030 0 40 HKAB CCOC(=O)c1c(NC(=S)Nc2ccc(C)cc2)sc2c1C[C@H](C(C)C)OC2 2308399 HCZSYRNRPHPCAP-MRXNPFEDSA-N 418.584 5.139 0 40 HKAB O=C1C[C@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1 2329586 NVBLGXFUUFQQSO-QHCPKHFHSA-N 422.311 5.633 0 40 HKAB Cc1ccccc1C(=O)Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 2388473 HMCZLDIEMOZNHZ-UHFFFAOYSA-N 413.454 5.597 0 40 HKAB biogenic CCc1cc2c(=O)c(-c3ccccc3Cl)c(C)oc2cc1OCc1ccccc1 2667473 HFOCSANVGSMEDR-UHFFFAOYSA-N 404.893 6.563 0 40 HKAB biogenic CC(C)Cc1ccc([C@H](C)C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1 2671136 GYSRTJSVTBPCJE-INIZCTEOSA-N 412.986 6.328 0 40 HKAB O=C(CCc1ccccc1)NCCSc1c(-c2ccccc2)[nH]c2ccccc12 2721139 NCTQMOMLKAZGHQ-UHFFFAOYSA-N 400.547 5.676 0 40 HKAB O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccccc1C(F)(F)F 2723687 WJMJKOBGTQBWLR-UHFFFAOYSA-N 411.836 5.275 0 40 HKAB Clc1ccc(-c2nnc3c4ccccc4nc(Nc4ccccc4)n23)cc1Cl 3063800 QNZXGBSMMXFCKH-UHFFFAOYSA-N 406.276 5.995 0 40 HKAB Clc1ccc(-c2nc(Nc3cccc4ccccc34)sc2-c2ccccc2)cc1 3079567 KOTSFXOHOOZJME-UHFFFAOYSA-N 412.945 8.027 0 40 HKAB O=C(CSc1cccc(C(F)(F)F)c1)NCCSc1ccc(Cl)cc1 3104372 GVDFMGQMOFNEEE-UHFFFAOYSA-N 405.894 5.359 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)Sc4nncs4)cc3)sc2c1 3385682 RCHCVYAJKNGFQP-GFCCVEGCSA-N 412.565 5.243 0 40 HKAB C[C@@H](Oc1cccc(Br)c1)C(=O)NC1CCCCCCCCCCC1 4071395 HHDKCFIGFAMEAZ-QGZVFWFLSA-N 410.396 6.006 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(C)cc2)cc1 4281969 PDONABPSOACVER-DHLKQENFSA-N 400.478 5.255 0 40 HKAB CCCCc1ccc(N[C@H](CC(=O)c2ccccc2)c2ccc(C(=O)OC)cc2)cc1 4358256 NONQAANINVGRAG-RUZDIDTESA-N 415.533 6.242 0 40 HKAB O=C(c1ccc(-c2nc3ccccc3o2)cc1)N(C1CCCCC1)C1CCCCC1 4491487 FWFYWODWOAGWNR-UHFFFAOYSA-N 402.538 6.602 0 40 HKAB Cn1c(-c2ccc(Br)cc2)cnc1NCc1c(Cl)cccc1Cl 4679306 NDATYIUUNLDYEI-UHFFFAOYSA-N 411.130 5.769 0 40 HKAB CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1cccnc1 5029901 OZRYRKXAPXRBHS-NGQVCNFZSA-N 423.497 5.535 0 40 HKAB CCC(=O)N(CC[C@]1(c2ccccc2OC)CCO[C@H](C(C)C)C1)Cc1ccco1 5397217 YZCSNBFIOQJCHS-ZCYQVOJMSA-N 413.558 5.190 0 40 HKAB Cc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)c1C 5689531 SUGHQAZONSWZFY-XMMPIXPASA-N 411.549 5.413 0 40 HKAB O=C(c1cccnc1Cl)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@H]1c1ccco1 6505612 FSDNODVMSGPZCU-LAHNWTNYSA-N 407.857 5.358 0 40 HKAB CCCn1c(C)cc(-c2csc(NC(=O)/C=C/c3ccc4c(c3)OCO4)n2)c1C 6509912 AWFUDZXMJDKHAX-SOFGYWHQSA-N 409.511 5.019 0 40 HKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)COc1ccc2ccccc2c1 6613174 LTKNGQIRSJSYOB-UHFFFAOYSA-N 409.445 5.369 0 40 HKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)Nc1cccc(F)c1 6789701 SMCBZCNKWGJMHT-UHFFFAOYSA-N 407.445 5.306 0 40 HKAB COc1ccc(-c2c(C)nn3c(N[C@H](C)c4ccccc4)cc(C)nc23)cc1OC 7636185 VDIMQWIOIHKVNO-MRXNPFEDSA-N 402.498 5.203 0 40 HKAB Clc1ccc(Sc2cc(-c3ccccc3)c3cc4c(cc3n2)OCCO4)cc1 7699074 XFLANKMKJHZYMF-UHFFFAOYSA-N 405.906 6.478 0 40 HKAB COc1cccc(OC)c1C(=O)OCc1ccc(-c2cccc(Cl)c2Cl)o1 8168706 PICXSEAMZYZWAH-UHFFFAOYSA-N 407.249 5.628 0 40 HKAB COC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccc(Br)cc1 8673456 FHYMXKLPIPEBQS-UHFFFAOYSA-N 422.325 5.278 0 40 HKAB Cc1ccc(Sc2ncccc2COC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 8781975 VOFDROXKPZFLNV-UHFFFAOYSA-N 419.333 6.597 0 40 HKAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 10027895 FYZGJYPJYBHWMM-OAHLLOKOSA-N 420.563 5.143 0 40 HKAB COc1cc(Cl)cc(CNCCc2c[nH]c3ccccc23)c1OCc1ccccc1 10475272 JKTVUGKLPCLQFV-UHFFFAOYSA-N 420.940 5.741 0 40 HKAB CC(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(Cl)cc2)OC3=O)c1 12274603 SMTNGCKDMQAHQL-JOCHJYFZSA-N 419.864 5.249 0 40 HKAB O=C1C[C@H](c2ccc(Cl)cc2Cl)c2sc(C(=O)O)c(-c3ccccc3)c2N1 12376929 GESMDJDVTHXIOR-CYBMUJFWSA-N 418.301 5.894 0 40 HKAB Oc1ccccc1CCc1nnc(SCc2ccc(Cl)cc2)n1-c1ccccc1 12377108 USAGZKFVTHEPMM-UHFFFAOYSA-N 421.953 5.704 0 40 HKAB Cc1cccc(NC(=O)COC(=O)c2ccccc2OCc2ccccc2Cl)c1C 12623500 IEAMZUSFRXIUES-UHFFFAOYSA-N 423.896 5.331 0 40 HKAB COc1ccc(C2=C[C@@H](c3ccccc3)[C@@H]3CCCC[C@@]34Oc3ccccc3N24)cc1 12656890 HGGPYRPVMWSYOB-IBGGVINMSA-N 409.529 6.619 0 40 HKAB O=C(O)c1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)o2)cc1 12699768 OTXHVHUMDNYQGS-UHFFFAOYSA-N 406.441 6.369 0 40 HKAB COc1ccccc1CC(=O)N(c1nc2ccccc2s1)c1ccccc1OC 12798698 PKNBYZLBINSKEJ-UHFFFAOYSA-N 404.491 5.221 0 40 HKAB Cc1ccc(-n2c(S[C@@H](C)c3nc(C(C)C)no3)nc3ccccc3c2=O)cc1 12987521 VOZVPDXUFSDDAP-HNNXBMFYSA-N 406.511 5.054 0 40 HKAB C1=C(c2ccccc2)N2N=C(c3ccccc3)O[C@@]23CCCC[C@H]3[C@@H]1c1ccccc1 13509582 ZJXHXEHIKDXOSE-PNIUZAESSA-N 406.529 6.405 0 40 HKAB COc1ccccc1-c1coc2c3c(ccc2c1=O)OCN([C@@H](C)c1ccccc1)C3 13723474 HCBICQBWCAJYDL-KRWDZBQOSA-N 413.473 5.382 0 40 HKAB biogenic CC(C)c1ccc(OCc2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1 13842387 SPJHZDTYYVQHFA-UHFFFAOYSA-N 422.381 6.117 0 40 HKAB CCc1nn2c(c1-c1ccc(OC)cc1)N=C(c1ccccc1C)C[C@H]2c1ccccn1 14607625 RBSAWKKUSGIIOS-VWLOTQADSA-N 422.532 5.938 0 40 HKAB Brc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)s1 15016839 YLASXUIRBMWQIW-FZKQIMNGSA-N 417.353 5.814 0 40 HKAB Cc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)cs2)cc1 15832538 ALAOLPUSCAZBGJ-OAHLLOKOSA-N 400.931 5.164 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 18185221 MEFVGPFLHNLZGD-UHFFFAOYSA-N 402.372 5.544 0 40 HKAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1ccc(Cl)cc1 19825559 NEQNMDAGLYQROC-UHFFFAOYSA-N 420.925 5.017 0 40 HKAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(CCc1ccc(Cl)cc1)CO2 20412330 NQFQZCYTMFRJCQ-UHFFFAOYSA-N 409.913 5.028 0 40 HKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)cc2)C1 20483795 QVZQVYMJSVHPLP-HXUWFJFHSA-N 416.590 6.322 0 40 HKAB Cc1cccc(/C=C/C2=Nc3ccccc3C(=O)[C@@H]2c2c(Cl)cccc2Cl)c1 26503820 CPHYSAYREVSULG-OTOIZHKDSA-N 406.312 7.068 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)NC[C@@H](c2cccs2)N2CCCCCC2)c1 27662499 DYSXXQDPOZONJJ-NRFANRHFSA-N 414.615 5.292 0 40 HKAB c1ccc(CN[C@@H]2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2c2ccccc2)cc1 31638227 UQNIZCLCTUZFFG-VSGBNLITSA-N 403.529 5.811 0 40 HKAB Cc1cccc(OC(=O)c2nc(SCc3ccccc3F)ncc2Cl)c1C 32623464 FFSAELJDTFJOFD-UHFFFAOYSA-N 402.878 5.397 0 40 HKAB O=C(CSc1ccncc1)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 32901472 NCULGDDEEDOUCM-UHFFFAOYSA-N 410.449 5.224 0 40 HKAB S=C(c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)N1CCOCC1 33746837 CZIVRAAMBUINAA-UHFFFAOYSA-N 416.757 5.234 0 40 HKAB COc1ccc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccn3)C2)cc1 35463013 BDYRZZJCAUUUQA-UHFFFAOYSA-N 416.506 5.017 0 40 HKAB O=C1C[C@@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(Cl)c1Cl 36635867 XMIQHYAECWPSLL-GFCCVEGCSA-N 404.080 5.044 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38834288 DOJGFQUHBHXWDR-OAHLLOKOSA-N 407.341 5.243 0 40 HKAB C[C@H](NC(=O)Nc1ccccc1Cc1ccccc1)c1ccc(NC(=O)C2CC2)cc1 43333943 IBYZZBGYERJJEJ-SFHVURJKSA-N 413.521 5.509 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c(Cl)c1 44940182 YEUREGYNMHRVAH-INIZCTEOSA-N 414.933 5.001 0 40 HKAB COc1ccc2ncc3c(-c4ccccc4)c(C(=O)NCCC(C)C)sc3c2c1 45944030 QGSXIAUCJHSQNY-UHFFFAOYSA-N 404.535 5.901 0 40 HKAB O=C(COc1ccccc1-c1nc(-c2ccccc2Cl)no1)Nc1ccccc1 46012307 IICJHHZROFWCKV-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccccc2-c2cccs2)CC1 48277452 RPFPFIIMNUKJEN-UHFFFAOYSA-N 404.535 5.214 0 40 HKAB COc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc(OC)c1 67296913 NSAMHYRRFXMBKL-QPLCGJKRSA-N 414.461 5.243 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 78610437 JGSNZCXAHVFMKX-GOSISDBHSA-N 407.272 5.136 0 40 HKAB O=C(c1ccc(Cl)cc1)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 84429317 WVTKERJKDMYADC-HTIFZMLVSA-N 406.869 5.963 0 40 HKAB CCc1ccc(-c2nc3ccc(NC(=S)NC(=O)c4cccc(C)c4)cc3o2)cc1 98086914 GHVXNUVCJICXET-UHFFFAOYSA-N 415.518 5.492 0 40 HKAB Cc1cccc2c1NC(C)(C)c1ss/c(=N/c3ccc(Cl)c(Cl)c3)c1-2 100144873 OTKHZKDJRAUPGB-RELWKKBWSA-N 407.391 6.985 0 40 HKAB O=C(Nc1cccc(Cl)c1)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 107181086 SDWYWTXGPNCKPO-FGLICBMKSA-N 402.881 5.306 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1Cl 107878998 RIJZBTVQGBEJEF-UHFFFAOYSA-N 413.732 5.898 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=O)[C@H](C)Oc1cccc3ccccc13)CC(C)(C)O2 219046273 ORKRXZOEBGACAX-KKSFZXQISA-N 405.494 5.034 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 222730830 DVPFCULXCWVPKR-FQEVSTJZSA-N 403.975 5.075 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)CC)cc1COc1ccc(-c2ccccc2)cc1 224550901 PADDRSVOHQJRMR-IBGZPJMESA-N 403.522 5.860 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccc2ccccc2c1 224638466 LAARVEVFFUSPJQ-UHFFFAOYSA-N 417.549 6.270 0 40 HKAB COc1ccc2cc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc2c1 225148439 QGKRHUDOYQQJHG-UHFFFAOYSA-N 415.820 5.321 0 40 HKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225163811 VOOULUIOTYGESX-KRWDZBQOSA-N 404.919 5.093 0 40 HKAB CCOc1cccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)c1 225862571 ITCGVBPLBBHQDU-UHFFFAOYSA-N 402.991 5.971 0 40 HKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCCCCC2)cc1 408674915 DXEDMZIHHTWIGF-UHFFFAOYSA-N 418.537 5.417 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2cccc(Cl)c2)cc1 408697596 IIQOXHWFDVPEOW-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(F)cc2)c1 408697895 MJJPNBLXLQPWRS-UHFFFAOYSA-N 404.420 5.082 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2cccc(C)c2)c1 408698467 PWUGUVOZIOUISC-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(Cl)c1O[C@H](C)CC 409018978 ZSQZNIXNXXLJRD-JHBBZFSESA-N 411.951 5.751 0 40 HKAB COCCn1c(SCc2ccc3ccccc3c2)nnc1-c1ccc(Cl)cc1 409100278 VXEMBITZHYWHKJ-UHFFFAOYSA-N 409.942 5.690 0 40 HKAB Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1C 409207592 YCGPWZVQZUIGKL-UHFFFAOYSA-N 412.942 5.990 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccc(OC)cc3)c2)cc1 1006637 SZSBTRUUCGIKPG-UHFFFAOYSA-N 424.884 5.252 0 40 HKAB O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccco1)c1ccccc1F 1341551 COVIFMCFOVTUHX-HSZRJFAPSA-N 420.484 5.256 0 40 HKAB Cc1ccccc1-n1c(SCc2ccccc2)nc2sc3c(c2c1=O)CCC3 1760964 MHOKQCSVHMDIHZ-UHFFFAOYSA-N 404.560 5.537 0 40 HKAB CCOc1ccc(OCCSc2nc3ccccc3n2Cc2ccccc2)cc1 2058662 HCYYTLTXLKKAON-UHFFFAOYSA-N 404.535 5.654 0 40 HKAB Cc1cccc2c(C(=O)Nc3ccccc3)cc(-c3ccc(Br)cc3)nc12 2078796 AJWWFPSSJYRWGL-UHFFFAOYSA-N 417.306 6.225 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1nc2ccccc2s1 2309678 PBYVDDHIJNLMDZ-UHFFFAOYSA-N 404.278 5.819 0 40 HKAB CCOc1ccc(-n2c(SCc3ccc(OC)cc3)nnc2-c2cccnc2)cc1 2335673 WWYUGIZHYOBLEH-UHFFFAOYSA-N 418.522 5.029 0 40 HKAB Cc1ccccc1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 2343842 UKYRWTJOKZXHAC-RBBKRZOGSA-N 418.338 6.254 0 40 HKAB O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc2ccccc2n1 2629198 BEYAXTURAAEZSO-UHFFFAOYSA-N 412.927 5.284 0 40 HKAB Cc1c(C)c(OC(=O)c2ccccc2)c(Cc2nc3ccccc3s2)c(C)c1O 2641116 CENWUAPTNXMWAK-UHFFFAOYSA-N 403.503 5.737 0 40 HKAB Fc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4F)cc2-3)OCO5)cc1 2688843 YNOPXEJQYAZIAG-UHFFFAOYSA-N 415.399 5.258 0 40 HKAB Cc1ccc(-c2csc(NC(=O)CCC(=O)OCc3ccc(Cl)cc3)n2)cc1 2751236 UCYSXQBYKURBBN-UHFFFAOYSA-N 414.914 5.234 0 40 HKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 3338574 JUNFQLPOGKUUSD-UHFFFAOYSA-N 410.970 6.617 0 40 HKAB Cc1cccc(C(=O)Sc2nnc(-c3c[nH]c4ccccc34)n2-c2ccccc2C)c1 3340375 GRLRCMOODHTIJV-UHFFFAOYSA-N 424.529 5.965 0 40 HKAB O=C(CCCOc1ccc(Cl)cc1Cl)NCCc1ccc(Cl)cc1Cl 3425175 HZSXZZGWMBUJSO-UHFFFAOYSA-N 421.151 5.818 0 40 HKAB Cc1cc2oc(=O)cc(-c3cc4ccccc4o3)c2cc1OCC(=O)OC(C)(C)C 4586241 SKCSUNWQTXBLGJ-UHFFFAOYSA-N 406.434 5.235 0 40 HKAB biogenic COc1cccc(OC)c1C(=O)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1C 4700817 LHUXWKJXTHASAV-UHFFFAOYSA-N 416.477 5.690 0 40 HKAB O=C(Nc1ccccc1F)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 4903539 YXYCQUKMXMSARW-UHFFFAOYSA-N 411.263 6.600 0 40 HKAB COc1ccccc1-c1ocnc1C(=O)Nc1ccccc1Sc1ccccc1 5002019 BYYUVADKGVKUHW-UHFFFAOYSA-N 402.475 5.754 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 5904002 LITQMAPOVXTVDI-MRXNPFEDSA-N 412.599 5.548 0 40 HKAB Cc1cc(C)c2nc(SCC(=O)c3ccc(Br)s3)cc(C)c2c1 6330306 AVUHGZRRRHUNMB-UHFFFAOYSA-N 406.370 5.959 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(Cl)c2N2CCCCC2)c1 6390505 ZUQPJCZAPNKSFS-UHFFFAOYSA-N 400.950 5.780 0 40 HKAB Cc1cccc(OCc2nc(-c3ccc(OCc4cccc(F)c4)cc3)no2)c1C 6667995 ZRVXJVMDWZIMQJ-UHFFFAOYSA-N 404.441 5.651 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 6761682 PTMNKZJNLKHNRM-UHFFFAOYSA-N 406.869 5.944 0 40 HKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3C(C)(C)C)s2)c1 6831647 JRFFAFDLJQRTRV-UHFFFAOYSA-N 412.584 5.618 0 40 HKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 6889702 ZFONRTDRIDXLNZ-UHFFFAOYSA-N 414.288 5.307 0 40 HKAB Cc1cccc(CN2C(=O)N/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)c1 6967298 MLIVGPVOULLUDI-BUVRLJJBSA-N 421.500 5.091 0 40 HKAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)c1ncnc2sc(-c3ccccc3)cc12 7002016 CFRFBLPBYRDROP-MRXNPFEDSA-N 412.522 5.136 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(N3CCCCCC3)cc2)c1 7227113 TVLBPEBQYKGDHQ-UHFFFAOYSA-N 419.525 5.503 0 40 HKAB Cc1nn(CC(C)C)c2sc(C(=O)N[C@@H](c3nc4ccccc4[nH]3)C(C)C)cc12 7737365 QVTHYZCWTOJPFI-LJQANCHMSA-N 409.559 5.066 0 40 HKAB CCOc1ccc(OCC)c(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 7987416 YQQGIOQRWPHGPF-UHFFFAOYSA-N 413.477 5.347 0 40 HKAB COc1ccc2c(C(F)(F)F)cc(SCc3cn4cccc(C)c4n3)nc2c1 8416393 HTDRTFYNLKFVRP-UHFFFAOYSA-N 403.429 5.511 0 40 HKAB CCN(CC)c1nc(SC)nc2c1sc1nc(-c3ccco3)c3c(c12)CCC3 8645121 DILAGWUYKRDMNH-UHFFFAOYSA-N 410.568 5.556 0 40 HKAB Nc1c(-c2nc(-c3ccccc3)cs2)c2ccccn2c1C(=O)c1ccc(F)cc1 8844886 GMMFMKKKTTXEEC-UHFFFAOYSA-N 413.477 5.682 0 40 HKAB COc1ccc(C(=O)OC[C@H](NC(=O)Nc2ccc(Cl)cc2)c2ccccc2)cc1 8925825 MNRIQUJHHPGKFH-NRFANRHFSA-N 424.884 5.068 0 40 HKAB COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2C)cc1 9374405 MORRRCWLFSONHD-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB CC(=O)Nc1cccc(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c1 9378351 MUANMGUIHCAURV-UHFFFAOYSA-N 416.506 5.066 0 40 HKAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(CSc2ccccc2)cc1 9694933 OEMDDBDPPMSZCK-UHFFFAOYSA-N 403.956 5.574 0 40 HKAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)N[C@H]1CCOc2ccccc21 9744184 HOKLWFSYSGXVSC-QHCPKHFHSA-N 414.480 5.547 0 40 HKAB C[C@@H]1Oc2ccc(NC(=O)c3ccccc3SCc3ccsc3)cc2NC1=O 9908946 FHUNXGOQFDVVQV-ZDUSSCGKSA-N 410.520 5.012 0 40 HKAB CN(Cc1c(F)cccc1Cl)C(=O)CSc1nc(C2CC2)nc2ccccc12 10944046 LEIGOBITRRBIMD-UHFFFAOYSA-N 415.921 5.050 0 40 HKAB COc1cccc(C(=O)c2oc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)c1 11614595 FTOJUGIKLKZCSL-UHFFFAOYSA-N 412.367 5.335 0 40 HKAB c1cncc(-c2nnc3sc(-c4cc(-c5cccs5)nc5ccccc45)nn23)c1 12391813 VCBXKTMHQOUTLU-UHFFFAOYSA-N 412.503 5.192 0 40 HKAB Cc1cc(NC(=O)Cc2cccs2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 12441842 UDZBUNKYTSTBNW-UHFFFAOYSA-N 414.943 5.200 0 40 HKAB O=C(NCc1ccccc1Cn1cccn1)[C@@H](Sc1ccccc1)c1ccccc1 14701852 ONXVCTHDQSTKEM-DEOSSOPVSA-N 413.546 5.081 0 40 HKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 15832059 UVAXOXVOBAURAX-QGZVFWFLSA-N 406.526 5.299 0 40 HKAB CCOP(=O)(OCC)c1nc(-c2ccccc2)oc1NCc1ccccc1Cl 16751557 YTDBXMQFRARNPY-UHFFFAOYSA-N 420.833 5.499 0 40 HKAB CC(C)(C)C(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 17093809 WTHKLOKPQCGTOD-UHFFFAOYSA-N 424.353 5.105 0 40 HKAB Cc1sc(NC(=O)c2ccccc2Cn2ccnc2C)nc1-c1ccc(F)cc1 19555614 NJZAQCPKCKASNA-UHFFFAOYSA-N 406.486 5.063 0 40 HKAB COc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(-c3ccccc3)s2)cc1 19898555 NROGBDYOAJDYAN-UHFFFAOYSA-N 407.516 5.319 0 40 HKAB CC[C@@H](NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccc(OC)cc1 22532807 YDNLTCFQZVLYQO-XMMPIXPASA-N 400.522 5.139 0 40 HKAB Cc1cc(C)c(OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(C)c1 27018634 OQSCFKZHKBRYCA-UHFFFAOYSA-N 416.546 6.214 0 40 HKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2cc(-c3ccc(Br)cc3)no2)c1 27747272 HMBJLFJVJIOCJV-CQSZACIVSA-N 415.287 5.127 0 40 HKAB COc1ccc(C)cc1NC(=O)c1sc(COc2ccc(C(C)(C)C)cc2)nc1C 27912636 IDUXFHBDLHTCHG-UHFFFAOYSA-N 424.566 5.897 0 40 HKAB CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)C)cc1)N1CCCCC1 28291837 BJXMLFGHFJUXEK-DEOSSOPVSA-N 408.586 5.556 0 40 HKAB O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1cc(-c2cccs2)on1 32593987 JHZXOWCYGHOIIR-UHFFFAOYSA-N 414.446 5.372 0 40 HKAB Cc1ccc(OC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)cc1C 32623449 MWMIZGQEWOQSPA-UHFFFAOYSA-N 402.878 5.397 0 40 HKAB COc1cc(CN(C(=O)Nc2cc(Cl)ccc2F)C2CC2)ccc1OC(F)F 40120096 WDKKMMJPMSSTLT-UHFFFAOYSA-N 414.811 5.286 0 40 HKAB CCOC(=O)N[C@@](c1nc2ccccc2s1)(c1c[nH]c2ccccc12)C(F)(F)F 48229588 MZNAFXARNLHWCN-LJQANCHMSA-N 419.428 5.330 0 40 HKAB Cc1cccc(-n2nc(-c3nc(-c4ccc(C)c(C)c4)no3)c3ccccc3c2=O)c1 64949779 WTTNJLYGTYOIBI-UHFFFAOYSA-N 408.461 5.028 0 40 HKAB Clc1cc(-c2nc3cc(-n4cnnc4)ccc3o2)cc(Cl)c1Br 70462186 DSPXKBFPGDGTMF-UHFFFAOYSA-N 410.058 5.145 0 40 HKAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc5c(c4)OCO5)[C@H](O)[C@]3(C)CC[C@@H]21 71782830 JFDHIMAJTWDPBB-ILGPUDOCSA-N 418.533 5.334 0 40 HKAB C[C@H](NC(=O)c1ccccc1Oc1ccccc1)c1nc(-c2cccc(F)c2)no1 72303584 RWKWCJFPXXKKHS-HNNXBMFYSA-N 403.413 5.159 0 40 HKAB Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)n1 72375645 ZXVRRRBOJBTOAF-FQEVSTJZSA-N 424.545 5.416 0 40 HKAB Cc1ccc(C)c(C[S@](=O)[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 84142463 GBXJXDPLLPVINB-JGTBNHKDSA-N 417.880 5.252 0 40 HKAB Cn1ncc(C(=O)N[C@@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)c1C(F)F 95458907 IYDXRFGVHSYONC-XJKSGUPXSA-N 415.406 5.223 0 40 HKAB COc1cc(OC)cc(C(=O)NCC23C[C@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)c1 100648344 LWSNIMXJLZJDIY-KDGKYOGISA-N 419.565 5.280 0 40 HKAB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc2c(c1)OCO2)c1ccccc1 101342027 JWQCGOKMVUXGNT-UHFFFAOYSA-N 419.820 5.094 0 40 HKAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=S)Nc1ccc(Cl)cc1Cl 104092712 SECHNLXDFGYFOW-DNVCBOLYSA-N 406.382 5.307 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CC(=O)C(F)(F)F 118934329 LCURZEXXFASPQQ-MWKMPQFCSA-N 414.508 5.097 0 40 HKAB CC(C)=Cc1ccc2c(N)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)sc2n1 215736559 YUHDWXMXITWDLV-UHFFFAOYSA-N 407.417 5.453 0 40 HKAB Cc1cc(C)c(C)c(OCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 218965444 KVIXMOOPOMPBCC-UHFFFAOYSA-N 412.382 5.347 0 40 HKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc2ccccc12)c1ccc2c(c1)CCCC2 223098739 SMNFHNPWSCYOJF-LOSJGSFVSA-N 401.550 6.144 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1Cc1ccccc1 223403875 PDJVMFCZFHAOQS-XZOQPEGZSA-N 402.567 5.171 0 40 HKAB COc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc(Cl)c(C)c1 224202582 RSUXZUVMVWRWAM-UHFFFAOYSA-N 409.913 5.209 0 40 HKAB CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224937320 TWAUECHJAYLQDW-UHFFFAOYSA-N 422.333 5.398 0 40 HKAB COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)CCCC2)cc1 225531397 WRTFVSACOAMIKJ-UHFFFAOYSA-N 422.569 5.010 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)ccc1OC(C)C 225759931 OUYBHIYTNCQRCZ-UHFFFAOYSA-N 423.553 5.800 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H](C(=O)O)[C@@H]([C@@]3(C)CCCCC3=O)CC[C@]12C 253390084 CGYXDTVDPDQBGI-BOSJGRNASA-N 404.635 6.742 0 40 HKAB biogenic,in-vitro Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 408616172 WTGVLEUDTXRYEX-UHFFFAOYSA-N 413.304 5.484 0 40 HKAB COc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2C)n1 408697743 IXYDSDAYEHAXKQ-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(Cl)cc2)cc1Cl 408698789 PNUJUWOBAMTPRY-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB O=C(Nc1ccccc1Cl)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 408699971 XWZHHGIBIRRKEF-UHFFFAOYSA-N 410.811 5.118 0 40 HKAB Cc1ccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(C)cc2)cc1 408721033 IMBVKRLZHZUKDA-UHFFFAOYSA-N 408.586 6.782 0 40 HKAB CCc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 409097570 OIIOPFDHQGXFAI-UHFFFAOYSA-N 405.954 6.442 0 40 HKAB Cc1ccc(S(=O)(=O)/N=c2\sc(-c3ccccc3)c(-c3ccccc3)n2C)cc1 409200970 UFSGMHDTAQATOA-VHXPQNKSSA-N 420.559 5.019 0 40 HKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O 409353028 ZYTGXUWIIAFXHE-RBUZYVRTSA-N 420.534 5.431 0 40 HKAB c1ccc(C(c2ccccc2)c2cccc(C3=N[C@H]4c5ccccc5C[C@H]4O3)n2)cc1 1988187874 QYBKALXGBXIHIG-VPUSJEBWSA-N 402.497 5.705 0 40 HKAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](C5(C)OCCO5)CC[C@]4(C)[C@H]3CC[C@]12C 2049238323 GFXBFUNNPOLAPC-LMLIYYBPSA-N 404.591 5.340 0 40 HKAB COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1Cl 849871 WFISFEFELOGISL-UHFFFAOYSA-N 406.869 6.026 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OCc2ccccc2)c1 854808 JAQGIRQFSWDQSO-DEOSSOPVSA-N 414.505 5.006 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccc(OC)c3)c2)cc1 1006686 TXZZBOZLJALYDM-UHFFFAOYSA-N 424.884 5.252 0 40 HKAB CCCCCC[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O 2062853 IZGSKAPTXBGKOT-OAHLLOKOSA-N 413.901 5.656 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@]12C 2118019 YEYCQJVCAMFWCO-FIRZIMKOSA-N 414.674 7.569 0 40 HKAB Cc1ccccc1OCc1nc2c3c4c(sc3ncn2n1)C[C@H](C(C)(C)C)CC4 2430084 WPMLLBTVVFGYML-OAHLLOKOSA-N 406.555 5.377 0 40 HKAB Cc1ccc(-c2csc(NC(=O)Cc3cccc4ccccc34)c2C(=O)O)cc1C 2679392 PJKMCEYBSOBSCV-UHFFFAOYSA-N 415.514 6.065 0 40 HKAB CCOc1ccc2c(c1)c1nnc(-c3ccc4c(c3)OCO4)c-1cn2Cc1ccccc1 2688710 YHTSYJCEVIOOED-UHFFFAOYSA-N 423.472 5.379 0 40 HKAB Clc1ccc(COn2c(-c3ccc(Cl)cc3Cl)nc3ncccc32)cc1 3063449 YMZVLZHCYJIACQ-UHFFFAOYSA-N 404.684 5.687 0 40 HKAB COc1ccc(-c2nc(NC(=O)CCc3nc4ccccc4s3)sc2C)cc1 3272062 XLCXGYOFAZHTIA-UHFFFAOYSA-N 409.536 5.308 0 40 HKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)cc1C 4033302 XTJDSUKJLLUFOA-JOCHJYFZSA-N 409.533 5.416 0 40 HKAB CC(C)Cn1c([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 4033344 OCNTYSYKANQYJG-OAHLLOKOSA-N 401.432 5.232 0 40 HKAB Cc1ccc(CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2ccc(C)cc2)cc1 4106597 BBQFCPJVBXFCQR-UHFFFAOYSA-N 411.530 5.776 0 40 HKAB CCOc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccccc4)[C@@H]2C3(Cl)Cl)cc1 4476946 CTUJYKBLFJUAQV-XPWALMASSA-N 411.328 6.309 0 40 HKAB CCCCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(OC)cc1 4816711 JLDSHIOXNNOEAI-SFTDATJTSA-N 424.932 5.198 0 40 HKAB CCCCc1nc2cc(NC(C)=O)c(C)nc2n1Cc1cccc(C(F)(F)F)c1 4853811 NUNMXDNPANWZOK-UHFFFAOYSA-N 404.436 5.108 0 40 HKAB O=C(c1ccccc1)N1C(=S)C(c2ccc(Cl)cc2Cl)=NC12CCCCC2 4891779 SFQVADZMUFSIPZ-UHFFFAOYSA-N 417.361 5.926 0 40 HKAB Oc1cc(OCc2ccc(Cl)cc2Cl)ccc1-c1n[nH]cc1-c1ccccc1 5025447 JZDJSXOPSJBHOU-UHFFFAOYSA-N 411.288 6.335 0 40 HKAB CNC(=O)c1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CC[C@H](C)C2 5055629 PXBJCDTUUUGLFW-HNNXBMFYSA-N 420.534 5.277 0 40 HKAB Cc1ccc(-n2ncc3c(SCc4cccc(Br)c4)ncnc32)cc1 5477648 DMKYJSJSROPBEQ-UHFFFAOYSA-N 411.328 5.179 0 40 HKAB C[C@H](NC(=O)Cc1ccccc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1 5545764 GIEIGKZSUPVGIX-KRWDZBQOSA-N 403.913 5.158 0 40 HKAB Clc1ccc(-c2cn3cc(-c4ccc(Cl)c(Cl)c4)c4c3n2CCCC4)cc1 6242648 ZNULVYRFSHUUER-UHFFFAOYSA-N 415.751 7.371 0 40 HKAB CCCCCCNCc1cc(Br)c(OCc2cccnc2)c(OC)c1 6859289 FSWLZXKBQQCLLV-UHFFFAOYSA-N 407.352 5.102 0 40 HKAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)c2ccccc2)n1Cc1ccccc1 8936560 UZHSHIIFGVSIAK-KRWDZBQOSA-N 403.507 5.258 0 40 HKAB Fc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)n3c(nc4ccccc43)N2)cc1 9291357 QNVLQJZPGKNICT-TZIWHRDSSA-N 422.301 6.084 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1Cl 9479391 NJOUKTZAVYCVDU-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB Cc1cccc(-c2nnc([C@@H](C)Sc3nnc(Cc4cccs4)n3C3CC3)o2)c1 9638637 GUJWSNHBHKHOAJ-CQSZACIVSA-N 423.567 5.477 0 40 HKAB Brc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1 12080442 TWHVATIBINPVNU-YLJYHZDGSA-N 411.324 5.753 0 40 HKAB Cc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)NC(C)(C)C)c(N)c23)cc1 12249989 MDKUIQCQGSLFGJ-UHFFFAOYSA-N 415.562 6.049 0 40 HKAB COc1ccc(OC)c(-c2nc(-c3cc(C)sc3C)c(-c3cc(C)sc3C)[nH]2)c1 12445324 WAPFIKYEOUEXID-UHFFFAOYSA-N 424.591 6.785 0 40 HKAB O=C1NC(c2ccc(Cl)cc2)=C(c2nc3ccccc3[nH]2)[C@H](c2ccc(F)cc2)N1 12650953 FXSJEEQHTMCCRM-NRFANRHFSA-N 418.859 5.278 0 40 HKAB CCN(Cc1nc(-c2ccc(Cl)cc2)no1)Cc1ccc(Br)s1 12911118 HADHNBRNOHAFSX-UHFFFAOYSA-N 412.740 5.236 0 40 HKAB CC[C@@H](C)C(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccco2)c2ccccc21 13592690 NRNRYUUUBITFNB-DNVFCKCGSA-N 416.521 5.839 0 40 HKAB Clc1ccc(-n2ncc3c2ncn2c(-c4ccc(Cl)c(Cl)c4)nnc32)cc1 13776440 ANDXWUNCRCQJMQ-UHFFFAOYSA-N 415.671 5.090 0 40 HKAB O=C(Nc1cccc(O)c1)c1ccc(C(=O)Nc2cccc(O)c2)c(-c2ccccc2)c1 13945412 RYOBDECJYYFTRB-UHFFFAOYSA-N 424.456 5.269 0 40 HKAB O=C1Nc2ccccc2/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1 15011365 SYXCEZSRSJFXNO-DEDYPNTBSA-N 406.279 5.521 0 40 HKAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(C)c(Cl)c2)c1 16637123 MWHSAHSVDMOAQR-UHFFFAOYSA-N 424.353 5.167 0 40 HKAB Fc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 16757570 HDCMPWCVMUFWQC-UHFFFAOYSA-N 411.505 6.519 0 40 HKAB CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 17089078 HVEDWMPZWADAKB-UHFFFAOYSA-N 411.958 5.466 0 40 HKAB CC(C)CCNc1nc(Nc2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1 17113131 OREOEBFYTQYIOB-UHFFFAOYSA-N 406.921 5.671 0 40 HKAB COc1ccc(-c2nnc(NC(=O)c3ccc(-c4ccccc4)cc3)s2)cc1OC 18193832 CGPCARHCQTYTCI-UHFFFAOYSA-N 417.490 5.142 0 40 HKAB CC(C)(C)CC(=O)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19082572 CABWACURGCCTBY-LJQANCHMSA-N 415.541 5.034 0 40 HKAB COCc1ccc(C(=O)N2CCC[C@@H]2c2cc(Cc3ccccc3C)cc(C)n2)cc1 19692007 VJYBIHBKUBXSFF-AREMUKBSSA-N 414.549 5.413 0 40 HKAB O=C(Nc1cccc(F)c1)N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 20509672 SGJINCRNFRSPOR-LJQANCHMSA-N 422.847 5.440 0 40 HKAB O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)c1c(F)cccc1Cl 22766067 LQIRNQQRFRSOSE-FQEVSTJZSA-N 414.933 5.070 0 40 HKAB CCOC(=O)Nc1s/c(=N\c2ccccc2)n(CCCOC)c1-c1ccccc1 27015712 PAKVUARBLZFXCN-LNVKXUELSA-N 411.527 5.054 0 40 HKAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1cccc(Cl)c1Cl 28831402 TXVNSUYYLJBBJW-UHFFFAOYSA-N 413.717 5.163 0 40 HKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 30851340 FKCOUYASVBQHTN-QFIPXVFZSA-N 408.542 5.116 0 40 HKAB CC1(C)C[C@H](N(CC[C@@H](c2ccco2)C(C)(C)C)C(=O)c2cccs2)CCO1 32102101 AUESBSUVHLLSKA-MSOLQXFVSA-N 403.588 5.961 0 40 HKAB COc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(C)s3)sc2C)cc1 32716630 RVESNMKVSZKNFN-UHFFFAOYSA-N 400.525 5.099 0 40 HKAB CCCn1c(SCc2ccccc2Cl)nc2c(-c3ccccc3)cn(C)c2c1=O 33114542 FJDDDAFIMAFBCH-UHFFFAOYSA-N 423.969 5.758 0 40 HKAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(Cl)cc4)[C@H](O)[C@@]3(C)CC[C@@H]21 36614434 OOABHJLKLZEWKP-SLKQGJKLSA-N 408.969 6.259 0 40 HKAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2cc(F)ccc2F)c1OC(C)C 40268810 OEFVPCXXSKFKHE-OAHLLOKOSA-N 413.424 5.070 0 40 HKAB O=C(Nc1ccc(Oc2nc3ccccc3o2)cc1)c1ccccc1Br 51180958 AQCLJCZBVNKWJC-UHFFFAOYSA-N 409.239 5.635 0 40 HKAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(Cl)cc1Cl 59461315 KFCJKCXUTMQHNI-UHFFFAOYSA-N 405.262 6.222 0 40 HKAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c(F)c1 67294570 BYPQSQVZMLDTOD-VYIQYICTSA-N 406.844 6.018 0 40 HKAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72214954 VARSQZHWALDXGL-NRFANRHFSA-N 423.557 5.599 0 40 HKAB COc1cc(Cl)ccc1C(=O)NC1(c2nc(-c3ccsc3)no2)CCCCC1 77197556 RRZHMFMYBKKEKL-UHFFFAOYSA-N 417.918 5.050 0 40 HKAB CCN(C(=O)Nc1cccc(OC(F)F)c1C)[C@H]1CCN([C@@H](C)c2ccccc2)C1 79067940 XEQXWAKJRPHZNF-HKUYNNGSSA-N 417.500 5.286 0 40 HKAB COc1ccc(O[C@H](C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2)cc1 80344429 LEVFDZMEZDWMDI-FQEVSTJZSA-N 402.277 5.761 0 40 HKAB CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 106686760 JPGNFIOIHMUPCX-ODLFYWEKSA-N 401.915 5.611 0 40 HKAB O=C(CSc1nc2ccccc2o1)N1CCS[C@@H](c2ccccc2Cl)CC1 206991103 LRHKCSYIPXHPLD-GOSISDBHSA-N 418.971 5.280 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 224141392 ULUKELWTEHQNSJ-IQJJTXKVSA-N 418.562 5.322 0 40 HKAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1cccc(Cl)c1 224151614 NGMMVTIFDFXKSG-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB CCc1ccc(CC)c(CNC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 224199609 ZDQVXAAEWPBKJL-UHFFFAOYSA-N 407.941 5.974 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1COc1cccc(C)c1 224385912 YYPDVTSUPUPNBB-UHFFFAOYSA-N 421.493 5.242 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1cc(C)cc(C)c1 224534588 IMPPDMLPYKQLKW-UHFFFAOYSA-N 421.562 6.255 0 40 HKAB Cc1cc(NC(=S)NC(c2ccccc2)c2ccccc2)ccc1Br 225518730 IMTDCXQVULBTPM-UHFFFAOYSA-N 411.368 5.834 0 40 HKAB CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 225520534 GKTPHMURACVWPA-UHFFFAOYSA-N 412.549 5.387 0 40 HKAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(Br)cc1 225624592 SNCVTYMDYXPOFZ-UHFFFAOYSA-N 407.377 5.157 0 40 HKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225840785 AOFZNNHFDVVDNE-HXOBKFHXSA-N 407.551 5.211 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225848174 QEMAVRVOGXFRCT-HOYKHHGWSA-N 421.578 5.745 0 40 HKAB O=C(c1ccc(Cl)c(Cl)c1)N1c2ccccc2Sc2ccc(Cl)cc21 226363091 LLEWWOWUSGEEQF-UHFFFAOYSA-N 406.721 7.090 0 40 HKAB Nc1ccc(F)c(NC(=O)c2ccc(-c3ccc(Cl)cc3Br)o2)c1 226766123 DKLYEQPCYKFXMA-UHFFFAOYSA-N 409.642 5.336 0 40 HKAB OCc1ccccc1CN(Cc1ccccc1)Cc1cnn(-c2ccc(Cl)cc2)c1 257234481 GTRJBFAYBPDIMX-UHFFFAOYSA-N 417.940 5.220 0 40 HKAB Cc1ccccc1OCC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257247514 IZIBAMHIRPRLOC-LJQANCHMSA-N 424.928 5.012 0 40 HKAB CCCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccccc2OC)n(CC(C)C)n1 257337335 YSKKJWZOIUGQRB-UHFFFAOYSA-N 422.525 5.298 0 40 HKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 260775124 PIXKHMYUWUHNPK-IPHXSNPTSA-N 423.626 5.972 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(F)cc2)c1 408696508 AJBMXVJCBDDGJM-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2cccc(Cl)c2)c1C 408699371 TWXUCVRMHUARNN-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CC1=CC(C)(C)N(C(=S)NC(=O)c2cccc(Br)c2)c2ccccc21 832685 WLSLXYRWJZGAKL-UHFFFAOYSA-N 415.356 5.166 0 40 HKAB Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(SC3=NCCS3)n2)cc1 849816 ZJWBZFOKZAAIAQ-UHFFFAOYSA-N 408.556 5.171 0 40 HKAB COc1ccc(Oc2coc3cc(OCc4cccc(Cl)c4)ccc3c2=O)cc1 945051 ZQUJKRZEDQBSJV-UHFFFAOYSA-N 408.837 5.826 0 40 HKAB biogenic COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)cc3)c3ccccc3n2)cc1 990948 AZLHXVZLIOIBDF-UHFFFAOYSA-N 411.457 5.259 0 40 HKAB CC(C)(C)c1cc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc(C(C)(C)C)c1O 1816471 KHIKJXCMDHIUIT-LEWJYISDSA-N 420.553 5.157 0 40 HKAB biogenic O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccccc1Cl 2056749 IFMJRUAGOYSWMF-UHFFFAOYSA-N 417.679 6.707 0 40 HKAB c1ccc(-c2cc3c(n2C2CCCCC2)[C@@H](c2ccccc2)Oc2ccccc2-3)cc1 2060377 NCTOQEYBJNJCTI-GDLZYMKVSA-N 405.541 7.809 0 40 HKAB COc1cccc(-n2nc3c(Cl)nnc(-c4ccccc4)c3c2-c2ccccc2)c1 2181157 FGARYKVUTMPGPB-UHFFFAOYSA-N 412.880 5.812 0 40 HKAB CCCCn1c(C)c(C(=O)OCC)c2cc(OCC(=O)OCC)c3ccccc3c21 2251075 BNNZJIBPIKIZQU-UHFFFAOYSA-N 411.498 5.022 0 40 HKAB CCOc1ccc2nc(SCC(=O)c3cc(C)n([C@H](C)COC)c3C)sc2c1 2637664 TWFQRODKLGTIJP-CQSZACIVSA-N 418.584 5.296 0 40 HKAB Clc1ccc(Cn2cc3c(-c4ccc5c(c4)OCO5)nnc-3c3ccccc32)cc1 2689436 MMVGTVQCZMVAOO-UHFFFAOYSA-N 413.864 5.634 0 40 HKAB CCOc1ccc([C@H]2C[C@@H](c3ccc(OC(F)F)cc3)n3ncnc3N2)cc1Cl 2918178 SCRBMSSODOZNTF-SJORKVTESA-N 420.847 5.078 0 40 HKAB CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2)C(=O)C[C@H]1c1ccc(Cl)cc1 3048494 BEFCRPRWLMDBIP-IBGZPJMESA-N 418.320 5.347 0 40 HKAB O=C(COC(=O)c1ccc(CSc2ccc3ccccc3c2)cc1)c1ccccc1 3080547 SJXSDIOPLAINOL-UHFFFAOYSA-N 412.510 6.172 0 40 HKAB COCCN(CCOC)P1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 3174587 LTNUGNIXXVFYNX-UHFFFAOYSA-N 415.495 5.603 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)CCN1c2ccccc2Sc2ccccc21 3246818 OKWDBRFEHZAZIJ-UHFFFAOYSA-N 402.563 6.750 0 40 HKAB Cc1cc(C)c(C(=O)COC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1C 3322673 RCXCWTSCGCBRMA-UHFFFAOYSA-N 415.848 5.407 0 40 HKAB CCc1ccc(O[C@@H](C)C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)cc1 3655601 MIENEIJBEGSJKC-KRWDZBQOSA-N 413.473 5.632 0 40 HKAB O=C1c2ccccc2N[C@H](c2ccccc2Cl)N1c1ccc(Br)cc1 3664238 CXGMTHFIKVHDJJ-IBGZPJMESA-N 413.702 5.874 0 40 HKAB Cc1nc2cc(-c3ccc(Cl)c(Cl)c3)nn2c(C)c1Cc1cccc(F)c1 4014702 OOFYALGHWIZFHH-UHFFFAOYSA-N 400.284 6.050 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2cccc(Cl)c2)cc1 4715967 OJCPLSUAIPAHEA-LADGPHEKSA-N 420.896 5.600 0 40 HKAB Cc1ccc(Nc2c(-c3cc(Br)ccc3F)nc3ccc(C)cn23)cc1 4735107 DPQWSYNQCCTCGQ-UHFFFAOYSA-N 410.290 6.263 0 40 HKAB CCCCCOc1ccc(CSCCNC(=S)Nc2ccccc2)cc1Cl 4784789 QAXMNBBLHDNFBB-UHFFFAOYSA-N 423.047 6.129 0 40 HKAB CCCc1ccc(-c2csc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5=C(C)C)[C@@H]4C3=O)n2)cc1 4902214 GGWYDROXNIJJJZ-JWWGGVBKSA-N 406.551 5.244 0 40 HKAB CC(C)(C)c1ccc(CSc2nnc(COc3cccc4ccccc34)o2)cc1 4954619 HJMXAIWDEJTNPT-UHFFFAOYSA-N 404.535 6.392 0 40 HKAB CCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C)c(C)c4)c3c2c1 4969987 CUASVDWTGACGPF-UHFFFAOYSA-N 421.500 6.034 0 40 HKAB CCOc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4ccc(C)cc4cc23)cc1 5478639 MUSBHUSZIZPHIS-UHFFFAOYSA-N 402.498 5.200 0 40 HKAB OC1=Nc2c(cnn2C2CCCCC2)[C@@H](c2ccc(Br)cc2)SC1 5501356 RYAHVEFNYPFSQZ-QGZVFWFLSA-N 406.349 5.575 0 40 HKAB COc1cccc(Oc2cncnc2-c2ccc(OCc3ccccc3)cc2O)c1 5575375 ZXLKFSJQCRUTOH-UHFFFAOYSA-N 400.434 5.229 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccc1N1CCCC1=O 8191896 LIMUTALVPTUHBN-UHFFFAOYSA-N 413.502 5.342 0 40 HKAB c1ccc(Cn2c(SCc3nc4ccccc4o3)nnc2-c2cccs2)cc1 8270011 XXOVCFQJAXXPJP-UHFFFAOYSA-N 404.520 5.488 0 40 HKAB c1ccc(-c2noc(CCCN3CCC(c4nc5ccccc5s4)CC3)n2)cc1 8275291 WWQJLOGHDZXYFI-UHFFFAOYSA-N 404.539 5.159 0 40 HKAB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1cccc(Cl)c1F 8825783 VHNYZLDXSGUIGI-UHFFFAOYSA-N 424.859 6.068 0 40 HKAB CCN1C(=O)c2cccc3c(NC(=O)CCCSc4ccc(OC)cc4)ccc1c23 9474310 WSLKESWFLIGMAQ-UHFFFAOYSA-N 420.534 5.340 0 40 HKAB COc1cccc(Nc2nc(NCc3ccccc3)nc3c2cnn3-c2ccccc2)c1 9573609 DFXMAWFCZHOUJG-UHFFFAOYSA-N 422.492 5.180 0 40 HKAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc4ccccc4n32)cc1 9934502 SRTLTZRRKYXULS-XMMPIXPASA-N 424.504 5.281 0 40 HKAB COc1cc(SC)ccc1C(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 9986402 VBURGPLGGGCSDF-IBGZPJMESA-N 422.575 5.522 0 40 HKAB O=C(CCCSCc1ccccc1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 10616961 IIBLMWNALJTPPC-UHFFFAOYSA-N 422.619 6.341 0 40 HKAB Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)cc2)cs1 12562357 KLNRWMQSMXHRAA-NSHDSACASA-N 406.338 5.864 0 40 HKAB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 12913221 YMKVRDGUZDKBQI-KRWDZBQOSA-N 416.546 5.265 0 40 HKAB O=C(c1ccc(F)cc1Br)N1CCC[C@H](c2nc3ccccc3s2)C1 12979367 FYSPNEHRELGIHG-LBPRGKRZSA-N 419.319 5.218 0 40 HKAB Cc1cc(C)nc(SCc2ccccc2C(=O)N2CCC[C@H]2c2cccs2)n1 14021812 HIOMDTBBIYVHHH-IBGZPJMESA-N 409.580 5.425 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1C 14081815 ZUQVRMJCQFXWRQ-UHFFFAOYSA-N 420.460 5.023 0 40 HKAB COc1cc([C@H]2O[C@@H]3CCCC[C@@H]3c3sccc32)ccc1OCc1ccccc1 15023749 HKUBQVLWDXNOTL-XZDHIHRUSA-N 406.547 6.482 0 40 HKAB COc1ccc(/N=c2\scc(-c3cc4ccccc4o3)n2C[C@@H]2CCCO2)cc1 16045091 WPLDXJHYPBWAOY-OAFDPHIXSA-N 406.507 5.383 0 40 HKAB Cc1cc(Br)c(-c2nc3cc(Cl)ccc3o2)c(Br)c1N 16267681 CVHJYCMCIQCZRH-UHFFFAOYSA-N 416.500 5.564 0 40 HKAB Cc1ccc2cccc(NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)c2n1 16348850 YFGCVNYUSMUTFM-CSKARUKUSA-N 423.299 6.762 0 40 HKAB COC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 17090485 SRHIFIYZEXIYOI-DHZHZOJOSA-N 416.260 5.692 0 40 HKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 17093490 CPZGMOHYDKVESY-MRXNPFEDSA-N 423.354 6.233 0 40 HKAB CC(C)(C)C(=O)N[C@H](C[C@H]1CCCCN1Cc1ccccc1Cl)c1ccccn1 19081760 JIRXMUSMNLRCSB-DENIHFKCSA-N 413.993 5.383 0 40 HKAB COc1ccccc1CC(=O)N1CCC[C@@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 19691475 APBPFTXHDFXMEJ-HSZRJFAPSA-N 404.485 5.111 0 40 HKAB Cc1cc(C)c([C@@H](C)NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C 22540780 MCZGJHJVGZVWBX-HXUWFJFHSA-N 416.521 5.007 0 40 HKAB CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(Cc1ccccc1)C2 23153856 VBKOTDOZGCZROG-UHFFFAOYSA-N 419.575 5.542 0 40 HKAB COc1cccc([C@H]2CN[C@@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c32)c1OC 23982845 DZUAOPYJKPTDSH-XXBNENTESA-N 418.924 5.663 0 40 HKAB O=C(NCCSCc1ccco1)c1ccccc1-c1ncc(-c2ccccc2)o1 29979973 IFGDVUFPGSVSTI-UHFFFAOYSA-N 404.491 5.265 0 40 HKAB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1ccc(Br)cc1 35647598 KYPNGYSNEKASBN-LDADJPATSA-N 409.308 5.494 0 40 HKAB Cc1ccc(-c2cc(-c3ccc(C)cc3C)n(-c3cc(Cl)cc(Cl)c3)n2)c(C)c1 36611286 KUDLZZDSAKWBPM-UHFFFAOYSA-N 421.371 7.747 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38849516 DLYBNFBXSXMVDE-UHFFFAOYSA-N 411.760 5.806 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38849556 SNYOLBATJNGAGP-HNNXBMFYSA-N 411.760 5.806 0 40 HKAB CC(C)c1ccc(N(C(=O)CCc2cnn(C)c2)c2nc3ccccc3s2)cc1 40156644 RQGFNQMAJFMCBG-UHFFFAOYSA-N 404.539 5.451 0 40 HKAB C[C@@]12CC3CC(NC(=O)c4ccc(-c5ccc(Cl)cc5Cl)o4)(C1)C[C@](C)(C3)C2 41107593 QAZXPZMVYBKJCE-LSFYCGQFSA-N 418.364 6.732 0 40 HKAB Cc1ccccc1[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 44838638 YUEVDVJUISPILV-OAQYLSRUSA-N 420.361 5.511 0 40 HKAB COc1cccc([C@H]2CC(O)=Nc3c(-c4cccc(Cl)c4)nsc32)c1OC 44918533 GZEYFSUGSZKOGY-CQSZACIVSA-N 400.887 5.604 0 40 HKAB C[C@]1(N2CCCCC2)C(=O)c2cc(Br)ccc2O[C@H]1c1ccccc1 55125044 SOUITRDHKQNZDX-SFTDATJTSA-N 400.316 5.010 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCC(c2nc3ccccc3s2)CC1 58163982 SLZXYGURMXYSNX-MRXNPFEDSA-N 403.551 5.537 0 40 HKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 59268018 BNJBJIBQFOHVJA-UHFFFAOYSA-N 408.310 5.337 0 40 HKAB CC(C)(C)c1ccc(C(=O)NC2(c3nc(-c4ccncc4)no3)CCCCC2)cc1 65257884 RQWYQEAPRUPCNU-UHFFFAOYSA-N 404.514 5.019 0 40 HKAB O=C(Nc1ccccc1SC[C@@H]1CC1(Cl)Cl)c1cccc(OC(F)F)c1 72272692 UONRYFLSYOEINU-LBPRGKRZSA-N 418.292 5.826 0 40 HKAB O=C(CCCc1ccccc1)N1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 72359157 WIPMSWXMBNJWGK-NRFANRHFSA-N 403.501 5.012 0 40 HKAB Cc1cc(S(=O)(=O)Nc2cnc3ccccc3c2)c(C(C)C)cc1Br 72414276 AWGCYQPUJDHZRZ-UHFFFAOYSA-N 419.344 5.230 0 40 HKAB CC(C)(C)c1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1 73639688 QNWHUEKJYVLKGD-UHFFFAOYSA-N 406.323 7.222 0 40 HKAB CC(=O)c1c(C)cc(C)c(C[S@](=O)Cc2cc(Cl)c3c(c2)OCCCO3)c1C 84076886 DSGZMOJGWIOCGT-NDEPHWFRSA-N 420.958 5.078 0 40 HKAB O=C(Nc1ccc(-c2nc(C3CC3)no2)cc1Cl)c1ccc(C(F)(F)F)cc1 96006662 QXIFGWGGQDYJAY-UHFFFAOYSA-N 407.779 5.539 0 40 HKAB CC1(C)CC2=NC(Nc3nc4ccccc4o3)=N[C@@H](c3ccccc3Cl)C2=C(O)C1 102666368 GZEGGDOMJPLPKO-FQEVSTJZSA-N 420.900 6.077 0 40 HKAB COc1ccc2ccccc2c1/C=C1\SC(=O)N(CCOc2ccc(C)cc2)C1=O 106782051 FCHVQKSUWBBNBG-JCMHNJIXSA-N 419.502 5.272 0 40 HKAB Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)CC(C)(C)O2 222731730 KOFBSQOJZYYGCD-SFHVURJKSA-N 424.393 5.954 0 40 HKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 222977798 FPLPRNLQNRFRNE-NRFANRHFSA-N 422.613 5.250 0 40 HKAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)c1 223017070 CTZDQDDOAABVIS-KRWDZBQOSA-N 407.535 5.487 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(OC(C)C)cc2)c1 223302000 IZMKXFHHMRPLNQ-JCMHNJIXSA-N 420.534 5.253 0 40 HKAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(CSc2ccccc2)cc1 223666944 SBERSPQXWWPRNS-UHFFFAOYSA-N 419.590 6.085 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1ccccc1 224362758 XCUAWCCRUNXKFD-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1ccccc1Cl 224476767 YOJCWQLLPYWGEB-UHFFFAOYSA-N 409.913 6.132 0 40 HKAB Cc1ccc([C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1 224609981 PVYSQSWREXBLBP-CEZZIEKDSA-N 404.535 5.013 0 40 HKAB Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCC1 225022006 QVWWEPHHPWPNPZ-PKTZIBPZSA-N 402.567 5.096 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1Sc1ccccc1 225371890 CAHOKXAKTOLKML-UHFFFAOYSA-N 402.346 6.716 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCCC1 225375421 ILTIJKZDWHQUBO-UHFFFAOYSA-N 405.325 5.191 0 40 HKAB CN(C)CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 225526400 JSLWVWGGXUIJKQ-UHFFFAOYSA-N 400.950 5.121 0 40 HKAB C[C@H](NC[C@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)[C@H]1C[C@H]2CC[C@H]1C2 245240038 KARZSFYUDKYCEY-QFNSLMPFSA-N 401.635 5.554 0 40 HKAB COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)cc1 253534298 MDGYGSZQYJUTBN-GGBHNLLPSA-N 408.582 5.373 0 40 HKAB CCc1ccc(CNC(=S)c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1 408575446 OIOSUCDQYWBHSY-UHFFFAOYSA-N 409.526 5.441 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cccc(OC(C)C)c4)ccc3o2)c1 408620695 IVGRANGWMKMEJY-UHFFFAOYSA-N 400.478 6.151 0 40 HKAB CC(C)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 408621073 JNOQVBQLXSTTSB-FMIVXFBMSA-N 400.305 7.029 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 408693976 GKOSDNCMZJPGJA-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(C)cc2)cc1 408697412 HDCLXLPYIRKINE-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3)n2)c(C)c1 408724264 JFOJSJSQZCSVQD-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB CCOc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 409110135 SCPJIZCPTLDKDU-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB CCOc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc(Br)c1O 409117904 MBUICKSNLRKDNK-SXGWCWSVSA-N 416.315 5.097 0 40 HKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc2ccccc12 409179253 QTDWQJIJGDWFRB-DEOSSOPVSA-N 400.861 6.274 0 40 HKAB CCCCCc1c(Br)c(O)c(Br)c(O)c1Br 1889006683 YXAOEHCFKQTLPA-UHFFFAOYSA-N 416.935 5.118 0 40 HKAB Cc1ccc(-c2cc(C(=O)N3CCCCCC3)c3cc(Br)ccc3n2)cc1 651943 QEIMKJFJQHTEKD-UHFFFAOYSA-N 423.354 5.989 0 40 HKAB Cc1cc2cc(CN(Cc3ccco3)C(=S)Nc3ccccc3)c(=O)[nH]c2cc1C 878752 PMIBLQYQEMZHOE-UHFFFAOYSA-N 417.534 5.137 0 40 HKAB Cc1c(C(=O)Nc2ccccc2Cl)c2ccccn2c1C(=O)c1ccc(Cl)cc1 984157 KHDDJAVZBUITDO-UHFFFAOYSA-N 423.299 6.038 0 40 HKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C=C/C=C/c1ccccc1 1783231 WMRCUAOBXZRUQK-JMQWPVDRSA-N 421.493 5.939 0 40 HKAB COC(=O)c1c(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)sc2c1CCCC2 1956803 RLOTWIKZOGGULA-ZDUSSCGKSA-N 421.946 5.090 0 40 HKAB O=C(CSc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1)c1ccccc1 2265885 CNXWFCYKESMAPD-UHFFFAOYSA-N 422.506 5.663 0 40 HKAB O=C1CCCC[C@@H]1[C@@H](Nc1ccccc1I)c1ccccc1F 2270265 SPVGWJWUNDFZNC-LIRRHRJNSA-N 423.269 5.343 0 40 HKAB COc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccc(Cl)cc5)c(C)nn4c3C2)cc1 2339457 JYHNDASNQCXJPR-KRWDZBQOSA-N 417.896 5.279 0 40 HKAB Cc1c(C(=O)O)cc(-c2ccccc2)n1CCSCc1c(F)cccc1Cl 2380627 GMWHKVOTUSCEPG-UHFFFAOYSA-N 403.906 5.888 0 40 HKAB O=c1c(-c2ccccc2)coc2cc(OCc3ccc(Br)cc3)ccc12 2425133 WLKKUPOKCGIOCO-UHFFFAOYSA-N 407.263 5.802 0 40 HKAB biogenic O=C(CSc1nnc(-c2cccs2)o1)Nc1ccc(Oc2ccccc2)cc1 2639459 UWQRMZNACIRBAT-UHFFFAOYSA-N 409.492 5.321 0 40 HKAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1nnc(C2CC2)s1 2654460 RXKICRJTEDZGKH-ZDUSSCGKSA-N 418.872 5.163 0 40 HKAB CCCCc1ccc(NC(=O)CSc2nccn2-c2ccc(OCC)cc2)cc1 2723222 UKIBEJAEYXEKFO-UHFFFAOYSA-N 409.555 5.344 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)c2cccc(COc3ccc4ccccc4c3)c2)cc1 2775954 VCSDAVAYEBLZEN-FQEVSTJZSA-N 409.529 7.185 0 40 HKAB COc1ccccc1Cn1c(SCc2ccccc2Cl)nc2ccccc2c1=O 2970009 XMDAMEVWKUSONT-UHFFFAOYSA-N 422.937 5.399 0 40 HKAB CCOc1c(C(C)C)cc(NS(=O)(=O)c2ccc3ccccc3c2)cc1C(C)C 3138963 XPEOQDZFNGQROI-UHFFFAOYSA-N 411.567 6.286 0 40 HKAB O=C1/C(=C/NCc2ccc(Cl)cc2)c2ccccc2C(=O)N1c1ccccc1Cl 3176048 CEEXROUHRMEZST-XMHGGMMESA-N 423.299 5.311 0 40 HKAB CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 3978783 HCXVJBMSMIARIN-FDTSYMMWSA-N 412.702 7.801 0 40 HKAB biogenic,in-vitro Cc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(C)c(Cl)c4)c3n2)cc1 4705012 RSJIDOKZPHWCNS-UHFFFAOYSA-N 415.846 6.685 0 40 HKAB COc1ccc(S[C@@H](CC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1OC 5055047 FNFMQSFFQOMTQD-QHCPKHFHSA-N 412.938 6.464 0 40 HKAB O[C@H](COC(c1ccccc1)c1ccccc1)CN1CCC(Cc2ccccc2)CC1 5602853 LNOOMIWKLWUWAM-MHZLTWQESA-N 415.577 5.108 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccnc2)N2CCCCC2)c1C 5721692 BMEILHJASUCBME-QFIPXVFZSA-N 405.567 5.588 0 40 HKAB c1csc(Cc2nnc(SCc3cn4ccccc4n3)n2C2CCCCC2)c1 5903062 VILLEVHLDIQGOW-UHFFFAOYSA-N 409.584 5.376 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1OCc1ccccc1 6174558 HNHBLEOMGJSDAJ-UHFFFAOYSA-N 401.384 5.545 0 40 HKAB Cc1ccc(C)c(NC(=O)CN(C)c2ncnc3scc(-c4ccccc4)c23)c1 6836710 AGOQTTLWWWSACO-UHFFFAOYSA-N 402.523 5.050 0 40 HKAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 6882202 PCBOHLBUQPONFF-UHFFFAOYSA-N 415.445 5.329 0 40 HKAB COc1cccc(NC(=O)Nc2ccc(C)c(NC(=O)Nc3cccc(OC)c3)c2)c1 6938389 ZFMBHVSAUVHWAV-UHFFFAOYSA-N 420.469 5.300 0 40 HKAB O=C1Nc2ccccc2/C1=C\c1cn(CCOc2ccccc2Cl)c2ccccc12 7098648 JJNVRLSXOJDKAJ-HMMYKYKNSA-N 414.892 5.866 0 40 HKAB CCc1ccc2oc(-c3ccc(NC(=O)c4c(OC)cccc4OC)cc3)nc2c1 8087666 VNKOUWKWNHUDOD-UHFFFAOYSA-N 402.450 5.327 0 40 HKAB COc1ccc([C@@H]2CC(c3ccco3)=Nc3c(-c4ccccc4)c(C)nn32)cc1OC 8570228 SIICSETXNJFIFK-FQEVSTJZSA-N 413.477 5.583 0 40 HKAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3cccc4c(Cl)cccc34)sc2c1 8903674 NOSCZOUFBJFPII-UHFFFAOYSA-N 424.909 5.920 0 40 HKAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1 8981766 UUNOBFWYMRSCNY-KRWDZBQOSA-N 420.582 5.062 0 40 HKAB CCCCCCOc1ccc(/C=C/C(=O)Nc2nc3ccccc3s2)cc1OC 9089593 YXOQFCWIGIEEEB-WYMLVPIESA-N 410.539 5.916 0 40 HKAB Cc1ccc(-c2nnc(SCc3cc4c(cc3Cl)OCO4)c3ccccc23)cc1 12176783 LFYWHHWBQKVCDU-UHFFFAOYSA-N 420.921 6.280 0 40 HKAB CN(C(=O)C1CC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCCC2)cs1 12237277 SZPPIVAQTKBAQU-UHFFFAOYSA-N 423.582 5.042 0 40 HKAB COc1ccc(CCC2CCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)cc1 12763796 SPECWBRRMUNXRA-UHFFFAOYSA-N 421.368 5.285 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc2sccc2n1Cc1ccc(F)cc1 13083098 YHQGQNPMRMBPPJ-UHFFFAOYSA-N 419.308 6.449 0 40 HKAB Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)n1 13228270 POBASQDFOMJYLC-HSZRJFAPSA-N 410.473 5.370 0 40 HKAB Cc1c(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)sc2cccc(F)c12 14704192 KVGIMTYZEFEMDA-LJQANCHMSA-N 413.564 6.260 0 40 HKAB C[C@@H](c1ccccc1)N(C)C(=O)c1cc(Br)c(Br)s1 15578334 JUTJDONTXMQETP-VIFPVBQESA-N 403.139 5.106 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2sc3ccccc3c2Cl)N2CCC(C)CC2)o1 15860486 SJPDUUIUGGUBKZ-QGZVFWFLSA-N 416.974 5.659 0 40 HKAB Cc1ccc(F)cc1NC(=O)CSc1ncc(-c2cccc(Br)c2)o1 16841106 YYNGFDTZGJFKSW-UHFFFAOYSA-N 421.291 5.282 0 40 HKAB Cc1cccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3cccc(C)c3)c2Cl)c1 17087636 GQLGTYUTXILETA-UHFFFAOYSA-N 407.344 7.189 0 40 HKAB C[C@@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(F)c(F)c1 17315420 MQKNJTRUZWOXAJ-QGZVFWFLSA-N 404.464 5.122 0 40 HKAB Cc1cccc(Cc2ccc([C@@H]3CCCN(C(=O)c4c(C(C)C)noc4C)C3)nc2)c1 19690367 KJQREPDUBXLRGJ-JOCHJYFZSA-N 417.553 5.420 0 40 HKAB CC(C)C[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccccc1 20110628 RGUZLPXQDUMSNE-LJQANCHMSA-N 406.389 5.586 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20499995 NEQIHZHDTZAYMZ-MHZLTWQESA-N 422.528 6.764 0 40 HKAB O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1ccc(Br)cc1 22458602 VMLQFRDXGVPRDZ-UHFFFAOYSA-N 420.266 5.418 0 40 HKAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)c1ccccc1 32876772 VSEDFYRGGQHCJF-SJLPKXTDSA-N 404.539 5.459 0 40 HKAB CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)NCCC3=CCCCC3)cc12 32986717 JZFGJVFOYATYPO-UHFFFAOYSA-N 414.549 6.229 0 40 HKAB O=C(COc1cccc(-c2noc(-c3ccccc3)n2)c1)Nc1ccc(Cl)cc1 33327232 HBVZPAXPDDDMHY-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB COc1ccc(C2=NN3[C@H](c4ccc(SC)cc4)Oc4ccccc4[C@H]3C2)cc1 36352260 QJZDLKHYCOZPOP-VWNXMTODSA-N 402.519 5.659 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 38849575 ZKOYFBIPLUBRJC-UHFFFAOYSA-N 421.766 5.262 0 40 HKAB S=C(Nc1ccccc1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 40487517 KZBAMOIOGRXNBO-WZLFYSJBSA-N 423.585 6.680 0 40 HKAB CC[C@H](NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 59292192 FMFJEAFOOKAWQL-RBUKOAKNSA-N 400.906 5.109 0 40 HKAB COc1cccc(Cn2c(SCc3ccc(F)cc3F)nc3ccccc3c2=O)c1 67258808 XUNQWQGVFJSKAT-UHFFFAOYSA-N 424.472 5.024 0 40 HKAB O=C(C1CCC1)N1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 72349341 DRWCATOVWFCLQX-GOSISDBHSA-N 402.460 5.197 0 40 HKAB Nc1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2Cc2ccc3[nH]ccc3c2)n1 72377289 WZXARPNQEVDIPW-QFIPXVFZSA-N 401.489 5.073 0 40 HKAB FC(F)(F)c1cccc(Cc2nn3c(-c4cc5ccccc5o4)nnc3s2)c1 96193839 UBGOKPFHOQSIDS-UHFFFAOYSA-N 400.385 5.209 0 40 HKAB COc1cccc([C@H]2C3=C(O)C[C@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)c1 102731781 KFGYHJXYFUCIBA-OPAMFIHVSA-N 402.450 5.305 0 40 HKAB C1=C(c2ccccc2)N=C(c2ccccc2)[C@@H]2[C@@H](c3ccccc3)N2[C@H]1c1ccccc1 104188766 XBVYAFOZBSKPOK-HQRSTYDCSA-N 412.536 6.697 0 40 HKAB CCc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 113958795 UGCHSIUBNBCBPY-UHFFFAOYSA-N 412.577 5.956 0 40 HKAB C=CC[C@H](CCCCCCCCCCC)OC(=O)[C@H](OC(C)=O)c1ccccc1 136046928 PFHQGJZBISBLGP-DNQXCXABSA-N 402.575 6.700 0 40 HKAB CCn1c(S/C(=C\c2sccc2C)C(=O)O)nnc1-c1ccc(Cl)cc1 211522748 LRWDEOCXSDFRBW-GDNBJRDFSA-N 405.932 5.206 0 40 HKAB Cc1ccc(CN2C(=O)S/C(=C/c3c(OC(C)C)ccc4ccccc34)C2=O)cc1 214584202 HRHJMVUINDCDIW-OEAKJJBVSA-N 417.530 6.172 0 40 HKAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222804453 IEXOMWUTYONIFH-MOPGFXCFSA-N 418.349 5.641 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccccc1C(C)(C)C 224167878 INXQWCJLYTVSDH-UHFFFAOYSA-N 417.549 6.441 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1CSc1ccccc1 224326036 BAKBYRWKUTYMCD-UHFFFAOYSA-N 417.452 6.259 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccccc1C 224373813 LJSJNARNTBIANZ-UHFFFAOYSA-N 413.876 6.018 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1COc1ccccc1C 224375479 DATZYKIMFORMKI-UHFFFAOYSA-N 419.477 5.012 0 40 HKAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1cc(C)cc(C)c1C 224607342 WYXOJWFUDNAGRV-UHFFFAOYSA-N 417.549 5.562 0 40 HKAB CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224967265 IQGDSGIPXDSAHY-UHFFFAOYSA-N 401.915 5.231 0 40 HKAB COc1ccccc1-c1ccc(CC2(C(=O)NCC3CCCCC3)CCOCC2)cc1 257213654 CINSOJBTKQTXBQ-UHFFFAOYSA-N 421.581 5.398 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H]([C@@]5(C)CCC(=O)O5)[C@@]4(C)CC[C@H]32)C1 257373179 ZSUHSKYVVTXINZ-UTYCNODKSA-N 414.586 5.593 0 40 HKAB CC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)CC1 408709328 ZRXPGKIWXCYXDH-NFOMZHRRSA-N 411.373 5.067 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1SCc1ccccc1 408711457 YTTJJXAVIOMWJR-UHFFFAOYSA-N 421.871 6.903 0 40 HKAB C[C@@H](CC(=O)Nc1ccc(I)cc1)Cc1ccc(Cl)cc1 831957 DMWPAKITKKUJKZ-GFCCVEGCSA-N 413.686 5.152 0 40 HKAB Cc1cccc(C(=O)N2CCc3cc(-c4csc(NC5CCCC5)n4)ccc32)c1 1354360 PCABHUDFVHCGPB-UHFFFAOYSA-N 403.551 5.676 0 40 HKAB C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)N4CCCC[C@H]4C)c23)C1 1377303 IXWLNZLYENNOTA-ZIAGYGMSSA-N 415.628 5.187 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3cc(C)ccc3C)c3ccccc3n2)cc1 1851426 XGFFFHORASTCJR-UHFFFAOYSA-N 409.485 5.867 0 40 HKAB COc1ccc(CCNc2ncnc3sc(C)c(-c4ccc(F)cc4)c23)cc1OC 1927609 GPNNMWGTNFQNCI-UHFFFAOYSA-N 423.513 5.478 0 40 HKAB O=C(Nc1csc(C(F)(F)F)c1-c1ccccc1)C(Cl)=C(Cl)Cl 2158612 VIASASSBNGKDHH-UHFFFAOYSA-N 400.636 6.258 0 40 HKAB COc1ccccc1-n1c(SCc2ccccc2)nc2sc3c(c2c1=O)CCC3 2296880 FGFHWDCGKMSGFO-UHFFFAOYSA-N 420.559 5.237 0 40 HKAB CCOC(=O)COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 2302926 IVOFIQRVHUNMTG-UHFFFAOYSA-N 417.892 6.164 0 40 HKAB Cc1cccc(-n2c(SCc3ccccc3)nc3sc4c(c3c2=O)CCC4)c1 2313997 SDITWZWQMQDNDE-UHFFFAOYSA-N 404.560 5.537 0 40 HKAB COc1cccc(-c2nnc(SCc3ccccc3Cl)n2-c2ccccc2)c1 2356016 JEJOVZGUFAALCZ-UHFFFAOYSA-N 407.926 5.889 0 40 HKAB O=C(/C=C/c1cccs1)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 2658487 RKGHMHCQJRNGMR-TZZQJPOUSA-N 406.938 5.844 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(CCc1ccccc1)C3=O 2703593 SXZHPZARURCANV-QHCPKHFHSA-N 413.448 5.028 0 40 HKAB CCCCSc1nnc(CSc2nc(C)cc(C)n2)n1CCc1ccccc1 2706261 GFXAIZWFWOZCDR-UHFFFAOYSA-N 413.616 5.112 0 40 HKAB O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2)c(Cl)c1)c1ccc(Cl)cc1 3076686 IAAKTROZCSKRMU-UHFFFAOYSA-N 419.695 6.151 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)c2ccc3ccccc3n2)c2ccccc2)c1 3222063 LVOGQNYUEKOXOK-DEOSSOPVSA-N 410.473 5.388 0 40 HKAB CCOc1ccccc1N1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 3313770 GVUNZSKPLHTEEF-UHFFFAOYSA-N 416.550 5.084 0 40 HKAB CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 3346983 LOZQWMZOLAWHJU-UHFFFAOYSA-N 413.502 5.688 0 40 HKAB O=C(Oc1ccc(-c2nc(-c3ccc(Br)cc3)no2)cc1)c1ccccc1 3584859 UUBAQJGFMQNZJU-UHFFFAOYSA-N 421.250 5.385 0 40 HKAB Cc1cc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)ccc1Cl 4109797 PBLLLVVJMQIYHQ-UHFFFAOYSA-N 412.839 5.285 0 40 HKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)Cc4ccccc4)cc3n2)cc1 4554823 WZFLJCUBKSGCKF-UHFFFAOYSA-N 418.928 5.598 0 40 HKAB S=C(Nc1ccccc1Cl)N(CCc1nc2ccccc2[nH]1)Cc1ccccc1 4861860 UHRVERNZMBMAHG-UHFFFAOYSA-N 420.969 5.658 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1 5136251 PPZALLGUVDPUAH-UHFFFAOYSA-N 420.534 5.381 0 40 HKAB COc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)c1 5256158 SGOSZVMLIMPMNM-HXUWFJFHSA-N 416.308 5.441 0 40 HKAB COc1ccccc1-c1nnc(SCc2cc(C)on2)n1-c1ccc(Cl)cc1 5260110 OSJAUYPAMQQHIJ-UHFFFAOYSA-N 412.902 5.185 0 40 HKAB COc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 6075418 UWPZKHNSOUTDEM-UHFFFAOYSA-N 417.940 6.080 0 40 HKAB Cc1ccc(-c2ccc(CCC(=O)O)n2CCOC23CC4CC(CC(C4)C2)C3)cc1 6845939 UMAVFLHUXYJKNI-UHFFFAOYSA-N 407.554 5.466 0 40 HKAB O=C1S/C(=C/c2cccn2-c2ccccc2F)C(=O)N1Cc1ccc(Cl)cc1 7093374 CLWBRDAMVIBSHA-XDHOZWIPSA-N 412.873 5.506 0 40 HKAB Cc1cccc2c(=O)[nH]c(/C(Cl)=C/c3ccc(OCc4ccccc4)cc3)nc12 7136643 ACRVTHPQTHVTBD-STZFKDTASA-N 402.881 5.547 0 40 HKAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 7504811 PZKOTOVSVYTIQU-XMMPIXPASA-N 402.494 5.619 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)c3ccccc3F)n2[C@H]2CCCC[C@H]2C)c1 8343513 FPBLAXXYHNAJKA-UTKZUKDTSA-N 423.557 6.119 0 40 HKAB c1csc(-c2cccc3c(-c4ccc(-c5cccc6ccccc56)s4)cccc23)c1 8384578 VPIKXISHIBRTOP-UHFFFAOYSA-N 418.586 9.117 0 40 HKAB COc1cc(CNC2C3CC4CC(C3)CC2C4)ccc1OCc1ccccc1Cl 8472106 LETPGRNUVXHYTH-UHFFFAOYSA-N 411.973 5.842 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1c1ccccc1F 8753203 DWBSKQKOCPEUQQ-QGZVFWFLSA-N 419.887 5.398 0 40 HKAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2Cl)c(OC)c1OC 8994607 DSMDNHXHFWWSDN-JOCHJYFZSA-N 424.884 5.137 0 40 HKAB O=C(Nc1ccccc1SCc1ccccc1)C1CCN(C(=O)c2ccco2)CC1 9217703 JHMPSLBVJWNCNX-UHFFFAOYSA-N 420.534 5.063 0 40 HKAB CCC[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 9530557 GXLDTVIDFYRCTI-JOCHJYFZSA-N 401.510 5.008 0 40 HKAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc2nc(-n3cccc3)sc2c1 9531966 RONWMSVMLCOZLF-UHFFFAOYSA-N 420.925 5.194 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1NS(=O)(=O)c1ccccc1 10328809 FKBWOCQHQNSKMY-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB FC(F)(F)c1ccccc1CSc1nnc(CN2CCCC2)n1-c1ccccc1 12132559 PFEAQDVSUADOIM-UHFFFAOYSA-N 418.488 5.174 0 40 HKAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccc(NC(C)=O)cc3)on2)cc1 12154154 JWOUYKNCRXCROE-XMMPIXPASA-N 419.525 5.426 0 40 HKAB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 12563427 WEAWFUMNQFSUHW-XMMPIXPASA-N 411.896 5.823 0 40 HKAB FC(F)(F)c1nc(N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c2ccccc2n1 12568277 XATWHGKBCVSBBX-QGZVFWFLSA-N 415.415 5.151 0 40 HKAB CCN(C(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)CCCCC2)c1ccccc1 13038873 WUTLZVKYTBMYIV-GOSISDBHSA-N 416.521 5.102 0 40 HKAB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cc3c(F)cccc3Cl)n2)cc1C 13960638 YMDGVYUPZZELMV-UHFFFAOYSA-N 418.943 7.292 0 40 HKAB Cc1cc(C)nc(SCc2ccccc2C(=O)N2CCC[C@@H]2c2cccs2)n1 14021809 HIOMDTBBIYVHHH-LJQANCHMSA-N 409.580 5.425 0 40 HKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 14022813 RZKHVDQKCKTIAG-DVECYGJZSA-N 416.521 5.282 0 40 HKAB COc1ccc(-c2cc(OCC(=O)Nc3ccc(F)cc3)c3ccccc3n2)cc1 16843072 JWCKSEVRCKADLX-UHFFFAOYSA-N 402.425 5.067 0 40 HKAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccc2c(c1)OCCO2 17170350 ANINZPPWCBLJFQ-UHFFFAOYSA-N 413.307 5.202 0 40 HKAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1nc2ccccc2s1 17201220 MJSVMHUBLATUHG-UHFFFAOYSA-N 412.348 6.040 0 40 HKAB FC(F)(F)c1cc(-c2cccs2)nc2c(-c3cccc(Br)c3)cnn12 20034016 VFSSTWRJXSJKSD-UHFFFAOYSA-N 424.245 5.906 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Sc2ccc(OC)c(OC)c2)cc1 20454544 ASZTWBSOJAZVOM-UZLBHIALSA-N 417.571 5.097 0 40 HKAB CSc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1 24990587 IXBQCYXILWBZCN-UHFFFAOYSA-N 403.507 5.192 0 40 HKAB CCc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N(CC)CC)cc1 28290562 BUFXSSHAJDAMGC-DEOSSOPVSA-N 410.602 5.125 0 40 HKAB Cc1cccc(O[C@H](C)C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1C 30757172 HBFPXBXCMDNCEN-LJQANCHMSA-N 407.485 5.105 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1 38752742 QCGIIURDTUHJLL-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1cc(Br)ccc1SCC(=O)Nc1ccc(-c2csnn2)cc1 40157864 JHQNDXUGIBEBIG-UHFFFAOYSA-N 420.357 5.007 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(Cn3cnc(C(=O)Nc4ccccc4C)c3)cc2)c1 49422218 UTACADUXNJXYFZ-UHFFFAOYSA-N 424.504 5.053 0 40 HKAB O=C(Nc1[nH]ncc1-c1cccc(Cl)c1)c1ccc(C2SCCS2)cc1 58023025 JQZUJYPRWWAXOZ-UHFFFAOYSA-N 401.944 5.461 0 40 HKAB O=C(Nc1c(Cl)ccc2nsnc12)c1cc(Br)ccc1Cl 59294440 GWIOPQCXIFUACU-UHFFFAOYSA-N 403.088 5.013 0 40 HKAB Cc1nc(-c2ccccc2Cl)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 65575167 DNQGYLFXUYQZAJ-UHFFFAOYSA-N 418.950 5.118 0 40 HKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1)C1CC1 72215348 BGZCNRBXNRELBS-QFIPXVFZSA-N 407.558 5.713 0 40 HKAB Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3cccc(Cl)c3)C2)cc1 89632084 JYDMCYWBZQFGFY-QFIPXVFZSA-N 410.926 5.188 0 40 HKAB CCCNC(=O)Nc1nc(C23C[C@H]4C[C@@H](CC(c5ccc(C)cc5)(C4)C2)C3)cs1 101132811 YPDRVCJKCVJVLY-JSODFGIGSA-N 409.599 5.773 0 40 HKAB COc1ccc([C@H]2C3=C(O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)cc1 102664203 RPIXHMSOMGWMFB-BTYIYWSLSA-N 406.873 5.005 0 40 HKAB Cc1noc2c1[C@H](c1ccc(O)cc1)C1=C(O)C[C@@H](c3ccc(Cl)cc3)CC1=N2 102726480 CZKNMTLOUFCOHR-BTYIYWSLSA-N 406.869 5.950 0 40 HKAB O=C(NCc1ccccn1)c1ccc2c(c1)[C@H]1[C@H]([C@@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 102732331 NNDAFHZMYZKVOO-OSBNRRGQSA-N 409.533 5.308 0 40 HKAB Cc1ccc(N2C(=O)/C(=C/Nc3ccc(F)cc3Cl)c3ccccc3C2=O)c(C)c1 103005191 HELRUSLHISLDRI-CPNJWEJPSA-N 420.871 5.736 0 40 HKAB Cc1cccn2cc(-c3cccc(NC(=O)[C@@H](c4ccc(Cl)cc4)N(C)C)c3)nc12 141548027 VYTOKBUGNFDMLK-JOCHJYFZSA-N 418.928 5.205 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1C(C)C 223376188 POCXIOZWQRKVGN-UXHICEINSA-N 411.586 6.204 0 40 HKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 223784832 YXGYGPANIJRTAS-OALUTQOASA-N 415.971 5.372 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2OC)cc1COc1cccc2ccccc12 224303039 MQTDQPWSKRFMEM-UHFFFAOYSA-N 413.473 5.688 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccc(OC)cc1 224597435 NEVICQRIRFPZDQ-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc[nH]2)N1c1ccc(Oc2ccccc2)cc1 224626440 HNLRYXJCRYXJKU-PKTZIBPZSA-N 412.518 5.379 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1)c1ccc(C)cc1C 224811725 MUCIMXCGZAAFRA-VNLJKWRZSA-N 416.521 5.243 0 40 HKAB CCOC(=O)c1cc(NC(=S)N[C@H](CC(C)C)c2ccccc2)ccc1Cl 225494953 VQZMFORFRYESHS-LJQANCHMSA-N 404.963 5.591 0 40 HKAB CC[C@@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(C)cc1C 225717008 USNHJUUEXGMNOE-JOCHJYFZSA-N 409.599 5.367 0 40 HKAB Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3cc(Cl)ccc3Cl)oc12 226286553 VIAGXIYJCWTXKP-UHFFFAOYSA-N 409.272 6.270 0 40 HKAB COc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 227147661 PXCDAWLUTGJKKU-UHFFFAOYSA-N 421.678 5.206 0 40 HKAB Cc1c(Cl)cccc1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408622280 PMJROXKCYOIULA-UHFFFAOYSA-N 423.299 6.043 0 40 HKAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 408626525 HVESJHCDGDUSCX-QGZVFWFLSA-N 403.551 5.345 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(F)cc2)cc1C 408697797 JQNPOMQMWFJDEE-UHFFFAOYSA-N 414.484 5.559 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2cc(C)ccc2C)cc1 408699392 WPWLCXPZGKKUPO-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB CN(Cc1ccccc1)C(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409112789 DATILWJQUJZDMO-WTBBXUJBSA-N 422.572 6.255 0 40 HKAB Cc1cccc(OCc2ccc(C(=O)OC(c3ccccc3)c3ccccc3)cc2)c1 409183264 RAQGSVLFPQERTE-UHFFFAOYSA-N 408.497 6.520 0 40 HKAB COc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409338058 CEEHBPSRRDHNAK-MHZLTWQESA-N 420.512 6.061 0 40 HKAB O=C(c1ccccc1-c1ccccc1)N1CCC2(CC1)CO[C@H](Cc1ccccn1)C2 2037797793 LWLZZGIXTWOBBU-HSZRJFAPSA-N 412.533 5.003 0 40 HKAB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccc(F)cc1 822168 XVJJAQJZWSQPCK-UHFFFAOYSA-N 417.552 6.249 0 40 HKAB NC(=O)c1sc2nc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c2c1N 863295 UCCPBCQKEIRDHW-UHFFFAOYSA-N 414.317 5.618 0 40 HKAB COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(F)cc2F)cc1 1093966 HHCFKZYOFFNXDF-DEOSSOPVSA-N 418.443 5.243 0 40 HKAB C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)Nc4ccccc4)c23)C1 1377247 QTVGRXBYXOZYDC-CYBMUJFWSA-N 409.580 5.424 0 40 HKAB O=C(Nc1ccccc1)Nc1ccccc1Sc1ncc(C(F)(F)F)cc1Cl 1381986 ZCKIFBCPVBUJNE-UHFFFAOYSA-N 423.847 6.549 0 40 HKAB Clc1ccc(OCCn2ccc(-c3cnc(-c4ccccc4)s3)n2)c(Cl)c1 1389014 AUFPFSHHKXZYAD-UHFFFAOYSA-N 416.333 6.059 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 1751035 HNAHBPWEICNZAK-XBXARRHUSA-N 423.752 6.346 0 40 HKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 1934563 ZSKSUKMANXGFKW-UHFFFAOYSA-N 413.395 5.019 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)OC3CCCCC3)n2-c2ccccc2)c1 2074330 DZTKUCRGUVKXJI-UHFFFAOYSA-N 407.539 5.211 0 40 HKAB Cc1ccc(Cl)cc1N1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 2122538 PMPMYXVFXBXJTC-UHFFFAOYSA-N 403.865 5.778 0 40 HKAB biogenic CC(=O)C1=NN(c2ccc(C)cc2)[C@H](c2c[nH]c3ccccc23)N1c1ccc(C)cc1 2137785 GIBYQCCPYXZBHY-AREMUKBSSA-N 408.505 5.713 0 40 HKAB CN(C)C1(c2nnnn2[C@H](/C=C/c2ccc(Cl)cc2Cl)C(C)(C)C)CCCC1 2181932 HMFZJGNSWBAPTK-SXAWMYDMSA-N 422.404 5.611 0 40 HKAB CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 2341756 FYPKZLLQZVEDCY-UHFFFAOYSA-N 423.925 5.770 0 40 HKAB CCCCSc1nc(NCc2ccco2)c2c3c(sc2n1)COC(C)(C)C3 2378045 MNDGCFNYBMMFGK-UHFFFAOYSA-N 403.573 5.640 0 40 HKAB CCOc1ccc2c(c1)S/C(=C/c1cccc(OCc3ccccc3)c1)C(=O)N2 2636191 NEBCXSIEGKMSNH-OEAKJJBVSA-N 403.503 5.750 0 40 HKAB O=C(O)c1ccccc1Sc1cc(-c2nc3ccccc3s2)c2ccccc2n1 2645072 WCNLVBVIRKGUDS-UHFFFAOYSA-N 414.511 6.361 0 40 HKAB CCCCCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1 2721864 WLJOGKFSQJDTKC-UHFFFAOYSA-N 411.932 5.703 0 40 HKAB CCCCC[C@H](CC)CNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 3164246 WQNGSNPQUQVMSC-NRFANRHFSA-N 409.510 7.488 0 40 HKAB CCOc1ccccc1NC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 3457247 RFFGOTQXLBLSGC-UHFFFAOYSA-N 414.556 5.028 0 40 HKAB O=C1OCC[C@@H]1Sc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 3483259 GGRCBIVNESOHBQ-HNNXBMFYSA-N 412.342 5.165 0 40 HKAB C[C@@H]1Cc2ccccc2N1Cc1cc(=O)c(OCc2ccc(Cl)c(Cl)c2)co1 4304670 ORCXHHZIZZPIFS-CQSZACIVSA-N 416.304 5.477 0 40 HKAB O=Cc1ccc(N2N=C(c3ccccc3)C[C@H]2c2cccc(Br)c2)cc1 4309531 ZBFGUNKAPKWWOX-QFIPXVFZSA-N 405.295 5.617 0 40 HKAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OCc4ccccc4)c2)N3)C1 4556410 HGEDHWMJSKJKHU-QFIPXVFZSA-N 419.550 5.134 0 40 HKAB CC(C)(CO)NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 4657410 FQLRZWAWRXIZSK-UHFFFAOYSA-N 404.337 5.586 0 40 HKAB Cn1c(-c2ccc(Br)cc2)cnc1NCc1ccc(Cl)c(Cl)c1 4678208 BLPJQDWLVRJIKF-UHFFFAOYSA-N 411.130 5.769 0 40 HKAB O=C(Nc1ccccc1N1CCCC1)c1cccc(-c2cc3ccccc3oc2=O)c1 5158164 VUJKZSAGNSGRFG-UHFFFAOYSA-N 410.473 5.313 0 40 HKAB CCSc1nc(NCCCN(CC)CC)c2c3c(sc2n1)CO[C@](C)(CC)C3 5215575 FOMUKPAOHOSUHR-OAQYLSRUSA-N 422.664 5.189 0 40 HKAB CCCN1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccccc3Cl)=NN12 5499859 JWEDLZSOKGASAB-JOCHJYFZSA-N 409.961 5.394 0 40 HKAB O=C(Nc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1)c1ccccc1 5610760 CQJMRXGXGBKGCM-UHFFFAOYSA-N 405.910 6.459 0 40 HKAB Cc1ccc(NCN2C(=O)S/C(=C\c3cccc(Br)c3)C2=O)c(C)c1 6195469 RCNDLSDTJGLEHI-YVLHZVERSA-N 417.328 5.172 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccco4)c3)nc2c1 6243325 XENWYNMQPYEFTO-AWEZNQCLSA-N 419.506 5.728 0 40 HKAB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/C=C/c1ccccc1 6356069 QYEWIKUOADPXHO-FRTNPWNCSA-N 410.315 5.220 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1Cl 6418491 WHSWHDBIMLOSSW-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)Cc1c(Cl)cccc1Cl 6469124 FNGJGPPNHDHUKP-PMUMKWKESA-N 401.330 5.083 0 40 HKAB c1csc(-c2cc(-c3nnc(SC[C@H]4CCCCO4)o3)c3ccccc3n2)c1 6580113 DNSONBSJEGMJIM-CQSZACIVSA-N 409.536 5.675 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 6630747 YLFLYHJPIDKJSC-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB COc1ccc(N[C@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1Cl 6638758 VYQSSOFCOFOYGL-QFIPXVFZSA-N 408.885 5.343 0 40 HKAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 7381449 UPMVVYXUBXXHRD-JOCHJYFZSA-N 402.494 5.619 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 7649289 JLTRQAMQKUPFNP-GOSISDBHSA-N 402.494 5.219 0 40 HKAB CCC(C)(C)c1ccc(OCCCc2nc(-c3ccccc3)no2)c(C(C)(C)CC)c1 7986354 LEKHIZILLVYEGC-UHFFFAOYSA-N 420.597 7.123 0 40 HKAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc(Cc2nc3ccccc3s2)cc1 8230240 LWQJGVPPDPMXNS-FQEVSTJZSA-N 414.486 5.127 0 40 HKAB CCOCCCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1 8253184 VOMPWRPDUANGQV-UHFFFAOYSA-N 412.357 5.487 0 40 HKAB O=C(O)CC/C(=C\c1c[nH]nc1-c1ccc(Cl)cc1)c1nc2ccccc2s1 8708073 CAXKJXVRAKJTSM-SDNWHVSQSA-N 409.898 5.745 0 40 HKAB O=C(Nc1nc2c(Cl)cccc2s1)c1cc(Br)ccc1Cl 9426164 AJMQAGZOORGLMR-UHFFFAOYSA-N 402.100 5.618 0 40 HKAB CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccccc3SC(F)F)ccc12 10208165 JQHYQLGRZNMXQJ-UHFFFAOYSA-N 419.449 5.078 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2N[C@H](C)c2ccccc2)cc1 12419409 DATRELRAOYMALU-MRXNPFEDSA-N 408.479 5.249 0 40 HKAB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)Cc3cccc(C)c3)n2)cc1 12441919 WPHXGRGEXLSWLG-UHFFFAOYSA-N 402.523 5.102 0 40 HKAB COc1ccc(/C=C/C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1OC 12569056 SFGLCPFGKPPWKZ-IMAOXBOFSA-N 411.548 5.014 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 12582118 CJXLAZCJVZXDAK-STSQHVNTSA-N 423.553 5.274 0 40 HKAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@H]1c1nc2ccccc2s1 12789971 HVQDLJKFAWOTJT-HNNXBMFYSA-N 413.351 5.129 0 40 HKAB CSc1nc(Sc2cc(Cl)ccc2Cl)c2cnn(-c3ccccc3)c2n1 12953189 CRKJTEPLOMQXSH-UHFFFAOYSA-N 419.362 5.995 0 40 HKAB Cc1cccc(OCCCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1 13566142 VQDKJHUNHSVGHB-HXUWFJFHSA-N 419.569 5.318 0 40 HKAB COc1ccc(-c2c/c(=N\c3ccc(Nc4ccccc4)cc3)c3ccccc3o2)cc1 13689432 RFODNLYZRJNFPM-URGPHPNLSA-N 418.496 7.084 0 40 HKAB CC(C)Oc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14664114 MCYOWBKHIUQHGL-UHFFFAOYSA-N 414.549 5.021 0 40 HKAB COc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 16195497 RUIVDWXRGFMVGJ-UHFFFAOYSA-N 420.311 6.010 0 40 HKAB CCOc1cccc(C(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)c1 16693203 SAGWLDQHPZRHMA-UHFFFAOYSA-N 422.488 5.533 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)n2)cc1 17088170 IQRFLCLAXUVGFE-UHFFFAOYSA-N 409.294 5.386 0 40 HKAB COc1ccc2oc(-c3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3)nc2c1 17090624 IYJOCAHWXUOAFE-UHFFFAOYSA-N 416.477 5.791 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc2c(c1)OCCO2 17093332 IYFKKHNQMNQSKN-UHFFFAOYSA-N 422.893 5.640 0 40 HKAB COc1cccc(C(=O)N2CCC[C@H]2c2cc(-c3ccccc3)cc(C)n2)c1OC 19690760 CSVXFPJKXQHJSJ-QFIPXVFZSA-N 402.494 5.052 0 40 HKAB CSC1=NC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)N=C1c1ccc(C)c(C)c1 20578167 OKCXICDZWMCBAL-UHFFFAOYSA-N 424.545 5.031 0 40 HKAB CCc1ccc(NC(=O)COc2cccc3ccc(N4CCC[C@@H](C)C4)nc23)cc1 22714724 LGAYWUPVGMOIMN-GOSISDBHSA-N 403.526 5.051 0 40 HKAB Cc1nc(NC(=O)c2cccc3ccccc23)sc1-c1nc(-c2cccs2)no1 31813635 FUJLXIPXCBMIGS-UHFFFAOYSA-N 418.503 5.636 0 40 HKAB O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccccc1Cl 32115114 IAMPOGXMMWBKIH-UHFFFAOYSA-N 419.214 6.332 0 40 HKAB CCNc1nc2c(s1)[C@@H](c1cccc(OCc3ccccc3Cl)c1)CC(=O)N2 35327355 HUPFOYPGLOSXPB-MRXNPFEDSA-N 413.930 5.281 0 40 HKAB CSc1ncc(-c2ccc(Br)cc2)n1-c1cccc(C(F)(F)F)c1 44087866 MBOWZLLYGABZSO-UHFFFAOYSA-N 413.262 6.043 0 40 HKAB COc1cccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2nc3ccccc3s2)c1 49651002 SDYJWEITIBOSNG-HSZRJFAPSA-N 417.534 5.117 0 40 HKAB Cc1ccccc1-c1cc(C(=O)Nc2cccc(F)c2F)c2cnn(C(C)C)c2n1 60139546 INYPINFXFQECMA-UHFFFAOYSA-N 406.436 5.518 0 40 HKAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(C)c(Cl)c3)oc12 67299117 UHJTZLOMPHJQJM-RWEWTDSWSA-N 422.868 5.159 0 40 HKAB CCC(CC)(NC(=O)Nc1cccc(-c2nnco2)c1)c1ccc(Cl)c(Cl)c1 72271038 SQBLZCOFIMHCAG-UHFFFAOYSA-N 419.312 5.880 0 40 HKAB CCOc1cc(CO)cc(Br)c1OCc1c(Cl)cccc1Cl 95095224 CEEXFLOVYISSPP-UHFFFAOYSA-N 406.103 5.226 0 40 HKAB COc1ccccc1-c1cc(C(F)(F)F)nc(N2C[C@]3(C)C[C@@H]2CC(C)(C)C3)n1 101246194 QTODJWROFYDYQA-LHSJRXKWSA-N 405.464 5.576 0 40 HKAB CCCCn1nc(C)c2c(C(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c(Cl)c(C)nc21 101568506 RCAGSOYIKVEZOW-YYQUZTFQSA-N 402.970 5.056 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1 108013496 KNTXIFXNOPQUKE-QGZVFWFLSA-N 400.950 5.861 0 40 HKAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1Cc1ccc(F)cc1 169616483 JTDNFYAOHPSUBJ-VPBXCIAMSA-N 411.476 5.064 0 40 HKAB CCOc1ccc(-c2cnc(NCc3c(F)cccc3Cl)n2C[C@@H](C)CC)cc1 199420745 KMWKEWVYZSXGBS-INIZCTEOSA-N 415.940 6.400 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2cccc(Cl)c2)cc1OCC 216266348 ZRMNDTAMCXLFCB-KXBFYZLASA-N 405.922 5.172 0 40 HKAB Cc1ccccc1OC[C@@H](C)NC(=O)c1cccc(OCc2ccccc2Cl)c1 219846505 GFFIJEBVWZLYBQ-GOSISDBHSA-N 409.913 5.425 0 40 HKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)NC4CCCCCCC4)ccc32)c1 223085583 LLEHKODCFMYWRA-UHFFFAOYSA-N 404.554 5.431 0 40 HKAB CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC 223415940 QWEKHZRMNDYBLD-HSZRJFAPSA-N 414.977 5.516 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1COC(C)C 224430658 JTWHXJRNQYYLAT-UHFFFAOYSA-N 407.535 6.024 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(CN3CCCCC3)cc2)c1 224536228 OCDXAWDGQFJNIX-NRFANRHFSA-N 408.586 5.188 0 40 HKAB CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1cc(C)cc(C)c1C 224606723 IHGZZAUAXTWIJN-UHFFFAOYSA-N 421.581 6.210 0 40 HKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1C 225341299 ALOJNMWRHKNBCA-DHIUTWEWSA-N 420.582 5.001 0 40 HKAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)[nH]1 225382623 WSSCCWQBMRTWTD-GOTSBHOMSA-N 418.566 5.217 0 40 HKAB Cc1cc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)ccc1N1CCCC1=O 225661299 MHOJXKVVKFJSBP-SFHVURJKSA-N 409.599 5.165 0 40 HKAB CCCCCCOc1ccc(C(=O)Nc2ccccc2I)cc1 408586311 MRXRQYNOSBPDOQ-UHFFFAOYSA-N 423.294 5.503 0 40 HKAB CCOc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccccc1 408608367 LIBIUODWOQTTQQ-UHFFFAOYSA-N 411.885 5.628 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408643884 RZFUVUORFRLASZ-VIFPVBQESA-N 418.107 5.292 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccccc2)cc1C 408697359 GPKXKMAEJGPWQH-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)cc3C)n2)cc1 408699247 SKHPPCFMYKRTDC-UHFFFAOYSA-N 410.521 5.674 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3cccc(C)c3)n2)cc1 408727367 WCHRTIBOENSHMS-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)S1 408802621 ZLIDPUVSUCDQDN-UHFFFAOYSA-N 414.510 5.401 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 409053153 LLPNEXMDAJRHKM-UHFFFAOYSA-N 412.961 5.437 0 40 HKAB CCOC(=O)c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1cccc(Br)c1)N2 409189942 OBJNYJPLZJNMNR-LSTHTHJFSA-N 416.315 5.260 0 40 HKAB Fc1ccccc1Cn1cc(C(=S)N2CCc3ccccc3C2)c2ccccc21 409197671 LVBRELIYHOYSRN-UHFFFAOYSA-N 400.522 5.563 0 40 HKAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)C1=O 409242779 SZXMAPADXMUZQX-WOJGMQOQSA-N 419.308 5.184 0 40 HKAB O[C@@H]1[C@H](NCc2ccccc2)CC[C@H]1N(Cc1ccccc1)Cc1ccccc1Cl 585261192 BTGRSLFUNMPQFJ-TWJOJJKGSA-N 420.984 5.024 0 40 HKAB CC(C)c1ccc2c(c1)[C@H]1O[C@@H](CCc3ccccc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264799 NUUZLWWDZBTTEX-HOUBMWHVSA-N 408.538 5.761 0 40 HKAB O=C(N[C@@H](c1cccs1)C1CCOCC1)c1ccc2noc(-c3ccccc3)c2c1 618256128 NYVSVXMTYSUYAI-JOCHJYFZSA-N 418.518 5.454 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1cccc(NC(=O)Nc2ccc(Cl)cc2)n1 822431 LYFIOUUOPGHZGI-UHFFFAOYSA-N 416.268 5.676 0 40 HKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=S)Nc3ccc(F)cc3)C3CCCC3)cc12 878645 IYXHDGQJZNHJNR-UHFFFAOYSA-N 423.557 5.426 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)c(NC(=O)c3ccc(OCC)cc3)c2)cc1 1017091 SIPWUDGAAOITIC-UHFFFAOYSA-N 418.493 5.297 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCC(c2nc3ccccc3[nH]2)CC1 1326539 BBRDRHVIDQQZNA-UHFFFAOYSA-N 422.838 5.647 0 40 HKAB C[C@@H]1CCCN(C(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C2CCCC2)C1 1340052 IILKUTLAFGZVDE-MRXNPFEDSA-N 418.006 5.669 0 40 HKAB CCOC(=O)c1ccc(Cl)c(NC(=O)CC(c2ccccc2)c2ccccc2)c1 2073495 LJVULNYVPIDUKO-UHFFFAOYSA-N 407.897 5.677 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2143944 ULGRQRBMPZLIDA-UHFFFAOYSA-N 413.770 6.108 0 40 HKAB CCOc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)cc1 2184785 VXHMMWWSNNDXPJ-UHFFFAOYSA-N 421.518 5.664 0 40 HKAB CCCCOc1ccc(-c2nc(-c3cccc(Br)c3)cc(=O)o2)cc1 2285102 RYFFMDYCSUAUHC-UHFFFAOYSA-N 400.272 5.310 0 40 HKAB CCOC(=O)c1c(-c2cccs2)csc1N/C=C1\C(=O)N(C)c2ccccc21 2287350 SUBXNGSRBURWBW-KAMYIIQDSA-N 410.520 5.083 0 40 HKAB CCCCSc1nc2ccc(NC(=O)c3cccc(Br)c3)cc2s1 2388999 VFACBGLKYMBXGH-UHFFFAOYSA-N 421.385 6.203 0 40 HKAB Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)c1 2684580 HYIXMRVFUPJVDP-UHFFFAOYSA-N 414.534 5.282 0 40 HKAB CC[C@H](C)c1ccc(-c2csc(NC(=O)c3cnccn3)c2C(=O)OC(C)C)cc1 2761060 VTSGVOGLYIBVBM-HNNXBMFYSA-N 423.538 5.536 0 40 HKAB CCOc1ccc2nc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2c1 3213973 DEXMZYPDFPRIDM-UHFFFAOYSA-N 402.475 5.178 0 40 HKAB C[C@H](Sc1cc(C(=O)Nc2ccccc2C(F)(F)F)c2ccccc2n1)C(=O)O 3241835 KUCKIBQFKREIHH-NSHDSACASA-N 420.412 5.071 0 40 HKAB O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)c1ccc(-c2ccccc2)cc1 3294921 JBQRDDGVUONUPQ-UHFFFAOYSA-N 400.352 5.292 0 40 HKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)/C=C/c3cccc(F)c3)cc2)cc1 3320710 RQZYJCLYOZRXEB-CAOOACKPSA-N 403.497 6.958 0 40 HKAB O=C(COc1ccc(Cl)cc1)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 3383357 YPGKTFJPKWWDAC-UHFFFAOYSA-N 415.276 5.263 0 40 HKAB CCOC(=O)c1c(C)n(CCc2ccc(Cl)cc2)c2c1cc(O)c1ccccc12 4499394 LXGCJKALBLGPMF-UHFFFAOYSA-N 407.897 5.881 0 40 HKAB CCOc1ccc(NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc23)cc1 4614680 GWYHJPFMVBBWAV-UHFFFAOYSA-N 424.544 6.751 0 40 HKAB Cc1cccc(-n2ncc3c(N(Cc4ccccc4)Cc4ccccc4)ncnc32)c1 4659348 MFUYVMPPKYYMIY-UHFFFAOYSA-N 405.505 5.331 0 40 HKAB CCc1cccc2c1NC(=O)C2(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12 4660209 JWQHVISTGNUFIM-UHFFFAOYSA-N 419.528 6.115 0 40 HKAB CCc1sc(NC(=O)c2ccc(NC(=O)C(CC)CC)cc2)nc1-c1ccccc1 4731898 ZDEMMLYSXQUNIY-UHFFFAOYSA-N 421.566 6.000 0 40 HKAB COc1ccccc1NC(=O)CSc1nc2ccccc2cc1CC1CCCC1 4857793 LDQKENXTBUTUJX-UHFFFAOYSA-N 406.551 5.707 0 40 HKAB Cc1ccc(OCCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1C 4910948 PRPWLDQTYNFWOH-FQEVSTJZSA-N 419.569 5.237 0 40 HKAB O=C(Cc1ccccc1)Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 5279751 GIHQHDISAHLCIY-UHFFFAOYSA-N 413.502 5.244 0 40 HKAB COc1cccc(-c2nc3c(c(SCCc4ccccc4)n2)COC(C)(C)C3)c1 5306556 BBNZCPHYBHKBBZ-UHFFFAOYSA-N 406.551 5.338 0 40 HKAB CN1c2ccccc2C[C@H](C(=O)Nc2cccc(Br)c2)c2ccccc21 5334750 NMUNLGFLEQQUSB-IBGZPJMESA-N 407.311 5.495 0 40 HKAB Cc1cc2oc(=O)cc(COC(=O)c3cc4ccccc4cc3O)c2cc1C(C)C 6122423 JQCJRUCIPAVNJP-UHFFFAOYSA-N 402.446 5.441 0 40 HKAB COc1ccc(Cl)cc1-c1nnc(S)n1-c1ccc(Oc2ccccc2)cc1 6181974 ABXLFGKDZJURFL-UHFFFAOYSA-N 409.898 5.677 0 40 HKAB Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)CCC(C)(C)Cl)c3)nc2c1 6276197 VUAAPPBRURFNEG-UHFFFAOYSA-N 415.946 5.414 0 40 HKAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1coc2c(C)c(C)ccc12 6879702 JUVBEPHAIKLKMK-UHFFFAOYSA-N 421.415 5.275 0 40 HKAB CCc1ccc2nc(NC(=O)c3c(C)oc4c(F)c(F)c(F)c(F)c34)sc2c1 6934739 WVMKKSBXFRSTJX-UHFFFAOYSA-N 408.376 5.722 0 40 HKAB CC(C)n1c(SCC(=O)N[C@H](c2ccccc2)c2cccs2)nc2ccccc21 7243292 IHCVXGVQOVNCCY-JOCHJYFZSA-N 421.591 5.677 0 40 HKAB O=C(Nc1ccc2c(c1)C(=O)c1ccccc1-2)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 7871163 PXZNJGGPGOIEDI-UHFFFAOYSA-N 423.512 6.211 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1SC[C@H]1CCCO1 7919466 SBEQFAUZNRQQQK-OAQYLSRUSA-N 405.519 6.002 0 40 HKAB Cc1noc(C)c1CSc1ccccc1C(=O)OCC(=O)c1ccc(Cl)cc1 7987770 DQTHFQQLWDJYFI-UHFFFAOYSA-N 415.898 5.277 0 40 HKAB O=C(Nc1ccccc1Br)c1ccccc1OCCOc1ccccc1 8158189 YFUWTDGKMYSKDI-UHFFFAOYSA-N 412.283 5.159 0 40 HKAB O=C(CN(C1=NCCCCC1)c1ccc(Br)cc1)c1ccc(F)cc1 8418604 VCAIIPGPAPTZEB-UHFFFAOYSA-N 403.295 5.250 0 40 HKAB CC(C)Sc1ccccc1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 8498211 UCGWMZODBIKFSZ-UHFFFAOYSA-N 418.562 5.412 0 40 HKAB CC1=C(C)[C@H](Nc2cccc(C(F)(F)F)c2)N([C@H](C)CCc2ccccc2)C1=O 9113666 VFGKZQCEBFNUTJ-QVKFZJNVSA-N 402.460 5.643 0 40 HKAB Cc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c1 9428725 NUEBGDQMLSEJKP-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 9607778 ULCZYWYTIDVCBH-UHFFFAOYSA-N 410.901 5.048 0 40 HKAB O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)N1CCCCC1 12377808 GBVCEPAFFBNJKS-NXVVXOECSA-N 407.517 5.718 0 40 HKAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2nc(-c3cccs3)cs2)cc1 12740825 KKMQMVFOZHZPHD-UHFFFAOYSA-N 415.540 5.400 0 40 HKAB COC(=O)c1ccc(-c2ccc(/C=C(\CC(=O)O)c3nc4ccccc4s3)o2)cc1 14123800 ZXYINBAHIFMLJJ-FOWTUZBSSA-N 419.458 5.358 0 40 HKAB CCOc1ccc(Nc2ncccc2C(=O)OCc2coc(-c3ccccc3)n2)cc1 15088030 KOTGRCNLTZCHSY-UHFFFAOYSA-N 415.449 5.236 0 40 HKAB N[C@@H](Sc1nc(=O)n(C2CCCCC2)c2c1CCC2)c1cccc2ccccc12 15840355 NDHNCJKBQJOWDB-QFIPXVFZSA-N 405.567 5.140 0 40 HKAB Cc1nc2ccccc2nc1COc1cccc(OCc2nc3ccccc3nc2C)c1 16265465 PPZTZXWRDHQGSA-UHFFFAOYSA-N 422.488 5.348 0 40 HKAB Fc1ccc(CCNCc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 16399621 AZLZCAXRZQNFIJ-UHFFFAOYSA-N 404.312 6.044 0 40 HKAB O=C1N(C2CCCCC2)[C@H](/C=C\c2ccccc2)C1(c1ccccc1)c1ccccc1 17141760 QIYGYEUUHVKTEQ-WALQADBYSA-N 407.557 6.230 0 40 HKAB Cc1cccc(C2(O)CCN(Cc3c(-c4cccs4)[nH]c4ncccc34)CC2)c1 19234512 MEDYKEOZOYNTGI-UHFFFAOYSA-N 403.551 5.083 0 40 HKAB Cc1cc(C(F)F)n2ncc(C(=O)Nc3nc(-c4cc(C)sc4C)cs3)c2n1 19714897 UVBDKRHPSWPEJY-UHFFFAOYSA-N 419.482 5.029 0 40 HKAB CCc1ccc(NC(=O)c2nnc3c(-c4cccc5ccccc45)cnn3c2C)cc1 19817183 AMOVPLLPENKVER-UHFFFAOYSA-N 407.477 5.068 0 40 HKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc(Br)ccc1Cl 20138484 CHVQCPHZJQBNPS-UHFFFAOYSA-N 420.690 5.416 0 40 HKAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)OCc1nc(-c2ccsc2)no1 21741470 HDWCZSITHNVZLD-UHFFFAOYSA-N 417.899 5.240 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)NCc1ccc(-c2ccc(Br)cc2)o1 22197107 HVVAWJCRLXSEFZ-UHFFFAOYSA-N 409.283 5.049 0 40 HKAB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N[C@@H](C)c2ccccn2)cc1 24975953 XYTCMRPLBPFNEV-INIZCTEOSA-N 417.484 5.188 0 40 HKAB CCc1ccc(OC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)cc1 28290451 RKPKDXMOMBPSRS-UHFFFAOYSA-N 402.878 5.343 0 40 HKAB Cc1cc(C)c2oc(C(=O)N(Cc3ccc(Cl)cc3)c3ccccn3)c(C)c2c1 28292724 YHSVPWLCMQVBBC-UHFFFAOYSA-N 404.897 6.253 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(OCCSc2ccccc2)cc1 30870117 QYCMRJGVWYWIQL-UHFFFAOYSA-N 401.890 5.903 0 40 HKAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(-c2ccc(Cl)cc2)o1 32118919 KCSFBOLTRPYMKY-UHFFFAOYSA-N 414.958 5.029 0 40 HKAB O=C(NCc1ccccc1C(F)(F)F)c1sc2ncccc2c1-n1cccc1 33171369 JTMLDIASOPRLKB-UHFFFAOYSA-N 401.413 5.036 0 40 HKAB O=C(NCc1cccc(F)c1)c1ccccc1SC[C@@H]1CCCN2CCCC[C@@H]12 33435704 LPNFTHYQNAWEIM-UGKGYDQZSA-N 412.574 5.112 0 40 HKAB O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(-c2c(Cl)cccc2Cl)o1 35648061 LLQAOUQTVYILGM-BOPFTXTBSA-N 415.301 6.336 0 40 HKAB COc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc(Br)c1OC 36611897 WGOCDDRYCBZBFO-HNNXBMFYSA-N 412.283 5.094 0 40 HKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Br)c(Cl)c1 38756557 DOLJSHFIKGGXPU-CQSZACIVSA-N 403.103 5.552 0 40 HKAB O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCC(Cc2ccccc2)CC1 39773262 QEHDMFHZVXAVRH-UHFFFAOYSA-N 410.989 5.033 0 40 HKAB CCCCCc1ccc(OCC(=O)Nc2cccc(I)c2)cc1 39964465 WZMGCOJPKAKIKM-UHFFFAOYSA-N 423.294 5.041 0 40 HKAB O=C(CN[C@H](c1ccccc1)c1cccs1)Nc1ccc(N2CCCCCC2)cc1 57270645 NNBODUYSYNVXCN-RUZDIDTESA-N 419.594 5.446 0 40 HKAB Clc1ccc(COc2ccc([C@H]3NN=C(c4ccccc4)S3)cc2)cc1Cl 59409051 ZDSHYNQYRTZVGY-NRFANRHFSA-N 415.345 6.269 0 40 HKAB CCc1nc(C)c2c(C)c(C(=O)N(C)[C@H](C)c3sc(C(C)C)nc3C)sc2n1 89289891 LNJBRTLLHQELSJ-CQSZACIVSA-N 416.616 5.592 0 40 HKAB Cc1ccc(CNC(=O)c2ccc3onc(-c4csc(-c5ccccc5)n4)c3c2)o1 96154480 OZXNNGQQXIJDIA-UHFFFAOYSA-N 415.474 5.450 0 40 HKAB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)CC[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 100580025 QLBWEDTZLSUCNV-NDBXHCKUSA-N 411.501 5.162 0 40 HKAB Cc1ccc(C)n1-c1nc2ccc(C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)cc2s1 101487146 VKQUIFGZSYDHHM-KOSHJBKYSA-N 407.583 5.745 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 104389988 TUSXZTCDJYJYBO-BVYCBKJFSA-N 420.852 5.417 0 40 HKAB CCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C\C(=O)O 144368509 RMLKCUDDJZHVOL-FCQUAONHSA-N 424.666 7.992 0 40 HKAB COc1cc2ccccc2cc1C(=O)NCCSCc1ccc(Cl)c(Cl)c1 216374687 JRPOVMFFRLJINU-UHFFFAOYSA-N 420.361 5.818 0 40 HKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OCc2ccccc2)cc1 222737714 SKENXKFKWFQYSG-LJQANCHMSA-N 401.506 5.550 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)c1ccccc1 223028116 QFPUQOYLXXAMLB-QFIPXVFZSA-N 407.897 5.676 0 40 HKAB COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1C(C)C 223323351 WQYJMNBOJNUMHT-CQSZACIVSA-N 413.942 5.100 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](CC)C(=O)NC2CCCC2)cc1 224147767 DOUGIWMIXHDZJU-RUZDIDTESA-N 420.597 5.048 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccccc1C(C)(C)C 224167945 FUWMLBTZASVOTF-UHFFFAOYSA-N 417.549 6.441 0 40 HKAB Cc1ccc(OCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1C 224276624 AANDIYPPMJDDKM-UHFFFAOYSA-N 409.913 5.345 0 40 HKAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1cccc(Cl)c1 224491496 IVDNEOFVQSVGBH-UHFFFAOYSA-N 409.913 5.590 0 40 HKAB S=C1N[C@](Cc2ccccc2)(c2ccc(-c3ccccc3)cc2)NN1c1ccccc1 225350740 KFYDEKUQGWFYEE-MHZLTWQESA-N 421.569 5.648 0 40 HKAB Cc1cccc([C@@H](NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)c1 225873391 PEWUSLZSOPRFJZ-LVXARBLLSA-N 401.550 6.100 0 40 HKAB CC[C@@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 253529971 KZJWDPNRJALLNS-CSXAPQLGSA-N 414.718 8.025 0 40 HKAB biogenic COc1ccc(C(=O)O)cc1-c1cc(-c2cccc(F)c2)n(Cc2ccccc2)n1 257319489 VSULBURMSGSEQK-UHFFFAOYSA-N 402.425 5.111 0 40 HKAB COc1ccc(NC(=O)COc2ccc(CNc3ccc(C)c(C)c3)cc2Cl)cc1 408554968 GNNCULUSZMCLGR-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB S=C(NCc1ccc(Cl)cc1)c1ccc(OCc2ccccc2Cl)cc1 408578193 WQDRRPSLKAEFQL-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)cc3C)n2)c1 408698172 LSHNIIHAPWKSSA-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc3c(c2)OCO3)C1=O 408800953 QLCXKCKXRWDYAN-KDNRWNGDSA-N 421.542 5.469 0 40 HKAB COc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1 409114564 HJBQRUXUMAHGAZ-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB O=C1c2cccc3cc(Br)cc(c23)C(=O)N1c1ccc2ccccc2c1 993817 NGDHGKYTHUUJTP-UHFFFAOYSA-N 402.247 5.556 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1 1262706 JMYWBVYJEQMIEM-UHFFFAOYSA-N 400.478 5.944 0 40 HKAB CCc1ccc2nc(-c3ccccc3)nc(SCC(=O)N3CCC(C)CC3)c2c1 1367655 PRIARYKPSRQCPN-UHFFFAOYSA-N 405.567 5.210 0 40 HKAB Clc1ccccc1-c1nc2ncccc2n1OCc1c(Cl)cccc1Cl 1400246 ZTJAGKYATNRVNM-UHFFFAOYSA-N 404.684 5.687 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)c2ccccc12 2052024 ZBBXBDNKVCQIMA-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB CCCCCC[C@H](C)OC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 2062859 DVLNAWXETKDMJN-HNNXBMFYSA-N 413.901 5.656 0 40 HKAB Cc1ccc(Cn2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1 2255820 STVPBVCGSJLJKT-UHFFFAOYSA-N 406.533 6.301 0 40 HKAB Cc1ccc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1C 2505609 ZSZDXHZGMRCNMY-XMMPIXPASA-N 415.489 5.358 0 40 HKAB COc1ccc(-c2cc(C(=O)N3CCc4ccccc43)c3ccccc3n2)cc1OC 2644768 FQIHLRVJQTUHFZ-UHFFFAOYSA-N 410.473 5.122 0 40 HKAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(SCC(C)C)o2)cc1 2721680 OCOMJBWKGNKIDR-UHFFFAOYSA-N 401.553 5.539 0 40 HKAB CCc1ccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc23)cc1 2768013 VEGUDECOMJMQAV-UHFFFAOYSA-N 400.909 6.678 0 40 HKAB O=C(Cc1ccc(Cl)cc1)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O 3052125 PPODKACXFYJTAN-UHFFFAOYSA-N 421.711 5.038 0 40 HKAB CC(C)(C)[C@@H](/C=C/c1ccc(Cl)cc1Cl)n1nnnc1C1(N)CCCCC1 3097886 CXTRZRNCZCZICX-SYJIQKIWSA-N 408.377 5.399 0 40 HKAB CC(=O)c1ccc(-n2c(SCc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 3242870 ZSFQCSZVVZEXPK-UHFFFAOYSA-N 420.921 5.534 0 40 HKAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1sc2ccccc2c1Cl 3315346 TVRSJOLFHNOGMW-UHFFFAOYSA-N 410.278 5.012 0 40 HKAB Cc1ccc(NC(=O)[C@H](N[C@@H]2CCCc3ccccc32)c2ccccc2)cc1Cl 3327122 DDMRUARTFYRGKW-DNQXCXABSA-N 404.941 5.995 0 40 HKAB O=C(Nc1nnc(-c2ccc(Br)cc2)s1)C12CC3CC(CC(C3)C1)C2 4070429 XXWBSDFQTJTSSU-UHFFFAOYSA-N 418.360 5.123 0 40 HKAB COc1ccc(C(=O)N2C(=S)C(c3ccccc3)=NC23CCCCCC3)cc1OC 4891998 RRHBXEDLDZFKLF-UHFFFAOYSA-N 422.550 5.027 0 40 HKAB C[C@H](NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1)c1cccc(Cl)c1 5170738 ROBLBVVAAYOKQY-NSHDSACASA-N 408.310 5.013 0 40 HKAB CCOc1ccc(-c2csc(NC(=O)CCSc3ccc(F)cc3)n2)cc1 5192657 CDVSOGSIZOXPPG-UHFFFAOYSA-N 402.516 5.469 0 40 HKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(F)cc1)c1ccc(Cl)cc1 5347321 HBJFRJFIURZSMF-UHFFFAOYSA-N 409.869 5.973 0 40 HKAB Cc1nc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c2c(C)c(C)sc2n1 5429110 NNMJQYYGAFHYJW-YPMHNXCESA-N 403.548 5.114 0 40 HKAB CCOc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)ccc1OCc1ccccc1 5464431 JTGJJKGVRKOTBE-STZFKDTASA-N 417.436 5.148 0 40 HKAB CCCCOc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3[C@H](C)CCC)cc1 6072727 KHWKEPOCVIFWRU-AUUYWEPGSA-N 403.548 5.141 0 40 HKAB O=C(CSc1nnc(-c2cccs2)o1)Nc1ccccc1Oc1ccccc1 6462893 CRAGPIFXDXZBHI-UHFFFAOYSA-N 409.492 5.321 0 40 HKAB CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)cc3)NC2=S)cc1 6538531 BGZDDMUYLPUNIY-JWGURIENSA-N 400.503 5.015 0 40 HKAB CCc1cccc2c(C(=O)CSc3nn(-c4ccccc4)c(=S)s3)c[nH]c12 6543336 RAYOOWDDOGQXRW-UHFFFAOYSA-N 411.577 5.682 0 40 HKAB CC[C@H](CCNC(=O)Nc1ccc(Cl)cc1)NC(=O)Nc1ccc(Cl)cc1 6555348 NPBCKYMQGUSKSZ-OAHLLOKOSA-N 409.317 5.105 0 40 HKAB Cc1ccc(-n2c(SC[C@@H]3COC4(CCCC4)O3)nnc2-c2ccccc2)cc1C 6590213 UUEUBMYQXGTELO-NRFANRHFSA-N 421.566 5.329 0 40 HKAB Cc1cc2sc(NC(=S)NC(=O)c3ccc4ccccc4c3)nc2cc1Cl 6826404 QCAHYRFAVVIOAR-UHFFFAOYSA-N 411.939 5.538 0 40 HKAB COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccccc1C)oc1ccccc12 6886861 VGVXZKLYAASDGX-HNNXBMFYSA-N 403.434 5.087 0 40 HKAB Cc1ccccc1OCc1n[nH]c(SCC(=O)c2ccc(-c3ccccc3)cc2)n1 7537449 NUBXJDVLEGIHID-UHFFFAOYSA-N 415.518 5.334 0 40 HKAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1nc2ccccc2s1 7688958 MBBFSMLPHQXRMC-UHFFFAOYSA-N 413.852 5.039 0 40 HKAB Cc1nc(-c2ccsc2)sc1C(=O)NCc1ccccc1CN1CCCCC1 7941518 PSOVMNJAQWRLLK-UHFFFAOYSA-N 411.596 5.096 0 40 HKAB Cc1c(CSc2nc(C3CC3)n(-c3ccccc3)n2)noc1-c1ccc(F)cc1 8311989 OHEFEXYSISFGGA-UHFFFAOYSA-N 406.486 5.540 0 40 HKAB COc1cccc(CN[C@H](C)c2ccccc2)c1OCc1ccc(Cl)cc1Cl 8535348 PGAUJSPEOGTDTI-MRXNPFEDSA-N 416.348 6.432 0 40 HKAB COc1cccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3)n2)c1 8854414 VVUFGKRFPJCWAI-UHFFFAOYSA-N 404.944 5.279 0 40 HKAB CCCc1ccc(OCc2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1 8914932 RLFNWZUFEXNNIF-UHFFFAOYSA-N 402.907 5.367 0 40 HKAB Cc1ccc(NC(=O)N[C@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 9607534 FWANWRZHIQUBMK-HXUWFJFHSA-N 418.884 5.610 0 40 HKAB CCOc1ccccc1CCCNC(=O)CSCc1c(Cl)cccc1Cl 10110881 YWRQOAMNEBLKJY-UHFFFAOYSA-N 412.382 5.374 0 40 HKAB CCn1ncc2c(C(=O)Nc3cc(Cl)ccc3OC)cc(-c3cccs3)nc21 11326756 INSSMIKNNQWBLF-UHFFFAOYSA-N 412.902 5.094 0 40 HKAB COc1cccc(-c2nc(-c3ccc(CNC(=O)C(C)(C)C)s3)cs2)c1OC 12622370 RDFKNUPZVZDNOY-UHFFFAOYSA-N 416.568 5.218 0 40 HKAB COc1cc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)cc(OC)c1OC 12822282 FABXCOQCIWIOFU-UHFFFAOYSA-N 412.511 5.212 0 40 HKAB COc1ccc2cc(CN(C)C(=O)c3csc(-c4ccc(F)cc4)n3)ccc2c1 12926489 WYDYDRODLLQQFE-UHFFFAOYSA-N 406.482 5.383 0 40 HKAB CCc1ccccc1NC(=O)CN(C)C(=O)/C(=C/c1ccc(F)cc1)c1cccs1 12971542 YUHSTJMXZGSTHF-HMMYKYKNSA-N 422.525 5.087 0 40 HKAB CCOC(=O)/C=C/c1ccc(NC(=O)c2cccc(OCc3ccc(F)cc3)c2)cc1 13001448 YKLUNGOEQLXELD-XNTDXEJSSA-N 419.452 5.233 0 40 HKAB CCCOc1ccccc1C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 13631159 JTGXTPZIKSTRKD-UHFFFAOYSA-N 402.494 5.299 0 40 HKAB Cc1ccc(OCCCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 14399944 CLKNSPLQIASLET-UHFFFAOYSA-N 412.382 5.510 0 40 HKAB Cc1cc(OC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(C(C)C)cc1Cl 14785432 MZSFCEFEHBXALV-UHFFFAOYSA-N 417.908 5.369 0 40 HKAB Cc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccc(Cl)cc4)cc3c2C)cc1 15729479 YRQSLGZFTBXMJI-UHFFFAOYSA-N 403.865 6.186 0 40 HKAB biogenic CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2)o1 15973605 LPUMHZIYGZOLBS-OAHLLOKOSA-N 411.955 5.627 0 40 HKAB CC[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1)C(=O)OC 16757674 ZYFBSKQHWKUEPK-HXUWFJFHSA-N 417.534 5.440 0 40 HKAB CCc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4CC)nccn3n2)cc1 16841682 DQXJKGQGSYDYRC-UHFFFAOYSA-N 416.550 5.252 0 40 HKAB COc1ccc(Cl)cc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl 17093432 YIUARLMKXFZNRH-UHFFFAOYSA-N 423.123 5.943 0 40 HKAB Cc1ccc2nc(Nc3nc(CSc4ccc(Cl)cc4)cc(=O)[nH]3)nc(C)c2c1 17194985 LEMZNLUAYNDWPA-UHFFFAOYSA-N 423.929 5.019 0 40 HKAB CCCCOc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)c1 20672442 BUCJWMXWTVFBTH-HSZRJFAPSA-N 419.525 5.456 0 40 HKAB Cc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c(C)c1 21578850 DIAGPAQNTKMXDF-UHFFFAOYSA-N 414.505 6.054 0 40 HKAB Cc1cc(C)c2nc(-n3nc(C)cc3NC(=O)c3ccc4c(c3)CCCC4)sc2c1 21686524 UMBRMZWJQQRZDT-UHFFFAOYSA-N 416.550 5.538 0 40 HKAB Cc1cccc(-c2nnc([C@@H](C)N3CCN(Cc4cccc5ccccc45)CC3)o2)c1 22790325 DLGRKDQVEKBPOW-HXUWFJFHSA-N 412.537 5.077 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 25933128 FSEDLILEFMFXMY-JOCHJYFZSA-N 413.477 5.122 0 40 HKAB Cc1cccc(OCC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 27744434 WKKXDYSFSZNKAY-NRFANRHFSA-N 418.924 5.457 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 28210500 VWYZFGNPMVJGLG-UHFFFAOYSA-N 403.787 5.842 0 40 HKAB Nc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccc2n1C(=O)c1ccc(Cl)cc1 28535023 PBDYAZNPVVEXMN-UHFFFAOYSA-N 424.287 5.471 0 40 HKAB O=C(Oc1ccccc1Cl)c1nc(SCc2ccccc2F)ncc1Cl 32624088 KPFNVGJTLPAYSI-UHFFFAOYSA-N 409.269 5.434 0 40 HKAB O=C(c1ccc(SCc2csc(-c3ccc(Cl)cc3)n2)nc1)N1CCCC1 32907197 HOZFCAYFTOCYEI-UHFFFAOYSA-N 415.971 5.387 0 40 HKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1C 33684147 CJKSHBRFUKWLNT-UHFFFAOYSA-N 412.892 5.726 0 40 HKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)cc1 34853160 HHEDIVNBGNEIHF-UHFFFAOYSA-N 412.127 5.739 0 40 HKAB COc1cc(-c2nc3cccc(C)n3c2Nc2ccc(Br)cc2)ccc1O 35615956 KGPGOPJLIKWEIK-UHFFFAOYSA-N 424.298 5.530 0 40 HKAB O=C(Nc1ccc(NC(=O)c2cc(F)ccc2-c2ccccc2)cc1)c1ccco1 44409032 QUZJYXDIWVOFHO-UHFFFAOYSA-N 400.409 5.590 0 40 HKAB Cc1nc2cc(NC(=O)Cc3csc(Nc4ccc(Cl)cn4)n3)ccc2s1 49460587 UULMRDCZIMSGBD-UHFFFAOYSA-N 415.931 5.034 0 40 HKAB CN(C)c1ccc(/C=C2/C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc1 59489171 KHWMMNOVUASODC-MWZMXYARSA-N 419.609 5.639 0 40 HKAB CC(C)N(CC(F)(F)F)C(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 84597250 ZVASWSUVJAOQBE-UHFFFAOYSA-N 413.871 5.208 0 40 HKAB Clc1cccc(-c2noc(CCN3CCCC[C@@H]3c3nc4ccccc4o3)n2)c1 84600288 JEJPMZBYSWWVOI-GOSISDBHSA-N 408.889 5.301 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cccc(-c2cc(C(F)(F)F)cc(Cl)n2)c1 91695591 PCKBMGADWGLCEH-UHFFFAOYSA-N 411.210 6.327 0 40 HKAB O=C(NCc1cccs1)c1ccc2onc(-c3coc(-c4ccccc4)n3)c2c1 96147751 ANJCQHWJPNADDL-UHFFFAOYSA-N 401.447 5.141 0 40 HKAB CC1CCN(Cc2cccc(NC(=O)c3ccc(N4CCC(C)CC4)cc3)c2)CC1 141539716 SSHNGPVQNZCNJT-UHFFFAOYSA-N 405.586 5.407 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)c1cnc(-c2ccc(F)cc2)nc1 222617537 MCXIWLGFSGNWJO-UHFFFAOYSA-N 401.466 5.686 0 40 HKAB CC(C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl 222718718 OLIOGHMBLBCYBK-UHFFFAOYSA-N 411.354 5.004 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 222752747 BMBLWCRPWSYXJT-HXUWFJFHSA-N 403.507 5.463 0 40 HKAB O=C(Nc1cccc2ccccc12)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 223964964 HZITVZOATPHIIE-UHFFFAOYSA-N 420.465 5.032 0 40 HKAB Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 224180492 VHXKNTVKPTXGDP-XZOQPEGZSA-N 415.493 5.658 0 40 HKAB COc1ccc(C(=O)N2CCCCC2)cc1COc1ccc(-c2ccccc2)cc1 224220481 JLLFPINIYGNUTK-UHFFFAOYSA-N 401.506 5.567 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1cccc(C)c1 224385516 MHDGMSPLLRBCQI-UHFFFAOYSA-N 405.494 5.624 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccc(Cl)cc1 224497095 MQCOZSGWBYFCAP-KRWDZBQOSA-N 409.913 5.809 0 40 HKAB Fc1ccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)c(F)c1 225345317 URUNJJNEWMNKPX-UHFFFAOYSA-N 407.338 5.491 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253609248 JQMQKOQOLPGBBE-YYRSZPJVSA-N 402.663 6.648 0 40 HKAB C[C@]1(NC(=O)c2ccccc2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(F)c2)C1 257217249 CYFAYFASRWKKRB-ARNLJNQMSA-N 423.915 6.261 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2cccc(Cl)c2)c1 408695858 UBYWYUJPNJUQPZ-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(F)cc2)c1C 408697961 KJBAMKWFHQFHIW-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB COc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 409099405 SBMBENGHQKDNPO-UHFFFAOYSA-N 407.926 5.889 0 40 HKAB COc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1ccccc1Cl 409122151 ZWMSTUGSNCVGOM-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB Brc1ccc(NCc2cccc(OCc3cccc4ccccc34)c2)cc1 409206392 NTCLJNHDNNEPMQ-UHFFFAOYSA-N 418.334 6.793 0 40 HKAB COc1ccc(-n2cccc2/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409214062 XKUFVBVQZWJDTE-CPNJWEJPSA-N 410.882 5.380 0 40 HKAB Cc1ccc(-c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)O)cc3)n2)cc1 409386984 XYQIJEIAFCUIAW-UHFFFAOYSA-N 404.413 5.461 0 40 HKAB C/C(=C\COc1c2ccoc2cc2oc(=O)ccc12)CC[C@@H]1OC(C)(C)OC1(C)C 616581882 DLFOGGFNAICJAO-XIJQHFHMSA-N 412.482 5.575 0 40 HKAB biogenic O=C(O)c1cc(-c2ccc(OCc3ccccc3)cc2OCc2ccccc2)on1 1857794017 VMKZXBGYSMHRET-UHFFFAOYSA-N 401.418 5.198 0 40 HKAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2C[C@@H]1Oc1ccccc1F 2332242570 YDEOXQPDRRPDBW-RDMBEQIISA-N 423.507 5.000 0 40 HKAB CCc1ccc2oc(-c3ccccc3)c/c(=N\CCc3ccc(OC)c(OC)c3)c2c1 1791701 LWZSCAICTNCCEE-WEMUOSSPSA-N 413.517 5.823 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1I 2069624 CZEAYIRKSQFCDE-UHFFFAOYSA-N 407.295 5.790 0 40 HKAB CCCCCOC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 2400379 SUORRSNPAVBQTB-UHFFFAOYSA-N 402.498 5.120 0 40 HKAB O=C(O)c1c(Oc2ccccc2Cl)c(-c2ccc(Cl)cc2)nc2ccccc12 2576536 FKKYPEHVWQQVKE-UHFFFAOYSA-N 410.256 6.699 0 40 HKAB CC[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3)c2C(=O)OC)C1 2752555 OOFDYUWIWJKAAQ-SVTZGKHISA-N 403.931 5.355 0 40 HKAB Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc2cccnc2s1 2961591 RKYPYNGMTMVSPR-UHFFFAOYSA-N 401.535 6.217 0 40 HKAB C[C@@H](Sc1cc(C(=O)Nc2ccccc2C(F)(F)F)c2ccccc2n1)C(=O)O 3241836 KUCKIBQFKREIHH-LLVKDONJSA-N 420.412 5.071 0 40 HKAB CC(=O)c1ccc(NC(=O)COC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 3318076 SYPGTHJCPBTDJW-UHFFFAOYSA-N 422.289 5.206 0 40 HKAB COc1ccc(Cl)cc1NC(=O)CCN1c2ccccc2Sc2ccccc21 3452674 GLMRDKWFJZAZHE-UHFFFAOYSA-N 410.926 5.980 0 40 HKAB CC(C)(C)SCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4024370 QAUWKRBHRKSCQO-YDEHCHDGSA-N 418.643 5.350 0 40 HKAB biogenic C[C@@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4267189 PYINUSGDKUECNZ-MRXNPFEDSA-N 400.434 5.091 0 40 HKAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 4556338 XIFIOOIBWOOAAM-LJQANCHMSA-N 413.930 5.468 0 40 HKAB Cc1ccc(-c2csc(-c3cc4ccccc4o/c3=N\c3nccs3)n2)cc1 4617003 ZGXODOXFTLSLJL-QQTULTPQSA-N 401.516 6.221 0 40 HKAB COCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(=O)Nc1ccccc1F 4880842 KARFKLRUSFEMFP-UHFFFAOYSA-N 415.896 5.325 0 40 HKAB Cc1ccc(C)c2sc(N3CCN(C(=O)c4cccc5ccccc45)CC3)nc12 5182494 KWFYLNDDRLZHPI-UHFFFAOYSA-N 401.535 5.029 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1 5201048 NJXURGZQFBLUKD-UHFFFAOYSA-N 418.468 5.949 0 40 HKAB C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)N1CCc2ccccc21 5242883 HKUJYLXEQMPREU-QGZVFWFLSA-N 411.530 5.367 0 40 HKAB COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(F)cc2)cc1 5348654 CNQIVHSFIYBJMW-UHFFFAOYSA-N 405.450 5.329 0 40 HKAB O=C(CSc1nc(-c2ccc(F)cc2)cs1)NCC12CC3CC(CC(C3)C1)C2 6087315 PFPGPVYXXYWVHG-UHFFFAOYSA-N 416.587 5.374 0 40 HKAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1cc2ccccc2o1 6356569 QIRILRZVZOMNHZ-UHFFFAOYSA-N 406.511 5.059 0 40 HKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c1 6553313 DHLDFSBYHLSJAD-UHFFFAOYSA-N 415.902 5.093 0 40 HKAB CCCCCC(=O)N(Cc1ccc(Cl)cc1Cl)c1ccc(C(=O)OCC)cc1 6594967 PCXBTIDMHCSXFU-UHFFFAOYSA-N 422.352 6.284 0 40 HKAB Clc1ccc2ccccc2c1OCCCCCN1CCCC[C@@H]1c1cccnc1 6673229 CRYJQBVZDPENQK-XMMPIXPASA-N 408.973 6.665 0 40 HKAB biogenic Cc1cccc(Nc2nnc(SCC(=O)N(CC(C)C)CC(C)C)s2)c1C 6784823 VRKXDPGUZPRRHD-UHFFFAOYSA-N 406.621 5.131 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)cc1 7072957 BISUGIKJYFOQCU-MRXNPFEDSA-N 422.481 5.072 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 8071673 KEFRWKVINZKWMP-UHFFFAOYSA-N 400.272 5.038 0 40 HKAB CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccc(Cl)cc21 8241819 CGHQAUIDGCNQMP-MZNJEOGPSA-N 418.924 5.873 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](Sc1ncnc2sccc12)c1ccccc1 8860789 AEKFHGNETFPIKY-LJQANCHMSA-N 421.547 5.562 0 40 HKAB CC1CCN([C@@H](CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c2cccs2)CC1 9501737 HJBZOFXDMRKDTR-PXNSSMCTSA-N 403.567 5.063 0 40 HKAB Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(Cc4cccs4)n3C3CC3)o2)cc1 9815654 BNUMZYJNMBTXLN-CQSZACIVSA-N 423.567 5.477 0 40 HKAB COc1ccc(Nc2ccccc2NC(=O)Cc2coc3cc(OC)ccc23)cc1 12552672 BFPMPBOQXOYAGW-UHFFFAOYSA-N 402.450 5.375 0 40 HKAB Cc1ccc(-c2csc(=S)n2CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 12566677 NINUPLYIYAIYHI-UHFFFAOYSA-N 422.531 5.308 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)ccc1Cl 12629356 JFRMDORMCNJRQR-UHFFFAOYSA-N 419.264 5.165 0 40 HKAB O=C(CSc1nc(-c2cccc(F)c2)[nH]c1-c1ccccc1)Nc1nccs1 13365808 DLUNFCGEYPSMNO-UHFFFAOYSA-N 410.499 5.070 0 40 HKAB O=C(Oc1ccc(Br)cc1C(=S)N1CCCC1)c1cccc(Cl)c1 13894877 HAQGIDDVDIWGMA-UHFFFAOYSA-N 424.747 5.093 0 40 HKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OC(=O)c4cccs4)c2)N3)C1 15947649 VBNCUZIHZUJHJH-BUXKBTBVSA-N 424.547 5.583 0 40 HKAB Cc1ccc(C(=O)C[C@@H](c2ccccc2)N2CCN(c3ccc(F)cc3)CC2)cc1 16291810 SOAAJHLWIRIHKD-VWLOTQADSA-N 402.513 5.270 0 40 HKAB CCNCc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 16681756 WIBNWEMPQJNCRX-UHFFFAOYSA-N 419.146 5.453 0 40 HKAB C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(Cl)cc1 16912629 BVCPWLDVVNGLEY-QGZVFWFLSA-N 420.940 5.223 0 40 HKAB Cc1[nH]c2ccccc2c1[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 19879423 UXBFWPHVZCTVEJ-DEOSSOPVSA-N 405.542 5.589 0 40 HKAB CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCCc1cccs1)n2C 19894358 ALGTWMULYKGEGO-UHFFFAOYSA-N 422.981 6.095 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Cl)c(C(=O)O)c3)o2)cc1Cl 20145465 MFYKBUMWVQESOM-RMKNXTFCSA-N 416.260 5.912 0 40 HKAB Cc1ccc(-c2nn(-c3cccc(F)c3)c3c2cnc2cc(C(F)(F)F)ccc23)cc1 20183490 GQYJJPPVEFBHRS-UHFFFAOYSA-N 421.397 6.707 0 40 HKAB COc1ccc(Nc2nn(CN3CCC[C@H]3c3cccs3)c(=S)s2)cc1 24083221 BISZXNGEDYAHSP-HNNXBMFYSA-N 404.586 5.282 0 40 HKAB CC(C)OC(=O)c1ccc(COC(=O)C2c3ccccc3Oc3ccccc32)cc1 24522312 PLPZMXQAKGKEQP-UHFFFAOYSA-N 402.446 5.233 0 40 HKAB O=C(CCCc1nc2ccccc2s1)Nc1nc(CN2CCCCCC2)cs1 29636386 NYMJTZOLXDGHPT-UHFFFAOYSA-N 414.600 5.090 0 40 HKAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1C 30862003 NMNNPMYJMXEEMR-PMACEKPBSA-N 416.521 5.200 0 40 HKAB O=C(Nc1ccccc1Br)c1ccc(CN2CCCc3ccccc32)cc1 30872857 HPEHFJLGZDCZGL-UHFFFAOYSA-N 421.338 5.654 0 40 HKAB CC(C)c1ccc(-c2nc(CSCC(=O)NCc3cccs3)cs2)cc1 31414348 LXBRWJXIFUBAMI-UHFFFAOYSA-N 402.610 5.545 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2cccc(C)c2C)cc1OCC 33795278 ZFDORQLNCVCLLD-UHFFFAOYSA-N 406.320 5.506 0 40 HKAB COc1cc(-c2nc3ccc(Cl)cn3c2Nc2cccc(Cl)c2)ccc1O 35616115 OGCSTZUZEMDOBQ-UHFFFAOYSA-N 400.265 5.766 0 40 HKAB O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1cccc(Cl)c1 46022366 DPUQNOMZSPCNJT-UHFFFAOYSA-N 417.987 5.635 0 40 HKAB CCCn1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(=O)c2ccc(C)nc21 49002265 BEVUETJUASGTPJ-UHFFFAOYSA-N 413.477 5.160 0 40 HKAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 61972688 PZQUNSMLQXFLQX-UHFFFAOYSA-N 424.953 5.618 0 40 HKAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccc(C)cc3Cl)n2)cc1 67257590 CBZMWLMBONAPLW-UHFFFAOYSA-N 413.930 5.153 0 40 HKAB C[C@@H]1C[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 71787241 LRIHIWBTHWOYBB-IRVFTMDJSA-N 402.581 8.161 0 40 HKAB Cc1nn(C)c(C)c1C[C@@H](C)C(=O)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 72310797 MLLDFJKOMKIRPC-HWPZZCPQSA-N 422.369 5.081 0 40 HKAB CC(C)Cc1ccc([C@H](C)c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193856 VIMCYXUTLHAYLQ-HNNXBMFYSA-N 402.523 5.949 0 40 HKAB COc1cc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc(OC)c1OC 100424234 NKDSKRDPELATML-JOCHJYFZSA-N 408.498 5.584 0 40 HKAB O=C1[C@H](c2ccccc2)C(=S)N2[C@H]1Cc1c([nH]c3ccccc13)[C@@H]2c1ccccc1 103357887 IVDBOCQRNBHGAG-FIXSFTCYSA-N 408.526 5.178 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1Cl 222845280 BGDHYHSNVCOBNS-HNNXBMFYSA-N 416.304 6.500 0 40 HKAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 224177271 IQYHOJXKVXPMJV-RUZDIDTESA-N 416.565 5.024 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)c1 224310133 AKUPDAVQPOFPSI-RPBOFIJWSA-N 424.573 5.666 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(COCc3ccccc3)c2)cc1 224752347 KUIOECWIJKTFRY-UHFFFAOYSA-N 417.549 6.397 0 40 HKAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1SCc1ccccc1 225439160 DFDGIALUQWVTAW-UHFFFAOYSA-N 403.532 5.750 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c2ccccc12 225763336 QENQHJSPZAZJEN-UHFFFAOYSA-N 405.513 6.607 0 40 HKAB Cc1ccc(CC(=O)N2CCC[C@H](c3ccc(Cc4cccc(F)c4)cn3)C2)cc1C 257338832 YZCRLJFZQNGFIQ-DEOSSOPVSA-N 416.540 5.377 0 40 HKAB COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc2)cc1 408628111 UIAMVLBNFCNRCO-UHFFFAOYSA-N 422.333 5.398 0 40 HKAB CCOc1ccc(-n2c(Sc3ccccn3)nnc2-c2ccc(Cl)cc2)cc1 409108280 ZHPVGUWTWSMKBW-UHFFFAOYSA-N 408.914 5.533 0 40 HKAB CCOc1cc(CNc2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 409109896 NNHVNDMEVHXLEL-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB Cc1ccc(Cl)cc1NCc1cc(Cl)ccc1OCc1ccccc1Cl 409120798 UIEGMDMITIMCNR-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB CC(C)(C)c1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 409183534 VFPXTTIQLRPZHP-HSZRJFAPSA-N 406.909 6.419 0 40 HKAB Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccs1 409197841 PZNZPAUKNKCAJJ-LNVKXUELSA-N 410.951 5.877 0 40 HKAB O=C(CSCc1ccc(Br)cc1)Nc1cccc(Cl)c1Cl 409411349 GRKSKKHJPGWLKW-UHFFFAOYSA-N 405.144 5.628 0 40 HKAB CCc1ccc(CNc2ccc(NC(=O)[C@@H](C)n3nc(C)cc3C)c(Cl)c2)cc1 532888840 FUSHDHBGWFFCMG-QGZVFWFLSA-N 410.949 5.528 0 40 HKAB O=C(N[C@@H](c1cccs1)C1CCOCC1)c1cccc(OCc2ccccc2)c1 585149429 ROAGTBSZMBRDKG-HSZRJFAPSA-N 407.535 5.225 0 40 HKAB Cc1c(NC(=O)c2ccc3c(c2)OCCO3)cccc1-c1nc2ccccc2s1 911501 XDAHIAWBANNWFA-UHFFFAOYSA-N 402.475 5.295 0 40 HKAB CCOc1ccc(Br)cc1/C=C/C(=O)Nc1nc2ccc(C)cc2s1 941497 DXECEQOFDSQKEG-WEVVVXLNSA-N 417.328 5.418 0 40 HKAB CCc1ccc(Oc2coc3cc(OC(=O)c4ccccc4C)ccc3c2=O)cc1 950711 IDRLTOVQEJLAFF-UHFFFAOYSA-N 400.430 5.675 0 40 HKAB CCOC(=O)CCc1c(C)c2ccc(OCc3cc(C)ccc3C)c(C)c2oc1=O 2093750 FFFCPZUZDVTZDI-UHFFFAOYSA-N 408.494 5.101 0 40 HKAB biogenic Cn1c(NC(=O)c2ccc(F)cc2)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 2204651 XHIZCYLTXGAJCB-UHFFFAOYSA-N 406.844 5.250 0 40 HKAB CCCCCNc1ncnc2c1sc1nc(CCCC)c3c(c12)CC(C)(C)OC3 2270862 JHCIZTFAVNJRLP-UHFFFAOYSA-N 412.603 6.036 0 40 HKAB COc1ccc(-n2c(S[C@@H]3CCCCC3=O)nnc2-c2ccc(Cl)cc2)cc1 2634230 PCMWNSUHKIJJGG-LJQANCHMSA-N 413.930 5.200 0 40 HKAB O=C(COc1ccc2ccccc2c1Br)Nc1ccccc1OC(F)F 2643076 LYXGGEKIANMFHV-UHFFFAOYSA-N 422.225 5.221 0 40 HKAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)Nc2nnc(C)s2)cc1 2658459 FLWLRUXSEQMSCP-UHFFFAOYSA-N 406.536 5.127 0 40 HKAB Cc1cccc(C)c1Nc1nnc(SCC(=O)N(c2ccccc2)C(C)C)s1 3228776 KSHARLGTXMXGEC-UHFFFAOYSA-N 412.584 5.432 0 40 HKAB O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)NC1CCCCCCC1 3235546 KEABHLDEUGBDRP-UHFFFAOYSA-N 414.354 5.594 0 40 HKAB CC(=O)c1ccccc1NC(=O)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C 3325765 LYUPTUFCKPOTRL-SFHVURJKSA-N 412.839 5.637 0 40 HKAB CCCCCCSc1nnc2c(n1)O[C@@H](c1sccc1C)Nc1ccccc1-2 3772534 RQNSFAJTXJYFHM-FQEVSTJZSA-N 412.584 6.084 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 4073888 HONOKMUVEQPOAM-UEMLJIRCSA-N 412.614 6.256 0 40 HKAB biogenic Cc1cccc(Cc2cnc(NC(=O)COc3cccc(C(F)(F)F)c3)s2)c1 4823282 BMPGBJBTTKNNCP-UHFFFAOYSA-N 406.429 5.079 0 40 HKAB Cc1cc(C)cc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2ccco2)c1 4920552 JRGVIQRJLJMLBB-UHFFFAOYSA-N 417.578 6.128 0 40 HKAB CC(C)(C)c1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(C(C)(C)C)c1O 5379852 KNYNSMHTBGSDIE-UHFFFAOYSA-N 424.588 7.711 0 40 HKAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)c1ccc2c(c1)CCC2 5396831 ZATSZSFIOIKVKU-CQSZACIVSA-N 409.580 5.118 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1c(F)c(F)c(F)c(F)c1F 5676202 YOVDMYRLKLEKBK-UHFFFAOYSA-N 404.747 5.411 0 40 HKAB Cc1ccc2c(c1)[nH]c(=S)n2/C=C(\c1ccccc1)[S@@](=O)Cc1ccccc1 5734191 UHVIYNSKKNNIDC-COHPBREESA-N 404.560 5.912 0 40 HKAB S=C(Nc1ccc(Cl)cc1Cl)Nc1ccccc1Sc1ccccc1 6276945 YJBUGBBLVXFDRA-UHFFFAOYSA-N 405.375 6.954 0 40 HKAB CC[C@@H](C)c1ccc(OC(=O)/C=C/c2cc3c(cc2Br)OCO3)cc1 6830056 TUHIXLJLYLNLHK-YSKGHYERSA-N 403.272 5.310 0 40 HKAB Cc1ccc(-n2c(SCC(=O)N3CCCC[C@H]3C)nnc2-c2cccc(C)c2)cc1 7158112 QAMITRVVFSAHRG-LJQANCHMSA-N 420.582 5.044 0 40 HKAB COc1cc(C(C)=O)ccc1O[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 7200807 KRBVFCLSUSHNCP-KRWDZBQOSA-N 405.450 5.096 0 40 HKAB CCCCCCNCc1cc(Br)c(OCc2ccccc2F)c(OC)c1 7260964 FVOKBEVAKJVTHM-UHFFFAOYSA-N 424.354 5.846 0 40 HKAB Cc1cc(Cl)cc2sc(N(CCCn3ccnc3)C(=O)c3cccs3)nc12 7424817 HJVPFMQPJWWAEP-UHFFFAOYSA-N 416.959 5.253 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 8168690 FYJLHWGBJVSUOR-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB Oc1cc(OCc2ccccc2Cl)ccc1-c1n[nH]cc1-c1ccc(Cl)cc1 8913909 SQSCKSLXGFZBPQ-UHFFFAOYSA-N 411.288 6.335 0 40 HKAB O=c1c2cc(Cl)c(Cl)cc2c(-c2ccc(Cl)cc2)nn1-c1ccc(F)cc1 8925769 AUGRROKYDPKMRV-UHFFFAOYSA-N 419.670 6.152 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1nc(SCc2ccc(F)cc2)ncc1Cl 9305472 OZOXYXWYWPXAGB-UHFFFAOYSA-N 408.285 5.467 0 40 HKAB O=S(=O)(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1ccccc1F 9377739 CZMPYWQDZHQIFT-UHFFFAOYSA-N 417.412 5.038 0 40 HKAB Cc1ccc(C)c(CSc2nnc(NC(=O)c3cc(Cl)ccc3Cl)s2)c1 9600125 BNIVXHWHCGOXRE-UHFFFAOYSA-N 424.378 6.006 0 40 HKAB CCOc1cccc2cc(-c3csc(NC(=O)CSc4ccccc4)n3)oc12 10750446 HUIUHEZJIRGXAH-UHFFFAOYSA-N 410.520 5.686 0 40 HKAB COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3Cl)C[C@H]21 12660953 AJCTUOVVUOISQR-XXBNENTESA-N 412.917 5.177 0 40 HKAB biogenic CCOc1ccccc1N(C(=O)[C@@H]1Cc2ccccc2O1)c1nc2ccccc2s1 12766706 WECZDRYXAVOVSM-NRFANRHFSA-N 416.502 5.363 0 40 HKAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc(F)cc1Cl 12781700 SVEUHIQMFMZIFE-NRFANRHFSA-N 400.906 5.127 0 40 HKAB Cc1ccc([C@H](NC(=O)COc2ccc(C3SCCCS3)cc2)C2CC2)cc1 12887497 HXRPJTBCFFOOID-QFIPXVFZSA-N 413.608 5.510 0 40 HKAB CCc1noc(C)c1C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 12980027 OSLMQDJBSWFNHM-UHFFFAOYSA-N 401.260 5.353 0 40 HKAB CCCCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1 13635062 MEUQLVRONBFNOC-QHCPKHFHSA-N 419.525 5.456 0 40 HKAB Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Cl)c1 13646239 JIFUJLRZMWRWLP-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Br)c(Cl)c1 13717027 UOASCXQQKFNHNT-UHFFFAOYSA-N 414.730 6.263 0 40 HKAB COc1ccc(OC)c([C@H]2Oc3ccccc3[C@H]3CC(c4cccc(Cl)c4)=NN32)c1 13768618 OFCVVNIDTSWHAV-ZJSXRUAMSA-N 420.896 5.600 0 40 HKAB CCCOc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1Cl 14651602 CEINOGCCRRXJCL-UHFFFAOYSA-N 403.103 5.797 0 40 HKAB COc1cc(C)c(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1C(C)C 15010404 UZUZOHYUNAYZFH-MTJSOVHGSA-N 409.507 5.046 0 40 HKAB Clc1ccc(COc2ccc3ccccc3c2CNC[C@@H]2CCCO2)c(Cl)c1 16525880 KRZMXSVGBCMNIY-IBGZPJMESA-N 416.348 5.994 0 40 HKAB c1ccc2c(-c3nnc([C@@H]4CCCN4Cc4ccnc5ccccc45)o3)nccc2c1 19376491 DCQPLEQMEXRANA-QFIPXVFZSA-N 407.477 5.170 0 40 HKAB Cc1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(-c2cc(C)n[nH]2)c1 19718273 YBKWHOPSUZZCPS-UHFFFAOYSA-N 406.873 5.563 0 40 HKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)COc4ccccc4Cl)c3)oc2cc1C 21578876 SXSKRMXAXNFXPV-UHFFFAOYSA-N 420.896 6.091 0 40 HKAB CCc1sc(-c2nnc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)o2)cc1C 23989994 IAKIGQSZCOIEMI-OAHLLOKOSA-N 424.595 5.658 0 40 HKAB CC(C)Cc1nc(CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)no1 28006961 SWSVYYVFJBTTJG-UHFFFAOYSA-N 423.517 5.006 0 40 HKAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)CCc1ccccc1 32610402 UEKRFHCSDDSXJO-UHFFFAOYSA-N 417.431 5.127 0 40 HKAB CC(C)(C)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 34798690 YXRVMSCJPBQWRD-SQFISAMPSA-N 405.519 5.555 0 40 HKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cc(Br)ccc1OC 34965520 VRCXBHFCWXOHGH-LBPRGKRZSA-N 421.360 5.098 0 40 HKAB OC1=NC(=S)S/C1=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 35213827 CTTUKDUHLBTIQV-AUWJEWJLSA-N 414.310 6.041 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3cccnc3)C(=O)c3ccco3)cc2c1 35290194 IJBITXCBLYWVRL-UHFFFAOYSA-N 405.885 5.336 0 40 HKAB CC[C@H]1CCc2c(c(-c3cccc(F)c3)nc3c(-c4ccc(Cl)cc4)cnn23)C1 35325611 HHIJLQADIRCSDD-HNNXBMFYSA-N 405.904 6.371 0 40 HKAB COc1ccc(C(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c2ccc(OC)cc2)cc1 48331748 RZECPXWSLABXJI-ZWKOTPCHSA-N 421.459 5.278 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)OCc1nc(-c2ccc(OC(F)(F)F)cc2)no1 51315351 YISNVBGBFIBNHT-XCVCLJGOSA-N 424.762 5.045 0 40 HKAB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc2nsnc2c1 57312948 PLPWSUCJPLIHQB-UHFFFAOYSA-N 420.881 5.714 0 40 HKAB O=C(Nc1ncc(Cc2cccc(F)c2)s1)c1c[nH]cc1-c1ccc(Cl)s1 65514566 CIPHJQFIJOFPIC-UHFFFAOYSA-N 417.918 5.835 0 40 HKAB Cc1ccc(C(=O)[C@@H](Sc2nnc(N3CCCC3)s2)c2ccc(C)cc2)cc1 65566459 KYZXCHSFENYTTO-FQEVSTJZSA-N 409.580 5.471 0 40 HKAB CCc1cc2c(N3CCC4(CC3)C[C@@H]4c3nnc(-c4ccccc4)o3)ncnc2s1 71889480 KARFXNOUERHYCV-GOSISDBHSA-N 417.538 5.078 0 40 HKAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCCN1Cc1ccccc1Cl 72351365 YUBFFCOCBQNBNG-QFIPXVFZSA-N 422.960 5.063 0 40 HKAB COc1cccc(C(=O)N2CCC[C@@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)c1 72353806 RWJXTCJSTBZQMW-JOCHJYFZSA-N 418.512 5.148 0 40 HKAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3nc(-c4ccc(C(C)C)cc4)cs3)C(=O)[C@@H]21 102247429 MOPVZCFMGRPAIT-DGQTTZFYSA-N 406.551 5.415 0 40 HKAB Fc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 105833366 VVYYZXQNNUZIFX-XCZPVHLTSA-N 420.487 6.735 0 40 HKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 216260268 DYVRLOTYGCATKG-MFWYUJQYSA-N 417.593 6.567 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 216312167 IURBVJCSRRZONB-GOSISDBHSA-N 407.819 6.308 0 40 HKAB COc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 216430522 ROULXYYMNXIESW-INIZCTEOSA-N 411.954 6.132 0 40 HKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 216451635 LONKNIHBHGSXKK-HSZRJFAPSA-N 416.521 5.030 0 40 HKAB Cc1ccc(C)c([C@H](C)NC(=O)COc2ccc3ccccc3c2Br)c1 218904184 BGWJUHKRHQINRC-INIZCTEOSA-N 412.327 5.475 0 40 HKAB CC[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(C)cc1C 218947259 ZAJGHAXBYAWXEE-KRWDZBQOSA-N 410.739 5.366 0 40 HKAB C[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 222993929 FBSFMCAMAFFABY-CQSZACIVSA-N 408.394 5.983 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1Cl 223199826 UJORYMAEOKYXQV-UHFFFAOYSA-N 400.906 5.007 0 40 HKAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)cc1 224002603 QWYOUOARFRXMKL-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc(OCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1Cl 224121496 AANHSZDABXYNOT-UHFFFAOYSA-N 418.773 5.384 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccccc1Cl 224483938 ITFYRKYJELKGKS-UHFFFAOYSA-N 415.961 6.160 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCSCc1cccc(Cl)c1 225323488 VPGAPNYIPHSHSL-UHFFFAOYSA-N 402.774 5.629 0 40 HKAB NC(=O)c1ccc(-c2ccc([C@@H]3CCCCN3Cc3ccc4ncccc4c3)cn2)cc1 257338542 YXWWZEZXPPRGCL-SANMLTNESA-N 422.532 5.123 0 40 HKAB Fc1ccc(COc2cccc(C(=S)N3CCN(c4ccccc4F)CC3)c2)cc1 408574362 LZMYSUGIBNXNMN-UHFFFAOYSA-N 424.516 5.042 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408649083 ZJIMLWBOJZWARG-SNVBAGLBSA-N 417.214 5.004 0 40 HKAB COc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2cccc(C)c2)n1 408696798 BYSYDEDEZBIEQL-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB O=C1S/C(=C\c2cccn2-c2ccc(O)cc2)C(=O)N1Cc1ccccc1Cl 409021973 GSBJEYXQTGEMSM-UNOMPAQXSA-N 410.882 5.073 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1ccc(F)cc1 409023479 NXLYOHKDKWUCPU-UDWIEESQSA-N 415.486 5.248 0 40 HKAB Cc1cccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)c1C 409115464 RRXCWRTXMZHXJN-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)C1(c2cccs2)CCCC1 606440572 CHPLXMQIBZXQHS-CQSZACIVSA-N 403.594 5.200 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H]([C@@]5(C)CCC(=O)O5)[C@@]4(C)CC[C@@H]32)C1 1543020021 ZSUHSKYVVTXINZ-AFQNBYTLSA-N 414.586 5.593 0 40 HKAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc(OC)cc1OC 645465 RYSLRHQPBMSWLI-UHFFFAOYSA-N 400.862 5.134 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(Br)o1 708652 MLLICXSOCOZINC-UHFFFAOYSA-N 420.284 5.200 0 40 HKAB O=C(Nc1ccccc1N1CCCC1)c1ccc(-c2cc(Cl)ccc2Cl)o1 1096033 YORKZDDQHJNAFQ-UHFFFAOYSA-N 401.293 6.106 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3ccco3)C(=O)c3cccc(F)c3)cc2c1 1364802 NBJKJZCYYBHUIJ-UHFFFAOYSA-N 422.887 6.080 0 40 HKAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1Cl 2388785 RRVRXUDSLSWJBP-UHFFFAOYSA-N 424.913 5.136 0 40 HKAB COc1cccc(-c2nc(Oc3cc(C)ccc3C(C)C)c3ccccc3n2)c1O 2427032 MGKRFMWPTVBWPE-UHFFFAOYSA-N 400.478 6.235 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c(C)c1 2590130 HKAJPLLGUUDEGR-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB Cc1ccc(C2=C[C@](C)(c3ccc(C)cc3)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1 2616084 IWGUQTXRUVPWAD-GDLZYMKVSA-N 419.572 6.879 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 2632360 SIVCLHUYQWPPBM-UHFFFAOYSA-N 412.411 5.827 0 40 HKAB O=C(Nc1ccc(F)cc1)c1sccc1SCc1cccc(C(F)(F)F)c1 3104162 DZAYTJFRVLLLHV-UHFFFAOYSA-N 411.445 6.451 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(F)cc2)cc1 3655292 NUXOBGSKTMIQFU-UHFFFAOYSA-N 403.409 5.129 0 40 HKAB Cc1ccc(C)c(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 4033361 VERQDDDUEODWKX-HXUWFJFHSA-N 413.496 5.361 0 40 HKAB CCCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(Cl)cc1 4328775 NCSROXZVQFEVMT-UHFFFAOYSA-N 414.962 5.356 0 40 HKAB Cc1nc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc2n1-c1ccccc1 4718347 CCFWWYOTIWRJHG-UHFFFAOYSA-N 403.485 6.253 0 40 HKAB COc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)no2)cc1OC 4880890 XIRQGERNHIWWQN-UHFFFAOYSA-N 412.530 5.466 0 40 HKAB O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 4936048 NGQDIDBSBLGUJW-JOCHJYFZSA-N 403.844 5.619 0 40 HKAB COc1ccc(CN(Cc2ccccc2F)C(=O)c2cc3sccc3n2C)cc1 4971235 JATWUWXPEOPJJV-UHFFFAOYSA-N 408.498 5.230 0 40 HKAB CC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3c2C1 5214442 DBCGSBHBUMFFJI-CQSZACIVSA-N 401.503 5.524 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nc2ccccc2o1)c1ccccc1 5628617 MZCHZPHCIRDMKY-NRFANRHFSA-N 404.491 5.617 0 40 HKAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1sc2cc(F)ccc2c1Cl 6648601 IPUYOQWUTLMENG-UHFFFAOYSA-N 407.257 5.180 0 40 HKAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccccc1SCc1ccccc1 7684946 FFXLYSTURWYDBN-UHFFFAOYSA-N 415.518 5.301 0 40 HKAB O=C(Nc1c(C(=O)Nc2ccccc2)oc2ccccc12)c1cc(=O)c2ccccc2o1 9194844 YSTALVMJCDTQCU-UHFFFAOYSA-N 424.412 5.044 0 40 HKAB Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccc(Cl)cc1 9403998 YOQVBXLJCFBKNW-UHFFFAOYSA-N 415.927 5.121 0 40 HKAB O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccccc1Br 9795753 KYSZJNRGAHLSIC-UHFFFAOYSA-N 423.026 5.483 0 40 HKAB O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1cccc(Cl)c1Cl 13137399 RWFJYFRIQPJTJS-UHFFFAOYSA-N 402.633 5.049 0 40 HKAB CCCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccoc1C 13512469 HIDYICFORFLGES-UHFFFAOYSA-N 424.448 5.006 0 40 HKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 13708396 NYFMZKQZIZAAGT-LJQANCHMSA-N 413.542 6.538 0 40 HKAB Cc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)cc2C)c1 13714490 PBBAZDOREPGPQQ-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB C[C@H]1S[C@H](c2cccc(Br)c2)N(c2nc3ccccc3s2)C1=O 16608044 QAKDFWIWDWMESM-QLJPJBMISA-N 405.342 5.226 0 40 HKAB Cc1ccc(C(C)C)c2c1CN(CCN1COc3c(C(C)C)ccc(C)c3C1)CO2 19365176 JAJGLKRXLRNOLE-UHFFFAOYSA-N 408.586 5.554 0 40 HKAB CCOc1ccc(CC(=O)N2CCC[C@@H]2c2cc(-c3ccccc3)cc(C)n2)cc1 19690684 LKBBMUBFSZKXDL-RUZDIDTESA-N 400.522 5.362 0 40 HKAB C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 28293678 XVRGLGWJTAAVDC-AWEZNQCLSA-N 402.828 5.014 0 40 HKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1ccc(-c2ccccc2F)o1 32719564 USMJNMJYRZCDMJ-ZRDIBKRKSA-N 421.428 5.181 0 40 HKAB CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 33648504 SRSRUFPAEKRQOK-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB O=C(c1ccc(COCC(F)(F)F)cc1)N1CCC(=Cc2cccc(F)c2)CC1 40135710 GRUGAGDCALMUBJ-UHFFFAOYSA-N 407.407 5.224 0 40 HKAB CC(C)Oc1cccc(CCCNC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c1 44916250 BEWBLPJNSZHNKT-NRFANRHFSA-N 408.586 5.068 0 40 HKAB Cc1ccc2c(Nc3ccc(F)c(Cl)c3)c(C(=O)N3CCCCCC3)cnc2n1 49004675 ICLYTBZZPLPSHR-UHFFFAOYSA-N 412.896 5.491 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(F)c1 49005028 DIBMZPUBYJXYOP-GOSISDBHSA-N 406.505 5.534 0 40 HKAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl 57364140 OCPJCRUEGNVWCK-UHFFFAOYSA-N 419.739 5.965 0 40 HKAB Cc1ccc(C)c(Oc2ccc(CNC(=O)c3oc(Br)cc3C)cn2)c1 58406305 UXMFJHYRLJZWTA-UHFFFAOYSA-N 415.287 5.085 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 59268026 SIPGOYOILHELCP-UHFFFAOYSA-N 408.310 5.391 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)c1 72230048 ALZOBWUKZPPGMI-VWLOTQADSA-N 423.940 5.871 0 40 HKAB C[C@@H](NC(=O)CCC(=O)Nc1ccccc1CN(C)C1CCCCC1)c1ccccc1 89905565 SVJDLEXKCPXNRJ-HXUWFJFHSA-N 421.585 5.047 0 40 HKAB Cc1c(-c2nnc3sc(Cc4ccc(-c5ccccc5)cc4)nn23)oc2ccccc12 96194274 FXZHKKWIBRMBTL-UHFFFAOYSA-N 422.513 6.165 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)Nc5cc(Cl)cc(Cl)c5)(C4)C2)C3)cc1 101132764 SHNWDDWANUDFGT-GAAJCNLQSA-N 414.376 6.779 0 40 HKAB Cc1cccc2sc(NC(=O)CC34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)nc12 102316811 SUFMRIPNIILQAI-RCRDTURJSA-N 419.388 5.667 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1 108013499 KNTXIFXNOPQUKE-KRWDZBQOSA-N 400.950 5.861 0 40 HKAB CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)NCCOc3ccc(-c4ccccc4)cc3)c2C1 141559136 IZOSXRFSKQEEAA-HXUWFJFHSA-N 417.553 5.037 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](c1ccccc1)c1ccccc1C 216272765 XZFGJTMYLMYIHN-XZOQPEGZSA-N 409.982 6.425 0 40 HKAB O=C(CSc1nc2ccccc2s1)N1CCS[C@@H](c2cccs2)CC1 219462932 DYFRRNSDVKLQJX-MRXNPFEDSA-N 406.623 5.157 0 40 HKAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl 222776266 NXZQASRBMTYHGH-RBUKOAKNSA-N 417.365 5.172 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccccc1C(C)C 224229015 ARIKSTVMHRSWMM-UHFFFAOYSA-N 409.913 6.303 0 40 HKAB CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1 225531843 JAMFAFOUNOKVMG-UHFFFAOYSA-N 424.585 5.256 0 40 HKAB CCN(CC)CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1 225558743 LQIQLAMRCJCUOG-UHFFFAOYSA-N 424.585 5.256 0 40 HKAB Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)c(Br)c1 227148006 HWFPPMPUFZWNET-JXMROGBWSA-N 417.690 5.597 0 40 HKAB CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 248256706 KZJWDPNRJALLNS-FCSYGDNISA-N 414.718 8.025 0 40 HKAB biogenic Cc1cccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2-c2ccccc2)c1 252572030 YUXRIPZNCGTWAX-UHFFFAOYSA-N 423.541 5.982 0 40 HKAB O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 408642895 OFJYNWWBGVORCY-NRFANRHFSA-N 422.484 5.624 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)cc3C)n2)cc1 408695839 TUYKBYAHLRFNBW-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3C)nc2-c2cccc(Cl)c2)c1 408699655 VMMNHGASELCLGT-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CC(C)Cn1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c2ccccc21 409146485 UJDXVZDJPKSKIS-NHDPSOOVSA-N 424.953 6.187 0 40 HKAB CC(C)Cc1ccc(C[C@]2(C)CCc3ccc(-c4ccccc4C(=O)O)cc3O2)cc1 585265350 ANGHNCUNKVXIBN-NDEPHWFRSA-N 414.545 6.577 0 40 HKAB CCOc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 1889186689 SDDXAJAVPWQDGV-RPFQQQIHSA-N 408.626 6.872 0 40 HKAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(C3CCCCC3)n2-c2ccccc2)cc1 907335 VWWFZYSCKJCDIW-GOSISDBHSA-N 420.582 5.743 0 40 HKAB C[C@H](NC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1ccccc1 917942 CQMNUARFKAHIIN-ZDUSSCGKSA-N 421.444 5.115 0 40 HKAB COc1ccc(C(=O)N(Cc2ccco2)c2nc(-c3ccc(C)cc3)cs2)cc1 932720 JNNWVFXQTXNSGW-UHFFFAOYSA-N 404.491 5.567 0 40 HKAB O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)N1CC[C@]2(O)CCCC[C@@H]2C1 2110899 VXLZFOGJWKLCAK-IQGLISFBSA-N 420.940 5.322 0 40 HKAB biogenic CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 2135446 VWLPLZIMERYDRE-UHFFFAOYSA-N 404.535 5.903 0 40 HKAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(c1ccc(F)cc1)C3 2410700 XWMICCFPSFBVFP-UHFFFAOYSA-N 401.437 5.188 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c1 2452695 KUGKVDKSZALFMV-UHFFFAOYSA-N 408.571 5.127 0 40 HKAB Cc1nn(C(C)(C)C)c(OC(=O)c2ccc(OC(C)C)cc2)c1Sc1ccccc1 2718561 JDXRJEFGDWZWMC-UHFFFAOYSA-N 424.566 6.104 0 40 HKAB CCCCN(CCCC)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 3109155 WVCCHOLYEZLICC-UHFFFAOYSA-N 416.374 5.564 0 40 HKAB CCc1ccc(NC(=O)c2ccccc2NC(=O)Nc2cccc3ccccc23)cc1 3145023 JURMDBJAMWGXIP-UHFFFAOYSA-N 409.489 6.299 0 40 HKAB COc1ccccc1/C=C(/C(=O)OCCCC(=O)c1ccc(F)cc1)c1ccccc1 3359963 WHWKRALVJPZAIP-PTGBLXJZSA-N 418.464 5.581 0 40 HKAB CC(C)CC(=O)Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12 3655542 UZGWEPNEBYDBHI-UHFFFAOYSA-N 400.272 5.411 0 40 HKAB CCc1ccc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)cc1 4060651 NAAAOZFUTKBGAP-UHFFFAOYSA-N 400.547 5.983 0 40 HKAB CC(C)(C)c1ccc(CSc2nnc(-c3ccc(Br)cc3)o2)cc1 4129589 CLIQLHAADRUBKQ-UHFFFAOYSA-N 403.345 6.089 0 40 HKAB Cc1ccc2[nH]c(SCc3nc4ccc(Br)cn4c3Cl)nc2c1 4136437 XXLXGOTXCXLKBG-UHFFFAOYSA-N 407.724 5.227 0 40 HKAB CCc1ccc(-c2nc(NC(=S)NC(=O)c3ccc(Cl)cc3)sc2C)cc1 4652190 ZUYROOAFWLIHGN-UHFFFAOYSA-N 415.971 5.461 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)cc1C 4660853 QIYUVBSQTHDJPJ-UHFFFAOYSA-N 419.546 6.191 0 40 HKAB Cn1c(-c2cccc(Cl)c2)cnc1NCc1cccc(OCc2ccccc2)c1 4678340 DYJXAYNGKXHBSF-UHFFFAOYSA-N 403.913 5.932 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccc(F)cc3)oc2SCC(C)C)cc1 4875235 DNJGAZHWZGZKPA-UHFFFAOYSA-N 405.516 5.370 0 40 HKAB CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1c(Cl)cccc1Cl 5033059 PRUWMCDBKSNGLJ-BCHFMIIMSA-N 416.285 5.471 0 40 HKAB Cc1ccc(C(=O)N[C@H](Nc2ccccc2C(F)(F)F)C(=O)c2ccccc2)cc1 5128802 ZQHZYBTXCGRDII-NRFANRHFSA-N 412.411 5.065 0 40 HKAB Cc1nc(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c2c(C)c(C)sc2n1 5429112 NNMJQYYGAFHYJW-DGCLKSJQSA-N 403.548 5.114 0 40 HKAB CC(=O)[C@]12CCCC[C@@H]1C[C@@H]1[C@@H]3C[C@H](C)[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 5529544 PATZWJFBWJISFP-WLCUAHGPSA-N 402.619 5.126 0 40 HKAB CCOc1ccc(Oc2c(C)oc3cc(O[C@H](C)c4ccccc4)ccc3c2=O)cc1 5543923 YIXONLSWKJRORC-QGZVFWFLSA-N 416.473 6.432 0 40 HKAB CCc1ccccc1N[C@H](CNS(=O)(=O)c1ccc(Cl)s1)c1ccccc1 5688735 YWXZRHRFZNZGMI-GOSISDBHSA-N 420.987 5.096 0 40 HKAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc(Cl)cc1 6535841 DLDSFDNNWNYVLP-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc([C@H](C)CC)cc2)c1 6592816 XYNNXOJSKUJFOY-OAHLLOKOSA-N 402.922 5.610 0 40 HKAB O=C(Cc1csc(-c2ccccc2)n1)N(CCc1ccccc1)Cc1cccs1 8342618 RCHVLSJPXBXYGG-UHFFFAOYSA-N 418.587 5.686 0 40 HKAB Clc1ccc(C2=NN(c3cccc(Br)c3)[C@@H](c3cccs3)C2)cc1 8397973 QCRMXULNKKJGOY-GOSISDBHSA-N 417.759 6.520 0 40 HKAB Cc1ccc([C@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2CCc2ccccc2)cc1 8917070 ALGYCLKBIZKRQA-DEOSSOPVSA-N 409.485 5.198 0 40 HKAB Cc1nc2c(=O)n(Cc3ccc(Cl)cc3Cl)nc(-c3cccs3)c2s1 8956076 CUFKVHXUBWTZDZ-UHFFFAOYSA-N 408.335 5.245 0 40 HKAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2cccc3ccccc23)n1 9226308 LCRMQQPAPJHRNF-UHFFFAOYSA-N 424.913 5.018 0 40 HKAB CN(Cc1ccsc1)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 9575933 JWEXOADSKUWXDF-UHFFFAOYSA-N 420.559 5.821 0 40 HKAB COc1ccc(NC(=O)[C@H](Nc2ccc3oc(C)nc3c2)c2ccccc2)cc1Cl 9646885 XODFUARRZZZZSR-JOCHJYFZSA-N 421.884 5.590 0 40 HKAB CCCn1c(SCC(=O)N[C@H](C)c2ccco2)nc2ccc(C(F)(F)F)cc21 11021841 JYSMVOZNTFLZOG-GFCCVEGCSA-N 411.449 5.028 0 40 HKAB COc1ccccc1NC(=O)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1 11692344 LLQMAHTWTWFLMJ-UHFFFAOYSA-N 424.325 5.827 0 40 HKAB Cc1cc(C)c2nc(NC(=O)c3cc(-c4ccc5c(c4)C[C@H](C)O5)on3)sc2c1 11914533 FMRYRUDFRUBURI-ZDUSSCGKSA-N 405.479 5.144 0 40 HKAB CSc1ccccc1C(=O)Nc1cc(C)nn1-c1nc(-c2ccc(F)cc2)cs1 12442072 KQVHIUCZRXBWMX-UHFFFAOYSA-N 424.526 5.418 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1F)N(C(=O)Nc1ccccc1)CC2 13691495 VTPXPICMHDLMEP-HSZRJFAPSA-N 406.457 5.023 0 40 HKAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccccc1C 13727806 HEQBYCQUGKZKKB-UHFFFAOYSA-N 424.566 5.217 0 40 HKAB COc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)ccc1OCc1cccc(C)c1 13927435 CLLBRZUGYUZRDT-HMAPJEAMSA-N 413.473 5.236 0 40 HKAB O=C(OCc1csc(Nc2ccccc2)n1)c1ccccc1NCc1ccco1 15583699 CSBTWKKZUZXQQY-UHFFFAOYSA-N 405.479 5.449 0 40 HKAB Cc1ccccc1NC(=O)CSc1ncc(-c2cccc(Br)c2)o1 16841085 NRXJWRACPSDZAH-UHFFFAOYSA-N 403.301 5.143 0 40 HKAB O=C(COc1cccc2ccccc12)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 17089116 YZJFJLYMBCJKRE-UHFFFAOYSA-N 412.420 5.805 0 40 HKAB Oc1ccccc1-c1nc(Nc2ccc(Oc3ccccc3)cc2)c2ccccc2n1 17196562 WAZXFAOOFCVFHY-UHFFFAOYSA-N 405.457 6.538 0 40 HKAB CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 17316728 KZCAHYKTVWPTDU-UHFFFAOYSA-N 422.531 5.009 0 40 HKAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N(Cc1cccs1)Cc1cccs1 20001086 JSTDXHOERLMWRA-UHFFFAOYSA-N 417.499 5.220 0 40 HKAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 20457818 QBRWXEPMTCLOIM-OAQYLSRUSA-N 408.586 5.068 0 40 HKAB COc1ccc(Cc2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cc1OC 20759902 YDTZLOGJIJOLDP-UHFFFAOYSA-N 411.310 5.277 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 21580315 RFOCJYXUUQTUIU-UHFFFAOYSA-N 412.276 5.798 0 40 HKAB Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc4ccccc4c3)c2c1C 23982419 GYUCUXQQPMHLSQ-UHFFFAOYSA-N 405.523 5.086 0 40 HKAB O=C(NCc1ccc(Cl)cc1Cl)/C(=C/c1ccccc1Cl)c1ccccc1 24539375 MKZGYRJVSYMCLK-XDHOZWIPSA-N 416.735 6.504 0 40 HKAB O=C(Nc1sc(-c2cc3ccccc3oc2=O)nc1-c1ccccc1)c1ccco1 27562107 QVIWVPODONQHHQ-UHFFFAOYSA-N 414.442 5.429 0 40 HKAB O=C(Nc1cc(Cl)ccc1O)c1ccc(COc2ccccc2Br)o1 28229282 CLAFJKUXLYGRIB-UHFFFAOYSA-N 422.662 5.232 0 40 HKAB CCOc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 28579263 NMVJXLORIXISQP-UHFFFAOYSA-N 401.915 5.134 0 40 HKAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 31381834 AKYNKTYYJQFLDG-KRWDZBQOSA-N 413.546 5.464 0 40 HKAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nc(-c3ccco3)nc3ccccc23)cc1 32868672 CSIQJKZLVIPOKM-CQSZACIVSA-N 417.490 5.212 0 40 HKAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c1 40040619 VZKYMKNUYZZIPW-INIZCTEOSA-N 421.884 5.174 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3oc4c(c3C)C(=O)CCC4)n2)cc1Cl 40131232 ZCBCNWOOUKUYSL-UHFFFAOYSA-N 416.886 5.145 0 40 HKAB CCCCOc1ccc(-c2cc(C(=O)Nc3ccccc3C(F)(F)F)no2)cc1 61997105 FOJVRUMEJFDICQ-UHFFFAOYSA-N 404.388 5.792 0 40 HKAB Cc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c(C)c1 67321517 KNFIVZHOWWRIOS-NVQXNPDNSA-N 412.489 5.317 0 40 HKAB Cc1nc(-c2cccc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)c2)n[nH]1 71945354 DHHSDAAHEMHUQC-OAQYLSRUSA-N 400.507 5.252 0 40 HKAB Cc1cc(O)cc2c1O[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C=C2 85999364 FEGYJQTVMVOWKC-BERHBOFZSA-N 400.647 8.304 0 40 HKAB biogenic CC(C)Sc1ccc(CC(=O)N2CCC(CSc3ccccn3)CC2)cc1 90608057 PPXYTXKEUVNHRU-UHFFFAOYSA-N 400.613 5.156 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)Cc1cc2c(cc1Br)OCCO2 95385631 FRAKMGRVWBMMTE-LBPRGKRZSA-N 419.344 5.023 0 40 HKAB Cc1ccc([C@H]2CC3=Nc4ccccc4N4C(=O)c5ccccc5[C@H]4C3=C(O)C2)cc1 100424171 RUYMIXHFMUVAQO-QYBDOPJKSA-N 406.485 6.172 0 40 HKAB CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc4ccccc4n32)ccc1O 102894577 PQWZZEDSCCVWDT-JOCHJYFZSA-N 403.482 5.448 0 40 HKAB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccccc2)C1=O 106680967 NYQAIKFKOYNARK-JCMHNJIXSA-N 403.503 5.865 0 40 HKAB Fc1ccc(COc2ccc(C(=S)N3CCCCC3)cc2Br)cc1 107939081 FZTZFFLNSKKUGO-UHFFFAOYSA-N 408.336 5.329 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219386913 DAWCNCLFUJBDAC-QUCCMNQESA-N 403.975 5.938 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCS[C@H](c2cccs2)CC1 219491060 GGVPROPSODRWDB-KRWDZBQOSA-N 418.971 5.685 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(Cl)c(C)c3)N21 222710016 MFTIKJBZPYVITI-URZJWIJPSA-N 422.985 5.814 0 40 HKAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 223079129 CSZCDPKDLVMEAR-UHFFFAOYSA-N 416.496 5.794 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 223244976 ACCUEEXIJWMTTH-XZOQPEGZSA-N 423.553 5.150 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1cccc(C)c1 224117654 AXSCXZWXVZVDRQ-QGZVFWFLSA-N 409.913 5.727 0 40 HKAB O=C(Nc1ccc2c3c(cccc13)CC2)C1CCN(Cc2ccc(Cl)cc2)CC1 224537558 XDWZHCDMBNNRCD-UHFFFAOYSA-N 404.941 5.443 0 40 HKAB COC(=O)c1cc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)ccc1Cl 225510692 SKPBSQBNMTVVMC-OAQYLSRUSA-N 424.953 5.511 0 40 HKAB CCCCOc1ncc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C 225870349 DTZJMUXTNBFKHB-UHFFFAOYSA-N 400.950 6.063 0 40 HKAB CCCC(=O)N1CCC(Cc2ccccc2-c2ccccc2C)(C(=O)NC(C)C)CC1 257222721 DULCFJXVUGKUOE-UHFFFAOYSA-N 420.597 5.138 0 40 HKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260812535 FMUMRISIXVPUSY-RDPSFJRHSA-N 404.595 5.111 0 40 HKAB COc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C)cc1 408555282 WUAQFFGISIZTJT-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2cccc(Cl)c2)cc1 408694510 JUWMKRRGRFLVKP-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2ccc(Cl)cc2)c1 408695896 USUMUFCNHVXQSE-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2cccc(Cl)c2)cc1 408697381 GVTWJRQZPQZSRJ-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccc(F)cc2)cc1 408698297 OWAWKKBACTWUHE-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1cccc(CSCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 408927470 VSVRTGICYDRWCJ-HAVVHWLPSA-N 421.993 6.239 0 40 HKAB COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(C)c2)cc1 409107346 OYDFRDHTVORJRE-UHFFFAOYSA-N 401.535 5.467 0 40 HKAB Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)c1C 409118220 NMBGCGPVNRJGLY-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 409122068 YQXQCSORIPKKQQ-UHFFFAOYSA-N 411.523 5.082 0 40 HKAB O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(-c2ccccc2)cc1 409172093 HEXIZZBIWDFDBM-UHFFFAOYSA-N 416.373 6.324 0 40 HKAB CCOc1cc(C)ccc1OCc1nnc(SCc2ccccc2Cl)n1CC 409346763 NYFWICBWWWGQMA-UHFFFAOYSA-N 417.962 5.530 0 40 HKAB O=C(O)c1cc(-c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)on1 1857794150 YDZXESQRTLXKQF-UHFFFAOYSA-N 401.418 5.198 0 40 HKAB CC(C)[C@H]([C@@H](F)C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 1586256 DSSFNGQBDOOLFJ-CLJLJLNGSA-N 419.540 5.795 0 40 HKAB Cc1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1Cl 2149879 KRWFUFUQBBUVMG-UHFFFAOYSA-N 409.869 5.689 0 40 HKAB biogenic CCCCN(CCCC)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 2215896 JRGVRGNPNFBEEU-UHFFFAOYSA-N 410.631 6.333 0 40 HKAB CCCSc1nc2sc3c(c2c2nnc(SC(C)C)n12)C[C@@](C)(CC)OC3 2397307 PKZZXPLZCIHKFP-LJQANCHMSA-N 422.645 5.583 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 2410866 APZFQPPERFTWML-CQSZACIVSA-N 412.942 6.240 0 40 HKAB COc1ccc(-n2c(SCc3ccccc3F)nnc2-c2cccc(OC)c2)cc1 2452716 VMWLOKXAWVCGPM-UHFFFAOYSA-N 421.497 5.383 0 40 HKAB CCC[C@H](CNC(=O)COc1ncnc2sccc12)c1ccc(Cl)cc1Cl 2658796 SXKAXNWASHCYFY-GFCCVEGCSA-N 424.353 5.077 0 40 HKAB C[C@@H]1C[C@@H](C)CN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C1 2714603 CCCAKUMDNMGWBG-QZTJIDSGSA-N 416.956 6.223 0 40 HKAB CCOc1ccc(NC(=O)c2cccc(OC(=S)NCCCC(C)C)c2)cc1 3081556 CGJTXPWWJWPMKK-UHFFFAOYSA-N 400.544 5.027 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)/C=C/c1cccs1)CC2 3227881 VHQATFPAMOEPQC-DORXLWPQSA-N 411.548 5.014 0 40 HKAB Cc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)n(-c2ccccc2Cl)n1 3306759 RLQPXIYEXUBLLD-UHFFFAOYSA-N 415.880 5.710 0 40 HKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1c2c(nc3ccccc13)CCC2 3392498 ZVSUMZIDECTXHR-SANMLTNESA-N 407.469 5.505 0 40 HKAB CCOc1ccccc1NC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 3426554 WGFNGPGIYGHADE-UHFFFAOYSA-N 424.497 5.208 0 40 HKAB O=C(NCCC(c1ccccc1)c1ccccc1)C1c2ccccc2-c2ccccc21 3476650 VLLZWTPOWGLLPB-UHFFFAOYSA-N 403.525 6.137 0 40 HKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)cc1C 4033303 XTJDSUKJLLUFOA-QFIPXVFZSA-N 409.533 5.416 0 40 HKAB CCOc1ccc(CC(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)cc1 4063061 XWOXCLKXVWUGRC-UHFFFAOYSA-N 403.507 5.247 0 40 HKAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(-c2ccccc2)nc2ccccc12 4064588 MAZFIXZJNXBSCA-UHFFFAOYSA-N 415.496 6.140 0 40 HKAB CSc1nc2ccc3nc(Nc4nc5ccc(F)cc5s4)sc3c2s1 4137785 TXFQQDGPTNPNAV-UHFFFAOYSA-N 404.542 6.120 0 40 HKAB O=C(C1CCCCC1)N(CCc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 4215021 NBUHCIYSRJCGBG-UHFFFAOYSA-N 408.542 6.105 0 40 HKAB O=C(NCCCCCCCCCCCCNC(=O)c1cccs1)c1cccs1 4646712 ILADSEUMWJZGDV-UHFFFAOYSA-N 420.644 5.870 0 40 HKAB Cc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1Cl 4691585 MWIKAPQTNVOXHG-UHFFFAOYSA-N 404.691 5.582 0 40 HKAB Cc1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCCO5)cc1C 4969990 DDGAODMIFMAZJN-UHFFFAOYSA-N 407.473 5.629 0 40 HKAB C[C@H]1CCc2c(oc3c2cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc23)C1 5214465 HEUWPOQJZDZZEA-AWEZNQCLSA-N 409.482 5.651 0 40 HKAB Cc1ccc(P(=Nc2ccccc2Br)(N2CCCC2)N2CCCC2)o1 5684600 LJEPKPWXUMTFTJ-UHFFFAOYSA-N 422.307 5.530 0 40 HKAB Cc1cccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1 5938614 NIVWPGQXHVCAKG-FVFHPELPSA-N 416.565 5.582 0 40 HKAB Cc1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)sc2c1 6450456 WKQINXIXCCCIBQ-JXMROGBWSA-N 408.910 6.478 0 40 HKAB O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1ccc(Cl)cc1Cl 6529823 LHHDHLXYNQABLI-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB Cc1ccc(N2C(=O)/C(=C\Nc3cccc(Cl)c3)c3ccccc3C2=O)c(C)c1 6706683 ZJNOWFVRZNGZQX-STZFKDTASA-N 402.881 5.597 0 40 HKAB O=C(c1ccc(Cl)cc1)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1ccccc1Cl 8453252 HFNXRFAUFNJACL-REWPJTCUSA-N 421.327 6.157 0 40 HKAB COc1ccc(-c2nc(NC(=O)COc3ccc(Cl)cc3Cl)sc2C)cc1 9636846 KEUDTPYJVSWBQK-UHFFFAOYSA-N 423.321 5.451 0 40 HKAB Fc1ccccc1-c1nnc(SCc2c(F)c(F)c(F)c(F)c2F)n1C1CC1 9639825 WLPLDPCEDDCJBG-UHFFFAOYSA-N 415.362 5.407 0 40 HKAB CCOc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)cc1 10253859 QFJFWKCHDJXMCL-UHFFFAOYSA-N 400.269 5.265 0 40 HKAB O=c1cc(CSc2nc3ccccc3s2)c2ccc(Br)cc2o1 10964756 NMGDOOBEQBDMNZ-UHFFFAOYSA-N 404.310 5.458 0 40 HKAB O=S(=O)(Nc1ccc(Cl)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 13058984 DGLPHNVKSAFNIT-UHFFFAOYSA-N 403.731 5.178 0 40 HKAB CCc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 13787131 AZUWZPOJYMRUBV-ATIYNZHBSA-N 414.505 5.509 0 40 HKAB Cc1ccc(C)c(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)c1 14135897 KUODCDFWBKOBHY-UHFFFAOYSA-N 412.489 5.159 0 40 HKAB Fc1ccccc1-c1cs/c(=N\c2ccc(OC(F)F)cc2)n1C1CCCCC1 15910614 KCCGQWINQMXCIE-ROMGYVFFSA-N 418.484 6.695 0 40 HKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1 15947629 JBIPRTMVXJKSAM-HXPMCKFVSA-N 424.547 5.583 0 40 HKAB O=C(O)c1ccc(CNCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 16449727 CRTNMPBXTXGPRJ-UHFFFAOYSA-N 416.304 5.560 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(NC(=O)COc3cccc4ccccc34)cc2)c1 17088507 XQLBPZWNHMARBC-UHFFFAOYSA-N 410.473 5.418 0 40 HKAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)C2CCCCC2)n1 19689615 OZEPHWKSCMUSPX-FQEVSTJZSA-N 412.965 5.107 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc(-c3ccco3)nc3ccccc23)c1 22189137 KSLDFBDPBSIZKA-MRXNPFEDSA-N 403.507 5.626 0 40 HKAB Cc1c(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)oc2c1ccc1ccccc12 23102872 QBBZWOCWJYGQQD-MRXNPFEDSA-N 412.489 5.734 0 40 HKAB COc1ccc(/C=C2\SC(=O)N(CNc3cc(Cl)ccc3Cl)C2=O)cc1 33908988 VAJSZQTVJSGRKJ-PXNMLYILSA-N 409.294 5.108 0 40 HKAB COc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)cc1Cl 36616676 KGSRGJYZTANLMY-UHFFFAOYSA-N 420.900 5.011 0 40 HKAB CC(C)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 38833699 LWYAGDZJIOJRPB-GOSISDBHSA-N 405.369 5.968 0 40 HKAB CCOC(=O)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)c(Cl)c1 44848003 NQEXFUIKHWDYKF-UHFFFAOYSA-N 407.897 5.677 0 40 HKAB C[C@@H](Nc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1Cl)c1ccccc1 58423372 GXDORVVABDVQOI-OAHLLOKOSA-N 418.880 5.872 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(N2CCCCC2)c(Cl)c1 59477537 TXRFRGYYOAFLHX-SDNWHVSQSA-N 406.913 6.242 0 40 HKAB O=c1[nH]n(C2CCCCCC2)c2c1[C@H](c1ccc(Br)s1)CC(O)=N2 71283746 FLAPQHKPPCZCDG-NSHDSACASA-N 410.337 5.019 0 40 HKAB O=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 72230068 YIRKRWWFZPGGFJ-OAQYLSRUSA-N 402.277 5.093 0 40 HKAB Cc1nn(C)c(C)c1C[C@@H](C)C(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 72310799 MLLDFJKOMKIRPC-QLJPJBMISA-N 422.369 5.081 0 40 HKAB COc1ccc2c(c1)CN(C(=O)Nc1ccc(F)cc1OC)[C@@H](c1ccccc1)C2 97164636 UDWXRCOMQNAUNU-JOCHJYFZSA-N 406.457 5.174 0 40 HKAB CC(C)CCC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118916745 ZJIBAMHOAQWYSE-ZHHJOTBYSA-N 400.647 6.568 0 40 HKAB C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118936407 CIBAPVLFORANSS-LBTVUSOMSA-N 414.630 6.002 0 40 HKAB in-man CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 223125291 JJMUXJIOWDGCDY-OAQYLSRUSA-N 422.421 6.373 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)cc1Cl 223187266 MEFGUVZHEQSKGN-UHFFFAOYSA-N 418.276 6.055 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccccc1C 224099253 DXGSWOBXJDXREQ-UHFFFAOYSA-N 415.411 5.854 0 40 HKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(CN2CCCCC2)c1 224670342 NMFLMWIPECOEQU-FQEVSTJZSA-N 408.586 5.054 0 40 HKAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 224773766 PPJKJBGQNBFYLN-NRFANRHFSA-N 416.565 5.024 0 40 HKAB Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCC1 225022073 QVWWEPHHPWPNPZ-GOTSBHOMSA-N 402.567 5.096 0 40 HKAB O=C(O)[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1ccc2ccccc2c1 225134615 STEARFFISPNOHM-DEOSSOPVSA-N 418.876 6.360 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 225678995 WUMXIINJACUGAM-KRWDZBQOSA-N 418.946 5.024 0 40 HKAB COc1ccc(NC(=O)C(Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1 225935983 JZSRKGOUHYABOX-UHFFFAOYSA-N 407.513 5.863 0 40 HKAB C[C@@H](NC(=S)Nc1nc(Oc2ccccc2)cc(C(F)(F)F)n1)c1ccccc1 225963733 LTHCWJOBBQHSQS-CYBMUJFWSA-N 418.444 5.335 0 40 HKAB Cc1cc(N)c(NC(=O)c2cccc(Br)c2)cc1N1C[C@@H](C)C[C@@H](C)C1 226330212 NYFHIOPEYBDJOT-OKILXGFUSA-N 416.363 5.074 0 40 HKAB Cc1cc(N)cc(Cl)c1NC(=O)/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 227145978 FFQCIZSIOPJKHP-QPJJXVBHSA-N 405.256 5.935 0 40 HKAB CCOc1cc(C(=S)NCc2ccco2)ccc1OCc1ccc(Cl)cc1 408578552 YQZOAGOFEVHGOS-UHFFFAOYSA-N 401.915 5.376 0 40 HKAB O=C(CNc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(C2CCCCC2)cc1 408718575 AMEQENWVJLTQGK-UHFFFAOYSA-N 419.952 7.475 0 40 HKAB Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1-c1ccncc1 409230898 HDWWGJQWVYRBOT-UDWIEESQSA-N 423.925 5.379 0 40 HKAB CN(Cc1ccccc1)C1=NCCCCCCOc2ccccc2Oc2ncccc21 1615079557 MPAPHPFRMNBMBU-UHFFFAOYSA-N 415.537 5.705 0 40 HKAB COc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccncc2)cc1 664137 ORCIQCAXKJLPRX-UHFFFAOYSA-N 408.914 5.284 0 40 HKAB COc1ccc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(Cl)cc2)cc1 1024944 FBLBNTOHNIGSQB-HSZRJFAPSA-N 415.880 5.489 0 40 HKAB CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2C)cc1 1063504 RDUJUPNTEPDOHH-SANMLTNESA-N 410.517 5.663 0 40 HKAB biogenic COc1ccc(CCN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)C2CC2)cc1 1339468 CGBMDOWIXYSXSD-UHFFFAOYSA-N 422.956 5.495 0 40 HKAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)c4ccccc4F)c23)C1 1377322 PALDRURGBDBLRC-LBPRGKRZSA-N 412.555 5.808 0 40 HKAB O=C(Cc1ncc(C(F)(F)F)cc1Cl)Nc1ccccc1Oc1ccccc1 1394964 HAQZMVLIHIJSRN-UHFFFAOYSA-N 406.791 5.727 0 40 HKAB O=C(c1ccc(Cl)c(Cl)c1)c1cc(-c2ccccn2)c(N2CCOCC2)s1 1399994 UXPZZGHVSYVHDK-UHFFFAOYSA-N 419.333 5.185 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)c(=O)n(Cc2ccccc2)c1 1400078 OXVGXSFAEFILKT-UHFFFAOYSA-N 407.684 5.109 0 40 HKAB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(c2ccccc2)C3=O)cc1 1413237 INRHULGQWZLFJT-DEOSSOPVSA-N 413.452 5.364 0 40 HKAB Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(F)cc4)ccc3o2)c1C 1413985 SILPVYAPYPQDKA-UHFFFAOYSA-N 419.481 5.378 0 40 HKAB Cc1ccccc1-n1c(SCC(=O)c2ccccc2)nnc1-c1ccc(F)cc1 1438346 ITAXUHFMNHUGHD-UHFFFAOYSA-N 403.482 5.357 0 40 HKAB CC(C)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1C(C)C 2012050 RMNODSGCFHVNDC-UHFFFAOYSA-N 410.450 7.578 0 40 HKAB in-vitro CCOc1ccc([C@@H](CC(=O)c2ccccc2)Nc2ccc(Br)cc2)cc1 2068482 SQRBFUCXEVABJO-JOCHJYFZSA-N 424.338 6.274 0 40 HKAB CCCOC(=O)c1c(NC(=O)c2ccoc2C)sc(C)c1-c1cc(C)ccc1C 2102956 IRWLHAGNKWFVAN-UHFFFAOYSA-N 411.523 6.061 0 40 HKAB O=C(Nc1ccccc1Cc1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2652466 YAUKTMAYAXBIFZ-UHFFFAOYSA-N 423.356 6.567 0 40 HKAB O=C(NC1CCCCCC1)c1ccc(COc2ccccc2Br)cc1 2753351 QPMRKCOSIAAUEK-UHFFFAOYSA-N 402.332 5.481 0 40 HKAB CCOc1ccc(NC(=O)COC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 3319319 GHBPGFVWKJWQCY-UHFFFAOYSA-N 424.305 5.402 0 40 HKAB Cc1ccc(C(=O)NCCn2cc(SCc3ccccc3)c3ccccc32)cc1C 4059816 ZDQWRRZWWIDTLL-UHFFFAOYSA-N 414.574 5.980 0 40 HKAB CC(C)OCCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 4700050 LYVAQWQTGPAFKI-HHHXNRCGSA-N 424.544 6.195 0 40 HKAB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccc(Cl)c1Cl 4703939 VOPUYCVMJRAPRN-UHFFFAOYSA-N 408.354 5.111 0 40 HKAB COc1ccc(NC(=S)NCC[C@H]2[C@@H](c3c(C)[nH]c4ccccc34)C2(C)C)cc1 4942652 ZZDCOZXHCBYOND-UGKGYDQZSA-N 407.583 5.601 0 40 HKAB Cc1[nH]c2c(-c3ccccc3)c(Cc3ccccc3)nn2c(=O)c1Cc1ccccc1 5209715 COYCLFLAEIENGE-UHFFFAOYSA-N 405.501 5.180 0 40 HKAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)c2ccccc12)c1cccs1 5242748 BKGWVULLSREOEV-OAHLLOKOSA-N 405.548 5.328 0 40 HKAB CCC1=C[C@@H]([C@H](O)CC(C)C)[C@](C)(Cc2ccc(CC)cn2)N[C@H]1c1ccccc1 5389726 JPFMXPYYRABPJC-YAOOYPAMSA-N 406.614 5.649 0 40 HKAB CCCCCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2cc(OC)ccc2OC)n1 5826078 HVJMZDIYFXSVSN-UHFFFAOYSA-N 417.509 5.320 0 40 HKAB biogenic COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)/C=C/c1ccccc1 5977369 RRLNJLZTANLNJU-NTEUORMPSA-N 412.489 6.279 0 40 HKAB CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 6050086 PFRPMNQEIHFKPE-UHFFFAOYSA-N 400.434 5.599 0 40 HKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc4ccccc4c3)o2)cc1C 6256224 VCKKXNGFPMUVOC-UHFFFAOYSA-N 400.503 5.843 0 40 HKAB CC1CCN(C(=S)c2ccccc2OCc2ccc(Br)cc2)CC1 6634562 ZJSFIOGUJCBCOP-UHFFFAOYSA-N 404.373 5.436 0 40 HKAB CCc1ccc2nc(NC(=O)COc3ccccc3C3SCCS3)sc2c1 6934727 AOKCWQJIMABMFJ-UHFFFAOYSA-N 416.593 5.355 0 40 HKAB Cc1cccc(-n2cccc2/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)c1 6967855 MCQSZFSNIOUTFU-DEDYPNTBSA-N 407.926 5.639 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)c1 8370846 XPQOKDKBXWXXJD-UHFFFAOYSA-N 405.542 5.077 0 40 HKAB O=C(CCc1ccsc1)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 8390333 WOKRSVSVVBISTL-IBGZPJMESA-N 408.954 5.764 0 40 HKAB COc1ccc(CCNCc2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 8474314 LDAXQXGPKGZJFW-UHFFFAOYSA-N 411.929 5.269 0 40 HKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3C/C=C/c3ccccc3)CC2=O)cc1 8656870 QBPGXAPERIUZIH-HWWNHIDJSA-N 407.517 5.579 0 40 HKAB COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccc(Cl)cc3)cc2O)cc1 8737991 XDNHGUYFZYYFFN-UHFFFAOYSA-N 406.869 5.690 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1cccc(Cl)c1)Cc1ccco1 9431922 IBJLXDUCJOYXHG-UHFFFAOYSA-N 404.293 5.503 0 40 HKAB Cc1ccc2cc(CN(C(=O)c3ccccc3Cl)C3CCCCC3)c(=O)[nH]c2c1 9462734 KPZGJKRWISAHEV-UHFFFAOYSA-N 408.929 5.465 0 40 HKAB Cc1nc(-c2cccc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)c2)cs1 9996191 KJAKGXITBHWTDB-UHFFFAOYSA-N 411.914 5.151 0 40 HKAB CCOc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3ccc4c(c3)OCO4)C[C@H]21 10215821 FKFCBITVXQBREZ-JPYJTQIMSA-N 420.490 5.118 0 40 HKAB CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(C(C)=O)cc4)n3)oc12 10749581 ZNUJSPYTMJWJIO-UHFFFAOYSA-N 406.463 5.410 0 40 HKAB O=C(CCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ncc(Cc2ccccc2)o1 11689981 QDWVBWMDPVZNJO-UHFFFAOYSA-N 406.869 5.750 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](Nc1ccc2c(c1)OCCCO2)c1ccccc1 12798035 ZDKGARIVBKDIPX-XMMPIXPASA-N 418.493 5.039 0 40 HKAB CCC(CC)n1c(COc2ccccc2Cl)nnc1Sc1cc(C)nc(C)n1 13013025 VHJCVZRUQFLVOW-UHFFFAOYSA-N 417.966 5.430 0 40 HKAB Cc1cccc(-n2c(S[C@@H](C)c3nc(C(C)C)no3)nc3ccccc3c2=O)c1C 13014302 SZNXDEKERGEWEU-INIZCTEOSA-N 420.538 5.362 0 40 HKAB Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)oc2c(Cl)cccc12 13096004 XHFBJTXRDGNBNV-UHFFFAOYSA-N 420.778 5.246 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)c1C 14609438 FLYSFOFQVCJISX-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)c(Br)c2)N3)C1 15945439 NUIBQEYNEPGFHC-DYZYQPBXSA-N 421.360 5.463 0 40 HKAB Clc1ccc(COc2ccc(Cl)cc2CNCc2ccccc2Cl)cc1 16449707 HGQZBOHDWAUGAP-UHFFFAOYSA-N 406.740 6.516 0 40 HKAB Cc1ccc(N/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)cc1 18165941 HEDVGGRDHLKOFZ-KGENOOAVSA-N 422.406 5.654 0 40 HKAB Cc1ccc(-c2nnc([C@H]3CCCN(CCCC(=O)c4ccc(C)c(C)c4)C3)o2)s1 19213470 URXYHQPENJSIRJ-FQEVSTJZSA-N 423.582 5.566 0 40 HKAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1c(F)c(F)c(F)c(F)c1F 20143182 LKMAGQQJOLKQGJ-UHFFFAOYSA-N 417.717 5.040 0 40 HKAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 20460099 FGQSDANOERAMSR-FQEVSTJZSA-N 405.563 5.966 0 40 HKAB CCCc1nnc2sc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)nn12 20609721 NJBRDFZUCSJWGZ-UHFFFAOYSA-N 419.554 5.355 0 40 HKAB O=C(Nc1ccccc1-c1nc(-c2ccco2)no1)c1cc(Cl)ccc1Cl 22458865 PTAFUMOKRBZQOG-UHFFFAOYSA-N 400.221 5.556 0 40 HKAB COc1ccc(-c2nnc(CN[C@H](c3ccc(C4CCCCC4)cc3)C(C)C)o2)cc1 24716889 OVSRVUBFDMRUAU-VWLOTQADSA-N 419.569 6.280 0 40 HKAB O[C@@H](CNC(c1ccccc1)c1ccccc1)Cn1c2ccccc2c2ccccc21 27489723 KGXHHWMYGHWQMS-QHCPKHFHSA-N 406.529 5.535 0 40 HKAB COc1ccc(OCC(=O)N(C)[C@H](c2ccc(C)cc2)c2c[nH]c3ccccc23)cc1 27795398 PDFAESAAYUNARB-AREMUKBSSA-N 414.505 5.112 0 40 HKAB CSc1ccc(Cl)c(C(=O)Nc2c(C)nn(Cc3ccc(Cl)cc3)c2C)c1 27921719 APYAYYHXOLRIJC-UHFFFAOYSA-N 420.365 5.829 0 40 HKAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl 30965115 RSCPKONPOGGAFT-FQEVSTJZSA-N 410.304 5.584 0 40 HKAB Cc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccc(Cl)cc3)n2)cc1 33324965 XOUKWUKZVZIYES-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB O=C1N/C(=N\c2cc(C(F)(F)F)ccc2Cl)S/C1=C/c1ccc(Cl)cc1 35647422 NJXFZKZSRIHGEM-VGOFMYFVSA-N 417.239 5.904 0 40 HKAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 40135086 POWDTYPMQXYPMB-UHFFFAOYSA-N 424.859 5.900 0 40 HKAB O=C(Cn1c(Cc2ccccc2Cl)nc2ccccc21)Nc1cccc(Cl)c1 40301356 DNLJSDZFOHAGCC-UHFFFAOYSA-N 410.304 5.573 0 40 HKAB CCCCC(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC 40939176 QAVPPWKLCTYLCC-UHFFFAOYSA-N 410.333 5.401 0 40 HKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C)cc1 44935772 CAVPRYSGQLAESK-JOCHJYFZSA-N 419.396 5.781 0 40 HKAB Cc1ccc(CN(C)Cc2nc3scc(-c4ccccc4Cl)c3c(=O)[nH]2)cc1 57547541 WIJWGDJZRIDGGU-UHFFFAOYSA-N 409.942 5.245 0 40 HKAB Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@@H]1Cc1ccccc1Cl 65697073 HNLBKGMYDFCCOV-MRXNPFEDSA-N 400.931 5.141 0 40 HKAB CC(C)c1ccc(-c2nc3cc(Br)c(N)c(Br)c3o2)cc1 70461290 ZSEHVMGNLUQFFR-UHFFFAOYSA-N 410.109 5.725 0 40 HKAB Cc1ccc([C@@H]2N=C(Nc3nc4ccccc4o3)N=C3CC(C)(C)CC(O)=C32)cc1 102600402 VXMXNJPOYMDRLC-NRFANRHFSA-N 400.482 5.732 0 40 HKAB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@H](c4cccnc4)C3=C(O)C2)cc1OC 102731097 ACSPVRQCANXBBW-AOMKIAJQSA-N 417.465 5.003 0 40 HKAB CCOc1cc(C(=S)N2CCCC2)ccc1OCc1ccc(Cl)cc1Cl 107715946 HZBSGCYSNUTNGW-UHFFFAOYSA-N 410.366 5.742 0 40 HKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(CSc2ccccc2)cc1C 216443757 LNCJPKBWSXODGO-XMMPIXPASA-N 419.590 6.700 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 222694073 MCTZAQZRZUNEFF-IQJJTXKVSA-N 418.562 5.322 0 40 HKAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222801260 OWEIMURTPBYQLS-MOPGFXCFSA-N 415.971 5.472 0 40 HKAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC 223412336 QBJSHIQEGWEKJF-QFIPXVFZSA-N 400.950 5.126 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCOc1cccc2ccccc12 223570235 ALBHVMJKNQFPPK-UHFFFAOYSA-N 420.361 5.575 0 40 HKAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccc(Cl)c(C)c1 224202064 XICKBVKANJZXME-UHFFFAOYSA-N 409.913 5.474 0 40 HKAB Cc1ccc(CN(C(=O)Cc2cc(C)cc(C)c2)[C@H](C)C(=O)NC2CCCCC2)cc1 224758693 FEMGLKGWPUNMQB-JOCHJYFZSA-N 420.597 5.021 0 40 HKAB COC(=O)c1cc(NC(=S)NC(c2ccccc2)c2ccccc2)ccc1Cl 225519279 NTGVLBVFIOEPNW-UHFFFAOYSA-N 410.926 5.203 0 40 HKAB Cc1ccc([C@H](NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)C(C)C)c(C)c1 225766184 YZOGWZCYBQYRTQ-HSZRJFAPSA-N 409.599 5.422 0 40 HKAB COc1ccc(C2(NC(=S)Nc3ccc(F)c(Cl)c3)CCCC2)cc1OC 225856790 GUIAQVDZJWLUJW-UHFFFAOYSA-N 408.926 5.252 0 40 HKAB CCOCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c(C)n1 225870250 JPXFCMPXSBWTTO-UHFFFAOYSA-N 416.949 5.299 0 40 HKAB Cc1nc2ccccn2c1-c1nnc2sc(-c3ccc(-c4ccccc4)cc3)nn12 227143207 MXONJZYPNMBOFB-UHFFFAOYSA-N 408.490 5.143 0 40 HKAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)c3cc(C)c(C)s3)CC2)on1 257308706 TXUCKDNKIRMNJF-IYARVYRRSA-N 424.570 5.131 0 40 HKAB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccccc1C 408562670 RHINVGKLCPHQNZ-XDOYNYLZSA-N 415.356 5.357 0 40 HKAB CCCc1nc(S/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)O)n[nH]1 408631384 IGWXMXBPDXIEBF-GDNBJRDFSA-N 423.416 5.254 0 40 HKAB COc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)c(C)c3)n2)cc1 408694789 MLKLSOQPJLVORD-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB COc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)c(C)c3)n2)c1 408698288 OSTWIGWIMNGBSU-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB Cc1cccc(COc2ccccc2/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c1 409104344 DBCDRSQGDPLVSL-NDENLUEZSA-N 409.407 6.086 0 40 HKAB CCOc1ccc(NCc2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 409115232 KUMFYNITTMIWQJ-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB CCc1cccc2c(/C=C3\SC(=O)N(CC)C3=O)cn(Cc3ccccc3F)c12 409124411 HLCXIMQBOGDCGC-NDENLUEZSA-N 408.498 5.447 0 40 HKAB Cc1ccc(S[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 409176879 ZUXYGJGMVANGLS-CQSZACIVSA-N 414.423 5.832 0 40 HKAB O=C(C1CCCCC1)N1CCC(c2cccc(Nc3ncc(Cl)s3)n2)CC1 585263329 CANWKYVODCRVHU-UHFFFAOYSA-N 404.967 5.221 0 40 HKAB COC(=O)C1=C(C)Nc2nc3cc(C)c(C)cc3n2[C@@H]1c1cccc(Cl)c1Cl 628574 PONHDYXUIBCYPM-LJQANCHMSA-N 416.308 5.422 0 40 HKAB Cc1nnc(S[C@@H](C)C(=O)Nc2cccc3ccccc23)n1CCc1ccccc1 891393 KUNHISBFRBFNLS-KRWDZBQOSA-N 416.550 5.102 0 40 HKAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccccc1-c1ccccc1 922340 FYCYGPFIVUAKML-UHFFFAOYSA-N 405.454 5.274 0 40 HKAB O=C1COc2ccc(C3=Nc4ccccc4S[C@H](c4ccccc4Cl)C3)cc2N1 990167 FVFGUHZJUWCNNI-QFIPXVFZSA-N 420.921 6.029 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc5ccccc5o4)cc3)nc2c1 1250519 LDPJLDBTGKZXCQ-INIZCTEOSA-N 410.473 7.007 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3cccc(Cl)c3)cc2c1 1353102 LWEHURSIYMANJT-UHFFFAOYSA-N 421.884 5.317 0 40 HKAB O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(C(=O)c1ccco1)c1ccccc1F 1380120 MHWSJRWXDQKRLZ-JOCHJYFZSA-N 424.447 5.005 0 40 HKAB Cn1nc(CSc2ccccc2)c(COC(=O)Nc2ccc(Cl)cc2)c1Cl 1398201 KHRBDJSBBPGECH-UHFFFAOYSA-N 422.337 5.768 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)c(C)c3)c3cc(C)ccc3n2)cc1 2078761 GVYAGQLHWKHBJV-UHFFFAOYSA-N 423.512 6.175 0 40 HKAB Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2C)CC[C@H](C)C3)cc1 2185823 GYMLBNOBKMNJHW-INIZCTEOSA-N 418.562 5.994 0 40 HKAB COc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccccn2)cc1 2227304 DJVVXVRRQVVBOU-JXMROGBWSA-N 400.507 5.143 0 40 HKAB CC(=O)c1ccc(OC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 2762314 KJYQQFMGJJPNES-UHFFFAOYSA-N 416.864 5.615 0 40 HKAB Cc1ccc(S(=O)(=O)n2cnc3ccc(-c4ccccc4)c(-c4ccccc4)c32)cc1 3012549 MWFOOQWNEMMVHU-UHFFFAOYSA-N 424.525 5.916 0 40 HKAB COc1ccc(SCc2nc3ccc(Cl)cc3c(=O)n2-c2ccccc2C)cc1 3050394 TZLGMCPBBJYFGB-UHFFFAOYSA-N 422.937 5.648 0 40 HKAB FC(F)(F)c1cccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 3135126 CBNRSMMWWWQPMN-UHFFFAOYSA-N 410.464 7.055 0 40 HKAB Nc1c(Br)cc2oc(-c3ccccc3Cl)nc2c1Br 3882271 RBBCQIQFEPLZQH-UHFFFAOYSA-N 402.473 5.255 0 40 HKAB COc1ccc(C2N(Cc3ccccc3)c3ccccc3N2Cc2ccccc2)cc1 4433797 ORDHMIUMZDRBOG-UHFFFAOYSA-N 406.529 6.421 0 40 HKAB COc1ccc(C2=NN(c3nc(-c4ccc(C)cc4)cs3)[C@H](c3ccco3)C2)cc1 4603332 NMUSTYYHHBRSMQ-QFIPXVFZSA-N 415.518 6.076 0 40 HKAB COc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccccc1C 4851709 WDWTWPUJMRDTAP-MTJSOVHGSA-N 417.436 5.066 0 40 HKAB O=C(CN1C(=O)C[C@H](c2ccco2)Sc2ccccc21)Nc1ccc(Cl)cc1 5053326 ZLHFWKVUNGSAIZ-LJQANCHMSA-N 412.898 5.142 0 40 HKAB O=C(Cc1cccc2ccccc12)Nc1ccc2c(c1)CCCN2C(=O)c1ccco1 5099358 IQAUSDQGMWZVFD-UHFFFAOYSA-N 410.473 5.207 0 40 HKAB O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 5560703 PVCYMMYUQWVWCC-UHFFFAOYSA-N 417.789 5.676 0 40 HKAB CCN(CC)P(=O)(C(Cl)=C(N1CCCCC1)N1CCCCC1)N(CC)CC 5591597 VDXUFBKZKVXYAJ-UHFFFAOYSA-N 418.994 5.200 0 40 HKAB CCOc1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1Cl 6355425 HTAVMDOZJJHASR-UHFFFAOYSA-N 401.702 5.908 0 40 HKAB Clc1ccccc1-c1nnc(SCc2nc3ccccc3o2)n1C1CCCC1 6880337 ACEDALOXSQAPSG-UHFFFAOYSA-N 410.930 6.147 0 40 HKAB Cc1cccc(-n2c(C)cc(/C=C(/Sc3nc4ccccc4[nH]3)C(=O)O)c2C)c1 7342965 CANUIGDLFSBLBT-FYJGNVAPSA-N 403.507 5.497 0 40 HKAB COc1cc(CNCc2ccc3c(c2)OCO3)cc(Cl)c1OCc1cccs1 7539905 NENXUDKTJOGROF-UHFFFAOYSA-N 417.914 5.008 0 40 HKAB CSc1cccc2sc(N3CCN(C(=O)c4cccc5ccccc45)CC3)nc12 7599412 SMJYGLZDANPOGW-UHFFFAOYSA-N 419.575 5.134 0 40 HKAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8280167 WADCEEHLDKQAND-MRXNPFEDSA-N 406.482 5.715 0 40 HKAB Cc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)C[C@H](c1ccc(Cl)cc1)C3 8559446 RHAOAYNQOVAVLK-MRXNPFEDSA-N 405.860 5.410 0 40 HKAB COc1ccc(-c2c/c(=N\c3ccc(OC)cc3OC)c3cc(Cl)ccc3o2)cc1 8717809 SFWFXOSZCPQRLW-YYADALCUSA-N 421.880 6.011 0 40 HKAB Cc1ccc2nc(-c3ccccc3)c(CN3CCC(c4nc5ccccc5o4)CC3)n2c1 8719838 GSZLGACRIVDLTH-UHFFFAOYSA-N 422.532 5.831 0 40 HKAB C[C@@H](NC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Cl)cc1 8769241 UJGIMBMTZHYBBE-OAHLLOKOSA-N 403.869 5.548 0 40 HKAB c1ccc(CCNc2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CCC4)cc1 9086518 SSAMGVFYANLXMF-UHFFFAOYSA-N 422.557 6.050 0 40 HKAB COc1ccc2nc3c(cc2c1)c(NC(=O)c1ccc(Cl)cc1)nn3CC(C)C 9320634 BSQDCERGXFOLII-UHFFFAOYSA-N 408.889 5.155 0 40 HKAB COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1Cl 9413634 JXIXYTZOUNACQV-UHFFFAOYSA-N 420.852 5.599 0 40 HKAB Cc1cc(C)c(NC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c(Cl)c1 9585461 DHKMZEQPZQHQMJ-UHFFFAOYSA-N 421.880 5.376 0 40 HKAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc3cccnc23)c(OC)c1 11376420 QJSNCHPQBFPOLL-DEOSSOPVSA-N 411.461 5.023 0 40 HKAB CCOP(=O)(OCC)c1nc(Cc2ccc(Cl)cc2)oc1NCc1ccco1 12062613 JQMWFZDLMJTZRK-UHFFFAOYSA-N 424.821 5.015 0 40 HKAB CCOc1ccc(-n2c(SCC(=O)c3ccc(F)c(F)c3)nc3ccccc32)cc1 12538560 VBRHYBUGEBTSAS-UHFFFAOYSA-N 424.472 5.677 0 40 HKAB COCc1c(C(=O)Nc2ccc(Br)c(C)c2)sc2cccc(F)c12 12907129 GZQCQKWVVXMGEW-UHFFFAOYSA-N 408.292 5.510 0 40 HKAB Cc1ccc(OCCn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1 13030783 AYOFJIFLVLXDSF-UHFFFAOYSA-N 414.549 6.300 0 40 HKAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2Cl)cc1 13596371 BTWMFJJATGYEEU-UHFFFAOYSA-N 402.881 5.337 0 40 HKAB CC(=O)c1sc(NC(=O)c2ccc(COc3ccccc3)o2)nc1-c1ccccc1 14657808 PYEKDUZTXWGQQO-UHFFFAOYSA-N 418.474 5.437 0 40 HKAB CC(C)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1Br 14784315 PDNMPFLEDCTGMH-UHFFFAOYSA-N 404.348 5.888 0 40 HKAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1 15613763 ZLILCNXZXZKIPK-UHFFFAOYSA-N 419.575 6.040 0 40 HKAB COc1cccc(C(=O)c2oc3cc(NC(=O)c4ccc(F)cc4)ccc3c2C)c1 15729361 FMMBMNMYUHNQJP-UHFFFAOYSA-N 403.409 5.372 0 40 HKAB biogenic Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccc(NC(=O)c2ccco2)c1 16281999 TXVNWIHZHSKEIM-UHFFFAOYSA-N 419.264 5.165 0 40 HKAB COC(=O)C1[C@H](c2ccccc2)C(C(=O)Oc2ccc(Cl)cc2)[C@@H]1c1ccccc1 18011461 SBVGYZKXYZKRFK-OIRDZHBESA-N 420.892 5.232 0 40 HKAB O=C(CSc1ccncc1)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)on1 19336628 SNFIRFKAANGLFS-FQEVSTJZSA-N 411.502 5.112 0 40 HKAB Cc1nn(C(C)C)c(C)c1CN1CCO[C@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 19693517 HGTYNYUXAXTHKX-DEOSSOPVSA-N 424.976 5.370 0 40 HKAB CCc1cc2c(C)cc(=O)oc2cc1OCc1nnc(Nc2ccc(C)cc2)s1 19923634 WUSRWXVJIRTUNX-UHFFFAOYSA-N 407.495 5.146 0 40 HKAB Clc1ccc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)c(Cl)c1 19927797 DREKUKDRCXFEED-UHFFFAOYSA-N 415.143 5.833 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1 19931849 KCDAPKLVJVHLKM-LJQANCHMSA-N 405.947 5.806 0 40 HKAB Cc1cccc(OCC(=O)Nc2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)c1 20408376 FIVSKMMGHALJHM-UHFFFAOYSA-N 418.537 5.167 0 40 HKAB Cc1ccc(-n2c(SCc3nc(C(C)(C)C)no3)nnc2-c2ccccc2)cc1 24046145 IHGSUIZFSDNLKH-UHFFFAOYSA-N 405.527 5.216 0 40 HKAB CCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1 27744566 WMHUWISAFFSXMJ-QHCPKHFHSA-N 414.505 5.137 0 40 HKAB C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 30731556 GMBQZIIUCVWOCD-PUHUBZITSA-N 416.646 5.794 0 40 HKAB endogenous,in-man CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)n2C2CC2)cc1 32604132 HNHKOQGYHUAZJT-UHFFFAOYSA-N 410.518 5.273 0 40 HKAB O=C(CNC(=O)OCc1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 33534880 QCKDEFFFOYJSCM-UHFFFAOYSA-N 418.537 5.019 0 40 HKAB CCOc1c(Cl)cc(C(=O)Nc2ccc(C)c(C)c2)cc1OCc1ccccc1 33793702 IFKGLCXRWNGRPF-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1c2nc2ccccc2c1C(=O)O 38138641 ACZYWQWUZBYEPB-JDGTWANASA-N 417.549 5.270 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38849571 WVHIKNZVQKTAKO-UHFFFAOYSA-N 411.760 5.806 0 40 HKAB Cc1ccc(-c2noc(CSc3nc(C)c(Cc4ccccc4)c(O)n3)n2)cc1C 44169038 ZVPJQHUFLXUGQY-UHFFFAOYSA-N 418.522 5.041 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 44844747 HALJXWLYZCHTHS-OAHLLOKOSA-N 423.987 5.576 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079083 NWNXMOYUXQOZNE-UHFFFAOYSA-N 422.887 5.633 0 40 HKAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 72355876 QTXWVIVKYKUPBY-JOCHJYFZSA-N 414.896 5.323 0 40 HKAB COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1Cl 96286846 QSIWQYPMGACLSL-UHFFFAOYSA-N 423.299 6.470 0 40 HKAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2cccc(Cl)c2)C12CCCC2 96344409 WQTDPUBHPGFBGD-QFIPXVFZSA-N 424.972 5.309 0 40 HKAB COc1ccc(C(=O)Nc2cccc(/C=C3\C(=O)Nc4ccc(Cl)cc43)c2)cc1 96662856 JQGYISBORYDVNM-NDENLUEZSA-N 404.853 5.094 0 40 HKAB C[C@H]1ON=C(c2ccccc2Cl)[C@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 100281560 ZQLQAXAFJNVCKH-ASSNKEHSSA-N 404.853 5.617 0 40 HKAB CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)C=C[C@H](c4ccccc4)[C@H]3C2=O)cc1 100521123 QVHCBIHNSPQTPJ-POTDNYQPSA-N 423.512 5.328 0 40 HKAB COC(=O)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc1 102648715 LJQNWYNRLKRMBR-QHCPKHFHSA-N 418.493 5.286 0 40 HKAB Cc1cccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1C 113958738 SMPAYYLPIUZKSU-UHFFFAOYSA-N 412.577 6.010 0 40 HKAB CC(C)Oc1ccc(CNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 216476875 ANKVVNBTKICLQH-XQNSMLJCSA-N 405.925 5.984 0 40 HKAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OC 222661393 PLWZYKJNRRUCJQ-MDASCCDHSA-N 417.962 5.122 0 40 HKAB C[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc2c(c1)CCC2 223208164 SSKIUXGNEJEULP-KRWDZBQOSA-N 405.925 5.899 0 40 HKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223352648 GEAHUJGXCIALOD-KKSFZXQISA-N 403.950 5.815 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1C(C)C 223392243 ARASZWWUNQLRTR-HNNXBMFYSA-N 409.448 5.402 0 40 HKAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(CN2CCCCCC2)cc1 223629279 XTCIFMXTYDFULW-UHFFFAOYSA-N 402.538 5.025 0 40 HKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1C1CC1 224457898 VTWGIHJFDJGYOM-FGZHOGPDSA-N 422.985 5.665 0 40 HKAB Cc1cccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@@H](C)C(=O)NC2CCCCC2)c1 224722286 GALKWWJCLVUJMV-QFIPXVFZSA-N 420.597 5.021 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)[C@H](C)Sc3ccc(Cl)cc3)ccc21 225131328 UXVAQGOWVPERQI-LBPRGKRZSA-N 406.960 5.417 0 40 HKAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 225747187 JKTASBODQPAUQA-UHFFFAOYSA-N 418.880 5.394 0 40 HKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(C(=O)N(C)C)cc2)c2ccccc2)c(C)c1 225769451 SXPSSYCPSXFNIM-QHCPKHFHSA-N 417.578 5.081 0 40 HKAB Cc1cccc(Nc2ccc([C@@H]3CCCCN3Cc3ccc4nccnc4c3)cn2)n1 257209597 BQZPHIVXDSHRAQ-QHCPKHFHSA-N 410.525 5.199 0 40 HKAB CC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C(c4ccccc4)c4ccccc4)OCC[C@@]31C2 257282035 OSASLMOYXAWAMF-NMKWPLBGSA-N 403.566 5.165 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2ccccc2Oc2ccccc2)cc1OC 408554162 CBEFQMURVLJQPR-UHFFFAOYSA-N 411.885 6.182 0 40 HKAB COc1ccc(CCNC(=S)c2ccccc2OCc2ccccc2Cl)cc1 408575964 PAMHSGUYWSQGQX-UHFFFAOYSA-N 411.954 5.435 0 40 HKAB Cc1ccc(-c2csc(NC(=O)Cn3nc(-c4ccc(C)cc4)oc3=S)n2)cc1 409157605 RHKBBLGVKDCFCO-UHFFFAOYSA-N 422.535 5.252 0 40 HKAB Clc1ccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 409175719 AYSSYKDJFUUKDB-UHFFFAOYSA-N 408.328 7.338 0 40 HKAB O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc2ccccc2c1 629275 RTAWDVVDBLQHKK-UHFFFAOYSA-N 405.504 5.017 0 40 HKAB CCN(Cc1ccccc1)C(=O)c1ccc(C(=O)N(CC)Cc2ccccc2)cc1 663207 XKIKZWDVZRCXHB-UHFFFAOYSA-N 400.522 5.011 0 40 HKAB Cc1ccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(C)c1 904210 DIYAKDAYFGNFOT-UHFFFAOYSA-N 405.548 5.706 0 40 HKAB FC(F)(F)c1cnc(-c2cnc3c(-c4ccc(Cl)cc4)cnn3c2)c(Cl)c1 1391606 RRHNECFQPDUOPU-UHFFFAOYSA-N 409.198 5.784 0 40 HKAB O=P(Nc1ccccc1F)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 1840477 AZYJVEZOCACPGE-UHFFFAOYSA-N 412.184 6.811 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C)c3cc(C)cc(C)c3n2)cc1 2079772 LUJXQAJZXPPVBW-UHFFFAOYSA-N 410.517 6.396 0 40 HKAB Cc1cc(-c2ccccc2)nc2oc3c(SCc4ccc(Cl)cc4)ncnc3c12 2180871 RHSXSTWNHGANPA-UHFFFAOYSA-N 417.921 6.692 0 40 HKAB CC(C)Cc1nc2sc3c(SCCc4ccccc4)ncnc3c2c2c1CCC2 2215239 DNWAKXVQSNLHDE-UHFFFAOYSA-N 419.619 6.262 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)c(C)c2)cc1 2270527 QDJLSNLGKDNZRB-UHFFFAOYSA-N 418.522 5.099 0 40 HKAB Clc1ccc(CSc2nnc(COc3ccccc3Cl)o2)c(Cl)c1 3274826 STUKEPJRCFDNPI-UHFFFAOYSA-N 401.702 5.901 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]5CC=CC[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 4025005 XGZQDBRFMPJPBO-DUAVJIPNSA-N 410.598 6.032 0 40 HKAB biogenic Cc1ccc(Cn2cc(SCC(=O)NCCc3ccccc3)c3ccccc32)cc1 4060973 LQNLURQQWFORQF-UHFFFAOYSA-N 414.574 5.449 0 40 HKAB COc1ccc(NC2(c3nnnn3-c3ccccc3C)CCC(C(C)(C)C)CC2)cc1 4560430 CLGJILBSNGNBNC-UHFFFAOYSA-N 419.573 5.523 0 40 HKAB COc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3ccc(F)cc3)C[C@H]21 4715844 ANUNKTQPZZSPEX-OFNKIYASSA-N 408.860 5.730 0 40 HKAB Cc1ccccc1[C@@H]1CC(=O)c2cnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C1 4736632 MJXHSIRLYKWDGL-KRWDZBQOSA-N 401.897 5.579 0 40 HKAB C[C@@H](CCC(=O)c1ccccc1)[C@H]1CC[C@H]2[C@H]3CC[C@H](CCO)C[C@@H]3C[C@@H](O)[C@@]21C 4758468 XABOCDPPAPNLAE-NDGYWKRQSA-N 412.614 5.498 0 40 HKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@@H](c2ccc3ncccc3c2)N1 5072166 QRGUYBWKTFREMJ-XMMPIXPASA-N 417.472 5.034 0 40 HKAB O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(OC(F)(F)F)cc1 5704873 OELMOPPVQSWYOZ-UHFFFAOYSA-N 400.331 5.090 0 40 HKAB Cc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 5705619 PIUVXYHLXIHZSH-UHFFFAOYSA-N 414.436 5.145 0 40 HKAB CCCCCC1CCC(c2ccc(NC(=O)N3CCc4ccccc4C3)cc2)CC1 5860131 RACGDDBTGSOIDA-UHFFFAOYSA-N 404.598 7.131 0 40 HKAB COc1ccccc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 5960503 ZHNPLESUXMAKKL-UHFFFAOYSA-N 400.434 5.254 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(N(CC)CC)cc2C)cc(OCC)c1OCC 6026364 AGBSEPVZAZSJDM-UHFFFAOYSA-N 414.546 5.290 0 40 HKAB O=S(=O)(Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1)c1ccc(Cl)cc1 6362281 UTGDRWYKQNOECK-UHFFFAOYSA-N 401.959 5.681 0 40 HKAB C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1ccc(Cl)cc1 6543492 WCYJUWVQGVYMMV-LLVKDONJSA-N 407.973 5.436 0 40 HKAB CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 6569686 YXKQATYEEJFOEZ-UHFFFAOYSA-N 421.522 5.039 0 40 HKAB CSc1ccccc1C(=O)Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 8560168 VVUGUJQHQAXTGA-UHFFFAOYSA-N 405.910 5.924 0 40 HKAB O=C(NCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 8735811 UVEKLMIODBYSLV-UHFFFAOYSA-N 424.331 5.364 0 40 HKAB COc1cccc([C@@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2c2ccc(F)cc2)c1 9373750 HXQRDCMCEMMBAS-XMMPIXPASA-N 413.452 5.283 0 40 HKAB Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(F)c2)n1 9580881 UOVVITBWULFROB-HXUWFJFHSA-N 420.827 5.039 0 40 HKAB C[C@H]1CCc2c(sc(NC(=O)c3sc4cc(F)ccc4c3Cl)c2C(N)=O)C1 9671542 HNJMKOWDYGGUKF-QMMMGPOBSA-N 422.934 5.231 0 40 HKAB Cc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(Cl)cc23)cc1 9675993 RTQPWLKIUNTSLN-UHFFFAOYSA-N 418.327 7.164 0 40 HKAB Cc1csc(SCc2ccc(C(=O)N[C@H](C)c3nc4ccccc4[nH]3)cc2)n1 12538539 AZVHKOGAMRNVTD-CQSZACIVSA-N 408.552 5.111 0 40 HKAB CC(C)c1cc(C(=O)N(C)Cc2nc3ccccc3s2)c2cnn(C(C)C)c2n1 12788060 XATASRPXZRFPCP-UHFFFAOYSA-N 407.543 5.018 0 40 HKAB CCOc1ccc(-c2nc(COc3cc(Cl)cc(Cl)c3)cs2)cc1OC 13058659 YVDLCUHQYSWMAL-UHFFFAOYSA-N 410.322 6.103 0 40 HKAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1Oc1ccccc1 15316947 KKJIVRWTQNEJGM-HNNXBMFYSA-N 412.283 5.647 0 40 HKAB Cc1nc2cc(NC(=O)c3cc4c(C)nn(Cc5ccc(F)cc5)c4s3)ccc2o1 15574631 ZXLAANHXPSHCEX-UHFFFAOYSA-N 420.469 5.296 0 40 HKAB Fc1ccc(CCNCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 16449693 AEACHTJKOZXIHY-UHFFFAOYSA-N 404.312 6.044 0 40 HKAB CCc1ccc(-c2cc3c(SCC(=O)Nc4cc(F)ccc4C)nccn3n2)cc1 16841658 NRYGQXAFYCYFSP-UHFFFAOYSA-N 420.513 5.137 0 40 HKAB Fc1ccc(Nc2nc(NC3CCCCCC3)nc3c2cnn3-c2ccccc2)cc1 17200417 MLBNMIMBCBPLNM-UHFFFAOYSA-N 416.504 5.833 0 40 HKAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)Cc2ccc(C)cc2)n1 19525535 KEIJTGUYRPLOGX-HSZRJFAPSA-N 414.553 5.096 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1Cl 20142424 XAQLJAYDIUIBIN-UHFFFAOYSA-N 406.265 5.397 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(O)=Nc2cc(-c3ccccc3)nn21 20726723 ZVUCJAIRYYTHDD-INIZCTEOSA-N 401.253 5.028 0 40 HKAB COc1cccc2c1ncc1c(-c3ccc(C)cc3)nn(-c3ccc(C)c(Cl)c3)c12 21017356 MJUPPPRZHNUYEU-UHFFFAOYSA-N 413.908 6.520 0 40 HKAB CCN(C(=O)c1cccnc1SCc1c(C)noc1C)c1nc2ccccc2s1 23042171 IRXAMRBWJWJUAI-UHFFFAOYSA-N 424.551 5.255 0 40 HKAB CCCCc1noc(CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)n1 23055291 UWPXFXGVAXDBDP-UHFFFAOYSA-N 405.527 5.261 0 40 HKAB CCCC(=O)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccccc4)nn13)CCCC2 27526401 OHBUPXYTAUZIRI-UHFFFAOYSA-N 417.940 6.442 0 40 HKAB CCCCOc1ccc(-c2nonc2NC(=O)c2oc3c(C)c(C)ccc3c2C)cc1 27663238 RVZAQXCOTXGQJE-UHFFFAOYSA-N 419.481 5.839 0 40 HKAB O=C(NCCSCc1cccc(Cl)c1)c1ccc(CN2CCCCCC2)cc1 38848504 NZFFYGIZEHTDKG-UHFFFAOYSA-N 417.018 5.379 0 40 HKAB CSc1nc(Nc2ccc3[nH]nc(-c4cccs4)c3c2)cc(-c2ccccc2)n1 41181222 XGSGAEQMSIFDBY-UHFFFAOYSA-N 415.547 6.214 0 40 HKAB CSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(OC(F)F)cc1 44088266 MHMIGZZOMIQCEC-UHFFFAOYSA-N 411.271 5.625 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1OCC 44902949 ZIHJHEMZQLCNHY-WZONZLPQSA-N 421.537 5.672 0 40 HKAB COc1ccc(C(=O)N2C(=S)C(c3cccc(C)c3)=NC23CCCCCC3)cc1 45932870 YYLMBOLYLVLZHQ-UHFFFAOYSA-N 406.551 5.327 0 40 HKAB Cc1cc(C)cc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)c1 46022439 PZUSDAUXCJQHBN-UHFFFAOYSA-N 411.596 5.598 0 40 HKAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(Cc1ccc(Cl)c(Cl)c1)CO2 57105810 PUGNUXOYMXIMJE-UHFFFAOYSA-N 416.304 5.249 0 40 HKAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(Cl)c(Cl)c1)CO3 57122069 GFYYSBVFVBKNOC-UHFFFAOYSA-N 418.320 5.713 0 40 HKAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC(Cn2ccnc2-c2ccccc2)CC1 62130216 VPPQVODYOVYLCT-UHFFFAOYSA-N 413.443 5.121 0 40 HKAB O=C1C[C@@H](c2ccccc2)N(C(=O)CSc2ccccc2Cl)c2ccccc2N1 72307951 HGEYEIHUVLGGAC-FQEVSTJZSA-N 422.937 5.549 0 40 HKAB FC(F)(F)c1ccc(Cc2cccc([C@H]3CCCN(C4CCOCC4)C3)n2)cc1 72350107 LBHPIHNIAWWQDH-SFHVURJKSA-N 404.476 5.050 0 40 HKAB COc1cccc(C(=O)N2CCC[C@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)c1 72353807 RWJXTCJSTBZQMW-QFIPXVFZSA-N 418.512 5.148 0 40 HKAB Brc1ccc2nc(-c3cccc(I)c3)sc2c1 73638910 ZZTXUKVAJLPHQX-UHFFFAOYSA-N 416.081 5.330 0 40 HKAB O=C(c1cccc(Br)c1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1F 89827800 NJYIDFWKCOJNQZ-OAQYLSRUSA-N 423.285 5.580 0 40 HKAB O=C(Nc1ccccc1Cc1nc(C2CC2)no1)C(c1ccccc1)c1ccccc1 96119594 TXVWKYUTBIMGGV-UHFFFAOYSA-N 409.489 5.308 0 40 HKAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NCCC(c1ccccc1)c1ccccc1)[C@H]2C(=O)O 100684362 DHJHVSUPQKWXTJ-HFOXQMJASA-N 417.549 5.018 0 40 HKAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@@H](C)[C@H]4[C@H]5C[C@H]6C[C@@H]5CC[C@@H]4C6)[C@H]3C=C12 100746556 QYESPJZMQFTGIX-PYSNRRQESA-N 411.630 5.351 0 40 HKAB Fc1ccccc1COc1ccc(Cl)cc1CNc1ccc(Cl)cc1Cl 106971920 RZLKTASKPUHAIU-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 222450060 KFLOUBLBVFHAIB-RUZDIDTESA-N 422.613 5.383 0 40 HKAB Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)cc2)cc1 222605457 QZBUKWUQEYPNKL-IMRHEYAYSA-N 417.603 6.131 0 40 HKAB Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 222850761 DATLIQAAIZEQOZ-NHCUHLMSSA-N 411.958 5.684 0 40 HKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(C)cc2)o1 222869097 WRVRTDGSIBRZNM-RTWAWAEBSA-N 409.580 5.517 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1cccc2ccccc12 223571267 YYZKIBSDAARXAK-QHCPKHFHSA-N 405.538 5.490 0 40 HKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CC)c2C)cc1 223793498 MCLCLLHASUDQDO-PKTZIBPZSA-N 420.582 5.096 0 40 HKAB Cc1cccc(OCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1C 223951255 ZMIGNCAJKWQLQG-UHFFFAOYSA-N 409.913 5.345 0 40 HKAB COc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccc(-c2ccccc2)cc1 224220561 BEFFHHPVGVRUKW-UHFFFAOYSA-N 415.533 5.813 0 40 HKAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1 224523920 DZENVMPNSPKVTR-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB S=C(NCCSC1CCCCC1)Nc1ccc(Br)c(Cl)c1 225357962 KBHIIKILYXBPGE-UHFFFAOYSA-N 407.830 5.455 0 40 HKAB CCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCC[C@@H](C)C1 225716458 BZKKHYFAPQQPEG-BWKNWUBXSA-N 416.606 5.255 0 40 HKAB CCOc1ccc([C@H](C)NC(=S)Nc2cccc(C(F)(F)F)c2)cc1OCC 225749685 IVRGEGAROIIPCT-ZDUSSCGKSA-N 412.477 5.550 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C(=O)OCC 225758614 UKOKYUGRUBTFTJ-UHFFFAOYSA-N 423.553 5.801 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c2cccnc12 225869880 XDZFBEPCLWDGLU-UHFFFAOYSA-N 422.956 6.518 0 40 HKAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CC[C@H](CNC(=O)CC3CCCCC3)CC2)n1 257220257 DKEVOVNQDVDKHT-MEMLXQNLSA-N 424.589 5.417 0 40 HKAB CC(C)Cn1nc(-c2cc(F)c(F)cc2OCC(=O)O)cc1-c1ccc(Cl)cc1 257294967 QWLOACHDJJXBOX-UHFFFAOYSA-N 420.843 5.268 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(CSc2ccccc2)cc1 408562891 GMORLSURIGRHAR-UHFFFAOYSA-N 411.526 7.024 0 40 HKAB Fc1cccc(Cl)c1COc1ccc(Cl)cc1C(=S)NC[C@@H]1CCCO1 408573305 JTDKNSKDFQFWEP-ZDUSSCGKSA-N 414.329 5.156 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)cc1C 408695299 PRHDEDRAAHWUQR-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB COc1cccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(C)c3C)n2)c1 408699427 UESCDMAUZZVWOR-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 408917873 CFJNYPHLTGIGOE-JQBYJRRVSA-N 420.295 5.390 0 40 HKAB COC(=O)c1cc(NC(=O)CSCc2c(Cl)cccc2Cl)ccc1Cl 409262921 GGLVJMNRBZKIFZ-UHFFFAOYSA-N 418.729 5.305 0 40 HKAB O=C(COc1ccc(CNc2ccc(F)cc2)cc1Cl)Nc1ccc(Cl)cc1 409378816 RZKBLJHUMAEVDG-UHFFFAOYSA-N 419.283 5.762 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(Cl)c2C)cc1 409412195 TVIQJAZKAHPKJG-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)C1(c2ccc(Cl)cc2)CCCC1 575618067 YRDXPWXXUWRPNT-UHFFFAOYSA-N 423.891 5.144 0 40 HKAB Cc1nc(CN2CCC[C@@H]2c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)co1 585268745 BXQDUZCJLKGENQ-HXUWFJFHSA-N 424.570 5.326 0 40 HKAB O=C(NC(=S)Nc1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1 675030652 CPVHJNGSMWRPOK-UHFFFAOYSA-N 412.514 5.546 0 40 HKAB Cc1cccn2cc(-c3cccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c3)nc12 629430 KMUUMRFGYDGPTH-UHFFFAOYSA-N 419.550 5.408 0 40 HKAB CCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 724341 LXPVWVYTNCQLTF-UHFFFAOYSA-N 408.310 5.415 0 40 HKAB Cc1cc(C)cc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)c1 919472 MFTCHNAHOWVLKL-RHSMWYFYSA-N 404.392 5.006 0 40 HKAB COc1cc([C@@H]2CC(c3ccccc3O)=Nc3ccccc3S2)cc(OC)c1OC 984780 DPVWYVFWXZNYKJ-QHCPKHFHSA-N 421.518 5.776 0 40 HKAB Cc1cc(C)c(NC(=O)NC2(C(Cl)(Cl)Cl)Oc3ccccc3O2)c(C)c1 1050531 XRWZSQJPVWGIME-UHFFFAOYSA-N 415.704 5.229 0 40 HKAB Cc1cc(C)c2cc(CN(Cc3ccccc3Cl)C(=O)c3ccco3)c(=O)[nH]c2c1 1366404 GHFLVDZRVKXMKE-UHFFFAOYSA-N 420.896 5.234 0 40 HKAB Cc1cccc2cc(CN(C(=O)Nc3cccc(Cl)c3)C3CCCC3)c(=O)[nH]c12 1378154 GAOJLKWAQLKLGT-UHFFFAOYSA-N 409.917 5.467 0 40 HKAB Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1Cc1c(F)cccc1Cl 1405181 OHTBVAUXTSBIQQ-UHFFFAOYSA-N 410.247 5.369 0 40 HKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2cc(C)cc(C)c2)C4)cc1 2125232 QWQKRZBQRNGDKN-UHFFFAOYSA-N 413.473 5.442 0 40 HKAB biogenic COc1ccc(/N=c2\cc(-c3ccc(OC)cc3)cc(OC)c3c(C)oc(C)c23)cc1 2146539 PHJWZGPQDDWLFI-SLEBQGDGSA-N 415.489 5.975 0 40 HKAB biogenic Cc1cccc2cc(-c3nnc4c(Cl)nc5ccc(Cl)cc5n34)c(Cl)nc12 2150564 BGONVIHDDCQZIB-UHFFFAOYSA-N 414.683 5.761 0 40 HKAB COc1ccccc1CCC(=O)N(c1nc2ccccc2s1)c1c(C)cccc1C 2639347 WBOYSWZVJKLMGF-UHFFFAOYSA-N 416.546 6.219 0 40 HKAB COc1ccccc1-c1cc(-c2ccccc2OC)n(Cc2ccc(Cl)cc2)n1 2733501 UCWDSEQVMNAZFG-UHFFFAOYSA-N 404.897 5.936 0 40 HKAB CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3Oc3ccccc3)sc2c1 4070002 TXKYFBGNHFLYTF-UHFFFAOYSA-N 403.463 5.299 0 40 HKAB Cc1cc(C)c(-c2nnc(NC(=O)c3ccc(Cc4ccccc4)cc3)s2)c(C)c1 4079132 BSCPVAHYNLXXLY-UHFFFAOYSA-N 413.546 5.973 0 40 HKAB CCOc1ccc(-[n+]2cc(-c3ccc(Br)cc3)n3c2CCCCC3)cc1 4280270 LECFRPLCTXBWGY-UHFFFAOYSA-N 412.351 5.319 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccc(Cl)cc1)N1N=C(c3ccccc3)C[C@H]21 4311915 MMERVNWSGQXRKE-ZJSXRUAMSA-N 404.897 5.981 0 40 HKAB CCN(CC)CCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 4834727 PNEJPXCBDXHUIZ-UHFFFAOYSA-N 411.619 5.071 0 40 HKAB CC(C)Oc1cccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)c1 4866665 GVYKRLDMELJJER-UHFFFAOYSA-N 406.869 6.188 0 40 HKAB Cc1ccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccc(C)cc3)[nH]2)cc1 4927698 XCHPCIMLZQSARS-UHFFFAOYSA-N 417.534 5.362 0 40 HKAB CC(C)c1ccc(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1 5165444 AXZAUOIBRFKPIV-UHFFFAOYSA-N 414.530 6.978 0 40 HKAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)c1c[nH]c2ccccc12 5332625 LWKBGSOZFLPXFN-CYBMUJFWSA-N 406.486 5.264 0 40 HKAB CC(C)c1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1 5977305 SUGBCNPKDSTDPO-UHFFFAOYSA-N 415.990 5.581 0 40 HKAB CSc1cccc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)c1 6510511 CGIDLPNZYKCHNY-UHFFFAOYSA-N 402.928 5.628 0 40 HKAB O=C(Nc1c(-c2cc(=O)oc3ccc(Cl)cc23)oc2ccccc12)c1ccco1 6662525 ANLMVMGJMGHZRX-UHFFFAOYSA-N 405.793 5.705 0 40 HKAB biogenic CCOc1ccc(NC(=O)CSC2=NC3(CCCCC3)Nc3ccccc32)cc1 8023461 IFVBESYNLSAKEJ-UHFFFAOYSA-N 409.555 5.290 0 40 HKAB Cc1ccc(COc2ccccc2C(=S)N2CCC(Cc3ccccc3)CC2)cc1 9188330 ALWKEZLEIDRLBD-UHFFFAOYSA-N 415.602 6.204 0 40 HKAB Fc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)n3c(nc4ccccc43)N2)cc1 9291355 QNVLQJZPGKNICT-CTNGQTDRSA-N 422.301 6.084 0 40 HKAB COc1cccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2cccc(C)c2)c1 9327753 SVPSGLVMRYCUNW-UHFFFAOYSA-N 419.864 5.683 0 40 HKAB COc1cccc2cc(-c3csc(NC(=O)c4cccc(SC(C)C)c4)n3)oc12 10749167 RLRPBAVCLNNWKM-UHFFFAOYSA-N 424.547 6.318 0 40 HKAB CCOc1cccc2cc(-c3csc(NC(=O)c4cc5ccccc5o4)n3)oc12 10750960 ZFAOVNFQTMEROA-UHFFFAOYSA-N 404.447 5.954 0 40 HKAB CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN23)cc1 12193482 SDAMCNIMHRYSMR-VWNXMTODSA-N 404.897 5.981 0 40 HKAB Clc1cccc(-c2nc(-c3cccc4ccccc34)[nH]c2-c2ccccc2)c1Cl 13284540 GPRFZQZEWNZXKX-UHFFFAOYSA-N 415.323 7.871 0 40 HKAB Cc1ccc(CSc2ncc(Cl)c(C(=O)Nc3ccc(Cl)cc3)n2)cc1 13624924 WJKHFEFHFDXLCE-UHFFFAOYSA-N 404.322 5.636 0 40 HKAB Cc1cccc(C)c1NC(=O)CNc1ncnc2cc(-c3ccc(F)cc3)sc12 14115314 RQYRIIHHMBAOAK-UHFFFAOYSA-N 406.486 5.165 0 40 HKAB O=C1CS[C@@H](c2ccccc2)N1c1nc(-c2ccccc2)c(-c2ccccc2)s1 15085252 RIMHCNCDJQRPOU-QHCPKHFHSA-N 414.555 6.256 0 40 HKAB COc1cccc2sc(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)nc12 16960787 QHYQRAZGCQPKSJ-UHFFFAOYSA-N 423.544 5.895 0 40 HKAB CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)C(C)(C)C)ccc3O)nc2c1 17088956 UIDLFFILCHFZNK-UHFFFAOYSA-N 411.527 5.183 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1Cl 17092519 OVIQEIIXMDRHRA-UHFFFAOYSA-N 420.925 5.319 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c(C)c1 17093381 YQFXMATWPIUMFW-UHFFFAOYSA-N 422.937 6.251 0 40 HKAB Cc1cc(C)c2c(CC(=O)N3CCC[C@@H]3c3nnc(-c4ccsc4)o3)coc2c1 19568427 GJSGFBFCBHYTHW-QGZVFWFLSA-N 407.495 5.067 0 40 HKAB CCCc1cc(C(=O)N2CCC(c3cc(-c4cccc(OC)c4)cc(C)n3)CC2)no1 19690626 PWNPRJYSCKBXIK-UHFFFAOYSA-N 419.525 5.026 0 40 HKAB CCCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CCc1ccccc1F)C3 20412296 XADJUYUIXFZULE-UHFFFAOYSA-N 415.892 5.323 0 40 HKAB CC(=O)N1C(=N)S/C(=C/c2cc3ccc(C)cc3nc2Sc2ccccc2)C1=O 21581247 SUADIGOEMVNQSR-PTOVGEMASA-N 419.531 5.092 0 40 HKAB CCc1cc(-c2nc(-c3ccccc3)ncc2-c2csc(C)n2)c(O)cc1OC 28464905 NUARPZVIADMUHB-UHFFFAOYSA-N 403.507 5.519 0 40 HKAB CCOc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 28579269 CTLSKNRGIAHJGM-UHFFFAOYSA-N 401.915 5.134 0 40 HKAB FC(F)(F)c1cc(-c2cccs2)nc2c1c(-c1ccccc1)nn2-c1ccccc1 35171381 PXKCYNPHJKBIBE-UHFFFAOYSA-N 421.447 6.835 0 40 HKAB Cc1cc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)ccc1Br 39772491 IBQMBHDGRXUOKE-UHFFFAOYSA-N 421.766 5.262 0 40 HKAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 44916552 MXSYDLDYMJKZKJ-UHFFFAOYSA-N 408.586 5.212 0 40 HKAB COc1ccc(CC2=CCC[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 51330394 CTZHBEXIMJUKEA-IXCJQBJRSA-N 424.544 6.200 0 40 HKAB COc1cc([C@H](C)NC(=O)c2cc3ccccc3s2)ccc1OCc1ccncc1 59316206 PHTQBMFBBXAFMA-INIZCTEOSA-N 418.518 5.375 0 40 HKAB CC(=O)N1CCc2cc(-c3nc(-c4cccc(C(F)(F)F)c4)sc3C)ccc21 63630860 FVHSLKPQTPBOHY-UHFFFAOYSA-N 402.441 5.713 0 40 HKAB COc1ccccc1Cn1c(SCc2ccc(F)cc2F)nc2ccccc2c1=O 67258460 UHSQWVNNAQRYTC-UHFFFAOYSA-N 424.472 5.024 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C)c4C)nccn3n2)cc1C 67289944 WUIPDXAKWPQRJH-UHFFFAOYSA-N 416.550 5.361 0 40 HKAB Cc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)c2ccc(Br)o2)c1 89669347 ZONZUHFUPCQJKZ-HNNXBMFYSA-N 415.312 5.404 0 40 HKAB C[C@@H]1CCN(C(=O)c2cnc3ccccc3n2)c2cc(C(F)(F)F)ccc2S1 89930013 PZUZTCOERUUTPY-GFCCVEGCSA-N 403.429 5.180 0 40 HKAB CC(C)(C)OC(=O)N1CCC(Nc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 90558319 LOFWFAVUZLJDCQ-UHFFFAOYSA-N 424.520 5.035 0 40 HKAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NC5CCCC5)cc34)cs2)cc1 96154485 WDDVRSYFRXNJIK-UHFFFAOYSA-N 403.507 5.599 0 40 HKAB CC[C@@H](NC(=O)c1ccc(CN2CCCc3ccccc32)cc1)c1ccc(OC)cc1 216416075 YFMBNAACLAFQFE-RUZDIDTESA-N 414.549 5.529 0 40 HKAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 216484907 SKZXUSBXWHPCGA-MRXNPFEDSA-N 413.876 5.142 0 40 HKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 222872138 OJVUBAWASZSPKD-UXHICEINSA-N 401.934 5.696 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1C(C)C 223330712 JILBQJOAYNNCKC-FQEVSTJZSA-N 417.549 6.197 0 40 HKAB CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 223964880 RYRCIGKMJCDIIA-UHFFFAOYSA-N 412.486 5.002 0 40 HKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 224270821 ZJODWTSKBXLCHQ-RUZDIDTESA-N 420.597 5.021 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCC(C)(C)OC)c(Cl)c2)CCCCCC1 225712291 DCZKJYXNVMFEQA-UHFFFAOYSA-N 411.970 5.602 0 40 HKAB O=C(O)CCc1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 226342396 SSRZEUAVSXWWPO-UHFFFAOYSA-N 419.702 5.852 0 40 HKAB CC(C)[C@@H](C)/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 299888339 FXWAFDROLPRQFL-MNITZQOCSA-N 414.674 6.382 0 40 HKAB CCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1Cl 408598203 XXXFEBUXYYKTPS-UHFFFAOYSA-N 414.232 5.212 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)cc1Cl 408629050 KAGINNIEIKSDQP-UHFFFAOYSA-N 403.865 5.983 0 40 HKAB COc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)cc1 408751251 YHXHFICPDIYSQG-UHFFFAOYSA-N 420.559 6.158 0 40 HKAB CCOc1cc(CNc2cc(C)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1 409260479 QTHAHYAUNAGNAG-UHFFFAOYSA-N 418.537 5.640 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 409382888 XCRKGZQBMGXWCU-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB Cc1nc(O)cc(-c2ccc(NC(=O)N[C@H]3CCC(C)(C)c4ccccc43)cc2)n1 521169759 XYHPVSFRCSIPBF-FQEVSTJZSA-N 402.498 5.092 0 40 HKAB C=C1[C](O)C[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@@H](O)C1CC1 1560406228 NIOJURYIEIYJOP-HCGJVKPASA-N 411.606 5.634 0 40 HKAB CCCC[C@H](CC)COC(=O)c1cc2c(Br)sc(C=O)c2s1 1776011038 STLQPFBMSVWYAZ-JTQLQIEISA-N 403.363 5.911 0 40 HKAB COCc1cc(C)nc2sc(C(=O)c3ccccc3)c(NC(=O)c3ccccc3)c12 706556 MVSNDOCEOGLHPD-UHFFFAOYSA-N 416.502 5.234 0 40 HKAB CC[C@H](C)OC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 957134 FKSWYWNYTCUEEX-DLBZAZTESA-N 410.466 5.311 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)cc3)c3cc(C)ccc3n2)cc1 993089 SFZRAIYRPISIDR-UHFFFAOYSA-N 413.448 5.697 0 40 HKAB COc1ccc([C@@H](CCN(C[C@@H]2CCOC(C)(C)C2)C(C)=O)c2ccccc2)cc1 1322295 XWVVJKVSQBGTHS-BWKNWUBXSA-N 409.570 5.271 0 40 HKAB biogenic CCOc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)C3CCC3)cc2c1 1367884 JXAJRWMRRGRVFO-UHFFFAOYSA-N 414.958 5.677 0 40 HKAB Cc1ccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3cccnc3)s2)cc1C 1465681 DWDXOONSQNRDDQ-UHFFFAOYSA-N 400.507 5.818 0 40 HKAB C1=C(c2ccccc2)[C@H](c2ccc(OCCN3CCCCC3)cc2)Oc2ccccc21 1905268 DBHGMZQRJDUFGS-NDEPHWFRSA-N 411.545 6.226 0 40 HKAB Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccccc2F)n1 2234981 KBYSZERCYUWTNG-JOCHJYFZSA-N 414.436 5.002 0 40 HKAB OCCCNc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccco1 2250888 OHSRWIAQIUKMHH-UHFFFAOYSA-N 424.504 5.201 0 40 HKAB CCCCCCOC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 2391590 ZTDPVNZLNCQOJM-UHFFFAOYSA-N 420.557 5.794 0 40 HKAB Cc1cc(C(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)c(C)n1C 2619745 YTRQFUOYMOQHLG-UHFFFAOYSA-N 405.498 5.366 0 40 HKAB Clc1ccc(-c2nnc(SCc3ccccc3Cl)n2C[C@@H]2CCCO2)cc1 2642845 SSQROWOEKZMIRV-KRWDZBQOSA-N 420.365 5.723 0 40 HKAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1cccc(Oc2ccccc2)c1 3311371 VCBANZNEWRYASW-UHFFFAOYSA-N 415.367 5.293 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)c1cc(-c2cccs2)nc2ccccc12 3456045 RQMRIVBRZXAXTQ-UHFFFAOYSA-N 406.510 6.883 0 40 HKAB Cc1ccccc1-n1c(/C=C/c2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O 4154846 QUWPQJQBSUKTQU-ACCUITESSA-N 407.300 6.171 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(Cl)cc1)[C@@H]2O 4534902 FDGCFEWJEHAVJT-BONBVDDQSA-N 413.001 6.018 0 40 HKAB CC(C)(C)c1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 4689747 HKHUCUIQFSXRHZ-HSZRJFAPSA-N 401.506 5.597 0 40 HKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 4719205 GXWZXIOMFOMOLY-UHFFFAOYSA-N 404.894 5.709 0 40 HKAB Cc1occc1-c1nnc(S[C@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)n1-c1ccccc1 4843397 HXTAHZCYGKCMSJ-XYJFISCASA-N 424.570 5.106 0 40 HKAB CCOc1ccc2ncc3c(-c4ccc(OC)cc4)nn(-c4ccc(F)cc4)c3c2c1 4970140 XYGIKAYTMCNQMC-UHFFFAOYSA-N 413.452 5.787 0 40 HKAB CC(C)(C)c1ccc(-c2cs/c(=N\c3ccccc3)n2C(=O)c2ccccc2)cc1 5243099 QJQKJAYORRNBNI-RFBIWTDZSA-N 412.558 6.435 0 40 HKAB CC(=O)N1c2ccccc2[C@@H](N(C(=O)/C=C/c2ccccc2)c2ccccc2)C[C@H]1C 5258907 DCZDXBPFAUVTBW-FFWIPWSWSA-N 410.517 5.619 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3C)c3ccccc3n2)cc1 5889357 LETIOISXLXCRTC-UHFFFAOYSA-N 410.473 5.314 0 40 HKAB CC1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2Cl)CC1 6202771 CKYHAOQVMCYGQE-UHFFFAOYSA-N 413.348 6.635 0 40 HKAB CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 6352287 FOUGBMYJOPNLRL-UHFFFAOYSA-N 422.550 5.227 0 40 HKAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)C[C@H](C)c1ccccc1 6455260 SWWUCIZVPQLSHY-KRWDZBQOSA-N 418.493 5.088 0 40 HKAB CN(Cc1cccc(F)c1)Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 7004332 QOJWLXRRTIODTC-UHFFFAOYSA-N 413.905 5.076 0 40 HKAB C[C@H](N[C@@H](C)c1cccs1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 7664195 XDSZRYRRMMHLAM-HOTGVXAUSA-N 421.591 5.626 0 40 HKAB Cc1cccc(NC(=O)Cc2nc(-c3cc(C)n(-c4cc(C)on4)c3C)cs2)c1 7845630 SBLZMMQZLXELCC-UHFFFAOYSA-N 406.511 5.004 0 40 HKAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 8193679 OVIOAEOBQRUWMQ-LJQANCHMSA-N 400.309 5.369 0 40 HKAB Cc1ccc2oc(-c3cccc(NC(=O)c4cccc5c(Cl)cccc45)c3)nc2c1 8320533 WLTDQLPHMDRWLP-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)c1 9190298 BWQXKMHWBNFAJO-UHFFFAOYSA-N 422.868 5.726 0 40 HKAB c1ccc(C(n2c3ccccc3c3ccccc32)n2c3ccccc3c3ccccc32)cc1 9308898 KOLNRZZENRXDRD-UHFFFAOYSA-N 422.531 7.998 0 40 HKAB C[C@@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1cnc(Cl)c(Cl)c1 12683424 MVOBZXDVQZNNQW-AWEZNQCLSA-N 405.350 5.724 0 40 HKAB Cc1noc(CSc2ccccc2C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)n1 12909386 PAAOMHJJEKSYRJ-YLUBKRJZSA-N 411.571 5.005 0 40 HKAB C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC=C(c2c[nH]c3ccccc23)CC1 12924314 MEYOXCVZFFXVCT-OAHLLOKOSA-N 413.443 5.303 0 40 HKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c(Cl)c4)cc3n2)cc1 13946125 IOYSNOVUDLCVHQ-UHFFFAOYSA-N 420.900 5.206 0 40 HKAB COc1ccccc1[C@H](CNC(=S)Nc1ccc(Oc2ccccc2)cc1)N(C)C 16241266 DIPDTUCKNBJULO-QFIPXVFZSA-N 421.566 5.077 0 40 HKAB O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1c(Cl)cc(Cl)cc1Cl 16383678 TZJZJEDMVRSADT-UHFFFAOYSA-N 412.487 5.916 0 40 HKAB O=C(Nc1ccc(Br)cc1Cl)c1ccc(-c2cccc(Cl)c2)o1 17088743 FHFBMKHNGPJLRR-UHFFFAOYSA-N 411.082 6.268 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 20570858 XTGUUKPWSKVNNH-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB CCCCOc1cccc([C@H]2C(C(=O)OCC)=C(C)Nc3nc4ccccc4n32)c1 20672421 OAKPVLJXKMBTSB-QFIPXVFZSA-N 405.498 5.067 0 40 HKAB Oc1ccc([C@@H]2NC[C@@H](c3ccc(Cl)cc3Cl)c3c2[nH]c2ccccc32)cc1 24204151 HEAUFHQJFJNIJJ-AVRDEDQJSA-N 409.316 6.005 0 40 HKAB CCN(CC)CN1C(=O)S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O 26921180 CHZBDTQPHUMTPU-HYARGMPZSA-N 419.550 5.025 0 40 HKAB Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(Cl)cc2)c1 27835582 PPAITXCHCNQYPG-UHFFFAOYSA-N 423.925 5.028 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 30850610 URURDXJDFYMCED-HSZRJFAPSA-N 422.981 6.977 0 40 HKAB CCCCN(CCCC)CCCNC[C@H]1C(=O)O[C@H]2C[C@@]3(C)CCC[C@@H](C)C3=C[C@@H]21 33887770 FGNDTNHMDIFKKW-ZWYILXQBSA-N 418.666 5.183 0 40 HKAB Cc1cccc(NC(=O)Cn2c3c(sc2=O)[C@H]2C[C@H](C)CC[C@@H]2C(C)(C)S3)c1 35982625 GDPWCXPDRURPNU-PVAVHDDUSA-N 416.612 5.261 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(Br)c1 40942948 DZMDLKJELAVXHO-UHFFFAOYSA-N 417.130 5.897 0 40 HKAB C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@@H]1O 43505173 OFHCOWSQAMBJIW-VUFHZELESA-N 400.647 6.590 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 44933881 FSAVPHWIRKWHAV-FQEVSTJZSA-N 414.549 5.135 0 40 HKAB COc1ccc(NC(=O)c2scc(-c3cccc(F)c3)c2-n2cccc2)c(OC)c1 48991729 RGNFHKOILPEALM-UHFFFAOYSA-N 422.481 5.614 0 40 HKAB Cc1ccc(-c2cc(C(=O)N(C)CC3CC3)c3sc(N4CCCCC4)nc3n2)cc1 57992522 QLKUNANVPYEUSH-UHFFFAOYSA-N 420.582 5.139 0 40 HKAB C[C@@H]1C[C@H](N(C(=O)C(C)(C)C)c2ccccc2)c2ccccc2N1C(=O)C(C)(C)C 59428171 YLZNMSCLZSJKEJ-GCJKJVERSA-N 406.570 5.978 0 40 HKAB CSc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)cc1 67296631 KZIQJRBRPRXWLO-BZZOAKBMSA-N 401.491 5.343 0 40 HKAB CC(C)n1c([C@H]2CCCN2CCC(=O)Nc2ccccc2Cl)nc2ccccc21 72308895 ITONPGMHGJITSW-OAQYLSRUSA-N 410.949 5.436 0 40 HKAB CN(C(=O)Nc1nc(C(F)(F)F)cs1)[C@H](c1ccccc1)c1ccc(F)cc1 95949302 ZGYDTAMQYSZYMJ-MRXNPFEDSA-N 409.408 5.554 0 40 HKAB Cc1ccccc1-c1nc(C)c(CNC(=O)c2ccccc2Br)s1 96096716 JUKFSEWHTPJVNM-UHFFFAOYSA-N 401.329 5.119 0 40 HKAB C=CN(CC)c1ccc([C@@H](c2ccccc2)C2C=CC(CCN)(CCN)C=C2)cc1 102135833 LKFPMMLPPAJOLU-AREMUKBSSA-N 401.598 5.215 0 40 HKAB Cc1cccc([C@@H]2CC3=Nc4nc(C)nn4[C@@H](c4cc(F)cc(F)c4)C3=C(O)C2)c1 102681073 UECYRFZKKOZGIK-QRQCRPRQSA-N 406.436 5.238 0 40 HKAB CN(C)[C@@H](C(=O)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(F)cc1 141570840 KZXAIGDVABBILL-OAQYLSRUSA-N 405.498 5.344 0 40 HKAB CC[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(C)c(C)c1 219847157 VBKSDTRHNAFUCA-DEOSSOPVSA-N 407.941 6.417 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)c1ccccc1 222692048 FKQCTGIPCRPZHZ-UHFFFAOYSA-N 409.938 6.082 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccc(Cl)c(C)c1 224203415 WJUAELPWWCGLMQ-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224461447 BOHOKWILPBPXOC-DEOSSOPVSA-N 405.538 5.490 0 40 HKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 225084337 MMQWPEOMMJOYIP-FGZHOGPDSA-N 422.613 5.383 0 40 HKAB CCn1c(=O)sc2cc(NC(=O)CC(c3ccccc3)c3ccccc3)ccc21 225103897 XLCMPPDCRKATSR-UHFFFAOYSA-N 402.519 5.244 0 40 HKAB Cc1ccc(C(=O)N2CCS/C2=C/c2csc(Nc3ccc(F)cc3)n2)cc1 225254047 AKODOSUXPQCLMF-XDHOZWIPSA-N 411.527 5.522 0 40 HKAB COCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C 225864231 DBWUVDRFVMYWAI-UHFFFAOYSA-N 423.340 5.173 0 40 HKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H]3CC=CCC3)CC2)n1 257250207 JLNMDEBXKTUQNP-BVSLBCMMSA-N 418.585 5.408 0 40 HKAB CCC(CC)C(=O)NC[C@H]1CC[C@H](c2nc(C3CC3)ncc2-c2cc(C)no2)CC1 257306547 SURVSAMFOPWPKR-SAABIXHNSA-N 410.562 5.144 0 40 HKAB O=C(Nc1ccc(F)cc1)c1cc(Br)ccc1OCc1ccccc1 408586245 MDURUUCBZIFHIQ-UHFFFAOYSA-N 400.247 5.420 0 40 HKAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 408642559 OZCRFNPHBGFXHA-HNNXBMFYSA-N 405.325 5.110 0 40 HKAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cccc(Cl)c2Cl)S1 408804736 HACCJYNDPYLPIX-UHFFFAOYSA-N 414.721 5.418 0 40 HKAB Cc1cccc(C2=N/C(=C/c3ccc(OC(=O)c4ccccc4Cl)cc3)C(=O)O2)c1 408983598 GTKBXNJZBGGPEN-KGENOOAVSA-N 417.848 5.212 0 40 HKAB CN(C)[C@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1csc2ccccc12 575619507 GGPRIZWEDIUYHH-QGZVFWFLSA-N 407.461 5.345 0 40 HKAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1C 877834 IOHZBHOYAQDNGC-UHFFFAOYSA-N 414.534 5.188 0 40 HKAB CC[C@H]1CCCCN1C(=O)CSc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cn1 1329762 YMMFYDFGZBTEJF-SFHVURJKSA-N 408.571 5.125 0 40 HKAB CC[C@@H]1CCCCN1C(=O)CSc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cn1 1329764 YMMFYDFGZBTEJF-GOSISDBHSA-N 408.571 5.125 0 40 HKAB Cc1nc(C(=O)Nc2cccc(C(F)(F)F)c2)nn1-c1cc(Cl)cc(Cl)c1 1385718 LEWVDEUHABCZPQ-UHFFFAOYSA-N 415.202 5.154 0 40 HKAB Cc1cc2nc(NC(=O)[C@H](C)c3cccc(C(=O)c4ccccc4)c3)sc2cc1C 2061816 CPMZYKNVONRJKW-QGZVFWFLSA-N 414.530 5.886 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C(=O)OC)C1 2092989 IIEUCVWMELAYLM-AWEZNQCLSA-N 419.974 5.982 0 40 HKAB CCc1ccccc1N1COc2ccc3c(-c4ccc(OC)cc4)cc(=O)oc3c2C1 2122659 BHTQANARQNGTTC-UHFFFAOYSA-N 413.473 5.388 0 40 HKAB biogenic Cc1cccc(OC(=O)Nc2cccc(Oc3c(F)c(F)c(F)c(F)c3F)c2)c1 2199223 OSTNMLJHRKSVML-UHFFFAOYSA-N 409.310 6.094 0 40 HKAB COc1cccc(Nc2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)cnn23)c1 2223787 PATTZYRIWACWDZ-UHFFFAOYSA-N 406.917 6.099 0 40 HKAB Cc1cc2nc(Nc3ncc4c(n3)C[C@H](c3ccccc3)CC4=O)nc(C)c2cc1C 2404777 QDFLWAACJSMDMP-SFHVURJKSA-N 409.493 5.001 0 40 HKAB Cc1nn(C2CCCCC2)c2c1[C@@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 2444382 OLECGOUPRBODDO-GOSISDBHSA-N 410.370 5.778 0 40 HKAB Cc1cc(C(=O)OCC(=O)Nc2ccccc2Oc2ccccc2)c2ccccc2n1 2630547 LLHOXGWOQZWQTR-UHFFFAOYSA-N 412.445 5.131 0 40 HKAB Cc1cc(C(=O)O[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)c(C)o1 3247744 SJXIOOBCZWJQES-IBGZPJMESA-N 418.276 5.740 0 40 HKAB O=C(CCCOC(=O)c1cccc(Cl)c1Cl)c1ccc(Br)cc1 3331692 MOINNZIDPCBQRL-UHFFFAOYSA-N 416.098 5.576 0 40 HKAB Cc1ccc(Sc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)cc1C 3382658 SCHWDNHECVCIQQ-UHFFFAOYSA-N 401.453 6.726 0 40 HKAB COc1ccc(-c2cc3ccccc3n2C[C@@H](O)CNc2ccc(C)cc2C)cc1 3628214 PAKMBEUEXCYTCY-QFIPXVFZSA-N 400.522 5.407 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC(=O)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 3850213 GVAODFIKHWYQPE-CDHICSFHSA-N 416.646 5.971 0 40 HKAB COc1cccc(Nc2nnc(SCCCC(=O)c3ccc(F)cc3)s2)c1 4541303 GSIRCYGYKHQFLM-UHFFFAOYSA-N 403.504 5.185 0 40 HKAB O=S(=O)(Nc1ccc(Cc2ccccn2)cc1)c1ccc2oc3ccccc3c2c1 4624045 UHFJHYQTSSQLSN-UHFFFAOYSA-N 414.486 5.373 0 40 HKAB Cc1cc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)c(C)c1 5036718 UHRKZWQJYZQUNI-UHFFFAOYSA-N 423.582 5.099 0 40 HKAB CCc1nc(NCC[C@H](Cc2ccccc2)c2ccco2)c2oc3ccccc3c2n1 5148465 NINGHPNTAPQAKU-LJQANCHMSA-N 411.505 6.360 0 40 HKAB CCCCOc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccc(Cl)cc32)cc1 5894952 YTVWJJWZPOHOCY-UHFFFAOYSA-N 417.940 6.261 0 40 HKAB CCN(C(=O)c1cccc(F)c1)c1nc(-c2ccc(Br)cc2)cs1 6826468 NHGXTTZIPRYGOO-UHFFFAOYSA-N 405.292 5.378 0 40 HKAB COc1ccc(C(=O)CN(C2=NCCCCC2)c2ccc(Br)cc2)cc1 7275399 XWTFDRGKZVLMSF-UHFFFAOYSA-N 415.331 5.120 0 40 HKAB COc1ccccc1NC(=O)CNc1cc(C(F)(F)F)ccc1NC1CCCCC1 7978759 KSLPXCFPKZXYQK-UHFFFAOYSA-N 421.463 5.509 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(NC(=O)c4ccccc4)c3)o2)cc1C 8319651 YFKKNILCNHGVQZ-UHFFFAOYSA-N 410.473 6.068 0 40 HKAB Cc1ccc(C2=N/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)C(=O)O2)cc1 8399885 UGHNXJKWKABWDA-HAHDFKILSA-N 423.447 5.331 0 40 HKAB O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccc2c(c1)CCC2 8987905 RHLLXCMOQIBNMY-FQEVSTJZSA-N 404.535 5.112 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)cc1 9274881 BBGVIURKKHRZON-UHFFFAOYSA-N 406.269 5.475 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)c1 9291185 WSAXZBBOYVZCQJ-LADGPHEKSA-N 423.343 6.853 0 40 HKAB C[C@@H](c1ccc(-c2ccccc2)c(F)c1)c1nn2c(-c3ccncc3)nnc2s1 9486211 QVIYDZXMBMUJIG-AWEZNQCLSA-N 401.470 5.206 0 40 HKAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 9730983 YSABSRNDFJSLBO-MTJSOVHGSA-N 424.283 5.917 0 40 HKAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3Br)o2)cc1C 9790782 ITTYBCXHXRPLBH-CYBMUJFWSA-N 417.328 5.479 0 40 HKAB CC(=O)Oc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 10041720 PJYIROFTNRKOHK-JOCHJYFZSA-N 408.837 5.046 0 40 HKAB CC(=O)Nc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1 11327481 KPRIBINRXPYIRF-UHFFFAOYSA-N 418.280 5.178 0 40 HKAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2cccc(Br)c2)cc1 12754335 FLWOOADUHGDMRW-UHFFFAOYSA-N 401.329 5.371 0 40 HKAB O=C(Cc1cccc2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 13056787 GBXROTSTPCBLRI-UHFFFAOYSA-N 412.455 6.030 0 40 HKAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2C(F)(F)F)cc1 13284028 AOQNUFJZRIZYJK-UHFFFAOYSA-N 421.444 5.021 0 40 HKAB Cc1sc(NC2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1 13561925 OZUYWUUFPRLTAD-UHFFFAOYSA-N 423.626 6.333 0 40 HKAB Cc1ccc(N2CC(=O)N(c3ccc(C)cc3)[C@H](c3ccc(C(C)C)cc3)C2=O)cc1 15413443 QXILEWXBCBCMHG-AREMUKBSSA-N 412.533 5.548 0 40 HKAB Cc1cccc(OCC(=O)N(C)[C@H](c2cccs2)c2c[nH]c3ccccc23)c1C 15835595 QJPDSPRIOPJCFX-DEOSSOPVSA-N 404.535 5.473 0 40 HKAB CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 17092915 ACBPCKZHJXQPST-UHFFFAOYSA-N 422.337 5.661 0 40 HKAB COc1ccc(CNCc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)cc1 17310346 LCJNWILSOCVAOS-UHFFFAOYSA-N 404.341 5.153 0 40 HKAB Fc1cccc(CN(CCCn2ccnc2)Cc2cccn2-c2cccc(F)c2)c1 19293763 CYKKUYZKDSPDPK-UHFFFAOYSA-N 406.480 5.045 0 40 HKAB O=C(O)c1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1Cl 20139053 ZFSZKGBGCAXCIM-UHFFFAOYSA-N 404.647 5.206 0 40 HKAB Cc1ccc(-n2nc3ccc(NC(=O)COc4cc(C)c(Cl)c(C)c4)cc3n2)cc1 20609988 XXEXEQZROXUCMD-UHFFFAOYSA-N 420.900 5.017 0 40 HKAB O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1ccccc1C(=O)c1cccs1 21480437 JYNHBQXRHIPRHS-UHFFFAOYSA-N 412.335 5.032 0 40 HKAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(OC(F)F)c(OC)c2)cc1 24392405 ZJKJCMHIRCBFEQ-SFHVURJKSA-N 405.441 5.063 0 40 HKAB Cc1nc(-c2ccc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)cc2)co1 24756538 DARPRJHCXRYGEP-UHFFFAOYSA-N 421.456 6.224 0 40 HKAB O=C(Nc1cnn(Cc2ccc(Br)cc2)c1)c1ccc2ccccc2c1 27920958 TVXFOXZZGOWIBX-UHFFFAOYSA-N 406.283 5.099 0 40 HKAB COc1cc([C@@H]2CC(O)=Nc3nc(N)sc32)ccc1OCc1cccc(Cl)c1 32089630 OYWLQGDEXICUEJ-AWEZNQCLSA-N 415.902 5.090 0 40 HKAB Cc1ccc(N[P@](=O)(/C=C2\N(C)c3ccccc3C2(C)C)c2ccccc2)cc1C 32690929 DGBIDGAQALSJOJ-KKPFIQQYSA-N 416.505 6.588 0 40 HKAB Cc1cc(C)cc(-c2nnc(SC[C@@H]3CSc4nnc(-c5ccccc5)n43)o2)c1 32906011 BWFLGRHVNCSYBM-KRWDZBQOSA-N 421.551 5.051 0 40 HKAB O=C(c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1ccco1 34798084 YPDILZKDIGEMGG-UHFFFAOYSA-N 404.469 5.547 0 40 HKAB Cc1ccc(-c2nn(CC(=O)NC3CCCCC3)c(-c3ccc(C)cc3)c2C)cc1 36611636 COINPKFFFORKKN-UHFFFAOYSA-N 401.554 5.591 0 40 HKAB CCOc1ccc(OCC)c(Nc2cc(C(=O)OC)nc3ccc(Cl)cc23)c1 38486608 GERJANWJDHHNDU-UHFFFAOYSA-N 400.862 5.216 0 40 HKAB CC(C)C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1 44904065 DEMJVPYJJYKUIS-HSZRJFAPSA-N 422.550 5.005 0 40 HKAB Cc1nc(C2CC2)nc2sc(C(=O)NCc3ccc(F)cc3C(F)(F)F)c(C)c12 58081541 AVRLAANFKUGLAE-UHFFFAOYSA-N 423.435 5.273 0 40 HKAB Clc1cccc(-c2noc([C@@H]3CC34CCN(c3ncnc5ccccc35)CC4)n2)c1 69668602 SAVXJHNHVFDJEB-SFHVURJKSA-N 417.900 5.107 0 40 HKAB O=C(/C=C/c1ccc(Br)s1)Nc1cccc(Oc2ccncc2)c1 84374596 PILHBSOAIOCZCB-FNORWQNLSA-N 401.285 5.350 0 40 HKAB Cc1ccc(C)c(N2C(=O)[C@@H]3[C@@H](c4ccccc4)C=C[C@@H](c4ccccc4)[C@H]3C2=O)c1 102985973 NEZLLAPYDIROPG-PZXVYJQKSA-N 407.513 5.546 0 40 HKAB CC(C)c1cc(C(C)C)c(Cc2c(C(C)C)cc(C(C)C)cc2C(C)C)c(C(C)C)c1 104102657 ARACJWLRMJAIQY-UHFFFAOYSA-N 420.725 10.018 0 40 HKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 106733882 HLYMARTZGBNAJR-ODLFYWEKSA-N 419.905 5.895 0 40 HKAB Clc1cccc(COc2ccc(Br)cc2CNc2ccccc2)c1 107037575 CZWFIBXAVKKMAQ-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB CC1=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@]2(C)CC[C@@H]1O 118931109 BWKFEXIGKBCPIS-DRABWAQDSA-N 400.691 7.779 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1O[C@H](C)CC 214157751 LCGODCCAUWFDEP-ZFMLPXDISA-N 411.523 5.499 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CCc3ccc(OC)c(OC)c3)ccc21 216356993 KUJDSVZXAGGCPE-UHFFFAOYSA-N 402.494 5.403 0 40 HKAB C[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc2c(c1)OCCO2 222721411 KRXKEPMIHCGQCD-INIZCTEOSA-N 423.896 5.181 0 40 HKAB CC(C)c1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCC3)c(Br)c1 223205731 PTKUEBLZCSFZRX-OAHLLOKOSA-N 416.359 5.317 0 40 HKAB CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223342427 HDOAJHOHAZMUCM-SANMLTNESA-N 418.581 5.563 0 40 HKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 224449520 GXBHODVPQVVLAK-DHIUTWEWSA-N 420.557 5.705 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1cccc(Cl)c1 224487689 KTHNUHRAKYRDSZ-UHFFFAOYSA-N 423.940 6.693 0 40 HKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)c1 224528290 JHJDXELVXVNGRC-XZOQPEGZSA-N 420.582 5.267 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccc(C)c(C)c1 224621363 QCDCUKPVNPZRPY-UHFFFAOYSA-N 411.448 5.812 0 40 HKAB CCOC(=O)c1cc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)ccc1Cl 225660886 PCTQXOHEQPDCBJ-OAHLLOKOSA-N 418.990 5.560 0 40 HKAB CCC(=O)N[C@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cccc(Br)c2)C1 257223601 DYBHFWCJJYSAHI-QKNQBKEWSA-N 420.322 5.466 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@]4(O)[C@H](O)CCC[C@]4(C)[C@H]3CC[C@]12C 257350416 XHJMYRAEGCTDKQ-JKCJHPSFSA-N 404.679 6.584 0 40 HKAB S=C(c1ccc(OCc2ccccc2Cl)c(Br)c1)N1CCCC1 408573842 KYHIZRZUJALMPX-UHFFFAOYSA-N 410.764 5.453 0 40 HKAB COc1ccc(-c2cnn3c(-c4ccc(Br)cc4)cc(C)nc23)cc1OC 408635816 FPTUHBYOWUFZJQ-UHFFFAOYSA-N 424.298 5.151 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4C)C3)cc2)c1 408642318 OAHKVQOCHOWVBX-LJQANCHMSA-N 400.478 5.087 0 40 HKAB COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 408806703 BLJIRLWLFIEKPJ-QZAGLCHTSA-N 407.559 5.749 0 40 HKAB CCc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 409087635 JFWIPTLOQYWQKO-UHFFFAOYSA-N 405.954 6.442 0 40 HKAB CCOc1cc(CNc2ccccc2CC)cc(Cl)c1OCc1ccc(F)cc1 409136969 VWDMADZATMITJU-UHFFFAOYSA-N 413.920 6.631 0 40 HKAB Cc1occc1-c1nnc(NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)o1 544667642 OOQCFLWSLBIQAV-UHFFFAOYSA-N 415.428 5.242 0 40 HKAB CC(C)Oc1cccc(CNC(=O)c2cc(C(C)(C)C)nn2Cc2ccc(F)cc2)c1 2037846257 VXFOOBXLSJWZRM-UHFFFAOYSA-N 423.532 5.085 0 40 HKAB CC(C)CC(=O)N1CCCCCCCN(C(=O)Cc2ccccc2)Cc2ccccc21 2037884944 KQLTWMXCMUUGDY-UHFFFAOYSA-N 420.597 5.601 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 644907 BTEVSYOFNBIBBF-UHFFFAOYSA-N 400.183 6.525 0 40 HKAB CCOc1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1 702339 QSFDJUADXUFASQ-UHFFFAOYSA-N 405.932 5.135 0 40 HKAB COc1cccc2cc(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)c(=O)oc12 856354 AFZXOVLATIIVER-UHFFFAOYSA-N 418.396 5.688 0 40 HKAB CCc1nc(SCC(=O)N(C)c2nc(-c3ccccc3)cs2)c2ccccc2n1 1332545 PNPHCUGUSBCCPR-UHFFFAOYSA-N 420.563 5.071 0 40 HKAB CCCCN(CCCC)C(=S)SCC(=O)n1c2ccccc2c2ccccc21 1787158 MUBXQDXKYHAJEQ-UHFFFAOYSA-N 412.624 6.355 0 40 HKAB CCCOc1ccc(/C=C2\N=C(c3cc(Cl)ccc3Cl)OC2=O)cc1OC 1856030 NHLBRWJBXDWNGC-SXGWCWSVSA-N 406.265 5.135 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccccc1F 1867389 DANDEJLCVJPKPS-UHFFFAOYSA-N 416.839 6.693 0 40 HKAB CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)cc1 1984612 YLVUCNRLWCROBA-INIZCTEOSA-N 403.906 5.483 0 40 HKAB CCCCCCOC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 2323159 BJSABYPIAODJDJ-UHFFFAOYSA-N 420.488 5.091 0 40 HKAB CSc1nc(SCCN(C)C)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 2400565 IZWNZBGIAAFIBW-UHFFFAOYSA-N 418.657 5.227 0 40 HKAB Cc1nn(C2CCCC2)c2c1[C@H](c1ccc(Br)cc1)SCC(O)=N2 2449549 XDFFDYMDOWUOSM-KRWDZBQOSA-N 406.349 5.493 0 40 HKAB CC(C)(C)c1ccc(Oc2c(F)c(F)nc(N3CCOCC3)c2F)c(C(C)(C)C)c1 2450966 SXPSJGKXQXTION-UHFFFAOYSA-N 422.491 5.723 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(Cl)cc1Cl 2590232 RWUSRLBSKQEAAV-UHFFFAOYSA-N 417.258 6.255 0 40 HKAB Cc1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)cc1C 2744712 FRMHTGMGHOAHNP-UHFFFAOYSA-N 410.473 5.177 0 40 HKAB S=C(Nc1ccccc1)C1=C(N2CCCCC2)/C(=C/c2ccc(Cl)cc2)CC1 3200196 KTRWWLYQIBXKRG-HTXNQAPBSA-N 408.998 6.697 0 40 HKAB O=C(Cc1ccc(Cl)cc1)O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 3363779 XAWCLBLWPVVZLW-DEOSSOPVSA-N 403.865 5.531 0 40 HKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1C 4033397 BQUJCGQNJIGHCW-HXUWFJFHSA-N 413.496 5.361 0 40 HKAB COc1ccccc1[C@@]1(CCN(C(C)=O)[C@@H](C)c2ccccc2)CCO[C@@H](C(C)C)C1 4073193 BLORJSGUUHAICH-KWTBFXGESA-N 423.597 5.768 0 40 HKAB CCCCC1CCC(C(=O)Nc2c3c(nn2-c2cc(C)cc(C)c2)CSC3)CC1 4176198 YHMMGYOPRRSZHO-UHFFFAOYSA-N 411.615 6.171 0 40 HKAB COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Nc3ccc(C)c(C)c3)c2c1 4193568 PFYKTEVPZLEBFO-UHFFFAOYSA-N 418.518 5.437 0 40 HKAB CCc1ccc(-c2ccc(SCC(=O)Nc3cccc(C(F)(F)F)c3)nn2)cc1 4356237 IXZLIGCSXUZAAC-UHFFFAOYSA-N 417.456 5.456 0 40 HKAB CC(C)(C)C(=O)NCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1 4385646 YMDUZAGVASPVEV-UHFFFAOYSA-N 404.341 5.096 0 40 HKAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 4556337 XIFIOOIBWOOAAM-IBGZPJMESA-N 413.930 5.468 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1CCCCC2 4558264 MNNXFISNLZIURP-UHFFFAOYSA-N 421.946 5.173 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F 4657275 BKGHHJSDHVFNRT-ZFWWWQNUSA-N 410.783 5.042 0 40 HKAB Cc1cccc(NC(=O)c2cccc(NC(=O)COc3ccc4ccccc4c3)c2)c1 4666552 ATITWCLGUKVMCD-UHFFFAOYSA-N 410.473 5.418 0 40 HKAB Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3C)c2)c1 4716809 FXLRZYPJDIIDHS-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCc1cccc2c(SCC(=O)NCCC(C)C)nc(-c3ccc(F)cc3)nc12 4894925 JQQYHRLVCPKEMI-UHFFFAOYSA-N 411.546 5.253 0 40 HKAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccc(Cl)c(Cl)c4)nc32)c(C)c1 5158268 CQMDFOIFQBOIDU-UHFFFAOYSA-N 409.280 5.054 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3cccc(OC)c3)n2CC)cc1 5518003 ISMKPHHJXPDGDK-MRXNPFEDSA-N 424.570 5.218 0 40 HKAB COc1ccc(-c2nc3ccccc3c(C(=O)NCc3ccc(Cl)cc3)c2C)cc1 5531957 ZOFVPNFEQHLCMD-UHFFFAOYSA-N 416.908 5.802 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2ccc3ccccc3c2)cc1OC 6152835 PPANTILYFMXUAV-UHFFFAOYSA-N 414.299 5.652 0 40 HKAB c1ccc(Oc2c(-c3ccccc3)nc(N3CCCCC3)nc2-c2ccccc2)cc1 6242316 IHRHXNXOHJOSAC-UHFFFAOYSA-N 407.517 6.593 0 40 HKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]3Cc4c(nc5ccccc5c4C(=O)O)[C@]3(C)CC[C@H]12 6491308 YXDIPGYMNWXTTF-LVVURWRHSA-N 419.565 5.350 0 40 HKAB CCc1cccc2c(C(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)c[nH]c12 6531978 SDHCLYLIJXNLLM-UHFFFAOYSA-N 416.550 5.223 0 40 HKAB CN(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)Cc1ccccc1Cl 6882109 BCQNPECQNLSHFG-UHFFFAOYSA-N 415.320 5.856 0 40 HKAB CCc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O 7543291 GFYGJXJLAFAWMP-HXUWFJFHSA-N 413.496 5.307 0 40 HKAB COc1ccc(C)cc1N1C[C@H](C(=O)Nc2c(C(C)C)cccc2C(C)C)CC1=O 7668860 ZPSLJIVSGAZHKG-GOSISDBHSA-N 408.542 5.242 0 40 HKAB Cc1cc2occ(CC(=O)Oc3ccccc3-c3nc4ccccc4s3)c2cc1C 7986978 MJAKRIQHZORWHD-UHFFFAOYSA-N 413.498 6.474 0 40 HKAB CN(C(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1)C1CCCCC1 8470845 IBASZESHKMBYGC-UHFFFAOYSA-N 412.533 6.070 0 40 HKAB CC(C)CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 8658498 QFMLITHYGULRAI-UHFFFAOYSA-N 405.592 6.533 0 40 HKAB Cc1ccc(C(=O)n2ccc(-c3cccc(OCc4c(F)cccc4Cl)c3)n2)cc1 8782108 JUOWUUYLNXEGFA-UHFFFAOYSA-N 420.871 5.919 0 40 HKAB O=c1[nH]cnc2c1c(-c1ccccc1)c(-c1ccccc1)n2CCc1ccc(F)cc1 8869670 BSHKZIFFOPFZOR-UHFFFAOYSA-N 409.464 5.440 0 40 HKAB FC(F)(F)Oc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 9076443 HWOIBWCKZJLCTK-UHFFFAOYSA-N 412.396 5.596 0 40 HKAB CCC(=O)c1ccc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)cc1 9476847 WNHGXPASFNUVOC-GOSISDBHSA-N 424.547 5.159 0 40 HKAB CSCC[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2[nH]1 12604311 NJZXBCPSORFZMX-QFIPXVFZSA-N 417.534 5.579 0 40 HKAB Cc1nn(CC(C)C)c2sc(C(=O)N[C@@H]3CCSc4ccc(F)cc43)cc12 12695019 DAZAQIGUXKLEBW-MRXNPFEDSA-N 403.548 5.168 0 40 HKAB CCCC[C@H](CC)C(=O)Oc1cc(-c2ccccc2)nn1-c1nc2ccccc2[nH]1 13611084 XYJHNPRQVRDXGY-KRWDZBQOSA-N 402.498 5.537 0 40 HKAB Cc1cccc(CCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 13670490 QTTSMNBTFDZQQZ-UHFFFAOYSA-N 409.982 6.303 0 40 HKAB Clc1ccccc1-c1nnc(CN(Cc2cccs2)Cc2cccs2)o1 16396771 XHZGOIUHWOLOJD-UHFFFAOYSA-N 401.944 5.715 0 40 HKAB Fc1ccc(CNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 16401617 QBGPYWNDJYENGI-UHFFFAOYSA-N 424.730 6.655 0 40 HKAB Fc1ccccc1[C@@H]1N=C2SC(c3ccccc3)=NN2C(=S)N1c1ccccc1 16478061 PNUMYWSNYRQFDS-LJQANCHMSA-N 418.522 5.396 0 40 HKAB CCCCCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 16806740 ZYUIMKKOKGHIMT-UHFFFAOYSA-N 407.970 7.023 0 40 HKAB COc1cccc(-c2cc(C(=O)Nc3cccc(NC(C)=O)c3)c3ccccc3n2)c1 32104298 VXDYZCXUQJGNPK-UHFFFAOYSA-N 411.461 5.121 0 40 HKAB Cc1cc(C(=O)Nc2c(C)nn(COc3ccc(Cl)cc3Cl)c2C)c(C)o1 32609880 RSNSJFXIUAQGGM-UHFFFAOYSA-N 408.285 5.305 0 40 HKAB O=C(CSc1ccc2ccccc2c1)N1c2ccccc2S[C@@H]2C=CC=C[C@@H]21 33586960 JMIYQJXXZKKCMH-RBBKRZOGSA-N 401.556 5.934 0 40 HKAB CCOc1c(Br)cc(Br)cc1CNc1cccc(C)c1C 37215619 GMUQKVGJVDEFFD-UHFFFAOYSA-N 413.153 5.839 0 40 HKAB Cc1cc(C(=O)N(Cc2ccccn2)c2nc3c(C)cc(Cl)cc3s2)c(C)o1 38837131 ORWLQWLNASYQIK-UHFFFAOYSA-N 411.914 5.710 0 40 HKAB CSc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 38852543 DFRGSVSDPMGDOV-UHFFFAOYSA-N 409.382 5.566 0 40 HKAB CCSc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 44938628 PGIHRHMFKADLCF-UHFFFAOYSA-N 423.409 5.956 0 40 HKAB O=C(CN[C@@H](c1ccccc1)c1cccs1)Nc1ccc(N2CCCCC2)cc1 57289784 XVSADSWUCWGNDG-DEOSSOPVSA-N 405.567 5.056 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)nc1)c1ccccc1SCc1cscn1 57984823 LNHQUSSHBITZDH-UHFFFAOYSA-N 419.531 5.875 0 40 HKAB Cc1ccc2nc(Cl)c([C@@H]3CC(c4ccccc4)=NN3C(=O)C(C)(C)C)cc2c1 58133976 DONUOLVRMXXURU-NRFANRHFSA-N 405.929 5.920 0 40 HKAB Cc1cccc(C)c1NC(=O)CSCc1nc(-c2cccc(C(F)(F)F)c2)no1 58172897 LYJLSUMKFZWFPQ-UHFFFAOYSA-N 421.444 5.244 0 40 HKAB CC(C)CN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 72215825 NDYAUYQDFQXWKI-QFIPXVFZSA-N 409.574 6.338 0 40 HKAB COc1ccccc1CNc1c(C(=O)N2CCCCC2)cnc2ccc(Cl)cc12 72328459 YSSWEOKBTOZLPS-UHFFFAOYSA-N 409.917 5.135 0 40 HKAB COc1ccc(C(=O)c2ccc(C)cc2)c2c(OC)ccc(C(=O)c3ccc(C)cc3)c12 90530425 XNWRKQIOZIUKJF-UHFFFAOYSA-N 424.496 5.936 0 40 HKAB Clc1cc(Cl)c2nc(Cc3nc(-c4c[nH]c5ncccc45)cs3)cn2c1 95462135 UXGVQFAFXQCWEX-UHFFFAOYSA-N 400.294 5.232 0 40 HKAB C[C@@H]1ON=C(c2ccccc2Cl)[C@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 100281562 ZQLQAXAFJNVCKH-ZSEKCTLFSA-N 404.853 5.617 0 40 HKAB COc1ccc(-c2nnc([C@@H](C)N3CCCCC[C@H]3c3ccc(OC)cc3)o2)cc1 103363190 UMCNQFZUFPNORF-VGSWGCGISA-N 407.514 5.432 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(C4CCCCC4)c3C)N21 222693520 NFOOPFNIKALYIL-SXSPYAJSSA-N 408.615 5.985 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COCc3ccccc3)c2)cc1 224356124 OJGIBAVYWFYLOE-UHFFFAOYSA-N 403.522 6.007 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1cccc(CN2CCCCC2)c1 224683143 MIJNBAALMOYMFL-VWLOTQADSA-N 416.565 5.300 0 40 HKAB Nc1c(-c2cccc(Cl)c2)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1 225177802 DZBPJGLVBRXZTB-UHFFFAOYSA-N 405.729 5.813 0 40 HKAB COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 225557001 TYFQMQZEVCNVEF-UHFFFAOYSA-N 422.352 5.859 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)N[C@@H](C)CC)cc1 225580020 BPNHHQZDRDPWAG-SQJMNOBHSA-N 422.613 5.212 0 40 HKAB COC(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CCCC2)ccc1OC(C)C 225686234 QRXDCNIVLSWPFV-UHFFFAOYSA-N 415.917 5.364 0 40 HKAB O=C(NCC1(c2ccccc2)CCOCC1)c1ccccc1SCc1ccccc1 225873059 WELCNUBJAIQSPI-UHFFFAOYSA-N 417.574 5.457 0 40 HKAB O=c1[nH]c2c(s1)[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2 245225865 VTAYVTORGQTMSX-WJRACZLCSA-N 421.587 5.668 0 40 HKAB Cc1noc(C)c1CC(=O)N1CCCC[C@H]1c1ccc(-c2cccc(Cl)c2)nc1 257289433 PYOFERJXKBDHBK-QFIPXVFZSA-N 409.917 5.303 0 40 HKAB Cc1cc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5cccs5)n4)C3)ccc2o1 257294833 QVXPHJMIYMTGSE-GOSISDBHSA-N 402.519 5.885 0 40 HKAB CCCCOc1ccc(C(=O)/N=c2\sc(CCC)c(-c3ccccc3)n2CC)cc1 408561939 LVLCMUKNPOFADA-QPLCGJKRSA-N 422.594 6.109 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3c(C)ccc4nsnc34)o2)cc1Cl 408575325 UJJKTEKWOUSEEJ-JXMROGBWSA-N 409.898 5.873 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3C)n2)c1 408699693 VRESSMDUOXPWKB-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CC(C)COC(=O)c1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1 408732342 UUENSHGSDYKPGQ-NVMNQCDNSA-N 418.276 5.151 0 40 HKAB CCOc1ccc(Cl)cc1/C=C1\S[C](Nc2cc(Cl)ccc2C)NC1=O 408810187 KCOHYRLTONGGPH-UHFFFAOYSA-N 408.330 5.464 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 408830299 MAMXDGKMJHGJAR-UHFFFAOYSA-N 419.956 5.223 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1Cc3ccccc3[C@H]21 408999859 SOBUFXGZDCOXQM-PERKRYKHSA-N 410.300 6.163 0 40 HKAB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1cccc2ccccc12 409116393 NPSKSZFKVKLFGB-UHFFFAOYSA-N 417.936 7.001 0 40 HKAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)CCC1CCCCC1)C2 643575921 OHIMOPJWLLJADY-RPWUZVMVSA-N 411.634 5.433 0 40 HKAB Cc1c(Br)cncc1-c1nc(-c2cccc(Oc3ccccc3)c2)no1 1615611211 WSLJUYOYDUGWNT-UHFFFAOYSA-N 408.255 5.662 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)cc1C 629509 SZNDKINBJPRDCP-UHFFFAOYSA-N 405.523 5.036 0 40 HKAB COc1ccc(-c2csc3ncnc(NCCc4ccc(OC)c(OC)c4)c23)cc1 948444 UNFKTLPXUDMGHM-UHFFFAOYSA-N 421.522 5.039 0 40 HKAB CCc1ccc(Oc2coc3cc(O[C@@H](C)C(=O)O[C@@H](C)CC)ccc3c2=O)cc1 957145 MRCMRJZUFQRRRH-HOTGVXAUSA-N 410.466 5.257 0 40 HKAB FC(F)(F)c1cc(-c2ccccc2)nc2cc(-c3cccc(Br)c3)nn12 1025899 BEYMCKQGBAJMKV-UHFFFAOYSA-N 418.216 5.845 0 40 HKAB O=C(NCCc1ccc(Cl)cc1)c1cc2sccc2n1Cc1ccc(F)cc1 1350638 XJKUBVRKUTZMNB-UHFFFAOYSA-N 412.917 5.516 0 40 HKAB O=C(Nc1ccccc1Cl)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363866 CKMBQQKHWJKUQT-AWEZNQCLSA-N 417.296 5.455 0 40 HKAB COc1ccc([C@@H](O)c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)cc1 1408148 FCQSAMPQSYIOEP-XMMPIXPASA-N 400.522 5.472 0 40 HKAB O=C(CSc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1)c1ccccc1 1447508 IYLKILNTSFQKOB-UHFFFAOYSA-N 411.939 5.624 0 40 HKAB CCCCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 1744066 BMMNGFWQFMBEOQ-UHFFFAOYSA-N 401.601 6.106 0 40 HKAB CC(C)(C)C(=O)COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 1852935 ZHRNEVKNSXJYQH-UHFFFAOYSA-N 416.304 5.981 0 40 HKAB CN(C(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1C(=O)NCc1ccccc1 1926454 IQIDQBZZPGAFKW-UHFFFAOYSA-N 420.512 5.560 0 40 HKAB O=C1N=C(c2ccccc2)O/C1=C/c1ccc(-c2ccc(-c3ccccc3)cc2)cc1 2030245 RDUHJWMCXXSXNC-LGUFXXKBSA-N 401.465 6.365 0 40 HKAB Cc1ccc2nc(-c3cc(NC(=O)c4ccc5ccccc5c4)ccc3Cl)oc2c1 2050825 WJSMOBUIGGBSET-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB Cc1cccc(C(=O)NC[C@]2(C)C[C@@H](NC(=O)c3cccc(C)c3)CC(C)(C)C2)c1 2749058 QQTIKOPEHWBRTM-BKMJKUGQSA-N 406.570 5.048 0 40 HKAB Cc1nn(-c2ccccc2)c2c1C1=C(C=Nc3ccccc3N1)[C@@H](c1ccccc1)C2 3102242 UXCSUZHGYXTWFY-OAQYLSRUSA-N 402.501 6.060 0 40 HKAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)c1cccc(C(F)(F)F)c1 3237764 OGDHSPCBBQHFAY-UHFFFAOYSA-N 413.395 5.172 0 40 HKAB CC(C)(C)c1ccc([C@H]2SCC(=O)N2CCOCc2ccccc2Cl)cc1 3627596 OMZXBJBJVMZWGX-OAQYLSRUSA-N 403.975 5.428 0 40 HKAB O=C(CCOc1ccccc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 4076612 IZTLGHHIZOKFOH-UHFFFAOYSA-N 400.503 5.885 0 40 HKAB C[C@]12CC[C@H](O[C@H]3CCCOC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CCO 4104899 QAXOXOIELCAIDC-CFKJIUMDSA-N 404.635 5.592 0 40 HKAB biogenic,in-vitro Cc1ccccc1NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCCC3 4116293 OKHDNHWZNUVSRA-UHFFFAOYSA-N 417.534 5.968 0 40 HKAB O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)c1ccc(Cl)c(Cl)c1 4150929 SAHCVJROLOLNMD-UHFFFAOYSA-N 419.120 6.071 0 40 HKAB O=C(CSCc1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 4263079 MWNOLWLHYPRRFM-HXUWFJFHSA-N 410.539 5.498 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)c1c(Cl)nc(Cl)c(Cl)c1Cl 4593616 XPLMWCNZKAKACO-UHFFFAOYSA-N 404.002 5.966 0 40 HKAB CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1cccc2ccccc12 5451600 KXAQNQHXWGERCZ-UHFFFAOYSA-N 405.885 5.134 0 40 HKAB Cc1c(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)oc2ccccc12 5792711 JRTYEQUXXGCTDV-UHFFFAOYSA-N 402.837 6.455 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 6128905 IXVXRTVPRGRUAK-INIZCTEOSA-N 406.555 5.389 0 40 HKAB COc1ccc(NC(=O)c2cccc(Cl)c2)cc1NC(=O)c1cccc(Cl)c1 6847152 ZSROSZCYIFORCK-UHFFFAOYSA-N 415.276 5.507 0 40 HKAB CCn1c(SCc2cccc(OC)c2)nc2scc(-c3cccs3)c2c1=O 6851591 LRKWCBLCYFWMQL-UHFFFAOYSA-N 414.577 5.507 0 40 HKAB Cc1noc(C)c1CCC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 7542217 QARCUHLDJHOJFM-FQEVSTJZSA-N 421.928 5.307 0 40 HKAB Cc1ccc(Cl)c(NC(=O)CN(Cc2ccco2)Cc2cccs2)c1Cl 7580248 MJNCRRDBNGYEGM-UHFFFAOYSA-N 409.338 5.597 0 40 HKAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc(Cl)c1O 7884008 NGFTZDRKVZJYKR-JOCHJYFZSA-N 408.885 5.129 0 40 HKAB COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C(C)C 8050401 VILZAHPWGGHHPB-UHFFFAOYSA-N 407.841 5.292 0 40 HKAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccc2ccccc12 8382048 REWXAZPCAFQUFL-UHFFFAOYSA-N 414.917 7.022 0 40 HKAB COc1cccc2cc(-c3nc(-c4ccc(Cl)c(Cl)c4)c(C)s3)c(=O)oc12 8926580 XCSZFZFSKOXJSK-UHFFFAOYSA-N 418.301 6.207 0 40 HKAB CCc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 9233812 DRQOLASKNIKJIU-HSZRJFAPSA-N 424.500 5.113 0 40 HKAB Cc1occc1-c1nnc(SCC(=O)c2ccc(Cl)s2)n1-c1ccccc1 9468788 CCZDITBTRNTEJW-UHFFFAOYSA-N 415.927 5.526 0 40 HKAB O=C(CSc1nnc2ccccn12)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 9767860 HESSHVARPRHKCM-UHFFFAOYSA-N 422.124 5.074 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)c(F)c1 11431994 DGUBBDMMCFHVKQ-UHFFFAOYSA-N 406.461 5.589 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CC[C@H](C)C2 11852363 IAQNFNZNPQLLTB-QMMMGPOBSA-N 418.367 5.670 0 40 HKAB O=Cc1cn(-c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)nc1-c1cccnc1 12568329 SQDWXTPENDBXAO-UHFFFAOYSA-N 411.852 5.010 0 40 HKAB Cc1nc(-c2ccc(NC(=O)c3ccccc3SCc3ccsc3)cc2)cs1 13114238 JUEBHLSNEMAULJ-UHFFFAOYSA-N 422.600 6.725 0 40 HKAB Cc1ccc(N(C(=O)[C@H]2COc3ccccc3O2)c2nc3ccccc3s2)cc1C 14138986 SXMFIXWNDPYPDV-OAQYLSRUSA-N 416.502 5.418 0 40 HKAB Cc1nc(-c2cccc(NC(=O)CNc3ccccc3N3CCCCC3)c2)cs1 15357180 HWIBEWBTOSHDIK-UHFFFAOYSA-N 406.555 5.159 0 40 HKAB Cc1ccc(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)c(C)c1 15881559 RXXYUPAYZCLZFD-UHFFFAOYSA-N 402.498 5.145 0 40 HKAB C[C@H]1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)C[C@@H](C)O1 16712818 APJYHERCIDOZRE-CALCHBBNSA-N 418.928 5.355 0 40 HKAB Cc1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1C 17091766 XUQTVLJBSBCFHR-UHFFFAOYSA-N 419.333 5.997 0 40 HKAB Cc1cccc(C)c1-n1nnnc1[C@H](c1ccc(Cl)cc1)N(C)Cc1ccccc1 19907599 MFAGEJJMFOHPGL-QHCPKHFHSA-N 417.944 5.154 0 40 HKAB Cc1nc(NC(=O)CSc2nc3ccccc3n2CC(C)C)c(Cl)cc1Cl 25392728 IODRESFHXWVIOU-UHFFFAOYSA-N 423.369 5.433 0 40 HKAB C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)c1ccccc1 40120564 FNAZBGHYXMZILT-CYBMUJFWSA-N 417.387 5.433 0 40 HKAB Cc1ccc(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)cc1 57486332 ATQMVKXARIHCDM-UHFFFAOYSA-N 402.563 6.475 0 40 HKAB Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 65605785 FDAOMMYUWSTALK-OAQYLSRUSA-N 421.566 5.521 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(CNc2ccccc2)cc1 72311620 YSUARZKTCLNTNO-VWLOTQADSA-N 411.505 5.201 0 40 HKAB Cc1cnc(Nc2cccc([C@@H]3CCCN3Cc3cccc4ncccc34)n2)s1 72375741 OSQVHLCXTXCXOU-NRFANRHFSA-N 401.539 5.475 0 40 HKAB Cc1cc2nc(-c3ccc(Cl)cc3Br)oc2c(Br)c1C 73638161 FUYANEMXYRRGOW-UHFFFAOYSA-N 415.512 6.290 0 40 HKAB CCCCn1cnc2c(c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccco2)c1=N 100925639 FIJCPNBNBVXNII-UHFFFAOYSA-N 422.532 6.093 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1 107620818 ZRNVFTBXGAGVBZ-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB CCCC/N=C1\S/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)N1CCCC 109597020 FYERONHLWLPXBA-WELATPIXSA-N 416.974 6.473 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccc(C)cc1 223605495 MHJVNOOGWIWVHV-NCJDQSJGSA-N 404.535 5.095 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1C(C)(C)C 223714947 FZLNQBOIGOFSTE-HXUWFJFHSA-N 405.991 5.703 0 40 HKAB CCCc1ccc(OCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 224276935 ZZPKSPBCOGDEME-UHFFFAOYSA-N 423.940 5.680 0 40 HKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 224415761 NNGIXXMBBWYKEL-YADHBBJMSA-N 406.530 5.314 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2C)cc1COc1cc(C)cc(C)c1C 224607818 WXSYEONSYJQKLD-UHFFFAOYSA-N 403.522 6.150 0 40 HKAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 224621205 RCQQYXCKUAPYGL-PKTZIBPZSA-N 418.566 5.271 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C(F)(F)F 225760737 JZZJOXNNCZHAPE-UHFFFAOYSA-N 409.423 6.084 0 40 HKAB Cc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cc1Cl 225852907 UUMJTAWHEQUWRU-UHFFFAOYSA-N 407.410 6.534 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2cc(N)ccc2N2CCCC[C@@H]2C)cc1Cl 226261888 GGWSFSNDYOGMFG-LBPRGKRZSA-N 408.329 5.215 0 40 HKAB CCc1cccc(C)c1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408675271 HATQBDLBDDIHDH-UHFFFAOYSA-N 400.453 5.438 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(C)ccc3C)n2)c1 408698184 LURZEDZQWXHZLC-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB CCCOc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 408714118 JAVYDXQYCXVZQZ-UHFFFAOYSA-N 407.514 5.095 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3C)n2)cc1 408727883 YOBBFPPIHOCWIM-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB CCCCOc1ccc(-c2nc(O)c3c4c(sc3n2)CCCC4)c2ccccc12 408735034 MORBPYGFBYEEMN-UHFFFAOYSA-N 404.535 6.275 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1C 409137099 WIURTUAIVJOEBT-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB O=C1N/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1c1ccc(Cl)cc1 409166312 DIHVZHPVLLNHOZ-XSFVSMFZSA-N 404.853 5.016 0 40 HKAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2)n1 585292328 HFXASWHRIPXIRR-YVNCXZRQSA-N 419.554 5.061 0 40 HKAB O=C(Nc1ccccc1)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1ccccc1Cl 642468 CJDOZMFPACQMPV-NZQKXSOJSA-N 401.897 5.896 0 40 HKAB Nc1c(C(=O)c2ccc(F)cc2)oc2nc(-c3cccs3)cc(-c3ccco3)c12 1036650 PMCPXAAFBRLGAQ-UHFFFAOYSA-N 404.422 5.769 0 40 HKAB Cc1cc2nc([C@H]3CCCN(C(=O)Nc4ccc(C(F)(F)F)cc4)C3)[nH]c2cc1C 1350336 RGYKVJXWMJFHKT-HNNXBMFYSA-N 416.447 5.610 0 40 HKAB Cc1ccccc1N(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCCC1)c1cccs1 1365833 VHQFCMXZVGTTRA-SFHVURJKSA-N 424.488 5.142 0 40 HKAB Cc1cc2c(c(SCc3ccc(F)c(F)c3)n1)C(=O)N(c1ccc(C)c(C)c1)C2=O 1405547 LUSJUJGDNXWARM-UHFFFAOYSA-N 424.472 5.378 0 40 HKAB O=C(Oc1ccc(Oc2ccc(OC(=O)c3ccccc3)cc2)cc1)c1ccccc1 1861099 VCCVHLABBGNRMU-UHFFFAOYSA-N 410.425 5.917 0 40 HKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(-c3cc(Cl)ccc3O)c2)cc1 1890660 GABKGYMZHFOWAA-UHFFFAOYSA-N 417.892 6.459 0 40 HKAB CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)/C=C/c1ccco1 2063131 JPJPHRSQMHWGHC-LECGRMGRSA-N 405.925 6.468 0 40 HKAB Cc1ccccc1N1COc2c(cc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)C1 2158608 MIGLOLJNAYSLLY-UHFFFAOYSA-N 411.501 5.666 0 40 HKAB biogenic CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@@H](O)c2ccc(Cl)cc2)cc1 2403333 SKTNTCPFOKZFQS-JIPXPUAJSA-N 407.878 5.350 0 40 HKAB CC(C)(C)c1cc(Nc2ccc(Br)cc2)n2ncc(-c3ccccc3)c2n1 2433293 HWYWQQHFEDNRPW-UHFFFAOYSA-N 421.342 6.200 0 40 HKAB O=C(CSc1nc2ccccc2s1)Nc1cc(C(F)(F)F)ccc1Cl 2680241 LPTCHRQNTZQBHM-UHFFFAOYSA-N 402.850 5.699 0 40 HKAB CCn1c2ccccc2c2cc(NC(=S)Nc3ccc(OC(F)F)cc3)ccc21 3258832 XHFLSVFKYRRBPO-UHFFFAOYSA-N 411.477 6.225 0 40 HKAB O=C(CSc1ccc2ccccc2c1)OCC(=O)c1ccc(Br)s1 3292609 RZJSARVBFRPDIE-UHFFFAOYSA-N 421.337 5.182 0 40 HKAB Cc1ccc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)c(Br)c1 3306406 BVYVUHPSTXYWDT-UHFFFAOYSA-N 400.316 6.117 0 40 HKAB CCOc1cccc(C(=O)Nc2c(C(=O)c3ccc(OC)cc3)oc3ccccc23)c1 3655552 TUIGYYULAYBJHW-UHFFFAOYSA-N 415.445 5.323 0 40 HKAB On1c(-c2ccccc2)c([C@H](c2ccc(Cl)cc2)N2CCOCC2)c2ccccc21 4247765 UJCOMVGWPUDIGZ-DEOSSOPVSA-N 418.924 5.621 0 40 HKAB COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 4309640 SMEZCCDUTACTOW-ISKFKSNPSA-N 404.897 5.899 0 40 HKAB COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 4871522 HWOMHNHGKRJXDG-URXFXBBRSA-N 420.896 5.600 0 40 HKAB O=C(CSC1=NC2(CCCCC2)N=C1c1cccc(F)c1)Nc1ccc(F)cc1 4890788 ISOVXANMIJJMJL-UHFFFAOYSA-N 413.493 5.198 0 40 HKAB Cc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(F)cc23)cc1C 4970229 YXBGXBGNRUFAHG-UHFFFAOYSA-N 415.899 6.958 0 40 HKAB CCC(CC)C(=O)Nc1c(C(=O)Nc2cc(OC)ccc2OC)oc2ccccc12 5107052 BWLUHMOWOSGZNN-UHFFFAOYSA-N 410.470 5.077 0 40 HKAB Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2F)c2c3c(sc2n1)CCCC3 5212796 MHEMNZGJEQBKFC-NSHDSACASA-N 401.532 5.137 0 40 HKAB COc1ccc(C2=NN=C(c3ccc(Br)cc3)Nc3ccccc32)cc1 5959399 AUELPLAQVCSZHW-UHFFFAOYSA-N 406.283 5.082 0 40 HKAB O=C(Nc1ccccc1)Nc1cc(Cl)c(NC(=O)Nc2ccccc2)cc1Cl 6344457 DQTWPFODUOGFAG-UHFFFAOYSA-N 415.280 6.281 0 40 HKAB CCS(=O)(=O)Nc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 6500213 MPIMJVNGISPGPV-UHFFFAOYSA-N 422.937 5.984 0 40 HKAB CC(C)(C)N1C(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S 6563323 CXTFWZWOPZIEIN-ZROIWOOFSA-N 412.363 6.253 0 40 HKAB COc1ccc(-c2noc(C3=C(Nc4ccc(C)cc4)Oc4ccccc4C3)n2)cc1 6785003 PXPNGUNDBRREQS-UHFFFAOYSA-N 411.461 5.469 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)C[C@@H]3Sc4ccccc4NC3=O)cc2)c1 6982022 LPRIQDIPJKZCSX-NRFANRHFSA-N 404.491 5.229 0 40 HKAB Cc1cc(NC(=O)c2ccc(CSc3nnc(C)n3C3CC3)cc2)ccc1Cl 7617759 KSOMXGNOMQDZPE-UHFFFAOYSA-N 412.946 5.428 0 40 HKAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 7755727 IUEJTXIORPORPY-UHFFFAOYSA-N 418.497 5.113 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)cc2)cc1C 7881796 BMJRQYUFBZNHSF-NRFANRHFSA-N 414.505 5.083 0 40 HKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 7996165 RTSIMDGNECLYCY-UHFFFAOYSA-N 409.511 5.942 0 40 HKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(-c2ccccc2Cl)cs1 7996197 GTRZSORZESZSBM-UHFFFAOYSA-N 411.939 6.148 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1 8041457 SOHUQUSQZWJNMQ-QGZVFWFLSA-N 407.897 5.594 0 40 HKAB COc1ccccc1OCCn1c(NC(=O)c2ccccc2Cl)nc2ccccc21 8590611 HHVXZHFJFXKBNS-UHFFFAOYSA-N 421.884 5.030 0 40 HKAB C[C@H]1CCCCN1C(=O)c1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1 8782973 DHOIDVYBPKFPJZ-IBGZPJMESA-N 400.522 5.539 0 40 HKAB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(C)c(C)c3)n3ccccc23)c(C)c1 9316568 JBFRLWVZAQMBEY-UHFFFAOYSA-N 411.505 5.238 0 40 HKAB COc1ccc(-c2c(N)oc3cc(OCc4ccccc4Cl)ccc3c2=O)cc1 9340271 ZXCRQASGEMQQET-UHFFFAOYSA-N 407.853 5.283 0 40 HKAB Cc1noc(C)c1CSc1ncccc1C(=O)N(C)Cc1c(F)cccc1Cl 9349417 VDCDFAOEHGUSGS-UHFFFAOYSA-N 419.909 5.043 0 40 HKAB Clc1ccc2nc(CSc3nnc(-c4ccccc4)o3)c(Br)n2c1 9402927 QWJJRAKJWPWFJC-UHFFFAOYSA-N 421.707 5.093 0 40 HKAB Cc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 9446919 LALHEPIQCOFFLC-FQEVSTJZSA-N 420.852 5.109 0 40 HKAB O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnc(Cc2ccccc2)o1)c1ccccc1 9603653 YRHRGPQGSUZZHQ-NRFANRHFSA-N 419.481 5.272 0 40 HKAB CCOc1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 9817254 QBZWUDFFDATOEN-UHFFFAOYSA-N 406.320 5.163 0 40 HKAB O=C(Cc1ccc(F)cc1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 10020476 IUISAKBGARUUBC-UHFFFAOYSA-N 411.889 5.260 0 40 HKAB O=c1c2c(C3CC3)csc2nc(SC[C@@H](O)c2ccccc2)n1-c1ccccc1 10202100 FFLVQAULXBPDGZ-LJQANCHMSA-N 420.559 5.150 0 40 HKAB O=C(CCCc1nc2ccccc2s1)Nc1ccc(-c2cn3ccccc3n2)cc1 10321952 DWWYILMRGKMQGN-UHFFFAOYSA-N 412.518 5.572 0 40 HKAB Cc1nc(NC(=O)CC(c2ccccc2)c2ccccc2)sc1-c1nccn1C 12548101 DAUIOXLQVYIYFY-UHFFFAOYSA-N 402.523 5.013 0 40 HKAB C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1ccccc1-c1ccccc1 12679062 BHTJSQXNFGNKOC-HNNXBMFYSA-N 419.481 5.662 0 40 HKAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)Nc2cccc3c2CCCC3)cs1 12786816 FQCFOLMWFWKHRY-CCEZHUSRSA-N 417.534 5.358 0 40 HKAB O=C(O)c1ccc(-n2c(/C=C/c3ccc4ccccc4c3)nc3ccccc3c2=O)cc1 13087068 BZHUTPPIGZFJFB-MHWRWJLKSA-N 418.452 5.408 0 40 HKAB CCCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 13590891 CLNXQQQSJMXFRT-TXFWVUOCSA-N 423.512 5.262 0 40 HKAB biogenic C[C@@H](NC(=O)CSc1ccc2ccccc2c1)c1ccc(Br)cc1 14183386 ZJAFJXJAOZGJGJ-CQSZACIVSA-N 400.341 5.572 0 40 HKAB COc1cc(Cl)cc2c1OC=CC(C(=O)NC(c1ccccc1)c1ccccc1)=C2 15838710 BWDMOPKBEMOUKU-UHFFFAOYSA-N 417.892 5.544 0 40 HKAB Cc1cc(-c2ccco2)c2c(N)c(C(=O)c3ccc(Br)cc3)sc2n1 16268691 FCEHIXZXWMBWOI-UHFFFAOYSA-N 413.296 5.440 0 40 HKAB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccccc3Cl)cc2Cl)CC1 17092942 VWJPYSZOLNGBCE-UHFFFAOYSA-N 422.381 5.357 0 40 HKAB C[C@H]1CCCN(c2ccc3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3n2)C1 17245594 HHMHICNJVYYRKD-INIZCTEOSA-N 409.917 5.142 0 40 HKAB O=C1c2cc(Cl)c(Cl)cc2C(=O)N1c1ccc(-c2cnc3ccccc3n2)cc1 18195232 XHAYKTLSOZVAJX-UHFFFAOYSA-N 420.255 5.404 0 40 HKAB CCCC(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1 19501006 HCXDAYPAMNKQBJ-UHFFFAOYSA-N 411.571 5.042 0 40 HKAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2csc(C)c2)n1 19525575 QNSIHBDLBDHWPK-HXUWFJFHSA-N 406.555 5.228 0 40 HKAB O=C1C[C@@H](c2ccco2)Cc2c1c(Nc1ccc(Cl)cc1)nn2-c1ccccc1 19817273 MJDDZDOHCRKIID-HNNXBMFYSA-N 403.869 5.775 0 40 HKAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1ccc(C)cc1C 21524494 PAAODZPIGHHBBY-HSZRJFAPSA-N 405.542 5.196 0 40 HKAB C[C@H](OC(=O)c1ccccc1SCc1cscn1)C(=O)c1c[nH]c2ccccc12 22524768 OXEYGFPSZITCOR-AWEZNQCLSA-N 422.531 5.345 0 40 HKAB COc1ccc(C)cc1CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 22926728 CSAFXUWXZIZOAX-UHFFFAOYSA-N 422.519 5.189 0 40 HKAB Fc1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 36056438 RBXLXPAHENRLEG-PDJLYPKISA-N 400.472 6.766 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 44855428 UBJHGPYOOZQIBJ-WMZHIEFXSA-N 406.570 5.259 0 40 HKAB O=C(O)C/C(=C/c1ccc(OCc2cscn2)cc1)c1nc2ccccc2s1 45866002 LJJOGCULIVUVOX-DHDCSXOGSA-N 408.504 5.347 0 40 HKAB CN1C[C@@H](C(=O)c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 52530370 GUAHHIHOYRGRSC-VJBWXMMDSA-N 403.909 5.325 0 40 HKAB O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCCc1ccc(F)cc1 58067535 VWFXGFCCQZBYKK-QHCPKHFHSA-N 413.945 5.661 0 40 HKAB CC(=O)N1N=C(c2cccs2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccsc1 69375011 CWATYFOZPIZQBX-FQEVSTJZSA-N 418.547 5.360 0 40 HKAB CC1(C)[C@H]2C[C@H](C(=O)O)[C@](C)(NC(=O)OCC3c4ccccc4-c4ccccc43)[C@@H]1C2 72481829 KGKJQXNBHQWLCK-BHWIVQFVSA-N 419.521 5.051 0 40 HKAB O=C(Nc1cccc(F)c1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96037735 AFODHGMCEPPZLF-UHFFFAOYSA-N 412.468 5.414 0 40 HKAB CCCOc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)c1 102879242 IUBLVRNQIHKOIU-VWLOTQADSA-N 418.537 6.288 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl 107042299 SNFSOTSIMXVLOJ-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB CC(C)Oc1ccc(CNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 219771643 DCCCTWCJPQIQOH-UHFFFAOYSA-N 409.913 5.636 0 40 HKAB Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223394057 MTMYQDDBOOOZAJ-RPBOFIJWSA-N 424.573 5.353 0 40 HKAB S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1ccc(Br)cn1 223975615 PESCZIXMRSDHIR-UHFFFAOYSA-N 424.795 5.296 0 40 HKAB O=C(NCCSC1CCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1 224252094 LHLFIQPXBAYMSU-UHFFFAOYSA-N 406.016 6.038 0 40 HKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)c1 224549709 IFPLEDXPMWFTDT-GOTSBHOMSA-N 418.566 5.184 0 40 HKAB CCCCn1c(SCc2ccccc2F)nc2c(-c3ccccc3)c[nH]c2c1=O 225547909 VNMLZWJYNRFRAU-UHFFFAOYSA-N 407.514 5.623 0 40 HKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225846149 VVHGDKOCUMYBSW-SBUREZEXSA-N 407.551 5.355 0 40 HKAB COc1ccccc1-c1ccccc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(C)=O 257258800 KVPKGMAXDBENPZ-HZJIUQSWSA-N 419.565 5.381 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3c(OC)ccc4ccc(OC)cc34)N21 260781565 TUBNMWJDQIQYRE-AVIJNYRZSA-N 419.550 5.231 0 40 HKAB Cc1ccc(CSCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 408564610 YSVILDCWUHNQNE-UHFFFAOYSA-N 409.938 5.751 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(Cl)ccc3C)n2)cc1 408693605 AWBZBLLTRUEYQJ-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CCCOc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Br 409135551 RBOZNJMIYGXJKQ-UHFFFAOYSA-N 412.327 6.642 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2ccccc2)cc1 409378240 NWQOMFMKBNHBTH-OAQYLSRUSA-N 406.507 5.033 0 40 HKAB CC(C)c1nc(COc2ccc(Cl)cc2)c(C(=O)O)cc1-c1cccc(Cl)c1 585265517 RVEZSQSGKOPFAH-UHFFFAOYSA-N 416.304 6.456 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4[C@H](O)[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1529051476 CZDKQKOAHAICSF-OTOIVMJZSA-N 402.663 6.360 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)oc2c1 865346 WWARQLVLBYSTKG-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB Cc1ccc(-c2csc(N(CCc3ccccc3)C(=O)c3ccccc3F)n2)cc1 932680 XSJOZAIQKBYQLO-UHFFFAOYSA-N 416.521 6.147 0 40 HKAB C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1nc2ccccc2s1 1006364 NHJSBSYDIAHWHL-QMMMGPOBSA-N 401.702 5.663 0 40 HKAB Cc1cc(C)c2cc(CN(C(=O)Nc3ccc(F)cc3)C3CCCCC3)c(=O)[nH]c2c1 1371247 UWMCCJHSUGSAKK-UHFFFAOYSA-N 421.516 5.651 0 40 HKAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc2oc3ccccc3c2c1 1428860 NNZSSGZDVFWUNI-XMMPIXPASA-N 423.472 5.788 0 40 HKAB Fc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Br)s2)cc1 1441321 CKAQPKHHHBPMPH-CYBMUJFWSA-N 403.367 5.094 0 40 HKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCCOc1ccccc1C 1772519 WSUDXVSGNAULHQ-UHFFFAOYSA-N 423.534 5.698 0 40 HKAB CC(=O)C1=NN(c2ccc(C)cc2)[C@H](c2c[nH]c3ccccc23)N1c1ccc(F)cc1 1813814 BLOIOEJSTVAHGU-RUZDIDTESA-N 412.468 5.543 0 40 HKAB CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1 2188253 QTJPICRSQJJGCN-JCMHNJIXSA-N 413.473 5.317 0 40 HKAB CCCCCOC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc12 2420363 RITVIGGESFVKDE-UHFFFAOYSA-N 402.498 5.120 0 40 HKAB CSC(=O)c1c(C(F)F)nc(C(F)(F)F)c(C(=O)SC)c1CC(C)C 2564885 YUBJPYNSGLJZPQ-UHFFFAOYSA-N 401.422 5.243 0 40 HKAB in-vitro CCCCCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(C)cc1 2721746 HFKOEQCFEUFQHE-UHFFFAOYSA-N 407.582 5.827 0 40 HKAB O=C(N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl 3106841 HEEWLFGIMHSXCF-CQSZACIVSA-N 412.531 5.532 0 40 HKAB O=C(CCCc1c[nH]c2ccccc12)Nc1nc(-c2ccco2)c(-c2ccco2)s1 3422228 NINVRKUHHYFZGR-UHFFFAOYSA-N 417.490 6.106 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)OCC(=O)c1ccc(Br)cc1 3429255 RCCNPAWCHILNDV-XBXARRHUSA-N 414.082 5.195 0 40 HKAB CC[C@](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)(C(=O)c1ccccc1)c1ccccc1 3846426 WIASCYIKGZAQQR-ZCIWVVNKSA-N 406.566 6.221 0 40 HKAB biogenic CCCCCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3o2)cc1 4194684 GUXIZDJZZQEHJF-UHFFFAOYSA-N 400.478 6.316 0 40 HKAB COc1cccc(C(=O)N(Cc2cccnc2)c2nc3cc(C)c(C)cc3s2)c1 4304978 YQDFCBVXKHBZCF-UHFFFAOYSA-N 403.507 5.164 0 40 HKAB CCCCNC(=O)c1ccccc1NC(=O)c1c(-c2ccccc2Cl)noc1C 4783149 OEOXMGGFUZGWHS-UHFFFAOYSA-N 411.889 5.086 0 40 HKAB O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1cccc(Cl)c1 5165459 VHPNJAHLAXXTCA-UHFFFAOYSA-N 406.894 6.508 0 40 HKAB CC(=O)N(c1nc(CSc2ccc3ccccc3n2)cs1)c1ccccc1F 5626716 ZJEGJFVTGNWRNM-UHFFFAOYSA-N 409.511 5.807 0 40 HKAB Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3cccs3)c3c(c12)CCCC3 6399707 BFUGNIBFAMXCIF-UHFFFAOYSA-N 405.548 5.738 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 6940250 CUEUJGKJWSYXAB-INIZCTEOSA-N 420.475 5.837 0 40 HKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC)c(C(C)C)c3)ccc21 7360592 YIARFPHURUCUQQ-UHFFFAOYSA-N 422.550 5.747 0 40 HKAB O=C(CSc1ccccc1)Nc1nc(-c2cc(Cl)sc2Cl)cs1 7511586 LVRPGPXBFHPIFB-UHFFFAOYSA-N 401.365 5.909 0 40 HKAB Cc1ccc(Cn2c([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)nc3ccccc32)cc1 7542831 PHYSRPPFYLHGIO-LJQANCHMSA-N 415.924 5.567 0 40 HKAB Cc1ccc(C)c(C(=O)CCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 8086364 FJHITTAMIBWVCP-UHFFFAOYSA-N 406.551 5.282 0 40 HKAB COc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F 8470501 FGYFWTLQOPLKBU-UHFFFAOYSA-N 403.856 5.496 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2ccccc2Cl)CC1 9063195 UJZPFEWVCKLMJF-UHFFFAOYSA-N 420.940 5.983 0 40 HKAB Clc1cc(Cl)cc(-c2ccc(C3=Nn4c(nnc4-c4ccco4)SC3)o2)c1 9127527 PGGBIDZFHQVDQG-UHFFFAOYSA-N 417.277 5.463 0 40 HKAB C[C@H](Sc1nc2ccccc2o1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 9684476 JQLWNJQFDQJZIX-JTQLQIEISA-N 417.462 5.349 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccsc2)cc1 10215101 WKXCHRKDEFDEGC-RBBKRZOGSA-N 410.926 6.043 0 40 HKAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(C(C)C)cc1 10314395 OUEWHDQSDKJOQN-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB O=C(Cc1csc(-c2cccc(Cl)c2)n1)OCc1cn2cc(Cl)ccc2n1 10398227 AHDPHVBSYQWCTR-UHFFFAOYSA-N 418.305 5.051 0 40 HKAB Cc1cccc(C)c1N1C[C@H](c2nc3ccccc3n2CCc2ccccc2)CC1=O 11692468 CXVBUMOZTXBQLD-JOCHJYFZSA-N 409.533 5.416 0 40 HKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1Cl 12179183 LWSBJVFIUDDROX-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 12535716 LMEIXNFWUHXPLD-STQMWFEESA-N 406.864 5.548 0 40 HKAB CC(=O)N(c1nc(/C=C/c2nc3ccccc3s2)cs1)c1c(C)cccc1C 13002241 LBLKQKWCZIBDHL-VAWYXSNFSA-N 405.548 6.225 0 40 HKAB O=C(NCc1ccc(Cl)c(Cl)c1)N1c2ccccc2Sc2ccccc21 13574603 PFUPZAIOTSZUDB-UHFFFAOYSA-N 401.318 6.506 0 40 HKAB COc1ccc(-c2nc(CNC(=O)c3oc4cc(C)c(C)cc4c3C)cs2)cc1 15832776 WUMYHMKSANYDGA-UHFFFAOYSA-N 406.507 5.420 0 40 HKAB COc1ccc(C(=O)C[C@@H](Nc2ccc(C)cc2)c2ccc(Br)cc2)cc1 16293156 RBNRQYUUULFAJI-JOCHJYFZSA-N 424.338 6.192 0 40 HKAB O=Cc1cn(CC(=O)Nc2cccc3ccccc23)c2ccc(Br)cc12 17087600 LYSLOXINWOLDKB-UHFFFAOYSA-N 407.267 5.008 0 40 HKAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN2C(=O)CC2CCCC2)n1 19689415 HDAKQVYTWALMEW-FQEVSTJZSA-N 412.965 5.107 0 40 HKAB Cc1nc(-c2cccs2)c(CCC(=O)N2CCC(Cc3ccccc3)CC2)s1 19819609 ZAMNZHVJIHAMAU-UHFFFAOYSA-N 410.608 5.594 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 20451920 WIJGJTBXCLNFNB-XNMGPUDCSA-N 409.529 6.211 0 40 HKAB O=C1c2cccc3cccc(c23)N1CN1CCc2sccc2[C@@H]1c1cccs1 23855510 AQVSHKQPFTZPKJ-JOCHJYFZSA-N 402.544 5.528 0 40 HKAB CC(C)(C)OC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 25422681 HGBFIYFKZPWGNW-UHFFFAOYSA-N 422.472 5.537 0 40 HKAB Cc1nc(C)c(-c2nnc(SCC(=O)c3ccc(C(C)C)cc3C(C)C)o2)s1 27059663 FOGZERPNOMKWLF-UHFFFAOYSA-N 415.584 6.032 0 40 HKAB COc1ccc(N[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC(F)F 29720693 IGLIAXILIJPKHF-SECBINFHSA-N 405.228 5.043 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(NC(=O)COc4cc(C)cc(C)c4)cc3)n2)cc1 32623175 OWJPWJKTYWPANI-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)c1 32623204 NMPDAFCFDFOKNV-UHFFFAOYSA-N 417.440 5.177 0 40 HKAB COc1ccc(CCc2cccnc2)cc1Oc1ccc(CCc2cccnc2)cc1 35973533 QVMZOCPEMFBHIF-UHFFFAOYSA-N 410.517 5.848 0 40 HKAB Cc1ccc(-c2nnc([C@H](C)OC(=O)Cc3csc(-c4cccc(F)c4)n3)o2)cc1 36712696 QQHPRHHGCHVNOT-AWEZNQCLSA-N 423.469 5.155 0 40 HKAB COc1ccc(/C=C(/C(=O)NCc2ccc(-n3ccnc3C)cc2)c2ccccc2)cc1 44848654 JONADBRLNFWGCZ-NLRVBDNBSA-N 423.516 5.046 0 40 HKAB COc1ccc(-c2ccc(CN3CCCC[C@H]3CCN3CCC(C)CC3)cc2)cc1 57775521 GVKWYLOOINKHBB-SANMLTNESA-N 406.614 5.839 0 40 HKAB COc1ccccc1CNC(=O)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 64472771 OBZZKPYCXVLEPE-UHFFFAOYSA-N 422.937 5.798 0 40 HKAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4ccc(C)c(C)c4)c(C)c3s2)n1 72228648 NSJSEVNCDCLHKE-UHFFFAOYSA-N 404.539 5.585 0 40 HKAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)c4scnc4C)C3)c2)c1 72354039 MLXNAHDUNFFMGE-NRFANRHFSA-N 405.567 5.074 0 40 HKAB Cc1ccc(Cc2cccc([C@@H]3CCCN3C(=O)Cc3c[nH]c4ccccc34)n2)cc1 72358016 QNPSUKPBBFEZMV-SANMLTNESA-N 409.533 5.368 0 40 HKAB O=C(CCc1cccc(Cl)c1)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1 72375631 JKIKMZJZANYGDH-GOSISDBHSA-N 412.946 5.231 0 40 HKAB Cc1cccc(NC(=O)[C@H](Sc2nnc3sc4ccccc4n23)C(C)C)c1C 84218648 HPXRYMPYLAZRHT-GOSISDBHSA-N 410.568 5.316 0 40 HKAB O=C(NNc1ccc(F)c(F)c1F)c1ccc(-c2cccc(C(F)(F)F)c2)o1 84367191 CJZCALKQPRNHOI-UHFFFAOYSA-N 400.278 5.140 0 40 HKAB CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(CC(C)C)cc4)cs3)C(=O)[C@@H]21 102196422 JESHWTBYGPEYMA-UBBRYJJRSA-N 420.578 5.490 0 40 HKAB CCCCc1ccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cnc(Cl)n2)(C4)C3)cc1 102834191 SLZOIJGFWZVJJJ-FFACFXHASA-N 412.965 5.208 0 40 HKAB Cc1ccccc1[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 216298440 YAMUSNSRVZFGRT-GDLZYMKVSA-N 405.541 6.423 0 40 HKAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 219684247 LIQZAVHXDGGWDR-HNNXBMFYSA-N 424.294 5.086 0 40 HKAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 222641345 KUEHDVYTSINYDZ-UHFFFAOYSA-N 417.549 5.497 0 40 HKAB O=C(Cc1cccc(Br)c1)N[C@H]1CC2(CCCCC2)Oc2ccccc21 225611562 NMRSJMDRFPCEMN-IBGZPJMESA-N 414.343 5.335 0 40 HKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCC2 225632737 DRICJLGZXWJWBE-UHFFFAOYSA-N 407.897 6.272 0 40 HKAB CN(C[C@@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1)C1CCCCC1 226069666 LCIWUYFHXJRBEI-HSZRJFAPSA-N 419.650 5.421 0 40 HKAB Cc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccc(F)cc2Br)o1 226756394 AUBYTYUCLGZPON-UHFFFAOYSA-N 423.669 5.645 0 40 HKAB O=C(c1nccc2ccccc12)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257307057 SXAMXJKOVLYIMI-QFIPXVFZSA-N 415.468 5.320 0 40 HKAB CCCOc1c(Cl)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC 408557073 LYDFCOYQQYTNHR-IBGZPJMESA-N 412.338 5.569 0 40 HKAB CCCOc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 408600748 FVVFWCQDNFVELP-WOJGMQOQSA-N 422.333 6.019 0 40 HKAB Cc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 408615413 QBKVKCYQXRXAFX-UHFFFAOYSA-N 400.522 5.475 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(F)cc2)c1 408693588 AMRMGJGKDGAQDW-UHFFFAOYSA-N 414.484 5.559 0 40 HKAB O=C(Nc1ccc2sc(C(=O)N3CCCC3)cc2c1)c1cccc(C(F)(F)F)c1 408712911 AZPXSRFUXRQMTP-UHFFFAOYSA-N 418.440 5.408 0 40 HKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)c2ccccc21 409111664 BWAMGBMXIMPPQA-JCMHNJIXSA-N 417.480 5.711 0 40 HKAB COc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c2ccccc12 409129023 QISISTXLOQSZCK-CJLVFECKSA-N 403.503 5.518 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 827111 ZYPHQUYVUANQBB-UHFFFAOYSA-N 424.741 5.053 0 40 HKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2)n2c(nc3ccccc32)N1 1068727 QMEZZXYJEPZUTG-JOCHJYFZSA-N 414.896 5.617 0 40 HKAB Cc1cc(C)c2cc(CN(Cc3ccccc3)C(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 1366394 HHRTWEXYKJOIKH-UHFFFAOYSA-N 414.480 5.127 0 40 HKAB COc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1OC 1385514 QHAGVGQANNFIIX-UHFFFAOYSA-N 423.321 5.695 0 40 HKAB Cc1cc2oc(=O)c(CC(=O)O)c(C)c2c2occ(-c3ccc(-c4ccccc4)cc3)c12 2113460 RNURHNBSFDWTEB-UHFFFAOYSA-N 424.452 6.117 0 40 HKAB biogenic O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 2256686 SONHSJZAAQUCSG-CIAFOILYSA-N 407.828 5.403 0 40 HKAB CC(C)(C)c1ccc(Oc2ncccc2C(=O)N2CCN(c3ccccc3)CC2)cc1 2381088 CWAGONXGMALADR-UHFFFAOYSA-N 415.537 5.134 0 40 HKAB CC1(C)CCC(C)(C)c2cc(-c3csc(-c4cc(Cl)nc(Cl)c4)n3)ccc21 2383535 WQLLHTCEFBXCQG-UHFFFAOYSA-N 417.405 7.528 0 40 HKAB Cc1cccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)c1C 3012985 GCRGIYCKHZDQSK-NVXWUHKLSA-N 404.392 5.006 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 3351703 HNWMJUHLGBFGDI-CQSZACIVSA-N 420.513 5.572 0 40 HKAB CCCCCCc1c(C)c2cc(Cl)c(OCc3ccc(OC)cc3)cc2oc1=O 4043544 WEXXILXJUQHIAN-UHFFFAOYSA-N 414.929 6.465 0 40 HKAB biogenic O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CC12CC3CC(CC(C3)C1)C2 4199620 LMUGMGXUCDYYGJ-RLJAIPBVSA-N 423.556 5.095 0 40 HKAB COc1cccc(NC(=O)[C@H](Sc2nc3ccc(OC)cc3[nH]2)c2ccccc2)c1 4252198 OLYSGMSMPPCCJE-OAQYLSRUSA-N 419.506 5.052 0 40 HKAB Fc1ccccc1CSc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 4711750 XVVDUWRHTXFCLY-UHFFFAOYSA-N 403.486 5.790 0 40 HKAB CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cccc4ccccc34)=NN12 4860337 AZDLYSBFWZXLKW-VWLOTQADSA-N 411.549 5.584 0 40 HKAB C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ncc(Cc2ccccc2)s1 5235463 NRIAUPZYCXQQSN-ZDUSSCGKSA-N 411.577 5.463 0 40 HKAB CCCNC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 6879926 JEJBQAGCBNUTMZ-HEHNFIMWSA-N 418.924 5.659 0 40 HKAB CCSc1ccccc1C(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C 7684458 ROLVJPSKDPWLFK-UHFFFAOYSA-N 415.946 5.553 0 40 HKAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)c1c[nH]c2ccccc12 7844457 ABZGHQWLVLAMDI-ZDUSSCGKSA-N 408.552 5.110 0 40 HKAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCCC[C@H]1c1nc2ccccc2s1 8340086 HULJZIKZKUEJHE-FPOVZHCZSA-N 422.550 5.222 0 40 HKAB COc1cc(CNC2CCCCCCC2)cc(Cl)c1OCc1ccccc1Cl 8470406 KULAVNHUGKBXFP-UHFFFAOYSA-N 422.396 6.784 0 40 HKAB Cc1ccc(C(=O)C[C@H](c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 8475345 OHZCTPVYQBIBFP-HSZRJFAPSA-N 412.938 5.745 0 40 HKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 8500096 YLHAYZWEPPDKAI-HXUWFJFHSA-N 416.304 6.582 0 40 HKAB Cc1csc(SCc2c(C(=O)Nc3ccc4c(c3)OCO4)oc3ccccc23)n1 9256735 CTMQNIIKWRKNLD-UHFFFAOYSA-N 424.503 5.471 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccs3)c3ccc(C)c(C)c3)cc2c1 9462902 COOOTZNESIPLOO-UHFFFAOYSA-N 402.519 5.362 0 40 HKAB C[C@@H](Sc1nc2ccccc2n1C(F)F)C(=O)Nc1ccc(Cl)cc1Cl 9468524 VICHEGCJXWTGAY-SECBINFHSA-N 416.280 5.858 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 10314665 KQYFKBXMKFURDJ-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CC(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc45)=NN23)cc1 12436634 PBJNLUYKGSEFIB-PXJZQJOASA-N 418.540 7.206 0 40 HKAB COc1ccc(CN(C)Cn2nc(Nc3ccc(C)c(C)c3)sc2=S)cc1 12594502 SLKSGPTYHXWDJE-UHFFFAOYSA-N 400.573 5.133 0 40 HKAB CCCc1ccc(-c2csc(NC(=O)CSc3nc4cc(C)ccc4[nH]3)n2)cc1 12620637 SGWBBLUDLFDLJJ-UHFFFAOYSA-N 422.579 5.678 0 40 HKAB CC(=O)c1cccc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)c1 12651444 SESDKGNWAYWFOE-UHFFFAOYSA-N 403.265 5.070 0 40 HKAB COc1cc2c(cc1NC(=O)Cc1c(C)nn(CC(C)C)c1C)oc1ccccc12 12861109 KCDLLBWFQWYSNO-UHFFFAOYSA-N 405.498 5.245 0 40 HKAB CCCCc1ccc(C(=O)OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1 12902929 GOJNZGHUJNEQKZ-UHFFFAOYSA-N 413.823 5.497 0 40 HKAB CN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 12911914 JBNRTNREJLQXIJ-LJQANCHMSA-N 411.910 5.128 0 40 HKAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1c(Cl)cccc1Cl 12921544 KCMLXRXZRURZMN-IBGZPJMESA-N 423.390 5.703 0 40 HKAB O=C(c1ccccc1)[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 13145883 MQIINXYXGRLFTO-QHCPKHFHSA-N 422.513 5.532 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccc2ccccc12 13954923 HYJUGYORPWRCHE-UHFFFAOYSA-N 414.917 7.022 0 40 HKAB Cc1ccccc1C(=O)Oc1c(Br)cc(Br)c2cccnc12 15134438 JTUVZPBERQPYFZ-UHFFFAOYSA-N 421.088 5.287 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 17093370 WXPFRDHPZRDIMT-UHFFFAOYSA-N 422.937 6.658 0 40 HKAB Cc1cc(NC(=O)[C@H](Sc2ncnc3sc(C)c(C)c23)c2ccccc2)no1 17231011 BOKUVGNHBIEZLN-QGZVFWFLSA-N 410.524 5.077 0 40 HKAB C[C@H](NC(=O)C1CCN(C(=O)c2cccs2)CC1)c1ccc(-c2ccccc2)cc1 17959894 PLFPVBJFGICOAG-SFHVURJKSA-N 418.562 5.145 0 40 HKAB C[C@H](C(=O)c1c[nH]c2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20480016 NHNZAVDTBQWIPM-OAQYLSRUSA-N 423.560 5.146 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 20571685 RLTLBBSHGGPZSK-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccc(C)cc2C)CC1=O 21524525 JXXZCBCCTWLIHR-NRFANRHFSA-N 419.569 5.238 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1Cl 21579122 QAMDLBCXAKZDAF-UHFFFAOYSA-N 422.868 5.808 0 40 HKAB COc1cc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)c(OC)cc1Cl 22246081 OJIZYLREZBINHS-UHFFFAOYSA-N 421.881 5.257 0 40 HKAB c1cncc(-c2nc(Sc3nnc4sc5ccccc5n34)c3ccccc3n2)c1 22530129 IGMNHXIKLCXQSD-UHFFFAOYSA-N 412.503 5.100 0 40 HKAB Cc1c(C(=O)N(Cc2ccco2)Cc2ccco2)oc2ccc(Br)cc12 28231947 LXBWLRKSVLXINV-UHFFFAOYSA-N 414.255 5.532 0 40 HKAB Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3ccc(F)c(Cl)c3)c(N)c12 32117766 SGTQCCJNQPXMSJ-UHFFFAOYSA-N 403.788 5.251 0 40 HKAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 39748152 VLSDLIGZNDOBFW-UHFFFAOYSA-N 400.522 5.638 0 40 HKAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(Cl)cc1)OCN(Cc1ccco1)C3 54313265 DDPWQIRJCNGONL-UHFFFAOYSA-N 407.853 5.367 0 40 HKAB biogenic Cc1cc(F)ccc1NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1C(C)C 57291674 HCQGNPAXGOUXGJ-UHFFFAOYSA-N 424.501 5.451 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3c(C)oc(C)c3Br)sc2C)cc1 57986216 CWXGYPGLKGOECP-UHFFFAOYSA-N 421.316 5.352 0 40 HKAB O=C(CSCc1cccc(Br)c1)Nc1ccc(C(F)(F)F)cc1 57991750 QICWKGDQNRCLIN-UHFFFAOYSA-N 404.251 5.340 0 40 HKAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1cccc(Oc2ccccc2)c1 58160517 INGKECXHUODDEX-UHFFFAOYSA-N 408.501 5.797 0 40 HKAB Nc1c(Cl)cc(NC(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)cc1Cl 69460787 ZLELZSZKNVEILY-UHFFFAOYSA-N 415.202 5.032 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)c2C(=O)OC)C1 102839178 VCKNNLPQBAONOU-JKQORVJESA-N 403.588 5.451 0 40 HKAB Cc1cc(-c2csc(NC(=O)[C@]3(C)CC(c4ccccc4F)=NO3)n2)c(C)s1 141566113 AUZQCFWASOXQCP-FQEVSTJZSA-N 415.515 5.149 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219349502 KPGXGPXYBWTOJZ-DHIUTWEWSA-N 403.522 5.724 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)NCCOc3ccccc3Cl)cc2)cc1 223457649 JJOORUTXFDHLQX-UHFFFAOYSA-N 411.954 5.750 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 223529552 UQHNDLTWONMNNM-XZOQPEGZSA-N 417.549 6.196 0 40 HKAB C[C@@H]1CCCN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCC3)cn2)C1 223973683 GFGYQDAJFCPEDR-LJQANCHMSA-N 408.615 5.116 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccc(Cl)cc1 224158249 MGLZFWUIJDYKEQ-UHFFFAOYSA-N 403.812 5.458 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 224210090 CCLCBINVJHOVNN-DNQXCXABSA-N 410.546 5.358 0 40 HKAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccccc2F)CCCC1 225515688 PVPWKOBDGPSERH-UHFFFAOYSA-N 410.533 5.141 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c2cccnc12 225863796 NGERGOHUTMUJDD-UHFFFAOYSA-N 422.956 6.374 0 40 HKAB C[C@@H]1C[C@H]2CC[C@@]1(NC(=O)CCCCC(=O)N[C@H]1C[C@H]3CC[C@@]1(C)C3(C)C)C2(C)C 245231699 ISINGHVAECMBPX-BTGILRMESA-N 416.650 5.209 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2cccc(C)c2)cc1 408693748 CZAGXIJWHKYLJK-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB O=C(Nc1ccc(N2Cc3ccccc3C2)cc1)c1sc2ccccc2c1Cl 408973987 SSOBIMLQMMNOBN-UHFFFAOYSA-N 404.922 6.327 0 40 HKAB COc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=C3SC=C(C)N32)ccc1C 408987270 FLLPTWDWPBQHOT-NRFANRHFSA-N 405.523 5.237 0 40 HKAB Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1Br 2362797698 IJCJINGLKBZHDG-UHFFFAOYSA-N 422.713 6.289 0 40 HKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NCCC1=CCCCC1 648598 JKPDIPRXLZYMDG-UHFFFAOYSA-N 404.941 6.484 0 40 HKAB COc1ccc2oc(=O)c(-c3nnc(Nc4cccc(C(F)(F)F)c4)s3)cc2c1 856284 BKYPDWFINCTGRE-UHFFFAOYSA-N 419.384 5.083 0 40 HKAB CCOc1ccc2cc3c(N)c(C(=O)Nc4ccc(C(C)C)cc4)sc3nc2c1 891595 JBBSKKMUFFPUGM-UHFFFAOYSA-N 405.523 5.806 0 40 HKAB COc1ccccc1NC(=O)CSc1nnc(C2CCCCC2)n1-c1ccccc1 892191 RQEUPQIKUCZLRN-UHFFFAOYSA-N 422.554 5.054 0 40 HKAB O=C(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1ccc(C(F)(F)F)cc1 1078136 MHRGWUKHDVZYLM-UHFFFAOYSA-N 409.363 5.935 0 40 HKAB CCCCCC[C@H](C)c1ccccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 1600933 ZMUKFOGGEIEQIC-HNNXBMFYSA-N 415.382 6.835 0 40 HKAB C[C@@H](NC(=O)c1cccc(COc2ccc(Br)cc2)c1)c1ccccc1 2115209 ZIHPONDZXVGXIB-MRXNPFEDSA-N 410.311 5.519 0 40 HKAB CC(C)OC(=O)c1c(N)n(-c2cc(Cl)cc(Cl)c2)c2nc3ccccc3nc12 2193729 GTFPRWHVLMOIIU-UHFFFAOYSA-N 415.280 5.028 0 40 HKAB CC(C)Oc1ccc(-c2nc(Nc3ccc(Cl)cc3Cl)c3ccccc3n2)cc1 2237002 MRHCEIATTRRBQG-UHFFFAOYSA-N 424.331 7.134 0 40 HKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1c1ccc(Cl)cn1 2421196 MHUDHOCYWXUXFD-LJQANCHMSA-N 423.255 5.245 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccc(Br)c4)ccc3o2)cc1C 3025354 ZYDRVJXQYDQWGT-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB COc1ccc(/C=C2/SC(=O)N(CNc3cc(Cl)ccc3Cl)C2=O)cc1 3044195 VAJSZQTVJSGRKJ-LZYBPNLTSA-N 409.294 5.108 0 40 HKAB O=C(CCCCC(=O)Nc1nc2ccccc2s1)Nc1nc2ccccc2s1 3069130 NWAKHLMKVNSXED-UHFFFAOYSA-N 410.524 5.044 0 40 HKAB O=C(Oc1ccc(OC(=O)c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1 3090080 ASSPERCBYBQGMQ-UHFFFAOYSA-N 418.448 6.431 0 40 HKAB biogenic O=C(CCCSc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1 3407632 YCBIGBJUICSXQH-UHFFFAOYSA-N 418.381 6.328 0 40 HKAB CSc1ccccc1-c1nnc(SCc2ccc(C)cc2)n1-c1ccccc1 4053344 IDLVLJDLHXWVST-UHFFFAOYSA-N 403.576 6.257 0 40 HKAB COc1cc2c(cc1OCc1ccccc1)-c1nnc(-c3ccccc3)n1C(C)(C)C2 4546137 WCCYPDJTNWIKKM-UHFFFAOYSA-N 411.505 5.491 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2cccs2)c1 4616845 WCHPYALTHNXRKW-UHFFFAOYSA-N 402.928 5.385 0 40 HKAB COc1ccccc1NC(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 4782973 OPYKEYBFEHDLJR-UHFFFAOYSA-N 406.486 5.112 0 40 HKAB CCCCSc1nc2c(c(=O)n1-c1ccccc1)[C@](C)(CC)Cc1ccccc1-2 4900446 VLGQGDUQOLAJKS-RUZDIDTESA-N 404.579 6.016 0 40 HKAB Cc1ccc(-n2nc(-c3ccccc3)c3cnc4cc(C(F)(F)F)ccc4c32)cc1C 4970003 LPNZRZVIZRQWMF-UHFFFAOYSA-N 417.434 6.876 0 40 HKAB O=C(c1ccc(F)cc1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 5444559 NKELGKZCMVRODQ-LTXCWQKFSA-N 410.492 6.263 0 40 HKAB CC[C@H](C)NC[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C)ccc21 5610922 UVKPBZRFTXPAQX-XUZZJYLKSA-N 412.577 6.033 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)C(Cl)(Cl)Cl 5876802 VILUYZNNCJPLPF-UHFFFAOYSA-N 406.121 5.925 0 40 HKAB COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(-c3ccc4ccccc4c3)c2)cc1 6181820 JBHHNDYEEJODNY-UHFFFAOYSA-N 421.927 7.898 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)C(C)(C)C)c3)nc2c1 6242985 DOBLPZMTCQKZPH-CQSZACIVSA-N 409.555 5.867 0 40 HKAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O 6629546 JKAHYFIRWZNNMI-MHWRWJLKSA-N 409.338 5.847 0 40 HKAB C[C@H](NCc1ccc(-c2ccc(Cl)cc2Cl)o1)C12CC3CC(CC(C3)C1)C2 7538743 SVMMIANTOXUSTL-NSDYXAQKSA-N 404.381 6.948 0 40 HKAB CC(=O)c1sc(NC(=O)c2c(-c3ccccc3)noc2C)nc1-c1ccccc1 7799885 XTZJMEJLZQHPFH-UHFFFAOYSA-N 403.463 5.228 0 40 HKAB COc1cc(/C=C/C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc(Cl)c1OC 8347250 TWUQEKUYMRMJDU-LXKVQUBZSA-N 416.930 5.200 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1sc(-c2ccccc2)nc1C(F)(F)F 8781912 FFZASIDHDGENKO-UHFFFAOYSA-N 416.346 6.100 0 40 HKAB Clc1ccccc1/C=C/c1nc2c(Oc3ccccc3)cccc2c2c1CCS2 8873163 URMLRQGKYQHVOZ-BUHFOSPRSA-N 415.945 7.499 0 40 HKAB Cc1sc2nc(CN3CCC(C)CC3)nc(Sc3nnc(C(C)C)o3)c2c1C 9885034 DFKOVSBKHXWVJB-UHFFFAOYSA-N 417.604 5.198 0 40 HKAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)COc3ccc(Br)cc3)sc2C1 11917322 DJFFQJROYKVNOH-GFCCVEGCSA-N 423.376 5.074 0 40 HKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1SC 12732297 LEOKRIRITSGAQJ-UHFFFAOYSA-N 401.919 5.164 0 40 HKAB CCS(=O)(=O)c1ccc2oc(Nc3ccc(Cl)c(C(F)(F)F)c3)nc2c1 12951203 RSVMQMGMPZRBPB-UHFFFAOYSA-N 404.797 5.037 0 40 HKAB COc1ccc(N2C(=O)C=C(c3ccc(F)cc3)/C2=C/Nc2cccc(Cl)c2)cc1 12952225 ITQUKODOLQZWNJ-HAHDFKILSA-N 420.871 5.871 0 40 HKAB O=S(=O)(Nc1cc(OCc2ccccc2)c(Cl)cc1Cl)c1ccccc1 12960079 ONCFGSWYCVTZIH-UHFFFAOYSA-N 408.306 5.373 0 40 HKAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1Br 14794023 IRZKSBNMSRBJSQ-IBGZPJMESA-N 419.322 5.492 0 40 HKAB CSc1ncc(C(=O)OCc2nc(-c3ccccc3)oc2C)n1-c1ccc(F)cc1 14845602 AKESKIJQVQXGPM-UHFFFAOYSA-N 423.469 5.054 0 40 HKAB Cc1ccc(O[C@@H](C)c2nnc(SCc3ccc(F)cc3Cl)n2C)c(C)c1 17083290 KEWNEFXYRSLVKE-AWEZNQCLSA-N 405.926 5.657 0 40 HKAB CC(C)CCOc1cccc(CNc2cccc(OCCCc3ccccc3)c2)c1 19738512 ZHVFTEVXDQPUKH-UHFFFAOYSA-N 403.566 6.735 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)C(c1ccccc1)c1ccccc1 20137068 JZJSWELDBBUWNC-UHFFFAOYSA-N 417.892 5.863 0 40 HKAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2Cc2ccccc2Cl)cc1 20248346 BHWGEPHIBLAIRN-RUZDIDTESA-N 402.925 5.978 0 40 HKAB biogenic,in-vitro Cc1ccc2[nH]cc(C(=O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 20479572 IZVDGVCYDLOQTJ-UHFFFAOYSA-N 423.560 5.066 0 40 HKAB Cc1cc(OCC(=O)N[C@H](c2ccccc2)c2ccccc2C)ccc1Br 20492693 AIRURRQWHUKZJZ-HSZRJFAPSA-N 424.338 5.351 0 40 HKAB Cc1ccc2nc(Nc3nc(-c4cccs4)cc(C(F)(F)F)n3)nc(C)c2c1 20798203 VFMKJWLRMLVSNW-UHFFFAOYSA-N 401.417 5.528 0 40 HKAB O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N1CCN(c2ccccc2)CC1 21005696 HYGORZSBHJNASG-UHFFFAOYSA-N 410.439 5.335 0 40 HKAB CCc1ccc2oc(-c3cccc(NC(=O)c4ccc5nsnc5c4)c3)nc2c1 21595349 CIIWMPYHOFVJCM-UHFFFAOYSA-N 400.463 5.314 0 40 HKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 30851007 SSNDKENQFHEJRX-JOCHJYFZSA-N 411.954 6.428 0 40 HKAB O=C(CSCc1ccc(F)cc1)NCCSCc1ccc(Cl)c(Cl)c1 30866297 ZSQXVVLJAFMZHJ-UHFFFAOYSA-N 418.386 5.415 0 40 HKAB COc1ccc(OC)c(NC(=O)CSCc2csc(-c3ccc(C)cc3)n2)c1 32779053 DAZWUHIZSYACGQ-UHFFFAOYSA-N 414.552 5.008 0 40 HKAB Clc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c3c2CCCCCC3)cc1 35324304 UEOCKRXWBBUXLO-UHFFFAOYSA-N 422.359 7.029 0 40 HKAB Cc1cc(Br)cc(C)c1NC(=O)CSc1cccc2cccnc12 38536874 AYTWDHZKUAQZEE-UHFFFAOYSA-N 401.329 5.345 0 40 HKAB O=C(NC[C@@H](C(=O)O)c1ccc(Cl)cc1)OCC1c2ccccc2-c2ccccc21 44546664 VPGXZWIGRRRZMG-OAQYLSRUSA-N 421.880 5.047 0 40 HKAB Cc1ccccc1[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1 44842932 QDDIZEQXJZAAOU-HHHXNRCGSA-N 423.581 6.807 0 40 HKAB Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c(C)c1 44934958 YJJTXJIECFNJQR-KRWDZBQOSA-N 402.941 5.185 0 40 HKAB CCCN(CC(F)(F)F)C(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 59252830 OXGHCHOAHMAHQH-UHFFFAOYSA-N 418.463 5.402 0 40 HKAB CCn1c([C@@H]2CCCN2C(=O)c2ccc(Oc3cccnc3)cc2)nc2ccccc21 60352977 IVNZYHNXPMELTR-QHCPKHFHSA-N 412.493 5.221 0 40 HKAB CCOc1ccc(-n2c(SCc3cc(F)cc(F)c3)nc3ccccc3c2=O)cc1 67259632 QLDIEYKTILRCAM-UHFFFAOYSA-N 424.472 5.355 0 40 HKAB O=C(CCc1ccccc1)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349049 GBJKGESVPDCPLV-JOCHJYFZSA-N 402.513 5.150 0 40 HKAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN(C(=O)c3scnc3C)C2)n1 72354036 KMANLPVOEVVLKB-OAQYLSRUSA-N 405.567 5.074 0 40 HKAB Cc1ccc(NC(=O)OC(C)(C)C)c2c1N(C(=O)c1c(C)noc1C1CC1)CCC2 96011154 BZSATAUJOUKXHR-UHFFFAOYSA-N 411.502 5.109 0 40 HKAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 103024167 HHCUODSRPCZXCJ-BZUAXINKSA-N 405.567 5.935 0 40 HKAB CCn1c(SCc2ccc(C)cc2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 107724837 MDOLLYKNSKPFJZ-HXUWFJFHSA-N 408.571 5.026 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4C(C)(C)CCC[C@@]45C[C@]35CC[C@]12C 120656937 BSLYZLYLUUIFGZ-LEDSSXDCSA-N 412.746 9.278 0 40 HKAB Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3cccc4ncccc34)c(N)c12 215677392 YLYOIOYULJKMFZ-UHFFFAOYSA-N 402.401 5.006 0 40 HKAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222804572 IEXOMWUTYONIFH-RTBURBONSA-N 418.349 5.641 0 40 HKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 222820275 KTYJBOVAIBZGOA-UXHICEINSA-N 414.937 5.046 0 40 HKAB COc1ccc(-c2ncc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(C)n2)cc1 223144240 ZUXIMQJYHGLSPZ-UHFFFAOYSA-N 423.516 5.303 0 40 HKAB COc1ccc2cc(S(=O)(=O)N[C@@H](c3ccccc3)c3cccc(C)c3)ccc2c1 224499456 CJKPOMAATXCMEB-VWLOTQADSA-N 417.530 5.225 0 40 HKAB Cc1ccc(C)c(CC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)c1 224698591 KPDFVBCSCMBKLT-JOCHJYFZSA-N 420.597 5.021 0 40 HKAB CCOc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2)o1 224909915 HUPRZSNBGLYUOC-UHFFFAOYSA-N 414.461 5.668 0 40 HKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CCc1ccccc1 225037382 UYBZXNUJKJZPEQ-VWLOTQADSA-N 420.597 5.184 0 40 HKAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 225360711 VLJJDEVKUAAGFO-DHIUTWEWSA-N 419.550 5.482 0 40 HKAB O=C(c1ccc2c(c1)CCCC2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 225628112 XVFNBHCWHMCZGK-UHFFFAOYSA-N 410.561 5.113 0 40 HKAB CCOC(=O)c1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1 225863229 QSLQEKMOXIIDBC-UHFFFAOYSA-N 402.947 5.273 0 40 HKAB Cc1csc(C(=O)N2CCCC[C@H]2c2nnc(-c3nccc4ccccc34)o2)c1 257332642 XYCPHNJUYUZLMF-KRWDZBQOSA-N 404.495 5.022 0 40 HKAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408577336 YYBUUVCPQRXZJG-MRXNPFEDSA-N 409.938 5.831 0 40 HKAB COc1ccc(-c2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2C)c(OC)c1 408823911 GWEIYIASRFTBDJ-UHFFFAOYSA-N 412.555 5.291 0 40 HKAB Cc1ccc(Cl)cc1NCc1c(OCc2cccc(F)c2)ccc2ccccc12 409115578 MUWMZONEMLTGBP-UHFFFAOYSA-N 405.900 7.132 0 40 HKAB C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1Br 637582 YTMPLHYMJBRMJD-RADKVMJMSA-N 418.334 5.931 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1sc2nc3c(C)ccc(C)c3cc2c1N 877025 SVRGXLHKBSBNQC-UHFFFAOYSA-N 403.551 6.026 0 40 HKAB CCc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1cccs1 1380081 SFBZIQVXIDCERD-QFIPXVFZSA-N 422.550 5.350 0 40 HKAB CCc1cccc(C)c1N(C(=O)Cn1c(CC(C)C)nc2ccccc21)[C@H](C)COC 1470659 JCXOHJHUUOSSNL-HXUWFJFHSA-N 421.585 5.174 0 40 HKAB O=C1N(C2CCCCC2)[C@@H](/C=C/c2ccccc2)C1(c1ccccc1)c1ccccc1 1586918 QIYGYEUUHVKTEQ-BZNVDEBGSA-N 407.557 6.230 0 40 HKAB Cc1ccc(Cl)cc1NP(=O)(Oc1ccccc1F)Oc1ccccc1F 2291036 YOYNLGDXTWWKHZ-UHFFFAOYSA-N 409.756 6.605 0 40 HKAB Clc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)c1 2350132 CFGNRLRSPNPFQP-UHFFFAOYSA-N 421.913 5.408 0 40 HKAB Cc1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1CC(Cl)(Cl)Cl 2388128 VYGIKNBSWNXFKA-UHFFFAOYSA-N 414.137 5.329 0 40 HKAB CCOC(=O)c1ccc(Nc2ncnc3c2oc2ccc(Br)cc23)cc1 2410263 VGTAKCMGUBOPNA-UHFFFAOYSA-N 412.243 5.059 0 40 HKAB Cc1ccc(Nc2nc(S(=O)(=O)c3ccc(Cl)cc3)c(Cl)s2)c(C)c1 3192239 AMFSDZDDTZGNLH-UHFFFAOYSA-N 413.351 5.643 0 40 HKAB CC(=O)c1cccc(NC(=O)COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1 3217407 YOZPZWZBZGJLIW-UHFFFAOYSA-N 409.526 5.280 0 40 HKAB CCN(C(=O)COC(=O)c1cc(Cl)cc(Cl)c1)c1cccc2ccccc12 3270473 NMFJIOASMWRZIV-UHFFFAOYSA-N 402.277 5.357 0 40 HKAB C[C@@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)Nc1cccc(Cl)c1Cl 3289285 KODNXKQJQVUNRJ-CYBMUJFWSA-N 424.299 5.515 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)CN4c5ccccc5C[C@H]4C)cc3)sc2c1 3432404 FLMGFTJDIIZWQR-QGZVFWFLSA-N 413.546 5.661 0 40 HKAB COC(=O)c1ccc(CSc2nnc(-c3sc4ccccc4c3Cl)o2)o1 3532230 DMHUXRRMOWGVFT-UHFFFAOYSA-N 406.872 5.277 0 40 HKAB CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)Nc1ccccc1 4044336 YZEYNPFQLPXVOR-FXVJXKIMSA-N 404.598 6.642 0 40 HKAB biogenic COc1ccccc1OCCn1c(SCCOc2ccccc2)nc2ccccc21 4045665 JFTWVWGPWSUDKH-UHFFFAOYSA-N 420.534 5.295 0 40 HKAB Cc1ccccc1N1C(=O)c2ccc(C(=O)O[C@H]3C[C@H](C)CC[C@@H]3C(C)C)cc2C1=O 4175008 QCLDUUXNUVDQEN-HFXUHXBXSA-N 419.521 5.413 0 40 HKAB Fc1ccc(C2=NN(c3ccccc3Br)[C@H](c3ccc(F)cc3)C2)cc1 4199446 GNVRHFSSIOAAAL-NRFANRHFSA-N 413.265 6.083 0 40 HKAB CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3c2C1 4660847 MNUFAYIWORMWRJ-HNNXBMFYSA-N 415.530 5.914 0 40 HKAB CCc1ccc([C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(F)cc2)cc1 4743652 YWOXZAHRTAFHTB-RUZDIDTESA-N 403.541 7.112 0 40 HKAB CCC(=O)COc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(C)=O 5427842 SLWBYZLLBHQFBI-UHFFFAOYSA-N 412.283 5.225 0 40 HKAB Cc1cc(C)n(-c2nc(SCCC(C)C)c3c4c(sc3n2)COC(C)(C)C4)n1 5533518 FVABRBYWAAUXJA-UHFFFAOYSA-N 416.616 5.483 0 40 HKAB Cc1[nH]c2ccccc2c1SCCNC(=O)C(c1ccccc1)c1ccccc1 6279891 HIUBCWLTJOXLLF-UHFFFAOYSA-N 400.547 5.517 0 40 HKAB COc1cc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OC 6380710 SCYMJFDYLUZKLL-UHFFFAOYSA-N 410.853 5.064 0 40 HKAB COc1cc(C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)cc(OC)c1OC 6418724 PZOPHEIFSKRDIQ-UHFFFAOYSA-N 412.511 5.013 0 40 HKAB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(-c2ccccc2)cc1 6423209 YAUHYTGJIDGFKK-UHFFFAOYSA-N 415.518 5.052 0 40 HKAB COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)ccc1OCC(C)C 6788873 FIXTTXVQJPRTGZ-QHCPKHFHSA-N 406.482 5.090 0 40 HKAB COc1cccc(CNC2CCCCCCC2)c1OCc1ccc(Cl)cc1Cl 7522601 LAZRQQWVFYAIMD-UHFFFAOYSA-N 422.396 6.784 0 40 HKAB COc1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1OCc1ccccc1Cl 7989663 WJDGUTVBEMQGSO-UHFFFAOYSA-N 409.869 5.383 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C1(c2ccc(Cl)cc2)CCC1 8073013 JKUVRTQDGFKLNZ-UHFFFAOYSA-N 407.945 5.223 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1 8590854 ZDZJNENTJSSSPZ-UHFFFAOYSA-N 404.491 5.623 0 40 HKAB O=S(=O)(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(Cl)cc1 8864664 WXDUPUDOVILLLI-UHFFFAOYSA-N 400.912 5.418 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1 9063732 FCUQLHHNPNKVPM-UHFFFAOYSA-N 415.723 5.637 0 40 HKAB Cc1cc(C)c2sc(N(CCCN(C)C)C(=O)c3nc4ccccc4s3)nc2c1 9151933 MTYLYDXNNQDLNE-UHFFFAOYSA-N 424.595 5.121 0 40 HKAB CCN(CC)P12(Oc3ccccc3O1)O[C@@H](c1ccccc1)O[C@@H]2c1ccccc1 9350995 PRSHBXLJYQRYQW-ZEQRLZLVSA-N 423.449 6.457 0 40 HKAB C[C@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 9665265 FKBGHEMLMAWFBT-JTQLQIEISA-N 420.214 5.125 0 40 HKAB Cc1cc2nc(-c3ccc(CNC(=O)COc4ccccc4Cl)cc3)oc2cc1C 10120454 YQPVWDHHFAWOOV-UHFFFAOYSA-N 420.896 5.460 0 40 HKAB O=C(CCSCc1cn2ccccc2n1)Nc1ccccc1Cc1ccccc1 12539938 WIRYYDNHXYTUKV-UHFFFAOYSA-N 401.535 5.187 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cnc2ccccc21)c1ccc(Cl)cc1 12623911 INPDZSGDGLSSTF-UHFFFAOYSA-N 415.802 5.950 0 40 HKAB O=C(O)Cn1c(SCc2cccc3ccccc23)nnc1-c1ccc(Cl)cc1 12817559 UIJMZQGKIYWXHB-UHFFFAOYSA-N 409.898 5.129 0 40 HKAB CSc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)cc1 12976099 NMOIZZGXJGJPOF-FQEVSTJZSA-N 400.594 5.118 0 40 HKAB CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Br)s3)cs2)s1 13007897 DBXKNWVZVRHDEI-UHFFFAOYSA-N 413.343 5.151 0 40 HKAB CC(=O)c1cc2c(cc1NC(=O)c1cc(-c3ccccc3)nc3ccc(C)cc13)OCO2 13041464 AMMGYFSODZZRIU-UHFFFAOYSA-N 424.456 5.394 0 40 HKAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1 13042086 OXVLHMHGCBTABD-MRXNPFEDSA-N 406.507 5.067 0 40 HKAB Cc1nc(Sc2nnnn2-c2ccccc2C)c2c(-c3cccs3)csc2n1 13130193 RCIMQLGPNRBDAD-UHFFFAOYSA-N 422.564 5.164 0 40 HKAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)Nc1cccc(F)c1 13141087 JXNNWCOGUFUWQZ-UHFFFAOYSA-N 419.890 5.475 0 40 HKAB CCOc1ccc(OCC)c2nc3c(cc12)CN(Cc1ccccc1)C[C@@H](CC)O3 13563880 QRIVUDSBIADMNI-HXUWFJFHSA-N 406.526 5.205 0 40 HKAB Cc1ccc(C)c(OCCCn2cc(C(=O)COc3ccccc3)c3ccccc32)c1 14135938 ZTWLQUDKJBDVRX-UHFFFAOYSA-N 413.517 5.989 0 40 HKAB O=C1C[C@H](c2ccccc2OCc2ccccc2F)c2c(sc3c2CCCC3)N1 15084823 RMHSDRQLHBKWKR-GOSISDBHSA-N 407.510 5.819 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3c2[C@@H](c2ccc(C(F)(F)F)cc2)CC(=O)N3)C1 15106892 CKEPWPSNVBJLET-GDBMZVCRSA-N 407.501 6.392 0 40 HKAB Fc1ccc(COc2ccc(Br)cc2CNCCc2ccccc2)cc1 16479323 WWDWTWBKXLBPMN-UHFFFAOYSA-N 414.318 5.500 0 40 HKAB C[C@H]1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C[C@@H](C)O1 16712831 RNEFFOIJRPZVFW-CALCHBBNSA-N 418.928 5.355 0 40 HKAB Cc1cccc(NC(=O)Cn2c3c(sc2=O)[C@@H]2C[C@@H](C)CC[C@H]2C(C)(C)S3)c1 16754176 GDPWCXPDRURPNU-USXIJHARSA-N 416.612 5.261 0 40 HKAB CC1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2Cl)CC1 17087783 JWVFENNHPCKYDV-UHFFFAOYSA-N 407.739 5.591 0 40 HKAB COc1ccccc1-c1nn(Cc2cccc(C)c2)c(-c2ccccc2OC)c1Cl 17091716 HNKXOXMKFLPEMN-UHFFFAOYSA-N 418.924 6.244 0 40 HKAB CCOc1ccc(C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 17307394 HXBDPDZEGYFJDC-UHFFFAOYSA-N 420.456 5.200 0 40 HKAB CC[C@H](C)c1ccccc1O[C@@H](C)CNc1cccc(OCCOc2ccccc2)c1 19738415 MYZVDWBHRSEPHR-VXKWHMMOSA-N 419.565 6.537 0 40 HKAB Cc1ccc([C@@H](NC(=O)c2ccccc2SCc2ccccc2)c2ccccc2)cc1 20035456 NKOWJHFZSMVOHO-MHZLTWQESA-N 423.581 6.807 0 40 HKAB O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccc(C(=O)O)c(O)c1 20151083 QQSBRAYKYWQTKP-RMKNXTFCSA-N 417.339 5.021 0 40 HKAB Cc1ccc(-n2nc(C)c(NC(=O)CSc3ccc4ccccc4n3)c2C)cc1 21331505 WSXLPEPWUZPNHP-UHFFFAOYSA-N 402.523 5.077 0 40 HKAB O=C(O)c1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)cc1C(=O)O 22114954 CDNZYCMHOWHMDW-HRBBJJPOSA-N 412.445 5.104 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)c3cn(C)c4ccc(F)cc4c3=O)ccc21 22236498 XBKPVJMWEDFYHK-UHFFFAOYSA-N 413.452 5.058 0 40 HKAB O=C(Nc1ccccc1O)C1CCN(Cc2sc3ccccc3c2Cl)CC1 27373955 RYQMTNHKGKRQDW-UHFFFAOYSA-N 400.931 5.111 0 40 HKAB CCCOc1ccc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1 27747369 SGQRMKADIWLYER-UHFFFAOYSA-N 401.260 5.145 0 40 HKAB O=C1CN(C(=O)CCCc2ccccc2)[C@@H](c2ccccc2)c2ccc(Cl)cc2N1 28048079 QHSIWQRRRSFPMP-VWLOTQADSA-N 418.924 5.233 0 40 HKAB Cc1cc(-c2cc(C(=O)N(C)Cc3cccs3)c3cnn(C(C)C)c3n2)c(C)o1 31526936 BMMWUXSRKQGWND-UHFFFAOYSA-N 408.527 5.223 0 40 HKAB Cc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40397631 FMEXSMHYIDVGJE-QEEYODRMSA-N 420.944 5.670 0 40 HKAB Cc1cccc(-c2nc(CSc3nnc(-c4ccc5ccccc5c4)o3)no2)c1 42180841 SVGQLIPZVMZSBL-UHFFFAOYSA-N 400.463 5.541 0 40 HKAB Cc1cc(C)c(NC(=O)[C@@H](C)Nc2ccc(N3CCSCC3)cc2C)c(Cl)c1 51186436 PMWIMSAWGMPARB-QGZVFWFLSA-N 418.006 5.258 0 40 HKAB Cc1cccc(-n2nc(-c3nc(-c4ccccc4Cl)no3)c3ccccc3c2=O)c1 64949764 DWSLZOYJBJRPDC-UHFFFAOYSA-N 414.852 5.065 0 40 HKAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72214565 REULMBCRQJVKBK-NRFANRHFSA-N 423.557 5.456 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3c(C)ccnc3Cl)c3ccccc3n2)cc1 72300851 YJNUKGNCDGZFHK-UHFFFAOYSA-N 403.869 5.520 0 40 HKAB O=C(c1ccc(-n2cccc2)cc1)N1CCC(COCc2ccc(Cl)cc2)CC1 77191564 ULIXWCOHORPNPI-UHFFFAOYSA-N 408.929 5.200 0 40 HKAB CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)Nc1cccc2[nH]ccc12 95478758 KSJZBNOUFCXYEY-INIZCTEOSA-N 403.309 5.625 0 40 HKAB CCOC(=O)c1cc2cc(NCc3cc(Cl)cc4c3OCOC4)ccc2s1 97674826 ASCFZIGCLLZNBB-UHFFFAOYSA-N 403.887 5.210 0 40 HKAB N=c1c2c(ncn1Cc1ccco1)Oc1ccc3ccccc3c1[C@@H]2c1ccccc1 100547615 YIGBSQVLQFJCDF-QFIPXVFZSA-N 405.457 5.443 0 40 HKAB COc1ccccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 100845316 XOEWGIOXIAIDSZ-HNNVXOBOSA-N 424.544 6.244 0 40 HKAB CC1(C)CC2=Nc3nc(SCc4ccccc4)nn3[C@@H](c3ccncc3)C2=C(O)C1 102749745 WCGHSDDOPSGKQX-FQEVSTJZSA-N 417.538 5.273 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1cc(C(F)(F)F)[nH]n1 118926573 CLAGQRWCTZRCME-LCDGHNAASA-N 408.508 5.836 0 40 HKAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222759508 KPMSJYAXKWNNPU-ZWKOTPCHSA-N 404.322 5.251 0 40 HKAB C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 222992772 CYOSFXFDJUIMNR-WZONZLPQSA-N 410.989 5.308 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1C(C)C 223371667 XWCWKIYGBCNQJE-DLBZAZTESA-N 403.950 5.734 0 40 HKAB COc1ccc(OCc2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2OC)cc1 224271208 JYTDDHSUFZPZLN-UHFFFAOYSA-N 405.494 5.460 0 40 HKAB Fc1cccc(Cl)c1CSCCNC(=S)Nc1ccc(C(F)(F)F)cc1 225368520 AMJGPPQUHRDUDT-UHFFFAOYSA-N 422.900 5.718 0 40 HKAB CC(C)CCCCCCCCCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)O 225459639 WICAPTTWPBEVPW-HSZRJFAPSA-N 403.607 6.136 0 40 HKAB biogenic,in-vitro Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c(C)c1 225583295 GHFAXFOHJTZKQZ-QGZVFWFLSA-N 402.941 5.185 0 40 HKAB CC(=O)OC[C@H](OC(C)=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]21C 253596501 RZMRLFZKLOVKNA-BWFGLJCPSA-N 404.591 5.530 0 40 HKAB CCCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)cc1 408607580 NGGFVOWETVHEQZ-UHFFFAOYSA-N 422.550 5.391 0 40 HKAB CCOc1cccc(/C=C2\SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)c1O 408724310 ARMQNGYJJSBPLC-NVNXTCNLSA-N 410.278 5.339 0 40 HKAB COc1cc(CNc2ccccc2C)cc(Cl)c1OCc1cccc2ccccc12 409113937 GMLFBJBFFDACJY-UHFFFAOYSA-N 417.936 7.001 0 40 HKAB Fc1ccccc1COc1ccc(CNc2ccc(Cl)cc2)cc1Br 409177370 FQCOEHDJQAPFMS-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1cccc(C)c1 409179512 RBGQHCZYAXKBNT-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB C/C(CCCC(C)(C)O)=C1\CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 1560408789 JWPUNBQDWNHOIQ-USAZCXOKSA-N 400.647 6.568 0 40 HKAB CCOC(=O)c1c(C)n(-c2ccc(Br)cc2)c2ccc(OCC)cc12 1242854 ZCLYCVJCDDFNSP-UHFFFAOYSA-N 402.288 5.277 0 40 HKAB Cc1cnc(SCc2ccccc2Cl)nc1SCc1ccccc1Cl 1678979 ALHRQCLNYQRJKT-UHFFFAOYSA-N 407.391 6.676 0 40 HKAB CCCCCCOc1ccc(-c2ccc(-c3noc(-c4ccccc4C)n3)cc2)cc1 2054781 MZEJGIXKVCYCNR-UHFFFAOYSA-N 412.533 7.338 0 40 HKAB O=S(=O)(Oc1ccc(C2SCCS2)cc1)c1ccc(Cl)cc1Cl 2077415 WKQGEZDEDDWELH-UHFFFAOYSA-N 407.365 5.240 0 40 HKAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1cc(Cl)cc(Cl)c1)CO3 2112885 ZCXMICLGWSKEAY-UHFFFAOYSA-N 424.283 6.123 0 40 HKAB biogenic COc1ccc(-n2c(SCCc3ccccc3)nc3sc(C)c(C)c3c2=O)cc1 2143143 BFMVOMMGSSKTRO-UHFFFAOYSA-N 422.575 5.407 0 40 HKAB CCc1cccc(-n2c(N)c(C(=O)OCC(CC)CC)c3nc4ccccc4nc32)c1 2376063 SSCFDDPPIFMGDW-UHFFFAOYSA-N 416.525 5.311 0 40 HKAB Cc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)c1 2442663 SRYGSUNSRPMAMF-UHFFFAOYSA-N 401.495 5.063 0 40 HKAB Cc1ccccc1NC(=O)CSc1nccc(-c2cc(Cl)cc(Cl)c2)n1 2809514 RADXIUZVHIRAEK-UHFFFAOYSA-N 404.322 5.490 0 40 HKAB Fc1ccc(CSc2nc(NCc3ccc(Cl)cc3)c3ccccc3n2)cc1 2933040 XJWOCMUGJXTVRP-UHFFFAOYSA-N 409.917 6.327 0 40 HKAB CCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)cc1 3220617 WAAJDKXWPHYXPL-UHFFFAOYSA-N 418.522 5.045 0 40 HKAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCc3ccc(Br)cc3)c2C1 3295110 XTMHWKITINIBOW-CQSZACIVSA-N 410.311 5.479 0 40 HKAB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](C5(C)OCCO5)CC[C@]4(C)[C@@H]3CC[C@]12C 3843736 GFXBFUNNPOLAPC-JELZRBBFSA-N 404.591 5.340 0 40 HKAB Clc1ccc(COn2c(-c3ccccc3Cl)nc3ccccc32)c(Cl)c1 4024273 SZWXALGZIVGUCP-UHFFFAOYSA-N 403.696 6.292 0 40 HKAB CC[C@H](NC(=O)c1c(-c2ccccc2Cl)noc1C)C12CC3CC(CC(C3)C1)C2 4451499 MDBJBXQUNCJLLN-ZDCBYCKXSA-N 412.961 6.028 0 40 HKAB O=C(O)CCC(=O)Nc1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1 4550850 DKDOXKUSEZLZSP-UHFFFAOYSA-N 401.875 5.010 0 40 HKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4576188 HRWWWPVVAAKEBH-HNNXBMFYSA-N 416.974 5.522 0 40 HKAB C[C@@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 4784272 KTBPSSMXVPVMPV-VKGTZQKMSA-N 421.496 5.093 0 40 HKAB Cc1ccccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 4902439 PPPFWSJJRMTZTM-UHFFFAOYSA-N 407.300 6.769 0 40 HKAB COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)c3ccccc3)nc12 5256935 HGRZDJONJYSCFB-UHFFFAOYSA-N 409.898 5.200 0 40 HKAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c(C)n1C(C)C 5332580 POWTUYNJELCVQV-UHFFFAOYSA-N 412.534 5.393 0 40 HKAB CCC(CC)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc(Cl)cc1Cl 5642624 AIBCXEKWZSKDLD-HNNXBMFYSA-N 400.331 5.031 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cn2cc(C(F)(F)F)cc(Cl)c2n1 5728874 RBWWWEQJLTUUNN-UHFFFAOYSA-N 407.701 5.278 0 40 HKAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccoc2C)n1-c1ccccc1 5883206 KCBDCCMGQGKHDM-UHFFFAOYSA-N 419.506 5.339 0 40 HKAB COc1ccc(-c2cc(C(=O)NC3CCCCCC3)c3ccccc3n2)c(OC)c1 6127414 LMNOGGDBLYKKLO-UHFFFAOYSA-N 404.510 5.372 0 40 HKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 6824513 CJXLAZCJVZXDAK-YZZKKUAISA-N 423.553 5.274 0 40 HKAB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)ccc1OCCOC 6961152 DMOWDVVCWKHHDP-OQKWZONESA-N 415.489 5.329 0 40 HKAB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O 6964614 DSGGDUNMZUBEFL-LPYMAVHISA-N 414.486 5.347 0 40 HKAB COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)C4CC4)c(N)c23)cc1 6995495 QNHAEQCVGOBXKW-UHFFFAOYSA-N 400.503 5.814 0 40 HKAB CC(C)(C)c1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 8071571 FJFNCJTXADGPMF-UHFFFAOYSA-N 412.327 5.937 0 40 HKAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8314641 DWEDULGVRIZVDK-QGZVFWFLSA-N 419.575 5.748 0 40 HKAB O=C(CSc1nccc2ccccc12)N1c2ccccc2Sc2ccccc21 8436663 JBCOYJAMTMJXPT-UHFFFAOYSA-N 400.528 6.156 0 40 HKAB O=C(c1ccc(Cl)cc1)N1N=C2c3ccccc3CC[C@H]2[C@H]1c1ccccc1Cl 8453249 HFNXRFAUFNJACL-NFBKMPQASA-N 421.327 6.157 0 40 HKAB CCOC(=O)c1c(NC(=S)Nc2cccc(C)c2)sc2c1CC(C)(C)SC2 8691738 WCXOBZUBSHTVTD-UHFFFAOYSA-N 420.625 5.610 0 40 HKAB Cc1ccc(C(=O)c2c(N)c(-c3nc(-c4ccccc4)cs3)c3ccccn23)cc1 8844883 HZEAUNWOECPESY-UHFFFAOYSA-N 409.514 5.851 0 40 HKAB Clc1ccc(-c2cc3ccccc3nc2Sc2c(Cl)cccc2Cl)cc1 8855311 LCCCONHYQLNTMY-UHFFFAOYSA-N 416.760 8.013 0 40 HKAB COc1ccc(Nc2c(O)nc3ccc(Cl)cc3c2-c2ccccc2)c(OC)c1 9193124 QMIZNWDXOHSQHM-UHFFFAOYSA-N 406.869 6.022 0 40 HKAB COc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1OC 9239251 LGYAHXRYRKKGNI-FYJGNVAPSA-N 405.475 5.094 0 40 HKAB CC1=C(C)[C@H](N(c2ccccc2)c2ccccc2)N([C@@H](C)CCc2ccccc2)C1=O 9680380 KIXDWDRSFRNNDY-IDISGSTGSA-N 410.561 6.351 0 40 HKAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1cccc(Cl)c1Cl 10674572 XPSPZXGHLGOUQE-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c1C 12569418 NARINOVYSWZDBY-UHFFFAOYSA-N 417.292 5.208 0 40 HKAB Cc1cccc(C(=O)Nc2nnc(SCc3ccccc3Br)s2)c1 12630641 WUOULDMURZSBCD-UHFFFAOYSA-N 420.357 5.154 0 40 HKAB O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1cc(Cl)ccc1F 12784182 QPOOXCTXMWBEPO-UHFFFAOYSA-N 400.759 5.099 0 40 HKAB Cc1sc(NC(=O)Cc2csc(-c3ccco3)n2)nc1-c1ccc(Cl)cc1 12787412 HYRUPPAKAZEAIY-UHFFFAOYSA-N 415.927 5.670 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 13612046 DRJJERFWOJLXLB-UHFFFAOYSA-N 403.956 5.742 0 40 HKAB CCc1ccc(Cc2cnc(NC(=O)C3=Cc4cc(Cl)ccc4OC=C3)s2)cc1 15838556 GZBKAHNCVQJXHP-UHFFFAOYSA-N 422.937 5.878 0 40 HKAB CN(C)CCCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccccc1 16711521 UTPSPZQJYJBCRY-ATJXCDBQSA-N 406.382 5.708 0 40 HKAB O=C(NC(=S)Nc1cccc2ccccc12)c1cccc(OCc2ccccc2)c1 17089237 BMRZWESIRBJMRO-UHFFFAOYSA-N 412.514 5.546 0 40 HKAB O=C(NC(=S)Nc1cccc2ccccc12)c1ccc(OCc2ccccc2)cc1 17089239 TWYFYZKRJRSTAF-UHFFFAOYSA-N 412.514 5.546 0 40 HKAB Cc1ccc(OCC(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1 17089935 VOJFJNHEVJYNJP-UHFFFAOYSA-N 414.509 5.178 0 40 HKAB CCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)c1 17094138 CCKUMFJTKDGOKR-UHFFFAOYSA-N 424.884 5.252 0 40 HKAB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3n2)cc1 20610107 GLWRAXBQGBJWQS-UHFFFAOYSA-N 411.292 5.542 0 40 HKAB CC[C@H](C)n1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3cc(C)ccc3nc21 21596605 BEWSJKWGMIYOHC-HNNXBMFYSA-N 422.916 5.535 0 40 HKAB CCOc1ccc(CCNc2ncccc2C(=O)Nc2ccccc2C)cc1OCC 22072490 UDJMPISFENLYAX-UHFFFAOYSA-N 419.525 5.094 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 22258158 IJUJXJOAACDIKV-UHFFFAOYSA-N 409.869 5.348 0 40 HKAB S=C(NCCSc1ccccc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 24045771 HJJXJIRXWAXZPL-MRXNPFEDSA-N 413.637 5.143 0 40 HKAB C[C@H](Sc1nccn1-c1ccc(Br)cc1)c1nc(C(C)(C)C)no1 24046755 JOBJNXOQWJZCQE-NSHDSACASA-N 407.337 5.169 0 40 HKAB Cc1ccc(C)c(-c2nn(CN(C)Cc3sccc3C)c(=O)c3ccccc23)c1 24572903 XXUBHLJYKQNHLL-UHFFFAOYSA-N 403.551 5.140 0 40 HKAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)C1(C)C 27987520 GMRLDCPCEVWYMQ-UYAOXDASSA-N 402.494 5.862 0 40 HKAB Cc1cc2oc(C(=O)N(Cc3cccs3)c3ccccc3Cl)c(C)c2cc1C 28287319 VQHXYHKGSLONFS-UHFFFAOYSA-N 409.938 6.920 0 40 HKAB O=C(Nc1ccccc1Cl)N(Cc1nc2n(n1)CCCCC2)c1ccc(F)cc1 28534640 OEMVYSFYDZVECK-UHFFFAOYSA-N 413.884 5.036 0 40 HKAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCCCCC3)no2)cc1 32622149 ZIJHPYPEKLCUEU-DEOSSOPVSA-N 417.553 5.306 0 40 HKAB CC(=O)Nc1ccc(N[C@@H](C)c2nc3cc(Cl)ccc3n2Cc2ccccc2)cc1 32806137 PNLNBXZVBLGJTA-INIZCTEOSA-N 418.928 5.870 0 40 HKAB CCCn1c(=O)c2cc(Cl)ccc2n2c(SCc3cccc(Cl)c3)nnc12 32985579 IVHGQWZLAQRCQG-UHFFFAOYSA-N 419.337 5.053 0 40 HKAB COc1cccc2c1O[C@@H](c1ccc(C(C)(C)C)cc1)N1N=C(c3ccccc3)C[C@H]21 36352149 OTIJCAIXZVSNST-BVAGGSTKSA-N 412.533 6.235 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(SC2CCCC2)cc1 40072092 QWXLQMOAFWHSHD-HSZRJFAPSA-N 406.551 5.624 0 40 HKAB CC(C)C[C@@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccccc1 44936908 GBGLIOGULUAOMU-HSZRJFAPSA-N 416.968 5.595 0 40 HKAB Cc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)c1 46078782 WYIKBHYTKHTCFD-UHFFFAOYSA-N 404.897 5.494 0 40 HKAB Cc1ccc2c(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)cccc2n1 57312804 XTYGHOUPKOEWTD-UHFFFAOYSA-N 411.530 5.188 0 40 HKAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1cccc(Cl)c1 57487267 DMRABQNEKIJISN-UHFFFAOYSA-N 413.264 5.151 0 40 HKAB O=C(c1cnc(N[C@@H]2CCSc3c(F)cccc32)c(Cl)c1)N1CCCCC1 60446446 BUKYQSWAYRPYAL-QGZVFWFLSA-N 405.926 5.149 0 40 HKAB Fc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c(Br)c1 71760883 DMEDFSYAZNSKEW-UHFFFAOYSA-N 409.202 5.296 0 40 HKAB O=c1[nH]c(/C(Cl)=C\c2ccc(OCc3ccccn3)cc2)nc2cc(Cl)ccc12 98008641 LQPMXKZNVVETPD-YBFXNURJSA-N 424.287 5.287 0 40 HKAB Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)c1 100725078 VOVSFTFOXZXHLQ-QOTIDHGMSA-N 413.517 5.468 0 40 HKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1nc2c(s1)CCCC2 102092917 ZUKYKMHNPADRGN-NYYJTOMGSA-N 409.393 5.084 0 40 HKAB O=C(O)c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)o1 106691079 BNEBUCYZNSFIGY-ODLFYWEKSA-N 423.421 5.020 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](OC(=O)/C=C\c5ccccc5)CC[C@@]43C)[C@@H]1CCC2=O 118916282 BHWKXKHBCVBVDP-CBGIHKJXSA-N 418.577 6.144 0 40 HKAB Cc1ccc2c(c1)[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)CC(C)(C)O2 222695159 GFRXZTPTZQHMIQ-IBGZPJMESA-N 403.975 5.939 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 222923028 OHAYBYDBJJDDKR-IBGZPJMESA-N 403.906 5.220 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc(Cl)cc1F 223116080 MTSQYTDKLUCKDF-GOSISDBHSA-N 407.938 5.439 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)CCCOc2ccc(Cl)cc2)cc1C(C)C 223320460 LACXIDOHOGIBCQ-QGZVFWFLSA-N 403.950 5.817 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccccc1Cl 224141142 CRNJCRRBJCRAQB-HNNXBMFYSA-N 413.876 5.558 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)c1 224296584 ZOTQPMZEVKRSSZ-FGZHOGPDSA-N 404.583 5.432 0 40 HKAB CCCOCc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC 224414694 BYEHJXXHLJPCDA-UHFFFAOYSA-N 401.812 5.546 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1cccc(OC)c1 224594714 XMRQWNMCAXBSMT-KRWDZBQOSA-N 423.484 5.303 0 40 HKAB Cc1ccc([C@H](NC(=O)COc2cc(C)ccc2C(C)C)c2ccccc2)c(C)c1 225260372 DDTZYOLASAWOAG-HHHXNRCGSA-N 401.550 6.020 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C 225529739 HWQRZQFWEHLTIK-UHFFFAOYSA-N 406.353 6.541 0 40 HKAB COc1ccc(Cn2c(SCC(C)C)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 225544853 OMTGATFAWUMOBF-UHFFFAOYSA-N 419.550 5.197 0 40 HKAB COC(=O)c1cccc(NC(=S)NCCCSCc2ccccc2Cl)c1C 225607037 GGVKSEFQSFQLSB-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB Brc1ccc(-c2nc3cc(C45CC6CC(CC(C6)C4)C5)ccc3[nH]2)cc1 226303566 IVPWODCHRRDCEZ-UHFFFAOYSA-N 407.355 6.460 0 40 HKAB Cc1c(C(=O)OC23CC4CC(CC(C4)C2)C3)cccc1-c1cc2ccccc2oc1=O 226357933 QWCJAMNHEGSWFL-UHFFFAOYSA-N 414.501 5.894 0 40 HKAB CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Br)c1O 409121696 ZJCBNNXPHFHPTL-UHFFFAOYSA-N 414.299 5.958 0 40 HKAB Cc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C1CCCC1 409124664 KBUATWUEKMNULB-UNOMPAQXSA-N 400.931 6.114 0 40 HKAB Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2Cl)cc1 409240110 ONIKJACIKBRJTR-UHFFFAOYSA-N 416.974 5.073 0 40 HKAB CC(=O)OC/C=C1\CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 689827 YARSPKDZIPZAQS-GWJLFCBSSA-N 400.559 5.370 0 40 HKAB Cn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1sc2ccccc2c1Cl 702415 MBQXFWJZNDQFBS-UHFFFAOYSA-N 417.918 5.464 0 40 HKAB Nc1cc(C(F)(F)F)cc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1Cl 807090 JLNCNZJWTCYYAJ-UHFFFAOYSA-N 409.578 5.048 0 40 HKAB O=C(COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)Nc1cc(Cl)cc(Cl)c1 955489 DXBCNMRMBNLYDC-DUXPYHPUSA-N 419.091 5.495 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)Nc3ccc(F)cc3)cc2c1 1353125 SDZJECLVLQNDCU-UHFFFAOYSA-N 421.497 5.271 0 40 HKAB COc1ccc(NC(=S)NCC[C@H]2[C@H](c3c(C)[nH]c4ccccc34)C2(C)C)cc1 1404510 ZZDCOZXHCBYOND-SIKLNZKXSA-N 407.583 5.601 0 40 HKAB CCc1cc(I)ccc1NC(=O)/C=C/c1ccc(Cl)cc1 1864013 HOQDPOPVYFQGFW-BJMVGYQFSA-N 411.670 5.159 0 40 HKAB CCCCc1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1 2092494 BVXPBDSGABLXJI-UHFFFAOYSA-N 417.505 6.070 0 40 HKAB biogenic COc1ccc(-c2cc(=O)oc3c(C)c4occ(-c5ccc(F)cc5)c4cc23)cc1 2223236 MSRYXNWMKYPGCX-UHFFFAOYSA-N 400.405 6.329 0 40 HKAB CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCCCC2)sc(C)c1C 2313199 YGHRYLOPVJWXRW-UHFFFAOYSA-N 410.543 5.219 0 40 HKAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(C)cc1 2399085 MEDJNWGRYCQXAY-GIGWZHCTSA-N 408.482 5.812 0 40 HKAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 2465906 KNHCKZGLNOUXNF-KRWDZBQOSA-N 424.520 5.079 0 40 HKAB Cc1ccc(CSc2nnc(NC(=O)COc3ccccc3C(C)C)s2)cc1 2660459 GAXZVYRIDBTJFE-UHFFFAOYSA-N 413.568 5.280 0 40 HKAB Clc1ccc(C2=C[C@@H](c3cccc4ccccc34)n3c(nc4ccccc43)N2)cc1 2797320 KTRUSKSUYLGQRR-VWLOTQADSA-N 407.904 6.899 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nnc(-c2ccco2)o1)c1ccccc1 3354913 BZLWBAMOCIIUDF-FQEVSTJZSA-N 401.447 5.527 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cs1 3443278 NCJZLRXVLVXKLE-GFCCVEGCSA-N 404.944 5.591 0 40 HKAB CC(=O)[C@@]12CCCC[C@@H]1C[C@@H]1[C@@H]3C[C@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 4081298 YYJQALYDDZZWSF-SNADQUGTSA-N 400.603 5.335 0 40 HKAB biogenic O=c1oc2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1C1=CCC(Cl)=C=C1 4291292 VKAKNKVRXIJXOJ-UHFFFAOYSA-N 401.676 6.832 0 40 HKAB biogenic COc1ccc(C(=O)C[C@@H](Sc2cc(OC)ccc2OC)c2ccccc2)cc1 4568166 QALCQLLHINUJJJ-HSZRJFAPSA-N 408.519 5.819 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Nc2ccccc2)cc1 4749458 AQYYGSHQTWYACI-CQSZACIVSA-N 401.293 6.143 0 40 HKAB O=C1CCCc2oc3c(Cl)cc(NS(=O)(=O)c4ccc(Cl)cc4)cc3c21 5214432 GCSJDAKHSHRAIX-UHFFFAOYSA-N 410.278 5.059 0 40 HKAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 5215494 NUXCZLOTRXNFHH-BOPFTXTBSA-N 401.315 5.449 0 40 HKAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCc4ccc(F)cc4)c(C)c3cc2c1C 5235690 UIQCLJKMFUPKIV-UHFFFAOYSA-N 421.468 5.161 0 40 HKAB Cc1cc(C)c(CSC(C)(C)CNC(=O)c2cc(Cl)ccc2Cl)c(C)c1 5378751 BZJHBMAEXJKSRB-UHFFFAOYSA-N 410.410 6.360 0 40 HKAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)cc1 6307440 QMEGJQQFLCWIGM-UHFFFAOYSA-N 406.511 5.083 0 40 HKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)ccc1C 6368758 FJHFMDSVVBHIKH-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCOc1cc(COc2ccc(C(=O)O)cc2OCC)ccc1OCc1ccccc1 6595626 QZAVXHMIJHINOG-UHFFFAOYSA-N 422.477 5.340 0 40 HKAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SC/C=C/c2ccccc2)o1 6603751 YEGQVJSGHRYIDS-BPTWVKRQSA-N 403.548 5.487 0 40 HKAB CCOc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCc1ccc(F)cc1 7537939 AHAIILZDHWZMLG-UHFFFAOYSA-N 413.920 6.055 0 40 HKAB COc1ccc(NC(=O)c2ccc(-n3nc(C)cc3-c3ccccc3)cc2)c(OC)c1 8491426 WMFLGIXUQGFMEV-UHFFFAOYSA-N 413.477 5.117 0 40 HKAB COc1ccc(/C=C/c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1 9329304 IUVFOQAQBNSVIZ-RUDMXATFSA-N 406.294 5.276 0 40 HKAB Cc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1 9607350 LUWSKJONMBUUNB-HXUWFJFHSA-N 403.869 5.218 0 40 HKAB CC(C)Cn1c(SCC(=O)c2ccccc2Cl)nnc1-c1ccccc1F 9950547 YLHMKCNWFGSROX-UHFFFAOYSA-N 403.910 5.369 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1NS(=O)(=O)c1ccccc1 10362709 PQONDVQGUZUDNO-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccc(F)cc2)cc1Cl 11914364 QDNZTFWUUOCCGQ-RWEWTDSWSA-N 424.928 6.298 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCCc2ccccc2)cc1 12419630 CDRZXJGDJZUWFG-UHFFFAOYSA-N 424.547 5.199 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3onc(C)c23)c(Br)c1 12815184 HSYIKMMUTFMXAA-UHFFFAOYSA-N 412.243 5.114 0 40 HKAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cccnc1SC(F)F 12908356 VKLIVLKUECZGBO-UHFFFAOYSA-N 411.886 5.349 0 40 HKAB Cc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3ccc(C)cc3)c2Cl)cc1 13960476 FBUCCTDLEOUPOU-UHFFFAOYSA-N 407.344 7.189 0 40 HKAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2cc3c(F)cccc3s2)cc1 14076670 FHOQIGZZZJLTLW-UHFFFAOYSA-N 418.493 5.531 0 40 HKAB Cc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)cs2)cc1 15832542 HNFMBFJQADSGKG-MRXNPFEDSA-N 414.958 5.472 0 40 HKAB COc1ccc(Nc2cc(C)nc3c(-c4ccc(F)cc4)c(C(F)(F)F)nn23)cc1 15839977 KDWOFKPITNVHGL-UHFFFAOYSA-N 416.378 5.615 0 40 HKAB O=c1[nH]c(CSCc2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 17057712 RPBHSHBPLYXRCF-UHFFFAOYSA-N 402.563 5.628 0 40 HKAB O=C(Nc1ccc(NC(=O)c2cccc3ccccc23)cc1)c1cc2ccccc2o1 17087308 ONCNPMWVHWUCCB-UHFFFAOYSA-N 406.441 6.091 0 40 HKAB C[C@H]1CCCCN1c1ccc2cccc(OCC(=O)Nc3cccc(Cl)c3)c2n1 17245339 PYORJBUCPNKLOR-INIZCTEOSA-N 409.917 5.285 0 40 HKAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(F)c(Oc3ccccc3)c1)NCC2 20506928 LDMXEAMEMHPUAB-RUZDIDTESA-N 407.485 5.651 0 40 HKAB COc1ccc2ncc3c(-c4ccc(C)cc4)nn(CC(=O)Nc4ccccc4)c3c2c1 21541049 FFPNDDBQUOUYJI-UHFFFAOYSA-N 422.488 5.207 0 40 HKAB CC(C)(C)c1ccc(NC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc1 22606369 MNKCJTABZRBYBC-UHFFFAOYSA-N 424.570 5.050 0 40 HKAB CC(C)[C@H](NCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1ccc(F)cc1 23908061 UZFJEHGXBGSTCG-NRFANRHFSA-N 407.514 5.278 0 40 HKAB CSc1cccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)c1 28437116 MNBDMIIBPTZDPE-UHFFFAOYSA-N 405.548 5.601 0 40 HKAB COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1O 28975117 GZWXHAKNPLJOPT-CHHVJCJISA-N 412.319 5.113 0 40 HKAB O=C(CSc1nnc(-c2cccs2)o1)Nc1ccccc1Cc1ccccc1 33738267 BOPKPOGTQLCVKV-UHFFFAOYSA-N 407.520 5.120 0 40 HKAB COc1ccc(-c2nc(CS(=O)(=O)Cc3ccc(C(C)C)cc3)cs2)cc1 40106190 WFEKCPJYCVPJAF-UHFFFAOYSA-N 401.553 5.057 0 40 HKAB Oc1nc(/C(Cl)=C/c2csnn2)nc2scc(-c3ccccc3Cl)c12 40139792 XSUAENSUJUZJKH-XGICHPGQSA-N 407.307 5.306 0 40 HKAB CCc1ccc(Cl)c(CC)c1NC(=O)N(C)CC(=O)Nc1c(C)cccc1C 43388933 BHNMFXUOWGPFKY-UHFFFAOYSA-N 401.938 5.184 0 40 HKAB CCCCOc1ccc(-c2cc3c(SCc4cccc(F)c4)nccn3n2)cc1 45925386 CJMMWHHWEBOHOP-UHFFFAOYSA-N 407.514 6.007 0 40 HKAB O=C(c1cn(CCOc2ccccc2)c2ccc(Br)cc12)C(F)(F)F 59109415 FAYXJUIHUUYNHV-UHFFFAOYSA-N 412.205 5.228 0 40 HKAB O=C(Nc1ccc(F)c(F)c1)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 64472753 PCVVSWUNBNEAJK-UHFFFAOYSA-N 414.864 6.390 0 40 HKAB c1ccc2c(c1)-c1ccccc1C2CCCCCC1c2ccccc2-c2ccccc21 68568388 WAAXOJNYZDWMRN-UHFFFAOYSA-N 400.565 8.562 0 40 HKAB biogenic O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC(O)(c2ccc(Cl)cc2)CC1 72403170 YKHSRWGFYTXCPK-UHFFFAOYSA-N 416.304 5.377 0 40 HKAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@H]1CCCc2ccccc21 84597285 RHOKHTKDHPJTDJ-SFHVURJKSA-N 409.917 5.247 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3nc(-c4ccccc4C)oc3c2)cc1 98086901 ZRGAQNKTRHQUKR-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@]12CC[C@@](C)(c3nc4ccccc4nc31)C2(C)C 100285632 VZEUSNXHMWPBRL-ZEQRLZLVSA-N 421.928 5.260 0 40 HKAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(C(C)(C)C)cc1 104078976 QSVDONWGKCFINS-RUZDIDTESA-N 416.565 6.797 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)c1 224231147 HXZLXVDXINPONJ-DHIUTWEWSA-N 402.567 5.484 0 40 HKAB CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1O 224875885 OJEFTQCRGTWELC-VQTJNVASSA-N 412.946 5.000 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)NCc1ccco1 225327127 ZEMJLESFTQZIBW-UHFFFAOYSA-N 417.292 5.088 0 40 HKAB Fc1ccc(CSCCCNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225616323 XOHNUVLUWBPAKE-UHFFFAOYSA-N 418.603 5.757 0 40 HKAB CCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 225716396 QQAIJZWRFPQGSN-CZSZKKDXSA-N 416.606 5.254 0 40 HKAB CCOc1ccc([C@@H](C)NC(=S)Nc2cccc(OC(C)C)c2)cc1OCC 225751691 ZNBXAWSMMQISKN-MRXNPFEDSA-N 402.560 5.319 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c2ccccc12 225761875 QQPNUFKZJHAZJA-UHFFFAOYSA-N 405.513 6.608 0 40 HKAB O=C(Cc1ccc(Cl)cc1F)NCc1ccc(OCc2ccc(F)cc2)cc1 225782771 CIRXSLLOULPRPN-UHFFFAOYSA-N 401.840 5.056 0 40 HKAB CCOC(=O)c1cc(NC(=S)NC2(c3cccs3)CCCC2)ccc1Cl 225866345 IURJDNSCWZDOMN-UHFFFAOYSA-N 408.976 5.334 0 40 HKAB CCO[C@]1(C(=O)Nc2ccc(OCCCN3CCC[C@H](C)C3)cc2)CCC[C@@H](C)C1 260812625 HXZRBLHJDVOPBD-TYBLODHISA-N 416.606 5.111 0 40 HKAB CCCc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(CC)c1-c1ccc(Cl)cc1 408562468 PVGJSLJJDUUZPQ-FLFQWRMESA-N 419.377 6.237 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(F)cc3)n2)c1C 408697805 JSKIDVKSJBRUNM-UHFFFAOYSA-N 404.420 5.082 0 40 HKAB Cc1cccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1C 409114903 RBZOGIXUDJAFNM-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1cccc(Br)c1 409156442 NTEZPJMIAGYBDE-OVCLIPMQSA-N 424.703 5.045 0 40 HKAB CCOc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1cccc(F)c1 409181376 BVXRYRPYVQXKJX-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 409250107 WBFABEWWOOEOFK-PBSOMRJOSA-N 405.281 5.268 0 40 HKAB O=C1S/C(=C\c2ccc(F)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 409355405 DAPSKSXLGVTPJZ-ZSOIEALJSA-N 412.667 5.483 0 40 HKAB O=C(Nc1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1)Nc1ccccc1F 508268664 ZTVAROGBRWIKAI-UHFFFAOYSA-N 417.362 5.741 0 40 HKAB Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)CSc1ccc(F)cc1 585151639 SBOCESJMNRLJFF-UHFFFAOYSA-N 409.511 5.537 0 40 HKAB COc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1OC 849035 PFMOLACAWFSXKL-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)c1 919484 JNTLIYWVNRAPOU-PBHICJAKSA-N 404.392 5.006 0 40 HKAB COC(=O)c1ccc(CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1 948023 NVDCCKPNBYXIDV-UHFFFAOYSA-N 416.911 5.684 0 40 HKAB CC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC(=O)COc3ccccc3)cc12 974558 AATVQPKYYWKQBR-UHFFFAOYSA-N 413.473 5.185 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C(=O)Nc3cccc(C)c3C)ccc2Cl)cc1 1006646 ZCCVXCAROUMGNM-UHFFFAOYSA-N 422.912 5.860 0 40 HKAB Cc1cccc2cc(CN(C(=O)Nc3ccccc3F)C3CCCCC3)c(=O)[nH]c12 1378165 YYTYGXIBBHRYHF-UHFFFAOYSA-N 407.489 5.342 0 40 HKAB CCc1cccc(CC)c1NC(=O)/C=C/c1ccc(OCc2ccccc2)c(OC)c1 1777354 LKYYRKZQFFMAOQ-BMRADRMJSA-N 415.533 6.051 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)C[C@H](C(C)C)OC3 1829180 HISFHJJUIHLSDA-MRXNPFEDSA-N 406.617 5.563 0 40 HKAB CCCCCCNC(=O)C[C@H](c1ccccc1)c1cc(Br)ccc1O 2190832 UCICKXNYLDPHKR-GOSISDBHSA-N 404.348 5.373 0 40 HKAB Fc1ccc(-c2nnc(Oc3ccc(Cc4ccccc4)cc3)c3ccccc23)cc1 2679479 BIMNFRYPOCEIRY-UHFFFAOYSA-N 406.460 6.819 0 40 HKAB O=Cc1cc(Br)cc(Br)c1OCc1ccccc1Cl 2767986 TXCHSYSJZRANKR-UHFFFAOYSA-N 404.485 5.257 0 40 HKAB O=C(CSc1ccc2ccccc2c1Br)OCC(=O)c1cccs1 3238484 LTGVLTNCJPBUAX-UHFFFAOYSA-N 421.337 5.182 0 40 HKAB Cc1cccc(-n2c(SCC(=O)Nc3ccc(N(C)C)cc3)nc3ccccc32)c1 3318660 MMSVDOYEZKEJKE-UHFFFAOYSA-N 416.550 5.131 0 40 HKAB O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cccc(Br)c3)[C@H]12 4119528 MMLHVFADLFMJOB-UGKGYDQZSA-N 420.331 6.229 0 40 HKAB COc1cccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)c1 4310751 WXLQTQPELMKKKT-HTHCSZCSSA-N 424.544 6.293 0 40 HKAB Cc1ccc(COc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)cc2)cc1 4599083 FBUVSVMESOKNFF-INIZCTEOSA-N 416.546 5.664 0 40 HKAB CCc1cc2ccccc2nc1SCC(=O)Nc1ccccc1Br 4849227 AYYWOBVDDFNYHQ-UHFFFAOYSA-N 401.329 5.291 0 40 HKAB CC[C@H](C)Sc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(C)cc1 4875231 SRDATKZFHDYREC-AWEZNQCLSA-N 405.516 5.513 0 40 HKAB O=c1c(Cl)c(Nc2ccc3ccccc3c2)cnn1C12CC3CC(CC(C3)C1)C2 4885507 HJNLAVNXHZDWRA-UHFFFAOYSA-N 405.929 5.719 0 40 HKAB Cc1cc(C(=O)COc2ccc3oc4c(c3c2)CCCC4)c(C)n1Cc1cccs1 5937760 MKZAJEMWMDSJQW-UHFFFAOYSA-N 419.546 6.101 0 40 HKAB COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccc(C)cc3Cl)nc2c1 6233584 HLNGVKOPRDOMFS-UHFFFAOYSA-N 406.869 6.026 0 40 HKAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 6309499 YJHBOMBRXQTWOH-MRXNPFEDSA-N 411.954 6.132 0 40 HKAB Cc1c(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)sc2cccc(F)c12 7785736 WNWOHRWMHZVAJG-OAQYLSRUSA-N 413.514 5.637 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccccc4C)cc3)nc2c1 8196620 SFGXFIXETDUCEO-QGZVFWFLSA-N 414.505 6.334 0 40 HKAB Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)c1ccc(C(F)(F)F)cc1 8609290 BFWWFWKVYIGLPX-UHFFFAOYSA-N 424.875 5.763 0 40 HKAB CCCCCC[C@@H](O)C/C=C\CCCCCCc1c(O)nc(S)nc1C(=O)OC 8655452 VMPUSPLQIAFVDX-QJWNTBNXSA-N 424.607 5.028 0 40 HKAB C[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccccc1Sc1ccccc1 9385620 AOTJOROJDVTCHH-MRXNPFEDSA-N 417.490 5.294 0 40 HKAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2Cl)CSC3)c(C)c1 9404462 RDBRYAHFNIZNLO-UHFFFAOYSA-N 418.349 5.795 0 40 HKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccco2)n(CCCOC(C)C)c1C 9421204 DTRVKBGBXIAIKV-UHFFFAOYSA-N 420.513 5.309 0 40 HKAB CCOc1cccc2c1O[C@H](c1cccs1)N1N=C(c3ccc4c(c3)OCO4)C[C@H]21 10215811 NVJUZPUYIFHPJK-UZUQRXQVSA-N 420.490 5.118 0 40 HKAB COc1cc(OC)c(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)cc1Cl 11601491 UTVMPDMZQVAFDS-UHFFFAOYSA-N 420.296 5.065 0 40 HKAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCCC[C@@H]1c1nc2ccccc2s1 12887697 HRZOVSRBTBHVAG-FMAYLGMYSA-N 420.534 5.225 0 40 HKAB Cc1cccc(C)c1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 15881170 JSBFUOOUMSKDPA-UHFFFAOYSA-N 401.506 5.848 0 40 HKAB CCc1ccccc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 17089493 JXYRHFDNADHWNY-UHFFFAOYSA-N 413.340 5.292 0 40 HKAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)c1 17090881 PABPDIWUIGIZSR-UHFFFAOYSA-N 416.852 5.273 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4C)ccc3o2)c(C)c1 17092484 WKUATWYXQHOJRV-UHFFFAOYSA-N 420.896 6.091 0 40 HKAB CCOC(=O)C1=C(C)NC(C)=C2C(=O)Oc3c(Cl)cc(C4CCCCC4)cc3[C@H]12 19690609 NNXGOTXFFHSZFH-HXUWFJFHSA-N 415.917 5.105 0 40 HKAB Cc1nn(C(C)C)c(C)c1CN1CCO[C@@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 19693516 HGTYNYUXAXTHKX-XMMPIXPASA-N 424.976 5.370 0 40 HKAB Nc1c(Cl)cc([C@H](O)CNC2c3ccccc3CCc3ccccc32)cc1Cl 19801784 KNHAYJPWZAIJQG-OAQYLSRUSA-N 413.348 5.087 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1c(F)c(F)c(F)c(F)c1F 20143188 UNSMZKCIGMQVRM-UHFFFAOYSA-N 417.717 5.040 0 40 HKAB CC1CCC(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)CC1 20569701 XIRORTQJAFOMHZ-LAGYLCCXSA-N 409.917 5.422 0 40 HKAB CCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c1 26124386 UDVUFERFJUHMMK-UHFFFAOYSA-N 406.873 5.033 0 40 HKAB NC(=O)c1ccc(-c2nnc(Nc3ccc(C(F)(F)F)cc3)c3ccccc23)cc1 27788786 ZIFCHQXUCAOZCF-UHFFFAOYSA-N 408.383 5.158 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCCC3)oc2c1 27993355 PMYGNDXMDMAQCY-NRFANRHFSA-N 424.972 5.968 0 40 HKAB Cc1cc([C@@H]2CCCN2C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)no1 29247757 HYLUFIFPRGWKKZ-INIZCTEOSA-N 421.444 5.411 0 40 HKAB Cc1ccccc1-c1nc(-c2ccccc2OCC(=O)Nc2cccc(Cl)c2)no1 33325032 CGNBNORZYQMBAT-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38849505 WWMLZYUOWYTXPH-AWEZNQCLSA-N 411.760 5.806 0 40 HKAB CN(c1ccccc1)c1ccccc1NC(=O)CCc1ncc(-c2ccccc2F)o1 40114558 RMHUECHNXXLBPG-UHFFFAOYSA-N 415.468 5.820 0 40 HKAB O=C(NCc1cccc(COCc2ccccc2)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1 44524014 PMEXUECNIUSGJZ-RTWAWAEBSA-N 405.460 5.388 0 40 HKAB CSc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)c1 46078713 ZBIDINGDMPBVCN-UHFFFAOYSA-N 416.546 5.562 0 40 HKAB COc1ccc(NC(=O)N[C@H](c2cccs2)C(C)(C)C)cc1N1CCCCC1=O 48231364 TYOWYGKADNROCW-HXUWFJFHSA-N 415.559 5.183 0 40 HKAB CCc1ccc(CNC(=O)c2cc(-c3sc(-c4ccc(F)cc4)nc3C)n[nH]2)cc1 48986645 UZGZHPVOYJKSLB-UHFFFAOYSA-N 420.513 5.140 0 40 HKAB Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCCC3)cc1 58886086 GHGSWQVYXRKDNY-UHFFFAOYSA-N 424.953 6.093 0 40 HKAB COC(=O)c1cc(Nc2ccc(OCc3ccccc3)cc2)c2cccc(F)c2n1 65033710 FGTDYWMLAPUCNK-UHFFFAOYSA-N 402.425 5.483 0 40 HKAB Cc1cc(Br)c(NC(=O)N[C@@H](CCCO)c2ccccc2)cc1Cl 95943822 BUGHPYZGTJFKDS-INIZCTEOSA-N 411.727 5.046 0 40 HKAB Clc1ccc([C@H](c2c(-c3ccccc3)[nH]c3ccccc23)N2CCOCC2)cc1 96318769 HDTNDIDIUMPNLN-RUZDIDTESA-N 402.925 5.910 0 40 HKAB CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@@H]1c1ccccc1 100429281 UXMSOTAOHFGXBS-IDISGSTGSA-N 408.501 6.257 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@H](c4ccc(F)c(F)c4)Oc4ccc(Cl)cc4[C@H]3C2)c1 102765233 VACGZMOFKIXJDH-VWNXMTODSA-N 424.878 6.477 0 40 HKAB CC(C)c1ccc(NC2=C[C@H](c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 103672142 YLHBUQIIKYYCIG-HHHXNRCGSA-N 410.561 7.017 0 40 HKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 222890498 NNEPJCZZCQXDPR-MFWYUJQYSA-N 417.593 6.513 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 223029650 LMBZICSLFBCVDE-YADHBBJMSA-N 403.950 5.718 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccc(C)c(C)c1 224081012 NDMKRLFYOQHJJM-LEYFIJQKSA-N 418.562 5.403 0 40 HKAB O=C(COc1ccc(Cl)cc1Br)Nc1ccc2c3c(cccc13)CC2 224247056 LOODMEBLWSSHSB-UHFFFAOYSA-N 416.702 5.372 0 40 HKAB CCOCc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OC 224408873 ZJDIRMZLLUFCKO-UHFFFAOYSA-N 423.896 5.368 0 40 HKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 224428634 SXWZBARIGOGEIX-VXKWHMMOSA-N 406.530 5.314 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccc(C(C)(C)C)cc1 224518417 QEPLLMZLXURYQL-UHFFFAOYSA-N 423.597 6.414 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1cccc(OC)c1 224585505 CQBUBOOROAPYCI-GOSISDBHSA-N 405.494 5.164 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1ccc(OC)cc1 224597374 TUGQASPADJGQEA-UHFFFAOYSA-N 419.521 5.796 0 40 HKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)ccc1F 224896276 SFXMQEWMISGUCF-DHIUTWEWSA-N 422.573 5.705 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C)c3ccc(F)cc3)o2)cc1 224914903 QYKIAWKJDYBPSC-INIZCTEOSA-N 416.452 5.647 0 40 HKAB COc1ccccc1[C@H](C)NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 225411978 QIJYZPSQJMPIRK-HNNXBMFYSA-N 421.368 5.091 0 40 HKAB Cc1cc(NC(=O)C2(c3ccccc3F)CCCC2)ccc1OCc1ccccc1 225517889 GAVDRCVBZQEKBT-UHFFFAOYSA-N 403.497 6.164 0 40 HKAB COc1ccc(OC)c([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2Cl)c1 225655368 KOKOBHBOICJCFP-GFCCVEGCSA-N 414.354 5.121 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@H](CC)c2ccc(C)c(C)c2)cc1Cl 225711890 SWCXUVQHIAWARY-LJQANCHMSA-N 404.963 5.571 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)cc1Cl 225765859 IQRXGKGEXGJASQ-FQEVSTJZSA-N 418.990 5.817 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225848152 QEMAVRVOGXFRCT-UUOWRZLLSA-N 421.578 5.745 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225908890 IYTLXLDVQCMZKC-DEOSSOPVSA-N 400.563 5.974 0 40 HKAB C[C@@H]1C[C@@H](C)CN(C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)C1 231433062 OVAHSFANFACHDY-SJBKTWHCSA-N 419.650 5.016 0 40 HKAB COc1ccccc1-c1ccc(CC2(C(=O)NCc3cccs3)CCOCC2)cc1 257297163 RGDPQJCBKSHSMS-UHFFFAOYSA-N 421.562 5.079 0 40 HKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)n1 257328715 XGVBQZFQPQOXFK-OAQYLSRUSA-N 424.548 5.272 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccc(Cl)c(C)c3)N21 260772046 MFTIKJBZPYVITI-XGRCMKMKSA-N 422.985 5.814 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1C 408677306 CIECTGVTLVCPNT-FQEVSTJZSA-N 405.563 6.310 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2ccccc2)c1 408698083 NLWFZHJMONDLBG-UHFFFAOYSA-N 404.473 5.648 0 40 HKAB CCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccc(C)c(C)c1 408824308 HWKJQSBUGDNABD-UHFFFAOYSA-N 408.611 6.534 0 40 HKAB CC1=C(c2ccccc2)N[C@@H](NC(=O)CCCOc2ccc(Cl)cc2Cl)S1 408911100 IWBOSZWFOQMNAE-HXUWFJFHSA-N 423.365 5.277 0 40 HKAB O=C1S[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccccc1 409161222 KZWNSHYFVOPNKU-QFIPXVFZSA-N 403.503 5.072 0 40 HKAB Fc1ccc(COc2ccc(CNc3ccccc3Cl)cc2Br)cc1 409182508 LVSAJMMPXADUEC-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB Cc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ccc(Cl)nc3)cs2)cc1 585295224 QSJOLEZEGJFJBI-SFHVURJKSA-N 412.946 5.089 0 40 HKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)c1ccc(OC(F)F)cc1 710407 WJEFIOLWCQYLOH-UHFFFAOYSA-N 406.479 5.147 0 40 HKAB COc1ccc(C(=O)[C@@H](C)Oc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 992992 UHKCDARKXGLZIX-OAHLLOKOSA-N 409.869 5.251 0 40 HKAB COc1ccccc1C1=N/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)O1 1021428 PFBUVBXINMIWOF-SFQUDFHCSA-N 424.250 5.062 0 40 HKAB COc1ccc(-c2csc(N3CCn4c5c(c6cc(C)ccc64)CCC[C@@H]53)n2)cc1 1074988 VHOCQZAAVRYCQG-QHCPKHFHSA-N 415.562 5.979 0 40 HKAB N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 1292370 FOMZEBIEBOYKJM-INIZCTEOSA-N 419.337 5.393 0 40 HKAB Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 1380125 ABXVSFFMVRRWAF-QHCPKHFHSA-N 420.484 5.174 0 40 HKAB CC(C)(C)c1cc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc(C(C)(C)C)c1O 1816470 KHIKJXCMDHIUIT-SFTDATJTSA-N 420.553 5.157 0 40 HKAB biogenic CC(C)c1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)cc1 2088304 RTJGNFZLTSHNNN-UHFFFAOYSA-N 400.909 6.931 0 40 HKAB CCCOC(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)c(Br)c2)cc1 2135339 VNTKOYZKYKJRGM-UHFFFAOYSA-N 418.331 5.566 0 40 HKAB COc1cccc(-c2coc3c2c(C)cc2oc(=O)c(Cc4ccccc4)c(C)c23)c1 2146579 NMUQRPSYJHVEOQ-UHFFFAOYSA-N 410.469 6.422 0 40 HKAB biogenic CC(C)(C)c1ccc(-c2nn(CNc3cccc(C(F)(F)F)c3)c(=S)o2)cc1 2188677 GLDWZFHHFGFZBM-UHFFFAOYSA-N 407.461 6.258 0 40 HKAB CCc1c(C(=O)Nc2ccccc2)c(C)nc2sc(C(=O)c3cccs3)c(N)c12 2258960 SFWJUGFBLLBIGY-UHFFFAOYSA-N 421.547 5.294 0 40 HKAB CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccccc1 2376189 WDPCUABBFTUIEB-RNAHPLFWSA-N 422.509 6.284 0 40 HKAB C[C@@H]1C[C@@H](OC(=O)c2ccccc2C(=O)O[C@H]2C[C@H](C)CC(C)(C)C2)CC(C)(C)C1 2545167 ATHBXDPWCKSOLE-FGYAAKKASA-N 414.586 6.430 0 40 HKAB COc1cc(-c2nc3ccccc3s2)ccc1OCc1cccc(C(F)(F)F)c1 3282821 TXTJLLLYDRKZCJ-UHFFFAOYSA-N 415.436 6.570 0 40 HKAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)Nc3nc4c(C)cccc4s3)c2C)cc1 3413388 REDPOIXRFJBONF-OUKQBFOZSA-N 416.550 5.427 0 40 HKAB O=C(CSc1cn(Cc2ccccc2Cl)c2ccccc12)Nc1ccc(F)cc1 3582039 IKXBJEPTJBRBLL-UHFFFAOYSA-N 424.928 6.213 0 40 HKAB CC1(C)c2ccccc2N2CC(=O)N(Cc3ccccc3)[C@]21/C=C/c1ccc(F)cc1 4117470 MYAQFXSTQXHLBF-HPEPBICTSA-N 412.508 5.375 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 4657274 BKGHHJSDHVFNRT-UKRRQHHQSA-N 410.783 5.042 0 40 HKAB CCc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)cc1 4699708 IXTBGRXABBCWTG-UHFFFAOYSA-N 420.896 6.037 0 40 HKAB Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 4812358 JQZQIJFMKOOPFP-PKTZIBPZSA-N 412.880 5.144 0 40 HKAB CN(C)P(=NC(=S)N1CCCCCC1)(N(C)C)C12CC3CC(CC(C3)C1)C2 5445410 WCYIUODIGSRCCT-UHFFFAOYSA-N 410.612 5.271 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@@H](Cc2ccccc2)c2ccccc2)cc1 5499824 SMPQYTWGGCRLFI-QFIPXVFZSA-N 404.535 5.134 0 40 HKAB COc1ccc(/C=C(/NC(=O)c2ccccc2)c2nc3ccccc3s2)c(OC)c1 5810847 ZFCZPESPXDOQGX-XSFVSMFZSA-N 416.502 5.242 0 40 HKAB CCCCCC1CCC(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)CC1 5951068 RCOGFLTYOIMFSX-UHFFFAOYSA-N 418.408 8.100 0 40 HKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1C 6161539 QCMRGEOQFXPUPO-UHFFFAOYSA-N 420.365 5.708 0 40 HKAB COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=C[C@H](OC)[C@]12C 6182920 PKKAVGRGAYJIIP-PQISIGRFSA-N 418.618 5.141 0 40 HKAB Cc1ccccc1OC[C@H](COC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1 6491557 YHAXHQQDFSXBAM-OAQYLSRUSA-N 420.465 5.240 0 40 HKAB CCCn1c(C)cc(-c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)c1C 6997264 RSTKMDKETQUESI-UHFFFAOYSA-N 407.461 5.910 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(N2CCCC2)cc1 7382722 VSLQDDVNEYYTQA-UHFFFAOYSA-N 400.566 6.007 0 40 HKAB CCCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)S/C1=N\c1ccc(C)cc1 7457214 AJBJRNWOYIRQKU-LBMUFILHSA-N 403.551 5.984 0 40 HKAB O=C(NCCc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl 7573126 KKOYOOUHBLRLQJ-OAQYLSRUSA-N 414.336 5.152 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(CSc2ncn[nH]2)cc1 7988850 ZRICAMSTDBQYIB-UHFFFAOYSA-N 402.479 5.142 0 40 HKAB C[C@H](Oc1ccccc1)C(=O)NCCSc1c(-c2ccccc2)[nH]c2ccccc12 8238956 YNCXEIWKGXPASL-SFHVURJKSA-N 416.546 5.511 0 40 HKAB COc1ccc(N(Cc2cccs2)C(=O)CSc2nc3ccccc3o2)cc1 8313397 HPTXBARNIDWQRV-UHFFFAOYSA-N 410.520 5.223 0 40 HKAB O=[S@](Cc1cc(Oc2ccccc2)nc(-c2ccccc2)n1)c1ccc(Cl)cc1 8762857 HCPSNFDUENPLSU-LJAQVGFWSA-N 420.921 5.897 0 40 HKAB CCCn1c(C(O)(c2nc3ccccc3n2CCC)C(F)(F)F)nc2ccccc21 8778689 FSVCEDJYRCIDLZ-UHFFFAOYSA-N 416.447 5.004 0 40 HKAB Cc1ccccc1NC(=O)CSc1nnc(C(c2ccccc2)c2ccccc2)o1 9199878 XDRLFAHMVHKROC-UHFFFAOYSA-N 415.518 5.289 0 40 HKAB O=C1S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1c1ccccc1 9296641 NASKQAUXACJRGG-KGENOOAVSA-N 421.905 6.160 0 40 HKAB CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)n1 9573385 VFPSABXDZHUPAA-UHFFFAOYSA-N 409.578 5.674 0 40 HKAB Cc1ccc(CN(C)C(=O)CSc2ncnc3sc(-c4ccccc4)cc23)o1 9742946 HLLJWBMODUXFTM-UHFFFAOYSA-N 409.536 5.010 0 40 HKAB O=C(c1cnn(-c2ccccc2)c1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235924 FQMOZFBLUIBGAM-UHFFFAOYSA-N 422.941 5.155 0 40 HKAB COc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc1 10272279 ISQVBKWANUTMNE-PQFTVNBJSA-N 408.582 5.661 0 40 HKAB biogenic Cc1cccc(-n2c(C)nnc2SCC(=O)N(Cc2ccco2)C2=CCCCC2)c1 11023881 HZCOBCIAQOANDR-UHFFFAOYSA-N 422.554 5.056 0 40 HKAB Cc1cccc(N2C(=O)C(Cl)=C(NC3CCCCCCCCCCC3)C2=O)c1C 12374241 VLYCTHLCZKLCBF-UHFFFAOYSA-N 416.993 5.890 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1 12602514 MAZTZXWBVKULEA-OAHLLOKOSA-N 423.513 5.021 0 40 HKAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@@H]4CCCC[C@@H]4Cc4ccco4)[C@H]3C=C12 12659997 YEXCLAFCAHCLGV-WFHDTAKJSA-N 411.586 5.285 0 40 HKAB O=C(CSc1nnc(NCc2ccco2)s1)c1cc2cc(Cl)ccc2o1 12749898 LXMPRLSAEWVADK-UHFFFAOYSA-N 405.888 5.118 0 40 HKAB CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)C[C@@H]1C=CCC1 12784479 QPKJKUVWSFBFQP-LJQANCHMSA-N 419.956 5.567 0 40 HKAB Cc1ccc(-c2nnc(SCc3ccc(C(C)(C)C)cc3)n2CCC(=O)O)cc1 12817468 COGKFHVCQYBGBZ-UHFFFAOYSA-N 409.555 5.318 0 40 HKAB O=C(NCCSCc1ccccc1F)c1ccccc1SCc1ccccc1 13671524 BGEKLRZSCLVDPR-UHFFFAOYSA-N 411.567 5.781 0 40 HKAB Clc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 13777006 QNIRSIRURLBZAG-AUSIDOKSSA-N 404.853 5.311 0 40 HKAB CCOc1cc2c(cc1NC(=O)c1cc(C(C)C)nc3c1cnn3C(C)C)O[C@H](C)C2 14067235 ZLCDOYYRPJEDAB-OAHLLOKOSA-N 422.529 5.110 0 40 HKAB O=C(CSc1nc2ccccc2s1)N1CCC[C@@H]1c1nc2ccccc2s1 14196502 FEDRHMVMFPEWAG-OAHLLOKOSA-N 411.577 5.362 0 40 HKAB Cc1cc(C[C@@H]2CCC[C@H]2N(Cc2ccncc2)Cc2c(F)cccc2Cl)on1 19120463 ZAVZTDVJNABFCB-FDDCHVKYSA-N 413.924 5.584 0 40 HKAB Cc1nc([C@]2(O)CCCN(CC(C)(C)C)CC2)sc1COc1ccc(F)c(F)c1 19705279 YFTAVLKRPKMMRV-QFIPXVFZSA-N 424.557 5.028 0 40 HKAB O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(-c2nc3ccccc3o2)cc1 21531198 MBFRSKIYBCMQLS-UHFFFAOYSA-N 410.433 5.116 0 40 HKAB CCOC(=O)Nc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1 24466640 UARKHKZCVNXLNW-UHFFFAOYSA-N 400.525 5.221 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cc(-c5ccccc5)on4)cc3)sc2c1 27664566 PLGRKELYPQPLBB-UHFFFAOYSA-N 411.486 6.179 0 40 HKAB CC1CCN([C@@H](CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2ccccc2)CC1 28296182 SFZVWOPOLZLNES-QFIPXVFZSA-N 423.944 5.198 0 40 HKAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H]1CCSc2ccc(F)cc21 31712054 AQPQKUWKBABQAZ-YGRLFVJLSA-N 400.302 5.253 0 40 HKAB C[C@H]1SC2(CCC(C(C)(C)C)CC2)N(c2ccc(Oc3ccccc3)cc2)C1=O 32119711 WPPUOCBICPDQGG-VLNJMECTSA-N 409.595 6.880 0 40 HKAB CCOC(=O)c1sc2nc(/C(Cl)=C/c3cccc(OCC)c3)nc(O)c2c1C 40139670 NWWRMARDRRYICB-UVTDQMKNSA-N 418.902 5.018 0 40 HKAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2cc(F)ccc2F)c1OC(C)C 40268809 OEFVPCXXSKFKHE-HNNXBMFYSA-N 413.424 5.070 0 40 HKAB CC(C)C[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 44885180 RNPBKGSBZGRNES-DEOSSOPVSA-N 424.009 7.150 0 40 HKAB COc1cccc([C@@H]2CC(O)=Nc3c(-c4cccc(Cl)c4)nsc32)c1OC 44918528 GZEYFSUGSZKOGY-AWEZNQCLSA-N 400.887 5.604 0 40 HKAB Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(C(C)C)n(C(C)(C)C)n1 48289831 KOQAXWYIUSXPTI-UHFFFAOYSA-N 404.558 5.308 0 40 HKAB Cc1ccc2c(Nc3ccc(F)c(Cl)c3)c(C(=O)N3CCC(C)CC3)cnc2n1 49005424 ZJMLLIPJJXCWIS-UHFFFAOYSA-N 412.896 5.346 0 40 HKAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@@H](c3cccc(Cl)c3)N1CC2 57731807 DZRJWVIGUKIGBT-BJKOFHAPSA-N 406.913 5.429 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cc(F)ccc3Cl)oc12 67293561 ASSBXQFIJKDDMZ-ROMGYVFFSA-N 423.831 5.114 0 40 HKAB O=C(Cn1ccc(=O)c2ccccc21)Nc1cc(Cl)ccc1Oc1ccccc1 72034306 JIWAWUWWJLHOQS-UHFFFAOYSA-N 404.853 5.086 0 40 HKAB CC(=O)N1CC[C@@H](c2c(C(=O)Nc3cccc(OC(C)C)c3)sc3ccccc23)C1 72352604 WDSDPTUNRAFWKG-QGZVFWFLSA-N 422.550 5.277 0 40 HKAB O=S(=O)(c1cc(Cl)ccc1Cl)N(Cc1ccoc1)Cc1cccs1 90748022 IUFGIKKLGNQTDD-UHFFFAOYSA-N 402.324 5.039 0 40 HKAB Cc1c(-c2nnc3sc(C(C)(C)Oc4ccc(Cl)cc4)nn23)oc2ccccc12 96194365 RKJVMQPHCPRXMT-UHFFFAOYSA-N 424.913 5.875 0 40 HKAB O=c1[nH]c2c(s1)[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100922128 VTAYVTORGQTMSX-JBYOPCTKSA-N 421.587 5.668 0 40 HKAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1cccc(OCc2ccc(Cl)cc2)c1 205709244 MPDYRGVGIUFXJV-CIAFOILYSA-N 407.828 5.403 0 40 HKAB O=C(NCc1cccc2ccccc12)C1CCN(Cc2ccc(Cl)cc2F)CC1 222898705 HCTQDFVLKNSVPB-UHFFFAOYSA-N 410.920 5.161 0 40 HKAB COc1ccc2cc(S(=O)(=O)Nc3ccccc3Sc3ccccc3)ccc2c1 223942267 NNUJCFZHIKWYPB-UHFFFAOYSA-N 421.543 5.800 0 40 HKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 224395413 IGRCNJIKCBPABX-YADHBBJMSA-N 406.530 5.314 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccc(C)c(C)c1 224622649 LASXNGZGTQSVEL-UHFFFAOYSA-N 419.477 5.262 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)NCCSCc1ccccc1Cl 225368229 SRGCRIMYJPSBQJ-UHFFFAOYSA-N 402.774 5.629 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cccnc1-c1cccs1 225759974 VOIINERGMXQQMO-UHFFFAOYSA-N 409.898 5.357 0 40 HKAB COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ccccc34)CCCCC2)cc1 225768852 GGCAVKDVVITCBK-UHFFFAOYSA-N 417.549 6.476 0 40 HKAB Cc1cccc(CNC(=S)c2ccc(OCc3c(Cl)cccc3Cl)cc2)c1 408571853 CVKGXSPMKWVFME-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB CCOc1cc(C(=S)NCc2cccc(C)c2)ccc1OCc1ccc(F)cc1 408573814 KTKNJBUFIXNIFQ-UHFFFAOYSA-N 409.526 5.577 0 40 HKAB Cc1sc(Nc2cccc(Cl)c2Cl)nc1-c1ccc(Br)cc1 409045323 GFZYQUKMCNTYPB-UHFFFAOYSA-N 414.155 6.931 0 40 HKAB COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1cccc(Cl)c1 409181560 DDRHXAOXPSYYGG-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB Clc1ccc(OCc2ccc(Cl)c(Cl)c2)c(-c2nc3ccccc3s2)c1 409196311 YUJSZAPEHLWBGO-UHFFFAOYSA-N 420.748 7.503 0 40 HKAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(Cl)cc3Cl)n2C)cc1 409203027 VWRKEOMPNMAMMO-QOCHGBHMSA-N 407.322 5.119 0 40 HKAB COc1cc(Br)c(NC(=O)c2cccc(Cl)c2)c(Br)c1 704750 NPHRDPCEMWVMFB-UHFFFAOYSA-N 419.500 5.126 0 40 HKAB CC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 1327149 AZROIIFLRQWXQV-UHFFFAOYSA-N 414.596 5.162 0 40 HKAB Cc1ccc2cc(CN(C(=O)Nc3ccc(F)cc3)C3CCCCC3)c(=O)[nH]c2c1C 1378338 GZFJFFCMNLRAFN-UHFFFAOYSA-N 421.516 5.651 0 40 HKAB CC1CCN(C(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)CC1 1378860 UKDQOYZMWRQYDG-UHFFFAOYSA-N 403.617 5.044 0 40 HKAB Cc1ccc(S(=O)(=O)c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)cc1 1400390 OWIXUZXAIJYSQV-UHFFFAOYSA-N 419.424 5.099 0 40 HKAB O=C(c1ccccc1)[C@H]([C@@H](c1ccccc1)[C@@H]1CNc2ccccc2C1)N1CCCCC1 1671573 GUZQFFCTFIRWPU-MYKRZTLLSA-N 424.588 5.792 0 40 HKAB CC(C)N(CCOC(=O)c1cc(Br)cc(-c2ccccc2)c1O)C(C)C 1683574 NLHREOAKRZWKGM-UHFFFAOYSA-N 420.347 5.097 0 40 HKAB COc1ccccc1NC(=O)[C@H](C)Sc1ncnc2sc(-c3ccccc3)cc12 1971115 KOBRJTSXLVIHOP-AWEZNQCLSA-N 421.547 5.486 0 40 HKAB CCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1cccc(OC)c1 2126537 ZNAKFDBNXBQMIR-UHFFFAOYSA-N 400.474 6.000 0 40 HKAB biogenic CCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC(C)(C)OC3 2217732 QZANBWKGBCLGOK-UHFFFAOYSA-N 406.617 5.707 0 40 HKAB CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@](C)(CC)OC3 2228405 RHAOWQAAWOIFBK-NRFANRHFSA-N 400.569 5.109 0 40 HKAB CC(C)CNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 2272466 XWGKBKYRJMXKGC-UHFFFAOYSA-N 418.566 5.826 0 40 HKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccc(N)cc2N1C(=O)c1ccc(Cl)cc1 2334694 VKRQUFJGDNZKTD-VWLOTQADSA-N 404.941 6.057 0 40 HKAB Cc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c23)cc1 2369363 AXWSMUYERSQOMR-UHFFFAOYSA-N 405.548 5.706 0 40 HKAB O=C(NC(Cl)=C(Cl)Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2577664 QWJZTLRKTDJIPX-UHFFFAOYSA-N 401.521 5.689 0 40 HKAB CCOC(=O)c1c(-c2cccc3ccccc23)csc1NC(=O)c1ccccc1C 2760287 KHRXLECXRQYDBT-UHFFFAOYSA-N 415.514 6.306 0 40 HKAB O=C(Nc1ccc(F)cc1F)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 2782027 OVSQEFINBFKNPH-UHFFFAOYSA-N 424.354 5.007 0 40 HKAB Cc1ccccc1NCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 2887568 YGRNHFKCHDXXNR-UHFFFAOYSA-N 406.338 5.400 0 40 HKAB C[C@@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)[C@H](c1cccs1)N1CCCC1 3211463 DDJIYRDWTPYEFY-SJKOYZFVSA-N 414.427 5.567 0 40 HKAB O=P1(Nc2ccc3c(c2)OCO3)C=C(c2ccccc2)OC(c2ccccc2)=C1 3216883 VUIBXQFOSJPXKJ-UHFFFAOYSA-N 403.374 6.133 0 40 HKAB CC(=O)c1ccc(-n2c(SCc3ccccc3F)nc3ccccc3c2=O)cc1 3243064 VFVJQNDYJUTZQW-UHFFFAOYSA-N 404.466 5.020 0 40 HKAB COc1ccccc1-c1nnc(SCC(=O)Nc2c(Cl)ccc(C)c2Cl)o1 3379190 CVBXIAPCDGOJQA-UHFFFAOYSA-N 424.309 5.091 0 40 HKAB CC[C@H](c1nnc(S[C@H](C)C(=O)c2ccc(C)cc2)n1Cc1ccccc1)N(C)C 3552234 FKLCIHAIQIMVTK-WIYYLYMNSA-N 422.598 5.011 0 40 HKAB CCN(CC)C1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2C(F)(F)F)S1 3764779 DZNJRAAOPOSGGR-QGZVFWFLSA-N 414.493 5.417 0 40 HKAB COc1ccccc1-n1c(=S)[nH]c2scc(-c3ccccc3Cl)c2c1=O 3887949 XNLSBZKXGJYEBN-UHFFFAOYSA-N 400.912 5.439 0 40 HKAB Cc1ccc(C)c(Cn2cc(SCC(=O)N3CCCCCC3)c3ccccc32)c1 4059747 UPZANGRDPWEJBL-UHFFFAOYSA-N 406.595 5.801 0 40 HKAB O=C(Nc1ccc(-c2nc3c(ccc4ccccc43)[nH]2)cc1)C12CC3CC(CC(C3)C1)C2 4631436 PJVLGXKSRIOTSV-UHFFFAOYSA-N 421.544 6.538 0 40 HKAB Clc1ccc(CNc2ccc(C3c4ccccc4Sc4ccccc43)cc2)cc1 4734181 KFIKHLICJVIAPW-UHFFFAOYSA-N 413.973 7.597 0 40 HKAB CC(C)c1ccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccccc4F)C3)n2)cc1 4890036 ZRZPGCGODCWELL-GOSISDBHSA-N 408.477 5.411 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccccc3F)sc3ccccc3c2=O)cc1 5322733 KUGRSPDWBCDRHP-UHFFFAOYSA-N 405.450 5.329 0 40 HKAB CCC1=C[C@H]([C@H](O)CC(C)C)[C@](C)(Cc2ccc(CC)cn2)N[C@H]1c1ccccc1 5389728 JPFMXPYYRABPJC-CWTOASCOSA-N 406.614 5.649 0 40 HKAB O=C(NCCc1ccc(Cl)cc1Cl)c1cc(-c2ccncc2)nc2ccccc12 6191241 KGTUTGJQENAXJF-UHFFFAOYSA-N 422.315 5.576 0 40 HKAB CCN(CC)C(=O)c1cccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c1 6552804 MSAOHVHTLAETGW-UHFFFAOYSA-N 413.477 5.229 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(-c3ccccc3Br)o2)c(C)c1 7205294 DDFGXZGNLPEAGJ-UHFFFAOYSA-N 403.301 5.091 0 40 HKAB CCN(CC)C(=O)[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 7221572 LSLBEQCLJVWNNK-SFHVURJKSA-N 412.584 5.043 0 40 HKAB CCCc1ccc(-c2csc(NC(=O)CCSc3ccc(Cl)cc3)n2)cc1 7699057 BCWPOBIIXSVQON-UHFFFAOYSA-N 416.999 6.537 0 40 HKAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc(N2CCCCCC2)cc1 8165882 PDNCLFFIXRXCRS-UHFFFAOYSA-N 416.447 5.074 0 40 HKAB C[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3c2C1 8438946 PJLPDXKKZKNTOY-GFCCVEGCSA-N 420.328 5.121 0 40 HKAB O=C(NCc1cccc(C(F)(F)F)c1)c1cccn1-c1ccc(Br)cc1 8762503 MLMDUJGLBDVVLS-UHFFFAOYSA-N 423.232 5.189 0 40 HKAB Cc1c(CCC(=O)Nc2cccnc2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 8792302 LHWMHBKYVDDKNW-UHFFFAOYSA-N 424.456 5.481 0 40 HKAB biogenic CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Nc1ccncc1 9221093 ZMSKTHAGLVCBCC-UHFFFAOYSA-N 417.900 5.252 0 40 HKAB Cc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(C)c(C)c2)c1 9462071 BSAAMINCAIFBTJ-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB O=C1OCC[C@H]1Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 9883628 SCVMWSUBLIGEMX-GOSISDBHSA-N 423.881 5.013 0 40 HKAB c1ccc(-c2nnc3sc(-c4cc(-c5cccs5)nc5ccccc45)nn23)nc1 10312440 XTVLSAFHPNXLJB-UHFFFAOYSA-N 412.503 5.192 0 40 HKAB Cc1nn([C@@H](C)CC(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)c(C)c1Cl 12188170 CSFVIJQEZPBRNV-MGPUTAFESA-N 410.949 5.059 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(NCc2ccco2)s1 12795787 SHRAPQYZAXKVIO-KBPBESRZSA-N 416.572 5.376 0 40 HKAB Clc1ccccc1CNCc1c(OCc2ccccc2Cl)ccc2ccccc12 16525999 SNCLDRQRJANFFE-UHFFFAOYSA-N 422.355 7.015 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(C(C)C)cc1 16575816 IYHGEJNTCJQNNZ-UHFFFAOYSA-N 402.519 6.348 0 40 HKAB CCCCOP(=O)(OCCCC)O/C(C)=C(/C)OP(=O)(OCC)OCC 17021741 NQXSXENOCUAGCU-NXVVXOECSA-N 416.388 6.194 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc2ccccc2c1 17090165 YAUIBZQPBNNDNZ-UHFFFAOYSA-N 414.917 7.022 0 40 HKAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc(-c2ccccc2)cc1 17090973 WIALFMBSUQBNJO-UHFFFAOYSA-N 417.317 5.493 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4C)ccc3o2)c1 17092486 VJUVFSAJTADDOC-UHFFFAOYSA-N 420.896 6.091 0 40 HKAB O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(F)c3)CC[C@@H]21 19369007 RYASUXVFHZSHFE-HJOGWXRNSA-N 420.553 5.018 0 40 HKAB O=C(CSc1nc(C(F)(F)F)nc2ccccc12)N1CCC[C@@H]1c1cccs1 22249313 COEQJKRPQDXNJZ-CQSZACIVSA-N 423.485 5.166 0 40 HKAB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Nc3ccccc3)cc2)no1 32754788 DSFPXGHKJKIMMO-UHFFFAOYSA-N 416.506 5.666 0 40 HKAB O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 32983614 GMPARUWTUBBGNN-QGZVFWFLSA-N 419.575 5.369 0 40 HKAB CCOc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 35131168 AGVHMTJPHJOGJU-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB Cc1ccc(-c2cc(C(=O)N(Cc3cnn(C)c3)C(C)C)c3ccccc3n2)c(C)c1 40157038 DERQOCQKRXJWKA-UHFFFAOYSA-N 412.537 5.303 0 40 HKAB CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C 44689940 HLDURSRJCIWNKA-UHFFFAOYSA-N 409.700 5.985 0 40 HKAB COc1ccc(Cl)cc1Nc1c(C(=O)N2CCCCCC2)cnc2nc(C)ccc12 49004717 YSZJBSCFFXYKLQ-UHFFFAOYSA-N 424.932 5.360 0 40 HKAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCc2sccc2[C@H]1c1ccccc1 58344443 UKBUEVJNDIZPDB-OAQYLSRUSA-N 401.453 5.484 0 40 HKAB O=C(c1cnc2ccc(F)cc2c1NCc1ccccc1C(F)(F)F)N1CCCC1 67288260 PGJDRJBPEOIELZ-UHFFFAOYSA-N 417.406 5.241 0 40 HKAB Cc1ccc(NC(=O)N2CCN([C@H](c3ccc(C)cc3)c3ccccc3C)CC2)cc1 96182535 JMKSSIBGGHHOKK-AREMUKBSSA-N 413.565 5.551 0 40 HKAB CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2C[C@H]1[C@H]1C(=O)CCC(=O)[C@H]13 105366995 JPGGQHZUOUAFHK-LNXFJRHGSA-N 412.570 5.060 0 40 HKAB biogenic CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 222923172 REFVNMVPKVRLTR-IBGZPJMESA-N 403.906 5.220 0 40 HKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1C1CCCC1 224162093 NYTKMNWRCWESJN-DNQXCXABSA-N 416.594 5.792 0 40 HKAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccc(C)c(C)c1 224292857 CVHOKOSNCCSEBU-UHFFFAOYSA-N 418.493 5.102 0 40 HKAB CCCc1ccc(OCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 224337963 VSKUAPWZYZXTIP-UHFFFAOYSA-N 414.549 5.011 0 40 HKAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCc1ccc(Cl)cc1Cl 225380904 NUUUHOCZFRSXNN-UHFFFAOYSA-N 424.715 5.288 0 40 HKAB COC(=O)c1ccc(C)c(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c1 225699317 RGLVJSNRSIBQOF-JOCHJYFZSA-N 404.535 5.166 0 40 HKAB CCOC(=O)c1cc(Cl)c(OCc2cccc(Br)c2)c(OCC)c1 226326517 WUHXPQGWGAHMBV-UHFFFAOYSA-N 413.695 5.257 0 40 HKAB CC(C)(C)c1ccc2oc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 228954695 GEANOBNWKXXOPA-UHFFFAOYSA-N 401.350 6.754 0 40 HKAB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 408640866 KAXFBPJCXASWTO-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB CCCc1nc(COc2ccc(Cl)cc2)c(C(=O)O)cc1-c1cccc(Cl)c1 585265640 VYJRETLIRNGLER-UHFFFAOYSA-N 416.304 6.285 0 40 HKAB CCCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccc(Cl)cc1 664213 FKQHUYOOPWKOMN-UHFFFAOYSA-N 400.935 5.048 0 40 HKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1cc(Cl)ccc1Cl 888487 JKJKDYBJWKEYIB-UHFFFAOYSA-N 424.378 5.608 0 40 HKAB CCN(CC)CC/N=c1\cc(-c2ccc(OC)c(OC)c2)oc2ccc(Cl)cc12 937848 BYXDFYGTZYMBRR-NCELDCMTSA-N 414.933 5.013 0 40 HKAB CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CC[C@@H](C)C2 1081623 JQTJJHAYWQYBLW-LLVKDONJSA-N 421.360 5.236 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)Nc3ccccc3F)cc2c1 1353132 ORWIPLHWCLVGJI-UHFFFAOYSA-N 421.497 5.271 0 40 HKAB Cc1ccc(-c2csc(N3N=C(/C=C/c4ccco4)C[C@@]3(O)C(F)(F)F)n2)cc1 1406761 CUAYPWFYSAAIBE-CSHXORCISA-N 419.428 5.242 0 40 HKAB CCC(CC)COC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc12 2265385 XENCTNDLZDPGRU-UHFFFAOYSA-N 416.525 5.366 0 40 HKAB Cc1oc2cc(OC(=O)/C=C/c3ccccc3)ccc2c(=O)c1-c1ccc(Cl)cc1 2410144 XWQJDSWRMVWNDL-VGOFMYFVSA-N 416.860 6.041 0 40 HKAB CCCc1cc(Nc2cc(Cl)cc(Cl)c2)n2nc(C)c(-c3ccccc3)c2n1 2438046 IYFCVEJBOQRFOS-UHFFFAOYSA-N 411.336 6.708 0 40 HKAB CCOc1ccc(C(C)=O)cc1CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1 2625774 DENBTALHJNDHAV-UHFFFAOYSA-N 422.337 5.672 0 40 HKAB COc1cccc(N(C(=O)COc2cccc(F)c2)c2nc3ccccc3s2)c1 2663015 QBZNYUCHAPLFMU-UHFFFAOYSA-N 408.454 5.188 0 40 HKAB Cc1ccc(Sc2c(C)nn(C(=O)c3sc4ccccc4c3Cl)c2C)cc1 2690550 VCLBDACNVYXZBV-UHFFFAOYSA-N 412.967 6.516 0 40 HKAB Fc1cccc(-c2nnn3c2nc(NCc2ccccc2Cl)c2ccccc23)c1 2698631 LSHHFFYOXQQKNR-UHFFFAOYSA-N 403.848 5.349 0 40 HKAB Fc1ccccc1-c1nnc(SCc2c(F)cccc2Cl)n1C1CCCCC1 3274199 YIZSBSDRTGOJKS-UHFFFAOYSA-N 419.928 6.674 0 40 HKAB CC1=C[C@@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@H](c3ccc4c(c3)OCO4)[C@@H]1[C@H]2C 4025923 FSFRMGYTTNBARV-WOMPNOHYSA-N 420.505 5.178 0 40 HKAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(C(C)(C)C)cc2)cc1 4174210 WTOSTCGRIHHPRP-VWLOTQADSA-N 412.533 5.984 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(c1ccccc1)c1ccccc1 4691220 RQSROQOVKDJQSD-OAHLLOKOSA-N 400.305 5.667 0 40 HKAB CCn1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)c2ccccc21 5274472 IAZDOROQIXCYSJ-SFQUDFHCSA-N 421.500 5.539 0 40 HKAB C=C1c2cc3c(cc2CCN1C(=O)C1(c2ccc(Cl)cc2)CCCC1)OCCCO3 5450869 GVURSSFAVQEPCF-UHFFFAOYSA-N 423.940 5.369 0 40 HKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)C2CCCCC2)n(C[C@H]2CCCO2)c1C 5451460 RIBGTXLMDVCRCF-LJQANCHMSA-N 420.557 5.346 0 40 HKAB Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@@H]2c2ccc(C(C)C)cc2)cc1 5452111 UJZXFNDIVXAKAY-VWLOTQADSA-N 416.496 5.379 0 40 HKAB COc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)cc1 5518233 YZSZILUABQDXCL-XHEFNCKESA-N 400.931 5.290 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@H](Sc2ccc3ccccc3n2)c2ccccc2)c1 5626743 CIYCBZJQWHNSBQ-XMMPIXPASA-N 412.514 5.910 0 40 HKAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(C(C)C)cc2)NC(=O)N1 5838784 BWNCSSVOQOCFAY-IBGZPJMESA-N 417.431 5.095 0 40 HKAB CCOc1cc(-c2cccs2)c/c(=N\c2ccc(OC)cc2)c2c(C)oc(C)c12 5906047 HJKNFVLDBUGHTG-LKUDQCMESA-N 405.519 6.418 0 40 HKAB biogenic Cc1ccc(Sc2nc(-c3ccc(C)cc3)oc2Sc2ccc(C)cc2)cc1 6215335 JXJOQNCMHUPQAW-UHFFFAOYSA-N 403.572 7.569 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 6243005 GGXCFAJDPNOGQA-YGNAEDSMSA-N 417.918 5.288 0 40 HKAB Cc1ccc2cc(CN(C(=S)NC3CCCCC3)C3CCCCC3)c(=O)[nH]c2c1 6409486 MEZIBDDMLYZDEN-UHFFFAOYSA-N 411.615 5.178 0 40 HKAB O=C1/C(=C/Nc2cccc3c2CCCC3)c2ccccc2C(=O)N1Cc1ccccc1 6452604 DJAWRIWLQLAGHC-JJIBRWJFSA-N 408.501 5.201 0 40 HKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)/C=C/c4ccco4)cc3n2)cc1 6635996 VSUIBVYGVQODHK-VAWYXSNFSA-N 420.900 5.661 0 40 HKAB Cc1noc(C)c1CCC(=O)Nc1cc(C(F)(F)F)ccc1NC1CCCCC1 6822645 IKTJPJQOOAWGAE-UHFFFAOYSA-N 409.452 5.626 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cnc(Cl)c(Cl)c1 6883105 XHBMEMSJSJIYIZ-UHFFFAOYSA-N 401.337 6.109 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cc(C)ccc4C)C3)cc2)cc1 7882261 AJKNFJSHPGHUOO-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB CCN(CC)C(=O)[C@H](OC(=O)CSc1ccc2ccccc2c1)c1ccccc1 8072502 WHRJQROCHCDYDE-HSZRJFAPSA-N 407.535 5.085 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc3nc(SCc4ccccc4)sc3c2)cc1 8673802 ZXBMRWKCVOWAGY-UHFFFAOYSA-N 420.559 5.915 0 40 HKAB Cc1nc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)n(CC(C)C)c1C 8725596 REYYLKLRYQKFQQ-ZDUSSCGKSA-N 400.375 5.582 0 40 HKAB CC[C@H](C)c1ccc(OCc2nnc(NC(=O)Nc3ccccc3F)s2)cc1 8771742 XFZSNQTWFDZHLQ-ZDUSSCGKSA-N 400.479 5.414 0 40 HKAB COc1ccccc1-c1nc(CSc2nnc(C3CC3)n2-c2ccccc2)cs1 8861269 FEOHHGFWDGHGTR-UHFFFAOYSA-N 420.563 5.569 0 40 HKAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3c(F)cccc3Cl)ccc1O2 9135364 ZSNBTAMMLPKTIO-UHFFFAOYSA-N 410.832 5.422 0 40 HKAB C[C@@H](c1ccc(-c2ccccc2)c(F)c1)c1nn2c(-c3cccnc3)nnc2s1 9483501 ACPRDJQDJPAIQO-AWEZNQCLSA-N 401.470 5.206 0 40 HKAB Cc1ccc(-c2nnc3sc(C=C(c4ccccc4)c4ccccc4)nn3c2=O)cc1 9530471 ITGUXLDEZNHYIF-UHFFFAOYSA-N 422.513 5.110 0 40 HKAB CCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN23)cc1 12192289 MPVZWOMNSBNBAJ-RSXGOPAZSA-N 414.505 5.726 0 40 HKAB O=C(CCSc1nc2cc(Cl)ccc2s1)Nc1c(Cl)cccc1Cl 12775176 MHNKOYWBTDVDTC-UHFFFAOYSA-N 417.770 6.377 0 40 HKAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1 12862027 SSPHLLAMULGVOM-GFCCVEGCSA-N 423.727 6.112 0 40 HKAB Cc1nc(Oc2ccc3c(C(C)C)cc(=O)oc3c2)c2c3c(sc2n1)CCCCC3 13041028 DQWBMXNPBBMKLF-UHFFFAOYSA-N 420.534 6.291 0 40 HKAB Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)CC1=O 13511450 RTWJWBHBAPLOFN-QHCPKHFHSA-N 423.560 6.037 0 40 HKAB CC[C@H](C)c1ccc(OCc2nnc(NC(=O)Nc3cccc(OC)c3)s2)cc1 13570384 WSDRDBHWIOKFSY-AWEZNQCLSA-N 412.515 5.283 0 40 HKAB COc1ccccc1[C@H](CCN(Cc1ccco1)C(=O)c1ccco1)c1ccccc1 13656380 ZGQRNZIICCJXGT-JOCHJYFZSA-N 415.489 5.746 0 40 HKAB COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN23)c1 13770893 NIPVKDBKULGGJR-GGAORHGYSA-N 408.860 5.730 0 40 HKAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2cccc(OC)c2)cc1 15880500 GQLCGMIWZJMVQE-UHFFFAOYSA-N 403.434 5.378 0 40 HKAB biogenic Nc1nc(=O)n(CCCCCCc2ccccc2)cc1-c1ccc(Cl)c(Cl)c1 17039847 GRAQORCFGXAUPA-UHFFFAOYSA-N 416.352 5.602 0 40 HKAB CCCCOc1cccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)c1 17089486 JZZMGUUXRZMUTA-UHFFFAOYSA-N 413.326 5.005 0 40 HKAB Cc1cc(C)c2nc(NC(=S)NC(=O)CC34CC5CC(CC(C5)C3)C4)sc2c1 17089691 BHHJEKGCGDWWGJ-UHFFFAOYSA-N 413.612 5.333 0 40 HKAB Cc1ccc(C)c2sc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)nc12 17090981 VJOFVYAEVZKBDZ-UHFFFAOYSA-N 417.317 6.732 0 40 HKAB Cc1csc([C@H](Cc2cccs2)NCc2ccccc2OC[C@@H]2CCCO2)n1 19240107 HJAWLDKVUCKHEA-ICSRJNTNSA-N 414.596 5.144 0 40 HKAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(Br)cc1 19314718 JDCKOYCHZZTJJE-SFHVURJKSA-N 418.331 5.457 0 40 HKAB CC1(C)CN=C(N(CC(=O)c2ccc(Br)cc2)c2ccccc2)S1 26441374 KQASMYMLUYCNDV-UHFFFAOYSA-N 403.345 5.020 0 40 HKAB Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2)c1 27664501 BAROLNRIZWQVGU-UHFFFAOYSA-N 400.434 5.011 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)Nc1nn(Cc2ccccc2F)cc1Cl 32610005 GXNCFAVLTMIVQZ-UHFFFAOYSA-N 412.774 5.387 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)C1CCN(C(=O)c2cccs2)CC1 32882384 LOECPEMOLGWAPP-UHFFFAOYSA-N 422.575 5.390 0 40 HKAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1cccc(Cl)c1 33621043 WEKKBUPMLSDWAE-UHFFFAOYSA-N 408.354 5.111 0 40 HKAB CCCOc1ccc(Br)cc1CNc1ccc(Br)cc1C 35018458 ZBDWBDDXRPUNKK-UHFFFAOYSA-N 413.153 5.921 0 40 HKAB CC(C)c1ccc(/C=C/c2ccnc3nc(N4c5ccccc5C[C@@H]4C)[nH]c(=O)c23)cc1 40388431 RDYJDQBHBOVSAI-HGZMWJMZSA-N 422.532 5.695 0 40 HKAB Clc1cc(Cl)c2c(c1)[C@H]1CC(c3cccc4ccccc34)=NN1C1(CCCC1)O2 40486309 ALMJAUPPOROVQM-JOCHJYFZSA-N 423.343 6.960 0 40 HKAB COc1cc(C(=O)O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 44199279 MKBFFEOIIRMLOB-UHFFFAOYSA-N 406.059 5.042 0 40 HKAB O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2ccccc2Cl)CC1 44917182 SQJYAAYEPHCSCI-UHFFFAOYSA-N 412.961 5.512 0 40 HKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C)cc1 44935769 CAVPRYSGQLAESK-QFIPXVFZSA-N 419.396 5.781 0 40 HKAB CCC(=O)Nc1nc2ccc(NC(=O)COc3cc(C)ccc3C(C)C)cc2s1 57316148 AXWZCDNSUQKSBQ-UHFFFAOYSA-N 411.527 5.094 0 40 HKAB C[C@H](NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)c1cccc(Br)c1 58715930 BEPXHMNNWRJSPV-LBPRGKRZSA-N 415.253 5.371 0 40 HKAB CCCCc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 59294089 HHNWUOVWBNZMPK-BMRADRMJSA-N 404.535 5.816 0 40 HKAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2OC)cc1 67258426 VPOLOYBYYGPLER-UHFFFAOYSA-N 414.530 5.389 0 40 HKAB Cc1cc(NC(=O)C(Cl)(Cl)Cl)cc(-c2nc3cc(Cl)ccc3o2)c1O 70462069 TZXKJDBBENKQSO-UHFFFAOYSA-N 420.079 5.471 0 40 HKAB CC(C)n1ncc2c1N=C(O)C[C@@H]2c1ccc(-c2ccc(Br)cc2)o1 71279901 GDERHWVZGBAYMZ-AWEZNQCLSA-N 400.276 5.610 0 40 HKAB COc1ccc(CCC(=O)N2CCC[C@H]2c2cccc(Cc3cccc(F)c3)n2)cc1 72357897 ALXUXUIWGCPNOE-VWLOTQADSA-N 418.512 5.116 0 40 HKAB COc1ccc(NC(=O)C(C)(C)Oc2ccc([C@H]3CC3(Cl)Cl)cc2)c(OC)c1 72405395 UDLNXFOOMFWHKO-MRXNPFEDSA-N 424.324 5.161 0 40 HKAB COc1cc(CNC(=O)c2cccc3ccccc23)ccc1OCc1ccccc1F 72427738 XNDGPWOLRFSXPB-UHFFFAOYSA-N 415.464 5.497 0 40 HKAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cccc3ccccc23)S1 96118260 NJZKWLJAYGXQMC-JXFKEZNVSA-N 407.539 5.346 0 40 HKAB CC[C@]1(C)C[C@H]([C@H](CCN(Cc2ccccc2)C(C)=O)c2ccc(OC)cc2)CCO1 102807076 SJNCWJQRIMYGPD-ZRJLEYOISA-N 423.597 5.813 0 40 HKAB biogenic CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 223245028 ACCUEEXIJWMTTH-GOTSBHOMSA-N 423.553 5.150 0 40 HKAB COc1ccc(CNC(=O)c2ccc(OC)c(COc3ccccc3C(C)C)c2)cc1 224226827 RPDYYCDCTCYIJB-UHFFFAOYSA-N 419.521 5.336 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccccc1C(C)(C)C 224509677 NLZFGAVHATZHDG-UHFFFAOYSA-N 421.512 6.353 0 40 HKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)ccc1F 224888911 GNKGWPJWCIJMOJ-ROUUACIJSA-N 403.935 5.421 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)Cc3cccc(Cl)c3)c2)cc1 225569181 BGGZZVVHDKLFAB-UHFFFAOYSA-N 420.940 6.071 0 40 HKAB Nc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 408670302 IMEODCJRURENQT-UHFFFAOYSA-N 423.472 5.566 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 408699982 XZSXJSQENWIQRT-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1Cc3ccccc3[C@@H]21 408987652 BNBWQJNJHDXNCR-HLAWJBBLSA-N 410.300 6.163 0 40 HKAB COCCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C1=O 409147048 UMNKVPRNRZBJOO-PXLXIMEGSA-N 419.502 5.102 0 40 HKAB COc1cccc2cc(-c3csc(N(CC4CC4)c4ccccc4F)n3)c(=O)oc12 1889281975 YMLDSRCLZXPPRP-UHFFFAOYSA-N 422.481 5.612 0 40 HKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4cc(Cl)cc(Cl)c4)c(N)c3cc2C1 661911 WPKVSJDJZDUEHE-SNVBAGLBSA-N 420.365 5.953 0 40 HKAB Cc1sc2c(c1Br)-c1c(sc(C)c1Br)CSC2 984454 LMGUNJMDGSQNII-UHFFFAOYSA-N 410.221 6.365 0 40 HKAB Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc3c(c(-c4cccs4)c12)CCC3 1306995 ZFRJOWKOVILAPZ-UHFFFAOYSA-N 409.511 5.487 0 40 HKAB O=C(c1ccccn1)c1nc(-c2ccc(Cl)c(Cl)c2)nc2ccc(Cl)cc12 1618990 OTATUOZZYQVDES-UHFFFAOYSA-N 414.679 5.883 0 40 HKAB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccc(Cl)cc1 1746122 QAZAWZKAMJFPFW-UHFFFAOYSA-N 424.978 6.809 0 40 HKAB CCOC(=O)c1c(NC(=O)CCCOc2ccccc2C)sc2c1CC[C@H](C)C2 1772509 SULNWMIVVFBJHS-HNNXBMFYSA-N 415.555 5.156 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(C)c4)c3)nc2c1 1851056 FZFGHJWLRQEMPF-INIZCTEOSA-N 418.924 7.222 0 40 HKAB CCOC(=O)c1c(NC(=O)Cc2cccc3ccccc23)sc2c1CC[C@H](C)C2 1895615 NJBVNQSRRARNLN-HNNXBMFYSA-N 407.535 5.384 0 40 HKAB O=C1S/C(=C\c2ccc(F)c(Br)c2)C(=O)N1c1cccc(Cl)c1 2119777 DGJBGFJBEQTSBP-AUWJEWJLSA-N 412.667 5.483 0 40 HKAB CCCCN(CC)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 2297454 WAGOWCHOYPYNGQ-UHFFFAOYSA-N 416.594 6.412 0 40 HKAB CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCc4ccco4)c23)CO1 2441965 WCGUVEGNNBRLNG-FQEVSTJZSA-N 403.573 5.638 0 40 HKAB O=[S@@](Cc1cc(N2CCCCC2)nc(-c2ccccc2)n1)c1ccc(Cl)cc1 3104520 NUIBHTJLAYBTJS-MUUNZHRXSA-N 411.958 5.095 0 40 HKAB O=C(NCCCNC(=O)Nc1cccc2ccccc12)Nc1cccc2ccccc12 3147084 QHVVTLYNSGPEGE-UHFFFAOYSA-N 412.493 5.326 0 40 HKAB Cc1ccc(-n2c(SC(F)F)nc3sc4c(c3c2=O)CCCCC4)c(C)c1 3313594 ATDOEVGRDFQDKR-UHFFFAOYSA-N 406.523 5.648 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(Br)o4)c3)oc2c1 3764482 KFIMZGZZDNYYBU-UHFFFAOYSA-N 411.255 5.719 0 40 HKAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccc(Cl)cc1Cl 4305142 VPSFUPYYAOIYOU-IBGZPJMESA-N 401.293 5.120 0 40 HKAB Cc1ccc(C)c(CSc2nc3c(c(=O)n2CCc2ccccc2)SCC3)c1 4358808 AZPFWFWHPLPEEF-UHFFFAOYSA-N 408.592 5.043 0 40 HKAB CCC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@H]1c1ccc(Cl)cc1 4815122 UNZDZFFKLDZPGY-ZWKOTPCHSA-N 401.297 5.062 0 40 HKAB O=C1C[C@@]2(c3ccccc31)c1ccccc1[C@]1(c3ccccc3)c3ccccc3C(=O)[C@@H]21 4831166 FYBGQGQDKPCNAS-JBOQNHBVSA-N 412.488 5.720 0 40 HKAB CC(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)C2CC2)cc1 4847996 DIDSTWGTJQXCBC-DEOSSOPVSA-N 424.610 5.205 0 40 HKAB CCn1c(SCCC(C)=O)nnc1-c1cc(-c2ccccc2)nc2ccccc12 5230972 LTTRTRWBCQXJSO-UHFFFAOYSA-N 402.523 5.251 0 40 HKAB Cc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccccc2Cl)cc1 5485653 UJWGFKFTUBCEGA-JXMROGBWSA-N 417.965 6.702 0 40 HKAB Cc1ccc(C)c(Sc2ccc(NC(=O)[C@H](C)NC(=O)c3ccccc3)cc2)c1 6778350 GHLPMCZOZIHPBF-SFHVURJKSA-N 404.535 5.212 0 40 HKAB CCCOc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 6880917 RLKOKWXBKGOCTG-UHFFFAOYSA-N 405.277 6.399 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1 7073092 KHHVIBJTZNBVMO-MRXNPFEDSA-N 418.472 5.091 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)/C=C/c1cccc(Br)c1 7564616 LJXYPPRGVIMKGH-ZHACJKMWSA-N 416.315 5.076 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(=O)c3cccc4cccc2c34)cc1 7777872 QVGKULPMDJBKOW-RUZDIDTESA-N 414.508 6.719 0 40 HKAB Cc1cc(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)c(C)n1C(C)C 7844245 YIDQXFHJNPGADT-UHFFFAOYSA-N 414.600 5.240 0 40 HKAB O=C(c1csc(-c2ccccc2)n1)N1CCC(c2nc3ccccc3s2)CC1 8073825 LXIJIKUNFATLJG-UHFFFAOYSA-N 405.548 5.440 0 40 HKAB CCCCOc1ccc([C@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)OCC)cc1 8306552 GRRUIRNKIVYIGU-JOCHJYFZSA-N 405.498 5.176 0 40 HKAB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCCC[C@@H]1c1nc2ccccc2s1 8340090 HULJZIKZKUEJHE-PZJWPPBQSA-N 422.550 5.222 0 40 HKAB COc1ccc([C@H]2CC(c3ccco3)=Nc3c(-c4ccccc4)c(C)nn32)cc1OC 8570229 SIICSETXNJFIFK-HXUWFJFHSA-N 413.477 5.583 0 40 HKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(C(C)C)cc3)CC2=O)cc1 8618318 AUBMVBYAUKFYTO-QHCPKHFHSA-N 423.560 6.037 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(c1cccc(C)n1)C3=O 8664926 CYJLSRHIRQGWTE-OAQYLSRUSA-N 416.864 5.208 0 40 HKAB COC(=O)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 8768150 QFCPMCXYUSSNEN-DENIHFKCSA-N 422.868 5.270 0 40 HKAB C[C@H](NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccco1 9602900 YKEQYWPNDGCAJR-INIZCTEOSA-N 403.507 5.306 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4F)c3)oc2c1 9892101 KHUDKALWFMRTBA-UHFFFAOYSA-N 419.481 5.378 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2F)cc1Cl 10119207 GTDGBPFRAKAUSH-UHFFFAOYSA-N 422.843 5.229 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 11328307 XTTRZCRUGCNZRL-UHFFFAOYSA-N 410.445 5.009 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 11916667 APKYRLHGODKXIM-GOSISDBHSA-N 422.594 5.902 0 40 HKAB Cc1nc(CSc2ccc(C(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)cc2)cs1 12730468 RQMIKVPXVFOAEP-CABCVRRESA-N 414.518 5.595 0 40 HKAB C[C@@H](NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(F)cc1F 12783191 VNOHMAVCUYVTSD-QGZVFWFLSA-N 417.459 5.368 0 40 HKAB O=C(Nc1cccc(Cl)c1)Nc1nnc(-c2cccc(Br)c2)s1 13549066 RKVRTJFDFWTZSE-UHFFFAOYSA-N 409.696 5.265 0 40 HKAB O=C(NC1CCCCCCC1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 13579398 RZWXFIBQQQXXAI-ULJHMMPZSA-N 415.537 5.168 0 40 HKAB C[C@H](NC(=O)c1ccc(SCc2cscn2)cc1)C12CC3CC(CC(C3)C1)C2 14253184 AOTNIVHLPGIMIH-SCUMNGBJSA-N 412.624 5.770 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccccc2)c1 14609637 WRJBADVENZNRRF-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB COc1ccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)c(C(F)(F)F)nn23)cc1 15840013 PHNCVJYHNJBCQF-UHFFFAOYSA-N 412.415 5.784 0 40 HKAB CCCCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1 16639212 FTSCAVBTUVGPPP-UHFFFAOYSA-N 419.959 5.255 0 40 HKAB CCOC(=O)[C@H](Sc1ccc(C)cc1)[C@H](Sc1ccc(C)cc1)C(=O)OCC 16891768 QVALTQGQDJPNDF-BGYRXZFFSA-N 418.580 5.051 0 40 HKAB C[C@H](CCN1CCC([C@@H](NC(=O)C(C)(C)C)c2ccccn2)CC1)c1ccccc1 19455618 ZEUFVUZSURBMIG-HYBUGGRVSA-N 407.602 5.191 0 40 HKAB CC[C@@H](C)c1ccccc1OCCNc1cccc(OCCOc2ccccc2)c1 19738399 XDQPQVWIHPSWDF-OAQYLSRUSA-N 405.538 6.149 0 40 HKAB O=C(COc1ccccc1Cl)Nc1ccccc1-c1nc(-c2ccccc2)no1 22460797 VNXLCSMFSIDMJW-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB Cc1cccc(C)c1NC(=O)CCCSCc1cc(Cl)cc2c1OCOC2 23414314 WOOGACNYAHZSCK-UHFFFAOYSA-N 405.947 5.475 0 40 HKAB C[C@@H](NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1nnc(-c2cccs2)o1 28809552 VTLDLHRLAVEIES-APWZRJJASA-N 414.534 5.762 0 40 HKAB CCOc1cc([C@@H]2Nc3cc(Cl)ccc3-c3ccnn32)cc(Br)c1O 30952924 OEQOBAVXCQOUOL-GOSISDBHSA-N 420.694 5.043 0 40 HKAB Cc1nnc(SCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)n1C1CCCCC1 32671775 QEPSDCQAVFIMDO-UHFFFAOYSA-N 414.575 5.051 0 40 HKAB CSc1ccc(Cl)c(C(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1 32983114 PBBSWXYNMUAAHP-SFHVURJKSA-N 409.020 5.326 0 40 HKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1C 38753857 WSDCZNJRUYZVLO-VWLOTQADSA-N 419.590 6.700 0 40 HKAB O=c1c2ccccc2c(-c2cccs2)nn1Cc1csc(-c2cccs2)n1 40116954 JVSZGUSHVYEXDP-UHFFFAOYSA-N 407.545 5.358 0 40 HKAB Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c(Cl)c1 41091642 UVZFTAXZDZHKLD-UHFFFAOYSA-N 412.839 5.285 0 40 HKAB C[C@H](N[C@H](c1ccccc1)c1cccs1)C(=O)Nc1ccc(Br)cc1 57508742 FUKZBLFDOFKNIJ-IFXJQAMLSA-N 415.356 5.217 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc(N(C)C)c(Cl)c1 60016699 CXKNWFITEVJOBK-UHFFFAOYSA-N 417.340 5.173 0 40 HKAB COc1cccc(-c2nc(N3CCC[C@H](C)C3)c3oc(-c4ccccc4)nc3n2)c1 61997344 ARKJICINQOKHCM-INIZCTEOSA-N 400.482 5.197 0 40 HKAB Clc1ccc2c(-c3ccccc3)nc(N3CCN(c4ccccc4)CC3)nc2c1 79068641 VSGBOYOTLCUERS-UHFFFAOYSA-N 400.913 5.277 0 40 HKAB CCCn1c(C)cc(-c2csc(NC(=O)c3cc(F)c(F)c(F)c3F)n2)c1C 84759131 LAAFEVHICRTSCX-UHFFFAOYSA-N 411.424 5.447 0 40 HKAB CCc1ccc(NC(=O)c2cc(-c3cnc(-c4cccnc4)nc3)cn2CC2CC2)cc1 96037773 QJCMZLZCIQGXNX-UHFFFAOYSA-N 423.520 5.232 0 40 HKAB Cc1ccccc1[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)Nc2nc3ccccc3n21 101229541 XRNWJIKSICSIKP-IFMALSPDSA-N 408.332 6.798 0 40 HKAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(F)cc3Cl)c3ccccc3C2=O)cc1C 102614875 RJEPNASCPUBLEA-MOSHPQCFSA-N 420.871 5.736 0 40 HKAB COc1cc(NC(=O)N2CCCC[C@@H](c3ccc(Cl)cc3)C2)cc(OC)c1OC 206881394 ZBKAWWNLJBENSX-MRXNPFEDSA-N 418.921 5.167 0 40 HKAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc1C 216030112 HIWKEYDPMWYZNA-UHFFFAOYSA-N 419.506 5.149 0 40 HKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 224439910 MEBSDPPCWTXPGJ-DHIUTWEWSA-N 414.509 5.189 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COCc1ccccc1 224460595 VPSUSXLUJODCJS-UHFFFAOYSA-N 416.304 5.971 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1C 224959588 RTGUIXRJOVQKSZ-UHFFFAOYSA-N 402.881 6.531 0 40 HKAB C[C@H](NC(=S)Nc1ccc(Br)cc1F)c1ccc(C(C)(C)C)cc1 225406425 FKOBLCVKDMBWIU-LBPRGKRZSA-N 409.368 5.933 0 40 HKAB CC[C@@H](NC(=S)Nc1ccc(Br)c(C)c1)c1ccc(OC)c(OC)c1 225718954 PUIRSSBCKMDPQG-MRXNPFEDSA-N 423.376 5.212 0 40 HKAB COc1cccc(-c2nnsc2C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 225767078 APFCPIZRVFBVRA-UHFFFAOYSA-N 415.518 5.056 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c2cccnc12 225862015 NLRAFKYKQHIXFC-UHFFFAOYSA-N 406.501 5.859 0 40 HKAB O=C(NCC[C@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccccc1 257260774 LEHHCKSYLFRHGA-HSZRJFAPSA-N 412.533 5.168 0 40 HKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccccc1Cl)C[C@]2(C)NC(=O)c1ccc(F)cc1 257262198 LKOFXAMWCDBOPT-GMQKADSYSA-N 415.936 5.934 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)nn2-c2cccc(C)c2)cc1 408727800 XTDSVXHQLLXVJC-UHFFFAOYSA-N 401.897 6.062 0 40 HKAB Nc1cc(-c2ccc(Br)cc2)nn1-c1c(Cl)cc(Cl)cc1Cl 408952461 NWSNYNWXKMMMSJ-UHFFFAOYSA-N 417.521 5.844 0 40 HKAB CCCCOc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 409183318 RLIBUMFHIKJEOX-XMMPIXPASA-N 422.908 6.300 0 40 HKAB Fc1ccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)cc1 409193937 IGZZZEISDVFPGR-UHFFFAOYSA-N 404.254 5.918 0 40 HKAB Cc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)sc1-c1ccccc1 526052391 HHFLMHQZIXNJBQ-UHFFFAOYSA-N 423.588 6.120 0 40 HKAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cc(Cl)ccc4C)sc3n2)cc1 661553 NCWTTXMAQIJDMW-UHFFFAOYSA-N 423.925 5.768 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccc(OC(C)C)c4)c3)oc2c1 849010 MMYMVWRRRHZTOC-UHFFFAOYSA-N 400.478 6.151 0 40 HKAB COc1ccc(NC(=O)N(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C2CCCC2)cc1 1371244 IEMBSTJZASMZIC-UHFFFAOYSA-N 419.525 5.130 0 40 HKAB O=C(c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)N1CCc2ccccc21 2086171 VCNNSCNYKWFWEJ-UHFFFAOYSA-N 419.311 6.412 0 40 HKAB COC(=O)CSCCc1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs1 2383506 FCRMPWJKIYHAQY-UHFFFAOYSA-N 421.628 5.559 0 40 HKAB CCCCc1cc2c(=O)c(-c3cc4ccccc4o3)coc2cc1O[C@@H](C)C(=O)OC 2442648 PFDDKEMKUIPDFR-HNNXBMFYSA-N 420.461 5.489 0 40 HKAB biogenic Cc1ccc(-n2ncc3c(SCc4ccc(Cl)cc4Cl)ncnc32)cc1 2447002 QENOSPOMYYUFCB-UHFFFAOYSA-N 401.322 5.723 0 40 HKAB CCn1c2ccccc2c2cc(CN3CCC[C@@H](C(=O)N4CCCCCC4)C3)ccc21 2786610 HXAXUNQVCWXUSI-JOCHJYFZSA-N 417.597 5.429 0 40 HKAB O=C(Nc1nccs1)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 3154439 SEYNLPSHMOTMGR-UHFFFAOYSA-N 413.502 5.166 0 40 HKAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)c3cccs3)cc12 3229079 IRNXTRITICTPCX-UHFFFAOYSA-N 416.911 5.150 0 40 HKAB Cc1cc(Br)ccc1SCC(=O)OCC(=O)c1cc2ccccc2o1 3237290 XJQHPJPHXIOJGZ-UHFFFAOYSA-N 419.296 5.022 0 40 HKAB Cc1ccc(-c2nc(COc3c(Cl)cc(Cl)c4ccc(C)nc34)cs2)cc1 3300827 RKKAXGSNPLXRME-UHFFFAOYSA-N 415.345 6.861 0 40 HKAB CCC(=O)N(CC[C@@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccccc1 4027019 ORVCDMJZVJGXJV-DQEYMECFSA-N 407.598 5.879 0 40 HKAB biogenic Cc1ccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc4c(cc32)OCCO4)cc1 5028599 LIVOOFJFNWJQRZ-UHFFFAOYSA-N 407.473 5.331 0 40 HKAB Cc1ccc(CSCCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1 5682850 RTPCRAHREDFDGW-UHFFFAOYSA-N 407.604 5.951 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)c1cc2cc(Br)ccc2oc1=O 5860696 JYXGBALIZBKJPC-GFCCVEGCSA-N 400.272 5.321 0 40 HKAB COc1ccc(CCSc2nc3ccccc3c(=O)n2-c2cccc(C)c2C)cc1 5991695 MFYHEUSCDMUXHZ-UHFFFAOYSA-N 416.546 5.346 0 40 HKAB CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 6255698 LGFWXXVYKLOSKH-QGZVFWFLSA-N 421.589 5.617 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 6355898 VRQNVUGVPMWPPO-LLVKDONJSA-N 409.338 6.134 0 40 HKAB O=C(N/C=C(\c1ccccc1)[S@@](=O)Cc1ccccc1)Nc1ccccc1Cl 6575269 OXHRPTPKWHJDAN-SNZUYFENSA-N 410.926 5.409 0 40 HKAB Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)s2)c1 6651141 CDTDYTIROYTOCX-MPTYRVRUSA-N 404.605 5.012 0 40 HKAB Cc1cc(C)c2nc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)sc2c1 6825642 PSBLSTSKVHFAMU-UHFFFAOYSA-N 407.347 6.687 0 40 HKAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2F)s1 7754296 BHDSWRCZJKLCGA-UHFFFAOYSA-N 408.911 5.113 0 40 HKAB COc1ccc(NC(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)cc1OC 8328491 IVPVEZYHPLKLLB-UHFFFAOYSA-N 407.894 5.043 0 40 HKAB CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)[C@@H]1CC=CCC1 8406217 FHNRYCLGALVSLK-HXUWFJFHSA-N 419.956 5.567 0 40 HKAB COc1ccc(CCNCc2c(OCc3ccccc3F)ccc3ccccc23)cc1 8474287 YVBZTQDMSYXCNZ-UHFFFAOYSA-N 415.508 5.899 0 40 HKAB Cc1ccc2nc(-c3cc(NC(=O)COc4ccc(C)c(C)c4)ccc3Cl)oc2c1 8590636 ZUXVGSYDGIUNHS-UHFFFAOYSA-N 420.896 6.091 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CN1c1ccccc1Cl 8754809 HKSWNXXAIFJTIM-QGZVFWFLSA-N 419.887 5.398 0 40 HKAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3)o2)c(C)n1CCc1cccs1 9877797 UKXZDZMKHMFWKT-UHFFFAOYSA-N 423.563 5.434 0 40 HKAB O=C(Cc1ccc(Br)cc1)N[C@@H](c1ccc(F)cc1)c1cccs1 10291014 CELQWRFRQRFRHE-IBGZPJMESA-N 404.304 5.098 0 40 HKAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 10446182 FULIWDXYYGDOLJ-UHFFFAOYSA-N 409.490 5.144 0 40 HKAB Clc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(Cl)c(Cl)c3)c2c1 12082736 UXIWHPDESGLEHN-NCELDCMTSA-N 400.692 7.292 0 40 HKAB CCc1ccc2nc(N(CCCN(C)C)C(=O)c3nc4ccccc4s3)sc2c1 12140961 GKEFTZUUKUJWGH-UHFFFAOYSA-N 424.595 5.067 0 40 HKAB CC(C)(C)c1ccc(OCc2nc3ccccc3n2Cc2ccccc2Cl)cc1 12378329 PCVWJRDBOJYZRD-UHFFFAOYSA-N 404.941 6.615 0 40 HKAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C1\C(=O)Nc2ccc(Cl)cc21 12690828 BAPJMNBIESXIAM-MFOYZWKCSA-N 402.256 5.178 0 40 HKAB COc1ccc2oc(=O)c(-c3nnc(Nc4ccc(Cl)cc4Cl)s3)cc2c1 13633632 NXYSDAZYNGRAQK-UHFFFAOYSA-N 420.277 5.371 0 40 HKAB Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1ccccc1)O2 13770938 IIBBTTLBJOBAGV-XXBNENTESA-N 404.853 5.311 0 40 HKAB COc1ccc2cc([C@@H](C)C(=O)NCc3ccc(-c4csc(C)n4)s3)ccc2c1 15497546 OJSUGQYSJSOPCG-CQSZACIVSA-N 422.575 5.762 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2ccc(Cl)cc2)o1 17089711 IFCCCFBQKCFUFL-UHFFFAOYSA-N 413.864 6.396 0 40 HKAB CCCOc1ccc(C(=O)CCNc2ccc3c(c2)COc2ccccc2O3)cc1 19626883 NQNCHQYAZSEYMG-UHFFFAOYSA-N 403.478 5.845 0 40 HKAB O=C(C[C@@H]1c2ccccc2Sc2ccc(Cl)cc21)NC1C2CC3CC(C2)CC1C3 20512657 BZEXXNQQCGUGIP-DFLLUYNGSA-N 424.009 6.268 0 40 HKAB CCc1ccc(-n2nc3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1 20610137 QMKMPWMKEIXVAX-UHFFFAOYSA-N 422.941 5.367 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)cc1Cl 32578536 UFMQCHNYIGFNRG-UHFFFAOYSA-N 419.868 5.530 0 40 HKAB CC(C)=CCC/C(C)=C\CC/C(C)=C\CC/C=C(\C)CC/C=C(\C)CCC=C(C)C 32785907 YYGNTYWPHWGJRM-LIPVTOFQSA-N 410.730 10.605 0 40 HKAB in-vivo Cn1nc(C(F)(F)F)c(/C=C\C(=O)Oc2ccc(C3CCCCC3)cc2)c1Cl 33376520 XXXUHBXIFUFGRO-QXMHVHEDSA-N 412.839 5.759 0 40 HKAB COc1ccccc1Nc1nn(CN(Cc2ccc(C)o2)C(C)C)c(=S)s1 40151381 GAIQVNIOUIZQCX-UHFFFAOYSA-N 404.561 5.196 0 40 HKAB Cc1noc(-c2cccc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)c2)n1 40152763 JTNAULOHEOTIKT-UHFFFAOYSA-N 422.444 5.619 0 40 HKAB COc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)cc1 41076858 ZRZZGUFHAHNKDG-UHFFFAOYSA-N 418.518 5.099 0 40 HKAB Cc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2-c2ccc(Cl)cc2)cc1 44087564 VMHGZAXFZNMSGV-UHFFFAOYSA-N 411.958 5.216 0 40 HKAB CN(C(=O)c1cccs1)c1ccccc1C(=O)N[C@H]1CCc2c(Cl)cccc21 56337189 CAFQTHCPFMCYNU-SFHVURJKSA-N 410.926 5.095 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)c1 96037742 LQMKWFVHVISOIB-UHFFFAOYSA-N 422.532 5.891 0 40 HKAB O=C(NCc1cccnc1)c1ccc2c(c1)[C@@H]1[C@H]([C@@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 101283270 HSJXOMZEPTVVQC-NYJCFKENSA-N 409.533 5.308 0 40 HKAB COc1ccc([C@H]2N=C(Nc3nc4ccccc4o3)N=C3CC(C)(C)CC(O)=C32)cc1 102598000 QKHFJJYRSSIRMR-OAQYLSRUSA-N 416.481 5.432 0 40 HKAB Cc1cccc(C)c1N/C=C1/C(=O)N(c2cccc(Cl)c2)C(=O)c2ccccc21 103004310 OGHNJEZDJQWCOM-KGENOOAVSA-N 402.881 5.597 0 40 HKAB CC(C)Oc1ccccc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 106700325 LAEFIOYHNURAGR-NVMNQCDNSA-N 422.333 6.017 0 40 HKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@]12C 118916348 JNLBJTOWMWKEJV-YTXAUZKYSA-N 418.618 5.873 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923171 KZIUQJZMWULELD-XRWQUZPPSA-N 415.706 7.222 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2cccc(Cl)c2)cc1OCC 216266308 ZRMNDTAMCXLFCB-BEFAXECRSA-N 405.922 5.172 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1cccc2ccccc12 219046479 IPYTXSTVEOFXLG-IERDGZPVSA-N 405.494 5.034 0 40 HKAB Cc1ccc(SCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 219837177 JLJNCSHZEIZRKT-UHFFFAOYSA-N 411.954 5.750 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)C2CCN(Cc3ccccc3)CC2)c2ccccc2O1 223743141 WIXXKVHJVSAQBV-HSZRJFAPSA-N 406.570 5.097 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 224141343 ULUKELWTEHQNSJ-MIDMBNTASA-N 418.562 5.322 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 224178729 DYCUFTLBUKQKHO-IBGZPJMESA-N 417.549 6.063 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccc2ccccc2c1 224311365 IQTLUECLKDDBCQ-UHFFFAOYSA-N 411.501 6.297 0 40 HKAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COc1cccc(C)c1 224389150 MCZQZIPKJUORDN-UHFFFAOYSA-N 417.549 6.350 0 40 HKAB Cc1ccc(C(=O)Nc2nnc(SCc3cccc(Cl)c3)s2)c(Cl)c1 225006637 ZEAGXBWWRTXFDT-UHFFFAOYSA-N 410.351 5.698 0 40 HKAB CC(C)(C)c1ccc(O[C@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)O)cc1 225133686 YFYUKQVXZGVITH-HSZRJFAPSA-N 424.924 6.505 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 225510774 YNYWPYXEBDMJKH-OAQYLSRUSA-N 424.953 5.511 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c2ccccc12 225774233 XEYPXHYUZYUBTK-UHFFFAOYSA-N 403.522 5.624 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CCc1nc(-c2ccc(Br)cc2)no1 225818934 JWLHXZYDXBUWEM-UHFFFAOYSA-N 420.694 5.032 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c2cccnc12 225868594 CJGZDAPZFBFYSI-UHFFFAOYSA-N 420.528 6.393 0 40 HKAB CCc1s/c(=N\C(=O)c2cccs2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408560149 CFOYWKCCXNHWKA-UZYVYHOESA-N 411.379 5.908 0 40 HKAB O=C(Nc1cccc2ccccc12)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 408697603 IKLYXPZJEKMDAJ-UHFFFAOYSA-N 424.891 5.993 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C1\SC(=O)N(CCOc2ccccc2)C1=O 409052155 GIDLQTIIQLIHOE-YBEGLDIGSA-N 424.305 5.117 0 40 HKAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccccc1OCc1cccc(F)c1 409095687 IDWVXSKMXVLTJR-ODLFYWEKSA-N 413.370 5.916 0 40 HKAB CCc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2ccc(Cl)cc2)cc1 409103836 WZYBGVMTYKNDMA-UHFFFAOYSA-N 423.944 6.582 0 40 HKAB Cc1ccc(NC(=O)C[C@]2(C)Nc3ccccc3C(=O)N2c2ccccc2C)c(C)c1 717056 JWRRTADPEFNNOA-AREMUKBSSA-N 413.521 5.429 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 868885 BNYBBGTVNFXXDT-UHFFFAOYSA-N 414.534 5.282 0 40 HKAB COc1ccc2nc(NC(=O)CSc3nc4c(C)cccc4cc3C)sc2c1 932899 LDGUBNXDZHJASA-UHFFFAOYSA-N 409.536 5.201 0 40 HKAB CCC(=O)Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccc(C)cc1)c1ccccc1 987275 MWUSDENRMAAAKQ-XMMPIXPASA-N 401.462 5.125 0 40 HKAB Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)cc4C)ccc3o2)c1 1264599 HDYIACISUOAHCW-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)Nc3ccccc3)cc2c1 1327141 JHNRSGHIGDRWLS-UHFFFAOYSA-N 417.534 5.386 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)N(C[C@H](O)c1ccccc1)C1CCCCC1 2034917 ZZFFYFYQJHDPOZ-FQEVSTJZSA-N 406.448 5.606 0 40 HKAB Fc1cccc(-c2nnc(SCc3ccc(F)cc3Cl)n2-c2ccccc2)c1 2164361 GVQDDGDUZAOIEX-UHFFFAOYSA-N 413.880 6.158 0 40 HKAB COC(=O)c1c(Nc2ccc(Cl)cc2)sc(C(=O)c2ccc(OC)cc2)c1C 2184673 IZKRZFBARYVUJS-UHFFFAOYSA-N 415.898 5.480 0 40 HKAB CCc1ccccc1NC(=O)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12 2192871 FWEZYLLOOIDLBL-UHFFFAOYSA-N 418.500 5.878 0 40 HKAB Cc1nc2[nH]c(SCc3ccc(Cl)cc3Cl)nc2cc1Br 2224089 KGXCJHIJQYHHTA-UHFFFAOYSA-N 403.132 5.628 0 40 HKAB Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccccc3)sc2c1 2444004 RMWUCLFFFVHHTP-OAQYLSRUSA-N 424.481 5.461 0 40 HKAB CCOC(=O)c1cnc2c(-c3cccc(Br)c3)cnn2c1-c1ccccc1 2497533 VRCXJLRVZAUZTG-UHFFFAOYSA-N 422.282 5.003 0 40 HKAB CC(C)(C)c1ccc(OCCC(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 2621755 BZBAFGGPGHZNAA-UHFFFAOYSA-N 424.324 5.242 0 40 HKAB CCO[P@](=O)(C(NC(=O)c1ccccc1Cl)=C(Cl)Cl)c1ccccc1 3137492 VMAVKJVESZOFOO-VWLOTQADSA-N 418.644 5.314 0 40 HKAB CCOC(=O)C1=NN(c2ccccc2)[C@H](c2c[nH]c3ccccc23)N1c1ccc(C)cc1 3672013 QJTKMWGQSNYXOQ-RUZDIDTESA-N 424.504 5.378 0 40 HKAB Cc1ccc(OCCSc2nc3ccc(Br)cc3[nH]2)c(C(C)C)c1 4066925 RFTOXGVQNGYBHX-UHFFFAOYSA-N 405.361 5.928 0 40 HKAB O=C(OCc1nc2ccccc2s1)c1cc(-c2ccccc2)nn1-c1ccccc1 4363401 GPWIEFZLCXPIAD-UHFFFAOYSA-N 411.486 5.506 0 40 HKAB Cc1ccc(C)c(C(=O)CCC(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c1 4367488 JUBFMHZQFWGIPR-UHFFFAOYSA-N 415.489 5.115 0 40 HKAB Cc1ccc(NC(=O)N2N=C3c4ccccc4CC[C@H]3[C@H]2c2ccc(Cl)cc2)cc1 4665067 KFMBHNXCGMDNGS-ISKFKSNPSA-N 415.924 6.204 0 40 HKAB COc1ccccc1-c1cc(C(F)(F)F)nc(N2C[C@]3(C)C[C@H]2CC(C)(C)C3)n1 4757735 QTODJWROFYDYQA-SPLOXXLWSA-N 405.464 5.576 0 40 HKAB CC[C@@H](C)c1ccc(C(=O)CSc2nnc(-c3ccc(OC)cc3OC)o2)cc1 5392027 HIBGMUBCOZOVKV-CQSZACIVSA-N 412.511 5.242 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 6480748 KBQYSWLPYVDUIM-UHFFFAOYSA-N 422.333 6.417 0 40 HKAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCCCC2)c1nnc(-c2cccs2)o1 6843095 QMGUYYCWXZCURT-CQSZACIVSA-N 419.506 5.533 0 40 HKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 6995427 RLBIDTCWEJEYCH-WDJPJFJCSA-N 408.538 5.443 0 40 HKAB Cc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccccc4)n3)n2)cc1C 7995753 ABCKZHNSWMORLC-UHFFFAOYSA-N 405.548 5.732 0 40 HKAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1C 9019187 IUIKORJAACDSGD-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccccc1C(=O)c1ccc(Cl)cc1 9119433 XUFAVIINLRPALN-UHFFFAOYSA-N 417.848 5.092 0 40 HKAB Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(F)cc2)c1 9193239 MDCKYKVTFKXLBM-HXUWFJFHSA-N 420.827 5.039 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 9232182 PSZRQPXSTMYHIZ-JTQLQIEISA-N 417.214 5.004 0 40 HKAB Cc1nc2c(ccc3nc(NC(=O)c4cccc(Oc5ccccc5)c4)sc32)s1 9404325 SYFQMBINJRENLV-UHFFFAOYSA-N 417.515 6.259 0 40 HKAB O=C1c2ccccc2[C@@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1Cc1ccco1 9668418 DSDJYBCBXSCJSY-SANMLTNESA-N 422.459 6.312 0 40 HKAB CC(C)(C)c1ccc(OCc2nc3ccccc3n2Cc2cccc3ccccc23)cc1 12401117 ZMHYQVRPTFLXQN-UHFFFAOYSA-N 420.556 7.114 0 40 HKAB COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(Cl)cc2Cl)n1 12951110 VFIKTHOQMAMOML-UHFFFAOYSA-N 416.091 5.940 0 40 HKAB O=C(Nc1ccc(Br)cn1)c1ccc(COc2ccc(Cl)cc2)cc1 13882139 YSXAPEGSVCUCDP-UHFFFAOYSA-N 417.690 5.329 0 40 HKAB CCCOc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1 14651646 JFWGCSCGKSBJJR-UHFFFAOYSA-N 413.109 5.253 0 40 HKAB Cc1c(C(=O)c2ccc(Cl)cc2)oc2ccc(NC(=O)c3ccccc3Cl)cc12 16837867 ILJVWJLRWJTUBS-UHFFFAOYSA-N 424.283 6.531 0 40 HKAB biogenic COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(-c3ccccc3)n2)cc1OC 17090625 YJBXTKRUSHCVPN-UHFFFAOYSA-N 416.477 5.241 0 40 HKAB O=C(Nc1ccc(C23C[C@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1cccs1 17178373 YZWSNRVLZSNSPQ-YDXVBCDDSA-N 413.586 6.790 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1 17270779 BDLFTYXGFQNRDU-UHFFFAOYSA-N 419.529 5.026 0 40 HKAB Cc1cc(C)c2nc(Nc3nc(-c4cccs4)cc(C(F)(F)F)n3)nc(C)c2c1 20798211 GZRHZDHMWBRFKK-UHFFFAOYSA-N 415.444 5.836 0 40 HKAB CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@@H]3CC[C@]12C 21992628 TXUICONDJPYNPY-ZTZVNRAKSA-N 414.630 6.647 0 40 HKAB CCn1c(C2CC2)nn(CN2CCc3sccc3[C@@H]2c2cccs2)c1=S 23855769 HCJBFCGAPZDEDK-QGZVFWFLSA-N 402.614 5.040 0 40 HKAB Cc1ccc(OCCSc2nnc(SCCOc3ccc(C)cc3)s2)cc1 27233767 ZXTTWSPKWBEJTN-UHFFFAOYSA-N 418.609 5.497 0 40 HKAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1 27921638 CJFJYYHCFPPUIF-UXHICEINSA-N 424.342 5.053 0 40 HKAB CN(C(=O)c1cccs1)c1ccccc1C(=O)N1CCC(Cc2ccccc2)CC1 28269340 ZONWHMLRFVXBBN-UHFFFAOYSA-N 418.562 5.120 0 40 HKAB CCc1c(C(=O)c2ccc([C@H](C)NC(C)=O)cc2)oc2ccc(Br)cc12 32869590 JEPZNVPDULJMBF-LBPRGKRZSA-N 414.299 5.186 0 40 HKAB CCc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3Cl)C(O)=NC2=S)cc1 33626560 JATQKLGCYUVKNR-OQLLNIDSSA-N 405.306 5.227 0 40 HKAB COc1ccc(NC2(c3nnnn3-c3ccc(C(C)C)cc3)CCCCC2)cc1OC 35622678 DKIRBZPDBSRXRG-UHFFFAOYSA-N 421.545 5.074 0 40 HKAB Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccccc1C(F)(F)F 35684825 SNMHERIOLMVQMN-INIZCTEOSA-N 414.387 5.049 0 40 HKAB COc1ccc(C(=O)N2C(=S)C(c3ccc(F)cc3)=NC23CCCCCC3)cc1 45932856 MJMJELPGNRIYBG-UHFFFAOYSA-N 410.514 5.157 0 40 HKAB COc1cccc([C@H]2CCCN2C(=O)c2sc(Cc3ccc(F)cc3)nc2C)c1 48342386 NZMHSANVOOXUAA-HXUWFJFHSA-N 410.514 5.167 0 40 HKAB Cc1c(Cl)cccc1/N=c1\oc2cc(O)ccc2cc1C(=O)Nc1nccs1 67298202 IINBTQJNDDZXBV-NMWGTECJSA-N 411.870 5.041 0 40 HKAB CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccsc1 69375013 CWATYFOZPIZQBX-HXUWFJFHSA-N 418.547 5.360 0 40 HKAB COc1cc([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCCCCCC2)ccc1O 71281242 WQYUZZNEVXKRBC-IBGZPJMESA-N 401.532 5.474 0 40 HKAB C=Cc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccc(OC)cc2)cc1 71768748 DXFGZWFPBOUAEC-UHFFFAOYSA-N 420.559 5.450 0 40 HKAB CCOc1ccccc1[C@@H](CC(C)C)NC(=O)Cc1nc(-c2ccsc2)oc1C 72307260 ZTOXDXNFHOEXSO-HXUWFJFHSA-N 412.555 5.556 0 40 HKAB CCC[C@H](C)[C@@]1(CC)C(=O)N=C(SCc2cccc(Br)c2)N=C1O 95471920 KRELQFSGWJQQLO-LBPRGKRZSA-N 411.365 5.368 0 40 HKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CC3CCCC3)CC2)n1 100738892 YMQHTOLNLJGGRJ-GRGXKFILSA-N 420.601 5.632 0 40 HKAB O=C1S/C(=C\c2ccc(O)c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 106686689 IBYLZHOEPOBBJG-NVNXTCNLSA-N 424.703 5.045 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 222269658 HCNAIMNWEGFUMM-UHFFFAOYSA-N 411.760 5.237 0 40 HKAB Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 222632321 HUQHWZWJNQMHKX-ZEWGMFERSA-N 409.942 5.893 0 40 HKAB CCOc1c(Cl)cc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OC 222657668 GOIPQXABLJWGAM-CCKFTAQKSA-N 417.962 5.122 0 40 HKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 223085477 HKJWWSQOQOWLKA-QFIPXVFZSA-N 422.613 5.385 0 40 HKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 223764340 GCQLEUMUGXSCQD-VQTJNVASSA-N 401.934 5.696 0 40 HKAB S=C(NCC1(c2ccccc2)CCCC1)Nc1ncc(Br)cc1Cl 223970584 SJHOLALLRFTLMU-UHFFFAOYSA-N 424.795 5.296 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(Cl)cc3)c2)cc1 224159249 OFHVEUHWVOTVJF-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1cc(C)cc(C)c1 224199883 WVQMTFQFNZVFAM-NRFANRHFSA-N 417.549 5.642 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccccc1C(C)C 224228223 GVPCGUFAVVERPE-UHFFFAOYSA-N 403.522 6.267 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccccc1C 224375176 JDYXOQSUMFUUQC-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)c(I)c1 225030626 JIDISZUZFAYSTJ-UHFFFAOYSA-N 413.258 5.104 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 225679955 DNIZNJIVINPFLK-LJQANCHMSA-N 423.582 5.019 0 40 HKAB COc1cccc(OC)c1CCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 225995957 AEDWSZLOPBFNMP-UHFFFAOYSA-N 423.896 5.160 0 40 HKAB CCOC(=O)c1cc(Cl)c(OCc2ccc(Br)cc2)c(OCC)c1 226329052 FPFVGYVYNRIMHG-UHFFFAOYSA-N 413.695 5.257 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N1C[C@@H](C)C[C@@H](C)C1 226330940 QTYKNOFLVYCTDB-BETUJISGSA-N 406.357 5.619 0 40 HKAB COc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1Br 226343516 VMKWNALKVNFFLV-UHFFFAOYSA-N 416.500 5.417 0 40 HKAB COc1cccc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(F)cc3)O2)c1F 257314989 UZLJTUCMFGDHEL-MZKRTTBSSA-N 403.469 5.097 0 40 HKAB CCc1cccc(C)c1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408626161 ZSLZIABOTOLRAD-UHFFFAOYSA-N 416.908 5.952 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)c(C)c1 408695463 QOKPDZCCYQRQMD-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2cccc(Cl)c2)c1 408699924 XGHGIOPBFCZFSM-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1Cl 409020120 LZFUQJNAMYVJGA-JFENUBAZSA-N 419.905 5.893 0 40 HKAB CCOc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1 409080677 MGINHIQOERBEBM-UHFFFAOYSA-N 424.880 5.357 0 40 HKAB CCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Br)c(C)c3)o2)C1=O 409126883 GFKLXNUNKFXTQL-YBEGLDIGSA-N 406.301 5.464 0 40 HKAB CCCC[C@@H](CC)COC(=O)c1cc2c(Br)sc(C=O)c2s1 1776011039 STLQPFBMSVWYAZ-SNVBAGLBSA-N 403.363 5.911 0 40 HKAB COc1ccc2c(c1)N(C(=O)c1ccc(F)cc1)C(C)(C)c1ssc(=S)c1-2 797195 VSONAGGSJUNRHR-UHFFFAOYSA-N 417.552 6.249 0 40 HKAB CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)cc1 2177300 ARUBXTZAIBFTSZ-OVVICAPSSA-N 401.937 6.458 0 40 HKAB C1=C(c2ccccc2)N2N=C(c3ccccc3)O[C@]23CCCC[C@@H]3[C@@H]1c1ccccc1 2193336 ZJXHXEHIKDXOSE-OARDWFSCSA-N 406.529 6.405 0 40 HKAB CCCCc1nc2sc3c(SCc4ccc(F)cc4)ncnc3c2c2c1CCC2 2226622 MAHGJCOFWRVPAU-UHFFFAOYSA-N 423.582 6.502 0 40 HKAB C[C@@H]1CCCc2sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c3c21 2293745 PQPXCJRUEJAPGU-MRXNPFEDSA-N 418.587 6.179 0 40 HKAB CCCCSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@@](C)(CC)C4 2296665 SGFNZVZFQBBEGQ-SFHVURJKSA-N 408.618 5.195 0 40 HKAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)c1 2503076 LUYWECCYONCOFV-UHFFFAOYSA-N 410.429 5.085 0 40 HKAB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)COc1ccc(C)cc1 2889756 POYGNOXZBPFOIF-UHFFFAOYSA-N 409.507 5.144 0 40 HKAB Fc1ccccc1CSc1nc(Nc2ccc3c(c2)OCO3)c2ccccc2n1 2948921 YCWHFPVTYREUPD-UHFFFAOYSA-N 405.454 5.534 0 40 HKAB O=c1c2ccccc2nc(CSc2cccc(Cl)c2Cl)n1-c1ccccc1 3049175 XZXLNOAFYWWXLH-UHFFFAOYSA-N 413.329 5.985 0 40 HKAB O=C(CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)c1c[nH]c2ccccc12 3279368 GXDRRCDLJGMICZ-UHFFFAOYSA-N 416.550 5.771 0 40 HKAB O=C(OC[C@H]1CCCO1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 3287238 QMUBIKZQHGGVTA-MRXNPFEDSA-N 412.283 5.000 0 40 HKAB O=C(OCCOc1ccc(Br)cc1)C1(c2cccc(F)c2)CCCC1 3295067 SQSLMFSFCUGNFZ-UHFFFAOYSA-N 407.279 5.022 0 40 HKAB Cc1ccsc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 3323007 FFMMQMJAJYCHTL-UHFFFAOYSA-N 401.871 5.298 0 40 HKAB O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccc(Cl)cc1 3957245 WJPRVEVCHALTDT-UHFFFAOYSA-N 420.896 5.288 0 40 HKAB Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)C[C@@H](c1ccc(F)cc1)C3 4736629 QTYSBJGPAGSUKG-INIZCTEOSA-N 405.860 5.410 0 40 HKAB Clc1ccc(/C=C/c2ccnc(SCc3c(Cl)cccc3Cl)n2)cc1 5344184 QFLXQLNHHFSJKU-RMKNXTFCSA-N 407.753 6.900 0 40 HKAB O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 5400805 FFEMQQVRPUMOCL-IBGZPJMESA-N 408.502 5.102 0 40 HKAB CC(C)COP(=O)(OCC(C)C)[C@H](C)OP(=O)(OC(C)C)OC(C)C 5454120 FJLFRRYIKUXXDS-MRXNPFEDSA-N 402.405 5.845 0 40 HKAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)N1C(=N2)C(O)=Nc2ccccc21 5695808 NTNHVODYRDDRRY-QFIPXVFZSA-N 405.461 5.422 0 40 HKAB O=C(Nc1ccc(C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1)C12CC3CC(CC(C3)C1)C2 5863975 DWYLZRXNGARHNX-GCCNEOPLSA-N 424.028 6.671 0 40 HKAB Cc1cc(C)cc(NCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)c1 5986666 RSALOPVAXABRDN-UHFFFAOYSA-N 400.526 5.240 0 40 HKAB Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N1CCCCCC1 6127376 VALQDYXSPGOTND-UHFFFAOYSA-N 416.521 5.182 0 40 HKAB O=C(/C=C/c1ccccc1)NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1 6227372 RBEIXDFOHKHOLE-RMKNXTFCSA-N 408.335 5.130 0 40 HKAB COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)Nc1ccccc1Cl 6418752 KKGJMDYIJDQEGP-UHFFFAOYSA-N 409.873 5.553 0 40 HKAB Cc1cc(C(=O)CSCc2ccc(Cl)c(Cl)c2)c(C)n1Cc1ccco1 6938831 PVRXCINKTZUTCK-UHFFFAOYSA-N 408.350 6.169 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1 7080032 IUMMGBGSPRMTMW-KRWDZBQOSA-N 405.542 5.159 0 40 HKAB CCc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1 8107111 FQTGNVDUIPDJNH-GOSISDBHSA-N 408.542 5.060 0 40 HKAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccccc1SC[C@H]1CCCO1 8193431 USSFCLHMIJHCDQ-OAQYLSRUSA-N 410.583 5.590 0 40 HKAB Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 8664919 JRBUMNIZTPATAP-NRFANRHFSA-N 416.864 5.208 0 40 HKAB COc1ccc(C2=Nc3c(-c4ccccc4)c(C)nn3[C@H](c3cccnc3)C2)cc1OC 9625943 RRNNYNCFODCPSC-QFIPXVFZSA-N 424.504 5.385 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)ccc1Cl 10120136 ZYMAEWYXTPBCNN-UHFFFAOYSA-N 406.869 5.398 0 40 HKAB COc1ccc(-c2csc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 12210678 YELRSTREABFSSF-UHFFFAOYSA-N 424.469 5.568 0 40 HKAB Cc1c(-c2ccccc2)oc2c(C(=O)N(C)Cc3cccc(F)c3)cccc2c1=O 12552942 GJEQFHYWRFKYHB-UHFFFAOYSA-N 401.437 5.180 0 40 HKAB COc1cccc(NC(=O)[C@@H](Nc2ccc(N3CCCCC3)cc2)c2ccccc2)c1 12567310 YETDZRNSLBENJQ-VWLOTQADSA-N 415.537 5.477 0 40 HKAB C[C@H](NC(=O)CCCc1nc2ccccc2s1)c1ccc(Br)cc1 12770057 WNVPKSHSZWQUJD-ZDUSSCGKSA-N 403.345 5.259 0 40 HKAB Cc1ccc(C)n1NC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccccc2C(C)C)cc1 12799957 HTMKOUPPHONNPJ-LJQANCHMSA-N 419.525 5.018 0 40 HKAB Cc1ccccc1[C@H](C)NCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 13041901 VNJMQRCARAFLIM-KRWDZBQOSA-N 406.913 5.169 0 40 HKAB CC(=O)N(c1ccccc1)c1nc(COC(=O)CCc2ccccc2Cl)cs1 13070024 BFQBFGFIADDWQV-UHFFFAOYSA-N 414.914 5.157 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(CSc2ccccc2)cc1 13716991 XXXQZICQZWEESM-UHFFFAOYSA-N 423.581 7.140 0 40 HKAB CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN2Cc2ccc3ncccc3c2)n1 19689523 FUCFSAHOIUZVSH-DEOSSOPVSA-N 409.537 5.095 0 40 HKAB Cc1cccc(CNC(=O)c2c(-c3ccc(Cl)cc3)c3cc(Cl)ccc3n2C)c1 19894337 XJHWDGPTZVUZFX-UHFFFAOYSA-N 423.343 6.391 0 40 HKAB COc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)ccc1-c1ccc(CO)o1 20139909 CAWNLOQAKJEICT-UHFFFAOYSA-N 423.852 5.613 0 40 HKAB Cc1cc(C)c(C)c(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)c1C 21405501 HFJWVSHKBQXULR-UHFFFAOYSA-N 405.523 6.226 0 40 HKAB Cc1ccc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cn1 22416059 WRXPNFBPAFJVNA-UHFFFAOYSA-N 411.836 5.362 0 40 HKAB O=C(NCc1ccccn1)c1ccc(CSc2nc(-c3ccccc3)cs2)o1 23136433 DHZBUGBDEYJONI-UHFFFAOYSA-N 407.520 5.020 0 40 HKAB COc1cc2sc(NC(=O)c3cccc(OCc4ccccc4)c3)nc2cc1Cl 32126722 QYKXPNXLULFNBJ-UHFFFAOYSA-N 424.909 5.790 0 40 HKAB COc1cc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc(Cl)c1OC 33879707 NPSFOQIOCAZCQI-NWFCWYBLSA-N 423.896 5.727 0 40 HKAB CC(C)n1c([C@@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)on2)nc2ccccc21 35316987 NFKQHXINJJIWPC-CQSZACIVSA-N 408.889 5.417 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc2cc(Br)ccc2o1 41007280 FIJAZVRMYXKFBB-UHFFFAOYSA-N 418.596 6.120 0 40 HKAB Brc1ccc2c(Br)c(OCC[C@H]3CCCCN3)ccc2c1 42770344 DZTIXUTZTIPEMG-CQSZACIVSA-N 413.153 5.276 0 40 HKAB C[C@@H]1CCCCN1C(=O)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Cl)nc2c1 59843030 YICNZASRAAALBK-LLVKDONJSA-N 423.727 6.470 0 40 HKAB Cc1cc(C)c(NC(=S)N[C@@H](C)c2nc(-c3ccc(F)cc3)no2)c(Cl)c1 64378082 PPKXUDFVTBHHCU-LBPRGKRZSA-N 404.898 5.194 0 40 HKAB Cc1ccc(NC(=O)CSc2ccc(-c3ccccc3Cl)nn2)c(Cl)c1 90610080 DUOBNYDBRDVSIH-UHFFFAOYSA-N 404.322 5.490 0 40 HKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1F 107041070 DXECIFQMHLLMIA-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB COc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 107042364 HXJQNSLZKWGSGW-UHFFFAOYSA-N 418.320 6.202 0 40 HKAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1cc(Br)ccc1Cl 107934105 BDDYIZGNGPTMKZ-UHFFFAOYSA-N 414.130 5.608 0 40 HKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2cccc(I)c2)c1 199714454 ZZYKWROVJGOQLJ-UHFFFAOYSA-N 410.255 5.068 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)N1CCS[C@H](c2ccccc2)CC1 208040151 XQEDHZUCTPABKY-VWLOTQADSA-N 401.575 5.915 0 40 HKAB C[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(C(C)(C)C)cc1 219842357 LJTNLNJHUPLDPD-GOSISDBHSA-N 421.968 6.708 0 40 HKAB O=C(NCc1ccc2ccccc2c1)c1cccc(OCc2ccccc2Cl)c1 222803835 WKMLKJXIQONWPR-UHFFFAOYSA-N 401.893 6.002 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)c1 224293397 JNOZQLOUZOJIIV-DNQXCXABSA-N 416.594 5.629 0 40 HKAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H](c3ccccc3)c3ccccc3C)cc2)n1 225289513 NOXHFHHBMWOUOP-AREMUKBSSA-N 409.533 5.376 0 40 HKAB C[C@H](NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1)c1ccc(Cl)cc1 225806072 DPOYJVHSMQNZSK-LBPRGKRZSA-N 423.822 5.219 0 40 HKAB Cc1ccc2[nH]c(C(=O)N(CC(=O)O)Cc3cccc(F)c3)c(-c3ccccc3)c2c1 257344410 ZXBYUXIDXZPRRY-UHFFFAOYSA-N 416.452 5.009 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)NC(c1ccccc1)c1ccccc1 408563276 KSHAYGYMPHBECO-UHFFFAOYSA-N 416.373 6.132 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccccc2)c1 408698413 NOMNQRHPPJVUKE-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C\c1cccc(Cl)c1 408970005 YMDHZNKBMWWNGR-QPEQYQDCSA-N 408.693 6.206 0 40 HKAB Cc1ccc(OCCSc2nnc(-c3ccccc3)n2-c2cccc(C)c2)cc1 409095991 CDWCUXUKBNMEDR-UHFFFAOYSA-N 401.535 5.722 0 40 HKAB O=C(Nc1cccc(F)c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409174391 RURSYWKDLUPLCQ-PWXYAVEVSA-N 412.508 6.375 0 40 HKAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c1 409205024 FKCMXIOWVLNXBP-UHFFFAOYSA-N 412.942 5.990 0 40 HKAB CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=O)N(CCc2ccccc2)C1=O 409218502 VSCDAWSMQRMODS-XQNSMLJCSA-N 417.530 5.906 0 40 HKAB Cc1ccc(Cl)cc1NCc1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 409262692 GLFBNXKMTMDWLI-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB Cc1sc2nc(-c3cccnc3)nc(NCc3cnccc3C(F)(F)F)c2c1C 1154903624 ZLXQAGISWXEZSV-UHFFFAOYSA-N 415.444 5.396 0 40 HKAB Cc1ccc(NC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCCC4)cc1 664041 DOCLDDDTIGTURH-UHFFFAOYSA-N 405.445 5.337 0 40 HKAB COc1ccc(-c2cc3cc(OC)c(OC)cc3c(-c3ccc(OC)cc3)n2)cc1 727484 PQDMPSJNQCTMOH-UHFFFAOYSA-N 401.462 5.603 0 40 HKAB Cc1cc(SCC(=O)Nc2ccccc2)nc(SCc2ccc(Cl)cc2)n1 786377 LCTVPFOQXVRNGN-UHFFFAOYSA-N 415.971 5.462 0 40 HKAB Cc1ccc(C(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCCC4)cc1 1302758 JMERBGHTCNIXOU-UHFFFAOYSA-N 402.519 5.947 0 40 HKAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)c1ccco1)c1ccccc1Cl 1380202 CBYXORSFJIKKID-QFIPXVFZSA-N 422.912 5.380 0 40 HKAB O=C(Cn1c(CSc2ccc(Cl)cc2)nc2ccccc21)Nc1ccccc1 1400789 NMTQTELHFPCERW-UHFFFAOYSA-N 407.926 5.621 0 40 HKAB COc1c(Cl)c(C)c2c(c1Cl)OC(=O)c1c(C)c(Cl)c(O)c(Cl)c1O2 1686962 AXZCNBVMHHTPKA-UHFFFAOYSA-N 424.063 5.956 0 40 HKAB biogenic CCCCCOc1ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc2c1 1769077 PPDNAAFERDFEGD-UHFFFAOYSA-N 410.819 6.701 0 40 HKAB COc1ccc2o/c(=N\c3ccc(Cl)cc3)c(-c3nc4ccccc4[nH]3)cc2c1 2183060 KQHXZCGALIEVDV-BZZOAKBMSA-N 401.853 5.871 0 40 HKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc2ccccc2cc1O 2264557 LERMNBSCJUORJP-DEOSSOPVSA-N 416.860 5.980 0 40 HKAB CCCCn1c(O)c(C(=O)Nc2cccc(Cl)c2Cl)c(=O)c2ccccc21 2291190 JMEFEWNZYRREML-UHFFFAOYSA-N 405.281 5.066 0 40 HKAB Cc1nn(-c2ccccc2)c(NC(=O)c2ccccc2)c(-c2ccccc2Cl)c1=O 2328716 UEZCHMBOQVZCBC-UHFFFAOYSA-N 415.880 5.114 0 40 HKAB CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2c(F)cccc2Cl)cc1 2668901 AVGAWALWAPQRCU-SFHVURJKSA-N 420.959 7.227 0 40 HKAB CCc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCC6)o2)cc1 2791123 GUJIVCOPOYCIIH-UHFFFAOYSA-N 416.506 5.229 0 40 HKAB Cc1cccc(-c2nsc(SCC(=O)Nc3ccc(Br)cc3)n2)c1 2917522 ANIPSGQGOZGZCQ-UHFFFAOYSA-N 420.357 5.007 0 40 HKAB O=C(Nc1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(Cl)c(Cl)c1 3111173 LMVBKDMMDBFSPC-UHFFFAOYSA-N 422.764 7.191 0 40 HKAB Cc1sc2ncnc(SCC(=O)Nc3ccccc3Oc3ccccc3)c2c1C 3229341 ZONDFAHIVHUEOX-UHFFFAOYSA-N 421.547 5.831 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)c3nc(C)cc(-c4ccc(Cl)cc4)c23)cc1 3353190 DSZJHLVKWNSYJC-UHFFFAOYSA-N 409.920 7.025 0 40 HKAB Cc1cccc(-c2noc(COc3ccc(C(C)(C)C)cc3Br)n2)c1 3653538 RTYCQFPRLLCEOX-UHFFFAOYSA-N 401.304 5.684 0 40 HKAB COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 4309639 SMEZCCDUTACTOW-LADGPHEKSA-N 404.897 5.899 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)c1 4311879 COWOHOCUIZWIIE-IPEXIJNSSA-N 422.572 6.901 0 40 HKAB COc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)cc1 4592939 AXRJIQBBTGPKHV-UHFFFAOYSA-N 411.457 5.259 0 40 HKAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCc4ccccc4)c(C)c3cc2c1C 4743801 FGJPRQBPPLNKHZ-UHFFFAOYSA-N 403.478 5.022 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc(-c3nc4cc(CC)ccc4o3)cc2)c1 4832501 LQKUXPCXWGQIQS-UHFFFAOYSA-N 414.505 6.488 0 40 HKAB CCOc1ccc(-c2nnc(N(CC(C)C)C(=O)CCC3CCCC3)s2)cc1 4982619 IKUWCPHZUIPVMB-UHFFFAOYSA-N 401.576 5.563 0 40 HKAB CSc1cccc2sc(Nc3nc4ccc5nc(C)sc5c4s3)nc12 5122742 PCDGUYGLHUOTGE-UHFFFAOYSA-N 400.579 6.290 0 40 HKAB CCCO[P@@](=O)(OC=C(Cl)Cl)O[C@@](C)(CC)C(Cl)(Cl)Cl 5431482 FQKMTSBABMRBHT-LXGOIASLSA-N 408.473 6.370 0 40 HKAB O=C(COc1ccc(Cl)cc1)Oc1cc(-c2ccccc2)c2oc(=O)sc2c1 6809642 CZKBLUYMZNOJCH-UHFFFAOYSA-N 412.850 5.159 0 40 HKAB Cc1nnc2c(Nc3cccc(Cl)c3)nc3ccc(C(=O)c4ccccc4)cc3n12 6901728 WELUODHXACRNAV-UHFFFAOYSA-N 413.868 5.214 0 40 HKAB O=C(O)[C@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)Nc1cccc2ccccc12 8783140 HRFFRKOABNIECS-RTBURBONSA-N 412.898 5.226 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc2nc(SCCOc3ccccc3)sc2c1 8830891 RFIJHJHUFGURIZ-UHFFFAOYSA-N 420.559 6.028 0 40 HKAB CC(C)c1ccc(NC(=O)CCC(=O)N2c3ccccc3C[C@H]2c2ccccc2)cc1 9095220 DSLGKZZADSQQTJ-VWLOTQADSA-N 412.533 5.859 0 40 HKAB Cc1cc(NC(=O)c2cccc3c(Cl)cccc23)ccc1NC(=O)c1ccco1 9190331 DJVTZRNSTVRITG-UHFFFAOYSA-N 404.853 5.899 0 40 HKAB O=c1[nH]c(CSc2nnc(C3CCCCC3)o2)nc2scc(-c3ccccc3)c12 9478111 OLXNLLRUMGLMCG-UHFFFAOYSA-N 424.551 5.375 0 40 HKAB Brc1cccc(CSc2nnc(C3CC3)n2Cc2ccccc2)c1 9501443 YRXLTAKPDYESHV-UHFFFAOYSA-N 400.345 5.259 0 40 HKAB O=C(Nc1nc(-c2cccnc2)cs1)[C@@H](Sc1ccccc1)c1ccccc1 9514929 KRGALPPFLCGBNH-FQEVSTJZSA-N 403.532 5.677 0 40 HKAB Cc1cc2nc(-c3ccc(CNC(=O)COc4ccc(Cl)cc4)cc3)oc2cc1C 10120450 TYQHBKWDBWEWBG-UHFFFAOYSA-N 420.896 5.460 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(Cl)cc2)OC3=O)c1 12274623 LQDFOMQYHYPFFW-JOCHJYFZSA-N 405.881 5.663 0 40 HKAB Fc1ccc(-c2cnc(CSc3nnc(NCCc4cccs4)s3)o2)cc1 12776130 WTGWEZVDNSYWFE-UHFFFAOYSA-N 418.544 5.341 0 40 HKAB Cc1ccc(-n2nnnc2SCCC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 12864233 XERXCDILZKZGER-UHFFFAOYSA-N 423.586 5.338 0 40 HKAB CN(Cc1ccccc1)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S 13074146 DPOUTJNLLGDFCU-UHFFFAOYSA-N 420.969 5.813 0 40 HKAB CN(C(=O)C[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@H]1CCOC(C)(C)C1 13681678 UILRNQWJILQPJY-LEWJYISDSA-N 403.925 5.417 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c1 14118860 VVWNUKDSMQGLDG-CYBMUJFWSA-N 418.415 5.380 0 40 HKAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc(Cl)c1 18156410 MOHSVONVIGPRDB-UEQSERJNSA-N 413.904 5.583 0 40 HKAB biogenic Cc1ccccc1CS(=O)(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 20110253 XCNXQFRONHCONX-UHFFFAOYSA-N 421.562 5.465 0 40 HKAB C[C@@H](NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccc(C(C)(C)C)cc1 20111656 FNWAMQMXYJJBMN-HXUWFJFHSA-N 412.577 6.038 0 40 HKAB COc1ccc([C@](O)(c2ccc(C)cc2)[C@H](CN2CCCCC2)c2ccccc2)cc1 27241113 FKJYZKASQVGULX-VSGBNLITSA-N 415.577 5.509 0 40 HKAB O=C(NC1CC1)c1ccccc1NC(=O)c1sc2cccc(Cl)c2c1Cl 28415642 YEXBGLGANHNURG-UHFFFAOYSA-N 405.306 5.353 0 40 HKAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1C 32126756 WZRQWNGRBHHKPA-UHFFFAOYSA-N 422.484 6.282 0 40 HKAB Clc1ccc(Cc2nc(CSc3nnc(-c4cccnc4)o3)cs2)cc1 32324605 JBAMRHGRWJZOSB-UHFFFAOYSA-N 400.916 5.125 0 40 HKAB CSc1ccc(Nc2nc3ccccc3nc2Nc2ccc(SC)cc2)cc1 32647068 FSBZBRHEPBRYHN-UHFFFAOYSA-N 404.564 6.561 0 40 HKAB Cc1cc(C)cc(-c2nnc(SC[C@H]3CSc4nnc(-c5ccccc5)n43)o2)c1 32906012 BWFLGRHVNCSYBM-QGZVFWFLSA-N 421.551 5.051 0 40 HKAB O=C1N=C(Nc2cc(C(F)(F)F)ccc2Cl)S/C1=C\c1c[nH]c2ccccc12 38183455 GJXLSNDEOWXCCC-APSNUPSMSA-N 421.831 5.923 0 40 HKAB O=C(CCc1nc(Cc2ccccc2)no1)N(Cc1ccc(F)cc1)C1CCCCC1 40130741 LVGVJAZKMLZYLT-UHFFFAOYSA-N 421.516 5.094 0 40 HKAB Cc1ccccc1[C@@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccccc1 44841808 HSSJVVJPFJSVHF-KYERJPCBSA-N 403.525 6.441 0 40 HKAB Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccc(Cl)cc3Cl)o2)c1 59179721 JTZSAGXQYHKZBM-UHFFFAOYSA-N 423.365 6.680 0 40 HKAB Cc1ccc(Cc2cnc(NC(=O)/C=C/c3cc4cc(Cl)ccc4o3)s2)cc1 67339199 RWGSMGAUVCSIJD-VQHVLOKHSA-N 408.910 6.094 0 40 HKAB O=C(Nc1ccccc1SC[C@H]1CC1(Cl)Cl)c1cccc(OC(F)F)c1 72272693 UONRYFLSYOEINU-GFCCVEGCSA-N 418.292 5.826 0 40 HKAB C1=C(c2ccccc2)Nc2ncnn2[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 101088069 BYRLTRZMBCPKFW-NRFANRHFSA-N 422.517 5.248 0 40 HKAB Cc1ccc([C@H]2CC3=Nc4nc5ccccc5n4[C@@H](c4cccs4)C3=C(O)C2)cc1 102668958 BSEPXSIDYYHJIY-XDHUDOTRSA-N 411.530 6.471 0 40 HKAB Cc1cccc([C@H]2CC3=Nc4nc(C)nn4[C@@H](c4cc(F)cc(F)c4)C3=C(O)C2)c1 102681071 UECYRFZKKOZGIK-NYHFZMIOSA-N 406.436 5.238 0 40 HKAB C[C@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)N1[C@@H](C)CCC[C@@H]1C 103414024 GVHRIGWZAPAXDC-NTLWEQJWSA-N 409.599 5.129 0 40 HKAB C[C@H](CCc1ccccc1Cl)NC(=O)c1cc(-c2cnn(C)c2)nc2ccccc12 141546715 UATOVEOPZMFVJF-MRXNPFEDSA-N 418.928 5.040 0 40 HKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1C 216295652 WQADYADTHSGIDM-XMMPIXPASA-N 405.563 6.392 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)cc1 222835157 SFDSXOPMRUBWMO-HSZRJFAPSA-N 409.526 5.318 0 40 HKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 222890453 GCRXTZBSEPXFMV-DNQXCXABSA-N 412.562 5.408 0 40 HKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1nnc(SCc2ccccc2)s1 223290288 YAKVXSGFKHPUDG-HNNXBMFYSA-N 413.568 5.360 0 40 HKAB Cc1nc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c(Cl)cc1Cl 223980901 CRCBFDBRFKUOTN-UHFFFAOYSA-N 412.361 5.634 0 40 HKAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccccc1Cl 224131919 CZPHZNUJTBMKEX-UHFFFAOYSA-N 416.304 5.511 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1cccc2ccccc12 224630533 KPUWJTDAZOMKTJ-UHFFFAOYSA-N 415.464 6.209 0 40 HKAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 224701223 DJIQWHGZLSZLMW-OAQYLSRUSA-N 416.565 5.024 0 40 HKAB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 225336855 PZQZROOHSWBEAG-DHIUTWEWSA-N 420.582 5.428 0 40 HKAB Cc1ccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)cc1Cl 225344846 OKKSZVUYBNXQOC-UHFFFAOYSA-N 419.830 6.175 0 40 HKAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1cccc(Br)c1 225626357 MUZVVLZRICKCBX-UHFFFAOYSA-N 408.255 5.213 0 40 HKAB C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 226069701 LZMSFENOCCKTTA-MQSCRBSSSA-N 419.650 5.420 0 40 HKAB CCCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1Cl 408553877 BRCJEBDQCDOFPZ-UHFFFAOYSA-N 423.565 6.810 0 40 HKAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(OCc2cccc(F)c2)cc1 408815271 PWDXGMBKKUVIMV-UHFFFAOYSA-N 423.464 5.307 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1Cc3ccccc3[C@@H]21 408994527 HXNKXLZIAREFGQ-PCCBWWKXSA-N 420.306 5.618 0 40 HKAB O=C1N/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1c1cccc(Cl)c1 409102193 VEWBCIOQELNSOL-CIAFOILYSA-N 422.843 5.155 0 40 HKAB Clc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 409119723 STGUWNOEXDKSJY-UHFFFAOYSA-N 412.345 6.533 0 40 HKAB Cc1ccccc1-c1cc(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)(C)C)no1 585152347 RUIAAYIGDIOKQT-HXUWFJFHSA-N 416.481 5.217 0 40 HKAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 901426 SXDPVHWXDFDBTH-RYUDHWBXSA-N 415.506 5.106 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cc(Cl)ccc1Cl 1262726 SSIPDGAGPBIGAE-UHFFFAOYSA-N 403.231 5.865 0 40 HKAB Cc1ccccc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 1392129 IVIKFMFIHBCTOY-UHFFFAOYSA-N 409.363 6.156 0 40 HKAB O=C(Nc1ccc(NC(=O)OCc2ccccc2)c(Cl)c1)OCc1ccccc1 1583199 QCMXAWRGOMUKHN-UHFFFAOYSA-N 410.857 5.837 0 40 HKAB O=C1C(Cl)=C(Oc2ccc(-c3ccccc3)cc2)C(=O)N1c1cccc(Cl)c1 1917440 IWYINCLVSDZSQC-UHFFFAOYSA-N 410.256 5.410 0 40 HKAB CCOc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(F)cc1 2052493 KJIKDTWBRRJCDN-QHCPKHFHSA-N 408.498 5.500 0 40 HKAB aggregator O=C(Nc1ccc(OC(=O)c2cccc3ccccc23)cc1)c1cccc2ccccc12 2057798 LSUDNLYCBHRETO-UHFFFAOYSA-N 417.464 6.465 0 40 HKAB COc1ccc(COc2ccc3c(=O)c(Oc4ccccc4OC)coc3c2)cc1 2099371 ZMKKQFVOQQRQDE-UHFFFAOYSA-N 404.418 5.182 0 40 HKAB biogenic CCOC(=O)C1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@@H]1c1ccc(Cl)cc1 2154076 HIZMAYWNQKGFSZ-SFHVURJKSA-N 414.288 5.404 0 40 HKAB O=P(Nc1ccc(Br)cc1)(OCC(F)(F)F)OCC(F)(F)F 2291583 HPJZVNGETLIVFB-UHFFFAOYSA-N 416.052 5.127 0 40 HKAB CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccccn1 2383326 RHFZYAPIBRHSRS-UHFFFAOYSA-N 400.507 5.002 0 40 HKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccc(F)cc4)ncnc32)cc1 2715247 MTPRIWAXSQAJSW-UHFFFAOYSA-N 424.479 6.369 0 40 HKAB O=C(Cc1ccccc1)NCCSc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 2721219 KIJMGRIMVSRZTK-UHFFFAOYSA-N 420.965 5.939 0 40 HKAB c1ccc2oc(-c3ccc(Oc4ccc(-c5nc6ccccc6o5)cc4)cc3)nc2c1 3147035 IWIQCRAJCXFMTP-UHFFFAOYSA-N 404.425 7.095 0 40 HKAB CCCCCCc1ccc(N[C@H](NC(=O)CC(C)C)C(Cl)(Cl)Cl)cc1 3176751 UFINLVYCVVBUEN-GOSISDBHSA-N 407.813 6.080 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)o1 3345471 GUVABWATEOHFPE-HUUCEWRRSA-N 411.527 5.378 0 40 HKAB CCc1cccc(OCCOC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1 3378825 CEGUVZUBSNDDJA-UHFFFAOYSA-N 412.489 5.338 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCc3ccc(Cl)s3)cc12 3456997 ADAMXLQFRQVGIY-UHFFFAOYSA-N 423.346 6.121 0 40 HKAB CCCCOc1ccc(C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)cc1 3655435 IEFNATSEWLURAP-UHFFFAOYSA-N 413.473 6.095 0 40 HKAB COc1ccc(C2=C[C@@H](c3ccccc3)[C@H]3CCCC[C@]34Oc3ccccc3N24)cc1 3999168 HGGPYRPVMWSYOB-JPYHZWLXSA-N 409.529 6.619 0 40 HKAB CCC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)Cc1ccccc1 4043423 ZDBBRQSWYMQDPX-AHKZPQOWSA-N 407.598 5.897 0 40 HKAB biogenic CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CC)CC4)cn3)cc2)CC1 4321156 AEJWOIZFCZVJOQ-UHFFFAOYSA-N 417.681 9.287 0 40 HKAB Cc1cccc(-c2nc(C)c(CCNC(=O)c3cccc(C(F)(F)F)c3)s2)c1 4392496 PWJVNWVGFDPQNY-UHFFFAOYSA-N 404.457 5.418 0 40 HKAB Clc1ccc(-c2cn3nc(COc4ccccc4)n4c3c2CCCC4)cc1Cl 4602460 KOFWAXGSIYKENZ-UHFFFAOYSA-N 412.320 6.025 0 40 HKAB Cc1cccc(C)c1Nc1c(-c2cc(Br)ccc2O)nc2ncccn12 4735149 UUGKBJVVRSSVKC-UHFFFAOYSA-N 409.287 5.225 0 40 HKAB O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(c2ccccc2F)CC1 4781146 AGVWENKFSHEFSX-UHFFFAOYSA-N 417.509 5.065 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nncn2-c2ccccc2)c2ccccc2)c1 4835142 BWRFZPWBLRMULI-JOCHJYFZSA-N 414.534 5.356 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2ccc(O)c(-c3nc4cc(C)c(C)cc4o3)c2)c1 4893837 LZBCIZNALPWRBX-UHFFFAOYSA-N 418.449 5.087 0 40 HKAB CCc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(C)cc23)cc1 4970250 DZRADSHSPHMLFF-UHFFFAOYSA-N 411.936 7.073 0 40 HKAB COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1ccco1)N2Cc1ccccc1 4984391 ZHLJKTQAWJWBRF-XBZNOJLSSA-N 417.505 5.034 0 40 HKAB C/C=C\Cc1c(C)nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2c1C 5223589 SSFSVSCSEHFQSS-PLNGDYQASA-N 415.356 5.607 0 40 HKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3C[C@H]3CC3(Cl)Cl)CC2=O)c1 5235786 SDVBGEUARHAVSP-HZPDHXFCSA-N 414.336 5.059 0 40 HKAB Cc1ccc(NC(=O)NC[C@@H]2C[C@@H](NC(=O)Nc3ccc(C)cc3C)C2(C)C)c(C)c1 5744647 COGJRLXAOHEOAO-SIKLNZKXSA-N 422.573 5.278 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(NC(=O)c4ccccc4)cc3)o2)cc1C 6846291 LRWWSXJNDDGMAA-UHFFFAOYSA-N 410.473 6.068 0 40 HKAB CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4c(OC)cccc4OC)c3)nc2c1 8087659 HYEZMLXRQZIRGJ-UHFFFAOYSA-N 416.477 5.635 0 40 HKAB COc1ccc2ccc(OC)c(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c2c1 8166471 JIEAHJYNDUQOKB-JJIBRWJFSA-N 407.469 6.076 0 40 HKAB COc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(C)cc2)c1 9210011 OEVDOVALBKSMAJ-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB CC(C)c1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3F)c3ccccn23)cc1 9317008 DQZLTJJNRUZYLB-UHFFFAOYSA-N 415.468 5.267 0 40 HKAB COc1ccc(Cn2c(C)c(C)c(-c3nc4ccccc4[nH]3)c2NC(=O)C(C)C)cc1 9418523 BHZGXMBMIPHACG-UHFFFAOYSA-N 416.525 5.300 0 40 HKAB O=C(Nc1nc2c(Br)cccc2s1)c1ccc(Br)s1 9599634 MBEWOKVXQQUWFQ-UHFFFAOYSA-N 418.135 5.135 0 40 HKAB S=C(NC[C@@H]1CCCO1)Nc1ccc(Sc2ccc(Br)cc2)cc1 9632719 WYWDYDMKNOKHJY-HNNXBMFYSA-N 423.401 5.066 0 40 HKAB Cc1c(Cl)ccc2sc(N(C[C@@H]3CCCO3)C(=O)c3cccc(Cl)c3)nc12 11159005 QWMZLPJFHMFESE-HNNXBMFYSA-N 421.349 5.737 0 40 HKAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCOc1ccccc1Cl 11667391 ZWXLXRQQWTWGGH-MRXNPFEDSA-N 423.900 5.243 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O 12635776 WBCBVAQLIVHUCN-UHFFFAOYSA-N 415.946 5.220 0 40 HKAB CCC(CC)NC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 13096312 IORNTOZCKRDNSK-UHFFFAOYSA-N 420.340 5.227 0 40 HKAB O=C1c2ccccc2[C@@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1C1CCCCC1 13943849 NRHZNHDHOPXBBX-MHZLTWQESA-N 424.519 6.852 0 40 HKAB CCCCN1C(=O)c2cccc3c(NC(=O)Cc4ccc(OC)c(C)c4)ccc1c23 13971995 QNGFNAXSAKFUQN-UHFFFAOYSA-N 402.494 5.098 0 40 HKAB Cc1sc2nc(-c3cccnc3)nc(NC3CCC(O)CC3)c2c1-c1ccccc1 14198883 IDCVALOGIXDMBX-UHFFFAOYSA-N 416.550 5.444 0 40 HKAB CCN(CC)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 14428658 UFQBEQRWAJZMGP-UHFFFAOYSA-N 411.509 5.033 0 40 HKAB COc1ccc(CCn2c(C)cc(C(=O)CSc3nc(C)cs3)c2C)cc1 15279614 FFFZNVAALVBJHP-UHFFFAOYSA-N 400.569 5.096 0 40 HKAB Cc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1Cl 15881176 ABMGTJZKAZYGGK-UHFFFAOYSA-N 421.924 6.193 0 40 HKAB CCCCOc1ccc(-c2c/c(=N\[C@@H](C(=O)O)C(C)C)c3cc(C)ccc3o2)cc1 15912689 PRZUPWZIZZLTDO-ZJDGTFPOSA-N 407.510 5.597 0 40 HKAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(C(C)C)cc4)c3)nn12 16162664 RAOYJAWBFCFBTI-UHFFFAOYSA-N 405.527 5.099 0 40 HKAB COc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 16323164 XYHOAADOSTXAKS-UHFFFAOYSA-N 402.494 5.497 0 40 HKAB Cc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1C 16789440 MDXICEWBISFASG-UHFFFAOYSA-N 406.942 5.892 0 40 HKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1c(F)c(F)c(F)c(F)c1F 17092124 QUDBTXSXBPJLBH-UHFFFAOYSA-N 420.362 5.911 0 40 HKAB Cc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(Cl)cc3)cc12 17135950 VIFKOXJFCUFGBF-UHFFFAOYSA-N 408.914 5.089 0 40 HKAB Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(Cc4cccs4)C[C@H]23)c1 19235245 FGKXJIWJOZRPKU-WXFUMESZSA-N 408.611 5.063 0 40 HKAB Cc1nc(COc2ccccc2/C=C/C(=O)N(C)[C@@H]2CCCc3ccccc32)cs1 21440424 OWDQDBAVPYHCSO-WOOPDLCSSA-N 418.562 5.580 0 40 HKAB Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)Nc2cccc(C)c2C)n1 21524702 JFIFJBQPCCUIKU-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@H](NCc1ccc(N2CCCC2=O)cc1)c1ccccc1 23967984 CKLXTFCOXBHQLI-AREMUKBSSA-N 423.516 5.009 0 40 HKAB COc1ccc([C@H]2CCCCCN2C(=O)CCCc2nc3ccccc3s2)cc1 24392358 CJLIEYNQBDTLJY-OAQYLSRUSA-N 408.567 5.772 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1Cc1ncc(-c2ccccc2)o1 26457569 KBFGWSJILXNMLQ-SFHVURJKSA-N 416.308 5.252 0 40 HKAB CS/C(Nc1ccccc1)=C1/C(c2ccccc2)=C(C)[n+]2c1n(C)c1ccccc12 26919512 LPNMMWKHYGMKJH-UHFFFAOYSA-O 410.566 6.011 0 40 HKAB CSc1ncc(Cl)c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)n1 29601171 FPJPTYVRIGQNJY-UHFFFAOYSA-N 420.991 5.029 0 40 HKAB OC1=Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccccc2)n1C1CCCCC1 32097151 IGMAIRKWPBPFOK-NRFANRHFSA-N 418.566 6.145 0 40 HKAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)CCC1CCCCC1 32609859 RWPNISRHULQCHR-UHFFFAOYSA-N 423.479 5.854 0 40 HKAB C[C@@H](SCc1csc(-c2ccsc2)n1)C(=O)NCc1ccccc1Cl 32779134 WGHMFMPRIXRYFV-GFCCVEGCSA-N 409.001 5.463 0 40 HKAB Cc1nc(CSc2ccccc2C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)no1 32905842 ZHPDKPQAMLTCBA-LLVKDONJSA-N 422.337 5.468 0 40 HKAB CC(C)(C)N1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=S 35039216 WAGZGCJPYPFZDW-LDADJPATSA-N 417.983 5.919 0 40 HKAB O=C(Nc1cccc2ccccc12)C1CCN(Cc2ccc(Br)cc2)CC1 38834077 GPQAKWFBADOQNF-UHFFFAOYSA-N 423.354 5.453 0 40 HKAB Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@H](CC(C)C)c3ccccc3)C2)c1 40150851 WINPPBRWXWFDHA-FYYLOGMGSA-N 407.558 5.143 0 40 HKAB COc1ccc(Cl)cc1NC(=O)CSc1ncccc1-c1nc2ccccc2[nH]1 44213345 AGNYEDQDYCSOSX-UHFFFAOYSA-N 424.913 5.018 0 40 HKAB CCC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccc(OCc2ccccc2)cc1 49947094 DBMJMIKOIWEDCE-UHFFFAOYSA-N 423.622 6.668 0 40 HKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 57315987 QYESARUNZREFMO-UHFFFAOYSA-N 424.294 6.145 0 40 HKAB O=C(c1ccc2ncccc2c1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72356479 PVSHLHRVQFAADS-OAQYLSRUSA-N 411.480 5.456 0 40 HKAB O=C(c1ccccn1)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72357850 LEFHLSSHMHBCDI-OAQYLSRUSA-N 411.427 5.064 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Oc1ccc2c(c1)CCC(=O)N2 84019801 FQHXGXWMCYVPBG-UHFFFAOYSA-N 417.248 5.061 0 40 HKAB O=C(CCc1ccccc1Br)N(CCc1cccs1)Cc1ccoc1 96120672 PKRAUUHCMYYAIJ-UHFFFAOYSA-N 418.356 5.308 0 40 HKAB C[C@H](NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)[C@H]1C[C@@H]2CC[C@@H]1C2 101988764 KGHGLAFUBMLMDN-TWRVUUBYSA-N 405.478 6.706 0 40 HKAB CCOC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118927580 VIBBLWWRIXYIGT-GERSHNARSA-N 402.619 6.194 0 40 HKAB Cc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)CC(C)(C)O2 222731791 KOFBSQOJZYYGCD-GOSISDBHSA-N 424.393 5.954 0 40 HKAB CCCCc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 223723243 SOQPBRDCNJWXSF-QJOMJCCJSA-N 418.562 5.809 0 40 HKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 223779624 IKBRSRRYNJNNGX-DHIUTWEWSA-N 418.566 5.184 0 40 HKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCSc1ccccc1 224114949 CQDWRHBHJOEWRU-QHCPKHFHSA-N 424.610 5.035 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1cc(C)cc(C)c1C 224284709 JPKSSCBPATVQQC-LJQANCHMSA-N 421.512 5.830 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(CN2CCc3ccccc32)cc1 224337152 DLFSUWZIZJCKKW-UHFFFAOYSA-N 418.496 6.401 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccc(Cl)cc1 224497142 MQCOZSGWBYFCAP-QGZVFWFLSA-N 409.913 5.809 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccc(OC)cc1 224596358 WUKDAVMHNYFGCJ-SFHVURJKSA-N 405.494 5.164 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCC2)cc1COc1cccc2ccccc12 224628429 GFRPCHHDXGHUJZ-UHFFFAOYSA-N 417.549 6.270 0 40 HKAB CC(C)(C)c1ccc(O[C@@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)O)cc1 225133650 YFYUKQVXZGVITH-QHCPKHFHSA-N 424.924 6.505 0 40 HKAB CCCn1c(SCc2cc(C)ccc2C)nc2c(-c3ccccc3)c[nH]c2c1=O 225545813 URTMUJWHRHLDMI-UHFFFAOYSA-N 403.551 5.711 0 40 HKAB Nc1nnc(/C=C/c2ccc(OCc3cccc4ccccc34)c(Br)c2)o1 226337981 KBLOKYWCKVLBNF-PKNBQFBNSA-N 422.282 5.317 0 40 HKAB COc1c(C(=O)Nc2cc(Cl)c(C)cc2N)cc2ccccc2c1Br 226347599 PVGFIFRQMMCYKP-UHFFFAOYSA-N 419.706 5.407 0 40 HKAB O=C(O)Cc1sc(Nc2cccc(Cl)c2Cl)nc1-c1ccc(Cl)cc1 408886165 IOKAWIYGADAULM-UHFFFAOYSA-N 413.713 6.141 0 40 HKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 409101734 QVHHSJOGBHJKAL-UHFFFAOYSA-N 419.981 6.366 0 40 HKAB O=C(O)c1ccc(-n2cccc2/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409191515 XZJNLNGSLPRFQF-LDADJPATSA-N 424.865 5.070 0 40 HKAB Cc1ccc([C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 792919 VFDHDLWJAYZFPS-AWEZNQCLSA-N 413.153 5.038 0 40 HKAB Nc1c(C(=O)Nc2cc(Cl)ccc2Cl)sc2nc(-c3ccncc3)ccc12 803937 KSTDOMUUPQPTOT-UHFFFAOYSA-N 415.305 5.500 0 40 HKAB CSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc(Cl)cc3)o1)Nc1ccccc1-2 822563 POQDMILISXOHOB-IBGZPJMESA-N 422.897 5.677 0 40 HKAB Cc1cccc(C2=NCC(=O)N(Cc3ccc(F)cc3)c3sc4c(c32)CCC4)c1 930368 XGKPAUVIEGYSSV-UHFFFAOYSA-N 404.510 5.069 0 40 HKAB O=C(Oc1ccc(Cl)cc1Cl)c1cc2cc(Br)ccc2oc1=O 944932 HHNFMPCOTDEDDU-UHFFFAOYSA-N 414.038 5.082 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)c3ccc(Cl)cc3)cc12 2267492 ZYIHWENERZCUPZ-UHFFFAOYSA-N 420.848 6.149 0 40 HKAB biogenic Cc1cc(C)cc(NC(=O)c2c(N)n(Cc3ccccc3)c3nc4ccccc4nc23)c1 2334422 ACWDRYLYMAPKMP-UHFFFAOYSA-N 421.504 5.084 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(c1nc(C)c(C)s1)C3=O 2440076 UHKXPEJICWFQDU-LJQANCHMSA-N 420.465 5.064 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(COc2ccc(Cl)cc2)cc1 2754407 UPKCMYKBCVGQJQ-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB CCOP(=O)(OCC)c1nc(-c2cccc3ccccc23)oc1N1CCCCC1 2908157 ZWYDNBBNRRWODW-UHFFFAOYSA-N 414.442 5.377 0 40 HKAB CC(C)N(Cn1nc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=S)C(C)C 3221940 MGVGBIUPIFRESC-UHFFFAOYSA-N 401.967 5.195 0 40 HKAB COc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1Cl 3325272 MAYVKOWCUMNBPB-UHFFFAOYSA-N 424.884 5.138 0 40 HKAB CC(C)CN(C(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2s1 3345902 YJRZTLWAOUGMSA-UHFFFAOYSA-N 400.547 6.117 0 40 HKAB C[C@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(C(=O)c2ccc(F)cc2)n1 4060647 IBYVVARXSXCRIE-INIZCTEOSA-N 404.416 5.657 0 40 HKAB CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCC(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 4081527 YDDVOKKQEBUWJE-COTKZVBDSA-N 414.630 6.502 0 40 HKAB biogenic Cc1oc2c(C)c3oc(=O)c(CCC(=O)NC4CC4)c(C)c3cc2c1-c1ccccc1 4089976 RISWZYFAGVAJGR-UHFFFAOYSA-N 415.489 5.343 0 40 HKAB biogenic COc1ccccc1OCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 4599989 GKXLRJBJLPRWCB-UHFFFAOYSA-N 402.519 5.923 0 40 HKAB Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(CC(C)C)on1 4881275 XBXPQKCYCQFVCK-UHFFFAOYSA-N 421.328 5.294 0 40 HKAB CCc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1 5165454 SHVWXTQINSCTGH-UHFFFAOYSA-N 400.503 6.417 0 40 HKAB COc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccccc3Cl)sc2c1 5265105 CYFCLTHCCNURNT-UHFFFAOYSA-N 409.898 5.200 0 40 HKAB CCc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN32)cc1 5277740 AZUWZPOJYMRUBV-BKMJKUGQSA-N 414.505 5.509 0 40 HKAB CCC(=O)Nc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 5614558 CPDFXJLAXRHZLD-UHFFFAOYSA-N 403.265 5.854 0 40 HKAB CCn1c(S[C@@H](C)C(=O)c2cc(C)c(C)cc2C)nnc1-c1ccccc1OC 6541532 JMOSFILGCSEMDO-KRWDZBQOSA-N 409.555 5.262 0 40 HKAB CCN(C(=O)Nc1cc(Cl)ccc1OC)c1nc(-c2ccc(C)cc2)cs1 6826662 YFADZSWALUMMRN-UHFFFAOYSA-N 401.919 5.839 0 40 HKAB Clc1cccc(-c2noc(CSc3nnc(C4CC4)n3-c3ccccc3)n2)c1 6976289 KSFYNOMRGAYLFI-UHFFFAOYSA-N 409.902 5.140 0 40 HKAB Cc1nc(-c2ccc(NC(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)cc2)cs1 7438393 GPVGXGRYKAODOX-GOSISDBHSA-N 420.538 5.001 0 40 HKAB O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1cccc(F)c1 7578880 XNXRYEWXTQUIPK-UHFFFAOYSA-N 415.921 5.828 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)cc2)cc1 7928263 LMYTWSLBTZTGCM-QGZVFWFLSA-N 420.896 5.432 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 7987928 WMQGMCKFYCFPLL-AWEZNQCLSA-N 400.478 5.122 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(OCc2cscn2)cc1 8280194 QJWVMYMIBRBWIG-UHFFFAOYSA-N 400.503 5.242 0 40 HKAB CCOC(=O)c1cccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1 8383065 IYMVRLXOWKXWLR-UHFFFAOYSA-N 407.853 5.000 0 40 HKAB Cc1ccc(-c2csc(Cc3nc(-c4ccc5c(c4)NC(=O)CO5)cs3)n2)cc1 8745520 WXWVQJUTCDYYDV-UHFFFAOYSA-N 419.531 5.164 0 40 HKAB CCCOc1ccc(-c2nc(Nc3ccc(Cl)cc3Cl)c3ccccc3n2)cc1 8837576 PKWQUTQPDLGMGA-UHFFFAOYSA-N 424.331 7.136 0 40 HKAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 8844267 MVSPILBGBFHXGP-SECBINFHSA-N 404.319 5.254 0 40 HKAB CC(=O)[C@H](Sc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1)c1ccccc1 8943355 KYDFZKZEICCUQF-FQEVSTJZSA-N 420.559 5.486 0 40 HKAB O=C(Nc1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2)c1ccc(F)c(F)c1 9135295 YZHQZQSJRHWSJH-UHFFFAOYSA-N 400.768 5.229 0 40 HKAB Fc1ccccc1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 9292397 SYBBVXWKLQAOTA-CTNGQTDRSA-N 422.301 6.084 0 40 HKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CC2CCCCC2)cc1 9413777 XCNDUQMFUYTGPF-UHFFFAOYSA-N 406.482 5.603 0 40 HKAB CCC(=O)Nc1cccc(/N=c2\ssc3c2-c2cc(C)c(C)cc2NC3(C)C)c1 12436889 UTRKOMGJUIMFRW-LVWGJNHUSA-N 423.607 6.335 0 40 HKAB C[C@H](NC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1nc2ccccc2n1C(F)F 12535718 LMEIXNFWUHXPLD-QWHCGFSZSA-N 406.864 5.548 0 40 HKAB O=C(CSc1nc2ccccc2o1)N1CCCC[C@H]1c1nc2ccccc2s1 12864907 HZBMZRYVCCMAGB-INIZCTEOSA-N 409.536 5.283 0 40 HKAB Cc1ccc(N2CCN(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)C[C@@H]2C)cc1 13320558 VHLKTDMRTONXKH-AWEZNQCLSA-N 411.855 5.410 0 40 HKAB Nc1cccc(S[C@H]2CC(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)c1 13576169 SFFBEHOYCJMNKK-FQEVSTJZSA-N 424.909 5.139 0 40 HKAB Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cc12 13987659 KPYBKBBNZGAWDN-UHFFFAOYSA-N 411.527 5.356 0 40 HKAB C[C@H](Nc1cccc(C2SCCS2)c1)C(=O)Nc1ccc(Br)cc1 15500398 NOPWLLDHCQEMKV-LBPRGKRZSA-N 423.401 5.367 0 40 HKAB CCc1ccc(/N=c2\scc(-c3cc4ccccc4o3)n2C[C@@H]2CCCO2)cc1 15912191 RRUWYRRYPLXAJD-NJGFXUCASA-N 404.535 5.937 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)ccc1Cl 17087624 MQUJNDJMXSMTOA-UHFFFAOYSA-N 407.341 5.556 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1nccs1 17093795 HVXUQEGWHRPJBP-ZZXKWVIFSA-N 424.334 5.236 0 40 HKAB Cc1ccccc1Nc1nc(NCCCOC(C)C)nc2c1cnn2-c1ccccc1 17136025 QUZJDSUDMCVXKB-UHFFFAOYSA-N 416.529 5.095 0 40 HKAB Cc1cc(OCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)ccc1Cl 27746921 IMIYYAOEBDXNLU-OAQYLSRUSA-N 418.924 5.457 0 40 HKAB CC[C@H](C(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@H]1c1ccccc1)c1ccccc1 28047910 MZJSCDHBBLGBHP-GBXCKJPGSA-N 418.924 5.404 0 40 HKAB O=C(c1ccco1)N(Cc1ccc(OCc2ccc(F)cc2)cc1)c1ccccn1 28292979 XLARZDDJOMXSFC-UHFFFAOYSA-N 402.425 5.240 0 40 HKAB Cc1cccc(NC(=O)N(CCCn2ccnc2)Cc2c(F)cccc2Cl)c1 32735888 INBINUZNKWLQEI-UHFFFAOYSA-N 400.885 5.108 0 40 HKAB Cc1ccc2cc(CN(Cc3cccnc3)C(=O)c3ccccc3)c(Cl)nc2c1C 35311770 INSJMSCLSFATGH-UHFFFAOYSA-N 415.924 5.743 0 40 HKAB NC(=O)Nc1ccc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)cc1 40042899 OXBOXCUXJRTJKG-UHFFFAOYSA-N 414.490 5.220 0 40 HKAB Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@H](CC(C)C)c3ccccc3)C2)c1 40150850 WINPPBRWXWFDHA-JTHBVZDNSA-N 407.558 5.143 0 40 HKAB Cc1ccc([C@H](C)NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 57486764 OIWDPUXUKFCAPT-INIZCTEOSA-N 420.900 5.044 0 40 HKAB Cc1cc(Oc2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc(C2CCNCC2)n1 57775398 FTZWVFRXNYQBPK-UHFFFAOYSA-N 420.488 5.432 0 40 HKAB Cc1ccc(NC(=O)CSc2cc(C)nc(-c3ccc(F)cc3)n2)c(Cl)c1 67257165 KCQGZQOGDHLNOF-UHFFFAOYSA-N 401.894 5.284 0 40 HKAB Cc1cc(SCC(=O)Nc2ccc(C)c(Cl)c2)nc(-c2cccc(F)c2)n1 67257280 RNSJCOMBEDMQMC-UHFFFAOYSA-N 401.894 5.284 0 40 HKAB CC[C@H](NC(=O)c1ccccc1)c1nc(-c2cccc(Br)c2)cs1 72289887 UCUDHVBGWRBIPU-INIZCTEOSA-N 401.329 5.454 0 40 HKAB CCCc1cc(C(=O)N2CCCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)no1 72370035 VMOMDUDJVJSAHA-HSZRJFAPSA-N 407.489 5.504 0 40 HKAB CCN(Cc1cccc(Cl)c1)C(=O)c1sc2ccccc2c1C[S@](C)=O 84777516 CUMNSWIEHTUFTB-AREMUKBSSA-N 405.972 5.096 0 40 HKAB CCOc1ccc2nc(SCC(=O)N(c3ccccc3)c3ccccc3)[nH]c2c1 95471941 XWNWPLYMVMYNDO-UHFFFAOYSA-N 403.507 5.419 0 40 HKAB Cc1noc2c1[C@H](c1ccc(O)cc1)C1=C(O)C[C@H](c3ccc(Cl)cc3)CC1=N2 102726482 CZKNMTLOUFCOHR-VFNWGFHPSA-N 406.869 5.950 0 40 HKAB CCCCC[C@@H](C)N1CC(O)=C(c2nc(-c3ccc(OC)c(OC)c3)cs2)C1=N 102731706 KAYRIRWMJBNMAZ-CQSZACIVSA-N 415.559 5.358 0 40 HKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(O)c(OC)c1 102788856 HTYLMSMBCYJDMK-XMMPIXPASA-N 420.509 5.603 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)[C@@]3(C)C[C@H]4C=C[C@H]3C4)cc2)c1C 112250534 HENKUIQLTDPPJX-KHOMTPLRSA-N 420.557 5.093 0 40 HKAB Cc1ccc(CCCNC(=O)COc2ccc(C(C)C)cc2Br)cc1 218874971 WXFVYLJGZPXHFP-UHFFFAOYSA-N 404.348 5.009 0 40 HKAB CC(C)CCN1c2ccc(Cl)cc2C(Cc2ccccc2)(Cc2ccccc2)[C@@H]1C 223730080 ISRXAEXOCDAUBF-QFIPXVFZSA-N 418.024 7.318 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccc(C)c(C)c1 224297415 VBJASXHICQSXFB-SFHVURJKSA-N 407.485 5.521 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1ccc(C)cc1 224466289 MHUJWOVCGVFAMX-UHFFFAOYSA-N 411.501 6.378 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1cc(C)cc(C)c1C 224606864 ZASFPJHVDFOHCC-UHFFFAOYSA-N 417.549 5.828 0 40 HKAB CCOCc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1OCC 224695712 STKWUHIFVCSCOK-UHFFFAOYSA-N 402.705 5.834 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COCC(C)C 224736964 HRDOYIOAUAXCFC-UHFFFAOYSA-N 406.320 5.273 0 40 HKAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)NC1CCCCCCC1 224890941 DCXQUJRGQGDMBR-UHFFFAOYSA-N 405.336 5.266 0 40 HKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224994870 VIFNDBDSWJWDAR-LEWJYISDSA-N 422.613 5.249 0 40 HKAB CCCC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 225290643 LFCHLDWJZKMKNM-RUZDIDTESA-N 420.597 5.184 0 40 HKAB COCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1Cl 225560596 PXYCGAHGDJNVRB-UHFFFAOYSA-N 417.933 5.214 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NCCCc2cccc3ccccc23)c(C)c1 225809110 JCERMYPWNCVWTJ-UHFFFAOYSA-N 406.551 5.244 0 40 HKAB FC(F)(F)c1cccc(C2(NC(=S)Nc3ccc4c(c3)OCCO4)CCCC2)c1 225857713 PNPVAGHTGNOBLS-UHFFFAOYSA-N 422.472 5.233 0 40 HKAB COC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)nc2ccc(Br)cc12 226360598 AILSIWUPYLHUSD-UHFFFAOYSA-N 418.290 5.703 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2C(=O)[C@H](C)Cn2ccc(C)n2)n1 257314283 UWFCGBMIOTVUKT-MZNJEOGPSA-N 420.532 5.091 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccccc1)[C@@H](O)c1ccccc1F 257364942 TYKDNJRHRFRXDI-DVPXBMHHSA-N 404.462 5.898 0 40 HKAB C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 260917316 CYOSFXFDJUIMNR-JPYJTQIMSA-N 410.989 5.308 0 40 HKAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cccc(Cl)c1Cl 408666185 GOWLPRZZXBRJLK-UHFFFAOYSA-N 416.260 5.581 0 40 HKAB CC(C)(C)c1ccc(C(=O)Sc2nnc(-c3ccc(Br)cc3)o2)cc1 408691612 ILHSTPIROZQIKA-UHFFFAOYSA-N 417.328 5.729 0 40 HKAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1cccc2ccccc12 408814881 GQJMCUUWRDAVNO-HMAPJEAMSA-N 419.502 5.484 0 40 HKAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OC 408903230 WAXLTBRSBGZTAI-RNEAKCBISA-N 417.914 5.767 0 40 HKAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 409016152 DDDLMEFQXHIVPG-UHFFFAOYSA-N 414.505 5.278 0 40 HKAB O=C(Nc1cc(C23CC4CC(CC(C4)C2)C3)ccc1Br)c1ccccc1 409063540 MGVYVHLYVSCJHV-UHFFFAOYSA-N 410.355 6.169 0 40 HKAB COCCCN1C(=O)S/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C1=O 409231812 MJSJTLCZZTUYRD-HYARGMPZSA-N 420.534 5.071 0 40 HKAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)Nc1cccc2ccccc12 409358842 LQVWRDYQKFQPFK-XDHOZWIPSA-N 422.893 5.168 0 40 HKAB Cc1ccc(-c2cc(-c3cccc(F)c3)n(Cc3ccccc3)n2)c(OCC(=O)O)c1 585264766 LPGMKZSTWZMBPM-UHFFFAOYSA-N 416.452 5.176 0 40 HKAB C[N+]1=C(/C=C/C=C2\C=C(c3ccccc3)c3ccccc3S2)C(C)(C)c2ccccc21 685944637 YLYKKTXRHUQXLU-YIYJPIFJSA-N 420.601 7.370 0 40 HKAB CC(C)NC(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2c1N 658900 ISUKRICNNLMXNK-UHFFFAOYSA-N 411.527 5.551 0 40 HKAB CC[C@H]1CCc2nc3sc(C(=O)Nc4cccc(C(F)(F)F)c4)c(N)c3cc2C1 661863 VEPNNMBVLNICDL-NSHDSACASA-N 419.472 5.665 0 40 HKAB CC[C@H](C)OC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 957150 WNSAZBBRNSHFBI-UONOGXRCSA-N 416.857 5.348 0 40 HKAB Cc1cc(C)cc(Oc2coc3cc(OCc4cccc(Cl)c4)ccc3c2=O)c1 1768237 VPIGBCQIDUHJCE-UHFFFAOYSA-N 406.865 6.435 0 40 HKAB CSc1nc(N)c2c3c(sc2n1)[C@@H](c1ccccc1)S[C@H](c1ccccc1)C3 1825555 RVSPEKVTQIGLOB-FUHWJXTLSA-N 421.616 6.115 0 40 HKAB O=c1c(-c2ccc(Cl)cc2)coc2cc(OCc3ccc(F)cc3Cl)ccc12 2420951 HOZVOCGGDDOFKG-UHFFFAOYSA-N 415.247 6.485 0 40 HKAB biogenic CCCOC(=O)c1ccc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)cc1 2593449 NJEUTBOJPSDPDT-RMKNXTFCSA-N 408.281 5.221 0 40 HKAB CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(O)c(OC)c1)Nc1ccccc1-2 2742862 YIFNOKGSRADKHD-FQEVSTJZSA-N 424.526 5.038 0 40 HKAB CCc1c(C)sc2ncn3nc(-c4ccc(COc5ccc(OC)cc5)o4)nc3c12 2791159 OGFBEVSLUCWWBC-UHFFFAOYSA-N 420.494 5.057 0 40 HKAB CCc1nnc(NC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)s1 3235487 OHHSPXGSHLSAGE-UHFFFAOYSA-N 410.502 5.721 0 40 HKAB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccc(F)cc1 4071191 JWNGWKXSQWZKHN-UHFFFAOYSA-N 408.523 6.295 0 40 HKAB C[C@@H]1CCc2sc(NC(=O)c3cccc(Oc4ccccc4)c3)c(C(N)=O)c2C1 4177465 XNPFSFWWCXUOLG-CQSZACIVSA-N 406.507 5.016 0 40 HKAB CCCCCOc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 4194666 IIAJHCJGCSOMJL-UHFFFAOYSA-N 416.546 6.785 0 40 HKAB Cc1ccc(-c2csc(N(Cc3ccccc3)C(=O)c3ccccc3Cl)n2)cc1 4214807 DYCPPSIBFMQANM-UHFFFAOYSA-N 418.949 6.619 0 40 HKAB C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 4321296 BLKGOEBISCPGCY-IIBYNOLFSA-N 412.942 5.481 0 40 HKAB COc1ccc(/N=c2\ssc3c2-c2cc(C)c(C)cc2NC3(C)C)c(OC)c1 4571190 RQPYPFJWDUXGMV-LNVKXUELSA-N 412.580 6.004 0 40 HKAB CCOC(=O)c1nc(Nc2ccc(F)c(Cl)c2)c2c3c(sc2n1)CCCC3 5462343 QKEOWKODZYFHBH-UHFFFAOYSA-N 405.882 5.283 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1 5628225 PQGIWVLEWBFCEN-OAQYLSRUSA-N 403.507 5.434 0 40 HKAB CC(C)COc1ccc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2ccccc12 6326977 FRCVXECLYSYRGG-NLRVBDNBSA-N 419.524 7.094 0 40 HKAB CCOc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccccc32)cc1OCC 6601889 QDEVQRQBBLITIV-UHFFFAOYSA-N 403.457 5.057 0 40 HKAB Cc1cc(O[C@H](C)C(=O)N(Cc2ccc(F)cc2)Cc2ccco2)ccc1Cl 6747530 AIPLEDRNMWRMSH-MRXNPFEDSA-N 401.865 5.377 0 40 HKAB Cc1ccc(Cn2c(-c3ccc4c(c3)OCCO4)cs/c2=N\c2ccccc2)cc1 6841234 OEHLWNAMIQJKPF-QPLCGJKRSA-N 414.530 5.577 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CNc4ccc5c(c4)CCC5)[nH]c(=O)c23)cc1 7003801 PVMONBQMEZOZPT-UHFFFAOYSA-N 401.535 5.369 0 40 HKAB COc1ccc2cc(CN(C)[C@H](C)C(=O)Nc3ccc(F)cc3Cl)ccc2c1 7926703 QDMAPLQPQOBTTI-CQSZACIVSA-N 400.881 5.100 0 40 HKAB O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nn1-c1cccc(Cl)c1 7989870 HXYHJCDICJKPJJ-UHFFFAOYSA-N 402.064 5.851 0 40 HKAB COc1cccc(CN[C@@H](C)c2ccccc2)c1OCc1ccc(Cl)cc1Cl 8534278 PGAUJSPEOGTDTI-INIZCTEOSA-N 416.348 6.432 0 40 HKAB CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccc(C)cc2)cc1O 8740894 QMSXMZPEXCPYAU-UHFFFAOYSA-N 416.477 5.861 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1 8915945 JCONUUYEULGKTG-UHFFFAOYSA-N 421.909 5.583 0 40 HKAB Cc1ccc(-c2csc3ncnc(SCC(=O)N[C@H](C)c4ccccn4)c23)cc1 9118105 KBGQIKKXKUQJDA-OAHLLOKOSA-N 420.563 5.031 0 40 HKAB Fc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)ccc1Cl 9185423 UCJHIPRZLYIGIW-XXBNENTESA-N 422.843 5.450 0 40 HKAB CC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 9259302 KKKAEBJIVHBBQG-UHFFFAOYSA-N 402.494 5.503 0 40 HKAB CCCCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 9355437 FUSCPFQWIZHFTK-VWLOTQADSA-N 414.936 6.834 0 40 HKAB COc1ccc(-c2c/c(=N\c3ccccc3N)c3cc(Br)ccc3o2)cc1 9410265 UBIGEQYPHBUDMP-LKUDQCMESA-N 421.294 5.686 0 40 HKAB COc1cccc(C2=N/C(=C/c3cccc(OCc4ccccc4Cl)c3)C(=O)O2)c1 9434872 JGFIAZUFXNQZAU-LPYMAVHISA-N 419.864 5.272 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccccc2Cl)c1 9613354 RRYWDEZUJNFAQQ-UHFFFAOYSA-N 418.802 5.863 0 40 HKAB O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)c1cc(Cl)ccc1Cl 11617415 QKSSAOLDRVWDNQ-UHFFFAOYSA-N 419.120 6.071 0 40 HKAB COc1ccc(OC)c([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccs4)=NN23)c1 12196842 JRXOJSUKFBQUBH-JPYJTQIMSA-N 422.506 5.016 0 40 HKAB CCCOc1ccc(-c2csc(NC(=O)Cc3ccc4ccccc4c3)n2)cc1 12621339 BACROBRIZFFLKH-UHFFFAOYSA-N 402.519 5.933 0 40 HKAB Cc1nc(-c2ccc(CCNC(=O)c3cc(C)n(Cc4ccco4)c3C)cc2)cs1 12788333 OCNWCBNSAKBCLZ-UHFFFAOYSA-N 419.550 5.151 0 40 HKAB CC(C)[C@@H](NC(=O)N(C)Cc1cccc(Cl)c1)c1ccc2c(c1)OCCCO2 12802073 RLPUBPJYHOJQQF-OAQYLSRUSA-N 402.922 5.040 0 40 HKAB COc1ccc(NC(C)=O)cc1NC(=O)C1(c2cccc(Cl)c2)CCCCC1 12821152 ATRYBHDAHOAKTG-UHFFFAOYSA-N 400.906 5.148 0 40 HKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cc(C)ccc2OC)cc1 13002263 PWDJOKBRFCVNRV-UHFFFAOYSA-N 414.505 5.732 0 40 HKAB O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccc(Br)cc1 13284036 JJRDTDKWRZHVJR-UHFFFAOYSA-N 422.735 5.019 0 40 HKAB Fc1cccc(-c2nnc([C@H](Nc3ccc(F)cc3F)c3ccc(Cl)cc3)o2)c1 13364455 PPQQQGHYIHMJBW-LJQANCHMSA-N 415.802 6.009 0 40 HKAB CC[C@H](C)C(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccco2)c2ccccc21 13592692 NRNRYUUUBITFNB-YCRNBWNJSA-N 416.521 5.839 0 40 HKAB CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1OCC 15016179 CUEKYCIBMIWGAQ-NTKDMRAZSA-N 420.534 5.788 0 40 HKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)c(Br)c2)N3)C1 15945435 NUIBQEYNEPGFHC-BTDLBPIBSA-N 421.360 5.463 0 40 HKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(Br)cc1 16227046 WBJPCGYGJNTKIO-UHFFFAOYSA-N 423.266 5.518 0 40 HKAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(Br)c1 17083319 JZYQOWPVTZFXNA-UHFFFAOYSA-N 406.283 5.553 0 40 HKAB Cc1ccc(-n2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)cc1Cl 17090207 ZSFWASRAJPMISI-UHFFFAOYSA-N 415.270 7.100 0 40 HKAB COc1ccc(/C=C(/C(=O)NCc2ccccc2-n2ccnc2C)c2ccccc2)cc1 20040438 KNYSHRBWNMPQCU-XIEYBQDHSA-N 423.516 5.046 0 40 HKAB NC(=O)CCN(C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 24969795 KZVKPKSLPLSDST-UHFFFAOYSA-N 424.953 5.155 0 40 HKAB O=C(O[C@@]1(c2nccc3ccccc23)CCCN(Cc2ccccc2)C1)c1ccccc1 31750136 WJRVMNZDYSDDGO-NDEPHWFRSA-N 422.528 5.583 0 40 HKAB Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NCc1ccc(C(=O)O)cc1 32072355 IKACEBCOINEWEX-UHFFFAOYSA-N 421.305 5.054 0 40 HKAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 32116800 XUGWVKSBQMMAIZ-SFHVURJKSA-N 414.505 6.541 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1Cl 32126737 RIRXBRZLEGIEJI-UHFFFAOYSA-N 422.120 6.171 0 40 HKAB C[C@@H](NC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccc(-n2ccnc2)cc1 32794945 PSQYHWNODNSAKG-ZHRRBRCNSA-N 420.513 5.223 0 40 HKAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 32802907 RQMRHUPZMCKPDN-OLZOCXBDSA-N 423.460 5.477 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 33699293 TVCMCBIMYFVTLZ-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB Cc1ccc2nc(-c3cccc(O)c3)c(Nc3ccc(C)c(Br)c3)n2c1 35616453 CNMTXVTVLCOPQZ-UHFFFAOYSA-N 408.299 5.830 0 40 HKAB CCc1ccc(C(=O)CSc2nc(-c3ccc(Br)cc3)no2)cc1 35682849 UJBBOMVMFVVXRO-UHFFFAOYSA-N 403.301 5.037 0 40 HKAB O=C(Nc1cccc2ccccc12)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38834074 IBCGAHJDDGNHCT-UHFFFAOYSA-N 413.348 5.997 0 40 HKAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cc(C(F)(F)F)ccc1Cl 41001964 CLIAERNKWAEINU-UHFFFAOYSA-N 413.758 5.119 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 41091606 GTECSMMQCXRMAC-UHFFFAOYSA-N 410.473 5.661 0 40 HKAB O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1ccc(F)c(F)c1 46022495 KXVPZGOBVZKXKO-UHFFFAOYSA-N 419.522 5.260 0 40 HKAB Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1Cl 48342672 FJLUTKYMDZJQGK-UHFFFAOYSA-N 401.702 6.232 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)C(Cl)(Cl)Cl 59144047 WVSNVHZFZRLGMZ-UHFFFAOYSA-N 424.498 6.110 0 40 HKAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 59433423 MGHRHDBICUBGPV-QDBPJBAASA-N 407.513 5.264 0 40 HKAB COc1ccc(OC)c(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)c1 63451241 SKOKBNZOVZVICP-UHFFFAOYSA-N 418.424 5.417 0 40 HKAB Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H]1CCC(C)(C)c2ccccc21 65605789 FDAOMMYUWSTALK-NRFANRHFSA-N 421.566 5.521 0 40 HKAB FC(F)(F)Oc1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)cc1 71761639 VMESXIVONCBGJH-UHFFFAOYSA-N 418.440 5.973 0 40 HKAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72214976 DZKFDPDPUUGDMF-GOSISDBHSA-N 419.566 5.695 0 40 HKAB Brc1ccccc1-c1nnc(CN2CCC[C@H]2CC2CCCCC2)o1 84514882 NBLSVFLNVPYIJK-INIZCTEOSA-N 404.352 5.434 0 40 HKAB Cc1ccc2c(-c3cc4c(CN5CCSCC5)cnc(C)c4o3)cc(=O)oc2c1C 95474718 FEDKQZMYCUPJAS-UHFFFAOYSA-N 420.534 5.075 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(Cc2ccccc2Cl)CC1 96625873 RVIYZASTHJKNSR-UHFFFAOYSA-N 411.977 5.181 0 40 HKAB COc1cccc(-c2cc(C(F)(F)F)nc(N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)n2)c1 101246249 TVGVACZMYUWTHM-VFNWGFHPSA-N 405.464 5.576 0 40 HKAB Cc1ccc(/N=c2/scc(-c3ccccc3)n2CCc2c[nH]c3ccccc23)cc1 101379473 WQRVLOFWSHBZIF-BYCLXTJYSA-N 409.558 6.481 0 40 HKAB CCCCO[C@]12N=C(N)S[C@@H]1C[C@H]1[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C 122807938 RSIJHRRFYQHUQH-BLFIMETGSA-N 404.664 5.972 0 40 HKAB CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 216459813 DXYDBEQPIKHCQW-SFHVURJKSA-N 407.485 5.051 0 40 HKAB CC(C)Oc1cccc(CCCNC(=O)CC(c2ccccc2)c2ccccc2)c1 219128657 AWMWFOYFPZUWSS-UHFFFAOYSA-N 401.550 5.745 0 40 HKAB Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 219846633 VTAQPVFLWJYIPL-GOSISDBHSA-N 409.913 5.425 0 40 HKAB O=C(c1cc2cc3ccccc3nc2s1)N(Cc1ccccc1)Cc1ccccc1 223132130 LVNJVPKBUSLNMU-UHFFFAOYSA-N 408.526 6.292 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3c(C)cccc3C(C)C)c2)cc1 223955795 QQIQYACBOQOFMB-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB COc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1ccccc1OC 224240592 DFUCQJFRSGQOIV-UHFFFAOYSA-N 413.473 5.688 0 40 HKAB Cc1cccc(CN(C(=O)Cc2cc(C)ccc2C)[C@@H](C)C(=O)NC2CCCCC2)c1 224725956 HNRFIQHMRMUFQU-QFIPXVFZSA-N 420.597 5.021 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)CCCSc2ccc(Cl)cc2)c2ccccc2O1 225093737 RCLKAMUBDXKNOW-HXUWFJFHSA-N 418.002 6.411 0 40 HKAB O=C(CCc1cccc(Cl)c1)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 225616370 KVSLRXYGMBAPFC-UHFFFAOYSA-N 424.953 5.171 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CCCCC2)ccc1OC 225765390 MNIRPFQCUGYEAW-UHFFFAOYSA-N 415.917 5.366 0 40 HKAB CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)c2ccccc12 225920312 ZORANNLVTSVVEZ-UHFFFAOYSA-N 409.457 5.068 0 40 HKAB O=C1c2ccccc2CN1c1ccc2nc(-c3ccc(Br)cc3)oc2c1 226287036 KMCPXECYASQLJG-UHFFFAOYSA-N 405.251 5.418 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ccccc2Oc2ccccc2)c(OC)c1OC 408565237 JBXSNPLQLZZULT-JQIJEIRASA-N 405.450 5.157 0 40 HKAB Cc1ccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)cc1Cl 408674771 CIZPBFUWZZIFBO-UHFFFAOYSA-N 406.844 5.529 0 40 HKAB O=C(NCc1ccccc1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 408692498 NUVUHMUREPDTFL-UHFFFAOYSA-N 423.303 5.171 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(F)cc2)c1 408700243 ZYSUNNNYVIQQGV-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB CN(C)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 408978873 OAROPAQKZBFQAC-UHFFFAOYSA-N 424.460 5.468 0 40 HKAB Cc1ccc(COc2ccccc2/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1 409092079 STESNUCMHHULGR-JWGURIENSA-N 420.578 5.307 0 40 HKAB CN(Cc1ccccc1)C(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409112787 DATILWJQUJZDMO-VHFNBEQNSA-N 422.572 6.255 0 40 HKAB Cc1cccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)c1 409115629 SNLUUMWEYDJBHL-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CCC(=O)OC(c1ccccc1)c1ccccc1 409181402 CJXNDVFKFORTOK-UHFFFAOYSA-N 407.897 5.700 0 40 HKAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)NC(c1ccccc1)c1ccccc1 585148121 LNVRTLUQIYCIEZ-HSZRJFAPSA-N 412.489 5.069 0 40 HKAB Clc1ccc(NCc2nn3c(-c4ccccc4Cl)cc4c3n2CCCC4)cc1 616575584 DYFXNOJJDDXRNF-UHFFFAOYSA-N 411.336 6.058 0 40 HKAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@H]1c1ccnc(-c2ccccc2)n1 2037835850 CAZFTMKVHXEILR-VWLOTQADSA-N 419.528 5.639 0 40 HKAB Cc1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1NC(=O)c1ccco1 803514 ZBKPYPUZZRHQQN-UHFFFAOYSA-N 400.887 5.225 0 40 HKAB C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 1238284 KWVISVAMQJWJSZ-JCUATARGSA-N 413.646 5.287 0 40 HKAB biogenic,in-man CC(=O)Nc1ccccc1S[C@@H](CC(=O)c1ccco1)c1ccc2c(c1)OCO2 1463269 YNUMZAUJPFCUSI-QFIPXVFZSA-N 409.463 5.073 0 40 HKAB Cc1ccc(SC2=C(Nc3ccccc3F)C(=O)N(Cc3ccccc3)C2=O)cc1 1810720 NOFPRMRFXZKFPU-UHFFFAOYSA-N 418.493 5.119 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCc1ccccc1-3 1898872 FRXKTVIVTVRBCF-UHFFFAOYSA-N 404.560 5.715 0 40 HKAB COc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)c2ccccc2Cl)cc1 1972302 KLEYXWPIYGGTHZ-UHFFFAOYSA-N 406.821 5.341 0 40 HKAB Cc1ccc(-n2c(SC(C)C)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)cc1 2254640 AQIIJNQDLCNVNV-UHFFFAOYSA-N 416.590 6.076 0 40 HKAB CC1=C[C@@H](C)C(COC(=O)Nc2ccccc2)(COC(=O)Nc2ccccc2)[C@@H](C)C1 2288842 MFOHDHYQLDNSFR-UXHICEINSA-N 422.525 6.092 0 40 HKAB CCN(CC)CCCNc1nc(-c2ccc(Cl)cc2)nc2sc3c(c12)CCC3 2662375 XUWOIBCWICMGSP-UHFFFAOYSA-N 415.006 5.644 0 40 HKAB CC1(C)c2ccccc2N(Cc2ccccc2)[C@@]12C=Nc1c(ccc3ccccc13)O2 3147068 YVYVCXOQZYPIOP-MUUNZHRXSA-N 404.513 6.629 0 40 HKAB c1ccc2c(c1)oc1c(NCCCCNc3ncnc4c3oc3ccccc34)ncnc12 3173163 JLJHRGVERWEOEH-UHFFFAOYSA-N 424.464 5.370 0 40 HKAB O=C(Oc1ccc(Br)cc1Cl)C(c1ccccc1)c1ccccc1 3360272 SNEDBXGFGSBHCF-UHFFFAOYSA-N 401.687 5.840 0 40 HKAB COc1cccc(/C=C(/C(=O)OCCCC(=O)c2ccc(F)cc2)c2ccccc2)c1 3405286 WWGMPGFOXJMKCS-HKOYGPOVSA-N 418.464 5.581 0 40 HKAB CN(C)[C@H](CNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccco1 3422978 XVLMFJKOECFLIO-HXUWFJFHSA-N 414.958 5.258 0 40 HKAB CCCc1cc(C(=O)Oc2ccc(NC(=O)c3ccccc3OC)cc2)sc1C 3451206 VGYWZNKRXVEJSI-UHFFFAOYSA-N 409.507 5.489 0 40 HKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(S[C@@H](C)C(C)=O)ncnc32)cc1 3658789 XLORYTPLNCWILW-KRWDZBQOSA-N 417.534 5.556 0 40 HKAB COc1ccc(C2=C[C@H](c3ccc(N(C)C)cc3)Sc3cc(OC)ccc3N2)cc1 3846940 RXQNMWIFHUHAEH-XMMPIXPASA-N 418.562 6.070 0 40 HKAB biogenic O=C(Cc1cccc2ccccc12)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 4070502 IUTMEXZGJZKKHY-UHFFFAOYSA-N 413.329 6.451 0 40 HKAB COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2C)cc1 4311990 JJMYDAQOASCMEI-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB COc1cc(OC)cc(C(=O)Oc2ccc3oc(=O)c(-c4ccccc4)c(C)c3c2)c1 4340802 ZSVYGDGAFJJBAR-UHFFFAOYSA-N 416.429 5.005 0 40 HKAB biogenic CCc1ccccc1NC(=O)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 4364757 AXLJFPDAZQOYMK-AKYHUDHOSA-N 422.572 6.798 0 40 HKAB COc1ccc([C@@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCCC2)cc1 4537312 IPHYIULARRFROB-QHCPKHFHSA-N 420.578 5.811 0 40 HKAB Cc1ccc(NC(=O)N2N=C3c4ccccc4CC[C@@H]3[C@@H]2c2ccc(Cl)cc2)cc1 4665070 KFMBHNXCGMDNGS-UPVQGACJSA-N 415.924 6.204 0 40 HKAB Cc1cccc(-c2nnc(N(C(=O)c3ccc(C(C)(C)C)cc3)C3CCCC3)s2)c1 4982474 FIQSQZHOOWUPOC-UHFFFAOYSA-N 419.594 6.400 0 40 HKAB O=C(O)c1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@H]2C=CC[C@H]21 7096143 PRSUSOZVJJAIGF-WZOHSFFVSA-N 413.542 6.504 0 40 HKAB O=C1O[C@@H](c2ccccc2)Cc2cc(C(=O)N3CC=C(c4ccccc4)CC3)ccc21 8312482 UBRWEXHHZLMQKF-RUZDIDTESA-N 409.485 5.070 0 40 HKAB Cc1ccc(-c2nn([C@@H](C)C(=O)c3ccc(Br)cc3)c(=S)o2)cc1 8550651 CWCGDTLOUWOMGY-LBPRGKRZSA-N 403.301 5.387 0 40 HKAB c1ccc(CNc2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CCCC4)cc1 9310962 TYEKSBLWOCOKTF-UHFFFAOYSA-N 422.557 6.397 0 40 HKAB COc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(Cl)s3)nc12 9829703 HRXIXKIIZPLZMK-UHFFFAOYSA-N 415.927 5.262 0 40 HKAB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OCc1ccc(OC)cc1 11867283 GLGYZDBKEBVULS-UHFFFAOYSA-N 407.491 5.375 0 40 HKAB Cc1c(C(=O)Nc2nc(-c3ccc(Br)cc3)ns2)oc2ccccc12 11914332 MARZFUWOGFZICO-UHFFFAOYSA-N 414.284 5.275 0 40 HKAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)C1 12600164 BTOINODYNDCPMZ-IYBDPMFKSA-N 423.354 5.782 0 40 HKAB O=C(OCc1cc(-c2ccc(Cl)c(Cl)c2)on1)c1cccc(C(F)(F)F)c1 12956687 NMYHIMMTROWXDI-UHFFFAOYSA-N 416.182 6.024 0 40 HKAB C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1c(F)cccc1Cl 13564218 RWYJGBVEFUSHPD-OAHLLOKOSA-N 407.876 5.368 0 40 HKAB Cc1c(-c2ccc(Cl)cc2)c(=O)oc2c3c(ccc12)OCN(Cc1ccco1)C3 13727852 YCEPKWZDVARXQY-UHFFFAOYSA-N 407.853 5.367 0 40 HKAB biogenic C[C@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1Cl)c1ccccc1 13999431 XHFCNKMIWYRORW-IWLLYFRBSA-N 404.897 5.483 0 40 HKAB CCc1ccc2c(CC(=O)Nc3ccc(NC(C)=O)cc3C(F)(F)F)coc2c1 14806818 PNRYNABNALZAEB-UHFFFAOYSA-N 404.388 5.154 0 40 HKAB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1C 15019446 BVUYKCCIDQUAAI-UHFFFAOYSA-N 417.456 5.510 0 40 HKAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(Cl)cc1Cl 15375523 IFLBPEOEZAOUDG-UHFFFAOYSA-N 418.349 5.261 0 40 HKAB O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S)Nc1ccc(Cl)cc1 16768587 PCOLBWUQQLUHGQ-UHFFFAOYSA-N 420.925 5.362 0 40 HKAB O=C(Nc1ccc(Br)cc1F)c1cccc2c(Br)cccc12 17093427 DLSVNAHSXSACJS-UHFFFAOYSA-N 423.079 5.756 0 40 HKAB COc1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1Cl 17093433 GRPDCRHXHAQGKU-UHFFFAOYSA-N 423.123 5.943 0 40 HKAB Cc1cc2occ(CC(=O)N3CCC[C@@H]3c3nnc(-c4ccsc4)o3)c2cc1C 19125418 OCVOSFCDXYLRMH-GOSISDBHSA-N 407.495 5.067 0 40 HKAB Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@H](c2ccco2)C3)cc1Cl 19817295 POLNCHCJWQGRHG-MRXNPFEDSA-N 417.896 6.083 0 40 HKAB Clc1ccccc1COc1ccc(-c2nn3c(-c4cccnc4)nnc3s2)cc1 19897301 UXOYOYBNEVMZJK-UHFFFAOYSA-N 419.897 5.147 0 40 HKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc(OCc2ccccc2)c1 20144968 SHBMQXCLNDIZME-UHFFFAOYSA-N 413.473 5.579 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(C)c(O)c(C(=O)O)c3)o2)cc1Cl 20145489 PWPURXJTLKLGSS-SOFGYWHQSA-N 411.841 5.273 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 20411067 VESBZNTYJBJQMC-BJMVGYQFSA-N 423.881 5.447 0 40 HKAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3cccc(Cl)c3Cl)sc2c1 20411740 JBJLGTKHAYPCDK-UHFFFAOYSA-N 409.294 5.421 0 40 HKAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1c(F)cccc1Cl 22907890 PKQGLTCNFSABPS-IBGZPJMESA-N 414.933 5.070 0 40 HKAB O=c1[nH]c(CSc2ccc3c(c2)OCCCO3)nc2sc(-c3ccccc3)cc12 25052891 FFRBCILEKDJEJS-UHFFFAOYSA-N 422.531 5.105 0 40 HKAB COc1ccc(-c2nc(CSc3nc(-c4ccccc4)c[nH]3)cs2)cc1OC 27660186 XUWNSITZDLDASG-UHFFFAOYSA-N 409.536 5.510 0 40 HKAB Cc1sc2nc(SC[C@H](O)c3ccccc3F)n(C3CCCC3)c(=O)c2c1C 31444122 FMZICJVTUUIMOR-KRWDZBQOSA-N 418.559 5.155 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1 32116449 SRUWGHSUMGGDNL-UHFFFAOYSA-N 423.266 5.524 0 40 HKAB COc1ccc(NC(=O)CSCc2csc(-c3ccsc3)n2)cc1Cl 32779127 LESGBEINUHMBRH-UHFFFAOYSA-N 410.973 5.406 0 40 HKAB CN(Cc1nc2ccccc2s1)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl 32927786 GEQFHATXYWJOAX-UHFFFAOYSA-N 421.758 5.077 0 40 HKAB CCOc1ccc(C2=NN3[C@H](c4ccc(C(C)C)cc4)Oc4ccccc4[C@H]3C2)cc1 36352194 QKQNMXXECUEYFO-VPUSJEBWSA-N 412.533 6.451 0 40 HKAB O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1ccc(Br)cc1 40301290 LKKPDMIVILEMEX-UHFFFAOYSA-N 420.310 5.028 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 57335625 GWSPXJLLYVMUSQ-UHFFFAOYSA-N 405.885 5.679 0 40 HKAB CN(C)c1ccc(-n2c(SCc3cccc(Cl)c3)nc3ccccc3c2=O)cc1 67259081 MNEZCVYXQIZLKU-UHFFFAOYSA-N 421.953 5.397 0 40 HKAB COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)cc1F 67259279 KCVOGENFGRYKCP-UHFFFAOYSA-N 424.472 5.024 0 40 HKAB Nc1cc(Cl)c(NC(=O)c2cc(Cl)ccc2Cl)cc1NC1CCCCC1 72229401 UTKFBIDPSUZDNJ-UHFFFAOYSA-N 412.748 6.226 0 40 HKAB Cc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccccc5)cn34)n2)cc1C 96038066 KVZMZUVBZSZWQM-UHFFFAOYSA-N 406.489 5.661 0 40 HKAB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@H]1c1ccccc1 100429300 WKLOLQJVZKVBMU-LYZGTLIUSA-N 422.528 6.647 0 40 HKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5cc(Cl)ccc5Cl)(C4)C2)C3)cc1 100482531 RKHGNDOZLYTNCV-WADIDORASA-N 414.376 6.779 0 40 HKAB CCCC(=O)Nc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 108030076 RSTPEZBLHSLKEF-UHFFFAOYSA-N 407.322 6.199 0 40 HKAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)n1 170569469 YSUHCPYPWHEBPM-UHFFFAOYSA-N 410.477 5.882 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(Cl)cc4)o3)N21 222711750 DAKZMLRQPQXEDW-MAODMQOUSA-N 409.942 5.974 0 40 HKAB O=C(CCCOc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 223103654 SMTXFQFBWWSCFP-UHFFFAOYSA-N 408.310 5.310 0 40 HKAB CCCC[C@@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 224402289 WNXPZKXRTGQLDS-MRXNPFEDSA-N 422.978 5.087 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccc(OC)cc1 224600649 MZCRXECJRBUVAT-UHFFFAOYSA-N 421.493 5.242 0 40 HKAB Cc1ccc(C)c(CC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)c1 224698558 KPDFVBCSCMBKLT-QFIPXVFZSA-N 420.597 5.021 0 40 HKAB CC(C)c1ccc(NC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)cc1 224876007 GUVOVGOVGIQEDC-UHFFFAOYSA-N 413.315 5.799 0 40 HKAB O=C(NCc1ccco1)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224940654 PIFUTNVCPYACSG-UHFFFAOYSA-N 423.266 5.294 0 40 HKAB O=C(O)[C@H](Cc1ccccc1Sc1ccccc1)Oc1cccc2ccccc12 225131876 DNKDWMXBGDVGPD-QHCPKHFHSA-N 400.499 6.066 0 40 HKAB COC(=O)c1cc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)ccc1Cl 225505679 WXCSSKQAYJQCNI-OAQYLSRUSA-N 424.953 5.511 0 40 HKAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1ccccc1Sc1ccccc1 225795317 DBDGCVQCJGTJQA-UHFFFAOYSA-N 411.530 5.779 0 40 HKAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1csc2ccccc12 257315652 VCHBHMIVJOUBPV-SHTZXODSSA-N 423.563 5.717 0 40 HKAB Cc1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)c(Cl)c1 409041254 JJKQENKJBCDVFT-UHFFFAOYSA-N 403.256 7.188 0 40 HKAB O=C(Nc1sc2c(c1C(=O)Nc1cccnc1)CCCC2)c1cccc(Cl)c1 409115356 RKBMDNZBVPFDIK-UHFFFAOYSA-N 411.914 5.180 0 40 HKAB COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)ccc1OC(C)C 409132283 NRYYHDBKZCBKPF-RCCKNPSSSA-N 411.523 5.152 0 40 HKAB O=C1S/C(=C/c2cc(Br)cs2)C(=O)N1Cc1ccc(Cl)cc1 409234491 KZVJALYZKIWYMH-AWNIVKPZSA-N 414.733 5.401 0 40 HKAB Fc1ccccc1COc1ccc(Br)cc1-c1nc2ccccc2s1 409268075 YBCJLVVOKTXKLM-UHFFFAOYSA-N 414.299 6.444 0 40 HKAB O=C(Cc1coc2ccc3ccccc3c12)N1CCN(c2cccc(Cl)c2)CC1 702380 SPXQEVQDAFTDPG-UHFFFAOYSA-N 404.897 5.131 0 40 HKAB Cc1ccc2cc(CN(C(=S)NC3CCCCC3)C3CCCC3)c(=O)[nH]c2c1C 874509 ASBQELRBKJJWER-UHFFFAOYSA-N 411.615 5.097 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc5ccccc5o4)cc3)nc2c1 1250518 LDPJLDBTGKZXCQ-MRXNPFEDSA-N 410.473 7.007 0 40 HKAB CCCCc1ccc(Nc2ncnc3ccc(I)cc23)cc1 1779976 PGZMNLQUQGJNFI-UHFFFAOYSA-N 403.267 5.321 0 40 HKAB COc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Br)cc23)cc1 1916654 KKFLNPKOOCRRTJ-HIXSDJFHSA-N 406.279 6.103 0 40 HKAB Cc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 2344293 GGPUBMZDUVUFPB-HSZRJFAPSA-N 413.448 5.028 0 40 HKAB CCCc1nc2sc3c(NCCC(C)C)nc(SC)nc3c2c2c1CCC2 2367377 CAOXJHOWEBXXMK-UHFFFAOYSA-N 400.617 5.861 0 40 HKAB Cc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)cc2)cc1 2380277 PVBBKXFZMTUXHP-JOCHJYFZSA-N 415.876 5.500 0 40 HKAB Cc1nnc(SCc2ccc(Cl)cc2)nc1SCc1ccc(Cl)cc1 2550092 MQXBOVGTPAKURV-UHFFFAOYSA-N 408.379 6.071 0 40 HKAB COc1ccc(OCc2nc3ccccc3n2CCCOc2ccc(C)cc2)cc1 2668917 UGSQJKGTHZODFN-UHFFFAOYSA-N 402.494 5.401 0 40 HKAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 2707257 CEBWMWIVTCQMCD-NTCAYCPXSA-N 411.567 5.753 0 40 HKAB CCCOc1ccc(-c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c3ccccc3n2)cc1 2753872 PLJFGSXDTVHLKN-RTBURBONSA-N 402.538 5.809 0 40 HKAB Clc1ccccc1CSc1nc(NCCc2ccccc2)c2ccccc2n1 2941477 MWHQQOHCARZROK-UHFFFAOYSA-N 405.954 6.230 0 40 HKAB NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1cccc(C(F)(F)F)c1 3108415 PWGHXKUQAFOMGW-JLPGSUDCSA-N 401.171 5.090 0 40 HKAB COc1ccc(Cl)cc1NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1 3226695 QECDVYMCYJMBQR-UHFFFAOYSA-N 423.896 5.053 0 40 HKAB O=c1nc(C(F)(F)F)c(-c2nc3ccccc3s2)c2sc3ccccc3n12 3277613 XFMUQWDNLPFYSK-UHFFFAOYSA-N 403.410 5.205 0 40 HKAB Cc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 3765382 SLQMFNWIQQBHQT-UHFFFAOYSA-N 419.859 6.643 0 40 HKAB CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)n(-c2ccccc2)n1 3833970 ZFJZXGAFKPFNSG-UHFFFAOYSA-N 403.313 6.121 0 40 HKAB in-vitro Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c(C)c1 4033247 IXMAXZUGHGZTCS-HXUWFJFHSA-N 413.496 5.361 0 40 HKAB O=C(Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12)c1cccc(Cl)c1 4267627 BXOGRSAWCHNZQL-UHFFFAOYSA-N 408.816 5.730 0 40 HKAB CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)/C=C/c2ccccc2)c2ccccc21 4535268 RKNQSFIXDXLHEM-IAQPNLFFSA-N 410.517 5.619 0 40 HKAB COc1ccc([C@@H]2CC(c3cccc4ccc(=O)oc34)=Nc3ccccc3S2)cc1 4648801 FEFYXQNTYVYLSU-QHCPKHFHSA-N 413.498 6.160 0 40 HKAB O=C(c1csc(Nc2cccc3ccccc23)n1)N1CCN(c2ccccc2)CC1 4675639 RYXLMGCEWPNXCG-UHFFFAOYSA-N 414.534 5.002 0 40 HKAB CSc1ccc(CN2CCC[C@@H](C(=O)N3CCC(Cc4ccccc4)CC3)C2)cc1 4745061 WPYCCSDWVUEJDE-XMMPIXPASA-N 422.638 5.102 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)C2(NC(=O)Nc3ccc(C)cc3)CCCCC2)cc1 4967918 KGWUBOCVMCFFAQ-LJQANCHMSA-N 407.558 5.972 0 40 HKAB CC(=O)N1c2ccccc2[C@H](N(C(=O)/C=C/c2ccccc2)c2ccccc2)C[C@H]1C 5258912 DCZDXBPFAUVTBW-JHATUCIOSA-N 410.517 5.619 0 40 HKAB Cc1cccc2c(=O)c(-c3ccc(Cl)cc3)c(NC(=O)c3ccc(F)cc3)oc12 5483705 FAHBHDVZHKWXLZ-UHFFFAOYSA-N 407.828 5.813 0 40 HKAB CCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2Cc2ccccc2)cc1 5562219 WBQKBDHXKPGROI-LCUIJRPUSA-N 404.510 6.035 0 40 HKAB COc1ccccc1NC(=O)CSc1nc2ccccc2n1CCc1ccccc1 6024966 RWOHDUHLEYFDTF-UHFFFAOYSA-N 417.534 5.018 0 40 HKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccccc1OC 6633848 ODZJLQVUAMRHHO-UHFFFAOYSA-N 416.477 5.888 0 40 HKAB O=C(N/N=C/c1c2ccccc2c(Cl)c2ccccc12)c1ccc2c(c1)OCO2 6684240 CFUZPXWJLHKDLE-BRJLIKDPSA-N 402.837 5.139 0 40 HKAB CCc1cc2c(=O)n3c(nc2s1)/C(=C/c1cccc(OCc2ccccc2)c1)CC3 6860035 JVQLFIKBIVZICR-CPNJWEJPSA-N 414.530 5.544 0 40 HKAB CCN(CC)C(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 7408499 SQMUWFCSWYCOQA-QHCPKHFHSA-N 418.562 5.641 0 40 HKAB O=C(Cc1cccc2ccccc12)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 7975881 BEDUSSQESHOFQR-UHFFFAOYSA-N 417.896 5.277 0 40 HKAB C[C@H]1CN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)C[C@H](C)O1 8190115 IFTGVDPPTGAHSA-HOTGVXAUSA-N 402.523 5.034 0 40 HKAB O=C(CN(C1=NCCCCC1)c1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 8418619 HQLNFNBLLAKPLW-UHFFFAOYSA-N 406.860 5.603 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2OC(F)F)cc1 8432305 JHTNFHDNPREZPP-NZQKXSOJSA-N 422.431 5.539 0 40 HKAB CCn1c(SCC(=O)N(C)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 9127696 ITDYFAJBQXVNCZ-UHFFFAOYSA-N 421.353 5.027 0 40 HKAB Cc1ccc(-c2nnc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)o2)cc1 9190514 MIMWPLRFSHZTPB-UHFFFAOYSA-N 424.254 5.320 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c1 10120033 RYKGBZPCXHBINN-UHFFFAOYSA-N 400.478 5.850 0 40 HKAB COc1ccc(Nc2ncnc3c2cnn3-c2cc(Cl)ccc2C)cc1Cl 10386684 SHEZZVQPNAENSI-UHFFFAOYSA-N 400.269 5.183 0 40 HKAB Oc1ccc(CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)c2cccnc12 12139500 YAASSFMFYURNFV-UHFFFAOYSA-N 419.453 5.770 0 40 HKAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)/C=C/c2ccccc2)cc1 12420646 DVTCVHHMJPHVPH-GUWJCNJBSA-N 408.501 5.364 0 40 HKAB biogenic,in-vitro Cc1ccc(-c2cn(-c3ccccc3)c(Sc3nnnn3-c3ccccc3)n2)cc1C 12551356 QFOCUTBFPXXASL-UHFFFAOYSA-N 424.533 5.283 0 40 HKAB CCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc(C)c(F)c2)n1 12913058 GKEBOXIHQDVMNO-AWEZNQCLSA-N 424.501 5.022 0 40 HKAB CC(=O)c1ccc(NC(=S)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)cc1 16155632 DKTJFYYXFGKWJV-JOCHJYFZSA-N 414.958 5.210 0 40 HKAB Cc1ccc2nsnc2c1NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1 16348807 OZENVHIWKPMSDE-UHFFFAOYSA-N 413.458 5.025 0 40 HKAB Clc1ccc(OCc2ccccc2Cl)c(CNCc2ccccc2Cl)c1 16449717 FHGBXCGUOPDERW-UHFFFAOYSA-N 406.740 6.516 0 40 HKAB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CNc1ccc(-c2ccccc2)cc1 16493175 IWKXUFZCYPDVTN-KGENOOAVSA-N 420.921 6.113 0 40 HKAB COC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 17088994 GECDKZDSKUMLSP-RYQLBKOJSA-N 411.567 5.428 0 40 HKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCC[C@@H]1c1cccnc1 24777047 IVTSEVKVEKGXDF-KVACCUTFSA-N 420.516 5.311 0 40 HKAB Cc1c(C(=O)Nc2nonc2-c2ccc(OCC(C)C)cc2)oc2ccc(F)cc12 27990150 RDVBXMQIMMZYQP-UHFFFAOYSA-N 409.417 5.217 0 40 HKAB CCCCC1CCC(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CC1 28288538 WHDBKJBNZPPFCQ-UHFFFAOYSA-N 405.007 6.119 0 40 HKAB CCn1c(S[C@@H](C)c2nc(-c3ccco3)no2)nnc1-c1ccc(C(C)(C)C)cc1 29739285 XXXMPCNEZBTGIW-AWEZNQCLSA-N 423.542 5.759 0 40 HKAB C[C@H](c1ccco1)N(C(=O)CSc1ccc(Br)cc1)c1ccccn1 37868114 XYZVZXUWISZKQZ-CQSZACIVSA-N 417.328 5.324 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 38755312 JPTAIQZGOWVHMS-OAHLLOKOSA-N 404.348 5.311 0 40 HKAB O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1ccc(Cl)cc1 39860672 RFKBBEVXYMSZGJ-WOJGMQOQSA-N 416.285 6.494 0 40 HKAB COCc1ccccc1NC(=O)c1ccc(COc2cccc(Br)c2)o1 40142266 VWUJPCXULKIBAM-UHFFFAOYSA-N 416.271 5.020 0 40 HKAB CCCCOc1ccc(-c2cc3c(SCc4ccc(F)cc4)nccn3n2)cc1 45925389 GRBFAXDRHCSYPO-UHFFFAOYSA-N 407.514 6.007 0 40 HKAB Cc1cccc(N2CCN(Cc3cn[nH]c3-c3ccc(Cl)cc3Cl)CC2)c1C 57541670 RQFDZMZCSINYHP-UHFFFAOYSA-N 415.368 5.323 0 40 HKAB CCc1cccc(C)c1NC(=O)CS[C@H](c1ccccc1)c1ccc(Cl)cc1 58175682 XIBMSLQGENJYMV-XMMPIXPASA-N 409.982 6.672 0 40 HKAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(OC(F)(F)F)cc1 60037645 IJENAHQDUBLAJB-CQSZACIVSA-N 419.472 5.956 0 40 HKAB CCOc1cc([C@H]2SCC(O)=Nc3c2cnn3C)ccc1OCc1ccccc1C 61719890 VPMTXTZFJRPEFA-JOCHJYFZSA-N 423.538 5.130 0 40 HKAB Fc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1 67261473 ZBEIMKPFCVTAAL-UHFFFAOYSA-N 403.848 5.349 0 40 HKAB COC(=O)c1cn(-c2nc(-c3cccs3)nc3scc(-c4ccccc4)c23)cn1 69419057 WOQQOLZEGLUJKV-UHFFFAOYSA-N 418.503 5.059 0 40 HKAB O=C(Nc1nc(-c2ccccc2)ns1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 84564820 QJECDRPESNZRJO-INIZCTEOSA-N 419.337 5.881 0 40 HKAB Cc1ncc(COc2cc(OCc3cnc(C)s3)c(Cl)cc2Cl)s1 95369579 KBZREFVQEKCEIA-UHFFFAOYSA-N 401.340 5.681 0 40 HKAB N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1CCCc1ccccc1 102716827 MQNNTRJUSGKXED-UHFFFAOYSA-N 409.942 5.658 0 40 HKAB Brc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccncc1)O2 102724410 SXBBPJLDOJWJHX-FPOVZHCZSA-N 406.283 5.086 0 40 HKAB CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccnc1 102970608 ROBYOJANPYWOPL-XMMPIXPASA-N 403.526 6.064 0 40 HKAB C[C@@H](CCC(=O)C[S@@](C)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118925126 CIYRXHNULHWANP-KILLEWLUSA-N 420.703 6.399 0 40 HKAB CO[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@@]132 118936339 DSVYQBSADVVKNY-OJEAMTLJSA-N 400.691 7.733 0 40 HKAB COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(Cl)cc3)c3ccccc3n2)cc1 222630897 BYYNAOBXXYYUOE-MRXNPFEDSA-N 416.908 6.055 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 222939758 MZSAWTGMWWTDIO-NHCUHLMSSA-N 413.558 5.426 0 40 HKAB C[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc2c(c1)CCC2 223206004 FOWGZBKWKBQAMI-HNNXBMFYSA-N 424.338 5.347 0 40 HKAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1CSc1ccc(C)cc1 224339268 CESZFTZVYSYEHS-UHFFFAOYSA-N 409.576 6.270 0 40 HKAB O=C(c1cc(Br)ccc1Cl)N(Cc1ccccc1)Cc1ccccc1 225068097 RQZPQGFMZWOIOC-UHFFFAOYSA-N 414.730 5.945 0 40 HKAB O=C(Cc1ccc(Cl)cc1F)Nc1ccc(Cl)cc1C(=O)c1ccccc1 225572567 LHSIERRFDYWMIC-UHFFFAOYSA-N 402.252 5.545 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C(=O)OCC 225755639 IQSPOEOWZYUOEO-UHFFFAOYSA-N 423.553 5.883 0 40 HKAB Fc1ccc(C[n+]2cccc(-c3nc4cc(-c5ccccc5)ccc4o3)c2)c(Cl)c1 226308555 IUXSKOQOHJOZES-UHFFFAOYSA-N 415.875 6.290 0 40 HKAB c1ccc(N=c2scc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1 252629858 UOYNBGLIVSZTPY-UHFFFAOYSA-N 404.538 7.105 0 40 HKAB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1Cc1ccccc1 260786506 XUEQYDRPRPVQGM-MQNAVGNWSA-N 402.567 5.138 0 40 HKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(C)ccc2C)cc1 408677019 PJEJVSIINFQPHV-UHFFFAOYSA-N 412.489 5.443 0 40 HKAB O=C1NC(=O)/C(=C\c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)S1 408776787 QSLFQRUQWMGULA-WOJGMQOQSA-N 414.939 5.411 0 40 HKAB CCCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 409096979 FMGKAVVKUHHIHH-UHFFFAOYSA-N 420.460 5.105 0 40 HKAB Fc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccccc2)cc1 409098414 LIKKRQWERDTVME-UHFFFAOYSA-N 411.505 6.519 0 40 HKAB COc1ccc(-c2noc([C@H](NC(=O)c3cccc4ccccc34)C(C)(C)C)n2)cc1 526052442 ONICIOIOQZCMRD-NRFANRHFSA-N 415.493 5.416 0 40 HKAB Cc1ccccc1CCc1nc(N2CCC[C@H]2c2ccc(Cl)cc2)ncc1C(=O)O 585266500 AEKPFPRYWDTXPK-QFIPXVFZSA-N 421.928 5.263 0 40 HKAB COc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 670501 XVJXHAQCZMUDBY-UHFFFAOYSA-N 404.491 5.298 0 40 HKAB O=C(Nc1ccc(F)cc1F)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 672868 UHMRMFWXYKIHFU-UHFFFAOYSA-N 404.372 5.161 0 40 HKAB Cc1ccc(-c2csc(N(CCc3ccccc3)C(=O)c3cccc(F)c3)n2)cc1 932681 OFUFRNNHGZHOFV-UHFFFAOYSA-N 416.521 6.147 0 40 HKAB CC(C)(c1ccccc1)c1ccc2[nH]c(C(C)(C)c3ccccc3)c(CC(=O)O)c2c1 1691936 KGZVMMHUJSTEOU-UHFFFAOYSA-N 411.545 6.447 0 40 HKAB Cc1ccc([C@H](CC(=O)N[C@H](C)CCc2ccccc2)c2ccccc2)c(O)c1C 2105785 MCNPFDTVKKNCNO-CJFMBICVSA-N 401.550 5.669 0 40 HKAB biogenic CC(C)Cc1ccc(-c2cc(C(=O)NCCc3ccccc3)c3ccccc3n2)cc1 2105820 NIKMQYCWBBYAHU-UHFFFAOYSA-N 408.545 6.073 0 40 HKAB Cc1c(C)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(C)c2oc1=O 2195029 NBRNNKDYIGTJJZ-UHFFFAOYSA-N 406.265 5.043 0 40 HKAB CCCCCN(CCCCC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC 2708326 MWTLCOVCMKCJIS-UHFFFAOYSA-N 416.587 5.191 0 40 HKAB CN(C)c1ccc(C2(Cl)c3ccccc3N(c3ccccc3)c3ccccc32)cc1 4522536 BTAIWIMSOUNKLT-UHFFFAOYSA-N 410.948 7.067 0 40 HKAB Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](c3ccccc3)C2)cc1C 4652664 PCJIEXUDZWQIAC-RUZDIDTESA-N 409.558 6.783 0 40 HKAB COc1cc2c(cc1OC)[C@H]1CCCC[C@@H]1O[C@@H]2c1ccc(Br)cc1 4783754 ONNBSYIGYVFIKL-FYINFDKHSA-N 403.316 5.612 0 40 HKAB COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 4871519 HWOMHNHGKRJXDG-XUZZJYLKSA-N 420.896 5.600 0 40 HKAB CC(C)(C)NC(=O)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccco1)c1ccccc1 4933830 QAFUTIIBJCKSDT-HXUWFJFHSA-N 410.901 5.236 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccn(Cc2ccccc2Cl)c1=O 5269880 GPLXEQFLFLRORA-UHFFFAOYSA-N 407.684 5.109 0 40 HKAB COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1 5451270 FKLLLGHNIYEWAS-UHFFFAOYSA-N 405.425 5.749 0 40 HKAB biogenic COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccc(Cl)c3)n2)cc1 5529725 YUFVVEPBXLNLKN-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB Cc1ccc(-n2c(SCc3c(F)cccc3Cl)nc3ccccc3c2=O)nc1 6107221 LLWNXMNNBRZIMB-UHFFFAOYSA-N 411.889 5.174 0 40 HKAB Cc1ccc(NC(=O)COc2cc(-c3ccccc3)nc(C(F)(F)F)c2)cc1C 6551006 UIRPDORNHOOSAH-UHFFFAOYSA-N 400.400 5.402 0 40 HKAB O=C(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1cc(=O)c2ccccc2o1 6811449 FRXYDIDLTRBSLT-UHFFFAOYSA-N 409.397 5.023 0 40 HKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 6880819 HVNKEXMPCJSBOV-ZDLGFXPLSA-N 405.878 5.504 0 40 HKAB Cc1ccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)n2-c2ccccc2)cc1 8602048 WPEUIMPLAXXDDP-UHFFFAOYSA-N 419.937 5.871 0 40 HKAB FC(F)(F)c1cccc(-c2cc3ccccc3nc2Sc2ccc(Cl)cc2)c1 8855491 ATYKIHDEAPSWAU-UHFFFAOYSA-N 415.867 7.725 0 40 HKAB CCCOc1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1 9045554 SSIHEGRKURYEGT-UHFFFAOYSA-N 424.331 7.136 0 40 HKAB Fc1cccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)c1 9391137 QVDRTVCCZILDCO-IBGZPJMESA-N 420.340 5.736 0 40 HKAB Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc3c(c(-c4cccs4)c12)CCCC3 9427891 WFFUBWJZSVMGEQ-UHFFFAOYSA-N 423.538 5.877 0 40 HKAB CCOc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccncc2)cc1 10249836 CBRKFKFQDHHFNR-UHFFFAOYSA-N 422.941 5.674 0 40 HKAB Cc1c(Cl)ccc2sc(N(Cc3ccncc3)C(=O)CCc3ccccc3)nc12 10254362 COAMZCPQFAHNTA-UHFFFAOYSA-N 421.953 5.819 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1c(N)c(C(=O)c2cccs2)n2ccccc12 12342154 POEXLGSCGZFPGW-UHFFFAOYSA-N 409.898 5.028 0 40 HKAB Cc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(Br)cc32)cc1 12486518 PPXZMXFQFSHYIV-UHFFFAOYSA-N 424.729 5.845 0 40 HKAB Cc1ccc(C)c(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)c1 13284558 HZRABNTZMRCGKL-UHFFFAOYSA-N 403.323 6.790 0 40 HKAB COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cc(C)ccc2C)cc1 13564529 SFPMEIRXTBNFCB-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB Cc1ccc2nc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)sc2c1 14739822 IAVDEGWDDGMMFE-UHFFFAOYSA-N 411.490 5.105 0 40 HKAB CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)c1 15421794 NDCZLYZKSRCKTF-UHFFFAOYSA-N 415.880 5.766 0 40 HKAB CCc1ccc(Cl)c(CC)c1NC(=O)CCc1c(C)c2ccc(C)cc2oc1=O 16707594 FGUWHOBHECINMA-UHFFFAOYSA-N 411.929 5.759 0 40 HKAB O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1ccc(Cl)cc1Cl 17130868 WYZWKEMFLPGZIL-ROMGYVFFSA-N 409.272 6.224 0 40 HKAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2cc(C(C)(C)C)ccc2O)cc1 17360917 NXEWKLSRBAXONI-UHFFFAOYSA-N 408.498 5.055 0 40 HKAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(CCc1ccc(F)cc1)CO2 20412315 BLKQRMKVRNXNAR-UHFFFAOYSA-N 415.464 5.302 0 40 HKAB biogenic CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@]43C)[C@@H]2C1 25549437 LIIFBMGUDSHTOU-RKYAPJIDSA-N 424.713 8.377 0 40 HKAB Cc1c(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)oc2ccc(Cl)cc12 27663615 PXPUWRAFAHWZMA-GOSISDBHSA-N 416.974 5.803 0 40 HKAB CCOc1ccccc1NC(=O)c1nc(SCc2cccc(C)c2)ncc1Cl 27664166 VYIUSXNJFLEAPU-UHFFFAOYSA-N 413.930 5.382 0 40 HKAB Cc1ccc(-c2nnc([C@H](C)NC[C@H](c3ccccc3)c3c[nH]c4ccccc34)o2)cc1 32739732 XYFRCCKMMPMNHM-WMZHIEFXSA-N 422.532 6.009 0 40 HKAB COc1ccc([C@H]2CCCCCN2C(=O)CCc2ncc(-c3ccccc3F)o2)cc1 32882033 UTEYOSOHIFNLEE-JOCHJYFZSA-N 422.500 5.566 0 40 HKAB O=C(COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1)Nc1ccc(F)cc1 33327313 YPVLAKRNYMMEOJ-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB O=C(O)/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1nc2ccccc2[nH]1 33722523 LMIINLDXYQEAOQ-GHRIWEEISA-N 412.474 5.102 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34576029 LZHRRGGNNXYJOT-KEDFQAJKSA-N 402.663 6.360 0 40 HKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1c(F)cccc1Cl 44841577 IGHVXTOXTJKUPZ-GOSISDBHSA-N 416.345 5.340 0 40 HKAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc(C2CCCCC2)cc1 52537386 DBSPSLMWEQGGBQ-UHFFFAOYSA-N 411.977 5.148 0 40 HKAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 59461559 CFQSPDRHNANJEI-OKILXGFUSA-N 420.340 6.041 0 40 HKAB O=C(Nc1cccc(C2SCCS2)c1)c1cnn(-c2ccc(Cl)cc2)c1 84374472 MTVNCHMZPHNFLD-UHFFFAOYSA-N 401.944 5.257 0 40 HKAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)CC(=O)Nc1c(Cl)cccc1Cl 89558943 NMCMLTYXZDZNPJ-GFCCVEGCSA-N 400.375 5.513 0 40 HKAB Cc1nn(-c2ccc(Br)cc2)c(C)c1-c1nc(-c2ccccc2)c(C)[nH]1 95468285 NJLCJEXWLAPBEO-UHFFFAOYSA-N 407.315 5.617 0 40 HKAB CO[C@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@@H](C)CCCC(C)C)[C@@H]21 118932529 WCLAESSRAKSOIR-UZGJVEAQSA-N 416.690 7.014 0 40 HKAB C[C@H]1CCCCN1Cc1cccc(NC(=O)c2ccccc2CN2CCCCC2)c1 141578773 SUMDNAYSWJEGRH-NRFANRHFSA-N 405.586 5.299 0 40 HKAB O=C(Cc1ccccc1F)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 211132501 MVYUQQZNKLDXTA-UHFFFAOYSA-N 404.470 5.269 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c(C)c1 219770297 KHYLGWBFBNLXBF-UHFFFAOYSA-N 423.896 5.656 0 40 HKAB Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 222824267 QNJUNFOAXIYBML-LEWJYISDSA-N 409.580 5.515 0 40 HKAB Cc1cccc(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 223394907 PACYXXKEAPDPAO-UHFFFAOYSA-N 411.954 5.750 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)c1 223834870 JEYVSRRUTFFSJM-CYBMUJFWSA-N 410.739 5.940 0 40 HKAB Cc1cccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1 224049153 KSRGWIGPFQXSTE-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1C 224105616 NVYXIBJSBALNCQ-KRWDZBQOSA-N 409.913 5.727 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 224209922 IQKLTWZPCSJBTH-DNQXCXABSA-N 416.594 5.874 0 40 HKAB O=C(NCCOc1ccccc1Cl)c1ccc(CN2CCCc3ccccc32)cc1 224328884 QKLAKPNWKBYSQR-UHFFFAOYSA-N 420.940 5.102 0 40 HKAB CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccccc1OC 224573778 PMMGDJYEFGSNMM-UHFFFAOYSA-N 409.526 5.293 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 224984709 XNTCPNGVZHBQEQ-UHFFFAOYSA-N 411.954 6.428 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1OCC 225379642 ARVMGXDOWDZKRA-CQSZACIVSA-N 410.341 5.601 0 40 HKAB COC(C)(C)CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1Cl 225505496 ZVMIONPBZIIXFZ-UHFFFAOYSA-N 415.961 5.984 0 40 HKAB CC[C@H](C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1)c1ccccc1 225540810 HPEKPDODVUNVFA-CTNGQTDRSA-N 403.526 5.020 0 40 HKAB CC(C)Oc1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)cc1 225610452 HQOWNTFGWQBHKH-UHFFFAOYSA-N 409.020 5.737 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)/C(=C/c2ccco2)c2ccccc2)c2ccccc2O1 225717291 POAUQOYCXZUJDP-YHBLIXGUSA-N 401.506 6.019 0 40 HKAB COc1ccccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257244439 ILHMUWLYEDHVHZ-HXUWFJFHSA-N 410.901 5.295 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@](=O)(NCc1ccc(Cl)cc1)c1ccccc1 263621415 IZYNVHGCIOCYJS-COYUXWILSA-N 419.933 6.426 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]21)c1ccccc1 408625496 YJKWSURSJGMESX-IPZZXCBHSA-N 410.300 5.389 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(Cl)cc2)c(C)c1 408698186 LWKVBRPMLQOXHX-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 408701097 RHOWKLDCHSXPDP-UHFFFAOYSA-N 407.841 5.292 0 40 HKAB CCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)NC1=S 409085929 XKUMHMRSUTYHJK-YVLHZVERSA-N 421.349 5.040 0 40 HKAB CC[C@@H]1CCCN(C(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3onc(C)c23)C1 606351286 AMDUWWGHMMNATL-CQSZACIVSA-N 417.431 5.479 0 40 HKAB O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)N1CCCCCC1 1099207 DKYMQRGQLQJSNE-UHFFFAOYSA-N 417.987 5.506 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccccc1Br 1268045 ZAHQYLBCULEHQU-VOTSOKGWSA-N 401.087 5.416 0 40 HKAB O=C(CSc1nc2ccccc2cc1Cc1ccccc1)Nc1ccccc1F 1339870 URDWJQRVJMWNJI-UHFFFAOYSA-N 402.494 5.696 0 40 HKAB CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1NCc1ccccc1C 1341118 CMDCLGWWJQONNU-UHFFFAOYSA-N 416.525 5.205 0 40 HKAB COc1ccc(OC)c(NP(=O)(Oc2cccc(C)c2)Oc2cccc(C)c2)c1 1862528 GMWKMWUSVOITPI-UHFFFAOYSA-N 413.410 5.999 0 40 HKAB CCCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3C)coc2c1 1915415 YJGKMGLAGBTWKJ-QGZVFWFLSA-N 410.466 5.231 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)cc1 2050757 SVWGZAJEYWYFGL-UHFFFAOYSA-N 422.484 6.689 0 40 HKAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(F)c(Cl)c2)cc1 2219772 GXILQQDPSLOUIA-UHFFFAOYSA-N 404.832 5.437 0 40 HKAB O=C(Nc1ccccc1N1CCCC1)c1ccc(-c2cc3ccccc3oc2=O)cc1 2411973 HTKCOVUNDMYFLE-UHFFFAOYSA-N 410.473 5.313 0 40 HKAB CCOc1ccc2c(c1)c1nnc(-c3ccc(F)cc3)c-1cn2Cc1cccc(F)c1 2690582 JKUJYWWJPXMOGG-UHFFFAOYSA-N 415.443 5.928 0 40 HKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1c(F)c(F)c(F)c(F)c1F 2729583 QSCZRYJMQJXSMP-UHFFFAOYSA-N 420.362 5.911 0 40 HKAB O=P(Oc1ccccc1)(Oc1ccccc1)O[C@H](c1ccccc1)C(F)(F)F 3130282 AMNKRZZZUCRFKM-LJQANCHMSA-N 408.312 6.573 0 40 HKAB CCc1cccc(C)c1NC(=O)COC(=O)[C@H](Sc1ccccc1)c1ccccc1 3273346 VKQXSDINHWFODX-XMMPIXPASA-N 419.546 5.573 0 40 HKAB COc1cccc(/C=C(/C(=O)OCC(=O)Nc2ccc(C)c(C)c2)c2ccccc2)c1 3322557 DOAYZNCHSVVNDE-LFVJCYFKSA-N 415.489 5.035 0 40 HKAB COc1cccc(Oc2nc(C)nc3scc(-c4ccc(OC)c(OC)c4)c23)c1 3420702 ILFOSTNAXIQXOH-UHFFFAOYSA-N 408.479 5.485 0 40 HKAB O=C(Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1)c1cccs1 4078243 LZTCQIGVUAIEGF-UHFFFAOYSA-N 401.460 5.163 0 40 HKAB Cc1ccc2cc(CN(Cc3ccccc3)C(=O)C3CCCCC3)c(=O)[nH]c2c1C 4131274 XMAQQJRMKRXSNM-UHFFFAOYSA-N 402.538 5.254 0 40 HKAB CC(C)Cn1c(SCC(=O)Nc2ccccc2Br)nc2ccccc21 4265535 ZRFDTNQTMBEDRQ-UHFFFAOYSA-N 418.360 5.186 0 40 HKAB CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 4282006 YRTQDPXEEUNDKX-REWPJTCUSA-N 408.885 5.882 0 40 HKAB CCCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(Cl)cc1 4328772 ZZYUSXOXYZJWAK-UHFFFAOYSA-N 414.962 5.356 0 40 HKAB c1ccc(CN2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4cccs4)=NN23)cc1 4424546 BSDMCVCYKQSWCU-JOCHJYFZSA-N 415.562 5.284 0 40 HKAB Cc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccc(Cl)cc1 4518185 QUUXDQHLRZMNNJ-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB CCc1ccc(-n2nc3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3n2)cc1 4723346 QYFSQUOQXUGUAJ-UHFFFAOYSA-N 400.482 5.022 0 40 HKAB O=C(Nc1nc(-c2ccccc2)cs1)[C@H](Sc1ccccc1)c1ccccc1 4825751 PQBOPSXUIJJWRM-OAQYLSRUSA-N 402.544 6.282 0 40 HKAB CC(C)N(C(=O)Cn1cc(SCC(=O)Nc2ccccc2)c2ccccc21)C(C)C 5087501 ONFXDATUOGIECR-UHFFFAOYSA-N 423.582 5.018 0 40 HKAB Cc1ccc(COc2cccc(/C=C3\SC(=O)N(c4cccc(O)c4)C3=O)c2)cc1 5376172 OKBXQIPQHCWYIZ-XKZIYDEJSA-N 417.486 5.521 0 40 HKAB COc1ccc([C@@H]2CC(=O)[C@H](C(=O)OC3CCCCC3)[C@@H]2c2ccc(OC)cc2)cc1 5411722 YHURCXIZSWWLLE-CAOCKLPOSA-N 422.521 5.036 0 40 HKAB Clc1ccccc1N1CCN(c2ncnc3scc(-c4cccs4)c23)CC1 5489895 PRPLTWCHMKKRIZ-UHFFFAOYSA-N 412.971 5.400 0 40 HKAB O=C(Nc1cccc2cnccc12)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 5525617 BGNLOVWLEKUOBW-PXLXIMEGSA-N 416.427 6.016 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(Cl)c(Cl)cc1Cl 5602342 LRRJHRBPJAUVCP-UHFFFAOYSA-N 404.724 6.808 0 40 HKAB CCCc1sc(Nc2ccc(C(=O)O)cc2)nc1-c1ccc(Br)cc1 6078140 YMHUZPUPUUSNRL-UHFFFAOYSA-N 417.328 5.967 0 40 HKAB CCCc1nc2ccc(Br)cc2c(=O)n1/N=C/c1ccc(C(C)C)cc1 6325029 BAWDGGNNWBFPFX-YDZHTSKRSA-N 412.331 5.117 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 6346347 CAHJCOXAZKATNV-CXUHLZMHSA-N 410.473 5.263 0 40 HKAB CCCCOc1ccc(C2=NNC(c3ccncc3)=Nc3ccc(OCC)cc32)cc1 6480985 PQVGIKKPIRAUOO-UHFFFAOYSA-N 414.509 5.093 0 40 HKAB CCOc1ccc(C(C)=O)cc1CSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 6489594 KTZXEZGRLCFSCT-UHFFFAOYSA-N 417.918 5.027 0 40 HKAB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccc2ccccc2c1 6496707 SGVSNZAZLNXIGS-UHFFFAOYSA-N 414.464 7.054 0 40 HKAB Cc1ccc(NC(=O)COC(=O)[C@H]2CCCC[C@@H]2c2nc3ccccc3s2)cc1C 6541648 FIZPFMLFAHKMPA-OALUTQOASA-N 422.550 5.369 0 40 HKAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cccc3ccccc23)cc1 6630469 ODTCMGAAMNUWJH-UHFFFAOYSA-N 410.473 5.259 0 40 HKAB CCOc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 6779819 GQZPOAUVKZAMQR-SABQQLBSSA-N 406.610 7.081 0 40 HKAB O=C(/N=c1\sccn1Cc1ccc(Cl)cc1Cl)c1cc2c(s1)CCC2 7191684 UMDVXDVVHOOIAD-UZYVYHOESA-N 409.363 5.196 0 40 HKAB CCCCn1nnnc1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 7262106 UKZYIIKEMPHFBG-UHFFFAOYSA-N 421.932 5.471 0 40 HKAB Cc1ccc(-c2noc(CN(C)C(=O)c3ccccc3CCc3ccccc3)n2)cc1 7780764 OFGWJDLCYRCLIM-UHFFFAOYSA-N 411.505 5.102 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1 7848171 CNWGLTOYRBRIDH-VWLOTQADSA-N 413.521 5.222 0 40 HKAB O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccccc1OCc1ccccc1 8161214 YWZLIALBBMDDFD-JOCHJYFZSA-N 403.478 5.076 0 40 HKAB CCOc1cc(CNCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 8254589 RMDWXJMSBBZAJV-UHFFFAOYSA-N 416.348 6.261 0 40 HKAB C[C@H](NC(=O)CSc1nnc(C2CC2)n1C1CC1)c1ccc(-c2ccccc2)cc1 8314684 SRLYSJLROLRCKU-INIZCTEOSA-N 418.566 5.127 0 40 HKAB Cc1nc2c(-c3ccccc3)c(C)nn2cc1C(=O)Nc1ccccc1C(F)(F)F 8559355 RMMOUAWTGKMDHD-UHFFFAOYSA-N 410.399 5.284 0 40 HKAB Cc1c(NC(=O)c2sc3ccccc3c2Cl)cccc1-c1nc2ccccc2o1 8589866 BEGRLSDVKJYGKR-UHFFFAOYSA-N 418.905 6.924 0 40 HKAB COc1ccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc54)o3)cc2)cc1OC 9225967 ICSATPBWYVNPQN-UHFFFAOYSA-N 424.456 5.918 0 40 HKAB O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1Cl 9275134 RMHYKELUXIIQSO-UHFFFAOYSA-N 413.058 5.058 0 40 HKAB CCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 9426277 FEECBEXPRTXYAY-XMMPIXPASA-N 400.909 6.444 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](Nc1ccc2oc(C)nc2c1)c1ccccc1 9469131 MZVGBVVBMSXDKN-QHCPKHFHSA-N 401.466 5.245 0 40 HKAB c1ccc2c(Cc3nnc(SCc4cscn4)n3C3CCCCC3)cccc2c1 9512659 ZVXTZLBIQFRZKP-UHFFFAOYSA-N 420.607 6.276 0 40 HKAB Cc1ccc(-n2nc(C)c(NC(=O)CSc3c(Cl)cccc3Cl)c2C)cc1 9596259 JCORPQXKRONAGG-UHFFFAOYSA-N 420.365 5.835 0 40 HKAB Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2Nc2ccc(Cl)cc2)cc1 9838629 WXMDRWLEUFLLLE-UHFFFAOYSA-N 422.937 6.081 0 40 HKAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 10443950 HYTUDIREXDIUBP-UHFFFAOYSA-N 411.918 5.350 0 40 HKAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NC(c1ccccc1)c1ccccc1 11463479 KYIOOSZCBWBSOQ-UHFFFAOYSA-N 400.453 5.319 0 40 HKAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 12782070 CRKAKRNOBUJVPM-QFIPXVFZSA-N 406.507 5.126 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 13631066 VNPLUXHIRRHPKC-UHFFFAOYSA-N 422.912 5.237 0 40 HKAB C[C@]12[C@@H](c3ccc(F)cc3)c3ccccc3O[C@@]1(c1cccs1)C2(Cl)Cl 13879900 LGQNCDSWNAUXGK-SLFFLAALSA-N 405.321 6.501 0 40 HKAB O=C1C[C@@H](c2ccccc2OCc2ccccc2F)c2c(sc3c2CCCC3)N1 15084821 RMHSDRQLHBKWKR-SFHVURJKSA-N 407.510 5.819 0 40 HKAB COc1cccc(Nc2cc(C)nc3c(-c4ccc(F)cc4)c(C(F)(F)F)nn23)c1 15839988 FAJZWHVHTOXPMF-UHFFFAOYSA-N 416.378 5.615 0 40 HKAB COc1ccc(-n2c(COc3ccccc3-c3ccccc3)nc3ccccc32)cc1 15913210 RAQXESOIIDTXKO-UHFFFAOYSA-N 406.485 6.280 0 40 HKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1csc(-c2ccccc2)n1 16442959 NSXCZUINFRWPDW-UHFFFAOYSA-N 420.365 5.578 0 40 HKAB C[C@H]1S[C@@H](c2cccc(Br)c2)N(c2nc3ccccc3s2)C1=O 16608040 QAKDFWIWDWMESM-HWPZZCPQSA-N 405.342 5.226 0 40 HKAB CCn1c(SCc2ccc(Br)cc2)nnc1-c1cccc(Cl)c1 17088101 LAHFUXRDSMUVHI-UHFFFAOYSA-N 408.752 5.673 0 40 HKAB CCc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nc4ccccc4n32)cc1 20797317 ACUGCLPRPDIDMN-RUZDIDTESA-N 422.532 5.835 0 40 HKAB Cc1c(-c2ccccc2)sc(CCc2sc(-c3ccccc3)c(C)[n+]2C)[n+]1C 27232747 QIHOCXHRVWQOEG-UHFFFAOYSA-N 406.620 5.195 0 40 HKAB COc1ccc(-c2c(C)nn3c(Nc4ccc(C(C)C)cc4)cc(C)nc23)cc1OC 27585428 XGABPXXGNNEMGY-UHFFFAOYSA-N 416.525 5.897 0 40 HKAB COc1ccc(-n2c(SCc3cccnc3)nnc2-c2ccccc2Cl)cc1 27768575 YYADICAVBMCMNK-UHFFFAOYSA-N 408.914 5.284 0 40 HKAB CSc1nnc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)s1 32502394 BEWWRQHAHKJVPY-UHFFFAOYSA-N 419.837 5.445 0 40 HKAB Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3cccc(C)c3C)n2)cc1 32578857 XPJZCGXYZWBWPV-UHFFFAOYSA-N 413.477 5.493 0 40 HKAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1cccc(Cl)c1Cl)CCCC3 33581386 ZLSWWDHRNQBKEZ-RAXLEYEMSA-N 415.276 5.126 0 40 HKAB Cc1ccccc1NC(=O)Cc1nc(COc2cc(Cl)ccc2Cl)cs1 40161669 ARFRAAVVNCZIOY-UHFFFAOYSA-N 407.322 5.519 0 40 HKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(NCCc4cccs4)ncnc32)c1 41098040 MAPOQJBHQUDZGQ-UHFFFAOYSA-N 410.546 6.112 0 40 HKAB Clc1ccc(-c2nc(N3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1 54214646 NOPDPPMQYVNCOW-UHFFFAOYSA-N 414.940 5.272 0 40 HKAB Clc1ccc(COc2ccc(CNc3ccc(Br)cc3)cc2)cc1 59472255 AOHRFVWORFSJKF-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccc2c(c1)OCO2 67294478 ZLDCMPSOKKUULC-RWEWTDSWSA-N 418.836 5.300 0 40 HKAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72356463 UWUZKGHMACKHGL-GOSISDBHSA-N 416.912 5.298 0 40 HKAB Cc1cccc(CN2C(=O)S/C(=C\c3ccc(-c4ccccc4C(=O)O)o3)C2=O)c1 106708297 SLBXOXDONKHIAS-NDENLUEZSA-N 419.458 5.190 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl 107042914 HMCFYMQYKJLVSG-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB COc1cccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1 166297116 OUOIOWDPXWKXST-UHFFFAOYSA-N 412.283 5.289 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)NCCCc2ccc(F)cc2)c(Br)c1 218883016 CEJFOHODSMGJQE-UHFFFAOYSA-N 422.338 5.014 0 40 HKAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(OCCSc2ccccc2)cc1 219265241 XEGZJZKRLSXUCV-FQEVSTJZSA-N 421.562 5.363 0 40 HKAB CN(CCCNC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccccc1 219775932 GELQBSYXXZQCEA-UHFFFAOYSA-N 408.929 5.175 0 40 HKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1cccc(Cl)c1 222627741 VGMXKCZVRHYFAO-MRXNPFEDSA-N 403.975 5.036 0 40 HKAB COc1cc(C)c(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1C(C)C 225659166 HONJYXKSMHUMRQ-UHFFFAOYSA-N 416.521 5.309 0 40 HKAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(Br)c(Cl)c1 225811333 XKHROGGXOMTCFJ-UHFFFAOYSA-N 408.601 5.139 0 40 HKAB COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Br)o2)cc1N 226765961 IVAFTOCEHXZDIC-UHFFFAOYSA-N 421.678 5.206 0 40 HKAB Cc1cc(C(=O)N2C[C@@H]3CCC[C@@](O)(c4cccc(C(F)(F)F)c4)[C@H]3C2)sc1C 253599635 RZHBBUFATDTUKH-UQASEVPWSA-N 423.500 5.144 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)cc1OCC 408618154 DRKLATOCKNIJAA-UHFFFAOYSA-N 421.493 5.927 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccccc2)c1C 408693647 BLBLZLXKGKMZHE-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc3c(c2)OCO3)C1=O 408800954 QLCXKCKXRWDYAN-LMZUZTJHSA-N 421.542 5.469 0 40 HKAB COc1ccc(CCCc2nnc(SCc3ccc(Cl)cc3Cl)o2)cc1C 409014521 MRISEWHEGUCMSK-UHFFFAOYSA-N 423.365 6.161 0 40 HKAB CCOc1ccc(N2C(=O)/C(=C/c3cc(C(C)C)c(OC)cc3C)N(C)C2=S)cc1 409033719 PCLHVCHHWFLMRC-STZFKDTASA-N 424.566 5.130 0 40 HKAB CC(C)Sc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC[C@@H]4C 1297099 CIRNTHMRRLHFOY-ZDUSSCGKSA-N 410.568 5.035 0 40 HKAB Cc1cc(C(F)(F)F)n(-c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)n1 1425507 XVCIIBOUWHVXGE-UHFFFAOYSA-N 413.321 5.471 0 40 HKAB CC(C)(C)c1ccc(Oc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1 1819612 DHDLGPQUUXHQNR-UHFFFAOYSA-N 406.835 6.906 0 40 HKAB CCCOc1ccc(-c2cc(C(=O)Nc3ccc(OC)cc3)c3ccccc3n2)cc1 2088235 RYVFESMAUCOZKV-UHFFFAOYSA-N 412.489 5.952 0 40 HKAB CC(C)Cc1ccc(-c2cc(C(=O)NC3CCCCCC3)c3ccccc3n2)cc1 2105596 VGHKCDZPAJYWJB-UHFFFAOYSA-N 400.566 6.553 0 40 HKAB CCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 2271643 FMHYUZAZPGXFOX-UHFFFAOYSA-N 418.566 5.970 0 40 HKAB O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccc(Cl)c(Cl)c1 2400122 RQDVMNUXBRFZDP-UHFFFAOYSA-N 404.278 5.414 0 40 HKAB Cc1oc2cc(OCc3ccccc3)ccc2c(=O)c1-c1ccc(Br)cc1 2406766 KSNIRBHVNXOBHB-UHFFFAOYSA-N 421.290 6.110 0 40 HKAB biogenic CC(C)(C)c1ccc(C(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 3166078 GAMWTXDYUIIURJ-GDLZYMKVSA-N 411.589 7.119 0 40 HKAB CN1/C(=C2/C=NN(c3ccccc3)[P@]2(=O)N2CCCC2)C(C)(C)c2ccccc21 3184762 ZAICYCXECGCHEE-HSIOHMKYSA-N 406.470 5.421 0 40 HKAB OC(COc1ccc2oc3ccccc3c2c1)COc1ccc2oc3ccccc3c2c1 3206251 ULTJXDPBVOVUOK-UHFFFAOYSA-N 424.452 6.304 0 40 HKAB COc1ccc(NC(=S)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)cc1 3234095 KPZQNJBQCVNSIQ-NRFANRHFSA-N 402.947 5.016 0 40 HKAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2oc3ccc(CCC(C)=O)cc3c2C)cc1 3302474 HPPOBTPHWSMBNS-QGZVFWFLSA-N 421.493 5.009 0 40 HKAB O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)C1(c2ccccc2)CC1 3344516 BPVUHOOOGSVEBT-UHFFFAOYSA-N 408.573 6.270 0 40 HKAB CCCCn1c([C@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 4033476 SWAFMDPSYIAIEA-HNNXBMFYSA-N 412.331 5.119 0 40 HKAB FC(F)Oc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3ccccc3S2)cc1 4184508 BJECWOUDPJISSC-NRFANRHFSA-N 415.892 7.299 0 40 HKAB O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CCCCC1 4551552 VHFFSTBNRGWDOB-UHFFFAOYSA-N 416.974 5.274 0 40 HKAB COc1ccc(/C=C\c2nc3ccccc3nc2OCc2ccc(C(C)(C)C)cc2)cc1 4698040 AJEGNSGTBVQDGU-AQTBWJFISA-N 424.544 6.685 0 40 HKAB Cc1nc(-c2ccc(Cl)cc2)n(-c2ccc(NC(=O)Cc3ccccc3)cc2)c1C 4704312 KSABASWBNKUIES-UHFFFAOYSA-N 415.924 5.991 0 40 HKAB Cc1cccc(-n2c(SC(C)C)nc3sc4c(c3c2=O)C[C@H](C(C)C)OC4)c1 4897917 WITQUQDACJEHSW-QGZVFWFLSA-N 414.596 5.353 0 40 HKAB Cc1ccc(-c2nn(-c3ccc(C(C)(C)C)cc3)c3c2cnc2ccc(C)cc23)cc1 4970033 PRNZXCYLPUPTCP-UHFFFAOYSA-N 405.545 7.155 0 40 HKAB O=C(COc1cccc2ccccc12)Nc1nc(-c2ccc3ccccc3c2)cs1 5446663 DQRIHHHFHHGKDF-UHFFFAOYSA-N 410.498 6.134 0 40 HKAB Cc1ccc2c(c1)[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN1C1(CCN(C)CC1)O2 5478446 SAOVAMPHQMDJNU-FQEVSTJZSA-N 416.352 5.267 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 5521582 BUWOXNGMJXFFLI-UHFFFAOYSA-N 404.491 5.466 0 40 HKAB Cc1ccc(OCCSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 6039146 XEWDISBCZBNWJM-UHFFFAOYSA-N 401.535 5.722 0 40 HKAB O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2ccccc2Cc2ccccc2)cc1 6083838 YMXHGPOTLBNBPA-UHFFFAOYSA-N 421.500 6.174 0 40 HKAB C[C@H]1CCCCN1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 6199805 BNJCFVMKBBNGGG-FNZWTVRRSA-N 411.549 5.392 0 40 HKAB Cc1cc(C)c2oc(-c3c(Br)cc(C)c(N)c3Br)nc2c1 6275736 JMVUOOZIIWCZIB-UHFFFAOYSA-N 410.109 5.527 0 40 HKAB O=C(c1ccccc1Cl)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 6280919 XHRJOVRUGHDEQX-QHCPKHFHSA-N 412.880 5.275 0 40 HKAB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/C(C)=C/c1ccco1 6355915 DMXFRVJEMCBQNN-KIQDUSJZSA-N 414.303 5.203 0 40 HKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)cc1 6570211 RKQYCDYISODPOI-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB c1ccc(-c2ccc(C3=NN(c4ccccc4)[C@H](c4ccc5c(c4)OCO5)C3)cc2)cc1 6998213 YKABTGFCSWJCKB-SANMLTNESA-N 418.496 6.438 0 40 HKAB Cc1ccc(-n2c(SCc3ncc(-c4ccccc4)o3)nnc2N2CCCC2)cc1 7256864 HNKJYYWHFTXQCV-UHFFFAOYSA-N 417.538 5.123 0 40 HKAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2ccc(Br)s2)cc1 7737538 TYTCKFFRGJUYPA-UHFFFAOYSA-N 415.356 5.311 0 40 HKAB Cc1cccc(NC(=O)Cc2nc(-c3cc(C)n(Cc4cccs4)c3C)cs2)c1 7845577 BXLASPRCWAAAKE-UHFFFAOYSA-N 421.591 5.828 0 40 HKAB CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1SCc1cccs1 9048883 JBXSFTBECXEOFF-UHFFFAOYSA-N 410.589 5.922 0 40 HKAB Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1 9427338 PUZRUSXPRKBURN-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB O=C(Nc1c(Cl)cccc1Cl)c1cccc(NS(=O)(=O)c2ccccc2)c1 10370409 AYXMGHATLPIFCX-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(F)cc1Cl 10971747 UHLPXATXJDQBIQ-UHFFFAOYSA-N 414.811 5.798 0 40 HKAB CCC(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCCC2)cs1 12241408 KOCKVRDBBSUDEK-UHFFFAOYSA-N 411.571 5.042 0 40 HKAB COc1ccc(CCNc2ncc(-c3cccs3)c(-c3nccs3)n2)cc1OC 12251463 CBSICILMPFXBPV-UHFFFAOYSA-N 424.551 5.000 0 40 HKAB C[C@H](C(=O)NCc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)c(F)c1 12389031 PVQRTODVOFEVPR-AWEZNQCLSA-N 402.296 6.219 0 40 HKAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 12522955 PELGUIFULHELFB-UHFFFAOYSA-N 423.557 5.296 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1nc2ccc(SC(F)F)cc2s1 12622020 XDZNXUIDPLMQMZ-UHFFFAOYSA-N 416.474 6.025 0 40 HKAB C[C@H](SC1=Nc2ccccc2[C@H]2CC=NN12)C(=O)Nc1cc(Cl)ccc1Cl 12762839 BFQFUNAPBYAGBK-APPDUMDISA-N 419.337 5.488 0 40 HKAB CC(C)c1ccccc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 12982256 QZRSEZXUKZNGCN-UHFFFAOYSA-N 400.931 5.680 0 40 HKAB COC(=O)c1cc2ccccc2cc1OCC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 12995429 IHBZNHYYRPOFGG-SFHVURJKSA-N 419.521 5.081 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(CC(C)C)C3CC3)cc12 13004644 ZGUDOFNQHYQLCI-UHFFFAOYSA-N 401.963 5.369 0 40 HKAB O=C(c1ccccc1)c1ccc(OC(=O)c2cc(Br)ccc2Cl)cc1 13141613 LIJVFLGYJDTDAV-UHFFFAOYSA-N 415.670 5.553 0 40 HKAB C[C@H](CCc1ccccc1)NC(=O)CCCCCNc1nc(=S)[nH]c2ccccc12 13496851 FTXWQZRJVVMNOE-GOSISDBHSA-N 422.598 5.402 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)c1nc(SCc2ccccc2)ncc1Cl 13623669 MNGAYLIXNYYPMG-UHFFFAOYSA-N 423.847 5.693 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc(C2CC2)nn1-c1ccccc1 14709201 DMKFWYHGTLFWPL-UHFFFAOYSA-N 420.472 5.810 0 40 HKAB Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2c1[C@H](c1cccc(F)c1)CC(=O)N2 15106744 QZAIGUPAFBIPKX-INIZCTEOSA-N 414.889 5.575 0 40 HKAB Cc1ccccc1CN(C(=O)Nc1cccc(Cl)c1)c1nnc2n1CCCCC2 16769797 ADZIUSZOSQODPB-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2nc(-c3cccc4ccccc34)cs2)c1 17091178 PBDBIOUCCYRBSF-UHFFFAOYSA-N 417.559 5.707 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3N3CCCCC3)o2)cc1Cl 17092534 OLKOCLBUKCLUFK-WYMLVPIESA-N 420.940 6.551 0 40 HKAB O=C(Nc1ccc(Cl)cc1F)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 20436119 IHXILBXSVWOOTI-UHFFFAOYSA-N 402.684 5.140 0 40 HKAB O=C(N[C@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1)c1cccc(F)c1 20530533 WQZUOEBCTLVWPU-LJQANCHMSA-N 407.832 5.049 0 40 HKAB CCN(Cc1ccc(Cl)s1)Cn1nc(-c2ccccc2Cl)n(C)c1=S 24149618 ISQHGRBZJZTBHO-UHFFFAOYSA-N 413.399 5.466 0 40 HKAB O=C(CCc1ccccc1O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 25349616 VPIJTAFQJNSHNU-HXUWFJFHSA-N 418.924 5.408 0 40 HKAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1 27460271 MIHPZRFHIJWLLW-HSZRJFAPSA-N 415.880 5.181 0 40 HKAB Cc1ccc2c(C)c(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)oc2c1 28290336 LFFGQHJSWSNQPE-QHCPKHFHSA-N 418.581 5.914 0 40 HKAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccc2[nH]c3c(c2c1)CCCCC3 31366131 DRWDKKWBKGSWCG-UHFFFAOYSA-N 405.523 5.643 0 40 HKAB O=C(NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc(Cl)cc1 32126576 TXLXWKKBAPCEDI-UHFFFAOYSA-N 416.742 5.383 0 40 HKAB O=C(CSc1ccc2ccccc2c1)N1c2ccccc2S[C@H]2C=CC=C[C@H]21 33586957 JMIYQJXXZKKCMH-IRLDBZIGSA-N 401.556 5.934 0 40 HKAB Cc1ccc(-c2csc3c(=O)n(CC(=O)Nc4ccc(C)c(Cl)c4)cnc23)cc1 38651700 WKJOLIXVRFMHQF-UHFFFAOYSA-N 423.925 5.034 0 40 HKAB CCOc1ccc(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OCC 38771254 ZVLCPMKNOMLTBJ-UHFFFAOYSA-N 415.839 5.728 0 40 HKAB O=c1cc(-c2ccc(F)cc2)nc2n(Cc3ccccc3Cl)c3ccccc3n12 40484920 VSMILUNAXPOGBS-UHFFFAOYSA-N 403.844 5.157 0 40 HKAB COc1cc(NC(=O)N2CCC[C@@H]2c2ccsc2)ccc1NC(=O)OC(C)(C)C 47560436 GBGFTPHHAMRPBN-QGZVFWFLSA-N 417.531 5.473 0 40 HKAB COc1ccc2cc(CN(C)[C@@H](C)c3nc(N)c4c(C)c(C)sc4n3)ccc2c1 57358608 IURSMCJPHHWGJA-AWEZNQCLSA-N 406.555 5.245 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1cc(Br)cc2cccnc12 59488857 WTXOLUNZLYOHBC-UHFFFAOYSA-N 407.267 5.411 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)cc2Cl)cc1 67297741 APRIWOKHHYNBOQ-PNHLSOANSA-N 418.880 5.888 0 40 HKAB O=[S@](Cc1cccc(C(F)(F)F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1 95948445 GSLVZPHYLHPMBX-NDEPHWFRSA-N 410.407 6.022 0 40 HKAB COc1cccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)c1 100845203 TVGZKZFJFIQNJV-HNNVXOBOSA-N 424.544 6.244 0 40 HKAB CCOC(=O)C1=C(C)N=C2C(=C(O)c3ccccc32)[C@H]1c1ccccc1Br 103591732 PXHRTXFKQYACOF-SFHVURJKSA-N 424.294 5.155 0 40 HKAB C[C@@H](N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 107450782 FVEGEUWYIKZIEV-BVNGXNLASA-N 420.940 5.282 0 40 HKAB CC(C)(C)c1cc(SCC(=O)Nc2ccc(Cl)cc2)cc(C(C)(C)C)c1O 107797446 MENOVXBCKBSTPM-UHFFFAOYSA-N 405.991 6.371 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2C2(C)OCCO2)C1 118924292 IXDXUHKVPQMDIH-OPKHLUCYSA-N 404.591 5.340 0 40 HKAB COc1cccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c1OC 214714338 SYBOKNHJKKYAGU-CXUHLZMHSA-N 424.305 5.247 0 40 HKAB Cc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1C 223075383 LGTAVGYDSYHSMX-UHFFFAOYSA-N 418.924 5.802 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1C(C)C 223371730 XWCWKIYGBCNQJE-SJORKVTESA-N 403.950 5.734 0 40 HKAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(Cl)cc2Br)cc1C 223450363 NWVGJHXWHYXATR-AWEZNQCLSA-N 410.739 5.284 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccc(Cl)cc1 224499965 XOYHWXGHFONZIK-UHFFFAOYSA-N 417.839 5.848 0 40 HKAB CC[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(OC)c(C)c1 224585649 KMEFWNLCNVJXSG-QHCPKHFHSA-N 423.940 6.117 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccc(C)c(C)c1 224619481 SUSAOSZDXXLPIR-UHFFFAOYSA-N 403.522 6.150 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COCc1ccccc1 224750241 ZZFIHQJUTFCQRA-UHFFFAOYSA-N 418.493 5.013 0 40 HKAB Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCC1 225022041 QVWWEPHHPWPNPZ-XZOQPEGZSA-N 402.567 5.096 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c2ccccc12 225684260 DJLJTDLZOIPOGJ-UHFFFAOYSA-N 405.513 6.464 0 40 HKAB COc1cccc(-c2nnsc2C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 225766562 WVTSEGVSMKTHFK-UHFFFAOYSA-N 417.490 5.045 0 40 HKAB CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OCC)c2)CCCCCC1 225852650 PWHGWKINQUXAGK-GOSISDBHSA-N 419.562 5.499 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 408622751 RHXXPWCHSRCLNR-UHFFFAOYSA-N 405.237 5.100 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)c(Cl)c3)n2)c1 408699158 RRCUKZMFHBJWNQ-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccnc3)cc2-c2cccc3ccccc23)c1 408725895 QSLRXHBPFIKJNA-UHFFFAOYSA-N 404.473 5.648 0 40 HKAB CCOc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccccc1 409085699 ZQSIZRFSTPHJNT-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB CCCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1 409093716 AQINWJFGUYHFOA-UHFFFAOYSA-N 412.773 6.608 0 40 HKAB O=C(Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2)c1ccc(Cl)cc1 409110246 AFFRCCMCOZBQSV-UHFFFAOYSA-N 424.953 5.463 0 40 HKAB Cc1sc([C@H](C)NC(=O)c2onc3c2CCCC3)nc1-c1ccc(Cl)cc1 1615612984 MYYXMCRQYSXWAI-NSHDSACASA-N 401.919 5.130 0 40 HKAB Cc1cc2nc(-c3ccccc3NCc3ccc(Br)cc3)[nH]c2cc1C 2049251932 SYSDYUKLRLPIKF-UHFFFAOYSA-N 406.327 6.221 0 40 HKAB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)COc1ccc(F)cc1 675684 FUBFNZZSILBDPG-UHFFFAOYSA-N 417.552 6.006 0 40 HKAB COCc1cc(C)nc2sc3c(c12)N[C@H](c1ccco1)N(Cc1ccccc1)C3=O 720579 LTDBXUIYVWMTOV-NRFANRHFSA-N 419.506 5.111 0 40 HKAB COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 726748 OSSWKPISFFHCIS-UHFFFAOYSA-N 413.260 6.063 0 40 HKAB Cc1ccc(NC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c(C)c1 917992 FQMZXPMVQBFGGI-UHFFFAOYSA-N 421.444 5.493 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1nc(-c2ccc(Cl)cc2)cs1 1013727 QEPYABVVQZEQQV-UHFFFAOYSA-N 413.713 5.788 0 40 HKAB Cc1ccc2oc(C(=O)c3ccccc3)c(-c3ccc4c(n3)-c3ccccc3OC4)c2c1 2150583 USTAWIMPGQLQRY-UHFFFAOYSA-N 417.464 6.594 0 40 HKAB Cc1ccccc1C1(c2ccccc2C)C[C@@H]1C(=O)Nc1ccc(Br)cc1 2186996 GDNYCKAJNLRMGW-JOCHJYFZSA-N 420.350 6.011 0 40 HKAB CC(C)OP(=O)(Oc1ccc([C@@H](O)C(Cl)(Cl)Cl)cc1)OC(C)C 2326348 BXSVTSJVYSNLMT-CYBMUJFWSA-N 405.642 5.427 0 40 HKAB CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccccc1 2376187 WDPCUABBFTUIEB-SETSBSEESA-N 422.509 6.284 0 40 HKAB COc1ccc2nc(NC(=O)c3ccccc3NC(=O)c3ccc(C)cc3)sc2c1 3280790 FNMKFWOOGBLLNK-UHFFFAOYSA-N 417.490 5.118 0 40 HKAB Cc1ccc(-n2c(SCc3nc4ccccc4nc3C)nnc2-c2ccccc2)cc1 3323977 JINBBAGOPPFCEP-UHFFFAOYSA-N 423.545 5.787 0 40 HKAB COc1ccc(NC(=O)CSc2nc3ccccc3n2CCc2ccccc2)cc1 3397828 WZKYFJYIIKTBIT-UHFFFAOYSA-N 417.534 5.018 0 40 HKAB Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 4033540 HNBFGJPNCJMGLW-FQEVSTJZSA-N 413.496 5.361 0 40 HKAB Cc1ccc(-n2c(SCc3cccc(F)c3)nc3c([nH]c4ccccc43)c2=O)cc1 4106592 HRENEFVILZVUBV-UHFFFAOYSA-N 415.493 5.607 0 40 HKAB CCCCc1ccc2nc(Nc3nc4ccc(S(C)(=O)=O)cc4s3)sc2c1 4137719 BNKCGMHBNRAYSC-UHFFFAOYSA-N 417.581 5.396 0 40 HKAB Cc1ccc(NC(=O)CN2C(=O)C[C@@H](c3ccco3)Sc3ccccc32)c(C)c1 4162808 DLABZKYRSUZGEE-NRFANRHFSA-N 406.507 5.105 0 40 HKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2ccco2)cc1 4240734 FUDQJWBLYMIDTD-QFIPXVFZSA-N 422.550 5.092 0 40 HKAB CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 4282005 YRTQDPXEEUNDKX-NZQKXSOJSA-N 408.885 5.882 0 40 HKAB S=C(Nc1ccc(Nc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 4682495 ADQDKYQVZQZGTL-UHFFFAOYSA-N 401.579 6.082 0 40 HKAB Cc1cc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)n(-c2ccccc2)n1 4881190 MKCVWMJJDXBMNQ-UHFFFAOYSA-N 413.264 5.395 0 40 HKAB CCCCC(=O)Nc1oc2c(sc3ccccc32)c(=O)c1-c1ccc(OC)cc1 5030953 GIXBPJBIJBBVMK-UHFFFAOYSA-N 407.491 5.812 0 40 HKAB CCC(CC)C(=O)Nc1c(C(=O)Nc2ccc(OC)c(OC)c2)oc2ccccc12 5107073 UOOGWKMGCVXEGX-UHFFFAOYSA-N 410.470 5.077 0 40 HKAB COc1ccc2nc(N(Cc3ccccn3)C(=O)c3cc(C)ccc3C)sc2c1 5265135 YIUIATYYMQQIGI-UHFFFAOYSA-N 403.507 5.164 0 40 HKAB COc1ccc(-c2c(NC(=O)c3cccs3)oc3ccc(Cl)cc3c2=O)cc1 5349087 LEHQXXYRRTXZKT-UHFFFAOYSA-N 411.866 5.436 0 40 HKAB CC(C)(C)c1ccc(-c2nnc3n2N=C(c2ccc(Cl)c(Cl)c2)CS3)cc1 5477747 LIVPNKVENYYMBF-UHFFFAOYSA-N 417.365 5.908 0 40 HKAB Oc1c(Cl)cc(Cl)c2ccc(/C=C/c3ccc(Oc4ccccc4)cc3)nc12 6346436 YJSSKZYRGBQHRF-RMKNXTFCSA-N 408.284 7.210 0 40 HKAB C[C@@H]1CCc2sc(-c3nnc(SCc4nc(-c5ccccc5)no4)o3)cc2C1 6589514 LLOPQIDTDXRZPX-GFCCVEGCSA-N 410.524 5.265 0 40 HKAB CNC(c1ccccc1)(c1ccccc1)c1ccccc1N(C)C(=O)c1ccccc1 6668334 QKHBQYXALAIYEZ-UHFFFAOYSA-N 406.529 5.475 0 40 HKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc2ccccc2n1 8009849 DCDDTMBPWJWDAN-UHFFFAOYSA-N 418.500 5.360 0 40 HKAB CCOc1cc(CNCC(C)C)cc(Br)c1OCc1ccc(F)cc1 8253973 CSNCSGUYQPNMRA-UHFFFAOYSA-N 410.327 5.312 0 40 HKAB COc1ccc(NC(=O)O[C@@H]2C=C[C@H](c3c(C)nn(-c4ccccc4C)c3C)C2)cc1 8624161 BGDPJHSWOWKMQP-SIKLNZKXSA-N 417.509 5.467 0 40 HKAB biogenic,in-vitro Cc1cc(C)c2c(c1)-c1c(ss/c1=N\c1cccc(C(F)(F)F)c1)C(C)(C)N2 8835960 MTRXNWVRUANFAM-PLRJNAJWSA-N 420.525 7.005 0 40 HKAB CC(C)n1ncc2c(C(=O)N(C)[C@@H](C)c3nc4ccccc4s3)cc(C3CC3)nc21 9533963 OTMOQMUBWWCEII-AWEZNQCLSA-N 419.554 5.333 0 40 HKAB CC(C)c1nn2c3c(nnc2c1-c1ccccc1)C(=O)C[C@H](/C=C/c1ccccc1)C3 10156955 DFZBLHVDTMKLGG-JKIKYLSZSA-N 408.505 5.373 0 40 HKAB CC(=O)c1ccc(C(=O)N(Cc2ccncc2)c2nc3ccc(Cl)cc3s2)cc1 10254309 LDRDOPLKIMNAFA-UHFFFAOYSA-N 421.909 5.394 0 40 HKAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2cc(C)ccc2OC)cc1 11866437 SUEXOMYQSNIDLL-UHFFFAOYSA-N 417.461 5.686 0 40 HKAB biogenic O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccc(Cl)s1 12139013 GGPKQHBKCRAQPH-UHFFFAOYSA-N 410.951 6.434 0 40 HKAB CCc1cccc(/N=c2\oc3c(OC)cccc3cc2S(=O)(=O)c2ccccc2)c1 12437380 UZKVPYMTEAHBLD-IZHYLOQSSA-N 419.502 5.069 0 40 HKAB COc1ccc(C2=C[C@@H](c3ccccc3)[C@H]3CCCC[C@@]34Nc3ccccc3N24)cc1 12656181 VCIWUKDDAJEZBS-JPYHZWLXSA-N 408.545 6.652 0 40 HKAB COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2cc(Cl)cc(Cl)c2)n1 12951091 AONFJKOPISXDTI-UHFFFAOYSA-N 416.091 5.940 0 40 HKAB CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(C)c(C(F)(F)F)c1 12999369 JGSABUWOBSPGJP-UHFFFAOYSA-N 407.417 5.346 0 40 HKAB C[C@H]1CCc2ccccc2N1Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 13096356 IYWBVQHBYYFRLK-AWEZNQCLSA-N 421.953 5.646 0 40 HKAB Cc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(Cl)cc1 13564469 YZNOPUBRDFFIES-UHFFFAOYSA-N 402.881 5.337 0 40 HKAB Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2N=C(O)C[C@@H]3c2ccc(F)cc2)n1 13656007 DFMYLTAWPKKUJY-LJQANCHMSA-N 413.456 5.209 0 40 HKAB CCCCNC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 13686724 YNBMVQMZHKGCNK-UHFFFAOYSA-N 400.522 5.377 0 40 HKAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)n1 14710040 NPSYDNHLKHFZNL-UHFFFAOYSA-N 403.429 5.516 0 40 HKAB Cc1ccc(-c2nn(Cc3ccccc3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C 17082111 RNEGNUSBJYZCFO-UHFFFAOYSA-N 400.953 7.152 0 40 HKAB CC1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)CC1 17092801 IZHSZWPRPHUMKB-AWNIVKPZSA-N 421.610 5.573 0 40 HKAB CCOCc1ccc(C(=O)N2CCC[C@H]2c2cc(-c3ccccc3)cc(C)n2)cc1 19690566 DGECKFDOYHAMLF-VWLOTQADSA-N 400.522 5.571 0 40 HKAB Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)CC(C)C)cc2s1 20894884 GJIAJDHKJUXLNZ-UHFFFAOYSA-N 413.568 5.320 0 40 HKAB CCCCCOc1cccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)c1 21000839 KMFZGAHZBRYKBK-UHFFFAOYSA-N 408.523 5.335 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 30944158 WCCFJGLHGDKCRO-HSZRJFAPSA-N 418.968 5.458 0 40 HKAB O=P(/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)NC1CCCCC1 32690908 ANMCDQHFGWEVEO-ICZBVKINSA-N 420.320 7.662 0 40 HKAB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1CCOc1ccc(Cl)cc1 33737300 AYOHIRHCYCDASQ-UHFFFAOYSA-N 404.293 5.558 0 40 HKAB Cc1cc(C(=O)N2CCCC[C@H]2c2ccccc2)c2cnn(-c3ccccc3F)c2n1 36616616 SDZUPZHXJHVUNZ-QFIPXVFZSA-N 414.484 5.235 0 40 HKAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38849613 GXRWVSSYQIQLMK-OAHLLOKOSA-N 411.760 5.806 0 40 HKAB Cc1ccc([C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)c(C)c1 44901423 FZJQLGVNVVWOIO-FQEVSTJZSA-N 405.563 5.966 0 40 HKAB O=C(NC1CC1)c1cc(Cl)ccc1NC(=O)c1sc2cc(F)ccc2c1Cl 48365324 ABPPMVQRKDJZTO-UHFFFAOYSA-N 423.296 5.492 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccc(-c2cnco2)c1 58406974 NKEWOAZKJREGPV-UHFFFAOYSA-N 414.248 5.864 0 40 HKAB COc1ccc(NC(=O)[C@@H](Cc2ccc(C)cc2)c2nc3ccccc3s2)cc1 67240464 QMNXYXPEIOSPFE-HXUWFJFHSA-N 402.519 5.578 0 40 HKAB COc1cccc(NC2=NC(=O)S/C2=C\c2cccc(OCc3cccnc3)c2)c1 72401150 ZTPJLOKKEJSNSE-MTJSOVHGSA-N 417.490 5.388 0 40 HKAB Cc1ccc(N2C(=O)N(C(=O)c3ccco3)[C@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)cc1 100033500 LBAIYCMVPUHTRZ-FDDCHVKYSA-N 422.868 5.564 0 40 HKAB Cc1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(Cl)cc4)CC(O)=C32)cc1 100426693 WFAQSZPZOCFMGZ-BCHFMIIMSA-N 414.936 7.277 0 40 HKAB Brc1ccc(C2=C[C@@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 101070066 NKRIASDAEXTZRX-NRFANRHFSA-N 402.295 5.855 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1cc(C(F)(F)F)[nH]n1 118926576 CLAGQRWCTZRCME-AQBOUSHGSA-N 408.508 5.836 0 40 HKAB CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 123268713 VTQOHTCWNIBUGQ-FVMXAAKFSA-N 418.706 6.685 0 40 HKAB Cc1c([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n(-c2ccccc2)c1C 222638185 IOCOOTXIXKNTFT-UQDCGMOVSA-N 402.567 5.387 0 40 HKAB CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc(Cl)c(C)c1 223030519 GXQQRYNCEXZUNJ-NRFANRHFSA-N 403.950 5.344 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccc(C)cc1 224122827 BVVPVJGMNIOGFN-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc(C)cc1 224471657 PIAGKOIBDBIINI-UHFFFAOYSA-N 401.506 5.171 0 40 HKAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224763684 IAEAAKUINSGNSY-NRFANRHFSA-N 422.613 5.169 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(Cl)ccc3C)o2)cc1 224908766 JEHKASPVKFIUBV-UHFFFAOYSA-N 418.880 6.231 0 40 HKAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(C)c1C 224989640 BKTLVYKMSNIQKQ-UHFFFAOYSA-N 417.914 5.559 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)CC(C)(C)O2 225305713 JPDZXAAHQDFXQN-DYESRHJHSA-N 411.542 5.313 0 40 HKAB CCCO[C@]1(C(=O)Nc2cc(C)c(OCc3ccccc3)c(C)c2)CCC[C@@H](C)C1 225666843 CCOOSVYCBRWNNG-NIYFSFCBSA-N 409.570 6.196 0 40 HKAB CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1C(F)(F)F 225771701 ZBYBRAIEDAXDCL-UHFFFAOYSA-N 407.432 5.099 0 40 HKAB Cc1cc(N)ccc1NC(=O)/C=C/c1ccc(-c2ccc(Br)cc2F)o1 227146088 CFMFGYCRANTXGW-WEVVVXLNSA-N 415.262 5.391 0 40 HKAB CC1=C2C[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@@H]1[C@@H]2C 252162824 QASFUMOKHFSJGL-AQSYITRHSA-N 411.630 5.002 0 40 HKAB biogenic,in-vitro Cc1ccc(NC(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)cc1NC(=O)NC[C@@H]1C[C@H]2CC[C@H]1C2 254698328 FCHPHCIYHHHYAK-PXQJOHHUSA-N 424.589 5.110 0 40 HKAB CC[C@@H](NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1)c1ccc2c(c1)CCCC2 260951628 YRIHJJINHCOHCJ-RXFWQSSRSA-N 404.598 5.678 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2cc(C)ccc2C)c1 408699791 WGJWWPFDSGADBG-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)S2)cc1 408775549 IEAGIKMNWKHWNL-WLJFKGHSSA-N 410.926 5.762 0 40 HKAB Cc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccc(Cl)c(Cl)c1 408830710 PTRBXFBDYMUCCG-UHFFFAOYSA-N 421.393 6.580 0 40 HKAB COc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1Br 408990614 OFPVLPPZQPLWRT-UHFFFAOYSA-N 419.344 5.494 0 40 HKAB Cc1ccc(SCCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 409184345 WHENONVCFORNRR-UHFFFAOYSA-N 414.423 5.834 0 40 HKAB CC1(C)[C@@H](C(=O)Nc2c(-c3ccccc3)nc3ccccn23)[C@@H]1C=C(Cl)Cl 606422401 WVBGXQZATPUJKA-WMLDXEAASA-N 400.309 5.531 0 40 HKAB O=C(C1=CCCCC1)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 2037845950 IIEZVQUWYARREX-SFHVURJKSA-N 420.944 5.256 0 40 HKAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(-c2cc(Cl)ccc2Cl)o1 848992 ALABLGULBGAEPQ-UHFFFAOYSA-N 415.301 6.629 0 40 HKAB CCc1ccc(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 856958 ACYSLQUQVUDYRR-IBGZPJMESA-N 413.348 6.137 0 40 HKAB C[C@@H]1CCCCN1C(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc12 922168 KSJKJHHOQVRHPB-CQSZACIVSA-N 413.493 5.068 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1 976591 DGYPBJJGTQRZSF-UHFFFAOYSA-N 402.885 5.213 0 40 HKAB CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2 1066086 NNTHCYUBMOKJNN-UHFFFAOYSA-N 424.522 5.513 0 40 HKAB O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1CS(=O)(=O)c1ccccc1 1386032 WKPVVVYQFBIDKY-UHFFFAOYSA-N 410.878 5.291 0 40 HKAB aggregator COc1cc(OC)cc(-n2ccc(=O)c(Cc3c(Cl)cccc3Cl)c2C)c1 1398240 SMBWSVZWPLAJBG-UHFFFAOYSA-N 404.293 5.061 0 40 HKAB COc1cc([C@@H](Nc2cc(C)on2)c2c(C)[nH]c3ccccc23)cc(OC)c1OC 1448689 ZNHBAJAVRCBEQY-JOCHJYFZSA-N 407.470 5.000 0 40 HKAB CCCCOC(=O)COc1ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)coc2c1 1770145 NPJBSHGDWRDTOR-UHFFFAOYSA-N 424.493 5.605 0 40 HKAB CC[C@H](C(=O)Nc1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1Cl)c1ccccc1 2073506 GBRGQROMUWXVMI-NRFANRHFSA-N 420.940 6.341 0 40 HKAB CCc1c(C)sc(NC(=O)c2c(-c3ccccc3)noc2C)c1C(=O)OC(C)C 2503065 MITBEYDONJQPMQ-UHFFFAOYSA-N 412.511 5.400 0 40 HKAB O=C(/C=C/c1ccc2ccccc2c1)Nc1ncc(Cc2ccccc2Cl)s1 2669435 CZVJYUKXUGCEAQ-ZRDIBKRKSA-N 404.922 6.192 0 40 HKAB O=C(Cc1cccc2ccccc12)Nc1scc(-c2ccc(F)cc2)c1C(=O)O 2679618 ABIYXDLWMJXXMP-UHFFFAOYSA-N 405.450 5.587 0 40 HKAB CCOC(=O)c1c(NC(=O)c2csc3c2CCCC3)sc2c1CC[C@@H](C)C2 2708108 GFWCBOPBCCKRRT-GFCCVEGCSA-N 403.569 5.242 0 40 HKAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1cc(Cl)ccc1Cl 3008130 VCTBICZNUOCRMH-UHFFFAOYSA-N 408.285 5.317 0 40 HKAB Cc1c(-c2ccccc2)nn(OCc2c(Cl)cccc2Cl)c1-c1ccccc1 3051250 WSDCWNBPDOELNS-UHFFFAOYSA-N 409.316 6.461 0 40 HKAB O=C1/C(=C/Nc2ccc(Cl)c(Cl)c2)c2ccccc2C(=O)N1Cc1ccccc1 3271766 MEWDXGUZCCSDKK-CPNJWEJPSA-N 423.299 5.629 0 40 HKAB CC[C@H](Oc1ccccc1F)C(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 3655575 VKFAIMDQUQGORZ-IBGZPJMESA-N 417.436 5.599 0 40 HKAB O=C(N/C(=C(\NC(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 3844955 FLXYELUYMMEJHD-QPLCGJKRSA-N 418.496 5.372 0 40 HKAB Cc1ccc(-n2c(SCc3ccccc3F)nc3c([nH]c4ccccc43)c2=O)cc1 4106598 VOXREUQDVBDVEN-UHFFFAOYSA-N 415.493 5.607 0 40 HKAB Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12 4887459 VSUPNIKEXVROFO-UHFFFAOYSA-N 403.529 7.236 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccccc2C)cc1 4901762 TUZYWAWAGISLEF-UHFFFAOYSA-N 414.505 5.240 0 40 HKAB COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)c(OC)c1 5163658 WHZYEDGTWVFQTK-ZTCOLXNVSA-N 415.961 5.226 0 40 HKAB CCSc1cccc(C(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)c1 5241174 SCPZLSCHNXKPOA-UHFFFAOYSA-N 400.525 5.192 0 40 HKAB Cc1cccc2sc(N(Cc3ccccn3)C(=O)CCOc3ccccc3)nc12 5264817 PBUXNKJECRSXDN-UHFFFAOYSA-N 403.507 5.002 0 40 HKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2ccc(Cl)cc2)cs1 5863146 FNDGCSLGBHIIEJ-UHFFFAOYSA-N 402.972 6.390 0 40 HKAB CCOc1ccc(O)c(C(=O)CCCCCCC(=O)c2cc(OCC)ccc2O)c1 5953526 KFUAJKSVRIIVGE-UHFFFAOYSA-N 414.498 5.301 0 40 HKAB O=c1c2ccccc2nc(SCc2ccccc2Cl)n1Cc1ccc(F)cc1 6495727 XZORATFBIIJLQK-UHFFFAOYSA-N 410.901 5.530 0 40 HKAB Cc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)cc1C 6546787 HBMUYWYLPOHWDX-UHFFFAOYSA-N 421.569 6.997 0 40 HKAB COc1ccc(-c2cc(NC(=O)Cc3cccc(C(F)(F)F)c3)ccc2OC)cc1 7638980 OZLXRTXDHIFMCX-UHFFFAOYSA-N 415.411 5.571 0 40 HKAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7882019 HZIJXEPJMUPPFB-OAHLLOKOSA-N 405.325 5.110 0 40 HKAB O=C(NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)[C@H]1Cc2ccccc2O1 7961920 YMGPOQQBESXWIT-NTKDMRAZSA-N 416.908 5.073 0 40 HKAB Clc1snnc1CSc1nnc(Cc2cccs2)n1C1CCCCC1 8156514 RFIMNZKUHWGUMG-UHFFFAOYSA-N 412.009 5.233 0 40 HKAB CCOc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F 8254175 BJWWKVIKZJRURO-UHFFFAOYSA-N 417.883 5.886 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc2c(c1)CCCC2 9193333 GOXKWQSTLGEKIU-UHFFFAOYSA-N 420.582 5.191 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)CCc1ccc(C(C)C)cc1 10434287 JQCBZTHXYYBSKM-UHFFFAOYSA-N 403.591 6.982 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(Cl)cc2)OC3=O)cc1C 11689833 WMGRTKLFMHNQKG-JOCHJYFZSA-N 405.881 5.663 0 40 HKAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)Cc1c(Cl)cccc1Cl 12599855 FNGJGPPNHDHUKP-DEYYWGMASA-N 401.330 5.083 0 40 HKAB CCC(=O)N(c1nnc(S[C@H](C(=O)c2ccccc2)c2ccccc2)s1)C1CC1 12915344 NJYIWORMXRNEHE-FQEVSTJZSA-N 423.563 5.160 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 13942355 MHFRLLDCECBMIV-DCFHFQCYSA-N 422.528 5.868 0 40 HKAB CSc1ccc(Cl)c(C(=O)Nc2nc(-c3c(C)[nH]c4ccccc34)cs2)c1 14595501 LNXUZSAOLFHBLN-UHFFFAOYSA-N 413.955 6.227 0 40 HKAB Clc1cc2c(c(CSc3nc4cc(Cl)c5cccnc5c4o3)c1)OCOC2 15083418 UVZHFHGDWYZZMQ-UHFFFAOYSA-N 419.289 5.842 0 40 HKAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2c1 16321441 MTGQGKQYCCKKKT-UHFFFAOYSA-N 411.870 5.420 0 40 HKAB CCOc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 16780484 RPCNDQUVQQIIKS-UHFFFAOYSA-N 424.547 5.471 0 40 HKAB CCc1c(-c2ccc(OC)cc2)nn(Cc2cccc(C)c2)c1-c1ccc(OC)cc1 17089291 UWKMHDUJQCEYMK-UHFFFAOYSA-N 412.533 6.153 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc(F)c3)o2)cc1Cl 17090143 ZQDPMFPAGSWNKB-CSKARUKUSA-N 414.889 5.574 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCCc1ccc(Cl)cc1 20042097 XUIBQUKMFWVNRY-UHFFFAOYSA-N 402.774 5.629 0 40 HKAB O=C(Nc1nc(CN2CCCCC2)cs1)c1sc2cc(F)ccc2c1Cl 22289512 YGFSGHGZOPFJGX-UHFFFAOYSA-N 409.939 5.389 0 40 HKAB O=C(Nc1cccc(CNC[C@H](c2ccco2)N2CCCC2)c1)c1ccc(Cl)cc1 22787341 CFLBFGKEICIKPG-JOCHJYFZSA-N 423.944 5.112 0 40 HKAB Cc1cc(C)cc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)c1 27582697 GKDNNFJDRWKFBF-QHCPKHFHSA-N 414.977 5.069 0 40 HKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2cc(-c3ccc(Br)cc3)no2)c1 27747282 HMBJLFJVJIOCJV-AWEZNQCLSA-N 415.287 5.127 0 40 HKAB Cc1c(C(=O)NCCc2c[nH]c3ccccc23)sc2nc(C(F)(F)F)ccc12 29738251 URWWULNSGWEZPK-UHFFFAOYSA-N 403.429 5.077 0 40 HKAB CC(=O)N(c1nc(CSc2cc(C)nc(C)n2)cs1)c1c(C)cc(C)cc1C 32782119 YXHCYKUMAQSCTA-UHFFFAOYSA-N 412.584 5.452 0 40 HKAB O=C(c1c(O)c(Cl)cc(Cl)c1Cl)N1CCC(c2nc3ccccc3[nH]2)CC1 32914400 CJHRLXYIZMPYOO-UHFFFAOYSA-N 424.715 5.249 0 40 HKAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1cccnc1 37868564 OHFRJZYCAMAOTN-BTYSJIOQSA-N 409.470 5.287 0 40 HKAB Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1Cl 38849666 CPMYEZRLEDNFBR-OAHLLOKOSA-N 411.760 5.806 0 40 HKAB Cc1cccc(-c2csc3c(=O)[nH]c(N4CCC(Cc5ccccc5)CC4)nc23)c1 48985952 FUBPUSWIBHXXQL-UHFFFAOYSA-N 415.562 5.419 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 49708037 YEYCQJVCAMFWCO-RNWIMVDMSA-N 414.674 7.569 0 40 HKAB biogenic Cc1nc(S(=O)(=O)[C@@H](C)c2ccc(OC(F)F)cc2)n(C2CCCCC2)c1C 58002865 DCVLAMDBBWJXNJ-HNNXBMFYSA-N 412.502 5.141 0 40 HKAB COc1ccc(OC)c([C@H]2CCCN2Cc2ccc(OCc3ccncc3)cc2)c1 58166233 QCPBWWRLIAKLLI-XMMPIXPASA-N 404.510 5.015 0 40 HKAB COc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)ccc1OCc1ccccc1 59195137 YFTWHSPWQMWOPU-NDENLUEZSA-N 419.864 5.272 0 40 HKAB C[S@](=O)c1ccc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)cc1 83990283 GTIBISMINCZDHU-MUUNZHRXSA-N 403.425 5.362 0 40 HKAB Cc1nc(CN(C(=O)c2ccc(C(F)(F)F)nc2C)c2ccc(F)cc2)cs1 84028713 KBYNKYGAKNYCLH-UHFFFAOYSA-N 409.408 5.160 0 40 HKAB Cc1ccc([C@H](c2ccccn2)N(C)Cc2cccc(SC(=O)N(C)C)c2)cc1 95964444 KWLBDSFGWMRXKZ-HSZRJFAPSA-N 405.567 5.385 0 40 HKAB Cc1ncc(CN2CCCCC2)c2cc(-c3cc(=O)oc4cc5c(cc34)CCC5)oc12 96116463 ODGOXZVVDBWWQX-UHFFFAOYSA-N 414.505 5.384 0 40 HKAB biogenic O=C(Nc1ccccc1Cl)c1ccnn1-c1ccc2ccc(-c3ccccc3)cn12 96155241 PHFLDZZFRAURLE-UHFFFAOYSA-N 412.880 5.698 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 96627171 KAYJTSMNQCQASC-HXUWFJFHSA-N 411.977 5.181 0 40 HKAB CCCCn1cnc2c(c1=N)[C@@H](c1ccc(OC)cc1)c1ccc3ccccc3c1O2 101121750 WNOYCLKGHAVKIU-QFIPXVFZSA-N 411.505 5.610 0 40 HKAB COc1cccc(C2=NN3[C@H](c4ccc(SC)cc4)Oc4ccccc4[C@H]3C2)c1 102756700 PSQQZIFLRYPCME-VWNXMTODSA-N 402.519 5.659 0 40 HKAB Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)s2)cc1 195529911 PSODWQFXHRFFAD-WBTNSWJXSA-N 404.605 5.012 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219349807 UMVABLHHTTYSCU-DHIUTWEWSA-N 403.522 5.724 0 40 HKAB CCOC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 219770020 VNWRNZZEJJLVPT-UHFFFAOYSA-N 409.869 5.348 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccccc1Cl 224133409 ZNGRSDLTEWULDQ-UHFFFAOYSA-N 409.913 6.303 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccc2ccccc2c1 224640589 FRUCHHTWRRJAEK-UHFFFAOYSA-N 415.464 6.209 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2)o1 224907725 FXLMEGYJSGINTQ-UHFFFAOYSA-N 412.489 6.140 0 40 HKAB O=C(O)[C@@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1 225109865 AXIATKOFSVNGMN-AREMUKBSSA-N 410.469 6.221 0 40 HKAB FC(F)(F)c1ccc(NC(=S)NCCSCc2cccc(Cl)c2)cc1 225299732 OJFOURBJWISORL-UHFFFAOYSA-N 404.910 5.579 0 40 HKAB CC(=O)c1cccc(NC(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)c1 225832422 AVNFSTCDEVEOHZ-UHFFFAOYSA-N 411.461 5.178 0 40 HKAB CCOC(=O)c1cccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)c1C 225863992 DOQWIHGPESVNBI-UHFFFAOYSA-N 424.610 5.712 0 40 HKAB CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1ccccc1F 408605956 HUFVZDIFFGOENM-UHFFFAOYSA-N 403.856 6.208 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(SC)c2)cc1 408674732 BRKBWAUGXOTKGM-UHFFFAOYSA-N 416.502 5.158 0 40 HKAB Cc1ccc(COc2c(Cl)cc(/C=C3\SC(=O)N(C)C3=O)cc2Cl)cc1 408817206 MVWSBKWIAOOWNI-SXGWCWSVSA-N 408.306 5.547 0 40 HKAB Cc1c(Cl)cccc1NCc1c(OCc2ccc(F)cc2)ccc2ccccc12 409131290 IPURDDKEIUJAOD-UHFFFAOYSA-N 405.900 7.132 0 40 HKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccc(C)cc3C)cc2Cl)c1 409260677 UMDDCYNFCGTOGX-UHFFFAOYSA-N 408.929 5.895 0 40 HKAB Cc1cccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3ccccc3)o2)c1 865454 FQQFXQUPQBRZMN-UHFFFAOYSA-N 404.491 5.095 0 40 HKAB CCc1ccccc1NC(=O)c1cc(-c2cccc(OC)c2)nc2c(C)cc(C)cc12 2079761 KPYWZIAKIAJPBT-UHFFFAOYSA-N 410.517 6.342 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(F)cc3)c2C(N)=O)C1 2084739 VNONTKBDSDVMQH-BLMSOEDDSA-N 414.546 5.179 0 40 HKAB CCc1cccc(C)c1N(C(=O)COc1ccc(Cl)cc1Cl)[C@H](C)COC 2178944 LNTUPAFRKLUDEZ-OAHLLOKOSA-N 410.341 5.311 0 40 HKAB COc1ccc([C@H](O)P(=O)(OC2CCCCC2)OC2CCCCC2)c(OC)c1 2394088 MKMUALGZFHNXJB-OAQYLSRUSA-N 412.463 5.586 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2)o1 2418427 CBMKXFNDBVSCJX-CQSZACIVSA-N 412.942 6.240 0 40 HKAB COc1ccc(C)cc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 2714972 LWDFBZOLAPHCBK-UHFFFAOYSA-N 420.516 6.457 0 40 HKAB aggregator O=C1N[C@H](c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)Nc2ccccc21 3239748 KOOJCVSVLWZYLG-XMMPIXPASA-N 406.445 5.140 0 40 HKAB O=C(COC(=O)c1ccccc1Cc1ccccc1)c1ccccc1Br 3256141 YWLLDVUQMLRYTI-UHFFFAOYSA-N 409.279 5.080 0 40 HKAB Cc1nc(SCC(=O)Nc2cc(Cl)ccc2C)c2c3c(sc2n1)CCC3 3274754 JJDJRZFPQMZFSR-UHFFFAOYSA-N 403.960 5.181 0 40 HKAB c1ccc(-c2cnc(CSc3nc(-c4cccs4)nc4ccccc34)o2)cc1 3443052 GEGDIPKCWUSIMD-UHFFFAOYSA-N 401.516 6.306 0 40 HKAB O=[S@](Cc1cc(Sc2ccccc2)nc(-c2ccccc2)n1)c1ccccc1 4060082 GFQBXMRQGFENBF-NDEPHWFRSA-N 402.544 5.603 0 40 HKAB COc1ccccc1/C=C1\CCC[C@@H]2C1=NN(c1ccccc1)[C@@H]2c1ccccc1OC 4257767 XBAGCNXOKBXQSH-WQWWSXTHSA-N 424.544 6.505 0 40 HKAB COCCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccc(C)c1 4444678 ZMSGXQAJFSXDBH-UHFFFAOYSA-N 408.354 5.499 0 40 HKAB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1cccc(Br)c1 4610867 OSQINRYEDAPWAW-UHFFFAOYSA-N 403.103 5.554 0 40 HKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N1CCc2ccccc2C1 4917182 OQDGCXUXIPLRLS-OUKQBFOZSA-N 411.530 5.199 0 40 HKAB COc1ccc(-n2c(SCc3ccccc3F)nnc2-c2cccc(C)c2)cc1 5484446 BZJCPTPBRBYPNJ-UHFFFAOYSA-N 405.498 5.683 0 40 HKAB COc1ccccc1-c1c(-c2ccc(OCc3ccccc3F)cc2O)n[nH]c1C 5926541 WVWBIFLINMOEBB-UHFFFAOYSA-N 404.441 5.484 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@H](Cc2ccccc2)c2ccccc2)cc1 6350394 SMPQYTWGGCRLFI-JOCHJYFZSA-N 404.535 5.134 0 40 HKAB Cc1nn(C2CCCCC2)c2c1[C@@H](c1ccc(Br)cc1)SCC(=O)N2 6500486 CPELZZOXSNTRSP-GOSISDBHSA-N 420.376 5.234 0 40 HKAB Cc1cccc(N2C(=O)C3=C(C2=O)[C@H](c2cccc(F)c2)Nc2ccccc2S3)c1 7496297 TVJGZKQFVYSZIC-NRFANRHFSA-N 416.477 5.221 0 40 HKAB CCn1c(SCc2cc(C)on2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 7938707 ZZVUFECPJNZVSL-UHFFFAOYSA-N 415.515 5.181 0 40 HKAB CCOc1ccc(Oc2ccccc2NC(=O)CCc2nc3ccccc3o2)cc1 8231700 OONDKSKLUYOSKG-UHFFFAOYSA-N 402.450 5.590 0 40 HKAB COc1ccccc1-c1nnc(S[C@H](c2ccccc2)c2ccc(Cl)cc2)o1 8265445 OQQPSVCAHLJBLQ-HXUWFJFHSA-N 408.910 6.280 0 40 HKAB Cc1ccccc1CN1CCC(C(=O)Nc2ccccc2Oc2ccccc2)CC1 9062966 FNQGVIUZUFXASK-UHFFFAOYSA-N 400.522 5.638 0 40 HKAB COc1ccc(NC(=O)[C@@H](Nc2ccc3oc(C)nc3c2)c2ccccc2)cc1Cl 9646882 XODFUARRZZZZSR-QFIPXVFZSA-N 421.884 5.590 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)cc1 10212739 OOLWYMUIAPFNOY-UHFFFAOYSA-N 418.497 5.113 0 40 HKAB CC(=O)c1ccc(C(=O)N(Cc2ccncc2)c2nc3c(C)c(C)ccc3s2)cc1 10254357 QTWPYDYSVRIGRC-UHFFFAOYSA-N 415.518 5.358 0 40 HKAB CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1OCc1ccc(F)cc1 10286621 BSHMOMNUGAMEHQ-UHFFFAOYSA-N 406.482 5.287 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)cc1 10363562 GJAMFOWKTAKZRF-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB O=C(C[C@@H](Sc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1)c1ccccc1 12340677 BFMYYFNJXDQWFP-OAQYLSRUSA-N 421.776 7.753 0 40 HKAB Cc1nc(CSc2ccc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cc2)cs1 12730473 RQMIKVPXVFOAEP-GJZGRUSLSA-N 414.518 5.595 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccc(C)c(C)c3)C[C@@H]21 13036516 VJLIFRAZSSOQHT-XUZZJYLKSA-N 404.535 6.006 0 40 HKAB Cc1c(Cl)cccc1-n1c(-c2ccncc2)nn(CN2CCC[C@@H](C)C2)c1=S 13097637 KJXGDTZRDLTGEP-OAHLLOKOSA-N 413.978 5.117 0 40 HKAB COc1ccccc1C(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccc(C)c(C)c1 13617648 HJEIGWSSROXOMO-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB CCc1ccc(NC(=O)c2c(-c3ccc(OC)cc3)oc3ccc(OC)cc23)cc1 15880461 QZEBXEHHDWAHBB-UHFFFAOYSA-N 401.462 5.932 0 40 HKAB biogenic O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cccc(Cl)c1Cl 16525127 HJDWSKSQFAYVMG-UHFFFAOYSA-N 416.695 6.442 0 40 HKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)[C@@H](C)c3ccccc3)c2)cc1 19691334 BWPVRGDUYUQBKB-DFBJGRDBSA-N 400.522 5.533 0 40 HKAB Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@H]2CCCN2Cc2ccnn2C)n1 19691985 SGNQONKIVVCZBX-JOCHJYFZSA-N 414.475 5.070 0 40 HKAB CCCOc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20347253 XOEWHNVUZACYJY-UHFFFAOYSA-N 414.549 5.023 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(OCc2ccccc2Cl)c1 22258116 XMZUAZXCJWFWOC-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB CCN(C(=O)COc1ccc(C)cc1)[C@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993030 CXHYMBGEWVVTFK-HHHXNRCGSA-N 412.533 5.802 0 40 HKAB Cc1ccc(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C2=NCCCS2)cc1C 28527672 DZODNVDKRDWRJJ-UHFFFAOYSA-N 408.354 6.142 0 40 HKAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1sc2ccccc2c1Cl 32895253 PYDIPOKGMMBYLM-UHFFFAOYSA-N 405.857 5.572 0 40 HKAB O=C1S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 33293771 QVOQMTMVDHSFFM-AWNIVKPZSA-N 400.670 5.593 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1OCC 36092690 MTMTVJTXRVGVQF-PMACEKPBSA-N 424.585 5.207 0 40 HKAB CC(C)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 38833716 BLUPOQSSEDUAGQ-UHFFFAOYSA-N 405.369 5.968 0 40 HKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCC[C@@H]1c1ccncc1 42798092 ZJFFQEHOCAZWNN-QGZVFWFLSA-N 417.456 5.510 0 40 HKAB Cc1ccc(-n2c(-c3ccc(Br)cc3)cnc2SCC(C)C)cc1 44085564 UXZMERCDNIDFTG-UHFFFAOYSA-N 401.373 6.358 0 40 HKAB CCCCCn1nc(C(=O)N2CC[C@@H](C)Sc3ccccc32)c2ccccc2c1=O 45574929 CGXHGEKLQGINTQ-QGZVFWFLSA-N 421.566 5.118 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1nc(-c2ccc(Cl)cc2)cs1 57315861 BZKWLHQAVIVPDT-ACCUITESSA-N 406.894 6.375 0 40 HKAB O=C(Nc1nnc(-c2ccsc2)s1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 58394120 WJTRUKNMMYYQNI-UHFFFAOYSA-N 423.363 5.557 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](NCc1ccccc1)c1ccccc1 58451775 IPDLBPOODBNKIX-FQEVSTJZSA-N 418.846 5.828 0 40 HKAB O=C(O)c1ccccc1C(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1 59417537 AGVOLOARHAYWSS-UHFFFAOYSA-N 420.515 5.539 0 40 HKAB O=c1c2sccc2nc(SCc2ccc(F)cc2)n1Cc1ccc(F)cc1 71327571 HSFRSKLREUIGAD-UHFFFAOYSA-N 400.475 5.077 0 40 HKAB CC[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(OC(F)F)c2ncccc12 78648533 RAVUMXPMUFKXLO-OAHLLOKOSA-N 403.454 5.439 0 40 HKAB Cc1noc([C@H](C)Sc2nnc(-c3cc4c(s3)CC[C@H](C(C)(C)C)C4)o2)n1 84286534 RTWGTSSMGXIWBV-GWCFXTLKSA-N 404.561 5.494 0 40 HKAB O=C(Nc1c(NCc2ccccc2)c2ccccc2oc1=O)c1ccc(Cl)cc1 101094531 BUQIDULVXAEIPJ-UHFFFAOYSA-N 404.853 5.311 0 40 HKAB C[C@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2c2c1c1ccccc1n2Cc1ccccc1 102921298 AONNCUFLRUFGMU-FKRCVWNDSA-N 420.512 5.470 0 40 HKAB CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccnc1 102970606 ROBYOJANPYWOPL-DEOSSOPVSA-N 403.526 6.064 0 40 HKAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1cccc(Cl)c1 224152066 LJRRTLJUQLMELR-UHFFFAOYSA-N 424.884 5.138 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)c1 224230885 LMPCFRVSMMBKHP-PKTZIBPZSA-N 414.534 5.010 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccc(C)cc1 224469393 CIEILUSEDDBGEW-UHFFFAOYSA-N 407.535 5.947 0 40 HKAB CCOc1ccc(C(=O)NCc2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 224518556 NDXKHLHXIWCJPI-UHFFFAOYSA-N 417.549 5.892 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C)c(Cl)c3)o2)c1 224899978 NMRHGHOTPFVAGI-UHFFFAOYSA-N 418.880 6.231 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccc(CN4CCCCCC4)cc3)ccc21 225168892 UGBBYBFCGGSQFA-UHFFFAOYSA-N 423.582 5.272 0 40 HKAB Cc1ccc(SCCCNC(=S)Nc2ccc(Br)cc2F)cc1 225588027 JQDGQUFIMRFSIQ-UHFFFAOYSA-N 413.381 5.365 0 40 HKAB Cc1cccc(-c2noc(CCC(=O)N(Cc3ccccc3)Cc3ccccc3)n2)c1 225814268 GOPMHRAUZATYPJ-UHFFFAOYSA-N 411.505 5.207 0 40 HKAB Cc1cc(Nc2nccs2)cc([C@H]2CCN(Cc3cccc4ncccc34)C2)n1 257254050 KBIRNWVUMIDUSV-SFHVURJKSA-N 401.539 5.128 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)c1cc(Cl)ccc1OCc1ccccc1 408585187 CLASMGWEPMCLRG-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 408681772 SPUOZRPJCVQHNN-LJQANCHMSA-N 412.382 5.509 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(F)cc2)c(C)c1 408696573 ATVFMAMANYPJBP-UHFFFAOYSA-N 414.484 5.559 0 40 HKAB CCCCCCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OC 408983213 GFZUXMZCZCFQPC-HMMYKYKNSA-N 409.482 5.007 0 40 HKAB COc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1ccccc1Cl 409198654 JEDUKKWBKDTODR-UHFFFAOYSA-N 423.965 5.661 0 40 HKAB Cc1cc(O)nc2cc(NC(=O)C[C@@H](c3ccc(Cl)cc3)n3cccc3)ccc12 524734122 ZDIDNPZKSVDHDE-NRFANRHFSA-N 405.885 5.322 0 40 HKAB O=C(Nc1cccc(F)c1)c1cc(-c2ccccc2)nc2ccc(Br)cc12 685726 CXYYBOURGIAOLT-UHFFFAOYSA-N 421.269 6.056 0 40 HKAB Cc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 851230 XHPRWTIKVBPOQE-JWGURIENSA-N 418.562 5.764 0 40 HKAB CCOC(=O)c1cccc(/N=c2\cc(-c3ccc(OC)cc3)oc3ccc(C)cc23)c1 1912113 HCRUZHBFDOZYAE-SLEBQGDGSA-N 413.473 5.826 0 40 HKAB CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1Cl 2177497 NWLIYNWTXQKZHU-OVVICAPSSA-N 401.937 6.458 0 40 HKAB CCCCCCSc1nc2c(c(=O)n1CCC)C1(CCCC1)Cc1ccccc1-2 2249377 DWRIBDBSPISZJT-UHFFFAOYSA-N 410.627 6.361 0 40 HKAB COc1ccccc1[C@H](CCN[C@@H](C)c1cccs1)c1ccc(OC(C)C)cc1 2256919 MOHXSJOGIDJNSF-SIKLNZKXSA-N 409.595 6.417 0 40 HKAB CCOc1ccc(C2=C(C)SC3=NNC(c4c(Cl)cccc4Cl)=CN32)cc1 2271795 VXICFTMMCPJXMK-UHFFFAOYSA-N 418.349 6.002 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 2285209 YDRNQSDPFGZELE-INIZCTEOSA-N 400.569 5.047 0 40 HKAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1S(=O)(=O)Cc1ccccc1 2288348 CIHIAKVQSWLYPE-RUZDIDTESA-N 405.563 5.511 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@@H]2C)cc1 2624015 YDLLRQNQVBCBQU-FXAWDEMLSA-N 421.570 5.131 0 40 HKAB Cc1ccc(-c2csc3ncnc(Nc4ccc(Cl)c(C(F)(F)F)c4)c23)cc1 2888983 OXDLJHGXMAVVAB-UHFFFAOYSA-N 419.859 7.083 0 40 HKAB Cc1cc(OC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)ccc1C(C)C 3341798 IWVFCBOXVXWDGH-UHFFFAOYSA-N 410.966 7.283 0 40 HKAB CCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)cc1 3667546 WYBRIARTJRDHBR-QHCPKHFHSA-N 424.903 6.429 0 40 HKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C(C(=O)c1ccccc1)C(=O)c1ccccc1 3846297 MEJYXHVXOXPRNY-YUXAGFNASA-N 406.522 5.372 0 40 HKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 4073975 KYOFIJXMVNQYFC-MEVQFFCQSA-N 412.702 8.233 0 40 HKAB biogenic CC(C)(C)c1ccc(C2=N/C(=C\c3ccccc3OCc3ccccc3)C(=O)O2)cc1 4535538 RSTBZLHYQIIQGH-QJOMJCCJSA-N 411.501 5.908 0 40 HKAB CN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 4681513 TVTVMOSTCUXKIN-UHFFFAOYSA-N 414.549 5.350 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1Br 4749082 XKBPAUGZXYRROF-UHFFFAOYSA-N 408.295 5.671 0 40 HKAB O=C(c1cc2ccccc2oc1=O)N(CCc1ccccc1)Cc1ccc(Cl)cc1 4935191 DOQZPWVMIRAZHF-UHFFFAOYSA-N 417.892 5.332 0 40 HKAB COc1ccc(/C=C2/CCn3c2nc(=O)c2ccccc23)cc1OCc1ccc(C)cc1 6150988 LRNPHDLWCOQHNE-QNGOZBTKSA-N 424.500 5.237 0 40 HKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 8041281 PNPLZXIAIUWVPC-JOCHJYFZSA-N 407.897 5.676 0 40 HKAB COc1cc(CNCc2ccccc2)cc(Cl)c1OCc1ccccc1Cl 8470427 DNGIFKZVSSVCCB-UHFFFAOYSA-N 402.321 5.871 0 40 HKAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 9226671 AWSUWDCLDQASFD-MRXNPFEDSA-N 414.933 5.151 0 40 HKAB COc1ccc(/C=C(/C(=O)NCCSCc2ccccc2F)c2ccccc2)cc1 10280400 KEJSJOAWVUCJRW-HAVVHWLPSA-N 421.537 5.425 0 40 HKAB Cc1ccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C(F)(F)F)nn23)cc1 10343822 IBGBWALRSOBEGR-UHFFFAOYSA-N 416.834 6.429 0 40 HKAB Cc1ccoc1C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 11689870 DEHYKUUVYKLQAR-UHFFFAOYSA-N 400.809 5.560 0 40 HKAB C[C@@H](Nc1ncc(-c2cccs2)c(-c2nccs2)n1)c1ccc2c(c1)OCCO2 12220843 JDWXQOZZSBDLGQ-CYBMUJFWSA-N 422.535 5.273 0 40 HKAB Cc1cc(OCC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(C(C)C)cc1Cl 12578873 HBSRIDDZIQZHJM-FQEVSTJZSA-N 411.933 5.391 0 40 HKAB CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3oc4ccc(F)cc4c3C)n2)cc1 12621944 ULDXFQJNWDYVKV-CYBMUJFWSA-N 408.498 6.770 0 40 HKAB Cc1c(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)oc2ccc(Cl)cc12 12679559 ULZVGGPJMIHLCO-GFCCVEGCSA-N 403.935 5.335 0 40 HKAB CC1(C)Cc2c(cnn2Cc2cccc(Cl)c2)[C@@H](NC(=O)Cc2cccs2)C1 13992453 QCZFYNYFEZHSSK-IBGZPJMESA-N 413.974 5.019 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(C(=O)c4cccc(OC)c4)c(C)c3c2)cc1 15729485 GTAGUFJLHWXPJG-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB biogenic S=C1NC2=C(CSC/C2=C\c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1 16958668 CQMQYXXDMVGBTN-MOVXZBDNSA-N 419.402 5.597 0 40 HKAB Cc1ccsc1CN1CCC(c2nc(NC(C)C)ncc2-c2cccnc2)CC1 19238613 BFROZJZDYXQZMA-UHFFFAOYSA-N 407.587 5.108 0 40 HKAB CCOP(=O)(OCC)[C@H](/C=C(\Cl)c1ccc(Cl)c(Cl)c1)N(C)C 19593827 QSORDAJBLZRDQT-VSKPTYQZSA-N 400.670 5.727 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 19890858 KFIFVJZALLPWMW-UHFFFAOYSA-N 423.560 5.066 0 40 HKAB CC(C)c1ccc([C@@H]2N=C(Nc3ccccc3)c3cnn(-c4ccccc4)c3N2)cc1 20799575 MOGGZFCHBUZSJR-XMMPIXPASA-N 407.521 5.979 0 40 HKAB COC(=O)c1occc1CSc1nnc(-c2ccccc2F)n1-c1ccc(C)cc1 24966704 ATKHGAPWFSHINK-UHFFFAOYSA-N 423.469 5.054 0 40 HKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N1CCC[C@H]1c1ccncc1 42798096 ZJFFQEHOCAZWNN-KRWDZBQOSA-N 417.456 5.510 0 40 HKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc(Br)cc3)c2c1 46086629 CIGFXTKCCFWFOO-UHFFFAOYSA-N 402.288 5.935 0 40 HKAB O=C(Nc1cccc(COC[C@H]2CCCCO2)c1)N1CCC[C@@H]1c1ccsc1 47627397 NRCAOKMTUMDDNM-NHCUHLMSSA-N 400.544 5.203 0 40 HKAB O=C(CCCc1ccc(F)cc1)N1CCC[C@H]1c1cccc(Nc2ccc(F)cn2)n1 72375641 ICFZCYDBUDHOAW-NRFANRHFSA-N 422.479 5.185 0 40 HKAB Cc1c(C(=O)Oc2ccc(Cl)cc2C(=O)O)sc2nc(C(F)(F)F)ccc12 84068079 ODYMNLLTCXXAFZ-UHFFFAOYSA-N 415.776 5.194 0 40 HKAB O=C(Nc1nnc(C2CC2)s1)c1sc2cc(C(F)(F)F)ccc2c1Cl 95948822 OCKRMZITFBUZCQ-UHFFFAOYSA-N 403.838 5.555 0 40 HKAB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(F)cc4)C3=C(O)C2)cc1 100424636 IWRPQRDPBCLUKE-QYBDOPJKSA-N 414.480 6.463 0 40 HKAB CCOc1c(Br)cc(CNc2ccc(Cl)c(Cl)c2)cc1OC 106956974 SMJMXRJYBIFTIH-UHFFFAOYSA-N 405.119 5.775 0 40 HKAB CC1=CO[C@@]2(CC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 118936401 WKIREOBBYBNDMP-JMJFWVGOSA-N 414.630 6.062 0 40 HKAB O=C(Nc1cccc(F)c1)c1cc(Br)ccc1OCc1ccccc1 166287005 ZDPCCYMAGFTZIO-UHFFFAOYSA-N 400.247 5.420 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1CCc1ccccc1)CC(C)(C)O2 219006051 HFIARGUJFUNDER-DEOSSOPVSA-N 415.533 5.513 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccc2O1 222993479 IDIZLLXLEWVGEU-FXAWDEMLSA-N 415.961 5.923 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 223031903 UEROSWIWHSFTFY-WOJBJXKFSA-N 401.934 5.533 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)cc1 224195881 KXYYIEHMXZGZRZ-DHIUTWEWSA-N 402.567 5.320 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccccc1C 224372998 DBDMWGLGNBMRHN-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1cccc(Cl)c1 224525870 FZTZWLLSGCJJCW-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)c1 224846643 DBVYKGBHJPZPAY-UHFFFAOYSA-N 424.806 5.594 0 40 HKAB CC(C)C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccccc1 225583548 LXKXGNHQJDIJHL-QHCPKHFHSA-N 416.968 5.595 0 40 HKAB Nc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(Cl)c1 227148182 MZHGWLULDSFOMQ-RMKNXTFCSA-N 407.684 6.141 0 40 HKAB CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)CC(C)(C)C)CC1 257251866 JSPBEZJXEYLDKW-UHFFFAOYSA-N 420.597 5.077 0 40 HKAB Cc1cccc(CNC(=S)c2cccc(OCc3c(Cl)cccc3Cl)c2)c1 408574778 MROFDKXXPJZPDT-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C(C)C 408680634 OMGUJHNVAGLTEV-UHFFFAOYSA-N 409.551 5.210 0 40 HKAB O=C(Nc1ccccc1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 408698435 NVLTUBSYWXLHMB-UHFFFAOYSA-N 409.276 5.493 0 40 HKAB O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1cc(F)ccc1F 408713395 WMEIRJCTTWFSLW-UHFFFAOYSA-N 400.450 5.058 0 40 HKAB COc1cc(-c2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1Cl 409192593 YYTKKSXUTBGTNL-UHFFFAOYSA-N 416.329 6.858 0 40 HKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1C 409375640 NKEYSBNREQOOTJ-UHFFFAOYSA-N 418.537 5.558 0 40 HKAB CC(C)C[C@@H](C(=O)N1CCc2[nH]c3ccc(OC(F)(F)F)cc3c2C1)n1cccc1 575444043 VUQXVPRUBAMODX-FQEVSTJZSA-N 419.447 5.040 0 40 HKAB CCOc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccccc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264779 MGWJZHPSYFIFTG-BESBDSHLSA-N 410.510 5.036 0 40 HKAB Cc1cnc(Nc2cc(C3CCN(C(=O)/C=C/c4ccccc4)CC3)ccn2)s1 585292853 PBQREVWMSQUCRT-BQYQJAHWSA-N 404.539 5.010 0 40 HKAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)C1 648906 WWSKJQMUOLMYHS-VOIUYBSRSA-N 424.495 5.375 0 40 HKAB CCn1cc([C@H](C)NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)c(C)n1 655207 FABBVKOULJTHFS-LBPRGKRZSA-N 422.312 5.181 0 40 HKAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 688887 WTPQJOKLMUGDKP-QGZVFWFLSA-N 417.328 5.369 0 40 HKAB C[C@H]1Cc2ccccc2N1C(=O)CSc1ccccc1NC(=O)c1ccc(F)cc1 929803 MMRYWFCNPDYNRU-INIZCTEOSA-N 420.509 5.148 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1cc(-c2cccs2)nc2ccccc12 990430 DGRPCUIMPDWNJE-UHFFFAOYSA-N 409.308 5.978 0 40 HKAB Cc1cccc(C)c1NC(=O)[C@@H](c1ccc(Cl)cc1)N1C(=O)C[C@H]1c1ccco1 1071237 JWAWTHJEYZWRFR-PGRDOPGGSA-N 408.885 5.203 0 40 HKAB CCOc1ccc2nc(Cl)c(CN(Cc3ccc(OC)cc3)C(=O)C3CC3)cc2c1 1367869 PPCRESHUICHQIY-UHFFFAOYSA-N 424.928 5.234 0 40 HKAB C[C@H]1CCCCN1C(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@@H](C)C3 1377305 IXWLNZLYENNOTA-KGLIPLIRSA-N 415.628 5.187 0 40 HKAB C[C@@H]1C(=O)N(Cc2ccc(C(C)(C)C)cc2)c2ccccc2N1C(=O)c1ccccc1 1381854 DVTDZPPDZPOTPE-LJQANCHMSA-N 412.533 5.566 0 40 HKAB CCc1nc2sc(C(=O)c3ccc(Cl)cc3Cl)c(N)c2c2c1CCCC2 1762043 IPZYNHSDTRDJEJ-UHFFFAOYSA-N 405.350 5.858 0 40 HKAB CCc1ccc2oc(-c3cc(O)c(-c4nc5cc(CC)ccc5o4)cc3O)nc2c1 1856471 CFIFPXCCFUPTSL-UHFFFAOYSA-N 400.434 5.839 0 40 HKAB Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2ccc(Br)cc2)cc1 2306384 OHIWXCSDEIJWMU-QFIPXVFZSA-N 420.350 6.011 0 40 HKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc2ccccc2oc1=O 2394888 FMVJBQBPQOAXFS-QFIPXVFZSA-N 418.832 5.227 0 40 HKAB Cc1ccc(OCc2ccc(C(=O)N3c4ccc(F)cc4CC[C@@H]3C)cc2)cc1C 2754386 OLIOSRYFTQBHKW-IBGZPJMESA-N 403.497 6.003 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 3219699 KABPKOPIUJDCOY-UHFFFAOYSA-N 420.921 6.391 0 40 HKAB C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@@H](c1cccs1)N1CCCC1 3244366 FDXSPUBLHJZPBW-JPYJTQIMSA-N 406.551 5.496 0 40 HKAB Cc1cc(I)ccc1NC(=S)Nc1ccccc1C(C)C 3328235 HVVOHUCVTRGXKX-UHFFFAOYSA-N 410.324 5.532 0 40 HKAB COc1ccc(Br)cc1CN(C)C(=O)C(c1ccccc1)c1ccccc1 3446211 LYHCOXIDSKYKGX-UHFFFAOYSA-N 424.338 5.248 0 40 HKAB Cc1ccc([C@H](C(=O)Nc2ccc(C(C)C)cc2)N(C)C(=O)Cc2cccs2)cc1 3615579 RVAGUECCFZAQAF-XMMPIXPASA-N 420.578 5.561 0 40 HKAB CCOc1ccc(CNCC[C@@H](CCC(C)C)[C@H]2CCOC(C)(C)C2)cc1OC 4084285 NQFRHAWKZVTFKT-YADHBBJMSA-N 405.623 5.831 0 40 HKAB biogenic COC(=O)c1sc2ccccc2c1NC(=O)COc1ccc(Cl)cc1Cl 4176830 HPOZPSHBCZWUJH-UHFFFAOYSA-N 410.278 5.012 0 40 HKAB CCCn1c(-c2ccc(C3CCCCC3)cc2)cs/c1=N\c1ccc(Cl)cc1 4567909 LVQMMTUEQGOMPI-LCUIJRPUSA-N 411.014 7.560 0 40 HKAB CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 4934735 RCXPTZJNVLDKKV-PXBBAZSNSA-N 400.691 8.043 0 40 HKAB biogenic CCc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(Cl)cc23)cc1 4970255 AVUBSRJPXMEAPD-UHFFFAOYSA-N 401.872 6.596 0 40 HKAB CC1(C)C[C@@]2(CCO1)Oc1ccccc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 4993484 AVZYOQDMLQOKRW-LBNVMWSVSA-N 424.544 6.182 0 40 HKAB Cc1nnc(S/C(=C\c2cccc(OCc3cccc4ccccc34)c2)C(=O)O)[nH]1 6588329 JBOKDNHAAKFKJT-BKUYFWCQSA-N 417.490 5.063 0 40 HKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3n2)cc1 6710026 BGEZRPPPZJAJOA-XNTDXEJSSA-N 424.548 6.067 0 40 HKAB COc1ccc(-c2nnc([C@@H](C)Sc3nnc(C4CC4)n3-c3ccccc3)o2)cc1 7229911 KFPSBWCMQTXGHX-CQSZACIVSA-N 419.510 5.057 0 40 HKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@H]2c2ccccn2)cc1 7504516 HKFNRIUFEJRNJD-JOCHJYFZSA-N 400.869 5.183 0 40 HKAB O=C(NCc1ccccc1CN1CCCCC1)c1cc(Br)ccc1Cl 7849927 DRYWMJLRBOTLQK-UHFFFAOYSA-N 421.766 5.018 0 40 HKAB Clc1cccc(-c2noc(CSc3nc(C4CC4)n(-c4ccccc4)n3)n2)c1 8131909 MLTPXYILWKJJBG-UHFFFAOYSA-N 409.902 5.140 0 40 HKAB COc1cc(Cl)c(C)cc1NC(=O)/C=C/c1ccc(OCC(C)C)c(OC)c1 8277784 XKSLQTBEVSMJNF-VQHVLOKHSA-N 403.906 5.352 0 40 HKAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1nnc(-c2cccs2)o1 8312077 YVNIFKUHXWSXIY-ZDUSSCGKSA-N 409.540 5.169 0 40 HKAB CC[C@H](C)NCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 8326663 ZNFFRGNCESJGAR-LBPRGKRZSA-N 402.749 6.123 0 40 HKAB O=C1N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc2[C@]1(O)c1c[nH]c2ccccc12 8722580 LVXFPMDTEDZVPF-QHCPKHFHSA-N 423.299 5.257 0 40 HKAB CCOc1cccc(C(=O)Nc2nnc(COc3ccc([C@@H](C)CC)cc3)s2)c1 8739456 SANVAUIMXJDUFG-HNNXBMFYSA-N 411.527 5.282 0 40 HKAB Cc1cc(C)c(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)c(Cl)c1 8904140 VGKDAGRLMGRGPL-UHFFFAOYSA-N 415.917 5.464 0 40 HKAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3c(F)cccc3F)ccc21 8959253 DKNGPRPEHYTIMC-UHFFFAOYSA-N 416.468 5.015 0 40 HKAB Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3cccc4ccccc34)nc12 9241982 GIKRPTMJFVPHQF-UHFFFAOYSA-N 409.514 6.000 0 40 HKAB O=C([C@@H](Sc1nnc(-c2cccs2)n1C1CC1)c1ccccc1)N1CCCCC1 9497788 ZPMANYXGLFLPQC-IBGZPJMESA-N 424.595 5.187 0 40 HKAB COc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Nc3ccc(Cl)cc3)c2c1 9838627 MZNNHSASPAKTKW-UHFFFAOYSA-N 424.909 5.473 0 40 HKAB CCOc1cccc2cc(-c3csc(NC(=O)c4ccccc4SCC)n3)oc12 10750600 DJWJXDNCEARQKM-UHFFFAOYSA-N 424.547 6.319 0 40 HKAB CCCc1ccc(OCCn2c(C)c(C(=O)OC)c3cc(O)c4ccccc4c32)cc1 12411461 UDZPZYAZRCNJSE-UHFFFAOYSA-N 417.505 5.627 0 40 HKAB biogenic,in-vitro Cc1ccc(-n2c(SCc3nc4ccccc4s3)nnc2N2CCCC2)cc1 12558368 LAMWRWADILWWSR-UHFFFAOYSA-N 407.568 5.078 0 40 HKAB CCCn1c(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)nc2ccccc21 13640700 FOECIQSXUVNQFQ-UHFFFAOYSA-N 417.494 5.272 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 14153319 SYMALONHXZUTMG-DEOSSOPVSA-N 420.534 5.177 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1OC 15008953 RDUIQHMUAZSZOW-PVGUKEHMSA-N 415.486 5.248 0 40 HKAB CCOc1ccc(N[P@](=O)(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c2ccccc2)cc1 15906192 IRXPWPJDQDPAQU-WZELYZJASA-N 415.514 6.493 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2N)cc1 16755808 NQWVKFISOWIHMA-UHFFFAOYSA-N 407.370 5.556 0 40 HKAB COc1c2c(cc3c1[C@@H](CC(=O)C(CC=C(C)C)CC=C(C)C)N(C)CC3)OCO2 20111786 IRNPTFWPDQAYHG-HXUWFJFHSA-N 413.558 5.241 0 40 HKAB biogenic O=C(CCc1ccccc1)Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1 20734797 OGICDWILRSDXRR-UHFFFAOYSA-N 410.521 5.018 0 40 HKAB CC(C)(C)c1cc([C@H](c2ccc(Cl)cc2)N2CCOCC2)cc(C(C)(C)C)c1O 21486912 JLTUNGLESXPLKI-QFIPXVFZSA-N 416.005 6.062 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCCC2)c(F)c1 21576438 YUKGGMZBMCKMCS-CYBMUJFWSA-N 411.304 5.529 0 40 HKAB Cc1ccc(CSc2nc3ccccc3n2C(=O)COc2ccc(C)cc2)cc1 26841224 AUJISDLSIXEDIQ-UHFFFAOYSA-N 402.519 5.665 0 40 HKAB COc1ccc([C@](O)(c2ccc(C)cc2)[C@@H](CN2CCCCC2)c2ccccc2)cc1 27241100 FKJYZKASQVGULX-WUFINQPMSA-N 415.577 5.509 0 40 HKAB CCCCN1C(=O)COc2ccc(NC(=O)c3oc4ccc(CC)cc4c3C)cc21 32593471 FTWSKPSUDWBWLQ-UHFFFAOYSA-N 406.482 5.081 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)CSc1nncn1-c1ccc(C(C)C)cc1 32909914 YYONLHNYKYRFSN-UHFFFAOYSA-N 400.935 5.083 0 40 HKAB COc1ccccc1Nc1c(-c2cc(Br)ccc2O)nc2ccc(C)cn12 35616369 AKYIZBSTJZCXPK-UHFFFAOYSA-N 424.298 5.530 0 40 HKAB COC(=O)Cc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1 41127446 PBUVGPYEVFTUMW-UHFFFAOYSA-N 422.278 5.640 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 44933481 RVAJBFAJPVFQAP-MRXNPFEDSA-N 405.369 5.391 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(OC)c1 49005089 MOXGBNBFNJWXFI-GOSISDBHSA-N 404.514 5.095 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2C)nc1 67296608 XSRXRIKLUOJWKT-RWEWTDSWSA-N 403.869 5.583 0 40 HKAB CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72214654 VXZOXSLJVQPTKA-FQEVSTJZSA-N 409.530 5.210 0 40 HKAB COc1ccc(C)cc1-c1csc(NC(=O)c2cc(-c3ccccc3)ns2)n1 84147628 DBEVXVSJPOSILW-UHFFFAOYSA-N 407.520 5.503 0 40 HKAB O=C(NC1CC1)c1cc2ccc(-c3ccc(C(F)(F)F)cc3)cn2c1-c1cocn1 96155504 TXTVABCQRCZZNF-UHFFFAOYSA-N 411.383 5.172 0 40 HKAB O=C(Nc1ccc(C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1)C12CC3CC(CC(C3)C1)C2 100845835 DWYLZRXNGARHNX-WBTBWGOPSA-N 424.028 6.671 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc(Oc2cccc3ccccc23)cc1 102077979 SPTVJIIIABZJFG-QOTIDHGMSA-N 407.469 5.190 0 40 HKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(Sc4ccccc4)cc3)N21 222688927 LLTLVLQMZCXKKC-OFAXGOBFSA-N 417.603 6.212 0 40 HKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 222865294 QLHMLBWXKJUWAU-WOJBJXKFSA-N 414.937 5.047 0 40 HKAB O=C(CSCc1c(F)cccc1Cl)NCc1ccccc1CN1CCCCC1 224808043 MQQFSVNNMIVSDV-UHFFFAOYSA-N 420.981 5.015 0 40 HKAB CSc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 224845946 GGKINUHIXYMZSD-RGEXLXHISA-N 408.548 5.188 0 40 HKAB O=C(Nc1ccc(N2CCCC2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 224898581 VFTBZIXZYWQTMY-PTGBLXJZSA-N 402.925 6.120 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 225202569 ULXVQZCLLYIKDC-JLPGSUDCSA-N 422.484 5.249 0 40 HKAB O=S(=O)(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc(Cl)ccc1Cl 225270035 KTJMLMNGRTZPKY-UHFFFAOYSA-N 418.305 5.338 0 40 HKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1 225737007 QQXPZRRTWUPYAH-QFIPXVFZSA-N 413.986 5.704 0 40 HKAB CCCCOc1ccc(NC(=O)C2(OCCC)CCCCCC2)cc1C(=O)OCC 225852602 ROBNYIDXCRHJEI-UHFFFAOYSA-N 419.562 5.500 0 40 HKAB COC(=O)c1cc(NC(=S)NC2(c3ccccc3Cl)CCCC2)ccc1Cl 225861390 LDTWTEPTUWUKTF-UHFFFAOYSA-N 423.365 5.536 0 40 HKAB Cc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3Cl)o2)c(N)c1 226348771 UVWQABMZIYUABB-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1-c1cn2c(n1)SCC2 390829193 WZTOFTOHLSTGTE-UHFFFAOYSA-N 424.576 5.402 0 40 HKAB COc1ccc(NC(=O)CSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 408552978 MHSMLMVLYCTPCP-UHFFFAOYSA-N 401.572 5.727 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2cccc(C)c2C)c1 408698388 NFKNBSUJUHTPBU-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c3c(C)nn(-c4ccccc4)c3n2)cc1 409061724 GTXLKGANRBENON-UHFFFAOYSA-N 409.920 7.025 0 40 HKAB Cc1c(Cl)cccc1NCc1cc(Br)ccc1OCc1ccccc1 409110545 DXNZQKAYIOIOMG-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1ccc(OCc2ccc(C(=O)OC(c3ccccc3)c3ccccc3)cc2)cc1 409178277 LTMPHYTXJGCGHB-UHFFFAOYSA-N 408.497 6.520 0 40 HKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccc(C)c(C)c3)cc2Cl)c1 409266755 KZPLAAKXBWOOPC-UHFFFAOYSA-N 408.929 5.895 0 40 HKAB CCc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409331880 PEZFVIPJZIRTRQ-NDEPHWFRSA-N 418.540 6.615 0 40 HKAB C/C=C(/CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 2060999594 OSELKOCHBMDKEJ-XHJXRJPQSA-N 412.702 7.945 0 40 HKAB Cc1ccc(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1C 639591 CFCQRVVJTALKIQ-LJQANCHMSA-N 413.348 6.191 0 40 HKAB Cc1ccc2cc(CN(C(=O)Nc3cccc(Cl)c3)C3CCCC3)c(=O)[nH]c2c1C 925616 WIKVGQZBGUROND-UHFFFAOYSA-N 423.944 5.775 0 40 HKAB O=C1C(Nc2cccc(Cl)c2)=C(SCc2ccco2)C(=O)N1Cc1ccccc1 938227 IGALQLGLBQNJEZ-UHFFFAOYSA-N 424.909 5.059 0 40 HKAB S=C(Nc1ccc(Cl)cc1)N1CCS[C@@H]1c1ccc(Br)cc1 1101457 MITLYTDVRFCCJS-OAHLLOKOSA-N 413.793 5.547 0 40 HKAB CC(=O)C(Cc1cccc(C(F)(F)F)c1)(Cc1cccc(C(F)(F)F)c1)C(C)=O 1392887 XDMLTYLOJMGAOS-UHFFFAOYSA-N 416.361 5.674 0 40 HKAB CCOC(=O)c1ccc(N[C@@H](c2ccccc2OC)c2c(C)[nH]c3ccccc23)cc1 1796973 AUSNZUBYICPJHQ-VWLOTQADSA-N 414.505 5.863 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1 2137339 SRZGPHRMRZRMGQ-UHFFFAOYSA-N 404.901 5.624 0 40 HKAB COc1ccc(Cl)cc1Nc1nc(-c2cccc(OC)c2O)nc2ccccc12 2224115 WXGNANJJIGLPAO-UHFFFAOYSA-N 407.857 5.417 0 40 HKAB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1sc2ccccc2c1Cl 2270204 PLQCDWYIHIHECJ-AWEZNQCLSA-N 413.970 6.886 0 40 HKAB CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 2372859 DGYUKDSGLVGPFP-RPWUZVMVSA-N 424.529 5.213 0 40 HKAB CCOC(=O)c1c(-c2ccc(Cc3ccccc3)cc2)csc1-n1c(C)ccc1C 2679593 XTLMEGQILWHUIY-UHFFFAOYSA-N 415.558 6.590 0 40 HKAB O=C(Nc1ccccc1Cl)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F 3012979 ACYGOXPBOVFQTQ-ZFWWWQNUSA-N 410.783 5.042 0 40 HKAB Cc1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1Cl 3109489 VIVPMLZPGCOYGU-UHFFFAOYSA-N 402.346 6.846 0 40 HKAB Cc1nc2c(cc(Oc3ncnc4sc5c(c34)CCCC5)c3ccsc32)s1 3274045 JZRZZFMKDUNFQA-UHFFFAOYSA-N 409.561 6.495 0 40 HKAB Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](C1CCCCC1)O2 4309591 HQHCOJNMGMIBAG-IFMALSPDSA-N 411.343 5.899 0 40 HKAB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(C)(C)C 4546819 KQUQYTMLOJYTNM-IBGZPJMESA-N 420.340 5.489 0 40 HKAB Cc1c(Cl)cccc1NCN1C(=O)S/C(=C/c2ccc(C(C)C)cc2)C1=O 5174171 DLEDWBZCCLCHRZ-YBFXNURJSA-N 400.931 5.878 0 40 HKAB Cc1ccc(-c2csc(-n3nc4c(c3C(F)(F)F)COc3ccccc3-4)n2)cc1 5274843 APWCEUZWXCEYFA-UHFFFAOYSA-N 413.424 5.882 0 40 HKAB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4)ccc3o2)cc1 5568906 UDTNLZAPIYVYLH-UHFFFAOYSA-N 417.490 5.020 0 40 HKAB O=C(CSCc1ccccc1)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 5900564 DVYJDUGYTWWAGQ-UHFFFAOYSA-N 422.619 6.730 0 40 HKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)OCn1c(=O)sc2ccccc21 6244157 UDMAMCIIHCDRRB-UHFFFAOYSA-N 403.674 5.229 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc2C)c(C)c1 6352375 CNZQMPYJFASQMH-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB COc1c(C)cccc1C(=O)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1C 6451203 OFBOQLXDETXDOY-UHFFFAOYSA-N 414.505 6.496 0 40 HKAB c1ccc(-n2c(Sc3ncnc4sc5c(c34)CCC5)nc3ccccc32)cc1 6509128 UQPDFUNZLXFUEF-UHFFFAOYSA-N 400.532 5.670 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 6627309 ALLSAELSGPDFBB-UHFFFAOYSA-N 413.260 6.063 0 40 HKAB CCc1cccc(N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)c1 6794646 HYSZNOIRDGLSJA-NRFANRHFSA-N 407.876 6.293 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3)c2)cc1 7073110 XMRBJQWPBFEFIV-GOSISDBHSA-N 402.494 5.470 0 40 HKAB CCOc1cc(CNCc2ccco2)cc(Cl)c1OCc1ccccc1Cl 7523671 NJBPVHJTIZPYGK-UHFFFAOYSA-N 406.309 5.854 0 40 HKAB CN(C)Cc1ccccc1CNC(=O)C1(Cc2nc3ccccc3s2)CCCCC1 7718362 HEHKVVIVACJDCL-UHFFFAOYSA-N 421.610 5.167 0 40 HKAB CC[C@H]1CCCCN1C(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 8136372 WOKLUJPRBCHKLC-AWEZNQCLSA-N 417.625 5.750 0 40 HKAB COc1ccccc1-c1nnc(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)o1 8265435 OQQPSVCAHLJBLQ-FQEVSTJZSA-N 408.910 6.280 0 40 HKAB Cc1nc2ccc(NC(=O)CCCC(=O)Nc3ccc4nc(C)sc4c3)cc2s1 8717925 HINDZHPKDLNXOS-UHFFFAOYSA-N 424.551 5.270 0 40 HKAB COc1ccc(Cn2c(-c3cccnc3Cl)nc3cc(Cl)c(Cl)cc32)cc1 8781679 ZZDZIWOFEZHZEZ-UHFFFAOYSA-N 418.711 6.115 0 40 HKAB CCCC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 8843938 NSQFRKCGWDGSTJ-QHCPKHFHSA-N 424.504 5.610 0 40 HKAB CCOc1ccc(NC(=O)CSCc2cc(Cl)ccc2OC)cc1OCC 9253464 YVGSBUSGEQZXQH-UHFFFAOYSA-N 409.935 5.018 0 40 HKAB O=C(Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1)c1ccc(F)cc1 9366778 LLMFTFCDPKGMPH-UHFFFAOYSA-N 413.421 5.241 0 40 HKAB CCN1C(=O)c2cccc3c(NC(=O)CCCSc4ccc(F)cc4)ccc1c23 9475004 OXLJNTDQXZVVLS-UHFFFAOYSA-N 408.498 5.470 0 40 HKAB CCC(=O)N(c1nnc(SCc2ncc(-c3ccc(Cl)cc3)o2)s1)C1CC1 9579181 UPJFBDWMKMYFGE-UHFFFAOYSA-N 420.947 5.044 0 40 HKAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1cc(Cl)ccc1Cl 10139689 XUBKXBXMRMJVSU-UHFFFAOYSA-N 402.325 5.293 0 40 HKAB COc1ccc(-c2csc(NC(=O)CCCSc3ccccc3)n2)cc1OC 10217801 MASXNUVILZRYEC-UHFFFAOYSA-N 414.552 5.338 0 40 HKAB Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1cccnc1)O2 12042944 WBBMGNIMSNVMAM-CTNGQTDRSA-N 406.283 5.086 0 40 HKAB COC(=O)c1c(CN(Cc2c(F)cccc2Cl)C2CC2)nc2ccccc2c1C 12693880 WAYOVLJXBAOFFC-UHFFFAOYSA-N 412.892 5.287 0 40 HKAB Cc1cc(C(C)(C)C)cc(C)c1CN1C(=O)N[C@@](C)(c2ccc3c(c2)CCC3)C1=O 13059487 PUPLLCMADGFMOW-SANMLTNESA-N 404.554 5.057 0 40 HKAB CCCCCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 13228251 HRYWXSIPCXJGGC-UHFFFAOYSA-N 419.619 7.068 0 40 HKAB Cc1nn(Cc2ccccc2)c(C)c1NC(=S)Nc1cccc(C(F)(F)F)c1 13331071 KMWAGDYGUNAGST-UHFFFAOYSA-N 404.461 5.376 0 40 HKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 14022807 RZKHVDQKCKTIAG-CYFREDJKSA-N 416.521 5.282 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3ccc4c5c(cccc35)CC4)n2)cc1F 14171416 QFTATSRLYQJOKC-UHFFFAOYSA-N 404.466 5.462 0 40 HKAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(Oc3ccc(F)cc3)cc2)c1 15480654 JOQKIAPXZKJVJL-UHFFFAOYSA-N 406.457 5.352 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1 16291961 QQIADPCINCQFGE-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccccc2)cc1 16788704 RVDYWTZUPARKBQ-UHFFFAOYSA-N 414.534 5.282 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 17092803 QGNLJSNEXJKKLB-SCFJZMLDSA-N 421.610 5.715 0 40 HKAB C[C@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1Cl 17314512 XBZKGDMQNCIWLS-SFHVURJKSA-N 402.929 5.498 0 40 HKAB Cc1c(C(=O)O)cccc1-c1ccc(CNCCc2ccc(Cl)cc2Cl)o1 20295577 SECJOVSIWPTAAH-UHFFFAOYSA-N 404.293 5.592 0 40 HKAB CCOC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 20513567 HKBREEUKHUUCHP-UHFFFAOYSA-N 401.466 5.635 0 40 HKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)NCCCc2ccccc2)c(C(C)C)c1 22257952 FGHDXXHPEALFRM-UHFFFAOYSA-N 401.616 5.968 0 40 HKAB c1ccc(-n2cc(CNC[C@@H](c3ccco3)N3CCCC3)c(-c3cccs3)n2)cc1 23247698 ZENBZQRQFDTVAQ-NRFANRHFSA-N 418.566 5.121 0 40 HKAB Cc1nc(-c2ccc(Oc3nc(CN4CCCC4)nc4sc(C)c(C)c34)cc2)no1 24835383 FYPNWOXNDQQWKH-UHFFFAOYSA-N 421.526 5.055 0 40 HKAB CC(C)CC(=O)NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 32115324 RTJCTDQMLOCUQS-UHFFFAOYSA-N 423.872 5.286 0 40 HKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc(OCC)c3)sc2c1 32119091 REKWGQOTNLPZGB-UHFFFAOYSA-N 413.568 5.164 0 40 HKAB Cc1nc2c(-c3cccs3)nc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2s1 32616307 SQJOYZMYGBIUIA-UHFFFAOYSA-N 408.335 5.245 0 40 HKAB Cc1cc2nnc(S[C@H](C)c3nc4ccccc4n3C(F)F)n2c2ccccc12 32879809 OIMFCIJFPGNBRG-CYBMUJFWSA-N 409.465 5.789 0 40 HKAB CCCOc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 33569338 BLFNQFZIXNCBND-UHFFFAOYSA-N 414.549 5.023 0 40 HKAB Cc1ccc(-c2nnc(SCC[S@@](=O)c3cc(Cl)ccc3Cl)o2)cc1 40134582 YBSGRCLPOUWFJF-VWLOTQADSA-N 413.351 5.252 0 40 HKAB CC[C@H](Oc1ccccc1C)C(=O)NCCSCc1ccc(Cl)cc1Cl 44905124 FLKIHKIICJIJCW-SFHVURJKSA-N 412.382 5.509 0 40 HKAB O=C(Nc1cccc(C2SCCCS2)c1)c1cccn(Cc2ccccc2)c1=O 58432666 GUCRGPOLTQTHMH-UHFFFAOYSA-N 422.575 5.018 0 40 HKAB Cc1ccc(-c2noc(-c3nn(-c4ccc(C)c(C)c4)c(=O)c4ccccc34)n2)cc1 64950019 NZEWCFTXOVSZAN-UHFFFAOYSA-N 408.461 5.028 0 40 HKAB COc1ccc(N2C(=O)CC[C@@H](Sc3ccc(C)cc3)[C@@H]2c2ccccc2)cc1 65090571 CGRQLGWTWPXMCZ-NOZRDPDXSA-N 403.547 6.033 0 40 HKAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 84310579 PSIKQRRIJSMJHA-LBPRGKRZSA-N 413.852 5.114 0 40 HKAB Cc1ccccc1NC(=O)N(CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 100974873 VUGPATWMNVUEQK-ROSOWXQZSA-N 412.618 6.393 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@H](c4ccccc4Cl)C3=C(O)C2)cc1 102580441 LDPJLRYJLMAJGF-SPLOXXLWSA-N 406.873 5.005 0 40 HKAB Cc1cccc2c(C(=O)NCC(C)(C)c3ccc(F)cc3)cc(-c3ccccn3)nc12 141552520 IIUXRYDSETTYNG-UHFFFAOYSA-N 413.496 5.452 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccccc3Sc3ccccc3)N21 222689750 PHYKAUPOQSAPMW-NLSFWIRASA-N 417.603 6.212 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1cccc(OC(C)C)c1 222932970 QICINBWKYPNZSW-XMMPIXPASA-N 411.586 5.678 0 40 HKAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 223436704 OKXRGIRZKCUWMP-UHFFFAOYSA-N 416.273 5.535 0 40 HKAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1Sc1ccccc1 223439262 YSLVJCZFCBOVRF-UHFFFAOYSA-N 421.996 6.014 0 40 HKAB COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1 223641705 WYKXIBXOKSKBNL-UHFFFAOYSA-N 424.305 5.595 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccccc1 224086939 DZNRXWZISCHBHX-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB CCCC[C@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 224090919 ZECLNBLBFVSKJV-IBGZPJMESA-N 416.587 5.050 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)cc1 224195983 KXYYIEHMXZGZRZ-XZOQPEGZSA-N 402.567 5.320 0 40 HKAB Cc1ccc(OCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c(C)c1 224276468 KPJVIZXMXIUVOJ-UHFFFAOYSA-N 409.913 5.345 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COCc1ccccc1 224461395 SUDQTXMLLTZQLQ-UHFFFAOYSA-N 415.411 5.683 0 40 HKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1c(F)cccc1Cl 224942144 HBJZSMBZRACOMD-OAHLLOKOSA-N 421.965 5.175 0 40 HKAB Cc1ccc(NC(=S)NC2(c3ccccc3C)CCCC2)cc1N1CCCC1=O 225869923 YZQQXUHROABBFP-UHFFFAOYSA-N 407.583 5.186 0 40 HKAB COc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3Cl)o2)cc1N 226765941 XOAGOGCYPYMDMN-UHFFFAOYSA-N 421.678 5.206 0 40 HKAB COc1cc(C(=S)N2CCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 408577611 UALWXGJXYAXYBC-UHFFFAOYSA-N 410.366 5.742 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)cc3C)n2)c1 408700231 ZWASFFIFIZQKIV-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COc1ccc(C(=O)Nc2ccc3sc(C(=O)N4CCCCC4)cc3c2)cc1C 408713461 ZPZUGTCKWFALKM-UHFFFAOYSA-N 408.523 5.097 0 40 HKAB Cc1ccc(-c2nc(Nc3cccc(Cl)c3Cl)sc2CC(=O)O)cc1C 408888099 SMLSVXSNXJNAGM-UHFFFAOYSA-N 407.322 6.104 0 40 HKAB CCc1ccccc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 409112178 BEOBFACDHNSUOY-UHFFFAOYSA-N 420.767 7.400 0 40 HKAB Cc1ccc(NC(=O)COc2ccc(CNc3cccc(Cl)c3)cc2Cl)cc1 409376751 ATARDNYBMBPOHG-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB Cc1ccccc1-c1cc(C(=O)N[C@@H](c2nc(-c3ccccc3)no2)C(C)(C)C)no1 585152346 RUIAAYIGDIOKQT-FQEVSTJZSA-N 416.481 5.217 0 40 HKAB CCc1cc2c(cc1[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1)OCCO2 667998 YPZBUJCRVYKHFQ-DEOSSOPVSA-N 415.533 5.053 0 40 HKAB COc1cccc(NC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)c1 993382 JQHLSPPTBYYUMF-UHFFFAOYSA-N 408.910 6.186 0 40 HKAB CSc1nsc(SCc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)n1 1085552 MMEDUXUUIMSDIF-UHFFFAOYSA-N 407.973 5.458 0 40 HKAB COc1c(NC(C)=O)cc(Oc2cccc(C(F)(F)F)c2)c2nc(C)cc(C)c12 1106014 FINCJDWOQSUWRG-UHFFFAOYSA-N 404.388 5.630 0 40 HKAB Cc1sc2nc(C(C)C)n3c(SCC(=O)c4ccccc4F)nnc3c2c1C 1336265 JTIITQVUJGUDOE-UHFFFAOYSA-N 414.531 5.193 0 40 HKAB Cc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccc2c(c1)CCN2C(=O)C(C)C 1365772 ZIARKQOOTUKAFD-UHFFFAOYSA-N 423.513 5.055 0 40 HKAB CCN(CC)CCN(C(=O)C(c1ccccc1)c1ccccc1)c1ccc(OC)cc1 1758916 CYNSIYBEXZZWRZ-UHFFFAOYSA-N 416.565 5.202 0 40 HKAB CCCCc1ccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 1786200 KHJSYSODGCNWLH-UHFFFAOYSA-N 403.309 5.114 0 40 HKAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc4c(c3)Cc3ccccc3-4)NC(=O)CCN21 2239107 KHRYABJOOCGWQA-GLZFBQTRSA-N 420.556 5.593 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(SCCOc2ccccc2)s1 2359994 JLAOFMKNQJPURS-UHFFFAOYSA-N 406.920 5.007 0 40 HKAB COc1cccc(-c2nnc(SCc3c(F)cccc3F)n2Cc2ccco2)c1 2450863 HHWNLECNEBNVIB-UHFFFAOYSA-N 413.449 5.166 0 40 HKAB O=C(N1CCN(c2ccc(Cl)c(Cl)c2)CC1)C1(c2ccccc2)CCCC1 2512751 WBMLXMKUBYREMS-UHFFFAOYSA-N 403.353 5.154 0 40 HKAB CCc1cc2c(SCC(=O)Nc3ccccc3Cc3ccccc3)ncnc2s1 2627418 DTYBVANCJVEUHS-UHFFFAOYSA-N 419.575 5.575 0 40 HKAB Cc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1ccc2oc3ccccc3c2c1 3627960 VXKPMKCZGKNHQO-AREMUKBSSA-N 404.469 6.666 0 40 HKAB Cc1c(C(c2cccc(Cl)c2)c2c(C)n(C)c3ccccc23)c2ccccc2n1C 4631206 IFFLWGWLKSTAHQ-UHFFFAOYSA-N 412.964 7.120 0 40 HKAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccccc2)n2c(nc3ccccc32)N1 4632158 GEBKRQQOUWUABC-XMMPIXPASA-N 408.505 5.581 0 40 HKAB Cc1c2oc3c(c2cc2c(-c4ccccc4)c(-c4ccccc4)c(=O)oc12)CCCC3 4669057 FTMYRLMAFPSOTO-UHFFFAOYSA-N 406.481 7.060 0 40 HKAB O=C1Nc2ccccc2/C1=C/c1ccccc1OCc1ccc(Br)cc1 4690067 SVBHPIVUDPQLIP-UYRXBGFRSA-N 406.279 5.521 0 40 HKAB Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc45)=NN32)cc1 4862825 SVWJSFGZNPWFDW-AZGAKELHSA-N 410.904 6.736 0 40 HKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C1/C=C(c2cccs2)Oc2ccccc21 5422797 LSFCWDHSFOFPSJ-SILNSSARSA-N 405.862 5.550 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 6215370 IHBRDTZOEPJMRG-UHFFFAOYSA-N 402.346 6.846 0 40 HKAB COc1ccc(NC(=O)c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)cc1 6271508 YXWAVMXKIGPNGC-UHFFFAOYSA-N 413.477 5.000 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 6418992 ITROTTNFBRUDNB-UHFFFAOYSA-N 422.956 6.149 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4Cl)c3)nc2c1 6449761 WQOWOVHTQBXQER-HNNXBMFYSA-N 404.897 6.914 0 40 HKAB COc1ccc(OC)c(C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)c1 6589688 SCCMXZNXSCQBSD-UHFFFAOYSA-N 404.491 5.157 0 40 HKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(F)cc1 6613874 QNTBCDGBWORPSQ-UHFFFAOYSA-N 408.473 5.081 0 40 HKAB COc1ccc(-c2nc(NC(=O)CSc3ccc(Cl)cc3)sc2C)cc1 7511411 WJYANHIBHDWQOF-UHFFFAOYSA-N 404.944 5.511 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)CN1c1ccccc1F 8758322 LULCVWPOCGYWAS-QGZVFWFLSA-N 419.887 5.398 0 40 HKAB CCN1C(=O)c2cc(NC(=O)c3cc(Cl)ccc3OC)ccc2Oc2ccccc21 9134609 LNMOHYZPJRQZIS-UHFFFAOYSA-N 422.868 5.373 0 40 HKAB CCOc1cc(/C=C2/C(=O)Nc3ccccc32)cc(Cl)c1OCc1cccc(F)c1 9296328 PYHWFQGVTMJSSN-YBFXNURJSA-N 423.871 5.950 0 40 HKAB Cc1ccc(CSc2ccc(-c3sc(-c4ccc(F)cc4)nc3C)nn2)cc1 9578201 XOYNQTCWIGUGRC-UHFFFAOYSA-N 407.539 6.315 0 40 HKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 9594796 FUXYNSRRVLDVMY-UHFFFAOYSA-N 421.884 5.648 0 40 HKAB O=C(Nc1ccc2c(c1)OCO2)c1sc2cc(Br)ccc2c1Cl 9763286 JEVYHSMUGPWJHN-UHFFFAOYSA-N 410.676 5.298 0 40 HKAB Cc1ccc2sc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)nc2c1C 10066144 ASADEVBBWALWNL-UHFFFAOYSA-N 403.551 5.275 0 40 HKAB COc1cc2c(cc1NC(=O)CN1CCC[C@@H]1c1ccccc1)oc1ccccc12 10339717 LHMAWPPRISNHPQ-OAQYLSRUSA-N 400.478 5.370 0 40 HKAB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)no2)cc1 11916469 LFMIPAULZQJVJO-UHFFFAOYSA-N 406.869 5.739 0 40 HKAB O=C(CC12CC3CC(CC(C3)C1)C2)NCCCn1c2ccccc2c2ccccc21 12360288 VQHKQNYZYCINNE-UHFFFAOYSA-N 400.566 5.907 0 40 HKAB CC[C@H](C)c1ccc(-c2csc(Cc3nnc4n3-c3ccccc3SC4)n2)cc1 12554623 MAGHKXNUWYMOKF-HNNXBMFYSA-N 418.591 6.101 0 40 HKAB Fc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1 13364534 AXEKVVVECALYKP-LJQANCHMSA-N 415.802 6.009 0 40 HKAB O=C(CSc1nnc(-c2ccsc2)c(-c2ccsc2)n1)c1ccc(F)cc1 13568452 WBQVZGAIGFKVCO-UHFFFAOYSA-N 413.524 5.443 0 40 HKAB COc1ccccc1[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 14240668 RRTFZTKPLFPZDF-OAHLLOKOSA-N 408.885 5.092 0 40 HKAB CCCCOc1ccc(Br)cc1C(=O)Nc1cc(Cl)ccc1Cl 14649366 ZSBUIXGPHJOBGJ-UHFFFAOYSA-N 417.130 6.187 0 40 HKAB Cc1ccc(N2C(=O)CN(c3ccccc3C)C(=O)[C@@H]2/C=C/c2ccccc2)c(C)c1 15412288 LIKADVYDGSRTOX-YVIRBKRRSA-N 410.517 5.074 0 40 HKAB Fc1ccccc1COc1ccc2ccccc2c1CNC1C2CC3CC(C2)CC1C3 16525836 VIGRRNMFRSLHQK-UHFFFAOYSA-N 415.552 6.472 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1sc2nc(-c3ccc(F)cc3)cn2c1C 16992454 VACNRROAFJFDHH-UHFFFAOYSA-N 415.877 5.425 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)oc2c1 17091359 XUGFLMNYZPYLDK-UHFFFAOYSA-N 418.321 5.751 0 40 HKAB Cc1ccccc1C(=O)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 17092524 TZQDRWYFTYWVQE-UHFFFAOYSA-N 420.925 5.319 0 40 HKAB O=C(C1CCCCC1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccs3)CC[C@H]21 19343537 PPSJYOXWHDFJBR-YPAWHYETSA-N 414.640 5.206 0 40 HKAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 20139804 JOIUPNACKAILHX-UHFFFAOYSA-N 420.646 5.313 0 40 HKAB Cc1cc(NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1-c1ccc(CO)o1 20145014 BWZUPRUJMNESHY-UHFFFAOYSA-N 413.473 5.579 0 40 HKAB CC(C)c1n[nH]c(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n1 23175048 PRKMSQBLLISWGA-INIZCTEOSA-N 420.460 5.419 0 40 HKAB COc1cc2c(cc1NC(=O)Cc1c(C)[nH]c3ccc(F)cc13)oc1ccccc12 24762428 IYVIWMUKLKAJLI-UHFFFAOYSA-N 402.425 5.705 0 40 HKAB Cc1cccc(O[C@H](C)C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)c1C 28291089 QJTQHFFDGOHOHP-QGZVFWFLSA-N 412.892 5.492 0 40 HKAB COc1cccc([C@@H]2CC(O)=Nc3nc(N)sc32)c1OCc1ccccc1Cl 32074729 GIYORGWAHNZIJP-ZDUSSCGKSA-N 415.902 5.090 0 40 HKAB Cc1c(-c2cccc(Cl)c2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1cccc(Cl)c1 32096569 ARJPMUVZOWIHIU-MRXNPFEDSA-N 415.280 5.337 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccccc1NCc1nc(-c2cccs2)no1 32753242 MCHWFEULGXUCAD-UHFFFAOYSA-N 410.886 5.316 0 40 HKAB COc1ccc(-n2nc(C)c3c(C(=O)Nc4ccccc4C(C)C)cc(C)nc32)cc1 36617051 XZWQQGKBDMSCCJ-UHFFFAOYSA-N 414.509 5.422 0 40 HKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 44874690 OZABJSLBBHTNKO-FQEVSTJZSA-N 408.586 5.054 0 40 HKAB Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(C)cc3C)n2)c1 46012076 LBCXNVLGFJPTAM-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB COc1ccc(-c2csc(-c3ccc(NC(=O)c4cccs4)cc3)n2)c(OC)c1 58129352 GIVLKGQZTKKMSP-UHFFFAOYSA-N 422.531 5.808 0 40 HKAB CC(C)(C)NC(=O)c1sc2c(NC(=O)/C=C/c3ccco3)cccc2c1Cl 59294636 HRNXJCLQYOZLBK-MDZDMXLPSA-N 402.903 5.328 0 40 HKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(C)c(C)c3)oc12 67295600 CIUSASWPZKRCKV-RFBIWTDZSA-N 413.477 5.246 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2F)nc1 67296567 JYELMBRQCZSQSX-ROMGYVFFSA-N 407.832 5.413 0 40 HKAB Cn1cc(-c2cccc(C(=O)N3CCCC[C@H]3c3nc4ccccc4s3)c2)cn1 72295266 FHEBSEWZEDDPKI-FQEVSTJZSA-N 402.523 5.064 0 40 HKAB CC(C)=CCC/C(C)=C/CC/C(C)=C\CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 77952768 OTXNTMVVOOBZCV-WLJDUOTLSA-N 410.642 8.292 0 40 HKAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C4C5CC6CC(C5)CC4C6)[C@H]3C2=O)cc1Cl 100837732 YOOCZIRJOZWOJF-FAXLWJMSSA-N 419.952 5.323 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)ccc1Cl 222846583 LOBNSFBSTIFAKM-KRWDZBQOSA-N 414.933 5.071 0 40 HKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1C1CCCC1 223093169 NQYKJPQLVNJPSZ-ZEQRLZLVSA-N 422.642 5.920 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2cc3cc4ccccc4nc3s2)cc1 223134020 WCILTQJOFAXWOS-UHFFFAOYSA-N 404.491 5.659 0 40 HKAB C[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc2c(c1)CCC2 223231348 BFKJZWNWHFKYNK-KRWDZBQOSA-N 405.925 5.899 0 40 HKAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 223883320 YJKYTCGVPQZNGW-MOPGFXCFSA-N 414.987 5.040 0 40 HKAB CC(C)Oc1ccc(CNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225446742 KVXIFBVFRCSBBA-UHFFFAOYSA-N 413.768 5.376 0 40 HKAB COCCC1(NC(=S)Nc2ccc(CSc3ccccc3)cc2)CCCC1 225855785 IQUYSTRNSJKASH-UHFFFAOYSA-N 400.613 5.615 0 40 HKAB Fc1cc(Br)ccc1NC(=S)NC1(CCc2ccccc2)CCCC1 225861245 CNRADZNLNLNOKH-UHFFFAOYSA-N 421.379 5.820 0 40 HKAB O=C(c1cc2ccccc2o1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257310421 UEZWHPDQSWDFQB-SFHVURJKSA-N 420.896 5.685 0 40 HKAB O=C1CS[C@H](c2ccc(OCc3cccc(F)c3)cc2)N1c1ccc(Cl)cc1 408560295 YOXNSFPOSQTFSX-JOCHJYFZSA-N 413.901 5.837 0 40 HKAB CCc1s/c(=N\C(=O)c2ccccc2F)n(CC)c1-c1ccc(Cl)c(Cl)c1 408562327 OVXTUWWFVUACCJ-GFMRDNFCSA-N 423.340 5.986 0 40 HKAB COc1cccc(C(=S)NCc2ccccc2Cl)c1OCc1ccc(F)cc1 408578297 XHEDSXZJAIZAIV-UHFFFAOYSA-N 415.917 5.532 0 40 HKAB CC(C)c1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1 408624957 WFHUASODPWRBGL-UHFFFAOYSA-N 416.908 6.205 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(Cl)c3C)n2)cc1 408693655 BMWFPSYDGHAMLB-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2cccc(C)c2)cc1 408696665 DFPZXEOSKRZTSQ-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2ccccc2)c1 408696965 CUNCAQLTRDJYMK-UHFFFAOYSA-N 404.473 5.648 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2ccccc2C)c1 408697326 JARHPCUGCGEIFG-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(Cl)cc2)cc1C 408699317 SUTWAZPFZJJDBQ-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1 408724488 LDSPZJVBCYDGGY-UHFFFAOYSA-N 423.903 6.598 0 40 HKAB Cc1ccccc1CSCC(=O)Nc1ccc(CSc2ccccc2)cc1C 408921826 YANDJQMNBGGVPG-UHFFFAOYSA-N 407.604 6.468 0 40 HKAB Cc1ccccc1NCc1cc(Br)ccc1OCc1cccc(Cl)c1 409134853 PSRQASSRUPXBRL-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB CCOc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(F)c1 409203249 XCOIWLBERWXQCB-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(C)C)o2)cc1 409343037 CINXLMZECIXSDP-UHFFFAOYSA-N 411.527 5.065 0 40 HKAB CC(=O)N1CCc2cc(NC(=O)N(C)[C@@H](C)c3ccc(Cl)c(Cl)c3)ccc21 519906475 DYFQISHSDCYQFN-LBPRGKRZSA-N 406.313 5.127 0 40 HKAB Cc1cc2c(cc1-c1ccnc3nc(-c4ccccc4Cl)nn13)[C@@H](C)CC(C)(C)N2 618256601 JWIYEBIBSAUVJC-HNNXBMFYSA-N 417.944 6.118 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-c2ccccc2)cc1 651191 GUWCYHFTGYQVCW-UHFFFAOYSA-N 406.555 5.354 0 40 HKAB O=S(=O)(c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1)N1CCCCC1 702537 LWIJELGKEVLGKM-UHFFFAOYSA-N 418.971 5.305 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccccc2F)sc(C)c1-c1ccc(OC)cc1 727900 GNLSRDNJOWSDOY-UHFFFAOYSA-N 413.470 5.300 0 40 HKAB O=C(Nc1cccc2ccccc12)c1cccc(C(=O)Nc2cccc3ccccc23)c1 797347 HMXYLLKWCAZPEH-UHFFFAOYSA-N 416.480 6.498 0 40 HKAB CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2cccc(Cl)c2)c2ccccc21 832674 TVDYOGKGVPLVES-XDHUDOTRSA-N 418.924 5.873 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccn2)c2cccs2)c1C 936778 XOLWDIQRUUNPTN-NRFANRHFSA-N 419.575 6.275 0 40 HKAB Nc1c(C(=O)Nc2ccncc2)sc2nc(-c3cccc(C(F)(F)F)c3)ccc12 1073844 BUXSUIUXWXAWCY-UHFFFAOYSA-N 414.412 5.212 0 40 HKAB O=C(CCCCC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 1662212 RBJLRVJENHMBEB-UHFFFAOYSA-N 424.132 5.838 0 40 HKAB O=c1c2ccccc2n(Cc2cccc3ccccc23)c(=O)n1-c1ccc(Cl)cc1 2204590 XKCWHHCVACLPEC-UHFFFAOYSA-N 412.876 5.007 0 40 HKAB Cc1nn2c(N3CCC(Cc4ccccc4)CC3)c3c(nc2c1-c1ccccc1)CCC3 2210978 GMKIFHQQATZJEP-UHFFFAOYSA-N 422.576 5.653 0 40 HKAB O=C(NC1c2ccccc2Oc2ccccc21)NC1c2ccccc2Oc2ccccc21 2273489 XWEYDSIYIFOLQK-UHFFFAOYSA-N 420.468 6.076 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cc(C)cc(C)c2)cc1 2337422 CNKMSMIYXDYJFC-UHFFFAOYSA-N 414.505 5.158 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(-c2nc3ccccc3[nH]2)c1 2373816 NMWFUUMQFPQBLM-UHFFFAOYSA-N 412.276 5.554 0 40 HKAB CCn1c(NC(=O)c2ccccc2C)c(-c2ccccc2Cl)c(=O)c2ccccc21 2435120 OHQFPVKSRLONOV-UHFFFAOYSA-N 416.908 5.903 0 40 HKAB Cc1ccc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4=O)c1 2483515 PKOVNRJEOMIYHZ-UHFFFAOYSA-N 419.502 5.523 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(NC4CCCCCC4)ncnc32)cc1 2714724 XQOGXVRGDXJVMT-UHFFFAOYSA-N 412.537 6.231 0 40 HKAB CC[C@@H](C)Sc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1 2721638 HKZSKZFTJMPQAK-CYBMUJFWSA-N 407.944 5.718 0 40 HKAB CCCC[C@@H](CC)C(=O)Nc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1 3101100 FTODWQSDDJEIDC-OAQYLSRUSA-N 414.549 6.820 0 40 HKAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3cc(F)c(F)c(F)c3F)n2)cc1 3176830 AHPOIMFKFPZKKR-UHFFFAOYSA-N 408.420 5.916 0 40 HKAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 3190472 QDZHVDJQQFUSJT-FPWWFTSNSA-N 415.492 5.411 0 40 HKAB biogenic Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccccc3N3CCCCC3)cc12 3242137 FAVQTLDCZCDMDC-UHFFFAOYSA-N 416.550 5.638 0 40 HKAB Cc1cc(C)c(-c2nnc(NC(=O)c3cccc(Br)c3)s2)c(C)c1 4070365 SRWBAPFGTDMTGL-UHFFFAOYSA-N 402.317 5.145 0 40 HKAB Brc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccncc1)O2 4176640 SXBBPJLDOJWJHX-PZJWPPBQSA-N 406.283 5.086 0 40 HKAB CCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2cccs2)cc1 4341966 QLZKNZWTVZAFCS-UHFFFAOYSA-N 404.491 5.490 0 40 HKAB CCc1ccc(C2(c3ccc(CC)cc3)C[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc1 4481892 DRRBPNLHRWIULV-XMMPIXPASA-N 403.953 6.410 0 40 HKAB CCc1nc2sc(C(=O)c3cccc(Br)c3)c(N)c2c2c1CCCC2 4561067 IFFGVVJQQRAUEC-UHFFFAOYSA-N 415.356 5.313 0 40 HKAB CCCCCC[C@@H](C)NC(=O)CCCC(=O)Nc1ccc(OCc2ccccc2)cc1 4681451 PEXHVXZMTZMZBT-OAQYLSRUSA-N 424.585 5.850 0 40 HKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1cccc(Br)c1 4745976 GOTVDYSSLSAQPB-UHFFFAOYSA-N 409.308 5.978 0 40 HKAB CC[C@@]1(C)N=C(c2ccc(Br)cc2)C(=S)N1C(=O)c1ccc(C)cc1 4891724 PDRZSDQHCVBBJL-FQEVSTJZSA-N 415.356 5.156 0 40 HKAB CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc1 4906883 KHWMMNOVUASODC-XFEIEMKPSA-N 419.609 5.639 0 40 HKAB C[C@@H](CCc1ccccc1)Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl 4927277 LPFJKZPFIMEUIY-QNHAZURESA-N 411.977 5.255 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3)c2C(N)=O)C1 5902814 MDCZSNWWNUOIQA-MUAYPFOZSA-N 416.974 5.303 0 40 HKAB COc1ccccc1OCCn1c(COc2cc(C)ccc2C)nc2ccccc21 6753160 IOAJVZUQIMNOIC-UHFFFAOYSA-N 402.494 5.320 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 7668800 CNSUPZVLCONEIH-SFHVURJKSA-N 412.961 5.574 0 40 HKAB O=C(NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)[C@H]1Cc2ccccc2O1 7961918 YMGPOQQBESXWIT-YADARESESA-N 416.908 5.073 0 40 HKAB CCCCc1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2c1 8150752 VCQZEHLDFZQVED-UHFFFAOYSA-N 410.926 6.805 0 40 HKAB CC(C)Oc1cccc(C(=O)Nc2nnc(CSCc3ccccc3F)s2)c1 9136061 DXQRHPGMNFJRNM-UHFFFAOYSA-N 417.531 5.150 0 40 HKAB Cc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cccc(C)c2C)cc1 9427346 SQVSCWLORPUQEK-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)Nc1cccnc1Cl 9492555 LGMRIFPURTYLPA-UHFFFAOYSA-N 422.941 5.058 0 40 HKAB O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccc(F)cc1 9503931 XPJUACKKZCSMPM-UHFFFAOYSA-N 415.921 5.828 0 40 HKAB CC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)/C=C/c4ccccc4)ccc3o2)cc1 9660169 PLRXKQRRBKZMMJ-OVCLIPMQSA-N 409.485 6.235 0 40 HKAB Cc1ccc(-n2c(SCc3coc(-c4cccs4)n3)nnc2N2CCCC2)cc1 9869484 VGMKQPNACSBIJQ-UHFFFAOYSA-N 423.567 5.185 0 40 HKAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2cccc(Cl)c2)cc1 11866448 VWPMZEDUDABNHG-UHFFFAOYSA-N 407.853 6.023 0 40 HKAB biogenic CC(C)C(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)cs1 12220097 ZPOVMRIYUHGXMP-UHFFFAOYSA-N 423.513 5.137 0 40 HKAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(-c2nnc3n2CCCCC3)cc1 13041891 HFDFEKQSJDRTPU-UHFFFAOYSA-N 415.324 5.160 0 40 HKAB Cc1cc(CSc2ccccc2C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)no1 14169720 JMYZBRRFMNDMIQ-HNNXBMFYSA-N 423.563 5.718 0 40 HKAB CCCCCCOc1ccc(CNc2ccccc2OCCOc2ccccc2)cc1 19738444 AZBBRLMOHQOOHT-UHFFFAOYSA-N 419.565 6.716 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccc(-c2ccc(CO)o2)cc1 20150989 MXSCYZQYJDFOBX-SDNWHVSQSA-N 419.864 6.004 0 40 HKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20458584 OSNCOSITLSTMKM-JOCHJYFZSA-N 407.897 5.676 0 40 HKAB O=C(NC(=S)Nc1ccc(N2CCCCC2)c(F)c1)c1cccc2ccccc12 21577301 SQTNPEVFMFTLDM-UHFFFAOYSA-N 407.514 5.096 0 40 HKAB O=C(Nc1nc2c(s1)CCCCC2)c1cnn(-c2ccccc2F)c1C(F)(F)F 24832054 VAHLRWLOPKVYES-UHFFFAOYSA-N 424.423 5.008 0 40 HKAB COc1ccc([C@@H]2CCCCCN2C(=O)c2sc3nc(C)nc(C)c3c2C)cc1 32754586 IONSYZPJTIAQMC-IBGZPJMESA-N 409.555 5.383 0 40 HKAB O=C(NC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12)[C@H]1CCCO1 32994597 ZFZHPSLUDNOEEF-ISKFKSNPSA-N 410.517 5.262 0 40 HKAB COc1ccc(C)cc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38849457 WHGJPRZJFZGYTH-UHFFFAOYSA-N 407.341 5.161 0 40 HKAB FC(F)(F)c1cc(NCc2nc(-c3ccsc3)no2)ccc1Br 40009450 DKIWFQZSTJZJDY-UHFFFAOYSA-N 404.211 5.192 0 40 HKAB Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1NC(=O)c1ccccc1 40086792 WUJDJEYZAWPSGO-VWLOTQADSA-N 421.500 5.162 0 40 HKAB CC(C)(c1ccccc1)c1ccc(OCC[C@H]2CCCNC2)c(Br)c1 42770652 XXDYJIYSDADCIT-QGZVFWFLSA-N 402.376 5.544 0 40 HKAB CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(-c3ccccc3)cc1)NC2 55214605 YMBJUTJKIOXNDY-MUUNZHRXSA-N 424.544 6.134 0 40 HKAB COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)c(OC)c1 63451407 GFVZXOZSTSXANW-UHFFFAOYSA-N 418.424 5.417 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4C)nccn3n2)cc1C 67289797 NGMSNKRBBUKVGA-UHFFFAOYSA-N 402.523 5.052 0 40 HKAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(Cl)ccc2C)n1 67296829 KLDITDTYTOJSGV-RWEWTDSWSA-N 403.869 5.583 0 40 HKAB Cc1ccc([C@H](c2ccccc2C)N2CCN(C(=O)NC3CCCCC3)CC2)cc1 72260007 OOWZNMIZBZRZST-RUZDIDTESA-N 405.586 5.053 0 40 HKAB CCc1ccc(NC(=O)c2nnc(CN(C3CC3)[C@@H]3CCc4ccccc43)s2)cc1 89286294 USTVRZOGMGJYAK-OAQYLSRUSA-N 418.566 5.005 0 40 HKAB C[C@@H](c1ccccc1)n1c(SCC(=O)c2ccc3c(c2)CCC3)nc2ccccc21 96191745 VVYOSCJBZKSXCR-SFHVURJKSA-N 412.558 6.109 0 40 HKAB O=C(NCCc1ccc(Br)cc1)OCC1c2ccccc2-c2ccccc21 98181559 NWEHUKGQZFBKMF-UHFFFAOYSA-N 422.322 5.530 0 40 HKAB COc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3ccc(F)cc3)C[C@@H]21 103177107 KJVAJZAJVZWKBQ-URXFXBBRSA-N 420.509 5.799 0 40 HKAB CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)ccc1O 104068345 ZNYYVRPARDRSAJ-XMMPIXPASA-N 420.509 5.603 0 40 HKAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCC(C)C 106707096 RQOAAVHZCVFIFG-MTJSOVHGSA-N 411.523 5.275 0 40 HKAB C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118913217 GMBQZIIUCVWOCD-UXFLACCZSA-N 416.646 5.794 0 40 HKAB in-vitro Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 223394284 XDJHIOMKOJRSMH-LOSJGSFVSA-N 424.573 5.353 0 40 HKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 224444598 QEIWMJKZLPVWHB-XZOQPEGZSA-N 415.493 5.658 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1c1ccc(Cl)cc1 224460584 FEDLMODKYUYJEW-FCHUYYIVSA-N 422.985 5.829 0 40 HKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225004608 RJNYYTZORSVEFL-RTWAWAEBSA-N 408.586 5.075 0 40 HKAB CCOC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c1 225505995 CDIUSAWPIRVUML-JOCHJYFZSA-N 404.535 5.248 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCN3CCCC[C@@H]3C)cc2)CCCCCC1 225659461 OSEDLCMJMAFEEX-NRFANRHFSA-N 416.606 5.398 0 40 HKAB COc1ccc(NC(=O)CCc2nc(-c3cccc4ccccc34)no2)cc1Cl 225829008 VUIAEDGCEXOFPC-UHFFFAOYSA-N 407.857 5.123 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)cc1Cl 225866545 VYFTXIWVWSPAJY-UHFFFAOYSA-N 416.974 5.581 0 40 HKAB CC(C)Oc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cc1C(F)(F)F 225957044 DBTWAMAJKHWYCU-UHFFFAOYSA-N 413.867 6.353 0 40 HKAB CCCCCCOc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 408585634 GRVNNDJVOGGKEE-UHFFFAOYSA-N 416.517 6.352 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(C)cc2)cc1 408724110 FMMIEXCCOQRUPK-UHFFFAOYSA-N 401.897 6.062 0 40 HKAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S1 408812285 SCWAILQESILCFV-UHFFFAOYSA-N 413.881 5.811 0 40 HKAB O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1CCCc1ccccc1 409137171 VLTZJNOCVIMATD-GHRIWEEISA-N 402.313 5.118 0 40 HKAB CCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(C)c1-c1ccc(OC)cc1 409196013 SGIXJMIHYQBTBK-ATJXCDBQSA-N 421.349 5.373 0 40 HKAB O=C(CCc1ccccc1Br)N[C@@H](c1ccsc1)c1cccs1 618256018 MPRDIPDRNXFZOL-SFHVURJKSA-N 406.370 5.411 0 40 HKAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 1615548425 WXEHYCNBKBCMTJ-UHFFFAOYSA-N 402.343 5.625 0 40 HKAB O=C(CSCc1ccccc1)Nc1nnc(-c2ccc(Cl)c(Cl)c2)s1 659577 AGKTUBYSJZEUTG-UHFFFAOYSA-N 410.351 5.384 0 40 HKAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4Cl)c(N)c3cc2C1 661724 ARMLNAOBGBKYFG-JTQLQIEISA-N 420.365 5.953 0 40 HKAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc5c6c(cccc46)CC5)cc3n2)cc1C 667102 QUOXLSZQJBDGNL-UHFFFAOYSA-N 418.500 5.541 0 40 HKAB O=C(Nc1c(Cl)cc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccccc1 847181 WUEWVVULJRBBDJ-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB CCn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)c1ccc(Cl)cc1 925356 UVOOLWLQWKDZED-UHFFFAOYSA-N 421.353 5.192 0 40 HKAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C=C/c1ccccc1 1480942 IGMMJBOIOYWVNG-NTEUORMPSA-N 407.491 5.252 0 40 HKAB Cc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc5ccccc5c4)coc3c2)cc1 1772396 BTEZNJROTFZDEN-UHFFFAOYSA-N 422.436 6.266 0 40 HKAB CC(C)c1ccc(NC(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1 2091726 KPOWWWSEMCEWNN-UHFFFAOYSA-N 413.473 5.601 0 40 HKAB biogenic Cc1ccc(-c2nnc3sc([C@@H](C)c4ccc(-c5ccccc5)c(F)c4)nn23)cc1 2182982 ZWCNLJMFYXGERC-INIZCTEOSA-N 414.509 6.119 0 40 HKAB CC(C)(C)c1ccc(CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1 2203181 HDRMTSZBDUGLNN-UHFFFAOYSA-N 417.553 6.663 0 40 HKAB CCCCSc1nnc2n(CC)c(=O)c3c(n12)-c1ccccc1CC31CCCCC1 2292291 WRDHKBUXFHCZJI-UHFFFAOYSA-N 422.598 5.228 0 40 HKAB c1ccc(CSc2nnc3c4c5c(sc4nc(-c4ccccc4)n23)CCC5)cc1 2335377 XQDBULIIJBOFRI-UHFFFAOYSA-N 414.559 5.787 0 40 HKAB O=C(CSc1ccc(Br)cc1)Nc1ccc(C2CCCCC2)cc1 2534494 CQEDYYQVHGGXIM-UHFFFAOYSA-N 404.373 6.228 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)CCC(=O)c2cccs2)c2ccccc2)c1 3250451 MHURQCWWPZEEKY-HSZRJFAPSA-N 421.518 5.251 0 40 HKAB CN(C(=O)CC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 3286815 UKJZEUZHAMGSJK-UHFFFAOYSA-N 405.541 6.457 0 40 HKAB CC(C)(C)c1ccc(NC(=O)COC(=O)CCCc2nc3ccccc3s2)cc1 3302117 RPRVTVCHHZNMGY-UHFFFAOYSA-N 410.539 5.098 0 40 HKAB CCOC(=O)c1c(Nc2nc(-c3ccc([C@H](C)CC)cc3)cs2)sc(C)c1C 3320357 FJIRMMUFNOYPQN-CYBMUJFWSA-N 414.596 6.922 0 40 HKAB COc1ccc(-c2csc(NC(=O)Cc3coc4cc(C)ccc34)n2)cc1OC 3422958 DSDUMYNLTFMTFT-UHFFFAOYSA-N 408.479 5.063 0 40 HKAB CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2c(C)cccc12 4130160 OUQOTDADRFBHDU-UHFFFAOYSA-N 413.546 5.898 0 40 HKAB COc1ccc(NC(=O)c2ccc3c(c2)[C@H]2[C@H]([C@H]4CC[C@@H]2C4)[C@H](c2ccccc2)N3)cc1 4150581 RQVPWBZWWKETMY-PQZCAHFCSA-N 424.544 6.244 0 40 HKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CC(C)(C)C)cc1OC 4353944 QPJDABAUSNGGRS-UHFFFAOYSA-N 410.470 5.077 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)NCC56CC7CC(CC(C7)C5)C6)(C4)C2)C3)cc1 4661474 JBOZESARKKAUMK-FEDQGFLZSA-N 417.637 6.166 0 40 HKAB COc1cc2c(cc1OC)[C@H]1CCCC[C@@H]1O[C@@H]2c1cccc(Br)c1 4788415 BWNAZAWQUGLOEV-FYINFDKHSA-N 403.316 5.612 0 40 HKAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc(COc2ccccc2)nc2ccccc12 4936868 YWAZTTWQCPLFGQ-ROUUACIJSA-N 421.566 5.090 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)c1 5698247 SJRAISVFJWGEQU-DOTOQJQBSA-N 404.392 5.006 0 40 HKAB CCCn1c(SCCCC(=O)c2cccs2)nc2sc3c(c2c1=O)CCC3 6097333 YPHODSFNWQJHLU-UHFFFAOYSA-N 418.609 5.173 0 40 HKAB Cc1cc(NC(=O)c2cccc(Oc3ccccc3)c2)n(-c2nc3ccccc3[nH]2)n1 6160803 FISCRXQIEFQSMI-UHFFFAOYSA-N 409.449 5.102 0 40 HKAB Cc1cc(C)c2nc(SCC(=O)c3cc(C)n(C[C@@H]4CCCO4)c3C)cc(C)c2c1 6330279 YBNGKMUISOLAHX-FQEVSTJZSA-N 422.594 5.732 0 40 HKAB O=C(CCCc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6650731 KGTVLHVTFLSHLB-VWLOTQADSA-N 422.532 5.467 0 40 HKAB Cc1nc(-c2ccc(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)cc2)cs1 8131970 ALAJZKOLSMLBLI-UHFFFAOYSA-N 417.490 5.525 0 40 HKAB CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccc(Cl)cc21 8298726 CGHQAUIDGCNQMP-XDHUDOTRSA-N 418.924 5.873 0 40 HKAB Cc1ccc(C2=N/C(=C\c3ccccc3OC(=O)c3ccc(Cl)cc3)C(=O)O2)cc1 8443057 MWKJCYNLOKYNMF-ZHZULCJRSA-N 417.848 5.212 0 40 HKAB C=C1c2cc3c(cc2CCN1C(=O)c1cc(Cl)cc(Cl)c1Cl)OCCCO3 9129544 NODJSXXAUHUPRN-UHFFFAOYSA-N 424.711 5.477 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)cc1 10747689 HYCGXUDXLVAFMY-UHFFFAOYSA-N 422.506 5.996 0 40 HKAB CCn1ncc2c(C(=O)Nc3ccc(Cl)cc3F)cc(-c3cccs3)nc21 11425542 NXWNCMOVBDGTQC-UHFFFAOYSA-N 400.866 5.225 0 40 HKAB CSc1ccc([C@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(F)cc2)cc1 12365013 TUAYFDYEFMNXJQ-DEOSSOPVSA-N 421.581 7.271 0 40 HKAB C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)NC(c1ccccc1)c1ccccc1 12609336 BUGFFRLHODBHOS-OAHLLOKOSA-N 416.468 5.487 0 40 HKAB CCOC(=O)c1sc2cccc(F)c2c1CSc1ncn(-c2ccccc2)n1 12995449 FLLNQAGRGGGFLI-UHFFFAOYSA-N 413.499 5.090 0 40 HKAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cccc(C(F)(F)F)c1 13005394 KSNHHFCYNZTVFT-UHFFFAOYSA-N 407.417 5.250 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 13098008 BVHIJKZERDRUSN-FXAWDEMLSA-N 409.574 5.023 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)c1 13350056 LTVKAPQMKJPENN-UHFFFAOYSA-N 401.491 5.590 0 40 HKAB N[C@H](Sc1nc(=O)n(C2CCCCC2)c2c1CCC2)c1cccc2ccccc12 15840357 NDHNCJKBQJOWDB-JOCHJYFZSA-N 405.567 5.140 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)(C)C)c3)nc2c1 17090453 BIGANPLPGXQAGP-UHFFFAOYSA-N 415.946 5.624 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3cccnc3Cl)c3ccccc3n2)cc1OC 17092017 GGKOIXRUTYIDAX-UHFFFAOYSA-N 419.868 5.220 0 40 HKAB Cc1noc(-c2c[nH]nc2[C@H]2CCCCN2Cc2ccc(Cl)c(Cl)c2)c1C 19557926 KZHFELJSGTUJGU-GOSISDBHSA-N 405.329 5.716 0 40 HKAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccccc1Br 20137845 SMKKCFAOUKIDNS-UHFFFAOYSA-N 406.663 5.107 0 40 HKAB COc1ccc(C(=O)N2CN([C@H](C)c3ccccc3)Cc3c2sc(C)c3C)cc1 20218819 QJXANYIGWNTASY-QGZVFWFLSA-N 406.551 5.555 0 40 HKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc2ccccc12 20454560 WMAWOKGZPWQGBT-HTAPYJJXSA-N 404.510 5.164 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 20493562 BLSPZIJLVMWXSV-GOSISDBHSA-N 408.712 6.596 0 40 HKAB CCCCC(=O)Nc1ccc2nc(SCCOc3ccccc3Cl)sc2c1 20895179 OBJDLVYSDGVSSB-UHFFFAOYSA-N 420.987 6.250 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1 27747156 CKFNANCLIFCHRZ-UHFFFAOYSA-N 401.260 5.144 0 40 HKAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cc(Cl)c(N)c(Cl)c1 27995095 HBZTYGNXEVVSSB-UHFFFAOYSA-N 423.325 5.120 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220594 MUFBUKBKCFCXON-FQEVSTJZSA-N 420.940 5.983 0 40 HKAB CN(Cc1nc2ccccc2s1)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 32868873 FEQPZXSYGPZUHA-UHFFFAOYSA-N 414.490 5.014 0 40 HKAB O=C(CN1CCCCC1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 34718939 IFAGTGSSDRZZGP-AOSIDENFSA-N 413.565 5.296 0 40 HKAB CCNc1nc2c(s1)[C@H](c1cccc(OCc3ccccc3Cl)c1)CC(=O)N2 35327350 HUPFOYPGLOSXPB-INIZCTEOSA-N 413.930 5.281 0 40 HKAB COc1cc(-c2nc3ccccn3c2Nc2ccc(C)c(Br)c2)ccc1O 35616380 AUCZFPYQNIRLRQ-UHFFFAOYSA-N 424.298 5.530 0 40 HKAB CC(C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(C34CC5CC(CC(C5)C3)C4)nc21 36617070 RPZYDRVZUIKVNU-UHFFFAOYSA-N 423.504 5.522 0 40 HKAB Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2Nc2ccc(O)cc2)n1 39370724 NJQNCGSLHSDMFE-UHFFFAOYSA-N 400.269 5.188 0 40 HKAB CCc1cccc(CC)c1NC(=O)COc1ccc(C(C)C)cc1Br 40942523 IWULEYAWTOYJEQ-UHFFFAOYSA-N 404.348 5.715 0 40 HKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccccc3C)o2)c1 59179493 OWIOGMWCRBEQCB-UHFFFAOYSA-N 411.527 5.120 0 40 HKAB CN(Cc1ccccc1NC(=O)c1cc(Cl)sc1Cl)C(=O)OC(C)(C)C 62233951 RNDCQLDPXOYXQH-UHFFFAOYSA-N 415.342 5.674 0 40 HKAB O=C(N[C@@H](c1ccccc1)c1ccccc1Br)c1ccccc1Cl 67192377 KEERLIDVCPEBRV-IBGZPJMESA-N 400.703 5.622 0 40 HKAB Brc1ccc(C2(c3nnc(CC4CCCCC4)o3)CCOCC2)cc1 71889971 LAQPKHAWFCOOLY-UHFFFAOYSA-N 405.336 5.051 0 40 HKAB Cc1ccc(-c2nn3c(nc2=O)-c2ccccc2NC32CCC(C(C)(C)C)CC2)cc1 101459272 CSKOQKHBHSYWQF-UHFFFAOYSA-N 414.553 5.595 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)CCSc2ccc(Cl)cc2)c2ccccc2O1 223155333 BEEFNLVKZYGTEW-LJQANCHMSA-N 403.975 6.021 0 40 HKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(CC)cc1 223694313 UQIUYFKRILDNTN-VWLOTQADSA-N 422.613 5.214 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1cccc(C)c1 224383189 OPVOXJHLCQQFFB-UHFFFAOYSA-N 411.501 6.378 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1CSc1ccc(Cl)cc1 224672373 RQCDKHLQNLQBPB-UHFFFAOYSA-N 415.917 6.422 0 40 HKAB CCCOCc1cc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1OCC 224710501 TUQHHCCNGKMYAK-UHFFFAOYSA-N 421.562 6.415 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(C)ccc3OC)o2)c1 224901564 KNBJCQBUPFIPMX-UHFFFAOYSA-N 414.461 5.587 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)N[C@H]1CC2(CCCCC2)Oc2ccccc21 225342344 PWINENGFBJQKKX-FQEVSTJZSA-N 418.364 6.269 0 40 HKAB C[C@H]1C[C@@H](C)CN(CCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)C1 225503801 XXGWLARKQLWWQF-SZPZYZBQSA-N 420.597 5.494 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225653582 UAHSICXXFVUCJK-AREMUKBSSA-N 411.586 6.587 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c2ccccc12 225763440 OGIOWILYQMOPGL-IBGZPJMESA-N 419.540 6.997 0 40 HKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225846183 VVHGDKOCUMYBSW-HXOBKFHXSA-N 407.551 5.355 0 40 HKAB CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OCC)c2)CCCCCC1 225852629 PWHGWKINQUXAGK-SFHVURJKSA-N 419.562 5.499 0 40 HKAB Cc1nc2cc(C(=O)N(C)[C@H](C)c3c(F)cccc3F)ccc2n1-c1ccccc1 328593214 IHSYCFHQIBOUHL-OAHLLOKOSA-N 405.448 5.445 0 40 HKAB Cc1cc(Br)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1C 408912563 NWKHYOIJOBBPSF-NSHDSACASA-N 417.130 5.779 0 40 HKAB Cc1cccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c1C 409119827 ULFLTKHMNJCOLF-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccccc3Cl)cc2Cl)c1 409183926 VGRWXDZWUMQARB-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB COc1cc(-c2nc3ccccc3s2)c(Br)c(Br)c1O 409268877 YZIGRWODCCQANC-UHFFFAOYSA-N 415.106 5.203 0 40 HKAB CCCOc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC 409353325 JBYXRSIWHYTMNW-XDHOZWIPSA-N 417.914 5.768 0 40 HKAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 2037845927 HZVNTKDJECZKKA-JOCHJYFZSA-N 403.457 5.253 0 40 HKAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(C3CCCC3)C[C@H]2C[C@@H]1Oc1ccccn1 2332242738 MOJAVSXVERVNCF-IKVMQTKTSA-N 416.569 5.013 0 40 HKAB COc1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 1177180 NIJMJFICBBEJPP-SFQUDFHCSA-N 409.489 5.508 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)c3cccs3)cc2c1 1359372 QOWPBWTZUBCTSO-UHFFFAOYSA-N 420.509 5.134 0 40 HKAB CCSc1nc(Oc2cccc(C(F)(F)F)c2)c2cnn(-c3ccccc3)c2n1 1403681 MGXIHAZIVXAMEH-UHFFFAOYSA-N 416.428 5.739 0 40 HKAB Cc1nc2cc(NC(=O)c3ccc(Br)cc3)ccc2n1-c1ccccc1 1510391 BSACGQCGYOOMKJ-UHFFFAOYSA-N 406.283 5.349 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)c1ccccc1Cl 2283421 YXLKIFZFXVRSGK-UHFFFAOYSA-N 413.926 6.114 0 40 HKAB O=c1oc2c(Cl)cc(Cl)cc2cc1-c1nc(-c2ccc3c(c2)OCO3)cs1 2352992 XGELVANBXHTZIU-UHFFFAOYSA-N 418.257 5.619 0 40 HKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 2410867 APZFQPPERFTWML-AWEZNQCLSA-N 412.942 6.240 0 40 HKAB CCC[C@H](C)NC(=O)COC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12 2642950 LKAHHUNATOHNLT-HNNXBMFYSA-N 424.928 5.325 0 40 HKAB Clc1ccc(-c2cc3ccccc3nc2Oc2ccc(Cl)cc2Cl)cc1 3050870 JXPCIDVAECOETA-UHFFFAOYSA-N 400.692 7.654 0 40 HKAB O=C(c1ccccc1Oc1ccccc1)c1c(-c2ccc(Cl)cc2)cc2ccccn12 3241500 ZZNFCYQZTRDSMF-UHFFFAOYSA-N 423.899 7.283 0 40 HKAB COc1cc(/C=C/C(=O)Nc2ccccc2Cc2ccccc2)ccc1OC(F)F 3256806 DKIQNZXSRDSJPX-WYMLVPIESA-N 409.432 5.539 0 40 HKAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC(Cc5ccccc5)CC4)[C@H]3C=C12 4042279 UQMJNEBBJGQUEV-JZBYRABOSA-N 407.598 5.255 0 40 HKAB biogenic O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1c(F)cccc1F 4071274 GXHCIEVLNODFAH-UHFFFAOYSA-N 408.429 6.133 0 40 HKAB CC1=C(CC[C@@H](C)CO)O[C@H]2C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]12 4081834 IQDKIMJGXXRZGR-KEYZACALSA-N 416.646 5.698 0 40 HKAB biogenic CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@]5(C)CCC(=O)O5)[C@@]4(C)CC[C@@H]32)C1 4083692 ZSUHSKYVVTXINZ-MSLQNIFFSA-N 414.586 5.593 0 40 HKAB biogenic O=C(c1cc(-c2ccccc2)nc2ccccc12)N(c1ccccc1)c1ccccc1 4129557 FYCJGKJUGHZLQW-UHFFFAOYSA-N 400.481 6.880 0 40 HKAB O=C(CSc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3)NC1CCCC1 4213778 RDHOLZAGZOXMLF-UHFFFAOYSA-N 423.607 5.388 0 40 HKAB CC(C)C(=O)n1nc(NCc2ccc(Cl)cc2)nc1NCc1ccc(Cl)cc1 4703228 LLBURKRWYUKEJI-UHFFFAOYSA-N 418.328 5.105 0 40 HKAB COc1ccc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc1 4848618 WTJBSQTXVAZBDV-UHFFFAOYSA-N 414.530 5.565 0 40 HKAB aggregator CCc1sc(-c2cc3cc(Br)ccc3oc2=O)nc1-c1ccccc1 4957118 VQCCPFRJKUOCLE-UHFFFAOYSA-N 412.308 5.908 0 40 HKAB COc1ccc(NCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)cc1 6161546 WROBPYJHLAJOKE-UHFFFAOYSA-N 422.337 5.100 0 40 HKAB CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/C=C/c1ccccc1 6355916 QYEWIKUOADPXHO-HPCWQSOUSA-N 410.315 5.220 0 40 HKAB Cc1ccc(-n2c(SCC(=O)N[C@@H]3CCCC[C@@H]3C)nnc2-c2ccccc2)cc1 6421361 NBBONYKZHSZVFW-GHTZIAJQSA-N 420.582 5.030 0 40 HKAB CCc1ccc2nc(NC(=O)CSC(=S)N3[C@@H](C)CCC[C@@H]3C)sc2c1 6508682 DNSNAZPGXXXCRY-STQMWFEESA-N 407.630 5.078 0 40 HKAB CCOc1ccc(-c2nc(CSc3ccc4c(c3)OCCO4)cs2)cc1OC 6602479 SSVKNDXVICOTMB-UHFFFAOYSA-N 415.536 5.281 0 40 HKAB CCC(=O)N1c2ccccc2[C@H](N(C(=O)Nc2ccccc2)c2ccccc2)C[C@@H]1C 6759017 HWWPGHGGWNLTCF-YADARESESA-N 413.521 6.002 0 40 HKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(C)c(Cl)c4)c3)oc2c1 6860177 SOUNBVITZKBGPZ-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB O=C(CCc1c[nH]c2ccccc12)Nc1nnc(SCc2ccccc2F)s1 6879457 ATQBOFKIWHPZHX-UHFFFAOYSA-N 412.515 5.022 0 40 HKAB O=C(CCc1nc2ccccc2s1)N1CCc2sccc2[C@@H]1c1cccs1 7947322 GJYGUFIXNOLXBE-OAQYLSRUSA-N 410.589 5.526 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(NC3CC3)s2)c2ccccc2)c1 7990889 ZYHGGWHZHMLNGQ-GOSISDBHSA-N 410.568 5.201 0 40 HKAB Cc1cccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2cc(Cl)ccc2C)c1 8476763 YXWVRKPRWDFENR-UHFFFAOYSA-N 408.933 5.267 0 40 HKAB COc1ccc(Nc2nc(Nc3cc(C)ccc3C)c3nccnc3n2)cc1Cl 9075068 NDTHAYAXPWZAPK-UHFFFAOYSA-N 406.877 5.186 0 40 HKAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(-c2ccccc2F)o1 9166122 IAOKUIWFYRNCBQ-UHFFFAOYSA-N 423.362 5.382 0 40 HKAB Cc1ccc2oc(-c3ccc(CNC(=O)C4(c5ccccc5)CCCC4)cc3)nc2c1 10372817 KZEGPCFLLYHBDM-UHFFFAOYSA-N 410.517 5.931 0 40 HKAB C[C@@]1(C(=O)c2ccccc2)[C@@H]2c3c(ccc4ccccc34)OC(=O)[C@@]21C(=O)c1ccco1 12384143 GSVOTNZTSXDSKF-CAVYSCNFSA-N 422.436 5.208 0 40 HKAB CC[C@@H](C)c1ccc(-c2csc(Cc3nnc4n3-c3ccccc3SC4)n2)cc1 12554622 MAGHKXNUWYMOKF-OAHLLOKOSA-N 418.591 6.101 0 40 HKAB COc1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)c(OC)c1 15654243 ZADFDHZADAGKCI-UHFFFAOYSA-N 420.490 5.390 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 16322624 YWCYBRGYKAJKKL-UHFFFAOYSA-N 405.885 5.679 0 40 HKAB CC(C)(C)CC(=O)N[C@H](C[C@@H]1CCCCN1CCc1ccccc1)c1ccccn1 19082735 UEFCZRUOQRMROD-LADGPHEKSA-N 407.602 5.162 0 40 HKAB O=S(=O)(Nc1ccccc1Br)c1ccc(Oc2ccccc2)cc1 20112131 FZMBTHHIVUUHQP-UHFFFAOYSA-N 404.285 5.042 0 40 HKAB Cc1cc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)ccc1Br 20460931 VMNSISOPEBQYPV-UHFFFAOYSA-N 419.171 5.936 0 40 HKAB COc1cccc(CN(C)[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1OC 22374018 DZINHKXVYNZSME-DEOSSOPVSA-N 414.505 5.241 0 40 HKAB CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@@H]1[C@H]2C 30677934 QASFUMOKHFSJGL-FNAQTUHFSA-N 411.630 5.002 0 40 HKAB CCC(=O)N(CC[C@]1(c2ccc(Cl)cc2)CCOC(C)(C)C1)Cc1ccco1 32103673 IJQLQFFYUMFYHZ-QHCPKHFHSA-N 403.950 5.589 0 40 HKAB Cc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1 33327312 KFMRREVMNTWEHC-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C\c3ccc(-c4ccccc4)cc3)NC(=O)CCN21 33490629 RROWJIDBOKEPEV-MHDFUNISSA-N 408.545 5.689 0 40 HKAB biogenic O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38850666 OEPXIBYIWBDZGB-QFIPXVFZSA-N 418.512 5.255 0 40 HKAB CCc1nn2c(ncc3c(=O)n([C@@H]4CCCC[C@H]4C)ccc32)c1-c1ccc(Cl)cc1 40397457 PLRBERMZJFQLQR-FOIQADDNSA-N 420.944 5.678 0 40 HKAB CC(C)(c1ccccc1)c1ccc(OCC[C@@H]2CCCCN2)c(Br)c1 42770656 BIZACYMNRXBVGM-IBGZPJMESA-N 402.376 5.686 0 40 HKAB O=C(CSc1nncc2ccccc12)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 53774965 KSDFZNQRFWIHDC-SFHVURJKSA-N 418.349 5.392 0 40 HKAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@H]12 59433426 MGHRHDBICUBGPV-IOXNAGQWSA-N 407.513 5.264 0 40 HKAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccccc3C(=O)NC(C)C)s2)c(C)c1 60203802 BMDVZURPSASWTO-UHFFFAOYSA-N 407.539 5.126 0 40 HKAB Cc1ccc(-c2cc3c4nnc(SCc5ccc(Cl)cc5)n4ccn3n2)cc1C 67260642 WOBNXLHBFMSPDC-UHFFFAOYSA-N 419.941 5.607 0 40 HKAB Cc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)cc1C 71327564 BXXZLJFJXQUTPQ-UHFFFAOYSA-N 410.539 5.555 0 40 HKAB O=C(c1ccc(Cl)cc1)C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 72272862 WMWICAXBSSWFFW-UHFFFAOYSA-N 402.321 5.147 0 40 HKAB O=C(c1cnc2ccc(Cl)cc2c1NCc1cc(F)cc(F)c1)N1CCCCC1 72328468 TYVIOMSYXYFASE-UHFFFAOYSA-N 415.871 5.405 0 40 HKAB C=Cn1cccc1C(=O)N1CCC[C@@H](c2[nH]c3ccc(C)cc3c2-c2ccncc2)C1 72396790 PQXIWZITKCMNEN-HXUWFJFHSA-N 410.521 5.460 0 40 HKAB O=c1c2ccccc2c(-c2nc(-c3ccccc3Cl)no2)cn1-c1ccc(F)cc1 96324375 ZDNQYIASEBYEIN-UHFFFAOYSA-N 417.827 5.500 0 40 HKAB CCc1ccc(-c2nc3ccc(NC(=S)NC(=O)c4ccccc4)cc3o2)cc1 98086913 RELCDRPBEVFEHT-UHFFFAOYSA-N 401.491 5.184 0 40 HKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc2c(c1)OCO2 102789009 KKRVNEPPAHJEPD-XMMPIXPASA-N 418.493 5.618 0 40 HKAB C[C@H]1CC[C@@H]([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 118932694 PNCADIYJKRZFGU-HKTUEGPFSA-N 417.678 5.001 0 40 HKAB C[C@H]1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118936409 CIBAPVLFORANSS-NVSURVLOSA-N 414.630 6.002 0 40 HKAB in-man O=C(COc1ccc2ccccc2c1)NCCSCc1c(Cl)cccc1Cl 222832706 IYGGGNDIMYMFKY-UHFFFAOYSA-N 420.361 5.575 0 40 HKAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)C(c1ccccc1)c1ccccc1 222934947 JQMPIZATWOMBAQ-INIZCTEOSA-N 406.323 5.559 0 40 HKAB CCCOCc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OC 224419378 JYKWRTQFSRAGGF-UHFFFAOYSA-N 401.812 5.546 0 40 HKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3Cl)cc2)c1 224997236 KMRYIMSZDCSCTE-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C 225029079 OCFVYPDBPUGZIX-VWLOTQADSA-N 420.597 5.102 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)ccc21 225131295 UXVAQGOWVPERQI-GFCCVEGCSA-N 406.960 5.417 0 40 HKAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1Cl 225527821 UCNJXGYTPOUYSY-OAHLLOKOSA-N 422.352 5.858 0 40 HKAB Cc1cc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc(C)c1OCC(C)C 225555343 ZGOCDHXPXLIYEI-UHFFFAOYSA-N 413.989 6.832 0 40 HKAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1ccccc1Sc1ccccc1 225725073 HJBPBKPJHASNPS-UHFFFAOYSA-N 420.921 5.445 0 40 HKAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(OC(C)C)cc2)cc1OCC 225751657 JQFSEUMDVWVZPJ-INIZCTEOSA-N 402.560 5.319 0 40 HKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1ccc(Cl)cc1Cl 225828383 PYNVJDXRULPFRH-UHFFFAOYSA-N 412.276 5.768 0 40 HKAB C[C@H]1C[C@@H](C)CN(C[C@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)C1 231433004 OVAHSFANFACHDY-VWPQPMDRSA-N 419.650 5.016 0 40 HKAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3nc4ccc(F)cc4[nH]3)C2)n1 257328074 XEACVPVJQLLWCN-SFHVURJKSA-N 414.484 5.092 0 40 HKAB O=C(CSCc1c(F)cccc1Cl)Nc1ccccc1Oc1ccccc1 408575622 OGGDXRZKRVJXGA-UHFFFAOYSA-N 401.890 6.143 0 40 HKAB CCc1ccccc1NC(=O)c1cc2c(N3CCCCC3)nc(SC)nc2s1 408624969 WHWYEFWDSQYFAI-UHFFFAOYSA-N 412.584 5.218 0 40 HKAB Cc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 408700097 YUOKXLOPEXCZNW-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB COc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1cccc(C)c1 409200419 LHMZBUIBFYWTAX-UHFFFAOYSA-N 403.547 5.316 0 40 HKAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/C=C\c3ccccc3)C2=O)cc1 409344417 JEDKVJQDRLQHOW-URSQURDQSA-N 406.507 5.041 0 40 HKAB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2ccccc2Cl)n1 409386771 XMEPWJWKHLPOLQ-UHFFFAOYSA-N 404.322 5.490 0 40 HKAB C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 840478 PGSQIZMQCWKPQP-RADKVMJMSA-N 407.435 6.187 0 40 HKAB Cc1ccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)cc1C 904225 UZDXJECHNDGOSD-UHFFFAOYSA-N 405.548 5.706 0 40 HKAB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OCc1ccc(Cl)cc1Cl 1022577 VCOFMLMWKFMAJK-CAOOACKPSA-N 424.305 5.295 0 40 HKAB Cc1cc(C)c2[nH]c(=O)c(-c3nc4cc(C)ccn4c3NC3CCCCC3)cc2c1 1376119 ARMCBYVYDWSAFR-UHFFFAOYSA-N 400.526 5.513 0 40 HKAB COc1cc(SC)ccc1C(=O)N1CCn2c3c(c4cc(C)ccc42)CCC[C@H]31 1431291 KCWZXVUZRVQYAO-OAQYLSRUSA-N 406.551 5.214 0 40 HKAB O=C(Nc1ccc(Br)cc1)Oc1ccccc1C(=O)Nc1ccccc1 1739431 NKVQOVDAOKLJBM-UHFFFAOYSA-N 411.255 5.312 0 40 HKAB Cc1ccc(OCCCOc2c(-c3ccc(C)cc3)oc3ccccc3c2=O)cc1 1791334 ZLVBSAJFGOLYGV-UHFFFAOYSA-N 400.474 5.925 0 40 HKAB Cc1ccc(Br)cc1SCC(=O)Oc1ccc(Br)cc1 1791494 JFPWERKDKDDKPQ-UHFFFAOYSA-N 416.134 5.218 0 40 HKAB CCN(CC)c1nc(=O)n(-c2nc(-c3ccccc3)oc2-c2ccccc2)cc1Cl 1799802 CMDKQOUVELIVNB-UHFFFAOYSA-N 420.900 5.054 0 40 HKAB Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c2)c1 2069822 MXFGCOAAAPIEMU-FQEVSTJZSA-N 414.549 6.188 0 40 HKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O[C@@H](C(=O)O)c3ccccc3)ccc12 2121762 FOCNIRGAVARVFX-XMMPIXPASA-N 414.457 5.205 0 40 HKAB biogenic CCCSc1nc2c(c(=O)n1-c1ccc(C)cc1)C1(CCCC1)Cc1ccccc1-2 2254553 YKZAWLRSMWXTCZ-UHFFFAOYSA-N 416.590 6.078 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccc(C)c(C)c4)ncnc32)cc1 2715171 GWJCNZGELFLQHE-UHFFFAOYSA-N 420.516 6.457 0 40 HKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 2887723 CTMWGXMBBXLNQH-UHFFFAOYSA-N 405.445 5.112 0 40 HKAB CC(C)CN(CC(C)C)C(=S)Oc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 3089200 KCTAZQTXHFCSJU-UHFFFAOYSA-N 418.990 5.870 0 40 HKAB Cc1ccc(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1Cl 3164052 CBYBVFXBOPEDBC-UHFFFAOYSA-N 407.837 7.366 0 40 HKAB Cc1ccsc1-c1nc2ccccc2n1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 3764176 MJQHISWCSHQJBT-UHFFFAOYSA-N 418.606 7.363 0 40 HKAB Cc1[nH]c2ccccc2c1[C@H]1[C@H](CCNC(=O)c2ccc(Cl)cc2Cl)C1(C)C 3765616 YKJXQGJNRWZOPV-LAUBAEHRSA-N 415.364 6.343 0 40 HKAB CCC(=O)N(CC[C@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccccc1 4027018 ORVCDMJZVJGXJV-JWQCQUIFSA-N 407.598 5.879 0 40 HKAB biogenic Cc1sc2c(c1C)C(=O)N[C@H](c1ccc(-c3ccc(Br)cc3)o1)N2 4501935 RZHCAXCWHYLSGU-INIZCTEOSA-N 403.301 5.242 0 40 HKAB COc1ccc(N2CN(c3ccc(F)cc3)Cc3c(-c4ccc(F)cc4)n[nH]c32)cc1 4649964 UCRICIVIUAKUHV-UHFFFAOYSA-N 418.447 5.479 0 40 HKAB CCc1cc2c(C)cc(C)cc2nc1SCC(=O)Nc1ccc(NC(C)=O)cc1 4849457 AUTMVZWVVFWMQO-UHFFFAOYSA-N 407.539 5.103 0 40 HKAB CN(C)C(=O)[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)c1ccccc1 5505181 AUIFPNDNYGRNAT-QFIPXVFZSA-N 417.509 5.358 0 40 HKAB CCCCCCc1c(C)c2cc(Cl)c(OCc3ccccc3F)cc2oc1=O 5548291 AVIKQJFRGVBPNC-UHFFFAOYSA-N 402.893 6.596 0 40 HKAB Cc1cccc(C)c1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 6063710 FAFUWSZVDNCCKC-UHFFFAOYSA-N 410.473 5.314 0 40 HKAB CC(=O)c1sc(NC(=O)/C=C/c2nc3ccccc3s2)nc1-c1ccccc1 6235240 GMCOYWFYHKUNQZ-VAWYXSNFSA-N 405.504 5.274 0 40 HKAB Cc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 6368756 RSHFZDDROFLRSC-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 6449707 OKSXUXLJZWJFQT-SFHVURJKSA-N 414.505 5.704 0 40 HKAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3coc4cc(C)ccc34)n2)cc1 6887181 BZGNYFDDAYRFFW-UHFFFAOYSA-N 405.479 5.004 0 40 HKAB COc1cc(CNC2CCCCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 7523373 NNRLWKRREGBNGO-UHFFFAOYSA-N 422.396 6.784 0 40 HKAB COc1ccc(-c2cc(NC(=O)CCc3nc4ccccc4s3)ccc2OC)cc1 7639170 RHGDYLPFHDBOTC-UHFFFAOYSA-N 418.518 5.552 0 40 HKAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccccc1Cl 8255847 MRVRCRVHUUNSMV-NSHDSACASA-N 404.948 5.114 0 40 HKAB Cc1cc(CSc2ccccc2C(=O)Nc2ccc(Oc3ccccc3)cc2)no1 8274974 IEXNYMZTCMYOHV-UHFFFAOYSA-N 416.502 6.320 0 40 HKAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 8445693 JLSDBNLKHBYPSI-BKUYFWCQSA-N 424.283 5.917 0 40 HKAB Fc1ccccc1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 9292400 SYBBVXWKLQAOTA-PZJWPPBQSA-N 422.301 6.084 0 40 HKAB Cc1cc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3cccs3)c2cc1C 9304261 GOMPWMNDMVBTPG-UHFFFAOYSA-N 415.470 6.137 0 40 HKAB biogenic Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3Br)o2)cc1C 9790786 ITTYBCXHXRPLBH-ZDUSSCGKSA-N 417.328 5.479 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccc4c(c3)OCO4)C[C@H]21 10215819 FKFCBITVXQBREZ-WZONZLPQSA-N 420.490 5.118 0 40 HKAB CC(C)c1ccc(CCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 10338342 CFZXZAOHVIIMRE-UHFFFAOYSA-N 410.410 6.099 0 40 HKAB COc1cc(OC)c2[nH]c(C(=O)Nc3nc(-c4cc(C)sc4C)cs3)cc2c1 12764868 MNAQJSCEBSSLPX-UHFFFAOYSA-N 413.524 5.239 0 40 HKAB C[C@H](NC(=O)[C@@H](NC(=O)c1cccs1)c1ccccc1)c1ccc2ccccc2c1 12928614 YJOPELWHTIHSJM-SBUREZEXSA-N 414.530 5.250 0 40 HKAB CCc1ccc([C@@H](NC(=O)c2ccc(Br)o2)c2cccc(F)c2)cc1 12949085 FKGLMJQBBSETSX-LJQANCHMSA-N 402.263 5.263 0 40 HKAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccc(Cl)cc1Cl 14070105 MJPQWYWCNZUFAB-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB O=c1[nH]c(SC[C@H]2CC2(Cl)Cl)nc2scc(-c3ccc(F)cc3)c12 14854095 SMOJEHLZGOPQKV-SECBINFHSA-N 401.315 5.077 0 40 HKAB COc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)ccc1OCc1ccccc1C 16362739 HQRDFKYGXHTRMP-PDGJQCAJSA-N 419.609 6.421 0 40 HKAB C[C@H]1CCCN(c2ccc3cccc(OCc4ccc(C(F)(F)F)cc4)c3n2)C1 17245709 ARANBCPGXAPBCK-INIZCTEOSA-N 400.444 6.069 0 40 HKAB c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCCN3Cc3ccncc3)n2)cc1 19373058 VSWOSONNBWFQEV-DEOSSOPVSA-N 422.536 5.404 0 40 HKAB CC(C)n1c([C@H](C)NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)nc2ccccc21 19661935 UQQWSJCUIPEPDP-LBPRGKRZSA-N 415.419 5.003 0 40 HKAB COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1-c1ccc(CO)o1 20137069 DKFVVUPOMMJWFW-UHFFFAOYSA-N 413.473 5.218 0 40 HKAB COc1ccccc1CNCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 20365351 NMEOYLUNPQMPFS-UHFFFAOYSA-N 402.321 5.028 0 40 HKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 20454144 YTUYAIKBIXSJMO-RUZDIDTESA-N 421.512 5.495 0 40 HKAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCSCc3ccccc3Cl)cc2)C1 20495143 IJHYFOAPQNBHAV-GOSISDBHSA-N 417.018 5.235 0 40 HKAB O=C(CSCc1ccc(F)cc1)NCCSCc1ccc(Cl)cc1Cl 30752285 LURMRDIBKZGAQF-UHFFFAOYSA-N 418.386 5.415 0 40 HKAB COc1cc(Br)c(CNc2ccc(Br)cc2C)cc1OC 35018451 HKPSFKBIJXQICL-UHFFFAOYSA-N 415.125 5.149 0 40 HKAB Cc1cc(C(=O)Nc2cccc(Cl)c2C)c2c(C)nn(-c3ccc(F)cc3)c2n1 36616935 RBLMCMGLMCTJRZ-UHFFFAOYSA-N 408.864 5.391 0 40 HKAB COc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2cccc(C)c2)cc1 41076821 KBBVTMFPXRODAN-UHFFFAOYSA-N 418.518 5.099 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)c2cccnc12 41157059 PFOOFZQGMYVCKT-UHFFFAOYSA-N 408.255 5.213 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1C 44856361 YSJVSHHVLCRZSE-QGZVFWFLSA-N 419.396 5.700 0 40 HKAB Cc1ccc(C2=C(Cl)/C(=C\CN(C)C)[C@@H](c3ccccc3)c3ccccc3O2)cc1 58476312 SKHITEJNZGODQD-PBMMVTTKSA-N 415.964 6.615 0 40 HKAB biogenic Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N[C@@H]1COc2ccccc21 58729476 YFCVDQMTXFXACU-OAHLLOKOSA-N 404.413 5.001 0 40 HKAB Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)cc1C 67293136 LCFHSTAKMUZMNF-RWEWTDSWSA-N 406.869 5.458 0 40 HKAB CCCCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215766 KYZQOFNHZDVXNK-JOCHJYFZSA-N 415.622 6.483 0 40 HKAB CC1=C(C)C[C@H](C(=O)N2CCC(c3ccc(Nc4nc(C)cc(C)n4)cn3)CC2)CC1 72374364 AGKLTMMHWFPNQK-OAQYLSRUSA-N 419.573 5.075 0 40 HKAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](Sc1nc(-c3ccccc3)c(-c3ccccc3)o1)C2=O 100928428 UTQZKCXZZKAKBJ-FKRCVWNDSA-N 403.547 6.495 0 40 HKAB CC[C@H](C)C(=O)N1c2ccccc2[C@@H](N(C(=O)[C@H](C)CC)c2ccccc2)C[C@@H]1C 101176311 WYDOYBRGEXKRFI-VKDGWMQASA-N 406.570 5.978 0 40 HKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Sc4ccc(C)cc4)o3)C2=O)cc1 106702104 WKOUAGYATFYYMR-MOSHPQCFSA-N 421.543 6.284 0 40 HKAB CCc1nc(S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)O)n[nH]1 213389633 YNBRHMLYMPJIOD-ZSOIEALJSA-N 410.282 5.152 0 40 HKAB CCc1nnc(S/C(=C\c2cccc(OCc3ccccc3Cl)c2)C(=O)O)o1 213414547 UXZUECMDZBYMML-BOPFTXTBSA-N 416.886 5.082 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1nc(-c2ccccc2Cl)no1 219353174 ZADTUMPIOUHFKC-FQEVSTJZSA-N 421.884 5.017 0 40 HKAB CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 222847383 XWEXBAGKYPTHCA-VXKWHMMOSA-N 407.539 5.121 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1C(C)C 223386286 RMJRCHDEWIWUJS-OAHLLOKOSA-N 408.369 6.244 0 40 HKAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223475667 NTMNAXUKEHEGRU-VWLOTQADSA-N 422.544 5.312 0 40 HKAB CCN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224623548 DYBJZHXTXPWRJA-UHFFFAOYSA-N 408.734 5.179 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccccc1CN1CCCCC1 224850228 DJOLVUMMFGXONW-QHCPKHFHSA-N 414.977 5.108 0 40 HKAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 224857930 ABOLRYYXZJPFFF-UHFFFAOYSA-N 405.281 5.618 0 40 HKAB CCOC(=O)c1cccc(NC(=S)NCCSCc2ccccc2Cl)c1C 225296882 VQCHEYSDEWOYOU-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB CCCC(=O)N(Cc1ccccc1F)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 225389165 QOTMEJVHXHVAHY-XMMPIXPASA-N 424.560 5.015 0 40 HKAB C[C@@H](NC(=S)Nc1ccc(Br)cc1F)c1ccc(C(C)(C)C)cc1 225406377 FKOBLCVKDMBWIU-GFCCVEGCSA-N 409.368 5.933 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)c(C)c1 225500351 WYCXCEHOLZHGCJ-OAQYLSRUSA-N 414.571 5.254 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225848046 RQKMEMMWPTYDJS-QHCPKHFHSA-N 407.551 5.355 0 40 HKAB Cc1cccc(C2(NC(=S)Nc3ccc(Br)c(Cl)c3)CCCC2)c1 225859703 ULPSWTGKUAQDHM-UHFFFAOYSA-N 423.807 6.167 0 40 HKAB O=Cc1cn(C(=O)c2ccc(-c3ccc(F)cc3Br)o2)c2ccccc12 226769572 FRHVAKSFHOYINF-UHFFFAOYSA-N 412.214 5.304 0 40 HKAB CCC[C@H]1O[C@@H]2c3cc(C(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1cccc(Cl)c1 257217494 CZFDRGNSJPVMMV-UGGKCQTMSA-N 414.929 6.239 0 40 HKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260812521 DXZVBTNARMVXHV-OFVILXPXSA-N 418.622 5.501 0 40 HKAB O=C(O)c1ccc(CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)o1 408554944 VUMCXLPIRFGXAH-UHFFFAOYSA-N 414.792 5.399 0 40 HKAB COc1ccc(CC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1OC 408575791 RLBRRMQPLNOAMA-UHFFFAOYSA-N 405.538 5.353 0 40 HKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(Br)cc2C)cc1 408579237 FASAXVPLLOJZHH-UHFFFAOYSA-N 415.356 6.004 0 40 HKAB COc1cc2c(cc1C)-c1nc(NC(=O)c3cccc4ccccc34)sc1CC2 409054159 NFADFAQAHGOPEL-UHFFFAOYSA-N 400.503 5.631 0 40 HKAB COc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccccc2)cc1 409094746 FUHLPLLLWASRMC-UHFFFAOYSA-N 423.541 6.388 0 40 HKAB CC(C)CN1C(=O)/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccc21 409113157 GXSFLQBHGRSVMF-MOSHPQCFSA-N 405.582 6.530 0 40 HKAB Cc1ccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)cc1 409117823 OJCBNFRWLHGSRX-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB CCn1c(COc2ccc(C)cc2OC)nnc1SCc1ccc(Cl)cc1 409342686 GAZXQLXPYNNWIY-UHFFFAOYSA-N 403.935 5.140 0 40 HKAB O=C(CC[C@H]1CCCO1)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643576458 ZYRMKYYHZKJYCS-OAQYLSRUSA-N 424.541 5.115 0 40 HKAB CC(C)Cn1c([C@H]2CCCN2C(=O)CCCCCn2cccc2)nc2ccccc21 1615151850 GPNURBWJHRFMEE-HSZRJFAPSA-N 406.574 5.418 0 40 HKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc12)Nc1ccccc1F 922137 ZZAGHVJUBZISJP-UHFFFAOYSA-N 407.445 5.306 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccccn4)ncnc32)cc1 1447632 NQJUFLHJGWNGDK-UHFFFAOYSA-N 407.477 5.103 0 40 HKAB CC(=O)N1c2ccccc2Sc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21 1614916 ZAYHTINHCHFWIJ-UHFFFAOYSA-N 407.335 5.148 0 40 HKAB CCOc1ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)c(C(F)(F)F)oc2c1 1916166 KESYTHKDXZPRDA-UHFFFAOYSA-N 412.791 6.273 0 40 HKAB Clc1ccc(SC2=CC[C@H]3C[C@H]2CC=C3Sc2ccc(Cl)cc2)cc1 2051102 JOVKNWKNQJSUOX-GASCZTMLSA-N 405.415 8.076 0 40 HKAB CC[C@H](C)COC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 2374242 GNHWYQXKCNAHMW-INIZCTEOSA-N 406.530 5.260 0 40 HKAB Cc1oc2cc(OC(=O)c3ccccc3F)ccc2c(=O)c1-c1ccc(Cl)cc1 2399741 VUUPGQBCJZJZSL-UHFFFAOYSA-N 408.812 5.780 0 40 HKAB biogenic O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 2895281 ZXBYJOALAJTANE-UDWIEESQSA-N 421.811 5.043 0 40 HKAB COc1ccccc1CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 3330411 OOYQMNAHDXUDTI-UHFFFAOYSA-N 406.448 5.276 0 40 HKAB C[C@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(F)c(F)c1F 3434236 LMIBHMBRZLIMFY-AWEZNQCLSA-N 400.400 5.122 0 40 HKAB CCN(CC)C1=NC(C)=C(C(=O)OC(C)C)[C@H](c2ccccc2C(F)(F)F)S1 3764780 DZNJRAAOPOSGGR-KRWDZBQOSA-N 414.493 5.417 0 40 HKAB CCc1ccc2oc(-c3ccc(NC(=O)COc4cc(C)cc(C)c4)cc3)nc2c1 4703910 BOJUMQFVCXIODD-UHFFFAOYSA-N 400.478 5.692 0 40 HKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@@H](c2ccc(Cl)cc2)N1 5071901 LSCMSVNPHXIXLW-OAQYLSRUSA-N 400.869 5.139 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C)n2-c2ccccc2)c1 5394559 SEQPXAHSDOHJEK-UHFFFAOYSA-N 414.534 5.282 0 40 HKAB CCC(=O)N(CC[C@H](c1ccc(F)cc1)c1ccc(OC(C)C)cc1)Cc1ccco1 5500754 QENJVBKWMLEYGE-RUZDIDTESA-N 423.528 6.167 0 40 HKAB CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 5950278 CVRZXPKNFROQAJ-URFUVCHWSA-N 413.904 5.085 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1 6201331 RMZUWAWBTUFIOK-NTCAYCPXSA-N 409.485 6.235 0 40 HKAB Cc1csc(N(C(=O)CCc2c(C)nn(-c3ccccc3)c2C)c2ccccc2)n1 6879836 ANIRCBGMVLNPEQ-UHFFFAOYSA-N 416.550 5.552 0 40 HKAB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c2C)cc1 6966490 OOOYGQMTWRAARD-NLRVBDNBSA-N 404.513 6.621 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2)c2ccncc2)c1C 7277684 LSLXAAHNUACYAT-HSZRJFAPSA-N 413.546 6.214 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(C)c(Cl)c3)c2n1 7735740 YIYHVXPYRUDXKV-UHFFFAOYSA-N 409.700 5.829 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(OC(C)C)cc4)cc3)sc2c1 8562938 ICLIKFGYCGGRDE-UHFFFAOYSA-N 402.519 6.311 0 40 HKAB Cc1ccc(CSc2nc3c(c(=O)[nH]2)C2(CCCCC2)Cc2ccc(C)cc2-3)cc1 8837719 JNPQYLNMAWKKKL-UHFFFAOYSA-N 416.590 6.104 0 40 HKAB COc1ccc(N(Cc2ccccc2)C(=O)c2cc(=O)c3cc(Cl)ccc3o2)cc1 8917346 NDPBIMBDMINTTR-UHFFFAOYSA-N 419.864 5.302 0 40 HKAB CCCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 9139627 LAAIHIVXPNTFLE-UHFFFAOYSA-N 421.353 5.393 0 40 HKAB Cc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccc(C)cc2C)cc1 9427353 YPJZRGAQIUHAKJ-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB COc1cc(NC(=O)c2cccc(C)c2OC)ccc1-c1cc2ccccc2oc1=O 10128920 GABVFFVJEPMGEE-UHFFFAOYSA-N 415.445 5.038 0 40 HKAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1cccc2ccccc12 12023911 JALCWHVBZMWEGP-UHFFFAOYSA-N 403.485 5.623 0 40 HKAB CC(C)c1ccc(Cn2c(COc3cccc4ccccc34)nc3ccccc32)cc1 12401735 PNWFFYVYDAWKKD-UHFFFAOYSA-N 406.529 6.940 0 40 HKAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1nc2ccccc2s1 12789967 HVQDLJKFAWOTJT-OAHLLOKOSA-N 413.351 5.129 0 40 HKAB COc1ccc([C@H]2CCCN2C(=O)CCCOc2ccc(Cl)cc2C)cc1OC 12793606 CMQSDFWWMCBEIW-LJQANCHMSA-N 417.933 5.188 0 40 HKAB CCOC(=O)c1cccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c1 13669312 FTBKXIPJIATSFL-XQNSMLJCSA-N 401.462 5.051 0 40 HKAB COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(C)cc2)cc1 13689416 HFDPMYROTPQTPZ-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB COc1c(Br)cc(Br)cc1CNCc1ccccc1Cl 16194494 CDPPETVBICRCNC-UHFFFAOYSA-N 419.544 5.163 0 40 HKAB Cc1ccc(NC(=O)SCc2ccccc2)cc1NC(=O)SCc1ccccc1 16347569 WINKGBPYZOAHGZ-UHFFFAOYSA-N 422.575 6.926 0 40 HKAB O=C(NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccco1 17089725 ODSCXFUMAHAZOY-UHFFFAOYSA-N 413.911 5.337 0 40 HKAB O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2CN(C3CCCCC3)CC[C@H]21 19347720 MHUGXOPZZCWBDU-MQSCRBSSSA-N 412.574 5.150 0 40 HKAB CCOc1ccccc1NC(=O)c1sc(=S)n(-c2c(C)cccc2CC)c1N 23118997 KUBVYGHHMRRWGL-UHFFFAOYSA-N 413.568 5.372 0 40 HKAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cc2c(s1)CCCC2 24836947 SZLYHFXMUMDTSA-UHFFFAOYSA-N 406.555 5.173 0 40 HKAB CCCOc1ccc(Cc2c(Cl)nc(SC)nc2Cl)cc1C(=O)OCC 26952874 XGHSPGZYUBNNGM-UHFFFAOYSA-N 415.342 5.062 0 40 HKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCC(=O)O)[C@@H]3CC[C@@H]2C1 28536877 FCQRLHQHKFKTQE-HCTDMSSWSA-N 418.618 6.078 0 40 HKAB in-vitro CC1CCN(Cc2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)CC1 30945651 BAGRBUZOMBKVAJ-UHFFFAOYSA-N 411.760 6.131 0 40 HKAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 32127112 IHHBISLANCXCEA-UHFFFAOYSA-N 418.309 5.029 0 40 HKAB O=C(c1csc(-c2ccccc2)n1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 39980484 CNRCCMJINSGZKS-MRXNPFEDSA-N 421.547 5.246 0 40 HKAB C[C@H](NC(=O)c1ccccc1SCc1cn2ccccc2n1)c1cccc(F)c1 40060252 SIOLIVPZBXHNCN-INIZCTEOSA-N 405.498 5.257 0 40 HKAB COc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1OC(F)F 40120816 PCFHAPFPUWXQMH-SFHVURJKSA-N 421.490 5.208 0 40 HKAB Cc1cccc(-c2nn3c([C@@H]4CCCN(C(=O)OC(C)(C)C)C4)ccnc3c2C)c1 57739972 FAVIJFKGDFGMDD-LJQANCHMSA-N 406.530 5.128 0 40 HKAB Cc1cc(SCC(=O)Nc2ccc(C)c(Cl)c2)nc(-c2ccc(F)cc2)n1 67257105 GIRWKJVUTQRJGN-UHFFFAOYSA-N 401.894 5.284 0 40 HKAB Cc1ccc(C)c(CSc2nnc3c4cc(-c5ccc(C)c(C)c5)nn4ccn23)c1 67260616 UBOOZCIRAORKFA-UHFFFAOYSA-N 413.550 5.570 0 40 HKAB Cc1cc(C)c(CC(=O)c2oc3ccccc3c2NC(=O)Cc2ccccc2)c(C)c1 68603833 DSHJQYONAILIQX-UHFFFAOYSA-N 411.501 5.965 0 40 HKAB biogenic Cc1ccc(C(C)C)c(OCc2nn3c(-c4oc5ccccc5c4C)nnc3s2)c1 96194358 DYMJIDXYDRWXDJ-UHFFFAOYSA-N 418.522 5.918 0 40 HKAB Cc1ccccc1C(=O)NC(=S)Nc1ccc2nc(-c3ccccc3C)oc2c1 98086903 BJLWXONJXUIVIZ-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB CCOC(=O)c1c(NC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)sc(C(C)=O)c1C 102398491 XZUBCEHHOYJHTQ-XCAKMYDFSA-N 417.571 5.371 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)c1 102767396 OTTUUZMYIOWXNH-UPVQGACJSA-N 406.888 6.338 0 40 HKAB COc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 106971088 DQDXZQGXBFIKBH-UHFFFAOYSA-N 420.311 6.641 0 40 HKAB CCCc1nc(S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)O)n[nH]1 209155544 YSNCLNVCSUIPRE-VBKFSLOCSA-N 417.575 5.276 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1ccc(Cl)cc1 223010112 DWDWOSRCTRSYTH-LJQANCHMSA-N 412.382 5.509 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1ccccc1 224087017 GKDGHCAVRCEZFJ-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1cccc(Cl)c1 224145183 YUDBLVYDVLSDFS-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB COc1ccc(OCc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2OC)cc1 224266227 WDOVSWUGVFTSOB-UHFFFAOYSA-N 415.848 5.328 0 40 HKAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1cc(C)cc(C)c1 224536914 WHQADFKTTWEKOS-UHFFFAOYSA-N 419.521 5.220 0 40 HKAB CCOc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1COCC(C)C 224743043 KZMFUYVMPZOHLJ-UHFFFAOYSA-N 417.549 5.777 0 40 HKAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1ccc(Cl)cc1 224876379 JNRGGPWYDZXWQN-UHFFFAOYSA-N 405.679 5.329 0 40 HKAB CCc1cccc(C)c1NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224884711 HMRMYLVSDSNBJA-UHFFFAOYSA-N 413.315 5.546 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(F)c(Cl)c3)o2)cc1 224909396 WYNQENUSKVBDDY-UHFFFAOYSA-N 422.843 6.062 0 40 HKAB S=C(NCCC1=CCCCC1)Nc1cccnc1Sc1ccc(Cl)cc1 225190220 PLXATRWCWNEPHV-UHFFFAOYSA-N 404.004 6.063 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NC2(c3ccccc3)CCCC2)cc1Cl 225866489 FAZZCBOOSRFIFB-UHFFFAOYSA-N 402.947 5.273 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC(=O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C 253503925 AYXDXVGGAIDTQI-IMUJTPCMSA-N 402.663 6.792 0 40 HKAB biogenic,in-vitro CC(C)Cc1nc(COc2ccccc2C(C)C)c(C(=O)O)cc1-c1ccccc1F 257234537 GTZXWVHNQCMRBT-UHFFFAOYSA-N 421.512 6.487 0 40 HKAB CC[C@@H]1O[C@@H]2c3cc(CC(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(OC)cc1 257268864 MNOOXZGJVIKRHZ-KDNSLJGTSA-N 410.510 5.133 0 40 HKAB O=C(Nc1c(Cl)cccc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1 408582786 XSSKDLGYAZKVOZ-UHFFFAOYSA-N 422.764 7.191 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccnc3)cc2-c2cccc3ccccc23)cc1 408724161 GRFWCXGTCJVLFA-UHFFFAOYSA-N 404.473 5.648 0 40 HKAB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C\c1ccccc1Cl 408971867 MQBAIDGVEBJYQQ-QPEQYQDCSA-N 408.693 6.206 0 40 HKAB COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)O1 409004123 OERLKKJHIWAJES-BKUYFWCQSA-N 419.864 5.272 0 40 HKAB Cc1sc(Nc2cc(Cl)cc(Cl)c2)nc1-c1ccc(Cl)c(Cl)c1 409047700 PZVXGRYVMSWVEW-UHFFFAOYSA-N 404.149 7.476 0 40 HKAB CCc1ccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 409110789 YQPYRSYXAWGFKN-UHFFFAOYSA-N 401.937 7.247 0 40 HKAB Cc1ccc(Cl)cc1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 409117028 KKUAIXSBRFNPDX-UHFFFAOYSA-N 422.355 7.646 0 40 HKAB Cc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(C(C)C)cc3)sc2C)cc1 409204149 CHDIXINNZSBXJD-UHFFFAOYSA-N 406.551 6.152 0 40 HKAB CC(C)=CCC[C@@]1(C)Oc2ccc(-c3ccc(C(=O)O)cc3)cc2[C@@H]2OCCC[C@H]21 585265920 WYSGYYNEAGLQML-KTIWRFAQSA-N 406.522 6.417 0 40 HKAB O=C(O)/C=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 1505840478 DHOYRUYCXMCELM-ZZXKWVIFSA-N 402.071 5.433 0 40 HKAB O=C(Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1)c1cccs1 706643 XKBBTTKFLXTGLF-UHFFFAOYSA-N 414.313 7.253 0 40 HKAB Nc1nc(Nc2ccc(Cl)cc2)sc1C(=O)c1ccc(Br)cc1 1398615 MSTCWSNQZJEWEO-UHFFFAOYSA-N 408.708 5.116 0 40 HKAB CCOC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3ccc(F)cc3)cc12 1463693 GSJVNXAMYWUYLF-UHFFFAOYSA-N 421.218 5.039 0 40 HKAB biogenic Cc1ccc(Cc2cnc(NC(=O)CCCOc3ccc(Cl)cc3)s2)cc1 1769917 HZDHEFCVAHNRRK-UHFFFAOYSA-N 400.931 5.493 0 40 HKAB CC(C)=CCC/C(C)=C/COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C 2139717 YBYOVABCHBEJMD-CAPFRKAQSA-N 416.561 7.072 0 40 HKAB Cc1ccc(NC(=O)c2c(NC(=O)c3ccc(C)cc3)sc3c2CCCC3)cc1 2307900 LQJXKPCHKBFWHC-UHFFFAOYSA-N 404.535 5.748 0 40 HKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@](C)(CC)OC3 2371911 DTRZNJUIBDMTOK-JOCHJYFZSA-N 414.596 5.581 0 40 HKAB C=Cc1ccc(COc2ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc3c2)cc1 2406036 MXZCVIPEQIZLGJ-UHFFFAOYSA-N 422.402 6.701 0 40 HKAB biogenic COc1ccc(-n2c(SCC(C)C)nc3sc4c(c3c2=O)CCCCC4)cc1 2616295 WGQMXJSBGVPOTD-UHFFFAOYSA-N 414.596 5.473 0 40 HKAB Clc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)cc1 2653803 QMJTYMNXMXRONP-UHFFFAOYSA-N 416.333 6.186 0 40 HKAB O=P(Oc1ccccc1)(Oc1ccccc1)[C@H](O)c1ccc(Cl)cc1Cl 3063507 NQANIQZMWKQPOB-IBGZPJMESA-N 409.205 6.335 0 40 HKAB COc1cc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc(Br)c1O 3225166 KENYDXNUVQSJCV-HXUWFJFHSA-N 422.282 5.152 0 40 HKAB C[C@H](Sc1ncnc2ccccc12)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3245825 PCYBLWJXWQCOKA-VIFPVBQESA-N 412.729 5.709 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2cc(C)cc(C)c2)cc1 3655520 UFNLKZASVYLKMD-UHFFFAOYSA-N 413.473 5.607 0 40 HKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc(C)c(Cl)c4)c3C)nc2c1 3770787 UNMKJRUGXSWHBY-UHFFFAOYSA-N 404.897 6.634 0 40 HKAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)c(OC)c1 4064391 KHTQBWLJEZPZAP-ZICWRXTKSA-N 407.554 5.085 0 40 HKAB biogenic CSc1nc(Sc2cccc(C(F)(F)F)c2)c2sc3ccccc3c2n1 4085507 AKZLMBRTHSMFEA-UHFFFAOYSA-N 408.495 6.736 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2)nc2ccc(C)cc12 4129593 ZVXAFURGQLSLTB-UHFFFAOYSA-N 402.881 6.125 0 40 HKAB Cc1ccccc1-n1nc2c(c1NC(=O)c1cc(Cl)ccc1Cl)CSC2 4176096 SMRIWYRVOBJDNU-UHFFFAOYSA-N 404.322 5.487 0 40 HKAB CCOc1ccc([C@@H]2CC(=O)n3nc(C4C5CC6CC(C5)CC4C6)nc3S2)cc1 4184993 RCFYZOHBOPKVHL-ONGVQUFZSA-N 409.555 5.094 0 40 HKAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)c1 4358805 FRZQMQPKZZFKFX-UHFFFAOYSA-N 405.954 6.112 0 40 HKAB COc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C(C)(C)C)CC4)cc1 4660850 WAKCKXSLXXKZHW-OAHLLOKOSA-N 413.539 5.393 0 40 HKAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H](c1ccccc1)N2 4678275 JWMCNGZAHWTGLW-DZBNJKESSA-N 412.508 6.375 0 40 HKAB CCOc1ccc(-c2cnc(NCc3cccc4ccccc34)n2CCOC)cc1 4679229 XAGQUXXKPOLDOJ-UHFFFAOYSA-N 401.510 5.361 0 40 HKAB c1ccc2c(CN(CCCN3CCOCC3)Cc3cccc4ccccc34)cccc2c1 4699185 CSZYCWXQYPPZLS-UHFFFAOYSA-N 424.588 5.718 0 40 HKAB Cc1ccccc1NC(=O)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 4967118 MDNQJHWMQYIBKS-UHFFFAOYSA-N 412.946 5.126 0 40 HKAB CC[C@H]1CSC(Nc2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)=N1 5701680 IMGOBPRWCTWDJB-FQEVSTJZSA-N 409.558 6.862 0 40 HKAB CCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1cc(C)ccc1C 5708281 YKADYCGYWFTDGA-UHFFFAOYSA-N 408.611 6.534 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1Cl 6846335 VYPPVTRRTGVQSK-UHFFFAOYSA-N 410.351 5.347 0 40 HKAB COc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 6846916 XRFRUVMXYFBDQC-UHFFFAOYSA-N 412.283 5.289 0 40 HKAB COc1ccc(C)cc1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 7604412 WWTJXPWVAOGTGV-UHFFFAOYSA-N 418.880 5.398 0 40 HKAB COc1cc2c(cc1/C=C/C(=O)N1CCC[C@@H]1c1nc3ccccc3s1)O[C@@H](C)C2 7778043 PWRCQJFFXCOSSL-RPNVQLJDSA-N 420.534 5.005 0 40 HKAB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Oc1ccc2oc3ccccc3c2c1 7814791 YRYRQUZFVMWOIJ-UHFFFAOYSA-N 414.866 5.009 0 40 HKAB O=C(O)Cc1c(-c2ccc(F)cc2)nc2ccc(Cl)cc2c1-c1ccccc1F 7847923 ASCKPYJPUDLQGA-UHFFFAOYSA-N 409.819 6.128 0 40 HKAB Nc1c(C(=O)Nc2ccc(Br)cc2)sc2nc(-c3ccco3)ccc12 8666717 PJZTTXDSEFCLRR-UHFFFAOYSA-N 414.284 5.153 0 40 HKAB aggregator Oc1cc(OCc2ccccc2)ccc1-c1n[nH]c(C(F)(F)F)c1-c1ccccc1 8996120 QPCMHOUVLFRVAS-UHFFFAOYSA-N 410.395 6.047 0 40 HKAB Cc1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)c2oc3ccccc3c2n1 9159038 IXZAFVBYXJGTHL-UHFFFAOYSA-N 418.305 5.722 0 40 HKAB O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)c1ccc(F)cc1 9691428 KEKFUHQNLLMEJZ-UHFFFAOYSA-N 424.884 5.153 0 40 HKAB Cc1ccccc1-n1nc(CSc2nc3ccccc3[nH]2)c(-c2ccccc2)c1N 12489110 VMERFPYAXUQMTP-UHFFFAOYSA-N 411.534 5.599 0 40 HKAB Nc1c(C(=O)N2CCc3ccccc32)sc2nc3c(c(-c4ccco4)c12)CCCC3 12970611 GYQKTSQOEFAXIO-UHFFFAOYSA-N 415.518 5.220 0 40 HKAB O=C(NCc1ccc(C(F)(F)F)cc1)N1c2ccccc2Sc2ccccc21 13574598 ZQKYLERAUNEOPI-UHFFFAOYSA-N 400.425 6.218 0 40 HKAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 13685007 AEIPXMZCPBLITR-UHFFFAOYSA-N 400.522 5.252 0 40 HKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 13685399 NEXLQEANZNDVBQ-SFHVURJKSA-N 416.521 5.308 0 40 HKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(CSc2ccccc2)cc1 13709149 WVERSDNKKDTQRD-IBGZPJMESA-N 413.542 6.538 0 40 HKAB CCOc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc3ccccc3n21 13810756 CDZOLELNRWLXCS-UNMCSNQZSA-N 403.913 6.235 0 40 HKAB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(Cl)c(Cl)c1 16384520 KXPJMZBNDXRLNY-UHFFFAOYSA-N 416.742 5.383 0 40 HKAB CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OC 16389991 UQCDDVKDQKFCHL-VGOFMYFVSA-N 405.281 5.255 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1 17058246 GWEBZKVKRQYVNQ-UHFFFAOYSA-N 413.717 5.733 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 17087630 AOVBLRWOYRPISH-UHFFFAOYSA-N 407.341 5.780 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 17090175 MVQNQBHMIXLNKN-GOSISDBHSA-N 414.977 6.107 0 40 HKAB Cc1ccc(C)c(OCc2nnc(SCc3ccc(Br)cc3)n2C)c1 17091374 NFASDQSQLVZWLC-UHFFFAOYSA-N 418.360 5.066 0 40 HKAB O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccccc1Cl 17093742 YDEILFVIHHRTSZ-UHFFFAOYSA-N 423.950 5.744 0 40 HKAB Cc1ccc([C@H](NC(=O)c2ccccc2SCc2ccccc2)c2ccccc2)cc1 20035460 NKOWJHFZSMVOHO-HHHXNRCGSA-N 423.581 6.807 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NCc1ccc(C(=O)O)cc1 20150897 KKEJPKOZBSOWTD-JXMROGBWSA-N 416.260 5.281 0 40 HKAB c1ccc(C2(c3ccccc3)O[C@@H](c3ccc4cccnc4c3)Nc3ccccc32)cc1 20436278 VMWLKKSBRKQVIP-NDEPHWFRSA-N 414.508 6.668 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Sc2ccc(OC)c(OC)c2)cc1 20454548 ASZTWBSOJAZVOM-JXFKEZNVSA-N 417.571 5.097 0 40 HKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20499862 ILFDJCHBIWHQFD-JOCHJYFZSA-N 406.913 6.264 0 40 HKAB Cc1nc2sc(C(=O)Nc3ccccc3Br)c(N)c2c(C)c1Cl 22146344 WIWDPQXUUONODR-UHFFFAOYSA-N 410.724 5.164 0 40 HKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccccc1Oc1ccccc1 22246060 ZVLAPVIFDIUMBP-UHFFFAOYSA-N 419.481 6.379 0 40 HKAB COc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)ccc1OCc1cccnc1 24842641 MSOWCLFIFFBSGA-QHCPKHFHSA-N 424.928 5.450 0 40 HKAB COc1ccccc1-c1nc(-c2cccc(NC(=O)CSc3ccccc3)c2)no1 28221942 VCHGWGLXUOCRCV-UHFFFAOYSA-N 417.490 5.143 0 40 HKAB COc1ccc(CN[C@@H](C)c2cccc(C(F)(F)F)c2)cc1OCc1cccnc1 30543590 QOQIKTFTFZOOAL-INIZCTEOSA-N 416.443 5.539 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2SCc2ccccc2)cc1 30860176 JUABTGHMWZUNIG-DEOSSOPVSA-N 419.590 6.505 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc3cnccc3o2)c(Cl)c1 32094383 VICLOHYVKAPVPS-UHFFFAOYSA-N 414.248 5.458 0 40 HKAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2csc(-c3ccccc3)n2)cc1 32741118 ODGGKWZDMYAEIK-UHFFFAOYSA-N 413.546 5.610 0 40 HKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(I)cc1C 44840187 YRLAMNWNFPYPDF-QGZVFWFLSA-N 423.294 5.013 0 40 HKAB Cc1nc(C)c([C@@H](C)NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)s1 58406754 UDNAWLIYQLRERB-CQSZACIVSA-N 421.497 5.712 0 40 HKAB COc1ccc(OC)c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)c1 67296907 LUNLBCNYVHEAMM-RFBIWTDZSA-N 414.461 5.243 0 40 HKAB Cc1cccnc1Nc1ccc(C2CCN(Cc3c(C)nn(C(C)C)c3C)CC2)nc1 72374327 YJPBMJVKKLHONC-UHFFFAOYSA-N 418.589 5.302 0 40 HKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccc(Cl)cc1Cl 102181967 LJFCDDSEVZYXAO-SKLAPFLYSA-N 417.174 6.056 0 40 HKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(Cl)cc1 102642105 JXJFGPARDFWDTQ-QHCPKHFHSA-N 408.929 6.543 0 40 HKAB CCCOc1c(Br)cc(CNc2ccc(C)cc2)cc1Br 106964379 KBWLKIXTIIQYRF-UHFFFAOYSA-N 413.153 5.921 0 40 HKAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)cc3n2)cc1 107794031 JIZFZFWGLYNTKH-UHFFFAOYSA-N 422.488 5.858 0 40 HKAB C[C@@H](Oc1ccc(-c2nn(C)cc2-c2ccncc2)cc1)c1ccc2ccccc2n1 137120624 JYFZUNQQRAJGHS-GOSISDBHSA-N 406.489 5.837 0 40 HKAB CC(C)Oc1cccc(CNC(=O)COc2ccc(C(C)C)cc2Br)c1 218873372 DWJKBPCGBKMKOB-UHFFFAOYSA-N 420.347 5.055 0 40 HKAB O=C(NCCOCc1ccccc1)c1ccc(CSc2ccc(Cl)cc2)cc1 223395318 BGKXJQDSSVWJTG-UHFFFAOYSA-N 411.954 5.579 0 40 HKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1ccccc1Cl 223835627 WXJLCMINBMSAPV-MRXNPFEDSA-N 403.975 5.036 0 40 HKAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1cc(C)cc(C)c1 224532973 BIQXNGYULPTVRC-UHFFFAOYSA-N 411.448 5.812 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCCC4)cc3)CCCC2)cc1 225513165 ZACQKOWCOGTFQZ-UHFFFAOYSA-N 406.570 5.310 0 40 HKAB Cc1ccccc1CSCCCNC(=S)Nc1ccc(Br)cc1 225600046 AVWYJELWOPAXEY-UHFFFAOYSA-N 409.418 5.367 0 40 HKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)c(C)c1 408640913 KJKXEKJDNAFYMD-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB O=C(NCCSCc1cccs1)c1ccc(CSCc2ccccc2)cc1 408906317 GGWRKQDWUWUWGR-UHFFFAOYSA-N 413.633 5.845 0 40 HKAB COc1ccc2c(Cl)c(C(=O)Nc3cccc4ccccc34)sc2c1Cl 408973194 XJHMVKDKWBPWEH-UHFFFAOYSA-N 402.302 6.622 0 40 HKAB COCCN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 409135026 PKETWLYPEDQPJK-SFQUDFHCSA-N 405.928 5.174 0 40 HKAB COc1ccc([C@H](C)CC(=O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)cc1 507275692 BSBLGYVDVRZZQM-WZONZLPQSA-N 403.526 5.333 0 40 HKAB C[C@@H]1CCc2c(sc3nc(CC(=O)Nc4ccc(Cl)cc4Cl)nc(O)c23)C1 644987524 NIXAYKHCHHBZAR-SECBINFHSA-N 422.337 5.010 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)C(/C=C\c4ccccc4)=CC[C@H]32)C1 2049238316 FLDVEKQSXXBPDV-XXJZKNCOSA-N 418.621 7.211 0 40 HKAB Cc1ccc(C2=C[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)NC(=S)N2)cc1 642450 DTGVSGFSADPBJK-XMMPIXPASA-N 422.557 5.408 0 40 HKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4cc(Cl)ccc4OC)c(N)c3cc2C1 661818 IRJJKJNEHWYWEK-LLVKDONJSA-N 415.946 5.308 0 40 HKAB COc1ccc([C@@H]2[C@H](Oc3ccccc3C)C(=O)N2c2ccc(C)c(C)c2)cc1OC 717823 HZISXYCFMQXQMF-RPBOFIJWSA-N 417.505 5.165 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)cc1 900604 RHTLOFHAESFJOZ-UHFFFAOYSA-N 414.534 5.033 0 40 HKAB CCOC(=O)C1=C(C)Nc2c(cnn2-c2ccc(F)cc2)[C@@H]1c1ccc(Cl)cc1 1401037 FWAVMSACZIUSCG-FQEVSTJZSA-N 411.864 5.059 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1C 2059413 XLTHASYYJQYGSI-UHFFFAOYSA-N 422.484 6.526 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(OCC)c(Cl)c2)sc2c1CCCC2 2137272 FNNIIKZLIGEONM-UHFFFAOYSA-N 407.919 5.108 0 40 HKAB CCCCCOC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 2181623 CBOBFNAHDKHBDG-UHFFFAOYSA-N 406.265 5.141 0 40 HKAB FC(F)(F)c1ccc(-c2nnc3sc(-c4cccc(C(F)(F)F)c4)nn23)cc1 2182964 YJOXSFFRTJOLBI-UHFFFAOYSA-N 414.334 5.557 0 40 HKAB CC(C)(C)[C@H](/C=C/c1ccc(Cl)cc1Cl)n1nnnc1C1(N)CCCCC1 3097888 CXTRZRNCZCZICX-VMSUTVGLSA-N 408.377 5.399 0 40 HKAB CC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)c3c2[C@H]2CC[C@]3(C)C2(C)C)cc1 3166422 GIDULPZDMIBFIE-IBVKSMDESA-N 413.521 5.502 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@@H](C)CCc3ccccc3)cc12 3262527 OZTNLEVTLVLDOH-HNNXBMFYSA-N 423.969 5.800 0 40 HKAB CCN(C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)C1CCCCC1 3280128 IZSZNMHVCVSBRR-UHFFFAOYSA-N 401.963 5.844 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3cc(SC)ccc3Cl)n2)cc1OC 3427565 SCLAWYCDYQTCEE-UHFFFAOYSA-N 420.943 5.455 0 40 HKAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 3655473 BRQZKLNHFBPEPV-HNNXBMFYSA-N 403.409 5.209 0 40 HKAB Cc1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccc(Cl)cc4)OC3=O)cc2)cc1 3669824 ICYWALCIQPPSRO-STZFKDTASA-N 417.848 5.212 0 40 HKAB Cc1cccc(Cn2cc(SCC(=O)N3CCc4ccccc43)c3ccccc32)c1 4059680 RGGJKHHNXZWUDG-UHFFFAOYSA-N 412.558 5.679 0 40 HKAB Cc1cc(C)cc(C(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1 4570855 JLQIAHYDLWVHPM-UHFFFAOYSA-N 404.457 5.418 0 40 HKAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccc(F)cc3)c2c1 4610383 INJCXVREGHGKDM-UHFFFAOYSA-N 404.872 6.509 0 40 HKAB Cc1ccc(-c2csc(N3N=C(c4ccc(C)c(C)c4)C[C@@H]3c3ccccc3)n2)cc1 4652667 DUTLBTMWOCVTBO-AREMUKBSSA-N 423.585 7.091 0 40 HKAB O=C(CSc1nc2cc(Cl)ccc2c2c1CCCC2)N1CCCc2ccccc21 4858574 ZUXJKZBDTZHYFL-UHFFFAOYSA-N 422.981 5.839 0 40 HKAB O=C(Nc1ccccc1Cl)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1 4883144 JWMBMROYEFZTDP-YQQQUEKLSA-N 401.913 5.186 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CN1Cc1ccccc1 4903618 BKCROMLWFMBCOL-HXUWFJFHSA-N 415.924 5.254 0 40 HKAB COc1cc2[nH]c(=S)nc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC 4919052 PVKVWVPOSOSYQU-UHFFFAOYSA-N 405.479 5.845 0 40 HKAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nc(COc2ccccc2)nc2ccccc12 4936862 YWAZTTWQCPLFGQ-HDICACEKSA-N 421.566 5.090 0 40 HKAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)c(OC)c1 5163662 WHZYEDGTWVFQTK-QDSKXPNFSA-N 415.961 5.226 0 40 HKAB Clc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCO4)=NN21 5215288 LPKKWTYOOMVCDL-CVDCTZTESA-N 404.853 5.311 0 40 HKAB CCN(CC)CCn1nc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1=O 5469632 UVSNKXZVBZELCG-UHFFFAOYSA-N 423.560 5.586 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 6030159 JHDBVNJWHCMOQE-UHFFFAOYSA-N 414.461 5.319 0 40 HKAB COc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccccc1C 6207982 SXMCADLEGVBZEP-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=C(c3ccc(Cl)cc3)N2[C@@H]1c1ccccc1 6349546 IQGMCEDLAANHFI-HXUWFJFHSA-N 410.926 5.635 0 40 HKAB C[C@@H](COC(=O)C(O)(c1ccccc1)c1ccccc1)N(C1CCCC1)C1CCCC1 6487229 RQTDMICCMOXGPP-NRFANRHFSA-N 421.581 5.041 0 40 HKAB COc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1ccccc1F 6777555 PPGDNMAIPIMZES-UHFFFAOYSA-N 407.938 5.474 0 40 HKAB CC(C)CNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 6883558 APNGSYDCWVUVFJ-UHFFFAOYSA-N 417.174 6.081 0 40 HKAB COc1ccc(C2=NN(c3cccc(Cl)c3Cl)[C@H](c3ccc(F)cc3)C2)cc1 6995514 NJXHEZGJBVVWBL-NRFANRHFSA-N 415.295 6.497 0 40 HKAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccc(Cl)cc21 8241691 CGHQAUIDGCNQMP-OSPHWJPCSA-N 418.924 5.873 0 40 HKAB O=C(CSc1ccc(F)cc1)N1N=C(c2cccs2)C[C@H]1c1cccs1 8756760 XAURBBOOFXWNHF-INIZCTEOSA-N 402.541 5.419 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)c4cc(C)cc(C)c4)ccc3o2)cc1OC 8903818 BUPSXPCSGVALCT-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB CCOc1ccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)cc1 8916167 FGHMYCLATQVYIB-UHFFFAOYSA-N 417.893 5.212 0 40 HKAB CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 9260785 OUHMVPJXZMTKLN-JOCHJYFZSA-N 412.518 5.298 0 40 HKAB O=C(CSc1nc2ccccc2[nH]1)Nc1cc(Cl)ccc1C(=O)c1ccccc1 9763704 SAYNKMHQUQDVQF-UHFFFAOYSA-N 421.909 5.178 0 40 HKAB Brc1ccc(CN2CCC(Nc3ccc(Br)cc3)CC2)cc1 10060500 PMXRNURTGGITQX-UHFFFAOYSA-N 424.180 5.288 0 40 HKAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCc4ccccc4Cl)c(C)c3cc12 11867557 LQOFCWIAYZQDBI-UHFFFAOYSA-N 423.896 5.367 0 40 HKAB CC(C)Cc1ccc([C@H](C)c2nn3c([C@H]4COc5ccccc5O4)nnc3s2)cc1 12391483 DSXKPDJVSBBBQG-MGPUTAFESA-N 420.538 5.049 0 40 HKAB CCCCOCCCn1c(-c2ccc(CC)cc2)cs/c1=N\c1c(C)cccc1C 12622666 PSEBVDHGKSEASH-RQZHXJHFSA-N 422.638 6.835 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](N[C@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 12628809 PHLYOGOQMXAWIW-QFQXNSOFSA-N 424.548 5.520 0 40 HKAB COc1cccc([C@H](CNc2ncnc3sc4c(c23)CCCCC4)N2CCCC2)c1 13038934 HMBWLVXVTYOEEX-FQEVSTJZSA-N 422.598 5.218 0 40 HKAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1CCc1ccccc1 13688407 OFLALXDHIPIFFT-UHFFFAOYSA-N 412.533 5.350 0 40 HKAB C[C@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccc(-c2ccccc2)cc1 14241866 IMSXKIHUOFRRPA-AOMKIAJQSA-N 402.519 5.034 0 40 HKAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cc(C)cc2C)c1 14426561 ALLMFZFFMZWTCO-UHFFFAOYSA-N 422.550 5.079 0 40 HKAB CC(C)(C)C(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 17092917 GJVPHDJPXVSDQH-UHFFFAOYSA-N 422.337 5.661 0 40 HKAB Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)c3ccccn3)CC2)n1 19687047 HRLWQDGNIBJIIO-UHFFFAOYSA-N 405.929 5.049 0 40 HKAB CCc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 20197109 LNQOCHPDLOKWSP-UHFFFAOYSA-N 422.337 5.260 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(Cl)c1 22514275 DHKGRYQHFOUKHG-UHFFFAOYSA-N 415.902 5.093 0 40 HKAB CCCCN(C)C(=O)Cn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 27695306 FUBFYBSSMUAYBE-FQEVSTJZSA-N 405.586 5.645 0 40 HKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(C)c(Cl)c3)sc2c1 32118958 WCEMVCPEMLLXMJ-UHFFFAOYSA-N 417.987 5.728 0 40 HKAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)COc3ccccc3Cl)n2)cc1 32622972 HSWJCVWTFAKYGG-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB O=C(COc1ccc2ccccc2c1Br)N1CCC[C@@H]1c1cccs1 32721824 PJOYGRUAFCYCFB-MRXNPFEDSA-N 416.340 5.406 0 40 HKAB S=C(c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)N1CCOCC1 34794002 TYNYUKKLWQAOLH-UHFFFAOYSA-N 416.757 5.234 0 40 HKAB COc1ccc(C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 40485510 KLSFJKSQYWJURM-JOCHJYFZSA-N 423.871 5.541 0 40 HKAB CCOc1ccc(CNC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1OCC 44885614 OUNZFWJTVUCGSS-JOCHJYFZSA-N 407.510 5.111 0 40 HKAB Cc1cc2nnc(SC[C@@H](O)c3ccccc3C(F)(F)F)n2c2ccccc12 65479380 QMWOPEYIOWUJKQ-QGZVFWFLSA-N 403.429 5.035 0 40 HKAB O=c1c2ccccc2nc(SCc2cc(F)ccc2F)n1Cc1cccs1 67259528 RHTACSSOSIZLOL-UHFFFAOYSA-N 400.475 5.077 0 40 HKAB O=c1c2sccc2nc(SCc2cccc(F)c2)n1Cc1ccc(F)cc1 71327570 LMCBQXYFCUECIT-UHFFFAOYSA-N 400.475 5.077 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)Cc1cc2c(cc1Br)OCCO2 95385632 FRAKMGRVWBMMTE-GFCCVEGCSA-N 419.344 5.023 0 40 HKAB Cc1ccc(NC(=O)OC[C@@H]2C[C@H]3C=C[C@H]2C3)cc1NC(=O)OC[C@@H]1C[C@@H]2C=C[C@H]1C2 100805822 JGRJEHXNIXINLI-STHVQZNPSA-N 422.525 5.516 0 40 HKAB CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 101031914 NEMDWVAFHRGICR-KKQCZIFWSA-N 414.933 5.169 0 40 HKAB CC(=O)[C@@H]1C[C@H](O)C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CCC(=O)O)[C@]21C 118916748 GJWTZEMFQOBISH-LWLCZWIXSA-N 418.618 5.322 0 40 HKAB O=S(=O)(c1ccc(-c2ccc(F)cc2)cc1)c1ccc(-c2ccc(F)cc2)cc1 144617440 FQBRBGXGXDUSSB-UHFFFAOYSA-N 406.453 6.132 0 40 HKAB O=C(NCCSCc1ccccc1)c1cc(Cl)ccc1OCc1ccccc1 219761722 SESGIJLIPXKUCD-UHFFFAOYSA-N 411.954 5.582 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c2ccccc2O1 222824335 ZSJCOOJCDFLXSZ-XMMPIXPASA-N 420.597 5.406 0 40 HKAB CC(C)(C)c1ccc(CCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 223556386 YOENOXZIZWRKBD-UHFFFAOYSA-N 411.596 5.699 0 40 HKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 224352004 HANUMCYXKMUKDB-ZEQRLZLVSA-N 416.594 5.738 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Sc1ccccc1 224359689 VSWDWQNKECPZSC-XMMPIXPASA-N 417.574 6.513 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3cccc(OC)c3)c2)cc1 224589289 CLQNESCQZBUWJA-UHFFFAOYSA-N 421.493 5.324 0 40 HKAB COc1ccc(-c2cnc(CCC(=O)Nc3cc(Cl)cc(Cl)c3)o2)c(OC)c1 224868095 OMVOWXPYAAEGQW-UHFFFAOYSA-N 421.280 5.237 0 40 HKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 225188730 NZKFJUACZIHJHM-VWLOTQADSA-N 422.613 5.385 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)c1snnc1-c1ccc(F)cc1 225781394 LETLYGMNCNVDBO-UHFFFAOYSA-N 407.495 5.748 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1)c1ccc(C)cc1 225858248 TVPINHYGZMYJLT-NRPPHEFGSA-N 418.562 5.403 0 40 HKAB O=C1c2ccccc2CN1c1ccc2oc(-c3ccccc3Br)nc2c1 226286333 NFIIQSQRBQLQHN-UHFFFAOYSA-N 405.251 5.418 0 40 HKAB COc1ccccc1N(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 408624261 GJCKVDWIAJSETO-UHFFFAOYSA-N 422.333 5.398 0 40 HKAB COc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)cc3C)n2)cc1 408694646 LGQKFGDENCTKST-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccc(C(C)=O)cc4)o3)S2)cc1 408786192 GQEIWRKUJFDWRI-YMSBRDKKSA-N 418.518 5.311 0 40 HKAB O=C(Cc1ccccc1)Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 408975224 KREUTUQBANPPJD-UHFFFAOYSA-N 416.480 6.112 0 40 HKAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1 409181830 FXUYKVHFUUQQRU-DEDYPNTBSA-N 408.523 5.047 0 40 HKAB CC(C)c1ccccc1NC(=O)COc1ccc(C(=O)Nc2ccc(F)cc2)cc1 958148 CWFPRQBKHFULKY-UHFFFAOYSA-N 406.457 5.219 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(Nc4cccc(OC)c4)ncnc32)cc1 1447658 GOSBFWNIFZDWRC-UHFFFAOYSA-N 422.488 5.848 0 40 HKAB COc1ccc(-c2coc3cc(OCc4ccccc4Cl)ccc3c2=O)cc1OC 1448065 IDGPQQUSBQLMPQ-UHFFFAOYSA-N 422.864 5.710 0 40 HKAB O=C(Nc1ccccc1)Nc1ccc(C23C[C@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1 2027465 QHORTOYRZQOWJR-YIOSKMQZSA-N 422.572 7.120 0 40 HKAB O=c1c2c3c(sc2nc(SCc2ccccc2)n1C1CCCCC1)CCCC3 2081343 SFOBWHITSBVELB-UHFFFAOYSA-N 410.608 6.134 0 40 HKAB Cc1cc(SCc2ccc(Cl)cc2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 2194174 WNERWWFFLVBAQO-UHFFFAOYSA-N 414.361 6.612 0 40 HKAB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cccs4)c3)nc2c1 2213837 QLHCAFYACKQSCX-UHFFFAOYSA-N 407.520 5.300 0 40 HKAB aggregator O=C(NC1CCCCC1)c1cc2cc(Br)cc(Br)c2o1 3179565 CJSBACCKGPDQOK-UHFFFAOYSA-N 401.098 5.020 0 40 HKAB Cc1cc(C(=O)COc2ccc3oc4ccccc4c3c2)c(C)n1C[C@@H]1CCCO1 3355063 FIHFNVWIDDSPNZ-IBGZPJMESA-N 403.478 5.445 0 40 HKAB CCCCCCSc1nnc2c(n1)O[C@@H](c1ccco1)N(C(C)=O)c1ccccc1-2 3655189 PGMJLYBIVQGXNC-NRFANRHFSA-N 424.526 5.248 0 40 HKAB CCC(=O)N(CC[C@H](c1ccc(C)cc1)[C@H]1CCOC(C)(C)C1)Cc1ccccc1 4028095 NUYXBMLFCDKLOB-LOSJGSFVSA-N 407.598 6.113 0 40 HKAB biogenic CCCCCCc1c(C)c2ccc(OC(=O)c3ccc(OC)cc3)c(C)c2oc1=O 4043436 RFPQAWZBNZNOIH-UHFFFAOYSA-N 408.494 5.760 0 40 HKAB biogenic S=C(Nc1cccc(Cl)c1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 4088109 BSFVCHGYDSELPN-LJQANCHMSA-N 402.350 5.597 0 40 HKAB COc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(Br)cc3)C2)cc1 4199474 KAPFBUBIXSNQSQ-JOCHJYFZSA-N 407.311 5.813 0 40 HKAB CC(C)(C)c1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)cc1 4313867 DHYOKSPTXFKLDP-UHFFFAOYSA-N 407.370 5.556 0 40 HKAB Fc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2cccc(F)c2)cc1 4314289 KMXUWQPAPXSPLI-NRFANRHFSA-N 413.265 6.083 0 40 HKAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)CC24CC5CC(CC(C5)C2)C4)[C@@H]3CCC1 4623794 NWLAPOVSVKPANZ-WMHJFFNYSA-N 402.582 5.776 0 40 HKAB CCCCC(=O)Nc1cc2nc(CCCC)n(Cc3cccc(OC)c3)c2nc1C 4848521 ZLNPAVDXLNOXER-UHFFFAOYSA-N 408.546 5.268 0 40 HKAB CCc1ccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)nc3n2CCO)cc1 5051074 TZAXSHCXXVEWNL-UHFFFAOYSA-N 407.517 5.692 0 40 HKAB O=C(COc1ccc(Br)cc1)N(Cc1ccccc1)Cc1ccccc1 5192500 QMMROPPYSFYFKX-UHFFFAOYSA-N 410.311 5.057 0 40 HKAB O=C(O)CC1=Cc2c(ccc3ccccc23)O[C@@]12C=Cc1c(ccc3ccccc13)O2 5604959 KTZOLZOXAWWSBH-MHZLTWQESA-N 406.437 6.046 0 40 HKAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1Br 6477378 MZNWOAYBYJOCNX-SNVBAGLBSA-N 403.103 5.470 0 40 HKAB CCOc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(C)cc1 6961260 CFQBRRRLYLJRAN-DEOSSOPVSA-N 404.535 5.670 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1 7073009 VGNOLUJTRFGZKA-GOSISDBHSA-N 402.494 5.470 0 40 HKAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)c1nnc(-c2ccc(F)cc2)o1 7221481 KVPJPMCLHABJPL-NSHDSACASA-N 413.503 5.384 0 40 HKAB CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2C)CC1=O 8587094 UNMUXLYOSUZLMT-OAQYLSRUSA-N 419.569 5.320 0 40 HKAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(-c3ccccc3)cc1)CSC2 9347258 GNGMZGUTUJBWRJ-UHFFFAOYSA-N 411.530 5.847 0 40 HKAB Cc1sc2ncnc(Sc3ccccc3C(=O)N[C@H](C)c3ccccn3)c2c1C 9468694 WZLKUTPRQYTAAB-CQSZACIVSA-N 420.563 5.345 0 40 HKAB CCc1ccc2c(CC(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)coc2c1 9633646 IIVHXGRDLILCHG-UHFFFAOYSA-N 414.509 5.161 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 10513130 HFUZWEQCZKDYCT-UHFFFAOYSA-N 400.526 5.502 0 40 HKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCCCC2)cc1 11329562 JUHNAOSWHAMVRX-UHFFFAOYSA-N 409.917 5.557 0 40 HKAB CCCSc1ncc(Br)c(C(=O)Nc2ccccc2C(F)(F)F)n1 11916166 QOKBQUVJVLXMAT-UHFFFAOYSA-N 420.254 5.012 0 40 HKAB Clc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(N4CCCC4)cc3)c2c1 12374230 KLRLGKUIUUZWKC-SLEBQGDGSA-N 400.909 6.586 0 40 HKAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(Oc2ccccc2)c1 12616095 TXRCPGRRJFSYBW-UHFFFAOYSA-N 414.505 5.035 0 40 HKAB COc1cc(OC)c(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)cc1Cl 12887558 DNPVTQRFJNFFRH-UHFFFAOYSA-N 416.909 5.059 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 13320504 JSIXTYYROUAERE-UHFFFAOYSA-N 418.246 5.366 0 40 HKAB Cc1ccc(CNC(=O)C2CCC(CNc3nc(=S)[nH]c4ccccc34)CC2)cc1 13496841 YPFFKGCYPBUTRW-UHFFFAOYSA-N 420.582 5.136 0 40 HKAB Fc1ccccc1[C@H]1N=C2SC(c3ccccc3)=NN2C(=S)N1c1ccccc1 16478064 PNUMYWSNYRQFDS-IBGZPJMESA-N 418.522 5.396 0 40 HKAB Cc1ccc2oc(-c3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)nc2c1 17091362 GNDDSDQMBMMUJV-UHFFFAOYSA-N 418.321 5.751 0 40 HKAB O=C(NC(=S)Nc1ccccc1OC(F)F)c1ccc(-c2ccc(Cl)cc2)o1 17093291 CBUAJTTUPFBVQN-UHFFFAOYSA-N 422.840 5.328 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 17121279 ANTYCCGCUBWEQI-UHFFFAOYSA-N 420.321 5.192 0 40 HKAB COc1ccc(Cl)cc1-c1nnc(SCc2cccc(Br)c2)o1 19929154 UILIIBKBHATGGY-UHFFFAOYSA-N 411.708 5.453 0 40 HKAB O=C(Cc1cccs1)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 29957204 GXTZNDRJSSIEDK-IBGZPJMESA-N 415.440 5.092 0 40 HKAB Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1ccccc1F 32609879 JUAZUFJDUDTHDK-UHFFFAOYSA-N 408.260 5.235 0 40 HKAB O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccc(-c2ccccc2)cc1 32744888 PVPJLZORNPIRDJ-UHFFFAOYSA-N 422.484 5.623 0 40 HKAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)[C@@H](Sc1ccccc1)c1ccccc1 32827909 GWANMMJPMKLHNE-NRFANRHFSA-N 417.559 6.007 0 40 HKAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccccc1CN(C)C1CCCCC1 32894176 FVNCDVAYXMFRNV-UHFFFAOYSA-N 415.581 5.797 0 40 HKAB Cc1ccccc1-c1nc(-c2cccc(OCC(=O)Nc3ccccc3Cl)c2)no1 33327279 WXLBDQZRVWGTSI-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB O=C(CNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1c[nH]c2ccccc12 34829354 RVBIRBPIRKNEPY-UHFFFAOYSA-N 416.524 5.932 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc(Br)c(C)c2)cc1 38771831 AQMOBLQMNMUETE-FQEVSTJZSA-N 420.347 5.049 0 40 HKAB COc1ccc(Nc2cc(C(=O)N3CCCCC3)nc3ccc(C)cc23)cc1Cl 44168075 KGAPXVOZDDOVLV-UHFFFAOYSA-N 409.917 5.575 0 40 HKAB CC[C@@H](Oc1ccccc1C)C(=O)NCCSCc1ccc(Cl)cc1Cl 44905126 FLKIHKIICJIJCW-GOSISDBHSA-N 412.382 5.509 0 40 HKAB O=C(Nc1nc2cc(F)c(F)cc2s1)c1ccc(C2SCCCS2)cc1 58779333 NPGZIKPLDWQCFT-UHFFFAOYSA-N 408.520 5.696 0 40 HKAB CSc1cccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc23)c1 64658280 LJJCZYJMJHSFDQ-UHFFFAOYSA-N 413.543 5.028 0 40 HKAB CCOc1cc(-c2ccc(OC)cc2)nc2ccc(NC(=O)c3ccc(F)cc3)cc12 65033901 KPFYSKKQEDXQSZ-UHFFFAOYSA-N 416.452 5.701 0 40 HKAB C[C@H](Oc1ccc(F)cc1)c1nnc(C2(c3ccccc3Cl)CCOCC2)o1 71889854 PURAEXMQTZQIOQ-AWEZNQCLSA-N 402.853 5.099 0 40 HKAB COc1ccc(NC(C)=O)cc1NC(=O)CCCc1cn(C(C)C)c2ccccc12 72402957 DSXKECACXGUMAJ-UHFFFAOYSA-N 407.514 5.151 0 40 HKAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 84247938 PUYOJFCCKXPKIX-UHFFFAOYSA-N 410.399 5.284 0 40 HKAB CC(=O)Nc1ccc(N2CC(O)=C(c3nc(-c4ccc(Cl)cc4)cs3)C2=N)cc1 101503883 NZTONTBTEMXVCG-UHFFFAOYSA-N 424.913 5.188 0 40 HKAB CCc1nnc(NC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)CC3)s1 103997444 WCDJHAPGKBKRPJ-PEZBUJJGSA-N 412.518 5.388 0 40 HKAB COc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 107042715 XXIZXUROXCKXOE-UHFFFAOYSA-N 418.320 6.202 0 40 HKAB CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 107724842 MDOLLYKNSKPFJZ-FQEVSTJZSA-N 408.571 5.026 0 40 HKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(/C=C\c5ccccc5)=CC[C@H]4[C@@H]3CC[C@@H]2C1 118915015 FLDVEKQSXXBPDV-CSVYZNSESA-N 418.621 7.211 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](CO)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118930476 TYTUMJNHSUQBGY-BGVVYDCJSA-N 418.706 6.687 0 40 HKAB CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 199412082 GQWMAUMHCMQSQW-HNNXBMFYSA-N 406.448 5.822 0 40 HKAB Clc1nc(-c2ccc(-c3ccccc3)cc2)cc(-c2ccc(-c3ccccc3)cc2)n1 222899829 WOVPECVORHUBQG-UHFFFAOYSA-N 418.927 7.798 0 40 HKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(CSc2ccccc2)cc1 223497012 VLMGOFCCTCPBSI-IBGZPJMESA-N 417.574 6.264 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 224199976 MGSXXCLDKIUBAU-XZOQPEGZSA-N 404.583 5.566 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccccc1Cl 224476488 QDUKJZJXTYHMID-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COCc3ccccc3)c2)cc1 224748956 UEJMPEVPMZECLG-UHFFFAOYSA-N 405.494 5.453 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(Cl)c3C)o2)c1 224899811 RXYYRKOZLYPKMB-UHFFFAOYSA-N 418.880 6.231 0 40 HKAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c(I)c1 225024897 VBRMFUORVHKKOU-AWEZNQCLSA-N 421.322 5.388 0 40 HKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 225101064 YNBNZAYSHWSUKT-VWLOTQADSA-N 420.597 5.184 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 225338347 NUJDRTQOSRTFJT-UHFFFAOYSA-N 419.937 6.015 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1 225510744 YNYWPYXEBDMJKH-NRFANRHFSA-N 424.953 5.511 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225581128 PCLZOVMZKXBSLV-UHFFFAOYSA-N 415.723 5.637 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 225694022 XAVZVVXSQWMPPZ-LJQANCHMSA-N 408.542 5.151 0 40 HKAB CCCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OCCC)cc1C(=O)OCC 225840716 BZDUIRBJEAHVKV-HSZRJFAPSA-N 407.551 5.212 0 40 HKAB COc1cc(N)ccc1NC(=O)c1ccc(C(c2ccccc2)c2ccccc2)cc1 227146467 PKEZIKWAMGJJDM-UHFFFAOYSA-N 408.501 5.710 0 40 HKAB CC(C)c1ccc(OCC(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 408627121 KKSKHCJWWQOTRF-UHFFFAOYSA-N 400.478 5.313 0 40 HKAB COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c(C)c1 408801830 CDILKEJTTJTOPI-CWCOAMRFSA-N 421.586 6.058 0 40 HKAB Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)cc1C 408919482 YNHRLJIJEYXMNJ-VUUXHMSQSA-N 413.904 5.051 0 40 HKAB COc1ccc(Br)c2c1-c1nc(NC(=O)c3ccc(C)cc3)sc1C2 409052211 IRPRLPFHURXWHH-UHFFFAOYSA-N 415.312 5.046 0 40 HKAB Cc1ccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)c(C)c1 409113152 IDMOGPOXCOLVHH-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB Cc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccc(Cl)cc2)cc1C 409114031 ICEMOQMCPWLFGE-UHFFFAOYSA-N 423.944 6.636 0 40 HKAB Cc1cccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1 409120700 RZMAKLFDJCPHFK-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB COc1ccc([C@H]2CN(Cc3ccccc3)[C@@H]3CCN(Cc4cccs4)C[C@H]23)cc1 1848354088 WGLXXHLDNLCDIN-TWJOJJKGSA-N 418.606 5.247 0 40 HKAB Cc1ccc2c(c1)N(C(=O)COc1ccccc1)C(C)(C)c1ssc(=S)c1-2 851571 NOVWGWCYGHITBG-UHFFFAOYSA-N 413.589 6.175 0 40 HKAB Cc1sc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)nc1-c1ccccc1 997606 ASASBCLACLJUAE-NSHDSACASA-N 407.322 5.831 0 40 HKAB COc1cc(Cl)c(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 1011840 PRKFLXLRPKQEHP-PXNMLYILSA-N 410.278 5.252 0 40 HKAB Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3ccccc3)cc(-c3ccco3)c12 1296138 WEPIKUCVYNFQOY-UHFFFAOYSA-N 414.461 6.176 0 40 HKAB Cc1ccc2cc(CN(C(=O)Nc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1C 1378337 JDXXXJZVGJSURS-UHFFFAOYSA-N 403.526 5.512 0 40 HKAB Cc1ccc(N2C(=O)c3cc(C)nc(SCc4ccc(F)cc4)c3C2=O)c(C)c1 1405638 KQVJQLLJAZSERL-UHFFFAOYSA-N 406.482 5.239 0 40 HKAB CCc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1 1413929 AGOSZXONGJZBLK-UHFFFAOYSA-N 400.478 5.692 0 40 HKAB Clc1ccc(-c2cn3c([n+]2Cc2ccc(Cl)cc2Cl)CCCCC3)cc1 1793832 BTCWHZFJGIVZQX-UHFFFAOYSA-N 406.764 6.178 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 1849206 CLVIVFAOQCBHJP-GOSISDBHSA-N 402.563 5.845 0 40 HKAB CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2 2060676 AZWIIQRAMHCOIU-UHFFFAOYSA-N 416.590 5.633 0 40 HKAB biogenic CCCCOc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 2074814 KRPKCPUXRIYGQZ-UHFFFAOYSA-N 418.518 6.100 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(Nc3nc(Cl)nc(Cl)c3Cl)c2)cc1 2153175 WFGBWWAKUBOYDE-UHFFFAOYSA-N 407.688 5.741 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(NC(=O)C(F)(F)F)c1 2187681 HMLIHRMUTAVKCZ-UHFFFAOYSA-N 410.701 5.112 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1c(-c2ccccc2Cl)noc1C 2641010 CKVQYAVUVXMTEV-UHFFFAOYSA-N 408.841 5.133 0 40 HKAB COc1cc2c(cc1NC(=O)CSc1nc(C)c(C)c(C)n1)oc1ccccc12 2662229 AXKQTNGRHADQBJ-UHFFFAOYSA-N 407.495 5.041 0 40 HKAB Cc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccs2)N2N=CNC2=N3)cc1 2707284 JVNOFTQUGNLNEH-PKTZIBPZSA-N 412.518 5.169 0 40 HKAB CCOc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 2714067 URWKYFVYEMZBAI-UHFFFAOYSA-N 406.489 6.230 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N[C@@H]4C[C@H](C)CC(C)(C)C4)ncnc32)cc1 2714364 BVHUSVVAAOTSML-RBBKRZOGSA-N 424.592 7.023 0 40 HKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1cc(C)oc1C 2769181 ZKRXJYWJIHXJRJ-UHFFFAOYSA-N 403.887 5.707 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)c2cccc(COc3ccc4ccccc4c3)c2)cc1 2775953 VCSDAVAYEBLZEN-HXUWFJFHSA-N 409.529 7.185 0 40 HKAB O=C(Nc1cccc(Cl)c1)Nc1nc(-c2ccc(Br)s2)cs1 3167441 WOSMSNUMRAWFBQ-UHFFFAOYSA-N 414.737 5.932 0 40 HKAB CSc1nc2ccc3nc(NC(=O)c4ccc(C(C)(C)C)cc4)sc3c2s1 4134750 NVSOIGRYSUVPGU-UHFFFAOYSA-N 413.593 6.178 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N2CCC(CCc3cccc(F)c3)CC2)cc1 4709728 RBLPJLVKKHGKEF-UHFFFAOYSA-N 414.546 5.044 0 40 HKAB O=C(Nc1nc(SCc2ccc(F)cc2)ns1)OCc1ccc(Cl)cc1 4744092 IBTATCUJMXVMAA-UHFFFAOYSA-N 409.895 5.372 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc(F)cc2)cc1 5164205 ZNMDYRBJLIGPMV-SZIWGIQXSA-N 421.556 5.857 0 40 HKAB biogenic,in-vitro CCCOc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c1 6415449 GYNQPJJBJGQIAG-HNNXBMFYSA-N 414.571 5.039 0 40 HKAB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(Cl)c(Cl)c1 6615736 PYBUEVFOCIGZDG-UHFFFAOYSA-N 408.354 5.111 0 40 HKAB Cc1ccc(-n2c(SCc3nnc(-c4cccs4)o3)nc3ccccc32)cc1 6650845 DNQVFFSWTJTLFM-UHFFFAOYSA-N 404.520 5.738 0 40 HKAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1C 6707045 YRQDDECQSBJHQX-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1cccc(C)c1C 6924586 CSQNJVWHCOFNKP-UHFFFAOYSA-N 402.450 5.138 0 40 HKAB COc1ccc(OC)c(-c2csc(N(Cc3ccccc3)C(=O)c3ccco3)n2)c1 6924677 MDPAGMGAQRKRFC-UHFFFAOYSA-N 420.490 5.267 0 40 HKAB Cn1nc(-c2ccccc2)c(CSc2c(F)c(F)c(F)c(F)c2F)c1Cl 6925445 JSMIZBPNJAIZGL-UHFFFAOYSA-N 404.791 5.728 0 40 HKAB CC1CCN(c2nc(Nc3cccc(Cl)c3)c3cnn(-c4ccccc4)c3n2)CC1 7452141 FLWWRVHUJCCETG-UHFFFAOYSA-N 418.932 5.449 0 40 HKAB COc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(C)cc1 8550155 PKAQCBQAMBZMAX-DZKAJJGSSA-N 419.609 6.277 0 40 HKAB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)c1ccccc1 9570995 AHMJMMVYRFBRGP-UHFFFAOYSA-N 419.937 5.487 0 40 HKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2cccc(F)c2)cc1 9679142 JYHVEXODHLWPIS-QHCPKHFHSA-N 417.871 5.927 0 40 HKAB COc1ccccc1C1=N/C(=C/c2cccc(OCc3ccccc3Cl)c2)C(=O)O1 9763055 IBVOUEFDXUBSOT-KGENOOAVSA-N 419.864 5.272 0 40 HKAB Cc1ccc(C)c(CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)c1 10700437 BJAPMKOYRZXNQK-UHFFFAOYSA-N 412.316 6.022 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1F 11497591 KFPGCZKBUNWESP-UHFFFAOYSA-N 404.441 5.723 0 40 HKAB O=C(C[C@@H](Sc1ccc(Cl)cc1Cl)c1ccccc1)c1ccc(Cl)cc1 12340679 ZSUZICJTDMJJID-OAQYLSRUSA-N 421.776 7.753 0 40 HKAB FC(F)(F)c1nc(SCc2nc(-c3cccc(Cl)c3)no2)c2ccccc2n1 12569553 SCIUFJXJBYTZSV-UHFFFAOYSA-N 422.819 5.644 0 40 HKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cccc(Cl)c1 13946197 CLRBFUPRZAYVFP-UHFFFAOYSA-N 404.901 5.758 0 40 HKAB Cc1nc(-c2ccc(NC(=O)c3ccccc3SCc3cccs3)cc2)cs1 14083677 SKNZPGXEUACISV-UHFFFAOYSA-N 422.600 6.725 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1 14411001 JWYNLKPDEFMKAK-UHFFFAOYSA-N 422.764 7.191 0 40 HKAB CCc1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 15833081 ZTBJMVJBOVHDSR-UHFFFAOYSA-N 414.505 5.956 0 40 HKAB Cc1nn(-c2ccc(Br)cc2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 15921217 NCESIISLKXULSL-UHFFFAOYSA-N 422.204 5.770 0 40 HKAB CCOc1cc(CNCc2cccs2)cc(Cl)c1OCc1ccc(Cl)cc1 16688476 SLYYNYXIAWZIBY-UHFFFAOYSA-N 422.377 6.322 0 40 HKAB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccco2)cc1 17091323 UOQXNUXOAZTNQV-UHFFFAOYSA-N 418.276 5.610 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc(Cl)ccc1OC 21580425 JTVZLMIVVVBUDU-UHFFFAOYSA-N 407.857 5.153 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1Cl 22131490 KSFCEHXLUFSQEP-UHFFFAOYSA-N 418.305 5.631 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccco1)c1ccc(Cl)cc1 27795477 NVMSCHCUFADRNS-UHFFFAOYSA-N 410.684 5.852 0 40 HKAB Cc1nc(Sc2nnc(-c3ccncc3)n2C)c2c(-c3cccs3)csc2n1 32856079 GHDWAPGOWCTFGR-UHFFFAOYSA-N 422.564 5.070 0 40 HKAB CC1CCN(C(=S)c2ccc(OCc3ccc(F)cc3)c(Br)c2)CC1 33717274 JZYOTZFCACTRGA-UHFFFAOYSA-N 422.363 5.575 0 40 HKAB CCOc1cc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)O)ccc1OC 35087825 KYPSWDMEMITTDB-SUCHYCSPSA-N 403.478 5.463 0 40 HKAB Cn1c(-c2nc(C(=O)Nc3nc(-c4cccnc4)cs3)cs2)cc2ccccc21 35598444 NDJXHWMITKOHJE-UHFFFAOYSA-N 417.519 5.073 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@@]21C 36043328 AYXDXVGGAIDTQI-RJGGPJCOSA-N 402.663 6.792 0 40 HKAB biogenic,in-vitro CCOC(=O)c1cc2c3ccccc3n(C)c2cc1N1CCC[C@H](C(F)(F)F)C1 36624724 JYFIYSZUZHELHJ-AWEZNQCLSA-N 404.432 5.287 0 40 HKAB Cc1nc(CSCCC(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cs1 40069749 PFDNKEDZBKMCKG-KRWDZBQOSA-N 417.625 5.438 0 40 HKAB O=C(CCc1nc(Cc2ccccc2)no1)Nc1cc(Cl)c(Cl)cc1Cl 40131513 JCDKWVCGJCTHQN-UHFFFAOYSA-N 410.688 5.192 0 40 HKAB CCCCOc1ccc(-c2cc3c(SCc4ccccc4F)nccn3n2)cc1 45925383 YUGMKVBKUPGLDW-UHFFFAOYSA-N 407.514 6.007 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Oc3ncccn3)cc2C)cc1OC 48356111 GJUVQGVHFUUFBF-UHFFFAOYSA-N 407.470 5.017 0 40 HKAB O=C(Cc1coc(-c2ccccc2)n1)Nc1nc2ccccc2n1C1CCCCC1 58163026 SFPIMZHWZOODNF-UHFFFAOYSA-N 400.482 5.378 0 40 HKAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccccc1OCc1ccc(Cl)cc1 59195154 DJKSHHXYIDSJJX-MOSHPQCFSA-N 424.283 5.917 0 40 HKAB COc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1cccc(C)n1 67296849 JYPRURGPJIKTJD-RWEWTDSWSA-N 419.868 5.283 0 40 HKAB CC1=C[C@@H](CNC(=O)C2CCCCC2)[C@H](C(C)C)C[C@H]1Cc1nc2c(C)cccc2[nH]1 72320964 WITRYHSZUCBDTN-VABKMULXSA-N 421.629 5.965 0 40 HKAB biogenic,in-vitro O=C(N[C@H](SCc1ccccc1)C(=O)c1ccc(Cl)cc1)c1cccs1 96346493 QMKPRMQGXDXAJQ-HXUWFJFHSA-N 401.940 5.274 0 40 HKAB Cc1nn(-c2ccccc2)c(O)c1C(c1ccccc1)(c1ccccc1)c1ccccc1 100989652 OAUKFGBFQARAMC-UHFFFAOYSA-N 416.524 6.269 0 40 HKAB O=C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)Nc1nc2ccccc2s1 105141812 MAJDJXQDKYPECP-IJKBLAIYSA-N 405.361 5.359 0 40 HKAB CCCCn1c(-c2cc3ccccc3o2)cs/c1=N/c1ccc(OC(F)F)cc1 105756528 PLRAVDHVORBYRR-YYDJUVGSSA-N 414.477 6.597 0 40 HKAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1OC(F)F 106698481 ISCOCIUFOBGNMZ-YVLHZVERSA-N 423.412 5.062 0 40 HKAB COc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 107040593 FGWUDCSYNUOMEL-UHFFFAOYSA-N 418.320 6.202 0 40 HKAB Fc1ccc(NCc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1Cl 107042867 WOLYIYCIWUUXHS-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl 223436787 BWRYQYGKODBRCL-UHFFFAOYSA-N 416.273 5.535 0 40 HKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1Cl 225557867 BOSSYXJDWJQJSO-UHFFFAOYSA-N 412.744 6.496 0 40 HKAB Brc1cc(Br)c2[nH]c(-c3cccc4ccccc34)nc2c1 226342925 BBBXUKBQCRAMRM-UHFFFAOYSA-N 402.089 5.908 0 40 HKAB Cc1cccnc1Nc1cccc([C@H]2CCCN(C(=O)c3nccc4ccccc34)C2)n1 257321622 WCKNQBNZICUACQ-FQEVSTJZSA-N 423.520 5.097 0 40 HKAB Cc1ccc(CSCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 408921700 VGAZKJCXEPUIJM-UHFFFAOYSA-N 414.423 5.585 0 40 HKAB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2ccc(Cl)cc2)n1 409384358 AKDHBYRCVGBNEO-UHFFFAOYSA-N 404.322 5.490 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)C[S@@](=O)[C@@H](c1ccccc1)c1ccc(F)cc1 576055758 FSDNFGYAPRTWEF-RBISFHTESA-N 415.917 5.264 0 40 HKAB CC(C)c1ccc(C(=O)c2cc3cc4c(cc3oc2=O)N(C)C(C)(C)C[C@H]4C)cc1 618256375 IGURFAUQTPKALW-MRXNPFEDSA-N 403.522 5.869 0 40 HKAB Cc1cccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)c2ccc(C)s2)c1 2056225274 HTSMVOSPQUXXBD-UHFFFAOYSA-N 403.547 5.741 0 40 HKAB CC1CCN(C(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)CC1 651809 ZZTHXCMGDSKMIQ-UHFFFAOYSA-N 409.327 5.536 0 40 HKAB COc1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccccc23)c1 905757 SCPJROGGGJDSJG-UHFFFAOYSA-N 401.491 5.036 0 40 HKAB CCCC(=O)Oc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1 946456 ZQGOWTYJSUUCAZ-UHFFFAOYSA-N 403.228 5.053 0 40 HKAB Cc1cc2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)n2c2ccccc12 1221463 AKTGAQDIGOQBPV-UHFFFAOYSA-N 424.529 5.648 0 40 HKAB Cc1sc(NC(=O)C2CCCCC2)nc1-c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 1366257 APGYYRMDRCUFAE-AWEZNQCLSA-N 423.582 5.325 0 40 HKAB CCc1ccc2nc(-c3ccc(-c4ccc(Cl)cc4Cl)o3)cc(C(=O)O)c2c1 1790047 CCJXXAAEHYPLHQ-UHFFFAOYSA-N 412.272 6.729 0 40 HKAB C[C@@H](OC(=O)c1ccc(-c2ccccc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 1984731 VPZBURHQYPMYFJ-CQSZACIVSA-N 414.288 5.844 0 40 HKAB CC(C)(C)c1ccc(-c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)cc1 2188980 SXPXSAVFRSNSFX-UHFFFAOYSA-N 403.529 7.028 0 40 HKAB C[C@@H]1CCc2c(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)csc2C1 2222356 YYVWFNZPHBVEAK-GFCCVEGCSA-N 402.972 5.826 0 40 HKAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(C(C)(C)C)cc1 2451928 AMFKXUYAZSEHPS-UHFFFAOYSA-N 414.962 5.164 0 40 HKAB COC(=O)[C@H](C)OC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 2617353 FWVXQWDIUWQEHL-LBPRGKRZSA-N 404.871 5.097 0 40 HKAB CC(C)Oc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3)c3ccccc3n2)cc1 2754312 TUOCZUQNXOJTHQ-UHFFFAOYSA-N 400.453 6.080 0 40 HKAB O=C(Nc1ccc(F)c(F)c1F)c1cc(-c2ccccc2Cl)nc2ccccc12 3287567 NNUSGWBVXWNKGW-UHFFFAOYSA-N 412.798 6.225 0 40 HKAB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)c1ccccc1 3288023 FMKRJXIXHURWGC-UHFFFAOYSA-N 408.573 5.959 0 40 HKAB COc1cccc(NC(=O)[C@@H](Sc2ncnc3ccccc23)c2ccccc2)c1 3297513 HSXOTNPHIGQLOJ-NRFANRHFSA-N 401.491 5.111 0 40 HKAB O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccc(F)cc1 3318733 MRVBJJGYMGYTGC-UHFFFAOYSA-N 419.839 5.734 0 40 HKAB Cc1noc(C)c1COc1ccccc1C(=O)NC(c1ccccc1)c1ccccc1 3477319 FCGZXPWXSMCTSW-UHFFFAOYSA-N 412.489 5.390 0 40 HKAB CCOc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3ccccc3)c3ccc(C)cc32)cc1 3770945 HBIZCOIGTAQXEE-NDEPHWFRSA-N 413.561 6.529 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1Br 4078953 GITYWEHRGQAKBR-UHFFFAOYSA-N 410.267 6.000 0 40 HKAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1c(F)cccc1Cl 4088747 SMAHEIGNBJEKNC-UHFFFAOYSA-N 408.285 5.317 0 40 HKAB Cc1cccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)c1 4122840 DFIQUBBAEDJPMI-UHFFFAOYSA-N 403.532 5.399 0 40 HKAB CCc1cccc2c(SCC(=O)Nc3ccccc3)nc(-c3ccc(F)cc3)nc12 4130133 JAHGKUPXZRCBRE-UHFFFAOYSA-N 417.509 5.729 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(Oc2ccccc2)c1 4134696 LSUFXMYADKJBDJ-UHFFFAOYSA-N 405.457 6.275 0 40 HKAB Fc1ccc(N2N=C(c3cccs3)C[C@H]2c2ccc(Cl)cc2Cl)c(F)c1 4322696 VRDKNQCXSZGDNX-SFHVURJKSA-N 409.288 6.689 0 40 HKAB O=C(c1cccs1)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 4512607 XXTZCJAEKNUGGH-UHFFFAOYSA-N 401.919 5.427 0 40 HKAB COc1ccc(-c2csc(N3CCN(c4cc(C)nc5ccccc45)CC3)n2)cc1 4602468 KOPSXLCFXMEYHM-UHFFFAOYSA-N 416.550 5.002 0 40 HKAB Cc1ccc(OCc2nn(CN3CCCCC3)c(=S)n2-c2ccccc2)cc1C 4624120 WVGQHEHVGFSAOU-UHFFFAOYSA-N 408.571 5.043 0 40 HKAB CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C)cc2)cc1 4897822 JZMOMDRZFSEOSM-ILBGXUMGSA-N 418.924 6.289 0 40 HKAB CC(=O)Nc1ccc(NC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 5694663 RLPDYHWNQRLFRK-UHFFFAOYSA-N 403.507 5.277 0 40 HKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2c(C)noc2C)c(C)c1 5935548 AGFQMHVPWBYTDR-UHFFFAOYSA-N 404.539 5.372 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1C 6215873 AWOVKYSSHUIJOF-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)N1CCCc2ccccc21 6344735 CGOKMKBTIFWWGJ-UHFFFAOYSA-N 411.530 5.368 0 40 HKAB CCN(CC)c1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 6629988 VEBNTRFJEKYDCM-CPNJWEJPSA-N 400.931 5.423 0 40 HKAB Cc1cc(NC(=O)c2ccc(Br)o2)cc(-c2nc3ccccc3o2)c1O 8591012 BOMXTPNZSPDNQN-UHFFFAOYSA-N 413.227 5.117 0 40 HKAB Cc1ccccc1CN(C)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 8752138 AORVDVURZOBNBG-UHFFFAOYSA-N 424.570 5.102 0 40 HKAB Cc1ccc(CSCCNC(=O)c2ccc(C3SCCCS3)cc2)cc1 8924893 VNXWHICACRELGX-UHFFFAOYSA-N 403.638 5.527 0 40 HKAB Cc1ccc2oc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)c(C)c2c1 9250763 SJQQBVQVOMDFHL-OAQYLSRUSA-N 410.945 5.660 0 40 HKAB Cc1cccc(N(Cc2cc3ccc(C)cc3nc2O)C(=O)c2cccc(Cl)c2)c1 9431115 BLEZWKHIWOJWJN-UHFFFAOYSA-N 416.908 6.058 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccccc1Cl 9497144 FEKNPAFRWCXFGH-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1SC[C@H]1CCCO1 9751699 UOIZSRGANZCCMI-JOCHJYFZSA-N 419.546 5.789 0 40 HKAB Cc1ccc(OCC(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c(C)c1 10120445 PIMHHIWKOMXEPK-UHFFFAOYSA-N 414.505 5.424 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O 12924696 BUARTSUDSUTURR-UHFFFAOYSA-N 423.563 5.257 0 40 HKAB C[C@H](SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(F)cc1F 12951828 BBGDZURQRTYFBD-NSHDSACASA-N 408.857 5.534 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)cc1C 14069923 PJQYTQKOPFJART-UHFFFAOYSA-N 421.353 5.137 0 40 HKAB Cc1cccc(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)c1C 14135895 ZWHBYPAVHHDTEF-UHFFFAOYSA-N 412.489 5.159 0 40 HKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)Cc1cccs1 14242346 DSZZCMCWMSHOTA-UHFFFAOYSA-N 421.953 5.455 0 40 HKAB CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2F)C1=O 15009299 IUTISFYJQRJALE-LPYMAVHISA-N 421.493 6.003 0 40 HKAB O=C(Cc1c(Cl)cccc1Cl)N1CCC[C@H](c2nc3ccccc3s2)C1 15525508 QHNZNOVOZXBXQV-ZDUSSCGKSA-N 405.350 5.552 0 40 HKAB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cc(Cl)ccc1Cl 16431216 LEMMCUCKROOWHP-UHFFFAOYSA-N 416.742 5.383 0 40 HKAB COc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2ccccc2c1Br 17093760 IZTGTBLOAWAXAX-UHFFFAOYSA-N 424.216 5.882 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Cc2ccccc2)cc1 17189685 OWKNSJVHJWKTRZ-UHFFFAOYSA-N 420.537 6.806 0 40 HKAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc4ccccc34)o2)cc1C 20196856 BKESNTVZXOWQNG-UHFFFAOYSA-N 403.507 5.161 0 40 HKAB CCOC(=O)C1=C(C)Nc2c(-c3ccccc3)c(C)nn2[C@H]1c1ccc(Cl)cc1 20674234 CFALJBSJGMLJDD-NRFANRHFSA-N 407.901 5.364 0 40 HKAB Cc1noc(-c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)n1 22463930 GQYVSVDFFZLVRW-UHFFFAOYSA-N 414.248 5.864 0 40 HKAB Clc1ccccc1-c1nnc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)o1 23967804 MRNCQJYHBFGSAK-CQSZACIVSA-N 410.930 5.379 0 40 HKAB Cc1ccc(NC(=O)[C@@]2(c3ccc(C)cc3)Sc3cc(C)ccc3NC2=O)cc1 27526214 ZCTXNKOZHZXMDJ-XMMPIXPASA-N 402.519 5.190 0 40 HKAB CCc1ccc(CN(C(=O)c2oc3ccc(Cl)cc3c2C)c2ccccn2)cc1 27663602 DIYGLTSNJYPCAU-UHFFFAOYSA-N 404.897 6.199 0 40 HKAB Cc1cccc(CSc2nnc(NC(=O)c3cc(-c4ccccc4)on3)s2)c1 27989763 QRHWBGCNIRBNDO-UHFFFAOYSA-N 408.508 5.046 0 40 HKAB CCOc1ccccc1Nc1nnc(S[C@H](C)c2nc(-c3ccco3)no2)s1 29738592 PBXOXTRLTYYYDF-LLVKDONJSA-N 415.500 5.177 0 40 HKAB Cc1ccccc1OCc1nc2ccccc2n1C[C@@H](O)COc1ccccc1Cl 31903630 YIWGYSIWJWDBDE-GOSISDBHSA-N 422.912 5.017 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1sc2ncn(C3CCCC3)c(=O)c2c1C 35672168 PPBYWFNDOBPXHL-UHFFFAOYSA-N 401.919 5.096 0 40 HKAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cc2occc2n1Cc1ccc(Cl)cc1 36353885 WLLJRVLFSCCITP-UHFFFAOYSA-N 410.905 5.583 0 40 HKAB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CN3CCC[C@H](C)C3)cc1)CC(C)(C)O2 44855278 QQZHQQHBXOESPU-CVDCTZTESA-N 406.570 5.259 0 40 HKAB CC(=O)N(c1ccc(F)cc1)c1nc(CN2CCCc3cc(C)cc(F)c32)cs1 48311555 YROSHMVGDFHSLV-UHFFFAOYSA-N 413.493 5.367 0 40 HKAB Cc1ccc(OCCCCNC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1 58052173 CNUNQFGYBBGGIS-UHFFFAOYSA-N 416.880 5.340 0 40 HKAB CCCCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc3c(c2)OCO3)cc1 59471543 JJADJOJLYZZBSA-XMMPIXPASA-N 400.478 5.529 0 40 HKAB C[C@@H]1CCC[C@@H](C)N1C(=O)CNc1ccccc1Oc1ncc(Cl)cc1Cl 71983200 ONHBXOGOLWGJME-ZIAGYGMSSA-N 408.329 5.382 0 40 HKAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 72214968 IUMZVCNXUXNRNG-JOCHJYFZSA-N 409.574 5.960 0 40 HKAB C[C@@H](CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1)c1ccccc1 72308039 KPCIUGKIUJEIEU-KRWDZBQOSA-N 421.928 5.794 0 40 HKAB CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2C)cc1Cl 72332644 YBEJGCJYDDAMPR-RCZVLFRGSA-N 418.924 6.289 0 40 HKAB O=C(CCc1ccc(Cl)cc1)N1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 72380386 KRGWFDNULLIYIM-GOSISDBHSA-N 411.908 5.208 0 40 HKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)Cc1ccc(O)cc1 95356897 VJEHXHNGBIOFSM-UHFFFAOYSA-N 406.429 5.115 0 40 HKAB Fc1ccc(NCc2cc(Br)ccc2OCc2ccccc2F)cc1 107027987 CKOOGWQQCZEAIH-UHFFFAOYSA-N 404.254 5.918 0 40 HKAB CCOc1ccc(-c2cnc(NCc3ccccc3OCC)n2C[C@@H](C)CC)cc1 199420879 UWKWFNYEVMTSHM-IBGZPJMESA-N 407.558 6.006 0 40 HKAB O=C(Nc1ccc(Cl)cc1)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 212014383 CXOKUHSDIISOGV-JOCHJYFZSA-N 420.896 5.042 0 40 HKAB CCc1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(Br)c1 222955604 RMHUXMJDOMQBEW-HNNXBMFYSA-N 416.359 5.147 0 40 HKAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1C 223461319 SYSUJVAREUZROO-OAQYLSRUSA-N 419.590 6.274 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(SCC(C)C)s1 223609338 YULWMZFSKJYCQK-QGZVFWFLSA-N 401.557 5.236 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)cc1 224210275 AZJQYFSTAVCIDJ-JWQCQUIFSA-N 424.573 5.666 0 40 HKAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 224268555 QUJAJQNVKZHYTC-UHFFFAOYSA-N 415.577 6.051 0 40 HKAB CC(C)Oc1cccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)c1 225867589 XYAYPALQJFVYPT-UHFFFAOYSA-N 422.516 6.249 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ncccc34)CCOCC2)cc1 225874007 FKWPSLXHXGLSKN-UHFFFAOYSA-N 404.510 5.017 0 40 HKAB COc1ccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)c2cccnc12 225877605 BLYLNLXAJOCMQO-UHFFFAOYSA-N 419.594 5.784 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(-c3ccc(Br)cc3C)o2)cc1Cl 226348553 XPHSLLMXIHTJID-UHFFFAOYSA-N 419.706 5.814 0 40 HKAB O=C(NC(=S)NCc1ccccc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 408628704 WFXJWWDNQGKFLU-UHFFFAOYSA-N 405.306 5.058 0 40 HKAB Cc1ccc(Cl)cc1NCc1cc(Br)ccc1OCc1ccccc1 409114664 KUATVLYLRHUKHH-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB O=C1S/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1 409202040 OBLIYTMFQWIJKV-LDADJPATSA-N 415.301 6.025 0 40 HKAB O=C(CSCc1ccccc1Br)Nc1cccc(Cl)c1Cl 409267379 VIHJERQDLYINJT-UHFFFAOYSA-N 405.144 5.628 0 40 HKAB CCOc1ccc(C[C@]2(C)CCc3cc(-c4ccc(C(=O)O)cc4)ccc3O2)cc1 585265389 BDGXJTZTIXYZOH-SANMLTNESA-N 402.490 5.777 0 40 HKAB CC1=C(C#N)[C@@H](c2ccccc2)C2=C(C[C@H](c3ccc(Br)cc3)CC2=O)O1 1070321 YIMAAXDLENHIHZ-VGOFRKELSA-N 420.306 5.761 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4)nc3c2)c(C)c1 1264145 AQLRCYOQCKYKJH-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB COC(=O)c1ccc(Oc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1 1308295 ZCCAJBGHMNTCGA-UHFFFAOYSA-N 408.763 5.395 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)n(-c3ccccc3)n2)cc1C 1389682 NGCLWAJSLFSEBZ-UHFFFAOYSA-N 401.897 6.062 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCc1cnc(Cl)s1 1394674 KPJYIAQKVOXADF-UHFFFAOYSA-N 403.674 5.424 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1cc(Cl)cc(Cl)c1Br 1733044 WFDMZHGRRQVSDX-UHFFFAOYSA-N 423.919 5.771 0 40 HKAB CC(C)(C)c1ccc(Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1 1789840 HPCAWGHWMNTJSD-UHFFFAOYSA-N 408.954 6.124 0 40 HKAB Cc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 2194355 VBJCAQPVDRHUSV-IRLDBZIGSA-N 418.338 6.254 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@@H]3[C@H]2c2ccc(F)cc2)cc1 2377411 ZNMDYRBJLIGPMV-ADZGGFORSA-N 421.556 5.857 0 40 HKAB CCC(=O)c1c(-c2ccc(OC)cc2)c2c3n(c(-c4ccc(F)cc4)cn13)CCCC2 2405945 BNHMCRWJAFQMAJ-UHFFFAOYSA-N 416.496 6.152 0 40 HKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N(C)C(=S)N1C 2616103 SUXWSJBBHQOFMM-SFHVURJKSA-N 420.365 5.109 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1oc2ccccc2c1CSC1CCCCC1 2648226 KOQXALACOAFIBF-UHFFFAOYSA-N 413.970 7.213 0 40 HKAB Cc1ccc(-c2csc3ncnc(NS(=O)(=O)c4ccc(Cl)s4)c23)cc1 2659887 ZCXYFSRBIDPWJV-UHFFFAOYSA-N 421.956 5.182 0 40 HKAB C[C@@]1(c2ccc3noc(-c4ccc(Cl)cc4)c3c2)NC(=O)N(c2ccccc2)N1 3047145 GCTGUQDYSFBOQG-JOCHJYFZSA-N 404.857 5.055 0 40 HKAB O=P1(NCc2ccc(Cl)cc2)C=C(c2ccccc2)SC(c2ccccc2)=C1 3174529 HJAIQYCKPZNRJQ-UHFFFAOYSA-N 423.905 7.452 0 40 HKAB O=C(Nc1cc(NC(=O)c2ccc(F)cc2)cc(C(F)(F)F)c1)c1ccc(F)cc1 3189277 PPICKZYJPXUAQY-UHFFFAOYSA-N 420.337 5.488 0 40 HKAB COc1ccc2c(CSc3nn(-c4ccccc4)c(=S)s3)cc(=O)oc2c1 3451426 HWJGKZZRUQARSB-UHFFFAOYSA-N 414.533 5.071 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1cccc2ccccc12 4090953 IYEKWOOZBHLSJW-PKNBQFBNSA-N 401.318 5.673 0 40 HKAB Cc1cc2ccccc2nc1SCC(=O)N(Cc1ccccc1)c1ccc(F)cc1 4215128 NRVBCTVKLAECJT-UHFFFAOYSA-N 416.521 6.008 0 40 HKAB Cn1nc(C(F)(F)F)c(/C=C/c2nc(-c3ccc(C(C)(C)C)cc3)no2)c1Cl 4285104 AUELYMQDYJQSAX-MDZDMXLPSA-N 410.827 5.610 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc1 4644439 DLWDHBCEXXFQJR-UHFFFAOYSA-N 422.912 6.024 0 40 HKAB O=C(Nc1cccc(Cl)c1)Nc1cccc(-c2csc(-c3ccccc3)n2)c1 4671235 XMXCNLSDDTUNOU-UHFFFAOYSA-N 405.910 6.775 0 40 HKAB CCc1cccc2c(/C=C3\SC(=O)N(Cc4c(F)cccc4Cl)C3=O)c[nH]c12 4682576 HKOQINKGJOTPIL-NVMNQCDNSA-N 414.889 5.759 0 40 HKAB COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3Cc3c(OC)cccc32)cc1 4720776 LQXDFOXLRRBSJM-UHFFFAOYSA-N 422.524 5.999 0 40 HKAB COc1ccc(OC)c([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)c1 4785264 LZDLFTBUTODGAA-BLVKFPJESA-N 400.544 5.345 0 40 HKAB Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 4812356 JQZQIJFMKOOPFP-XZOQPEGZSA-N 412.880 5.144 0 40 HKAB COc1ccccc1C1=NN(c2cc(Cl)ccc2Cl)[C@H](c2ccc(F)cc2)C1 5003172 KFPFGVQVUCSLKW-FQEVSTJZSA-N 415.295 6.497 0 40 HKAB Cc1cc(C)c2sc(N(Cc3cccnc3)C(=O)CCc3ccccc3)nc2c1 5142377 PEFJAPNTNFYTOZ-UHFFFAOYSA-N 401.535 5.474 0 40 HKAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H](NCc1ccccc1)c1ccc(Cl)cc1 6495916 GMNRLJPAUDTNRK-HPIWNNMISA-N 408.973 5.256 0 40 HKAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)cc1 6553532 VNUWQWJYBOUAEK-KRWDZBQOSA-N 406.526 5.414 0 40 HKAB O=C(NC(=S)N(c1ccccc1)c1ccccc1)c1ccccc1Br 6757011 SZNGTIXBDZQLCY-UHFFFAOYSA-N 411.324 5.302 0 40 HKAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)cc1 7406627 GLKGLKQCAGIKHS-UHFFFAOYSA-N 406.294 5.328 0 40 HKAB C[C@H](NC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12)c1ccco1 7470403 BRIBBBSYKBCHFS-LBPRGKRZSA-N 413.499 5.060 0 40 HKAB Cc1ccc(Cn2c([C@H]3CC(=O)N(c4ccccc4Cl)C3)nc3ccccc32)cc1 7542569 IMGJYFXYSOVVSJ-IBGZPJMESA-N 415.924 5.567 0 40 HKAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O 7881912 NEWOSSPYVDYQLL-IBGZPJMESA-N 400.478 5.033 0 40 HKAB CCCC(=O)Nc1ccc(Oc2nc(C(F)(F)F)nc3ccccc23)c(C(C)=O)c1 8325972 QZUANKALLKNSMJ-UHFFFAOYSA-N 417.387 5.382 0 40 HKAB COc1cc(CNC2C3CC4CC(C3)CC2C4)ccc1OCc1ccc(Cl)nc1 8471803 SICWZTGEUFIHOL-UHFFFAOYSA-N 412.961 5.237 0 40 HKAB Cc1c(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc2ccc(F)cc2c1C(=O)O 8819032 DQBIYHGMHGKTLU-UHFFFAOYSA-N 415.342 6.326 0 40 HKAB COc1ccc(OCC(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)cc1 9194816 XDVMYPCMSQEPRT-UHFFFAOYSA-N 422.868 5.483 0 40 HKAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccccc1N1CCCC1 9469895 KKERDUGSXUCKJO-NRFANRHFSA-N 413.565 5.413 0 40 HKAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1 9508139 BHEBAOGQORQBFF-UHFFFAOYSA-N 419.481 5.175 0 40 HKAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 10357687 YJMOWQHIYZYJGG-UHFFFAOYSA-N 418.562 5.617 0 40 HKAB O=C(Nc1ccccc1)c1oc2ccccc2c1NC(=O)c1cc2ccccc2oc1=O 11758390 UCGCJWRKZNTBEL-UHFFFAOYSA-N 424.412 5.044 0 40 HKAB Cc1ncc(-c2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2)o1 12775180 DONFFFQIXKTVGI-UHFFFAOYSA-N 416.808 5.123 0 40 HKAB COc1ccc([C@@H]2OC(c3ccc(Cl)cc3)=Nc3cc4c(cc32)OCCO4)cc1 12854835 WKLBVAVBSPQHFB-QFIPXVFZSA-N 407.853 5.318 0 40 HKAB COc1ccc(-c2ccnc(SCC(=O)Nc3cccc(Cl)c3Cl)n2)cc1 13561651 IDSZBEAYHJOLDA-UHFFFAOYSA-N 420.321 5.190 0 40 HKAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\Nc2ccccc2)cc1O 13942931 LSESCZWFBBIGPL-VYIQYICTSA-N 419.868 5.280 0 40 HKAB COc1ccc(-c2nc(C)c(C(=O)Nc3c(C)cc(C)cc3Cl)s2)cc1OC 15606428 TUJKDIJGKVVBPJ-UHFFFAOYSA-N 416.930 5.658 0 40 HKAB O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc(F)cc1 16401063 SLTPKMBJTLLMIZ-UHFFFAOYSA-N 401.224 6.193 0 40 HKAB CC(C)C(=O)N1CCCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 19085670 GSCDRSQZBDWIAC-NRFANRHFSA-N 419.504 5.131 0 40 HKAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl 20104391 CXXWWIGWNFNCHF-GFCCVEGCSA-N 418.773 5.464 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 20494984 GYNQDKMOXHGPEN-UHFFFAOYSA-N 405.563 6.453 0 40 HKAB O=C(COc1ccc(Cl)cc1)Nc1cc(-c2cccs2)nn1-c1ccccc1 21102324 KCRHNKZPLPSSHT-UHFFFAOYSA-N 409.898 5.272 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc2ccccc2cc1OC 21580571 NVEKJQITZIQBOM-UHFFFAOYSA-N 423.472 5.653 0 40 HKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1C(F)(F)F 23080711 XEUUJTLINIWBBF-UHFFFAOYSA-N 423.822 5.461 0 40 HKAB Cc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2ccccc2Cl)n1 33325012 JUCZNDRVZGAQBY-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CCOC(=O)c1c(Cc2cccc(C(F)(F)F)c2)cn(Cc2ccccc2)c1C 36635945 ADDLTXIIFAKCDW-UHFFFAOYSA-N 401.428 5.631 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38849445 NVHNIDNEZPJPIZ-HNNXBMFYSA-N 407.341 5.161 0 40 HKAB Cc1cc(C)c(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c(C)c1 44786870 FITBYXIWBFODFV-QGZVFWFLSA-N 405.369 5.769 0 40 HKAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 44902201 YGLTWFBZVHLJOD-UHFFFAOYSA-N 423.534 5.025 0 40 HKAB Cn1c2c(sc1=O)[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2c1ccc(F)cc1 49550290 QQKSKLIRHTWXTL-AWEZNQCLSA-N 423.296 5.093 0 40 HKAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)n[nH]2)cc1 51315518 WDUUKOUQOCTYKX-UHFFFAOYSA-N 409.795 5.400 0 40 HKAB Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2S(=O)(=O)c2ccccc2)cc1 57509481 USRMHWWZAJCIBK-GYHWCHFESA-N 409.894 5.460 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)c(C(F)(F)F)c2)c1 59417221 IRQYFSQCZRBBPB-UHFFFAOYSA-N 419.830 7.020 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 59477551 VTRDPYPCUYIWSL-JQIJEIRASA-N 405.457 6.142 0 40 HKAB CC[C@@H](NC(=O)CSc1nc2ccccc2s1)C12CC3CC(CC(C3)C1)C2 67317254 RJVYYMOOEXEGKL-FRXJQHJJSA-N 400.613 5.500 0 40 HKAB CC[C@H](O)C[C@@H](O)CC[C@H]1[C@@H](C)C=CC2=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@@H]21 67665402 DUYNPSLBGDLWAQ-CQETUWSJSA-N 406.607 5.041 0 40 HKAB in-vitro O=C(NCc1cccc2ccccc12)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 70635496 JCINWLFRSNOTEP-NRFANRHFSA-N 414.427 5.142 0 40 HKAB CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1C(=O)C1CCCC1 72370721 ISHNGEZYDHABHL-SFHVURJKSA-N 412.599 5.107 0 40 HKAB O=C(CCc1nc(CSc2nc(-c3ccccc3)cs2)no1)Nc1ccccc1 95481819 CXNBHCJUSWUXAJ-UHFFFAOYSA-N 422.535 5.057 0 40 HKAB Cc1ccc2[nH]c3c(c2c1)C[C@H](Nc1ccc(CCC(=O)N2CCCC2)cc1)CC3 95995884 RWOPSLXKLQLLCM-OAQYLSRUSA-N 401.554 5.001 0 40 HKAB Cc1cccc(-c2ccc3cc(C(=O)NCc4cccs4)c(-c4cocn4)n3c2)c1 96267030 MALWDDPGSCBDOE-UHFFFAOYSA-N 413.502 5.561 0 40 HKAB O=C(c1cc2c(=O)n3ccccc3nc2s1)N(CC1CCCCC1)c1ccccc1 96347286 UAZZDGCRVUCMBV-UHFFFAOYSA-N 417.534 5.136 0 40 HKAB CO[C@H](C(=O)O)c1c(C)nc2ccc(Br)cc2c1-c1ccc(Cl)cc1 98207828 BNDPDYQQAJUJPY-SFHVURJKSA-N 420.690 5.398 0 40 HKAB in-vitro Cc1cccc2c(C(=O)NCC(C)(C)c3cccc(F)c3)cc(-c3ccccn3)nc12 141552324 FVLHPSWJWFYUCE-UHFFFAOYSA-N 413.496 5.452 0 40 HKAB Nc1c(-c2ccc(Br)cc2)ccc(-c2ccc(Br)cc2)c1N 169748322 QMYINXSPOVVTBU-UHFFFAOYSA-N 418.132 5.710 0 40 HKAB C[Si](C)(CCC(F)(F)F)COP(=O)(Oc1ccccc1)Oc1ccccc1 195529294 XGDZFBXEESPYGQ-UHFFFAOYSA-N 418.424 6.469 0 40 HKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(Cl)cc4C)ccc32)c1 223083137 ADEVTNUAZWCCNI-UHFFFAOYSA-N 418.924 5.802 0 40 HKAB Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2)c(C)c1 223150282 PFFWTGCIWRBLNG-JIPXPUAJSA-N 413.561 5.855 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1C(C)C 223318352 TXAJYXQCBSMUPB-OALUTQOASA-N 411.586 6.069 0 40 HKAB Cc1cccc(C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224028163 XRGHUICRJSKREM-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)c1 224310081 AKUPDAVQPOFPSI-DQEYMECFSA-N 424.573 5.666 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccc(Cl)c(C)c1 224542446 APMKNOHRMXJERE-UHFFFAOYSA-N 413.876 6.018 0 40 HKAB CCCCCNC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224946220 JXIDLULIVDZVON-UHFFFAOYSA-N 413.315 5.691 0 40 HKAB COc1ccc(-c2c(C(F)(F)F)nn(-c3cccc(C(F)(F)F)c3)c2N)cc1 225182368 LBLCGYRUKMXEQW-UHFFFAOYSA-N 401.310 5.168 0 40 HKAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC(C)C)cc1 225334774 HADQAFYZSNRFBM-VQTJNVASSA-N 409.580 5.416 0 40 HKAB Cc1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1N1CCCC1=O 225408293 IQJRWDUPWDMVLQ-QGZVFWFLSA-N 409.599 5.467 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 225502252 SVPOINSFPXXOEO-GOTSBHOMSA-N 423.553 5.150 0 40 HKAB COc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1C(C)C 225672850 RGHSVHYXGPNVIY-RUZDIDTESA-N 423.578 5.503 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c2ccccc12 225761981 FWFFMFCYKHQMLF-LJQANCHMSA-N 419.540 6.997 0 40 HKAB CC[C@H]1CCCCN1CCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 225779320 FGKYHJBMGHUMSW-NRFANRHFSA-N 414.977 5.303 0 40 HKAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260812389 AZYIGLLFSDGIJG-YKSBVNFPSA-N 404.595 5.110 0 40 HKAB Cc1cccc(Oc2ccc(C(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2)c1 408617002 AZQCAEAZRWAMKH-UHFFFAOYSA-N 423.295 7.585 0 40 HKAB COc1ccc(Cl)cc1NC(=S)NC(=O)c1cccc2c(Cl)cccc12 408617656 AVPWRSHEXLBDCI-UHFFFAOYSA-N 405.306 5.282 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)c(C)c3)n2)c1 408698003 KWWPJOTUOMHGBG-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CC(C)CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccccc21 409109842 MMWMRBBWSLLXAR-UNOMPAQXSA-N 412.316 6.797 0 40 HKAB CCc1ccccc1NCc1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1 409115667 KIBHJGRFCCPDHH-UHFFFAOYSA-N 416.348 6.756 0 40 HKAB CCCCC1CCC(C(=O)N[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C(C)C)CC1 1505840606 FPKQMBMURRJOPK-PMTKGXAQSA-N 410.961 5.555 0 40 HKAB COc1ccc(Br)c(C(=O)NCCc2ccc(-c3cccs3)s2)c1 1889280900 HVKQXCZADRXZKC-UHFFFAOYSA-N 422.369 5.220 0 40 HKAB C(=C1c2ccccc2[C@@H]2[C@@H]1O[C@@H]1/C(=C\c3ccccc3)c3ccccc3[C@@H]12)c1ccccc1 2049238508 QTCLDESTKURNLW-OUPQGNBQSA-N 424.543 7.430 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)cc1C 924486 FEXJNZZDFRLQMU-UHFFFAOYSA-N 421.570 5.193 0 40 HKAB Cc1sc(NC2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1 1337766 NBDMESCOGGGNSK-UHFFFAOYSA-N 409.599 5.942 0 40 HKAB Clc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccco4)ncnc32)cc1 1447706 MHOHLOXKSDJONU-UHFFFAOYSA-N 400.869 5.946 0 40 HKAB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccccc1F 2068850 LQEDNEZDTIQEFR-UHFFFAOYSA-N 401.553 6.549 0 40 HKAB CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(Cl)cc2)N1c1ccc(N(C)C)cc1 2137509 HDGHQVKUVRDZNZ-XMMPIXPASA-N 418.928 5.334 0 40 HKAB CCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1c(C)cc(C)cc1C 2177015 JUXPMJZUKXQIHW-KUXWUFDLSA-N 409.573 6.874 0 40 HKAB COC(=O)c1c(NC(=O)CCOc2cccc(C)c2)sc(-c2ccccc2)c1C 2260923 GIPCMCLOLCRVJS-UHFFFAOYSA-N 409.507 5.226 0 40 HKAB Clc1ccccc1-c1nc(Nc2ccc(Br)cc2)c2ccccc2n1 2266390 HPSFGCRRUQJJLI-UHFFFAOYSA-N 410.702 6.456 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@@H](C(C)C)OC3 2316823 CPKMHGZNBBDPKX-KRWDZBQOSA-N 414.596 5.355 0 40 HKAB COc1ccc(OCc2nnc(SCc3ccc(F)cc3)n2-c2ccccc2)cc1 2524193 WZAJBRJOBACLLX-UHFFFAOYSA-N 421.497 5.286 0 40 HKAB O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NC1CCCCCC1 2626834 GRDOKCWOSDQWEP-UHFFFAOYSA-N 424.545 5.005 0 40 HKAB Clc1cccc(-n2cc(-c3ccccc3)c3c(N4CCCCCC4)ncnc32)c1 2714639 DXDKPCAMABXOIG-UHFFFAOYSA-N 402.929 6.121 0 40 HKAB O=C(Nc1ccccc1Cl)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 3012977 ACYGOXPBOVFQTQ-UKRRQHHQSA-N 410.783 5.042 0 40 HKAB Cc1c(-c2ccccc2)nn(OCc2cccc(C(F)(F)F)c2)c1-c1ccccc1 3051255 BVAHASVXHMGFAI-UHFFFAOYSA-N 408.423 6.173 0 40 HKAB O=P(Oc1ccccc1)(Oc1ccccc1)O[C@@H](c1ccccc1)C(F)(F)F 3130281 AMNKRZZZUCRFKM-IBGZPJMESA-N 408.312 6.573 0 40 HKAB Cc1ccc(-n2c(C)nnc2-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1 3177366 XPXSRJZJUFDNTC-UHFFFAOYSA-N 401.513 6.885 0 40 HKAB O=C(COc1ccc(Oc2ccccc2)cc1)Nc1ccc(N2CCCCC2)cc1 3241493 RFWRHNDENSADJO-UHFFFAOYSA-N 402.494 5.487 0 40 HKAB O=C(CSc1nnc(NCc2ccccc2)s1)c1ccc(Cl)cc1Cl 3273225 KXZRKHDNALEARJ-UHFFFAOYSA-N 410.351 5.432 0 40 HKAB Cc1sc2ncnc(Sc3nnc(-c4cccs4)n3-c3ccccc3)c2c1C 3281213 NVKLYMYBYOVLKN-UHFFFAOYSA-N 421.576 5.769 0 40 HKAB COc1ccccc1C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 3655367 QFTFCYYKWIUIRJ-UHFFFAOYSA-N 405.837 5.578 0 40 HKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)OC1CCCCC1 4130349 AHPYRDFTKFXZLM-UHFFFAOYSA-N 412.942 5.918 0 40 HKAB CCCCOP(=O)(OCCCC)[C@H](Nc1ccc(CC)cc1)c1ccccc1 4173965 XHPYJQIJTHHYFK-QHCPKHFHSA-N 403.503 7.186 0 40 HKAB C[C@H]1CCc2sc(NC(=O)c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2C1 4177456 YAMXSXIJYRMRSJ-AWEZNQCLSA-N 406.507 5.016 0 40 HKAB Cc1ccccc1NC(=O)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 4592769 LYQHHZFBLKTELL-UHFFFAOYSA-N 420.512 6.018 0 40 HKAB CCCc1cc(C(=O)Nc2c(C)nn(Cc3ccc(Cl)c(Cl)c3)c2C)no1 4881252 HYPAVKRMZIXUMA-UHFFFAOYSA-N 407.301 5.048 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cc3ccc(Cl)cc3)cc2)cc1 5379986 VCAMLWFNZWCZNG-UHFFFAOYSA-N 407.941 6.246 0 40 HKAB CCOc1ccc2nc(NC(=O)C3c4ccccc4Oc4ccccc43)sc2c1 6048391 XBFNIGPUDUXVLN-UHFFFAOYSA-N 402.475 5.571 0 40 HKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)C2CCCCC2)n(C2CCCC2)c1C 6143834 UWUMZAAMMKCAGJ-UHFFFAOYSA-N 404.558 6.282 0 40 HKAB CCOc1cc(C(=O)Nc2cccc3ccccc23)ccc1OCc1ccc(C)cc1 6155532 NDCFMAAINZOLCE-UHFFFAOYSA-N 411.501 6.378 0 40 HKAB O=C(Oc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)c1ccc(Cl)cc1Cl 6610145 JXFUWTAQBNBLTO-UHFFFAOYSA-N 411.244 5.116 0 40 HKAB CCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O 6879195 BCNSKOMFVMMUNY-PXLXIMEGSA-N 403.503 5.865 0 40 HKAB CN(C)C(=O)[C@H](Sc1nc(-c2cccs2)nc2ccccc12)c1ccccc1 7112206 JFOIUIBJWGLPPL-LJQANCHMSA-N 405.548 5.280 0 40 HKAB COc1cccc(CNCCc2ccccc2)c1OCc1ccc(Cl)cc1Cl 8495438 NYICFFGWWWKEBX-UHFFFAOYSA-N 416.348 5.913 0 40 HKAB CCOc1ccc2nc(SCC(=O)N[C@H](c3ccccc3)c3cccs3)[nH]c2c1 9199875 LYGJHLFXVVOHOC-OAQYLSRUSA-N 423.563 5.021 0 40 HKAB Fc1ccc(CSc2nnc3c4ccccc4n(Cc4ccccc4)c3n2)cc1 9261925 PVOYRQYIYVEDQX-UHFFFAOYSA-N 400.482 5.459 0 40 HKAB O=C(c1csc(-c2ccc(F)cc2)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 9335697 REAHGBPFEUSVCN-HNNXBMFYSA-N 423.538 5.579 0 40 HKAB O=C1c2ccccc2N[C@H](c2c[nH]nc2-c2ccc(Cl)cc2)N1Cc1ccco1 9740568 LHVURUGJUULQHF-NRFANRHFSA-N 404.857 5.090 0 40 HKAB CC(C)CCOc1ccccc1C(=O)Nc1cccc(OCCCc2ccccc2)c1 10373391 FXQDSMNRJYJQTB-UHFFFAOYSA-N 417.549 6.375 0 40 HKAB Cc1oc(-c2ccccc2)nc1CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 12475960 HWMCUHAYIXNJJA-UHFFFAOYSA-N 424.835 5.657 0 40 HKAB C[C@H]1Cc2ccccc2N1C(=O)Cn1c(SCc2ccccc2)nc2ccccc21 12625589 GIBQXPZYYHISFD-SFHVURJKSA-N 413.546 5.306 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)NCc1ccccc1CN1CCCCC1 14701611 XFZCMXFVVRGAPZ-UHFFFAOYSA-N 412.577 5.511 0 40 HKAB Cc1ccc(-c2c(C(F)(F)F)nn3c(Nc4ccc(F)cc4)cc(C)nc23)cc1 15840025 OUBJCGLQSBEVPS-UHFFFAOYSA-N 400.379 5.915 0 40 HKAB Cc1ccc(NC(=O)OCCc2ccccc2)cc1NC(=O)OCCc1ccccc1 16347529 NOPBFIGBHDYXIR-UHFFFAOYSA-N 418.493 5.577 0 40 HKAB CC(=O)C[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 16757733 IWZLZSIPBRRFCQ-GOSISDBHSA-N 401.535 5.856 0 40 HKAB C[C@H](Sc1ncc(-c2cccc(Br)c2)o1)C(=O)Nc1ccccc1 16843867 IMZXEUOFIIPMAX-LBPRGKRZSA-N 403.301 5.223 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 17090506 SDHUDJFLCHTEME-UHFFFAOYSA-N 416.304 6.582 0 40 HKAB CCOc1cc2c(cc1CN[C@@H](Cc1ccsc1)c1nc(C)cs1)O[C@H](C)C2 19532529 NSFQGPGVARSDJG-BEFAXECRSA-N 414.596 5.309 0 40 HKAB C[C@@]1(C2CCN(C(=O)C3CCCCC3)CC2)CCCCN(CCc2ccccc2)C1=O 19744956 VXJWBLPWICLZJT-MHZLTWQESA-N 424.629 5.067 0 40 HKAB Cn1c(C(=O)NC[C@@H]2CCCO2)c(-c2ccc(Cl)cc2)c2cc(Cl)ccc21 19894318 MNRVJGSZAQNAJY-INIZCTEOSA-N 403.309 5.061 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20144307 YIBICNYESOGHDB-UHFFFAOYSA-N 406.265 5.072 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 22514696 CVHLJOMAHJFHNM-HXUWFJFHSA-N 414.549 5.529 0 40 HKAB CC(C)(C)c1ccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2CCCO)cc1 27525655 XAMKUXJTZYRSCW-FLFQWRMESA-N 400.975 5.782 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2cccs2)C1 32755181 IYIOWCKSKCKFRP-KRWDZBQOSA-N 406.507 5.031 0 40 HKAB Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCCc1cccs1 40114891 DBXHJVMGUYJEBQ-UHFFFAOYSA-N 422.934 5.135 0 40 HKAB O=C1Nc2cc(Cl)ccc2/C1=C/c1cccc(NC(=O)c2ccccc2Cl)c1 48325687 XWFMZDSTQLNDCN-WQRHYEAKSA-N 409.272 5.738 0 40 HKAB CCc1cccc(C)c1NC(=O)CSc1nccn2nc(-c3cccs3)cc12 67290147 WLLUIWIJWXQKLJ-UHFFFAOYSA-N 408.552 5.059 0 40 HKAB COc1cccc(CSc2nc3ccsc3c(=O)n2CCc2ccccc2)c1 71327592 QPGKEHZEOVBWOX-UHFFFAOYSA-N 408.548 5.002 0 40 HKAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 72357995 JKYPRTOZLRKSAY-HSZRJFAPSA-N 408.904 5.371 0 40 HKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@H]1c1ccccc1 100429290 UXMSOTAOHFGXBS-JIPXPUAJSA-N 408.501 6.257 0 40 HKAB Nc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)N(c3ccccc3)[N]2)cc1 100933020 WARAGHYKKNQOBU-UHFFFAOYSA-N 404.497 5.175 0 40 HKAB O=C1/C(=C/Nc2c(F)cccc2F)c2ccccc2C(=O)N1c1ccccc1Cl 103005179 ZMUSPIQFSFKIKA-NTCAYCPXSA-N 410.807 5.258 0 40 HKAB Cc1cccc(CCCNC(=O)COc2ccc(C(C)C)cc2Br)c1 218875068 VPAPCSYWVDFJCZ-UHFFFAOYSA-N 404.348 5.009 0 40 HKAB CCc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 222589260 QCFKDXIQDXYCBV-QGZVFWFLSA-N 409.982 6.686 0 40 HKAB CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2cccc3ccccc23)c2ccccc2O1 222977360 WDDDXSRIPXJXSF-GCJKJVERSA-N 403.522 5.806 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccccc1C(C)(C)C 224168026 MROPTCRIFFULPU-UHFFFAOYSA-N 417.549 6.441 0 40 HKAB CCCCOCc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC 224438162 XQWOWWKQGOVPOC-UHFFFAOYSA-N 415.839 5.936 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C(C)C)cc3)o2)cc1 224908011 RXAFRJWUABSKAS-UHFFFAOYSA-N 412.489 6.393 0 40 HKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225091255 RZBLQUIFAKEYAJ-DEOSSOPVSA-N 422.613 5.250 0 40 HKAB Cc1ccccc1[C@@H](NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccc1 225503651 ORPSXXBOBKBIQJ-FQEVSTJZSA-N 400.469 6.090 0 40 HKAB CCC(C)(C)NC(=O)C1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCOCC1 257289371 PYHOSMFWLUJKPF-UHFFFAOYSA-N 413.533 5.145 0 40 HKAB CCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccccc2OCC)n(CC(C)C)n1 257342393 ZOJOWHGEIKLVOB-UHFFFAOYSA-N 422.525 5.759 0 40 HKAB O=C(CN(C1CCCCC1)C1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl 408582340 NAXVMQGGYFUAQT-UHFFFAOYSA-N 416.915 6.265 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc4ccccc34)nn2-c2ccc(C)cc2)cc1 408697609 INHHADORFBGTEO-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1CCCc1ccccc1 409129698 LSOBSOXVBDRICM-RCCKNPSSSA-N 423.921 6.269 0 40 HKAB Cc1ccc2c(c1C)OC(C)(C)[C@H]1C[C@H](C(=O)O)[C@H](CCc3cccc(F)c3)O[C@H]21 585265040 SEXWGZIYIQOMHC-VVSUKSJXSA-N 412.501 5.393 0 40 HKAB COc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 2033377416 YIPJBSXSAMSSSQ-UCRYJKDJSA-N 410.598 5.453 0 40 HKAB CC(=O)N1CCCCCCN(C(=O)c2cc(Cl)cc(Cl)c2)Cc2ccccc21 2037885093 XVIOWKSFGFLEFQ-UHFFFAOYSA-N 419.352 5.563 0 40 HKAB Cc1c(Cl)cccc1C(=O)N1CCC2(CC1)CN(c1ccccc1)c1ccccc12 2055738835 UJQSJZCBYRJDRL-UHFFFAOYSA-N 416.952 5.974 0 40 HKAB CCc1ccc2oc(-c3cccc(NC(=O)c4cccc(OC(C)C)c4)c3)nc2c1 849011 ZPDLZHDGFRGDQS-UHFFFAOYSA-N 400.478 6.097 0 40 HKAB O=C(Nc1ccc2ccccc2c1)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1 850941 XNIMHVGLUFAZLW-LFVJCYFKSA-N 410.448 5.389 0 40 HKAB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccco1 985445 ZWCQCKUVEJJNLL-UHFFFAOYSA-N 403.550 6.093 0 40 HKAB CC(C)(C)c1ccc(OCCn2cc(C(=O)c3cccs3)c3ccccc32)cc1 1106399 WBIMSZMWCUKOQF-UHFFFAOYSA-N 403.547 6.310 0 40 HKAB COc1cc([C@H]2Nc3ccc(Cl)cc3[C@@H](c3ccccc3)O2)cc(OC)c1OC 1303746 JUFWFWSUTQTHPJ-GGAORHGYSA-N 411.885 5.596 0 40 HKAB Cc1ccccc1C(=O)Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1 1772393 FRNZSUDXYRMMGL-UHFFFAOYSA-N 422.436 6.266 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccc(F)c(F)c1 2026512 KVJRTGZJWLQKSF-UHFFFAOYSA-N 406.215 5.755 0 40 HKAB Cc1cc(OC(=O)c2ccc(-c3ccccc3)cc2)c(C(C)C)cc1Br 2134622 HAOBEZYPIRCZJD-UHFFFAOYSA-N 409.323 6.767 0 40 HKAB S=c1[nH]nc(-c2ccccc2)c2c(-c3ccccc3)n(-c3ccc(Cl)cc3)nc12 2181174 GYYQVDOFCJRNFF-UHFFFAOYSA-N 414.921 6.465 0 40 HKAB COc1ccc(OC)c([C@H](O)P(=O)(OC2CCCCC2)OC2CCCCC2)c1 2349377 HWJMPIBBUPXZRY-OAQYLSRUSA-N 412.463 5.586 0 40 HKAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccccc1Cl 2889676 MUHHPAORHACYSK-UHFFFAOYSA-N 406.290 5.761 0 40 HKAB COc1ccc([C@H]2CC(c3ccccc3)=C[C@](O)(C(C)(C)C)[C@@H]2C(=O)C(C)(C)C)cc1 2901385 BLCORHYSCGUWJY-FMGHJNRGSA-N 420.593 6.275 0 40 HKAB Clc1ccc(CCNc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1 2974914 FPZBZYWLZMXLNR-UHFFFAOYSA-N 424.935 6.396 0 40 HKAB Cc1ccc(SCc2nn(C)c(Cl)c2CSc2ccccc2Cl)cc1 3105908 YXKQKWHRBBQUPG-UHFFFAOYSA-N 409.407 6.620 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3nnc(-c4ccccc4)o3)c3ccccc3n2)cc1 3242561 INYYTXHWUXYOOV-UHFFFAOYSA-N 406.445 5.513 0 40 HKAB O=C(CCCSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccc(F)cc1 3404248 CGWXRNTWZCMUEG-UHFFFAOYSA-N 418.493 5.280 0 40 HKAB CC(C)CNC(=O)c1c(NC(=O)CC(C)C)sc2c1CCCCCCCCCC2 4155128 XTLQZVUSOMICJF-UHFFFAOYSA-N 420.663 6.338 0 40 HKAB CCOc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccc(Cl)cc1 4413527 FYKNKGMDTSJCNS-UHFFFAOYSA-N 417.336 5.656 0 40 HKAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccccc2C)n2c(nc3ccccc32)N1 4742051 PYWPHQNUXXSFDH-XMMPIXPASA-N 408.505 5.581 0 40 HKAB Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccco1)C(=S)Nc1ccccc1 4920456 PDOWSVICTGFCJU-UHFFFAOYSA-N 407.514 5.650 0 40 HKAB Cc1ccccc1NC(=O)C(=CNc1ccc(F)cc1)C(=O)Nc1ccccc1C 5549168 PKPPJFAHNZVJMH-UHFFFAOYSA-N 403.457 5.016 0 40 HKAB Clc1ccc(/C=C/c2nc3ccccc3nc2/C=C/c2ccc(Cl)cc2)cc1 5942152 JLFFBDUXGIUJMB-KAVGSWPWSA-N 403.312 7.277 0 40 HKAB CCCCC(=O)NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 5977993 USQVKQRCHJZGHT-UHFFFAOYSA-N 403.507 5.651 0 40 HKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)cc1C 6161544 IQGKEDXXMNFMBZ-UHFFFAOYSA-N 420.365 5.708 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)c1 6478343 QXNSDWPSOKLECA-UHFFFAOYSA-N 410.311 5.897 0 40 HKAB Cc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(C)n1-c1cccc(Cl)c1 6903222 WYGUPMGCIYVXDR-KGENOOAVSA-N 403.913 5.013 0 40 HKAB C[C@@H](Oc1ccccc1F)c1nnc(SCC(=O)c2ccc3c(c2)CCCC3)o1 7137243 AUZXOINKKVRMBC-CQSZACIVSA-N 412.486 5.203 0 40 HKAB COc1cccc(CNCc2ccccn2)c1OCc1ccc(Cl)cc1Cl 7276375 SQXYBULHDCTZBR-UHFFFAOYSA-N 403.309 5.266 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)c3cc4c(F)cccc4s3)n2)c1 7782394 MSFPHVIVWJPUMT-UHFFFAOYSA-N 414.483 5.433 0 40 HKAB O=C(CCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccc(Cl)s1 8086400 JOAIVEVWQAUWHS-UHFFFAOYSA-N 418.971 5.380 0 40 HKAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccccc2)c2ccccc12 8187182 JARVVBSOVXKYMH-KRWDZBQOSA-N 411.530 5.367 0 40 HKAB COc1cc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)ccc1OC(C)C 8277467 DDIPEUATCBOLGG-YBFXNURJSA-N 416.930 5.336 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 9594785 AXLXTMWVMQDUPX-UHFFFAOYSA-N 421.884 5.684 0 40 HKAB Cc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 10233029 SWTPNEKVZRZJDK-GOSISDBHSA-N 422.893 5.270 0 40 HKAB CC(=O)c1c(OC(=O)c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1 10339474 DDWQCSFEFCQBHC-UHFFFAOYSA-N 401.849 5.977 0 40 HKAB CCOc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(Br)cc32)cc1 12486414 QLYXBFRPNSWTEV-UHFFFAOYSA-N 420.310 5.282 0 40 HKAB Fc1ccccc1-c1nnc([C@H](Nc2ccc(Br)cc2)c2ccccc2)o1 13364416 IVMKPUJYRDVCGP-LJQANCHMSA-N 424.273 5.840 0 40 HKAB O=C(CSc1ccccc1C(=O)Nc1cccc(Cl)c1)NCC1CCCCC1 14427419 JGOKJAOAPOTSTD-UHFFFAOYSA-N 416.974 5.381 0 40 HKAB CC(C)=CCC[C@]1(C)C=Cc2c(ccc([C@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)O1 14690613 PCZZLTRWCMPYNK-PXDATVDWSA-N 422.477 5.421 0 40 HKAB biogenic,in-vitro CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)NCCC(c1ccccc1)c1ccccc1 15746542 DHJHVSUPQKWXTJ-PEISPCAHSA-N 417.549 5.018 0 40 HKAB Cc1cc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3)o2)ccc1Br 16282218 XSEIXUAYTCIXKU-HXUWFJFHSA-N 420.310 6.009 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(N4C[C@@H](C)C[C@@H](C)C4)ncnc32)cc1 16712838 IUXVSJBKGZUBPX-KDURUIRLSA-N 412.537 5.578 0 40 HKAB Cc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc4ccccc4c3)s2)cc1 17051871 PPSXAJFFNFXKRZ-UHFFFAOYSA-N 422.575 5.101 0 40 HKAB O=C(NC(=S)Nc1ccc2ccccc2c1)c1cccc(OCc2ccccc2)c1 17089236 NLJPEKXGFQTDRE-UHFFFAOYSA-N 412.514 5.546 0 40 HKAB Cc1ccccc1-c1ncc(CN[C@@H](Cc2ccsc2)c2ncccc2C)cn1 19237562 VGOSKULJDSMIHM-QFIPXVFZSA-N 400.551 5.291 0 40 HKAB COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1OC 21706933 MPLWHHKHVDNPSL-UHFFFAOYSA-N 400.434 5.278 0 40 HKAB Cc1ccccc1[C@@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccccc1 22519290 CIIZFPSEEMBPHT-MHZLTWQESA-N 407.513 6.093 0 40 HKAB O=C(NC[C@H](c1ccc(Br)cc1)c1c[nH]c2ccccc12)c1ccco1 27744705 IYMJPEYXYMUFHX-QGZVFWFLSA-N 409.283 5.085 0 40 HKAB Cc1ccccc1-n1c(S[C@H](C)c2nc(C(C)C)no2)nc2ccccc2c1=O 27775083 IHXYPAFRXCWIFP-OAHLLOKOSA-N 406.511 5.054 0 40 HKAB COc1ccc([C@H]2CCCN2Cc2csc(-c3ccc(OC)cc3OC)n2)cc1 32751423 PUELBQWMRXYWCZ-OAQYLSRUSA-N 410.539 5.173 0 40 HKAB COc1ccc(-c2noc(-c3cccnc3N[C@@H](C)c3ccc(Cl)cc3)n2)cc1 33004403 ZZWWPIXLFNIHPS-AWEZNQCLSA-N 406.873 5.634 0 40 HKAB COc1ccc(-n2nc(C)c3c(C(F)F)cc(-c4cccc5ccccc45)nc32)cc1 36616758 JTBXSHXKYLDDEU-UHFFFAOYSA-N 415.443 6.495 0 40 HKAB Cc1ccccc1NC(=O)CCCCCCCCCCC(=O)Nc1ccccc1C 38990701 YIJLUUUCMJVUMV-UHFFFAOYSA-N 408.586 6.782 0 40 HKAB O=S(=O)(Cc1csc(-c2ccccc2)n1)Cc1csc(-c2ccccc2)n1 40070179 ALAYKCBXYCYDNB-UHFFFAOYSA-N 412.561 5.049 0 40 HKAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1CN(C)C1CCCCC1 40103367 CZSYMYCSQUQACC-UHFFFAOYSA-N 423.557 5.234 0 40 HKAB O=C(Nc1nc(-c2cccnc2)cs1)c1cc(-c2cccnc2)nc2ccccc12 40160236 ZQKSFAXBYPWISV-UHFFFAOYSA-N 409.474 5.068 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)c(Br)c1 44838278 RUQJFMXUEXTFAR-UHFFFAOYSA-N 406.283 5.553 0 40 HKAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)c(C(F)(F)F)c1 48375215 YNIAVLLOXPCXMT-AWEZNQCLSA-N 422.447 5.502 0 40 HKAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 58886093 XSPOOXYBBACSTQ-UHFFFAOYSA-N 404.535 5.118 0 40 HKAB c1ccc(OCc2nnc(SCc3c[nH]c4ccccc34)n2-c2ccccc2)cc1 59489567 WTETZUBFVWEFIL-UHFFFAOYSA-N 412.518 5.620 0 40 HKAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2cccc(OC)c2)cc1 67259229 JVSOVUWJTJQSIF-UHFFFAOYSA-N 400.503 5.330 0 40 HKAB Cc1ccc(-c2cc3c4nnc(SCc5cc(F)cc(F)c5)n4ccn3n2)cc1C 67260638 WBGHNEKCHUFEKC-UHFFFAOYSA-N 421.476 5.231 0 40 HKAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)Nc1ccccc1-c1nc2ccccc2s1 84012031 XIHYYIRYRXVUHS-ZDUSSCGKSA-N 405.527 5.196 0 40 HKAB Cc1occc1-c1nnc(SCc2cccc(NC(=O)OC(C)(C)C)c2)n1C 84044288 JXKPQCJMZWCPQS-UHFFFAOYSA-N 400.504 5.023 0 40 HKAB Cn1ccnc1-c1sc(NC(=O)[C@@H]2C[C@H]2c2ccccc2F)nc1-c1ccccc1 95348754 XCXGUKFPHZZQDX-DLBZAZTESA-N 418.497 5.092 0 40 HKAB CCCCN(CC)C(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 96037445 SFIHIFHMHAXPGN-UHFFFAOYSA-N 415.541 5.047 0 40 HKAB O=S(=O)(/C(=C\Nc1ccc(Cl)cc1)c1ccc(Cl)nc1)c1ccccc1 100401371 MVIFRSAYYZJFCM-AQTBWJFISA-N 405.306 5.273 0 40 HKAB CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@H]1c1ccccc1 100429296 WKLOLQJVZKVBMU-RBTNQOKQSA-N 422.528 6.647 0 40 HKAB CC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)c3c2[C@@H]2CC[C@]3(C)C2(C)C)cc1 100715890 GIDULPZDMIBFIE-FNZWTVRRSA-N 413.521 5.502 0 40 HKAB COc1cccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccc(C)cc4)CC(O)=C32)c1 102634045 ZUKDKYNJLZUXDF-DCFHFQCYSA-N 410.517 6.633 0 40 HKAB CC(C)(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 103718391 XSSQEYGRGUQBQB-CYBMUJFWSA-N 405.325 5.283 0 40 HKAB O=C1S/C(=C\c2cc(Cl)cc(Cl)c2O)C(=O)N1Cc1ccc(Cl)cc1 106688446 HROLMHKRCWAMSI-NSIKDUERSA-N 414.697 5.589 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1C(C)C 223386505 NFLKKDCFIRXEDB-HNNXBMFYSA-N 408.369 6.244 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)COc2cccc(C(F)(F)F)c2)cc1C(C)C 223392183 ARASZWWUNQLRTR-OAHLLOKOSA-N 409.448 5.402 0 40 HKAB COc1ccc(/C=C(/C(=O)NCCOc2ccc(Cl)cc2)c2ccccc2)cc1 223427155 SLNPOFDYWUNKMQ-HAVVHWLPSA-N 407.897 5.084 0 40 HKAB CC[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(OC)c(C)c1 224068204 FVUGGYFQKPXZOD-QFIPXVFZSA-N 423.940 6.117 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NCCC3=CCCCC3)o2)cc1 224915888 GXWZLNSNBKTURD-UHFFFAOYSA-N 416.521 6.028 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)ccc21 225133586 INGNWNBAKMJBMB-RCCKNPSSSA-N 414.530 5.823 0 40 HKAB O=C(COc1cccc(CNc2ccc(Cl)cc2Cl)c1)Nc1ccccc1 408607284 KNIFEANMBXMYSL-UHFFFAOYSA-N 401.293 5.623 0 40 HKAB Cc1ccc(Oc2ccc(C(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2)cc1 408624074 UDWSSLCZONTTGZ-UHFFFAOYSA-N 423.295 7.585 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CCCN1C(=O)OCc1ccccc1 408999881 SSVPWGIFRDBVLW-OAQYLSRUSA-N 414.461 5.326 0 40 HKAB COc1ccccc1C(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1 409052424 SEQRNCRDWSCGFV-UHFFFAOYSA-N 404.466 5.877 0 40 HKAB CCc1ccccc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 409164473 JBYNNPADOOZSEJ-UHFFFAOYSA-N 411.527 5.065 0 40 HKAB CCCCOc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(Cl)cc3)n2C)cc1 409205481 NROHKQGUJYOFKS-GYHWCHFESA-N 414.958 5.635 0 40 HKAB Ic1ccc(-c2ccc(-c3nc4ccccc4s3)o2)cc1 409263920 CXHLYJOWPRYVKW-UHFFFAOYSA-N 403.244 5.828 0 40 HKAB CC(C)Cc1ccc(C[C@]2(C)CCc3ccc(-c4ccc(C(=O)O)cc4)cc3O2)cc1 585265786 QBNFHQWUIDJRLB-NDEPHWFRSA-N 414.545 6.577 0 40 HKAB Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 585293187 RVJDNPCKCGFJQZ-GNNUASRNSA-N 412.537 5.256 0 40 HKAB Cc1cc2c(cc1-c1ccnc3ncnn13)N(C(=O)c1ccccc1)C(C)(C)C[C@@H]2C 618256962 PFHKLMZRQYJBAJ-KRWDZBQOSA-N 411.509 5.032 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(C(C)C)cc2)c(C(C)C)cc1Br 935581 HMENWGZANMGSCY-UHFFFAOYSA-N 404.348 6.022 0 40 HKAB COc1ccc(-c2c(C)oc3cc(OCc4cccc(Cl)c4)ccc3c2=O)cc1 1463853 QGYZOTMDVWTCGZ-UHFFFAOYSA-N 406.865 6.009 0 40 HKAB biogenic Clc1ccc2nc(CSc3nc4ccccc4s3)c(Br)n2c1 1510349 HTDWWPFWLJUYFT-UHFFFAOYSA-N 410.749 5.652 0 40 HKAB CC(C)c1ccccc1OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 1808231 YSOKQBBAXLUTMA-UHFFFAOYSA-N 407.897 5.712 0 40 HKAB CC(C)(C)c1ccc(Oc2coc3cc(OCc4ccccc4F)ccc3c2=O)cc1 1915182 MMHJCJUEZATVQV-UHFFFAOYSA-N 418.464 6.601 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCCCCCCC2 2091651 SDUCTXWUMPJDAC-UHFFFAOYSA-N 403.544 5.990 0 40 HKAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc2c(c1)c1ccccc1n2CC)C3 2113052 WBUAPOGKKXMZQL-UHFFFAOYSA-N 424.500 5.840 0 40 HKAB biogenic COc1ccc(-c2nnc(S)n2-c2ccc(Oc3ccccc3)cc2)cc1OC 2234319 RQFBOJWIFOYZLW-UHFFFAOYSA-N 405.479 5.033 0 40 HKAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(Cl)cc3Cl)NC(=O)CCN21 2364421 IRWKMDKPVLRDRR-RCHCNPRSSA-N 401.337 5.329 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)c3cc(F)c(F)cc3Cl)n2)c1 2651573 IYZPTCHVMJXAEM-UHFFFAOYSA-N 410.829 5.011 0 40 HKAB CC(C)(C)c1cc(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)cc(C(C)(C)C)c1 3216073 FBKOEUAYHUJKSK-UHFFFAOYSA-N 419.924 5.870 0 40 HKAB CC(=O)c1ccc(N(C(=O)c2ccc(Cl)cc2)c2nc3ccccc3s2)cc1 3268508 QWFIPOYONITRIZ-UHFFFAOYSA-N 406.894 6.131 0 40 HKAB COc1ccc(O[C@@H]2C(=O)N(c3ccc(C)c(C)c3)[C@H]2c2ccccc2Cl)cc1 3625436 XLOBFWGIQZGZSS-GOTSBHOMSA-N 407.897 5.501 0 40 HKAB c1ccc(Sc2ccc(-c3nc(-c4ccccc4)[nH]c3-c3ccccc3)cc2)cc1 3669287 QXTLXDWTGLXYRT-UHFFFAOYSA-N 404.538 7.562 0 40 HKAB CC1(C)C[C@H]([C@@H](CCCNCc2ccc3c(c2)OCO3)Cc2ccccc2)CCO1 4029664 JYERWXVLRXXYAJ-XZOQPEGZSA-N 409.570 5.349 0 40 HKAB biogenic COc1cc(Br)cc2cc(C(=O)c3ccc(Br)cc3)oc12 4060916 IPKYZJARLJYTCH-UHFFFAOYSA-N 410.061 5.197 0 40 HKAB Clc1cccc(NCc2nnc(SCc3ccc(Cl)cc3Cl)o2)c1 4953186 XQWNZDOKEOWJGW-UHFFFAOYSA-N 400.718 5.934 0 40 HKAB COc1ccccc1CNc1cc(-c2ccccc2)nc2cc(-c3cccc(C)c3)nn12 4980527 FYOTVOJSWNXCDH-UHFFFAOYSA-N 420.516 5.992 0 40 HKAB CCOc1cccc2sc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)nc12 5115629 VRDIOSMTCFLAIU-UHFFFAOYSA-N 419.550 5.057 0 40 HKAB COc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(C)cc3)=NN21 5164414 RLMIZMYMVOPERF-ZJSXRUAMSA-N 404.897 5.899 0 40 HKAB COc1ccc(-c2c(NC(=O)Cc3cccs3)sc3ccccc3c2=O)cc1 5323313 HKDIMQFWXLNEBZ-UHFFFAOYSA-N 407.516 5.180 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1nc2c(Cl)c(Cl)ccc2s1 6495351 DNPZAXYZNVVQOC-UHFFFAOYSA-N 403.743 5.987 0 40 HKAB CC(C)c1ccc(-c2noc(COC(=O)c3csc(-c4ccccc4)n3)n2)cc1 6607357 XIAAOMUUMWTENO-UHFFFAOYSA-N 405.479 5.341 0 40 HKAB CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 6615588 CTUQOUHLVLUVFS-UHFFFAOYSA-N 400.547 5.976 0 40 HKAB O=C(COC(=O)c1cc(Cl)ccc1Cl)NC(c1ccccc1)c1ccccc1 6788755 WAOIRFYGRNVXBE-UHFFFAOYSA-N 414.288 5.056 0 40 HKAB Cc1cc(C)c(NC(=O)CN(C)CCOC(c2ccccc2)c2ccccc2)c(C)c1 8852784 BJMGMLGYJRVZPX-UHFFFAOYSA-N 416.565 5.288 0 40 HKAB O=C(Nc1ccc(F)cc1F)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O 8925765 CMELRVPCKYUMMW-UHFFFAOYSA-N 424.234 5.126 0 40 HKAB Cc1cccc(COc2ccc(/C=C3\N=C(c4cccc(Cl)c4)OC3=O)cc2)c1 9510861 IEQWHRWTZLYRGN-XKZIYDEJSA-N 403.865 5.572 0 40 HKAB O=C(Nc1ccccc1Cc1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1 10275798 LXXNHIRYVIHVOM-UHFFFAOYSA-N 413.521 5.160 0 40 HKAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)Nc3ccc(OC(F)F)cc3)c12 11248325 XFJISQMCYRNACI-UHFFFAOYSA-N 413.355 5.191 0 40 HKAB COCCNc1oc2c(c1-c1ccc(Br)cc1)c(=O)oc1ccccc12 11614791 PMWWDSGIVAUCER-UHFFFAOYSA-N 414.255 5.027 0 40 HKAB COc1ccc(-c2c(C)c3cc(OC(=O)c4cccs4)ccc3oc2=O)cc1OC 11866207 NPFYKOJGPBHKIL-UHFFFAOYSA-N 422.458 5.066 0 40 HKAB biogenic Cc1cccc(O[C@H](C)C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1C 11914516 GDONXWLWYRSGRL-QGZVFWFLSA-N 402.519 5.986 0 40 HKAB CC(=O)c1cccc(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c1 12529720 ILRQGTMHNXYKDL-UHFFFAOYSA-N 401.491 5.310 0 40 HKAB Cc1oc(C)c(C(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)c1C 12788101 MNWDOXFMFNSDRI-UHFFFAOYSA-N 402.538 5.398 0 40 HKAB Cc1cc2nc(-c3ccc(SCC(=O)c4ccc(Cl)cc4)nc3)[nH]c2cc1C 13086540 CVIKKANRPAHMQF-UHFFFAOYSA-N 407.926 5.870 0 40 HKAB Cc1cccc(Oc2ccccc2NC(=O)COc2ccc(Nc3ccccc3)cc2)c1 13133781 PTZUSXJIQNQGER-UHFFFAOYSA-N 424.500 6.548 0 40 HKAB Cc1cc(C)c(N2C(=O)[C@H]3[C@@H](c4ccccc4)C=C[C@@H](c4ccccc4)[C@H]3C2=O)c(C)c1 13577154 DFQXSXPRPJMBGK-FATVKVNYSA-N 421.540 5.855 0 40 HKAB biogenic Cc1ccc(CSCCNC(=O)N2c3ccccc3Sc3ccccc32)cc1 13717102 QBJCOYOLSTXYRB-UHFFFAOYSA-N 406.576 6.241 0 40 HKAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc(C)c4)=NN23)cc1OC 13776930 LLRGKPJWNBLBNQ-BWKNWUBXSA-N 400.478 5.255 0 40 HKAB Cn1c(COc2ccccc2Cl)nnc1SCc1ccc(Cl)c(Cl)c1 13841743 MKPWGVXIWVYPHW-UHFFFAOYSA-N 414.745 5.647 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)CC1(CC(=O)N2CCOCC2)CCCC1 14199990 AJCCATLTDHTCHR-UHFFFAOYSA-N 414.590 5.071 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CCCOc3ccc(Cl)cc3)ccc21 14399448 ZZRRXTLOEPKYRA-UHFFFAOYSA-N 406.913 6.266 0 40 HKAB CC(C)Sc1cccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1 15880255 AEOPADFDPZJRGE-UHFFFAOYSA-N 423.607 5.454 0 40 HKAB CCc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 15881134 BBGKPEWTIZPBCV-UHFFFAOYSA-N 401.506 5.794 0 40 HKAB CCOc1ccc(-c2cc(C(=O)OCC(=O)c3cccs3)c3ccccc3n2)cc1 16691926 JCFJNQDANDWXFK-UHFFFAOYSA-N 417.486 5.402 0 40 HKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Br)cc1F 17083330 JFCOMCRENFUGMO-UHFFFAOYSA-N 406.295 5.653 0 40 HKAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)nc2c1 17088555 ZDSAWCZDFRWLOY-NTEUORMPSA-N 410.517 6.887 0 40 HKAB Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)nc1-c1ccc(Cl)cc1Cl 17088779 LUZPWWQCBNURSF-NEPJUHHUSA-N 411.310 5.031 0 40 HKAB O=C(Nc1ccccc1OCc1ccccn1)c1cnc(-c2ccc(Cl)cc2)nc1 19661942 SMIQLLBNLYSVRQ-UHFFFAOYSA-N 416.868 5.023 0 40 HKAB CCc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccccc3)c2c1 20382358 BCYKFYZIUFBOME-UHFFFAOYSA-N 416.546 5.551 0 40 HKAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN([C@H](C)c1ccccc1)C3 20610416 WTUMZCGJCYKZPO-LJQANCHMSA-N 411.501 5.605 0 40 HKAB biogenic c1ccc(SCc2nc(NCc3nccs3)c3c4c(sc3n2)CCC4)cc1 32935562 LDDIPENLYQCVPO-UHFFFAOYSA-N 410.593 5.541 0 40 HKAB Cc1cccc(NC(=O)COc2ccccc2-c2noc(-c3cccc(Cl)c3)n2)c1 33324990 GMVHUGQPMKZVEG-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB Cc1ccc(-c2csc3ncnc(NCc4cccc(N5CCOC5=O)c4)c23)cc1 40149273 KWGKUJZUPQEJDK-UHFFFAOYSA-N 416.506 5.235 0 40 HKAB Clc1cccc(-n2nnnc2[C@H](c2ccc(Cl)cc2Cl)N2CCCCC2)c1 55190505 JYRMPEYOZLYMJZ-SFHVURJKSA-N 422.747 5.198 0 40 HKAB CC(C)(C)c1ccc(CNC(=O)[C@@H](c2ccccc2)c2cc(Cl)ccc2O)cc1 59483638 CSBSJUFKPUHYJF-QHCPKHFHSA-N 407.941 5.791 0 40 HKAB CCC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cc2ccc(OC)cc2nc1Cl 69382962 WAQOBZMIDIRXOK-HXUWFJFHSA-N 411.864 5.124 0 40 HKAB Cc1cc(Br)ccc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 71761666 SOSOWAONIKMCLV-UHFFFAOYSA-N 405.239 5.465 0 40 HKAB CC(C)CN1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215746 CBWFRCUHRYGKHK-NRFANRHFSA-N 401.595 5.949 0 40 HKAB Cc1nnc(SCc2c(C(=O)Nc3ccc(O)c(C)c3)oc3ccccc23)s1 95430588 QCSQHTDIUKLYDV-UHFFFAOYSA-N 411.508 5.151 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1Cc1nc(C2CC2)no1 96119611 IVLBYDOUOFXNKU-UHFFFAOYSA-N 402.376 5.201 0 40 HKAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(Cl)cc1C(=O)c1ccccc1 96586355 UGLQKCKORWQGFS-UHFFFAOYSA-N 419.908 5.467 0 40 HKAB Clc1ccc(-c2ccc(-c3csc(/C=C/Nc4ccccc4)n3)o2)c(Cl)c1 100393006 HWLLFQBDTTWPIO-ZHACJKMWSA-N 413.329 7.460 0 40 HKAB COc1ccccc1[C@@]1(CCN(C(C)=O)[C@H](C)c2ccccc2)CCO[C@H](C(C)C)C1 102813128 BLORJSGUUHAICH-AIGMYPEUSA-N 423.597 5.768 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cnc(-c2ccc(Cl)cc2)nc1 222605238 ZGLJBKVJKALHAB-UHFFFAOYSA-N 412.198 5.722 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2cccc3ccccc23)cc1C(C)C 223331951 DAMKEWVBYNFXSR-RBUKOAKNSA-N 405.538 5.925 0 40 HKAB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2cc(C)ccc2C)c1 223675887 BZCOCWGTHYYGLJ-UHFFFAOYSA-N 417.914 5.559 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 223730117 MGMOBBVBSSESQR-LJQANCHMSA-N 403.507 5.463 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 224199937 MGSXXCLDKIUBAU-PKTZIBPZSA-N 404.583 5.566 0 40 HKAB Cc1ccc2oc(=O)c(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2c1 226037696 CEAJVOWLUUEVST-UHFFFAOYSA-N 417.848 5.238 0 40 HKAB O=C(Nc1cccc(Cl)c1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408620235 LELUBQVYVJTXQA-UHFFFAOYSA-N 409.272 5.735 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccc(Cl)cc2)c1 408694279 IHJHQECKSYTKOT-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C1S/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1c1ccccc1 408812475 MZRRXWNICPWPNI-STZFKDTASA-N 405.450 5.646 0 40 HKAB COc1ccc2c(Cl)c(C(=O)Nc3cc(Cl)ccc3C)sc2c1Cl 408972068 PPFAPANUDWDRRB-UHFFFAOYSA-N 400.714 6.431 0 40 HKAB CCCCCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OCC 408991130 ZEPPAWMVGXLPDP-HMMYKYKNSA-N 409.482 5.007 0 40 HKAB Cc1s/c(=N\C(=O)C(c2ccccc2)c2ccccc2)n(C)c1-c1ccc(F)cc1 409201007 MYKCEOXSBDELIF-RFBIWTDZSA-N 416.521 5.461 0 40 HKAB Fc1cccc(COc2ccc(CNc3ccc(Br)cc3)cc2Cl)c1 409205243 APSKKHQAXHOAQP-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB CCCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(COc2cccc(C)c2)n1 585265833 SDOPWJXORCJAHN-UHFFFAOYSA-N 411.885 5.776 0 40 HKAB C[C@@H]1CCCC=C1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1cccnc1 1347683 MGMZECRYMHKNCF-WZONZLPQSA-N 421.541 5.011 0 40 HKAB Cc1cccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1 1365832 SOZGPDRWBRELHC-GOSISDBHSA-N 424.488 5.142 0 40 HKAB aggregator COc1ccc(C(=O)CSc2nc(C3CC3)nc3sc4c(c23)CC[C@@H](C)C4)cc1 1377265 OAKCXGSNOOJLMX-CYBMUJFWSA-N 424.591 5.677 0 40 HKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)cc1 1380180 DMSMYXRBZUNEDM-QHCPKHFHSA-N 420.484 5.174 0 40 HKAB O=C(Oc1ccc(OC(=O)c2ccccc2)c(C2CCCCCC2)c1)c1ccccc1 1654165 IMKDPTHVNCTVIE-UHFFFAOYSA-N 414.501 6.563 0 40 HKAB COc1ccc([C@H](C)NCC[C@@H](c2ccccc2)c2ccc(OC(C)C)cc2)cc1 1826505 BQZCDFZRTSMLBA-IDISGSTGSA-N 403.566 6.355 0 40 HKAB biogenic CCc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3ccc(F)cc3)c3ccccc32)cc1 2059718 ITBRMXBMLQJRML-MHZLTWQESA-N 401.525 6.523 0 40 HKAB Cc1nc2[nH]c(SCc3c(Cl)cccc3Cl)nc2cc1Br 2452753 BZKPYZCPYVVBND-UHFFFAOYSA-N 403.132 5.628 0 40 HKAB CCc1ccc(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1 2594814 NCMRKUPPRFIMGZ-UHFFFAOYSA-N 422.248 7.234 0 40 HKAB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N3CCCC3)c2c1C 2623985 HSDCIZJXCPHGFR-UHFFFAOYSA-N 413.568 5.069 0 40 HKAB COc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(OC)ccc32)cc1 2690639 SJZSPAUQLSTGMY-UHFFFAOYSA-N 413.452 5.408 0 40 HKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1csc(-c2ccncc2)n1 3108073 WUDPHORBDKWPIA-UHFFFAOYSA-N 417.334 5.495 0 40 HKAB O=C(/C=C/c1cccs1)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 4273201 VDRAODAWSBOKDN-SOFGYWHQSA-N 411.939 5.653 0 40 HKAB C[C@@H](NC(=O)c1cc2cc(Oc3ccc4c(c3)OCO4)ccc2[nH]1)c1ccccc1 4696030 MWHIOEKVYWUOHB-OAHLLOKOSA-N 400.434 5.180 0 40 HKAB CCCCCCNc1nc(NCCCCCC)c2nc(NCCCCCC)[nH]c2n1 4806113 DXKYFAHADZYZQP-UHFFFAOYSA-N 417.646 6.330 0 40 HKAB Cc1ccc(-c2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@@H]4c2ccccc2)cc1 5180561 ZQYRKRAQBHABIR-NRFANRHFSA-N 406.445 5.091 0 40 HKAB Cc1nn2c(-n3cnc4ccccc43)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 5268316 WZUIPUYERKXGIG-UHFFFAOYSA-N 415.928 5.995 0 40 HKAB Cc1cccc2cc3c(NC(=O)c4ccc(C(C)(C)C)cc4)nn(CC(C)C)c3nc12 5478577 ZFDGBHFJNLSENM-UHFFFAOYSA-N 414.553 6.099 0 40 HKAB COc1ccc(Cl)cc1N=[P@](c1ccncc1)(N1CCCCCC1)C(C)(C)C 5496426 SMISLRVTJDASHI-MUUNZHRXSA-N 419.937 6.491 0 40 HKAB COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1NC(=O)c1ccc(Cl)cc1 6170662 YNRCESMIAKDVMJ-UHFFFAOYSA-N 415.276 5.507 0 40 HKAB CCCCOc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(OCC)cc32)cc1 6480970 UOJADSHAXMYWIV-UHFFFAOYSA-N 414.509 5.093 0 40 HKAB CC(C)(C)c1ccc(-c2nn3c(-c4cc(-c5ccccc5)n[nH]4)nnc3s2)cc1 6785941 OUCHCEYJKVXEHH-UHFFFAOYSA-N 400.511 5.207 0 40 HKAB CCSc1ncc(Cl)c(C(=O)N(Cc2ccccc2)c2ccc(OC)cc2)n1 6810495 QGBAZSORNFOYNL-UHFFFAOYSA-N 413.930 5.098 0 40 HKAB CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 7112413 SBCFGMGGHJBFIG-FQEVSTJZSA-N 424.545 5.121 0 40 HKAB O=c1[nH]c(CN2CC[C@@H]3CCCC[C@@H]3C2)nc2scc(-c3ccccc3Cl)c12 7328140 DGNAVYCUSZQRHE-LSDHHAIUSA-N 413.974 5.317 0 40 HKAB CCOCCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 8253124 GRXCMZJMXXQUCZ-UHFFFAOYSA-N 418.364 6.242 0 40 HKAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1cccc(Oc2ccccc2)c1 8402001 YBHLBZBJYVIXPI-UHFFFAOYSA-N 417.896 5.938 0 40 HKAB O=C(Nc1nnc(-c2ccccc2)s1)c1sc2cc(Cl)ccc2c1Cl 9062212 PMANWXOHGLFXFG-UHFFFAOYSA-N 406.319 5.979 0 40 HKAB COc1ccc(Nc2nc(Nc3ccc(C)cc3C)c3nccnc3n2)cc1Cl 9074876 PORFCYFIYTYSEN-UHFFFAOYSA-N 406.877 5.186 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9235076 HLWSERMIFQCCSJ-SNVBAGLBSA-N 417.214 5.004 0 40 HKAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cc(Cl)nc2ccccc12 9245057 JNPDKOOFXKWUEO-UHFFFAOYSA-N 423.881 5.035 0 40 HKAB Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1cccc(Cl)c1 9403997 PVDRTSDZOZGXMD-UHFFFAOYSA-N 415.927 5.121 0 40 HKAB CC(C)COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 9594783 DJNDMLILBBVZAJ-UHFFFAOYSA-N 421.884 5.830 0 40 HKAB O=C(Nc1ccccc1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1)c1ccco1 9614000 FHVFWOTWNHGYFM-QHCPKHFHSA-N 410.473 5.246 0 40 HKAB CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(Cl)cc1Cl)O[C@H](C)C2 12562874 IOBVZOROVSCBLF-VXGBXAGGSA-N 409.313 5.155 0 40 HKAB CC(C)Cn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccccc1F 12886921 LVCZKOXLWGSJFC-UHFFFAOYSA-N 416.497 5.000 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc(-c2cccc(Br)c2)nc1C 12895872 HAWZBYPNKURCQF-UHFFFAOYSA-N 411.299 5.471 0 40 HKAB CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(F)c(Cl)c1)C(C)(C)N2 13562044 SLWUWPDHWJUQAA-NMWGTECJSA-N 420.962 6.561 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 14007062 IPPYBCUQZSIUNI-SJORKVTESA-N 422.912 5.237 0 40 HKAB Cc1ccc2oc(C(=O)N3CCC[C@H]3c3nnc(-c4nccc5ccccc45)o3)cc2c1 19221309 XBNILTSKOMIPND-IBGZPJMESA-N 424.460 5.317 0 40 HKAB Cc1ccc2cccc(NC(=O)c3cc(I)ccc3Cl)c2n1 21595566 CXZANIXDWUFHSY-UHFFFAOYSA-N 422.653 5.054 0 40 HKAB Cc1cc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)ccc1C(C)C 25777346 ALPNRCHCOCRORB-UHFFFAOYSA-N 423.582 5.236 0 40 HKAB CCCOc1ccc(-c2cc(C(F)(F)F)c3c(n2)sc2c(O)cc(=O)[nH]c23)cc1 26779567 FUZUVVSUFPDFDT-UHFFFAOYSA-N 420.412 5.318 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1cccs1 32116625 DKZTVUKXISPNBJ-UHFFFAOYSA-N 415.268 5.277 0 40 HKAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(CN2CCC[C@@H](C)C2)cc1 32931174 SYQFZDZIZSHSHJ-GOSISDBHSA-N 403.526 5.063 0 40 HKAB CC[C@H]1CCc2c(c(-c3ccc(F)cc3)nc3c(-c4ccc(Cl)cc4)c(C)nn23)C1 35325642 FKYQAJWILBBXQX-INIZCTEOSA-N 419.931 6.679 0 40 HKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1c(F)cccc1Cl 44900037 WMBUIAAKYOMETE-IBGZPJMESA-N 409.954 5.303 0 40 HKAB COc1cc(C(=O)N(C2CC2)[C@@H](C)c2cccc3ccccc23)cc(OC)c1OC 58129137 NJMXUSBFPXRHQU-INIZCTEOSA-N 405.494 5.231 0 40 HKAB CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1cccc2ccccc12 59433485 NECBBAABTKNPIP-UHFFFAOYSA-N 419.590 6.225 0 40 HKAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1ccc(O)cc1)C2=O 66088170 VIPVHSDORHWFBR-JOCHJYFZSA-N 415.880 5.290 0 40 HKAB CCOc1ccc2nc(Cl)c([C@H]3CC(c4ccc(F)cc4)=NN3C(C)=O)cc2c1 69351890 MOEZKQLDFNNNGW-OAQYLSRUSA-N 411.864 5.124 0 40 HKAB Clc1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1Cl 72333543 JTFGXLPAWJMZQJ-UHFFFAOYSA-N 405.354 5.627 0 40 HKAB CC(C)(C)C(=O)OCC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 83261764 VVOIQBFMTVCINR-PAASFTFBSA-N 414.586 5.293 0 40 HKAB biogenic CCC1(CNC(=O)C2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)CCCCC1 95940988 OLZWEXQPGXIROI-UHFFFAOYSA-N 424.507 5.034 0 40 HKAB Cc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5cccc(F)c5)cn34)n2)cc1C 96038124 LEJHUOUHNCCUTJ-UHFFFAOYSA-N 424.479 5.800 0 40 HKAB CCOc1ccc2c(c1)s/c(=N/C(=O)c1ccc(Oc3ccccc3)cc1)n2C 100814212 NELJWOSVWNDUCX-WCWDXBQESA-N 404.491 5.172 0 40 HKAB O=C1[C@@H]2C=CC=C[C@@H]2N=C(SCc2cccc3ccccc23)N1Cc1ccccc1 103672122 IAWGRQUAYAPHRS-RPWUZVMVSA-N 410.542 5.582 0 40 HKAB CCCCCC[C@H](O)C/C=C\CCCCCC/C(C(=O)OC)=C(\O)C(=O)OCC 104284030 UHLSVUAQNIGZDA-OVKFFJRASA-N 412.567 5.153 0 40 HKAB O=C1S/C(=C\c2c[nH]c3ccccc23)C(=O)N1Cc1ccc(Br)cc1 106724458 JDCXBFZKLCDFCS-MFOYZWKCSA-N 413.296 5.167 0 40 HKAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222759570 KPMSJYAXKWNNPU-QZTJIDSGSA-N 404.322 5.251 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)N1c2ccccc2Sc2ccccc21 224316832 NQYYRSMLKGXSHT-UHFFFAOYSA-N 408.482 7.421 0 40 HKAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1C(C)C 225440413 JVOLVFOHMJYCSX-SFHVURJKSA-N 403.588 5.162 0 40 HKAB CCCCOc1c(C)cc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)cc1C 225743302 FJWIMZPPMYGDNP-UHFFFAOYSA-N 405.623 6.678 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2ccccc12 225775521 NETRTQHNXNKOHP-UHFFFAOYSA-N 421.512 5.845 0 40 HKAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1cccc2ccccc12 225818681 XOAKAMMHTOGGGK-UHFFFAOYSA-N 422.282 5.224 0 40 HKAB S=C(Nc1ccc2c(c1)OCCO2)NC1(CCc2ccc(Cl)cc2)CCCC1 225858048 ULLZOYZAXOGUTN-UHFFFAOYSA-N 416.974 5.343 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)NC2(c3cccc(C)c3)CCCC2)c1 225861771 CTWRCXBYNNDGOC-UHFFFAOYSA-N 402.947 5.191 0 40 HKAB O=C(O)c1ccc2nc(-c3ccc(OCc4ccc(Br)cc4)cc3)[nH]c2c1 256028146 VXCBBVSCALSJQX-UHFFFAOYSA-N 423.266 5.270 0 40 HKAB CCC(=O)N[C@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(C(F)(F)F)cc2)C1 257231259 GFYQBFSLSMRIFG-DYXWJJEUSA-N 409.423 5.722 0 40 HKAB Cc1ncsc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257270828 MVVCLLXYIITRNS-QGZVFWFLSA-N 401.919 5.051 0 40 HKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2cccc(Cl)c2)C1 257339532 ZCCZWQDXCUNQMG-VTYHHJSWSA-N 422.352 5.498 0 40 HKAB CCCc1s/c(=N\C(=O)c2ccco2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408560150 CFRWURMEDGTJQP-QOCHGBHMSA-N 409.338 5.830 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2Cl)cc1 408675123 GOYUUHSQGBUZDU-UHFFFAOYSA-N 404.853 5.090 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccc(C)c(C)c2)c1 408695509 QZWLTDDHZFAWNA-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB CCCc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1cc(OC)ccc1OC 408835373 YOXFXVSZFUTLGA-UHFFFAOYSA-N 416.930 5.686 0 40 HKAB Cc1cc(C)c(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(C)c1 408858080 JHLMMTPYCGDOFL-UHFFFAOYSA-N 409.338 6.173 0 40 HKAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409026243 JQPGJYNAXFEPJX-VIAIDJOKSA-N 405.607 6.415 0 40 HKAB CCCc1cc(=O)n2nc(-c3cccc(Br)c3)c(-c3ccccc3)c2[nH]1 409073862 IZVRZTWAXQNYGI-UHFFFAOYSA-N 408.299 5.072 0 40 HKAB CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O 409120504 WCOWQGKFPGTYBL-LICLKQGHSA-N 408.306 5.629 0 40 HKAB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccc(Cl)c1 409194731 LSURZAHRJPFHFR-BZZOAKBMSA-N 404.922 5.815 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)s1 670841345 JHQISDGVZWISRA-MRXNPFEDSA-N 421.971 5.137 0 40 HKAB CCOc1cccc(NC(=O)c2sc3nc(-c4cccc(OC)c4)ccc3c2N)c1 661223 GEJXYOBUTNVAHT-UHFFFAOYSA-N 419.506 5.205 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(NC(=O)C(F)(F)F)cc1 990249 GOXFIUZIDWKATP-UHFFFAOYSA-N 400.356 5.232 0 40 HKAB O=C1S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1 1011848 UHMOFVUAZMUJEP-QPEQYQDCSA-N 400.670 5.593 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cccc(OC(=S)Nc2ccc(F)cc2)c1 1421687 AILZDLGGAJSCHF-UHFFFAOYSA-N 400.862 5.507 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3cn4ccc(C)cc4n3)c2)c(C)c1 1423370 HJJBETYOMHTXEG-UHFFFAOYSA-N 405.523 5.036 0 40 HKAB O=C(Oc1cccc2cccnc12)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2073047 WOELJOXHJZRYJT-UHFFFAOYSA-N 410.860 6.323 0 40 HKAB Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12 2074005 UABBJCSIJRPYDB-UHFFFAOYSA-N 419.937 5.989 0 40 HKAB O=C(Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O)c1ccc(-c2ccccc2)cc1 2211419 LFHGLRAWHVHWQN-JOCHJYFZSA-N 419.484 5.309 0 40 HKAB Cn1c(SCc2ccc(Cl)c(Cl)c2)nc2sc3c(c2c1=O)CCCC3 2393652 RREUDRIRXRPAQL-UHFFFAOYSA-N 411.379 5.473 0 40 HKAB CCc1ccc2nc(NC(=O)c3cnc(SC)n3-c3ccc(F)cc3)sc2c1 2633343 LRJCTKPKDIFSRW-UHFFFAOYSA-N 412.515 5.158 0 40 HKAB COc1ccc2cc(-c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)c(=O)oc2c1 3037907 TZXHFURFWAFYIA-UHFFFAOYSA-N 414.848 5.732 0 40 HKAB Cc1cc2nnc(SCC(=O)Nc3ccc(C(C)(C)C)cc3)n2c2ccccc12 3319328 ZNCPHQPZXRDZMP-UHFFFAOYSA-N 404.539 5.219 0 40 HKAB O=C(COC(=O)c1ccccc1Oc1ccccc1)c1ccc2c(c1)-c1ccccc1C2 3332015 PDCJQTWJILPQLZ-UHFFFAOYSA-N 420.464 6.090 0 40 HKAB C[C@@H]1CCc2c(sc3ncnc(Sc4nnc5sc6ccccc6n45)c23)C1 3343117 OTFGOPKPHPQLAE-SNVBAGLBSA-N 409.565 5.225 0 40 HKAB CCCCCCn1nc(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2c1=O 3369248 PCAKURLJKMOEJW-UHFFFAOYSA-N 417.431 5.248 0 40 HKAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)c1ccc2c(c1)OCO2 3533714 CAKFOTUKKIYZAE-UHFFFAOYSA-N 406.488 5.062 0 40 HKAB CCOc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3ccccc3)c3ccc(C)cc32)cc1 3770944 HBIZCOIGTAQXEE-MUUNZHRXSA-N 413.561 6.529 0 40 HKAB Brc1cc(Br)c2nc(-c3ccc4c(c3)OCO4)ccc2c1 4051036 SWKBXSXDHKZHOJ-UHFFFAOYSA-N 407.061 5.156 0 40 HKAB Cc1cccc(NC(=S)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)c1 4059433 PGESWTWXYFTUGT-HXUWFJFHSA-N 416.377 5.905 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCC(C)CC2)o1 4424271 RJPRHORQMGYRJC-QZIMMCEPSA-N 415.331 5.800 0 40 HKAB CCc1ccc2oc(-c3cccc(NC(=O)c4c(OC)cccc4OC)c3)nc2c1 4554944 NKYWHFPKTXEYFL-UHFFFAOYSA-N 402.450 5.327 0 40 HKAB COc1ccc(C2=NN(C(=O)C34CC5CC(CC(C5)C3)C4)[C@@H](c3ccccc3)C2)cc1 4578250 WMGJQMDFKRWUON-GUMMOOENSA-N 414.549 5.589 0 40 HKAB Cc1cccc(-n2ncc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc32)c1 4658106 CDMKPNTWDSPXDU-UHFFFAOYSA-N 407.477 5.447 0 40 HKAB COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1ccc(F)cc1 4670915 OKUZMGPFGBTMFL-UHFFFAOYSA-N 404.485 5.227 0 40 HKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 4690199 RGLVPTPWQSBONL-UHFFFAOYSA-N 404.489 5.105 0 40 HKAB CCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)c(C)cc2nc1Cl 4880943 XRYCXWXNWCHUNP-UHFFFAOYSA-N 410.901 5.173 0 40 HKAB Brc1ccc(-c2nn(-c3ccccc3)c3c2cnc2ccccc23)cc1 4970343 FCNYETAIWWCDOB-UHFFFAOYSA-N 400.279 6.003 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C(C)C)cc2)o1 5025950 QOIYWKCQFBKIPA-XUZZJYLKSA-N 406.913 6.607 0 40 HKAB COc1ccccc1Oc1c(C)n[nH]c1-c1ccc(OCc2ccccc2F)cc1O 5176997 JBRVCMVSKZZJDM-UHFFFAOYSA-N 420.440 5.610 0 40 HKAB Cc1cccc(C)c1NC1=NC(=S)N(c2cccc(C(F)(F)F)c2)C12CCCC2 5705426 MHRMHPZQTXPEAR-UHFFFAOYSA-N 417.500 6.251 0 40 HKAB O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1ccc(C2CCCCC2)cc1 6234961 HIYXMGVVDSMNMK-UHFFFAOYSA-N 406.551 5.521 0 40 HKAB CCc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2CC)cc1 6356243 IFXHIADYJLOKPN-UHFFFAOYSA-N 406.511 5.004 0 40 HKAB Cc1ccc(-c2ccc([C@@H]3N=C(O)c4c(sc5c4CC[C@@H](C)C5)N3)o2)cc1Cl 6449854 OWTFUNOLIXMXBY-BIBXISHDSA-N 412.942 6.524 0 40 HKAB CSc1nc2ccc(NC(=O)c3c(C)nn(-c4ccccc4)c3Cl)cc2s1 6586538 RXWUELPDAVJKOE-UHFFFAOYSA-N 414.943 5.418 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)s1 7392048 YOTUIVNLBCBVGX-UHFFFAOYSA-N 409.536 5.240 0 40 HKAB O=C(CCCSc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 7424354 QFRDZMVXJGVDCV-UHFFFAOYSA-N 405.498 5.880 0 40 HKAB CC1(C)Cc2cccc(OCC(=O)N3CCCC[C@@H]3c3nc4ccccc4s3)c2O1 8076257 URWLNSQVMZWWLR-GOSISDBHSA-N 422.550 5.142 0 40 HKAB CC[C@H](C)NCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 8326638 WROFIIVHURFSRP-ZDUSSCGKSA-N 412.755 5.578 0 40 HKAB O=C(CCCC(=O)OCc1ccc(Cl)cc1)Nc1ccc2c(c1)oc1ccccc12 9581460 JAGHHEIHQXXLLD-UHFFFAOYSA-N 421.880 6.092 0 40 HKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)N[C@H](c1ccccc1)C1CC1 9876540 NZNDUPBRUDMXNU-LJQANCHMSA-N 420.340 5.115 0 40 HKAB c1ccc(-c2nc3sccn3c2CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 12551841 IAIXWMINOGVFIM-LJQANCHMSA-N 417.534 5.171 0 40 HKAB CC[C@@H]1CCCCN1C(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 12844407 WISUXUPARUZWKV-CYBMUJFWSA-N 413.465 5.029 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1 13955155 ZTPFBDCIPZXRNL-UHFFFAOYSA-N 403.438 5.138 0 40 HKAB Cc1ccc(NC(=O)CCN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc23)cc1 13955644 FARURMWWZURRTM-RUZDIDTESA-N 409.489 5.050 0 40 HKAB CCc1nn2c(c1-c1ccc(OC)cc1)N=C(c1ccccc1C)C[C@@H]2c1ccccn1 14607624 RBSAWKKUSGIIOS-RUZDIDTESA-N 422.532 5.938 0 40 HKAB Cc1cccc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)c1C 17093069 KLGSUAJXHMAQMJ-UHFFFAOYSA-N 422.484 6.282 0 40 HKAB O=C(NCc1ccc2c(c1)OCO2)c1sc2cc(-c3ccccc3)ccc2c1Cl 20530429 XACUBIHHMOOUDQ-UHFFFAOYSA-N 421.905 5.880 0 40 HKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)CSc4ccccc4)cc3n2)cc1 20610576 OSFMDVTXKCZNOG-UHFFFAOYSA-N 402.523 5.275 0 40 HKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(O)c2)cc1 20970114 FCZGUKSREJCSKV-XMMPIXPASA-N 424.504 5.232 0 40 HKAB C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(F)cc1 22528822 MBIHFBVFEKJOLN-ZDUSSCGKSA-N 408.311 5.142 0 40 HKAB O=C(COc1ccc(Cl)cc1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 27746841 XTQWXTCWXRLCIY-NRFANRHFSA-N 404.897 5.148 0 40 HKAB O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccccc1Cl)c1ccccn1 28293742 FFOTZHOWHAVEDV-UHFFFAOYSA-N 424.287 5.890 0 40 HKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 32647235 GISRJGORJJCOKW-UHFFFAOYSA-N 423.862 6.317 0 40 HKAB Cc1ccccc1C(=O)Nc1ccccc1NC(=O)Nc1ccccc1C(F)(F)F 36709649 KZOJXEBAYCSPDW-UHFFFAOYSA-N 413.399 5.910 0 40 HKAB Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccc(Cl)c(Cl)c3)o2)c1 59179718 ALYMCNNNHPMAPM-UHFFFAOYSA-N 423.365 6.680 0 40 HKAB O=C(CCc1nnc(-c2ccsc2)o1)N1CCC[C@@H]1Cc1cccc2ccccc12 70012907 NUPSGQCSENQOKM-HXUWFJFHSA-N 417.534 5.118 0 40 HKAB CC(=O)Nc1ccc(NC(=O)C(C)(C)Oc2ccc([C@@H]3CC3(Cl)Cl)cc2)cc1 72406458 JHIZISFZVDROAI-SFHVURJKSA-N 421.324 5.102 0 40 HKAB BrC1(Br)[C@H]2CC3=CC[C@@]21CCCCCCCCCCCC3 101037997 RJLWWTDGDILRQF-ROUUACIJSA-N 418.257 7.504 0 40 HKAB N=c1c2c(ncn1Cc1ccccc1)Oc1cc(O)ccc1[C@@H]2c1ccccc1Cl 101362652 HZAWMLFAFGMAEU-NRFANRHFSA-N 415.880 5.056 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1Cl 108945271 NBMMULAVPNDXGH-UHFFFAOYSA-N 422.381 5.419 0 40 HKAB CCOc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 118916207 SDDXAJAVPWQDGV-HXINVUJDSA-N 408.626 6.872 0 40 HKAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1CSc1ccccc1 224649533 LBDCPVIIWCKLPU-UHFFFAOYSA-N 411.954 5.961 0 40 HKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 224924222 HQBVWGNNVKPNLG-CQSZACIVSA-N 401.919 5.190 0 40 HKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225102538 BGHAHNOZLUBFIC-HNNXBMFYSA-N 408.310 5.308 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225164503 OZVZRSBILSNKPN-QGZVFWFLSA-N 420.987 5.807 0 40 HKAB O=C(Cc1ccccc1)N1CCS/C1=C/c1csc(Nc2ccc(F)cc2)n1 225253942 ZSGWQPYNROTRFD-DEDYPNTBSA-N 411.527 5.142 0 40 HKAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCS[C@H](c2cc(F)ccc2F)CC1 225743484 YLTCXSIXCUFICP-KRWDZBQOSA-N 417.399 5.184 0 40 HKAB COc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 227147668 SZRJEXYORQCRAQ-UHFFFAOYSA-N 411.672 5.750 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3cccc(Cl)c3)N21 260763038 IEIUJRUMXVYQIH-HBGVWJBISA-N 408.958 5.505 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc(Cl)c1OC 408620270 LLUBHSIMDWSOBH-UHFFFAOYSA-N 411.885 6.100 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Cl)cc2)cc1 408674954 FJWRELAAVUSSBR-UHFFFAOYSA-N 404.853 5.090 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=C(c3ccccc3)N2[C@H]1c1ccccc1OCC 408989024 JJUYMHTXOUMSMP-QFIPXVFZSA-N 420.534 5.381 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)NCCSCc1c(Cl)cccc1Cl 409025165 MXYAQUMSGWTHJR-RMKNXTFCSA-N 400.758 5.710 0 40 HKAB O=C1Nc2ccccc2S/C1=C\c1ccc(Sc2nc3ccccc3s2)o1 409100729 WHHXMHZGIBSWTC-BOPFTXTBSA-N 408.529 6.126 0 40 HKAB COc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 409115818 HPGOLGKYUNUOMS-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB O=C1S/C(=C/c2ccc(Br)s2)C(=O)N1CCCc1ccccc1 409145732 JCRAHKCPOUOHEF-SDNWHVSQSA-N 408.342 5.180 0 40 HKAB Fc1cccc(COc2ccc(CNc3ccc(Cl)cc3)cc2Br)c1 409176894 AEYGWVCCGXZGPF-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB CCCOC(=O)c1cc(NC(=O)CSc2ccc3ccccc3c2)ccc1Cl 409182331 KNFSINVVPJPOAE-UHFFFAOYSA-N 413.926 5.791 0 40 HKAB CC(C)C[C@H]1COc2ccccc2CNc2ccccc2CN1C(=O)CC1CCCC1 643582315 ROTJOICAFXRAAU-DEOSSOPVSA-N 420.597 6.015 0 40 HKAB C[C@H](N[S@](=O)C(C)(C)C)c1ccccc1P(C1CCCCC1)C1CCCCC1 1857795242 XYSPJOWKDNSCGF-HMILPKGGSA-N 421.631 6.572 0 40 HKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4F)c(N)c3cc2C1 661847 QGMQWHNUJYMCEX-SNVBAGLBSA-N 403.910 5.438 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1nc(-c2ccc(Br)cc2)cs1 822430 JFAPERWOTRBCEX-UHFFFAOYSA-N 408.708 5.870 0 40 HKAB CCCCSc1cc(Cc2cc(C)ccc2O)c(O)c(Cc2cc(C)ccc2O)c1 1558197 LKCFQIOQAIRPCA-UHFFFAOYSA-N 422.590 6.494 0 40 HKAB Cc1ccc2c(c1)N(C(=O)Cc1ccc(F)cc1)C(C)(C)c1ssc(=S)c1-2 1821516 STAJLPRLKITBSB-UHFFFAOYSA-N 415.580 6.478 0 40 HKAB CCCCc1ccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCCC5)C2)cc1 2160404 UKBQHAFAVYKAIV-UHFFFAOYSA-N 403.522 5.679 0 40 HKAB biogenic O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccccc1C(F)(F)F 2722791 UBMZTKJUXORQQF-UHFFFAOYSA-N 403.385 5.126 0 40 HKAB COc1cccc(C2=C[C@H](c3cccc(OC)c3OC)n3c(nc4ccccc43)N2)c1 2915924 PXOKJMGYJWLDRL-JOCHJYFZSA-N 413.477 5.118 0 40 HKAB O=C(N/C=C/n1cnc2cc(C(F)(F)F)ccc21)c1ccc(Cl)c(Cl)c1 3198756 WORJILWRZHWRFW-AATRIKPKSA-N 400.187 5.220 0 40 HKAB O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)OCc1c(Cl)cccc1Cl 3249793 VFEJCFOBEVZLKI-UHFFFAOYSA-N 414.288 5.134 0 40 HKAB O=C(Nc1ccc2c(c1)OCCO2)c1sc(-c2ccccc2)nc1-c1ccccc1 3264068 WYUZZVQYTJQEGW-UHFFFAOYSA-N 414.486 5.501 0 40 HKAB COc1ccccc1/C=C/C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 3325467 PYHPFWHHEXXJCS-FMIVXFBMSA-N 404.432 5.356 0 40 HKAB Cc1cc(C)c(NC(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)c(Cl)c1 3332876 FVTJKWWLBFKDDZ-UHFFFAOYSA-N 422.095 5.108 0 40 HKAB O=C1Nc2ccc(Cl)cc2/C1=C/c1ccc(-c2ccc(Br)cc2)o1 3343152 LJNYIWPXVKJBBS-YBEGLDIGSA-N 400.659 5.855 0 40 HKAB Cc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 4281990 SPWYNCKZDQQITE-RXVVDRJESA-N 409.283 5.593 0 40 HKAB CC(C)(C)c1cc(C(C)(C)C)cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 4662677 ZNCKIVKHBLSMIV-UHFFFAOYSA-N 413.505 6.101 0 40 HKAB CCOc1ccc(-c2cnc(NCc3ccc(Cl)cc3Cl)n2CCOC)cc1 4679100 RHBSJAWIMZVIKV-UHFFFAOYSA-N 420.340 5.514 0 40 HKAB Cc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccccc2)cc1Cl 4937739 JCLRJUSJSMETBZ-GYHWCHFESA-N 409.894 5.460 0 40 HKAB COc1ccc(Oc2c(C)n[nH]c2-c2ccc(OCc3ccccc3)cc2O)cc1 5164267 ANAXXZLVTNTMKS-UHFFFAOYSA-N 402.450 5.471 0 40 HKAB Cc1cccc(Nc2nc(Nc3cccc(C)c3)c3c4c(sc3n2)CCCC4)c1 5337809 SQWFHRBKSAAJQC-UHFFFAOYSA-N 400.551 6.674 0 40 HKAB CN(C)C1(CNC(=O)c2cc3nc(Nc4ccccc4)sc3s2)CCCCC1 5688532 XOLNPUGLAAYPKB-UHFFFAOYSA-N 414.600 5.096 0 40 HKAB c1ccc(-c2ccc(C3=NN4[C@@H](C3)c3ccccc3O[C@@H]4c3ccccc3)cc2)cc1 5738491 ZKWOQNSONQFTAY-XTEPFMGCSA-N 402.497 6.596 0 40 HKAB O=C(Nc1ccc(F)cc1F)Nc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 5955512 NJOADSWQRUHQLW-UHFFFAOYSA-N 408.383 5.601 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc(-c2ccccc2)cs1 5981751 WIJWGMFUAOHKOS-BQYQJAHWSA-N 405.306 5.777 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 6080378 IVPVSYSGKZFCTK-ZZQKJMNASA-N 413.517 5.852 0 40 HKAB Cc1cc(SCC(=O)c2c(C)[nH]c3ccccc23)n2c(nc3ccccc32)c1C#N 6315028 RMTZIPZRNAVCHO-UHFFFAOYSA-N 410.502 5.432 0 40 HKAB COc1ccc([C@H]2CC(c3cccc(NC(C)=O)c3)=Nc3ccccc3S2)cc1 6363473 CIDGYWPMJQCILC-XMMPIXPASA-N 402.519 6.012 0 40 HKAB Cc1cc(C)cc(OCc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)c1 6651959 NEUCWDBVWLWWDV-UHFFFAOYSA-N 410.439 6.299 0 40 HKAB CCOC(=O)c1sc2cccc(F)c2c1CSc1nncn1-c1ccccc1 6831177 RXTWUSLKDLFYCT-UHFFFAOYSA-N 413.499 5.090 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(F)cc2C)ccc1OCCOc1ccccc1 6834175 OBOAHJVLFYXFQP-UHFFFAOYSA-N 409.457 5.243 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)OCc1cc(Cl)c2c(c1)OCCCO2 6881167 CJDTUOSRQKKSNW-UHFFFAOYSA-N 422.908 5.767 0 40 HKAB C#CCOc1ccc2ccccc2c1/C=C(\Sc1nc2ccccc2o1)C(=O)O 7603140 CHNHPERCXOPVOV-STZFKDTASA-N 401.443 5.211 0 40 HKAB O=C(C(=O)N1CCc2ccccc2C1)c1c(-c2ccc(Cl)cc2)cc2ccccn12 7604422 WIFRTWQGYUHLRS-UHFFFAOYSA-N 414.892 5.027 0 40 HKAB Cc1cccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2cccc(Cl)c2C)c1 8476657 IVXIMQLFXOTCKE-UHFFFAOYSA-N 408.933 5.267 0 40 HKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)(C)C)cc1 12401522 SSMZQOWWFBTUJK-IBGZPJMESA-N 420.597 5.953 0 40 HKAB CCOC(=O)CS/C(=C\C=C\c1ccccc1)C(=O)Nc1ccc(Cl)cc1 12580318 CCKQTIUZIVHMHN-CAMSTOTOSA-N 401.915 5.172 0 40 HKAB O=C(Cc1ccc(Cl)cc1Cl)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 12632895 DAKIYSOXCKGKLN-NRFANRHFSA-N 424.331 5.512 0 40 HKAB O=C(c1ccc(F)cc1Br)N1CCC(c2nc3ccccc3s2)CC1 12988305 MERXGQDQVPQUFT-UHFFFAOYSA-N 419.319 5.218 0 40 HKAB O=C(CSc1cc(Cl)ccc1Cl)Nc1ccc2c(c1)nc1n2CCCCC1 13095603 PWJLZXMAIFWEIF-UHFFFAOYSA-N 420.365 5.800 0 40 HKAB C(=C1/c2ccccc2[C@@H]2[C@H]3c4ccccc4/C(=C\c4ccccc4)[C@H]3O[C@@H]12)\c1ccccc1 13402559 QTCLDESTKURNLW-NIDBGKFRSA-N 424.543 7.430 0 40 HKAB COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 13535267 HWOMHNHGKRJXDG-ZJSXRUAMSA-N 420.896 5.600 0 40 HKAB O=C(NCCCOC1CCCCC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 15177268 OSRLAGFBANNTRP-UHFFFAOYSA-N 420.962 5.123 0 40 HKAB CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(OC)cc4OC)c3)nc2c1 16162216 DZPRDHMTVLOYGF-UHFFFAOYSA-N 416.477 5.635 0 40 HKAB O=C(COc1ccccc1Cl)Nc1cccc(NC(=O)c2ccccc2Cl)c1 17090212 WAKWZNFQLQKGON-UHFFFAOYSA-N 415.276 5.263 0 40 HKAB Cc1ccc(N/C=C2/C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)c(C)c1 17951369 UZWIWVODPHIJAF-XMHGGMMESA-N 402.881 5.597 0 40 HKAB c1ccc(OCCOc2cccc(CNc3ccc(Oc4ccccc4)cc3)c2)cc1 19737698 LGRXZEMKFQFPGC-UHFFFAOYSA-N 411.501 6.549 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)CC(c2ccccc2)c2ccccc2)cc1 19931549 KSHXKQBCVSGCEB-AREMUKBSSA-N 401.550 6.121 0 40 HKAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1sc2cc(Cl)ccc2c1Cl 20139581 WLAUIVDDRJPCEV-UHFFFAOYSA-N 418.301 6.213 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1Cl 20142520 UDCTYXWRXKMCND-UHFFFAOYSA-N 409.052 5.259 0 40 HKAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 20462452 INLIWOQYZKOZPR-DFFJHKNISA-N 419.565 5.959 0 40 HKAB Clc1ccccc1-n1cc(-c2ccccc2)c2c(NCc3ccco3)ncnc21 21798091 ICSMDOVPVHVXPX-UHFFFAOYSA-N 400.869 5.946 0 40 HKAB COc1ccc(-c2nsc(NC(=O)c3sc4ccccc4c3Cl)n2)cc1 27793883 HSUUNSZVAAMUCC-UHFFFAOYSA-N 401.900 5.334 0 40 HKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 27917899 BHONPPAXEUVRGG-OAHLLOKOSA-N 402.947 5.085 0 40 HKAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 30943801 VAQCNEQIMOLVCA-KRWDZBQOSA-N 419.396 5.343 0 40 HKAB C[C@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(SC(F)F)cc1 32810725 VJEGIVVKZIFPDT-JTQLQIEISA-N 406.376 5.339 0 40 HKAB CCc1ccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)C(O)=NC2=S)cc1 33667481 VMVQQGKXEQBAPI-DEDYPNTBSA-N 417.534 5.456 0 40 HKAB COc1ccc(/C=C2/S/C(=N/c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc1 35644527 OLRNRCZSVPKLQN-OVCLIPMQSA-N 412.820 5.259 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(C)c2C)CC1 38772309 KWWRIZIPGBVZBJ-OAQYLSRUSA-N 402.991 5.176 0 40 HKAB CC1(C)Oc2ccc(Br)cc2[C@@H]2CC(c3cccc4ccccc34)=NN21 40486318 FPBUJUNZMGOZGI-FQEVSTJZSA-N 407.311 5.882 0 40 HKAB Cc1ncc(NC(=O)c2cccs2)n1-c1nc(-c2ccc(Cl)cc2)cs1 41124297 YKXDJBMVVCSEKG-UHFFFAOYSA-N 400.916 5.271 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875328 WGSDSGUAIQXHPI-VWLOTQADSA-N 416.565 5.300 0 40 HKAB CCOc1cc(C(=O)N[C@@H]2CCOc3ccccc32)cc(-c2ccccc2)c1OC 48265053 FDFAJSLPVMSRSK-OAQYLSRUSA-N 403.478 5.015 0 40 HKAB C[C@@H]1CCCN(c2ccc(NCc3cc4cc(C(C)(C)C)ccc4[nH]c3=O)cc2)C1 57712668 PMYBOPZPXAHQIR-GOSISDBHSA-N 403.570 5.674 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(F)cc2Cl)nc1 67294347 SAJGKNUSNRSXIW-ROMGYVFFSA-N 423.831 5.119 0 40 HKAB O=C(Nc1cc(-c2ccc(C(F)(F)F)cc2)no1)c1ncoc1-c1cccs1 72311541 MMNBSXPZDMQCOK-UHFFFAOYSA-N 405.357 5.329 0 40 HKAB COc1cccc(-c2nc(/C=C(/CCC(=O)O)c3nc4ccccc4s3)cs2)c1 82070756 HQDCKKRTTZPQJW-PTNGSMBKSA-N 422.531 5.834 0 40 HKAB CC(C)c1cnc(CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)o1 84630737 CXVBNUWLPRRACG-UHFFFAOYSA-N 408.068 5.208 0 40 HKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2ccc(N)cc2Cl)cs1 89643213 VGOIQEIOMUCLIW-UHFFFAOYSA-N 417.987 5.972 0 40 HKAB OC1C[C@@H]2CC[C@@H](C1)N2CCCN1c2ccccc2Sc2ccc(Cl)cc21 100133810 FVXMKGRYMOKOFX-IRXDYDNUSA-N 400.975 5.321 0 40 HKAB in-vitro Cc1ccc2c(c1)[C@@]1(c3ccccc3)Oc3ccc(C)cc3[C@](c3ccccc3)(O2)O1 104385888 LJBQBMRBBYRXMQ-HNRBIFIRSA-N 406.481 6.207 0 40 HKAB O=C1S/C(=C/c2cccc3ccccc23)C(=O)N1Cc1cc2c(cc1Cl)OCO2 215183723 UBTCODSHCLCGIZ-AWQFTUOYSA-N 423.877 5.458 0 40 HKAB C[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(C(C)(C)C)cc1 219768288 KCIBCVQZHWHERJ-GOSISDBHSA-N 421.968 6.708 0 40 HKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2C)o1 222895044 LNNMRQZUBUZCMF-RTWAWAEBSA-N 411.958 5.686 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1ccccc1C 224374501 ANBRAMWXZVAPGS-UHFFFAOYSA-N 405.494 5.624 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1cc(C)cc(C)c1 224531361 SGMSXKQFYMXKQO-UHFFFAOYSA-N 417.549 6.657 0 40 HKAB COc1ccc(Nc2nc(/C=C3/SCCN3C(=O)c3ccccc3C)cs2)cc1 225251290 AKFABFJHHYCZFU-DEDYPNTBSA-N 423.563 5.391 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccco2)N1c1ccc(OC2CCCC2)cc1 225360666 FSBJGYLBTCWQSP-YADHBBJMSA-N 405.523 5.173 0 40 HKAB COc1cc(C)c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1C(C)C 225660627 KHUIGBVRFDIWRV-UHFFFAOYSA-N 409.913 6.825 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 225749593 YAYBTPVYIVLTIO-XMMPIXPASA-N 404.595 5.255 0 40 HKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225823272 WGIAMBBKVQKPCR-UHFFFAOYSA-N 407.551 5.066 0 40 HKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225840803 AOFZNNHFDVVDNE-UZUQRXQVSA-N 407.551 5.211 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C(F)(F)F 225955204 OLLIKJBKHOKDHA-UHFFFAOYSA-N 421.459 5.427 0 40 HKAB Clc1cc(Br)c2[nH]c(Cc3ccc(Br)cc3)nc2c1 226342862 UHWWTFKFMCEKBL-UHFFFAOYSA-N 400.501 5.332 0 40 HKAB O=C(O)/C=C/c1ccc(CN2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cc1 257215781 CRPNYBSMDSKXAZ-RUCTVCJSSA-N 422.912 5.354 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408638413 CLMXPTCKVZYXEV-VIFPVBQESA-N 418.107 5.292 0 40 HKAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O 408640294 IPWIUEYXWFLTMJ-HNNXBMFYSA-N 405.325 5.110 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2cccc(C)c2C)nc1-c1ccc(Cl)cc1 408697760 JEXXVMQSYWFNLV-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408771008 CASXYGNWKXNMTL-VWLOTQADSA-N 416.546 5.276 0 40 HKAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 409080134 LUILPRBAJPVBCY-AQTBWJFISA-N 400.931 5.333 0 40 HKAB O=C(O)c1cccc(-n2cccc2/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1 409187739 BAAHBBZQDBXLDH-LDADJPATSA-N 424.865 5.070 0 40 HKAB Cc1c(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc2n1C 409355142 JFDOJNPFLMMLCN-JAIQZWGSSA-N 424.909 5.059 0 40 HKAB Cc1cc(C)c(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)c(C)c1 866616 AWMLJLFPSPKXQA-MSRUFZRRSA-N 407.513 5.183 0 40 HKAB O=C(c1ccccc1F)N(Cc1ccco1)c1nc(-c2ccc(Cl)cc2)cs1 932803 JQPHPLCIOYCUHW-UHFFFAOYSA-N 412.873 6.043 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3Cl)C3CCCC3)cc2c1 1327099 UCSXGKWEJCXISW-UHFFFAOYSA-N 423.944 5.721 0 40 HKAB CCC(=O)Nc1cc(NC(=O)CSc2nc3cc(C)ccc3cc2CC)ccc1C 1340037 WYZUPHSBVIPXKA-UHFFFAOYSA-N 421.566 5.493 0 40 HKAB CCOc1ccc(NC(=O)CSc2nc(C(C)C)nc3sc(C)c(C)c23)cc1 1340349 SFIDUMHPZLHEJI-UHFFFAOYSA-N 415.584 5.561 0 40 HKAB CCOC(=O)c1cc2c(nc1C)-c1cc(Cl)ccc1O[C@@H]2OCc1ccccc1 1612287 HPPHAEGUTUEYRC-QHCPKHFHSA-N 409.869 5.495 0 40 HKAB CCOC(=O)Cc1nc(Nc2ccc(F)c(Cl)c2)c2c3c(sc2n1)CCCC3 1626289 UZPDUMPJMNJNBF-UHFFFAOYSA-N 419.909 5.212 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CCCOc1ccccc1 1777669 SXSXDYNEYDGSAU-UHFFFAOYSA-N 409.507 5.390 0 40 HKAB CCc1ccc([C@@H]2N(c3ccc(C)cc3)N=C(C(C)=O)N2c2ccc(F)cc2)cc1 2177887 LQSJDRQUMXKDNL-VWLOTQADSA-N 401.485 5.624 0 40 HKAB COc1cc2c(cc1NC(=S)NC(=O)/C=C/c1cccs1)oc1ccccc12 2234484 XDJXFZPSQNNMLM-CMDGGOBGSA-N 408.504 5.183 0 40 HKAB Cc1cccc([C@@H](CC(=O)NCC2(c3ccccc3)CCCC2)c2ccccc2)c1O 2249812 JTZNJIRJPTVSPF-VWLOTQADSA-N 413.561 5.851 0 40 HKAB Cc1ccc(Cl)cc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc12 2292030 WGKLVMJNNUYTQY-UHFFFAOYSA-N 402.686 5.271 0 40 HKAB Clc1ccc(-c2cn3nc(-c4ccc(Cl)cc4Cl)n4c3c2CCCC4)cc1 2684444 XWLVTJPANYDKST-UHFFFAOYSA-N 416.739 6.766 0 40 HKAB CCCCc1ccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1 2887528 IHKOLRGCPQZRCM-UHFFFAOYSA-N 413.974 5.781 0 40 HKAB Cc1cc2nc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)oc2cc1C 3090543 YGQRGVAEZOHOFP-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl 3257297 ULFYQTOCOZFYDG-UHFFFAOYSA-N 414.716 5.241 0 40 HKAB COc1ccc(-c2nnc(S[C@H]3CCCCC3=O)n2C2CCCCC2)cc1OC 3292109 ZXWKUXPJJPMFNG-FQEVSTJZSA-N 415.559 5.071 0 40 HKAB COc1ccccc1/C=C/C(=O)O[C@H](C(=O)c1ccc(C)cc1)c1ccc(C)cc1 3313869 GLODDZSTOPGOFE-ZOGILVBSSA-N 400.474 5.493 0 40 HKAB Cc1cc2oc(=O)cc(Cn3cc(C(F)(F)F)cc(Cl)c3=O)c2cc1C(C)C 3440152 ORYXPBUZQWADMF-UHFFFAOYSA-N 411.807 5.107 0 40 HKAB Cc1cccc(O[C@@H](C)C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)c1C 3655504 VUEFDCLLNSSZMN-SFHVURJKSA-N 413.473 5.687 0 40 HKAB S=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 4088106 RNGRMDJQKGBOGT-IBGZPJMESA-N 402.350 5.597 0 40 HKAB O=C(C[C@@H](SCc1ccc(Cl)cc1)C(=O)O)c1ccc(Br)cc1 4118249 JZIBSIXNDLQNLM-MRXNPFEDSA-N 413.720 5.062 0 40 HKAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)cc1 4598834 CLGPGJGINXXHJX-RUZDIDTESA-N 404.941 6.867 0 40 HKAB CCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1C 4847993 CRRRQSSZVULSMZ-HSZRJFAPSA-N 412.599 5.028 0 40 HKAB Fc1ccc(-n2nc(-c3ccccc3)c3cnc4ccc(Cl)cc4c32)cc1Cl 4969913 SVNDELBBUXZQPP-UHFFFAOYSA-N 408.263 6.687 0 40 HKAB Cc1ccc(NC(=S)N(Cc2cc3ccc(C)c(C)c3nc2Cl)C2CC2)c(C)c1 4973515 SONPXTTZVQKNQL-UHFFFAOYSA-N 424.013 6.483 0 40 HKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccc(Br)cc2)o1 5144368 NDIYFONPEWRMIN-UHFFFAOYSA-N 400.316 5.408 0 40 HKAB aggregator Cc1cccc2[nH]c3c(N4CCN(c5ccc(Cl)c(Cl)c5)CC4)ncnc3c12 5215704 RUQBWLWGKHKPJX-UHFFFAOYSA-N 412.324 5.053 0 40 HKAB CCOc1ccc2[nH]c3nc(SCc4c(Cl)cccc4Cl)nnc3c2c1 5444682 ZUXFXWOPLCFEKS-UHFFFAOYSA-N 405.310 5.504 0 40 HKAB Cc1nn2c(N[C@H](C)c3ccccc3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 5574695 YBNJXUWIYWJXMI-MRXNPFEDSA-N 418.972 6.829 0 40 HKAB c1ccc(C(c2ccccc2)c2nonc2C(c2ccccc2)c2ccccc2)cc1 5871710 SYJQDVPSBVEIHO-UHFFFAOYSA-N 402.497 6.430 0 40 HKAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)OCCCO2 5936742 QIPVZWWBDMEVLP-UHFFFAOYSA-N 405.519 5.309 0 40 HKAB O=C(NCC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1 6472425 OZIHUDDSWWVFFC-UHFFFAOYSA-N 421.328 5.059 0 40 HKAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccc(OC(F)(F)F)cc1 6566650 MLXJNEFGUHQVDC-UHFFFAOYSA-N 400.328 5.239 0 40 HKAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCc3ccccc32)cc1 6609193 BGHGSHFNPSVJPO-UHFFFAOYSA-N 409.489 5.141 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1nc2cc(Cl)c(C)cc2s1 6826361 DULURZFXUOMBIM-UHFFFAOYSA-N 401.702 5.826 0 40 HKAB COc1cc(C(=O)Nc2nc3c(ccc4ccccc43)s2)ccc1OC(F)F 7670791 NFGZXHZYEDJMPP-UHFFFAOYSA-N 400.406 5.312 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc3n2CCCCC3)c2ccccc2)c1 8036502 UPKANFQBFXQDCU-NRFANRHFSA-N 406.555 5.093 0 40 HKAB Cc1cc(-c2csc(CC(=O)NCc3ccccc3)n2)c(C)n1Cc1ccccc1 8103388 PMOBZOGODPBSRT-UHFFFAOYSA-N 415.562 5.136 0 40 HKAB Cc1c(Cl)ccc2c(C(=O)Nc3cccc4ccccc34)cc(-c3ccccc3)nc12 8383672 FLAJKCAJBCKHGM-UHFFFAOYSA-N 422.915 7.269 0 40 HKAB CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CC(C)(C)SC2 8691071 GGGPNDHSHIOAGS-UHFFFAOYSA-N 406.598 5.302 0 40 HKAB CCOc1ccc(NC(=O)Cc2csc(SCc3ccc(F)cc3)n2)cc1 8854073 CBDSMBDLESZXQF-UHFFFAOYSA-N 402.516 5.154 0 40 HKAB Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3ccc(Cl)cc3)n2)c1 9303931 CZGJGHBMMORIPU-UHFFFAOYSA-N 404.322 5.636 0 40 HKAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccc(Cl)cc3)c2c1 9445952 YAVVBUBHJRSAPA-UHFFFAOYSA-N 421.327 7.023 0 40 HKAB O=C(CNc1ccc(F)c(Cl)c1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 9972229 MEBSBWXHNRGELX-UHFFFAOYSA-N 417.267 5.414 0 40 HKAB Cc1ccc(C)c(CSc2ccc(-c3sc(-c4cccs4)nc3C)nn2)c1 11025571 IOFZTIUJYBNGDR-UHFFFAOYSA-N 409.605 6.546 0 40 HKAB CC(C)n1c(SCC(=O)Nc2ccc(N3CCCCC3)cc2)nc2ccccc21 12551054 JEEJLUVKWXFAAL-UHFFFAOYSA-N 408.571 5.338 0 40 HKAB O=C(Nc1ccc(Br)cc1F)C1C[C@@H]2CC[C@H](C1)C21SCCS1 12790608 UQZSZVBJJXXLNI-YOGCLGLASA-N 416.381 5.139 0 40 HKAB CCOc1cc2c(cc1NC(=O)c1cc(Cl)c(OC(C)C)c(OC)c1)O[C@@H](C)C2 12975560 KPVNTTGIMOUGRT-ZDUSSCGKSA-N 419.905 5.110 0 40 HKAB C[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(C(C)(C)C)cc1 13675179 YFSYVRNETHKYMC-CYBMUJFWSA-N 400.371 5.472 0 40 HKAB COc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2C)c1 13786802 XNPPDQPHTWYUSF-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB COC(=O)c1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 14467412 IOWDPFGGZCNTNF-UHFFFAOYSA-N 418.474 5.159 0 40 HKAB CCc1cccc(C)c1NC(=O)COc1ccc(C(C)(C)C)cc1Br 14649640 AZQMSGYDSXIPKY-UHFFFAOYSA-N 404.348 5.635 0 40 HKAB O=C1C[C@@H](c2c(F)cccc2Cl)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15082271 UTSBTBBSMCVTKB-NSHDSACASA-N 401.846 5.380 0 40 HKAB O=C(Nc1ccc(Br)cc1F)c1sc2cccc(F)c2c1Cl 17082555 SJQAUFZOTPRBBT-UHFFFAOYSA-N 402.647 5.848 0 40 HKAB COc1ccc(Nc2ccc(NC(=S)Nc3ccc(C(F)(F)F)cc3)cc2)cc1 17091045 FULVJDVYYHDVQC-UHFFFAOYSA-N 417.456 6.267 0 40 HKAB Cc1nc(-c2cc(C)n(CC(=O)Nc3cc(Cl)c(N)c(Cl)c3)c2C)cs1 22529660 BUXIVEFVRLOIPO-UHFFFAOYSA-N 409.342 5.065 0 40 HKAB Cc1ccc([C@]2(C(F)(F)F)N=C(O)N3C(c4ccc(Cl)cc4)=CSC3=N2)cc1 28294014 RQMYTDWBGVWFNZ-SFHVURJKSA-N 423.847 5.695 0 40 HKAB CSc1ccccc1C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 30752260 CNQOCWHXEVBEGM-UHFFFAOYSA-N 403.547 6.189 0 40 HKAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 30757347 UMQCLGUFPFAZDS-UHFFFAOYSA-N 421.518 5.205 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(OCCSc2ccccc2)cc1 30871973 NWVVTGGOAOPONS-UHFFFAOYSA-N 418.345 6.417 0 40 HKAB COc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1 33735990 AQUDQIFCNOJYCB-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCc2sccc2[C@H]1c1cccs1 36626660 RFBKZGOROFHZIW-IBGZPJMESA-N 401.528 5.280 0 40 HKAB CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CCC(=Cc3cccc(F)c3)CC2)c1 48326241 MUNIXELYMNGHQF-UHFFFAOYSA-N 410.489 5.492 0 40 HKAB Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1CN(Cc1ccccc1)Cc1ccccc1 54219796 MCULONDEFPFYFQ-UHFFFAOYSA-N 416.952 6.001 0 40 HKAB O=C(CSc1nccn1-c1cccc(C(=O)Nc2ccccc2)c1)c1ccccc1 67206668 XIXMNHDGHIAYMO-UHFFFAOYSA-N 413.502 5.100 0 40 HKAB CN(C)c1cc(C(F)(F)F)cc(-c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)n1 91695131 HLMDIPNRWZNDQG-UHFFFAOYSA-N 419.834 5.739 0 40 HKAB COc1ccc([C@H]2c3c(ncn(CC(C)C)c3=N)Oc3ccc4ccccc4c32)cc1 101091061 FZRZDRDOZFMAPO-JOCHJYFZSA-N 411.505 5.466 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5cccnc5)nc4c3)o2)cc1C 107948767 MTEQPBJSKUXNQF-UHFFFAOYSA-N 409.445 6.019 0 40 HKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 223754646 ZWZBAPIFSHSGKT-GOTSBHOMSA-N 418.566 5.184 0 40 HKAB S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(Br)cn1 223913063 KZHJBBOGRBLPGG-UHFFFAOYSA-N 422.735 5.244 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)c1 224247128 XGGGOMUVSQZHKU-BJKOFHAPSA-N 411.530 5.827 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccc(OC)cc1 224600843 BVOWVBSWSPUSIR-UHFFFAOYSA-N 423.534 5.647 0 40 HKAB CSc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224927940 MTNVKSOQHLBAJN-UHFFFAOYSA-N 404.466 6.122 0 40 HKAB Cc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1N1CCCC1=O 225520132 LELOXNMWAFVSPH-UHFFFAOYSA-N 415.562 5.198 0 40 HKAB FC(F)(F)c1ccc(NC(=S)NCCCSCc2ccccc2Cl)cc1 225607081 ULHNUWRQQLYQGK-UHFFFAOYSA-N 418.937 5.969 0 40 HKAB O=C(NCc1cccnc1-c1ccsc1)c1cccc(OCc2ccccc2)c1 225646161 CEUFUILRBFQGLG-UHFFFAOYSA-N 400.503 5.319 0 40 HKAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225659405 CEQBJYPOAYQQTI-ZDUSSCGKSA-N 414.924 6.402 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225803732 YXFXSYRVJGQMSM-UHFFFAOYSA-N 409.795 5.289 0 40 HKAB CCCCn1nc(-c2cc(CC(=O)O)ccc2OC)cc1-c1ccccc1OCC 257269959 MSDOMRUFNZKKOT-UHFFFAOYSA-N 408.498 5.052 0 40 HKAB O=C(c1cc2ccccc2o1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257310420 UEZWHPDQSWDFQB-GOSISDBHSA-N 420.896 5.685 0 40 HKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2cccc(Br)c2)cc1 408581629 XZZRYUNATBIJLT-UHFFFAOYSA-N 401.329 5.696 0 40 HKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 408649341 XTIMMZZLFINEHG-MRXNPFEDSA-N 406.869 5.124 0 40 HKAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccc(Cl)c(Cl)c1 408714870 XYQSTICOXZXTPG-UHFFFAOYSA-N 418.324 5.613 0 40 HKAB Cc1ccc(C)c(-c2nc(Nc3cc(Cl)cc(Cl)c3)sc2CC(=O)O)c1 408889880 KJDDSMFFDXAUCU-UHFFFAOYSA-N 407.322 6.104 0 40 HKAB COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Cl)c1OC 409135351 YQWVFXCOTZCDKL-QGOAFFKASA-N 417.914 5.026 0 40 HKAB CCc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccccc3)nc2C)cs1 888714 KRSFFTCHDWWKLT-UHFFFAOYSA-N 420.563 6.133 0 40 HKAB CC(C)c1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1 919327 JZVXSLFWPBASHQ-YJBOKZPZSA-N 418.419 5.512 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)c(C)c1 1053128 DQTRGIJRLLTAIP-UHFFFAOYSA-N 402.450 5.143 0 40 HKAB CCOC(=O)c1c(C(C)(C)C)oc2cc(Br)c(OCC=C(C)C)cc12 1463678 GXZFMVRBNKQMMP-UHFFFAOYSA-N 409.320 6.015 0 40 HKAB CCCCCCOc1ccc(Nc2c(C(=O)OCC)cnc3c(C)cccc23)cc1 1775415 QFMQRJFWAAFYNC-UHFFFAOYSA-N 406.526 6.423 0 40 HKAB C[C@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2082218 QCZRUHUBGULBFL-HNNXBMFYSA-N 409.327 5.679 0 40 HKAB CC(C)(C)c1cc(N2CCN(c3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1 2439724 HXTRCZNWSDBINR-UHFFFAOYSA-N 411.553 5.020 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCc3ccccc3Cl)cc12 2667120 PUJQBOOUCKXYIC-UHFFFAOYSA-N 406.865 6.509 0 40 HKAB biogenic CCOC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CC[C@@H](CC)C2 2736489 FKCOGHHOWFMILZ-GFCCVEGCSA-N 406.935 5.737 0 40 HKAB CC1=CC(C)(C)N=C(SC(c2ccccc2)c2ccccc2)N1c1ccc(C)cc1 3074942 UCEDPNLVLRVNOZ-UHFFFAOYSA-N 412.602 7.376 0 40 HKAB CCc1cccc(CC)c1-n1c(SCc2c(C)noc2C)nnc1-c1cccnc1 3302683 LHLKGDRIUDZGCR-UHFFFAOYSA-N 419.554 5.351 0 40 HKAB O=C(CCC1CCCCC1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 3316268 JQZBCJIHAFERCC-UHFFFAOYSA-N 420.962 5.440 0 40 HKAB Brc1ccccc1-c1nnc(SCc2nc3ccccc3s2)o1 3412454 VPFJYRLULMPQOG-UHFFFAOYSA-N 404.314 5.401 0 40 HKAB COc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1cccs1 3672760 IWLSAKSCALGVLR-UHFFFAOYSA-N 418.002 5.903 0 40 HKAB Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1 4033541 WHZXNPFXQLQEMN-HXUWFJFHSA-N 413.496 5.361 0 40 HKAB COc1ccc(-c2nc3c(Br)cc(Br)cc3cc2C)cc1 4049908 OGYRHQCVTJANPO-UHFFFAOYSA-N 407.105 5.744 0 40 HKAB Cc1ccc(-n2ncc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc32)c(C)c1 4247474 YKMCVISTWYTJAY-UHFFFAOYSA-N 421.504 5.755 0 40 HKAB Cc1noc(C)c1CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1F 4399931 FFYSEMJQBZAAAJ-UHFFFAOYSA-N 414.893 5.624 0 40 HKAB Cc1[nH]c2ccccc2c1[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 4553714 FQOKXFXIYVJSLC-NDEPHWFRSA-N 418.496 5.412 0 40 HKAB COc1ccc([C@]23CCCC[C@H]2C2(CCCCC2)c2ccc(OC)cc2O3)c(O)c1 4653227 JXPMGTURKXGEGZ-AZGAKELHSA-N 408.538 6.089 0 40 HKAB COc1ccccc1-c1cc(C(F)(F)F)nc(N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)n1 4757734 QTODJWROFYDYQA-QKKBWIMNSA-N 405.464 5.576 0 40 HKAB Cc1ccc(S(=O)(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 5085839 QZVOIGAQCUNKIG-UHFFFAOYSA-N 413.542 5.265 0 40 HKAB Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)c1 5249582 SKVUNLOSHDBFSF-OAQYLSRUSA-N 416.864 5.208 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)c3cc4c(s3)CCCC4)n2)c1 5632078 PUOWUXBWTPTAHS-UHFFFAOYSA-N 400.525 5.020 0 40 HKAB CCOc1cc2c(cc1/C=C/c1ccc3c(Cl)cc(Cl)c(O)c3n1)O[C@@H](C)C2 5940278 QADZPZZYTDCYOH-ITKZLYELSA-N 416.304 6.140 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)c3ccccc3n2)cc1 6245093 WGXPLHKFQLVRPL-UHFFFAOYSA-N 406.844 5.955 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cc2ccccc2o1 6356595 LZKNQHAPZHWFTD-UHFFFAOYSA-N 406.511 5.059 0 40 HKAB Brc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)o1 6732342 FNXJOKNQOLXZFP-UGSOOPFHSA-N 401.285 5.346 0 40 HKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(Cl)cc1 6763200 WPDOVGKZOQSCAJ-UHFFFAOYSA-N 420.896 6.533 0 40 HKAB C[C@@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)N(C)Cc1ccccc1 7220512 DYMKFTCAWNMOKR-GOSISDBHSA-N 415.562 5.346 0 40 HKAB COc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1C(C)C 7360953 ATDXBPPSPXYBHK-UHFFFAOYSA-N 413.564 5.771 0 40 HKAB Cc1ccccc1Cn1c([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 7544403 PAAMVJQKTRJUMU-IBGZPJMESA-N 415.924 5.567 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c(C)c1 8041625 WATYUCMBTGCOSD-HNNXBMFYSA-N 412.382 5.427 0 40 HKAB O=C(COc1ccc2ccccc2c1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 8191766 BPKJQVSRMPAWSG-HXUWFJFHSA-N 418.518 5.041 0 40 HKAB Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)cs2)cc1 8369089 OYTFJHOCIKKBNK-HXUWFJFHSA-N 420.534 5.257 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1NC(=O)c1ccco1 8427966 YQMMHSUWFRRUOP-UHFFFAOYSA-N 403.463 5.216 0 40 HKAB COc1cc(CNC2CCCCC2)cc(Br)c1OCc1ccccc1F 8470452 VZYFQMKPQAOPGY-UHFFFAOYSA-N 422.338 5.598 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)cc1)N(c1cccc(C)n1)C3=O 8664924 CYJLSRHIRQGWTE-NRFANRHFSA-N 416.864 5.208 0 40 HKAB CC(=O)N([C@H]1CCOC(C)(C)C1)[C@@H](c1ccc(C)cc1)c1ccc(OC(C)C)cc1 8991445 IHJAIEPRLUWUBQ-ZCYQVOJMSA-N 409.570 5.678 0 40 HKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@@H](c2ccc(F)c(F)c2)N1 9090598 PKHWOGWKDZKXIO-OAQYLSRUSA-N 419.456 5.497 0 40 HKAB COc1ccc(Cc2nnc(S[C@@H](C(=O)c3ccccc3)c3ccccc3)o2)cc1 9145978 AUPYLPDPRWGYOM-HSZRJFAPSA-N 416.502 5.385 0 40 HKAB C[C@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2n1Cc1ccccc1Cl 9374938 MDUVCRZTNCFGIK-HNNXBMFYSA-N 424.331 5.882 0 40 HKAB Cc1cc(C)c(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c(Cl)c1 9512524 WMLKFFCLGHIKCM-UHFFFAOYSA-N 410.688 5.224 0 40 HKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 10325787 PALDQONBSYJHSA-UHFFFAOYSA-N 403.591 6.848 0 40 HKAB CCn1c(SCC(=O)c2cn(C)c3ccccc23)nnc1-c1cc2ccccc2o1 11410907 QBJKBGHNFZGADX-UHFFFAOYSA-N 416.506 5.178 0 40 HKAB COc1ccc(C(=O)[C@H](Sc2nc3ccccc3n2C)c2ccc(OC)cc2)cc1 12538239 SJOIOFIYAZUJMD-HSZRJFAPSA-N 418.518 5.307 0 40 HKAB Cc1nc(COc2cccc(C(=O)Nc3cccc(Br)c3)c2)cs1 12974841 RSJUGDPRFAVLMZ-UHFFFAOYSA-N 403.301 5.045 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 13036384 XXDXXNVXWIGLKQ-NZQKXSOJSA-N 406.507 5.398 0 40 HKAB CC(C)OCCCNCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 13722090 CPQNGXLZGMSYTG-UHFFFAOYSA-N 405.369 5.901 0 40 HKAB CCCOc1ccc2ccccc2c1CN(C)C(=O)c1cncc(Br)c1 15090688 WRYSFMODVZHFFV-UHFFFAOYSA-N 413.315 5.058 0 40 HKAB COc1ccc([C@H]2CC(=O)Nc3nc(Nc4ccccc4)sc32)cc1OC(C)C 15110070 DVZOXZSTJSRUON-MRXNPFEDSA-N 409.511 5.157 0 40 HKAB O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cccc(Cl)c1Cl 16399402 FQQXNYGQQSSZRU-UHFFFAOYSA-N 417.679 6.707 0 40 HKAB Clc1cc2c(cc1CSc1nc(-c3ccccc3)c(-c3ccccc3)[nH]1)OCO2 16491941 PPAOKFRDMAIUDI-UHFFFAOYSA-N 420.921 6.418 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccc(C(C)C)cc4)ccc3o2)c1 17089925 AQUKBBDHVQWCCN-UHFFFAOYSA-N 414.505 6.253 0 40 HKAB O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(\Nc1ccccc1)Sc1ccccc1 17256961 MCSDFYQDURKRBW-JQIJEIRASA-N 401.702 6.222 0 40 HKAB CCN(C(=O)CC1CCCCC1)[C@H]1CCO[C@@H](c2ccc(-c3cncnc3)cc2)C1 19711977 OGRRENUXRGUAEZ-BJKOFHAPSA-N 407.558 5.183 0 40 HKAB COc1ccc(S[C@H](C)C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1OC 20108719 ODGPOVPAYNXBKP-HOYKHHGWSA-N 421.562 5.399 0 40 HKAB CCCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccccc1OC)C3 20412294 UKCXRUBDZWDQBR-UHFFFAOYSA-N 413.901 5.150 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 20485531 CXCXJTSMXREURN-LJQANCHMSA-N 407.819 6.308 0 40 HKAB c1ccc(C(c2ccccc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 22454881 RNSSHWWJDFKKNX-UHFFFAOYSA-N 409.577 5.508 0 40 HKAB biogenic CCOc1ccc(CCC(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1OCC 22535228 BRARSKDOZFJHQE-JOCHJYFZSA-N 413.558 5.329 0 40 HKAB O=C(Nc1ccc(Nc2ccccc2)cc1)C1C[C@@H]2CC[C@H](C1)C21SCCS1 24986507 QMXUDSJXJDWCFZ-AYHJJNSGSA-N 410.608 5.981 0 40 HKAB Cn1cccc1[C@H]1CCCCCN1C(=O)CCc1ncc(-c2c(F)cccc2F)o1 25712594 NUDJVGDBKUGDMR-LJQANCHMSA-N 413.468 5.035 0 40 HKAB COc1ccc(CC(=O)Nc2nc(-c3ccc(-c4ccc(F)cc4)s3)cs2)cc1 27913927 LSIQWQDHGYGEGS-UHFFFAOYSA-N 424.522 5.868 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)cc1 32752875 TWJKEBNSQBQVEU-MRXNPFEDSA-N 424.932 5.039 0 40 HKAB Cc1ccccc1N(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 33590728 VUEABTLOPFCBGP-UHFFFAOYSA-N 406.334 5.697 0 40 HKAB O=c1c2c(ncn1Cc1ccccc1Cl)c1cc(F)ccc1n2Cc1ccccc1 35400549 VBAJBUSCSQCTOX-UHFFFAOYSA-N 417.871 5.240 0 40 HKAB CC[C@H]1[C@@H](O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCC(=O)O)[C@@]2(C)CC[C@@H](O)C[C@H]12 38149335 ZXERDUOLZKYMJM-MGZHBFIISA-N 420.634 5.114 0 40 HKAB Cc1ccc([C@@H](NC(=O)COc2ccc(Br)cc2)c2ccccc2)cc1 38755517 PJHAANWFNVTHRY-QFIPXVFZSA-N 410.311 5.042 0 40 HKAB CC(C)c1ccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 38833703 YIHGSEHBOSFOJO-QGZVFWFLSA-N 405.369 5.968 0 40 HKAB COc1ccc([C@@H]2CCCCCN2C(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1 40005364 NAKRWFPAMRUAEP-DQEYMECFSA-N 418.537 5.103 0 40 HKAB Nc1c(Cl)cc(NC(=O)Cc2ccc(Cl)cc2)c(Cl)c1Br 45891612 YVXFBHUQBYYSRA-UHFFFAOYSA-N 408.510 5.173 0 40 HKAB O=C(Nc1cccc(Oc2ncccn2)c1)c1cc2cccc(Br)c2o1 46699042 KGHWFVUHIXLGFB-UHFFFAOYSA-N 410.227 5.030 0 40 HKAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)c(C)c2)n1 67296859 TWZVSHGAOMRPQN-RWEWTDSWSA-N 403.869 5.583 0 40 HKAB CCc1ccc2oc(-c3cc(NC(=O)C(Cl)(Cl)Cl)cc(C)c3O)nc2c1 70462012 CTLFICAITGWEAD-UHFFFAOYSA-N 413.688 5.380 0 40 HKAB Fc1ccc(CN2CCC3(CC2)C[C@H]3c2nnc(-c3ccccc3)o2)c2ncccc12 71889685 KXZKSMYNRGHHJC-FQEVSTJZSA-N 414.484 5.194 0 40 HKAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CCCN(C(=O)C(C)C)C2)n1 72353833 WRIMNOWYNNDACK-IBGZPJMESA-N 404.476 5.362 0 40 HKAB Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN2C(=O)CCCc2ccc(F)cc2)n1 72372674 FIBMVRSZSQCAJB-QHCPKHFHSA-N 418.516 5.354 0 40 HKAB FC(F)(F)c1ccc2[nH]c(SCc3nnc(-c4ccccc4Cl)o3)nc2c1 84514905 PMYHIPGXYBKKIX-UHFFFAOYSA-N 410.808 5.577 0 40 HKAB Clc1cccc(Cl)c1[C@@H]1C=C(c2ccc(Br)cc2)Nc2ncnn21 101070075 SBQTWAIJAVKUNY-HNNXBMFYSA-N 422.113 5.403 0 40 HKAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(Cl)cc4)c(C)s3)C(=O)[C@H]12 102634787 ZXAOMJKVEMPICG-LAQRGFTBSA-N 412.942 5.254 0 40 HKAB CCOc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 107041907 HPGRUAWGWFXCIG-UHFFFAOYSA-N 403.856 6.208 0 40 HKAB CN1CCC(N(Cc2cccc(-c3cccc(F)c3)c2)Cc2ccccc2Cl)CC1 141528569 HJKGFGAHNUFCOG-UHFFFAOYSA-N 422.975 6.243 0 40 HKAB Cc1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4ccccc4)C3=O)cc2)c1 214161214 UUSFMEREGUQBHL-HZHRSRAPSA-N 415.514 5.811 0 40 HKAB COc1ccc(-c2nnc(NC(=O)c3ccccc3CCc3ccccc3)s2)cc1 222574019 SBTMSWAOCSFYCW-UHFFFAOYSA-N 415.518 5.251 0 40 HKAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2SCc2ccccc2)c1 223628911 ORQBYUDGZKLYHM-KRWDZBQOSA-N 407.535 5.487 0 40 HKAB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)cc2)c1 223641922 GPTQDCUNLOBZHT-UHFFFAOYSA-N 424.305 5.595 0 40 HKAB CCCC[C@@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 224090864 ZECLNBLBFVSKJV-LJQANCHMSA-N 416.587 5.050 0 40 HKAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C 224264537 KAMIROVJSDAWTM-PKTZIBPZSA-N 404.583 5.314 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1cccc(C)c1 224382742 JLRVKVZSWHMBJE-UHFFFAOYSA-N 403.522 6.096 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1 224385742 QMZDYKDKVJLEAI-UHFFFAOYSA-N 413.568 5.145 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccc(OC)cc1 224604698 GGHAHLDJSCWMHB-UHFFFAOYSA-N 411.542 5.516 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1ccc(C)c(C)c1 224619559 PNDCPTKZVTZHSW-UHFFFAOYSA-N 417.549 6.404 0 40 HKAB CC1=C2C[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@@H]2C 252162827 QASFUMOKHFSJGL-WESAVMKZSA-N 411.630 5.002 0 40 HKAB biogenic,in-vitro O=C(c1ccccc1-c1ccccc1)N1CCOC[C@@H](Cc2cncc3ccccc23)C1 257239948 HRMDFVMTZZBWSY-NRFANRHFSA-N 422.528 5.233 0 40 HKAB CCc1ccccc1NC(=O)c1cc(Br)ccc1OCc1ccccc1 408588495 WODGJHLGYJTSMC-UHFFFAOYSA-N 410.311 5.843 0 40 HKAB COc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2ccccc2F)cc1 408624358 HDKJPAJPLWMZQF-UHFFFAOYSA-N 423.868 5.022 0 40 HKAB COc1cc(Cl)c(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)cc1OC 408807062 KAIHQRRYRWJZQC-UHFFFAOYSA-N 424.329 5.082 0 40 HKAB CCc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)o2)cc1 409168209 LIPJGYRYXOUMAH-UHFFFAOYSA-N 411.527 5.065 0 40 HKAB COc1cc(CNc2cccc(C)c2C)ccc1OCC(=O)Nc1cccc(C)c1 409255371 JUSSCTDNXTWEKH-UHFFFAOYSA-N 404.510 5.250 0 40 HKAB CC1(C)C[C@@]2(C[C@@H](c3ccccc3Cl)Oc3cc(O)c(Cl)cc32)NC(=S)N1 1065281 PMUHCWYQISFPNP-FXAWDEMLSA-N 423.365 5.065 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)cc1 1337246 YCTDLRWFUURABC-UHFFFAOYSA-N 423.557 5.209 0 40 HKAB CCCCCOc1ccc(N[P@](C)(=O)Oc2ccc(Cl)cc2Cl)cc1 1803579 PAVRKJHRZQUJPA-RUZDIDTESA-N 402.258 6.876 0 40 HKAB Cc1ccc2nc(-c3ccc(OC(=O)c4ccc(Cl)cc4Cl)cc3)sc2c1 2061944 HMYLLHGCJHHGTH-UHFFFAOYSA-N 414.313 6.798 0 40 HKAB Cc1cccc(NC(=O)c2c(NC(=O)c3ccccc3)sc3c2CCCCC3)c1 2062104 ZHIPZJFSJRVVDW-UHFFFAOYSA-N 404.535 5.830 0 40 HKAB O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)c1ccc2ccccc2c1 2229909 PRASFQPNUKWOJJ-UHFFFAOYSA-N 422.513 5.458 0 40 HKAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)C1 2647678 NOUWZYOGXPGLGH-QZTJIDSGSA-N 406.551 5.605 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)cc1 2649454 AXXAZBIHVNHTCD-NSHDSACASA-N 409.342 5.280 0 40 HKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c(C)c1 2887727 IMZKIBCJFXELLP-UHFFFAOYSA-N 419.472 5.420 0 40 HKAB COc1ccc(NC(=O)Cn2c(-c3ccc(C)cc3)csc2=S)cc1Cl 3371343 COFXWKQBMYLLQW-UHFFFAOYSA-N 404.944 5.555 0 40 HKAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)NCC1CCCCC1 3396227 OFZCVCMRLMTRRM-UHFFFAOYSA-N 421.975 5.393 0 40 HKAB Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CSC3)c1 4176114 IATYWAXDNZWPJP-UHFFFAOYSA-N 401.894 5.281 0 40 HKAB COc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1NC(=O)c1cccs1 4487838 VERWYFSGENIEIK-UHFFFAOYSA-N 410.495 5.049 0 40 HKAB Cc1cccc(OCCn2c(NC(=O)c3ccc(Cl)cc3)nc3ccccc32)c1 4551641 ZZKXLSITRHMHGG-UHFFFAOYSA-N 405.885 5.329 0 40 HKAB COc1cccc2cc(-c3nc(-c4ccccc4)cs3)/c(=N/c3ccccn3)oc12 4599609 TZIUTHUWPHFEJE-VYIQYICTSA-N 411.486 5.859 0 40 HKAB Cc1ccc(-c2nc(SCC(=O)NC3CCCC3)[nH]c2-c2ccc(C)cc2)cc1 5266791 AOZYTWCPKNDMON-UHFFFAOYSA-N 405.567 5.511 0 40 HKAB CN1C(=O)/C(=C/c2ccc(Oc3ccccc3)cc2)c2cc(Br)ccc21 6497680 JFVSKUYFIGMYKQ-DEDYPNTBSA-N 406.279 5.758 0 40 HKAB COc1ccc(CCNCC[C@]2(c3ccc(C)cc3)CCOC(C)(C)C2)cc1OC 6759178 YNNBSTZWUGSALO-SANMLTNESA-N 411.586 5.061 0 40 HKAB CC(C)c1ccc(-c2nnc3n(CCc4ccccc4)c(=O)c4ccccc4n23)cc1 6781255 NRLBTNRNWSKNPQ-UHFFFAOYSA-N 408.505 5.077 0 40 HKAB COc1ccc2cc([C@H](C)C(=O)Nc3ccccc3C(=O)NC3CCCC3)ccc2c1 7987656 KXZPBKICTRBRMR-KRWDZBQOSA-N 416.521 5.263 0 40 HKAB Cc1nc(-c2ccc(NC(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)cc2)cs1 8129016 IELXTLKTNVFPMI-UHFFFAOYSA-N 417.538 5.574 0 40 HKAB CC(=O)c1c(C)[nH]c(-c2csc(-c3ccc(NC(=O)c4ccco4)cc3)n2)c1C 8298606 NTPLBFLCEDXCIR-UHFFFAOYSA-N 405.479 5.470 0 40 HKAB O=C1CCc2cc(-c3csc(-c4ccc(NC(=O)c5ccco5)cc4)n3)ccc2N1 8298668 LSWJUGKWZOWQSS-UHFFFAOYSA-N 415.474 5.207 0 40 HKAB O[C@H](c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Oc1ccccc1 8762792 ZLRUGDAWYQJHOZ-GOSISDBHSA-N 414.210 6.281 0 40 HKAB COCCn1c(C)cc(-c2csc(-c3cc(Br)ccc3OC)n2)c1C 8940730 LGLZXZITALIVKA-UHFFFAOYSA-N 421.360 5.313 0 40 HKAB C[C@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(C(C)(C)C)cc1 9062647 VDHLIRCZRAPUMV-SFHVURJKSA-N 413.005 5.727 0 40 HKAB CSCC[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 9502678 XXUJKOAGWSZVHH-MRXNPFEDSA-N 424.513 5.468 0 40 HKAB O=C(NCc1nc2ccccc2n1CCCCOc1ccccc1Cl)c1ccco1 11667176 NCUFFEAFQWIYIG-UHFFFAOYSA-N 423.900 5.072 0 40 HKAB CC(C)c1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]2)cc1 13284089 STZOQOMJHKPIDR-UHFFFAOYSA-N 407.344 7.841 0 40 HKAB Cc1csc(NC(=O)Cc2c(C)c3cc4c(C(C)(C)C)coc4cc3oc2=O)n1 13628429 QCCOPTGSYQGCGV-UHFFFAOYSA-N 410.495 5.091 0 40 HKAB COC(=O)c1cc(NC(=O)N2c3ccccc3Sc3ccccc32)ccc1Cl 13717235 NLTUTNIZSPUJTB-UHFFFAOYSA-N 410.882 5.961 0 40 HKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(Br)cc1 14206121 JZXCENJPASKHPK-UHFFFAOYSA-N 405.679 5.329 0 40 HKAB COc1cc(/C=C/C(=O)Nc2nc3ccc(F)cc3s2)cc(Cl)c1OC(C)C 15319081 ZANDHLIAUQHRLI-QPJJXVBHSA-N 420.893 5.537 0 40 HKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)c1 17082309 GEROVNCDCBWNKG-UHFFFAOYSA-N 401.963 5.074 0 40 HKAB CC(=O)Nc1ccc(SCC(=O)N2c3ccccc3CCc3ccccc32)cc1 17082503 ILDMTZDOIDRZBM-UHFFFAOYSA-N 402.519 5.201 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccccn1)N1C(=N2)C=Cc2ccccc21 21540626 IQTIKXOUVMZRMZ-DEOSSOPVSA-N 423.907 5.896 0 40 HKAB CCOc1ccc(CN(C)C(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1 27746848 XPTWUYXFGRMZLU-UHFFFAOYSA-N 402.853 5.113 0 40 HKAB CC(C)Oc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 30940375 YTVLQRLULWTHMC-UHFFFAOYSA-N 421.368 5.631 0 40 HKAB COc1cccc(Cn2nc(C)c(NC(=O)c3cc(Cl)ccc3Cl)c2C)c1 32610108 GPJMJBLMVPEESU-UHFFFAOYSA-N 404.297 5.116 0 40 HKAB CCCc1ccc([C@@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c2cccs2)cc1 32885637 WFUNENBDQVNXOX-AUSIDOKSSA-N 404.535 5.032 0 40 HKAB Cc1cc(C)c2[nH]c(CSc3ccccc3NC(=O)c3cccs3)cc(=O)c2c1 33063911 RWFFLCIXAVWDDC-UHFFFAOYSA-N 420.559 5.751 0 40 HKAB O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)Nc1cccc(Cl)c1Cl 35105220 HPCZGQXMCBMWBU-UHFFFAOYSA-N 423.299 5.818 0 40 HKAB CCc1cccc(C)c1Nc1c(-c2cc(OC)c(O)c(OC)c2)nc2cccc(C)n12 35615734 XFNPSJQVQDJSGJ-UHFFFAOYSA-N 417.509 5.647 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 36067887 MQACNSIEWQLTOA-CPJSRVTESA-N 408.586 5.444 0 40 HKAB CC(C)Cn1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N2C)c2ccccc21 39556787 FKZCCOQYTAWINE-MTJSOVHGSA-N 423.969 5.555 0 40 HKAB Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccccc2N2CCCCCC2)c(C)c1 57974335 PCSRRAFZRQSMEM-UHFFFAOYSA-N 422.573 5.095 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C(C)C)cc2)c(C)c1 67297112 OEBQGKGRBZTOLA-DQSJHHFOSA-N 410.517 6.658 0 40 HKAB COc1ccc(-c2cccc([C@H]3CCCN(Cc4ccc(NC(C)=O)cc4)C3)n2)cc1 72349932 YBPZNHKEOJCBRW-QFIPXVFZSA-N 415.537 5.095 0 40 HKAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72356464 UWUZKGHMACKHGL-SFHVURJKSA-N 416.912 5.298 0 40 HKAB Cc1cccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccccc5)cn34)n2)c1C 96038065 QEFBSQIKOHFHFY-UHFFFAOYSA-N 406.489 5.661 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C(=O)N(C)C)c1 96146435 MTBVCXNRQOROEX-UHFFFAOYSA-N 416.525 5.576 0 40 HKAB C[C@H]1C[C@@H]2CC[C@]1(NC(=O)CCCCC(=O)N[C@@H]1C[C@@H]3CC[C@]1(C)C3(C)C)C2(C)C 100497596 ISINGHVAECMBPX-RASIAVRHSA-N 416.650 5.209 0 40 HKAB Clc1ccc([C@@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3nnnn32)c(Cl)c1 101242578 JONVESGJJHQOLX-NRFANRHFSA-N 420.303 5.703 0 40 HKAB COc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O 106685967 HBGFYTQUZGIGRI-NDENLUEZSA-N 409.894 5.738 0 40 HKAB CSc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 113952042 NRBLKYJXUJOPQA-UHFFFAOYSA-N 409.382 5.566 0 40 HKAB Cc1cc(OCC(=O)NCCCc2ccc(C(C)C)cc2)cc(C)c1Br 218845348 UWJSVKZTSOYFLG-UHFFFAOYSA-N 418.375 5.317 0 40 HKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(C4CCCCC4)c3C)N21 222693577 NFOOPFNIKALYIL-CDNPAEQRSA-N 408.615 5.985 0 40 HKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223396399 IOLZOSVHFPEWFR-ZDUSSCGKSA-N 413.930 5.143 0 40 HKAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC 223412285 QBJSHIQEGWEKJF-JOCHJYFZSA-N 400.950 5.126 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 223955029 PBMZOWINDSFMDJ-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1N(C)S(=O)(=O)c1ccccc1 224288687 VGEAZCUWNJWPDY-UHFFFAOYSA-N 422.550 5.196 0 40 HKAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C 224896168 HJYRBYWUHCMCRZ-FCHUYYIVSA-N 408.546 5.144 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1Cl 225407613 WSIJYZWBMZOITB-CQSZACIVSA-N 418.990 5.862 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)c(C)c1 225500315 WYCXCEHOLZHGCJ-NRFANRHFSA-N 414.571 5.254 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C(=O)OC 225758428 MENWKUFACWJYPB-LJQANCHMSA-N 423.553 5.800 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253505645 YMMFNKXZULYSOQ-GCCIQOFISA-N 420.678 5.554 0 40 HKAB biogenic,in-vitro Cc1c(C(=O)O)cccc1-c1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)o1 408631683 AJKHUKJYRNPAIS-ODLFYWEKSA-N 420.446 5.047 0 40 HKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 408674958 FKGFXTLVAAPRRI-UHFFFAOYSA-N 412.489 5.443 0 40 HKAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(OCc2ccccc2)cc1 408804487 AKDWWSDPQAVWNP-UHFFFAOYSA-N 405.474 5.168 0 40 HKAB Cc1ccc(CSCCNC(=O)CSCc2cccc(Br)c2)cc1 408868266 PDMHGMFOIQORPV-UHFFFAOYSA-N 424.429 5.040 0 40 HKAB COc1ccccc1OCc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1 409178502 KHUIQORODFASMN-UHFFFAOYSA-N 424.496 6.469 0 40 HKAB O=C(OCc1ccc(Cl)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12 409184641 YKPWXEZCUNWOLA-UHFFFAOYSA-N 408.284 6.566 0 40 HKAB Cc1ccc([C@H](C)N(C)C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cc1 502288747 BMOCPDTYCNVLRX-FQEVSTJZSA-N 412.537 5.296 0 40 HKAB Cc1cnc(Nc2cccc(C3CCN(Cc4cccc5ncccc45)CC3)n2)s1 585262528 CZLYFKQYDRLWPA-UHFFFAOYSA-N 415.566 5.518 0 40 HKAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(Cl)cc4)sc3n2)cc1 661545 ZDHLTMYGDDJYNT-UHFFFAOYSA-N 409.898 5.460 0 40 HKAB c1cncc(-c2nc3cc(Cc4ccc5oc(-c6cccnc6)nc5c4)ccc3o2)c1 912029 RAPROXBJJCMCQM-UHFFFAOYSA-N 404.429 5.684 0 40 HKAB CN(C)C(=O)Sc1ccc(-c2c(-c3ccccc3)oc3ccc4ccccc4c23)cc1 1718116 IZMRMECKEPCMHA-UHFFFAOYSA-N 423.537 7.694 0 40 HKAB COc1ccc2c(c1)-c1c(sn(-c3ccc(Cl)cc3Cl)c1=S)C(C)(C)N2 1836215 LXVXWOLENCJOCP-UHFFFAOYSA-N 423.390 6.911 0 40 HKAB CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(SC)cc1)Nc1ccccc1-2 2084681 FXJBNIXHHNZXGU-FQEVSTJZSA-N 424.595 6.046 0 40 HKAB Cc1occc1-c1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)o1 2211894 HIBLTOIITUPOPV-UHFFFAOYSA-N 421.503 5.560 0 40 HKAB Cc1csc(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n1 2617633 FSSKADHGCRFKOC-MRXNPFEDSA-N 408.470 5.942 0 40 HKAB C[C@H]1C[C@H](C)CN(C(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)C1 3310044 YOOQLGGQTNWUOW-HOTGVXAUSA-N 423.354 5.782 0 40 HKAB O=C(COC(=O)c1c(Cl)ccc(Cl)c1Cl)Nc1ccc(OC(F)F)cc1 3316367 WTWCUWDHKHLTRM-UHFFFAOYSA-N 424.614 5.044 0 40 HKAB O=C(CN1C(=O)c2cccc3cccc1c23)NCCC(c1ccccc1)c1ccccc1 3340318 ZYMNHIGRXCMAPO-UHFFFAOYSA-N 420.512 5.138 0 40 HKAB Cc1ccc(C(=O)O/C(=C\c2nc3ccccc3n2CC(C)C)c2ccc(C)cc2)cc1 3876456 VTKSRAPALUJOTN-ONUIUJJFSA-N 424.544 6.664 0 40 HKAB Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(Cl)c1 4312978 NRHTZNKUVVSOLR-UHFFFAOYSA-N 417.321 5.581 0 40 HKAB Clc1ccc(Cc2nnc3sc(COc4ccc5ccccc5c4)nn23)cc1 4667828 DYKKPLNWBQMJML-UHFFFAOYSA-N 406.898 5.162 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 4699660 ADGJKFOGADKHOT-UHFFFAOYSA-N 404.897 6.698 0 40 HKAB Cc1cc2n(n1)[C@@H](c1cn(-c3ccccc3)nc1-c1ccccc1)Nc1ccccc1-2 4749739 IZVDCUOUIWTAAM-SANMLTNESA-N 403.489 5.684 0 40 HKAB Cc1nc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)cs1 4783699 CUAYHAHRFRDQQF-UHFFFAOYSA-N 412.971 5.704 0 40 HKAB COc1ccc2ccccc2c1[C@H]1N=C(O)c2c(sc3c2CC[C@@H](C(C)(C)C)C3)N1 4783900 JZKPOVKCXXICMA-QRQCRPRQSA-N 420.578 6.490 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2c(C)ccc(C)c2C)cc1 4901233 CMEUQFSEUCBYLL-UHFFFAOYSA-N 414.505 5.076 0 40 HKAB CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(OCC(C)C)cc4)c3)nc2c1 4906745 RVCYAPWUELNVAN-UHFFFAOYSA-N 414.505 6.344 0 40 HKAB CC(C)c1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1 5460476 PDPKECKHHQQXIH-ISKFKSNPSA-N 401.941 6.959 0 40 HKAB O=c1cc(CSc2ccccc2)nc(SCc2c(Cl)cccc2Cl)[nH]1 6448773 OTHXMKBPYUZHFL-UHFFFAOYSA-N 409.363 5.661 0 40 HKAB COc1ccccc1NC(=O)COc1ccc(/C=C2/Sc3ccccc3C2=O)cc1 6453418 VKNQGPJNDWWLMS-HYARGMPZSA-N 417.486 5.042 0 40 HKAB CCOc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cc1 6779803 SDDXAJAVPWQDGV-SCBVSMRHSA-N 408.626 6.872 0 40 HKAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1nnc(-c2ccccc2)o1 6938132 YMIRMODDQOUMCI-HNNXBMFYSA-N 419.554 5.683 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C 8494872 SETAHXISOFOKPV-PMACEKPBSA-N 416.521 5.200 0 40 HKAB O=C1/C(=C\Nc2cccnc2Cl)c2ccccc2C(=O)N1c1cccc(Cl)c1 8519941 XFHOPLZHSDXBPA-ATVHPVEESA-N 410.260 5.028 0 40 HKAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cccc(NC(C)=O)c1 9226287 KCMVGIXQMNIZPD-UHFFFAOYSA-N 421.353 5.523 0 40 HKAB COc1ccccc1[C@@H]1C(C(=O)Nc2ccc(C)cc2)=C(C)Nc2nc3ccccc3n21 9288238 STCCWGHFBGPYCO-XMMPIXPASA-N 424.504 5.281 0 40 HKAB Cc1c(CCC(=O)Nc2nccs2)c(=O)oc2c(C)c3oc4c(c3cc12)CCCC4 9435856 ZJCIBGVIUUZVIA-UHFFFAOYSA-N 422.506 5.063 0 40 HKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nnc(SCc2ccccc2)s1 12062934 HCBNOYWDHHNSGA-DGCLKSJQSA-N 414.383 5.360 0 40 HKAB CC(C)Oc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN23)cc1 12192818 YNHUCASOFNSWMO-NOZRDPDXSA-N 418.924 6.370 0 40 HKAB CC(C)C(=O)N1CCCc2cc(-c3csc(NC(=O)c4cccs4)n3)ccc21 12220065 QLFOUXVHJBWLNM-UHFFFAOYSA-N 411.552 5.059 0 40 HKAB O=C(CNC1CCCCC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 12360068 NHGLMLKOPKUAMT-UHFFFAOYSA-N 406.473 5.757 0 40 HKAB biogenic CCc1c(C)sc2nc(SCc3cccnc3)n(-c3ccc(OC)cc3)c(=O)c12 12521968 FABQHXFOVVFTLR-UHFFFAOYSA-N 423.563 5.014 0 40 HKAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 12599661 RLBIDTCWEJEYCH-IEXUWNMDSA-N 408.538 5.443 0 40 HKAB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/c1cc(C(=O)O)c2ccccc2n1 13039396 DAWNFNWYJJPHMU-VAWYXSNFSA-N 403.869 5.310 0 40 HKAB CCn1c(SCc2nc3ccccc3c(C)c2Cl)nnc1-c1ccc(OC)cc1 13109733 BJNRCZDIYRICHK-UHFFFAOYSA-N 424.957 5.776 0 40 HKAB Cc1ccc(C)c2nc3c(cc12)CN(CCC(c1ccccc1)c1ccccc1)CCO3 13563782 MAPPRMAOCIEZRJ-UHFFFAOYSA-N 422.572 6.268 0 40 HKAB COc1ccccc1C(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cccc(C)c1 13647085 ULKCYINFRDQZHC-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB Cc1cc(C)c2oc(-c3cc(NC(=O)c4cccnc4Cl)ccc3Cl)nc2c1 17089088 XOVIBMQJUBDBAC-UHFFFAOYSA-N 412.276 6.066 0 40 HKAB COc1cc(NC(=O)c2ccccc2Cl)ccc1NC(=O)c1ccccc1Cl 17090211 UTQUELDZXVVURV-UHFFFAOYSA-N 415.276 5.507 0 40 HKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2cc(C)ccc2C)CC1=O 21524535 GWHLHDIVVDTPOS-NRFANRHFSA-N 419.569 5.238 0 40 HKAB COc1ccc([C@H](CNC(=O)c2oc3ccc(F)cc3c2C)N2CCCCCC2)cc1 27583187 FCVKDYUKYLSJPM-QFIPXVFZSA-N 424.516 5.236 0 40 HKAB Cc1ccc(OCc2nc(CC(=O)N(C)[C@H](C)c3ccc(Cl)cc3)cs2)cc1 30315369 RKWDTDGSRWGYKQ-MRXNPFEDSA-N 414.958 5.446 0 40 HKAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 32116601 HPFFWJCYTGFTMP-SFHVURJKSA-N 414.505 6.541 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(NC(=O)[C@@H](C)Oc4ccc(F)cc4)cc3)n2)cc1 32623168 WDAAIPIZDWKDJX-MRXNPFEDSA-N 417.440 5.257 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC 33088713 KKAWUDFYVNBZCJ-UHFFFAOYSA-N 420.534 5.005 0 40 HKAB CCOc1c(Br)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 33743383 DMLABEMNYOISLO-UHFFFAOYSA-N 419.102 5.416 0 40 HKAB Cc1ccc(N(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1 34550319 OMMRSCXBBGEIGA-UHFFFAOYSA-N 417.144 6.990 0 40 HKAB COc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccccc23)cc1Cl 48986019 VJLZJQURCVFRAB-UHFFFAOYSA-N 409.917 5.513 0 40 HKAB COc1cc(Nc2cc(C(=O)N3CCC[C@H](C)C3)nc3ccc(C)cc23)cc(OC)c1 48987713 XZGYBUZQQLLHKW-KRWDZBQOSA-N 419.525 5.176 0 40 HKAB O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1ccc(N2CCCCC2)cc1 57355258 ANEBQLPOMXPADM-XMMPIXPASA-N 423.557 5.195 0 40 HKAB O=C(c1cccnc1)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72357808 QHZMKWQVDMVJMM-NRFANRHFSA-N 411.427 5.064 0 40 HKAB CC[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(OC(F)F)c2ncccc12 78648536 RAVUMXPMUFKXLO-HNNXBMFYSA-N 403.454 5.439 0 40 HKAB O=C(Nc1ccccc1C(=O)OCc1csc(-c2ccccc2)n1)c1ccco1 89851356 HINSRMBRVDJMEH-UHFFFAOYSA-N 404.447 5.012 0 40 HKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc3cc(OC)ccc3nc2Cl)c1 89941773 WKQMZRWYLJGUTO-UHFFFAOYSA-N 418.280 5.151 0 40 HKAB Cc1c(-c2nnc3sc(-c4ccccc4Br)nn23)oc2ccccc12 96194111 DAEHJPBYAHIDQP-UHFFFAOYSA-N 411.284 5.337 0 40 HKAB COc1ccc(-c2c(NC(=O)c3cccs3)oc3c(C)cccc3c2=O)cc1OC 101192245 GULNKRPVYPSXHF-UHFFFAOYSA-N 421.474 5.099 0 40 HKAB CC(C)CCC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118916746 ZJIBAMHOAQWYSE-UDLBQRMISA-N 400.647 6.568 0 40 HKAB O=C(COc1cccc2ccccc12)NCCSCc1c(F)cccc1Cl 218909850 KVPPAIQXJDPJOA-UHFFFAOYSA-N 403.906 5.061 0 40 HKAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NCCC(c1ccccc1)c1ccccc1)[C@@H]2C(=O)O 222243443 DHJHVSUPQKWXTJ-ZCAIMPEWSA-N 417.549 5.018 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Br)cc1F 223019425 ZMFRARAAPFTIFU-MRXNPFEDSA-N 400.675 5.346 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc2cc3ccccc3nc2s1 223130412 WTFHWUCMTPWGFF-UHFFFAOYSA-N 406.816 6.374 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1Cc1ccco1 223365762 VHPIAQQWHCGWDR-FGZHOGPDSA-N 406.555 5.154 0 40 HKAB C[C@@H]1CCCCN1c1ccc(NC(=S)NCc2ccc(-c3ccccc3)o2)cn1 223911134 ULAIRQGQYVENAM-QGZVFWFLSA-N 406.555 5.207 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccccc1C 224372927 PNFCCPOKDKBUDK-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224994909 VIFNDBDSWJWDAR-RTWAWAEBSA-N 422.613 5.249 0 40 HKAB FC(F)(F)c1cc(NC(=S)NC2(c3cccs3)CCCC2)ccc1Cl 225854781 RVSZFIRTVPHEKL-UHFFFAOYSA-N 404.910 6.176 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)NC2(c3ccccc3C)CCCC2)c1 225861750 ASLPCLCFEWJPPU-UHFFFAOYSA-N 402.947 5.191 0 40 HKAB CCO[C@]1(C(=O)Nc2ccc(OCCCN3CCCC[C@H]3C)cc2)CCC[C@@H](C)C1 260816815 QQAIJZWRFPQGSN-DNRQZRRGSA-N 416.606 5.254 0 40 HKAB Cc1cc(Br)ccc1NCc1ccccc1OCc1ccccc1F 408603679 CGJGPZXGYXTWCX-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(F)cc2)cc1Cl 408697769 JGLUUPGVUMAWKU-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2ccc(Cl)cc2)cc1 408697837 KBSVVTRVDKJZRJ-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2cccc(C)c2)cc1 408699358 SZEOALLVFBRGFI-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2cc(C)ccc2C)cc1 408699929 XIKHUSBEKZIZRY-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)cc(C)c1Cl 408705920 QHKZUENPPSAQKN-LLVKDONJSA-N 417.130 5.779 0 40 HKAB Cc1ccc(COc2ccccc2/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 408820350 XBOSVAZXAXUIJA-JCMHNJIXSA-N 401.487 5.815 0 40 HKAB CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(CCCc2ccccc2)C1=O 409125509 MVDJUHRIMMUJSR-RGEXLXHISA-N 401.915 5.408 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@H]21)c1ccccc1 409371078 FUZDSBWXKCJNRZ-FKDDUOCFSA-N 417.508 5.749 0 40 HKAB O=C(N[C@H](Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl)c1ccco1 823826 LPYXKEGFZRLVAF-LBPRGKRZSA-N 402.492 5.125 0 40 HKAB O=c1oc2ccccc2cc1-c1csc(-c2cc3cc(Cl)ccc3oc2=O)n1 842890 VISFKUCOLSNXAX-UHFFFAOYSA-N 407.834 5.343 0 40 HKAB Cc1ccc(NC(=S)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C2CCCC2)cc1 931494 MWIXOYBMASOQBS-UHFFFAOYSA-N 419.594 5.595 0 40 HKAB COc1ccccc1C(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 985114 YOTSRNVMKIBSFV-UHFFFAOYSA-N 401.409 6.157 0 40 HKAB O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 997583 FCZWTOVZTBPMJI-UHFFFAOYSA-N 413.260 5.819 0 40 HKAB CC(C)(C)c1ccc(C(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 1068688 JCGGQQQNIQPFEB-UHFFFAOYSA-N 417.534 5.800 0 40 HKAB CC[C@@]12CCCN(Cc3ccccc3)[C@@H]1c1c([nH]c3ccccc13)[C@H](C(=O)OC)C2 1630542 IBFSIGFORJKEAJ-ZOSUSCCZSA-N 402.538 5.562 0 40 HKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)OC2CCCCC2)cc1 2074040 VMCYJVSKQJIYEX-UHFFFAOYSA-N 421.566 5.135 0 40 HKAB Cc1cccc(OC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c1 2079407 DJBGPQQRISMSNA-UHFFFAOYSA-N 418.290 6.192 0 40 HKAB CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 2214934 DDIFAWXPGSRMNJ-UHFFFAOYSA-N 422.337 5.661 0 40 HKAB CCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)C[C@@H](C(C)C)OC3 2322218 RGPOZKSIXXAGRR-KRWDZBQOSA-N 420.644 5.953 0 40 HKAB Brc1ccc([C@@H]2C=C(c3cccnc3)Nc3nc4ccccc4n32)cc1 2499997 WJSHSHKVOMICFC-FQEVSTJZSA-N 403.283 5.250 0 40 HKAB COC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2C)sc2c1CCCC2 2795767 LTIJIFITPSCDJZ-UHFFFAOYSA-N 421.946 5.173 0 40 HKAB CSc1ccccc1NC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 3227527 YTBYBYWZZXFXGF-UHFFFAOYSA-N 417.486 5.199 0 40 HKAB O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccccc1F 3355769 SYCPIVLELYDLML-UHFFFAOYSA-N 421.472 5.247 0 40 HKAB O=C(c1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1)C(F)(F)F 3383054 GXXXYNRYLMWOAT-UHFFFAOYSA-N 411.810 6.967 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1nc2ccc3ccccc3c2s1 4079303 APRXVUMZTZBPME-UHFFFAOYSA-N 403.290 5.774 0 40 HKAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C(C)C)cc2)n2c(nc3ccccc32)N1 4741588 NCYOKWUKAHDOMQ-QHCPKHFHSA-N 403.526 5.792 0 40 HKAB Cc1cccc(-c2cc3nc(-c4ccccc4)cc(NCCCn4ccnc4)n3n2)c1 4902554 DXGPUBNYRJNCBE-UHFFFAOYSA-N 408.509 5.070 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C(C)(C)C)CC4)c(C)c1 5214438 XMMHCOQJYRWDMU-KRWDZBQOSA-N 411.567 6.001 0 40 HKAB S=C(Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)NC1CC1 6045338 PXJFEGQMAJUWPB-UHFFFAOYSA-N 408.577 5.536 0 40 HKAB CCOc1cc(CNC2CCCCCCC2)cc(Cl)c1OCc1ccc(F)cc1 7523362 NAZABQFUWHCJPK-UHFFFAOYSA-N 419.968 6.659 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(C3CC3)n2C2CC2)c2ccccc2)c1 8328654 CFCRYEHEKSNNQS-OAQYLSRUSA-N 418.566 5.579 0 40 HKAB COc1ccc(NC(=O)c2ccccc2CSc2nc(C)cc(C)n2)cc1Cl 8428116 NKIYFCCFTLCSIQ-UHFFFAOYSA-N 413.930 5.300 0 40 HKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 8500094 YLHAYZWEPPDKAI-FQEVSTJZSA-N 416.304 6.582 0 40 HKAB CCN(CC)CCOC(=O)C(O)(C1CCC(C(C)C)CC1)C1CCC(C(C)C)CC1 8637653 AVHCGSIBPILMCF-UHFFFAOYSA-N 423.682 5.527 0 40 HKAB Cc1ccc([C@H]2c3c(-c4ccc(C)cc4O)n[nH]c3C(=O)N2Cc2ccccc2)cc1 8845751 UBUZBCNKVMYHJZ-VWLOTQADSA-N 409.489 5.145 0 40 HKAB CCOc1cccc2cc(C(=O)Nc3cc(-c4ccccc4)sc3C(=O)OC)oc12 8960816 RMQQRLLYHDKYKH-UHFFFAOYSA-N 421.474 5.599 0 40 HKAB O=C(CCSc1ccccc1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 9241746 ROMMWTSENLBGCD-UHFFFAOYSA-N 423.538 5.546 0 40 HKAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 10729326 ZIRYOYJEKIWWPN-ZDUSSCGKSA-N 424.324 5.067 0 40 HKAB Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)[C@H]3CC=CCC3)cc2)on1 12159097 KQIUVVKRYIOLSR-FQEVSTJZSA-N 416.525 5.203 0 40 HKAB Cc1cc(Br)c2c(c1)C(c1ccccc1)=NNC(c1ccc(Cl)cc1)=N2 12484933 LGVCDAJTBZRDSC-UHFFFAOYSA-N 424.729 5.845 0 40 HKAB COc1ccccc1[C@@H](c1c(NC(=O)c2ccco2)sc(C)c1C)N1CCCCC1 12746930 AEBGIIDZWBBPPW-QFIPXVFZSA-N 424.566 5.794 0 40 HKAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c(Br)c1 12790553 CHVCPLUPKDGMKL-UHFFFAOYSA-N 413.319 5.213 0 40 HKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1sccc1-c1ccccc1 12892549 LTCIHDSZMHQNKA-UHFFFAOYSA-N 419.333 5.433 0 40 HKAB Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccc(OC(F)F)cc3)c12 12899741 ZYUNGCUHKHINIQ-UHFFFAOYSA-N 401.394 5.113 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1nc(SCc2ccc(Cl)cc2)ncc1Cl 13623712 YZCKLPQCEKFIGY-UHFFFAOYSA-N 424.740 5.981 0 40 HKAB CCCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1 13635058 MEUQLVRONBFNOC-HSZRJFAPSA-N 419.525 5.456 0 40 HKAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccccc1N1CCCCC1 14771505 KTLGDUJQKOZCRR-UHFFFAOYSA-N 411.452 5.181 0 40 HKAB Cc1cc(C)c(NC(=O)Cn2nc(C3CCCCC3)n(-n3cccc3)c2=S)c(C)c1 16777924 JLDMCMDCVFNLRB-UHFFFAOYSA-N 423.586 5.139 0 40 HKAB COc1ccc(-n2c(SCc3c(F)cccc3F)nnc2-c2cccc(C)c2)cc1 16788979 SRSYIZARFBVBIS-UHFFFAOYSA-N 423.488 5.822 0 40 HKAB CC(C)(C)c1cc(C(=S)N2CCN(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O 19842675 QWFVFMLRIGISJQ-UHFFFAOYSA-N 424.654 5.481 0 40 HKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20499319 FPDYOASGSWXRLL-QHCPKHFHSA-N 406.913 6.264 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 20728180 VSHVYXBQBWQNHO-INIZCTEOSA-N 401.253 5.028 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c1 21578854 YMCCRMCWSXJDHQ-UHFFFAOYSA-N 414.505 6.054 0 40 HKAB COP(=O)(Cc1cc(OCc2ccccc2)ccc1OCc1ccccc1)OC 22058033 ZJAZZTJXQSSAMZ-UHFFFAOYSA-N 412.422 5.831 0 40 HKAB in-vitro O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(C(F)(F)F)cc2)s1 22535563 JLQWTOYJEOAJGG-UVTDQMKNSA-N 409.820 5.546 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@@H](NCc1ccc(CN2CCCC2)cc1)c1ccccc1 23957063 DIBYVCTXLCRNOC-MHZLTWQESA-N 423.560 5.478 0 40 HKAB Cc1cccc2c1NC(=O)[C@]21NC[C@@H](c2ccccc2Cl)c2c1[nH]c1ccccc21 25686069 CCFQSLGUMVNBMA-GKVSMKOHSA-N 413.908 5.061 0 40 HKAB CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)c(C)c1 33292560 XJWRZEPFCCACFV-UHFFFAOYSA-N 414.303 5.320 0 40 HKAB CCCCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2Cl)C1=O 35042147 HPHQVSXEEFYEPI-CPNJWEJPSA-N 401.915 5.755 0 40 HKAB CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3cc(C)oc3C)nc12 36676081 QLSMRBIZSDBJAO-UHFFFAOYSA-N 407.495 5.147 0 40 HKAB CC(C)c1ccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 38833719 GLHINZBFWJINBA-UHFFFAOYSA-N 415.375 5.423 0 40 HKAB Cc1cccc(Cn2c(SCC(=O)Nc3ccccc3C)nc3ccccc32)c1 41076836 WRSJZXYWHKPGPP-UHFFFAOYSA-N 401.535 5.432 0 40 HKAB Cc1ccc(-c2cnc(SC3CCCC3)n2-c2cccc(C(F)(F)F)c2)cc1 44087771 HECPIDVSPYOISH-UHFFFAOYSA-N 402.485 6.901 0 40 HKAB CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(C(C)C)cc2)C1 44803583 ZDBBKDIZHGBFFF-LJQANCHMSA-N 418.541 5.007 0 40 HKAB COc1ccccc1Cn1c(SCc2cccc(C)c2)nc2ccccc2c1=O 67258418 CPDYCVFWJUBUDK-UHFFFAOYSA-N 402.519 5.054 0 40 HKAB COc1ccc(Cn2c(SCc3cc(C)ccc3C)nc3ccccc3c2=O)cc1 67258817 PJDJRQZAGHDRHR-UHFFFAOYSA-N 416.546 5.363 0 40 HKAB Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)c(C)c1 67294856 CDHVTXCFUIYEGH-PNHLSOANSA-N 417.896 5.891 0 40 HKAB CSc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc1 67297067 ZKMHOGARBXNQRE-IZHYLOQSSA-N 400.503 5.948 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(SC(C)(C)C)nc2)cc1 72217400 ZOYIKILGRUYVQC-IBGZPJMESA-N 404.601 5.197 0 40 HKAB CC(=O)Nc1ccc(CN2CCC[C@H](c3cncc(-c4cccc(Cl)c4)n3)C2)cc1 72359721 FTAXIIBXSLIIBK-FQEVSTJZSA-N 420.944 5.135 0 40 HKAB C[C@]12CN(Cc3ccccc3)C[C@@](C)(CN(Cc3ccccc3Br)C1)C2 100509544 PLQAUTSTPBCGLO-GOTSBHOMSA-N 413.403 5.183 0 40 HKAB CC(C)(C)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 103718394 XSSQEYGRGUQBQB-ZDUSSCGKSA-N 405.325 5.283 0 40 HKAB COc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1ccccc1Cl 108210662 FIVMDWJVDQKVGQ-UHFFFAOYSA-N 424.393 5.988 0 40 HKAB Cc1ccccc1[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 216291836 WBEJHASDSNEYOG-JOCHJYFZSA-N 400.305 5.586 0 40 HKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1Cc1ccccc1 222916826 KEPCUWTZSIAIPT-DNQXCXABSA-N 418.610 5.177 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1Oc1ccccc1 222924408 ZZCTVZQTWMUAGA-HSZRJFAPSA-N 403.522 6.573 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1C(C)C 223332056 DAMKEWVBYNFXSR-OALUTQOASA-N 405.538 5.925 0 40 HKAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccc(Cl)cc1 224158333 MMZHYKLMGUJMJK-UHFFFAOYSA-N 403.812 5.458 0 40 HKAB CCCCOCc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OC 224442978 ZFBJQPKEJNORPK-UHFFFAOYSA-N 415.839 5.936 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccccc1OC 224583744 OABVRKAYBZYJJI-KRWDZBQOSA-N 423.484 5.303 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C1CCCC1 225026435 AYCZNKBIKWXXJH-VXKWHMMOSA-N 423.969 5.910 0 40 HKAB O=C(c1snnc1-c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccccc1 225780582 ACVJBDMAADLWSZ-UHFFFAOYSA-N 403.482 5.187 0 40 HKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC)c2ncccc12 225906847 FFYDQIOWXBMLEG-UHFFFAOYSA-N 400.563 5.830 0 40 HKAB Clc1ccc(-c2ccc(CNc3cc(Cl)ccc3N3CCOCC3)o2)cc1 226240298 XAPYYWRLENKRIB-UHFFFAOYSA-N 403.309 5.702 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccc(F)cc2)cc1 408696574 CIJUQGIIKXCOCX-UHFFFAOYSA-N 422.463 5.787 0 40 HKAB COc1cccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1O 408808704 NANSQRITAZRGOU-HIKCKZAASA-N 423.558 5.455 0 40 HKAB COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccc(Cl)cc1 409106236 NCPXZRILIMFQKW-XKZIYDEJSA-N 423.921 6.013 0 40 HKAB CCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)cc1 409198386 FJLJCEKSFCHKNP-UHFFFAOYSA-N 424.522 5.127 0 40 HKAB COc1ccc(C(C)C)cc1CN1CCCCCCN(C(C)=O)c2ccccc2C1 643562994 BWSHPXAECBKVRC-UHFFFAOYSA-N 408.586 5.748 0 40 HKAB C[C@@H](N[C@H]1CCCc2nc(-c3ccccc3F)sc21)c1ccc2nc(O)[nH]c2c1 675880180 YQUYCYCEMDJTQW-PXAZEXFGSA-N 408.502 5.259 0 40 HKAB CC(C)(C)P(Cc1ccccc1CP(C(C)(C)C)C(C)(C)C)c1ccccn1 1987970603 GAHSDHXCMWPMQY-UHFFFAOYSA-N 415.542 7.766 0 40 HKAB COc1ccc([C@H]2[C@H](Oc3ccccc3C)C(=O)N2c2ccc(C)c(C)c2)cc1OC 717825 HZISXYCFMQXQMF-DQEYMECFSA-N 417.505 5.165 0 40 HKAB Cc1cccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)c1C 919443 HTLWLZKOLJPTLT-PBHICJAKSA-N 404.392 5.006 0 40 HKAB O=C(Oc1c(-c2ccco2)oc2ccccc2c1=O)c1ccc(Cl)cc1Cl 1789878 FPACJZRESHCZLA-UHFFFAOYSA-N 401.201 5.579 0 40 HKAB FC(F)(F)Oc1ccc(Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 2582395 JZTPSMLCHZZMPO-UHFFFAOYSA-N 412.436 7.119 0 40 HKAB Cc1ccc(NC(=S)Nc2ccc(N(c3ccccc3)C(C)C)cc2)cc1Cl 2652174 ZRVUBNLKTRMWTH-UHFFFAOYSA-N 409.986 7.004 0 40 HKAB CN(C)CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 2714982 FIESONXUXFQCAP-UHFFFAOYSA-N 405.933 5.105 0 40 HKAB CCN(CC)c1ccc(C(=O)O[C@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1 3273441 DHUMJPNZVNDZLF-SANMLTNESA-N 415.533 5.931 0 40 HKAB Cc1cc(Cl)ccc1OCCCC(=O)OCc1csc(-c2ccccc2)n1 3295331 VYCCYDNOSBJIGE-UHFFFAOYSA-N 401.915 5.674 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1 3438025 QNTYYCBDFGTGHS-BUHFOSPRSA-N 407.517 6.116 0 40 HKAB COC(=O)c1ccc2nc(NC(=O)c3cccc(Oc4ccccc4)c3)sc2c1 4275327 HRSFCMIGBYSWIB-UHFFFAOYSA-N 404.447 5.128 0 40 HKAB CC(C)Cn1c(-c2ccc(C3CCCCC3)cc2)cs/c1=N\c1ccc(F)cc1 4492459 WWNCUDZODGUDNU-RFBIWTDZSA-N 408.586 7.292 0 40 HKAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C[C@H](C)CC3 4735766 DALOPPRTBIUXMW-OAHLLOKOSA-N 411.567 5.964 0 40 HKAB CCOc1ccc(/C=C/C2=NN(c3ccccc3)[C@H](c3ccc(OCC)cc3)C2)cc1 4995291 HGCXHTUNCYIQAW-ZOYLIWTNSA-N 412.533 6.505 0 40 HKAB CCOC(=O)Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccccc12 5106935 PSFLXEUMVRWSOX-UHFFFAOYSA-N 408.332 5.152 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)c(F)c2)cc1 5136654 RATZITOKULVYJM-FYYLOGMGSA-N 408.860 5.730 0 40 HKAB COc1ccc(CNCC[C@@]2(Cc3ccccc3Cl)CCOC(C)(C)C2)cc1 5297525 LBZBPKDJKRLGPE-DEOSSOPVSA-N 401.978 5.646 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]3N 5758831 WLHQSAYHIOPMMJ-KGZHIOMZSA-N 401.679 6.326 0 40 HKAB in-vitro O=C(NCc1ccc(F)cc1)c1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1 6112664 NTUVWIOPRCSAHX-UHFFFAOYSA-N 413.427 5.591 0 40 HKAB biogenic Cc1ccc(OCCOC(=O)c2oc3ccccc3c2COc2ccccc2)cc1 6164504 WTLFFWPERUUSRV-UHFFFAOYSA-N 402.446 5.556 0 40 HKAB O=C(c1ccccc1Cl)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@H]1c1ccco1 6473620 PWLRFSGCYPTTSM-CJUQLAJISA-N 406.869 5.963 0 40 HKAB CCCCOc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(C)cc32)cc1 6480927 QBHLCBUGMNNMQJ-UHFFFAOYSA-N 417.940 6.261 0 40 HKAB Cc1c(C(=O)N(Cc2ccc(Cl)cc2)Cc2ccco2)oc2ccc(Cl)cc12 6810596 FHIWQDCWJZCMJD-UHFFFAOYSA-N 414.288 6.484 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1 7073067 WFDUZIXYFPEPQT-GOSISDBHSA-N 414.505 6.334 0 40 HKAB COc1ccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1Cl 7687564 MRXMPLKAZYMOKM-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB O=C1O[C@@H](c2ccccc2)Cc2cc(C(=O)N3CCCSc4ccccc43)ccc21 7719204 VMSBJDPGSMLIIJ-JOCHJYFZSA-N 415.514 5.283 0 40 HKAB COc1cc2c(cc1/C=C/C(=O)N1CCC[C@H]1c1nc3ccccc3s1)O[C@@H](C)C2 7778045 PWRCQJFFXCOSSL-JJDZQTOISA-N 420.534 5.005 0 40 HKAB c1ccc(-c2nn(-c3ccccc3)c3c2[C@@H](c2ccncc2)Nc2ccccc2N3)cc1 7778750 AOEYHAGSWGGSRT-RUZDIDTESA-N 415.500 6.193 0 40 HKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccc(C(C)C)cc1 8367659 IQKKOEBYEWZAFV-UHFFFAOYSA-N 420.516 6.258 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1COc1ccccc1 8429343 XLGDAGAHUOQWJI-QGZVFWFLSA-N 402.519 5.709 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1SC(C)C 8496041 KOUJSPPRARFTDC-UHFFFAOYSA-N 407.604 7.040 0 40 HKAB Fc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 9281640 LQYWKXXDJLYOON-CVDCTZTESA-N 422.843 5.450 0 40 HKAB COc1ccccc1-n1c(-c2cccs2)nn(CN(C)Cc2ccccc2)c1=S 9466966 FHCHCJORJMXRLZ-UHFFFAOYSA-N 422.579 5.230 0 40 HKAB CC(C)c1nn2c3c(nnc2c1-c1ccc(F)cc1)C(=O)C[C@H](c1cccs1)C3 10156989 NJNIJXVJHISJPP-CQSZACIVSA-N 406.486 5.028 0 40 HKAB CN(C)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(Cl)cccc3s2)cc1 10187577 ZWUURQWNSLQAOY-UHFFFAOYSA-N 422.941 5.258 0 40 HKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1SCc1ccccc1 10337761 IJHLCXMZNNDXFP-UHFFFAOYSA-N 422.764 7.191 0 40 HKAB COc1ccc(C2=C[C@@H](c3ccccc3)[C@@H]3CCCC[C@@]34Nc3ccccc3N24)cc1 12656172 VCIWUKDDAJEZBS-QONNDPFASA-N 408.545 6.652 0 40 HKAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1csc(COc2ccc(F)cc2)n1 12904907 CPQSHVJLCREDGY-AWEZNQCLSA-N 410.470 5.441 0 40 HKAB O=c1cc(CN[C@H](CCCc2ccccc2)c2ccccc2)nc2ccc(Cl)cn12 13012083 GOFDLYZSKORCOU-HSZRJFAPSA-N 417.940 5.202 0 40 HKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)ccc2OC)N3)C1 15945369 RRZIGBJACPPHGS-QGHHPUGFSA-N 421.360 5.463 0 40 HKAB O=C(CSc1nc2c(c(-c3cccs3)n1)CCCC2)Nc1ccccc1Cl 16450342 BUTCXRJACAXFBU-UHFFFAOYSA-N 415.971 5.468 0 40 HKAB CC(=O)OCc1ccc(CN2CCCCC[C@@H]2c2cc(-c3cccs3)on2)o1 19023033 LCSBEJMZLSCFTB-LJQANCHMSA-N 400.500 5.177 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)c(C)c1 20110142 DTRQYSLOFQIIAY-MRXNPFEDSA-N 404.348 5.446 0 40 HKAB Cc1cc(NC(=O)COc2c(C)cc(Cl)cc2Cl)ccc1-c1ccc(CO)o1 20144549 ATUNRROUJGDXDS-UHFFFAOYSA-N 420.292 5.380 0 40 HKAB CC[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(OC)cc1 20493714 ZKJGEGGKZUGPOQ-XMMPIXPASA-N 421.562 5.747 0 40 HKAB O=C(NCCSCc1ccsc1)c1ccccc1SCc1cccs1 21963106 OVNBHCHIMLZKRM-UHFFFAOYSA-N 405.635 5.765 0 40 HKAB CC(=O)c1cccc(NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c1 23136585 LKUJCANXMAMYSX-UHFFFAOYSA-N 419.428 5.289 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1nn(Cc2ccccc2F)cc1Br 28579564 UXLQFOAMABIAHY-UHFFFAOYSA-N 423.673 5.130 0 40 HKAB O=C(CSc1nc(Cc2ccccc2)nc2ccccc12)Nc1ccccc1F 35290904 PKAXAWKJRAVLLR-UHFFFAOYSA-N 403.482 5.091 0 40 HKAB COc1c(CC=C(C)C)c(O)c(C(=O)O)c(CCc2ccccc2)c1CC=C(C)C 35465956 KTBAIBUBSGVINZ-UHFFFAOYSA-N 408.538 5.902 0 40 HKAB biogenic,in-vitro CC(=O)c1sc(NC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)nc1-c1ccccc1 40114755 JCVIKAKCJFLPIG-UHFFFAOYSA-N 422.506 5.322 0 40 HKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccc(F)cc2)cc1 44086965 INIQTCSAPIZZQT-UHFFFAOYSA-N 417.509 5.718 0 40 HKAB O=C(NCCCc1ccc(F)cc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 44906519 IBBVSWJOKURDLP-UHFFFAOYSA-N 423.359 5.094 0 40 HKAB CC(C)=C1[C@@H]2c3ccccc3[C@H]1[C@@]1(Cl)C(Cl)=C(Cl)S(=O)(=O)[C@]21Cl 45071351 XUKZDNARABUSEA-NOXHYTERSA-N 410.149 5.205 0 40 HKAB Cc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078867 VSNZWIYOGFCTFJ-UHFFFAOYSA-N 404.897 5.494 0 40 HKAB CC(C)(C)c1cc(NC(=O)c2cnc(Cl)c(Cl)c2)n(Cc2ccccc2)n1 58638241 ZNJPTHFMBNDEAK-UHFFFAOYSA-N 403.313 5.183 0 40 HKAB CCOC(=O)c1ccc(NCn2nc(-c3ccc(Cl)cc3Cl)oc2=S)cc1 59475374 BDNPNAKBPSAWPC-UHFFFAOYSA-N 424.309 5.426 0 40 HKAB COc1ccc(NC(=O)CSC2=NC3(CCCC3)Nc3ccccc32)cc1Cl 67341720 BMKPCIJGVXWXRP-UHFFFAOYSA-N 415.946 5.163 0 40 HKAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72214707 AJWSJIFRLWVWJC-GOSISDBHSA-N 419.566 5.695 0 40 HKAB CC(=O)Nc1ccc(CN2CCC[C@H](c3nccnc3-c3cccc(Cl)c3)C2)cc1 72359047 PKURZKJGPZWNPI-FQEVSTJZSA-N 420.944 5.135 0 40 HKAB COCCCN(C(=O)c1cc(C)oc1C)c1cccc(NC(=O)c2cc(C)oc2C)c1 79061337 RJPGVSAXZNCFGF-UHFFFAOYSA-N 424.497 5.042 0 40 HKAB C[C@@H]1CCCN1C1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1 89929865 MFMUEKDIZDPSSH-GOSISDBHSA-N 412.961 5.008 0 40 HKAB Cc1ccc([C@@H]2CC3=Nc4ccccc4N4C(=O)c5ccccc5[C@@H]4C3=C(O)C2)cc1 100424182 RUYMIXHFMUVAQO-WXTAPIANSA-N 406.485 6.172 0 40 HKAB Fc1ccc([C@@H]2C=C(c3ccccc3)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 100900607 PSDBGOMFXKCACQ-NRFANRHFSA-N 402.860 5.794 0 40 HKAB Cc1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3nn(-c4ccccc4)c(O)c32)cc1 101812360 VTWIZXSNNGFUPC-HXUWFJFHSA-N 405.457 5.435 0 40 HKAB CCOc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Br)c1OCC 106957019 VNSRBZJSNDKCEZ-UHFFFAOYSA-N 419.146 6.165 0 40 HKAB CO[C@H]1C=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CC[C@H](C)C(C)C)[C@@]2(C)CC1 118932398 FRZGUFBZIFOIRD-UONQFXLWSA-N 414.718 8.289 0 40 HKAB COc1ccc(/C=C(/C(=O)N[C@H](C)c2cc(OC)ccc2OC)c2ccccc2)cc1 222676113 JLSVUZRVHSWQFM-WCIBBKAISA-N 417.505 5.130 0 40 HKAB S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1ccc(N2CCCC2)nc1 223978196 WHHQUKPRDTXKQX-UHFFFAOYSA-N 415.006 5.134 0 40 HKAB CCCc1ccc(OCCNC(=O)N2c3ccccc3Sc3ccccc32)cc1 224317366 ZDAVACRPBSJRRO-UHFFFAOYSA-N 404.535 6.030 0 40 HKAB CCCCc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1 224560033 PNMBTBCDLFPMJU-QJOMJCCJSA-N 402.494 5.340 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1CSc1ccccc1 224654091 KFOZRHKCOURQFS-UHFFFAOYSA-N 421.518 5.417 0 40 HKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 225025558 NDCFKENMNLZKBB-RUZDIDTESA-N 420.597 5.102 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1 225511152 CPQCEDNTPPYNOB-QHCPKHFHSA-N 418.562 5.556 0 40 HKAB FC(F)(F)c1cc(NC(=S)NCCCc2ccccc2Cl)ccc1Cl 225540389 JHOYGZSVZXFJPM-UHFFFAOYSA-N 407.288 5.931 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 225555968 LBWXNHLFQFNOOJ-UHFFFAOYSA-N 420.380 6.869 0 40 HKAB COc1ccc(C2(C(=O)Nc3ccc(OCc4ccccc4)cc3)CCCCC2)cc1 225558500 MBSCFKJJSLNMIH-UHFFFAOYSA-N 415.533 6.115 0 40 HKAB CCOC(=O)c1cc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)ccc1Cl 225765787 ALQNWIDOTNHIRO-HXUWFJFHSA-N 418.990 5.817 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2ccccc12 225775454 NRTMCKMUCCPVQQ-UHFFFAOYSA-N 407.485 5.455 0 40 HKAB CC(C)Cn1nc(-c2cc(Cl)ccc2OCC(=O)O)cc1-c1ccc(Cl)cc1 257293178 QOLGTFLUKCRMKB-UHFFFAOYSA-N 419.308 5.643 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccccc2C)cc1 408698200 MCJWZNKUUZBNMR-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2ccccc2)c1 408698643 QUAFMSZITWFTPN-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(COc2c(Cl)cc(CNc3cc(Cl)ccc3C)cc2Cl)cc1 409109931 OCFVZXFCDCCVQU-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1cccc(F)c1 409110376 VMPSHMYZPDWNHM-UHFFFAOYSA-N 413.920 6.686 0 40 HKAB CCc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)cc1 409110593 FGIPGOFRVKNCLC-UHFFFAOYSA-N 404.312 6.886 0 40 HKAB CCc1ccc(NCc2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 409115086 JXSJEVXDYLMRFG-UHFFFAOYSA-N 401.937 7.247 0 40 HKAB CCN1C(=O)S/C(=C\c2cn(CCCOc3ccc(C)cc3)c3ccccc23)C1=O 409131663 YPEHLZWHCIABPQ-JCMHNJIXSA-N 420.534 5.475 0 40 HKAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O 409240896 LYRKCFBBXQGAGD-LICLKQGHSA-N 423.271 5.014 0 40 HKAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)c(C)c1 409373306 GVLQQRRWQPEREE-UDWIEESQSA-N 422.550 5.410 0 40 HKAB C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)/C=C\c5ccccc5)CC[C@@]43C)[C@@H]1CCC2=O 1889180418 BHWKXKHBCVBVDP-BEIIMLHUSA-N 418.577 6.144 0 40 HKAB COc1ccc(OC)c(NC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)c1 682365 RIUIAGFBPZFYOV-VIFPVBQESA-N 404.677 5.070 0 40 HKAB Cc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c2c3c(sc2n1)CCC3 707027 UYJUQXCOGJRESO-UHFFFAOYSA-N 423.485 5.238 0 40 HKAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccccc1F 901235 XPVHZXAOCCSJQL-GFCCVEGCSA-N 421.419 5.421 0 40 HKAB COc1ccccc1NC(=S)NCC[C@H]1[C@H](c2c(C)[nH]c3ccccc23)C1(C)C 1404492 SZVVNAMIEFMNIP-HTAPYJJXSA-N 407.583 5.601 0 40 HKAB COc1ccc2c(=O)c(-c3csc(-c4ccccc4)n3)c(C(F)(F)F)oc2c1 1516494 ALDCVMJDRNGUAR-UHFFFAOYSA-N 403.381 5.611 0 40 HKAB Cc1ccc(-c2cn3nc(-c4ccc(Br)cc4)n4c3c2CCCC4)cc1 1767310 MRWLNGCRMBMKLF-UHFFFAOYSA-N 406.327 5.877 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)c(C)c1 2056958 XICWXVBVEODISY-UHFFFAOYSA-N 422.937 6.251 0 40 HKAB Cc1ccccc1NC(=O)N(CCO[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C1CCCCC1 2223354 VUGPATWMNVUEQK-SEIBCYHCSA-N 412.618 6.393 0 40 HKAB COc1ccc2c(c1)c(C(=O)CN1C[C@H](C)C[C@@H](C)C1)c(C)n2Cc1ccccc1 2249671 FXYHGMRVYYMCIG-RTBURBONSA-N 404.554 5.167 0 40 HKAB CCCCOc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 2272677 MYWGOZACRSWMKV-UHFFFAOYSA-N 419.550 5.937 0 40 HKAB Cc1ccc(OP(=O)(Nc2cccc3nsnc23)Oc2ccc(C)cc2)cc1 2290874 AXABMCLZMPZLHA-UHFFFAOYSA-N 411.423 5.986 0 40 HKAB Cn1c(SCc2cccc(C(F)(F)F)c2)nc2sc3c(c2c1=O)CCCC3 2399041 YVDMFKVXTPVKRA-UHFFFAOYSA-N 410.486 5.185 0 40 HKAB COc1ccccc1[C@H](CC(=O)NCc1ccccc1)c1ccc(OC(C)C)cc1 2406573 ZIZYVANICUDVDW-XMMPIXPASA-N 403.522 5.321 0 40 HKAB Cc1cc(C)cc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)c1 3012935 IWODOQXIBVYLKE-WBVHZDCISA-N 404.392 5.006 0 40 HKAB CN(C(=O)c1cccc(C(F)(F)F)c1)[C@]1(c2ccccc2Cl)CCCCC1=O 3236260 ZJYWHOAGPJLHGT-FQEVSTJZSA-N 409.835 5.469 0 40 HKAB CCOc1cccc(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1 3655550 RJMDGTSKTJXUMB-UHFFFAOYSA-N 403.409 5.454 0 40 HKAB CC(=O)[C@@]12CCCC[C@@H]1C[C@@H]1[C@@H]3C[C@H](C)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 4081301 YYJQALYDDZZWSF-WUSOCJSPSA-N 400.603 5.335 0 40 HKAB biogenic Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C[C@H]2c2ccccc2Cl)cc1 4174063 HHDDIGSURDWFGG-QFIPXVFZSA-N 410.926 5.188 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(Cl)c2Cl)N3)C1 4554570 UPLWCKTUEVEBBQ-BBATYDOGSA-N 423.409 7.025 0 40 HKAB CCOc1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3Cl)SC2)cc1 4598316 PKFFOBMYTOUYSC-UHFFFAOYSA-N 405.310 5.009 0 40 HKAB CCC(C)(C)[C@@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4ccccc4)cc3c2C1 4735819 NMRWMICEXCXJHI-QGZVFWFLSA-N 411.567 6.083 0 40 HKAB CC(C)CN1C(=S)SC(C)(C)[C@H]1N(O)C(=O)Nc1cccc2ccccc12 4795219 LTXLRSHZUZMEJV-QGZVFWFLSA-N 403.573 5.157 0 40 HKAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1Cl 5032986 OUZVVRIXOLAXSU-CJAUYULYSA-N 402.258 5.081 0 40 HKAB Cc1ccc(SCCC(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 5191226 QSAMVAWGDKTJRO-UHFFFAOYSA-N 412.536 5.011 0 40 HKAB COc1ccc(Cl)c(N2C[C@H](c3nc4ccccc4n3CCC(C)C)CC2=O)c1 5235940 KXXKCMZKKSHORP-MRXNPFEDSA-N 411.933 5.265 0 40 HKAB COc1ccc([C@H](c2c(O)ccc3ccccc23)c2cccc3cccc(O)c23)cc1 5527059 ATQHFGVNYKEZPX-MHZLTWQESA-N 406.481 6.593 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)cc1 5977370 GHOHOKHRZDEPQB-UHFFFAOYSA-N 416.477 5.888 0 40 HKAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NC(c1ccccc1)c1ccccc1 6289047 CPHLKZUQVCHIDW-MRXNPFEDSA-N 410.311 5.122 0 40 HKAB O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12Nc1ccccc1-c1nc3ccccc3n12 6383095 DVNJNLDCRNZAEJ-NRFANRHFSA-N 407.260 5.089 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 6475913 GVFXRJRXWXXRNC-DTQAZKPQSA-N 416.933 6.782 0 40 HKAB O=C(/C=C/c1ccccc1)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 6529026 UIIFCELNCACVNY-JLHYYAGUSA-N 401.849 5.765 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)c(Cl)c1 6844364 KQCAJZIEVBSWNB-UHFFFAOYSA-N 410.351 5.347 0 40 HKAB Cn1c(-c2ccccc2)c([C@@H]2c3ccccc3C(=O)N2C2CCCCC2)c2ccccc21 6896154 GLZNSCMAFQGSFB-NDEPHWFRSA-N 420.556 6.723 0 40 HKAB Cc1cc(C)cc(-n2c(SCc3cccc(Cl)c3)nc3ccccc3c2=O)c1 6903634 KQJTXBRFWDETFZ-UHFFFAOYSA-N 406.938 5.948 0 40 HKAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC(c2nc3ccccc3s2)CC1 8039782 JBWTYDFXWZCHDR-UHFFFAOYSA-N 406.482 5.715 0 40 HKAB O=C(CCCSc1nnc(-c2ccco2)n1C1CCCCC1)c1cccs1 8719415 VLPGHKOFXVXPHF-UHFFFAOYSA-N 401.557 5.860 0 40 HKAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1nnc(-c2cccc(Cl)c2)o1 9367743 WLMAYIQIBRGYCJ-CYBMUJFWSA-N 423.929 5.701 0 40 HKAB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1cc2c(s1)CCCCC2 9460200 NGUSYWYUYZVKGM-UHFFFAOYSA-N 418.975 5.202 0 40 HKAB COc1ccc(Br)c(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 9467368 BKJLSXZZBMHWIZ-UHFFFAOYSA-N 422.282 5.253 0 40 HKAB CCCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C1=CCCC1 9576889 MMMCGRRTUTVIEB-UHFFFAOYSA-N 421.570 5.160 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 10120126 NCVLVHFIDJZFOF-UHFFFAOYSA-N 414.505 5.734 0 40 HKAB CCCc1cc(C(=O)OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)sc1C 12175878 WUKBKCHGEPTLPU-UHFFFAOYSA-N 419.852 5.477 0 40 HKAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cs1 12617495 CXFZPWULTITKQJ-UHFFFAOYSA-N 421.566 5.519 0 40 HKAB O=C(c1csc(-c2ccco2)n1)N(CCc1cccs1)Cc1cccs1 12987417 IRXLSHMZDVYXEJ-UHFFFAOYSA-N 400.550 5.411 0 40 HKAB C[C@H](NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(Cl)cc1Cl 12997002 GOARCYNOWLJIRA-AWEZNQCLSA-N 420.340 5.115 0 40 HKAB CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 13684744 PEFTYKWDCNLXKR-UHFFFAOYSA-N 402.494 5.048 0 40 HKAB Cc1ccc(C)c(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2C)c1 13777207 POCIQHZKFUJDRU-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 14401046 KBOKDSGQOOADLG-QHCPKHFHSA-N 407.535 5.784 0 40 HKAB CC(C)=CCOc1ccc(-c2coc3cc4c(c(O)c3c2=O)C=CC(C)(C)O4)c(O)c1 14637760 JVMXBCHVJJXDDN-UHFFFAOYSA-N 420.461 5.400 0 40 HKAB biogenic,in-vitro C[C@@H]1C[C@@H](NC(=O)c2cccc(C(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 15134476 GEDYDMDWVRNOIZ-GMQQQROESA-N 412.618 5.576 0 40 HKAB O=C(Oc1ccccc1Br)c1ccc(-c2cccc(C(F)(F)F)c2)o1 16044024 SLGKJCNQMNJERG-UHFFFAOYSA-N 411.173 5.947 0 40 HKAB COc1ccc(S[C@H](C)C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1OC 20108716 ODGPOVPAYNXBKP-KOSHJBKYSA-N 421.562 5.399 0 40 HKAB O=C(O)Cc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 20150898 YGBNULJQYXTMEV-JXMROGBWSA-N 416.260 5.532 0 40 HKAB O=C(Nc1nccs1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20727724 LZSSCUAXHVJBPH-HXUWFJFHSA-N 417.534 5.229 0 40 HKAB O=C(Nc1ccccc1Cl)c1cccnc1Nc1cccc(Br)c1 22072402 SQOABTMYNQCTFD-UHFFFAOYSA-N 402.679 5.493 0 40 HKAB COc1ccccc1CNC(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1 22073048 SIGWTCGTCGDVOH-UHFFFAOYSA-N 402.281 5.071 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1cccc(OCc2ccccc2Cl)c1 22258106 WXFNMGYZWZAJGS-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB Cc1nc(C2CC2)nc2sc(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)c(C)c12 22990549 NVSWZEYOQHOIHW-UHFFFAOYSA-N 419.472 5.477 0 40 HKAB COc1ccccc1[C@H]1N=C(c2ccc(Br)cc2)[C@H]2[C@@H](c3ccccc3)N12 25504214 IPKXJAZVJRQVSG-USDJYLPVSA-N 419.322 5.385 0 40 HKAB Cc1ccc(N(CC(=O)c2ccc(C3CCCCC3)cc2)C2=NCCCS2)cc1 26442120 LONCHPVXUFDIPG-UHFFFAOYSA-N 406.595 6.225 0 40 HKAB CCOc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)c1 27584020 SRUMEJUGIYORLC-JOCHJYFZSA-N 400.950 5.086 0 40 HKAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)no2)cc1C 32623988 NHYGVSWNVGCHNJ-JOCHJYFZSA-N 423.944 5.179 0 40 HKAB CCOc1ccc(Oc2ccc(NC(=O)CCSCc3ccccn3)cc2)cc1 40152573 LGWNTYNDOUTADO-UHFFFAOYSA-N 408.523 5.535 0 40 HKAB Cc1ccc(-c2csc3c(=O)n(Cc4cccc(Br)c4)cnc23)cc1 49002874 JKHLSPLTJACHMZ-UHFFFAOYSA-N 411.324 5.244 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(Cn3cnc(C(=O)Nc4ccccc4C)c3)cc2)cc1 49422219 HDUYQYLZDZLDTA-UHFFFAOYSA-N 424.504 5.053 0 40 HKAB O=C(Nc1nc2c(s1)C(=O)CCC2)c1ccccc1-c1ccc(C(F)(F)F)cc1 60362230 AGMXWMBAAKLCOA-UHFFFAOYSA-N 416.424 5.600 0 40 HKAB O=C(c1ccccc1)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359338 MOXHOAINHYEDEL-GOSISDBHSA-N 411.427 5.182 0 40 HKAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cccc(C2SCCS2)c1 84064414 KIRYDYPKRMVUQT-UHFFFAOYSA-N 412.605 5.773 0 40 HKAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccccc3SC(F)(F)F)cc2F)n1 95364846 RYKUQIZPRIZGDF-UHFFFAOYSA-N 409.408 5.492 0 40 HKAB Cc1noc2c1[C@@H](c1ccc(O)cc1)C1=C(O)C[C@@H](c3ccc(Cl)cc3)CC1=N2 102726476 CZKNMTLOUFCOHR-YCRPNKLZSA-N 406.869 5.950 0 40 HKAB COc1cccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(F)cc4)CC(O)=C32)c1 103873941 NEQVDAFUFPKRRR-WXTAPIANSA-N 414.480 6.463 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1CSc1ccccc1 224325075 IKIWFSGEIOJLSE-UHFFFAOYSA-N 418.345 6.547 0 40 HKAB CCc1ccccc1NC(=O)c1ccc(OC)c(CSc2ccc(Cl)cc2)c1 224347108 PWIRCWJVWCULJL-UHFFFAOYSA-N 411.954 6.456 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccccc1OC 224575051 HRJIBOMPLWNPNM-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(CN2CCCCC2)c1 224683693 LXVPGJQXVDEZHS-QFIPXVFZSA-N 417.018 5.513 0 40 HKAB CC(C)c1ccc(NC(=O)CCc2ncc(-c3cccc(Br)c3)o2)cc1 224884993 IULGHQYIKXZQKA-UHFFFAOYSA-N 413.315 5.799 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CCc3ccc(Cl)cc3)c2)cc1 225306791 OIHNIHDCJGQOBN-UHFFFAOYSA-N 419.952 6.440 0 40 HKAB Cc1cc(NC(=S)N[C@@H](C)CC(C)(C)c2ccccc2)ccc1Br 225659345 QKTMCDOTWIATOM-HNNXBMFYSA-N 405.405 5.800 0 40 HKAB Cc1cc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)ccc1Br 225659368 QKTMCDOTWIATOM-OAHLLOKOSA-N 405.405 5.800 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)ccc1OCC 225759871 KLONBGIWVCVZGK-UHFFFAOYSA-N 409.526 5.411 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1snnc1-c1ccc(Cl)cc1 225770206 VAKZWFXXXFBYRH-UHFFFAOYSA-N 418.227 5.783 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C)n1 225870763 CSBVCXJARBMPBX-UHFFFAOYSA-N 421.368 6.326 0 40 HKAB Cc1cc(N)cc(Cl)c1NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1 227145835 MKLRCEZHZIFMIQ-SOFGYWHQSA-N 421.711 6.449 0 40 HKAB CC[C@](C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)(C(=O)c1ccccc1)c1ccccc1 245241012 WIASCYIKGZAQQR-WJKQRCEYSA-N 406.566 6.221 0 40 HKAB Cc1cc(S(=O)(=O)Nc2cccc3ccccc23)ccc1NC(=O)c1ccccc1 408611866 XEIVPJXGMKCZMR-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(Cl)cc2)c1 408696296 ZKGYUJNRAHWGSB-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB C[C@@H](NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2)c1ccccc1 409167792 NHDBOUACFMYXBR-LRNDVGEGSA-N 422.572 6.474 0 40 HKAB Brc1cccc(-c2nn3c(CSCc4ccccc4)nnc3s2)c1 1501040071 ADOWPZIHPZPXRB-UHFFFAOYSA-N 417.357 5.049 0 40 HKAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1ccc(OC)c(OC)c1 953653 XPGBTCIKOUHLNY-UHFFFAOYSA-N 400.862 5.134 0 40 HKAB CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(N2CCCCC2)cc1 953670 LOBZAJIPLHAEFS-UHFFFAOYSA-N 405.498 5.154 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)cc1 989745 WJCWBRPIMHDGBF-UHFFFAOYSA-N 400.478 5.692 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(Cl)cc4)no3)C2)cc1 1363768 QXMHQRHRALXGEH-SFHVURJKSA-N 423.944 5.707 0 40 HKAB O=C1[C@H]2CCCN2c2ccc(C(F)(F)F)cc2N1Cc1cccc(C(F)(F)F)c1 1395288 SNDVSLBFWSYKHP-MRXNPFEDSA-N 414.349 5.240 0 40 HKAB COc1ccc([C@H](CC(=O)c2ccco2)Sc2cccc3cccnc23)cc1OC 1463201 ACNGCUNXAIQROK-QHCPKHFHSA-N 419.502 5.951 0 40 HKAB O=C1c2cccc3cccc(c23)[C@H]1C(c1ccccc1)[C@H]1C(=O)c2cccc3cccc1c23 2184578 YKIFECBUSDHHTD-VMPREFPWSA-N 424.499 7.037 0 40 HKAB FC(F)(F)Oc1ccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1 2238457 HJQWFXLWVPORSO-UHFFFAOYSA-N 406.367 5.534 0 40 HKAB CCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@H](C(C)(C)C)C3 2275991 ZTLZUEJQVYKZKD-HNNXBMFYSA-N 412.624 6.019 0 40 HKAB Cc1sc2ncnc(S[C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)c2c1C 2623017 QKORAKPAZVAEGI-JTQLQIEISA-N 412.367 5.734 0 40 HKAB FC(F)Oc1ccc(-c2c[n+](-c3ccc(OC(F)F)cc3)c3n2CCCCC3)cc1 2684319 DFNODSOREICOOT-UHFFFAOYSA-N 421.414 5.361 0 40 HKAB CC(C)c1ccccc1NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 3216530 ZBRJOHZUTLCEJO-UHFFFAOYSA-N 409.570 6.201 0 40 HKAB O=C(Cc1ccc(Cl)cc1)O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 3363784 XAWCLBLWPVVZLW-XMMPIXPASA-N 403.865 5.531 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1Oc1ccccc1 4034025 BJHBYHXWGULTHH-UHFFFAOYSA-N 405.457 6.275 0 40 HKAB COc1ccc(C(=O)C[C@H](Sc2cc(OC)ccc2OC)c2ccccc2)cc1 4568165 QALCQLLHINUJJJ-QHCPKHFHSA-N 408.519 5.819 0 40 HKAB C[C@H]1CCc2c(oc3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc23)C1 4647274 JASMFLWEORXFJF-LBPRGKRZSA-N 420.328 5.121 0 40 HKAB CCCc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)[C@H](C)[C@@H]2CC)cc1 4663736 JAOGGJZRZKWTLZ-ZBKJKTKLSA-N 412.577 6.867 0 40 HKAB COc1ccccc1[C@H]1CC(c2cccs2)=NN1c1cccc(Br)c1 4712863 ZEKUKBYQUAFFPB-GOSISDBHSA-N 413.340 5.875 0 40 HKAB CCCCc1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2c1 4723998 QMSABWCNLMOMSE-UHFFFAOYSA-N 400.547 6.410 0 40 HKAB Cc1ccc([C@H]2CC(=O)c3cnc(Nc4nc(C)c5cc(C)c(C)cc5n4)nc3C2)cc1 4777054 CGILGDFOAFWMQV-LJQANCHMSA-N 423.520 5.310 0 40 HKAB COc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2C(=O)CC(C)C)cc1 4816880 USYZZHXKEWYXNK-LEWJYISDSA-N 424.932 5.054 0 40 HKAB CCCCCc1ccc(OCCCC[n+]2cn(C)c3ccccc32)c(C(C)(C)CC)c1 4893681 WLIIPHGZJJKGIG-UHFFFAOYSA-N 421.649 6.745 0 40 HKAB O=C(Nc1ccc2nc(NC(=O)c3ccc(F)cc3)sc2c1)c1ccc(F)cc1 5195989 UXDJYNRRHPJPBR-UHFFFAOYSA-N 409.417 5.079 0 40 HKAB O[C@]1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NN1c1nc2ccccc2s1 5274501 ZACLFOLIFGNIPY-FQEVSTJZSA-N 413.424 5.315 0 40 HKAB COc1cccc(-c2c(NC(=O)c3ccc(Cl)cc3)n(C)c3ccccc3c2=O)c1 5307655 OCIXRCFUPSPGMU-UHFFFAOYSA-N 418.880 5.120 0 40 HKAB CCc1c(C)sc(NC(=O)Nc2ccc(Cl)c(Cl)c2)c1C(=O)OC(C)C 5477142 BZWYWHYTVOCRDJ-UHFFFAOYSA-N 415.342 6.135 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 5481722 VUCDSTCRVYGRSG-XCIVKYIWSA-N 400.647 6.568 0 40 HKAB CCOc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccc4ccccc34)=NN21 5546029 VGVSVSLLPGUTSD-LBNVMWSVSA-N 420.512 6.481 0 40 HKAB CC(C)c1ccc(-c2nc3c(Br)c(N)c(Br)cc3o2)cc1 6239435 PHWHEXUSISKNNQ-UHFFFAOYSA-N 410.109 5.725 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc2c(c1)oc1ccccc12 6277072 YGTZGOJCNQGPSU-KPKJPENVSA-N 406.894 5.766 0 40 HKAB C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1ccc(Cl)cc1 6543489 WCYJUWVQGVYMMV-NSHDSACASA-N 407.973 5.436 0 40 HKAB Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1CCC1=CCCCC1 6578342 UKJIEBVZDOMKQS-UHFFFAOYSA-N 405.498 5.307 0 40 HKAB CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccccc1C 7043899 WFKCSIXCBVEZMQ-UHFFFAOYSA-N 416.344 5.011 0 40 HKAB CCCCNCc1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1 7261625 FTPSNZOHMSPWMQ-UHFFFAOYSA-N 410.327 5.456 0 40 HKAB COc1ccc(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 7597511 BYGJCDDWAMBIJQ-UHFFFAOYSA-N 411.910 5.310 0 40 HKAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 8041725 PXHDFWGPFYZDBU-HTAPYJJXSA-N 420.484 5.113 0 40 HKAB CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccccc1C 8090451 FZDJFQOHDOQXIC-UHFFFAOYSA-N 416.550 5.081 0 40 HKAB Cc1sc2nc([C@@H](C)Oc3ccc(Cl)cc3Br)[nH]c(=O)c2c1C 8136269 BRMVQKFNLJQNBW-MRVPVSSYSA-N 413.724 5.157 0 40 HKAB Cc1ccc(-c2nn(CC(=O)Nc3ccccc3C)c(=S)n2-c2ccccc2)cc1 8412619 OSUZGHHFKLPIRG-UHFFFAOYSA-N 414.534 5.326 0 40 HKAB Clc1ccc(Cn2c(NCc3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1 8429860 LAARDYYRBRIZFG-UHFFFAOYSA-N 416.739 6.657 0 40 HKAB Ic1ccc(C2=Nc3ccccc3N[C@H](c3ccccc3)C2)cc1 8457008 XRMHGJNATQCGTE-FQEVSTJZSA-N 424.285 5.969 0 40 HKAB O=C(NC1CCCCC1)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 8477037 DOIFSSPMWCRRDO-UHFFFAOYSA-N 415.324 5.304 0 40 HKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccc(Cl)cc1 8717067 BEDLGLCTBOLJRQ-UHFFFAOYSA-N 419.937 6.128 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 8902703 MZTWJXLXGYBMNP-UHFFFAOYSA-N 421.478 5.183 0 40 HKAB Cc1cccc2c(=O)c(-c3ccc(Cl)cc3)c(NC(=O)c3ccc(Cl)cc3)oc12 9327789 DNONQOSMDLUYSZ-UHFFFAOYSA-N 424.283 6.328 0 40 HKAB Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccco3)sc2c1 9448637 GYYBHURVDGBUMC-IBGZPJMESA-N 414.442 5.054 0 40 HKAB CCOc1ccc(CN(C)C(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 11330865 VLUUMKOYNKXKHZ-UHFFFAOYSA-N 413.477 5.075 0 40 HKAB O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccc(Nc2ccccc2)cc1 12536905 OGMBTWUDJYDWGU-UHFFFAOYSA-N 411.461 5.635 0 40 HKAB C[C@@H](NC(=O)[C@H](NC(=O)c1cccs1)c1ccccc1)c1ccc2ccccc2c1 12928619 YJOPELWHTIHSJM-UZUQRXQVSA-N 414.530 5.250 0 40 HKAB O=c1[nH]c(CN2CCCc3ccccc32)nc2scc(-c3ccccc3Cl)c12 13096710 JMRCSCMLCXOVSC-UHFFFAOYSA-N 407.926 5.258 0 40 HKAB Cc1ccc(OCc2nc(CC(=O)N(C)Cc3c(F)cccc3Cl)cs2)cc1 14202205 BNGPEWJUOMHEPF-UHFFFAOYSA-N 418.921 5.024 0 40 HKAB COc1ccc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2nc3ccccc3s2)cc1 15974626 VQMJNYZFUBUAIM-QFIPXVFZSA-N 413.502 5.227 0 40 HKAB aggregator O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccccc1 17090978 UEBSVMIBQOGWOQ-DHZHZOJOSA-N 417.317 5.780 0 40 HKAB CCc1ccc(O[C@@H](C)c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1 17092938 SBROCGLBPNAGHT-ZDUSSCGKSA-N 422.381 6.117 0 40 HKAB CCOc1ccc(CNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 19932120 BIUAVUWOWAASHD-UHFFFAOYSA-N 407.535 5.186 0 40 HKAB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc(C(=O)O)c(O)c1 20150940 OZDCVYYGPMQAKV-RMKNXTFCSA-N 418.232 5.309 0 40 HKAB CCOc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1OCC 20484693 BHPHEBVRIZFTGJ-MHZLTWQESA-N 417.549 5.631 0 40 HKAB Cc1ccc(-c2nnc([C@@H](C)Nc3cccc(-c4nnc5n4CCCCC5)c3)o2)cc1 24831679 QPRYGYHIKYFBGW-QGZVFWFLSA-N 414.513 5.203 0 40 HKAB COc1ccc(OC)c(NC(=O)c2cc(-c3cccs3)n(-c3ccc(F)cc3)n2)c1 24834267 WERGCZZTDOYMEM-UHFFFAOYSA-N 423.469 5.009 0 40 HKAB ClC(NC1CCCCC1)(NC1CCCCC1)c1ccc(NC2CCCCC2)nc1 24985223 VYTDRRXEUDNCHN-UHFFFAOYSA-N 419.057 6.020 0 40 HKAB Cc1ccc(C(=O)Nc2nc(-c3cccs3)c(NC(=O)c3ccco3)s2)cc1 26964438 DAZBKJQQZWPORB-UHFFFAOYSA-N 409.492 5.278 0 40 HKAB CCc1ccc(O[C@H](C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 28288049 BZMPNGVYGQGZIG-OAHLLOKOSA-N 414.958 5.152 0 40 HKAB COc1cc(C2SCCS2)ccc1OC(=O)c1csc(-c2ccsc2)n1 29763487 BHUPAHMYKHMXRD-UHFFFAOYSA-N 421.590 5.578 0 40 HKAB Cc1sc2c(c1C)c1nc(-c3ccccc3)nn1c(=O)n2Cc1ccccc1Cl 32091120 LHODGGAUYXRVLJ-UHFFFAOYSA-N 420.925 5.091 0 40 HKAB O=C(CSC(c1ccccc1)c1ccccc1)OCc1nnc(-c2cccs2)o1 32691658 VMWVOOMVNUAZGV-UHFFFAOYSA-N 422.531 5.364 0 40 HKAB COc1ccccc1NC(=O)COc1cc(-c2ccccc2)nc2ccc(F)cc12 32985815 IODPHALMKYLRNC-UHFFFAOYSA-N 402.425 5.067 0 40 HKAB COc1cccc(-c2nc(CN(C)[C@H](C)c3ccc(F)c(F)c3)cs2)c1OC 40039709 CORAUGMBSOOHJO-CYBMUJFWSA-N 404.482 5.299 0 40 HKAB CC(=O)Nc1ccc(NC(=O)CCCCc2ccc(Br)cc2)cc1C 40132768 XULXYGQTDOXLLQ-UHFFFAOYSA-N 403.320 5.067 0 40 HKAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cc2oc(-c3ccccc3Cl)cc2n1C 40287947 IVZYJIAXNQBUJT-UHFFFAOYSA-N 410.905 5.738 0 40 HKAB Cc1ncc(NC(=O)Cc2cccs2)n1-c1nc(-c2ccc(Cl)cc2)cs1 41124356 JTORYPROHHAWEW-UHFFFAOYSA-N 414.943 5.200 0 40 HKAB CC(C)(C)c1ccc(C2=NC3(CCCC3)N(C(=O)c3cccc(Cl)c3)C2=S)cc1 45933283 YKIMMGBLFQUCDR-UHFFFAOYSA-N 424.997 6.180 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)cc1 49005077 AVKYULXFRAJKON-GOSISDBHSA-N 404.514 5.095 0 40 HKAB Cc1ccc(-c2nc(S)c(-c3ccccc3)c(S(=O)(=O)c3ccccc3)n2)cc1 57291933 XDGPSLOSRCOSJQ-UHFFFAOYSA-N 418.543 5.241 0 40 HKAB Cc1nn(C(C)C)c(C)c1NC(=O)N(Cc1ccccc1C(F)(F)F)C1CCCC1 72277757 USRASHHDMYUCKE-UHFFFAOYSA-N 422.495 6.076 0 40 HKAB Fc1cccc([C@@H]2CC(c3cccs3)=NN2C(=S)NCCc2ccccc2)c1 79112541 QFWRCGKBDZYOIO-FQEVSTJZSA-N 409.555 5.156 0 40 HKAB COC(=O)CN1C(c2cccc(OC)c2)=Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 95945314 BVRHDXQZURVCIF-QHCPKHFHSA-N 420.896 5.005 0 40 HKAB CCSc1ccccc1C(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1 96119741 KIOZTIRTUFADEC-UHFFFAOYSA-N 421.547 5.753 0 40 HKAB CCc1ccc(NC2=C[C@@H](c3ccc(C(C)(C)C)cc3)N(c3ccc(CC)cc3)C2)cc1 100286793 CXXOFMMGQYLYHT-LJAQVGFWSA-N 424.632 7.666 0 40 HKAB Cc1ccc(COc2ccc(Cl)cc2CNc2ccc(Cl)cc2Cl)cc1 106983078 LRCIMWVEUOQDKQ-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913252 JQMQKOQOLPGBBE-FFMHOPAISA-N 402.663 6.648 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923168 KZIUQJZMWULELD-WNWGVQQNSA-N 415.706 7.222 0 40 HKAB C[C@@H](CCC[C@@H](C)CO)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118925412 QOZJGOAPWUNUFZ-DAPYBBAGSA-N 420.678 5.412 0 40 HKAB Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)o1 222849516 SKKGATWQUANGPZ-LEWJYISDSA-N 411.958 5.684 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2c(C)cc(C)cc2C)cc1 223684905 UIMGJSWJLGNWIV-STZFKDTASA-N 404.535 5.391 0 40 HKAB CCc1cccc(CC)c1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C 224501041 PPMKDZDRJCMEEV-JWGURIENSA-N 418.562 5.591 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1CSc1ccccc1 224653242 NITBEYHUXOTVBI-UHFFFAOYSA-N 407.535 6.029 0 40 HKAB O=C(O)[C@H](Cc1ccccc1Sc1ccccc1)Oc1ccc2ccccc2c1 225131973 FKABYIRZYORPRC-QHCPKHFHSA-N 400.499 6.066 0 40 HKAB COc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C(C)C 225165298 VXKNDEPSYGQCHO-UHFFFAOYSA-N 421.868 5.600 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CCc3ccc(Cl)cc3Cl)ccc21 225376148 WCTOIVKFXLXWJR-UHFFFAOYSA-N 411.332 6.693 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)N2CCCCC2)cc1 225379600 DXSKYNWEIFABIQ-UHFFFAOYSA-N 405.325 5.191 0 40 HKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225679214 IEQXNWAWXZOIDL-QGZVFWFLSA-N 401.919 5.271 0 40 HKAB Cc1nc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc2n1C 225894487 KPVJKWNHYMHMAE-UHFFFAOYSA-N 403.869 5.018 0 40 HKAB CCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(CC)c1-c1ccc(C)cc1 408562134 NCIDTTVTXJZQAR-FLFQWRMESA-N 419.377 6.155 0 40 HKAB COc1cc(C(=S)NCc2ccco2)ccc1OCc1ccc(Cl)cc1Cl 408572142 FJOUKMUKPOFGLU-UHFFFAOYSA-N 422.333 5.639 0 40 HKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)sc2n1 408618906 ICYOVLPGPOXTEJ-UHFFFAOYSA-N 418.975 5.228 0 40 HKAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)o1 408632954 HZVOYVPAEGBAQH-ODLFYWEKSA-N 421.430 5.312 0 40 HKAB COc1ccc(N2C(=O)c3ccccc3NC23CCN([C@@H]2CCC[C@H](C)C2)CC3)cc1 506287041 YJJASTAKZWUKPP-PZJWPPBQSA-N 419.569 5.138 0 40 HKAB CC(C)=CCC[C@]1(C)Oc2cc(-c3ccccc3C(=O)O)ccc2[C@@H]2O[C@H](C)CC[C@H]21 585265619 MEUHSKROHWGFKL-BIIVWMMYSA-N 420.549 6.806 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)c2cc(C(C)(C)C)nn2Cc2ccc(F)cc2)cc1 2037846275 WIAQZHJBHDOLLA-KRWDZBQOSA-N 423.532 5.258 0 40 HKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc12)Nc1ccc(Cl)cc1 869927 APSDDGRKXZZLQX-UHFFFAOYSA-N 423.900 5.820 0 40 HKAB O=C(c1ccc2ccccc2c1)c1conc1C(=O)c1ccc(Br)cc1 987986 IEZMVFKLAPFQGO-UHFFFAOYSA-N 406.235 5.052 0 40 HKAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCC(=O)c3ccc(Cl)cc3)cc12 1301588 XXQTWELURBZQOZ-UHFFFAOYSA-N 414.885 5.822 0 40 HKAB biogenic Cc1nc(NC(=O)c2cccc(Cl)c2)sc1C(=O)Nc1cccc(Cl)c1 1378997 RCMQWACZSMGPJP-UHFFFAOYSA-N 406.294 5.263 0 40 HKAB O=C(c1ccccc1)c1oc2ccccc2c1CSc1ccc(Br)cc1 3133631 YGFVGEVAMBJMCH-UHFFFAOYSA-N 423.331 6.719 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(-c2ccccc2)cc1 3187195 GBURMFOSOZLDHT-UHFFFAOYSA-N 406.510 6.883 0 40 HKAB c1ccc2c(Cc3nnc(SC[C@H]4CCCCO4)n3C3CCCCC3)cccc2c1 3330760 IOSDDWSKTIPTGP-JOCHJYFZSA-N 421.610 6.189 0 40 HKAB CSc1ccc(CN(C)[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 3381312 YIVIIWBWQPHZEV-NSHDSACASA-N 417.789 5.828 0 40 HKAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)Nc2c(C)cc(C)cc2C)cs1 3383299 WOAHWSXBCSFNGJ-ZHACJKMWSA-N 405.523 5.405 0 40 HKAB CCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C 3435961 LIWKBRGQTNYMJC-UHFFFAOYSA-N 415.477 5.529 0 40 HKAB FC(F)(F)c1cc(-c2ccc(Br)cc2)nc2c(-c3ccccc3)cnn12 3766640 RJWGMAUOCWRHTP-UHFFFAOYSA-N 418.216 5.845 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)cc1OC 4071758 CJBITSBJQIFEFO-UHFFFAOYSA-N 408.401 5.098 0 40 HKAB Clc1ccc2nc(-c3c[nH]c4ccccc34)c(Nc3ccc4c(c3)OCCO4)n2c1 4733675 VZALXRBGSUWDTI-UHFFFAOYSA-N 416.868 5.651 0 40 HKAB Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)c1 6024046 UGZQFQMSJAVTCA-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCc1cccc(C)c1NC(=O)c1cccc(C(=O)Nc2c(C)cccc2CC)n1 6125570 KHYVFIDXCHOBCA-UHFFFAOYSA-N 401.510 5.328 0 40 HKAB C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)N(C)Cc1ccccc1 6216701 JPAJXPSOCYDFCI-GOSISDBHSA-N 413.546 5.436 0 40 HKAB Cc1cc(NC(=O)COc2ccccc2C)ccc1NC(=O)c1cc2ccccc2o1 6238639 YNJRVYDMUCHBDV-UHFFFAOYSA-N 414.461 5.319 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4C)C3)cc2)c1 6261130 NNCNRHNRWQACSZ-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1 6365064 YKZLJSKLNOSUGU-DTQAZKPQSA-N 410.473 5.263 0 40 HKAB C[C@@H](Oc1cccc2cccnc12)C(=O)N(CCc1ccccc1)Cc1ccccc1 6586469 GVJXZUZDERSKEZ-OAQYLSRUSA-N 410.517 5.274 0 40 HKAB O=C(O)CC/C(=C\c1cccc(OCc2ccccc2)c1)c1nc2ccccc2s1 6601100 FLZCDYDCHJSPJS-HMMYKYKNSA-N 415.514 6.281 0 40 HKAB COc1ccccc1-c1c(C)noc1-c1ccc(OCc2ccc(F)cc2)cc1O 6755532 VCQPIDNAMROPLG-UHFFFAOYSA-N 405.425 5.749 0 40 HKAB biogenic Cc1nc(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc2n1 6936066 DXHLPDILDQXIAF-UHFFFAOYSA-N 413.546 5.259 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2-c2ccccc2)s1 6993221 VCQQSUWTZHCJPL-UHFFFAOYSA-N 411.577 5.265 0 40 HKAB CCCCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 7261244 OYBHRWRLTMNCHH-UHFFFAOYSA-N 416.776 6.514 0 40 HKAB Cc1nc(SCC(=O)Nc2ccc(N3CCCC3)cc2)n(C2CCCCC2)c1C 8156008 FITQPFZGMYKCBY-UHFFFAOYSA-N 412.603 5.336 0 40 HKAB COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1Cl 8472141 YDRSNNHRTWBELU-UHFFFAOYSA-N 420.940 5.741 0 40 HKAB COc1ccc2ccc(OCC(=O)N[C@@H](c3ccccc3)c3cccs3)cc2c1 8558187 IZYIREGLCIIWDK-DEOSSOPVSA-N 403.503 5.195 0 40 HKAB Cc1ccc(C)n1-c1nc2ccc(C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)cc2s1 8992059 VKQUIFGZSYDHHM-UUOWRZLLSA-N 407.583 5.745 0 40 HKAB COc1ccc(Br)c(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)c1 9170500 MCVBOEQESQGJRZ-UHFFFAOYSA-N 417.328 5.450 0 40 HKAB Cc1cccc2nc(-c3cccc4cccnc34)c(Nc3cccc(C(F)(F)F)c3)n12 9307034 ADAPMHMJLBSKAY-UHFFFAOYSA-N 418.422 6.620 0 40 HKAB Cn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccc(Cl)cc1 9562329 TVUWVVDYQOPMSS-NRFANRHFSA-N 419.937 5.852 0 40 HKAB Cc1nc(COc2ccc(C(=O)Nc3cccc(-c4csc(C)n4)c3)cc2)cs1 9608877 BZLMSAADHHLSSJ-UHFFFAOYSA-N 421.547 5.715 0 40 HKAB CCn1c(SCc2nnc(-c3ccc(Br)cc3)o2)nc2ccccc21 9731383 YCAIGHMHBRKAAI-UHFFFAOYSA-N 415.316 5.161 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cc2ccccc2oc1=O 9777655 IGYQWOVXRYSUSE-UHFFFAOYSA-N 415.836 5.242 0 40 HKAB CCOC(=O)c1c(NC(=O)CCc2ccc(-c3ccccc3)o2)sc2c1CCCC2 11689917 NNHBAQQTKVNUNR-UHFFFAOYSA-N 423.534 5.635 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)Nc5ccc(OC(F)F)cc5)(C4)C2)C3)cc1 12561146 RLJWEIMTCAUXIG-FLCJAFJVSA-N 411.492 6.073 0 40 HKAB O=C(c1ccco1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 12768119 MARQELWXPFXRKP-CYBMUJFWSA-N 423.321 5.536 0 40 HKAB CCOc1cc(C(=O)Nc2nc3c(C)cccc3s2)cc(Br)c1OC 12774069 ZOLMVSSSFHHXRG-UHFFFAOYSA-N 421.316 5.027 0 40 HKAB O=C1CCSc2ccc(C(=O)NCCC(c3ccccc3)c3ccccc3)cc2N1 12903658 WKDBXYUYIYQCOB-UHFFFAOYSA-N 416.546 5.073 0 40 HKAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cs1 12912032 DLJNTHAPHVLYSL-UHFFFAOYSA-N 424.856 5.538 0 40 HKAB CCc1ccc(Cl)c(CC)c1NC(=O)c1cccc(OCc2cscn2)c1 12975002 JYFOICHMQOVKRV-UHFFFAOYSA-N 400.931 5.753 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccccc1Oc1ccccc1 13017776 UZFRJMZPPZOOHR-UHFFFAOYSA-N 424.382 5.331 0 40 HKAB c1ccc(-c2ccc(-c3cn4nc(-c5ccccc5)c(-c5ccccc5)nc4n3)cc2)cc1 13511626 LKYVTYJTUNXWNP-UHFFFAOYSA-N 424.507 6.792 0 40 HKAB C[C@@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2n1Cc1cccc(Cl)c1 13597180 OFUUHFIBPLQLNH-LGHUBQEGSA-N 415.924 5.629 0 40 HKAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4cccc(OC)c4)ccc3c2C)cc1 15729375 ZZXZVDTUVNCNNX-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB biogenic COc1ccc(N(Cc2ccccc2)C(=O)c2cc(=O)c3ccc(C)c(C)c3o2)cc1 15831326 QPXSFVGOICRGJA-UHFFFAOYSA-N 413.473 5.265 0 40 HKAB O=C(Nc1cccc(Cl)c1)N(Cc1ccccc1F)c1nnc2n1CCCCC2 16769833 OIEMGJPRJHGQFU-UHFFFAOYSA-N 413.884 5.036 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 17089227 YZJUQVNDRCIERP-UHFFFAOYSA-N 412.511 5.259 0 40 HKAB O=C(NC(=S)Nc1ccc(CN2CCCCC2)cc1)c1ccc(Cl)cc1Cl 17092936 ILEMFIYGOZUDMV-UHFFFAOYSA-N 422.381 5.106 0 40 HKAB CC(C)OC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(Cl)cc3)sc2c1 20411812 WYQDCZSFWXHCRW-BJMVGYQFSA-N 400.887 5.167 0 40 HKAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)cc1 20492141 ICMOWCNMBYCTJH-SNVBAGLBSA-N 400.725 5.230 0 40 HKAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(-c2ccccc2Cl)o1 27605251 VIDJEEHJINYRAQ-KRWDZBQOSA-N 400.931 5.228 0 40 HKAB CCCCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 27664284 JUNZIKYJLUAXOW-OAQYLSRUSA-N 400.950 5.086 0 40 HKAB Cc1cc(OCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)ccc1Cl 27746913 IMIYYAOEBDXNLU-NRFANRHFSA-N 418.924 5.457 0 40 HKAB CCCCC1CCC(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)ns2)CC1 27793637 RFZUEHLQDQDUMC-UHFFFAOYSA-N 403.548 5.157 0 40 HKAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(COc2ccccc2Br)o1 27971030 RCCKBIKKJLMCQT-AWEZNQCLSA-N 412.283 5.213 0 40 HKAB COc1ccc(OC)c(-c2cc(C(=O)Nc3ccc(Cl)cn3)c3ccccc3n2)c1 27976770 MFQZRASDQJAXRK-UHFFFAOYSA-N 419.868 5.220 0 40 HKAB COc1ccc(-c2nsc(NC(=O)c3oc4cc(C)cc(C)c4c3C)n2)cc1OC 27992712 JABOEMBVHRGUDW-UHFFFAOYSA-N 423.494 5.146 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c1 30753738 JENPEMUJRHHTIB-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)C1 30758307 PSINYQCYYUMRMO-FQEVSTJZSA-N 400.522 5.963 0 40 HKAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCCC4=CCCCC4)c(C)c3cc2c1C 30819248 WRBLUVLWDWIHRF-UHFFFAOYSA-N 421.537 5.712 0 40 HKAB O=C(c1ccc(Br)cc1)N1CCc2sccc2[C@@H]1c1cccs1 32781454 PJRVJRKRLJYPJR-QGZVFWFLSA-N 404.354 5.360 0 40 HKAB COC(=O)c1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2ccc(Cl)cn12 35616053 AJVVPBIJZLQTHP-UHFFFAOYSA-N 420.900 5.251 0 40 HKAB CCOc1c(Br)cc(Br)cc1CNc1ccc(C)cc1C 37509649 IAEUJNQYJMNVQE-UHFFFAOYSA-N 413.153 5.839 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1nnc(SCc2ccccc2C)s1 39723888 OUZJJKHIBGQRBE-UHFFFAOYSA-N 405.932 5.053 0 40 HKAB COc1ccc(CC(=O)N(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)cc1OC 45403304 IMFFJAWWTKGLIN-CQSZACIVSA-N 407.432 5.017 0 40 HKAB CCCCOc1ccc(-c2cc3c(SCc4ccc(C)cc4)nccn3n2)cc1 45925371 VJKZUSPHXXMSAZ-UHFFFAOYSA-N 403.551 6.176 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](C)c1ccc(F)c(Cl)c1 60015517 YHCHBMCCGYVYSU-SNVBAGLBSA-N 410.251 5.257 0 40 HKAB Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc(C(F)(F)F)cc1 67297024 DXTNUPBBRNKVBJ-NFFVHWSESA-N 422.406 6.245 0 40 HKAB COc1ccc2oc(/C=C/C(=O)Nc3ncc(Cc4ccc(C)cc4)s3)cc2c1 67339581 IAVWSZDOAXWLPM-CSKARUKUSA-N 404.491 5.449 0 40 HKAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72214774 RQSMFTQPJPQPQP-NRFANRHFSA-N 423.557 5.601 0 40 HKAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(-c2ccccc2)cc1 72229884 QMJHBOVNFVDFHQ-VWLOTQADSA-N 413.904 6.341 0 40 HKAB FC(F)(F)COc1ccccc1CNC1(c2ccc(Br)s2)CC1 95941497 JHBKDTYXUYUFEA-UHFFFAOYSA-N 406.267 5.231 0 40 HKAB COc1ccc(/C=C/c2nn3c(-c4oc5ccccc5c4C)nnc3s2)cc1OC 96194388 TVSNUCJSSCZIOT-PKNBQFBNSA-N 418.478 5.095 0 40 HKAB O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1c(F)cccc1Cl 106741063 DCNHWYBLYLDCGN-ODLFYWEKSA-N 413.857 5.976 0 40 HKAB COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 106983211 JHBIZBTVVNIPKH-UHFFFAOYSA-N 420.311 6.641 0 40 HKAB COC(=O)c1ccc(C)c(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 219838188 INTHYFLNNXKXPL-UHFFFAOYSA-N 409.869 5.266 0 40 HKAB Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)c(C)c1 222778168 CTLBLOYRRNRTEB-AMGIVPHBSA-N 415.577 6.408 0 40 HKAB CC(C)CCN1c2ccc(Cl)cc2C(Cc2ccccc2)(Cc2ccccc2)[C@H]1C 223730021 ISRXAEXOCDAUBF-JOCHJYFZSA-N 418.024 7.318 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 223936696 JOQYZLDJIPPLML-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C 224275652 FQGBGBJLZRHRKS-RUZDIDTESA-N 420.597 5.021 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccccc1OC 224581996 XEZVIJUJHGXNCU-UHFFFAOYSA-N 419.521 5.850 0 40 HKAB COc1cccc(-c2cnc(CCC(=O)Nc3ccccc3Oc3ccccc3)o2)c1 224850482 YJBCRPMYYRCDJT-UHFFFAOYSA-N 414.461 5.714 0 40 HKAB O=C(NC1CCCCCCC1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224966095 HORMDUPRFXAEFV-UHFFFAOYSA-N 408.929 6.505 0 40 HKAB COc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c2cccnc12 225508153 HFOXKZPSVIKUGH-HSZRJFAPSA-N 413.546 5.628 0 40 HKAB COc1cccc(-c2nnsc2C(=O)Nc2ccccc2Oc2ccccc2)c1 225768047 PJYZEQUOEJAOHL-UHFFFAOYSA-N 403.463 5.258 0 40 HKAB O=C(O)c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 226340007 QSWREVJLHVXQEL-UHFFFAOYSA-N 420.484 5.142 0 40 HKAB CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cccc(C(F)(F)F)c2)C1 257216979 CWZAYSYOIAIYSJ-ZVDOUQERSA-N 409.423 5.722 0 40 HKAB CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CC(C)(C)C)CC1 257291425 QGXDUMWBOIMTCX-UHFFFAOYSA-N 420.597 5.077 0 40 HKAB O=C(CSCc1c(F)cccc1Cl)Nc1ccccc1Sc1ccccc1 408542741 AFZLZDYJLOFTOK-UHFFFAOYSA-N 417.958 6.502 0 40 HKAB Cc1cccc(C)c1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408616920 ARZDQRNDYWWPCA-UHFFFAOYSA-N 402.881 5.698 0 40 HKAB CCc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 408970073 ZYDANDTYFSLSNB-UHFFFAOYSA-N 405.325 5.047 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@H]1Cc3ccccc3[C@H]21 408999856 SOBUFXGZDCOXQM-NBCNXNJRSA-N 410.300 6.163 0 40 HKAB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC 409209367 GIXSEEBJCYVTTA-OVCLIPMQSA-N 410.278 5.252 0 40 HKAB COC[C@H](C)Oc1ccc(NC(=O)c2cccc(-c3ccc(OC)cc3)c2C)cc1 643586930 LFXWWSSGMXLCQR-KRWDZBQOSA-N 405.494 5.337 0 40 HKAB Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccn2)CC[C@H](C)C3)c1 708180 SKUKMBHVYXHKDG-HNNXBMFYSA-N 405.523 5.081 0 40 HKAB COc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)cc1OC 848944 VZAFGDKHVBCTBJ-UHFFFAOYSA-N 415.445 5.038 0 40 HKAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1sc2ccccc2c1Cl 992056 UQSWCZZASGSYDQ-UHFFFAOYSA-N 417.921 6.659 0 40 HKAB CC[C@@H](C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc3c(c2)OCO3)cc1 1307152 GKHUABMPSKPWAG-GYCJOSAFSA-N 400.478 5.700 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)c1cc2sccc2n1Cc1ccc(F)cc1 1324271 ONYZIWXAYWCSSX-UHFFFAOYSA-N 418.415 6.161 0 40 HKAB COc1ccc(NC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)cc1OC 1324355 AEKGQMQAJSKLIX-UHFFFAOYSA-N 410.470 5.160 0 40 HKAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(C(=O)c1cccs1)c1ccccc1 1376086 QVZKPGFHBYAJKF-JOCHJYFZSA-N 404.535 5.195 0 40 HKAB Cc1ccc(CSc2nc(N3CCOCC3)c3sc4ccccc4c3n2)cc1 1384005 WOUIKNMWILSKIG-UHFFFAOYSA-N 407.564 5.282 0 40 HKAB COc1cc(-n2c(SC)nc3cc(Cl)ccc3c2=O)c(Cl)cc1Cl 1397942 NJUDIBFSBYGABX-UHFFFAOYSA-N 401.702 5.076 0 40 HKAB CCCCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC[C@H]4C 1823034 IOIMZZLTAABFOM-CQSZACIVSA-N 424.595 5.427 0 40 HKAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)[C@@H](CC)c2ccccc2)c1 2073516 BFZCZCBUHQEYQJ-NRFANRHFSA-N 402.494 5.470 0 40 HKAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OC(=O)c3ccccc3Cl)cc12 2201105 XNZVPTYTBODPMX-UHFFFAOYSA-N 400.858 5.780 0 40 HKAB biogenic Cc1c(Cc2ccccc2)c(=O)oc2cc3occ(-c4ccc5ccccc5c4)c3cc12 2292325 BREDYSOQYHIFJJ-UHFFFAOYSA-N 416.476 7.259 0 40 HKAB CCOC(=O)c1c(NC(=S)Nc2ccc(C)cc2)sc2c1C[C@@H](C(C)C)OC2 2308400 HCZSYRNRPHPCAP-INIZCTEOSA-N 418.584 5.139 0 40 HKAB CCOc1ccc(NC(=O)CSc2nc(CC)nc3c2oc2ccccc23)cc1 2454418 FOVHASIQNIYBKR-UHFFFAOYSA-N 407.495 5.068 0 40 HKAB O=C(/C=C/c1cccc2ccccc12)Nc1ncc(Cc2ccc(Cl)cc2)s1 2669439 XXXCMCGUUDXZPJ-JLHYYAGUSA-N 404.922 6.192 0 40 HKAB COc1ccc2c(c1)c1nnc(-c3ccc(F)cc3)c-1cn2Cc1ccc(F)cc1 2690593 LAJQYMPOKYSSOH-UHFFFAOYSA-N 401.416 5.538 0 40 HKAB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(Cl)cc1Cl 3163498 VJTLGWWNYYYYFG-UHFFFAOYSA-N 415.301 6.228 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2c[nH]c3ccccc23)sc2c1CCC2 3582115 KZYLDBREIZBEII-GFCCVEGCSA-N 414.552 5.014 0 40 HKAB Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3ccc(Br)cc3)s2)c1C 4070362 SUSSPVQKEVINLY-UHFFFAOYSA-N 416.344 5.454 0 40 HKAB CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)CC(C)C 4154552 ZXNKIGWONDRNJZ-UHFFFAOYSA-N 410.333 5.339 0 40 HKAB CC(C)=CCC/C(C)=C/CC[C@@]1(C)OC(=O)N(C2CC(C)(C)NC(C)(C)C2)[C@@]1(C)O 4199115 SBSQPHKKKSELIR-HDDFZTRLSA-N 420.638 5.688 0 40 HKAB Cc1cc(Nc2nc(N3CCCCC3)c(Cl)cc2Cl)n(-c2ccccc2)n1 4507836 NKEULENQWAHXHM-UHFFFAOYSA-N 402.329 5.616 0 40 HKAB O=C(CSc1nc2ccccc2n1Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 4725909 QJUNQAHWCJLTFI-UHFFFAOYSA-N 416.590 5.962 0 40 HKAB Cc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Br)cc2)c1 4854381 KGQWFIQXRKGSHU-HXUWFJFHSA-N 410.315 5.196 0 40 HKAB COc1ccc(NC(=S)N(CCc2nc3ccccc3[nH]2)C2CCCCC2)cc1 4858977 DKOJQLJNROGFQL-UHFFFAOYSA-N 408.571 5.146 0 40 HKAB Cc1ccc(C(=O)NC2CCN(C(=O)N(c3ccccc3)c3ccccc3)CC2)cc1 4888522 JCQXXKYEUCARLI-UHFFFAOYSA-N 413.521 5.148 0 40 HKAB O=[S@](Cc1ccc(Cl)cc1)c1snnc1-c1ccc(Cl)cc1Cl 5674110 LWCULHLYRLELFK-QHCPKHFHSA-N 403.743 5.473 0 40 HKAB Cc1cc2nnc(SCc3csc(-c4ccc(F)cc4)n3)n2c2ccccc12 5886174 HWVRBQIVFMISFL-UHFFFAOYSA-N 406.511 5.746 0 40 HKAB O=C(Nc1cccc(Br)c1)c1ccc(NC(=O)c2cccs2)cc1 7039442 FUEWGNOEZBFWIT-UHFFFAOYSA-N 401.285 5.015 0 40 HKAB Cc1cc(OCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)ccc1C(C)C 8071779 XTDDASTUASNTHV-VWLOTQADSA-N 411.542 5.172 0 40 HKAB CCOc1ccc(OCC)c(NC(=O)c2oc3ccc(Br)cc3c2C)c1 8073215 ZEXHTNDZNAZIJK-UHFFFAOYSA-N 418.287 5.553 0 40 HKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H](C)c2cccs2)cc1 8156888 FLSUYRNARQZJRE-INIZCTEOSA-N 404.535 5.715 0 40 HKAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCCC[C@H]1c1nc2ccccc2s1 8340097 HULJZIKZKUEJHE-CTNGQTDRSA-N 422.550 5.222 0 40 HKAB O=C(Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccccc1Br 9660205 XOXYHSIFTIIYEM-UHFFFAOYSA-N 420.262 5.475 0 40 HKAB biogenic Cc1nc(-c2cccc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)c2)cs1 9669852 MIIOTPUAQYFBKJ-UHFFFAOYSA-N 419.531 5.685 0 40 HKAB Cc1ccc2c(-c3oc4ccccc4c3NC(=O)c3cccs3)cc(=O)oc2c1 11865177 VARUIHRBXVAIQA-UHFFFAOYSA-N 401.443 5.828 0 40 HKAB biogenic COc1ccc2cc(CN(C)C(=O)c3cc(C4CC4)nn3-c3ccccc3)ccc2c1 12569506 NXNAFHTYEWVPJJ-UHFFFAOYSA-N 411.505 5.184 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)cc12 12571980 DQFYVQVMIGATCL-SNUQEOBHSA-N 401.963 5.603 0 40 HKAB Cc1cccc(OCCn2c([C@H](C)c3ccc(CC(C)C)cc3)nc3ccccc32)c1 13030751 ZNSLRMJIWZQOGX-JOCHJYFZSA-N 412.577 6.774 0 40 HKAB C[C@H]1CCc2sc(-c3nnc(S[C@@H](C)c4nc5ccccc5c(=O)[nH]4)o3)cc2C1 13128122 XPKWSFVUOQMNMA-RYUDHWBXSA-N 424.551 5.013 0 40 HKAB CCOC(=O)c1ccc(/N=c2\ssc3c2-c2cc(C)ccc2N(C)C3(C)C)cc1 13688481 HVAPYSXUWKPNHO-FLFQWRMESA-N 424.591 5.879 0 40 HKAB COc1ccccc1-c1nn(-c2cccc(F)c2)c(-c2ccccc2OC)c1Cl 17088121 UKQDVTREHCRQGP-UHFFFAOYSA-N 408.860 6.016 0 40 HKAB CCCCc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 17091539 BTEYSCZWAXTNRK-UHFFFAOYSA-N 418.562 5.735 0 40 HKAB CC1(C)CC(=O)c2c(Nc3ccc(Cl)cc3)nn(-c3nc4ccccc4s3)c2C1 19817239 AQDADWZFDYEHBQ-UHFFFAOYSA-N 422.941 6.034 0 40 HKAB O=C(OC1CCCCC1)c1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 20412139 DXDXHQHKNHSIAA-UHFFFAOYSA-N 407.897 6.235 0 40 HKAB CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2-c2ccc(OCc3ccccc3)cc2)C1 20674324 MBDABVIDRWJCAE-UHFFFAOYSA-N 422.528 6.273 0 40 HKAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 21124749 HRVAOOAELNRTJN-UHFFFAOYSA-N 418.276 6.071 0 40 HKAB CCOc1ccccc1NC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 22504574 CGOQUGZAWACYTK-UHFFFAOYSA-N 421.522 5.384 0 40 HKAB O=C(Nc1cccc(Br)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 28355699 IHPMURSQYFVXLF-UHFFFAOYSA-N 411.082 6.268 0 40 HKAB O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 30825929 CJFNGMWZHLIUKC-VQHVLOKHSA-N 409.239 5.502 0 40 HKAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(-c2nc3ccccc3s2)o1 32772674 UVHFRRUQYZWVNH-UHFFFAOYSA-N 417.534 5.429 0 40 HKAB O=C(CCc1ncc(-c2ccccc2)o1)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 32878770 VMWAPTCUDYKRQR-UHFFFAOYSA-N 415.420 5.250 0 40 HKAB CSc1ccc(-c2noc(CSc3ccc(-c4ccc(F)cc4)nn3)n2)cc1 33022065 FQSFFFSJFLAGRA-UHFFFAOYSA-N 410.499 5.347 0 40 HKAB CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccc(C(C)C)cc2)CC1 33088307 BTLRXPHFWMRQJA-UHFFFAOYSA-N 418.541 5.007 0 40 HKAB CCc1ccc(NC(=O)c2sc(=S)n3c2nc(O)c2ccc(Cl)cc23)cc1 33251389 PITQWCWLXFYKID-UHFFFAOYSA-N 415.927 5.452 0 40 HKAB CCN1C/C(=C/c2ccc(C(C)(C)C)cc2)c2nc3ccccc3c(C(=O)O)c2C1 33698923 ZIQVFLGHKYSWOR-JXAWBTAJSA-N 400.522 5.607 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccccc5)nc4c3)o2)cc1C 33701357 JNKOYOVJPWAEID-UHFFFAOYSA-N 408.457 6.624 0 40 HKAB CSc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078490 NWIQSUMHFJNDMK-UHFFFAOYSA-N 402.519 5.254 0 40 HKAB COc1ccc(-n2c(SCc3c(C)cc(C)cc3C)nc3ccsc3c2=O)cc1 71327673 SZIFZLNESBIVNX-UHFFFAOYSA-N 422.575 5.673 0 40 HKAB Cc1ccc([C@@H](C)C(=O)NC[C@H]2CC[C@H](c3ncncc3-c3ccncc3)CC2)cc1 100738796 HSEKSXPSXKBSQN-VIZSFHNOSA-N 414.553 5.041 0 40 HKAB Cc1cccc(N2C(=O)/C(=C\Nc3cccc4ccccc34)c3ccccc3C2=O)n1 105820386 OHFVJYBXMYRHMU-JWGURIENSA-N 405.457 5.183 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1 106972086 FFYJQIKDXBEDRK-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB COc1cc(CNc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 107030970 GOJXBDSQVHFUFI-UHFFFAOYSA-N 412.327 5.957 0 40 HKAB CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1 222708580 ZSBYUJJUMMWVLN-VSDWSMLSSA-N 418.566 5.250 0 40 HKAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222803986 UOEBLZNOWNQHCJ-RBUKOAKNSA-N 418.349 5.641 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 223005791 MAMWMCPBTFDALV-DEOSSOPVSA-N 407.941 6.035 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1C(C)C 223294860 FDNIVKDQQDTGAC-KRWDZBQOSA-N 416.521 5.118 0 40 HKAB CCCC[C@@H](CC)CNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 223419998 YSDSQJDFWLJGSU-KBMIEXCESA-N 424.610 5.407 0 40 HKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1C 224364159 MBBYRKLOGQQKSD-DHIUTWEWSA-N 404.583 5.337 0 40 HKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 224750315 UDBWVADCLTWETE-GOSISDBHSA-N 420.553 5.034 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc4ccccc34)o2)cc1 224908070 YHQJOMKCZLTXRL-UHFFFAOYSA-N 420.468 6.423 0 40 HKAB O=C(CCc1ccccc1)N1CCS/C1=C/c1csc(NCc2ccccc2)n1 225256999 YJHXCRZKJOAGEF-PXLXIMEGSA-N 421.591 5.262 0 40 HKAB CCO[C@]1(C(=O)Nc2ccc(OCCC(C)(C)OC)c(Cl)c2)CCC[C@H](C)C1 225719009 XIILMYQAISAILG-KSFYIVLOSA-N 411.970 5.458 0 40 HKAB S=C(Nc1ccc(Br)c(Cl)c1)NC1(c2ccncc2)CCCC1 225859874 LEQWWWRNNJVCKZ-UHFFFAOYSA-N 410.768 5.253 0 40 HKAB Clc1ccc(CN2CC=C(c3nc4cc(-c5ccccc5)ccc4o3)CC2)cc1 226251309 CJCIYQFVUMZHRN-UHFFFAOYSA-N 400.909 6.438 0 40 HKAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCCN1Cc1cccc(Cl)c1 257321334 WBETXZLRNCDPEA-JOCHJYFZSA-N 422.960 5.063 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2cc(C)ccc2C)cc1 408696472 ADRXTCPBZLPLJE-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2cccc(C)c2C)cc1 408697259 IFFKNYJRQQUQEB-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB O=C(Nc1cccc2ccccc12)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 408697562 HWEKCZGYWVVJHE-UHFFFAOYSA-N 424.891 5.993 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(C)cc2C)cc1 408698249 OFBTULKYZICGNV-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2cccc(C)c2C)n1 408699544 UPHUMECILKNUBA-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccccc2)cc1 408699546 XTEJVQQDJWCWBJ-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1ccc(F)cc1F 408713217 OKZOWFKIWJEUNK-UHFFFAOYSA-N 400.450 5.058 0 40 HKAB CCOc1ccc(NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 409116085 TWNOZOAFJYFDKZ-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCCOc1ccccc1Cl 409197030 UIPINQHZBVOWLX-UHFFFAOYSA-N 419.974 5.358 0 40 HKAB Cc1ccc(CCc2nc(N3CCC[C@H]3c3ccc(Cl)cc3)ncc2C(=O)O)cc1 585266604 JDFNBQGASZPTKW-QFIPXVFZSA-N 421.928 5.263 0 40 HKAB COc1cccc(CSc2ncnc3c2[nH]c2ccc(Br)cc23)c1 1889138881 XAFOAALZMMMJCJ-UHFFFAOYSA-N 400.301 5.175 0 40 HKAB Cc1cccn2cc(-c3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3)nc12 629593 XRADGNIMKLJGMS-UHFFFAOYSA-N 413.502 5.264 0 40 HKAB COc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2C2CCCCC2)cc1 876380 NUXFEJLBLCPRDQ-UHFFFAOYSA-N 422.554 5.054 0 40 HKAB COc1ccc(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(C)cc3)cs2)cc1 1223384 MVITXIBWVIOIPM-UHFFFAOYSA-N 414.530 5.974 0 40 HKAB CC(C)c1nc(SCC(=O)NCc2cccs2)c2c3c(sc2n1)CCCC3 1378869 IPHGOECJPQLVJN-UHFFFAOYSA-N 417.625 5.164 0 40 HKAB FC(F)(F)c1cnc(Sc2nc3nccc(-c4ccccc4)n3n2)c(Cl)c1 1382299 MIGYHPMXVDRNPC-UHFFFAOYSA-N 407.808 5.010 0 40 HKAB COc1ccc(-c2csc(-n3nc(-c4ccc(C)cc4)cc3C(F)(F)F)n2)cc1 1413648 CVWHPYDUBJUMNX-UHFFFAOYSA-N 415.440 5.999 0 40 HKAB CC(C)(C)c1ccc(Cn2c(S(=O)(=O)Cc3ccccc3)nc3ccccc32)cc1 1441750 UMWLXADPUKUQGL-UHFFFAOYSA-N 418.562 5.356 0 40 HKAB CCCN(CCC)C[C@H](O)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 1595084 KKMSOYXAWZGFCG-QFIPXVFZSA-N 417.380 6.364 0 40 HKAB COc1ccc(C2=C(c3ccccc3)c3ccc(OC(C)=O)cc3OC2(C)C)cc1 1713643 JZSJRCBITBJXAM-UHFFFAOYSA-N 400.474 5.751 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 1846412 HWDKQTSXGUIDTK-UHFFFAOYSA-N 406.448 5.735 0 40 HKAB CCc1ccc2nc(-c3ccc(-c4cc(Cl)cc(Cl)c4)o3)cc(C(=O)O)c2c1 1886969 IWDXNPWPUYZGLS-UHFFFAOYSA-N 412.272 6.729 0 40 HKAB CCCCc1ccc(NC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccccc23)cc1 2081668 DPVBIOMUYROYBT-UHFFFAOYSA-N 408.545 7.114 0 40 HKAB CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc(OC(C)C)c1 2088377 MRMDPRCDIRNKHG-UHFFFAOYSA-N 423.534 6.020 0 40 HKAB Cc1cc(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)ccc1Br 2117107 WZDNVGLLCNFDIL-UHFFFAOYSA-N 414.299 5.146 0 40 HKAB biogenic CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1 2247414 LUHVXURXTKXALD-LJQANCHMSA-N 402.475 5.123 0 40 HKAB COc1ccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1Cl 2249024 CNFLXYYJQFWOEG-UHFFFAOYSA-N 421.287 5.951 0 40 HKAB CC(C)(C)c1ccc(-c2nc3nc4ccccc4nc3n2CCc2ccccc2)cc1 2256631 CKFPZCIBOGIERC-UHFFFAOYSA-N 406.533 6.187 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1sc2ccccc2c1Cl 2315798 FQFDQIILKSSWOQ-UHFFFAOYSA-N 420.877 6.321 0 40 HKAB COc1cccc([C@H]2C=C(Nc3ccc(C)c(C)c3)C(=O)N2c2ccc(C)c(C)c2)c1 2347833 LSYAPUNUDWMLKL-AREMUKBSSA-N 412.533 6.013 0 40 HKAB Cc1cccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCCC4)c1 2409123 OTLMBDACXZLYAP-UHFFFAOYSA-N 422.575 5.579 0 40 HKAB O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCC1)CCCC3)c1ccccc1 3435819 CXENDTUFASHTHM-UHFFFAOYSA-N 424.591 5.427 0 40 HKAB CC[C@@H](c1nnc(SCc2c(F)cccc2Cl)n1Cc1ccccc1)N(C)C 3551752 UJLZOULPCADYGK-IBGZPJMESA-N 418.969 5.424 0 40 HKAB CCNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC[C@H](C(C)(C)C)C2 4525771 UOYNONLITLUDBO-ZDUSSCGKSA-N 418.990 5.555 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2c(Cl)cccc2Cl)N3)C1 4545737 QEQZCJJONHWXCH-BBATYDOGSA-N 423.409 7.025 0 40 HKAB CCOc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)[C@H](C)[C@@H]2CC)cc1 4562146 OQZNSCZZVINNGJ-YZXAJQSBSA-N 414.549 6.314 0 40 HKAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2cc1CC1CCCC1 4857799 ZHRVBEXGQVALBR-SFHVURJKSA-N 416.590 6.037 0 40 HKAB Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)nc2c1 4866630 CPPUXMUQPFSNPK-UHFFFAOYSA-N 404.469 6.723 0 40 HKAB Cc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)c1 5044497 MNRJSTJHKFIQKZ-HSWFVFMJSA-N 417.508 5.419 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(c1cc(C)on1)C3=O 5270092 UXFGLCVWHAINKT-JOCHJYFZSA-N 414.461 5.271 0 40 HKAB Cc1cccc(Nc2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)c1 5323690 JIQOYAIGDFEFSH-UHFFFAOYSA-N 404.945 6.708 0 40 HKAB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Cl)cc2)c2cccs2)cc1 5554986 WWLKRSXNBCZODV-HXUWFJFHSA-N 404.940 5.498 0 40 HKAB CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccc(Cl)cc1 6207390 IGFQEZHOZHHMEQ-UHFFFAOYSA-N 403.975 5.725 0 40 HKAB Cc1cccc(Cn2c([C@H]3CC(=O)N(c4ccccc4Cl)C3)nc3ccccc32)c1 7542526 NDNFYUSLDSLQEQ-IBGZPJMESA-N 415.924 5.567 0 40 HKAB Cc1ccc(Cn2c([C@@H]3CC(=O)N(c4ccccc4Cl)C3)nc3ccccc32)cc1 7542558 IMGJYFXYSOVVSJ-LJQANCHMSA-N 415.924 5.567 0 40 HKAB CC(C)(C)c1ccccc1OCC(=O)NCCSCc1c(F)cccc1Cl 8050210 JGCYNNKESJQLGC-UHFFFAOYSA-N 409.954 5.205 0 40 HKAB Clc1ccccc1OCc1nnc(SCc2nc3ccccc3o2)n1C1CC1 8313990 GTZALJYAPFHOGP-UHFFFAOYSA-N 412.902 5.279 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)NCc3ccccc3)nc2-c2cccc(Cl)c2)c1 8476709 APPYWMWUNIYSBE-UHFFFAOYSA-N 416.912 5.135 0 40 HKAB COc1cccc(CNC23CC4CC(CC(C4)C2)C3)c1OCc1ccc(Cl)cc1 8495271 NOLGUKCWDWMSLJ-UHFFFAOYSA-N 411.973 5.986 0 40 HKAB CC1CCN(c2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CCC4)CC1 8624437 TURWTGGVXCTUPI-UHFFFAOYSA-N 400.551 5.632 0 40 HKAB COc1ccc(SCCCC(=O)Nc2nc3c(s2)COc2ccccc2-3)cc1 9474376 BIQMKSWYWQIAQW-UHFFFAOYSA-N 412.536 5.222 0 40 HKAB O=C(CCCCc1nc2ccccc2s1)Nc1ccccc1C(=O)NC1CCCC1 9512156 GZKOFUPSBCMTGP-UHFFFAOYSA-N 421.566 5.320 0 40 HKAB COc1ccc(CCNCc2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1 10315625 PQMVMOMCHWBCOP-UHFFFAOYSA-N 418.968 5.992 0 40 HKAB COc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OCc1ccccc1 12366533 YEJQCRFIPZSTIM-JTHBVZDNSA-N 406.526 5.072 0 40 HKAB CC(=O)Nc1ccc(NCc2ncc(-c3cccc(Cl)c3)o2)c(C(F)(F)F)c1 12553763 VOEHOHAMNYGXSB-UHFFFAOYSA-N 409.795 5.584 0 40 HKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCCc1cccs1 13112245 OEEGOOGBGIAGRX-UHFFFAOYSA-N 420.559 5.521 0 40 HKAB CCn1c(SCc2ccc(Br)cc2)nnc1[C@H](C)Oc1ccccc1 13849852 NHWVIWSVEHHHKT-AWEZNQCLSA-N 418.360 5.493 0 40 HKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1C 15529239 XIOBCEUDGJAMCE-UHFFFAOYSA-N 420.490 5.103 0 40 HKAB Cc1ccc(C)c(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)c1 17026349 FTGGHBPIXJQRLT-UHFFFAOYSA-N 414.918 5.239 0 40 HKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc2[nH]c(=O)[nH]c2c1 17089749 SDVXWLXQVLCVNK-ZZXKWVIFSA-N 414.248 5.075 0 40 HKAB CCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 17093350 FWHVTKLIODVDPF-WYMLVPIESA-N 422.912 6.299 0 40 HKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)[C@@H](C)c3ccccc3)c2)cc1 19691335 BWPVRGDUYUQBKB-UQBPGWFLSA-N 400.522 5.533 0 40 HKAB CCOCCOc1ccccc1CNc1ccccc1OCCCc1ccccc1 19738461 AYXWRIAAMWXWMY-UHFFFAOYSA-N 405.538 5.726 0 40 HKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(O)c(C(=O)O)c1 20151119 NZSYTAHWIZYYQF-ZZXKWVIFSA-N 418.232 5.309 0 40 HKAB CCOC(=O)C1CCN(Cc2cnc(Oc3ccc(C(C)(C)C)cc3)s2)CC1 20218615 VSIBDRHENNWCPD-UHFFFAOYSA-N 402.560 5.008 0 40 HKAB CCN(CC)Cc1ccc(CNC(=O)c2ccccc2SCc2cccs2)cc1 21960217 GDFLQIQEUKKQAZ-UHFFFAOYSA-N 424.635 5.812 0 40 HKAB O=C(c1cccc(OCc2ccccc2Cl)c1)N1CCC(Cc2ccccc2)CC1 22258377 PJAMCPSZSIDQHG-UHFFFAOYSA-N 419.952 6.014 0 40 HKAB CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1N1CCC(Cc2ccccc2)CC1 27584860 GSWSPQAIOVAIBT-UHFFFAOYSA-N 424.592 6.035 0 40 HKAB C[C@@H](Oc1ccc(F)cc1F)C(=O)Nc1ccc(Br)cc1C(F)(F)F 27975584 LVGNOYXRHAASCY-MRVPVSSYSA-N 424.163 5.152 0 40 HKAB O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCC[C@H](c2nc3ccccc3o2)C1 31128349 KJKKZBOOVAPXHT-INIZCTEOSA-N 420.440 5.159 0 40 HKAB CCOc1cccc(-c2noc(CSc3ccc(-c4ccc(C)c(C)c4)nn3)n2)c1 32951370 BQRXRTFZODKTKF-UHFFFAOYSA-N 418.522 5.501 0 40 HKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)C3CCN(C(C)=O)CC3)cc2)cc1 32981780 JYFGWVLVINCHKW-UHFFFAOYSA-N 408.542 5.364 0 40 HKAB O=C(NC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12)[C@@H]1CCCO1 32994593 ZFZHPSLUDNOEEF-VWNXMTODSA-N 410.517 5.262 0 40 HKAB C[C@@H]1CCCC[C@H]1N[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 34867956 KRKDELWOURNERO-XMCHAPAWSA-N 424.894 6.207 0 40 HKAB O[C@H](CN[C@@H](c1ccc(F)cc1)c1cccs1)CO[C@H]1CCCc2ccccc21 36666595 GPFNJXKIGXNQPX-SFLYRZDNSA-N 411.542 5.021 0 40 HKAB O=C(NCCCOCc1ccccc1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 40062010 DVIVTOYXLAYEHD-UXHICEINSA-N 406.551 5.069 0 40 HKAB COc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 44933167 MYTWDVLCZPIJSW-DOTOQJQBSA-N 421.368 5.091 0 40 HKAB CC(=O)c1oc2ccccc2c1NC(=O)CN[C@H](C)c1ccc(Cl)c(Cl)c1 57315493 NUMDZEGSAWHFAY-LLVKDONJSA-N 405.281 5.232 0 40 HKAB CCc1ccc(-n2cc(-c3nc(-c4cccc(F)c4)no3)c3ccccc3c2=O)cc1 67245324 DKLKARMMVOPYEW-UHFFFAOYSA-N 411.436 5.409 0 40 HKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2cccc(C)c2)cc1 71328027 RRXKMCMXXKIQNZ-UHFFFAOYSA-N 423.582 5.483 0 40 HKAB CN(C)c1nc2sc(C(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)cc2s1 71817078 DKFWBTMOCWIDJN-INIZCTEOSA-N 417.556 5.144 0 40 HKAB Cc1csc(-c2ccc(NC(=O)N(CCO)[C@H]3CCCc4ccccc43)cc2)n1 72314320 HIHFLANSXHOMMZ-NRFANRHFSA-N 407.539 5.022 0 40 HKAB C[C@@H](Nc1c(C(=O)N2CCCCC2)cnc2ccc(Cl)cc12)c1ccc(F)cc1 72328483 ODTMFWHDWKGVBF-OAHLLOKOSA-N 411.908 5.827 0 40 HKAB CCN1C(=C/C=C(Cl)\C=C/c2ccc3ccccc3[n+]2CC)C=Cc2ccccc21 95913136 OHSOQUQZMBMVQL-UHFFFAOYSA-N 413.972 6.720 0 40 HKAB CCOC(=O)/C=C(C)/C=C/c1ccccc1-c1ccc2c(c1)C(C)(C)C(=O)C2(C)C 96171659 MBVQTJAMHJDMSI-SMSZEUIGSA-N 402.534 6.014 0 40 HKAB CCOc1cc2c(cc1NC(=O)/C=C\c1csc(-c3ccc(F)cc3)n1)O[C@H](C)C2 96926064 SUUFKMSYPXBNBX-QIAWRQBBSA-N 424.497 5.323 0 40 HKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccccc2Sc2ccccc2)S1 222606079 BPSSCIFRCNXIPC-HVETUWLQSA-N 403.576 5.822 0 40 HKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 222956204 ALCIYVYTAUCNFK-NHCUHLMSSA-N 410.974 5.298 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccccc1C 224098509 LPFRDFIVHJFBBE-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1cccc(C)c1 224111257 CZRKVNWTVLRMTC-UHFFFAOYSA-N 415.411 5.854 0 40 HKAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc(Cl)cc1 224503854 QZVTWCPQWMPZTR-UHFFFAOYSA-N 421.924 5.516 0 40 HKAB CCN(CC)CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 225547762 YDDYDKYCCYCBBZ-UHFFFAOYSA-N 412.549 5.387 0 40 HKAB Cc1cc(NC(=O)C2(c3ccccc3)CCOCC2)cc(C)c1OCc1ccccc1 225562607 NUJKVJYNXIYVHX-UHFFFAOYSA-N 415.533 5.569 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c(C)n1 225870206 VQAWKGLWXREXNG-UHFFFAOYSA-N 400.950 6.063 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c2cccnc12 225873500 HJPYXOHCPZSLEQ-UHFFFAOYSA-N 418.537 5.409 0 40 HKAB CCc1cc(Br)cc(C)c1NC(=O)C(c1ccccc1)c1ccccc1 226092299 HTTGQQYTVMHDNN-UHFFFAOYSA-N 408.339 6.091 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1N1[C@H](C)CCC[C@H]1C 226330877 XHXPFYQADVHJPD-ZIAGYGMSSA-N 406.357 5.904 0 40 HKAB O=C(c1cccc(Br)c1)N1c2ccccc2Sc2ccc(Cl)cc21 226363065 AVLKYWZMKOBLNJ-UHFFFAOYSA-N 416.727 6.546 0 40 HKAB Cc1cccc(NC(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)O)c1 253562563 DKOXAZTZHHSMGP-CXSMSNRLSA-N 411.501 5.388 0 40 HKAB Cc1ccc(NC(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)cc1NC(=O)NC[C@H]1C[C@H]2CC[C@H]1C2 254698326 FCHPHCIYHHHYAK-HQZQWKOLSA-N 424.589 5.110 0 40 HKAB CC(C)n1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@H]56)[C@H]43)cc21 257198787 IFQVDHKHKVDYQC-WSKLTFMVSA-N 417.597 5.257 0 40 HKAB CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cc(F)c(F)cc2F)C1 257234844 GVIJVVSUGWSISO-ZVDOUQERSA-N 411.851 5.635 0 40 HKAB CCOc1cc(/C=C/C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)ccc1OC 408601278 JNWPNJDHPHMLQR-OQLLNIDSSA-N 423.896 6.192 0 40 HKAB COc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2ccc(F)cc2)cc1 408622160 BDJNIZUUFZFOLM-UHFFFAOYSA-N 423.868 5.022 0 40 HKAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cc2c(ccc3ccccc32)o1 408629937 KSVYHPNWSJHXPV-UHFFFAOYSA-N 410.429 5.361 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(Cl)c3C)n2)cc1 408695287 PKZQIDCLGMIZMX-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CCCc1sc(NC(=O)c2cccc(F)c2)nc1-c1cc(OC)ccc1OC 408824501 HWQLQOUARWPISK-UHFFFAOYSA-N 400.475 5.171 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C 408901361 DOFRMCUYTOYYBF-LDADJPATSA-N 417.914 5.767 0 40 HKAB COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 409108388 XGHIJLJODVWLIL-UHFFFAOYSA-N 405.498 5.298 0 40 HKAB COc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1cccc(Cl)c1 409114062 IKFUPYVJNVTFGY-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB CCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)ccc1OCc1cccc(F)c1 409129365 GJZDEZVZJCHTFP-JCMHNJIXSA-N 417.480 5.711 0 40 HKAB CCOc1cc(-c2nc3ccccc3s2)ccc1OCc1cccc2ccccc12 409189397 KNQXMSDCZGKJHJ-UHFFFAOYSA-N 411.526 7.094 0 40 HKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3C)c(OC)c2)cc1 409376457 AYNLKRNUOCNRQL-UHFFFAOYSA-N 420.509 5.032 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1)c1ccccc1 628432 NJTBKCWDDYQTJT-UHFFFAOYSA-N 418.905 5.947 0 40 HKAB Cc1ccc(-n2c(C)nnc2S[C@@H](C)C(=O)Nc2cccc3ccccc23)cc1 676520 YJTVHVOYSQNVMJ-INIZCTEOSA-N 402.523 5.157 0 40 HKAB O=C(N[C@H](Nc1ccccc1C(F)(F)F)C(Cl)(Cl)Cl)c1cccs1 824918 MSYSJUFUBBDWLL-LBPRGKRZSA-N 417.667 5.305 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)OCc2ccccc2)c1 854807 JAQGIRQFSWDQSO-XMMPIXPASA-N 414.505 5.006 0 40 HKAB COc1ccc(-c2cc(-c3nnc(-c4ccc(OC)cc4)o3)c3ccccc3n2)cc1 899619 VNDDSUIYZUZLAQ-UHFFFAOYSA-N 409.445 5.636 0 40 HKAB CCC(=O)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)c(C(F)(F)F)oc2c1 939320 LZKFLHCIVSZPIH-UHFFFAOYSA-N 406.356 5.536 0 40 HKAB CC(=O)O[C@@H](C(=O)N1c2ccccc2[C@H](Nc2ccccc2)C[C@H]1C)c1ccccc1 1117228 VVLNDNHZGBIEPT-DVKBMCPXSA-N 414.505 5.269 0 40 HKAB CCOC(=O)C(Cc1ccccc1Cl)(Cc1ccccc1Cl)c1ccccc1 1870216 YHHCTQVMKSQNLK-UHFFFAOYSA-N 413.344 6.280 0 40 HKAB CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1Cl 2375419 IZRGJEIYJKZYEO-SIBVEZHUSA-N 416.285 5.327 0 40 HKAB Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2Cc2ccc(C(C)C)cc2)c1 2668921 VQHSKDLTEUPAAZ-UHFFFAOYSA-N 412.577 7.219 0 40 HKAB FC(F)(F)c1cccc(-c2cnc(SCc3c(Cl)cccc3Cl)nc2)c1 3134282 NASDVQAHJWXUCN-UHFFFAOYSA-N 415.267 6.762 0 40 HKAB CCCCOc1ccc([C@@H](CC(=O)c2ccc(C)cc2)Nc2ccc(Cl)cc2)cc1 3162220 HRIAPRJAMDALKY-RUZDIDTESA-N 421.968 7.254 0 40 HKAB Cc1ccccc1Nc1nnc(SCC(=O)c2ccc(OC(F)F)cc2)s1 3220924 BBDINRIWIKPETF-UHFFFAOYSA-N 407.467 5.167 0 40 HKAB O=C(c1ccccc1F)c1cc(Cl)ccc1NC(=O)c1cc2ccccc2oc1=O 3323862 WWGFDXGZTYGAOW-UHFFFAOYSA-N 421.811 5.069 0 40 HKAB COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 3363133 JPTDGIMEZLYWDU-UHFFFAOYSA-N 423.079 5.104 0 40 HKAB CC[C@@H](NC[C@@H](O)COc1ccccc1C(C)C)c1ccc(Br)cc1 3441564 DSZGNJFNCOPFRU-UYAOXDASSA-N 406.364 5.053 0 40 HKAB CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc([C@@H](C)CC)cc2)cc1 3667548 HWCRCADETHWXDQ-SIBVEZHUSA-N 414.549 6.760 0 40 HKAB O=C(NC1CCCCC1)/C(=C\c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 4032068 AKZCYMJHKNIHNY-DEDYPNTBSA-N 417.336 5.213 0 40 HKAB CC(C)(C)c1ccc(CSc2nnc(C(F)(F)F)n2Cc2ccc(F)cc2)cc1 4105426 OJUKTKLABRNDCC-UHFFFAOYSA-N 423.479 6.074 0 40 HKAB Cc1ccccc1CSCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 4496855 JLBOZGNDRUJPME-UHFFFAOYSA-N 409.938 5.751 0 40 HKAB O=C(Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)Nc1cccc(Cl)c1 4694597 IMEMLVIJSXLMRD-UHFFFAOYSA-N 423.944 6.139 0 40 HKAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2Cl)n2c(nc3ccccc32)N1 4767910 PPPUKPRMVBDMKF-QFIPXVFZSA-N 421.928 5.855 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)Cc3cccs3)cc2O)cc1 4945044 UPMQMUVHMBOVIB-UHFFFAOYSA-N 408.523 5.185 0 40 HKAB O=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)c1ccc(Cl)cc1 4967168 TWKLNGURGAWYNU-UHFFFAOYSA-N 403.891 5.225 0 40 HKAB Clc1ccc(-c2nnc3n2N=C(c2ccc4ccccc4c2)CS3)c(Cl)c1 5092577 RGRVGCQSQPLZBX-UHFFFAOYSA-N 411.317 5.763 0 40 HKAB COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)c1 5217038 GLHGQZPOQWRWTJ-QDSKXPNFSA-N 415.961 5.226 0 40 HKAB COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2cccc(C)c2)cc1 5347010 GZOWRLBIMJKCGP-UHFFFAOYSA-N 401.487 5.498 0 40 HKAB Cc1ccc(NC(=O)/C(=C\c2ccccc2Cl)NC(=O)c2ccccc2)c(C)c1 5577952 LHJQUVRVAAKOOD-PXLXIMEGSA-N 404.897 5.366 0 40 HKAB O=C(CSc1ncc(-c2ccc(Br)cc2)[nH]1)Nc1cccc(Cl)c1 6445283 BLDZCHOWMYXMFW-UHFFFAOYSA-N 422.735 5.223 0 40 HKAB [O-][n+]1c(-c2ccccc2)c(-c2ccccc2)n(O)c1-c1cccc(Br)c1 6475897 IOSUZRAPGKDCDU-UHFFFAOYSA-N 407.267 5.122 0 40 HKAB CCOc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1 6595524 RCKIWLGAVFKKHS-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1 7073118 YXPPXJPWWWUTQT-GOSISDBHSA-N 414.505 6.334 0 40 HKAB Cc1ccc(NC(=O)Cc2nc(-c3cc(C)n(-c4cc(C)on4)c3C)cs2)cc1 7844269 ZKELGRIWHWDOIO-UHFFFAOYSA-N 406.511 5.004 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2cccc(-c3nc4ccccc4s3)c2)c1C 8165689 XKLWDRKLLCTWLV-OAHLLOKOSA-N 417.534 5.794 0 40 HKAB CCOc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc(Br)c1OC 8253577 XAHFCFQDSZVFTK-NJMHRBNOSA-N 422.407 5.695 0 40 HKAB COc1ccc(-c2n[nH]c(S[C@H](C(=O)c3ccccc3)c3ccccc3)n2)cc1 8344364 QMXGMMZGIOXYGU-NRFANRHFSA-N 401.491 5.197 0 40 HKAB O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1cc2ccccc2o1 8448867 GXGRSCBWFYXCET-UHFFFAOYSA-N 423.255 6.800 0 40 HKAB CC1=C(C(=O)Nc2ccc(C)c(C)c2)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 8843843 UGPUPNDWNNZEJQ-SFHVURJKSA-N 420.365 5.042 0 40 HKAB CCc1ccc(/C=C2/S[C@H](c3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 8916897 GBWKQUGWBOFZJO-OGRZUZBBSA-N 415.558 6.386 0 40 HKAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)Cc3ccc(Cl)cc3)ccc1O2 9135343 WUQKJKQWKSBIHP-UHFFFAOYSA-N 406.869 5.212 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cn(Cc2ccccc2)nc1-c1cccnc1 9255642 VASJAOCQMIJIHN-UHFFFAOYSA-N 422.410 5.265 0 40 HKAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1Br 9274877 MLJDWVQMYROXRS-UHFFFAOYSA-N 413.058 5.058 0 40 HKAB O=C(CCC(=O)c1ccc(Cl)s1)Nc1ccc(-c2cn3ccsc3n2)cc1 9336179 ZCJVKPCUFQOREH-UHFFFAOYSA-N 415.927 5.379 0 40 HKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1Oc1ccccc1 9354680 LHHKUXNQLUKRRH-UHFFFAOYSA-N 422.509 7.008 0 40 HKAB CCc1ccc(N2C(=O)N(Cc3cc(C)ccc3C)c3ccccc3S2(=O)=O)cc1 9664098 QWOMRQVZOIEHPD-UHFFFAOYSA-N 420.534 5.201 0 40 HKAB COc1ccc(-c2nc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)cs2)cc1 9861924 XDBLAHWEOUAIDT-SFHVURJKSA-N 421.547 5.406 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2C)cc1 10332989 AKMXKSLBOPOAIJ-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 12495504 KPQJBAGUKHGXBF-GBXCKJPGSA-N 418.880 5.354 0 40 HKAB Cc1ccc(OCc2nc(C)c(C(=O)N(C)Cc3ccccc3Cl)s2)cc1 12866711 NFCXDHJXHFKILT-UHFFFAOYSA-N 400.931 5.265 0 40 HKAB COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C3Sc4ccccc4N32)cc1 13148280 HZBZMBMXXRTUPL-HSZRJFAPSA-N 424.529 5.892 0 40 HKAB O=C(CN1CCCC[C@H]1c1cccnc1)N1c2ccccc2Sc2ccccc21 15083157 WIGJXCPPBDQPNC-IBGZPJMESA-N 401.535 5.438 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 15881147 ZWULXCOPZYOLDK-UHFFFAOYSA-N 417.505 5.630 0 40 HKAB O[C@@H](CNCc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccccc1 16477369 NFRMYGVHJWDVFK-VWLOTQADSA-N 401.481 5.381 0 40 HKAB CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1 16610400 QPVFBOLIXDKZHY-LLVKDONJSA-N 419.959 5.254 0 40 HKAB C[C@@H]1CCCN(c2ccc3cccc(OCc4ccc(Br)cc4)c3n2)C1 17245687 UTZTVPAUIBYIPL-MRXNPFEDSA-N 411.343 5.813 0 40 HKAB Brc1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19364760 WJQFICLJQSPPAZ-UHFFFAOYSA-N 421.382 5.356 0 40 HKAB O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1 20004291 ZDMJYGBIQQEOTH-UHFFFAOYSA-N 400.541 6.929 0 40 HKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)C1 20461078 YLICDWSGMAJGDR-AWEZNQCLSA-N 405.311 5.072 0 40 HKAB CC1(C)CC(=O)c2c(Nc3ccc(Cl)c(Cl)c3)nn(-c3ccc(F)cc3)c2C1 20796728 GCXSPDFTTKLVJD-UHFFFAOYSA-N 418.299 6.217 0 40 HKAB O=C(COc1ccc(C(=O)c2ccc(F)cc2)cc1)Nc1c(Cl)cccc1Cl 21902616 MYEHARJNDVIPMT-UHFFFAOYSA-N 418.251 5.381 0 40 HKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccccc1Br 22237714 YSUCXSNDOPPRQI-UHFFFAOYSA-N 402.317 5.234 0 40 HKAB CC(C)CCCCNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 26780138 PPHAKRXBTCANSS-UHFFFAOYSA-N 422.572 7.125 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1cccc(Cl)c1 28284614 OCIWHMJMCYEISX-UHFFFAOYSA-N 413.926 6.114 0 40 HKAB Oc1[nH]c(=S)nc2c1[C@@H](c1cccc(Br)c1)C=C(c1ccccc1)N2 28466190 FYXLFDGNAXNPBK-CQSZACIVSA-N 412.312 5.206 0 40 HKAB Cc1cc(C)cc(NC(=O)CSc2nc3ccc(NC(=O)C(C)C)cc3s2)c1 33000788 AAIVTGPLQPPTGR-UHFFFAOYSA-N 413.568 5.238 0 40 HKAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4cc(C)sc4C)cs3)cc2)n1 35317119 VZUBQFJQGDOIFJ-UHFFFAOYSA-N 408.552 5.543 0 40 HKAB COc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(OC)c1OC 36866277 HOZNIMYFYFQFSI-UHFFFAOYSA-N 423.309 5.002 0 40 HKAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 40104358 PDPIUSLDZKVFNN-UHFFFAOYSA-N 415.449 5.278 0 40 HKAB COc1cccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 41125382 UOAMQPZWJZFRAM-QGZVFWFLSA-N 411.457 5.339 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2)cc(C)c1Cl 41303036 XRQCOGZDOUVEKD-HNNXBMFYSA-N 412.382 5.427 0 40 HKAB Cc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1 46078869 GVRYUERSBABWCY-UHFFFAOYSA-N 404.897 5.494 0 40 HKAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ncc(-c2c(F)cccc2F)o1 72277173 ORPBBZXWLMYROY-RXVVDRJESA-N 424.491 5.737 0 40 HKAB CC1=C[C@@H](CNCc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 72320977 VTQNUZCDPAOAKQ-VABKMULXSA-N 402.586 5.453 0 40 HKAB biogenic,in-vitro CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CN(C(=O)OCc3ccccc3)c3ccccc32)C1 91302601 IOSWBGQPCIQBBW-CTNGQTDRSA-N 422.525 5.184 0 40 HKAB CN(C)c1ncc(C(F)(F)F)cc1-c1cccc(NC(=O)c2ccc(Cl)cc2)c1 91695488 VQXCVJPYVOMTID-UHFFFAOYSA-N 419.834 5.739 0 40 HKAB CN(C)C(=O)Sc1cccc(CN[C@H]2CCOc3c(-c4ccccc4)cccc32)c1 96006937 ZAGCEXSTCDYHEK-QHCPKHFHSA-N 418.562 5.741 0 40 HKAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCc2ccc(F)cc2)C12CCCCC2 96344586 LHNTWFNVWLXBPW-HSZRJFAPSA-N 422.544 5.040 0 40 HKAB O=c1c2ccc(Cl)cc2nc2n1CC/C2=C/c1ccc(OCc2cscn2)cc1 96991234 WIECCDYONSSGPQ-DHDCSXOGSA-N 421.909 5.030 0 40 HKAB CC1(C)CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H](c3cccnc3)C2=C(O)C1 104006081 GQNGLKFUEPRHLQ-LJQANCHMSA-N 415.415 5.436 0 40 HKAB Cc1ccc(OC[C@@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 218991234 LSDZVXPIMMCQET-GOSISDBHSA-N 409.913 5.425 0 40 HKAB COc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccc(C(C)(C)C)cc1 224178318 GSDOGVADVKIWCH-UHFFFAOYSA-N 421.581 6.192 0 40 HKAB O=C(Nc1ccc(OC(F)(F)F)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 224855507 JJZPXBCBWLKYQC-XMHGGMMESA-N 417.814 6.418 0 40 HKAB S=C(NCCCSC1CCCCC1)Nc1ccc(Br)c(Cl)c1 225590907 KKWGNROBYFCOGN-UHFFFAOYSA-N 421.857 5.845 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(OCCN3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 225663226 KIZABORJMJDYAW-TYBLODHISA-N 416.606 5.254 0 40 HKAB CC[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(C)cc1C 225715059 LAMHRVQUGJNVIR-XMMPIXPASA-N 420.647 7.033 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C(=O)OC 225759698 AKLYUSNFJMKQSW-UHFFFAOYSA-N 409.526 5.411 0 40 HKAB COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccc(Br)cc12 226360198 YWEWMWMFTMDSOG-UHFFFAOYSA-N 421.088 5.213 0 40 HKAB CC1=C(C)C[C@@H](C(=O)N2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)CC1 257336477 YOQLUVLYCMCBPV-QHCPKHFHSA-N 423.000 6.168 0 40 HKAB CCCCCCOc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1 408587619 SNEXJLVTCRKWEI-UHFFFAOYSA-N 410.739 6.314 0 40 HKAB COc1ccccc1N(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 408628081 SUDXWJPECFUCBV-UHFFFAOYSA-N 422.333 5.398 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccccc2)c(C)c1 408696945 CNTPIBTVNPSLFV-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1c(F)cccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 409153992 NERJATSRGVTGOL-UHFFFAOYSA-N 412.273 5.222 0 40 HKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCc3ccc(C(=O)O)cc3)n2)cc1 409385142 JLUJRHUFELWICE-UHFFFAOYSA-N 420.412 5.162 0 40 HKAB CC(C)Oc1cccc2c1OC(C)(C)[C@H]1C[C@H](C(=O)O)[C@H](CCc3ccccc3)O[C@H]21 585264800 NUVJLSSFXVXBAW-VVSUKSJXSA-N 424.537 5.425 0 40 HKAB C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CN2 1528997595 KWVISVAMQJWJSZ-YCTLXAELSA-N 413.646 5.287 0 40 HKAB ON1C(c2ccc(Cl)cc2)=NN=C(c2ccccc2)[C@@H]1c1c[nH]c2ccccc12 721162 ULOPVXGEEVJUFQ-QFIPXVFZSA-N 400.869 5.418 0 40 HKAB Cc1nnc(S[C@H](C)C(=O)Nc2cccc3ccccc23)n1CCc1ccccc1 891395 KUNHISBFRBFNLS-QGZVFWFLSA-N 416.550 5.102 0 40 HKAB CCOc1ccc(NC(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c23)cc1 1377380 BJUWWQMTJFMGKH-UHFFFAOYSA-N 413.568 5.315 0 40 HKAB CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(C)cc2)cs1 1405026 PBKPXFRYBPZASZ-UHFFFAOYSA-N 408.914 5.583 0 40 HKAB Cc1cccc(Oc2coc3cc(OCc4c(F)cccc4Cl)ccc3c2=O)c1 1915159 LMADMHJEHFGSCJ-UHFFFAOYSA-N 410.828 6.265 0 40 HKAB COc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccccc2)cc1 2055732 VRXLBNWOGSYCAG-UHFFFAOYSA-N 405.295 6.182 0 40 HKAB CCc1ccc(C)c(OC(=O)c2ccc(C(=O)Oc3cc(CC)ccc3C)cc2)c1 2069590 RWCUOTFXWZIAQS-UHFFFAOYSA-N 402.490 5.867 0 40 HKAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)cc1 2079441 HNXKUAMJMTXKRE-IBGZPJMESA-N 409.485 5.947 0 40 HKAB COc1ccccc1C1(O)[C@@H](C)[C@@H](c2ccccc2)N(C)[C@@H](c2ccccc2)[C@H]1C 2260794 LTBHDKLBZYZJDK-RZVBBFASSA-N 401.550 5.583 0 40 HKAB CC(C)c1ccc([C@@H](O)[P@@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 2361200 IKIKBTCKJMZFEA-QCDSWUKFSA-N 423.493 5.687 0 40 HKAB CCCSc1nc(NC[C@H]2CCCO2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2424762 KJXBNJDQKZQPKC-XCLFUZPHSA-N 407.605 5.026 0 40 HKAB CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c1 2659030 OELKRZSVJDFOEG-UHFFFAOYSA-N 404.702 5.164 0 40 HKAB COc1ccc(-c2csc3ncnc(Oc4ccc(Cl)cc4Cl)c23)cc1 2663372 OTQFHIVGKYPHCO-UHFFFAOYSA-N 403.290 6.466 0 40 HKAB CCCCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1 2721778 PVUHNEVUNLCMRQ-UHFFFAOYSA-N 413.973 5.782 0 40 HKAB CCCCC[C@H](C)NC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12 2736701 UJRAQLGLRMIOLQ-KRWDZBQOSA-N 406.526 5.618 0 40 HKAB CCc1sc(-c2cc3ccccc3oc2=O)nc1-c1ccc(Br)cc1 2964205 IJHQOEQAJMBWGI-UHFFFAOYSA-N 412.308 5.908 0 40 HKAB COc1ccc(C)cc1N(C(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1 3227149 GRMAKFMPJADLIO-UHFFFAOYSA-N 408.910 6.245 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)/C=C/c2cccc(Cl)c2)c2ccccc2)c1 3314312 FCUJMVGUCJWRBJ-UWHSVAFCSA-N 419.908 5.893 0 40 HKAB CCC(=O)N(CC[C@]1(c2ccccc2OC)CCO[C@@H](C(C)C)C1)Cc1ccccc1 4043606 MSKPBDGFSCBHIQ-VPUSJEBWSA-N 423.597 5.597 0 40 HKAB biogenic O=C(CCc1ccccc1)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 4267441 FYAMACIKGDXRQB-UHFFFAOYSA-N 402.425 5.396 0 40 HKAB CC(C)(C)c1ccc(OCCSc2nc3ccccc3n2-c2ccccc2)cc1 4663628 JPDXVNULXKQTEO-UHFFFAOYSA-N 402.563 6.494 0 40 HKAB Cc1ccccc1-c1nnc(SCC(=O)c2ccc(Oc3ccccc3)cc2)o1 4740819 SOWAWOVFUQZPJA-UHFFFAOYSA-N 402.475 5.812 0 40 HKAB CC(=O)c1cccc(NC(=O)Cc2csc3nc(-c4ccc(Cl)cc4)cn23)c1 5146510 VTDNJWVYGKRCBM-UHFFFAOYSA-N 409.898 5.100 0 40 HKAB COc1ccccc1Oc1cn[nH]c1-c1ccc(OCc2ccc(C)cc2)cc1O 5197609 JOSRNNYQTXNSSN-UHFFFAOYSA-N 402.450 5.471 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1S(=O)(=O)Nc1ccccc1 6024044 KVFLGXYJRDNGTH-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB NC(=O)c1c(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)sc2c1CCCCC2 6471438 XYSNCXXLSKLWFD-UHFFFAOYSA-N 414.914 5.282 0 40 HKAB COc1ccc(NCc2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 6966784 LYFAXTVHKYBVGC-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 7073006 VLYOEIVUOWMQNZ-LJQANCHMSA-N 416.521 5.778 0 40 HKAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)c1nnc(-c2ccc(F)cc2)o1 7221489 KVPJPMCLHABJPL-LLVKDONJSA-N 413.503 5.384 0 40 HKAB CCOc1cc(CNC2CCCCCCC2)cc(Cl)c1OCc1ccccc1 7523358 SXVPCVCXKSVQPN-UHFFFAOYSA-N 401.978 6.520 0 40 HKAB Cc1ccc2c(c1)-c1sc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc1CS2 8781753 ZGKKOKLYSYIJCU-UHFFFAOYSA-N 421.465 6.480 0 40 HKAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(C(C)(C)C)cc2)CSC3)cc1C 8882766 HWGPPAVQHJYIQV-UHFFFAOYSA-N 405.567 5.786 0 40 HKAB COc1ccc(-n2nc3c(c2NC(=O)c2cc(Cl)ccc2Cl)CSC3)cc1 9363817 WQJZFZYXSFQRQK-UHFFFAOYSA-N 420.321 5.187 0 40 HKAB COc1cccc(Nc2nnc(SCC(=O)Nc3cccc4ccccc34)s2)c1 9469176 XOKKCKYIFDBOIW-UHFFFAOYSA-N 422.535 5.174 0 40 HKAB O=C(C1CCC1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 9514351 XFTBBNKPLUBTMF-CQSZACIVSA-N 411.354 5.429 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)Cc3cccc(C(F)(F)F)c3)n2)c1 9633114 HRYXQVBJPPRVIJ-UHFFFAOYSA-N 422.428 5.027 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 10332999 JLKLLJPHRJXSAV-UHFFFAOYSA-N 413.561 6.765 0 40 HKAB OC12C[C@H]3C[C@@H](C1)CC(c1cc(-c4ccccc4Cl)c4cc(Cl)ccc4n1)(C3)C2 12546687 DYYSEIBEBCYWQM-MEYXOBLXSA-N 424.371 6.791 0 40 HKAB COc1ccc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cc1OC 12912429 FWUSYCNJZZQZSA-UHFFFAOYSA-N 406.463 5.340 0 40 HKAB Cc1cccc2cc3c(nc12)OCCN(CCC(c1ccccc1)c1ccccc1)C3 13563771 RPDXJHPDFSGTAB-UHFFFAOYSA-N 408.545 5.960 0 40 HKAB O=C(Nc1ccc(Br)cc1F)c1cc(Br)ccc1Cl 15008338 GZHDDCICHHECDH-UHFFFAOYSA-N 407.464 5.256 0 40 HKAB O=C(Nc1ccc(C2=NN=C(Nc3cccc(Cl)c3)SC2)cc1)c1ccccc1 15452833 SEWXOSCNWPYISU-UHFFFAOYSA-N 420.925 5.511 0 40 HKAB O=C1CCCC(=O)C12Cc1ccc(Cl)cc1N1CC[C@H](Cc3ccccc3)C[C@@H]12 16957420 PGQBPMVSBPQSQY-XMSQKQJNSA-N 407.941 5.032 0 40 HKAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc(Cl)cc1Cl 17088388 DPXHSFNIHBHREP-UHFFFAOYSA-N 410.109 5.133 0 40 HKAB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccco2)cc1 17091327 RPKXQXWXECKYQA-UHFFFAOYSA-N 418.276 5.610 0 40 HKAB C[C@@H]1C[C@@H](OC(=O)c2ccccc2C(=O)O[C@@H]2C[C@H](C)CC(C)(C)C2)CC(C)(C)C1 17325836 ATHBXDPWCKSOLE-IYWMVGAKSA-N 414.586 6.430 0 40 HKAB COc1ccc(CC/N=c2\cc(-c3ccccc3)oc3cc(C)cc(C)c23)cc1OC 18115952 UIQWWDHEPKQZHK-XAYXJRQQSA-N 413.517 5.877 0 40 HKAB CCCCCCC1N(Cc2ccc(Cl)cc2)CCCN1Cc1ccc(Cl)cc1 19325697 TUVGYEVBYYTKFC-UHFFFAOYSA-N 419.440 6.998 0 40 HKAB N=c1n(Cc2ccccc2)c2ccccc2n1C[C@@H](O)c1ccc(Cl)c(Cl)c1 19707755 MBKSTSOMOGRYOR-OAQYLSRUSA-N 412.320 5.011 0 40 HKAB Cc1ccc([C@H](NC(=O)CN2C(=O)c3cccc4cccc2c34)c2ccccc2)cc1 20452563 SAEFCPDAYIZBOM-AREMUKBSSA-N 406.485 5.014 0 40 HKAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 20460985 DLMNZMSXHNPWIA-BALBBAFXSA-N 421.606 6.282 0 40 HKAB Cc1ccc([C@H](NS(=O)(=O)Cc2c(Cl)cccc2Cl)c2ccccc2)cc1 20494344 UYOJKFYJIITAHW-OAQYLSRUSA-N 420.361 5.511 0 40 HKAB Clc1ccc2c(c1)nc(CSc1nnc3ccccn13)n2Cc1ccccc1 24865766 AJJHSPKFBPLLOX-UHFFFAOYSA-N 405.914 5.073 0 40 HKAB Cc1nc(COc2ccc3ccccc3c2)sc1C(=O)Nc1cccc(Cl)c1 27912519 MJSRMQZOXCJZCV-UHFFFAOYSA-N 408.910 6.089 0 40 HKAB CC(C)Oc1ccc(C(=O)N(Cc2ccc(Br)o2)c2ccccn2)cc1 27995462 GNEWGPYEXXIOFG-UHFFFAOYSA-N 415.287 5.071 0 40 HKAB COc1cc2c(cc1OC)CN(C(=O)/C(=C/c1cccc(C)c1)c1cccs1)CC2 31240017 MBFORBZCWNYNLN-FYJGNVAPSA-N 419.546 5.199 0 40 HKAB O=C(c1cc(-c2ccc(Cl)cc2)on1)N1CCC(c2nc3ccccc3o2)CC1 35681767 WBCFGOXZGMACQY-UHFFFAOYSA-N 407.857 5.156 0 40 HKAB Cc1ccc(CN(CCc2ccccc2)C(=O)c2cc3ccccc3oc2=O)s1 39981921 QUYGZWIKTZZJTN-UHFFFAOYSA-N 403.503 5.048 0 40 HKAB Cc1c(C(=O)Nc2cc(F)ccc2NC(=O)c2ccccn2)oc2c(Cl)cccc12 40157886 MDJFSHBJPCEISK-UHFFFAOYSA-N 423.831 5.433 0 40 HKAB CC(C)[C@H](O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 40165394 IOWMKBFJCNLRTC-SJIUKTLUSA-N 402.663 6.360 0 40 HKAB endogenous,in-man Cc1cc(C)c(C(=O)N(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c(C)c1 40967954 DLDPZQPQZPOWHD-UHFFFAOYSA-N 407.535 5.264 0 40 HKAB Cc1oc(-c2ccccc2)nc1CN(c1ccccc1)S(=O)(=O)c1ccccc1 48989722 XTMXCCCWXDNBSQ-UHFFFAOYSA-N 404.491 5.046 0 40 HKAB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(Cl)cc1 59268867 PXJMEQZPVFKBLU-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB Cc1cccc(-n2nc(-c3nc(-c4cccc(Cl)c4)no3)c3ccccc3c2=O)c1 64949771 FOXNGNYXPKRCHS-UHFFFAOYSA-N 414.852 5.065 0 40 HKAB CC1=C(CC[C@@H](C)CO)O[C@@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 118917495 IQDKIMJGXXRZGR-SNBDPOGHSA-N 416.646 5.698 0 40 HKAB CCc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 197529511 GQSVQZIHQSLPQT-RUZDIDTESA-N 416.546 5.276 0 40 HKAB CCc1nc(S/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)O)n[nH]1 213390719 ZMWAGQZRVIQYMP-ZSOIEALJSA-N 410.282 5.152 0 40 HKAB CC(C)Oc1ccc(CCCNC(=O)CC(c2ccccc2)c2ccccc2)cc1 219128773 TXSDNFSEXBNDAR-UHFFFAOYSA-N 401.550 5.745 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)CCCSc2ccc(Cl)cc2)cc1C(C)C 223369446 JQEQPMLPVIJCNZ-QGZVFWFLSA-N 420.018 6.530 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C)c2)cc1 224103722 UIZFTCIDVBRKPZ-UHFFFAOYSA-N 403.522 6.178 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccccc1C(C)(C)C 224168334 KLXHCSVYVYIFFX-UHFFFAOYSA-N 417.549 6.441 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 224188790 RYNQLVWESJRWCK-DQEYMECFSA-N 409.570 5.635 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1CSc1ccccc1 224332214 GQNBQALASSKGBC-MRXNPFEDSA-N 411.954 6.132 0 40 HKAB Cc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224747655 VUCKMEIAAANZQV-JOCHJYFZSA-N 420.597 5.102 0 40 HKAB CC(C)Oc1ccc(CCCNC(=O)c2cc(Br)ccc2Cl)cc1 225074196 KHCCNDAVTYIQEK-UHFFFAOYSA-N 410.739 5.252 0 40 HKAB S=C(NCCSCc1cccc(Cl)c1)Nc1ccc(OC2CCCC2)cc1 225300744 LVVBFCLALCHGDO-UHFFFAOYSA-N 421.031 5.881 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C)c1ccc(C)cc1 225674839 HQGURKDWRFUDIR-NRPPHEFGSA-N 418.562 5.403 0 40 HKAB CC(C)n1nccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257269966 MSFOOSCQQTUTHX-IBGZPJMESA-N 412.921 5.064 0 40 HKAB O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCCC1 408565294 JKKWJHILHAGTDI-UHFFFAOYSA-N 416.974 5.477 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cc(Cl)ccc3C)n2)c1 408696987 DFKFOERBHIEULW-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccccc2)nc1-c1cccc(Cl)c1 408699381 TYECDAZYLGIECD-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1ccc(C(=O)Oc2ccccc2/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc1 408839048 MCCLFWTYXBCXMK-QPEHMNFXSA-N 409.441 5.224 0 40 HKAB Cc1ccccc1NCc1ccc(OCc2cccc(Cl)c2)c(Br)c1 409113862 JELFMUALKADTCH-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 409188058 FMMNKQVECYTYIF-MHWRWJLKSA-N 424.305 5.642 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Br)cc2)c1 826452 XOBVMWRTBIRJCR-UHFFFAOYSA-N 409.283 5.262 0 40 HKAB O=C(O)c1cc(-c2ccc(Br)cc2)nc2ccc(Br)cc12 999583 JTOIYLWKTKYNBG-UHFFFAOYSA-N 407.061 5.125 0 40 HKAB COc1ccc(CNC(=O)c2cccc(COc3ccc(C(C)(C)C)cc3)c2)cc1 1003148 PQTDMZKJMNDTQQ-UHFFFAOYSA-N 403.522 5.502 0 40 HKAB COc1ccc(OC)c(C(=O)CSc2nc(C(C)C)nc3sc(C)c(C)c23)c1 1340365 QOSIPBWJDJAJGH-UHFFFAOYSA-N 416.568 5.424 0 40 HKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=O)Nc3ccccc3)C3CCCCC3)cc12 1371613 ZHWPUYSWXUZWLJ-UHFFFAOYSA-N 403.526 5.512 0 40 HKAB Cc1nc2ccccc2n1C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 1512707 HHPWQHXESKTGSZ-QGZVFWFLSA-N 424.331 5.821 0 40 HKAB O=C(Nc1ccc(F)cc1)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 2069730 GAHUYORHELCIAX-UHFFFAOYSA-N 410.448 5.997 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2Cl)cc1 2069747 IJKHFLAYQQAMCI-UHFFFAOYSA-N 412.961 5.952 0 40 HKAB CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccccc1 2193298 OGCXNCGINLAPHU-QCDSWUKFSA-N 422.509 6.140 0 40 HKAB c1ccc(-c2nc3sc4c(NC[C@@H]5CCCO5)ncnc4c3c3c2CCCC3)cc1 2299363 CAHCKVXOLBAQHU-INIZCTEOSA-N 416.550 5.376 0 40 HKAB Cc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4cccc5ccccc45)nc3C2)cc1 2439798 IKFYSDQJDCWVHC-IBGZPJMESA-N 407.473 5.103 0 40 HKAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccccc1-c1ccccc1 2726582 UUCNHVDANMMTFO-UHFFFAOYSA-N 418.547 5.680 0 40 HKAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)cc1Cl 2917651 JKLJBSGCZABFES-UHFFFAOYSA-N 410.351 5.551 0 40 HKAB O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 3059439 PPFHJCUASZOCQC-LICLKQGHSA-N 402.208 5.737 0 40 HKAB Brc1ccc(Oc2ccc(Oc3ccc(Br)cc3)cc2)cc1 3172306 XQKSVQFPTJGNQH-UHFFFAOYSA-N 420.100 6.796 0 40 HKAB biogenic CC(C)(C)C(=O)C(SC(=S)C1CCCCC1)SC(=S)C1CCCCC1 3204375 MRHZIRZKVNZGCJ-UHFFFAOYSA-N 416.743 7.210 0 40 HKAB Cc1ccc(C(=O)[C@H](OC(=O)c2ccc(Br)o2)c2ccc(C)cc2)cc1 3295131 VMLKUPFEHJRLOV-HXUWFJFHSA-N 413.267 5.440 0 40 HKAB O=S1(=O)c2ccccc2N[C@@H](c2cccc3ccccc23)N1Cc1ccccc1 3633510 BCARMYNXHXPWIS-XMMPIXPASA-N 400.503 5.155 0 40 HKAB C[C@@H]1CCc2sc(NC(=O)c3ccc(Oc4ccccc4)cc3)c(C(N)=O)c2C1 4177455 YAMXSXIJYRMRSJ-CQSZACIVSA-N 406.507 5.016 0 40 HKAB O=C(CSc1nnc(-c2ccccc2F)o1)N(C1CCCCC1)C1CCCCC1 4186200 CPAGQKYRFRNTEF-UHFFFAOYSA-N 417.550 5.462 0 40 HKAB Cc1cccc(-n2nc3c(c2NC(=O)c2cccc(C(F)(F)F)c2)CSC3)c1 4223332 PEKOJPRDDPKDTI-UHFFFAOYSA-N 403.429 5.199 0 40 HKAB COc1ccc2[nH]c(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)nc2c1 4406358 CLGRQYMHTDZUPN-HXUWFJFHSA-N 407.470 5.183 0 40 HKAB O=C(CSc1nc2cc(C34CC5CC(CC(C5)C3)C4)ccc2o1)Nc1ccccc1 4686554 QREUAPLJTQGVAD-UHFFFAOYSA-N 418.562 6.026 0 40 HKAB CCC(=O)N(CC[C@@]1(c2ccccc2)C[C@H](C)N(C)C[C@@H]1C)Cc1ccc(OC)cc1 4785717 FWOQAZJKWCARFG-BCQCSXDESA-N 422.613 5.122 0 40 HKAB Cc1ccc(C2=NN(C(=O)c3ccccc3Br)[C@H](c3ccco3)C2)cc1 5024855 AGQQFYCPTZSHJJ-IBGZPJMESA-N 409.283 5.342 0 40 HKAB Cc1ccc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2Cl)cc1C 5417268 DKQSKBNFXHIDDH-QHCPKHFHSA-N 413.323 7.105 0 40 HKAB CC(=O)Oc1ccc(OC(C)=O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@H](C)CCC[C@@H]23)c1 5515841 JNPCOXQSZZCMMB-RLUPKPISSA-N 400.559 5.958 0 40 HKAB O=C(c1ccc(COc2cccc3ccccc23)cc1)N1CCN(c2ccccc2)CC1 5590920 QADLSKTYVVLSOA-UHFFFAOYSA-N 422.528 5.381 0 40 HKAB O=C(NCc1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl 7573127 SCNLERBFZAKGAR-FQEVSTJZSA-N 400.309 5.110 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 8200491 DJKLCEGBGCRKDQ-UHFFFAOYSA-N 410.351 5.292 0 40 HKAB C[C@H]1[C@@H]2[C@@H]3OC[C@@]1(COC(=O)Nc1ccccc1)[C@H](C)C[C@]2(C)Oc1ccccc13 8740125 UONFBIWUOHBYQS-RUPRUHKUSA-N 407.510 5.436 0 40 HKAB Cc1c(CC(=O)N2CCCC2)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12 8752018 ZFSQDYPUKKUSFR-UHFFFAOYSA-N 421.880 5.333 0 40 HKAB COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2cccc3ccccc23)c1 9327685 RZKXFHGLCVBLEL-UHFFFAOYSA-N 421.452 5.874 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Sc1nnc(C2CC2)o1)c1ccccc1 9446680 PVJOSFYBWHYLGN-MRXNPFEDSA-N 420.321 5.726 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12 9593922 METBFVWFTUABFF-UHFFFAOYSA-N 423.538 5.845 0 40 HKAB CCOC(=O)c1c(NC(=O)CSCc2ccccc2Cl)sc2c1CCCC2 9833762 IQEMGVQTHAXHJB-UHFFFAOYSA-N 423.987 5.329 0 40 HKAB Clc1cccc(-n2ncc3c(Nc4ccc(Oc5ccccc5)cc4)ncnc32)c1 10254025 IHOGLSHCBHMDAM-UHFFFAOYSA-N 413.868 6.005 0 40 HKAB NC(=O)COc1ccc(-c2cc(-c3ccccc3F)c3cc(Cl)ccc3n2)cc1 12639565 UULWIKOXZRKKEC-UHFFFAOYSA-N 406.844 5.225 0 40 HKAB C[C@@H](NC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1)c1ccc(-n2ccnc2)cc1 12761963 HNDMIJNNFYRLLW-YCABEKBOSA-N 418.497 5.026 0 40 HKAB CCCc1noc([C@H](C)Sc2nnc(-c3cccc(C)c3)n2Cc2ccco2)n1 12890845 XVGYZIVRMPYOHX-HNNXBMFYSA-N 409.515 5.084 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 13942359 MHFRLLDCECBMIV-HRFSGMKKSA-N 422.528 5.868 0 40 HKAB CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1cccc(C)c1 14082095 TYGIUAGHKFXNBL-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB COc1ccc2c(-c3ccccc3)c(C(=O)Nc3ccccc3Br)oc2c1 14185459 WFDCMYSJFMQPBC-UHFFFAOYSA-N 422.278 6.123 0 40 HKAB CCn1ncc2c(C(=O)Nc3ccc(OC(F)F)cc3)cc(-c3cccs3)nc21 14302610 MXLZFGIJFQGUKY-UHFFFAOYSA-N 414.437 5.033 0 40 HKAB COc1ccc2c(c1)c(C(=O)OCc1coc(-c3ccccc3)n1)c(C)n2C1CC1 14802810 BVCSDSIDKTVUBZ-UHFFFAOYSA-N 402.450 5.305 0 40 HKAB Cc1c(C)n(C2CCCCCC2)c2ncn3nc(-c4ccc(N(C)C)cc4)nc3c12 15842420 ZSHAEFQWXRRFHS-UHFFFAOYSA-N 402.546 5.324 0 40 HKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(Cl)cc1Cl 16227057 YKJLUGKPPARIAE-UHFFFAOYSA-N 413.260 6.063 0 40 HKAB CCOc1cc2c(cc1CN[C@H](Cc1ccsc1)c1nc(C)cs1)O[C@H](C)C2 19532533 NSFQGPGVARSDJG-DNVCBOLYSA-N 414.596 5.309 0 40 HKAB N=c1n(Cc2ccccc2)c2ccccc2n1C[C@H](O)c1ccc(Cl)c(Cl)c1 19707753 MBKSTSOMOGRYOR-NRFANRHFSA-N 412.320 5.011 0 40 HKAB O=C(CSCc1ccccc1Br)NCc1ccc(Cl)cc1Cl 20238172 CMTFKJQVVLGUDV-UHFFFAOYSA-N 419.171 5.306 0 40 HKAB Cc1nc(NC(=O)c2cc3c(F)cccc3s2)sc1-c1nccn1C(F)F 22472672 NNAPSJMJLLENNS-UHFFFAOYSA-N 408.430 5.316 0 40 HKAB CCOc1ccccc1-c1nnc(S[C@@H](C)c2nnc(-c3cccc(C)c3)o2)o1 26682085 NGVZMWGFXGAPEH-AWEZNQCLSA-N 408.483 5.347 0 40 HKAB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)C3=C[C@H](OC)[C@]12C 28629585 PKKAVGRGAYJIIP-CSAPNPRZSA-N 418.618 5.141 0 40 HKAB biogenic O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccc(Br)o1 29013043 BDWVAJXFMYKNBE-UHFFFAOYSA-N 417.206 5.437 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Cn2ccnc2)cc1 30943270 SYWVEKPTTWFCGB-UHFFFAOYSA-N 415.880 5.068 0 40 HKAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 32127579 DZSBMSFGCPGRPL-UHFFFAOYSA-N 405.527 5.019 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2ccccc2Cl)cc1OCc1ccccc1 33703359 WDDPQQYWUFEUPI-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB Cc1cccc(OCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@H]3[C@H]2c2ccco2)c1 33780085 UXJPRJBLCAUBBU-AXDLSYSPSA-N 416.477 5.383 0 40 HKAB CC(C)Oc1cccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 39762638 OYHKYUNRVHSREB-UHFFFAOYSA-N 404.913 5.117 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=S)NCc1ccc(Cn2cncn2)cc1 44072049 SCGWJWJHWRJPGT-UHFFFAOYSA-N 407.587 5.060 0 40 HKAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 59500411 AZFCXAMLNFMJJM-FGEXJBCWSA-N 413.904 5.301 0 40 HKAB biogenic O=C(Nc1nc(-c2cccc(Cl)c2)ns1)c1cccnc1Oc1ccccc1 65813206 WEPAPEFGLNYBKD-UHFFFAOYSA-N 408.870 5.298 0 40 HKAB Clc1ccc(/C=C/c2nn3c(CN4CCCCCC4)nnc3s2)c(Cl)c1 71260615 CMRMNLQHTJXJKY-SOFGYWHQSA-N 408.358 5.039 0 40 HKAB COc1ccc(Cn2c(SCc3ccc(C)c(C)c3)nc3ccsc3c2=O)cc1 71327623 JOSZNCNDTCIHGZ-UHFFFAOYSA-N 422.575 5.424 0 40 HKAB CC1(C)CC[C@@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC=CC(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 71775105 IZPGPXVZTJYAGW-FATXVQPASA-N 408.714 8.974 0 40 HKAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72214767 AUZHVZJOUBCUJV-GOSISDBHSA-N 419.566 5.695 0 40 HKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1)C1CCC1 72215440 ZIPDMUCEPWGEIK-SFHVURJKSA-N 417.550 5.448 0 40 HKAB Cc1cc(C(=O)N2C[C@@H]3[C@@H](CCC[C@]3(O)c3cccc(C(F)(F)F)c3)C2)sc1C 72340400 RZHBBUFATDTUKH-KLHJMIIUSA-N 423.500 5.144 0 40 HKAB FC(F)(F)c1ccc(Cc2cccc([C@@H]3CCCN(C4CCOCC4)C3)n2)cc1 72350106 LBHPIHNIAWWQDH-GOSISDBHSA-N 404.476 5.050 0 40 HKAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)/C=C/c1ccc(Cl)cc1Cl 95482204 OCTUYHIYRWKBBO-VQHVLOKHSA-N 422.699 5.369 0 40 HKAB CSc1ccccc1C(=O)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 96124439 HDWGJQNTPKRDRN-UHFFFAOYSA-N 418.547 5.923 0 40 HKAB O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)c1ccc(Cl)cc1 96306355 KNQSGXPMSXXVME-UHFFFAOYSA-N 408.832 5.791 0 40 HKAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H](C)c3ccccc3)CC2)n1 100738831 HUTFNZIQEOLAHD-XQFWAAQXSA-N 414.553 5.041 0 40 HKAB Cc1ccc(COc2ccc(Br)cc2CNc2ccc(C)c(C)c2)cc1 106974713 YCRQYTBNTKZPKC-UHFFFAOYSA-N 410.355 6.565 0 40 HKAB CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C 107925422 MMGWONDZNRTUDN-NRFANRHFSA-N 422.598 5.334 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)[C@H](O)CCC[C@]4(C)[C@H]3CC[C@@]21C 123250945 XHJMYRAEGCTDKQ-NBGJRJMZSA-N 404.679 6.584 0 40 HKAB CCOc1ccc(CCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1OCC 219279378 DWNKWTMJAPBAID-HXUWFJFHSA-N 411.542 5.144 0 40 HKAB O=C(Nc1ccc(OC2CCCC2)cc1)c1cccc(OCc2ccccc2Cl)c1 219844405 DEJFXHDEHXQHIY-UHFFFAOYSA-N 421.924 6.493 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)C3CCN(c4ccc(C)cc4)CC3)ccc21 219859642 QJEUANJAMKFEKM-UHFFFAOYSA-N 411.549 5.978 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C)c1ccccc1C 222869804 FQDGJZTWGRTEDP-NRPPHEFGSA-N 418.562 5.403 0 40 HKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 224957833 KSFYRYOMYULRNL-INIZCTEOSA-N 419.959 5.280 0 40 HKAB O=C(Nc1ccc(N2CCOCC2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 224981650 VJPOKPKOIUNMQY-PTGBLXJZSA-N 418.924 5.356 0 40 HKAB O=C(c1ccc(NC(=S)NCCCSC2CCCCC2)cc1)N1CCCCC1 225591954 QTOXUULXWPHEDQ-UHFFFAOYSA-N 419.660 5.055 0 40 HKAB COC1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCCCCC1 225631758 ZEDZCGVTSXDRJK-UHFFFAOYSA-N 402.579 5.009 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225653606 UAHSICXXFVUCJK-SANMLTNESA-N 411.586 6.587 0 40 HKAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1cccc(OCc2ccccc2Cl)c1 225779559 RVYFEEJTACXNFR-IBGZPJMESA-N 421.968 6.405 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(C)c(Cl)c2)c1 408696830 CIKKFSWGQMCHJD-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccccc2)cc1 408699680 YNABZHSXTPXRST-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccc(Br)cc1 409045543 ZCHICEYGVSSWIN-UHFFFAOYSA-N 413.262 6.643 0 40 HKAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)c1ccccc1Cl)C2 643578076 CFEYPKOQJVKZDK-UXHICEINSA-N 411.977 5.039 0 40 HKAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2Cl)cc(OC)c1OC 645842 RLGHQKWZPQUGQE-JOCHJYFZSA-N 424.884 5.137 0 40 HKAB COP(=O)(OC)[C@H](OC(=O)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 2144671 ARJJOGOTXIUNPF-VIFPVBQESA-N 411.005 5.071 0 40 HKAB CC(C)CCOC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 2246731 APGHXDRLZXUOPA-UHFFFAOYSA-N 422.916 5.071 0 40 HKAB COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1ccc(Br)cc1 2275808 HKAVYILUCSWMAE-HXUWFJFHSA-N 409.283 5.229 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1cc(Br)c(Br)s1 2651774 HFSOLSRCPZMGPE-UHFFFAOYSA-N 417.166 5.650 0 40 HKAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1nc2ccccc2[nH]1 2664417 ZRYNVJIJTOYGAW-INIZCTEOSA-N 410.827 5.310 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)c3ccccc3n2)cc1 2742260 VRGWUKGJNBRKOF-UHFFFAOYSA-N 417.306 6.225 0 40 HKAB Cc1ccc(C)c(NP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)c1 3177088 QRIRYYAZKZFFLZ-UHFFFAOYSA-N 409.466 7.215 0 40 HKAB COc1ccc([C@@H]2NCCc3c2[nH]c2ccccc32)cc1COc1ccc(Cl)cc1 4029420 JAQCOYLHOAAQMC-DEOSSOPVSA-N 418.924 5.644 0 40 HKAB biogenic O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc(Oc2ccccc2)cc1 4348625 TXLSIAUMNMVFEZ-UHFFFAOYSA-N 404.447 5.112 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1cc(Br)ccc1Cl 4853192 DXKIYNWQDGIERS-UHFFFAOYSA-N 400.659 6.254 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(-c3ccco3)n2C)c2ccccc2)c1 4923710 BHRCYSKJNIWBTF-HXUWFJFHSA-N 418.522 5.164 0 40 HKAB O=C(C1CCCCC1)N1N=C2/C(=C/c3cccs3)CCC[C@H]2[C@@H]1c1cccs1 5447388 RERCCWDBYQQMRQ-KYIXNBJTSA-N 410.608 6.513 0 40 HKAB CCC(=O)N1c2ccccc2[C@H](N(C(=O)c2cccs2)c2ccccc2)C[C@H]1C 5484859 SPCRETWFWXOSRM-DYESRHJHSA-N 404.535 5.671 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(/C=C/c2ccc(Cl)c(Cl)c2)o1 5767080 ZZCLSMYHLAYUMZ-KRXBUXKQSA-N 409.660 5.844 0 40 HKAB CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1C 6207371 IQQKGXGCWMJIJW-UHFFFAOYSA-N 418.537 5.640 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 6603805 MOWJKPWMPKKQQP-GDXASINISA-N 414.332 7.419 0 40 HKAB CCCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)cc1 6752940 AGVLGSAQGHYIIU-XMMPIXPASA-N 419.525 5.307 0 40 HKAB CCOC(=O)c1sc2nc(C)nc(S[C@H](C)c3ccccc3Cl)c2c1C 6787442 XECFQPBVIQNCDQ-LLVKDONJSA-N 406.960 5.992 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2cccs2)cc1 6966139 OKRXHBVZLVRSEQ-VWLOTQADSA-N 410.542 6.422 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)cc2)cc1 7882218 ROTVJCGUJQTFIE-KRWDZBQOSA-N 420.896 5.432 0 40 HKAB Fc1cccc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)c1F 8324307 YCYDPQZVPFFHRP-UHFFFAOYSA-N 407.873 5.416 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(C(=O)OCc3ccc(Br)cc3)c2)cc1 8451519 JQWBCUUZTNUCEW-UHFFFAOYSA-N 424.294 5.367 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1c1ccc(Cl)cc1 8755774 RVZXXJKDSVEFKR-QGZVFWFLSA-N 419.887 5.398 0 40 HKAB FC(F)(F)c1cc(C(F)(F)F)c2ccc3nnc(-c4ccc(Cl)cc4)n3c2n1 8781668 HHEQYXDRIOMZFT-UHFFFAOYSA-N 416.712 5.636 0 40 HKAB CCCCc1cc(=O)oc2cc(C)c3c(c12)OC1(CCC(C(C)(C)C)CC1)CC3=O 8992085 JJWZIEIIOYWWIQ-UHFFFAOYSA-N 410.554 6.384 0 40 HKAB CC(C)c1cc(C(=O)N[C@@H](C)c2nc3ccccc3n2C(F)F)c2ccccc2n1 9115202 TZLJOMYANTXIMU-AWEZNQCLSA-N 408.452 5.594 0 40 HKAB Cc1cccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccc(C)c(C)c2)c1 9374761 NQYQEPNJIPRTQG-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)/C=C/c1ccc(F)cc1)CC2 9513066 GLMCQGXYZBJUDR-VFUOJUBFSA-N 423.509 5.092 0 40 HKAB O=C(CC1c2ccccc2Oc2ccccc21)Nc1ccccc1Sc1ccccc1 9972568 MUDCLDHDAJDIDI-UHFFFAOYSA-N 423.537 7.104 0 40 HKAB Cc1ccc(-n2ncc3c(Nc4ccc(Br)c(C)c4)ncnc32)cc1C 10253627 VCFVJGKBKINOOM-UHFFFAOYSA-N 408.303 5.247 0 40 HKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 10328100 VISHMAIXWABSSF-UHFFFAOYSA-N 414.549 5.485 0 40 HKAB O=C(CCS[C@@H]1CCc2ccccc2NC1=O)Nc1cc(Cl)ccc1Cl 12390435 SEEFFJDPERGMBA-QGZVFWFLSA-N 409.338 5.009 0 40 HKAB O=C(Cc1noc2ccccc12)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 12793893 PNQKXTFEACFPJQ-UHFFFAOYSA-N 418.305 5.363 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(c1ccccc1)c1nc(C)cs1 12950396 FFWVLBKRTYTONH-OAQYLSRUSA-N 403.507 5.080 0 40 HKAB O=C(c1cc(F)ccc1Br)N1CCC[C@H](c2nc3ccccc3s2)C1 12979363 ZYGMISPMUFKBPS-LBPRGKRZSA-N 419.319 5.218 0 40 HKAB CCCSc1nc(NCc2ccccn2)c2c3c(sc2n1)CO[C@](C)(CC)C3 13228253 JJAAUCPXLZVWEM-OAQYLSRUSA-N 414.600 5.442 0 40 HKAB Cc1ccc(Oc2ccccc2NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 14158101 WCRZNIVNKQNXDS-OAQYLSRUSA-N 404.491 5.229 0 40 HKAB CCn1c(SCc2cc3ccc(C)c(C)c3nc2Cl)nnc1-c1ccncc1 14850758 PBCPPLJRLHETAZ-UHFFFAOYSA-N 409.946 5.471 0 40 HKAB O=C1Nc2ccc(Br)cc2/C1=C/c1ccc(-c2cccc(Cl)c2)o1 15016056 OGNANFLVSJWGAP-YBEGLDIGSA-N 400.659 5.855 0 40 HKAB Cc1cc2oc(C(=O)N(Cc3ccc(Cl)cc3)C[C@H]3CCCO3)c(C)c2cc1C 15832017 KXRPOLGVPVOQGF-HXUWFJFHSA-N 411.929 5.833 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3cccnc3)C[C@@H]21 16739443 LLRGCXNJMOOSRO-NZQKXSOJSA-N 405.885 5.376 0 40 HKAB Cc1ccc(OCc2nnc(SCc3cc(C)ccc3C)n2-c2ccccc2)cc1 16789356 APELXHIZXVRQJC-UHFFFAOYSA-N 415.562 6.064 0 40 HKAB CCOc1ccc(N/C=C2/C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)cc1 17824568 QMYUHOPNTKNPAB-HMMYKYKNSA-N 418.880 5.379 0 40 HKAB O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 17960293 GKEYXRFBNBSRRH-UHFFFAOYSA-N 420.563 5.164 0 40 HKAB O=C(Cc1cccc(F)c1)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1 20530541 NIEZDBXGQQYMEU-UHFFFAOYSA-N 419.481 5.349 0 40 HKAB C[C@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)Nc1ccc(F)cc1F 22189185 JOCBYPQFSMONQY-LBPRGKRZSA-N 411.433 5.287 0 40 HKAB COc1ccc(C)cc1NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 22475158 CGIZNQJOCQWJEG-UHFFFAOYSA-N 406.429 5.707 0 40 HKAB Cc1sc(NC(=O)c2cc(Cl)ccn2)nc1-c1ccc(Br)cc1 22582258 NDBXOGPTEQQKSX-UHFFFAOYSA-N 408.708 5.182 0 40 HKAB CC(C)COc1ccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 28288669 NVZRLHHXYUJGPJ-VWLOTQADSA-N 422.613 5.586 0 40 HKAB COc1ccc([C@H]2CCCN2[C@H](C(=O)O)c2c[nH]c3ccccc23)c2ccccc12 35105642 GOWTWRWLJRTLTD-VWNXMTODSA-N 400.478 5.293 0 40 HKAB O=C(Nc1sc2scc(-c3ccccc3)[n+]2c1-c1ccccc1)c1ccccc1 35681844 XDDNTMZKQPKGQG-UHFFFAOYSA-O 413.547 6.135 0 40 HKAB O=C(Nc1ccc(Cl)cc1)N[C@H](Cc1ccc(O)cc1)c1nc2ccccc2[nH]1 40156773 UDIVETQFIMVHQR-HXUWFJFHSA-N 406.873 5.027 0 40 HKAB O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)c1ccc(F)cc1 59489716 QSQPKNOFIQYDJJ-UHFFFAOYSA-N 422.506 5.663 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(Cl)cc3C)oc12 67293622 RVMZXEHIRWDOGB-RWEWTDSWSA-N 419.868 5.283 0 40 HKAB CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccc(F)cc3[nH]2)C[C@H]1C(C)C 72320858 KDZDAAUYMMCLCJ-ZJOUEHCJSA-N 413.581 5.652 0 40 HKAB biogenic,in-vitro O=C(CCCc1ccc(F)cc1)N1CCC[C@@H](c2ccc(Nc3ccccn3)cn2)C1 72353414 KOYNUVDMBBVRDX-HXUWFJFHSA-N 418.516 5.088 0 40 HKAB O=C(c1ccccc1)N1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358471 CNKTYGIEFRVDIH-SFHVURJKSA-N 411.427 5.182 0 40 HKAB N=c1c2c(ncn1Cc1ccccc1)Oc1cc(O)ccc1[C@@H]2c1ccc(Cl)cc1 101358918 VDGOHEFECBCGHA-NRFANRHFSA-N 415.880 5.056 0 40 HKAB C[C@@]12CC3CC(C(=O)Nc4nc5ccc(Br)cc5s4)(C1)C[C@@](C)(C3)C2 102102132 FWSFDMSBICPTCC-PHVGPVDVSA-N 419.388 5.994 0 40 HKAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OCC(C)C 106681782 GEXGRBOPJCPGKJ-BKUYFWCQSA-N 411.523 5.357 0 40 HKAB CCCCCCCCCCCC(=O)O[C@@H](C(C)C)[C@@H](OC(=O)C(C)C)C(=O)O 205511095 FLVBOVQKMCPBFE-VQTJNVASSA-N 400.556 5.128 0 40 HKAB biogenic,in-vitro O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc(OCc2ccccc2Cl)c1 219839583 BODTVEDWYPCHLG-UHFFFAOYSA-N 405.803 6.190 0 40 HKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(Cl)ccc2C)o1 222896440 SQFVYQLVDFDXPX-RTWAWAEBSA-N 411.958 5.686 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 222941425 OPZSTDOBWRVBFP-OAQYLSRUSA-N 421.541 5.159 0 40 HKAB CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 223343174 SVMKVZUVDHWHKA-AREMUKBSSA-N 414.549 5.181 0 40 HKAB C[C@H]1CCCN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCCC3)cn2)C1 223993252 GXTOSAGAMKWSEN-FQEVSTJZSA-N 422.642 5.506 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1cccc(OC)c1 224586442 UVAXGKJCKQJOFL-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(SC)c3)o2)c1 224901731 DYTQFLBKDAVUOR-UHFFFAOYSA-N 416.502 5.991 0 40 HKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2sccc2C)cc1Cl 224947818 TWUPQZMCMVJGFH-ZWKOTPCHSA-N 415.971 5.291 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccc(OC)cc2)cc1C 224951476 MOCXNSZUKISMJB-UHFFFAOYSA-N 411.885 6.100 0 40 HKAB COc1ccc(NC(=S)NCCSCc2ccccc2Cl)c2cccnc12 225297977 NDWNNGQHBJCAST-UHFFFAOYSA-N 417.987 5.117 0 40 HKAB C[C@@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 225520223 YSWZGBCBLCZHGB-HXUWFJFHSA-N 424.560 5.529 0 40 HKAB CC[C@@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccc(OC)c(C)c1 225541456 OMZHGZOLTJQXBF-GOSISDBHSA-N 420.347 5.029 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C(=O)OCC 225678512 NQFZAMPGWOKSFE-UHFFFAOYSA-N 423.553 5.801 0 40 HKAB Cc1ccc(C(=O)N2CCC[C@]3(CO[C@@H](c4ccc(F)cc4)[C@H](C(C)C)C3)C2)cn1 257285130 PFULSJSKHJZLTH-SONWIMMPSA-N 410.533 5.185 0 40 HKAB Cc1ccc(CNC(=S)c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408574692 MGSVZJDSXXBNHU-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB Cc1cc(Br)ccc1NCc1ccc(OCc2ccccc2)c(Cl)c1 408602981 ABMRXFWZRALGCN-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB CCc1cccc(C)c1NC(=O)c1cc(Cl)c(OCc2ccccc2)c(OC)c1 408625118 WVYSQQDHTMZQKD-UHFFFAOYSA-N 409.913 6.051 0 40 HKAB CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O 409073102 XHCDSZIYDNCLCB-LICLKQGHSA-N 408.306 5.629 0 40 HKAB O=C(Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2)c1ccc(Cl)cc1 409120763 TTWUTHQQQGCBCM-UHFFFAOYSA-N 416.974 5.595 0 40 HKAB CCc1ccccc1NCc1ccc(OCc2cccc3ccccc23)c(Cl)c1 409121847 YFOFGAMBHLDNDU-UHFFFAOYSA-N 401.937 7.247 0 40 HKAB CCCN1CCCCCOc2ccc(C(=O)N3CCCC3)cc2Cc2cccc(c2)C1 643579850 HTWVNWNBICZGHC-UHFFFAOYSA-N 420.597 5.288 0 40 HKAB O=S(=O)(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(F)c(Cl)c1 630183 ONPQGMYQMMQTCQ-UHFFFAOYSA-N 418.902 5.557 0 40 HKAB CC(C)CC(=O)NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1Cl 724357 HBSDUBRPOGEZIA-UHFFFAOYSA-N 403.960 5.476 0 40 HKAB Cc1cccc(C)c1NC(=O)[C@H](c1ccc(Cl)cc1)N1C(=O)C[C@H]1c1ccco1 1071238 JWAWTHJEYZWRFR-AVRDEDQJSA-N 408.885 5.203 0 40 HKAB CCCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c1 2050777 JQWBTUBZIJFBIC-UHFFFAOYSA-N 414.505 6.461 0 40 HKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2ccc(F)cc2F)C4)cc1 2112429 JXSCUIVTIWDPBB-UHFFFAOYSA-N 421.399 5.103 0 40 HKAB biogenic COc1ccc2c(c1)O[C@](c1ccc(C)cc1)(C(F)(F)F)N=C2Nc1ccccc1 3179988 UHLXDXAGRGAFSP-JOCHJYFZSA-N 412.411 5.670 0 40 HKAB COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2cccc(F)c2)c1 3220542 VQOZVPRLIMAYRG-UHFFFAOYSA-N 405.347 5.898 0 40 HKAB CCN(C(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)c1ccccc1 3250498 HDKPBQNBDIAEIX-UHFFFAOYSA-N 424.500 5.420 0 40 HKAB Cc1cc(C(=O)O[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c(C)o1 3253194 WAGQFENZSIHEGF-IBGZPJMESA-N 417.383 5.452 0 40 HKAB O=C(Nc1ccccc1N1CCCCC1)c1ccccc1OCc1ccccc1Cl 3333223 SERRIKCGOQRQAP-UHFFFAOYSA-N 420.940 6.162 0 40 HKAB CCCCOc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(F)cc3)no2)cc1 4345711 BFABCJHENDWAAN-HXUWFJFHSA-N 409.461 5.032 0 40 HKAB O=c1c2c(nc(SCc3cccc(Cl)c3)n1CCc1ccccc1)CCS2 4358814 JIZDESOLPVORRC-UHFFFAOYSA-N 414.983 5.080 0 40 HKAB CC(=O)n1nc(NCc2ccc(C(C)C)cc2)nc1NCc1ccc(C(C)C)cc1 4703246 CUHJDASZIJCQGW-UHFFFAOYSA-N 405.546 5.409 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)/C(Br)=C\c1ccccc1 4749810 NLOHILYCUOOSJA-RCCKNPSSSA-N 408.295 5.640 0 40 HKAB COc1cccc(Cn2c(C(=O)OC(C)C)cc3c2ccn3-c2ccc(F)cc2)c1 4932166 ZDEIXWVIPNIZMW-UHFFFAOYSA-N 406.457 5.193 0 40 HKAB COc1ccc(NC(=O)CSc2cc(C)c(Br)cc2C)cc1Cl 4950363 SHBJDGYUBJUJMQ-UHFFFAOYSA-N 414.752 5.459 0 40 HKAB COc1ccc(CCn2c(C)cc(C(=O)COC(=O)c3ccc(C)c(C)c3)c2C)cc1 5778178 WXHSTUMLVUFLPF-UHFFFAOYSA-N 419.521 5.013 0 40 HKAB Cc1occc1-c1nnc(SCCCC(=O)c2cccs2)n1-c1ccccc1 5883064 PYJRSSOLINSADM-UHFFFAOYSA-N 409.536 5.652 0 40 HKAB C=CCn1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 6295898 GTLQOGAXGCWYJD-UDWIEESQSA-N 408.910 5.717 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)sc2c1CCC2 6892069 UPDGZHLCVWEKSR-UHFFFAOYSA-N 409.507 5.543 0 40 HKAB CCOc1ccccc1NC(=O)CSC1=NC2(CCCCCC2)Nc2ccccc21 6901987 FVUZOHUBBGUKJY-UHFFFAOYSA-N 423.582 5.680 0 40 HKAB CCc1ccc(-c2noc(CSc3nnc(NCc4ccccc4)s3)n2)cc1 6991712 FFZPAKGTQRVCPD-UHFFFAOYSA-N 409.540 5.055 0 40 HKAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(N2CCCCCC2)cc1 8146613 PJODZBKPLIIMBB-UHFFFAOYSA-N 402.542 5.181 0 40 HKAB Cc1cc(CSc2nnc(Cc3cccc4ccccc34)n2C2CCCCC2)on1 8156893 IFETXQUDXMFBAT-UHFFFAOYSA-N 418.566 6.116 0 40 HKAB CCOCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 8253161 JGWHVUNYZAGMCH-UHFFFAOYSA-N 402.749 5.742 0 40 HKAB COc1ccc(-c2cn3c(ccc4c(C(F)(F)F)cc(C(F)(F)F)nc43)n2)cc1 8733680 GNMSBZKTNHGQSC-UHFFFAOYSA-N 411.305 5.596 0 40 HKAB Cc1ccc([C@H]2CC(O)=Nc3c2c(-c2ccccc2)nn3-c2nc(C)cc(C)n2)cc1 8991292 CBTYAWDINGWCIA-HXUWFJFHSA-N 409.493 5.378 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)C(=O)Nc1cc(C)ccc1O2 9134962 LBFZBAFZFCTRCN-UHFFFAOYSA-N 408.841 5.267 0 40 HKAB COc1cc(C2SCCS2)ccc1Oc1nc(C(F)(F)F)nc2ccccc12 9740963 LPXTWPHNJRNMGA-UHFFFAOYSA-N 424.469 5.928 0 40 HKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 12137121 WEJOUJTVPVNFTL-JOCHJYFZSA-N 408.542 5.196 0 40 HKAB Cc1ccc2c(c1)nc(-c1cccnc1)n2-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 12497468 CMLMYVSPDSSMAG-UHFFFAOYSA-N 413.565 6.697 0 40 HKAB CSCC[C@H](NC(=O)Cc1c(Cl)cccc1Cl)c1nc2ccccc2[nH]1 12546417 OMXSJDFVDJNXJC-KRWDZBQOSA-N 408.354 5.023 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN[C@H](C)c4ccc(F)cc4)[nH]c(=O)c23)cc1 12782633 GLEACXFUSNJHJK-CQSZACIVSA-N 407.514 5.258 0 40 HKAB CC[C@@H](C)[C@@H](C(=O)OCC(=O)c1ccc(NC(=O)C(C)(C)C)cc1)c1ccccc1 12815962 LWNBBPLAEOEZHK-VGOFRKELSA-N 409.526 5.227 0 40 HKAB Cc1c(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)[nH]c2c1C(=O)CC(C)(C)C2 12979721 MZHXWYJWLQHYGF-KRWDZBQOSA-N 421.566 5.455 0 40 HKAB CSc1nc(-c2ccco2)nc(C)c1C(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 13000815 HLQOUGGBIUCCIK-NSHDSACASA-N 421.444 5.277 0 40 HKAB CCCc1noc([C@H](C)Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)n1 13003259 MKUVCSYEFMLGCW-HNNXBMFYSA-N 423.517 5.321 0 40 HKAB Cc1oc(-c2ccccc2)nc1CS[C@@H](C)C(=O)Nc1c(Cl)cccc1Cl 13018196 BXKWBDPBKHWMSX-ZDUSSCGKSA-N 421.349 6.217 0 40 HKAB COc1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1 13061161 XPBXTWFAEMYLMQ-UHFFFAOYSA-N 418.493 5.088 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)[C@@H](C)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 13098007 BVHIJKZERDRUSN-YLJYHZDGSA-N 409.574 5.023 0 40 HKAB O=C(Nc1cccc2ncccc12)c1ccc(Cl)c(NC(=O)c2cccs2)c1 14118368 IEFAGKHQGBANRQ-UHFFFAOYSA-N 407.882 5.454 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)/C(=C/c1ccccc1Cl)c1ccccc1 14413029 CDXIKHOOPWRLMU-SFQUDFHCSA-N 402.708 6.826 0 40 HKAB CCOc1ccc(-c2nc(NC(=O)c3ccccc3Br)sc2C)cc1 14501998 GNKQCFJUXQJAPY-UHFFFAOYSA-N 417.328 5.532 0 40 HKAB O=C1C[C@H](c2ccc(F)cc2F)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15081844 HBQYIJFTCRWWCL-CYBMUJFWSA-N 403.381 5.005 0 40 HKAB COc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cs2)cc1 15832714 QBDCLODACPSKBM-MRXNPFEDSA-N 424.566 5.200 0 40 HKAB CCOP(=O)(OCC)[C@@H](/C=C(\Cl)c1ccc(Cl)c(Cl)c1)N(C)C 19593825 QSORDAJBLZRDQT-WVUXNXBLSA-N 400.670 5.727 0 40 HKAB Cc1cc(C)cc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1 20046227 CGVXEMUQRLMXDR-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O[C@@]1(c2ccc(Cl)c(Cl)c2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 22408801 TTWUILXRERVXHL-HXUWFJFHSA-N 410.752 5.297 0 40 HKAB CCc1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccc(OC)cc3)on2)cc1 28286958 SMHFRRROOLMXGB-UHFFFAOYSA-N 416.477 5.348 0 40 HKAB O=C(COc1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 32623022 JOAOLKFVKNPLFM-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2cc(C)ccc2C)cc1OCC 33740240 GINUGLWEEMPZCS-UHFFFAOYSA-N 406.320 5.506 0 40 HKAB O=C(c1ccc2ccccc2n1)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 34895780 IFGSFQHMGLJNCZ-SXCLQXCESA-N 423.472 5.858 0 40 HKAB CCn1c2ccccc2c2cc(NC(=S)Nc3ccccc3C(F)(F)F)ccc21 67219657 PGKHLAVIPVFNFS-UHFFFAOYSA-N 413.468 6.642 0 40 HKAB Cc1ccc(OCC(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)cc1 72228770 XZVCVGILZYYKKF-UHFFFAOYSA-N 420.538 5.042 0 40 HKAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)COc4ccccc4C)c(C)c3s2)n1 72228773 IMMBFULXEFVBEU-UHFFFAOYSA-N 420.538 5.042 0 40 HKAB CC(C)=CCC/C(C)=C\CC/C(C)=C/CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 77922775 FGYKUFVNYVMTAM-XBKCXTRYSA-N 410.642 8.292 0 40 HKAB O=C(Cc1cccc2ccccc12)Nc1ccccc1Cc1nc(-c2ccco2)no1 96119673 MIQQBUUOTAWATL-UHFFFAOYSA-N 409.445 5.255 0 40 HKAB O=C(NCc1cccs1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 96154469 UKYGUVCXGZLDBP-UHFFFAOYSA-N 417.515 5.610 0 40 HKAB Fc1ccc2c(CCn3c(-c4ccccc4)cs/c3=N\c3ccccc3)c[nH]c2c1 101379495 JUBDXVCWZXYZLM-FVDSYPCUSA-N 413.521 6.312 0 40 HKAB O=C(c1csc(-c2ccccc2)n1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219308073 AEGZQERSLXDMKM-LJQANCHMSA-N 416.518 5.409 0 40 HKAB Cc1cc(CN(C(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)C(C)C)c(C)n1C 222561963 OELXHYDBEXCOAN-UHFFFAOYSA-N 400.954 5.277 0 40 HKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)c1 224526911 ANQMBCSMJXSHQO-GOTSBHOMSA-N 418.566 5.184 0 40 HKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224763643 IAEAAKUINSGNSY-OAQYLSRUSA-N 422.613 5.169 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c1 225506158 XTGPPFJNXBMJKF-HSZRJFAPSA-N 418.562 5.556 0 40 HKAB C[C@@H]1[C@@H](N2C(=O)C3=C(CCCC3)[C@H]2N(c2ccccc2)c2ccccc2)CCC[C@H]1C 257173009 AANXUIWCACPJNG-OTOHDBPVSA-N 414.593 6.688 0 40 HKAB FC(F)(F)c1cccc(Cc2ccc([C@H]3CCCN(CCc4ccccc4)C3)nc2)c1 257291904 QJEPVYFFMZDZER-QHCPKHFHSA-N 424.510 6.113 0 40 HKAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408646765 WHYRHHIVBCWEAB-OAHLLOKOSA-N 405.325 5.110 0 40 HKAB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 409201820 OCEHUECPEPSUJJ-ZHZULCJRSA-N 415.942 6.146 0 40 HKAB Cc1ccc(S[C@@H](CS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 409219327 POGQERNADONBHO-NRFANRHFSA-N 402.968 5.956 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 409257578 TZRFGGGXEAIDEY-UHFFFAOYSA-N 408.929 5.840 0 40 HKAB CC(=O)N1CCC[C@H]1CCc1ccc(Nc2ncc(-c3ccc(F)cc3)s2)nc1 585262768 DHFQJWPLLGSYTA-IBGZPJMESA-N 410.518 5.031 0 40 HKAB Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)c1onc2c1CCCC2 1615613107 PPVYZCNRGPZNCA-LLVKDONJSA-N 401.919 5.130 0 40 HKAB C[C@@H](Cc1cccc2c1CCCC2)NC(=O)OCC1c2ccccc2-c2ccccc21 1911925567 YQTGNBVXQVNKIK-IBGZPJMESA-N 411.545 6.035 0 40 HKAB O=C(Nc1nc(-c2ccccc2)cs1)c1sc2cccc(Cl)c2c1Cl 649076 SVOKIQKMTXHKAQ-UHFFFAOYSA-N 405.331 6.584 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cccc(Br)c1 865343 UOXUGSGUBRPUGQ-UHFFFAOYSA-N 411.230 5.649 0 40 HKAB COc1ccc([C@]23C[C@H](C)Sc4ccccc4N2C(=O)[C@H]3Oc2ccccc2)cc1 1006229 ODFJXRMKCCRMBW-YRSQORNKSA-N 417.530 5.269 0 40 HKAB O=C(c1ccccc1F)N1CCc2cc(-c3csc(Nc4ccccc4)n3)ccc21 1354463 BCAFATVZFGJLGI-UHFFFAOYSA-N 415.493 5.896 0 40 HKAB O=C(N[C@@H](Nc1cc(Cl)ccc1Cl)C(=O)c1ccccc1)c1cccs1 1452572 BNBDWDYYHWSFPT-GOSISDBHSA-N 405.306 5.106 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(Cc4ccc(Cl)c(Cl)c4)c(=O)c23)C1 1785003 AYZXVPVKKSGANU-GFCCVEGCSA-N 422.381 5.359 0 40 HKAB COc1ccc(-n2c(SC)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1 1825154 XJGVVCXTYSANEG-UHFFFAOYSA-N 418.562 5.388 0 40 HKAB biogenic COc1cccc(COc2ccc3c(=O)c(Oc4ccccc4OC)c(C)oc3c2)c1 2100217 NZHBKLYEYLHJQS-UHFFFAOYSA-N 418.445 5.490 0 40 HKAB biogenic O=C1C(Nc2ccc(F)cc2)=C[C@H](c2cccc3ccccc23)N1c1ccc(F)cc1 2199450 METYVPSEMBRFDJ-RUZDIDTESA-N 412.439 6.202 0 40 HKAB CCCCCCOC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 2234493 CWYAXJVRGCUTQU-UHFFFAOYSA-N 422.916 5.546 0 40 HKAB CCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCCC1)Cc1ccccc1-2 2299002 NIEMIKPXEUSWHV-UHFFFAOYSA-N 416.590 6.078 0 40 HKAB biogenic Fc1ccc(N2CCN(c3ccc(F)cc3)C2c2ccc(Br)cc2)cc1 2311866 VBPDEUQUEKUXRW-UHFFFAOYSA-N 415.281 5.753 0 40 HKAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(Cl)cc1)N(c1ccccc1)C(=O)C2 2409750 ZVLQPSVLHGPCNM-VWLOTQADSA-N 421.924 5.816 0 40 HKAB O=C1/C(=C\c2ccccc2)c2ccccc2C(=O)N1OCc1ccc(Cl)cc1Cl 3052631 ILAMOZJQLGGPPM-NDENLUEZSA-N 424.283 5.648 0 40 HKAB O=C(c1ccccc1Nc1ccc(SC(F)F)cc1)N1CCCc2ccccc21 3164031 NMFANQYASKVURG-UHFFFAOYSA-N 410.489 6.338 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3c(C)cc(C)cc3C)c2)c(C)c1 3242236 LDDGCUTXFMKQIH-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB O=C(Nc1cccc(Cl)c1)C(=Cc1cccs1)C(=O)Nc1cccc(Cl)c1 3339251 IXEQHADEERPCSI-UHFFFAOYSA-N 417.317 5.716 0 40 HKAB Cc1nc(S[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)nc(C)c1C 3362765 JSBLUHFVTRAQIZ-HXUWFJFHSA-N 405.567 5.111 0 40 HKAB Brc1ccccc1-c1nnc(CSc2nc3ccccc3s2)o1 3397585 VKBPVYWJDQPGQN-UHFFFAOYSA-N 404.314 5.401 0 40 HKAB Cc1ccc(N2C(=O)C[C@@H](C(=O)NCc3ccc(Cl)cc3)[C@H]2c2cccs2)cc1 3437998 DJWAHKMPKKTARQ-KNQAVFIVSA-N 424.953 5.121 0 40 HKAB Cc1ccc2nc(Nc3ccc(N(C)C)cc3)c(Nc3ccc(N(C)C)cc3)nc2c1 4046440 PRUDRRUSIMIIAI-UHFFFAOYSA-N 412.541 5.557 0 40 HKAB O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1ccc(Cl)cc1 4069855 NAMRASKZGRGOEJ-UHFFFAOYSA-N 406.894 6.508 0 40 HKAB Cc1cccc(-n2nc3c(c2NC(=O)C24CC5CC(CC(C5)C2)C4)CSC3)c1C 4088811 WUIQYCYCCZTRGS-UHFFFAOYSA-N 407.583 5.391 0 40 HKAB Fc1ccc(-c2cn3nc(-c4ccc(Br)cc4)n4c3c2CCCC4)cc1 4159163 CHHLMZIPIYIPPK-UHFFFAOYSA-N 410.290 5.708 0 40 HKAB Cc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc(F)c2)cc1 4230940 ZMYJKBWNBXJGFG-UHFFFAOYSA-N 414.480 5.127 0 40 HKAB COc1ccc([C@H]2CC(c3ccccc3)=NN2c2c(F)c(F)cc(F)c2F)cc1 4613832 XXMWGJFKNZHLKN-LJQANCHMSA-N 400.375 5.607 0 40 HKAB O=C(c1ccccc1)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 4618399 NOJFOUZAYUHNHP-UHFFFAOYSA-N 406.290 5.025 0 40 HKAB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(OC(C)C)cc4)cc3n2)cc1 4723347 IBFFYBQWGBGTSK-UHFFFAOYSA-N 400.482 5.022 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccc(Cl)c(Cl)c2)on1 4881170 JZAHXOBMAVVYHL-UHFFFAOYSA-N 401.171 5.920 0 40 HKAB C[C@H](Sc1nc(O)c2ccccc2n1)C(=O)N(c1ccccc1)c1ccccc1 4999441 UVUMOKBXLPNOOR-INIZCTEOSA-N 401.491 5.181 0 40 HKAB Fc1ccc(CNc2nc3c(-c4ccc(Cl)cc4)nnn3c3ccccc23)cc1 5035213 GXVCOOCTSHHICF-UHFFFAOYSA-N 403.848 5.349 0 40 HKAB Clc1ccc(-c2cn3c4ccccc4n(CCN4CCCCC4)c3n2)cc1Cl 5757313 DVTIOMHLBAHIJF-UHFFFAOYSA-N 413.352 5.749 0 40 HKAB COc1cc(C)c(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1C(C)C 5792823 GNIBUSQKFAEICQ-JAIQZWGSSA-N 415.942 6.017 0 40 HKAB CCCCN(CCCC)[C@H](C(=O)Nc1ccc(OC)c(Cl)c1)c1ccccc1 5938727 MDXICUWTOGCNAC-QFIPXVFZSA-N 402.966 5.931 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)cc2OC)N3)C1 6396193 AJCCTVNKUQXJLC-ZUOKHONESA-N 414.571 5.735 0 40 HKAB CCOC(=O)c1cnc2cc(-c3ccc(C(C)(C)C)cc3)nn2c1-c1ccc(C)cc1 6656159 XXGWNFYOSLAUAE-UHFFFAOYSA-N 413.521 5.846 0 40 HKAB COc1ccc(NC(=O)c2ccc3nc(-c4ccoc4)c(-c4ccoc4)nc3c2)cc1 6678091 MELBTNMLXQODDP-UHFFFAOYSA-N 411.417 5.411 0 40 HKAB COc1ccccc1NC(=O)Cc1nc(-c2ccccc2)sc1-c1ccc(C)cc1 6840062 CJRYSNGSYCZBNR-UHFFFAOYSA-N 414.530 5.975 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 6852964 OKWAMYUQJJCLMG-ALHSRBLQSA-N 408.369 5.736 0 40 HKAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@@H]1c1nc2ccccc2s1 7217400 AXZFAAMBJMEUKQ-CQSZACIVSA-N 413.351 5.129 0 40 HKAB Cc1cc(C)nc(SCc2ccccc2C(=O)N2CCCSc3ccccc32)n1 7718933 XFUPROMSFLKHEP-UHFFFAOYSA-N 421.591 5.528 0 40 HKAB COc1ccc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)cc1Br 8160132 BGEKRJAOZYOUBV-QGOAFFKASA-N 406.279 5.677 0 40 HKAB Cc1cc(CSc2ccccc2C(=O)N(C)Cc2nc3ccccc3s2)no1 8265666 HBLMZMZVMRJUJC-UHFFFAOYSA-N 409.536 5.157 0 40 HKAB O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1cc(Br)ccc1Cl 9367654 LKVCTABRYGXABI-UHFFFAOYSA-N 412.671 5.012 0 40 HKAB COc1ccc(Cl)cc1-n1c(SCCC(C)=O)nnc1-c1cccc(Cl)c1 9671091 RXQYXNCVAYPCRU-UHFFFAOYSA-N 422.337 5.321 0 40 HKAB COc1ccc(SCCCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 10217984 DXGGTAHKXPKLID-UHFFFAOYSA-N 417.534 5.750 0 40 HKAB Cc1ccc2oc(C(=O)Nc3nonc3-c3ccc(OCC(C)C)cc3)c(C)c2c1 11915522 GIUPAEAGMPVQSR-UHFFFAOYSA-N 405.454 5.387 0 40 HKAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1cc(Cl)ccc1Br 12540776 YBNAGAAIQBVRJG-GOSISDBHSA-N 401.691 5.017 0 40 HKAB O=C(CSc1ccc2ccccc2c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12578539 DJFPXJVMHKYEQB-NRFANRHFSA-N 405.519 5.067 0 40 HKAB Cc1cc(S[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc2ccccc12 12654421 SBQBTUCBWKLRKU-GFCCVEGCSA-N 424.875 6.335 0 40 HKAB O=C(NCc1ccccc1)c1nnc(CSc2c(Cl)cccc2Cl)s1 12862342 VGRGTYILSOJGAO-UHFFFAOYSA-N 410.351 5.067 0 40 HKAB Cc1ccc2nc(C)c(C(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)cc2c1 12918116 CYFSSRGLWFUFCF-QGZVFWFLSA-N 401.535 5.481 0 40 HKAB COc1ccc(C2=NNC(c3cccs3)=Nc3ccc(OC(F)(F)F)cc32)cc1 13503424 ISNMWACCIYZKNE-UHFFFAOYSA-N 417.412 5.089 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c(C)c1NS(=O)(=O)c1ccc(C(C)C)cc1 14223361 OROAZEHHMISMHV-UHFFFAOYSA-N 417.962 5.126 0 40 HKAB CCC(CC)C(=O)Nc1ccc2nc(SCCOc3cccc(C)c3)sc2c1 15832814 VJXFMIVDZMASKH-UHFFFAOYSA-N 414.596 6.151 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCCCC2)o1 15860412 LHYFFNGGYOROQU-SFHVURJKSA-N 400.906 5.253 0 40 HKAB O=C(Oc1cc(-c2cccc(C(F)(F)F)c2)c2oc(=O)sc2c1)c1ccccc1 15906663 CCKVMQKYPWCLMH-UHFFFAOYSA-N 416.376 5.760 0 40 HKAB N[C@H](Cc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 16920115 NDLKVNXPSRMINB-MRVPVSSYSA-N 413.515 5.429 0 40 HKAB CCCCCC(=O)NC(=S)Nc1ccc(O)c(-c2nc3cc(C)cc(C)c3o2)c1 17088953 IUVXOQDSZPTLNV-UHFFFAOYSA-N 411.527 5.211 0 40 HKAB Cc1cccc(-c2cc(-c3cccc(C)c3)n(-c3nc(-c4ccccc4)c(C)s3)n2)c1 17092785 KHBJFOKRKCCUAO-UHFFFAOYSA-N 421.569 7.255 0 40 HKAB CC[C@@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccc(Br)cc1 17825697 ONMJZLWYPGAQKQ-OAHLLOKOSA-N 416.344 5.157 0 40 HKAB Cc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](c2ccco2)C3)cc1Cl 19817297 POLNCHCJWQGRHG-INIZCTEOSA-N 417.896 6.083 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2cccc3ccccc23)cc1OCC 22530329 UTFLGBYZIYAUGK-XMSQKQJNSA-N 421.537 5.672 0 40 HKAB CCCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCCCC1 28293408 CMKQAMKKFCKWOA-XMMPIXPASA-N 422.613 5.730 0 40 HKAB Cc1ccccc1O[P@](=O)(/C=C1\N(C)c2ccccc2C1(C)C)c1ccccc1 32694147 POPVRWWOYJNGOC-IUDBDROBSA-N 403.462 6.246 0 40 HKAB O=C(c1ccc(Br)s1)N1CCc2sccc2[C@H]1c1cccs1 32781484 FGSQSDIVNIXWLN-HNNXBMFYSA-N 410.383 5.422 0 40 HKAB Cc1cccc(OCc2nnc(SCc3c(C)nn(-c4ccccc4)c3C)o2)c1 95961576 ALVAOHKKFQMBGN-UHFFFAOYSA-N 406.511 5.052 0 40 HKAB Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NC2CCC2)c2ccccc2O3)s1 96053390 JMEQMJPCZBKLTJ-LJQANCHMSA-N 424.610 5.016 0 40 HKAB COc1cccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(C)cc4)CC(O)=C32)c1 102634038 ZUKDKYNJLZUXDF-HRFSGMKKSA-N 410.517 6.633 0 40 HKAB COc1ccc(OCCOC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 102978953 KZZVLGJSRNSPAN-CUFNRJLSSA-N 420.549 5.464 0 40 HKAB Cc1ccc(COc2ccc(Cl)cc2CNc2ccc(Cl)c(Cl)c2)cc1 106983065 DQIYLBJJJIRKDQ-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB COc1ccc(NCc2cc(Br)ccc2OCc2ccccc2F)cc1 107027482 XNIGRAXVBPXFFY-UHFFFAOYSA-N 416.290 5.788 0 40 HKAB C[C@@H](C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1ccccc1)C(=O)O 116383040 RCOKTPHMJJQWAQ-NSHDSACASA-N 419.321 5.476 0 40 HKAB CC(C)CCC[C@H](C(=O)O)C1=CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@@H]2C1 118914803 LDPPQIQFKNQQLH-WTLOQJHSSA-N 416.646 6.453 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)N1CCS[C@@H](c2ccccc2)CC1 211145285 PFIKLKDZEYBPQV-HSZRJFAPSA-N 402.563 5.666 0 40 HKAB COC(=O)c1cn(C(=O)CSCc2c(Cl)cccc2Cl)c2ccccc12 222572172 LHZAVKABWLBUPC-UHFFFAOYSA-N 408.306 5.308 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c2ccccc2O1 223116982 JYZQIPSFXPXTNJ-NFBKMPQASA-N 424.560 5.237 0 40 HKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(CSc2ccccc2)cc1 223496966 VLMGOFCCTCPBSI-LJQANCHMSA-N 417.574 6.264 0 40 HKAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1cccc(Cl)c1 224148952 XDROMKVCTURNDT-UHFFFAOYSA-N 424.884 5.138 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccc(Cl)c(C)c1 224203637 SPMQUIGEOXVVPF-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB Cc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)cc1 224692968 DEUBLDZICAUKNN-QFIPXVFZSA-N 420.597 5.102 0 40 HKAB CCO[C@@]1(C(=O)Nc2ccc(OCCC(C)(C)OC)c(Cl)c2)CCC[C@H](C)C1 225718981 XIILMYQAISAILG-AOMKIAJQSA-N 411.970 5.458 0 40 HKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225734819 WBKAZQBLMDNYLQ-DNRQZRRGSA-N 418.622 5.213 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c2cccnc12 225861988 LPJZTRODPIIPEP-UHFFFAOYSA-N 406.501 6.003 0 40 HKAB C[C@@H]1O[C@@H]2c3cc(CCC(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccccc1Cl 257276522 NUCHZPQYQBCPGL-FWNSJRBFSA-N 414.929 5.778 0 40 HKAB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccccc1Cl 409205229 AOPMJIHLMPVGJO-BZZOAKBMSA-N 404.922 5.815 0 40 HKAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)NC(c1ccccc1)c1ccccc1 585148127 LNVRTLUQIYCIEZ-QHCPKHFHSA-N 412.489 5.069 0 40 HKAB CC(C)=CCC[C@@]1(C)Oc2c(-c3cccc(C(=O)O)c3)cccc2[C@@H]2O[C@H](C)CC[C@H]21 585265836 RMDWNJBMQSHBIW-UBJKNDRWSA-N 420.549 6.806 0 40 HKAB Cc1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c(C)c1 646553 UPSWZNMPOVJZIZ-UHFFFAOYSA-N 407.417 5.103 0 40 HKAB Cc1ccc(NC(=O)C[C@@]2(C)Nc3ccccc3C(=O)N2c2ccccc2C)c(C)c1 717055 JWRRTADPEFNNOA-SANMLTNESA-N 413.521 5.429 0 40 HKAB Cc1nc2oc3c(-c4ccc(Br)cc4)ncnc3c2c2c1COC(C)(C)C2 755370 KCTRFCUGWCEFHP-UHFFFAOYSA-N 424.298 5.360 0 40 HKAB CC(C)c1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 902119 MHWFHBGQDMQQGM-UHFFFAOYSA-N 421.444 5.610 0 40 HKAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(F)cc2)cc1 1380181 DMSMYXRBZUNEDM-HSZRJFAPSA-N 420.484 5.174 0 40 HKAB O=C(NC(=S)Nc1ccc(Cl)cc1Cl)C(c1ccccc1)c1ccccc1 2052186 AWUYEVKPOLPVRU-UHFFFAOYSA-N 415.345 5.639 0 40 HKAB CCc1c(C)sc(NC(=O)c2ccccc2Br)c1C(=O)OC(C)C 2085556 AWHQJQXSFBEWFW-UHFFFAOYSA-N 410.333 5.199 0 40 HKAB CCCCCCc1c(C)c2cc3c(-c4cccc(OC)c4)coc3c(C)c2oc1=O 2091491 MPSBDKSQJVZBBU-UHFFFAOYSA-N 404.506 6.954 0 40 HKAB biogenic C[C@@H]1CCc2sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c3c2C1 2093145 AXTXIOBOPXWFCA-MRXNPFEDSA-N 418.587 5.864 0 40 HKAB CCCCCCn1c(N)c(C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3nc21 2263205 WSELTMNKCKSGCV-UHFFFAOYSA-N 421.932 5.653 0 40 HKAB Cc1ccc(C(=O)C[C@H](Sc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1C 2572983 CWWSMYWJZMRANM-QHCPKHFHSA-N 415.385 7.717 0 40 HKAB CN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)c1cccc(C(F)(F)F)c1 2580976 WYDUDCFIXKXWER-HXUWFJFHSA-N 406.448 5.111 0 40 HKAB Cc1ccccc1NC(=O)C(=O)c1cn(Cc2ccccc2Cl)c2ccccc12 3623572 IENPJQBACDGQQP-UHFFFAOYSA-N 402.881 5.473 0 40 HKAB O=NN(CC(c1ccccc1)c1ccccc1)CC(c1ccccc1)c1ccccc1 3846222 ZIJNAHDIBMEJTE-UHFFFAOYSA-N 406.529 6.634 0 40 HKAB biogenic Cc1ccc(-n2nc3c(c2NC(=O)c2cc(Cl)ccc2Cl)CSC3)cc1 4176098 UHDZWIVWYZYLHT-UHFFFAOYSA-N 404.322 5.487 0 40 HKAB CCCCCOc1ccc(C(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1 4194667 OQDVLTCTXIONBK-UHFFFAOYSA-N 411.552 6.036 0 40 HKAB Cc1cccc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c(C)cccc23)c1 4349618 GCKGALUUXYPXDE-UHFFFAOYSA-N 417.509 5.784 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CC[C@H](CC)C2 4558287 WKEUCDJKCPADAS-ZDUSSCGKSA-N 421.946 5.111 0 40 HKAB CC(C)OP(=O)(OCC[C@H](C)OP(=O)(OC(C)C)OC(C)C)OC(C)C 4705702 BRVUDVQMGWHERY-INIZCTEOSA-N 418.404 5.714 0 40 HKAB CCOc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3cccnc3)C[C@H]21 4715646 CZRHEJYNSYDFIT-OFNKIYASSA-N 405.885 5.376 0 40 HKAB CCCCc1nc2cc(NC(=O)C(C)(C)C)c(C)nc2n1Cc1ccccc1Cl 4850388 CGATVMBRKYPQGY-UHFFFAOYSA-N 412.965 5.769 0 40 HKAB O=C(CSc1nccc(-c2ccc(Br)cc2)n1)c1ccccc1F 4967972 UFZOFSCOFDSEAK-UHFFFAOYSA-N 403.276 5.020 0 40 HKAB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(Br)cc1 5165846 GONVWAOKSANLRP-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB Cc1ccccc1-c1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@H]3c1ccccc1 5177953 STXVPBPGIDVYPH-OAQYLSRUSA-N 406.445 5.091 0 40 HKAB Cc1cccc(NC(=O)NC[C@@H]2C[C@H](NC(=O)Nc3cccc(C)c3C)C2(C)C)c1C 6217534 IOHOOSISEDKQAW-UGKGYDQZSA-N 422.573 5.278 0 40 HKAB CC(C)n1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c2ccccc21 6348022 YRILVDAROOMEKV-SRZZPIQSSA-N 401.491 5.330 0 40 HKAB O=C(CSCc1ccc(Cl)s1)Nc1ccc(OCc2ccccc2)cc1 6850433 YEOMGECHEDTXBE-UHFFFAOYSA-N 403.956 5.852 0 40 HKAB Cc1cccc(Nc2nnc(SCc3cc(F)cc4c3OCOC4)s2)c1C 8487165 OCJOMDJVTFQCJM-UHFFFAOYSA-N 403.504 5.196 0 40 HKAB Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccc(F)cc2)C1 8624227 JZQVKLAYEZBOJV-ZJSXRUAMSA-N 417.572 6.128 0 40 HKAB biogenic,in-vitro Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2F)c1 9193199 BUQGRSZMNKRTOT-FQEVSTJZSA-N 420.827 5.039 0 40 HKAB O=C(Cc1cccc2ccccc12)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 9343893 XNQRAUXLTWODLQ-UHFFFAOYSA-N 420.468 6.020 0 40 HKAB Cc1cc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)ccc1Br 9518704 RNNKIKWRBJBKIL-UHFFFAOYSA-N 414.694 5.283 0 40 HKAB Cc1nc(-c2cccs2)sc1-c1ccc(SCc2ccc(Cl)cc2)nn1 9578111 SKVOJMIRMWUVAZ-UHFFFAOYSA-N 415.996 6.583 0 40 HKAB CC(C)[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1 10857436 ROGSFAAPRZFKFV-IEKAHNGHSA-N 424.972 5.105 0 40 HKAB CC[C@H]1CN=C(N(C(=O)c2ccc(Cl)c(Cl)c2)c2ccc(C(C)=O)cc2)S1 12804265 REIMECBSEGBPOF-INIZCTEOSA-N 421.349 5.724 0 40 HKAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 12885338 LLOXGYFEVLBXFD-UHFFFAOYSA-N 421.255 5.103 0 40 HKAB Cc1cccc2cc(CN(C(=O)c3ccccc3Cl)c3ccccc3)c(=O)[nH]c12 13564538 WEERLACQVZKYKD-UHFFFAOYSA-N 402.881 5.337 0 40 HKAB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)C2CCCCC2)c(C)c1 13712865 GRGOEJMOZXRETK-UHFFFAOYSA-N 402.538 5.567 0 40 HKAB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)s2)cc1 16046129 PSODWQFXHRFFAD-KLZNWCGWSA-N 404.605 5.012 0 40 HKAB CCC(=O)N1N=C(c2ccc(C3CCCCC3)cc2)Sc2c1nc(C)n2C(=O)CC 16777672 TYIHFOUMQPWJDC-UHFFFAOYSA-N 424.570 5.500 0 40 HKAB O=C(Nc1ccc(NC(=O)c2cccnc2Cl)cc1)c1ccc(Cl)cc1Cl 17092427 DIIKEVFBKOVPEE-UHFFFAOYSA-N 420.683 5.546 0 40 HKAB CCOCc1ccc(C(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)cc1 19691415 WSFGKGNNKZHRHU-UHFFFAOYSA-N 414.549 5.613 0 40 HKAB Cc1cc(Cc2ccccc2)cc(C2CCN(C(=O)c3cccc4ncccc34)CC2)n1 19691670 NDKVLNBRPJLFDP-UHFFFAOYSA-N 421.544 5.549 0 40 HKAB FCCCOc1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 20365649 IQIYVDXBAHBKHO-UHFFFAOYSA-N 418.556 5.332 0 40 HKAB Cc1c(C(=O)Nc2ccccc2Cl)nnc2c(-c3ccccc3)c(C(C)C)nn12 20797895 DNWPVGMSPUWFMF-UHFFFAOYSA-N 405.889 5.129 0 40 HKAB COc1ccccc1CNc1ncccc1C(=O)Nc1ccc(Cl)c(Cl)c1 22072587 NXUUBQURIRHXHP-UHFFFAOYSA-N 402.281 5.261 0 40 HKAB O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S)c1ccc(Cl)cc1 27526910 ZLDUPNFUESJIJJ-UHFFFAOYSA-N 405.910 5.607 0 40 HKAB CSc1ccccc1C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 30754523 YXYBZQCSONDBGV-UHFFFAOYSA-N 418.562 6.211 0 40 HKAB Cc1ccc(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)cc1Cl 32117954 KYPGSGQMEJFGEH-UHFFFAOYSA-N 424.978 6.803 0 40 HKAB CC(C)N(C(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)C(C)C 33636836 PBNKREGCQAYWMQ-UHFFFAOYSA-N 404.470 5.801 0 40 HKAB CSc1ccc(/C=C(/c2ccc3ccccc3n2)c2nc3ccccc3[nH]c2=O)cc1 34702049 UKYZNUOQAMEAID-SILNSSARSA-N 421.525 5.782 0 40 HKAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](c1ccccc1)c1cccs1 39978542 CYPWCURUHWRTHI-OAQYLSRUSA-N 421.953 5.474 0 40 HKAB CCCCN(C(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1)c1ccccc1 40129303 BLGKLVJGNPWJGA-UHFFFAOYSA-N 407.535 5.107 0 40 HKAB O=C(c1cccc(C(F)(F)F)c1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 40135087 FYKNATJIFGANIG-UHFFFAOYSA-N 408.807 5.520 0 40 HKAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(OC(F)(F)F)c1 49005595 IAMCOHOIDSVPJV-UHFFFAOYSA-N 418.419 5.062 0 40 HKAB CC[C@H]1c2ccsc2CCN1C(=O)c1sc(NC(=O)c2ccco2)cc1C 58481342 AUTAINJLICUPNP-AWEZNQCLSA-N 400.525 5.113 0 40 HKAB CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 64858514 ISBSSBGEYIBVTO-TZHNZPLHSA-N 418.662 5.474 0 40 HKAB CCc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1 67289853 XRCAFOJCMNBPKA-UHFFFAOYSA-N 416.550 5.306 0 40 HKAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc(Cl)nc2ccccc12 95945702 CEPPBTLCWVCKRA-UHFFFAOYSA-N 421.850 5.368 0 40 HKAB COc1ccc([C@@H]2Sc3ccccc3N=C3c4cc(C)ccc4OC[C@@H]32)cc1OC 96562532 ZZMVYMZKZAFILE-BVZFJXPGSA-N 417.530 5.989 0 40 HKAB C[C@@H](NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)[C@@H]1C[C@@H]2CC[C@@H]1C2 101988759 KGHGLAFUBMLMDN-NNLJWKLDSA-N 405.478 6.706 0 40 HKAB Cc1ccsc1[C@@H]1C2=C(O)CCCC2=Nc2nc(SCc3ccccc3)nn21 102659781 ZMQVPWQDQXYQHZ-SFHVURJKSA-N 408.552 5.612 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccc(F)cc1 106971807 KJDDGZOIFFOFNL-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB C[C@@H]1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118913234 WQLVFSAGQJTQCK-XPMUQOCRSA-N 414.630 5.714 0 40 HKAB in-vitro C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CC(=O)C(F)(F)F 118925355 YSCAUZWVQYQONN-AQBOUSHGSA-N 412.492 5.017 0 40 HKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)C5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5 118940788 KSCYGVKBSKASRS-AOSGAWINSA-N 402.575 5.260 0 40 HKAB COc1cccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c1OC 214770136 QWPCKQKDHWHIPC-CXUHLZMHSA-N 424.305 5.247 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCOc1ccc2ccccc2c1 223638766 FCYUJCBFEUDYQV-UHFFFAOYSA-N 420.361 5.575 0 40 HKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSc1ccccc1 225004753 GQWKXHNXPXFORM-QHCPKHFHSA-N 424.610 5.035 0 40 HKAB Cc1cc(O[C@H](Cc2cc(Cl)ccc2Oc2ccccc2)C(=O)O)ccc1Cl 225133862 MIOCNLJKBQHLGY-OAQYLSRUSA-N 417.288 6.169 0 40 HKAB Cc1cccc(CSCCNC(=S)Nc2ccc(OC3CCCC3)cc2)c1 225339001 SKNKOCZDCYZWRP-UHFFFAOYSA-N 400.613 5.536 0 40 HKAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1Cl 225527850 UCNJXGYTPOUYSY-HNNXBMFYSA-N 422.352 5.858 0 40 HKAB O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccc(F)cc2)CCCCC1 225547796 MYHCGMYWNCVRBU-UHFFFAOYSA-N 410.533 5.141 0 40 HKAB Cc1ccc(-c2nnsc2C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 225776268 HDYBBKAUNXOHKN-UHFFFAOYSA-N 421.909 6.212 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)cc1C(F)(F)F 225953678 ZXTYOCDLCUNUEU-UHFFFAOYSA-N 415.452 5.145 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(F)cc3)n2)cc1C 408696175 XGNXTMAKOIEKKO-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 408709724 WIKWXEJUAGXNNB-UHFFFAOYSA-N 404.860 5.018 0 40 HKAB CCN1C(=O)S/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)C1=O 409355554 DOGLPIOGOXNWAT-LICLKQGHSA-N 408.306 5.629 0 40 HKAB O=C(O)COc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 675082160 GOFIMUDMXZWRPY-UHFFFAOYSA-N 406.481 6.157 0 40 HKAB CC(C)c1nc2sc3c(c2c2nnc(SCc4cccnc4)n12)CC[C@H](C)C3 1376556 UKNJHPXVBQLQQA-ZDUSSCGKSA-N 409.584 5.275 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)c(C)c1 1423369 UPCUHSDARCVHFX-UHFFFAOYSA-N 405.523 5.036 0 40 HKAB CCCCCSc1nnc2n(C)c(=O)c3c4c(sc3n12)C[C@@H](C(C)(C)C)CC4 1764063 YTUZUWRJCYAXSQ-ZDUSSCGKSA-N 418.632 5.076 0 40 HKAB CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc(OC(F)(F)Cl)cc1 2190419 UUSPXZAVUFAEOT-UHFFFAOYSA-N 422.815 5.332 0 40 HKAB Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3cccc(Cl)c3)cc2O)n1 2338343 FZWDYPREYBVEBF-UHFFFAOYSA-N 403.869 5.331 0 40 HKAB biogenic Cc1onc(-c2ccccc2Cl)c1C(=O)NCCOc1cccc2ccccc12 2553836 MDHPJASAJCQYFM-UHFFFAOYSA-N 406.869 5.265 0 40 HKAB Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)c1cccc(C(F)(F)F)c1 2972341 UTVZOVUZLKXBHT-UHFFFAOYSA-N 413.424 5.938 0 40 HKAB Cc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)c(C)c1 3012961 GRQRBXXWDDCXSY-WBVHZDCISA-N 404.392 5.006 0 40 HKAB Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)cc1 3219277 GLELGQFHKRFIME-UHFFFAOYSA-N 401.506 5.755 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc2c(s1)CCCCC2)c1ccccc1 3372389 BKUTZCWQXVMPIT-QGZVFWFLSA-N 418.562 5.760 0 40 HKAB CCCCCC1CCC(c2nnc(SCC(=O)c3sccc3Cl)o2)CC1 4036566 RMMODIMAUSCXFW-UHFFFAOYSA-N 413.008 6.614 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 4523649 YLKOCKVHJINQCO-SZNDQCEHSA-N 424.541 6.152 0 40 HKAB CC(=O)O[C@@H]1C[C@H](c2ccccc2)N(C(C)=O)[C@@H](c2ccccc2)[C@H]1c1ccccc1 4577537 MJHOCQLFVZWVFV-XDZXDJIYSA-N 413.517 5.437 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(Cl)cc2)cc1C 4602294 KXMAHJGGMXLSJH-MOSHPQCFSA-N 410.926 5.428 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1 5204143 RGZVZLOTMSRZNZ-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccccc1COc1ccc(-c2nc(N)ncc2-c2ccc(Cl)cc2)c(O)c1 5451894 VNMAVQOVMHQEAC-UHFFFAOYSA-N 417.896 5.639 0 40 HKAB biogenic CC(=O)O[C@H]1CC[C@@H](OC(C)=O)C[C@H]1C[C@@]1(C)[C@H](C)CC[C@]2(C)C(C)=CCC[C@@H]21 5515872 IZEANLPYPIOHKC-XZNDZAFVSA-N 404.591 5.839 0 40 HKAB Cc1ccc(OCc2nnc(SCc3ccccc3Cl)n2-c2ccccc2)cc1 6245573 XYARUUHZJMDGLM-UHFFFAOYSA-N 421.953 6.100 0 40 HKAB O=C(COc1cccc2ccccc12)Nc1nc2c(Cl)c(Cl)ccc2s1 6496675 VYTXESBEAHCOET-UHFFFAOYSA-N 403.290 5.774 0 40 HKAB Cc1ccc(-n2c(SCc3nnsc3Cl)nnc2-c2ccccc2)cc1C 6590148 LSPYUSVUBKFEQN-UHFFFAOYSA-N 413.959 5.348 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2C)cc1Br 6629920 MMRBVHCAQGJCAH-UHFFFAOYSA-N 405.336 5.255 0 40 HKAB COc1cc(NC(=O)c2ccccc2SCc2ccccc2)c(OC)cc1Cl 7684744 XVJXWQKBBACXKY-UHFFFAOYSA-N 413.926 5.902 0 40 HKAB Cc1cccc(-c2nc(CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cs2)c1 8131384 KCDFSDHLWLGKSU-UHFFFAOYSA-N 406.507 5.341 0 40 HKAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 8273382 QSZKOVYAMLCWHI-YRNVUSSQSA-N 414.336 5.586 0 40 HKAB CC(C)OC(=O)c1ccc2nc(NC(=O)COc3ccc(C(C)C)cc3)sc2c1 8903736 KRRDZQLLIAZAHL-UHFFFAOYSA-N 412.511 5.002 0 40 HKAB COc1cccc([C@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2c2ccc(F)cc2)c1 9357669 HXQRDCMCEMMBAS-DEOSSOPVSA-N 413.452 5.283 0 40 HKAB C[C@@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc(C(C)(C)C)cc1 10111772 FCPMGAXMIFKHAA-CBTVAOKPSA-N 417.980 7.056 0 40 HKAB CC(=O)c1ccc(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1 12787293 NIBQILDZTOGJJT-UHFFFAOYSA-N 401.491 5.082 0 40 HKAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCc2cc3ccccc3nc2Cl)o1 12979048 AIZMLOLVGFNZLO-GFCCVEGCSA-N 415.877 5.843 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 13036403 FKFCBITVXQBREZ-FDDCHVKYSA-N 420.490 5.118 0 40 HKAB Cc1ccc(Sc2ccc(NC(=O)CN[C@H](C)c3ccc(Cl)cc3)cc2)cc1C 13040186 BEOIHFQIHLMDHT-GOSISDBHSA-N 424.997 6.397 0 40 HKAB CC(=O)c1ccc(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)s1 14198212 YLHRITZINLRKPG-QGZVFWFLSA-N 422.937 5.647 0 40 HKAB O=C(c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)N1CCC[C@H](C(F)(F)F)C1 14254848 RBMZDPNNEDBEIN-ZDUSSCGKSA-N 423.822 5.200 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1 14413066 YPYJAUMEAVHEFZ-YRNVUSSQSA-N 418.707 7.091 0 40 HKAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3ccc(C(C)(C)C)cc3)o2)cc1 14706809 IAVWPJSVIDCKET-UHFFFAOYSA-N 420.509 5.062 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)NCc2ccccc2Cl)c(Br)c1 14832597 FXXPPBZGFDUKFD-UHFFFAOYSA-N 410.739 5.095 0 40 HKAB CCc1ccc(NCN2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)cc1 16161964 IFQSZADZYRSGPJ-GZTJUZNOSA-N 417.328 5.117 0 40 HKAB CCc1ccc(C(=O)Cn2nc(COc3ccc(Cl)cc3Cl)oc2=S)cc1 16769540 XNJGNURZUJNERK-UHFFFAOYSA-N 423.321 5.537 0 40 HKAB Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)n1 17013048 QBPPONPMJQRHQG-UHFFFAOYSA-N 407.562 5.428 0 40 HKAB O=C(CC[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1)c1ccccc1 17353481 RCNHKLMWQAUFDP-HHHXNRCGSA-N 404.509 6.983 0 40 HKAB CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)C3CCCCC3)CC2)n1 19084708 AUSNFVKOHHNALF-UHFFFAOYSA-N 406.574 5.122 0 40 HKAB CCCc1ccc(CN(Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)s1 19525484 WARRWPTZPNFPTQ-GBXCKJPGSA-N 409.599 5.806 0 40 HKAB O=C(NCCSCc1ccccc1F)c1ccc(CN2CCc3ccccc32)cc1 20110378 DMDHYYQMDTVRNP-UHFFFAOYSA-N 420.553 5.052 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1nc3ccccc3s1)CC2 23983785 WYJVZWUORUDPGY-QHCPKHFHSA-N 422.575 5.523 0 40 HKAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(C(F)(F)F)c1 26684992 PHRQHDLPYIXKEX-CYBMUJFWSA-N 422.834 5.824 0 40 HKAB CC(C)c1noc([C@H](C)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)n1 27777756 UDKAFTVIRHJWQE-ZDUSSCGKSA-N 404.308 5.409 0 40 HKAB O=C(Nc1cccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c1)c1ccncc1 28221539 VZWOCPWCZJMURN-UHFFFAOYSA-N 411.248 5.358 0 40 HKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(Cl)cc3)sc2c1 32118693 XGFILINLWJHKDA-UHFFFAOYSA-N 403.960 5.419 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc2)cc1 33717761 JXXPWUSPWRTZHF-UHFFFAOYSA-N 406.334 5.697 0 40 HKAB O=C(NC(=S)Nc1ccccc1S)c1sc2cc(Cl)ccc2c1Cl 35168295 MITXGMQCGZEDNO-UHFFFAOYSA-N 413.376 5.624 0 40 HKAB CC(=O)OCC(C)(C)[C@H](OC(C)=O)C(C)(C)[C@H]1Nc2ccccc2-c2ccccc21 38337891 JEBKMKIAQLPXBR-GOTSBHOMSA-N 409.526 5.367 0 40 HKAB C[C@@]1(N2CCCCC2)C(=O)c2cc(Br)ccc2O[C@H]1c1ccccc1 55125041 SOUITRDHKQNZDX-LEWJYISDSA-N 400.316 5.010 0 40 HKAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)cc1Cl 67297495 YBJHXUMFGFJLKL-RWEWTDSWSA-N 404.853 5.580 0 40 HKAB Cc1cccc([C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1 71787081 RMCHDBUEIWMOCY-YTTGMZPUSA-N 424.587 8.162 0 40 HKAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 71844293 YXDIBPAOFZLIGQ-FCHUYYIVSA-N 422.956 6.112 0 40 HKAB CC(C)c1cc(Br)c2oc(-c3ccc(N)cc3Br)nc2c1 73639329 YTMKWBMBTMVCHP-UHFFFAOYSA-N 410.109 5.725 0 40 HKAB CN(CC1CCN(c2ccncc2)CC1)C(=O)c1ccc(-c2ccc(F)cc2)cc1F 89340280 IQXZZPYGSBVMNM-UHFFFAOYSA-N 421.491 5.015 0 40 HKAB COc1ccc(F)cc1-c1ccc2nc(C3CCN(CCC(C)(C)C)CC3)nn2c1 96155854 KLKMNNWOSVRTHH-UHFFFAOYSA-N 410.537 5.160 0 40 HKAB CC(C)c1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 98072937 VRSQCMAERXRNRO-UHFFFAOYSA-N 422.266 5.392 0 40 HKAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 219681052 INRCXTOYQFPIOD-CABCVRRESA-N 404.348 5.391 0 40 HKAB Cc1ccc(OCCNC(=O)CSCc2ccc(Cl)cc2Cl)cc1Cl 224182549 SXMSBUIYCGXKSG-UHFFFAOYSA-N 418.773 5.384 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1c1ccccc1 224186196 QKROYZJPWIWTBR-PKTZIBPZSA-N 402.567 5.565 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COCc1ccccc1 224460893 WFXCFUHXGANWDI-UHFFFAOYSA-N 416.304 5.971 0 40 HKAB CSc1cccc(NC(=O)CCc2ncc(-c3cccc(Br)c3)o2)c1 224887624 BCTSHEZZLFFPTH-UHFFFAOYSA-N 417.328 5.397 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1-c1ncc(-c2ccccc2)o1 224893790 YAQXCFNUTSQECU-UHFFFAOYSA-N 409.272 6.568 0 40 HKAB C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224928704 ARKAPTBXAVVGCU-SFHVURJKSA-N 414.480 5.899 0 40 HKAB CC[C@@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(C)c(C)c1 225711133 AKESGQDQYVZUBN-QGZVFWFLSA-N 411.796 6.157 0 40 HKAB Cc1cc(Br)cc(C)c1NC(=O)c1cc(N)ccc1N1CCCC[C@@H]1C 226324369 IBFBMBFNPFHLOU-HNNXBMFYSA-N 416.363 5.279 0 40 HKAB CCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccc(OCC)cc1 408837105 YVXZWVCPZNDEMB-UHFFFAOYSA-N 424.610 6.316 0 40 HKAB Cc1ccccc1NCc1cc(Br)ccc1OCc1ccccc1Cl 409118925 VFHIADAZNLHNPF-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB O=C1C(=Cc2ccc(Br)cc2)N=C(c2cccs2)N1Nc1ccccc1 2049422710 KTBATBNTKBVAGP-UHFFFAOYSA-N 424.323 5.168 0 40 HKAB Cc1cc2nnc(SCC(=O)c3ccc(Cl)c(Cl)c3)n2c2ccccc12 723839 CINGNIZRAFJBJN-UHFFFAOYSA-N 402.306 5.473 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)c1 863298 VHRMUBCZNVPOQJ-UHFFFAOYSA-N 401.491 5.502 0 40 HKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)NC3CCCCC3)cc2c1 880422 KSHWACUUDVITDK-UHFFFAOYSA-N 417.553 5.189 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1oc2ccccc2c1C 1258071 BWIYXBYCAFWTRW-UHFFFAOYSA-N 405.475 5.899 0 40 HKAB CC(C)c1nc(SCC(=O)N(C(C)C)C(C)C)c2c3c(sc2n1)CCCC3 1378848 MHJQOJYIBBEHOC-UHFFFAOYSA-N 405.633 5.431 0 40 HKAB COc1ccc(-c2c(C)oc3cc(OCc4ccccc4)ccc3c2=O)cc1OC 1463836 AJLBUBNANNQPLM-UHFFFAOYSA-N 402.446 5.365 0 40 HKAB biogenic O=C(Nc1cccc2ccccc12)c1cccc(C(=O)Nc2cccc3ccccc23)n1 1512131 OHTFBSAHBZXFJP-UHFFFAOYSA-N 417.468 5.893 0 40 HKAB Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1-c1cc2ccccc2oc1=O 2056890 RRRQIOSVHZKBKZ-UHFFFAOYSA-N 424.283 6.328 0 40 HKAB Cc1ccc2nc(NC(=O)c3cc(-c4ccc(C)s4)nc4ccccc34)sc2c1 2081758 IPFLYYSDKDIEFN-UHFFFAOYSA-N 415.543 6.442 0 40 HKAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1cccc(Cl)c1Cl)CO3 2123057 YEBRPWWEPDBUKN-UHFFFAOYSA-N 424.283 6.123 0 40 HKAB biogenic CC1CCN(Cn2nc(-c3ccc(C(C)(C)C)cc3)n(-c3ccccc3)c2=S)CC1 2188986 PTVGDPVXULAUDJ-UHFFFAOYSA-N 420.626 6.057 0 40 HKAB Cc1ccc(-n2c(SCCOc3ccccc3C)nnc2-c2ccccc2)cc1 3328601 XDZZESAGQQDNBY-UHFFFAOYSA-N 401.535 5.722 0 40 HKAB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N(CC)CC)c2c1C 3391499 QFQBKOHISWHHNV-UHFFFAOYSA-N 415.584 5.315 0 40 HKAB CCCCCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(C)cc1 4106666 VFDHBEHJXOYENL-UHFFFAOYSA-N 419.543 5.904 0 40 HKAB O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(Cl)c(Cl)c3)[C@@H]12 4311544 AJIAWTPEXUHVFS-KNQAVFIVSA-N 410.325 6.774 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1 4614281 CSUZQUIUTGXHFM-JSRPBHDRSA-N 414.615 5.153 0 40 HKAB CCOc1ccc([C@H]2Oc3c(OCC)cccc3[C@@H]3CC(c4cccs4)=NN32)cc1 4715724 KAGQOPCFJSHNBV-GBXCKJPGSA-N 420.534 5.788 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12 4936368 YWPQUIIEVOBPKC-UHFFFAOYSA-N 413.546 5.568 0 40 HKAB O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1 5125649 FTPWGWKCCMRUNN-SLMZUGIISA-N 408.379 5.936 0 40 HKAB COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OC(C)C 5644166 ROPBKMKFGJGTJK-VGOFMYFVSA-N 405.281 5.335 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)cc2COC(=O)c2ccc(C=O)cc2)cc1C 6561106 GYJQDKIKFWLCLV-UHFFFAOYSA-N 410.473 5.326 0 40 HKAB CC(C)c1ccc(Nc2nnc(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)s2)cc1 6784836 PLBZUZVYVVMRTL-HUUCEWRRSA-N 404.605 5.002 0 40 HKAB Cc1ccc(CN[C@@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)cc1 6825882 HQSTXBSMJGTQRO-NRFANRHFSA-N 407.876 5.717 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(NC(=O)c2ccco2)cc1 7910881 PXGBPSKZJXPPKY-UHFFFAOYSA-N 412.445 5.363 0 40 HKAB COc1cccc(NCc2nnc(SCc3ccc(C)cc3)n2C2CCCCC2)c1 7989732 XYAMHTSSLOZKSU-UHFFFAOYSA-N 422.598 6.005 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OCCOc2ccccc2)cc1 8162323 WOJLDZUTFLKRJJ-QGZVFWFLSA-N 411.885 5.204 0 40 HKAB COc1ccc(Br)cc1C(=O)Nc1ccc(C(F)(F)F)cc1Cl 8209126 VZNLKMARPQBRSC-UHFFFAOYSA-N 408.601 5.382 0 40 HKAB CSc1nc(N2CCCC[C@H]2C)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 8657508 TUNXHEIKDCFDFK-CYBMUJFWSA-N 412.628 5.952 0 40 HKAB CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccccc2C)cc1O 8744265 AIKPJYCYZOYVON-UHFFFAOYSA-N 416.477 5.861 0 40 HKAB Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2oc3ccccc3c2C)cs1 8776028 PVHOKYJGFAGVDM-UHFFFAOYSA-N 420.490 5.044 0 40 HKAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3ccc(OC(C)C)cc3)ccc1O2 9134903 VSFLRLINQFXJEG-UHFFFAOYSA-N 402.450 5.393 0 40 HKAB COCc1nn2c3c(cnc2c1-c1ccccc1)C(=O)C[C@H](/C=C/c1ccccc1)C3 9290258 RWPFKSYDTRZKSY-JXOMPUQVSA-N 409.489 5.001 0 40 HKAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(C(C)C)cc3)cs2)cc1 9625304 IYGHLHWVISKKSA-UHFFFAOYSA-N 408.527 5.400 0 40 HKAB CC(C)(C)c1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccccc4F)cc3o2)cc1 9660309 XSDZSWXVXZWXEQ-UHFFFAOYSA-N 415.464 6.149 0 40 HKAB biogenic CCOc1ccc(-c2csc(NC(=O)CCSc3ccc(OC)cc3)n2)cc1 10219569 JUUPMUDNJLZTPF-UHFFFAOYSA-N 414.552 5.338 0 40 HKAB COc1cccc2c1O[C@H](c1ccc(C(C)(C)C)cc1)N1N=C(c3ccccc3)C[C@H]21 12193260 OTIJCAIXZVSNST-ZEQKJWHPSA-N 412.533 6.235 0 40 HKAB CC(C)c1ccccc1NC(=O)CCc1nnc(-c2cccc(C(F)(F)F)c2)o1 12228147 HAWXDAPZQKOVCS-UHFFFAOYSA-N 403.404 5.450 0 40 HKAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCc2coc(-c3cccs3)n2)o1 12932522 JKNXREZNFKCOAR-LLVKDONJSA-N 403.460 5.358 0 40 HKAB CCCOc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 12938264 ZBKXJXBFQJEAPD-XMMPIXPASA-N 406.551 5.123 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cccc(Cl)c1)CC2 13042203 COFRCCGXQMZYSV-HSZRJFAPSA-N 407.897 5.145 0 40 HKAB COc1ccc(-c2coc3c4c(ccc3c2=O)OCN([C@H](C)c2ccccc2)C4)cc1 13689560 BCSLZAVETSLTCB-QGZVFWFLSA-N 413.473 5.382 0 40 HKAB biogenic O=C(c1csc(-c2ccsc2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 14118236 RZBDOLZYPNJUBS-KRWDZBQOSA-N 412.536 5.010 0 40 HKAB CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1 16610402 QPVFBOLIXDKZHY-NSHDSACASA-N 419.959 5.254 0 40 HKAB O=C(Nc1cccc(Cl)c1)N(Cc1cccc(F)c1)c1nnc2n1CCCCC2 16769791 XEXNYYGUPXSSCK-UHFFFAOYSA-N 413.884 5.036 0 40 HKAB Cc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2ccccn2)cc1 16789483 AOEFANYKKGWGJO-UHFFFAOYSA-N 414.578 6.228 0 40 HKAB CC(C)c1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)cc4)ccc3o2)cc1 20411264 UTNBAESLEATKCP-LHHJGKSTSA-N 416.908 6.924 0 40 HKAB Cc1cc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccccc3)C2)ccc1F 21147448 RYWSUEOVXAMDIM-UHFFFAOYSA-N 417.509 6.061 0 40 HKAB Cc1cc(-n2nc(C)cc2C)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 21790447 IWHWLYTVFAOKAB-UHFFFAOYSA-N 405.811 5.179 0 40 HKAB C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C[C@@H](O)C[C@H]1O 21983613 OFHCOWSQAMBJIW-WWWNWEDJSA-N 400.647 6.590 0 40 HKAB CSc1ccc([C@H](C)NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1 22246163 PYOCLDAWHIPNKW-LBPRGKRZSA-N 401.532 5.547 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 22514259 BVVFJTXVCSJBNG-DQEYMECFSA-N 405.538 5.909 0 40 HKAB C[C@H](Oc1ccccc1Cl)C(=O)N(Cc1ccccc1Cl)c1ccccn1 28291121 DQJPOKPJMDMVMB-HNNXBMFYSA-N 401.293 5.389 0 40 HKAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccccc1N1CCc2ccccc21 36755210 ODQWVMSAVGEVGZ-UHFFFAOYSA-N 401.491 5.279 0 40 HKAB CCc1cccc(C)c1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38856949 CLWNXSOSVJIKMD-UHFFFAOYSA-N 405.369 5.715 0 40 HKAB CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(Cl)c(Cl)c1 40149960 QPJMWPKYUULQJF-UHFFFAOYSA-N 403.313 5.480 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 40913208 YLKOHVSRYGPNEL-MRXNPFEDSA-N 403.906 5.320 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 44840951 GYFXFWFVKADNBQ-UWJYYQICSA-N 403.950 5.636 0 40 HKAB Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 44905840 IZGMVUPXYVBPSZ-KRWDZBQOSA-N 419.396 5.700 0 40 HKAB Cc1ccccc1NC(=O)[C@@H](C)Sc1ncc(-c2cccc(Br)c2)o1 45943402 KNMMUTVJTDDGFM-CYBMUJFWSA-N 417.328 5.532 0 40 HKAB CCc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 57486682 LFXLRYOCEMXMJK-UHFFFAOYSA-N 406.873 5.060 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3ccco3)C(=O)C3CCCCC3)cc2c1 57679015 SKBWIFVVLZTUJX-UHFFFAOYSA-N 410.945 6.207 0 40 HKAB CCCCCCSc1nc2ccc(NC(=O)c3ccccc3C(=O)O)cc2s1 59417535 QNRUBIMLWWEIRW-UHFFFAOYSA-N 414.552 5.919 0 40 HKAB O=C(c1cnc2ccc(F)cc2c1N1CC=C(c2ccccc2)CC1)N1CCCCC1 67288133 RNAXIDKAFHDIKG-UHFFFAOYSA-N 415.512 5.294 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1 67289872 DQGZCVXBIJGBPQ-UHFFFAOYSA-N 416.550 5.361 0 40 HKAB CC[C@H](O)C[C@H](O)CC[C@@H]1[C@H]2C(=C[C@H](C)C[C@@H]2OC(=O)C(C)(C)CC)C=C[C@@H]1C 67665397 DUYNPSLBGDLWAQ-KFZNPZRXSA-N 406.607 5.041 0 40 HKAB in-vitro CC1=C[C@@H](CNCc2ccccc2)[C@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 72320971 VSXOCJFQZLURFB-HJOGWXRNSA-N 401.598 6.058 0 40 HKAB biogenic,in-vitro CCOC(=O)c1c(NC(=O)c2c(-c3ccc(Cl)cc3)noc2C)sc(C)c1C 80345491 FVCVTJMOSJDHHD-UHFFFAOYSA-N 418.902 5.411 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(C34C[C@H]5C[C@@H](CC(c6ccccc6)(C5)C3)C4)cc2)cc1 100484379 IJOONULBHPPHJA-MLBYEREBSA-N 421.584 7.037 0 40 HKAB CCCCn1cnc2c(c1=N)[C@H](c1ccc(OC)cc1)c1ccc3ccccc3c1O2 101121747 WNOYCLKGHAVKIU-JOCHJYFZSA-N 411.505 5.610 0 40 HKAB COc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3onc(C)c32)cc1OC 102724328 CYDWBGIXIUETLR-SBUREZEXSA-N 416.477 5.608 0 40 HKAB CC1(C)CC2=Nc3ccccc3N[C@H](c3ccc(OCc4ccccc4)cc3)C2=C(O)C1 102875282 RKIIFBFXWOSZHP-HHHXNRCGSA-N 424.544 7.137 0 40 HKAB CCCC[C@@H]1C=C[C@@H](/C=C\CCCCCCCC(=O)OCC)[C@@H](C(=O)OCC)C1 104042766 NLAFICQBKVFFEV-XSYAEDRMSA-N 406.607 6.398 0 40 HKAB CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(Br)c1OC 106971113 UKJZJZCMHOGENA-UHFFFAOYSA-N 405.119 5.775 0 40 HKAB CCOc1cc(C)c([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OCC 222649237 KOJLVYBJRGFKBO-XGRCMKMKSA-N 411.571 5.167 0 40 HKAB CC[C@H](NC(=O)C1CCN(Cc2ccccc2F)CC1)c1ccc2c(c1)CCCC2 223104765 NBOJLFXWHWJJJL-VWLOTQADSA-N 408.561 5.184 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)c1ccccc1 223168212 DDZSZXMHBPLURW-VWLOTQADSA-N 413.517 5.593 0 40 HKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 224332685 CLDNSVLHYGDIRK-RPWUZVMVSA-N 418.610 5.820 0 40 HKAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1CSc1ccc(Cl)cc1 224392670 GNBRQRPPKGTPMQ-UHFFFAOYSA-N 415.917 5.710 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 224823361 JZNPVJNSGSKSQT-NHCUHLMSSA-N 415.961 6.005 0 40 HKAB Fc1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)cc1Cl 225368280 YSYLTTDRBZFDCR-UHFFFAOYSA-N 407.338 5.491 0 40 HKAB CCCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccc(F)cc2)n(CC(C)C)n1 257303971 SJNRRXAPYDNEIX-UHFFFAOYSA-N 410.489 5.428 0 40 HKAB CCOC(=O)c1c(NC(=O)/C(=C/c2ccco2)c2ccccc2)sc2c1CCC2 408578894 WLQHYGFPYGPRGM-NBVRZTHBSA-N 407.491 5.186 0 40 HKAB CCOc1ccc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)c2ccccc12 408773622 SALPDYPJBUKXKF-DLBLZJNESA-N 404.535 5.401 0 40 HKAB O=C(CCC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1 408836986 XLGOAICARLEZCM-UHFFFAOYSA-N 414.288 6.387 0 40 HKAB C[C@H](SCc1ccccc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 408924966 QXKCPSKYLSIXOA-AWEZNQCLSA-N 414.423 5.665 0 40 HKAB CCc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(C)cc2)cc1 409110966 HPNHCESHIBTKII-UHFFFAOYSA-N 400.349 7.055 0 40 HKAB Cc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)c(C)c1 409122122 ZJGOJMHIASPZMT-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB CCc1ccccc1NCc1cc(Br)ccc1OCc1cccc(F)c1 409136877 VIQBNBPKYAOZAU-UHFFFAOYSA-N 414.318 6.342 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 409375264 IACLLRCTDOVLEB-OAQYLSRUSA-N 424.497 5.173 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H](C=Cc1ccccc1)C(=O)c1ccccc1 2049241054 SQYUSQQNCYCPRO-ZBCONREDSA-N 404.550 6.203 0 40 HKAB CCOc1ccccc1NC(=O)c1sc2nc(-c3ccc(F)cc3)ccc2c1N 661606 LLZMMKFVMDKXQH-UHFFFAOYSA-N 407.470 5.336 0 40 HKAB C[C@]12C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 727017 MDZKOQLKYCEYQD-CNZZAIDXSA-N 415.492 5.627 0 40 HKAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccccc1F 901602 CGESPGQTZCJCJF-UHFFFAOYSA-N 413.421 5.094 0 40 HKAB Cc1sc(NC(=O)C2CCC2)nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1 1366559 BJSZQYQBSYUSLX-UHFFFAOYSA-N 423.582 5.327 0 40 HKAB O=C(Nc1ccccc1C(=O)Nc1ccccc1Cl)Nc1cccc2ccccc12 1426251 NIJLGZHPMHNNSS-UHFFFAOYSA-N 415.880 6.390 0 40 HKAB O=S(=O)(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1 1713507 LJCUQLCGWDFTPO-UHFFFAOYSA-N 406.501 5.721 0 40 HKAB CCN(CC)c1ccc(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c(C)c1 2069502 QZNVCMQJIZCFTR-FQEVSTJZSA-N 414.549 5.814 0 40 HKAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)Nc1ccccc1Cl 2092967 HJKLQICVPYFYHQ-UHFFFAOYSA-N 405.837 5.131 0 40 HKAB biogenic Clc1ccc(-n2ncc3c(SCc4c(Cl)cccc4Cl)ncnc32)cc1 2452570 JTRCJGDWHYKPAF-UHFFFAOYSA-N 421.740 6.068 0 40 HKAB CSc1nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2s1 2662659 NNLPRDFLHLZBIJ-UHFFFAOYSA-N 405.353 5.126 0 40 HKAB aggregator Cc1ccccc1Oc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccccc2)cc1 2890644 GFOMCSSRMJZLIB-UHFFFAOYSA-N 421.440 5.545 0 40 HKAB COc1ccccc1C(=O)Nc1nc(-c2ccc(C)cc2)c(-c2ccccc2)s1 3107673 VNBCPEGZYWDQQB-UHFFFAOYSA-N 400.503 6.046 0 40 HKAB Cc1ccc([C@H](NC(=O)N[C@H](C)c2ccccc2)C(Cl)(Cl)Cl)cc1F 3174708 LKGCVUIDLOLTOM-WBMJQRKESA-N 403.712 5.606 0 40 HKAB Cc1cc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2c2ccccc12 3274265 APEQOACFGXHOIO-UHFFFAOYSA-N 417.321 5.229 0 40 HKAB O=C(c1oc2ccccc2c1CSc1ccc(Cl)cc1)N1CCc2ccccc21 3352552 IQFBGBVHSXZVAV-UHFFFAOYSA-N 419.933 6.581 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OC[C@H]3CC3(Cl)Cl)cc12 3353922 DEYOCFDUNPHQRP-SNVBAGLBSA-N 415.729 5.399 0 40 HKAB Cc1ccc(OCCNC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 3358225 LTKVMDRUYQLFFN-UHFFFAOYSA-N 404.535 5.183 0 40 HKAB COc1cc(C(=O)N[C@H]2CCCc3ccccc32)ccc1OCc1ccc(Cl)cc1 3358427 DQSMJJSTNIQBHI-QFIPXVFZSA-N 421.924 5.735 0 40 HKAB FC(F)(F)c1cccc(NC(=S)NNc2ncc(C(F)(F)F)cc2Cl)c1 3771031 MAHKWRCEBXQXFS-UHFFFAOYSA-N 414.762 5.086 0 40 HKAB CCCCSc1nnc(CNC(=O)c2cccc3ccccc23)n1-c1ccccc1 4059360 SPCQLYVUMUMZDV-UHFFFAOYSA-N 416.550 5.243 0 40 HKAB COc1cc([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)ccc1O 4179328 OJSROJGEYSULQD-SANMLTNESA-N 409.485 5.834 0 40 HKAB COc1ccccc1-c1nc(-c2ccc(Oc3ccccc3)cc2)c(CC(=O)O)s1 4600134 YQVSXWKODVDZKR-UHFFFAOYSA-N 417.486 5.905 0 40 HKAB COc1cccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c1 4661223 JQCSLCULDAUQGN-UHFFFAOYSA-N 414.486 5.302 0 40 HKAB CS[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 4769391 CSDNFDRMMGNTCT-PXBBAZSNSA-N 416.759 8.759 0 40 HKAB Cc1ccc2occ([C@@H]3Oc4ccccc4[C@@H]4CC(c5ccccc5)=NN43)c(=O)c2c1 4837306 AMHICPPKRKKGNC-NVQXNPDNSA-N 408.457 5.344 0 40 HKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2ccccc2Cl)N1 5072168 VQPAPGIDJWTKDE-NRFANRHFSA-N 400.869 5.139 0 40 HKAB Cc1nc(C[S@](=O)c2ccccc2)cc(NCc2ccc(Cl)cc2Cl)n1 5423420 HFDYDMQIVUAERL-AREMUKBSSA-N 406.338 5.012 0 40 HKAB Cc1nc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c2c(C)c(C)sc2n1 5429108 NNMJQYYGAFHYJW-WCQYABFASA-N 403.548 5.114 0 40 HKAB O=C1CS[C@H](c2ccc(Cl)cc2Cl)c2c(O)nn(C3CCCCC3)c2N1 5447810 ZRRJYNQLHWEORS-MRXNPFEDSA-N 412.342 5.175 0 40 HKAB Cc1ccc(P(=Nc2c(Cl)cccc2Cl)(N2CCCC2)N2CCCC2)o1 5684595 TUCDBLPHMHAVAP-UHFFFAOYSA-N 412.301 6.075 0 40 HKAB O=C(N/C=C(/c1ccccc1)[S@](=O)Cc1ccccc1)Nc1ccccc1Cl 5855763 OXHRPTPKWHJDAN-OTECNADQSA-N 410.926 5.409 0 40 HKAB CCC(=O)Oc1cccc2ccc(/C=C/c3c(C)nn(-c4ccccc4)c3Cl)nc12 5856642 GBXCMZPJZKHJFO-CCEZHUSRSA-N 417.896 5.868 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc(OC(C)C)c1 6049790 KMKLTJRNVKZSIC-UHFFFAOYSA-N 418.518 6.011 0 40 HKAB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccc(Br)cc1 6423006 RLFSKMNFFAPXHN-UHFFFAOYSA-N 404.691 5.577 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)Nc2ccc(Cl)cc2)cc1 6477736 YHIMFDYBXCAUHH-WJDWOHSUSA-N 413.908 6.153 0 40 HKAB CCCN1C(=O)S/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C1=O 6654742 LWYHRPPUKCTBRP-YBEGLDIGSA-N 406.301 5.464 0 40 HKAB O=C(Nc1cc(NC(=O)C2CCCC2)c2c(c1)Oc1ccccc1CC2)C1CCCC1 6668529 PPLAVJDCKHHWAP-UHFFFAOYSA-N 418.537 5.835 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](O)CCC[C@]4(C)[C@@H]3CC[C@@]21C 6693200 LPKKNVGOWXICRV-FYCZTJPTSA-N 402.707 7.859 0 40 HKAB Cc1ccc(Cl)cc1N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 6825008 NGVSXOUTWLDFDD-HXUWFJFHSA-N 410.304 6.553 0 40 HKAB Cc1noc(C)c1CSCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 6879149 YPAHQLXBMGCCTN-UHFFFAOYSA-N 402.903 5.609 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2ccc([C@H](C)CC)cc2)sc2c1CCCC2 7072886 FHJQTTGKMNILAZ-OAHLLOKOSA-N 415.555 5.335 0 40 HKAB CCn1c2ccccc2c2cc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)ccc21 7342904 QIJMPMYVMZENPT-HMAPJEAMSA-N 413.502 5.909 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccnc4Cl)cc3)nc2c1 8196741 WYNANGROCCCBDS-CQSZACIVSA-N 405.885 6.309 0 40 HKAB COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1 8320980 VCKQDINLSOEXAW-UHFFFAOYSA-N 408.457 6.217 0 40 HKAB Cc1c(C(=O)N(Cc2ccc(Cl)cc2)C[C@@H]2CCCO2)oc2ccc(F)cc12 8673495 YOXDKBBHTVWAOF-SFHVURJKSA-N 401.865 5.355 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(C(=O)OC2CCCCC2)cc1 8904067 QLPRIRVIAWFRRD-UHFFFAOYSA-N 403.931 5.560 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C)cc1 9478402 JBCUIWDUPDPGEC-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB CSc1ccc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 9636122 PCAHZGOYLOHOSO-UHFFFAOYSA-N 418.543 6.577 0 40 HKAB CC(C)c1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@@H](c1ccco1)C3 10157002 OCIKLHAHPOAWNF-AWEZNQCLSA-N 406.873 5.074 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(/C=C/c2ccccn2)c1 12108447 NUDHLQPADFEPJH-ZOGNMOHXSA-N 409.489 5.155 0 40 HKAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(COc2ccccc2)cc1 12689436 SEFXUNAAFCUQDG-UHFFFAOYSA-N 400.522 5.138 0 40 HKAB COc1ccc(-c2csc3ncnc(Oc4cccc5c4CCC[C@H]5O)c23)cc1 12779897 KMVHHWCPTJMLQH-LJQANCHMSA-N 404.491 5.529 0 40 HKAB Cc1nc(COc2ccccc2C(=O)Nc2cccc(Br)c2)cs1 13001715 CDFYRERIBYZUKP-UHFFFAOYSA-N 403.301 5.045 0 40 HKAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4C)=NN32)cc1OC 13777559 FQXYBGMRESVFEY-NVQXNPDNSA-N 414.505 5.563 0 40 HKAB Cc1ccc([C@H](CNC(=O)C(c2ccccc2)c2ccccc2)N2CCCCC2)o1 15860204 ZJULDQGVALWFME-QHCPKHFHSA-N 402.538 5.063 0 40 HKAB S=C(NNc1ccnc2cc(Cl)ccc12)Nc1ccc(Oc2ccccc2)cc1 15978072 WEOLDQPAFSXXKU-UHFFFAOYSA-N 420.925 5.994 0 40 HKAB COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 17082326 HTQSJARUBBMYEE-JXMROGBWSA-N 402.277 6.222 0 40 HKAB Cc1ccc(O[C@H](C)c2nnc(SCc3ccc(F)cc3Cl)n2C)c(C)c1 17083289 KEWNEFXYRSLVKE-CQSZACIVSA-N 405.926 5.657 0 40 HKAB CCc1ccc(OCC(=O)N[C@@H](CC(C)C)c2ccccc2)c(Br)c1 20483312 GVWRSJPVRNMQGL-IBGZPJMESA-N 404.348 5.294 0 40 HKAB Cc1cc(NC(=O)C(Cl)(Cl)Cl)cc(-c2nc3ccccc3s2)c1O 20497399 QIQFPCDJTJKSNX-UHFFFAOYSA-N 401.702 5.286 0 40 HKAB COc1ccc(C)cc1-c1nc2ccc(Cl)cc2c(-c2ccccc2)c1CC(=O)O 21224966 NAXAGPIWPKCVTH-UHFFFAOYSA-N 417.892 6.166 0 40 HKAB O=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccc(F)c(Cl)c1 22072632 HJVYEPUOCHCZQO-UHFFFAOYSA-N 420.669 5.633 0 40 HKAB CCNc1ccc([C@](O)(c2nc3ccccc3s2)C(F)(F)F)c2ccccc12 24927193 RTOMWCQJZCAMEH-FQEVSTJZSA-N 402.441 5.680 0 40 HKAB COc1cc(C(C)=O)ccc1OCc1csc(-c2ccc(C(F)(F)F)cc2)n1 25529491 UWZYJPVAUIILSM-UHFFFAOYSA-N 407.413 5.619 0 40 HKAB Cc1c(Cl)cccc1-n1ccnc1SCc1ccc(C(=O)N2CCCC2)cc1 25621611 CRTOAOWFRVFLKV-UHFFFAOYSA-N 411.958 5.362 0 40 HKAB Cc1cc(C)cc(C(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@@H]2c2ccc(F)cc2)c1 28047916 LGRZVMRPDVLEFR-QHCPKHFHSA-N 422.887 5.280 0 40 HKAB O=C(c1cccs1)N(Cc1ccc(OCc2ccccc2)cc1)c1ccccn1 28289160 AAUYCIMAGRMEHR-UHFFFAOYSA-N 400.503 5.569 0 40 HKAB COCSc1nnc(-c2cccc(N(C)C)c2)n1-c1ccc(Cl)c(Cl)c1 32672252 PVHGTTJXTRHQIG-UHFFFAOYSA-N 409.342 5.003 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2ccccc2C)cc1 33724799 RHWDNESAUXEGEO-UHFFFAOYSA-N 403.906 5.491 0 40 HKAB O=C1N/C(=N\c2ccc(Cl)cc2C(F)(F)F)S/C1=C/c1ccccc1Cl 35647377 XLEJAWPKIUYBDG-VGOFMYFVSA-N 417.239 5.904 0 40 HKAB Cc1ccc(C(=O)N2C(=S)C(c3cccc(Cl)c3)=NC23CCCCCC3)cc1C 45933102 CPVKYNYFVWQNSM-UHFFFAOYSA-N 424.997 6.280 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 72338404 FEXMDBFPKNKXOW-FQEVSTJZSA-N 405.523 5.571 0 40 HKAB COc1ccc(CCC(=O)N2CCC[C@@H](c3cccc(-c4cccc(F)c4)n3)C2)cc1 72349348 XQMYNFIMWIOUOR-OAQYLSRUSA-N 418.512 5.235 0 40 HKAB FC(F)(F)c1[nH]c2ncccc2c1CN(CCc1ccccc1)Cc1ccncc1 72393705 OQEHNFLJRZWLFL-UHFFFAOYSA-N 410.443 5.222 0 40 HKAB Cc1oc(-c2cccs2)nc1CC(=O)N1CCC[C@H]1Cc1ccccc1Cl 84053134 HNLBKGMYDFCCOV-INIZCTEOSA-N 400.931 5.141 0 40 HKAB CC(C)c1nccc(C2CCN(C(=O)[C@H](C)Oc3cccc(Cl)c3Cl)CC2)n1 95431189 BIYLEYGQIBMTMH-AWEZNQCLSA-N 422.356 5.080 0 40 HKAB CCn1cc(C(=O)Nc2ccc(COC3CCCC3)cc2)c(=O)c2cc(Cl)ccc21 95993696 BHXCQJMUSMIAOS-UHFFFAOYSA-N 424.928 5.386 0 40 HKAB COCc1ccc([C@H]2CCCN2C(=O)c2sc(-c3ccccc3Cl)nc2C)o1 97147863 LXTUYTRCXVOOLP-QGZVFWFLSA-N 416.930 5.489 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]4CC[C@@H]3C4)c2C(=O)OC)C1 102024663 VCKNNLPQBAONOU-AIANPOQGSA-N 403.588 5.451 0 40 HKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(CNC(=O)[C@@]5(C)CC5(Cl)Cl)(C4)C2)C3)cc1C 103134382 YZMIMWHIZYRODV-OZIOPSNKSA-N 420.424 5.842 0 40 HKAB O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)Nc1cccc(Cl)c1Cl 107637704 RFTUUCXHUGMLAY-UHFFFAOYSA-N 413.260 5.411 0 40 HKAB O=C(NC(=S)Nc1ccc(Cl)cn1)c1sc2cc(Cl)ccc2c1Cl 109031922 QZBJFALELUMOBJ-UHFFFAOYSA-N 416.742 5.383 0 40 HKAB CC(C)(C)C[Sn](Br)(Br)CC(C)(C)C 195765571 ZCUPIMCXYCFQJY-UHFFFAOYSA-L 420.805 5.311 0 40 HKAB O=C1S/C(=C/c2cccc3ccccc23)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214775495 BJWINYQHEYEUBY-YBFXNURJSA-N 414.313 6.383 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1 223012313 VCZJJGCZARXJIQ-QHCPKHFHSA-N 409.913 6.024 0 40 HKAB CN(Cc1ccccc1)C(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223077456 XZBYNTPLGYWZCZ-UHFFFAOYSA-N 418.924 5.205 0 40 HKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 224439656 RSDLPTMCLCPHJA-PKTZIBPZSA-N 420.557 5.705 0 40 HKAB O=S(=O)(Nc1ccc2c3c(cccc13)CC2)c1ccc(Oc2ccccc2)cc1 224481984 VEEPOZXZYOFGHU-UHFFFAOYSA-N 401.487 5.532 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCC2)cc1COc1ccc(Cl)c(C)c1 224540269 LSFBYCPLHTZFKL-UHFFFAOYSA-N 401.934 5.689 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1ccc(C)c(C)c1 224619781 DFLSMXOAYQADNI-UHFFFAOYSA-N 403.522 6.096 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1CSc1ccccc1 224651116 JHDYNNCNIXWZKD-UHFFFAOYSA-N 413.542 6.783 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1C1CCCC1 225025710 SKDUNOPYXNMIDV-FGZHOGPDSA-N 421.591 5.741 0 40 HKAB Fc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cc1Cl 225857060 QWPZBQUPABZXJF-UHFFFAOYSA-N 411.373 6.365 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccccc2Br)cc1N1[C@@H](C)CCC[C@@H]1C 226330047 QSUCHTZQTKEHGA-GJZGRUSLSA-N 416.363 5.359 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(OCCN3CCC[C@H](C)C3)cc2)CCC[C@H](C)C1 260814460 IOWJIHRAIYEEDN-STWLZBDKSA-N 416.606 5.111 0 40 HKAB CCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(CC)c1-c1ccc(F)cc1 408560945 FZPFLQQNSJXJIW-FLFQWRMESA-N 418.921 5.341 0 40 HKAB O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1cc2c(ccc3ccccc32)o1 408619350 LTNJPQVVTLRTRD-UHFFFAOYSA-N 412.489 5.901 0 40 HKAB COc1ccc(Oc2ccc(C(=O)c3ccc(-c4ccc(F)c(Cl)c4)o3)cc2)cc1 408621500 OGLGRAGQKZWNKK-UHFFFAOYSA-N 422.839 6.771 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2ccccc2)cc1 408697774 JHWJLXOOXDXTCS-UHFFFAOYSA-N 420.472 5.348 0 40 HKAB Cc1ccc(C)c(-c2nc(Nc3cccc(Cl)c3Cl)sc2CC(=O)O)c1 408890488 UOSIHSBOBYKXMH-UHFFFAOYSA-N 407.322 6.104 0 40 HKAB Cc1ccc(Cl)cc1NCc1c(OCc2ccc(F)cc2)ccc2ccccc12 409114075 BSWMNVDGLZQQKX-UHFFFAOYSA-N 405.900 7.132 0 40 HKAB Cc1c(Cl)cccc1NCc1cc(Cl)ccc1OCc1cccc(Cl)c1 409114947 FNOCWOMHZZRYSQ-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1Cl 409119679 QJAJBSKJNZRSTB-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1C1CCCC1 409127194 HBGFNNIRMZFIAI-NDENLUEZSA-N 414.958 6.110 0 40 HKAB CCc1s/c(=N\C(=O)c2ccccc2-c2ccccc2)n(C)c1-c1ccc(F)cc1 409195298 OGHPQZHHOQCHJL-RFBIWTDZSA-N 416.521 5.863 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1Sc1ccccc1 409272559 ZYHOMRZVAYVWOD-ACCUITESSA-N 400.330 6.797 0 40 HKAB O=C(O)c1cnc(N2CCC[C@H]2c2ccc(Cl)cc2)nc1CCC1CCCCC1 585266630 JMPVRSWJICEDJD-NRFANRHFSA-N 413.949 5.683 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2ccc(C(C)C)cc2)sc2c1CC[C@@H](C)C2 643681 XVEBARDUWXTGEN-OAHLLOKOSA-N 415.555 5.191 0 40 HKAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1C 1105092 AFJJNTYYRPRCJH-UHFFFAOYSA-N 422.575 5.998 0 40 HKAB Cc1cc2cc(CN(C(=O)Nc3cccc(Cl)c3)C3CCCC3)c(=O)[nH]c2cc1C 1371137 GXQGCYNHBNHDDK-UHFFFAOYSA-N 423.944 5.775 0 40 HKAB Cc1ccc2cc(CN(Cc3cccs3)C(=O)Nc3ccccc3)c(=O)[nH]c2c1C 1378371 LVWJQBWKLNPFBK-UHFFFAOYSA-N 417.534 5.441 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 1402417 IZYOERQRUCTLLZ-UHFFFAOYSA-N 409.272 5.550 0 40 HKAB Cc1ccc(SC2=C(Sc3ccc(C)cc3)C(=O)N(c3ccccc3)C2=O)cc1 1776956 BIDDGOVLFFHXAD-UHFFFAOYSA-N 417.555 5.973 0 40 HKAB COc1ccc(-c2cc(=O)oc3cc(OC/C=C(\C)CCC=C(C)C)ccc23)cc1 2126616 KBJJUPGWLFOWSW-XMHGGMMESA-N 404.506 6.540 0 40 HKAB biogenic Cc1ccccc1OCc1nnc(SCc2c(C)cc(C(C)(C)C)cc2C)n1C 2178058 MXSFUMPTLKPDQN-UHFFFAOYSA-N 409.599 5.909 0 40 HKAB CC[C@@H](COC(=O)Nc1ccc(C)cc1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1 2197001 VYWITLFLFCGMMF-AZUAARDMSA-N 418.946 5.250 0 40 HKAB CCCCCCSc1nnc2c3c4c(sc3nc(CC)n12)COC(C)(C)C4 2224235 RFXKOFWIYZYPLW-UHFFFAOYSA-N 404.605 5.425 0 40 HKAB Cc1cc(OCC(=O)c2ccc(Cl)cc2)c2c(-c3ccccc3)cc(=O)oc2c1 2324539 MSWUDQVCXPTEKP-UHFFFAOYSA-N 404.849 5.684 0 40 HKAB biogenic CCCCCCNC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 2369237 DSRZGIHIZKPQJQ-UHFFFAOYSA-N 421.932 5.119 0 40 HKAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1Cl 2377691 VZWKUMKUWQWBNE-IQGLISFBSA-N 402.258 5.079 0 40 HKAB c1ccc(-c2nc(CSc3nnc(-c4ccccc4)c4ccccc34)cs2)cc1 2636152 QSBMNNYPQIPLAK-UHFFFAOYSA-N 411.555 6.713 0 40 HKAB Cc1cc(OCCSCCOc2cccc(Br)c2)ccc1C(C)C 2655051 NMVGZDOPMHKTDI-UHFFFAOYSA-N 409.389 6.072 0 40 HKAB COc1cccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(F)ccc32)c1 2690133 ISEOPGKJMLTDJQ-UHFFFAOYSA-N 401.416 5.538 0 40 HKAB COc1ccc(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)cc1 2733253 ZSOUGFIXWWJGAG-UHFFFAOYSA-N 410.851 6.206 0 40 HKAB O=C(Nc1ccc2ccccc2c1)c1cocc1C(=O)Nc1ccc2ccccc2c1 3145037 INBSVQHLYBDMNX-UHFFFAOYSA-N 406.441 6.091 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)CCC(=O)c1ccc(F)cc1 3319918 RTCGUWDTVWWCQS-UHFFFAOYSA-N 413.489 5.217 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccc(Cl)cc2)CCCC1 3329394 FNWOSBQWWOFQTF-UHFFFAOYSA-N 405.925 6.370 0 40 HKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1C 4033398 BQUJCGQNJIGHCW-FQEVSTJZSA-N 413.496 5.361 0 40 HKAB Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)nnn1-c1ccc(Cl)cc1 4316318 WMHUDLLFNNTGAN-UHFFFAOYSA-N 404.857 5.274 0 40 HKAB COC(=O)c1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 4628760 GECDKZDSKUMLSP-JQHSSLGASA-N 411.567 5.428 0 40 HKAB CCCCCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1 4875205 XQOLUSCJFKGFIQ-UHFFFAOYSA-N 405.516 5.596 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)CCC[C@]4(C)[C@@H]3CC[C@@]21C 5029528 HYEIEAPRJMJEDC-BXENJVIKSA-N 400.691 8.067 0 40 HKAB CC(C)CC(CC(C)C)C(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)C(CC(C)C)CC(C)C 5217516 VKJGXDCZAZVSBQ-WAPCQROESA-N 406.651 6.335 0 40 HKAB COc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2/C=C/c2ccc(Cl)cc2)cc1 5553111 RFALBESTBSCGMQ-SYZDPSRASA-N 414.892 5.848 0 40 HKAB O=C1CCCC[C@@H]1Sc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1 6140610 STBYXRIUQUNRGW-QHCPKHFHSA-N 419.594 6.131 0 40 HKAB COc1ccc([C@@H]2CC(c3cccc(NC(C)=O)c3)=Nc3ccccc3S2)cc1 6363475 CIDGYWPMJQCILC-DEOSSOPVSA-N 402.519 6.012 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CN1c1ccccc1Cl 6752613 XEMRFGVVRMCXRZ-IBGZPJMESA-N 421.972 6.181 0 40 HKAB O=C(NCCCc1nc2ccccc2n1Cc1ccc2ccccc2c1)c1ccco1 6753066 PHCAYHKHNPOLNZ-UHFFFAOYSA-N 409.489 5.193 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)c1 8301125 NJIJEDFGPVCHPL-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB Cc1ccc(-n2c(-c3sc(Nc4ccccc4)nc3C)nc3ccccc3c2=O)cc1 8715567 YEADOKVTNAWAJE-UHFFFAOYSA-N 424.529 5.870 0 40 HKAB CCOc1ccc([C@H]2CN3C(=O)c4ccccc4[C@@H]3c3[nH]c4ccccc4c32)cc1OC 8790307 GHHPOAMANWJCMI-FQRUVTKNSA-N 424.500 5.266 0 40 HKAB biogenic O=c1c2cc(Cl)c(Cl)cc2c(-c2ccc(F)cc2)nn1-c1ccc(Cl)cc1 8855260 RUINMEWPSBFPEX-UHFFFAOYSA-N 419.670 6.152 0 40 HKAB Cc1ccccc1-c1noc(CSc2nnc(-c3cc4c(s3)CC[C@H](C)C4)o2)n1 9056132 GUNVHHXZUMXQMI-LBPRGKRZSA-N 424.551 5.574 0 40 HKAB Cc1sc2nc([C@H](C)Sc3ncc(C(F)(F)F)cc3Cl)[nH]c(=O)c2c1C 9160487 PAANTVZSPKWTGW-QMMMGPOBSA-N 419.881 5.522 0 40 HKAB CCc1ccc2oc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)c(C)c2c1 9250761 LNUXNPXXYAIFNQ-JOCHJYFZSA-N 424.972 5.914 0 40 HKAB Cc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN32)cc1 12194448 SPWYNCKZDQQITE-WIYYLYMNSA-N 409.283 5.593 0 40 HKAB COc1cc(Nc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)nc(C)n1 12225789 GZYCRZUUNUHINA-UHFFFAOYSA-N 417.391 5.200 0 40 HKAB COc1ccc(C2=C[C@H](c3ccccc3)[C@@H]3CCCC[C@@]34Nc3ccccc3N24)cc1 12656176 VCIWUKDDAJEZBS-NYULUDCUSA-N 408.545 6.652 0 40 HKAB biogenic CCOc1cc2c(cc1NC(=O)c1sc3nc(C4CC4)nc(C)c3c1C)O[C@H](C)C2 12933018 GTWIPWWJJPEVHO-LLVKDONJSA-N 423.538 5.160 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1SCc1cccs1 13128305 POFJXSGQQOOEBQ-OAHLLOKOSA-N 424.616 6.483 0 40 HKAB COc1cccc(N[C@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)c1 13364447 XHWPDGFVHJPENR-HXUWFJFHSA-N 409.848 5.739 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1Br)c1ccccc1 13999472 ROHMVQNEESSHBG-OAHLLOKOSA-N 423.310 5.192 0 40 HKAB CN(Cc1cccs1)C(=O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 14200594 OLKRGMYZZKDVRY-UHFFFAOYSA-N 421.953 5.455 0 40 HKAB Fc1ccc(-c2nc(CSc3nnc(-c4ccncc4)n3C3CC3)cs2)cc1 14846259 DOINFKCHMUWWNX-UHFFFAOYSA-N 409.515 5.230 0 40 HKAB Clc1ccc(-c2n[nH]c(SCc3nnc(-c4ccccc4Cl)o3)n2)cc1 19928806 IVNPWKCYJXMNDB-UHFFFAOYSA-N 404.282 5.121 0 40 HKAB FC(F)(F)c1cnc(NC[C@H]2CC(c3c(Cl)cccc3Cl)=NO2)c(Cl)c1 20366090 DKMQIEPVBABDPD-SECBINFHSA-N 424.637 5.666 0 40 HKAB Cc1ccccc1[C@@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccccc1 20462192 WBCABYVCFSCTRL-SANMLTNESA-N 406.485 5.014 0 40 HKAB CCc1nn2c(C)c(C(=O)Nc3ccc(C)c(C)c3)nnc2c1-c1ccc(Cl)cc1 20672690 ZEQIYNWPAUTKJR-UHFFFAOYSA-N 419.916 5.185 0 40 HKAB Cc1ccc(-c2cnc(-c3ccccc3C(=O)NCCc3csc(C)n3)o2)cc1 24439515 RHEARZBEPUTWQS-UHFFFAOYSA-N 403.507 5.054 0 40 HKAB COc1ccc(NC(=O)c2ccc(COc3cccc4ccccc34)o2)c(OC)c1 28304366 VITNFPSVMHMHJI-UHFFFAOYSA-N 403.434 5.281 0 40 HKAB Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccc2)cc1 30862916 SAODBYZRWLWOBB-NTKDMRAZSA-N 407.941 5.938 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(C)c4C)cc3)n2)cc1 32578470 BVIUSCJTKTXSDG-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccc(F)cc3)cc2Cl)c(C)c1 33667321 OAHUOMQOLCXNFE-UHFFFAOYSA-N 412.892 5.726 0 40 HKAB O=C1N/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1ccccc1Cl 35647371 RFFPIERPAFVZLX-VGOFMYFVSA-N 417.239 5.904 0 40 HKAB CCOc1ccc(-c2csc(-c3nnn(-c4ccc(C)c(Cl)c4)c3N)n2)cc1 38486800 CYRCSYSCGLVZLR-UHFFFAOYSA-N 411.918 5.001 0 40 HKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Br)cc2)cc1 40485965 BGQYYEMWWZLJTD-HXUWFJFHSA-N 424.294 5.403 0 40 HKAB CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 58328275 PRDKCJKBHXPKOB-UHFFFAOYSA-N 422.550 5.027 0 40 HKAB O=C1c2ccccc2C(=O)N1c1ccc2nc(SCCc3ccccc3)sc2c1 59474760 ANKBOZYDFLNWNO-UHFFFAOYSA-N 416.527 5.432 0 40 HKAB CCOc1ccc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)cc1 64472503 BHRIHAFIKCTRGO-UHFFFAOYSA-N 402.519 6.165 0 40 HKAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc1C 67290021 OFUUMDIYEMCUDW-UHFFFAOYSA-N 416.550 5.361 0 40 HKAB Nc1cc(Cl)c(NC(=O)c2ccccc2Br)cc1NC1CCCCC1 72229199 SHVRVPNFZIEDHV-UHFFFAOYSA-N 422.754 5.682 0 40 HKAB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]43)[C@H]2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1 100664059 QXMLLPPWQYFRSJ-VRVGQERDSA-N 407.469 5.190 0 40 HKAB C[C@@H](CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1 101537346 CRGQFPWXDKUFPX-KRWDZBQOSA-N 406.457 5.612 0 40 HKAB CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)Nc2cccc(Cl)c2Cl)cc1 199419990 KUHMAMIFXUBWAD-AWEZNQCLSA-N 407.341 6.110 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)cc2)cc1 223157991 JCWWTFQURQDSJM-IBGZPJMESA-N 401.575 6.267 0 40 HKAB O=C(NCCCc1cccc2ccccc12)c1cc(Br)ccc1Cl 225075404 NXFBNLDODLQBRW-UHFFFAOYSA-N 402.719 5.618 0 40 HKAB O=C(O)[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)Sc1ccc(Cl)cc1 225134850 QRNRYZUVXHPHGD-HXUWFJFHSA-N 419.329 6.574 0 40 HKAB COc1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccc(OC)cc2)cc1 225318441 BNJWSWIEIMCFHY-UHFFFAOYSA-N 411.885 5.721 0 40 HKAB CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(OC)c(C)c1 225330845 LKRLKZUTVXYBTG-IRLDBZIGSA-N 414.977 5.137 0 40 HKAB S=C(NCCSCc1ccc(Cl)cc1Cl)Nc1ccccc1Cl 225340140 YVAIRZWVJUMUTF-UHFFFAOYSA-N 405.803 5.867 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c2ccccc12 225774295 WPYOMDFOVHDNET-UHFFFAOYSA-N 417.549 6.014 0 40 HKAB Cc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 226756421 YIWBSYVQVLAJGC-UHFFFAOYSA-N 423.669 5.645 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](N(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 257350320 WHZUCKVXGABTPN-XCPVWVGESA-N 413.734 7.958 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@H](C)C2)cc1 260816832 QYVDIFAKPIWDKW-WATLYSKOSA-N 418.622 5.357 0 40 HKAB CCn1c2c(s/c1=N\C(=O)c1ccc(Cl)cc1Cl)CCc1ccccc1-2 408562624 QZTBQBWSVFYSKW-ATJXCDBQSA-N 403.334 5.383 0 40 HKAB Cc1ccc(C)c2sc(NC(=S)NC(=O)/C=C/c3ccc(Cl)cc3)nc12 408624833 CJPFURALKXISIT-JXMROGBWSA-N 401.944 5.093 0 40 HKAB CCCc1sc(NC(=O)c2ccc(OC)cc2)nc1-c1ccc(Cl)cc1Cl 408835936 ZSWSLDUKSNXHEX-UHFFFAOYSA-N 421.349 6.330 0 40 HKAB Cc1cccc(C(=O)Oc2ccccc2/C=C2/N=C(/C=C/c3ccccc3)OC2=O)c1 408845151 PAZUKRUUEVPMAZ-MJNKKUJBSA-N 409.441 5.224 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Cl 409008706 AXPPXLNEYXWHOP-JFENUBAZSA-N 419.905 5.893 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1cccc(C)c1 409022493 QHYGMVTYGMYQPY-FYJGNVAPSA-N 411.523 5.417 0 40 HKAB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)NC(=S)N1C1CCCCC1 409089306 IIYIZXLWBHGYHM-BOPFTXTBSA-N 421.349 5.644 0 40 HKAB CCC(=O)Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 409184664 YYDHNSRJNOGVIS-QHCPKHFHSA-N 421.880 5.470 0 40 HKAB CCc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409331879 PEZFVIPJZIRTRQ-MUUNZHRXSA-N 418.540 6.615 0 40 HKAB Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@H]1CCCc2nc(O)ccc21 560287215 BTDBIAQMFOOQNF-QHCPKHFHSA-N 423.516 5.047 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1nc(Nc2ccc(Cl)cc2)c2ccccc2n1 941401 HNPARMRAULTGCR-UHFFFAOYSA-N 409.276 5.933 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)n2ccccc12 984154 FZTWJIDOQOHOFM-UHFFFAOYSA-N 403.865 5.667 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(F)cc2)N2CCCC2)c1C 1298314 NXWSVJRTUXXYND-JOCHJYFZSA-N 408.542 5.942 0 40 HKAB Cc1ccc2cc(CN(Cc3cccs3)C(=O)c3ccccc3C)c(=O)[nH]c2c1 1358580 IIDDYQPTPVIOCE-UHFFFAOYSA-N 402.519 5.049 0 40 HKAB COc1ccccc1NC(=O)c1sc2nc(-c3ccc(Cl)cc3)ccc2c1N 1472111 BHXAPRNBBSVSCQ-UHFFFAOYSA-N 409.898 5.460 0 40 HKAB CCN(CC)c1ccc2cc(-c3nnc(Nc4ccc(F)cc4)s3)c(=O)oc2c1 3176083 DPWMBYLYCZHGCG-UHFFFAOYSA-N 410.474 5.040 0 40 HKAB biogenic Cc1cccc(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)c1C 3177031 IODIDYIHMYFPMH-UHFFFAOYSA-N 422.248 7.288 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc3ccc(C)cc3s2)cc1 3215176 ZHGUHOSGDBXQHI-UHFFFAOYSA-N 424.529 6.018 0 40 HKAB O=C(Cc1ccc(Cl)cc1)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4267210 MZJOPPZFKCWXQN-UHFFFAOYSA-N 404.853 5.520 0 40 HKAB Cc1ccc(C2=NN(c3nc(-c4ccc(C)cc4)cs3)[C@@](O)(C(F)(F)F)C2)cc1 4478287 AKRGXFYHPNUJTA-FQEVSTJZSA-N 417.456 5.292 0 40 HKAB CCCCN(C(=O)CCc1ccccc1OC)c1nnc(-c2cccc(F)c2)s1 4982572 FYYUPXZCIJBPPK-UHFFFAOYSA-N 413.518 5.119 0 40 HKAB Cc1cc(C)c(C)c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)c1C 5039864 JRFWYLLRWPGGQD-UHFFFAOYSA-N 401.881 6.323 0 40 HKAB Cc1ccc(-n2c(C)nnc2SCC(=O)N(Cc2ccco2)C2=CCCCC2)cc1 5229296 WMMKALFTRSMADX-UHFFFAOYSA-N 422.554 5.056 0 40 HKAB COc1ccc(CN(Cc2ccco2)C(=O)Nc2cccc(Cl)c2)cc1OC 6470414 CYWGLUZJZXCWQV-UHFFFAOYSA-N 400.862 5.185 0 40 HKAB CCOc1ccc(C2=NNC(c3ccc(OC)cc3)=Nc3ccc(Cl)cc32)cc1 6600827 WUHDQWOAPCQGGE-UHFFFAOYSA-N 405.885 5.181 0 40 HKAB COc1cc(-c2nnc(S[C@H](C)c3ccccc3Cl)o2)cc(OC)c1OC 6784549 DANJOSRTBVORRG-LLVKDONJSA-N 406.891 5.269 0 40 HKAB Cc1ccc(NC(=O)Cc2nc(CSCc3ccc(Cl)cc3)cs2)cc1 7483569 SRGBDOVVHLMKGZ-UHFFFAOYSA-N 402.972 5.720 0 40 HKAB CCCc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1F 7601339 LVLULSAOBNJZGO-UHFFFAOYSA-N 406.914 5.008 0 40 HKAB COc1cccc(/C=C/C(=O)N2CCc3sccc3[C@H]2c2cccs2)c1OC 7947251 BJRFDLMTAXBMIO-SHBDEGQCSA-N 411.548 5.014 0 40 HKAB Clc1ccc(COc2ccc(Cl)cc2CNCc2ccccn2)c(Cl)c1 8436757 KVKYRAXSRSXVHH-UHFFFAOYSA-N 407.728 5.911 0 40 HKAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)Nc1ccccc1F 9165495 NZWVEEFABYMLNI-UHFFFAOYSA-N 419.890 5.475 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(C(=O)c4ccccc4)c(C)c3c2)cc1OC 9419756 PAIHHQBJBVUGFQ-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB Cc1nnc(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)n1C1CCCCC1 10014592 GFLOVZSZTOGPFM-LLVKDONJSA-N 413.374 5.518 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@@H]3c2cccnc2)cc1 10215724 FFLALKUTFDIZSL-WIOPSUGQSA-N 415.493 5.121 0 40 HKAB Cc1ccc(Cc2cnc(NC(=O)CCc3ccc(-c4ccc(F)cc4)o3)s2)cc1 11666872 BKIAMHTYLPLUAG-UHFFFAOYSA-N 420.509 6.013 0 40 HKAB CC(C)c1ccc(Cc2cnc(NC(=O)c3cc(Br)cs3)s2)cc1 11690088 XCHICAQYMZAKBF-UHFFFAOYSA-N 421.385 5.934 0 40 HKAB CN1/C(=C(\C=N\c2ccc(Cl)cc2)C(=O)c2cccs2)C(C)(C)c2ccccc21 12602879 PSYQEEWMPMSWSY-DMEDTNGESA-N 420.965 6.668 0 40 HKAB CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccccc3N)c2)cc1 12664218 MYGFNOQGJPCAOM-WEMUOSSPSA-N 414.505 5.939 0 40 HKAB biogenic Cc1ccc(OCc2nc(C(=O)Nc3ccc(Br)cc3F)cs2)cc1 12777133 WBWLWPXKSXSRQJ-UHFFFAOYSA-N 421.291 5.184 0 40 HKAB Cc1nc(COc2ccc(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)cc2)cs1 12894682 QUOGLGWPDBSASQ-UHFFFAOYSA-N 420.456 5.322 0 40 HKAB Cc1ccc(/C=C/c2nn(CN3CCC[C@H]3c3nc4ccccc4s3)c(=S)[nH]2)o1 14198058 FSFAEOKVSHKMRD-DVQDXYAYSA-N 423.567 5.417 0 40 HKAB CCOc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)ccc1OC 15016724 TUNILUVCMUTWAA-WZONZLPQSA-N 406.507 5.398 0 40 HKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccc(Cl)c1 16575982 QHPVNMDIIGGSQS-UHFFFAOYSA-N 420.896 6.533 0 40 HKAB CCOc1ccc([C@@H](C)NC(=S)Nc2cccc(Br)c2)cc1OCC 16943752 IYRGODWFXMEZHH-CYBMUJFWSA-N 423.376 5.294 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 16955177 PXBSVJGDMCEYPZ-UHFFFAOYSA-N 420.896 5.194 0 40 HKAB C[C@@H]1CCC[C@H](N2C(=O)c3ccccc3[C@@H]2NC2CCCCCCCCCCC2)[C@@H]1C 20058132 YKSIZWWEVLYGSR-PDMAMLTQSA-N 424.673 7.229 0 40 HKAB CN(C)[C@H](CNCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccs1 22786058 NDHRTFWFCAMKAR-HSZRJFAPSA-N 416.594 5.052 0 40 HKAB COC(=O)c1cc2ccccc2cc1Oc1nc(-c2ccncc2)nc2ccccc12 24041516 ZIULKIFAXZUTQD-UHFFFAOYSA-N 407.429 5.424 0 40 HKAB COc1ccc(-c2nc(CSc3nnc(C(C)C)n3C3CC3)cs2)c(OC)c1 27595531 UYYSTQAKGRWKJP-UHFFFAOYSA-N 416.572 5.169 0 40 HKAB CCCOc1cccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)c1 28288673 ZDESBJUNWQOBIY-DEOSSOPVSA-N 408.586 5.340 0 40 HKAB O=C(c1ccc(Br)cc1)N(Cc1c(F)cccc1Cl)c1ccccn1 28289840 BUUSSXSZNIGQFI-UHFFFAOYSA-N 419.681 5.484 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 32127877 OOSIJWWIRGOIER-UHFFFAOYSA-N 424.456 5.918 0 40 HKAB CN(Cc1ccsc1)C(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1 32747592 UTRFAQQXDWRDSQ-QHCPKHFHSA-N 406.576 5.517 0 40 HKAB COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1OCc1cccnc1 32832194 RFVOIJAQXCHCNL-UHFFFAOYSA-N 403.265 5.228 0 40 HKAB CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCc1ccccc1-3 36618878 LBDSSXSZKMWYNR-UHFFFAOYSA-N 420.559 5.333 0 40 HKAB Cc1cn2cc(NC(=O)c3sc(NC(=O)c4ccccc4Cl)cc3C)ccc2n1 58406998 ANQBBCRNXBLKIP-UHFFFAOYSA-N 424.913 5.171 0 40 HKAB CCCCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc3c(c2)OCO3)cc1 59471544 JJADJOJLYZZBSA-DEOSSOPVSA-N 400.478 5.529 0 40 HKAB Cc1ccc(O)c([C@@H](C(=O)NCc2c(C)cc(Cl)cc2Cl)c2ccccc2)c1 59474617 FOTNEEVECMLTDF-QFIPXVFZSA-N 414.332 5.764 0 40 HKAB CCOC(=O)C1=C(C)N2C(=NC(c3ccc(C)cc3)=C[C@H]2c2ccc(Cl)cc2)S1 67172429 FOVCQRAEUFRANJ-FQEVSTJZSA-N 424.953 5.944 0 40 HKAB Brc1cc(Br)c(Oc2ccccc2)c(Br)c1 71256933 TVZAPPGLBLTACB-UHFFFAOYSA-N 406.899 5.766 0 40 HKAB biogenic COc1ccc(OC)c(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c1 214714385 SIHDOSXPJTYPOG-RQZCQDPDSA-N 424.305 5.247 0 40 HKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 216231505 FLUZTGGPGKCJSR-AOXVDABRSA-N 417.593 6.684 0 40 HKAB CCOc1ccc(CCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1OCC 219279528 GDMZKWNDHLUSMY-FQEVSTJZSA-N 411.542 5.144 0 40 HKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1[C@@H](C)CCC[C@@H]1C 222420169 ULNUUSRBFWWGNO-KKUMJFAQSA-N 423.504 5.433 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223345186 REOJBBWOFDWEDZ-KBMIEXCESA-N 419.565 6.315 0 40 HKAB COc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccc(Cl)c(C)c1 224203487 HUIYMHVAMMOVFE-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB COc1ccc(C(=O)NC2CCCC2)cc1COc1ccc(-c2ccccc2)cc1 224213683 DLUFGEBAAZWUPT-UHFFFAOYSA-N 401.506 5.614 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)c1 224241984 UTVYKSPOCCNKIC-ZEQRLZLVSA-N 416.594 5.874 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)C2CCN(Cc3ccccc3F)CC2)c2ccccc2O1 224272790 ZWCBZBMCLWWMSC-HSZRJFAPSA-N 424.560 5.237 0 40 HKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 224331571 NFMSGLKQSBLFCO-BJKOFHAPSA-N 416.594 5.738 0 40 HKAB CCC1(CC)C[C@H](NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c2ccccc2O1 224994638 HVNGDBBQHWLVTC-IBGZPJMESA-N 401.934 5.696 0 40 HKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 225034933 ORHVKCQRJLQFPH-RUZDIDTESA-N 420.597 5.102 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)N[C@H](C)CC)cc1 225519680 VGWPSKWBWMQMOG-BWKNWUBXSA-N 422.613 5.212 0 40 HKAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1ccccc1Oc1ccccc1 225736944 ZQRGRORLEPKWRK-UHFFFAOYSA-N 404.853 5.086 0 40 HKAB COc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225786342 YQWRFFLYTBUJBL-NSHDSACASA-N 418.868 5.121 0 40 HKAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2ccccc2Oc2ccccc2)n1 225918568 WOXBOVMYOAXWTP-UHFFFAOYSA-N 410.477 5.882 0 40 HKAB CCCCN(CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@H](C)C3=C[C@@H]21 248330076 FGNDTNHMDIFKKW-LYGWVOHZSA-N 418.666 5.183 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 408624644 YQRMYPLKAAQQPJ-UHFFFAOYSA-N 400.434 5.336 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccc(F)cc2)c1 408697000 DMEHAFSNQAVQBV-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(F)cc2)c1 408697205 GAQBPHLGVKBBDN-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1cccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccccc2)c1 409103998 XZDYOESHUXNHKY-UHFFFAOYSA-N 421.953 6.067 0 40 HKAB Cc1ccc(COc2c(Cl)cc(Cl)cc2CNc2cc(C)ccc2C)cc1 409118863 UZHVZAPPPRNAPB-UHFFFAOYSA-N 400.349 7.110 0 40 HKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)cc1 409119128 QUSHUAFZBZFHFD-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB COc1c(Br)cc(Cl)cc1/C=C1\C(=O)N(CC(C)C)c2ccccc21 409122071 YSTVQLUEYMDVEN-SXGWCWSVSA-N 420.734 5.654 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c1 409270254 OGCJEFNZFRVNOQ-XSFVSMFZSA-N 421.880 5.315 0 40 HKAB O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2cccc(Cl)c2)N1c1ccccc1 409328725 AIHQWZCSRIDXEZ-AREMUKBSSA-N 424.931 6.706 0 40 HKAB COc1cccc(CC[C@@H]2O[C@@H]3c4c(C)ccc(C)c4OC(C)(C)[C@H]3C[C@H]2C(=O)O)c1 585264753 LFBVIIXOEIUAPB-XBJMDHIQSA-N 424.537 5.263 0 40 HKAB O=C(/C=C/c1cccs1)N1CCC2(CC1)CN(c1ccccc1)c1ccccc12 2055806631 DVNYRKTXMDJICC-OUKQBFOZSA-N 400.547 5.473 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1OC 849033 ZAZOXVLGTKSVTG-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB Cc1cc2nc(C3CCN(C(=O)Nc4ccccc4-c4ccccc4)CC3)[nH]c2cc1C 1327386 WTFQWZUCBVZJOB-UHFFFAOYSA-N 424.548 6.258 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(N2CCCCC2)cc1 1840304 IAMCBWNUPVBYPB-BJMVGYQFSA-N 405.325 5.644 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1cccc(C)c1C 1986316 CBQKGYCMDKICSZ-UHFFFAOYSA-N 409.507 5.226 0 40 HKAB O=C(CSc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3)N1CCCCC1 2327721 ZOEINBJQIKAVSH-UHFFFAOYSA-N 423.607 5.342 0 40 HKAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)COc1ccc(Cl)cc1 2334053 UFUXGGUPJNRYBQ-AREMUKBSSA-N 419.952 6.240 0 40 HKAB CCCCCCSc1nc2c(c(=O)n1CCC)C1(CCCCC1)Cc1ccccc1-2 2373133 KYVWUSUMCPAXNP-UHFFFAOYSA-N 424.654 6.751 0 40 HKAB CCCc1nc2sc3c(NCc4ccccc4)nc(SC)nc3c2c2c1CCC2 2409078 TUDCYMJFCNQHRP-UHFFFAOYSA-N 420.607 6.015 0 40 HKAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1c(-c3ccc(C(C)(C)C)cc3)nnc21 2413602 IDACEOOZWBSACN-UHFFFAOYSA-N 416.916 5.390 0 40 HKAB CC(C)(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccco2)cc1 2428239 IYJSEFWEBUHLLG-JOCHJYFZSA-N 413.473 5.429 0 40 HKAB c1ccc(CSc2nc(NCc3ccco3)c3c4c(sc3n2)CCCC4)cc1 2438121 BYAUQEUJBSAPMP-UHFFFAOYSA-N 407.564 6.068 0 40 HKAB COc1ccc(-c2cc(=O)c3cc(OCc4cccc5ccccc45)ccc3o2)cc1 2886923 XTMFIFDRBBEBJH-UHFFFAOYSA-N 408.453 6.201 0 40 HKAB Cc1cc(C)n(C[C@@H](O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)n1 3213745 PHRBKIUKMGYXQS-DEOSSOPVSA-N 421.544 5.850 0 40 HKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1Cl 3276107 OQJLNLAYBPLXFD-UHFFFAOYSA-N 414.288 5.307 0 40 HKAB Cc1cccc(C(=O)Nc2ccccc2C(=O)OCc2ccc(Cl)cc2Cl)c1 3293275 LWRWIXIRLUFYDJ-UHFFFAOYSA-N 414.288 5.911 0 40 HKAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(-c2nc3ccccc3s2)o1 3359635 ATOLCWKAPAXSBS-KRWDZBQOSA-N 421.522 5.106 0 40 HKAB CCOc1ccccc1NC(=O)CSc1nnc(Nc2cccc(C)c2C)s1 3402540 YKHUPHQARQRGJR-UHFFFAOYSA-N 414.556 5.028 0 40 HKAB Cc1cccc(OCC(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1 3655419 IOBOVNLQHWPEQL-UHFFFAOYSA-N 403.409 5.129 0 40 HKAB CCCCCCc1cc2cc(-c3nnc(-c4ccc(C)cc4)o3)c(=O)oc2cc1O 4078921 LIDKCASIVMKXJT-UHFFFAOYSA-N 404.466 5.647 0 40 HKAB biogenic Cc1ccc(-c2csc(N(CCCN(C)C)C(=O)c3cccc(Cl)c3)n2)cc1 4214835 ODSCASPQZFTSPN-UHFFFAOYSA-N 413.974 5.370 0 40 HKAB Brc1ccc(-c2cs/c(=N\c3ccccn3)n2-c2ccccc2)cc1 4571399 BVVVYOMZJNFEHM-ATJXCDBQSA-N 408.324 5.596 0 40 HKAB Cc1ccc(-c2cnc(NCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2C)cc1C 4678994 CXZOLAJMAYIOHJ-UHFFFAOYSA-N 419.613 6.617 0 40 HKAB CCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2c(C)cc(C)cc2nc1Cl 4880813 ZNGOMPUSOHGCCA-UHFFFAOYSA-N 410.901 5.173 0 40 HKAB CCSc1cccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)c1 5241081 ZMVVJCJAQNHMBU-UHFFFAOYSA-N 400.525 5.192 0 40 HKAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)c1c[nH]c2ccccc12 5332623 LWKBGSOZFLPXFN-ZDUSSCGKSA-N 406.486 5.264 0 40 HKAB CC(=O)Nc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 5938634 AGMMQMFUFIVUSP-UHFFFAOYSA-N 406.294 5.328 0 40 HKAB O=C(Nc1ccc2nc(NC(=O)c3cccc(F)c3)sc2c1)c1cccc(F)c1 6471476 MNWZQNZDPHHYBK-UHFFFAOYSA-N 409.417 5.079 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 6882632 CJJMNZHHLBMPDG-UHFFFAOYSA-N 400.183 6.525 0 40 HKAB CC(=O)c1ccc(OCCCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 7986322 HSVBOQXRJGZZQW-UHFFFAOYSA-N 413.477 5.230 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)nc2c1 8198274 LPGUPZKIFOTYDZ-HNNXBMFYSA-N 404.897 6.914 0 40 HKAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2cc(C)n(C(C)(C)C)c2C)S1 8334044 AMQBQXNMVOQBTJ-WOJGMQOQSA-N 401.963 5.713 0 40 HKAB CN(C)CCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 8373820 YQDAQPBXIHQFBH-UHFFFAOYSA-N 417.380 5.767 0 40 HKAB Cc1cccc(-c2nnc([C@H](C)Sc3nnc(C4CC4)n3-c3ccccc3)o2)c1 8405781 XVZOACWMURAXSM-HNNXBMFYSA-N 403.511 5.356 0 40 HKAB CC(=O)[C@@H](Sc1nc2scc(-c3ccccc3)c2c(=O)n1C)c1ccccc1 8944117 NMCMMYMBXDGAOR-LJQANCHMSA-N 406.532 5.084 0 40 HKAB COc1ccc(-c2c(C)noc2-c2ccc(OCc3cccc(Cl)c3)cc2O)cc1 9129763 JYEXMHJWJWNQRK-UHFFFAOYSA-N 421.880 6.264 0 40 HKAB biogenic C[C@@H]1CCc2c(sc3ncn(CC(=O)c4ccc(C5CCCCC5)cc4)c(=O)c23)C1 12616733 SCVDEDHEIYDNQY-MRXNPFEDSA-N 420.578 5.513 0 40 HKAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1 13645890 PLPHSIYWARLEDM-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB Clc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(Cl)c1 14674005 FNCCXOHNEYHRGC-UHFFFAOYSA-N 413.333 5.928 0 40 HKAB Cc1cc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3)o2)ccc1Br 16282215 XSEIXUAYTCIXKU-FQEVSTJZSA-N 420.310 6.009 0 40 HKAB Clc1cc2c(cc1CSc1nnc(-c3ccncc3)n1-c1ccccc1)OCO2 16523740 XFAYKEJTXGXNCS-UHFFFAOYSA-N 422.897 5.004 0 40 HKAB CCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)c1 16751991 TWTKRZTUVGIGTL-QFIPXVFZSA-N 405.494 5.317 0 40 HKAB Cc1ccc(-c2nn(-c3cccc(F)c3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C 17083083 IJMCIUAKJUUYGT-UHFFFAOYSA-N 404.916 7.232 0 40 HKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 17091792 HEPFQNXZGBJCHQ-ZDUSSCGKSA-N 419.377 6.839 0 40 HKAB Cc1ccc(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1Cl 17120700 VEYCPNIQHINZFV-UHFFFAOYSA-N 420.321 5.192 0 40 HKAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1cccc(-c2cc3ccccc3oc2=O)c1 20143679 LWTYXFMNEQTPOB-UHFFFAOYSA-N 419.820 5.064 0 40 HKAB CCOc1ccc(CCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OCC 20493643 RTDKPDJWQWKPJI-UHFFFAOYSA-N 416.732 6.016 0 40 HKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 22245636 ATPDSJGDQDDUSN-UHFFFAOYSA-N 409.408 5.630 0 40 HKAB COc1ccccc1CN(Cc1coc(-c2ccc(F)cc2)n1)Cc1cccs1 24376000 FMZJNCMTTWGHRY-UHFFFAOYSA-N 408.498 5.753 0 40 HKAB CCOC(=O)c1c(-c2csc(-c3ccc(NC(C)=O)cc3)n2)c(C)n(CC)c1C 24832609 LSVWGLDEDVHQTR-UHFFFAOYSA-N 411.527 5.050 0 40 HKAB Cc1ccc(-c2nc(CSc3nc4sc5c(c4c(=O)[nH]3)CCCC5)co2)c(C)c1 24834921 HHLLHGPVWOUHRZ-UHFFFAOYSA-N 423.563 5.428 0 40 HKAB COc1ccc(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1Cl 27746974 QLMQXNTYVJGYJB-LJQANCHMSA-N 404.897 5.392 0 40 HKAB Cn1ccnc1[C@@H](NCc1ccc(-c2ccccc2Cl)s1)c1ccccc1F 30645583 DZYORZLUCRYAOC-NRFANRHFSA-N 411.933 5.820 0 40 HKAB S=C(c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)N1CCOCC1 33664030 GIZKYTHKKBWOPK-UHFFFAOYSA-N 416.757 5.234 0 40 HKAB Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cc2cc(Cl)ccc2o1 33664106 PCSSYDDVIZWJCD-UHFFFAOYSA-N 424.740 6.481 0 40 HKAB CCOc1ccc2nc(Cl)c(CN(Cc3ccco3)C(=O)c3ccncc3)cc2c1 35291705 JVDABOAIUZWNCT-UHFFFAOYSA-N 421.884 5.118 0 40 HKAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(OC(F)(F)F)cc1 40074320 IVSSPZXDOSKGOW-CQSZACIVSA-N 404.388 5.050 0 40 HKAB CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)Cc1c(Cl)cccc1Cl 40153000 ACXQFDVHZMGLMB-UHFFFAOYSA-N 416.352 5.028 0 40 HKAB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1C 44859791 UHIHOVULDKTSIK-DEOSSOPVSA-N 424.504 5.281 0 40 HKAB CCc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 46078965 DENZVIZTXUJEIV-UHFFFAOYSA-N 402.469 5.233 0 40 HKAB C[C@@H]1SC2(CCC(C(C)(C)C)CC2)N(c2ccc(OCc3ccccc3)cc2)C1=O 49947096 UAAPDEPWDCWRJK-SFGGNAAOSA-N 423.622 6.667 0 40 HKAB FC(F)(F)c1nnc2ccc(Nc3ccc(NCc4ccccc4)c(Cl)c3)nn12 57995502 FXERABDMRUOGMQ-UHFFFAOYSA-N 418.810 5.152 0 40 HKAB O=C(COc1ccc(F)cc1)Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1 59417205 CPTSCDICLITSER-UHFFFAOYSA-N 423.337 5.793 0 40 HKAB CC(C)=C[C@H]1[C@H](C(=O)N2CCC(c3ncc(-c4ccc(F)c(F)c4)[nH]3)CC2)C1(C)C 65533634 LXUORYXCGLTADI-LAUBAEHRSA-N 413.512 5.299 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 65552465 HJEZMHVMOYZYES-WOJBJXKFSA-N 415.622 5.287 0 40 HKAB Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 72353864 FSQIGBNITXAISI-HXUWFJFHSA-N 405.929 5.049 0 40 HKAB O=C1c2cccc3c(Br)ccc(c23)C(=O)N1c1cccc2ccccc12 95471081 SKYMKNCXMMJSLC-UHFFFAOYSA-N 402.247 5.556 0 40 HKAB CC(C)n1c(CCCNC(=O)CC2(n3cccc3)CCCCC2)nc2ccccc21 96232214 TYZVOONILZTJAX-UHFFFAOYSA-N 406.574 5.217 0 40 HKAB CCn1/c(=N/C(=O)c2sc3ccccc3c2Cl)sc2c(C)ccc(OC)c21 100823918 DNVOIARTKRYFBN-XDOYNYLZSA-N 416.955 5.649 0 40 HKAB CCc1ccccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 101485364 AXLJFPDAZQOYMK-DHYWSWINSA-N 422.572 6.798 0 40 HKAB COc1cccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc(C)cc4)CC(O)=C32)c1 102634049 ZUKDKYNJLZUXDF-CCLHPLFOSA-N 410.517 6.633 0 40 HKAB CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1Br 106686001 DGULBNNSZLKTPC-BOPFTXTBSA-N 418.312 5.084 0 40 HKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1 106720080 WAJVPIBMCIAVAY-JCMHNJIXSA-N 403.503 5.865 0 40 HKAB CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1 106974159 WQPNNZOMCCLKNH-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB Nc1cccc(S[C@@H]2CC(=O)N(c3ccc(Oc4ccc(Cl)cc4)cc3)C2=O)c1 113562140 SFFBEHOYCJMNKK-HXUWFJFHSA-N 424.909 5.139 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219339051 HROWKVOPFUOBGW-FCHUYYIVSA-N 403.522 5.724 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219340982 LUZXSZNJCFGVCM-RTWAWAEBSA-N 407.510 5.282 0 40 HKAB CC(C)c1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 219414417 FOASYOAKEBYPEF-UHFFFAOYSA-N 413.005 5.424 0 40 HKAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl 222776209 NXZQASRBMTYHGH-MOPGFXCFSA-N 417.365 5.172 0 40 HKAB Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1Cl 222851349 UHEKLYKOWCKPOY-RTWAWAEBSA-N 411.958 5.684 0 40 HKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 222936452 QGWYIOLYPWTLHU-SFTDATJTSA-N 411.958 5.624 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(OCc2ccccc2)cc1 223072977 VKGSNCHDYHQNII-UHFFFAOYSA-N 415.917 5.930 0 40 HKAB O=C(NCCOc1cccc2ccccc12)c1ccc(CN2CCCCCC2)cc1 223559826 ZMDDIKBDAXLRJD-UHFFFAOYSA-N 402.538 5.025 0 40 HKAB CC(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 223925379 JDRMLBJSHTVPET-QHCPKHFHSA-N 422.550 5.005 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccc(C(C)(C)C)cc1 224180463 WMAQKRALCWBQRE-UHFFFAOYSA-N 407.485 5.963 0 40 HKAB COc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1cc(C)cc(C)c1 224192273 XZWJMMROVVVWNJ-UHFFFAOYSA-N 411.501 6.297 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1)c1ccc(C)cc1C 224811680 MUCIMXCGZAAFRA-KDYMBEQYSA-N 416.521 5.243 0 40 HKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 224827884 UTPXUIAMHFDNDN-YADARESESA-N 419.565 5.676 0 40 HKAB COc1cccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)c1 225363832 LQQOCAKZFCMHCG-UHFFFAOYSA-N 401.384 5.222 0 40 HKAB Cc1ccc(-c2nc(C)c(-c3cc(C(=O)NCc4ccc(Cl)cc4)[nH]n3)s2)cc1 225545499 LTKCRHPJGLAMJR-UHFFFAOYSA-N 422.941 5.400 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225831678 JUUFYUOFZIBTHJ-UHFFFAOYSA-N 417.896 5.937 0 40 HKAB Cc1cc(C)nc(Nc2ccccc2C(=O)NC(c2ccccc2)c2ccccc2)n1 225918690 SSPKSGBQLQCIHL-UHFFFAOYSA-N 408.505 5.356 0 40 HKAB Cc1nc([C@]2(O)CCCN(CC(C)C)CC2)sc1CCOc1ccccc1Cl 257313556 UTDLVDPIUXPMOS-QFIPXVFZSA-N 423.022 5.056 0 40 HKAB Fc1cccc(Cl)c1COc1ccc(Cl)cc1C(=S)NCc1ccccc1 408578168 WJSJHURPINWZBH-UHFFFAOYSA-N 420.336 6.177 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2ccccc2)cc1 408697486 JSVAIAATESHXIL-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3)n2)cc1 408723942 ASSMJENUEDFOTC-UHFFFAOYSA-N 403.485 6.253 0 40 HKAB O=S1(=O)c2ccccc2N[C@@H](c2c(Cl)cccc2Cl)N1Cc1ccccc1 409135330 ULBLJWFMVZFJLF-HXUWFJFHSA-N 419.333 5.309 0 40 HKAB CCN1N=C(c2ccc(C)cc2)[C@H]2C=C[C@@H](O)c3c(C(=O)c4ccc(C)cc4)ccc1c32 670417860 XFZPBTQFWLBZNL-XUZZJYLKSA-N 422.528 5.465 0 40 HKAB COc1ccccc1NCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 949896 YZCFRMIIRFUKJZ-UHFFFAOYSA-N 422.337 5.100 0 40 HKAB COC(=O)Oc1ccc2c(=O)c(-c3cccc4ccccc34)c(C(F)(F)F)oc2c1 1770093 DYDXZQVXKLQALL-UHFFFAOYSA-N 414.335 5.777 0 40 HKAB Clc1ccc(-c2csc(-c3cccc(Cn4cnc(Cl)c4Cl)c3)n2)cc1 2151051 SPHXOMQDKSMXNR-UHFFFAOYSA-N 420.752 6.682 0 40 HKAB Clc1cccc(-c2nnc(SC/C=C/c3ccccc3)n2-c2ccccc2)c1 2315606 ITMBNJJSLZYFDL-DHZHZOJOSA-N 403.938 6.393 0 40 HKAB O=C(O)[C@H](Cc1ccccc1)Nc1nc(-c2ccccc2)nc2c1oc1ccccc12 2413576 NFIJJGGDKVUBEL-IBGZPJMESA-N 409.445 5.151 0 40 HKAB CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(CC)cc3)cc12 2502132 FLQKLKXLTFSOSE-UHFFFAOYSA-N 415.511 5.061 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)Nc1cccc2ccccc12 3079641 UBYDQUASHOIKKO-UHFFFAOYSA-N 413.443 6.493 0 40 HKAB CC[C@@H](c1nnc(SCc2nc3ccccc3s2)n1Cc1ccccc1)N(C)C 3504340 JZZHCEZHFTYGOK-SFHVURJKSA-N 423.611 5.241 0 40 HKAB Oc1cc2c(cc1Cl)C1(CCCC1)[C@@H]1CCC[C@]1(c1cc(Cl)c(O)cc1O)O2 3627463 CBWKENFMNUUSAG-RBBKRZOGSA-N 421.320 6.010 0 40 HKAB FC(F)(F)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1-c1ccccc1 3639340 NLDTWJCWPRRJKX-UHFFFAOYSA-N 413.346 6.162 0 40 HKAB CCOc1ccc2c(c1)[C@@H](OC(C)=O)C(C)(C)[C@H](c1ccc(Br)cc1)N2 3644663 JTMJWQFQFQGGFK-VQTJNVASSA-N 418.331 5.645 0 40 HKAB COc1ccc(C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1 3655364 KUHAPBKSTNULHH-UHFFFAOYSA-N 405.837 5.578 0 40 HKAB C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 3669340 KISIWYKVWMQNCM-NTLHWZGGSA-N 408.328 6.475 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Cl)cc2Cl)N3)C1 4545543 AQCBYPSYPUHQPE-VOJFVSQTSA-N 423.409 7.025 0 40 HKAB O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1cccc(F)c1 4548123 OZNOBANMZJLPEH-UHFFFAOYSA-N 411.230 5.649 0 40 HKAB CCCCCC1CCC(c2ccc(-c3nc(-c4ccc(OC)cc4)no3)cc2)CC1 4599783 OXCOULTYJYJSNM-UHFFFAOYSA-N 404.554 7.266 0 40 HKAB CC(C)COC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 4664280 TYSWBDQCOWZSPF-KROKWJMESA-N 424.585 5.350 0 40 HKAB CC(=O)O[C@@H](C(=O)N1c2ccccc2[C@@H](Nc2ccccc2)C[C@@H]1C)c1ccccc1 4674107 VVLNDNHZGBIEPT-VVMVZBAXSA-N 414.505 5.269 0 40 HKAB Cc1ccc(C)c(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2ccco2)c1 4920540 ODEDHSDSALPNIS-UHFFFAOYSA-N 417.578 6.128 0 40 HKAB Cc1cccc(NC(=S)N(Cc2cc3ccc(C)c(C)c3nc2Cl)C2CC2)c1 4973514 DLUQUEXAZKJRFB-UHFFFAOYSA-N 409.986 6.175 0 40 HKAB C[C@H]1C[C@H](C)CN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn23)C1 4980557 SRFANEDEAKQHCV-ROUUACIJSA-N 400.501 5.685 0 40 HKAB COc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccc(C)cc2)cc1 5485705 XRJDBGWFQIKPAS-UHFFFAOYSA-N 415.518 5.226 0 40 HKAB CCCC[C@@H](CC)COC(=O)c1ccc(C(=O)OCCCCCCCC(C)C)cc1 5553712 URUPPBNOHCOUEQ-JOCHJYFZSA-N 418.618 7.213 0 40 HKAB COc1ccc(/C=C2/N=C(SCc3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1 6550876 WDCNQQIQGWTHHM-UDWIEESQSA-N 414.958 5.477 0 40 HKAB CCOc1ccccc1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 7604409 QDLMMXIIGDGFPJ-UHFFFAOYSA-N 418.880 5.480 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 7779082 CQBCWZQFHWXSJU-KWJFTMPMSA-N 415.940 5.308 0 40 HKAB COc1ccc(C(=O)Cn2nc(COc3cc(C)ccc3C(C)C)oc2=S)cc1 8549797 ZLYGOBDONXJUIF-UHFFFAOYSA-N 412.511 5.108 0 40 HKAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc(Cl)c2)c1 8612031 UJVREJBSCMBISO-UHFFFAOYSA-N 402.881 5.337 0 40 HKAB aggregator OCCn1c(-c2ccc(Cl)cc2)cn2c(-c3ccccc3)c(-c3ccccc3)nc12 9060045 NSZRBXBHMFOBTE-UHFFFAOYSA-N 413.908 5.783 0 40 HKAB CSc1ccc([C@H]2[C@@H](C(=O)O)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 9480707 PDFJGTLLFPVGRO-VXKWHMMOSA-N 421.493 5.113 0 40 HKAB COc1ccc([C@H](CNc2ncnc3sc(-c4ccccc4)cc23)N(C)C)cc1 12614205 LYXLTHBZOFPIQS-FQEVSTJZSA-N 404.539 5.082 0 40 HKAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2nc3c(C)cc(C)cc3s2)cc1 12924962 IGSOMQCAQJPGQK-UHFFFAOYSA-N 423.567 5.171 0 40 HKAB CCCCCC(=O)NC(=S)Nc1cc(-c2cc3ccccc3oc2=O)ccc1C 17088052 LHKRGHLYRCCZER-UHFFFAOYSA-N 408.523 5.162 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)NCc3ccccc3)o2)cc1Cl 17088718 RRUVLJDDKKKHBW-ZRDIBKRKSA-N 410.926 5.113 0 40 HKAB CCn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccc2c(c1)OCO2 17093195 HGCVXOIYGWUGMG-UHFFFAOYSA-N 422.535 5.110 0 40 HKAB CC(C)(Br)C(=O)Nc1nc2ccc(OCc3ccccc3F)cc2s1 20133231 ROUHMQHORRORLN-UHFFFAOYSA-N 423.307 5.126 0 40 HKAB O=C(N[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 20509622 WILLTCIJEHCZPY-LJQANCHMSA-N 407.832 5.049 0 40 HKAB CCc1cccc(C)c1NC(=O)c1cn(CC)c2ccc(C(F)(F)F)cc2c1=O 22236731 MPPOSLKGJJADLM-UHFFFAOYSA-N 402.416 5.163 0 40 HKAB CCn1c(SCc2nc(-c3ccc(Cl)cc3)oc2C)nc2ccccc2c1=O 23119031 VZZXHAWNQIHQHN-UHFFFAOYSA-N 411.914 5.326 0 40 HKAB COc1ccc(-c2nc(CSc3ccc(NC(C)=O)cc3)cs2)c(OC)c1 27593970 JYYJJWQDUVFCKD-UHFFFAOYSA-N 400.525 5.078 0 40 HKAB Cc1nc(C2(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CCCCC2)no1 29057902 ZBPGHMZLUZNYLO-UHFFFAOYSA-N 421.341 5.005 0 40 HKAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c2cccnc12 32593292 KJPYEXPCIQKSAZ-GFCCVEGCSA-N 405.281 5.346 0 40 HKAB COc1cc(-c2nc3cccc(C)n3c2Nc2ccc(C(C)C)cc2)cc(OC)c1O 35606422 GVCWXPNFGLBMIF-UHFFFAOYSA-N 417.509 5.900 0 40 HKAB C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1 44934166 MCXRZRORBMVINZ-CQSZACIVSA-N 409.332 5.222 0 40 HKAB CCOc1cc(-c2ccc(OC)cc2)nc2ccc(NC(=O)c3ccccc3F)cc12 65033909 DYCZSTUTKIIGPR-UHFFFAOYSA-N 416.452 5.701 0 40 HKAB Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccc(Cl)cc1F 67297017 JEZYXVDTTMLUAL-VYIQYICTSA-N 406.844 6.018 0 40 HKAB C[C@@H](Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1nc2c(s1)CCCC2 78931184 IGTASZXEVPPHFH-LLVKDONJSA-N 405.449 5.066 0 40 HKAB COc1ccc([C@H]2Sc3ccccc3N=C3c4cc(C)ccc4OC[C@H]32)cc1OC 96562529 ZZMVYMZKZAFILE-IQGLISFBSA-N 417.530 5.989 0 40 HKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCc5nc6ccccc6[nH]5)(C4)C2)C3)cc1 102324122 QWVUIOANRQMMKB-JKRLWXMKSA-N 400.522 5.453 0 40 HKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 106702509 QZDNOGWNILWCHK-NDENLUEZSA-N 409.894 6.145 0 40 HKAB CCOc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(C)cc1 106982147 ZKRDOMYLKSTREF-UHFFFAOYSA-N 409.957 6.855 0 40 HKAB CC(C)Sc1ccccc1C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219659815 WTCCILLSZYDAIB-UHFFFAOYSA-N 401.919 5.163 0 40 HKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 222865116 QLHMLBWXKJUWAU-PMACEKPBSA-N 414.937 5.047 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3ccccc3C)c2)cc1 224374579 HARQEFFXIXDHRJ-UHFFFAOYSA-N 405.494 5.624 0 40 HKAB CCOc1ccc(C(=O)NC(C)(C)C)cc1COc1ccc(-c2ccccc2)cc1 224551018 OWGPBYXVBYEEKI-UHFFFAOYSA-N 403.522 5.860 0 40 HKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C(C)C)c1C 224563559 ZWUJMLJRNSLHHF-XZOQPEGZSA-N 420.582 5.267 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1COC 224689675 MERYBORYNUATGP-UHFFFAOYSA-N 411.885 5.930 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225164541 OZVZRSBILSNKPN-KRWDZBQOSA-N 420.987 5.807 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)CC(C)(C)O2 225337243 DANBRGIGTCGBTO-SFHVURJKSA-N 408.325 5.353 0 40 HKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225735383 RKNOXLGCMMAZAD-OFVILXPXSA-N 418.622 5.500 0 40 HKAB Cc1ccc(C2(NC(=S)Nc3ccc(N4CCCC4=O)c(C)c3)CCCC2)cc1 225869472 IIQBBEPXNKEFLS-UHFFFAOYSA-N 407.583 5.186 0 40 HKAB CCc1nc2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc2n1C 225897553 MABPYFVXKIFDFK-UHFFFAOYSA-N 405.885 5.834 0 40 HKAB COc1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)cc1Cl 226343600 ZRMMTQUKYSHUIL-UHFFFAOYSA-N 416.500 5.417 0 40 HKAB Clc1cc(NCc2ccc(OCc3ccccc3)cc2)ccc1Br 301135423 PFLFFCJPLMSNJD-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB CCCc1s/c(=N\C(=O)c2cccc(Cl)c2)n(CC)c1-c1ccc(Cl)cc1 408562319 OUTZBORFOYKZBN-FLFQWRMESA-N 419.377 6.237 0 40 HKAB CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl 409053108 KOZMHOQGFCUXSN-YVLHZVERSA-N 422.333 5.937 0 40 HKAB O=C(c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2)N1CCCCCC1 409169733 YXZSLCXYFHAABE-QAVHCGMISA-N 400.566 5.999 0 40 HKAB O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1cccc(Br)c1 409175080 ZBWMKZZRBLGRNT-NSYQEJESSA-N 400.297 5.242 0 40 HKAB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1ccccc1 409178309 MASNBWJKNQUKQS-XMMPIXPASA-N 421.880 5.226 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(C(=S)N2CCC(C)CC2)cc1 409247484 HQNVEDUZQKZVNW-UHFFFAOYSA-N 416.974 5.073 0 40 HKAB O=C1N/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)C(=O)N1Cc1ccccc1 409345274 LCOPUZRDBFDNTC-LDADJPATSA-N 412.367 5.058 0 40 HKAB Cc1nn(CCNC(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1-c1ccsc1 575614677 APARAIZTZRLMSG-UHFFFAOYSA-N 408.449 5.069 0 40 HKAB CC(C)=CCC[C@]1(C)Oc2cc(-c3ccc(C(=O)O)cc3)ccc2[C@@H]2O[C@H](C)CC[C@H]21 585265830 RFGYGDWSEORNED-BIIVWMMYSA-N 420.549 6.806 0 40 HKAB CC(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 1889160470 ZONPAOQEAXCIKO-HDNNCTIPSA-N 422.653 6.568 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)c3cccs3)cc2c1 1359345 ISLQYGZQUUWMNJ-UHFFFAOYSA-N 416.546 5.303 0 40 HKAB COc1cccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)c1 2118979 XQQFMVITIWLXKU-UHFFFAOYSA-N 413.473 5.057 0 40 HKAB biogenic CCCCSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCC1)Cc1ccccc1-2 2229332 JOULABNNZRIVFK-UHFFFAOYSA-N 416.590 6.160 0 40 HKAB CCCCCCOC(=O)c1ccccc1NC(=O)Nc1cccc(C(F)(F)F)c1 2290146 VUXLQNGNOKUQGS-UHFFFAOYSA-N 408.420 6.087 0 40 HKAB Clc1ccc(-c2nc(-c3ccccc3)ncc2-c2nnnn2-c2ccccc2)cc1 2385023 DLRNVBGNFHACDC-UHFFFAOYSA-N 410.868 5.107 0 40 HKAB Cc1cccc(-c2nnc(SCc3cccc(F)c3)n2-c2ccc(Cl)cc2)c1 2443952 UROWNYCNWMQWFA-UHFFFAOYSA-N 409.917 6.328 0 40 HKAB Cc1cc(SCc2ccccc2Cl)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 2449629 GWKKZSULACPDER-UHFFFAOYSA-N 414.361 6.612 0 40 HKAB CC(=O)Nc1ccc(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 2621601 FIFWKQDLQCYTOE-DEOSSOPVSA-N 400.503 5.843 0 40 HKAB Clc1ccc(-c2csc(Nc3ccc(Br)cc3)n2)cc1Cl 3079527 YPNWXYDLQJILKD-UHFFFAOYSA-N 400.128 6.623 0 40 HKAB O=C(C[C@H](c1ccccc1)[C@H](CC(=O)c1ccccc1)c1ccccc1)c1ccccc1 3154738 AJNWAXANBBNSKO-VSGBNLITSA-N 418.536 7.100 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)cc12 3219978 DQFYVQVMIGATCL-ZJNRKIDTSA-N 401.963 5.603 0 40 HKAB CCN(CC)c1ccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 3276747 CPELEQROUKHPMX-UHFFFAOYSA-N 420.365 6.215 0 40 HKAB Cc1cc(C)c(NC(=O)C2CCN(c3ncnc4sc(C)c(C)c34)CC2)c(C)c1 3438013 BUUZXPYEMYPFGK-UHFFFAOYSA-N 408.571 5.089 0 40 HKAB O=c1c2ccccc2nc(SCc2ccc(F)c3ccccc23)n1-c1ccccc1 3667513 RGUBLJTXQBLHAN-UHFFFAOYSA-N 412.489 5.970 0 40 HKAB Brc1ccc(-c2nnc(-c3ccc(Br)s3)s2)s1 3848432 OZHIDLZFNRQUJD-UHFFFAOYSA-N 408.165 5.520 0 40 HKAB biogenic Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1cc(-c2ccc(F)cc2)on1 4110905 NAVLKQYAJJKJIV-UHFFFAOYSA-N 424.863 5.248 0 40 HKAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1c(F)cccc1Cl 4305560 UDZFRDCQSPXKNT-SFHVURJKSA-N 400.906 5.074 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1C(=O)O 4535730 YJECRTBMHVZAJW-UHFFFAOYSA-N 404.702 5.217 0 40 HKAB C[C@H](CC(=O)NCCc1ccccc1)CC(=O)N(c1ccccc1)c1ccccc1 4700780 OTAZHBFIZQEBFK-OAQYLSRUSA-N 400.522 5.127 0 40 HKAB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccc(Cl)c1 4800620 WDYFEAAUYVUIBO-UHFFFAOYSA-N 414.962 5.274 0 40 HKAB Cc1ccccc1C(=O)c1c(NC(=O)CN(C)C2CCCCC2)sc2c1CCCC2 4889916 PXBJITKWXLGZPW-UHFFFAOYSA-N 424.610 5.369 0 40 HKAB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@]4(C)[C@@H]3CC[C@]12C 4906860 JNLBJTOWMWKEJV-IEEFGCTJSA-N 418.618 5.873 0 40 HKAB C[C@H](CNC(=O)Nc1cccc2ccccc12)NC(=O)Nc1cccc2ccccc12 5003757 VSGJHIFWJSBQGH-QGZVFWFLSA-N 412.493 5.325 0 40 HKAB CC[C@H](C)Cc1c(C)sc2nc(SCc3ccc(OC)c(F)c3)[nH]c(=O)c12 5165858 MYHXGSYNFQJLAR-NSHDSACASA-N 406.548 5.322 0 40 HKAB O=C(O)O[C@]1(CC2c3ccccc3-c3ccccc32)C(F)=C(F)C(F)=C(F)[C@@H]1F 5225939 YQCQZAIPKWXXJX-RXVVDRJESA-N 408.322 6.275 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OC)cc4)c3)nc2c1 5476800 LHFOUUKWWDXZEA-INIZCTEOSA-N 400.478 6.269 0 40 HKAB CCCCn1c(SCC(=O)C23CC4CC(CC(C4)C2)C3)nc2ccccc2c1=O 6048652 DITFACIMXBFYPB-UHFFFAOYSA-N 410.583 5.074 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C)cc4Cl)c3)nc2c1 6440221 UYHTZGMZHPGAPN-MRXNPFEDSA-N 418.924 7.222 0 40 HKAB COc1ccccc1OC(=O)c1ccc(COc2ccc(Br)cc2)cc1 6470801 IGADQWIVXQLTCU-UHFFFAOYSA-N 413.267 5.256 0 40 HKAB Cc1nn(C2CCCCC2)c2c1[C@H](c1ccc(Br)cc1)SCC(=O)N2 6500487 CPELZZOXSNTRSP-SFHVURJKSA-N 420.376 5.234 0 40 HKAB CCOc1ccc2nc(NC(=O)COc3ccc(C4CCCCC4)cc3)sc2c1 6657183 DUYHOONUUXYHQH-UHFFFAOYSA-N 410.539 5.760 0 40 HKAB Cc1cc(C)cc(SCc2nc3ccc(Cl)cc3c(=O)n2-c2ccccc2C)c1 6861274 OHGCYOVFCGUEDL-UHFFFAOYSA-N 420.965 6.257 0 40 HKAB O=C(O)C/C(=C\c1ccccc1OCc1ccccc1)c1nc2ccccc2s1 7155797 WAMDQHLDRCEJRF-XMHGGMMESA-N 401.487 5.891 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2Cl)cc1 7699499 RGISQYDGKLDTCV-UHFFFAOYSA-N 405.803 6.190 0 40 HKAB Cc1ccc(N(Cc2ccccc2)C(=O)/C=C/c2ccc(Br)s2)cc1 7973375 ZLJLLDZSSIRBCI-WYMLVPIESA-N 412.352 6.066 0 40 HKAB Clc1ccccc1COc1ccc(Br)cc1CNCc1ccncc1 8435791 GPXHGDGHHGOUIB-UHFFFAOYSA-N 417.734 5.366 0 40 HKAB Cc1ccc(C)n1N(Cc1ccccc1Cl)C(=O)c1ccc(Cl)c(Cl)c1 8475557 OSGSVIRFKUYNON-UHFFFAOYSA-N 407.728 6.044 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccccc3)on2)cc1 8673963 YLNQGZHSNVVESL-UHFFFAOYSA-N 422.440 5.880 0 40 HKAB CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(F)cc3Cl)o2)cc1 9478320 QGLNYHKOUGBHIN-LLVKDONJSA-N 421.881 5.047 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(Oc2ccccc2)cc1 9805323 JCEIWCCCFCVBOO-UHFFFAOYSA-N 418.345 6.658 0 40 HKAB Cc1cc(C)c(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)c(C)c1 12555418 XUGKPRBIDDUQNX-UHFFFAOYSA-N 401.535 5.682 0 40 HKAB C[C@H](Nc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 12588512 UUJQMIGOZGVPMD-FQEVSTJZSA-N 415.537 5.305 0 40 HKAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1cc(Cl)ccc1Cl 12734096 FJDGDPGNHUFXPQ-UHFFFAOYSA-N 409.357 5.045 0 40 HKAB Clc1ccccc1-c1nnc(Sc2ncnc3sc4c(c23)CCCCC4)o1 12755974 OHIDOBLKGXJDKD-UHFFFAOYSA-N 414.943 5.815 0 40 HKAB Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)C=C[C@@H](c4ccccc4)[C@@H]3C2=O)c1C 13577143 KELPOJPJNQMGFZ-AYEHBTSNSA-N 407.513 5.546 0 40 HKAB O=C(COc1ccccc1)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 13940545 PAZZUAKFVNNBBS-UHFFFAOYSA-N 414.795 5.444 0 40 HKAB Cc1c(C(=O)c2ccc(Cl)cc2)oc2ccc(NC(=O)/C=C/c3ccccc3)cc12 15729491 BMXBUSQXZKHPJV-VGOFMYFVSA-N 415.876 6.278 0 40 HKAB Clc1ccc(-c2nc(SCc3nc4ccccc4[nH]3)nc3c2CCCC3)cc1 16525084 LPKDBHUSBBYRHD-UHFFFAOYSA-N 406.942 5.844 0 40 HKAB COc1cccc(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)c1 17088682 RPRAJKHAAGOVSB-UHFFFAOYSA-N 410.851 6.206 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1Cl 17093747 VSNKKEPJXBZSPJ-PNXJQBMXSA-N 423.984 6.643 0 40 HKAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN(C(=O)c3ccc(C(C)(C)C)cc3)C2)on1 19122110 QNNXXUKUTFBLKS-IBGZPJMESA-N 418.541 5.066 0 40 HKAB O=c1c(CN2CCCCC[C@@H]2c2cc(-c3cccs3)on2)coc2ccccc12 19375883 QMTSTADVRMJZDH-LJQANCHMSA-N 406.507 5.627 0 40 HKAB O=C(O)Cc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 20150939 MTXKKIAMQDRRGN-PKNBQFBNSA-N 416.260 5.532 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](c1ccccc1)c1ccccc1C 20485059 JVAPYGNZANPTFB-VPUSJEBWSA-N 409.529 6.211 0 40 HKAB Clc1ccc(Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1Cl 27643219 JGKJNNMQMDQNCO-UHFFFAOYSA-N 401.301 5.266 0 40 HKAB O=C(COc1ccccc1)Nc1nc(-c2ccc(-c3ccc(F)cc3)s2)cs1 27913938 NOBYZINQHBVVJK-UHFFFAOYSA-N 410.495 5.695 0 40 HKAB Cc1ccc(-c2nsc(NC(=O)c3cc(-c4ccc5c(c4)CCCC5)on3)n2)s1 28291181 CSVWVLVCKZUPHA-UHFFFAOYSA-N 422.535 5.361 0 40 HKAB C[C@@H](OC(=O)c1csc(-c2ccsc2)n1)C(=O)Nc1ccc(C(C)(C)C)cc1 32776547 ACRSSVFMZMMJTA-CYBMUJFWSA-N 414.552 5.353 0 40 HKAB CCCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc(Br)c1 33292629 JAVATXYEFNJDMY-UHFFFAOYSA-N 400.276 5.011 0 40 HKAB O=c1c2c(ncn1Cc1ccccc1)c1cc(F)ccc1n2Cc1ccc(Cl)cc1 35400299 VKZTUYHLEVLGCD-UHFFFAOYSA-N 417.871 5.240 0 40 HKAB O=C1N/C(=N\c2ccc(Cl)cc2C(F)(F)F)S/C1=C/c1ccccc1F 35647274 AXIHXKJXVDFOJX-VGOFMYFVSA-N 400.784 5.390 0 40 HKAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N[C@H](C)c3ccccc3)c12 36613240 HEXNZNJXFMSARW-QGZVFWFLSA-N 410.521 5.156 0 40 HKAB CCOc1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1 36616003 RKACNAROHYYPGZ-UHFFFAOYSA-N 412.493 5.257 0 40 HKAB CCCc1nnsc1C(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1 38680147 PGHOJKJUYPKEGU-UHFFFAOYSA-N 406.536 5.533 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(-c2ccc(Br)cc2)[nH]n1 44837419 WPXWQCRZLMSJDC-UHFFFAOYSA-N 411.086 5.398 0 40 HKAB CC(C)C[C@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccccc1 44844806 NAFKIMMLNPUCGR-FQEVSTJZSA-N 418.375 5.855 0 40 HKAB Cc1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)ccc1Br 44903355 FRSPBTBYTJPWGN-UHFFFAOYSA-N 418.312 5.351 0 40 HKAB O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc2nsnc2c1 57313225 IFZIUOAWDZADGV-UHFFFAOYSA-N 406.854 5.405 0 40 HKAB CC(C)c1ccc(CN(C)Cc2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 58159638 FWRFHMZWNKJMLU-UHFFFAOYSA-N 414.962 5.199 0 40 HKAB Cc1cc(CN2CCC(C(F)(F)F)(C(F)(F)F)C2)nc(-c2ccc(Cl)cc2)n1 84114670 ARMRUEZRTRFRTK-UHFFFAOYSA-N 423.788 5.422 0 40 HKAB C[C@@H](NCc1ccc(C(F)(F)F)cc1)c1onc(-c2ccc(F)cc2)c1C(=O)O 96297099 GTIPCSPRBXRZCV-LLVKDONJSA-N 408.351 5.049 0 40 HKAB biogenic,in-vitro CCOc1cccc(=NCc2ccccc2)c2c(C)n(-c3ccc(OC)cc3)c(C)c12 97475375 GDTJDBSRTFDCIO-UHFFFAOYSA-N 412.533 5.756 0 40 HKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C[C@@H]3C=CCC3)CC2)on1 100743858 UYACXNGZFGXJIU-AQNXPRMDSA-N 422.573 5.310 0 40 HKAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 102249778 ZTZXEWQQNLXIIA-JTDSTZFVSA-N 422.550 5.061 0 40 HKAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 108903456 HHCUODSRPCZXCJ-JYJNAYRXSA-N 405.567 5.935 0 40 HKAB C[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc2c(c1)CCCC2 222956719 SHSJNIMSKATLNK-ZDUSSCGKSA-N 422.750 5.238 0 40 HKAB CC[C@H](NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223100016 VQVJCBUATYWDOE-FCHUYYIVSA-N 402.003 6.357 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1C1CCCCC1 223106099 ZFRKWSCUESFGOK-DHIUTWEWSA-N 408.615 5.694 0 40 HKAB O=C(CSCc1c(F)cccc1Cl)Nc1ccc(Cc2ccncc2)cc1 223456724 LSVOVHAMMVZDNO-UHFFFAOYSA-N 400.906 5.337 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1COc1ccc(C)cc1 224468883 COPSZYTWYUQSEF-UHFFFAOYSA-N 421.493 5.242 0 40 HKAB O=C(NCc1ccccc1CN1CCCCC1)/C(=C/c1ccccc1)c1ccccc1 224807783 UUEGWHNJUFFINY-NHFJDJAPSA-N 410.561 5.530 0 40 HKAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1Cl 225522036 FDYUAXGLTHHYSM-HNNXBMFYSA-N 405.897 5.343 0 40 HKAB Fc1ccc(CSCCCNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 225614727 FBRATBJRMVLBLF-UHFFFAOYSA-N 402.482 5.454 0 40 HKAB COc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c2cccnc12 225680612 ZRBXHGNIJZLSPJ-SFHVURJKSA-N 407.539 5.141 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c2ccccc12 225755031 WWFUGZKEVBLFEV-UHFFFAOYSA-N 417.549 6.478 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccccc2Br)cc1N1C[C@@H](C)C[C@@H](C)C1 226330159 IKIVIPGBMQWIFN-OKILXGFUSA-N 416.363 5.074 0 40 HKAB Cc1nc(C)c(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)s1 257261896 LJFSMPADOJKLJP-MRXNPFEDSA-N 415.946 5.012 0 40 HKAB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]12C 257348734 IHNZLUIZUNADFX-FWHVZYHTSA-N 414.674 7.102 0 40 HKAB S=C(NCCc1ccccc1)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408572211 FPYFUCGBCFEREI-UHFFFAOYSA-N 416.373 6.080 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)cc1 408698977 QOLJECHBODDLTL-UHFFFAOYSA-N 420.875 5.542 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408780113 SKWPGHDBTFYHKI-HSZRJFAPSA-N 422.937 5.367 0 40 HKAB COc1ccc(/C=C2/N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)cc1 408842099 IQUZJEZAGVCUCY-RIYZIHGNSA-N 404.274 5.561 0 40 HKAB CCc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 409082020 OZQUVFCMLYKLGR-UHFFFAOYSA-N 406.570 5.346 0 40 HKAB O=C1S/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)N1c1ccc(Cl)cc1 409190378 XYHHPQOVTRSNFM-GHRIWEEISA-N 402.903 5.554 0 40 HKAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccccc2C(C)C)cc1 409343552 HQYPUBDUASLKEV-UHFFFAOYSA-N 422.550 5.196 0 40 HKAB CCCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC 409355692 DIVIPIIYXMOOSU-CPNJWEJPSA-N 417.914 5.768 0 40 HKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N(c1ccccc1)c1ccccc1 863297 VUHGDQCVWDINLG-UHFFFAOYSA-N 421.909 5.847 0 40 HKAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1ccccc1NC(=O)c1ccc(F)cc1 929804 MMRYWFCNPDYNRU-MRXNPFEDSA-N 420.509 5.148 0 40 HKAB COc1ccc(Oc2coc3cc(OC(=O)c4ccc(Cl)cc4)ccc3c2=O)cc1 945043 DQCUPXCUHSPDRL-UHFFFAOYSA-N 422.820 5.467 0 40 HKAB biogenic O=C(CCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1 1129544 LGFQLVUDQRVTIG-LFIBNONCSA-N 421.305 5.059 0 40 HKAB COc1ccc(OC)c(C(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c23)c1 1377402 JZIMOFSIHFTTMZ-UHFFFAOYSA-N 414.552 5.178 0 40 HKAB COc1ccc(Oc2nc(SCc3ccc(Cl)cc3Cl)ncc2OC)cc1 1388679 HVHCKDALWQCNLA-UHFFFAOYSA-N 423.321 5.885 0 40 HKAB Cc1cccc(-n2ncc(S(=O)(=O)c3ccccc3)c2-c2ccc(Cl)cc2)c1C 1396958 ZVVOLHWGIVHMCU-UHFFFAOYSA-N 422.937 5.642 0 40 HKAB Cc1cc(Oc2coc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc(C)c1Cl 1775121 XGWCGWBULGRKNI-UHFFFAOYSA-N 424.855 6.574 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)c2cccc(COc3ccc(C(C)C)cc3)c2)cc1 2107857 URBFXBKPGCBBSU-FQEVSTJZSA-N 401.550 7.155 0 40 HKAB CCc1ccc(C2(c3ccc(CC)cc3)C[C@@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 2175286 SIXZBAKDNPVUSG-XMMPIXPASA-N 417.980 6.718 0 40 HKAB CCCCNc1nc(SC)nc2c1sc1nc(CCCC)c3c(c12)CCC3 2417180 BJBLWYDCSNUOOS-UHFFFAOYSA-N 400.617 6.005 0 40 HKAB Cc1ccc([C@H]2[C@H](Oc3ccc(Cl)cc3C)C(=O)N2c2ccc(C)c(C)c2)cc1 2758774 LJUFFDDCMJSJNZ-ZEQRLZLVSA-N 405.925 6.109 0 40 HKAB O=C(NCc1ccc(-n2cccn2)cc1)c1cccc(COc2ccccc2Cl)c1 2760396 NFQBYQLEEOMTQI-UHFFFAOYSA-N 417.896 5.035 0 40 HKAB CCN(Cc1ccccc1)C(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 3226530 YCYZATCDEJVIPA-UHFFFAOYSA-N 422.333 5.414 0 40 HKAB Cc1ccc(NC(=O)CSc2cn(Cc3ccccc3Cl)c3ccccc23)cc1 3582037 HETUWGYBDCFOAC-UHFFFAOYSA-N 420.965 6.382 0 40 HKAB Fc1ccc2c(c1)nc(C(F)(F)F)n2C1CCN(Cc2ccc(Cl)cc2)CC1 4396796 PIUNIBXYMLFNCP-UHFFFAOYSA-N 411.830 5.685 0 40 HKAB CC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3c2C1 4660824 DTDATWSAEBNUFM-CQSZACIVSA-N 417.958 6.038 0 40 HKAB CCCCC(=O)N1c2ncnn2[C@H](c2ccc(OC)cc2)C[C@@H]1c1ccc(Cl)cc1 4816793 HWUYGBPNMSIGKG-RTWAWAEBSA-N 424.932 5.198 0 40 HKAB Cc1cc(NC(=O)[C@@H](CC(C)C)NC(=O)C2CCC(C)CC2)ccc1Br 4872474 OBRXYRBVNGMLFJ-GSQSYGFSSA-N 423.395 5.053 0 40 HKAB CCN(CC)CCN(C(=O)/C=C/c1cccs1)c1nc2ccc(Cl)cc2s1 5121889 GROQKLBZGVOENP-CSKARUKUSA-N 420.003 5.399 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 5125178 JGTGSMYDSOXEFR-UHFFFAOYSA-N 405.350 6.667 0 40 HKAB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)o1 5434900 OVCYJWYILNXFJF-QGZVFWFLSA-N 415.518 5.831 0 40 HKAB O=C(COc1ccc2ccccc2c1)Nc1nc(-c2ccc3ccccc3c2)cs1 5446767 JRUFYABFKNEKBW-UHFFFAOYSA-N 410.498 6.134 0 40 HKAB Fc1ccccc1Cc1nnc2n1N=C(c1ccc(-c3ccccc3)cc1)CS2 6475952 KSIAJEVDLAXBGV-UHFFFAOYSA-N 400.482 5.033 0 40 HKAB COc1ccc(CCCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1C 6826015 JLBUTWXSFLUPKO-UHFFFAOYSA-N 417.593 6.433 0 40 HKAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1=O 7881916 BFLAUDSKVKNGGS-FQEVSTJZSA-N 414.505 5.341 0 40 HKAB C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CN2 8143636 XYNPYHXGMWJBLV-ARFBNMCRSA-N 415.662 5.367 0 40 HKAB in-vitro CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc4ccccc4c3)o2)cc1 8280064 QXMWCARVLDRPRK-HNNXBMFYSA-N 419.506 5.408 0 40 HKAB O=C(CN(c1ccccc1)c1n[nH]c(=S)s1)Nc1cccc(Cl)c1Cl 8436106 DATIFSSISLKQRM-UHFFFAOYSA-N 411.339 5.284 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCC(c2nc3ccccc3[nH]2)CC1 8992786 HLQSDUBOOKYOHM-SOFGYWHQSA-N 400.309 5.289 0 40 HKAB Clc1ccc(OCc2n[nH]c(SCc3cc4ccccc4nc3Cl)n2)cc1 9254239 JGGQCGMMKPYATF-UHFFFAOYSA-N 417.321 5.531 0 40 HKAB O=C(CSc1nc2cc(Br)cnc2[nH]1)c1ccc(-c2ccccc2)cc1 9308453 IIHIGEISAKHABA-UHFFFAOYSA-N 424.323 5.362 0 40 HKAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 11667303 HRMAQPSWVZZNBB-QGZVFWFLSA-N 401.510 5.466 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccc(C)cc2)cc1 12193921 NDPODGWHPXUKKL-UPVQGACJSA-N 423.343 6.853 0 40 HKAB O=C(CNc1ccccc1N1CCCCC1)Nc1ccccc1Oc1ccccc1 12568967 KBKQEOLIMIJSPZ-UHFFFAOYSA-N 401.510 5.520 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccc(Cl)cc1F 13005607 MFLWEKHMKSKGME-UHFFFAOYSA-N 419.287 5.370 0 40 HKAB O=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Br)cc1 13301597 WQERDRGIXPQZAV-OAQYLSRUSA-N 420.310 5.832 0 40 HKAB C[C@@H](NC(=O)c1cccc(Cl)c1)c1nc2ccccc2n1Cc1ccccc1F 13646775 AIMNAEMXBSMSHR-OAHLLOKOSA-N 407.876 5.368 0 40 HKAB C[C@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccccc1 14183686 QVMKACNLTBORMR-SPEDKVCISA-N 417.578 5.217 0 40 HKAB COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)Cc2cccs2)cc1 14608007 PJBMMRHTWBQOEF-QFIPXVFZSA-N 403.507 5.035 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)N2CCCCC2)o1 15860416 BLZAUXWBOXADJY-IBGZPJMESA-N 414.933 5.561 0 40 HKAB Cc1nc2ccccc2nc1CN(Cc1nc2ccccc2nc1C)C1CCCCC1 16265156 MSXJHFOMVOHQKL-UHFFFAOYSA-N 411.553 5.525 0 40 HKAB Fc1ccccc1CCNCc1cc(Cl)ccc1OCc1ccccc1Cl 16449532 PKAWYNVZWJUMBR-UHFFFAOYSA-N 404.312 6.044 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4oc(=O)ccc4c3)o2)cc1Cl 17083273 JWFPDROWEILUBC-JXMROGBWSA-N 405.837 5.667 0 40 HKAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1cc(Cl)ccc1Cl 17088391 BYKZKVLODYBHQV-UHFFFAOYSA-N 410.109 5.133 0 40 HKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccccc1OC(F)F 17093761 XHKBVFUGXDVYTK-SOFGYWHQSA-N 424.230 6.507 0 40 HKAB CC(C)c1ccccc1NC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 17206659 MJVDVVWTBJIBCD-UHFFFAOYSA-N 400.548 5.067 0 40 HKAB CC(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2ccc(-c3cccc(F)c3)cc2)C1 19020972 SSOHCRQAKSQKQF-FYYLOGMGSA-N 423.557 5.039 0 40 HKAB Cc1nc([C@@]2(O)CCCN(CC(C)C)CC2)sc1COc1ccc(Cl)cc1 19705257 CLOFPHHYGOOGIK-OAQYLSRUSA-N 408.995 5.013 0 40 HKAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)NC4CCCCCCC4)c(C)c3cc12 20427625 ULJMIIXNSOQSIT-UHFFFAOYSA-N 409.526 5.626 0 40 HKAB O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Cl)c(Cl)c1 20534085 KGMHTBZZHKLCOI-UHFFFAOYSA-N 409.272 5.865 0 40 HKAB Cc1ccc(-c2nnc([C@@H](C)N3CCN(Cc4ccc(C(C)C)cc4)CC3)o2)cc1 22018980 ZRTHQBUJPPVYMO-HXUWFJFHSA-N 404.558 5.047 0 40 HKAB Clc1ccccc1-c1nnc(CN2CCC[C@H](c3nc4ccccc4s3)C2)o1 23967806 MRNCQJYHBFGSAK-AWEZNQCLSA-N 410.930 5.379 0 40 HKAB O=C(CSC12CC3CC(CC(C3)C1)C2)N1N=C(c2ccco2)C[C@@H]1c1ccco1 24213352 KEZOMPDQHHLULS-YLSHDAJPSA-N 410.539 5.252 0 40 HKAB CCCOc1ccc(-c2nonc2NC(=O)c2oc3cc(C)cc(C)c3c2C)cc1 27580519 RGEZWGJOCWWPSX-UHFFFAOYSA-N 405.454 5.449 0 40 HKAB CC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1 28229354 KEWXJJPNXCNSPL-UHFFFAOYSA-N 404.249 5.620 0 40 HKAB c1ccc(CN2COc3ccc4ccc5c(c4c3C2)CN(Cc2ccccc2)CO5)cc1 31666695 MHBIQHGBNITKBD-UHFFFAOYSA-N 422.528 5.544 0 40 HKAB CN(Cc1ccccc1NC(=O)Cc1ccc(OC(F)F)cc1)C1CCCCC1 37143098 OSSGYWKIQMSUQI-UHFFFAOYSA-N 402.485 5.234 0 40 HKAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)c1 39761001 KTNVWZGLOIZHCO-UHFFFAOYSA-N 414.549 5.425 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 39768011 GMZDAGSUTYLILK-UHFFFAOYSA-N 418.512 5.255 0 40 HKAB CC(C)c1ccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC(=O)N4)o2)cc1 40143203 JBZGZGZBUAECQL-UHFFFAOYSA-N 404.466 5.119 0 40 HKAB O=C(CSCc1ccccn1)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 40152595 URTNCMOEBBRTMO-UHFFFAOYSA-N 414.477 5.146 0 40 HKAB Cc1ccccc1[C@@H](NC(=O)COc1ccc(Br)cc1)c1ccccc1 44947450 LEXKTXGBJYZQKK-QFIPXVFZSA-N 410.311 5.042 0 40 HKAB Cc1cccc(-c2nn3c([C@H]4CCCN(C(=O)OC(C)(C)C)C4)ccnc3c2C)c1 57739977 FAVIJFKGDFGMDD-IBGZPJMESA-N 406.530 5.128 0 40 HKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72215224 YJAYISCSPXCHDR-WMZOPIPTSA-N 419.566 5.694 0 40 HKAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4ccc(C(C)C)cc4)c(C)c3s2)n1 72228584 HZMZHZVFNPRVNL-UHFFFAOYSA-N 418.566 6.091 0 40 HKAB O=C(Nc1ccccc1)O[C@@H]1CCC[C@@H](NC(=O)C2(c3cccs3)CCCC2)C1 77200217 URESBQXCFWSOGE-RTBURBONSA-N 412.555 5.236 0 40 HKAB Cc1ncc(CNCC(C)C)c2cc(-c3cc(=O)oc4cc5c(cc34)CCC5)oc12 96116516 IXNKSCXNBLUFNH-UHFFFAOYSA-N 402.494 5.144 0 40 HKAB biogenic COc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)N(C)Cc5cccc(OC)c5)(C4)C2)C3)cc1 100785642 DFRPFAIIEWIRAF-OZMJAHNMSA-N 419.565 5.200 0 40 HKAB CCOc1ccc(/N=c2/ssc3c2-c2cc(Cl)ccc2NC3(C)C)cc1 102437121 WBLNHWKRANMUFX-ZBJSNUHESA-N 402.972 6.422 0 40 HKAB O=C(Nc1ccc(Br)cc1)C1[C@H]2CC[C@@H]3[C@@H](CC[C@H]12)C3(Cl)Cl 102683203 IHGXONDQOAQJQW-IGQOVBAYSA-N 403.147 5.244 0 40 HKAB Fc1cccc([C@H]2C=C(c3cccc(Br)c3)Nc3nc4ccccc4n32)c1 102795072 NEHLCOYSSYCOLE-OAQYLSRUSA-N 420.285 5.994 0 40 HKAB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(Cl)cc3Cl)C2=O)cc1 106781287 NZXHZJLLUKDKPE-YVLHZVERSA-N 408.306 5.417 0 40 HKAB Cn1c(C(=O)Nc2cccc(C(F)(F)F)c2)cc2cc(Oc3ccccc3)ccc21 107881591 LUCZFEMIJDOCSE-UHFFFAOYSA-N 410.395 6.242 0 40 HKAB CC(C)Oc1cccc(CCCNC(=O)c2cccc(OCc3ccccc3)c2)c1 218978479 WUTWIBGHWGOYNQ-UHFFFAOYSA-N 403.522 5.415 0 40 HKAB COc1ccc2cc(S(=O)(=O)N[C@@H](c3ccccc3)c3ccccc3C)ccc2c1 224169659 VZPBAFKNJFSAJL-VWLOTQADSA-N 417.530 5.225 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccccc1OC 224241441 YWDUONQWEKBHMO-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(OCc2ccccc2Cl)cc1 224275399 ZVYFVEVBHBNPNQ-UHFFFAOYSA-N 416.304 5.381 0 40 HKAB CCOc1ccc(C(=O)N(CC)CC)cc1COc1ccc(-c2ccccc2)cc1 224557372 DZXCOVLSGOLDQT-UHFFFAOYSA-N 403.522 5.813 0 40 HKAB CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224937020 PFVOFBJJKNLMAD-UHFFFAOYSA-N 423.159 5.280 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)c2cc(Br)ccc2Cl)c2ccccc2O1 225076994 JLYKRBJPRIXNCH-QGZVFWFLSA-N 422.750 5.915 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225164093 NCHVMQDREANADG-FQEVSTJZSA-N 420.534 5.593 0 40 HKAB O=C(CCc1ccc(Cl)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 225304749 GANNZMOQAJXGIR-UHFFFAOYSA-N 418.968 5.206 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225581597 HOQCKPRCWWIOHH-UHFFFAOYSA-N 422.931 5.997 0 40 HKAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(CSc2ccccc2)cc1 225635552 HYNYAYUOHIGMKB-LJQANCHMSA-N 422.619 6.041 0 40 HKAB COc1ccc(Cl)cc1NC(=O)CCc1nc(-c2cccc3ccccc23)no1 225828990 YZFFIOUHPFPYGD-UHFFFAOYSA-N 407.857 5.123 0 40 HKAB Cc1ccc(NCc2cc(Br)c(O)c(Br)c2)cc1Cl 235866166 RHHAVVFPFUHXTC-UHFFFAOYSA-N 405.517 5.491 0 40 HKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)c(Cl)c2)S1 260778126 RCLDOPKBIPWPQT-CAYVGHNUSA-N 412.921 5.254 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4)ccc3o2)c1 408627830 ODKRBQGGWOGRAM-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 408687237 TYIMDVMCEBETJX-SFHVURJKSA-N 420.468 5.731 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2cccc(C)c2C)c1 408694658 LLEGWWAMKAQMGR-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)nn2-c2ccccc2)cc1 408723904 ADBANVUGXNBIKA-UHFFFAOYSA-N 421.422 6.119 0 40 HKAB Cc1cc(Br)cc(C)c1NC(=O)CSc1cccc2ccccc12 409175652 ABHRODTVZYYZQX-UHFFFAOYSA-N 400.341 5.950 0 40 HKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccccc3Cl)cc2)cc1Cl 409268032 XVLVALWQCDEFOE-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB CCCOc1cccc(-c2nn(-c3ccccc3)cc2CNC(=O)c2ccccc2)c1 606422232 CGDFTPPJKCNVDQ-UHFFFAOYSA-N 411.505 5.258 0 40 HKAB CCc1ccc(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1 1250096 XHNPPIWKJHKESB-UHFFFAOYSA-N 407.857 5.123 0 40 HKAB Cc1sc(NC2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F 1354342 JGDWKQLSUAHKPO-UHFFFAOYSA-N 421.541 5.815 0 40 HKAB O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(Cl)cc1Cl 1518701 DZENKMCTWKTZSX-UHFFFAOYSA-N 417.273 5.476 0 40 HKAB Cc1oc2cc(OC(=O)c3ccc(F)cc3)ccc2c(=O)c1-c1ccc(Cl)cc1 2211101 BFTDTGGCGHTPLA-UHFFFAOYSA-N 408.812 5.780 0 40 HKAB biogenic CCC[C@H]1Cc2c(sc3nc(SCc4ccc(Cl)cc4)nc(N)c23)CO1 2215491 OJKALGXZXFJERP-ZDUSSCGKSA-N 405.976 5.461 0 40 HKAB Cc1cccc(NC(=O)c2sc3nc4c(c(-c5ccc(C)o5)c3c2N)CCCC4)c1 2298442 KSBXJXVLVMJCLT-UHFFFAOYSA-N 417.534 5.886 0 40 HKAB Cc1cc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)ccc1C(C)C 2543411 KMFDRMWNJTXFNF-UHFFFAOYSA-N 403.309 6.641 0 40 HKAB Cc1cccc(OCc2nnc(S[C@H](C)C(=O)c3c(C)[nH]c4ccccc34)o2)c1 3363281 YMDGVSXSIYDZFM-OAHLLOKOSA-N 407.495 5.110 0 40 HKAB CCOc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccc(C)cc2)cc1 3367892 MVHHUJKQBXEGNE-UHFFFAOYSA-N 419.525 6.073 0 40 HKAB Cc1cc(C)c2nc(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)sc2c1 3372591 APVACRVBMGWARO-UHFFFAOYSA-N 416.424 6.444 0 40 HKAB Cc1ccc(Cl)cc1-n1nnnc1[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 4042542 SEGAULMDJBWKMF-FQEVSTJZSA-N 410.308 5.479 0 40 HKAB CC(C)OC(=O)/C(=C\c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1 4601173 SDLQWKGKPVLOJF-CJLVFECKSA-N 412.489 5.054 0 40 HKAB aggregator Cc1ccc(N[C@@H]2C[C@H](C)N(C(=O)c3ccc(Cl)cc3)c3ccc(C)cc32)cc1 4797986 IOWNGZFGTXBYQO-FDDCHVKYSA-N 404.941 6.549 0 40 HKAB Cc1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 4803413 XHPRWTIKVBPOQE-CJLVFECKSA-N 418.562 5.764 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(Oc3ncnc4sc5c(c34)CCC5)c2n1 4883226 PFABKTGOOJYRNH-UHFFFAOYSA-N 402.306 6.136 0 40 HKAB O=C(CSC1=NC2(CCCCC2)N=C1c1ccccc1)Nc1ccc(Cl)cc1 4883317 UDPXZIAZMKWOFD-UHFFFAOYSA-N 411.958 5.574 0 40 HKAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)c1cccc(C(F)(F)F)c1 5099335 QXNOGHNGEQWBKM-UHFFFAOYSA-N 414.383 5.144 0 40 HKAB O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccc(Cl)c(Cl)c1 6038229 LYVNYLSRQLNGAY-UHFFFAOYSA-N 415.276 5.533 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 6212309 BAIMLXHSNUEFOL-UHFFFAOYSA-N 416.546 6.278 0 40 HKAB CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1 6375897 ZVGLVPAHVIBIHU-UHFFFAOYSA-N 402.903 5.188 0 40 HKAB O=c1cc(CSc2nnc(Nc3ccccc3)s2)c2cc3c(cc2o1)CCC3 6831459 YWHUPOFQZDAJKB-UHFFFAOYSA-N 407.520 5.169 0 40 HKAB Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)Nc2ccc(C)c(C)c2)n1 6937620 NQJDQUFCBPCSPX-UHFFFAOYSA-N 419.550 5.298 0 40 HKAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc(Br)s1 7599209 VUGBIMAUEFRUPR-UHFFFAOYSA-N 405.298 5.633 0 40 HKAB CSc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1 7603185 VYAUAJMAACTESU-GDNBJRDFSA-N 404.900 5.330 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2)cc1C 7881827 POIHZAGURKAPNY-LJQANCHMSA-N 400.478 5.087 0 40 HKAB CCc1cccc2c(/C=C3\SC(=O)N(Cc4ccc(F)cc4Cl)C3=O)c[nH]c12 8088007 PZELZPTURRWCSL-LSCVHKIXSA-N 414.889 5.759 0 40 HKAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(Br)cc2)S1 8277510 NJOWLDPDLHKBDB-OQLLNIDSSA-N 407.720 5.303 0 40 HKAB COc1ccccc1-c1nc(C)c(-c2ccc(SCc3ccc(C)cc3)nn2)s1 8875893 XTFNVXBVNCRMDU-UHFFFAOYSA-N 419.575 6.185 0 40 HKAB CC(=O)[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccccc1 9113176 YGLUNDAMKLBTOP-FQEVSTJZSA-N 411.958 6.136 0 40 HKAB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1ccc(Cl)cc1Cl 9198090 BPMRGKBUFPTUNM-UHFFFAOYSA-N 413.717 5.163 0 40 HKAB Cc1cccc(/N=c2\oc3c(Cl)cc(Cl)cc3cc2-c2nc3ccccc3[nH]2)c1 9246332 DKMBIBLDQNZJEM-RWEWTDSWSA-N 420.299 6.824 0 40 HKAB COc1ccc(NC(=O)Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1 9523636 SWCFLTADVKMTPB-UHFFFAOYSA-N 404.897 5.533 0 40 HKAB CC(C)[C@@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1)c1cccs1 9614173 CQFPVJJGEOMSHW-JOCHJYFZSA-N 416.550 5.182 0 40 HKAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 11612284 CWVBPMKCELIABZ-RVKKMQEKSA-N 405.369 5.440 0 40 HKAB O=C1Nc2ccccc2/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 12469479 IEPQENMABCSGCU-SXGWCWSVSA-N 414.263 6.204 0 40 HKAB Cc1sc2ncnc(N[C@H](C)C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)c2c1C 12928632 OZFUCPJNBOTYEH-NWDGAFQWSA-N 422.476 5.005 0 40 HKAB Cn1c(-c2ccccc2)c([C@@H]2c3ccccc3C(=O)N2C[C@@H]2CCCO2)c2ccccc21 13942406 XXIOKGIROTXMJU-DCFHFQCYSA-N 422.528 5.570 0 40 HKAB O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccc(Cl)s1 14239179 JIXKILUVOXSPNV-ZDUSSCGKSA-N 404.944 5.338 0 40 HKAB O=C(Nc1ccccc1OC(F)(F)F)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14857504 SMYAPWHGUKISQA-UHFFFAOYSA-N 419.378 5.041 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 15881148 MNWAGBOMDCAHMR-UHFFFAOYSA-N 417.505 5.630 0 40 HKAB CC(C)(C)C(=O)Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 17093469 FEPIUUAOFQMIAC-UHFFFAOYSA-N 423.310 6.395 0 40 HKAB CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2cc(C)cc(C)c2)CC1=O 21524548 OFNOQGZIYIKKMI-OAQYLSRUSA-N 419.569 5.238 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N2CCC(C)CC2)o1 21659822 MDHKAMBEFPDWCR-NRFANRHFSA-N 408.542 5.462 0 40 HKAB COc1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c(OC)cc1Cl 22374911 KDAFOTGHBCLOBT-UHFFFAOYSA-N 419.868 5.220 0 40 HKAB O=C(NCc1ccccc1Cn1ccnc1)c1ccccc1SCc1cccs1 29207103 SMRIGLHXQMGYAP-UHFFFAOYSA-N 419.575 5.215 0 40 HKAB O=C(C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)N1CCCc2ccccc21 30946792 HBAXXFKNMPIEHO-UHFFFAOYSA-N 403.353 5.185 0 40 HKAB CCCCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2cccnc12 32622576 FSWVBAMMUWHRBT-UHFFFAOYSA-N 421.884 5.974 0 40 HKAB COc1ccc([C@@H]2CCCN2C(=O)c2sc(Cc3ccccc3)nc2C)cc1OC 32936503 QLUBECHEWHTMNI-IBGZPJMESA-N 422.550 5.037 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 33665792 QZPSTNGSQLNUGY-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB O=C(Nc1nnc(SCc2ccccc2)s1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 40140434 BCVOWEPXYUZUIC-CHWSQXEVSA-N 401.479 5.138 0 40 HKAB Cc1c(C(=O)Nc2ccc(CN3[C@@H](C)CCC[C@@H]3C)cc2)n[nH]c1-c1cccs1 57775353 DLNGSMQFSBACTF-HOTGVXAUSA-N 408.571 5.462 0 40 HKAB O=C(c1cnc2ccc(F)cc2c1Nc1ccccc1Br)N1CCCC1 64471987 ZNMWRDJBXSSODY-UHFFFAOYSA-N 414.278 5.116 0 40 HKAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc1Cl 67297055 NGLJUWZVQMNFIN-LCUIJRPUSA-N 402.881 6.188 0 40 HKAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCCCC[C@H]2c2ccco2)cc1 72290776 IERBRIWJGHDIKD-SFHVURJKSA-N 410.543 5.043 0 40 HKAB O=C(Cc1ccc(O)cc1)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72349682 SAMIHGGBNDBCBV-LJQANCHMSA-N 406.913 5.056 0 40 HKAB c1cnc(-c2nc(N[C@H](c3nccs3)C3CC3)c3c4c(sc3n2)CCCC4)cn1 78903342 VMHZJBFWJVFGBG-KRWDZBQOSA-N 420.567 5.047 0 40 HKAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C4C5CC6CC(C5)CC4C6)[C@@H]3C2=O)cc1Cl 100837733 YOOCZIRJOZWOJF-HZEAEFSASA-N 419.952 5.323 0 40 HKAB O=C1/C(=C/Nc2ccc(Cl)cn2)c2ccccc2C(=O)N1c1ccccc1Cl 103004674 GIRHXJCCTVWNRB-FOWTUZBSSA-N 410.260 5.028 0 40 HKAB OC(c1ccccc1)(c1ccccc1)[C@@H]1/C(=C\c2ccccc2)[C@@H]1Cc1ccccc1 104095588 FLLRDUYIVVAICX-ICVNALTISA-N 402.537 6.495 0 40 HKAB O=C1S/C(=C/c2ccc(O)c(Cl)c2)C(=O)N1Cc1c(Cl)cccc1Cl 214705027 UEGCOOMQTPGHOS-VIZOYTHASA-N 414.697 5.589 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1cccc3ccccc13)CC(C)(C)O2 219046151 ORKRXZOEBGACAX-IERDGZPVSA-N 405.494 5.034 0 40 HKAB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1Cc1ccccc1 222611166 XUEQYDRPRPVQGM-IMRHEYAYSA-N 402.567 5.138 0 40 HKAB CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 223921940 URKBOMAWRGMIAR-UHFFFAOYSA-N 408.523 5.082 0 40 HKAB Cc1nc(NC(=S)NCC2(c3ccccc3)CCCCC2)c(Cl)cc1Cl 223990618 QWSVAORLTIWDRJ-UHFFFAOYSA-N 408.398 5.885 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2ccccc2C)c1 224104150 RSOIYQFFKXHEAJ-UHFFFAOYSA-N 403.522 5.960 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccc(Cl)cc1 224163017 FQAGDENKYKERMT-UHFFFAOYSA-N 413.926 5.902 0 40 HKAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc(Cl)c(C)c1 224209918 ACCYHLOKVMXUNK-UHFFFAOYSA-N 421.924 5.435 0 40 HKAB COc1ccc(C(=O)Nc2c(C)cccc2C)cc1CSc1ccc(Cl)cc1 224346807 DVAQAOVHAXINRI-UHFFFAOYSA-N 411.954 6.510 0 40 HKAB Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)cc1 224360498 JKSCAGYGEXOTPL-RLWLMLJZSA-N 401.550 6.100 0 40 HKAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C 224896209 HJYRBYWUHCMCRZ-VXKWHMMOSA-N 408.546 5.144 0 40 HKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225022255 UTDUZXFATDPHBI-GOTSBHOMSA-N 402.567 5.096 0 40 HKAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)Cc1ccc(Cl)cc1F 225074052 SGOANDFGLSHJPZ-UHFFFAOYSA-N 415.896 5.028 0 40 HKAB CC(=O)c1cccc(NC(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)c1 225339477 BBJZGBFMZYWGEE-UHFFFAOYSA-N 413.502 5.256 0 40 HKAB COc1cccc(-c2ccc(C(=O)NCc3cncc(-c4cccs4)c3)cc2)c1 225664891 PUEMYHYYBWSOOE-UHFFFAOYSA-N 400.503 5.416 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)COc2cccc(C(F)(F)F)c2)c2ccccc2O1 225809019 MIQWNIRTHWOYQZ-GOSISDBHSA-N 407.432 5.283 0 40 HKAB CC(C)(C)OC(=O)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3ccsc3)n2)C1 257201698 AIPUVPSTXMKJSZ-MRXNPFEDSA-N 422.554 5.673 0 40 HKAB C[C@@H]1O[C@@H]2c3cc(C(=O)O)ccc3OC(C)(C)[C@H]2C[C@H]1c1ccc(Cl)c(Cl)c1 257212449 CDLJGCRVBSLFEJ-NRPWOKLWSA-N 421.320 6.113 0 40 HKAB CC(C)c1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)on1 257299901 RSCPVVAAQLTMBJ-INIZCTEOSA-N 413.905 5.050 0 40 HKAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)C3CCCC3)CC2)on1 257318879 VPUKUULOWNCTDL-IYARVYRRSA-N 424.589 5.318 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccccc2C)c1 408694611 KUNVALZGWYNBKU-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)cc3)n2)cc1 408695494 QVLMKHCDYYDQNP-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB COc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(Cl)ccc3C)n2)c1 408696788 BVPHGXLFBKSNPN-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB CCCCOc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)c2ccccc12 408987571 FTUFWTTUTCZUTN-UHFFFAOYSA-N 418.562 6.665 0 40 HKAB O=S1(=O)c2ccccc2N[C@H](c2c(Cl)cccc2Cl)N1Cc1ccccc1 409135328 ULBLJWFMVZFJLF-FQEVSTJZSA-N 419.333 5.309 0 40 HKAB O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1Cc1cccc(Br)c1 409152666 FYIIEBQQASOPRZ-OQLLNIDSSA-N 408.704 5.339 0 40 HKAB Cc1cc(C(=O)N2N=C3CC[C@H](C(C)(C)C)C[C@H]3[C@@]2(O)C(F)(F)F)ccc1Cl 409181844 FWDQYUPAZGEPHW-IQUTYRLHSA-N 416.871 5.174 0 40 HKAB CCc1cccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)c1 649053 KIDGMHDYWOCXGM-UHFFFAOYSA-N 406.436 5.457 0 40 HKAB CCc1ccccc1NC(=O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 826988 MKRJZKBRYLGQAI-UHFFFAOYSA-N 416.428 5.291 0 40 HKAB COc1ccc([C@H]2SCCN2C(=O)c2c(-c3ccccc3Cl)noc2C)cc1 1102293 KUBZOHHIRTYTHH-OAQYLSRUSA-N 414.914 5.200 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)c(C)c1 1267348 CDNJXVVMMXOREM-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB Oc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(Br)cc2)c(O)c1 1278561 ABGCGXCLZZXCOT-UHFFFAOYSA-N 400.150 5.201 0 40 HKAB CC(=O)N1N=C(c2ccccc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 1301108 QJIPBIMAAKUCHD-VWLOTQADSA-N 406.489 5.237 0 40 HKAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(F)c2)cc1 1380185 RMSHHJDAEVKLSJ-HSZRJFAPSA-N 420.484 5.174 0 40 HKAB CN(C)c1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1 1773027 YEOOAMRMUZHOKD-UHFFFAOYSA-N 409.320 6.413 0 40 HKAB CC(C)Oc1ccc([C@H](CCN[C@@H](C)c2ccc(Cl)cc2)c2ccccc2)cc1 1818141 FSUDPOHGCXEWQQ-RXFWQSSRSA-N 407.985 7.000 0 40 HKAB biogenic Brc1ccc(-c2nc(Nc3ccccc3)cc(-c3ccccc3)n2)cc1 2049937 RSWURJAORJNDCG-UHFFFAOYSA-N 402.295 6.317 0 40 HKAB O=c1c(Cl)c(SC(c2ccccc2)c2ccccc2)cnn1-c1ccccc1 2183684 KBNLPORAILKSNP-UHFFFAOYSA-N 404.922 5.768 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cc(C)ccc2Cl)cc1 2232013 HEIZIUCUBNGEIF-UHFFFAOYSA-N 420.896 5.113 0 40 HKAB O=C1Nc2cc(Cl)ccc2/C1=C/c1cn(Cc2ccccc2)nc1-c1cccnc1 2725787 QLTFXMBVRMSGIC-NHDPSOOVSA-N 412.880 5.140 0 40 HKAB CCCCCCSc1nnc2c(n1)O[C@H](/C=C/c1ccco1)Nc1ccccc1-2 3772512 IPOYLCFYDPZNOI-JXOMPUQVSA-N 408.527 5.648 0 40 HKAB COc1ccc(CN(CC[C@]2(c3ccc(C)cc3)CCO[C@H](C(C)C)C2)C(C)=O)cc1 4043628 JGXOSEIPYHFJEJ-SVBPBHIXSA-N 423.597 5.515 0 40 HKAB biogenic CCOc1ccc(-c2nc(Cl)c3c(C[C@H](C)CC)c(C)sc3n2)cc1OC 4204700 KHZYOKOAXKIQQE-GFCCVEGCSA-N 404.963 6.316 0 40 HKAB Cn1c(-c2ccccc2)c([C@@H]2c3ccccc3C(=O)N2Cc2ccco2)c2ccccc21 4747649 LCBMGERLIWXPJU-MHZLTWQESA-N 418.496 6.184 0 40 HKAB C[C@@]1(Br)C(=O)CC[C@H]2[C@@H]1CC[C@@]1(C)[C@@H](OC(=O)c3ccccc3)CC[C@@H]21 5275937 HKZMXCLHDQFECZ-YYQLRVACSA-N 419.359 5.171 0 40 HKAB O=C(COc1cccc(Cl)c1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 5700504 XWQNIZPMQCOJIV-IBGZPJMESA-N 415.276 5.343 0 40 HKAB O=C(C[C@@H](CSc1ccccc1)C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1 6116142 JXAGDPXECXQWBC-IBGZPJMESA-N 410.922 6.073 0 40 HKAB in-vitro O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc(Cl)ccc1Cl 6144272 IMTIZQFUIHJRHA-UHFFFAOYSA-N 424.334 5.170 0 40 HKAB Cc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 6477648 LTTZXWCPDDCHER-XMMPIXPASA-N 409.485 5.198 0 40 HKAB Cc1c(CC(=O)Nc2cccnc2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 6672286 NNOYQKRGSVXLMO-UHFFFAOYSA-N 404.466 5.030 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1 7073086 LNDANBKMSQKNBV-MRXNPFEDSA-N 401.466 5.421 0 40 HKAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCc4ccccc4F)cc3)ccc12 7141120 QIFGCTNEOTVCMB-UHFFFAOYSA-N 418.420 5.177 0 40 HKAB COc1cc(Nc2ncnc3scc(-c4ccc(F)cc4)c23)cc(OC)c1OC 8146888 XLXZOCQQLAAQFH-UHFFFAOYSA-N 411.458 5.267 0 40 HKAB Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=S)c(C)c1 8410547 LIPAMOROAAEIPJ-UHFFFAOYSA-N 414.534 5.326 0 40 HKAB O=C(c1ccc(Cl)cc1)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccccc1Cl 8453251 HFNXRFAUFNJACL-OFNKIYASSA-N 421.327 6.157 0 40 HKAB CCCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 9426276 FEECBEXPRTXYAY-DEOSSOPVSA-N 400.909 6.444 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)CCc1ccc(C(C)(C)C)cc1 10326125 UFTFLDGVGORMHB-UHFFFAOYSA-N 417.618 7.156 0 40 HKAB CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(Cl)s4)n3)oc12 10749665 QMHDHVPJEBGCFE-UHFFFAOYSA-N 404.900 5.922 0 40 HKAB COc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3cccs3)C[C@@H]21 12196863 FPNIYRJNWXBKMF-PGRDOPGGSA-N 408.548 5.721 0 40 HKAB O=C(OCc1ccc(Br)cc1)c1cc(-c2ccncc2)nc2ccccc12 12620053 QQKKDAJUZRLQBR-UHFFFAOYSA-N 419.278 5.416 0 40 HKAB C[C@@H](NC(=O)COc1ccc(Oc2ccccn2)cc1)c1ccc(Cl)c(Cl)c1 12742022 WJDNVPCLMSXYKI-CQSZACIVSA-N 417.292 5.437 0 40 HKAB Cc1cc(C)c(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c(C)c1 12820829 KYDFSOQXPIMNFG-UHFFFAOYSA-N 416.344 5.134 0 40 HKAB CC(C)(C)c1ccc(Oc2cc(Br)c(Cl)c(Br)c2)cc1 13015850 YQJWSXNLTNCDLU-UHFFFAOYSA-N 418.556 6.955 0 40 HKAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 13631145 KRSZWPKSTIILIW-QGZVFWFLSA-N 422.912 5.317 0 40 HKAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(Oc3ccccc3)cc2)s1 15840215 KYKWKNKEAGEBMK-UHFFFAOYSA-N 406.532 6.154 0 40 HKAB C[C@H]1C[C@@H](C)CN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C1 16712833 CCCAKUMDNMGWBG-HDICACEKSA-N 416.956 6.223 0 40 HKAB CC(C)c1ccc(NC(=O)CCc2csc(NC(=O)Nc3ccccc3)n2)cc1 16848979 JWBZTXROASWTGU-UHFFFAOYSA-N 408.527 5.482 0 40 HKAB Cc1ccc(CNc2nc(Nc3ccc(F)cc3)c3cnn(-c4ccccc4)c3n2)cc1 17041646 NGXLOMLNAJTTKN-UHFFFAOYSA-N 424.483 5.619 0 40 HKAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3Cc3cccnc3)cc2N1 19083331 VCRMFRYYASZRSD-GBESFXJTSA-N 421.511 5.339 0 40 HKAB Clc1ccc(N2C(c3ccccc3)=N[C@@H](N3CCCCC3)[C@@H]2N2CCCCC2)cc1 19327830 RCNKSSYHYNGAHW-LOSJGSFVSA-N 423.004 5.231 0 40 HKAB Cc1cccc(Cc2ccc([C@H]3CCCN(C(=O)c4c(C(C)C)noc4C)C3)nc2)c1 19690368 KJQREPDUBXLRGJ-QFIPXVFZSA-N 417.553 5.420 0 40 HKAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)C2CCCC2)n1 19694445 QFKJBQMIGCTDAO-FQEVSTJZSA-N 412.965 5.107 0 40 HKAB Cc1ccc(C)c(N2CCN([C@@H](c3ccccc3)c3nnc(-c4ccccc4)o3)CC2)c1 20178219 NSJLZOXQOTUFIH-VWLOTQADSA-N 424.548 5.265 0 40 HKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc(OC(C)C)c3)sc2c1 20411445 CXJGEXLLCUNXKZ-UHFFFAOYSA-N 412.511 5.293 0 40 HKAB CCCOc1cccc([C@@H]2C(C(=O)OCC)=C(CCC)Nc3nc4ccccc4n32)c1 20672394 ZQUQHFMETGJDDN-HSZRJFAPSA-N 419.525 5.457 0 40 HKAB COc1cc2ncc3c(-c4ccccc4)nn(-c4ccc(Cl)cc4)c3c2cc1OC 21017677 FGIBYBHXKMOYJR-UHFFFAOYSA-N 415.880 5.911 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c1 21578553 LOGMRCRKWVNEEZ-UHFFFAOYSA-N 416.477 5.690 0 40 HKAB CCCc1nc2ccc(NS(=O)(=O)c3ccc(OCC)c(Cl)c3)cc2s1 22255209 IKDDGZWQWHGFQK-UHFFFAOYSA-N 410.948 5.102 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(Nc2ncccn2)c1 24864212 IVGSPAQOPHIJIT-UHFFFAOYSA-N 406.449 5.016 0 40 HKAB O=C(Oc1ccc2cc(Br)ccc2c1)N(c1ccccc1)c1ccccc1 28051412 JHOWALJLVGITEN-UHFFFAOYSA-N 418.290 6.939 0 40 HKAB Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@H](c1ccc(F)cc1F)CC(O)=N2 32089290 RQXFOYWBVSRVNA-ZDUSSCGKSA-N 416.424 5.850 0 40 HKAB O=C(NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1)c1cccc(Cl)c1 32127875 OGSKKIFZMGXSRJ-UHFFFAOYSA-N 416.742 5.383 0 40 HKAB CCCOc1ccc(NC(=O)c2oc3cc(C)c(Cl)cc3c2C)c2cccnc12 32624393 FZJYIFNEAITYSN-UHFFFAOYSA-N 408.885 6.292 0 40 HKAB O=C(CCCc1nc2ccccc2s1)N1CCc2sccc2[C@@H]1c1cccs1 32781466 NGELUNJBDZFEMG-JOCHJYFZSA-N 424.616 5.916 0 40 HKAB CCOc1ccccc1/C=C1\SC(=O)N(CNc2cccc(C(F)(F)F)c2)C1=O 33348754 JAOFFAWTTMHEAY-YVLHZVERSA-N 422.428 5.210 0 40 HKAB Cc1cccc(NC(=O)c2ccccc2SC[C@H]2CCCN3CCCC[C@@H]23)c1C 33435707 USTZOLMUDCRMRV-OFNKIYASSA-N 408.611 5.912 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@H](c1cccs1)N1CCOCC1 40096364 GSKGZOHREYWREZ-HXUWFJFHSA-N 415.603 5.190 0 40 HKAB Cc1cccc(NC(=O)CSc2ccc(-c3nc(-c4ccccc4)no3)cn2)c1C 49405469 VNUFLCRPNZOAIR-UHFFFAOYSA-N 416.506 5.146 0 40 HKAB Cc1cccc(C)c1NC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 57487238 GAMHLRCSLMZDJX-UHFFFAOYSA-N 406.873 5.114 0 40 HKAB Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCc1cccs1 58196598 UZGKDXFSVHLJAN-UHFFFAOYSA-N 408.907 5.093 0 40 HKAB Cc1occc1-c1nnc2sc(-c3ccc(-c4cccc(C(F)(F)F)c4)o3)nn12 67192554 IGORQHJCJHYTOO-UHFFFAOYSA-N 416.384 5.700 0 40 HKAB Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1cccc(Cl)c1F 67297013 IIDOIJMRPUSIRJ-VYIQYICTSA-N 406.844 6.018 0 40 HKAB O=C(Nc1cccc2ccccc12)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 69902517 VTXBBVUCQHWOCI-UHFFFAOYSA-N 415.802 5.950 0 40 HKAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2C(=O)CCc2ccccc2)n1 72376910 CODFBEYUMQMPOL-NRFANRHFSA-N 420.944 5.066 0 40 HKAB CCC(=O)N1CCCN(Cc2ccc(-c3nc4cccc(Cl)c4s3)cc2)CC1 79016425 MKRAPDMFYZFDMA-UHFFFAOYSA-N 413.974 5.061 0 40 HKAB Cc1ccc(C(C)C)c(OCc2nn3c(-c4cc5ccccc5o4)nnc3s2)c1 96193925 LNEFRXCILZEKBP-UHFFFAOYSA-N 404.495 5.610 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 222941500 OPZSTDOBWRVBFP-NRFANRHFSA-N 421.541 5.159 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 223659335 XMHSVHFOGHYMQU-OAQYLSRUSA-N 403.950 5.299 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccccc1C 224383917 HCXCSOKOBSTWGG-LEYFIJQKSA-N 418.562 5.403 0 40 HKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cccc(Cl)c1 224526018 QRSGEZTZSXZPAY-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc(Cl)c(C)c1 224540995 ZFTOGKILBRDTJT-UHFFFAOYSA-N 423.940 5.599 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccccc1C(C)C 224564955 YHMXHISLNZNWOY-UHFFFAOYSA-N 407.485 6.179 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccc(OC)cc1 224603575 IARWXWYZPCIKJV-UHFFFAOYSA-N 423.534 5.647 0 40 HKAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc(C)c(C)c1 224625183 JGDQEEKWNUTBIJ-UHFFFAOYSA-N 415.533 5.480 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCc3ccccc3)c2)cc1 225279873 MJWVAWSKVQKJND-UHFFFAOYSA-N 402.563 5.702 0 40 HKAB CCCCN1N[C@@](Cc2ccccc2)(c2ccc(-c3ccccc3)cc2)NC1=S 225351301 ITOOUKKULSPYDK-VWLOTQADSA-N 401.579 5.244 0 40 HKAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(C(C)C)cc4)cs3)C(=O)[C@H]12 225690076 MOPVZCFMGRPAIT-USNOLKROSA-N 406.551 5.415 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225749900 UDSSAGQUWUAAQZ-OFVILXPXSA-N 418.622 5.644 0 40 HKAB Cc1cc(Br)cc(C)c1NC(=O)c1cc2cc3ccccc3nc2s1 226095712 ADRUETXNDOQRRX-UHFFFAOYSA-N 411.324 6.081 0 40 HKAB C[C@H]1[C@@H]2[C@H]3OC[C@]1(COC(=O)Nc1ccccc1)[C@H](C)C[C@@]2(C)Oc1ccccc13 229971911 UONFBIWUOHBYQS-FRVFUCQYSA-N 407.510 5.436 0 40 HKAB biogenic COc1cc(CN(Cc2ccccc2)Cc2ccccc2CO)ccc1OC(C)C 257279904 OIQGUNRYCWMKES-UHFFFAOYSA-N 405.538 5.177 0 40 HKAB CCC[C@H]1O[C@H]2c3cc(OCc4ccccc4)ccc3OC(C)(C)[C@@H]2C[C@H]1C(=O)O 257337063 YRFPRLGEOHTCSI-FQOCKNPQSA-N 410.510 5.384 0 40 HKAB Fc1cccc(Cl)c1COc1ccc(C(=S)NCc2ccc(Cl)cc2)cc1 408577151 RLZOHQZOJUWOTA-UHFFFAOYSA-N 420.336 6.177 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 408694978 NFJYNISNTZCRJX-UHFFFAOYSA-N 409.276 5.493 0 40 HKAB Cc1ccccc1NC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2C)n1 408728074 ZOZADEAWPINPJZ-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB N=C1NC(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)S1 408890507 UWOYXVMYCWNMEX-AUWJEWJLSA-N 413.713 5.364 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1Cl 409016701 VLOQRJKHLWFKKA-GEYIUBJWSA-N 415.942 6.062 0 40 HKAB Cc1cccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)c1C 409112094 BVKJERBASJKKQW-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB CCc1ccccc1NCc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 409114954 FRWWDDQNOCRDJV-UHFFFAOYSA-N 404.312 6.886 0 40 HKAB CCc1cccc2c(/C=C3\SC(=O)N(C(C)C)C3=O)cn(Cc3ccccc3)c12 409129375 FXUIZVOTGCPRQB-BKUYFWCQSA-N 404.535 5.697 0 40 HKAB CCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Br)c(C)c3)o2)C1=O 409145891 RDBQKOPUNMRCFO-BOPFTXTBSA-N 420.328 5.854 0 40 HKAB O=C(Oc1ccc(-c2ccccc2)cc1)c1ccc(Cn2nnc3ccccc32)cc1 409175731 BFYISGFZUMZZRB-UHFFFAOYSA-N 405.457 5.366 0 40 HKAB C[C@]1(NC(=O)Cc2ccccc2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccccc2)C1 1848357496 CHORYKWMMFKLGE-RMTZWNOUSA-N 419.952 6.050 0 40 HKAB Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccccc2)N3)cc1C 865320 CVNBCEPIXGGLGB-HKUYNNGSSA-N 414.431 5.413 0 40 HKAB CCOC(=O)CCSc1ncnc2scc(-c3ccc(Br)cc3)c12 937906 WORSCHSIBIWXNC-UHFFFAOYSA-N 423.357 5.166 0 40 HKAB O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@H]1c1ccc2c(c1)OCO2 1302358 YNEPSCIAIXPKHY-FQEVSTJZSA-N 404.853 5.060 0 40 HKAB CC(C)=CCC/C(C)=C/COc1cc2c(C(=O)O)c(C)oc2cc1Br 1774252 YMJQHFZWGRYSNK-MDWZMJQESA-N 407.304 6.273 0 40 HKAB biogenic O=C(Nc1cc(C(F)(F)F)ccc1OCCOc1ccccc1)c1ccccc1 1797115 SQTFQHUCLFHFEC-UHFFFAOYSA-N 401.384 5.416 0 40 HKAB Cc1ccc(OCc2nc3ccccc3n2CCCOc2ccc(Cl)cc2)cc1 1837523 IXMHTBHBQFRJOF-UHFFFAOYSA-N 406.913 6.046 0 40 HKAB CCCc1ccc(OC(=O)c2ccc(C(=O)Oc3ccc(CCC)cc3)cc2)cc1 1837755 CXIWDCYTMLHYPP-UHFFFAOYSA-N 402.490 6.030 0 40 HKAB C[C@@H]1CCCCN1C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2082219 QCZRUHUBGULBFL-OAHLLOKOSA-N 409.327 5.679 0 40 HKAB Cc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 2093884 GGMNVNHCWKUUES-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB CC(=O)c1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1 2234907 MIDCTIMGNCMVMV-UHFFFAOYSA-N 420.516 6.136 0 40 HKAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(C(F)(F)F)c2)cc1 2251905 CRAOMXKTBFMLSQ-UHFFFAOYSA-N 420.394 5.663 0 40 HKAB Cc1ccc(C(=O)[C@@H](Sc2nnc(-c3cccs3)o2)c2ccc(C)cc2)cc1 2627182 UJTUKLAOICMEMI-FQEVSTJZSA-N 406.532 6.131 0 40 HKAB Cc1c(-c2ccc(F)cc2)nn(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(F)cc1 2733543 DTOOMGQFUSTIFF-UHFFFAOYSA-N 415.270 7.100 0 40 HKAB O=C(Nc1ccc(Sc2ccc(NC(=O)c3ccccc3)cc2)cc1)c1ccccc1 3084518 AKAAXIZBQZGOHB-UHFFFAOYSA-N 424.525 6.342 0 40 HKAB COc1cnc(SCc2ccc(Cl)cc2)nc1Oc1ccc(C(C)(C)C)cc1 3128592 HJHSQZJQXHLQHM-UHFFFAOYSA-N 414.958 6.521 0 40 HKAB O=C(COc1cc(Cl)c(Cl)cc1Cl)OCc1ccc(Br)cc1 3233160 MUNBKBXDQBSBQB-UHFFFAOYSA-N 424.505 5.532 0 40 HKAB O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccccc1Br 4072059 BIOSMLCMHMJCJU-UHFFFAOYSA-N 418.360 5.021 0 40 HKAB COc1ccc(CN(CC[C@]2(CCC(C)C)CCO[C@H](C(C)C)C2)C(C)=O)cc1 4073174 MUPWDPMVVFJZEV-LOSJGSFVSA-N 403.607 5.691 0 40 HKAB biogenic Cc1cccc(-n2nc3c(c2NC(=O)CC24CC5CC(CC(C5)C2)C4)CSC3)c1 4079159 YUEIXBFLCCNFHR-UHFFFAOYSA-N 407.583 5.473 0 40 HKAB CCCCc1ccc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1 4089789 IMPUSUOOPOALBR-UHFFFAOYSA-N 411.354 5.471 0 40 HKAB Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3=O)cc2)c1 4514955 XOJMJVWDKKIYTI-SZQRREJASA-N 401.506 5.612 0 40 HKAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OCc4ccccc4)cc2)N3)C1 4556171 UVSBQYXFATVMHN-QFIPXVFZSA-N 419.550 5.134 0 40 HKAB COc1ccc(C)cc1NC(=O)Cc1csc2nc(-c3ccc(Cl)cc3)cn12 5146535 YYYGEJGCPPHVMG-UHFFFAOYSA-N 411.914 5.214 0 40 HKAB COc1cc(/C=C\C(=O)Oc2ccccc2)ccc1C(=O)O/C=C\c1ccccc1 5882962 KWKVWLLCZGKCMZ-OWEHUKMGSA-N 400.430 5.142 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Br)cc2)cc1Br 5904608 JPVFGRYJPIXCIF-UHFFFAOYSA-N 411.137 5.761 0 40 HKAB Cc1c(C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)cnn1C 6527539 LYHZWLYLNHNOQO-GRBDRPDISA-N 410.521 5.165 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C 6781423 HFLWDBZKMDDNEW-UHFFFAOYSA-N 409.898 5.581 0 40 HKAB O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)c1cccs1 7985431 DBCVUSMWZXSCIU-UHFFFAOYSA-N 401.532 5.626 0 40 HKAB Cc1ccc(C)n1N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)cc1 8475545 QTKLGUPVOBNTEM-UHFFFAOYSA-N 407.728 6.044 0 40 HKAB O=C(CCc1ccco1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 8705735 KRMWDCAEGKQJNK-UHFFFAOYSA-N 402.372 5.122 0 40 HKAB O=C(OC1CCCCC1)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 8904035 DGXRENBHIBCAFG-UHFFFAOYSA-N 413.342 5.124 0 40 HKAB Cc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2)c(C)c1 9250029 GOWKCXHTHDRUJC-UHFFFAOYSA-N 419.550 5.298 0 40 HKAB Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)c2ccc(Cl)cc2)c1 9250135 AMXNFFRIERRBNI-UHFFFAOYSA-N 424.953 5.888 0 40 HKAB Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)cc2)cc1 9354929 LSTOWCDAAQKJAV-UHFFFAOYSA-N 419.257 5.537 0 40 HKAB Clc1c(-c2nnc(SCc3nc4ccccc4s3)o2)sc2ccccc12 9635209 ZYQNNDZZAUEXDG-UHFFFAOYSA-N 415.952 6.507 0 40 HKAB CSc1ccc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1 12039775 YKALZMHYYYIOFR-UHFFFAOYSA-N 404.535 5.053 0 40 HKAB CC(C)c1csc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)n1 12567877 VDDYMAYKFMOUKB-UHFFFAOYSA-N 408.552 5.492 0 40 HKAB CCCc1noc([C@H](C)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)n1 12896140 FRWZWBBZEYNPHO-HNNXBMFYSA-N 403.511 5.394 0 40 HKAB Clc1ccc(OCc2nc3ccccc3n2C/C=C/c2ccccc2)c(Cl)c1 13017757 AKDHPSMKSUORSR-RMKNXTFCSA-N 409.316 6.636 0 40 HKAB C[C@H](NC(=O)c1ccccc1Nc1ccccc1)c1nc2ccccc2n1C(F)F 15544348 ARTXHEZZSMKHPB-HNNXBMFYSA-N 406.436 5.666 0 40 HKAB CC(C)Sc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 15880253 OMWLDBJVASLDGB-UHFFFAOYSA-N 423.607 5.454 0 40 HKAB COc1ccc([C@H]2C[C@@]23CCC[C@]2(C[C@@H]2c2ccc(OC)cc2OC)C3=O)c(OC)c1 15885481 NLWKUVKXSDFLCE-ZEZQGNGESA-N 422.521 5.122 0 40 HKAB biogenic Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccc(C)s4)cc3)sc2c1 15910698 HAJICYRERXJDBW-UHFFFAOYSA-N 422.531 5.437 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1Cl 16692390 ZKXIQFZSUDRQES-UHFFFAOYSA-N 422.937 6.576 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)Cc1ccccc1 17091187 JOFUEILKBZHVGU-UHFFFAOYSA-N 417.559 5.327 0 40 HKAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 20105580 WUXJYTGVHQRIHV-ASXFNGKXSA-N 409.957 6.214 0 40 HKAB CC(C)C[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 22516350 LGKPNGXMBPOISF-HHHXNRCGSA-N 412.577 5.762 0 40 HKAB CC1CCN(c2ccc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)cc2)CC1 32125051 CUEZDVDHUBYPTH-UHFFFAOYSA-N 422.381 5.357 0 40 HKAB Cc1ccc(Cc2cnc(NC(=O)c3oc4c(c3C)C(=O)CCC4)s2)cc1Cl 32915838 SZKZEJOKYFIIDD-UHFFFAOYSA-N 414.914 5.368 0 40 HKAB Cc1ccc(-c2nn(CC(=O)Nc3ccccc3)c(-c3ccc(C)cc3)c2Cl)cc1 36611608 YIPDWJSXJKNEDD-UHFFFAOYSA-N 415.924 6.126 0 40 HKAB O=c1c2ccccc2c(-c2cccs2)nn1Cc1csc(-c2ccc(F)cc2)n1 48304153 PSERMELYXLKTIE-UHFFFAOYSA-N 419.506 5.436 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c(C)c1 58059004 GHQFGAUOMOQYJK-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 63450829 FQILBTQFDRGJRW-UHFFFAOYSA-N 422.843 6.062 0 40 HKAB CCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)c3cccc(OC)c3)cc12 65033946 JLTRNYLMHVTVNR-UHFFFAOYSA-N 416.452 5.701 0 40 HKAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 72214967 IUMZVCNXUXNRNG-QFIPXVFZSA-N 409.574 5.960 0 40 HKAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)CCn4cccc4)C3)c(-c3ccncc3)c2c1 72396851 CTDQTRJLOHCYHU-NRFANRHFSA-N 412.537 5.136 0 40 HKAB COc1cccc(-c2nc(CN3CC=C(c4c[nH]c5ccccc45)CC3)cs2)c1 89471382 AEHTXNFBSLREGT-UHFFFAOYSA-N 401.535 5.589 0 40 HKAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@@]2(CCCN2Cc2ccccc2Cl)C1 96214561 WXZDHUDJEOSWAH-HSZRJFAPSA-N 417.380 5.193 0 40 HKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C[C@H]3C=CCC3)CC2)n1 100739117 JQYNDBPUWAMTQW-JAXLGGSGSA-N 418.585 5.408 0 40 HKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 106689694 KCTUIDHHLPDBOW-MOSHPQCFSA-N 415.486 5.250 0 40 HKAB C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 118912467 GMBQZIIUCVWOCD-RUCADAOXSA-N 416.646 5.794 0 40 HKAB COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)c2ccccc12 214135863 KENZIPKQFZRTIY-UDWIEESQSA-N 409.894 5.738 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 219031230 PJEPZMRBACQFQZ-OPAMFIHVSA-N 405.494 5.034 0 40 HKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc3ccccc3c2)S1 222628596 MNZMNIMDYLRJHC-VEYWIMSWSA-N 410.546 5.615 0 40 HKAB CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OC 222661341 PLWZYKJNRRUCJQ-ZMYBRWDISA-N 417.962 5.122 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cnn(-c2ccccc2)c1 224054203 KQXNNTLTEJNJLX-UHFFFAOYSA-N 401.853 5.009 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 224219624 GICHSTNSALIDDC-DNQXCXABSA-N 416.594 5.874 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1COC(C)C 224721700 WOPFXODFUKOMHZ-UHFFFAOYSA-N 415.839 5.935 0 40 HKAB CCCCN1N[C@](Cc2ccccc2)(c2ccc(-c3ccccc3)cc2)NC1=S 225351340 ITOOUKKULSPYDK-RUZDIDTESA-N 401.579 5.244 0 40 HKAB Cc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)cc1Cl 225364380 GCKUMEUECPPYHW-UHFFFAOYSA-N 419.830 6.175 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)/C(=C/c2ccccc2)c2ccccc2)c2ccccc2O1 225450000 HSEVPWDDIDWLPR-FLXPQLCOSA-N 411.545 6.426 0 40 HKAB COc1ccc(CCCNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225556851 WJNBDCYSRSUTAV-UHFFFAOYSA-N 413.768 5.030 0 40 HKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)ccc1OCC(C)C 225580738 LJYSXXOZARAZIG-UHFFFAOYSA-N 401.934 5.370 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 225679917 DNIZNJIVINPFLK-IBGZPJMESA-N 423.582 5.019 0 40 HKAB Cc1cc(NC(=S)NCCCc2ccc(C(C)C)cc2)ccc1Br 225806631 IIRRXDMLBMBKOS-UHFFFAOYSA-N 405.405 5.800 0 40 HKAB Cc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 226756098 SWBWVNFSHSESIJ-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C[C@@H]3C=CCC3)CC2)n1 257251481 JQYNDBPUWAMTQW-KCZVDYSFSA-N 418.585 5.408 0 40 HKAB CCOc1cc(C(=O)Nc2ccccc2C)cc(Cl)c1OCc1ccc(C)cc1 408555097 VMKAOOVRAOIAOI-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB Cc1cc(Br)ccc1NCc1ccccc1OCc1ccc(Cl)cc1 408612518 RYVYLCIQNWVZED-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2cccc(C)c2C)c1 408694530 KBSSVWRBFHSCMO-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2cccc(F)c2)nc1-c1ccc(Cl)cc1 408699706 YQJXYNNSAHAOAD-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB O=C1OC(c2ccc(F)cc2)=N/C1=C/c1cccc(OCc2ccccc2Cl)c1 409072920 WJWDCJUJESYCKR-FYJGNVAPSA-N 407.828 5.403 0 40 HKAB Cc1ccc(S(=O)(=O)Oc2ccccc2CNc2cccc(Cl)c2C)cc1 409113952 HVSNHPKWFIQDQB-UHFFFAOYSA-N 401.915 5.337 0 40 HKAB CCc1ccccc1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 409114814 LIJTZOLEKWZCRT-UHFFFAOYSA-N 420.767 7.400 0 40 HKAB CCCCCN1C(=O)S/C(=C\c2cc(Cl)cc(Br)c2OC)C1=O 409208726 CVKFIDJMTQPIJW-JYRVWZFOSA-N 418.740 5.338 0 40 HKAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc(Oc2ccccc2)cc1)CC3 524731977 RLFRUABSDJBVHT-UHFFFAOYSA-N 413.477 5.559 0 40 HKAB biogenic O=C(CSc1ccc2ccccc2n1)N1CCC(c2noc3ccc(F)cc23)CC1 631384 OPYZYAQYGUFMMP-UHFFFAOYSA-N 421.497 5.013 0 40 HKAB O=C(CSc1nc2ccccc2n1Cc1ccccc1)Nc1ccccc1Cl 645146 JDVCNPHLMDRSEI-UHFFFAOYSA-N 407.926 5.469 0 40 HKAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1C(F)(F)F)OCO3 929873 AMYZMSDFPGCRHG-UHFFFAOYSA-N 420.412 5.022 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)cc1 991964 NSGCOZZBRWKXIB-UHFFFAOYSA-N 418.312 5.351 0 40 HKAB COc1ccc(NC(=S)N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(F)cc2)cc1 1016869 HWZNWLOLHUVZQU-JOCHJYFZSA-N 423.488 5.522 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(Br)cc1 1311806 ZKPWMNWZBQQLSP-UHFFFAOYSA-N 413.237 5.320 0 40 HKAB CC(C)c1nc2sc3c(c2c2nnc(SCc4ccccn4)n12)CC[C@@H](C)C3 1376567 IQDBZMCBQPOKBS-CYBMUJFWSA-N 409.584 5.275 0 40 HKAB COc1ccc(NC(=O)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C2CCCC2)cc1 1378336 AUSBBWIJQCAQAU-UHFFFAOYSA-N 419.525 5.130 0 40 HKAB CC(C)(C)c1cc(C(C)(C)C)c2oc3c(C(C)(C)C)cc(C(C)(C)C)c(O)c3c2c1 2272276 KIOBKCWAQFZNHH-UHFFFAOYSA-N 408.626 8.482 0 40 HKAB COc1ccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)cc1OC 2647436 AZGQVPGIMIVGPK-UHFFFAOYSA-N 403.434 5.281 0 40 HKAB CC(C)(C)c1ccccc1NC(=O)CCN1C(=O)S/C(=C\c2cccs2)C1=O 3364334 DTBNJHMDHMPOGD-LGMDPLHJSA-N 414.552 5.111 0 40 HKAB Cc1ccccc1NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 3525701 VEQDYIYWRQJOBS-UHFFFAOYSA-N 408.504 5.129 0 40 HKAB Cc1ccc([C@@]2(CC(=O)NCc3ccc(OC(C)C)cc3)CCO[C@H](C(C)C)C2)cc1 4044782 VCSJWHQCEMLEMY-BDYUSTAISA-N 423.597 5.562 0 40 HKAB biogenic O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 4195742 PEVYGONEWHRGKI-IZZDOVSWSA-N 409.272 6.454 0 40 HKAB O=C(c1ccccc1)[C@H]([C@H](c1ccccc1)[C@H]1CNc2ccccc2C1)N1CCCCC1 4522744 GUZQFFCTFIRWPU-KZQOYIJHSA-N 424.588 5.792 0 40 HKAB O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1ccc(Cl)c(Cl)c1 4592152 KCKGBWZRFNOPNK-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C[C@@H](C)CC3 4735765 DALOPPRTBIUXMW-HNNXBMFYSA-N 411.567 5.964 0 40 HKAB Cc1ccc(-c2n[nH]c3c2[C@H](c2cccc(F)c2)N(c2ccc(F)cc2)C3=O)cc1 4870914 YGPZMEPVHQSGGQ-QHCPKHFHSA-N 401.416 5.413 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)o2)cc1 4906110 KTGHOTOOIZBAGA-UHFFFAOYSA-N 417.534 5.918 0 40 HKAB Cc1cc(O)cc2c1O[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CC2 5273916 GZIFEOYASATJEH-BERHBOFZSA-N 402.663 8.223 0 40 HKAB biogenic,in-vitro CN1c2ccccc2C[C@@H](C(=O)Nc2cccc(Br)c2)c2ccccc21 5334781 NMUNLGFLEQQUSB-LJQANCHMSA-N 407.311 5.495 0 40 HKAB COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)c1 5869242 DOVXNTXGZVFYRF-QHCPKHFHSA-N 417.505 5.530 0 40 HKAB Cc1ccc(S(C)(=O)=O)cc1C(=O)Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6053749 BERKGFPOFOPLTG-UHFFFAOYSA-N 424.562 5.086 0 40 HKAB CCOc1ccc(N/C=C2/C(=O)N(c3ccc(CC)cc3)C(=O)c3ccccc32)cc1 6496994 UYEQPFQMWYVCFW-JJIBRWJFSA-N 412.489 5.288 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)CCNC(=O)c3ccccc3Cl)cc2)cc1 6997697 CSPVLAVNDQRELE-UHFFFAOYSA-N 408.885 5.199 0 40 HKAB CCC(=O)N(c1nnc(SCc2csc(-c3ccc(C)cc3)n2)s1)C1CC1 7672983 OGXRQDLPHUYMBH-UHFFFAOYSA-N 416.597 5.168 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)cc2)c1 7882544 JXEQFXPZZHXDNI-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccccc2)c2ccccc12 8187177 JARVVBSOVXKYMH-QGZVFWFLSA-N 411.530 5.367 0 40 HKAB Cc1n[nH]c(C)c1CCC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 8343665 RLQMMLGJXMJVRL-FQEVSTJZSA-N 420.944 5.042 0 40 HKAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c(C)c1 8452513 FPSNDVZDLMCOEU-UHFFFAOYSA-N 423.310 5.571 0 40 HKAB COc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 8534230 BZJFSRPLRXCFKI-INIZCTEOSA-N 416.348 6.432 0 40 HKAB O=C(Nc1ccccc1)OCc1cccnc1Sc1ccc(Br)cc1 8781970 PPCUYRAWBDFIBM-UHFFFAOYSA-N 415.312 5.744 0 40 HKAB COc1cccc(-n2c(/C=C/c3ccc(Cl)cc3Cl)nc3ccccc3c2=O)c1 8914293 DQIXOXDZZVHYRG-ZRDIBKRKSA-N 423.299 5.872 0 40 HKAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1cccc(OCCC(C)C)c1 12062885 QGWPGYVYOOAYOT-QHCPKHFHSA-N 419.521 5.482 0 40 HKAB Cc1ccc(OCc2nc(CC(=O)Nc3ccccc3N3CCCCC3)cs2)cc1 12549426 GAPUUAGETJHLKD-UHFFFAOYSA-N 421.566 5.202 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](Nc2ccc(N3CCCCC3)cc2)c2ccccc2)c1 12567031 STHLDUVYGRGXED-SANMLTNESA-N 413.565 6.086 0 40 HKAB CC(=O)N(c1nnc(S[C@@H](c2ccccc2)c2ccc(Cl)cc2)s1)C1CC1 12975530 XGZPDTBIXGHFHM-SFHVURJKSA-N 415.971 5.589 0 40 HKAB C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)-c1ccccc1C2 12985943 ZQAMSCMJKJSYPG-HNNXBMFYSA-N 420.509 5.096 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1ccc(F)cc1F)CC2 13003757 KWZZZJKKYQZDSR-QHCPKHFHSA-N 424.447 5.162 0 40 HKAB CCOC(C(=O)Nc1c(C(C)C)cccc1C(C)C)(c1ccccc1)c1ccccc1 13060515 MXNLIUDMTGIETM-UHFFFAOYSA-N 415.577 6.852 0 40 HKAB COc1ccc(OCCCOC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1 13146069 HESHTEMGOMNTSG-UHFFFAOYSA-N 422.506 5.030 0 40 HKAB O=C(NCCSCc1ccccc1F)c1ccc(CSc2ccccc2)cc1 13675068 ZFHNIEARMXJCOJ-UHFFFAOYSA-N 411.567 5.781 0 40 HKAB Cc1c(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)sc2ccccc12 14227792 HEPOGINTQJBQKJ-UHFFFAOYSA-N 406.536 5.173 0 40 HKAB COc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4cccc(OC)c4)oc3c2)cc1 15729370 GJNHZDKYKFCDBE-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB biogenic O=C(Nc1ccccc1N1CCCC1=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 16105717 MVDYSVDSUFOOSU-UHFFFAOYSA-N 414.383 5.345 0 40 HKAB CCOC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757549 URJGHJVOQZZKCW-MRXNPFEDSA-N 403.507 5.131 0 40 HKAB Cc1ccc(S[C@H]2CSc3nc(=O)c4ccccc4n3[C@H]2c2ccccc2)cc1 16779203 YQXXHWROHMBPHM-VXKWHMMOSA-N 416.571 5.561 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4C)ccc3o2)c1 17090352 ZKIXTPWXOCKZCG-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB CC1CCN(Cc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)CC1 20481259 ZDLHVIHYEUNVIF-UHFFFAOYSA-N 412.577 5.761 0 40 HKAB Cc1cccc(-c2nc(CSc3nc4ccccc4n4c(C)nnc34)c(C)o2)c1 21658052 SADJXFLWRGRSTF-UHFFFAOYSA-N 401.495 5.150 0 40 HKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1cccc(Br)c1 22237716 MWYHONWCSNTQAW-UHFFFAOYSA-N 402.317 5.234 0 40 HKAB CCCc1noc([C@H](C)Sc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)n1 24865045 BNDOOHWNXHLCLZ-HNNXBMFYSA-N 421.526 5.132 0 40 HKAB CCOc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)c1 27584027 SRUMEJUGIYORLC-QFIPXVFZSA-N 400.950 5.086 0 40 HKAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(COc2cccc(Cl)c2Cl)o1 27984789 OPCZGZNUOVILSW-UHFFFAOYSA-N 406.221 5.146 0 40 HKAB Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1C 33050717 GFUOHSIVKOCAMF-UHFFFAOYSA-N 401.535 5.432 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 38755970 BQIDQMWPDYWMAZ-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB Cc1c(Cl)cccc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38849631 MNJXYWOITPJUIR-UHFFFAOYSA-N 411.760 5.806 0 40 HKAB Cc1cc(-n2c(C)cc(C(=O)Nc3ccccc3CN(C)C3CCCCC3)c2C)no1 40080110 NQCRFYNCXPCTTD-UHFFFAOYSA-N 420.557 5.407 0 40 HKAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)/C=C/c1ccccc1Br 40106756 HLQYKAIFFHHYSV-PKNBQFBNSA-N 401.304 5.004 0 40 HKAB Cc1ccc2c(Nc3ccc(Cl)c(F)c3)c(C(=O)N3CCC(C)CC3)cnc2n1 49005501 KWEOVAYPIASOJR-UHFFFAOYSA-N 412.896 5.346 0 40 HKAB CCc1ccc(-c2noc(-c3nn(-c4ccc(C)c(C)c4)c(=O)c4ccccc34)n2)cc1 64950045 DQTAVGFGOOGCID-UHFFFAOYSA-N 422.488 5.282 0 40 HKAB CC(C)c1cc(C(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)on1 72309936 QBOGZTUNCWTQPM-UHFFFAOYSA-N 412.877 5.025 0 40 HKAB COc1cccc(-c2cccc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)c1 72349027 RFEXLKHBXRCGDS-QFIPXVFZSA-N 400.522 5.096 0 40 HKAB O=C(O)CCCCCCCCCNC(=O)OCC1c2ccccc2-c2ccccc21 82101572 VRQUPGNWTJGCBX-UHFFFAOYSA-N 409.526 5.731 0 40 HKAB in-vitro CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(Cc2ccccc2Cl)C1=O 106682650 YGFHSAHOEBOLBX-YVLHZVERSA-N 408.306 5.629 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC 106707781 VGUXHYHYSWRCNR-JHDSZEHQSA-N 411.523 5.417 0 40 HKAB CCOc1cc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OC 107602482 JQCUKMQICDFNCF-UHFFFAOYSA-N 424.880 5.454 0 40 HKAB CC[C@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc(OC)c(OC)c1 218988046 UVPZZAOXHAZEJM-NRFANRHFSA-N 405.494 5.164 0 40 HKAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 218991304 LSDZVXPIMMCQET-SFHVURJKSA-N 409.913 5.425 0 40 HKAB COC(=O)c1ccc(C)c(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 219763570 PEHMZTVPFBQIBJ-UHFFFAOYSA-N 409.869 5.266 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c2ccccc2O1 222729210 HQUSVEPVBNAZSB-HSZRJFAPSA-N 424.560 5.237 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccc(Cl)cc1 224498485 JBWQZXLHDPIGEJ-UHFFFAOYSA-N 423.940 6.693 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1cccc(OC)c1 224586640 RUNLBFIVWFSEIY-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1cccc(OC)c1 224587273 YRPJRMZEFUNSPY-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB O=Cc1cn(C(=O)c2ccc(-c3ccc(Br)cc3F)o2)c2ccccc12 226769306 GGMBLDDZEPUGRA-UHFFFAOYSA-N 412.214 5.304 0 40 HKAB COC(=O)c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 247826852 JLLPDASOZOGZIE-QGCVXUCCSA-N 402.321 6.077 0 40 HKAB COc1cccc(C(=O)N2CCC[C@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)c1 257212008 CBNIDCZBCXRGEQ-FQEVSTJZSA-N 404.485 5.225 0 40 HKAB COc1cc(C(=S)NCc2ccccc2C)cc(Cl)c1OCc1ccccc1 408572357 GKHCQMMDOHKLFI-UHFFFAOYSA-N 411.954 5.701 0 40 HKAB COc1c(C)cccc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 408624017 WLEHVNXVHKNKJB-UHFFFAOYSA-N 400.434 5.254 0 40 HKAB O=C(Nc1ccccc1F)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 408697365 GRTIINYANWHADC-UHFFFAOYSA-N 410.811 5.118 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2cccc(C)c2)cc1 408697905 MNCMPTMFZSZUNQ-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccc(Cl)cc2)c1 408698235 MNOHXQKJZPRAFK-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB COc1cccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c1O 408808708 NANSQRITAZRGOU-LWWHVIEISA-N 423.558 5.455 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OC 409130422 HTAVPVBNSVGEGC-OOWUWCJESA-N 403.544 5.489 0 40 HKAB O=C(Nc1cccc(F)c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409174390 RURSYWKDLUPLCQ-PWLKQHPYSA-N 412.508 6.375 0 40 HKAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1 409247613 DQYULSOOIISFKO-XDHOZWIPSA-N 424.909 5.486 0 40 HKAB O=C(c1c(Cl)cccc1Cl)N1NN=N[C@H]1c1ncc(C(F)(F)F)cc1Cl 1500981030 UOZYDBCDNVEVMH-GFCCVEGCSA-N 424.597 5.087 0 40 HKAB CCOC(=O)c1cccc(/N=c2\cc(-c3ccc(OC)cc3)oc3ccc(O)cc23)c1 645747 KKSAMMJJBNIENM-XTCLZLMSSA-N 415.445 5.223 0 40 HKAB CC(C)(C)c1ccc(C(=O)N/C(=C/c2cccs2)C(=O)Nc2ccc(F)cc2)cc1 851228 GXHULBUPAPIFRG-RCCKNPSSSA-N 422.525 5.594 0 40 HKAB Cc1cc(Br)cc2c(C(=O)Nc3ccccc3)cc(-c3cccs3)nc12 993388 IIJXUHTVLPGDAI-UHFFFAOYSA-N 423.335 6.287 0 40 HKAB COc1cc(C)ccc1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 1248152 RJIWRMXVRMTZRI-UHFFFAOYSA-N 420.896 5.113 0 40 HKAB COc1ccc(/N=c2\cc(-c3ccc(OC)c(OC)c3)oc3ccccc23)c(OC)c1 1322602 KUUOQSCDYXMSJW-LHLOQNFPSA-N 417.461 5.367 0 40 HKAB biogenic Cc1ccc(C(=O)N(Cc2ccccc2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 1366561 POUDFVVWYUADNJ-UHFFFAOYSA-N 410.517 5.296 0 40 HKAB Cc1cc(C)c(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c(Cl)c1 1405837 ACOXAWSPFHKXTA-UHFFFAOYSA-N 421.884 5.486 0 40 HKAB CC1=C(C(=O)Nc2cc(C)cc(C)c2)[C@@H](c2c(Cl)cccc2Cl)NC(=S)N1 1425539 PVYPKPRWJCYSPC-SFHVURJKSA-N 420.365 5.042 0 40 HKAB COc1ccc(-c2c/c(=N\c3ccc(Br)cc3)c3cc(C)ccc3o2)cc1 1912140 KUMAFKSQIWFHGK-NJNXFGOHSA-N 420.306 6.412 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)cc1 2056932 WIRMYZVXCIBCJZ-UHFFFAOYSA-N 420.965 7.167 0 40 HKAB COc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 2079784 AHHYDNXNEWGWQT-UHFFFAOYSA-N 416.908 6.433 0 40 HKAB CC(C)CCOC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 2246744 VFWRJHFXLUWEFS-UHFFFAOYSA-N 406.530 5.260 0 40 HKAB Fc1ccccc1/N=c1\scc(-c2ccc(OC(F)F)cc2)n1C1CCCCC1 2638643 KDZWYKSKPZACBN-ROMGYVFFSA-N 418.484 6.695 0 40 HKAB O=C(Nc1nc(-c2ccc(F)cc2F)cs1)C1c2ccccc2Oc2ccccc21 2754068 JOTROAABIXJNRB-UHFFFAOYSA-N 420.440 5.965 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)cc1 2769586 JQKYIBYLIOYTPW-LJQANCHMSA-N 410.517 6.100 0 40 HKAB Cc1ccc(C)c(NCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1 2887725 NWABXZVAFSXTMD-UHFFFAOYSA-N 419.472 5.420 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)cc2C)cc1 3075039 HMVLFGAHWQXAKN-UHFFFAOYSA-N 418.522 5.099 0 40 HKAB COc1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(OC)c1 3107723 BORZYJDERKAKHG-UHFFFAOYSA-N 416.502 5.747 0 40 HKAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 3190474 QDZHVDJQQFUSJT-PAHSPFOQSA-N 415.492 5.411 0 40 HKAB biogenic Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C(=O)NC1CCCCCC1 3355553 SQSIEDZQQCPZBD-UHFFFAOYSA-N 414.764 5.653 0 40 HKAB Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3ccccc3)o2)cc1 3468782 AZXVEVOTIWEADP-UHFFFAOYSA-N 404.491 5.095 0 40 HKAB COc1ccc(-c2c(C)c3cc(OCc4ccc(F)cc4)ccc3oc2=O)cc1OC 4340811 AYOIQMFYGAFMKO-UHFFFAOYSA-N 420.436 5.504 0 40 HKAB biogenic Cc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(C)c(Cl)c4)c3c2c1 4970201 AIJNAIQVIMFURE-UHFFFAOYSA-N 401.872 6.650 0 40 HKAB CC(C)(C)c1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3)n2)cc1 5193419 ZQXVVAODOZETGZ-UHFFFAOYSA-N 400.931 5.779 0 40 HKAB COc1ccc2sc(N(Cc3ccccn3)C(=O)/C=C/c3cccs3)nc2c1 5264993 GFRWBZRJXMGVAD-CSKARUKUSA-N 407.520 5.008 0 40 HKAB CCCCCOc1ccc(C(=O)OCC(=O)c2ccc(Br)s2)cc1 6050969 MGXYLRLUWZDXLQ-UHFFFAOYSA-N 411.317 5.119 0 40 HKAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 6111330 TZZZQWHOPMVDIY-IWERZKIRSA-N 421.912 5.242 0 40 HKAB O=C(CSCc1cccc(Cl)c1)NCCSCc1cccc(Cl)c1 6505718 FAPKRZBYXMWOIH-UHFFFAOYSA-N 400.396 5.276 0 40 HKAB O=C(Cc1ccc(F)cc1)NCCSc1c(-c2ccccc2)[nH]c2ccccc12 6530225 PEOUVYMEKUQEGW-UHFFFAOYSA-N 404.510 5.425 0 40 HKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 6587890 AJCOJNIDPWQPOB-QANKJYHBSA-N 401.330 5.083 0 40 HKAB CCOc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccccc32)cc1OCC 6601887 DPGYQEMJDOSOIM-UHFFFAOYSA-N 419.912 5.571 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2c(C)n(C)c4ccccc24)N3)C1 6709532 ZLRQUDPTRBTIHB-NYHFZMIOSA-N 421.610 6.518 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 6924739 OFRKPTGVZYKVDB-RUDMXATFSA-N 419.333 5.701 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1 6982701 PGVMHVLTGCAKJB-DUXKGJEZSA-N 404.522 5.185 0 40 HKAB COc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)S2)cc1 7275652 GAFQYMVDYWVSHU-UNOMPAQXSA-N 410.882 5.691 0 40 HKAB Cc1cccc(Cn2c([C@H]3CC(=O)N(c4ccc(C)cc4C)C3)nc3ccccc32)c1 7543833 AEGICKICKMXKBR-QFIPXVFZSA-N 409.533 5.530 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc(Cl)s1)CC2 7979648 HPNKCZCMHQWIEP-NRFANRHFSA-N 413.926 5.207 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)cc1C 8041592 WMKLKPLCPCKDTR-HNNXBMFYSA-N 412.382 5.427 0 40 HKAB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1C 8321247 BYMBSKUWOAYHLR-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB COc1ccc(-c2c(-c3ccc(OCc4ccccc4F)cc3O)n[nH]c2C)cc1 8994399 JMRSCASWKYCMND-UHFFFAOYSA-N 404.441 5.484 0 40 HKAB Cc1ccc2c(c1)-c1nc(SCc3ccccc3)[nH]c(=O)c1C1(CCCCC1)C2 9046851 QLFSIONEZUDWSH-UHFFFAOYSA-N 402.563 5.796 0 40 HKAB Clc1cccc(-n2nc(-c3ccccc3)c3cnc4c(Cl)cc(Cl)cc4c32)c1 9675908 GXMYZVAXKANCPV-UHFFFAOYSA-N 424.718 7.201 0 40 HKAB Cc1ccccc1CSc1nnc([C@H](C)N2CCCCC2)n1-c1ccc(F)cc1 11416376 MZHYHAKIVVTEJH-SFHVURJKSA-N 410.562 5.554 0 40 HKAB CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(F)cc4)=NN23)cc1 12196733 ZYEVJCTXJALKPZ-RDGATRHJSA-N 418.468 5.475 0 40 HKAB CCOc1ccc/c(=N\C2CCCCC2)c2c(C)n(-c3cccc(OC)c3)c(C)c12 12436728 DVDGBADYEXAXDG-SLEBQGDGSA-N 404.554 5.888 0 40 HKAB biogenic Cc1coc2cc3oc(=O)c(CCC(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)c(C)c3cc12 12897916 XCLMNFANGATWRU-WGDIFIGCSA-N 421.537 5.516 0 40 HKAB CCc1ccc(N(C(C)=O)c2nc(CN3CCC[C@H]3c3cccn3C)cs2)cc1 12943054 ABEHGBWNABLXFP-QFIPXVFZSA-N 408.571 5.066 0 40 HKAB COc1cc(C(=O)OCc2nc(-c3ccccc3)oc2C)cc(Cl)c1OC(C)C 14845626 URABMYBEOWBMND-UHFFFAOYSA-N 415.873 5.456 0 40 HKAB C[C@H](Oc1ccccc1Br)C(=O)Nc1ccc(SC(F)F)cc1 15394726 BFMKPCYHHNHHAA-JTQLQIEISA-N 402.260 5.170 0 40 HKAB Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)N[C@@H]3CCCc4ccccc43)s2)cc1 16046125 VRMASUUEEIVOSZ-HNAYVOBHSA-N 424.595 5.265 0 40 HKAB O=C(CCc1cccs1)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 18824052 QISVYEZVCPUSSU-IBGZPJMESA-N 408.954 5.764 0 40 HKAB COc1cccc(CC(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)c1 19564331 OGICQJJKLPIYRF-JOCHJYFZSA-N 408.473 5.176 0 40 HKAB COc1ccc(-c2nc(CC(=O)Nc3cccc(-c4csc(C)n4)c3)cs2)cc1 19603363 SBKCBEDTSFCAKY-UHFFFAOYSA-N 421.547 5.432 0 40 HKAB CC(=O)c1ccccc1NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 22475300 BGCOKTTYDYIXFP-UHFFFAOYSA-N 404.413 5.592 0 40 HKAB CC(C)(C)c1ccc(OCc2nnc(SCC(=O)c3ccc(Cl)cc3)o2)cc1 27526510 WFEDHRIPRYFSAU-UHFFFAOYSA-N 416.930 5.575 0 40 HKAB O=C(Nc1nc(-c2cccnc2)cs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 29253230 AMUWIFNZXKOHNY-UHFFFAOYSA-N 417.334 5.495 0 40 HKAB Cc1ccc(SC[C@H]2CSc3nc(=O)c4c5c(sc4n32)CCCC5)cc1 32594516 LPBBXMFNTIMQRD-ZDUSSCGKSA-N 400.594 5.084 0 40 HKAB O=C(Nc1ncc(Cc2ccccc2)s1)c1cc(-c2ccccn2)nc2ccccc12 36636115 WXSZABZABXPPQA-UHFFFAOYSA-N 422.513 5.596 0 40 HKAB Cc1ccc2oc(-c3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3)nc2c1 41091584 NNKMRODDVFNSBJ-UHFFFAOYSA-N 414.505 6.118 0 40 HKAB COc1ccc(-c2cnc(SCc3ccccc3)n2-c2ccc(Cl)cc2)cc1 44087543 SRKFQCFHBRMHNL-UHFFFAOYSA-N 406.938 6.494 0 40 HKAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@@H](c3ccc(C(C)C)cc3)N1CC2 57731879 NWQZVYPITFSCOZ-KAYWLYCHSA-N 414.549 5.899 0 40 HKAB Cc1ccc(C(=O)[C@H](Sc2nnc(N3CCCC3)s2)c2ccc(C)cc2)cc1 64656357 KYZXCHSFENYTTO-HXUWFJFHSA-N 409.580 5.471 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2SC(C)(C)C)cc1 72217460 IBHDTFPBCAUHPQ-IBGZPJMESA-N 404.601 5.197 0 40 HKAB CC(=O)N1CCCCC[C@H]1Cc1c(C(=O)N2CCC(C)CC2)sc2ccccc12 72370815 ZISLVFXGJBYPEP-IBGZPJMESA-N 412.599 5.107 0 40 HKAB O=C(c1cccnc1Cl)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 84357577 FSDNODVMSGPZCU-KYLMHTFMSA-N 407.857 5.358 0 40 HKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@@H](O)CC1=CC3)C(C)C 87493031 ODKQKCINTCFCGY-QYHPSCTCSA-N 412.702 8.089 0 40 HKAB biogenic Cc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 100082392 CZXVQJVCWMCNKX-VLHNATBGSA-N 417.508 5.419 0 40 HKAB COc1cccc(CN(C)C(=O)C23C[C@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)c1OC 103534448 WLAMHTYXBXUGCC-LNXYEHLSSA-N 419.565 5.200 0 40 HKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 106741862 LXJCOYJEEGEHAS-WQRHYEAKSA-N 405.878 5.504 0 40 HKAB O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)N1CCC[C@@H]1c1ccccc1Cl 107338022 GOACAJGQFVZKIH-NJDAHSKKSA-N 402.897 5.246 0 40 HKAB CC1CCN(C(=S)c2ccc(OCc3cccc(F)c3)c(Br)c2)CC1 108011560 BTEOKUQPXNDPJD-UHFFFAOYSA-N 422.363 5.575 0 40 HKAB CC/N=C1\S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1CC 109596512 FSSUWOJRXZKBMC-DNLCFCFBSA-N 400.931 5.231 0 40 HKAB C[C@@H](CO)CC[C@H]1O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@H]1C 118936385 MKUPQRXIRRPHDV-OGHDWJBXSA-N 418.662 5.428 0 40 HKAB Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223089245 BOGOPVSGHBAVES-BJKOFHAPSA-N 416.594 5.486 0 40 HKAB CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc2O1 223154436 VOQTYRLTGAZKMF-GCJKJVERSA-N 409.570 5.950 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 224968748 GCNAMAUYXGALNA-UHFFFAOYSA-N 411.977 5.181 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225108852 HEAWLWRLXJLSJV-INIZCTEOSA-N 406.960 5.246 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1 225257351 FXBSFBRYLJBOPM-UHFFFAOYSA-N 405.457 6.275 0 40 HKAB Cc1ccccc1[C@@H](NC(=S)Nc1cccc(Br)c1)c1ccccc1 225503095 DZQJREHJJRSGTM-FQEVSTJZSA-N 411.368 5.834 0 40 HKAB NC(=O)c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)o1 226302838 PHRIIGAWYCPZOG-UHFFFAOYSA-N 400.316 5.276 0 40 HKAB CC(C)CCC[C@H](C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 245239619 LDPPQIQFKNQQLH-CASVCPBFSA-N 416.646 6.453 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)cc1 408561719 KLKDYJFLRRMBRV-UHFFFAOYSA-N 420.456 6.260 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2ccc(F)c(C)c2)cc1OCC 408624954 WFEFMZMTVUNMOD-UHFFFAOYSA-N 410.283 5.336 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)c(Cl)c1 408628822 BQSDXPIGILJPRJ-UHFFFAOYSA-N 403.865 5.983 0 40 HKAB Cc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2C)n1 408699707 VWEJLTYKOAAVMC-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2 408994666 IJUNNVMAHVBRTQ-NYVOZVTQSA-N 410.300 6.163 0 40 HKAB Cc1ccc(S(=O)(=O)Oc2ccc(CNc3cc(Cl)ccc3C)cc2)cc1 409114365 HADVLBHXASMBAD-UHFFFAOYSA-N 401.915 5.337 0 40 HKAB Cc1ccc(C)c(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 409122255 ZQVSBZRWIQDVRY-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB Clc1cc(Br)cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c1 1857791365 JPXXCCBGRFWJEH-UHFFFAOYSA-N 421.725 6.894 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4cc(F)ccc4C)sc3n2)c1 661316 PJAUWMGEZINNFA-UHFFFAOYSA-N 407.470 5.254 0 40 HKAB C[C@H]1CCc2nc3sc(C(=O)Nc4ccccc4F)c(N)c3c(C(F)(F)F)c2C1 663999 VPXQONCWGXIZHG-VIFPVBQESA-N 423.435 5.414 0 40 HKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cccc(OC)c1 958065 KBZZZBRBTNTLJZ-UHFFFAOYSA-N 415.898 5.506 0 40 HKAB COc1cccc(-c2cc(C(=O)Nc3ccccc3OC)c3cc(C)cc(C)c3n2)c1 993128 HGYLXKASGAGHNU-UHFFFAOYSA-N 412.489 5.788 0 40 HKAB O=C(CC1c2ccccc2Oc2ccccc21)Nc1ccc2oc3c(c2c1)CCCC3 1426668 KZSBMIWBNVUNNH-UHFFFAOYSA-N 409.485 6.578 0 40 HKAB Cc1nc(N2CC[C@H](c3ccccc3)C2)c2sc(=S)n(-c3ccccc3)c2n1 1444474 ROIATJSJNGGJPH-KRWDZBQOSA-N 404.564 5.514 0 40 HKAB C[C@H]1CCCCN1Cc1ccccc1COC(=O)c1ccc(Br)cc1 1716187 HZTXHBKYGFJITQ-INIZCTEOSA-N 402.332 5.181 0 40 HKAB COc1ccc([C@@]2(c3ccccc3F)C=Cc3c(ccc4cc(OC)ccc34)O2)cc1 2055038 WKYMAEGRRCJZRP-HHHXNRCGSA-N 412.460 6.346 0 40 HKAB COc1ccccc1[C@H](CC(=O)NCCc1ccccc1)c1ccc(OC(C)C)cc1 2091435 DVNLTGRIUMJKRS-RUZDIDTESA-N 417.549 5.363 0 40 HKAB biogenic C1=C([C@H]2CCCc3cc4c([n+](-c5ccccc5)c32)[C@@H](C2=CCCCC2)CCC4)CCCC1 2193444 HAFKOYPGVUSKOM-FQLXRVMXSA-N 424.652 7.804 0 40 HKAB CCCCSc1nc(NCc2ccco2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2235308 QZEFQIROSLTXPP-NRFANRHFSA-N 417.600 6.030 0 40 HKAB CC(=O)c1c(-c2ccc(C)cc2)c2c3n(c(-c4ccc(Cl)cc4)cn13)CCCC2 2335106 OQIGTFKJYKAJNU-UHFFFAOYSA-N 402.925 6.576 0 40 HKAB O=C(C[C@H](Sc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1)c1ccccc1 2578606 BFMYYFNJXDQWFP-NRFANRHFSA-N 421.776 7.753 0 40 HKAB COC(=O)c1sccc1NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 2753284 DQSSHOXYUHKRHD-UHFFFAOYSA-N 418.474 5.011 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccc(Br)c4)ccc3o2)c(C)c1 3042692 FHNVMMYYQOWDTA-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB O=C(Nc1cccc(Cl)c1)C1=C(N2CCCCC2)/C(=C/c2ccccc2)CCC1 3196217 WFMZSEURFVRHTQ-LVZFUZTISA-N 406.957 6.286 0 40 HKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1c2c(nc3ccccc13)CCCC2 3272361 NHVZDDDSXGKAOO-MHZLTWQESA-N 421.496 5.895 0 40 HKAB O=C(Oc1ccc(Br)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 3289532 QKYWRFRMBOOXGD-UHFFFAOYSA-N 419.278 5.521 0 40 HKAB Cc1ccc(NC(=S)Nc2cccc(I)c2)cc1Cl 3296607 ZPKMARUPHNWACT-UHFFFAOYSA-N 402.688 5.062 0 40 HKAB FC(F)(F)Oc1ccc2nc(/C=C/c3ccccc3Cl)c3c(c2c1)SCC3 4053538 CWXBFJYDWFUQOJ-FNORWQNLSA-N 407.844 6.605 0 40 HKAB Cc1ccccc1NC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CCCC3 4217297 DVWNQXCMWXVIEF-UHFFFAOYSA-N 409.580 5.487 0 40 HKAB COc1ccc(-c2c(C)c3cc(OC(=O)c4ccccc4C)ccc3oc2=O)cc1 4340736 QEZNNOIJJKZJFV-UHFFFAOYSA-N 400.430 5.305 0 40 HKAB biogenic CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OC)c2OC)N3)C1 4554608 OCGIEMJCBZQPOQ-RBZFPXEDSA-N 414.571 5.735 0 40 HKAB CCCC[C@H](CC)COC(=O)c1cccc(C(=O)OCCCCCCCC(C)C)c1 4683303 PRQZIYTWKPUCOW-QFIPXVFZSA-N 418.618 7.213 0 40 HKAB COc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nc4ccccc4n32)cc1 4767886 APPJTHRLZBCNPD-QHCPKHFHSA-N 417.509 5.210 0 40 HKAB CC[C@@]1(C)CC[C@@H]2[C@H](CC[C@H]3[C@](C)(C(=O)OC)CCC[C@]23C)C12SCCS2 5104644 OYCPIYLGNKGHOM-CHBSCGLWSA-N 410.689 6.385 0 40 HKAB COc1ccc2sc(N(Cc3cccnc3)C(=O)c3ccccc3Cl)nc2c1 5142278 ACHIKLDPSYBIMA-UHFFFAOYSA-N 409.898 5.200 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1 5204140 ZZKFNUZINQRUDN-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(Cc1ccccc1)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 5235462 COGJICGFKDRDSZ-UHFFFAOYSA-N 410.848 5.587 0 40 HKAB COCCn1cc(NC(=O)Nc2ccc(Br)cc2C)c2ccccc21 5266546 SRRHKULLOIPCHX-UHFFFAOYSA-N 402.292 5.003 0 40 HKAB Fc1ccc2[nH]cc(CCNC(=S)Nc3ccc(Nc4ccccc4)cc3)c2c1 5450852 LVPZJKUFIIROHT-UHFFFAOYSA-N 404.514 5.580 0 40 HKAB CCOc1ccc(C2=NN=C(c3ccc(F)cc3)Nc3c2ccc2ccccc32)cc1 5904760 NOKVTQCCJMMNET-UHFFFAOYSA-N 409.464 6.002 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 6051184 TVAJLISRNMZYNH-UHFFFAOYSA-N 416.546 6.703 0 40 HKAB Cc1cc([C@H]2S[C@@H](C)C(=O)N2Cc2ccc(Cl)cc2)cc(C)c1OC(F)F 6602826 AZLNTSNBMWICEP-ORAYPTAESA-N 411.901 5.721 0 40 HKAB O=C(NCc1ccccc1)c1cc2cc(C34CC5CC(CC(C5)C3)C4)ccc2oc1=O 6779966 GMTVSGHWJYPUNO-UHFFFAOYSA-N 413.517 5.191 0 40 HKAB O=C(COc1cccc2ccccc12)Nc1ccccc1-c1nc2ccccc2s1 6886111 SJTZOWKOGSNJGE-UHFFFAOYSA-N 410.498 6.134 0 40 HKAB COc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 6964951 DDXQYZOIDKUMAQ-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB Cc1ccc(NC(=O)Cc2nc(CN(C)c3ccc4ccccc4c3)cs2)cc1 7494033 NDQVJCZOSALUAR-UHFFFAOYSA-N 401.535 5.422 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)ccc21 7504718 JOMFIKMCIALJKM-SFHVURJKSA-N 414.549 6.518 0 40 HKAB CCCc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(F)cc1 7601338 TZEQJHNJLLFOGU-UHFFFAOYSA-N 406.914 5.008 0 40 HKAB O=c1cc(-c2ccccc2)c2ccc(OCc3ccc(-c4ccccc4)cc3)cc2o1 7699070 YXEDLIYGYRSGRG-UHFFFAOYSA-N 404.465 6.706 0 40 HKAB COc1ccc(-c2noc(CN(C(=O)c3ccc(Cl)c(Cl)c3)C(C)C)n2)cc1 8994865 PBSCWBURGGOJEQ-UHFFFAOYSA-N 420.296 5.103 0 40 HKAB CC[C@H](c1ccccc1)c1nnc(NC(=O)c2cccc(Br)c2)s1 9168677 MBJVESJFAGQJTK-OAHLLOKOSA-N 402.317 5.095 0 40 HKAB Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)n2C)c1 9508112 MYOQMCZJYNEKIU-LBPRGKRZSA-N 421.353 5.217 0 40 HKAB Cc1cc(-c2nn3c(-c4ccccc4)nnc3s2)c2cc(Br)ccc2n1 12274141 HQCQSXLRJQFQFB-UHFFFAOYSA-N 422.311 5.139 0 40 HKAB O=C(c1ccc(Cl)cc1)n1ccc(/C=C/c2ncc(C(F)(F)F)cc2Cl)n1 12338546 RFFXUDMUIBQENK-AATRIKPKSA-N 412.198 5.463 0 40 HKAB Cc1csc(-c2ccc(OCC(=O)N(Cc3ccco3)C3=CCCCC3)cc2)n1 12598959 KMANNIIVYHTZMI-UHFFFAOYSA-N 408.523 5.577 0 40 HKAB CSc1ccc(Cl)c(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 12779369 KNWPYNFUTKSCNR-UHFFFAOYSA-N 414.939 5.862 0 40 HKAB C[C@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(C(=O)c2ccc(Cl)cc2)n1 12856731 BTGKNDJAZLRZJA-INIZCTEOSA-N 420.871 6.171 0 40 HKAB COCc1c(C(=O)Nc2ccccc2Oc2ccccc2Cl)oc2ccccc12 12929135 BYWXDUNRKXGNGN-UHFFFAOYSA-N 407.853 6.277 0 40 HKAB COc1ccc(C)cc1NC(=O)Cc1csc(-c2cccc(Br)c2)n1 12944804 PPTKARQGSHARIZ-UHFFFAOYSA-N 417.328 5.071 0 40 HKAB C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(C(C)(C)C)cc1 13675181 YFSYVRNETHKYMC-ZDUSSCGKSA-N 400.371 5.472 0 40 HKAB Cc1[nH]c2c(-c3ccccc3)c(COc3ccccc3)nn2c(=O)c1Cc1ccccc1 17027975 YYJXXSMIHPYQRQ-UHFFFAOYSA-N 421.500 5.168 0 40 HKAB Fc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(F)cc3)c2Cl)cc1 17082131 JXUYOZYDPGVXRZ-UHFFFAOYSA-N 401.243 6.791 0 40 HKAB O=C(Nc1cccc(NC(=O)c2cccnc2Cl)c1)c1ccc(Cl)cc1Cl 17092428 PEMSVEXEFBPQFU-UHFFFAOYSA-N 420.683 5.546 0 40 HKAB CCCCCC[C@H](C)OP(O[C@@H](C)CCCCCC)O[C@H](C)CCCCCC 17161968 CWMBGKXLZCXEIX-KMDXXIMOSA-N 418.643 9.340 0 40 HKAB COc1cc2ccccc2cc1C(=O)NCCSCc1ccc(Cl)cc1Cl 20459616 NPCZYFVWXQWLOL-UHFFFAOYSA-N 420.361 5.818 0 40 HKAB CCn1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)c2cc(C)ccc21 22234654 GBSPKBJEFCFPQX-UHFFFAOYSA-N 408.807 5.254 0 40 HKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(Br)cc1 22237718 YZJXHFYUEFEKJG-UHFFFAOYSA-N 402.317 5.234 0 40 HKAB CC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(C)cc1 22532924 YAMWRTWQVFPYED-LJQANCHMSA-N 418.375 5.701 0 40 HKAB Cc1ccccc1OCc1nc2ccccc2n1C[C@H](O)COc1ccccc1Cl 31903631 YIWGYSIWJWDBDE-SFHVURJKSA-N 422.912 5.017 0 40 HKAB Cc1cccc(OCC(=O)Nc2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)c1 32623578 FVRJQSXMULXDTH-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CCCOc1ccc(NC(=O)c2cc(-c3ccc(OCC)cc3)on2)c2cccnc12 32624415 JIVQNFQGOHBOMN-UHFFFAOYSA-N 417.465 5.330 0 40 HKAB COc1cc(Cl)c(C)cc1NC(=O)c1c(C)nc(-c2cccs2)nc1SC 32909232 LERSOPZDBJRNLY-UHFFFAOYSA-N 419.959 5.458 0 40 HKAB COc1ccccc1-c1nnc(SCC[C@H]2CCCCN2C)n1-c1ccc(C)cc1 32944880 MAGNQAMQDVXPPN-LJQANCHMSA-N 422.598 5.218 0 40 HKAB CCC(=O)Nc1cc(NC(=O)CSc2nc3ccc(C)cc3cc2CC)ccc1C 35288870 RBHLWKJNAJGFFN-UHFFFAOYSA-N 421.566 5.493 0 40 HKAB Cc1ccccc1-c1csc2c(=O)n(Cc3cccc(C(F)(F)F)c3)cnc12 38655067 YQSWARYXGVUOQI-UHFFFAOYSA-N 400.425 5.501 0 40 HKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccccc2F)cc1 40485348 BMZCLOXYOHYAFE-QFIPXVFZSA-N 407.872 5.840 0 40 HKAB Cc1csc(Sc2ccc(NC(=O)N3CCC[C@@H]3c3cccc(F)c3)cc2)n1 84271347 ODCBSMQSEYBQAM-LJQANCHMSA-N 413.543 6.111 0 40 HKAB Nc1nc(SCc2cc(Cl)ccc2OCc2cccnc2)nc2sccc12 89794040 PFFZPWMLAXFFHW-UHFFFAOYSA-N 414.943 5.193 0 40 HKAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1nc2c(s1)CCC2 96009104 PHWWMCDFZQYCOU-UHFFFAOYSA-N 414.328 5.017 0 40 HKAB COc1ccc(OC)c2c1[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 100689722 XEOCQPURFNDYLT-RYUDHWBXSA-N 408.923 5.462 0 40 HKAB C[C@@H](NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)[C@@H]1C[C@H]2CC[C@H]1C2 102151106 JJJIXHXDPRNWPV-MSQSPTIYSA-N 413.602 5.379 0 40 HKAB COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)c1 102865234 URNFMROWNCUSOS-XMMPIXPASA-N 418.537 6.144 0 40 HKAB O=C(c1ccc(Br)o1)N1CCS[C@@H](c2ccccc2Cl)CC1 208046535 MJLQYPNPBFNQNL-CQSZACIVSA-N 400.725 5.016 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 222936051 SXJCCSQDQDBBEY-RPWUZVMVSA-N 411.586 6.054 0 40 HKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)N[C@@H](C)c4ccc(F)cc4)ccc32)c1 223086128 YOJFGCJUWMMKIZ-SFHVURJKSA-N 416.496 5.218 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 223432360 UAJBSOKMQMNQIY-LJQANCHMSA-N 411.851 6.034 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1cc(C)cc(C)c1 224193295 KYPQJOJVVNGEBR-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)c1 224242082 UTVYKSPOCCNKIC-BJKOFHAPSA-N 416.594 5.874 0 40 HKAB FC(F)(F)c1cccc(C2=N[C@@H](c3ccccc3)c3ccccc3-n3cccc32)c1 225373830 DPZXEOBKILWLSS-QHCPKHFHSA-N 402.419 6.437 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1 225581556 NOSRJQPZRNFEEE-UHFFFAOYSA-N 408.325 5.469 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260818178 WQTXITUSWDIYKN-SQJMNOBHSA-N 418.622 5.501 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)c1cc(Cl)ccc1OCc1ccccc1 408588925 XFGHTSVEAGVTRX-UHFFFAOYSA-N 405.803 6.190 0 40 HKAB COc1ccccc1/C=C1\S[C](Nc2ccccc2)N([C@@H]2CCCC[C@@H]2C)C1=O 408803563 QNPWAGRBPLSHRU-RRDYPLETSA-N 407.559 5.749 0 40 HKAB Cc1ccc(C)c(NCc2cc(Br)ccc2OCc2ccc(F)cc2)c1 409121611 XCJFTOUDXJOXRB-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB C[C@@H](NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2)c1ccccc1 409167794 NHDBOUACFMYXBR-YHXQMFSVSA-N 422.572 6.474 0 40 HKAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccccc3Cl)[C@](O)(C(F)(F)F)[C@H]2C1 409357234 PMFZZMFCAJYNOR-SPKLELGKSA-N 416.871 5.255 0 40 HKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2C)c1 409382292 QYXLFFHKJPHCPA-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB O=C(Nc1sc2c(c1C(=O)O)CC[C@@H](c1ccccc1)C2)c1ccc(Cl)cc1 585141374 TXGPMGVEJDVPAE-OAHLLOKOSA-N 411.910 5.625 0 40 HKAB CC(C)c1ccc(-c2nc3n(n2)[C@]2(c4ccccc4)CCC(=O)N2c2ccccc2-3)cc1 1616030934 HYWPXKYDOIDBMD-MHZLTWQESA-N 420.516 5.577 0 40 HKAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1ccc(OC)c(OC)c1 948615 VSMFZKYUNUKNJV-UHFFFAOYSA-N 400.862 5.134 0 40 HKAB CCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cc2ccc(OC)cc2nc1Cl 1297392 VBLRJHLNSPGJDV-OAQYLSRUSA-N 407.901 5.293 0 40 HKAB Clc1ccc(OCc2nnc(SCc3ccc4ccccc4c3)o2)c(Cl)c1 2076442 ALTVBTCXSDSBON-UHFFFAOYSA-N 417.317 6.401 0 40 HKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2ccccc2Cl)C4)cc1 2121808 AKQUBTQXCAYWHL-UHFFFAOYSA-N 419.864 5.479 0 40 HKAB biogenic CCCCc1c(C)c2ccc3oc(C(=O)c4ccc(OC)cc4)c(C)c3c2oc1=O 2180697 ORBMRDUCGSBTTR-UHFFFAOYSA-N 404.462 5.738 0 40 HKAB biogenic O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(F)cc1 2284214 RLSWXJQOXNTWOZ-UHFFFAOYSA-N 416.839 6.693 0 40 HKAB Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)c(C)c2)c1 2398327 MZXNDEHMDKRCKF-UHFFFAOYSA-N 418.522 5.099 0 40 HKAB COc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@@H](C)CC3=O)cn1 2512794 CCAIZEFJGDVDAT-CYBMUJFWSA-N 411.299 5.075 0 40 HKAB CCn1c(SCc2ccc(Cl)cc2)nc2scc(-c3ccccc3)c2c1=O 2679486 HJTHAXYVDXMFQQ-UHFFFAOYSA-N 412.967 6.091 0 40 HKAB COc1ccc(-c2cn3nc(-c4ccc(Cl)cc4Cl)n4c3c2CCCC4)cc1 2684454 UFCVYXGCHRVRFN-UHFFFAOYSA-N 412.320 6.122 0 40 HKAB O=c1cc(CSc2nc(C3CC3)nc3sc4c(c23)CCCC4)c2ccccc2[nH]1 4217301 KBESPXQMUNBGRK-UHFFFAOYSA-N 419.575 5.581 0 40 HKAB CCCOC(C(=O)OCCCN1CCCCCC1)(c1ccccc1)c1ccccc1 4311788 JPBVAXFIXKDOHH-UHFFFAOYSA-N 409.570 5.166 0 40 HKAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1cccc(OCc2ccccc2Cl)c1 4662620 YRBUXDIXWVTNHY-CIAFOILYSA-N 407.828 5.403 0 40 HKAB COc1ccc(-c2nc(N(Cc3ccccc3)C(=O)c3ccccc3)sc2C)cc1 4674991 LHEUEUABWGPVKV-UHFFFAOYSA-N 414.530 5.974 0 40 HKAB O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 4837099 MAJNBCCLBVIWMV-BOPFTXTBSA-N 401.315 5.449 0 40 HKAB O=C(Nc1ccccc1N1CCN(c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 4922500 IDMAYYUSJVLGBC-UHFFFAOYSA-N 415.581 5.168 0 40 HKAB CCCCOc1ccc(NC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)cc1 4971362 QZFGBRKNWXHFSR-UHFFFAOYSA-N 422.525 6.321 0 40 HKAB CCOc1ccccc1Oc1c(C)oc2cc(OCc3ccccc3)ccc2c1=O 5980629 ZIOTVIBUNCDFOA-UHFFFAOYSA-N 402.446 5.871 0 40 HKAB biogenic O=C(c1c[nH]c2ccccc12)[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 6080375 IVPVSYSGKZFCTK-OQAHHZTMSA-N 413.517 5.852 0 40 HKAB Cc1cc(C)cc(N(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c1 6419010 JNWMJMTZKZKXIB-UHFFFAOYSA-N 403.906 5.491 0 40 HKAB CCCNCc1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1 7262311 RECCREUKZOHLGN-UHFFFAOYSA-N 412.755 5.580 0 40 HKAB CC(C)c1ccc(NC(=O)[C@H]2CCc3sc(NC(=O)c4ccccc4)nc32)cc1 9131263 QBFATMQWUJPYRF-SFHVURJKSA-N 405.523 5.187 0 40 HKAB Cc1cccc(-c2nnc([C@@H](C)Sc3nnc(-c4ccccc4F)n3C3CC3)o2)c1 9778866 NKYOSGMBYFSPQR-CQSZACIVSA-N 421.501 5.631 0 40 HKAB COc1cccc2cc(/C=C/C(=O)O[C@@H](C)C(=O)Nc3ccccc3C(C)C)oc12 11580975 USQLNWRJURHBRM-DBTPVHCXSA-N 407.466 5.148 0 40 HKAB COc1ccc(-c2cc(N[C@@H](C(=O)N3CCCC3)c3ccccc3)ccc2OC)cc1 12568035 NZPRVASMMDJDSE-RUZDIDTESA-N 416.521 5.146 0 40 HKAB Cc1ccc2cc(CN3CCC(c4nc5ccccc5o4)CC3)c(Cl)nc2c1C 12700836 GVCDJIHVTSGSKV-UHFFFAOYSA-N 405.929 6.026 0 40 HKAB Cc1nc2cc(NC(=O)c3cn(Cc4ccccc4)nc3-c3ccccc3)ccc2o1 12877746 JYYKWYZYBRXAAQ-UHFFFAOYSA-N 408.461 5.300 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)CCC1CCCC1 12907654 FNJKHSDLCXVMOK-UHFFFAOYSA-N 420.962 5.358 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Oc2ccc(C(=O)c3ccccc3)cc2)cc1OC 13095352 BUACUZXMLPPXOE-UHFFFAOYSA-N 424.880 5.588 0 40 HKAB C(=C\c1ccc(-c2nc3ccccc3o2)cc1)\c1ccc(-c2nc3ccccc3o2)cc1 17060393 ORACIQIJMCYPHQ-KTKRTIGZSA-N 414.464 7.473 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)c2nc3ccc(F)cc3[nH]2)n1 19691238 FLZUVNNPRQOCCZ-JOCHJYFZSA-N 418.447 5.189 0 40 HKAB Cc1cccc(COc2ccc(C(=O)Nc3ccc(F)cc3)nc2Br)c1 19872952 FNCZFYBAHUEGBN-UHFFFAOYSA-N 415.262 5.123 0 40 HKAB COc1ccc([C@@H](C)NC(=O)c2ccccc2SCc2ccccc2)cc1OC 20105524 BXVIVQJBYSQMPG-QGZVFWFLSA-N 407.535 5.487 0 40 HKAB Cc1cccc(Cn2c([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)nc3ccccc32)c1 21167643 ZQJKVTBANXFGLS-LJQANCHMSA-N 415.924 5.567 0 40 HKAB CN1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2Cl)CC1 21595883 YYLSDBRBVYOLDU-FMIVXFBMSA-N 421.928 5.004 0 40 HKAB Cc1cccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)c1 21882558 RKNLTTVKSNAIOY-HNNXBMFYSA-N 423.582 5.015 0 40 HKAB COc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(N3CCCCCC3)c2c1 22573927 FIJGWFUVGXKPDH-UHFFFAOYSA-N 424.566 5.073 0 40 HKAB C[C@H](Oc1ccccc1F)C(=O)N(Cc1ccc(F)cc1Cl)c1ccccn1 28292504 VHTGDJDKLGPHHH-AWEZNQCLSA-N 402.828 5.014 0 40 HKAB COc1cccc([C@@H]2CC(O)=Nc3c(-c4ccc(Cl)cc4)nsc32)c1OC 32091705 RAIYZXGGAFCVEV-AWEZNQCLSA-N 400.887 5.604 0 40 HKAB Cc1ccc(N(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 33613462 JFFLZRATJNPBLZ-UHFFFAOYSA-N 403.906 5.491 0 40 HKAB COc1ccc(-n2nnnc2C2(Nc3ccc(C(C)C)cc3)CCCCC2)cc1OC 35622795 UHMRLAQBRSRXDT-UHFFFAOYSA-N 421.545 5.074 0 40 HKAB COc1ccc(C(=O)c2sc(Nc3ccccc3)nc2-c2ccc(OC)cc2)cc1 36611886 UVGNZXUDEAFUCU-UHFFFAOYSA-N 416.502 5.802 0 40 HKAB CCc1ccccc1NC(=O)CSc1nc2ccccc2n1Cc1ccccc1C 41076846 UFMNHUUDNGABCD-UHFFFAOYSA-N 415.562 5.686 0 40 HKAB O=C(Nc1ccc2c(c1)OCCO2)c1scc(-c2cccc(F)c2)c1-n1cccc1 48991733 NHXGDVZAVGHJNV-UHFFFAOYSA-N 420.465 5.368 0 40 HKAB CSC(SC)=C1CCC[C@H]2C1=NN(C(=O)c1ccccc1)[C@@H]2c1ccccc1 51329760 IISJHRJUPUHURQ-GHTZIAJQSA-N 408.592 5.977 0 40 HKAB Cc1ccc(-c2noc(-c3nn(-c4ccc(Cl)cc4)c(=O)c4ccccc34)n2)cc1 64949889 NXDLTAVQFBLSDX-UHFFFAOYSA-N 414.852 5.065 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(OC)c(F)c2)cc1 67297771 PCIVONKFIUCYRT-PNHLSOANSA-N 418.424 5.074 0 40 HKAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cccc2c(Cl)cccc12 72229888 QZSMQRNPWCNBCU-HSZRJFAPSA-N 422.311 6.481 0 40 HKAB Cc1nc2ccccc2n1C[C@H]1CCCN1C(=O)Nc1cccc(C(F)(F)F)c1 89729952 DPSGJXIRWOCCQB-QGZVFWFLSA-N 402.420 5.060 0 40 HKAB CCCCN(C)C(=O)c1ccc2onc(-c3coc(-c4cccc(OC)c4)n3)c2c1 96037836 KFOQQJHSZJGRIO-UHFFFAOYSA-N 405.454 5.031 0 40 HKAB OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc(F)cc2)C[C@H](c2ccc(Cl)cc2)C1 102642697 STICKSNCYMGCLF-SSOJOUAXSA-N 418.899 7.108 0 40 HKAB CCOc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2Br)C1=O 215097581 RCHLYKNCWFFVSG-GZTJUZNOSA-N 418.312 5.084 0 40 HKAB Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1Cl 222627910 SPTAOYFTQPVLJQ-IWMITWMQSA-N 408.958 5.423 0 40 HKAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c(Cl)c1Cl 223719022 LNGGVIBPBYEVPS-UHFFFAOYSA-N 416.370 5.120 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 223948472 PFICNHDLANWVKH-UHFFFAOYSA-N 422.550 5.173 0 40 HKAB Cc1ccc([C@H](NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)cc1 224360647 JKSCAGYGEXOTPL-HFZDXXHNSA-N 401.550 6.100 0 40 HKAB O=C(Nc1cccc(Br)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 224893440 DXXYZSTUWSDNRJ-UHFFFAOYSA-N 419.278 6.023 0 40 HKAB Cc1ccccc1[C@H](NC(=S)Nc1cccc(N2CCCC2=O)c1)c1ccccc1 225507227 PHCRCUCABVWTRM-XMMPIXPASA-N 415.562 5.198 0 40 HKAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(CN2CCCCC2)cc1 225648960 YRPVCEGBANNIFB-UHFFFAOYSA-N 412.946 5.097 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2ccccc12 225779381 ULKYEAUBLNTHEJ-UHFFFAOYSA-N 423.940 5.967 0 40 HKAB CC[C@H]1O[C@@H]2c3cc(C(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(Cl)cc1 257210386 BUKLJXJWLKARSJ-WQZMEWCLSA-N 400.902 5.849 0 40 HKAB CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 260924526 IFNYCQWQHPRAOO-ZCYQVOJMSA-N 408.561 5.184 0 40 HKAB COc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1Cl 408574416 QKSAMZPHOZHRIQ-FMIVXFBMSA-N 412.898 5.135 0 40 HKAB COc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)c(Cl)c1Cl 408579637 IXHDZFYYGWHCBM-UHFFFAOYSA-N 401.098 5.110 0 40 HKAB CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)c2ccccc21 409109313 BNHDAXJOCZENLV-HAHDFKILSA-N 401.481 5.948 0 40 HKAB CCc1ccccc1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 409111399 AJAVFMSAJKIYOM-UHFFFAOYSA-N 416.348 6.756 0 40 HKAB O=C1S/C(=C/c2ccc(Sc3ccccc3)o2)C(=O)N1c1cccc(Cl)c1 409218373 USDQTCGKYUBECR-SFQUDFHCSA-N 413.907 6.325 0 40 HKAB Cc1cccc(C)c1OCc1nnc(SCc2ccc(Cl)cc2Cl)n1C 409346136 NGKDFKIIDIRUDR-UHFFFAOYSA-N 408.354 5.610 0 40 HKAB Cc1cc2c(cc1-c1ccnc3nc(-c4ccc(Cl)cc4)nn13)[C@@H](C)CC(C)(C)N2 575473074 DPSAKHGSDFZZBB-HNNXBMFYSA-N 417.944 6.118 0 40 HKAB C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1cccc2ccccc12 641868414 CRECTSHZJZTKKH-LJQANCHMSA-N 418.500 5.579 0 40 HKAB C[C@H](N[C@@H]1CCCc2nc(-c3ccccc3F)sc21)c1ccc2nc(O)[nH]c2c1 675880190 YQUYCYCEMDJTQW-YVEFUNNKSA-N 408.502 5.259 0 40 HKAB O=C(Nc1ccc2[nH]nc(-c3ccc4[nH]ccc4c3)c2c1)c1c(Cl)cccc1Cl 1772820606 AZPDJGLJPDRCDQ-UHFFFAOYSA-N 421.287 6.270 0 40 HKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)/C=C/c1ccco1 706881 GXLSIDHPJSUSBB-MDZDMXLPSA-N 401.871 5.490 0 40 HKAB Nc1c(C(=O)NC2CC2)sc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c12 756964 RDARSWIDOHRYMW-UHFFFAOYSA-N 403.482 5.244 0 40 HKAB COc1cc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc(OC)c1OC 783555 KRNKIAVKUWYTPY-UHFFFAOYSA-N 413.857 5.410 0 40 HKAB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(Br)o1 861604 KQQVXROIIUDTGL-UHFFFAOYSA-N 415.268 5.277 0 40 HKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2cccs2)c(C)c1 987100 IPCBYQDEQORTLD-UHFFFAOYSA-N 420.563 5.343 0 40 HKAB O=C(NC1CCCC1)[C@H](c1ccccc1F)N(C(=O)c1ccco1)c1cccc(F)c1 1380117 LVNRBHNDQNSLGN-QFIPXVFZSA-N 424.447 5.005 0 40 HKAB Cc1ccccc1OCCCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 1772537 LCOYAKXPKJASQR-UHFFFAOYSA-N 407.897 5.677 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1 1858907 VXJLFLUUPUTNFH-VMPITWQZSA-N 409.338 5.349 0 40 HKAB CC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)[C@@H](C)c1cccs1 2256520 BXEUCOHZDIOKBI-QUURXOELSA-N 413.627 6.129 0 40 HKAB c1coc(-c2nc3sc4c(NC5CCCCC5)ncnc4c3c3c2CCCC3)c1 2281363 PDPVOOYQMRTSOT-UHFFFAOYSA-N 404.539 6.123 0 40 HKAB COc1cccc(-c2nc(Oc3ccc(OC(C)C)cc3)c3ccccc3n2)c1O 2331875 PFKLKZSEFAJTTA-UHFFFAOYSA-N 402.450 5.591 0 40 HKAB C[C@@H](c1ccccc1)n1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21 2368780 IEBLVUPSPXWCIQ-KRWDZBQOSA-N 422.488 5.133 0 40 HKAB Cc1ccc(OCc2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)cc1 2404743 VTUBDTGCSGPJGT-OAHLLOKOSA-N 406.555 5.377 0 40 HKAB CCCSc1nc(NC[C@@H]2CCCO2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2424763 KJXBNJDQKZQPKC-RBZFPXEDSA-N 407.605 5.026 0 40 HKAB Cc1cc(C(=O)COC(=O)c2ccc(-c3ccccc3)cc2)c(C)n1Cc1ccco1 2617183 MVZLFSNRXRXWJW-UHFFFAOYSA-N 413.473 5.453 0 40 HKAB CC[C@H](NC[C@H](O)COc1ccccc1C(C)C)c1ccc(Br)cc1 3441556 DSZGNJFNCOPFRU-ICSRJNTNSA-N 406.364 5.053 0 40 HKAB O=C(NCc1cccnc1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@@H](c1ccccc1)N2 4030208 HSJXOMZEPTVVQC-MBCOQLRTSA-N 409.533 5.308 0 40 HKAB CC(C)[C@H](CC(=O)NCC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccco1 4046591 ABWOYWSDRKZXNC-VJBWXMMDSA-N 411.586 5.905 0 40 HKAB biogenic O=C(NCCn1cc(SCc2ccccc2)c2ccccc21)c1ccc(Cl)cc1 4059812 CZBLJYNAUDZDDM-UHFFFAOYSA-N 420.965 6.017 0 40 HKAB CCc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3ccccc23)cc1 4130164 UHNUPRFKSJMPMN-UHFFFAOYSA-N 413.546 5.898 0 40 HKAB Cc1ccccc1N1C(=O)c2ccc(C(=O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)cc2C1=O 4174997 QCLDUUXNUVDQEN-ZDWFVDTJSA-N 419.521 5.413 0 40 HKAB Cc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2Cl)cc1 4518111 CTRVYIBKMSOAOB-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC(=O)c4ccco4)cc2)N3)C1 4571354 UCGWJMPFGDJVPT-BLVKFPJESA-N 408.479 5.114 0 40 HKAB CC(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)CCc4ccccc4)nc3C2)cc1 4777112 DCEVQCFEFUGFRK-OAQYLSRUSA-N 413.521 5.084 0 40 HKAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2CSc2nc(C)cs2)cc1 4798140 WABJYWNAYGNTFM-MRXNPFEDSA-N 411.548 5.480 0 40 HKAB CCCCCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccc2)cc1 4866054 YGNQSUHOYAACRC-NRFANRHFSA-N 404.432 5.029 0 40 HKAB COc1cccc(-c2nc(Oc3ccccc3OC(C)C)c3ccccc3n2)c1O 5562538 LBIUQNWQIHAUJQ-UHFFFAOYSA-N 402.450 5.591 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2c(C)n(C)c4ccccc24)N3)C1 6709529 ZLRQUDPTRBTIHB-IVZQSRNASA-N 421.610 6.518 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccc(C)cc1C 6844130 ICLWHIVVBVBPMI-UHFFFAOYSA-N 418.518 5.606 0 40 HKAB Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1ccccc1 6962128 ILKCVYBAWDTEII-LPYMAVHISA-N 413.502 5.202 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(NC(=O)c2cccs2)c1 8392161 MSOLEFBCTJKCKZ-UHFFFAOYSA-N 405.523 5.243 0 40 HKAB O=C(NCCCc1nc2ccccc2n1Cc1ccccc1F)c1ccc(Cl)cc1 8742030 ZFZVUFYTDVBHAC-UHFFFAOYSA-N 421.903 5.240 0 40 HKAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)CC2)c1 9063080 AMEZKJVQMWYRKN-UHFFFAOYSA-N 410.867 5.518 0 40 HKAB O=C(Nc1ccc2ccccc2c1)c1nc(SCc2ccccc2)ncc1Cl 9134951 BBZDYGBSYUPFKD-UHFFFAOYSA-N 405.910 5.828 0 40 HKAB Cc1csc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)n1 9545996 COXRKAYIWKSADF-MRXNPFEDSA-N 417.943 5.168 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1 9632833 DRROWIFOBUWNQP-UHFFFAOYSA-N 415.927 5.644 0 40 HKAB Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@@H](c1ccsc1)O2 10215540 AGQKQVXUHPJYJT-MAUKXSAKSA-N 417.353 5.814 0 40 HKAB Cc1cc(Nc2nc3ccccc3nc2Nc2cccc(F)c2)n(-c2ccccc2)n1 11692200 QCBCWXIPQBFRRQ-UHFFFAOYSA-N 410.456 5.750 0 40 HKAB C[C@H](NC(=O)CSc1nccc(C(F)(F)F)n1)c1ccc(-c2ccccc2)cc1 12790621 MWHMFDSQLNCECG-AWEZNQCLSA-N 417.456 5.132 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CSc3ccccc3)o2)c1 13004525 MAVBPGVCGIFSCE-UHFFFAOYSA-N 401.871 5.264 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1OCc1ccccc1Cl 13042368 HVZIBYGQHREIAL-UHFFFAOYSA-N 421.968 7.418 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1cncc(Br)c1 16449896 HJNGANDZTGUIPC-UHFFFAOYSA-N 417.690 5.329 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 17090358 AHRMZTWVUSQCHK-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB CCc1ccc2oc(-c3cccc(NC(=O)COc4cccc5ccccc45)c3)nc2c1 17093077 UVMGFDSMGCUGRS-UHFFFAOYSA-N 422.484 6.228 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)COc1ccc2ccccc2c1 17094027 BZTFOTNAABCNJE-UHFFFAOYSA-N 424.525 6.442 0 40 HKAB COc1cccc(CN[C@H](Cc2cccs2)c2nccs2)c1OC1CCCC1 19568176 OUCIEHXHWZCPNT-LJQANCHMSA-N 414.596 5.608 0 40 HKAB COc1ccc(C)cc1CC(=O)N1CCC[C@H]1c1cc(-c2ccccc2)cc(C)n1 19690563 ZQZJKWJDIOMNLT-DEOSSOPVSA-N 400.522 5.280 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)c2cc(C(C)(C)C)nn2C)n1 19691311 XTFICUSWWGXFNZ-OAQYLSRUSA-N 420.532 5.204 0 40 HKAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(-c2ccc(CO)o2)cc1 20144547 SCELMBYUDYKALN-UHFFFAOYSA-N 406.265 5.072 0 40 HKAB Cc1cc(N2CCC(C)CC2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 21150463 CKORYCQHYFOWKU-UHFFFAOYSA-N 408.855 5.613 0 40 HKAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cccc2ccccc12 29063811 AYXIGGKVMHTBAX-MRXNPFEDSA-N 404.897 5.958 0 40 HKAB O=C(Nc1nn(Cc2ccccc2F)cc1Cl)C(c1ccccc1)c1ccccc1 32610590 BKOXDIARCOPMDC-UHFFFAOYSA-N 419.887 5.495 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nc5ccccc5o4)c3C)o2)cc1C 33555424 BPCVHKMRCSNYGL-UHFFFAOYSA-N 422.484 6.932 0 40 HKAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1C/C(=C\c1ccc(Cl)cc1)[C@@H]2O 36614431 OOABHJLKLZEWKP-IASPKGOOSA-N 408.969 6.259 0 40 HKAB CCc1nn2c(nnc3c(=O)n([C@H]4CCCC[C@H]4C)ccc32)c1-c1ccc(Cl)cc1 40395906 YGLDQCYLBABFEF-KDOFPFPSSA-N 421.932 5.073 0 40 HKAB CC[C@@H](Oc1ccccc1C)C(=O)NCCSCc1c(Cl)cccc1Cl 44884599 JOIRPYLBWKVAOQ-GOSISDBHSA-N 412.382 5.509 0 40 HKAB Cc1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 44909470 PZZBUOVNECGTHZ-UHFFFAOYSA-N 419.396 5.263 0 40 HKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(F)cc4F)ccc32)c1 46078693 IEEZIQJSENTZAO-UHFFFAOYSA-N 406.432 5.119 0 40 HKAB C[C@H](NC(=O)c1cccc(OCc2cccnc2)c1)c1ccc(C(F)(F)F)cc1 48363113 VHZXEOFWYWZBRO-HNNXBMFYSA-N 400.400 5.170 0 40 HKAB CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(C(F)(F)F)cc1)NC2 55028119 GEUWHJBCIBWOJZ-QFIPXVFZSA-N 416.443 5.486 0 40 HKAB CCOc1ccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1CO 56205882 HQEUWIBKWVZPJN-DEOSSOPVSA-N 400.478 5.095 0 40 HKAB Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)cc(C)c1I 57313177 JCIJHEAXGFPDSZ-UHFFFAOYSA-N 420.077 5.467 0 40 HKAB CCc1onc(C)c1-c1nc(NCCc2ccccc2Cl)ncc1-c1ccncc1 72342884 WGRLRPDZTILEIE-UHFFFAOYSA-N 419.916 5.372 0 40 HKAB COc1ccc(CC(=O)N2CCC[C@H]2c2cccc(Cc3ccccc3Cl)n2)cc1 72357975 NNHQSGFEJROIIY-DEOSSOPVSA-N 420.940 5.241 0 40 HKAB Cc1cnc(Nc2cccc([C@@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)s1 72375647 VPMHQMJYQRPCSU-FQEVSTJZSA-N 424.545 5.416 0 40 HKAB COc1cc(N[C@H]2CCCN(C(=O)Nc3cc(Cl)ccc3Cl)C2)cc(OC)c1 79111416 KYGCZRRHUOJMTA-AWEZNQCLSA-N 424.328 5.119 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Br)c2)cc1COc1ccccc1 224086261 GNVFKNVXNJAXIZ-UHFFFAOYSA-N 412.283 5.289 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H]2CCCc3ccccc32)cc1 224365925 ZSVROZDRKKXQJG-NRPPHEFGSA-N 416.546 5.021 0 40 HKAB O=C(NC1CCCC1)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224939774 LTKKOPOUZBTVHI-UHFFFAOYSA-N 411.299 5.444 0 40 HKAB CCSc1nnc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)s1 225254683 TYEFWJKZEJGURI-UHFFFAOYSA-N 405.932 5.135 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Oc2nccs2)cc1 225636599 MLULYQZTAUDXDL-UHFFFAOYSA-N 402.475 5.767 0 40 HKAB COc1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c2cccnc12 225676783 MKNHFOQVTGBDOZ-SFHVURJKSA-N 407.539 5.141 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(Cl)ccc3C)n2)c1 408698348 MRDJMDBJNXYHHI-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CCCOc1c(Br)cc(Br)cc1CNc1cccc(C)c1 409113530 BOWIZWFJGHNPIQ-UHFFFAOYSA-N 413.153 5.921 0 40 HKAB CCc1ccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 409121728 ZPRXIHHGTQRIIT-UHFFFAOYSA-N 404.312 6.886 0 40 HKAB Cc1ccc(-c2ccc(OC(=O)c3ccc(Cn4nnc5ccccc54)cc3)cc2)cc1 409182960 PMNSWARZSBGMAF-UHFFFAOYSA-N 419.484 5.674 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)c3ccccc3n2)cc1 859875 YOQILAMOUKXMNU-UHFFFAOYSA-N 417.306 6.225 0 40 HKAB CCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccccc2F)C[C@@H]1C 898896 IUOFMGKXWZXZMF-MHECFPHRSA-N 416.496 5.749 0 40 HKAB Cc1ccc(NC(=O)CSc2ccccc2NC(=O)c2ccc(F)cc2)c(C)c1 1332345 SZZNZWHQEGRFTL-UHFFFAOYSA-N 408.498 5.426 0 40 HKAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc23)c1 2105344 MYLYOAFIBYOPEH-UHFFFAOYSA-N 422.528 6.555 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3o2)cc1C 2221408 GDHARKUREDDHPG-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB COc1cccc(Oc2c(C)oc3cc(OCc4ccccc4F)ccc3c2=O)c1 2413982 ZAZCAQXNWSXFIS-UHFFFAOYSA-N 406.409 5.620 0 40 HKAB biogenic CCOc1ccc(-c2nnc3c4cc(F)ccc4n(Cc4cccc(F)c4)cc2-3)cc1 2688728 FTMLJDPZSPIKCU-UHFFFAOYSA-N 415.443 5.928 0 40 HKAB Cc1ccccc1NCC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 2887718 YRZAVOFCPZGZAD-UHFFFAOYSA-N 405.445 5.112 0 40 HKAB Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 3379135 LYHHOHKOPXSVEP-MHZLTWQESA-N 404.513 6.429 0 40 HKAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1Cl)c1ccccc1 3447165 ABCURDUPGXEFJX-UHFFFAOYSA-N 420.921 5.073 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 4040371 YSWDCQJTPYALJE-OSEDYFQNSA-N 404.635 6.742 0 40 HKAB O=C(C[C@H](Sc1ccc(Cl)cc1)C(=O)O)c1ccc(C2CCCCC2)cc1 4118413 UTDWHKHTQVYLAL-NRFANRHFSA-N 402.943 6.206 0 40 HKAB Cc1cc(C)c2cc(C)c(SCC(=O)Nc3ccccc3C(F)(F)F)nc2c1 4127310 JPIYMUFTZHYPCA-UHFFFAOYSA-N 404.457 5.910 0 40 HKAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(C(C)(C)C)cc2)CSC3)c(C)c1 4176075 UICWTFYTVBPHHO-UHFFFAOYSA-N 405.567 5.786 0 40 HKAB COc1ccc(-c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c3ccccc3n2)c(OC)c1 4611830 FCBASLNVAPOEMB-IAGOWNOFSA-N 404.510 5.037 0 40 HKAB c1ccc(-c2nc3ccc(Oc4ccc5nc(-c6ccccc6)[nH]c5c4)cc3[nH]2)cc1 4615159 WKXRIOWEJGUTQK-UHFFFAOYSA-N 402.457 6.566 0 40 HKAB Clc1ccc(CO[C@H](c2ccc(Cl)cc2)c2ccccc2-n2ccnc2)cc1 4620616 MZGOORDLDQZGPD-HSZRJFAPSA-N 409.316 6.485 0 40 HKAB CCCN(C(=O)c1cccc(OC)c1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880784 SPTLKHVYLCBNTL-UHFFFAOYSA-N 409.555 5.568 0 40 HKAB Cc1ccccc1-c1nnc(SCC(=O)N(Cc2ccco2)C2=CCCCC2)o1 5086452 JCJUSOIBJDXAQQ-UHFFFAOYSA-N 409.511 5.217 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2ncnc3sccc23)c2ccccc2)c1 6115303 HTJKQZCWAMDTOT-IBGZPJMESA-N 405.548 5.780 0 40 HKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1C 6270301 UPZDTCFZKNPHPM-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCOc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCc1cccc(C)c1 6355085 XWWHMAACGIGUQX-BUVRLJJBSA-N 402.515 6.302 0 40 HKAB Fc1ccc(-c2csc3ncnc(N[C@@H]4CCN(Cc5ccccc5)C4)c23)cc1 6785869 GLGDVHMEQLEMMV-LJQANCHMSA-N 404.514 5.184 0 40 HKAB CCN(C(=O)COc1cc(Cl)c(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 6891280 KPYIDTOCCMSVAJ-UHFFFAOYSA-N 416.776 5.843 0 40 HKAB COc1ccc(CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@@H]2C)cc1F 8747886 VFLIVQZSQIUFOC-HNAYVOBHSA-N 412.534 5.531 0 40 HKAB Cc1cc2nc(-c3cc(NC(=O)c4ccccc4Cl)cc(C)c3O)oc2cc1C 9047943 LFXSGKHOFQYWGN-UHFFFAOYSA-N 406.869 6.031 0 40 HKAB Cc1ccoc1C(=O)Nc1ncc(Cc2cc(Cl)ccc2C(F)(F)F)s1 9668224 NAQSRLKFIGVDRL-UHFFFAOYSA-N 400.809 5.560 0 40 HKAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1 12800362 WPNAUEGQDDQDBA-MRXNPFEDSA-N 410.539 5.268 0 40 HKAB Cc1cccc(-c2nnc(S[C@H](C)c3nc(C(C)(C)C)no3)n2Cc2ccco2)c1 12912346 BQQIPGMQTVGSEC-OAHLLOKOSA-N 423.542 5.429 0 40 HKAB O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)NCc1cccs1 12958639 GBJZKGWNEQASJW-BJMVGYQFSA-N 418.345 5.964 0 40 HKAB Cn1c(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1C(F)(F)F 13146416 CCKYNFDBVYMMFB-QGZVFWFLSA-N 416.428 5.032 0 40 HKAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)c(Cl)c2)n2c(nc3ccccc32)N1 13635031 SKQWHRVQCLFGQQ-IBGZPJMESA-N 416.308 5.584 0 40 HKAB CCCOc1ccc(Br)cc1C(=O)Nc1cccc(Br)c1 14553053 RNLHJKGQKJSAOS-UHFFFAOYSA-N 413.109 5.253 0 40 HKAB CC1CCN([C@H](CNC(=O)c2sc3ccccc3c2Cl)c2ccco2)CC1 15860068 OTEVTTPPOYRCHG-MRXNPFEDSA-N 402.947 5.351 0 40 HKAB CCOc1ccc(Br)cc1[C@@H]1N=C(O)c2c(sc3c2CC[C@@H](C)C3)N1 15947692 JHKXLDHGOQRRPD-BMLIUANNSA-N 421.360 5.463 0 40 HKAB CCc1ccc(-c2cc3c(SCC(=O)Nc4cccc(CC)c4)nccn3n2)cc1 16841685 OQYOUQOLNXFPLL-UHFFFAOYSA-N 416.550 5.252 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)cc1 17090360 DACIMXZRYDUQHC-UHFFFAOYSA-N 415.518 5.492 0 40 HKAB O=C(NC(=S)Nc1ccccc1S)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 17093485 RYPOHBPSRXYIBP-UHFFFAOYSA-N 423.346 5.669 0 40 HKAB COc1cc(C(=O)Nc2cc(C(C)(C)C)ccc2O)ccc1OCc1c(C)noc1C 17360847 CUTVVWLJQWYICB-UHFFFAOYSA-N 424.497 5.134 0 40 HKAB COc1ccc2ccccc2c1C1N(Cc2ccccc2)CCCN1Cc1ccccc1 19325228 LBDXIXIKZSPZMO-UHFFFAOYSA-N 422.572 6.255 0 40 HKAB COc1ccc2nc(CN3CCCC[C@H]3c3nnc(-c4cccs4)o3)ccc2c1 19563695 YQHVKRRNQXJOSS-IBGZPJMESA-N 406.511 5.082 0 40 HKAB CCc1ccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccccc3)[nH]2)cc1 20182345 VXQBGOGSBNTWHO-UHFFFAOYSA-N 420.563 5.493 0 40 HKAB CCn1cc(C(=O)Nc2cc(Cl)ccc2C)c(=O)c2cc(C(F)(F)F)ccc21 22236773 JZFDBIUZYFXRNV-UHFFFAOYSA-N 408.807 5.254 0 40 HKAB O=C(COc1ccc(Oc2ccccn2)cc1)N(Cc1ccco1)Cc1cccs1 23055886 JXYPKDADMCUFBQ-UHFFFAOYSA-N 420.490 5.136 0 40 HKAB O=C(Nc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)s1)c1ccco1 24461986 APCJMDUXQTYARL-UHFFFAOYSA-N 412.492 5.091 0 40 HKAB Cc1nc(-c2ccc([C@@H](C)Nc3cnn(-c4ccccc4)c(=O)c3Cl)cc2)cs1 24828482 CAIBTHRYGGQKCD-CQSZACIVSA-N 422.941 5.491 0 40 HKAB CN(Cc1cnn(C)c1)C(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12 25046437 PANYZGGSTVSKED-UHFFFAOYSA-N 406.489 5.061 0 40 HKAB CCCc1cc(Nc2ccc(Br)cc2)n2nc(C)c(-c3ccccc3)c2n1 27584904 KSNHIHSIGVSEQX-UHFFFAOYSA-N 421.342 6.163 0 40 HKAB COc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)c2c[nH]c3ccccc23)cc1 27746102 FOCQPFYRLUPTII-OAQYLSRUSA-N 404.897 5.392 0 40 HKAB Cc1cccc(O[C@@H](C)C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)c1C 28291091 QJTQHFFDGOHOHP-KRWDZBQOSA-N 412.892 5.492 0 40 HKAB CC(C)N(C)CC1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 39563784 VHFUBNUNCVJWIX-UHFFFAOYSA-N 401.554 5.094 0 40 HKAB COc1ccc(Nc2c(C(=O)N3CCC(C)CC3)cnc3nc(C)ccc23)cc1Cl 49005438 DTTFNWSMZCBMSR-UHFFFAOYSA-N 424.932 5.216 0 40 HKAB O=C(c1cccnc1)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72349102 LRDXNEDIQIBCLR-SFHVURJKSA-N 411.427 5.182 0 40 HKAB CCOc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(F)cc1 107042646 LNWDEHHGBMTKAE-UHFFFAOYSA-N 413.920 6.686 0 40 HKAB Cc1c(C=O)c2ccccc2n1C(=O)C(C)(C)Oc1ccc(Br)cc1 216927188 YBUAJIMWMRKITK-UHFFFAOYSA-N 400.272 5.023 0 40 HKAB O=C(c1cc2ccccc2s1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 220925934 UQNGHUMGTLSTTI-CQSZACIVSA-N 409.536 5.108 0 40 HKAB CC(C)OCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 222424884 DDHDYFBHPANCQY-WQLLKYAWSA-N 418.581 5.528 0 40 HKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1 223825448 JUUMEORCEZGELE-FCHUYYIVSA-N 406.555 5.040 0 40 HKAB Cc1c(Cl)cnc(NC(=S)NCC2(c3ccccc3)CCCCC2)c1Cl 223991394 WWOCRJLNXIADGW-UHFFFAOYSA-N 408.398 5.885 0 40 HKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 224018385 YUQIJCBVHMDIIY-CYBMUJFWSA-N 409.898 5.418 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCC2)cc1COc1ccc2ccccc2c1 224638424 FKPNBXABYCJTTP-UHFFFAOYSA-N 403.522 5.880 0 40 HKAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 224975648 IDEGKFUZVQTKFL-UHFFFAOYSA-N 424.466 5.264 0 40 HKAB Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccc(Br)cc4)cc3)nc2c1 225261774 KNOIFBQLVZLDJQ-UHFFFAOYSA-N 406.283 5.553 0 40 HKAB CCCC(=O)N(Cc1ccc(C)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 225308359 IVJVMKQDPIOSMU-RUZDIDTESA-N 420.597 5.184 0 40 HKAB COCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1Cl 225541600 BJMOJXFQXGWGAU-UHFFFAOYSA-N 401.934 5.514 0 40 HKAB COc1cc(C)c(C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C(C)C 225670350 NFTBAQVJAXZCSJ-UHFFFAOYSA-N 421.541 5.405 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(Br)cc2)cc1N1[C@@H](C)CCC[C@H]1C 226330356 KJAHBJOKLSGVOP-GASCZTMLSA-N 416.363 5.359 0 40 HKAB C/C=C(\C)c1cc(O)c(C)c2c1C(=O)Oc1c(C)c(O)c(Cl)c(/C(C)=C/C)c1O2 238773015 NNSBJESOIUHEGF-AMMQDNIMSA-N 414.885 6.539 0 40 HKAB biogenic CC(C)c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)on1 257218126 DBYZLYMQBIRXLD-MRXNPFEDSA-N 413.905 5.050 0 40 HKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Br)c(Cl)c1 408585446 DUJRYKXLYLIHFY-UHFFFAOYSA-N 417.130 6.187 0 40 HKAB CCOc1ccc(C(=O)Nc2nc3c(C)ccc(C)c3s2)cc1Br 408621984 OHXWYIMLSDPYGF-UHFFFAOYSA-N 405.317 5.327 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(F)cc2)c(C)c1 408699301 SSPCMAQKIUNEFW-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1c(Cl)cccc1Cl)N2 409336970 RQSCSMWYGHTBAE-QGCDCVKKSA-N 410.300 6.163 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21)c1ccccc1 409367544 DTMDGGSIUDENOO-RFZJPIJTSA-N 410.300 5.389 0 40 HKAB Cc1cccc(OCc2nc(CC(C)C)c(-c3cccc(Cl)c3)cc2C(=O)O)c1 585265171 HXRZHHPKTQCJIC-UHFFFAOYSA-N 409.913 6.186 0 40 HKAB CCCOc1ccc(OC)cc1-c1ccc(C(=O)O)c(COc2cc(C)ccc2C)n1 585265649 WOIQRLVDAGYNIQ-UHFFFAOYSA-N 421.493 5.440 0 40 HKAB O=C(Nc1ccc(Br)c2ccccc12)c1cccc(Br)c1 683815 BTRPWYSERUXYJB-UHFFFAOYSA-N 405.089 5.617 0 40 HKAB CCOc1ccc2nc3sc(C(=O)Nc4c(CC)cccc4CC)c(N)c3cc2c1 907403 NBHYZAYTJDFDTK-UHFFFAOYSA-N 419.550 5.808 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc2nn(-c3ccc(C)c(C)c3)nc2c1 989591 OHSLLCSZJIMBGI-UHFFFAOYSA-N 422.488 5.451 0 40 HKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC(=O)c3cccs3)cc12 1243551 OHHXSLWQCPVLCC-UHFFFAOYSA-N 422.458 5.566 0 40 HKAB biogenic CCOc1cccc(=Nc2ccccc2N)c2c(C)n(-c3cccc(OC)c3)c(C)c12 1253299 YDCBUJNVTFIYRA-UHFFFAOYSA-N 413.521 5.469 0 40 HKAB COc1ccc(C2=C(CN(C)C)[C@@H](c3ccccc3)c3ccccc3O2)cc1OC 1322649 LZZCQGRDBHQTFA-VWLOTQADSA-N 401.506 5.201 0 40 HKAB biogenic CSc1ccc(Cl)c(C(=O)Nc2ccc(C(=O)NCCc3ccccc3)cc2)c1 1426009 LARIEVUTMXATFT-UHFFFAOYSA-N 424.953 5.287 0 40 HKAB Clc1ccc(-n2cc(-c3ccccc3)c3c(NC[C@@H]4CCCO4)ncnc32)cc1 1447597 FCCCBFZSEVGVMH-IBGZPJMESA-N 404.901 5.332 0 40 HKAB O=C(O)c1cc(-c2ccc(-c3cc(Cl)cc(Cl)c3)o2)nc2ccc(Cl)cc12 1790008 MEJMQCKREVIKIC-UHFFFAOYSA-N 418.663 6.820 0 40 HKAB Cc1c(C(=O)c2ccc(-c3ccccc3)cc2)sc2nc3cc(F)c(F)cc3n12 2049993 GSNYRDKJFOLKTQ-UHFFFAOYSA-N 404.441 6.034 0 40 HKAB CC(C)Sc1nnc2n(C(C)C)c3c(c(=O)n12)C1(CCCCC1)Cc1ccccc1-3 2256312 CFIJVEAVNQIVCK-UHFFFAOYSA-N 422.598 5.397 0 40 HKAB COc1ccc(Cl)cc1C(=O)Oc1c(Cc2ccccc2)c(=O)oc2ccccc12 2449350 VZLKIQJYOMVRBL-UHFFFAOYSA-N 420.848 5.265 0 40 HKAB CN(C)c1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 2713990 NGEJLJXEAFEQOI-UHFFFAOYSA-N 423.495 6.036 0 40 HKAB O=C1N[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)Nc2sc3c(c21)CCCC3 2765513 XFJAHIVEQZANJT-SFHVURJKSA-N 418.440 5.760 0 40 HKAB Fc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCCC6)o2)cc1 2788427 XAGJCEZRVKYTAC-UHFFFAOYSA-N 420.469 5.196 0 40 HKAB Cc1s/c(=N/c2ccccc2)n(-c2ccccc2)c1-c1ccccc1OC(F)F 3197294 RLMAGSRPUMRQGI-WNAAXNPUSA-N 408.473 6.348 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc(Oc2ccccc2)cc1 3210107 IIAUUDZPZSSWAQ-UHFFFAOYSA-N 412.923 6.570 0 40 HKAB Clc1ccc(-c2csc3ncnc(N4CCC(Cc5ccccc5)CC4)c23)cc1 3278364 RAFRCKKLXPAZKN-UHFFFAOYSA-N 419.981 6.471 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1cccnc1)N1C(=N2)C=Cc2ccccc21 3290221 MTKVHKXXVGVPBE-DEOSSOPVSA-N 423.907 5.896 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)/C=C/c2ccccc2Cl)c2ccccc2)c1 3300121 KOKYGMDMQOMAFP-JHUUHBRDSA-N 419.908 5.893 0 40 HKAB Cc1ccc(C(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1C 3357106 CKQAZGIQMGMZOU-UHFFFAOYSA-N 418.562 5.426 0 40 HKAB CCOc1cc(C)c(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1C(C)C 3667688 FBAAIBUMOPVGOP-ZHZULCJRSA-N 400.588 5.250 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC(=O)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 3850216 GVAODFIKHWYQPE-OCIFRHBVSA-N 416.646 5.971 0 40 HKAB Cc1cccc2sc(N(CCN(C)C)C(=O)c3cc(Cl)sc3Cl)nc12 4359230 NHAATQASABMPRV-UHFFFAOYSA-N 414.383 5.181 0 40 HKAB O=c1oc2ccccc2cc1-c1nc(-c2ccc(Sc3ccccc3)cc2)cs1 4784879 NPABUYRPNFNPFI-UHFFFAOYSA-N 413.523 6.735 0 40 HKAB C[C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)N[C@H]1CCCc2ccccc21 5391934 PREQOMJXQRQLBK-ACJLOTCBSA-N 413.930 5.064 0 40 HKAB CSc1nc(N2CCCC2)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4 5477824 ZNAAWPOLJOZXAW-UHFFFAOYSA-N 408.552 5.310 0 40 HKAB Cc1nc2c(-c3ccccc3)c(C)nn2c(Nc2ccc(F)cc2)c1Cc1ccccc1 5532949 LVJHZGWCINRRQJ-UHFFFAOYSA-N 422.507 6.487 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2C)cc1 5713281 BQPFCLUCPGOYGV-UHFFFAOYSA-N 406.869 6.108 0 40 HKAB CN(Cc1cccs1)C(=O)CSc1ncnc2sc(-c3ccccc3)cc12 6114619 DPMZYLQQCZGYOQ-UHFFFAOYSA-N 411.577 5.171 0 40 HKAB COc1cc2c(cc1NC(=O)Cc1ccc(Br)cc1)oc1ccccc12 6453906 GIGQTCHFLMYBOP-UHFFFAOYSA-N 410.267 5.538 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 6656579 VTYCCHWBIAFLDO-UHFFFAOYSA-N 418.472 5.299 0 40 HKAB CCc1nnc(NC(=O)c2ccccc2CSc2nc3ccccc3s2)s1 7347471 ZYTILGBNTXXMGD-UHFFFAOYSA-N 412.565 5.255 0 40 HKAB Cc1ccc(Cl)c2sc(N(CCCn3ccnc3)C(=O)c3cccs3)nc12 7424792 RRSWPZAPFDMXSV-UHFFFAOYSA-N 416.959 5.253 0 40 HKAB CCOc1c(Br)cc(Br)cc1CNC1CCCCCCC1 7523542 GSLAIICQVBFRQS-UHFFFAOYSA-N 419.201 5.813 0 40 HKAB COc1ccc(CNCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 7538277 FRVSZFRKKMRJHD-UHFFFAOYSA-N 402.321 5.871 0 40 HKAB Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1NC(=O)c1cccs1 8189893 KYJHPQCXKVSXFV-UHFFFAOYSA-N 405.306 5.868 0 40 HKAB C[C@@H](NCc1ccccc1OCc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 8243585 KZGQAIGBCVSILJ-VIAIDJOKSA-N 410.001 6.614 0 40 HKAB COc1ccc(N2C[C@H](c3nc4ccccc4n3[C@@H](C)c3ccccc3)CC2=O)cc1 8657326 UHJWVDHATRJQCI-AZUAARDMSA-N 411.505 5.175 0 40 HKAB O=C(O)[C@@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)Nc1cccc2ccccc12 8783139 HRFFRKOABNIECS-RBUKOAKNSA-N 412.898 5.226 0 40 HKAB Cc1ccc(C(=O)C[C@@H](Nc2ccc(Cl)cc2)c2ccc(C(C)(C)C)cc2)cc1 8783304 WKQJINZXJQJNIG-XMMPIXPASA-N 405.969 7.372 0 40 HKAB Clc1cccc(CSc2nc3ccccc3c3nc(-c4cccnc4)nn23)c1 9051660 PDUOXPFTCQNQBN-UHFFFAOYSA-N 403.898 5.285 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(-c4ccccc4F)o3)n2)c1 9253815 MAONRILCCPNWHA-UHFFFAOYSA-N 424.453 5.479 0 40 HKAB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(OC(C)C)cc4)cc3)oc2cc1C 10120342 DKGSRAYENRLWTQ-UHFFFAOYSA-N 414.505 5.829 0 40 HKAB Cc1cccc(C)c1NC(=O)CCCS[C@H](C)C(=O)Nc1ccc(C(C)C)cc1 12877121 NQSYDAFLKJEPFT-LJQANCHMSA-N 412.599 5.906 0 40 HKAB CCOc1ccc([C@@H]2CCCN2CC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 12928348 ULOKERHLXVBTFX-SFHVURJKSA-N 407.341 5.476 0 40 HKAB C[C@@H](Sc1ncnc2sccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1 13165366 MBTJJCMPNGPVRK-OAHLLOKOSA-N 421.547 5.390 0 40 HKAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)C(=O)CC1(CCC(C(C)(C)C)CC1)O2 13629250 YPDUEEAAAZPFDA-UHFFFAOYSA-N 408.538 5.921 0 40 HKAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1nc(-c2cc(F)ccc2F)cs1 14048943 IETWVPYPNIMXKG-UHFFFAOYSA-N 411.433 5.315 0 40 HKAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Br)s1 16047597 CZAPYEDKGXTBHG-UHFFFAOYSA-N 419.087 5.120 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1cc(-c2ccccn2)nc2ccccc12 16740444 JBSLFFOMUHOYFG-UHFFFAOYSA-N 404.267 5.312 0 40 HKAB COc1cc(C2SCCS2)ccc1OC(=O)C(C)(C)Oc1ccc(Cl)cc1 18698974 ODKHOLSRYZMYFV-UHFFFAOYSA-N 424.971 5.590 0 40 HKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3nccc4ccccc34)c2)cc1 19690990 NBELJVMXDLTSTL-RUZDIDTESA-N 423.516 5.591 0 40 HKAB COc1cccc(-c2cccc(CNc3ccc([C@H]4CCc5nncn5C4)cc3)c2)c1 19699167 MXHJVKQGVCKTAO-QHCPKHFHSA-N 410.521 5.296 0 40 HKAB CCc1cc(=O)oc2c3c(ccc12)OCN(CC(c1ccccc1)c1ccccc1)C3 20610054 MLGFXNZEMSMMGD-UHFFFAOYSA-N 411.501 5.339 0 40 HKAB biogenic Cc1nc(-c2ccc(CCNC(=O)CCC(=O)c3ccc(C)c(C)c3)s2)cs1 24539138 YRVUPYZGATVSQP-UHFFFAOYSA-N 412.580 5.119 0 40 HKAB Cc1ccc(-n2c(S[C@@H](C)c3nc(C(C)C)no3)nc3ccccc3c2=O)cc1C 24755962 IAJUYNHFEKTIPN-INIZCTEOSA-N 420.538 5.362 0 40 HKAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)c3c[nH]c4ccccc34)nc2c1 25392339 MHRYXKKEQPVSPI-UHFFFAOYSA-N 424.525 6.367 0 40 HKAB Cc1ccc(OCc2nc(C)c(C(=O)N3CCC[C@@H]3Cc3ccccc3)s2)cc1 25519339 ORDYLQWJGHEOMP-HXUWFJFHSA-N 406.551 5.186 0 40 HKAB CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc1 27345289 VIELWYIXEODCTJ-SABQQLBSSA-N 405.626 6.748 0 40 HKAB CC(C)COc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc1 27584247 NDMZPSYSJZMXGZ-NRFANRHFSA-N 400.588 5.130 0 40 HKAB Cc1cc2oc(C(=O)NC[C@H](c3cccs3)N3CCCC3)c(C)c2cc1Cl 28288053 LDFZVPXLPKGFOP-QGZVFWFLSA-N 402.947 5.331 0 40 HKAB Cc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1cccc(Cl)c1 28527830 GOXOOJJUBQUWHT-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB Cc1ccc(-c2noc(CSCC(=O)N(Cc3ccccc3)C(C)(C)C)n2)cc1 28908277 QZSMRIQZRBQUCC-UHFFFAOYSA-N 409.555 5.106 0 40 HKAB CCCCOc1ccc(NC(=O)c2oc3cc(C)c(C)cc3c2C)c2cccnc12 32623696 JVPHDZJOSQGEKJ-UHFFFAOYSA-N 402.494 6.337 0 40 HKAB CCCN(C(=O)NCc1ccccc1OC)[C@H](C)c1ccccc1Br 36395613 FRXJPMYLRYYJJV-OAHLLOKOSA-N 405.336 5.141 0 40 HKAB C/C=C(\C)[C@@H](O)[C@@H](C)/C=C(\C)C/C=C/C(C)=C/Cc1nc(OC)c(OC)c(O)c1C 40572029 ZQLBCAUKNYXILZ-XOKLFHNXSA-N 415.574 5.457 0 40 HKAB in-vitro CC(C)c1cccc(C(C)C)c1NC(=O)NCCc1cc(F)cc2c1OCOC2 47698600 JJYCDCONSQLFML-UHFFFAOYSA-N 400.494 5.303 0 40 HKAB Fc1ccccc1CN(Cc1cccnc1)Cc1ccccc1OCc1ccccn1 57796870 LQVVSNHQWPPMFU-UHFFFAOYSA-N 413.496 5.397 0 40 HKAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(Cc1cccc(Cl)c1)CO2 61997679 MCUDOHFEKLJKMQ-UHFFFAOYSA-N 417.892 5.774 0 40 HKAB biogenic Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc2cc(F)c(F)cc2s1 95390003 UILHGNJBOFUHJO-UHFFFAOYSA-N 423.803 5.583 0 40 HKAB CC(C)(C)c1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc(C(C)(C)C)c1O 100320660 IEAPIUHPSGCQLV-RGEXLXHISA-N 414.615 5.378 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cccc(F)c4)C3=C(O)C2)cc1 102879392 JZHCSAJBOWBPNJ-WXTAPIANSA-N 414.480 6.463 0 40 HKAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2C(=O)N1Cc1ccc(F)cc1 169616482 JTDNFYAOHPSUBJ-NGSHPTGOSA-N 411.476 5.064 0 40 HKAB Cc1cc(C)nc(Nc2cccc(C(=O)NC(c3ccccc3)c3ccccc3)c2)n1 170564468 KWYFIRKDDSOENR-UHFFFAOYSA-N 408.505 5.356 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccccc1 224087637 NRZDGVQSSNLUAD-UHFFFAOYSA-N 401.384 5.545 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1cc(C)cc(C)c1 224200742 ZPFXNDSSKABZCB-SFHVURJKSA-N 407.485 5.521 0 40 HKAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccc(C(C)(C)C)cc1 224524639 UMYGDINEOBTYNE-UHFFFAOYSA-N 409.570 5.834 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccc(C)c(C)c1 224619273 CJWHFKZVKGVVRB-UHFFFAOYSA-N 403.522 6.150 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1CSc1ccc(C)cc1 224660254 BJGVJHVRLCMFQR-LJQANCHMSA-N 405.563 6.177 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1cccc(CN2CCCCC2)c1 224703017 CCKCHAGTOFJLGJ-UHFFFAOYSA-N 405.369 5.228 0 40 HKAB CCOc1ccccc1NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 225338931 AXPKBQSODHIMMF-UHFFFAOYSA-N 415.518 5.452 0 40 HKAB CCC1(CC)C[C@H](NC(=O)/C(=C/c2ccco2)c2ccccc2)c2ccccc2O1 225717319 POAUQOYCXZUJDP-UCPLLFFYSA-N 401.506 6.019 0 40 HKAB CCOc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cc1 225848654 CDMGSWZCDORMTM-UHFFFAOYSA-N 402.991 5.971 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c(C)c1 225864990 GHJCOZMGYMTMHU-UHFFFAOYSA-N 410.583 5.404 0 40 HKAB Cc1ccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2-c2ccccc2)cc1 252523073 BUQHYQZQSKBTRK-UHFFFAOYSA-N 423.541 5.982 0 40 HKAB CN(C)c1cccc(C(=O)N[C@H]2C(C)(C)[C@@H]3C[C@@H]4[C@@H](c5ccccc5)OCC[C@@]42C3)c1 257227308 FORDYVCYOIMSSA-WICZROIOSA-N 418.581 5.065 0 40 HKAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257273588 NHHFSWJVNFAVCH-OAQYLSRUSA-N 423.875 5.517 0 40 HKAB CC(C)c1ccccc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 408624427 TWLWWNFIEZVTTL-UHFFFAOYSA-N 404.535 5.516 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cccc(Cl)c1Cl 408625549 YMBOJZUSEZOMMS-ZAYGCWILSA-N 420.295 5.390 0 40 HKAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 408681474 WPBAQHDBDMQYNX-IBGZPJMESA-N 412.382 5.509 0 40 HKAB COc1c(Cl)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 409189316 JEDLWOQRIBTMSO-RIYZIHGNSA-N 414.697 5.896 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1 917696 WKENLJGUOFRINR-UHFFFAOYSA-N 412.873 5.326 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1 983461 VXSNJYQHJYYPCY-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB O=C(NC(=S)Nc1ccccc1O)c1ccc(-c2cccc(Cl)c2Cl)o1 1262329 VYAUQYYFHIUHBU-UHFFFAOYSA-N 407.278 5.086 0 40 HKAB Cc1cc2cc(CN(CCc3ccccc3)C(=O)c3cccs3)c(=O)[nH]c2cc1C 1366585 WMQOSTGMTXLQDR-UHFFFAOYSA-N 416.546 5.092 0 40 HKAB CCn1c(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)nnc1C1CC1 1418664 UJXYHYFTWVCRSF-UHFFFAOYSA-N 422.941 5.489 0 40 HKAB O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(/SCc1ccccc1)N1CCCCC1 1640436 JMPXJKIBJJUVFW-JQIJEIRASA-N 407.750 5.737 0 40 HKAB CC(C)(C)c1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc23)cc1 2182599 AJKJMTSXJFXRHO-UHFFFAOYSA-N 410.322 5.607 0 40 HKAB CC1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 2714404 GVOSLOJXZOHVRB-UHFFFAOYSA-N 402.929 5.977 0 40 HKAB CCCCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1 2721637 XORFZRWCTKJVOS-UHFFFAOYSA-N 407.944 5.720 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1nc(-c2cc(Cl)sc2Cl)cs1 3120057 SVYKFOYWJOVAEU-UHFFFAOYSA-N 404.731 6.476 0 40 HKAB O=C(NCc1csc(-c2ccccc2)n1)c1cc(-c2ccccc2)nc2ccccc12 3265689 OWFYJLVZKIEMKN-UHFFFAOYSA-N 421.525 5.955 0 40 HKAB Fc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)c(F)c1 3351323 JEGLSMGPIXMWRE-UHFFFAOYSA-N 413.880 6.158 0 40 HKAB CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc([C@H](C)CC)cc2)cc1 3667551 HWCRCADETHWXDQ-NIYFSFCBSA-N 414.549 6.760 0 40 HKAB CCCC[C@@H](CC)CNC(=O)C[C@@H](C)CC(=O)N(c1ccccc1)c1ccccc1 4681413 OBRIRISTWSJIRV-FGZHOGPDSA-N 408.586 6.100 0 40 HKAB COc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccc(C)cc1 4853478 MZOZULXIJIUNFB-BKUYFWCQSA-N 417.436 5.066 0 40 HKAB CSc1ccccc1C(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C 4993406 RARNGCHPPXTFIN-UHFFFAOYSA-N 401.919 5.163 0 40 HKAB C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)c1nc2ccccc2c(=O)[nH]1 5313057 GJIRWFUGYZDWTN-CQSZACIVSA-N 421.526 5.133 0 40 HKAB CCOc1cc(/C=C2\N=C(c3ccc(CC)cc3)OC2=O)cc(Cl)c1OC(C)C 5674325 MBGNUAVELZCZTO-UNOMPAQXSA-N 413.901 5.433 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1Cl 5942646 USIIDWPRHMBELY-UHFFFAOYSA-N 407.300 6.769 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OCc1ccccc1 6595963 XSLDNGPBRLGXCN-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB CC1CCN(c2oc(-c3ccc(Cl)cc3)nc2S(=O)(=O)c2ccccc2)CC1 6655147 DXMKXOODEFHOAD-UHFFFAOYSA-N 416.930 5.064 0 40 HKAB CC(=O)Nc1ccc(SCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)cc1 7028146 XYFKZWCYGRXMFD-QHCPKHFHSA-N 409.482 5.684 0 40 HKAB O=c1[nH]c(/C(Cl)=C/c2ccc(F)c(F)c2)nc2sc(-c3ccccc3)cc12 7135603 ZZHNOWMIJMLVQD-ZSOIEALJSA-N 400.837 5.667 0 40 HKAB O=C(O)/C(=C/c1c(-c2ccccc2)[nH]c2ccccc12)Sc1nc2ccccc2o1 7603032 DDWLCIDCUCHMHZ-STZFKDTASA-N 412.470 6.194 0 40 HKAB Cc1c(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)oc2ccc(F)cc12 7777925 YCFXWAZBNKHVBI-UHFFFAOYSA-N 416.452 5.105 0 40 HKAB CC(C)[C@H](NC(=O)c1ccc(NC(=O)c2cccs2)cc1)c1nc2ccccc2[nH]1 7990669 PCXJLFRIDSRKOJ-FQEVSTJZSA-N 418.522 5.004 0 40 HKAB Cc1cc(OCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)ccc1C(C)C 8071775 XTDDASTUASNTHV-RUZDIDTESA-N 411.542 5.172 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(C)c1 8336563 IEMCNRZMHRPAAI-UHFFFAOYSA-N 415.445 5.038 0 40 HKAB CCOc1ccc2nc(N(Cc3ccncc3)C(=O)/C=C/c3cccs3)sc2c1 10254301 FXDORVLDCWRMIZ-SOFGYWHQSA-N 421.547 5.398 0 40 HKAB O=C(/C=C/c1cccs1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 12641570 QYKQNNTUYKGKJY-VAWYXSNFSA-N 413.930 5.436 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 12745143 QZPKDGAQZZBPEH-UHFFFAOYSA-N 420.484 6.249 0 40 HKAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1c(Cl)cccc1Cl 12758947 DIMCMJTZZSZHJL-OAQYLSRUSA-N 417.361 5.641 0 40 HKAB Cc1ccc2c(C)c(CCC(=O)Nc3ccc(Br)cc3C)c(=O)oc2c1 12773283 YRYOMDJXHWBZLX-UHFFFAOYSA-N 414.299 5.052 0 40 HKAB O=C(CSc1nc2ccccc2o1)N1CCCC[C@@H]1c1nc2ccccc2s1 12864900 HZBMZRYVCCMAGB-MRXNPFEDSA-N 409.536 5.283 0 40 HKAB O=C(CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2)Nc1nccs1 14461854 YGYZOAQEIJEMIU-UHFFFAOYSA-N 402.500 5.239 0 40 HKAB CCN(CC)c1ccc(NC(=O)COc2ccc(Br)cc2C(C)C)cc1 14831724 JUAGYLGNRLOKOP-UHFFFAOYSA-N 419.363 5.436 0 40 HKAB COc1ccc2c(C(F)(F)F)cc(SCC(=O)c3ccc(Cl)s3)nc2c1 16227848 RJRFLLVBNRWOLM-UHFFFAOYSA-N 417.861 5.952 0 40 HKAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(-c2cccc(F)c2)o1 16347620 ZSYVYHNXAXFPOQ-UHFFFAOYSA-N 413.408 5.850 0 40 HKAB Cc1ccc(-c2cc(-c3ccc(C)cc3C)n(-c3ccc(C)c(Cl)c3)n2)c(C)c1 17082110 APHHWVYYXQEFIU-UHFFFAOYSA-N 400.953 7.402 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 17093382 HXEUDAACUISYSS-UHFFFAOYSA-N 422.937 6.656 0 40 HKAB Cc1ccc2oc(-c3ccc(C(C)C)cc3)c/c(=N\[C@H](C(=O)O)c3ccccc3)c2c1 19911703 DGLZJVRRKRIOOI-DTDJFFANSA-N 411.501 6.258 0 40 HKAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2cccc(Br)c2)n1 19929212 KVOUQIHICZICJO-UHFFFAOYSA-N 410.724 5.189 0 40 HKAB COc1ccc([C@H](NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)C(C)C)cc1 21468216 SVLMRHWITQWFCB-RUZDIDTESA-N 406.526 5.413 0 40 HKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(OC(C)C)cc4)c3)oc2cc1C 21578580 DEGMIJAXSASDIJ-UHFFFAOYSA-N 414.505 6.460 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1ccccc1F)CC2 23335058 QQFCYDPWKNWMBE-QHCPKHFHSA-N 406.457 5.023 0 40 HKAB CC(C)(C)c1noc(CSc2ncnc3scc(-c4ccc(F)cc4)c23)n1 24046121 ZMQPQCUBSACNTR-UHFFFAOYSA-N 400.504 5.470 0 40 HKAB COc1ccc([C@H]2CCCCCN2C(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 24837772 OZJPRUMSAPQZSG-JOCHJYFZSA-N 422.500 5.566 0 40 HKAB CCOc1ccc([C@@H]2CN(Cc3ccccc3)CC[C@@H]2NCc2ccccc2)cc1 26440558 MENHDFSNXLOASS-SVBPBHIXSA-N 400.566 5.233 0 40 HKAB C[C@@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 30943806 WSZGZJNYFSXDJA-KRWDZBQOSA-N 419.396 5.343 0 40 HKAB COc1ccc(-c2nnc(SCc3noc(C)n3)n2-c2ccccc2C(C)C)cc1 31634886 IIDDIEKNFVFNLA-UHFFFAOYSA-N 421.526 5.050 0 40 HKAB O=C(CSC(c1ccccc1)c1ccccc1)N[C@@H](c1ccccc1)c1ccccn1 36714787 ZPZNUYXQYNCZAK-SANMLTNESA-N 424.569 5.810 0 40 HKAB Cc1cc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)c2nc3n(c2n1)CCCCC3 40050946 VTSISHHFCXOZFW-UHFFFAOYSA-N 417.538 5.150 0 40 HKAB CC(C)c1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 57315757 UQVMUPUDSOZNJF-JLHYYAGUSA-N 406.507 5.302 0 40 HKAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCc2sccc2[C@@H]1c1ccccc1 58344445 UKBUEVJNDIZPDB-NRFANRHFSA-N 401.453 5.484 0 40 HKAB Clc1ccc(COc2ccc([C@@H]3NN=C(c4ccccc4)S3)cc2)cc1Cl 59409054 ZDSHYNQYRTZVGY-OAQYLSRUSA-N 415.345 6.269 0 40 HKAB CC(C)OC(=O)/C=C/c1cc(Br)ccc1OCc1ccccc1Cl 62715852 IVNLQXDQOXFRQA-JXMROGBWSA-N 409.707 5.646 0 40 HKAB CSc1nnc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)s1 65691935 WENRXDWPYWOCIK-UHFFFAOYSA-N 409.565 5.071 0 40 HKAB O=C(Nc1nccs1)c1cc2cc(Cl)ccc2o/c1=N\c1ccccc1Cl 67294960 USEALBGEMFDAPH-NKFKGCMQSA-N 416.289 5.681 0 40 HKAB CC(C)N1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215702 OUSAIQCYNGJIPJ-OAQYLSRUSA-N 401.595 6.091 0 40 HKAB Cc1ccc(-c2cnc(CCC(=O)N3CCCCC[C@H]3[C@@H]3CCCCC3=O)o2)cc1 79066658 LBMGXKCVHZKJJW-SFTDATJTSA-N 408.542 5.113 0 40 HKAB CCOc1cc(C=O)c(Br)cc1OCc1c(Cl)cccc1Cl 95094991 HMKVWFUHLOCJSG-UHFFFAOYSA-N 404.087 5.546 0 40 HKAB Clc1cccc(Cl)c1C1N(Cc2ccccc2)CCCN1Cc1ccccc1 96523219 DPAVZAAEAGCNQU-UHFFFAOYSA-N 411.376 6.400 0 40 HKAB CCCCCOC(=O)c1cccc(N2C(=O)[C@H]3C[C@@H](c4ccccc4)CC[C@H]3C2=O)c1 97944587 FMWOIJKYVCOUMP-PMOQBDJRSA-N 419.521 5.107 0 40 HKAB CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2C[C@H]1[C@H]1C(=O)CCC(=O)[C@H]13 105366998 JPGGQHZUOUAFHK-CARFCOIESA-N 412.570 5.060 0 40 HKAB biogenic O=C(c1c(F)cccc1Cl)N1CCC(COc2nc3ccccc3s2)CC1 206599995 PLAICHAKVMHSMW-UHFFFAOYSA-N 404.894 5.020 0 40 HKAB COc1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1OC 214787372 LOKFYDURIGXOPS-RQZCQDPDSA-N 424.305 5.247 0 40 HKAB Cc1nc(C)c(-c2cc(C(=O)OCC(=O)c3ccc(F)cc3)c3ccccc3n2)s1 215696176 SRJSZXYGNUVKTB-UHFFFAOYSA-N 420.465 5.154 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3c(OC)ccc4ccc(OC)cc34)N21 222652367 TUBNMWJDQIQYRE-ZGNKEGEESA-N 419.550 5.231 0 40 HKAB C[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 222908815 KCALWKVWJJRAIP-HNNXBMFYSA-N 418.400 5.439 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NCCSCc2ccccc2Cl)c(C)c1 225296955 OBOUAJBZUUDWQH-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB CCCOC1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OC)c2)CCCCCC1 225852435 HMJYZZMDZOQNRT-KRWDZBQOSA-N 405.535 5.109 0 40 HKAB Cc1cccc([C@H](NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)c1 225873373 PEWUSLZSOPRFJZ-QFQXNSOFSA-N 401.550 6.100 0 40 HKAB CCCN(CCC)c1ccc(N)cc1C(=O)Nc1c(C)cc(Br)cc1C 226324323 VXSJZZHRUNZHIB-UHFFFAOYSA-N 418.379 5.527 0 40 HKAB CCc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@H](c2ccccc2)N3)cc1 250514701 MTLYDWYLYWTAMD-BUFOOBCNSA-N 422.572 6.798 0 40 HKAB CO[C@@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@@H]2CC[C@]3(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]3[C@@H]12 257350287 WCLAESSRAKSOIR-HIDBRNDSSA-N 416.690 7.014 0 40 HKAB COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)n2)cc1 408573048 LIUBFDDTPYZODZ-WYMLVPIESA-N 402.475 5.731 0 40 HKAB O=C(O)c1cccc(NCc2c(OCc3ccccc3Cl)ccc3ccccc23)c1 408611069 PZEOJQVPLCENEO-UHFFFAOYSA-N 417.892 6.383 0 40 HKAB COc1cc(CNc2cccc(C(=O)O)c2)ccc1OCc1cccc2ccccc12 408611642 QLLKXGBLBTUBBZ-UHFFFAOYSA-N 413.473 5.738 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)cc1)c1ccccc1 409112387 FYZFGCFPDZBYDM-INIZCTEOSA-N 424.953 5.562 0 40 HKAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cccc4ccccc34)C2=O)c1 409366646 TXFDAAYRLAMNNN-FYJGNVAPSA-N 416.502 5.132 0 40 HKAB COC(=O)C1=C(C)Nc2nc3cc(C)c(C)cc3n2[C@H]1c1cccc(Cl)c1Cl 628577 PONHDYXUIBCYPM-IBGZPJMESA-N 416.308 5.422 0 40 HKAB COc1ccc(C(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1 649624 WHIBYNFPBRJNRM-UHFFFAOYSA-N 401.409 6.157 0 40 HKAB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)cc1Cl 854642 ZEMWGIWFXXRHLC-ZQFKLAOWSA-N 413.904 5.219 0 40 HKAB CCOc1cc(NC(=O)C2CCCCC2)c(OCC)cc1NC(=O)C1CCCCC1 881488 PIDYBWBAXLYBHO-UHFFFAOYSA-N 416.562 5.522 0 40 HKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n3nc(-c4ccccc4)cc3n2)cc1 986940 PWAIOTDWSQMXGI-UHFFFAOYSA-N 407.473 5.748 0 40 HKAB Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 1047489 SUXIWSOMOJFJPA-UHFFFAOYSA-N 414.962 5.164 0 40 HKAB Cc1nc(SCC(=O)Nc2cccc(C)c2C)c2c3c(sc2n1)C[C@H](C)CC3 1326139 XBNNANVTVCDMFL-GFCCVEGCSA-N 411.596 5.472 0 40 HKAB COc1ccc(-c2nc3ncccc3n2OCc2ccc(Cl)cc2Cl)cc1 1400226 KMYDWBFKYIUKDZ-UHFFFAOYSA-N 400.265 5.043 0 40 HKAB COc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 1447569 DKEORSZIBNIVQV-UHFFFAOYSA-N 406.489 6.148 0 40 HKAB O=C(NC[C@@H](SCc1ccccc1)c1ccccc1)c1cc(F)c(F)cc1Cl 2336559 GDZAQFUXJPLBBD-OAQYLSRUSA-N 417.908 6.023 0 40 HKAB O=C(Nc1nc2ccc(F)cc2s1)c1cccc(-c2cc3ccccc3oc2=O)c1 2400951 QKBXXFIHGWLJJN-UHFFFAOYSA-N 416.433 5.461 0 40 HKAB CC(C)c1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2440813 HNLUGXCKFNPGFD-QFIPXVFZSA-N 417.436 5.394 0 40 HKAB CCCCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccc(OC)cc1 2621488 RZKIFXIRMMQELA-UHFFFAOYSA-N 421.526 5.096 0 40 HKAB CCCN(CCC)C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 3192740 QWFIEAOOLWYDES-NRFANRHFSA-N 410.385 5.582 0 40 HKAB CC(C)N1C=C(C(C)(C)C)O[C@@]12c1ccccc1-c1n(C(C)C)cc(C(C)(C)C)[n+]12 3218830 PQPYVVBMHQOHON-SANMLTNESA-N 408.610 5.921 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](NC1CCCCC1)c1ccccc1 3352778 KBAVGWYKFOUHMU-IBGZPJMESA-N 410.867 5.961 0 40 HKAB CCOC(=O)c1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccccc1 4031739 ACWPLRMTUOBOBY-UHFFFAOYSA-N 410.539 5.142 0 40 HKAB Cc1cccc(Cn2cc(SCC(=O)NCc3ccccc3)c3ccccc32)c1 4060811 VTBTXWHHUVRPGY-UHFFFAOYSA-N 400.547 5.407 0 40 HKAB Cc1cc(-c2nc3cccnc3s2)ccc1NC(=O)c1cc2ccccc2oc1=O 4063072 RXTHYNUZDGGDQU-UHFFFAOYSA-N 413.458 5.025 0 40 HKAB Cc1cccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCCCC3)c1 4539556 CNIRVGDJZYJIJC-UHFFFAOYSA-N 418.562 5.759 0 40 HKAB Fc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccs4)=NN32)cc1F 4715906 CBIKFGOZVOXVKJ-YLJYHZDGSA-N 402.853 5.922 0 40 HKAB COc1ccccc1[C@H]1C(C(=O)OC2CCCCC2)=C(C)Nc2nc3ccccc3n21 4767896 DFMZIOKBYICAGQ-QHCPKHFHSA-N 417.509 5.210 0 40 HKAB CC[C@H](C)Sc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 4875263 DQPFPZVWKLSKHR-LBPRGKRZSA-N 409.479 5.343 0 40 HKAB COc1cccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)c2ccccc2F)c1OC 4925053 RFXNDHOQELACNA-JOCHJYFZSA-N 418.468 5.143 0 40 HKAB CCC(=O)N(CC[C@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)Cc1ccco1 5298097 VNZZWEWGPARYJZ-XMMPIXPASA-N 417.977 5.880 0 40 HKAB CC(C)(C)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 5519716 KGTZBWAHQDLPEJ-PEZBUJJGSA-N 403.478 5.477 0 40 HKAB Nc1c(C(=O)c2ccc(Cl)cc2Cl)sc2nc3c(cc12)CCCCCC3 6276468 BQXAHHRRIMTZCN-UHFFFAOYSA-N 405.350 6.075 0 40 HKAB CCOc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCc1ccc(F)cc1 6355081 DJRSSVWTEVYIQY-OEAKJJBVSA-N 406.478 6.133 0 40 HKAB O=C(c1ccc(C(F)(F)F)cc1)N(C1CC1)C1(C(=O)Nc2ccccc2)CCCC1 6475556 ASPLVLZDSPGABX-UHFFFAOYSA-N 416.443 5.262 0 40 HKAB O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccccc1Sc1ccccc1 6637687 PQPSXKFXVYTWPU-UHFFFAOYSA-N 416.590 5.731 0 40 HKAB CC1CCN(C(=O)[C@@H](C)Sc2nnc(Nc3ccc(C(C)C)cc3)s2)CC1 6788204 FILIOEJZLKHRQC-OAHLLOKOSA-N 404.605 5.144 0 40 HKAB c1csc(-c2nnc(SCc3nc4ccccc4s3)n2C[C@H]2CCCO2)c1 6849747 RBJOWTJJUPYQNU-CYBMUJFWSA-N 414.581 5.088 0 40 HKAB Cc1nnc2c(NC3CCCCCCC3)nc3ccc(C(=O)c4ccccc4)cc3n12 6901730 UVHYNHSAVIEPGS-UHFFFAOYSA-N 413.525 5.342 0 40 HKAB Cc1ccc(-c2noc(CN(C)C(=O)CC(c3ccccc3)c3ccccc3)n2)cc1 7759772 DJNTZHKXFNHRCI-UHFFFAOYSA-N 411.505 5.226 0 40 HKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(N(C)Cc4ccccc4)ncnc32)c1 8415059 XUEQTZVCQWONIX-UHFFFAOYSA-N 404.517 6.032 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)N[C@@H](c1ccc(C)c(C)c1)O2 8437878 FJSXKNCFFDBTIA-HHHXNRCGSA-N 424.500 6.221 0 40 HKAB Cc1ccc(C(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)cc1 9250071 QUZUUXNFKHWQFF-UHFFFAOYSA-N 404.535 5.543 0 40 HKAB CC(C)C(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccccc21 9553699 FTCWKSGDHXCEMZ-CJFMBICVSA-N 412.533 5.856 0 40 HKAB Cc1cc(Cl)cc2sc(N(Cc3ccccn3)C(=O)CCc3ccccc3)nc12 10020811 IVQWCYARSSVKNK-UHFFFAOYSA-N 421.953 5.819 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)cc1 10330911 OQJHWIGKMLOCBI-UHFFFAOYSA-N 421.924 5.886 0 40 HKAB COc1ccc2cc(CN[C@@H](Cc3ccccc3)c3ccccc3)c(Cl)nc2c1 12858721 XYXHUBNVTVBRSC-QHCPKHFHSA-N 402.925 5.970 0 40 HKAB Brc1cccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)c1 13281841 WZLVCISSPFGIIY-UHFFFAOYSA-N 407.296 5.460 0 40 HKAB Cc1ccc(C)c(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c1 13563538 PWYBDJBJBDXVMU-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB Cc1ccc(C(=O)[C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN23)cc1 13616354 HYFDAIRVJVJFRB-ZJSXRUAMSA-N 402.881 5.401 0 40 HKAB Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2nc(-c3ccc(F)cc3)cn12 15786524 HNCHISPRRFZATI-UHFFFAOYSA-N 419.403 5.781 0 40 HKAB CCc1ccccc1NC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCC2 16157427 HPVCXFYJSQAWMJ-UHFFFAOYSA-N 424.953 5.957 0 40 HKAB Brc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 16183687 JTDKJIREQPKEGN-UHFFFAOYSA-N 423.339 5.384 0 40 HKAB Cc1ccc(C)c2sc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)nc12 17088137 AEDSHZATGFBNEX-ZRDIBKRKSA-N 408.910 6.478 0 40 HKAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2cn(C)nc2C)nc2ccccc12 19716416 YTUYKRLQMMUMKX-XMMPIXPASA-N 416.500 5.306 0 40 HKAB Cc1c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cccc1C(=O)O 20150887 YGEDHPWXOZOGML-JXMROGBWSA-N 416.260 5.912 0 40 HKAB O=C(Nc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1)c1ccco1 23190944 ZJZYXPADYFUVNB-UHFFFAOYSA-N 424.887 7.068 0 40 HKAB CCCOP(=O)(OCCC)[C@H](NC(=O)C(Cl)(Cl)Cl)c1ccccc1 26779852 FKQIKVGJIUVMRG-ZDUSSCGKSA-N 416.669 5.218 0 40 HKAB Clc1cccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCCC3)n2)c1 27546237 VCCCSRWMUWCXFF-UHFFFAOYSA-N 401.301 5.266 0 40 HKAB CCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 27992148 VVVFOTZHKPPRRN-NRFANRHFSA-N 418.924 5.782 0 40 HKAB CC(=O)c1cccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)c1 28272689 MUBLCUBZZAAYPI-UHFFFAOYSA-N 401.491 5.082 0 40 HKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCc1csc(-c2ccccc2)n1 28293787 CUUPLVWOBLZGTH-KRWDZBQOSA-N 408.567 5.234 0 40 HKAB O=C(NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1)c1cc2ccccc2o1 32127173 OAUIORRLLYHHQC-UHFFFAOYSA-N 422.318 5.476 0 40 HKAB CC(C)Cc1ccc([C@@H](NCc2nc(O)c3oc4ccccc4c3n2)C(C)C)cc1 32759981 WDLFUDPHZVVIJG-QFIPXVFZSA-N 403.526 5.767 0 40 HKAB COc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccc(Cl)c(Cl)c1 34868727 XODQCFDEEYUFHW-UHFFFAOYSA-N 424.393 5.988 0 40 HKAB Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1 35313967 GLNKHBADIPZUHN-UHFFFAOYSA-N 412.533 5.195 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 36717997 LVXMJDYHXPRHJU-UHFFFAOYSA-N 409.982 6.441 0 40 HKAB O=C(Nc1cccc2ccccc12)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38834058 LERISMKGCVTKFB-SFHVURJKSA-N 413.348 5.997 0 40 HKAB CCc1nn2c(ncc3c(=O)n(C4CCCCC4)ccc32)c1-c1ccc(Cl)cc1 40397451 JROBDKAAAJMVOB-UHFFFAOYSA-N 406.917 5.432 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c(CN2CCN(c3ccc(F)cc3)CC2)c1C 54105769 SJYVUQCMFVXLRS-UHFFFAOYSA-N 423.557 5.079 0 40 HKAB Cc1ccc2cc(CN(C(=O)NC3CCCCC3)C3CCCCC3)c(=O)[nH]c2c1C 57581573 BZGBDCUGKLEAOI-UHFFFAOYSA-N 409.574 5.322 0 40 HKAB COCc1nccc([C@H]2CCCN(C(=O)c3cc4sc5ccccc5c4s3)C2)n1 58196155 TZYNDSWNISCJGG-AWEZNQCLSA-N 423.563 5.072 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cnc(C(C)(C)C)nc1 64328316 VWBOYGOJDBMWNZ-UHFFFAOYSA-N 405.285 5.297 0 40 HKAB Cc1nc(NCCc2ccccc2)sc1C(=O)NCc1ccccc1C(F)(F)F 71326496 JGVFYDSCBVUCDA-UHFFFAOYSA-N 419.472 5.055 0 40 HKAB O=c1c2sccc2nc(SCc2ccc(Cl)cc2)n1Cc1ccc(F)cc1 71768729 QVIKUQSCIWARCR-UHFFFAOYSA-N 416.930 5.591 0 40 HKAB CC1(C)[C@H]2C[C@](C)(NC(=O)OCC3c4ccccc4-c4ccccc43)[C@H](C(=O)O)C[C@H]21 72481837 CQIJGQLLPQKSSM-QILISPFLSA-N 419.521 5.051 0 40 HKAB Cc1nc(CNC(=O)/C=C/c2nc3ccccc3s2)oc1-c1ccc(Cl)cc1 79074091 XPDCGZCMZUJALW-ZHACJKMWSA-N 409.898 5.243 0 40 HKAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)CCC3CCCC3)CC2)on1 100743601 DIBQWVWNUITVQE-BGYRXZFFSA-N 410.562 5.109 0 40 HKAB OC1=C2C(=Nc3ccccc3S[C@H]2c2ccc(-c3ccccc3)cc2)c2ccccc21 101424507 BUEOJDXJNGCNTA-NDEPHWFRSA-N 417.533 7.604 0 40 HKAB CC(C)(C)[C@H]1CCc2onc(C(=O)NCCOc3ccc(-c4ccccc4)cc3)c2C1 141544668 CWOSHKAYCYWSDH-FQEVSTJZSA-N 418.537 5.301 0 40 HKAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)C[C@@H]2NC(=O)OCC1c2ccccc2-c2ccccc21 217615909 CAJUEVWERQYXKM-BYXVTNLJSA-N 419.521 5.195 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccccc1CCc1ccccc1 219006301 HYKOSWRRESFYHX-XMMPIXPASA-N 415.533 5.513 0 40 HKAB Cc1cc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)ncc1Cl 223996566 ZILJSDDKZMSYGW-UHFFFAOYSA-N 408.398 5.885 0 40 HKAB Cc1ccccc1CN(C(=O)CCc1ccc(C(C)C)cc1)[C@@H](C)C(=O)NCC(C)C 224136999 ZAQCQPCDKKIREK-QFIPXVFZSA-N 422.613 5.241 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3ccc(C)cc3)c2)cc1 224468578 NGKRJDCEPQXAIX-UHFFFAOYSA-N 405.494 5.624 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1CSc1ccccc1 224653698 LVPJQMKVJXMSDG-UHFFFAOYSA-N 407.491 5.359 0 40 HKAB CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(Cl)cc1 224712953 IYLCBSZCJVVAGZ-UHFFFAOYSA-N 415.986 5.633 0 40 HKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225485312 JDXLCASORSLUEE-SQJMNOBHSA-N 422.613 5.465 0 40 HKAB CN1C(=O)C2(c3ccccc31)c1ccc3ccccc3c1Oc1c2ccc2ccccc12 226762197 YGKQXBTXKDKBIK-UHFFFAOYSA-N 413.476 6.410 0 40 HKAB COc1cc([C@H]2C[C@](C)(NC(=O)C(C)C)C[C@@H](c3cccc(Cl)c3)O2)ccc1F 257317743 VKYCMYAHOKQLPG-QZNHQXDQSA-N 419.924 5.611 0 40 HKAB O=S(=O)(c1ccccc1)N(Cc1c(Cl)cccc1Cl)c1cccc(F)c1 408625314 JMPYPUFXBWRFKJ-UHFFFAOYSA-N 410.297 5.528 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1 409372137 YCQFYIMUVVMJCF-UHFFFAOYSA-N 418.537 5.504 0 40 HKAB COc1cccc(NC(=O)[C@H](Sc2nc3cc(C)ccc3o2)c2ccccc2)c1 504533943 PGSJODBEJHXINN-OAQYLSRUSA-N 404.491 5.617 0 40 HKAB O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCS[C@@H]1c1ccccc1Cl 585464075 OXUGAJAHSJBQRO-OAHLLOKOSA-N 402.825 5.518 0 40 HKAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 2037845913 HOLLFAATEQLWNO-JOCHJYFZSA-N 421.447 5.392 0 40 HKAB Cc1ccc(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)cc1C 707121 BWGFYZKEPHCVEU-RUZDIDTESA-N 414.549 5.215 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc2c1 864717 ATPTZLQEYKANML-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB Cc1ccc2[nH]c(=O)c(-c3nc4ccc(C)cn4c3NCc3ccc(F)cc3)cc2c1 1330236 VSSKUFBKIZDXQC-UHFFFAOYSA-N 412.468 5.211 0 40 HKAB Cc1c(OCc2ccc(Cl)cc2Cl)c(C(F)(F)F)nn1-c1ccccc1 1396712 XURXNBNMWKFZEP-UHFFFAOYSA-N 401.215 6.085 0 40 HKAB CC(C)CC(=O)Nc1cc(C(F)(F)F)cn(Cc2c(Cl)cccc2Cl)c1=O 1400113 FIRXADVSUWFMER-UHFFFAOYSA-N 421.246 5.207 0 40 HKAB CCCCCCOc1ccccc1/C=C1\N=C(c2ccc(C(C)(C)C)cc2)OC1=O 2186783 GQUHIESTXUCGFW-PYCFMQQDSA-N 405.538 6.288 0 40 HKAB Cc1ccc(N2C(=O)C[C@]3(CC4c5ccccc5C3c3ccccc34)C2=O)cc1Cl 2411810 LTTQAAIXSVAINP-QVKCHMKDSA-N 413.904 5.579 0 40 HKAB Cc1ccc(-n2c(SCC(=O)N3CCCC[C@@H]3C)nnc2-c2ccccc2)cc1C 2622955 RBTKLKGTRCUZBY-IBGZPJMESA-N 420.582 5.044 0 40 HKAB COc1ccc2cc([C@@H](C)C(=O)OCC(=O)Nc3cccc4ccccc34)ccc2c1 2783754 DPKKMPYXHBNCKY-QGZVFWFLSA-N 413.473 5.287 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(Nc3cccc4cnccc34)sc2Cl)cc1 3229846 CYZJHVULFZUNBM-UHFFFAOYSA-N 415.927 5.230 0 40 HKAB CCc1cccc(CC)c1NC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 3263459 LJXGWEKODGAZMG-UHFFFAOYSA-N 415.489 5.231 0 40 HKAB Cc1ccc(NC(=O)COC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 3325428 RLUBROVYNNFYBI-UHFFFAOYSA-N 408.504 5.129 0 40 HKAB Cc1cc(C(=O)Nc2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2)c(C)o1 3406750 JWXXEXVEKIKKOC-UHFFFAOYSA-N 410.429 5.103 0 40 HKAB O=c1c2c(nc(SCc3ccc(Cl)cc3)n1CCc1ccccc1)CCS2 4358800 LYGSCYSUPSDSDS-UHFFFAOYSA-N 414.983 5.080 0 40 HKAB O=[P@](Cc1ccccc1)(c1ccccc1)N(Cc1cccs1)C[C@@H]1CCCO1 4547887 NMXUPUYCUFRXLZ-KDYSTLNUSA-N 411.507 5.533 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)c1cc(Br)ccc1Br 4666518 DQLKLTSUQJXETG-NSHDSACASA-N 411.137 5.977 0 40 HKAB COc1ccc(CCN(C/C=C/c2ccccc2)C/C=C/c2ccccc2)cc1OC 4699199 DGMKTUPPIQWSRM-KAVGSWPWSA-N 413.561 5.975 0 40 HKAB O=C1c2ccccc2[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1Cc1ccco1 4778869 VHYXHXYFVGMLNZ-AREMUKBSSA-N 404.469 6.173 0 40 HKAB Cc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Br)cc2)cc1 4854383 BFLRHJAPFLTQHP-HXUWFJFHSA-N 410.315 5.196 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1 6778587 MIYYXTIRUWDAKN-UHFFFAOYSA-N 414.505 6.543 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 7080170 KNANXGPPUSPTIF-AWEZNQCLSA-N 400.931 5.995 0 40 HKAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCc1nc2ccccc2s1 7990421 FYHUJMZYUAVUBY-UHFFFAOYSA-N 410.926 5.801 0 40 HKAB CCOc1cc(CNCC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 8254022 BWBARGAJFGMDKN-UHFFFAOYSA-N 416.776 6.370 0 40 HKAB Cc1coc2c(C)c3oc(=O)c(CC(=O)NCCc4ccc(Cl)cc4)c(C)c3cc12 8612895 WOXNQUZJAACZNG-UHFFFAOYSA-N 423.896 5.019 0 40 HKAB Cc1ccc(-c2nc(CC(=O)NCCc3ccc(C(F)(F)F)cc3)cs2)cc1 8749152 WCKQJADSVISLPI-UHFFFAOYSA-N 404.457 5.039 0 40 HKAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Cl)cc1Cl 9274879 NSQCKDDLHBTCPF-UHFFFAOYSA-N 403.052 5.603 0 40 HKAB CCCCN1C(=O)c2ccccc2[C@H]1c1c(-c2cccc(OC)c2)[nH]c2ccccc12 9355578 RZDFJHIQCPXXJO-SANMLTNESA-N 410.517 6.189 0 40 HKAB COc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 9446221 YATCMDFVJGMNEY-UHFFFAOYSA-N 420.559 6.165 0 40 HKAB Cc1cccc(-c2nnc(CSc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)o2)c1 9536359 WQCZNBFXTHUFGA-ZDUSSCGKSA-N 424.551 5.574 0 40 HKAB OCCn1c(CSCc2ccccc2C(F)(F)F)nc2ccc(Cl)cc21 9915541 DBRCHXCYUQCXLG-UHFFFAOYSA-N 400.853 5.134 0 40 HKAB C[C@@H](NC(=O)c1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1)c1ccccc1 12401941 GAJKSSYRPJHBHN-HXUWFJFHSA-N 422.528 6.016 0 40 HKAB COc1cccc(-c2cc(C(F)(F)F)n3ncc(-c4cccc(Cl)c4)c3n2)c1 12843927 ZRCXUOGWDBKXMR-UHFFFAOYSA-N 403.791 5.744 0 40 HKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)c1 13786627 LUEKYPPVXZMBGD-IBGZPJMESA-N 415.924 5.567 0 40 HKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 13999719 QJTFGYTXZGUNBP-CVDCTZTESA-N 416.521 5.282 0 40 HKAB O=c1nc2n(c3ccccc13)[C@H](c1ccccc1)[C@H](Sc1ccccc1)CS2 16779189 IFVWUTLPCSOGGZ-NHCUHLMSSA-N 402.544 5.253 0 40 HKAB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(-c2ccccc2)cc1 17094159 IKFIOCDJPKCUQG-UHFFFAOYSA-N 424.891 5.993 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1OCC 20038862 MTMTVJTXRVGVQF-WOJBJXKFSA-N 424.585 5.207 0 40 HKAB Cc1nc(COc2ccccc2/C=C/C(=O)N(C)[C@H]2CCCc3ccccc32)cs1 21440427 OWDQDBAVPYHCSO-NSFRLNINSA-N 418.562 5.580 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 22512015 NTVYCDBTZOEEMG-GOSISDBHSA-N 407.819 6.308 0 40 HKAB Cn1c(COc2ccccc2Cl)nnc1SCc1ccc(Cl)cc1Cl 22529061 OABSYFHHIGMNBE-UHFFFAOYSA-N 414.745 5.647 0 40 HKAB COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc1OC(F)F 23987083 ACCARGKSMANBON-WYMLVPIESA-N 420.415 5.166 0 40 HKAB Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 24692549 MZQQKZAUXXWTEP-IBGZPJMESA-N 423.438 5.452 0 40 HKAB C[C@@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccc(C(F)(F)F)cc1 29241253 NZBHVBQNTARVPE-GFCCVEGCSA-N 424.875 5.902 0 40 HKAB O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1coc(Br)c1 31183565 VGDAYKKCIIRJML-UHFFFAOYSA-N 417.206 5.437 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1N1CCCC1 33615109 INBVGNPFHIXVFP-GFCCVEGCSA-N 413.732 5.653 0 40 HKAB O=C1C[C@@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)c(Cl)c1 36635910 JWYVTDOMLJRTNT-CQSZACIVSA-N 404.080 5.044 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](C)Nc1ccc(OC)c(-c2ccc(OC)cc2)c1 40002637 DLHVLJKNRGXWIG-KRWDZBQOSA-N 420.509 5.209 0 40 HKAB C[C@@H](NC(=O)Nc1cccc(NC(=O)c2ccco2)c1)c1ccc(Cl)cc1Cl 40104441 ZDPLWGKRWUGPGR-GFCCVEGCSA-N 418.280 5.721 0 40 HKAB Cc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 41076861 VWEZROSOQWRNHX-UHFFFAOYSA-N 406.482 5.230 0 40 HKAB COc1cc(Cl)cc2cc(/C=C/C(=O)NC(c3ccccc3)c3ccccc3)oc12 67339957 WDVZICKFOQPXFV-OUKQBFOZSA-N 417.892 6.014 0 40 HKAB CCn1ccnc1CN1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72358239 RTYQBQJZQXCSTB-NRFANRHFSA-N 414.475 5.245 0 40 HKAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4scnc4C)C3)c(-c3ccncc3)c2c1 72396643 XQVXNIQGONRGMG-GOSISDBHSA-N 416.550 5.323 0 40 HKAB Cc1c(Br)c(N)c(Br)c2nc(-c3ccccc3F)oc12 73639504 TZGXYXCUUUPRLB-UHFFFAOYSA-N 400.045 5.050 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)C(c1ccccc1)c1ccccc1 98073341 ATASEGIGGRPCAP-UHFFFAOYSA-N 423.356 6.495 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@H](c4ccsc4)C3=C(O)C2)cc1OC 102737968 WIXPAIRCLDFMJA-VFNWGFHPSA-N 422.506 5.669 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)NCCSCc2c(F)cccc2Cl)cc1 218929479 CWMVBJRYVOZVPG-UHFFFAOYSA-N 409.954 5.205 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1cccc(Cl)c1 222911806 FQLWOQQBSHTECO-OAQYLSRUSA-N 420.018 5.845 0 40 HKAB Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 223361272 KIAJWGMHXSEIGE-VXKWHMMOSA-N 419.481 5.246 0 40 HKAB Cc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223972831 AFBRTNBBAOOXJY-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccccc1C(C)C 224565021 WDMNQCYSCYKDNX-UHFFFAOYSA-N 423.940 6.693 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCC[C@@H]4C)cc3)CCCC2)cc1 225512863 YAKHYHIUPBYSOY-QFIPXVFZSA-N 420.597 5.699 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)N[C@@H](C)CC)cc1 225519646 VGWPSKWBWMQMOG-SQJMNOBHSA-N 422.613 5.212 0 40 HKAB COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCC4)cc3)CCCCC2)cc1 225558765 AUUDJZJXQUVAIL-UHFFFAOYSA-N 422.569 5.010 0 40 HKAB Cc1cccc(-c2noc(CCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2)c1 225813977 DQPOKDZJLVZKIP-UHFFFAOYSA-N 409.795 5.289 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c2cccnc12 225865640 YCHNWISZKIXSSF-UHFFFAOYSA-N 402.538 6.110 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c2cccnc12 225869907 XHYNGXRCPDRIGA-UHFFFAOYSA-N 422.956 6.516 0 40 HKAB CCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2ccccc2OC)cc1 408587662 SYMVGHZKKXYRKO-UHFFFAOYSA-N 411.885 6.182 0 40 HKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 408679526 NIHLHTIXQXUVRP-VQTJNVASSA-N 416.521 5.200 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 408700136 ZAPTUWJZUADPCY-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1cccc(Br)c1)N2 408996846 FFVFSFYQIHMUFI-BVSLBCMMSA-N 420.306 5.618 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C1\SC(=O)N(c2ccccc2Cl)C1=O 409054529 BHIRYKGFXUMNCV-AUWJEWJLSA-N 414.697 5.896 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@@H](c2ccccc2)N3)c1 409114938 FHBLIRSVBJCXLW-VAOGHPRRSA-N 422.572 6.852 0 40 HKAB COc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)cc1 409121256 XPCGHXOSANVIKN-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB Fc1ccccc1COc1c(Cl)cc(CNc2ccccc2Cl)cc1Cl 409177446 AUWQNUTUIIEXGS-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB Cc1cccc(OCc2ccc(C(=O)Oc3ccc(C4CCCCC4)cc3)cc2)c1 409181085 VTQRLKPSKDMTNY-UHFFFAOYSA-N 400.518 6.841 0 40 HKAB CCCc1sc(NC(=O)CCC(=O)c2ccccc2)nc1-c1ccc(OCC)cc1 409197832 PSHRRQRDOQYJOI-UHFFFAOYSA-N 422.550 5.763 0 40 HKAB CCCOc1ccccc1-c1ccc(C(=O)O)c(COc2ccccc2C(C)C)n1 585265478 MVZLUBNHTDDNLZ-UHFFFAOYSA-N 405.494 5.938 0 40 HKAB O=C1C[C@@H]2CCN(Cc3cccs3)C[C@@H]2CCOc2ccc(C(F)(F)F)cc2N1 1534646425 LKUSWJGXBUXMOY-GJZGRUSLSA-N 424.488 5.016 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1 666526 WBWNKUGPPLGNPB-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB COc1ccc(OC)c([C@H]2CC(=O)Nc3c2cc(Br)c2ccccc32)c1 709518 APDCDGYFVBROFL-OAHLLOKOSA-N 412.283 5.094 0 40 HKAB Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1 991962 PBNBZGYMHOIVRE-UHFFFAOYSA-N 408.306 5.895 0 40 HKAB COc1ccc(NC(=O)Cc2c(Sc3ccccc3)c3ccccc3n2C)cc1 1084790 HJHZSYYRGZPSMO-UHFFFAOYSA-N 402.519 5.519 0 40 HKAB aggregator Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)cc1 1098526 PVCMNKYILWEDJU-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB O=C(Nc1cccc(Cl)c1)N(CCc1ccccc1)CCc1nc2ccccc2[nH]1 1360685 IZJKLKYPAWLTLQ-UHFFFAOYSA-N 418.928 5.536 0 40 HKAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(OCc2ccccc2)cc1 1775417 IHHXVGQBBRHHKD-UHFFFAOYSA-N 412.489 6.043 0 40 HKAB Cc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)c(C(=O)c2ccccc2)c1 2031197 ZCCRWVBVOUALMK-UHFFFAOYSA-N 407.469 6.271 0 40 HKAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc23)cc1 2074100 SZHOFZHBOGEJEI-UHFFFAOYSA-N 419.937 5.989 0 40 HKAB Cc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccccc2Cl)cc1 2228406 OEWNIAPEDHHAQD-UHFFFAOYSA-N 405.954 6.497 0 40 HKAB CCN(CC)C(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N 2254770 OHZBEJMLNWCGLF-UHFFFAOYSA-N 407.564 5.756 0 40 HKAB O=c1oc2cc(O)ccc2cc1-c1nc(-c2ccc(Br)cc2)cs1 2258978 UPTQZEGPUOWFAG-UHFFFAOYSA-N 400.253 5.052 0 40 HKAB CCCCCCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 2358732 GIPWIMJESVYBEY-UHFFFAOYSA-N 419.619 7.068 0 40 HKAB CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)[C@]31Nc2ccccc2S1 2432498 IJGAUJYKWUYEJA-UIOOFZCWSA-N 412.558 5.892 0 40 HKAB Fc1cccc(-c2nnn3c2nc(NCc2ccc(Cl)cc2)c2ccccc23)c1 2698633 ICNLCSZSZOKMNP-UHFFFAOYSA-N 403.848 5.349 0 40 HKAB Clc1cccc(-n2cc(-c3ccccc3)c3c(NCCc4ccccc4)ncnc32)c1 2714631 XHIGMTXXOWNWNE-UHFFFAOYSA-N 424.935 6.396 0 40 HKAB CCCCOc1ccc([C@H](CC(=O)c2ccc(C)cc2)Nc2ccc(Cl)cc2)cc1 3162221 HRIAPRJAMDALKY-VWLOTQADSA-N 421.968 7.254 0 40 HKAB O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1cncc(Br)c1 3231060 KANGERMICSTOAN-UHFFFAOYSA-N 416.272 5.021 0 40 HKAB C[C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)N(C)c1ccccc1 3355757 KHEGCJQECMYSQV-INIZCTEOSA-N 420.563 5.139 0 40 HKAB CC[C@H](NC[C@@H](O)COc1ccccc1C(C)C)c1ccc(Br)cc1 3441560 DSZGNJFNCOPFRU-QUCCMNQESA-N 406.364 5.053 0 40 HKAB CCOC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 3658660 ZXZLRQJBELRYEJ-HNNXBMFYSA-N 421.497 5.270 0 40 HKAB COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1 4031748 GWTAISADZNYBMN-UHFFFAOYSA-N 414.486 5.302 0 40 HKAB Cc1ccc(NC(=O)c2ccc(Br)s2)c(C(=O)c2ccccc2)c1 4070206 SSLXECKYEVVIIC-UHFFFAOYSA-N 400.297 5.302 0 40 HKAB COc1ccc(CN(CC[C@]2(CCC(C)C)CCO[C@@H](C(C)C)C2)C(C)=O)cc1 4073176 MUPWDPMVVFJZEV-JWQCQUIFSA-N 403.607 5.691 0 40 HKAB biogenic COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(OC)c2)cc1 5016994 DJXGCIDACJFQKY-ISKFKSNPSA-N 420.896 5.600 0 40 HKAB Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)cc1 5278524 QRSRGYUDRFUWCG-XXBNENTESA-N 404.853 5.311 0 40 HKAB Cc1cccc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@@H]2c2ccccc2)n1 5303018 HQSJDAVVWIQTDN-NRFANRHFSA-N 416.864 5.208 0 40 HKAB CC[C@@H](CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 5651129 KZJWDPNRJALLNS-LTPXOBQUSA-N 414.718 8.025 0 40 HKAB in-vitro Cc1ccccc1NC(=O)Cc1nc(-c2cc(C)n(Cc3cccs3)c2C)cs1 6510052 TWPNHYONVVXSLE-UHFFFAOYSA-N 421.591 5.828 0 40 HKAB O=C(COC(=O)Cc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1Cl 6887272 DOYXZFNKWWIDIQ-UHFFFAOYSA-N 407.080 5.025 0 40 HKAB COc1cc(SC)ccc1C(=O)Nc1nnc(SCc2ccc(C)cc2)s1 7723294 DXPTVDMZMHCUDQ-UHFFFAOYSA-N 417.581 5.122 0 40 HKAB Cc1cc(CSc2ncccc2C(=O)Nc2ccc(Oc3ccccc3)cc2)no1 8132034 LIVIPBYACUDQDD-UHFFFAOYSA-N 417.490 5.715 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)CSc4nncn4C(C)C)cc3)sc2c1 9212821 MIEIUQAZFSPNNS-UHFFFAOYSA-N 423.567 5.175 0 40 HKAB Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2cccs2)N3)cc1C 9410507 QWGTYRCWKMQMIW-WMLDXEAASA-N 420.460 5.474 0 40 HKAB Cc1ccccc1C(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1Cc1ccco1 9410759 RWUJISNPTNVJKX-UHFFFAOYSA-N 424.504 5.850 0 40 HKAB O=C(c1ccccc1)c1ccc2[nH]c(-c3ccc(NC(=O)c4cccs4)cc3)nc2c1 9435142 PUYCKQKEKMFUMD-UHFFFAOYSA-N 423.497 5.775 0 40 HKAB Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2cccc(Cl)c2)no1 9487413 GAYVKKAVSUZIHS-FQEVSTJZSA-N 420.852 5.109 0 40 HKAB O=C(Nc1nnc(SCc2ccccc2F)s1)c1cccc(C(F)(F)F)c1 9599922 YTSNPWVPUKWRJN-UHFFFAOYSA-N 413.421 5.241 0 40 HKAB Fc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@@H](c3ccc(Cl)cc3)C2)cc1 9761178 CZFUWBFMYXKGCI-HXUWFJFHSA-N 419.714 7.142 0 40 HKAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cc(Cl)sc1Cl 11765115 HKPPZFIHZGCCGI-UHFFFAOYSA-N 424.378 5.322 0 40 HKAB CC(C)(C)c1ccc(C(=O)NCCOc2ccc(C(C)(C)c3ccccc3)cc2)cc1 12401065 ZYSXAQFXJWYELW-UHFFFAOYSA-N 415.577 6.119 0 40 HKAB COc1ccccc1C1=N/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)O1 12463461 OVHQZMAIPROPIH-KGENOOAVSA-N 419.864 5.272 0 40 HKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccccc1C 12651260 NZXZKSXTCGFOMN-UHFFFAOYSA-N 400.478 6.188 0 40 HKAB Cc1sc2ncnc(N[C@@H](C)C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)c2c1C 12928645 OZFUCPJNBOTYEH-NEPJUHHUSA-N 422.476 5.005 0 40 HKAB O=C(Nc1cccc(OC(F)(F)F)c1)c1ccc2nc(-n3cccc3)sc2c1 13692746 PKZRQYDQIXMFRZ-UHFFFAOYSA-N 403.385 5.238 0 40 HKAB O=C(C[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 16477287 QAIPVUZXIABLIJ-DEOSSOPVSA-N 404.941 5.476 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1Cl 20037471 LWIVFMMROXPECX-INIZCTEOSA-N 414.933 5.001 0 40 HKAB CC(C)c1cc(Br)cc2sc(NC(=O)C(C)(C)Br)nc12 20133206 KTGYIIVWTHVPED-UHFFFAOYSA-N 420.170 5.294 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(O)c(C(=O)O)c1 20150903 GDXQWRNSQXYNJF-XBXARRHUSA-N 418.232 5.309 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3nc(SCCOc4ccccc4)sc3c2)cc1 20895063 YATNPMMBQIVPKI-UHFFFAOYSA-N 420.559 6.028 0 40 HKAB CCCCc1ccc(NC(=O)c2cn(CC)c3ccc(C(F)(F)F)cc3c2=O)cc1 22236952 XAQNFHAPQQDDMK-UHFFFAOYSA-N 416.443 5.635 0 40 HKAB O=C(c1cnccn1)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2Cl)cs1 23074935 XWOKNVGGPCKBRV-UHFFFAOYSA-N 424.888 5.240 0 40 HKAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2sccc2-n2cccc2)cc1 25668924 GJQWJWNHXXPUKN-UHFFFAOYSA-N 402.479 5.435 0 40 HKAB COc1ccc(CN(C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccn2)cc1 27989693 OYWYZVAVUGWCBM-GOSISDBHSA-N 424.928 5.361 0 40 HKAB CCCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3F)sc2c1 33000531 ORDRSNSKMHXUKJ-UHFFFAOYSA-N 417.531 5.295 0 40 HKAB Cc1ccccc1NC(=O)N(CCc1nc2ccccc2[nH]1)Cc1ccc(F)cc1 35314218 FXXRTSZSXCPPNS-UHFFFAOYSA-N 402.473 5.287 0 40 HKAB Cc1ccccc1OCCN(C)C(=O)c1ccccc1SCc1c(C)noc1C 40001039 RXUNBKAXSKTUMP-UHFFFAOYSA-N 410.539 5.043 0 40 HKAB Cc1oncc1C(=O)Nc1cccc(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 40152768 CXRAIHSKUOHSIE-UHFFFAOYSA-N 409.445 5.059 0 40 HKAB Cc1cccc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)c1C 57487235 QUGUNYYTDVAVME-UHFFFAOYSA-N 406.873 5.114 0 40 HKAB CC(C)[C@@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1ccc(C2CCCCC2)cc1 57984661 AFNQZMYOHUCHAQ-HHHXNRCGSA-N 416.565 5.563 0 40 HKAB CCCCc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c2ccccc2n1 58196813 XTYNMDFUVAIWLY-UHFFFAOYSA-N 416.304 5.924 0 40 HKAB Brc1ccccc1-c1nnc(CN2CCC[C@@H]2CC2CCCCC2)o1 60892904 NBLSVFLNVPYIJK-MRXNPFEDSA-N 404.352 5.434 0 40 HKAB Cc1sc(CNC(=O)C2(c3ccc(F)cc3)CC2)nc1-c1ccc(Cl)cc1 65575678 KMTSFBKCJVPRHT-UHFFFAOYSA-N 400.906 5.259 0 40 HKAB Cc1ccc(Cn2c(SCc3cc(C)ccc3C)nc3ccccc3c2=O)cc1 67259450 JDYPTIIWAVLFJL-UHFFFAOYSA-N 400.547 5.662 0 40 HKAB CCc1nc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)cs1 70038009 GPYNIKKFOBJMHH-SFHVURJKSA-N 403.429 5.495 0 40 HKAB Cc1csc([C@@H](NC(=O)/C=C(/c2ccc(Cl)cc2)C(F)(F)F)C2CC2)n1 84268051 LAWDHULAAOJUAG-VCHSTOLQSA-N 400.853 5.318 0 40 HKAB CC[C@H](NC(=O)Nc1cccc(Oc2ccccn2)c1)c1nc(-c2ccccc2)c[nH]1 95460975 KNUGCDIDGTURPF-FQEVSTJZSA-N 413.481 5.537 0 40 HKAB COc1ccc([C@H]2OC[C@@]3(COC(=O)c4ccccc4)[C@@H](C)[C@H]2C(C)=C[C@H]3C)cc1 103620966 VGRINMHUNLQXBU-WMHQXEDJSA-N 406.522 5.458 0 40 HKAB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@H](c3cccnc3)C2=C(O)C1 103998140 IUWBLQVBDZNHAY-RUZDIDTESA-N 423.516 6.188 0 40 HKAB C[C@@H]1N2[C@@]3(c4ccccc4)O[C@@](c4ccccc4)(c4ccccc43)[C@@]12c1ccccc1 104186835 MHVFAOMRYBUSQM-XPGUIZNYSA-N 401.509 5.775 0 40 HKAB CCOc1c(Br)cc(CNc2ccc(Cl)cc2Cl)cc1OC 106971354 SSJUTNRQXQKHLM-UHFFFAOYSA-N 405.119 5.775 0 40 HKAB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc(OC)c1 214775815 DSMCUMZYVQDWAQ-CAOOACKPSA-N 424.305 5.247 0 40 HKAB CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(C)cc1C 218878068 KOYMSMGTFBHOCG-HXUWFJFHSA-N 418.375 5.836 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1C(C)C 223330276 NHNMVKCXOBGSMG-HXUWFJFHSA-N 417.549 6.197 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COC(C)C)c2)cc1 224721839 PWJMIOYWRGMWDD-UHFFFAOYSA-N 413.514 5.220 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)Nc1cc(C(F)(F)F)ccc1Cl 225167855 QZBCLXFNXXFWIO-UHFFFAOYSA-N 412.235 6.023 0 40 HKAB CCOC(=O)c1cccc(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)c1C 225500192 PFQMXCWCSDRYOM-OAQYLSRUSA-N 414.571 5.254 0 40 HKAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cccc(OCc2ccccc2Cl)c1 225779987 HATKNNQVRRDSEW-DEOSSOPVSA-N 421.924 5.735 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c2cccnc12 225870450 FJATUAZTNQCMDX-UHFFFAOYSA-N 422.956 6.518 0 40 HKAB O=C(c1ccccc1-c1ccccc1)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1 257312147 UMQSLZVXDWAGRX-QFIPXVFZSA-N 422.528 5.233 0 40 HKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3cc(Cl)ccc3C)sc2n1 408621462 OCRRXBYOTKMJEZ-UHFFFAOYSA-N 418.975 5.228 0 40 HKAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2cccc(Br)c2)S1 408802104 DAHWPDJFUPULOV-UHFFFAOYSA-N 408.728 5.174 0 40 HKAB O=C1S/C(=C/c2cccn2-c2ccccc2F)C(=O)N1CCCc1ccccc1 409131836 YJUBTZNKWHAJTL-LTGZKZEYSA-N 406.482 5.286 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccnc2)sc(C)c1-c1ccc(Cl)cc1 723889 PAQUXDXOFSSCJC-UHFFFAOYSA-N 400.887 5.201 0 40 HKAB Cc1c(NC(=O)C(F)(F)F)cc(NC(=O)C(F)(F)F)cc1Sc1ccccc1 783164 ZKNJRFHWZQLMOI-UHFFFAOYSA-N 422.350 5.148 0 40 HKAB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccco1 1263935 MRZFVYLBQSCLRN-UHFFFAOYSA-N 413.911 5.337 0 40 HKAB COc1ccc(N(Cc2ccccc2)C(=O)c2cc(-c3ccccc3Cl)no2)cc1 1389681 CVPYUUQWMCUMEI-UHFFFAOYSA-N 418.880 5.851 0 40 HKAB CCCCCC[C@@H](C(=O)O)n1ccc2cc(-c3ccccc3-c3nn[nH]n3)ccc21 1538786 FCWWQZQDBUMEJF-NRFANRHFSA-N 403.486 5.085 0 40 HKAB investigational O=C(Nc1cc(Cl)ccc1Cl)c1cccc(COc2ccc3ccccc3c2)c1 2105790 NNTREQGCOKKMCY-UHFFFAOYSA-N 422.311 6.978 0 40 HKAB CCC(=O)c1ccc(OC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)cc1 2228510 XNKPDNLFXXFPFD-UHFFFAOYSA-N 411.457 5.722 0 40 HKAB CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c1cccc(Cl)c1)c1ccccc12 2282513 AVGREEGWHSZZLQ-UHFFFAOYSA-N 421.880 5.689 0 40 HKAB biogenic CC(=O)N(CC[C@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 2347702 QDDZRHHYNAPSFM-ISKFKSNPSA-N 403.607 5.690 0 40 HKAB CC(C)(C)c1ccc(C(=O)OCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 2655680 QGGLMSBYYDEGJQ-UHFFFAOYSA-N 410.517 6.194 0 40 HKAB COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccc(C(F)(F)F)cc1 2658840 OMUDIWWDKBLBEQ-UHFFFAOYSA-N 414.383 5.219 0 40 HKAB COc1ccccc1O[C@H](C)C(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 2705407 MPZRMDCRBWSXTR-MRXNPFEDSA-N 415.445 5.078 0 40 HKAB CCCc1ccc(-c2csc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5=C(C)C)[C@H]4C3=O)n2)cc1 2769866 GGWYDROXNIJJJZ-ALFLXDJESA-N 406.551 5.244 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)c(Cl)c2)N3)C1 4554573 MNEAXSLJMFOLOY-KZULUSFZSA-N 423.409 7.025 0 40 HKAB CCN(CC)c1ccc(NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc1 4631037 QIMURERWSVKCKA-GFCCVEGCSA-N 415.748 5.899 0 40 HKAB Cc1ccc([C@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@@]2(C)C3(Cl)Cl)cc1 4686082 WMVAPGMEZFZUIW-ZLNRFVROSA-N 413.319 6.748 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1sc2cc(Cl)ccc2c1Cl 4832748 IQGXPSFCQXSLSI-UHFFFAOYSA-N 401.112 6.223 0 40 HKAB O=C(CNc1ccc(F)cc1)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 5012188 DWHUEIHVXBBLCT-UHFFFAOYSA-N 410.301 5.230 0 40 HKAB Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)c1 5235931 YMCJMRFFYYLGAD-QFIPXVFZSA-N 409.533 5.530 0 40 HKAB COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(SC)cc2)c1 5253221 PSQQZIFLRYPCME-LADGPHEKSA-N 402.519 5.659 0 40 HKAB CCCc1ccc(-c2nc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5=C(C)C)[C@@H]4C3=O)sc2C)cc1 5672065 AXVSKANOWZGUET-YHELAOLJSA-N 420.578 5.553 0 40 HKAB O=C(COc1ccccc1)c1cn(CCOc2ccc(Cl)cc2)c2ccccc12 6269714 HNRJNMKHDDSQTL-UHFFFAOYSA-N 405.881 5.635 0 40 HKAB Cc1cc(Nc2cccc(C(Cl)(Cl)Cl)n2)n(-c2ccc(Cl)cc2)n1 6330542 OLPCIIBNSGHJQK-UHFFFAOYSA-N 402.112 5.799 0 40 HKAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(Cl)c(Cl)c1 6752919 WKFMMABAYWEZCP-LJQANCHMSA-N 402.281 5.044 0 40 HKAB Cc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c(Cl)c1 8071623 DUIPFJKTYDEFDV-UHFFFAOYSA-N 404.691 5.601 0 40 HKAB COc1ccc(C(=O)N2CC[C@@]3(Cl)CCCC[C@@H]3[C@@H]2c2ccccc2)cc1OC 8209450 JKAIHNBLNWWOSE-UCFCWBNQSA-N 413.945 5.459 0 40 HKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1ccc(C(=O)OC(C)C)cc1 8456028 LRNIMHKWXVGKGG-UHFFFAOYSA-N 424.500 6.028 0 40 HKAB Cc1ccc(C)c(NC(=O)c2nnn(-c3ccc4noc(-c5ccccc5)c4c3)c2C)c1 8753789 SNEQOIMCZGQHHQ-UHFFFAOYSA-N 423.476 5.253 0 40 HKAB C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1cccc2ccccc12 9255906 UKLJSUNPKSMKIV-AWEZNQCLSA-N 423.588 5.936 0 40 HKAB Cc1cc2oc(=O)c(CC(=O)Nc3cccnc3)c(C)c2c2occ(-c3ccccc3)c12 9411100 AUPMPEPNPCXXHD-UHFFFAOYSA-N 424.456 5.399 0 40 HKAB CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1cc(C)cc(C)c1 9645887 QRKKIFOCQZOKIY-UHFFFAOYSA-N 415.536 5.009 0 40 HKAB CC(C)(C)c1ccc(-c2cc(=O)c3cc(NC(=O)Nc4ccccc4)ccc3o2)cc1 9660177 BQBOBLUKDQUZHJ-UHFFFAOYSA-N 412.489 6.402 0 40 HKAB biogenic Cc1occc1-c1nnc(SCc2cn3cc(Cl)ccc3n2)n1-c1ccccc1 9958111 BTJMLYJTISEGCU-UHFFFAOYSA-N 421.913 5.429 0 40 HKAB Cc1oc(-c2ccccc2)nc1CSc1nc2ccccc2c(=O)n1C1CCCC1 11223560 GBDDAIFLYTUHBU-UHFFFAOYSA-N 417.534 5.767 0 40 HKAB Cc1ccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)c(Br)c1 11620736 CQVLZYISPLVKMW-UHFFFAOYSA-N 422.754 5.062 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)N1CCC[C@H]1c1nc2ccccc2s1 12799641 LWRYFUGQLGREDD-HNNXBMFYSA-N 407.322 5.346 0 40 HKAB Cc1nc(CCNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs1 12847462 UJPMFIDFPLBLDV-UHFFFAOYSA-N 402.604 5.044 0 40 HKAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(F)cc2)cc1 13097057 OZOFUIOLRGDEKP-HNNXBMFYSA-N 424.497 5.206 0 40 HKAB CN(Cc1cccc(Cl)c1Cl)Cn1nc(-c2ccncc2)n(C2CC2)c1=S 14189379 AMTHFJDIDCSUNA-UHFFFAOYSA-N 420.369 5.207 0 40 HKAB Cc1c(C(=O)N2CCc3sccc3[C@H]2c2cccs2)sc2cccc(F)c12 14704193 KVGIMTYZEFEMDA-IBGZPJMESA-N 413.564 6.260 0 40 HKAB COc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1C 15881193 FVTYGPZNEVZHBC-UHFFFAOYSA-N 417.505 5.548 0 40 HKAB CCc1ccc(-c2cc3c(SCC(=O)Nc4cccc(Cl)c4)nccn3n2)cc1 16841623 LAGJIUDAJSALKP-UHFFFAOYSA-N 422.941 5.343 0 40 HKAB COc1ccc([C@H]2CC(=O)N(Cc3cccc(F)c3)c3ccccc3S2)cc1OC 16959794 PHAGSWMECRLJMQ-HSZRJFAPSA-N 423.509 5.613 0 40 HKAB CCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 17090369 BJOQTYJFSZASHI-UHFFFAOYSA-N 415.518 5.775 0 40 HKAB COc1c(C)cccc1C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 17090715 TVGZOFKTGMENIE-UHFFFAOYSA-N 416.521 5.806 0 40 HKAB O=C(N/C(=C\c1ccc(Br)cc1)c1nc2ccccc2[nH]1)c1ccccc1 17190769 YBFRETBEHFICDR-ZHZULCJRSA-N 418.294 5.254 0 40 HKAB CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccc(Cl)cc3)CC[C@H]21 19081617 MJGCWVKOPPVTBQ-NJDAHSKKSA-N 417.018 5.264 0 40 HKAB OC(CNCc1cccc(C(F)(F)F)c1)(c1ccc(F)cc1)c1ccc(F)cc1 20365929 SQKLMFBWUXKBPJ-UHFFFAOYSA-N 407.382 5.009 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)c1cc2ccccc2o1 23731867 HLAVOLRINVPYLV-UHFFFAOYSA-N 407.901 5.220 0 40 HKAB FC(F)(F)c1ccc(-c2noc(CNC(c3ccccc3)c3ccccc3)n2)cc1 25378397 QJWQNIKBRHAEDZ-UHFFFAOYSA-N 409.411 5.635 0 40 HKAB COc1cccc(-c2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)c1OC 25862743 ARHUNKZXPVNXSW-UHFFFAOYSA-N 416.502 5.747 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)c1cc(=O)c2ccc(Br)cc2o1 27793918 FSHNZIXLOUKVOP-UHFFFAOYSA-N 413.054 5.115 0 40 HKAB COc1ccc(N(Cc2cccs2)C(=O)c2oc3cc(C)cc(C)c3c2C)cc1 27993366 NTHBVEZGCOQPON-UHFFFAOYSA-N 405.519 6.275 0 40 HKAB CN(CC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl)[C@@H]1CCc2ccccc21 29483609 HPMYBBMGKNSAJX-CQSZACIVSA-N 418.151 5.858 0 40 HKAB Fc1ccc(-c2nnc(SCc3cccc(Cl)c3)n2C[C@@H]2CCCO2)cc1 32604416 KTAXJARIBKWSGM-SFHVURJKSA-N 403.910 5.209 0 40 HKAB Cc1ccc(-c2csc(-n3nc(/C=C/c4ccco4)cc3C(F)(F)F)n2)cc1 34854415 AUYBLXKHVVBCFN-CMDGGOBGSA-N 401.413 6.086 0 40 HKAB COc1c2c(c(OC)c3c(-c4ccccc4)ccc(-c4ccccc4)c13)[C@H]1C=C[C@@H]2CC1 45071249 ODOGARMFEMCUBA-SZPZYZBQSA-N 418.536 7.722 0 40 HKAB Cc1cc(C)c2nc(-c3c(O)cc(C(C)(C)C)cc(C(C)(C)C)c3=O)cc(Cl)c2c1 67317179 KWQQWLSRJMJZPL-UHFFFAOYSA-N 423.984 6.833 0 40 HKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 72215239 WJXOZKTYYRFNDK-NQIIRXRSSA-N 423.557 5.599 0 40 HKAB COCc1nc(N[C@@H](c2ncc(C)s2)C2CC2)c2c(-c3ccccc3)csc2n1 72301678 YTKZPXMQXWKOOO-LJQANCHMSA-N 422.579 5.833 0 40 HKAB O=C(c1ccc2ncccc2c1)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1 72361055 WLAFYKGZFJTFTL-QFIPXVFZSA-N 414.896 5.323 0 40 HKAB O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1cc(Cl)ccc1Cl 90607134 MEGBDPPSFXEMJZ-UHFFFAOYSA-N 415.324 5.297 0 40 HKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 101125512 LIIFBMGUDSHTOU-ITAQAIQMSA-N 424.713 8.377 0 40 HKAB biogenic CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccs1 101999034 NXBRRPKRMDYMLM-HSZRJFAPSA-N 408.567 6.587 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@@H](c4cccnc4)C3=C(O)C2)cc1OC 102731095 ACSPVRQCANXBBW-OPAMFIHVSA-N 417.465 5.003 0 40 HKAB CN(Cc1csc(-c2ccccc2)n1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 108339377 YXRUCWONYWOLHZ-RTBURBONSA-N 405.350 5.207 0 40 HKAB CCOCCCNC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 169617966 AVXULQZSPUSULE-GQXHZXIQSA-N 404.554 5.140 0 40 HKAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222804131 YIJYOHVTTVTURC-OALUTQOASA-N 418.349 5.641 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)ccc1Cl 222846653 LOBNSFBSTIFAKM-QGZVFWFLSA-N 414.933 5.071 0 40 HKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccccc2)c1C 222961507 XGCQWZKBJIQMDZ-ZEQRLZLVSA-N 418.610 5.321 0 40 HKAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 223877953 UQFLNRHRHLUSLB-GOTSBHOMSA-N 418.566 5.271 0 40 HKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1C 224364201 MBBYRKLOGQQKSD-PKTZIBPZSA-N 404.583 5.337 0 40 HKAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccccc1Sc1ccccc1 224864047 MSFYLVXSSPPBBS-UHFFFAOYSA-N 418.493 6.203 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)NCCSCc1ccc(Cl)cc1 225368328 KDNAYYGMRDYCHM-UHFFFAOYSA-N 402.774 5.629 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C(=O)OC 225760838 DGGLZGPEYLCHGS-UHFFFAOYSA-N 413.489 5.242 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCC)c2ncccc12 225908834 WZCNYNYHXPRNCA-XMMPIXPASA-N 400.563 6.118 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCCN3CCCC[C@H]3C)cc2)CCC(C)CC1 260812596 HMUHJAGFGCYDRA-YOOZRZFBSA-N 416.606 5.254 0 40 HKAB CCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1OC 408619557 IZQDPPNGEKTGQH-UHFFFAOYSA-N 411.885 6.100 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(C)cc(C)c3)c3ccccc3n2)cc1 408645876 MBSDXJWONLTBOJ-UHFFFAOYSA-N 424.500 5.623 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2ccc(Cl)cc2)cc1 408699035 QZTSXHYQELILCW-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCCOc1c(Br)cc(CNc2cccc(C)c2)cc1Br 409119970 RLYJFAOPLYMPIX-UHFFFAOYSA-N 413.153 5.921 0 40 HKAB Clc1ccc(OCc2nc(SCc3ccc(Cl)cc3Cl)n[nH]2)cc1 409386361 SPNTYVRVFYHUMB-UHFFFAOYSA-N 400.718 5.636 0 40 HKAB COc1ccc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)cc1OCc1ccccc1 853764 ZPVHTEDAPOYHNW-QHCPKHFHSA-N 409.485 5.902 0 40 HKAB CC[C@@H](C)OC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 957141 LAOLKFZLBLZEPC-IAGOWNOFSA-N 410.466 5.311 0 40 HKAB Cc1ccc2[nH]c(=O)c(-c3nc4cccc(C)n4c3NCc3ccc(F)cc3)cc2c1 1330257 MVUAMPKUDDZCHP-UHFFFAOYSA-N 412.468 5.211 0 40 HKAB Cc1ccc2c(SCC(=O)N3CCC(C)CC3)nc(-c3ccc(F)cc3)nc2c1 1367868 KACDJGATSWCARW-UHFFFAOYSA-N 409.530 5.095 0 40 HKAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)Nc4ccccc4)c23)C1 1377246 QTVGRXBYXOZYDC-ZDUSSCGKSA-N 409.580 5.424 0 40 HKAB C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)c4cccs4)c23)C1 1377333 FYEAGSOTTMNEHV-LLVKDONJSA-N 400.594 5.730 0 40 HKAB CCN(CC)C(=S)SCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1732082 RXWYJHHCBQSEGM-UHFFFAOYSA-N 411.634 6.814 0 40 HKAB CCCCCSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@H](C(C)C)C4 1819210 MGWBAIHMDRXZSO-ZDUSSCGKSA-N 422.645 5.441 0 40 HKAB Cc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c(C)c1 2093535 HXNFPXPBRFUJEK-UHFFFAOYSA-N 403.478 5.653 0 40 HKAB biogenic CCCCSc1nnc(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1C 2185520 FCZLKRSKCVHVBM-UHFFFAOYSA-N 422.598 5.924 0 40 HKAB Cc1ccc(C(=O)Nc2c(-c3ccccc3)c(=O)c(C)nn2-c2ccc(C)cc2)cc1 2228630 XASPTFKVSYHESI-UHFFFAOYSA-N 409.489 5.077 0 40 HKAB CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1Cl 2393691 IFHDANWTJZNZLM-BCHFMIIMSA-N 416.285 5.471 0 40 HKAB CCC[C@@H](C)NC(=O)COC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12 2642949 LKAHHUNATOHNLT-OAHLLOKOSA-N 424.928 5.325 0 40 HKAB O=c1c2c(nc(SCc3cccc(C(F)(F)F)c3)n1-c1ccccc1)CCS2 2719713 GVYFXZQZNBDWHL-UHFFFAOYSA-N 420.481 5.192 0 40 HKAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2Cl)CSC3)c1C 3008331 SMQBONGYEMOLKN-UHFFFAOYSA-N 418.349 5.795 0 40 HKAB CCc1nc2ccccc2c(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)c1C 3270058 RQVKODYASCUMLW-SANMLTNESA-N 409.485 5.887 0 40 HKAB COc1cccc(NC(=O)c2ccccc2NC(=O)c2cccc(C(F)(F)F)c2)c1 3435328 IZEACXAAZVACDK-UHFFFAOYSA-N 414.383 5.219 0 40 HKAB CCOC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 3658690 HWFOTRLMUNPFFX-OAHLLOKOSA-N 421.497 5.270 0 40 HKAB COc1ccc(CNCC[C@@]2(c3ccc(C)cc3)CCO[C@H](C(C)C)C2)cc1OC 4042704 GWPSIOLHWSVBIJ-IZZNHLLZSA-N 411.586 5.265 0 40 HKAB biogenic COc1ccc(NC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 4071727 GSESRSHUQGYZBO-UHFFFAOYSA-N 401.491 6.130 0 40 HKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 4318141 NUZYBGYRLCAZCB-LRXVAGHRSA-N 421.537 5.220 0 40 HKAB COc1ccccc1C(=O)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 4591301 UZZDYXKAXHNJKA-IZJVWCBNSA-N 402.450 5.318 0 40 HKAB CCCOC(=O)/C(=C\c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1 4601174 VLEWZMNSEAOBKX-OQKWZONESA-N 412.489 5.056 0 40 HKAB Cc1cccc(C(=O)c2cccc(NC(=O)C(c3ccccc3)c3ccccc3)c2)c1C 4695737 JOZYYAAXIGNXMA-UHFFFAOYSA-N 419.524 6.305 0 40 HKAB CCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1 4816685 PZZZVMJBBJHILK-MSOLQXFVSA-N 401.297 5.062 0 40 HKAB CCOc1ccc2nc(SCC(=O)Nc3ccccc3-c3ccccc3)[nH]c2c1 4830285 DRKISMDAXDSWFT-UHFFFAOYSA-N 403.507 5.359 0 40 HKAB Cc1nc(N)nc(-c2ccc(OCc3ccccc3F)cc2O)c1-c1ccccc1 5562803 RAFUHUJCVOKZQZ-UHFFFAOYSA-N 401.441 5.125 0 40 HKAB biogenic CCN(CC)c1ccc(C(=O)OCC(=O)N(C2CCCCC2)C2CCCCC2)cc1 5657038 HXTMKIXBTCDQBN-UHFFFAOYSA-N 414.590 5.184 0 40 HKAB CC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)C[C@H](C)C[C@@H]2[C@@H]1c1ccc(Cl)cc1 5673447 OIQJDCCKLRKESC-SDGWANCPSA-N 413.348 6.382 0 40 HKAB O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1ccc(OC(F)F)cc1 5938468 FSGBONKBBBDOKB-GOSISDBHSA-N 412.461 5.393 0 40 HKAB Cc1ccc2oc(-c3ccc(NC(=O)c4cc5ccccc5o4)c(Cl)c3)nc2c1 6034432 AWMDXHGIBAFCCU-UHFFFAOYSA-N 402.837 6.455 0 40 HKAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1 6509323 XGGGJYSCTLGSPA-UHFFFAOYSA-N 405.401 5.040 0 40 HKAB CC(C)Cn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc2cc(Cl)ccc21 6589826 XNSRKZTVICUGQX-CYBMUJFWSA-N 412.946 5.436 0 40 HKAB COc1ccc(CCNCC[C@@]2(c3ccc(C)cc3)CCOC(C)(C)C2)cc1OC 6759177 YNNBSTZWUGSALO-AREMUKBSSA-N 411.586 5.061 0 40 HKAB Cc1cc2sc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)nc2cc1Cl 6826376 LJIJYKZZBQXFLG-UHFFFAOYSA-N 403.290 6.424 0 40 HKAB Cc1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)cc1 6922788 XAWWUTYRMAJPDO-UHFFFAOYSA-N 417.512 5.931 0 40 HKAB O=C(NC1CC1)[C@@H](Sc1nc(-c2cccs2)nc2ccccc12)c1ccccc1 7112196 QSYTXCACKDGNSZ-FQEVSTJZSA-N 417.559 5.470 0 40 HKAB Fc1ccccc1COc1ccccc1CNn1c(-c2ccccc2)n[nH]c1=S 7601477 XYCLZAMCJPELFC-UHFFFAOYSA-N 406.486 5.069 0 40 HKAB COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)cc1OC 7718951 DNNFROSPKSSVPR-UHFFFAOYSA-N 413.477 5.117 0 40 HKAB CCc1ccc(NC(=O)Cc2nc(-c3cc(C)n(Cc4ccco4)c3C)cs2)cc1 7845829 LNLCTRMLSSWCCS-UHFFFAOYSA-N 419.550 5.613 0 40 HKAB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 7882098 DTHYSPICFVHKML-CTNGQTDRSA-N 414.505 5.336 0 40 HKAB C[C@@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)N(C)Cc1ccsc1 8268564 UEPWDKZUCVZYPD-INIZCTEOSA-N 421.591 5.408 0 40 HKAB CCCc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 8745464 VBBSPLMOGBCUME-HXUWFJFHSA-N 406.551 5.575 0 40 HKAB CC(=O)c1cccc(NC(=O)c2ccccc2NC(=O)Cc2cccc3ccccc23)c1 8755561 FUPHUMUEJVBBQV-UHFFFAOYSA-N 422.484 5.476 0 40 HKAB Brc1cc(Br)c2nc(-c3ccc4ccccc4c3)ccc2c1 8782248 DLUHKXSSVQJHAZ-UHFFFAOYSA-N 413.112 6.580 0 40 HKAB O=C(COc1ccc2cc(Br)ccc2c1)Nc1ccccc1C(F)(F)F 12375408 FTLOGQBQEHDNBG-UHFFFAOYSA-N 424.216 5.639 0 40 HKAB O=C(c1cccc(F)c1)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 12469189 TZWCPLRFDURVGL-UHFFFAOYSA-N 422.912 6.450 0 40 HKAB O=C(Nc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)cc1)c1ccccc1 12696827 RRSNNEXTWFKICX-UHFFFAOYSA-N 417.465 5.454 0 40 HKAB O=C(CCc1nc(-c2ccccc2)no1)N1CCCC[C@H]1c1nc2ccccc2s1 12766130 GGEJGSNKTZKCQZ-SFHVURJKSA-N 418.522 5.033 0 40 HKAB O=C(/C=C/c1cccc(Br)c1)N1CCC[C@H]1c1nc2ccccc2s1 12977291 JEWGPEDHUKLINC-DVQDXYAYSA-N 413.340 5.436 0 40 HKAB S=c1n(CN2CCc3ccccc3C2)nc(Cc2cccs2)n1C1CCCCC1 13071989 SWORUBGTJKTRPO-UHFFFAOYSA-N 424.639 5.587 0 40 HKAB CCOc1ccc(NC(=O)CCCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 13483840 FEICJOUKEUWOSP-UHFFFAOYSA-N 407.514 5.394 0 40 HKAB Fc1ccc(-c2nnc3sc(-c4ccccc4Cl)nn23)cc1Br 13692733 WEEFHTLVRMXQJD-UHFFFAOYSA-N 409.671 5.075 0 40 HKAB O=C(Cn1cc(-c2ccc(F)cc2)[n+]2c1CCC2)c1ccc(C2CCCCC2)cc1 13770329 RAUNVSJNCXHEIG-UHFFFAOYSA-N 403.521 5.459 0 40 HKAB COc1ccccc1NC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1cccs1 16030519 UCCHRRYRWQRDOC-JPYJTQIMSA-N 420.534 5.188 0 40 HKAB CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CC[C@H](c4ccccc4)C[C@@H]32)C(=O)C1 16957226 ASFIVQACLZMLMF-PGRDOPGGSA-N 421.968 5.593 0 40 HKAB O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 17089452 ZRJMSLFQZOKGPZ-UHFFFAOYSA-N 413.260 5.819 0 40 HKAB CCn1ncc(CN2CCC[C@H]2c2cc(Cc3ccc(Cl)cc3)cc(C)n2)c1C 19692000 JKVRKDHLISRZPL-DEOSSOPVSA-N 408.977 5.496 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 20451918 WIJGJTBXCLNFNB-BDYUSTAISA-N 409.529 6.211 0 40 HKAB C[C@H](Sc1ncnc2scc(-c3ccc(F)cc3)c12)C(=O)N1CCCCCC1 21604481 GPJZESFGTMTJAR-AWEZNQCLSA-N 415.559 5.381 0 40 HKAB S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(OCc2ccc(Cl)cc2)cc1 22109979 FRTZBCDWPZZGOE-UHFFFAOYSA-N 422.941 5.584 0 40 HKAB CCOc1ccccc1NC(=O)c1sc(COc2ccc(C(C)(C)C)cc2)nc1C 27912525 JSEILCUJHIGYHO-UHFFFAOYSA-N 424.566 5.979 0 40 HKAB CCOc1cc(C(=O)N2CCC[C@@H]2c2ccncc2)cc(-c2ccccc2)c1OC 32320752 FJFYQNPXSBCRBU-JOCHJYFZSA-N 402.494 5.133 0 40 HKAB CCOc1cc(-c2cccc(Cl)c2)nc2ccc(C(=O)NC3CCCCCC3)cc12 32986680 JJCNWPCPRLTZIQ-UHFFFAOYSA-N 422.956 6.407 0 40 HKAB O=C(N[C@H](C/C=C\c1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 34856842 ZFMHHKMOLFNMMV-CNGNEYMMSA-N 413.473 5.082 0 40 HKAB CC(C)[C@@H](O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34983865 IOWMKBFJCNLRTC-SNUITSNISA-N 402.663 6.360 0 40 HKAB COc1ccccc1NC(=O)c1sc(N2CCCCC2)nc1-c1ccc(C)cc1 36293480 UKHIPCZHUZGGRD-UHFFFAOYSA-N 407.539 5.370 0 40 HKAB CCOc1ccccc1-c1nnc(S[C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)o1 39983725 LOGRPDIVMNZGLW-ZDUSSCGKSA-N 424.482 5.047 0 40 HKAB COc1cccc(OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 40946495 DOPQZSCZFXWUES-UHFFFAOYSA-N 404.491 5.298 0 40 HKAB C[C@H]1C[C@H](N(C(=O)C(C)(C)C)c2ccccc2)c2ccccc2N1C(=O)C(C)(C)C 59428172 YLZNMSCLZSJKEJ-AVRDEDQJSA-N 406.570 5.978 0 40 HKAB CC1(C)[C@@](C#N)(C=C(Cl)Cl)[C@]1(Cc1cccc(Oc2ccccc2)c1)C(=O)O 59441005 KTIUJQVCYUDHCV-FCHUYYIVSA-N 416.304 5.961 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)cc2F)cc1 67297708 CMDMAOVFRPWQOK-PNHLSOANSA-N 402.425 5.374 0 40 HKAB CC(C)CN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 72215645 SZGAZVURCJZWAN-NRFANRHFSA-N 401.595 5.949 0 40 HKAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 72297252 USAUIIWSTYMGEV-MOPGFXCFSA-N 412.599 5.491 0 40 HKAB Cc1noc(C)c1CN(Cc1cc(Br)ccc1F)Cc1c(C)noc1C 84023310 PNSOMDZTTOCXLA-UHFFFAOYSA-N 422.298 5.000 0 40 HKAB Cn1ccnc1[C@H](Nc1cc(C(F)(F)F)nc2ccccc12)c1ccc(Cl)cc1 89761338 WQKMESGAMDVGRQ-LJQANCHMSA-N 416.834 5.842 0 40 HKAB O=C(NCc1cc(-c2cccs2)n(C2CCCC2)n1)c1ccccc1C(F)(F)F 90607073 SAPQTXNVFVTQDX-UHFFFAOYSA-N 419.472 5.676 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cc(-c3cnc(-c4cccc(F)c4)nc3)cn2C)c1 96147666 LNXNPUZLWCZRPD-UHFFFAOYSA-N 400.457 5.157 0 40 HKAB COc1ccc(-c2c(NC(=O)c3cccc(OC)c3)sc3ccccc3c2=O)cc1 101363368 YPLMVNHEAGASNL-UHFFFAOYSA-N 417.486 5.198 0 40 HKAB Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@@H](C)CC[C@H]4C(C)C)cc3C2=O)cc1 102066587 CSOLZNRRMSQPLG-KPDCDPCYSA-N 419.521 5.413 0 40 HKAB biogenic Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5ccc(C(C)(C)C)cc5)(C4)C2)C3)cc1 102332793 YMHFBWSHQPLPCD-VHDHYXBKSA-N 401.594 6.769 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1 108863420 JDBSKEACNFLIAR-UHFFFAOYSA-N 408.325 5.468 0 40 HKAB CO[C@@H]1CC[C@]2(C)[C@H]3CC(=O)[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCC(=O)O)[C@@H]3CC[C@@H]2C1 123294834 JUPFWUQPXGJVAK-BXVWHTCBSA-N 404.591 5.340 0 40 HKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2nc3ccccc3s2)S1 222592293 LFOKVILYKKORGS-UAOJZALGSA-N 417.563 5.071 0 40 HKAB Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1Cl 222628037 SPTAOYFTQPVLJQ-ONGXBYRLSA-N 408.958 5.423 0 40 HKAB Cc1ccccc1Nc1ccc(NC(=S)NCc2ccc(-c3ccccc3)o2)cn1 223912343 AGZHAKDIGKKVLZ-UHFFFAOYSA-N 414.534 5.880 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223916814 JTKVXPLKMMVION-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB CCCOCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OC 224414781 HGCQNNVXACDYFE-UHFFFAOYSA-N 401.812 5.546 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccc(C)cc1 224473941 GZSAPNHXWIKEGV-GOSISDBHSA-N 407.485 5.603 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccc(OC)cc1 224597113 XOCIGMUGNHYJBU-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(CN2CCCCC2)c1 224697155 MHYJOTOIMSIOQS-VWLOTQADSA-N 422.613 5.444 0 40 HKAB COc1cccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)c1OC 225048550 SIZABUSBYCIXNK-UHFFFAOYSA-N 413.926 5.902 0 40 HKAB CCOC(=O)c1cc(NC(=S)NCCSCc2ccc(C)cc2)ccc1Cl 225293985 JMNYZOUETNXKAY-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB COC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1OC(C)C 225684503 WGZRXZNHPFOCCX-UHFFFAOYSA-N 415.917 5.364 0 40 HKAB CCOC(=O)c1cc(NC(=O)C(CC(C)C)(CC(C)C)OC)ccc1O[C@@H](C)CC 225798463 NYYFELAVNMCPFL-SFHVURJKSA-N 421.578 5.457 0 40 HKAB Cc1ccccc1C1(NC(=S)Nc2ccc(Br)cc2F)CCCC1 225860938 NXIUABANYWRVOJ-UHFFFAOYSA-N 407.352 5.653 0 40 HKAB Cc1cccc(CCC2(NC(=S)Nc3ccc(N4CCCC4=O)cc3)CCCC2)c1 225865484 XBFIJRWTNYMCND-UHFFFAOYSA-N 421.610 5.354 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccc(C)cc4C)ccc3o2)c1 408619548 CSFMYUJYESHVOB-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB COc1cccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(Cl)cc3)n2)c1 408696579 AWMIEYABZQRDBQ-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB COc1ccccc1/C=C1\S[C](Nc2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O 408803561 QNPWAGRBPLSHRU-IFFKVGTPSA-N 407.559 5.749 0 40 HKAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 409099313 LALFRXCQUFOPDL-UHFFFAOYSA-N 419.525 5.688 0 40 HKAB Cc1c(Cl)cccc1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 409116045 LISZHAVIROTYGP-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB O=C(COc1ccc(C(=S)N2CCCCC2)cc1Cl)Nc1ccccc1Cl 409246382 HMKGBHVSEKQEMG-UHFFFAOYSA-N 423.365 5.172 0 40 HKAB O[C@]1(COc2ccc(Cl)c(Cl)c2)CCCN(Cc2ccc3[nH]ccc3c2)CC1 585271153 SCFNIKPWFNSFDL-JOCHJYFZSA-N 419.352 5.271 0 40 HKAB CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C(C)(C)C)C2 643915 DFVVMONGTDLWKN-AWEZNQCLSA-N 418.628 5.695 0 40 HKAB Cc1cc2c(cc1C)N(C(=O)c1cccs1)C(C)(C)c1ssc(=S)c1-2 841632 FHBBTZVGEZQWLL-UHFFFAOYSA-N 403.619 6.780 0 40 HKAB Cc1sc(Nc2ccccc2)nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1 1337768 SJURPPMEPLHDQS-UHFFFAOYSA-N 417.578 6.332 0 40 HKAB COC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2)sc2c1CC[C@@H](C)C2 1773637 NWTVEHRXWZJDOZ-CYBMUJFWSA-N 421.946 5.111 0 40 HKAB CCCCCOC(=O)c1ccc(Nc2ncnc3ccc(Br)cc23)cc1 1778614 BENYJJDBYVSFHK-UHFFFAOYSA-N 414.303 5.483 0 40 HKAB CCOc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccccc1Cl 2052488 IPTAVRNPZDIQLC-HSZRJFAPSA-N 424.953 6.015 0 40 HKAB COc1ccc(CN(CC[C@@H](c2ccccc2)c2ccco2)C(=O)c2ccco2)cc1 2292969 YCFXNWRTAJGVPN-QHCPKHFHSA-N 415.489 5.746 0 40 HKAB Cn1c(SCc2ccc(Cl)cc2Cl)nc2sc3c(c2c1=O)CCCC3 2335330 VZZDOXCHJZUHDK-UHFFFAOYSA-N 411.379 5.473 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2)N2CCCCC2)c1C 2546344 RIBDKEJKPSIYMA-HSZRJFAPSA-N 404.579 6.193 0 40 HKAB COc1ccc(NC(=O)COC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 2655858 BLKQETROTZIKPG-UHFFFAOYSA-N 410.278 5.012 0 40 HKAB CCCCn1c(-c2ccc(COc3ccc(Br)cc3)o2)n[nH]c1=S 2792212 VQEVYYVLSZOOFR-UHFFFAOYSA-N 408.321 5.342 0 40 HKAB O=C(Nc1nc(-c2cccs2)cs1)c1cc(-c2ccccc2)nc2ccccc12 3178425 BSEAOVSEGHOWMX-UHFFFAOYSA-N 413.527 6.339 0 40 HKAB COc1ccc(Nc2nc(CN3CCCCC3)nc3sc(C)c(C)c23)cc1OC 3297454 WOPGXNWOJDUNES-UHFFFAOYSA-N 412.559 5.055 0 40 HKAB O=C(OCc1c(F)cccc1Cl)c1ccccc1OCc1ccc(Cl)cc1 3312178 SKSGNRLGSNZKPD-UHFFFAOYSA-N 405.252 6.069 0 40 HKAB CCC(C)(C)c1ccc(OCC(=O)NCCCCCC(=O)O)c(C(C)(C)CC)c1 4016449 QQORCACUSVNIDM-UHFFFAOYSA-N 405.579 5.202 0 40 HKAB Cc1cccc(C(=O)N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccco2)c1 4306637 NZBCOMMAXVGVIL-LJQANCHMSA-N 409.283 5.342 0 40 HKAB Cc1[nH]c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nc1Cc1ccccc1 4492504 QNKJDBNUNHLFMA-ZDUSSCGKSA-N 403.910 5.221 0 40 HKAB COC(C)(C)CCC[C@@H](C)CCNS(=O)(=O)c1ccc2oc3ccccc3c2c1 4653546 YQVUAFZGOWHMOP-QGZVFWFLSA-N 417.571 5.486 0 40 HKAB CCOc1ccc(-c2cnc(NCc3ccc(Cl)c(Cl)c3)n2CCOC)cc1 4679224 KBAGERDBIWGZSX-UHFFFAOYSA-N 420.340 5.514 0 40 HKAB Cc1cc(C)c(N2C(=O)[C@H]3[C@@H](c4ccccc4)C=C[C@H](c4ccccc4)[C@H]3C2=O)c(C)c1 4719421 DFQXSXPRPJMBGK-POTDNYQPSA-N 421.540 5.855 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(Cc2cccs2)n1C1CC1 5396346 HZMCUKOVWZDUFX-UHFFFAOYSA-N 408.552 5.030 0 40 HKAB CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)CC2)cc1 5943938 RYIRDUZTLWDZNZ-FQEVSTJZSA-N 424.610 5.064 0 40 HKAB CCCCCN(CCCCC)C[C@@H](O)c1cc2c(c3ccc(Cl)cc13)CCCC2 5973202 MCZIZKWZMRJYDP-AREMUKBSSA-N 416.049 7.088 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc3n2CCCCC3)c2ccccc2)c1 6097032 OXLHTZCUGSYSBK-OAQYLSRUSA-N 406.555 5.093 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2)N2CCC(C)CC2)c1C 6418256 DIQLDYWXNCGCRD-XMMPIXPASA-N 418.606 6.439 0 40 HKAB Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1 6962108 DXCLHQBBRVADCY-LDADJPATSA-N 409.411 5.659 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 6995424 RLBIDTCWEJEYCH-CTUHWIOQSA-N 408.538 5.443 0 40 HKAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)c1C 8961197 MFDGJDPZJFWINF-UHFFFAOYSA-N 422.506 5.079 0 40 HKAB Oc1cc(OCc2ccc(Br)cc2)ccc1-c1n[nH]cc1-c1ccccc1 9130643 NXYMZUOAMAAXKF-UHFFFAOYSA-N 421.294 5.791 0 40 HKAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1cccc(Br)c1 10740871 FBRADNVNIKQAOF-UHFFFAOYSA-N 412.312 5.007 0 40 HKAB COc1ccc(-c2c(C)c3ccc(Nc4ccc(C)cc4)cc3oc2=O)cc1OC 11865089 XVTVLGYOJTTXNX-UHFFFAOYSA-N 401.462 5.838 0 40 HKAB biogenic Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)c1 12062698 XQWKSJOBRZXEJV-DEOSSOPVSA-N 424.500 5.678 0 40 HKAB CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(C3CCCCC3)cc2)c2ccccc21 12420073 LBEQQXKKBZSLPJ-AREMUKBSSA-N 405.538 5.342 0 40 HKAB Cc1ccc(Cl)c(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 12773892 QDKQMMRBJXFVSA-UHFFFAOYSA-N 400.931 5.043 0 40 HKAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N1CCCc2ccccc21 12812880 PCVOBNAQNNYLDD-CYBMUJFWSA-N 417.456 5.109 0 40 HKAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ncc(-c2ccccc2)o1 12886747 LOUIFJADBAEIHE-UHFFFAOYSA-N 423.822 5.084 0 40 HKAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccccc1C(F)(F)F 13133974 UWKOQRVOLGILJY-UHFFFAOYSA-N 413.421 5.241 0 40 HKAB COc1ccc(/N=c2\ssc3c2-c2cc(C)ccc2N(C)C3(C)C)c(OC)c1 13774342 KIRTWUVQXPNNFB-LNVKXUELSA-N 412.580 5.720 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)COc1ccc2ccccc2c1Br 14002516 ABZRIPYNTVPAIR-UHFFFAOYSA-N 404.691 5.582 0 40 HKAB C[C@@H]1Sc2ccc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)cc2NC1=O 14375366 PANJGCVOKURGKJ-JTQLQIEISA-N 415.927 5.149 0 40 HKAB Cc1csc(NC(=O)c2ccccc2Sc2ncnc3sc4c(c23)CCC4)n1 15007218 CVXUWWDSAGVYFI-UHFFFAOYSA-N 424.576 5.348 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 16193230 JDHRPLKJXWMHSS-UHFFFAOYSA-N 424.909 5.886 0 40 HKAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 16870816 VOIJCKTVJIMBOR-JTQLQIEISA-N 416.852 5.437 0 40 HKAB C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@]12C 17185587 PBSOPSDEYNTFAZ-QHQHMAFLSA-N 404.591 5.688 0 40 HKAB Cc1ccc2c(c1)[nH]c(=S)n2/C=C(/c1ccccc1)[S@](=O)Cc1ccccc1 17223414 UHVIYNSKKNNIDC-UWTASOAKSA-N 404.560 5.912 0 40 HKAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 20139913 VZXQITSLDXZOBJ-UHFFFAOYSA-N 410.640 5.857 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2oc3c(C)c(C)ccc3c2C)N2CCC(C)CC2)o1 21659838 LBWVGLODZKNUSY-NRFANRHFSA-N 408.542 5.462 0 40 HKAB O=C(Nc1cccc(CNC[C@H](c2ccco2)N2CCCC2)c1)c1ccccc1Cl 22933775 JUNMYIMKZXUOPB-JOCHJYFZSA-N 423.944 5.112 0 40 HKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(Cl)ccc1OC 23053412 FANOTNHUIBNZRD-UHFFFAOYSA-N 420.296 5.104 0 40 HKAB Cc1cc(C)cc(O[C@H](C)C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)c1 28290842 BKLLHZIJOSBYQS-QGZVFWFLSA-N 412.892 5.492 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)n2)cc1 32578460 ZILISIPRXQBWMN-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CSc1ncc(Cl)c(C(=O)Nc2ccccc2SCc2ccsc2)n1 32753557 VXRDOLVOODQCQC-UHFFFAOYSA-N 407.973 5.458 0 40 HKAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 32778042 NPZQHXNKMNFMDN-XMMPIXPASA-N 413.546 5.364 0 40 HKAB CC(C)CCn1c(=O)c2sccc2n2c(SCc3cccc(Cl)c3)nnc12 35529049 QIJHZPXXPBFSGN-UHFFFAOYSA-N 418.975 5.098 0 40 HKAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccc(N[C@@H](C)c2ccccc2)cc1 40158556 CNWZICDZDRFJRN-SFHVURJKSA-N 404.558 5.510 0 40 HKAB CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(C(C)(C)C)cc2C(C)(C)C)C[C@H]1C(=O)O 42783086 RDEKYDXQCWNYBV-WMZOPIPTSA-N 419.562 5.123 0 40 HKAB CC(C)C[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 44885183 RNPBKGSBZGRNES-XMMPIXPASA-N 424.009 7.150 0 40 HKAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 44912836 QMWXSOSOKCEUMB-CRAIPNDOSA-N 403.353 5.183 0 40 HKAB COc1ccc(NC(=O)[C@H](C)S[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 58006617 HCYXWFZXELREBJ-AOMKIAJQSA-N 411.954 6.198 0 40 HKAB O=C(CSCc1ccc(Br)cc1)Nc1ccc(Br)cc1 58824253 ZSYFJAUYRFNWBG-UHFFFAOYSA-N 415.150 5.084 0 40 HKAB Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@@H](C)c3ccc4ccccc4c3)C2)c1 70039800 PLQHKAOQFNGCLA-WMZHIEFXSA-N 415.537 5.270 0 40 HKAB Cc1cccc(Nc2nnc(SCC(=O)N[C@@H](C)c3ccccc3Cl)s2)c1 89672879 QBCUKMYBHPLDFJ-ZDUSSCGKSA-N 418.975 5.213 0 40 HKAB CC(C)(C)Cn1c(N)nc2c(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)ccnc21 96029327 NYEQBUGWNAVBSQ-UHFFFAOYSA-N 420.536 5.553 0 40 HKAB COC1CCN(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 96104493 IJPVFLVMTZOSMU-UHFFFAOYSA-N 400.522 5.072 0 40 HKAB Cc1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4Cl)CC(O)=C32)cc1 102532673 FBOJNTQXPUKHBD-WXTAPIANSA-N 414.936 7.277 0 40 HKAB C[C@@H](CO)CCC[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118925406 QOZJGOAPWUNUFZ-WKXYXYBNSA-N 420.678 5.412 0 40 HKAB C[C@H]1CC[C@@](C)([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1(C)C 217715792 FZKJXOHSHQMYDW-YZKRRQQXSA-N 421.537 5.441 0 40 HKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)cc1C 222934120 DGNKZAOYKOVDIA-XZOQPEGZSA-N 404.583 5.118 0 40 HKAB O=C(Nc1ccccc1Cl)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224960081 TZCACOATMLIBKQ-UHFFFAOYSA-N 409.272 6.568 0 40 HKAB Cc1ccccc1C(=O)N1CCS/C1=C/c1csc(Nc2ccc(F)cc2)n1 225253997 OWKBXPMSCRJAJV-XDHOZWIPSA-N 411.527 5.522 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c(C)c1 225506208 CLYHCXFVXJZEHR-QHCPKHFHSA-N 418.562 5.556 0 40 HKAB Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c(C)c1 225583326 GHFAXFOHJTZKQZ-KRWDZBQOSA-N 402.941 5.185 0 40 HKAB S=C(NCCCOC1CCCC1)Nc1ccc(CSc2ccccc2)cc1 225619595 HFRAZZDBSHNIQO-UHFFFAOYSA-N 400.613 5.615 0 40 HKAB O=C(NCc1cncc(-c2cccs2)c1)c1cc(Br)ccc1Cl 225665687 PVBLRCQBPDVLST-UHFFFAOYSA-N 407.720 5.156 0 40 HKAB CCOc1cccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)c1 225862245 VZNHGOJIPYEQQE-UHFFFAOYSA-N 408.489 5.860 0 40 HKAB CSc1ncc(/C=C/C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cn1 408527878 CWIPUGUBJJPUPI-RMKNXTFCSA-N 404.520 5.127 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CSCc3ccccc3Cl)ccc21 408563781 PMWNDBSGMWUFGQ-UHFFFAOYSA-N 408.954 6.340 0 40 HKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408674703 BKIUZSROOUDMEU-UHFFFAOYSA-N 423.299 6.043 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(Cl)c3)n2)cc1C 408695268 PBCOREKPPKOZEV-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COC(=O)c1cccc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)c1C 408813037 DGLVFKUMPJACMT-MOSHPQCFSA-N 419.458 5.283 0 40 HKAB O=S(=O)(Nc1ccc(CSc2ccccc2)cc1)c1cc(Cl)ccc1Cl 409180814 SDUVYIQRCJNWPA-UHFFFAOYSA-N 424.374 6.087 0 40 HKAB CCOc1cc(C)c(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1C(C)C 409188321 GNPZZYXIEJANRK-UDWIEESQSA-N 415.942 6.411 0 40 HKAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CCOc3ccc(C(C)(C)C)cc3)c12 409197860 QIDXRJPBZMLVTQ-UHFFFAOYSA-N 417.471 6.325 0 40 HKAB CCCc1cnc(Nc2cccc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)s1 2037836179 RQDJBOHBZQXYJL-HNNXBMFYSA-N 402.564 5.349 0 40 HKAB Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc3c(cc12)CCCCCC3 850133 CJMQFZUZDYKTKV-UHFFFAOYSA-N 419.472 5.809 0 40 HKAB O=C1NC2(CCCC2)Nc2c1sc1nc(-c3cccs3)cc(C(F)(F)F)c21 1017334 DSYIJYMMQNBKKT-UHFFFAOYSA-N 409.458 5.469 0 40 HKAB O=C(CSc1nnc2ccc3ccccc3n12)c1ccc(Oc2ccccc2)cc1 1105096 HWIYRCDFLRVDCM-UHFFFAOYSA-N 411.486 5.650 0 40 HKAB Cc1sc2nc(SCc3cccc(F)c3)n(Cc3ccco3)c(=O)c2c1C 1105440 RSBLCIVJKURHEW-UHFFFAOYSA-N 400.500 5.148 0 40 HKAB c1ccc(-c2ccc(O[C@@H]3OCCO[C@H]3Oc3ccc(-c4ccccc4)cc3)cc2)cc1 2062010 YLJPPQWLDXIAMQ-NSOVKSMOSA-N 424.496 6.177 0 40 HKAB O=C1c2ccccc2[C@](O)([C@@H](Cc2ccccc2)c2ccccc2)N1Cc1ccccc1 2117972 TUSWLPKKCDOOCI-YTMVLYRLSA-N 419.524 5.514 0 40 HKAB CCN(CC)c1ccc2cc(-c3nc(-c4ccc5c(c4)OCO5)cs3)c(=O)oc2c1 2206711 PIAHDCBCBKGJEM-UHFFFAOYSA-N 420.490 5.158 0 40 HKAB CCCCCCc1cc2cc(-c3nc(-c4ccccc4)cs3)c(=O)oc2cc1O 2239907 GFWPNAANXOIFAX-UHFFFAOYSA-N 405.519 6.412 0 40 HKAB biogenic COc1cnc(SCc2c(Cl)cccc2Cl)nc1Sc1ccccc1 3133209 UMUAFILSRUJELP-UHFFFAOYSA-N 409.363 6.236 0 40 HKAB O=C(Nc1ccc(F)cc1F)c1sccc1OCc1cccc(C(F)(F)F)c1 3134843 ALPRZNGOCROHID-UHFFFAOYSA-N 413.367 5.876 0 40 HKAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)C(c1ccccc1)c1ccccc1 3241795 JBTQHLYAUBCRES-UHFFFAOYSA-N 422.532 5.442 0 40 HKAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)c(O)c1 3295489 SZXHTZOJQKCVME-UHFFFAOYSA-N 418.493 5.043 0 40 HKAB O=C(c1ccccc1)[C@@H](OC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccccc1 3376606 QEIKHYQQNUFHBM-DEOSSOPVSA-N 418.920 6.319 0 40 HKAB Cc1cccc(Nc2ccccc2C(=O)N(C)CCOc2ccc(Cl)cc2)c1C 3421993 KKBBHCWJVUETLI-UHFFFAOYSA-N 408.929 5.851 0 40 HKAB CC1=C(CC[C@H](C)CO)O[C@H]2C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]12 4074037 KIDQUNOGEXTBNB-XQHGMMPWSA-N 414.630 5.618 0 40 HKAB biogenic O=C(CSc1ccc2nc(-c3ccccc3)cn2n1)Nc1cccc2ccccc12 4251184 LIIDYIACZKPXRF-UHFFFAOYSA-N 410.502 5.280 0 40 HKAB COc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)nc(-c3ccncc3)n2)cc1 4722748 ULCCDONYXTVGGL-UHFFFAOYSA-N 408.288 6.188 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1C 4866241 SIKRVVDWUSCWJI-UHFFFAOYSA-N 420.896 6.334 0 40 HKAB CCCCNC(=O)CSc1nc(-c2ccccc2)nc2c(C(F)(F)F)cccc12 4894969 XFBVFYRQYDNMLE-UHFFFAOYSA-N 419.472 5.324 0 40 HKAB CCCCSc1nnc2n(CCCC)c3c(c(=O)n12)[C@@](C)(CC)Cc1ccccc1-3 5063899 VJYHVSFTKJBEPD-DEOSSOPVSA-N 424.614 5.474 0 40 HKAB Cc1ccc(Nc2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1 5204877 KTJQZECUFOLNHV-UHFFFAOYSA-N 404.945 6.708 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c2ccccc12 5543029 KEPSLEQSIYUAPJ-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB O=C(CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)c1ccccc1 6228816 RKCCTZXELIQMFQ-UHFFFAOYSA-N 403.482 5.108 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cc2ccccc2o1 6356586 JOKQTXSLDMFXGN-UHFFFAOYSA-N 412.902 5.095 0 40 HKAB COc1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1NC(=O)C(C)C 6357757 NKPOOXWYOJEBNU-UHFFFAOYSA-N 402.903 5.410 0 40 HKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 6455516 CXMIOHQZKLGUFM-SECBINFHSA-N 405.144 5.875 0 40 HKAB Cc1ccc(OCc2ccc(C(=O)Nc3ncc(-c4ccccc4)s3)cc2)cc1 6479700 UWEUCDMKLRVABN-UHFFFAOYSA-N 400.503 5.950 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)c(C)c1 6660651 YCCKGNXIGJXRNY-UHFFFAOYSA-N 421.570 5.193 0 40 HKAB CCc1ccc(N(Cc2ccc(F)cc2)Cc2cc3ccc(OC)cc3[nH]c2=O)cc1 6733012 YRBYTXCOYSJJTM-UHFFFAOYSA-N 416.496 5.445 0 40 HKAB O=C(Nc1ccccc1Cc1ccccc1)c1cccc(NC(=O)c2cccs2)c1 7278401 QCXKXYOLYMNBGA-UHFFFAOYSA-N 412.514 5.844 0 40 HKAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 8273509 ZSJZMDQALLNQOA-UHFFFAOYSA-N 409.942 5.748 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)C1CCN(Cc2ccccc2)CC1 9062835 UTOXBGLXMMJCOK-UHFFFAOYSA-N 402.563 5.689 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)c1 9126500 ZMSWCWWRTKSCPO-UHFFFAOYSA-N 415.927 5.644 0 40 HKAB CSc1ncc(Cl)c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)n1 9305904 QLHUCKIZRRZXIK-UHFFFAOYSA-N 406.294 5.550 0 40 HKAB CCc1ccccc1NC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1 9476820 HLULKWSESYVQQH-UHFFFAOYSA-N 413.473 5.348 0 40 HKAB biogenic CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 12565759 AJCOJNIDPWQPOB-QBIMZIAESA-N 401.330 5.083 0 40 HKAB CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1cccc(C(F)(F)F)c1 12999363 OVKBUZPBTOFPEA-UHFFFAOYSA-N 409.458 5.507 0 40 HKAB Cc1ccc(C(=O)[C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN23)cc1 13616353 HYFDAIRVJVJFRB-QPPBQGQZSA-N 402.881 5.401 0 40 HKAB COc1ccc(OC)c([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN23)c1 13786426 MUHGJSQSIWIOBS-RDGATRHJSA-N 400.478 5.255 0 40 HKAB O=C(COc1ccccc1)c1cn(Cc2ccc(Br)cc2)c2ccccc12 14135962 IVZXWAKWGHXNPQ-UHFFFAOYSA-N 420.306 5.714 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3ccc(C)s3)c2)c1C 14405503 IURSDUDPDOCVNW-UHFFFAOYSA-N 410.543 5.175 0 40 HKAB O=C(CSCc1ccccc1)Nc1ccnn1Cc1cccc(Cl)c1Cl 15239764 XHFQLTGJJSIZSZ-UHFFFAOYSA-N 406.338 5.110 0 40 HKAB C[C@H]1SC2(CCC(C(C)(C)C)CC2)N(c2ccc(Cc3ccncc3)cc2)C1=O 15413882 KGOJXVPPCUEVQF-MFDWQKDMSA-N 408.611 6.073 0 40 HKAB CC(C)(C)c1ccc(-c2cc(=O)c3ccc(NC(=O)/C=C/c4ccccc4)cc3o2)cc1 15729325 MLJRDAJKMIZYHL-CXUHLZMHSA-N 423.512 6.409 0 40 HKAB biogenic O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(/Br)SCc1ccccc1 16958812 SQFBMGHDLVIEFP-KTKRTIGZSA-N 403.512 5.646 0 40 HKAB Cc1ccc(Nc2nc(N3CCC(C)CC3)nc3c2cnn3-c2ccccc2)cc1C 17052908 HQMJNIZPEVILRZ-UHFFFAOYSA-N 412.541 5.412 0 40 HKAB CCOc1ccccc1N/C=C1/C(=O)N(c2cccc(Cl)c2)C(=O)c2ccccc21 18021407 GCRVQBJTYABVLE-HMMYKYKNSA-N 418.880 5.379 0 40 HKAB CC(C)(C)n1nnnc1[C@@H](c1cccs1)N(Cc1ccccc1)Cc1cccs1 20098744 BDNWOZSOSSNPIR-HXUWFJFHSA-N 423.611 5.343 0 40 HKAB CCCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccc(OC)cc1)C3 20357854 QLHVSITYGADIMM-UHFFFAOYSA-N 413.901 5.150 0 40 HKAB CN(C)[C@H](CNCc1cn(-c2ccccc2)nc1-c1cccs1)c1cccs1 24981551 FUWTXGAZVFQWAD-LJQANCHMSA-N 408.596 5.055 0 40 HKAB CC(C)[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc2ccccc2[nH]1 32251921 IHTMJMAUVDKZOJ-OAQYLSRUSA-N 407.445 5.001 0 40 HKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 33572045 VEOZJDBUYNVZJU-CYFREDJKSA-N 416.521 5.282 0 40 HKAB CCc1ccccc1N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 35040639 FCQXFURHNGNFCI-LFIBNONCSA-N 404.354 5.417 0 40 HKAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(-c4ccno4)cc3)c12 36617420 LEWLDAKKZRBCSV-UHFFFAOYSA-N 414.396 5.245 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)N(Cc1ccsc1)Cc1ccccn1 44446226 UAMVFXSTDBYILS-UHFFFAOYSA-N 413.546 5.645 0 40 HKAB CC(C)n1cnc2c(-c3cccnc3)nc(C3CCN(Cc4ccsc4)CC3)cc21 96100008 ODOVSNZSFHNONS-UHFFFAOYSA-N 417.582 5.515 0 40 HKAB CC1(C)[C@@H]2C[C@@H]1CC=C2CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl 104176515 QJLPKHKSZWZRMV-QWHCGFSZSA-N 403.733 5.951 0 40 HKAB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1ccc(Oc2ccccc2)cc1 219452950 ONZISHKXPWRBIP-UHFFFAOYSA-N 422.484 6.011 0 40 HKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)c(C)c1 222889850 HYDLVKXTIPILNW-LEWJYISDSA-N 410.974 5.217 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COCc1ccccc1 224358098 ISVRURCVQBKOIJ-QGZVFWFLSA-N 409.913 5.556 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)NCc1ccc(CN2CCCCC2)cc1 224537482 VRNCIYYKLAWWMN-UHFFFAOYSA-N 420.981 5.015 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(C)cc2C)c1 408698434 NVLFVIXYAVIECW-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2ccc(Cl)cc2)cc1 408699216 SGERZWZBEZOJRV-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 408706060 UITUXVDMXOBRJT-OAQYLSRUSA-N 401.550 5.980 0 40 HKAB C/C(=C/c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl)[N+](=O)[O-] 408735990 ZJJCJVHBAQZRKD-WTKPLQERSA-N 407.080 6.517 0 40 HKAB CCOc1c(Cl)cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1Cl 408783071 JSGRNWIUWPGMOS-OWMRDYPQSA-N 423.365 5.554 0 40 HKAB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C1=O)c1ccccc1 409225144 OXNSZLDWNWKECJ-NDENLUEZSA-N 407.422 5.005 0 40 HKAB CC(C)CC1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 1535054674 FNJKXWKXIAEAQI-UHFFFAOYSA-N 407.510 5.148 0 40 HKAB COc1ccc([C@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCCC2)cc1 936748 IPHYIULARRFROB-HSZRJFAPSA-N 420.578 5.811 0 40 HKAB O=C(Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1)c1cccnc1 948531 FRIJFYUVEHORGE-UHFFFAOYSA-N 409.397 5.353 0 40 HKAB CCc1ccc2oc(-c3cc(NC(=O)c4cc5ccccc5o4)ccc3Cl)nc2c1 986726 IICDKFPXHAXMIP-UHFFFAOYSA-N 416.864 6.709 0 40 HKAB O=C(CSc1ccc(Br)cc1)Nc1ccc(OC(F)(F)F)cc1 1040920 MCVUVWGBFXQPDI-UHFFFAOYSA-N 406.223 5.079 0 40 HKAB COc1ccc(C(=O)CSc2nc(Cc3cccs3)nc3ccccc23)cc1 1342824 KXFCLBVKCPPOLK-UHFFFAOYSA-N 406.532 5.266 0 40 HKAB COc1ccc(-c2c/c(=N/c3cc(OC)ccc3OC)c3cc(C)ccc3o2)cc1 1927727 DPLGUVYXXRYVER-QLYXXIJNSA-N 401.462 5.666 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCC(=O)O)C1 2557377 JBALICPRCDQXRA-RDYSJTMESA-N 416.602 5.998 0 40 HKAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2cccc3ccccc23)cc1 2723228 YBNCXLPBAQUZJU-UHFFFAOYSA-N 403.507 5.155 0 40 HKAB Cc1cccc(NC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)c1 3226569 KSJHJXOQYKQMJQ-UHFFFAOYSA-N 419.575 6.856 0 40 HKAB CCCCOc1ccc(C(=O)OCC(=O)N(CC)c2cccc3ccccc23)cc1 3319234 JCBYOJQSKDOTGW-UHFFFAOYSA-N 405.494 5.229 0 40 HKAB CSc1nn(-c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2)c(=S)s1 3324843 IXVFLYGVWSLQRQ-UHFFFAOYSA-N 401.582 5.563 0 40 HKAB CCCCCOc1ccc(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)cc1 3339357 MHYSNLKWFZFNSZ-UHFFFAOYSA-N 423.509 5.355 0 40 HKAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)C1c2ccccc2-c2ccccc21 3411448 AOPUUJCPLZIQDL-UHFFFAOYSA-N 407.498 6.042 0 40 HKAB Cc1ccc(-c2nnc(SCC(=O)N[C@@H](C)C(C)C)nc2-c2ccc(C)cc2)cc1 3417707 BCWHQTPUXWKNPP-SFHVURJKSA-N 420.582 5.075 0 40 HKAB Cc1cc2occ(CC(=O)OCC(=O)c3ccc(NC(=O)CC(C)C)cc3)c2cc1C 3431810 FSZAEVILHRWRFL-UHFFFAOYSA-N 421.493 5.003 0 40 HKAB Cc1cn(-c2nc(-c3ccccc3)oc2-c2ccccc2)c(=O)nc1Nc1ccccc1 3667387 VDTLRJXQSBPBCS-UHFFFAOYSA-N 420.472 5.607 0 40 HKAB Cc1ccc(-n2c(SCc3ccc(F)cc3)nc3c([nH]c4ccccc43)c2=O)cc1 4106593 ANBJKNHZINBGJE-UHFFFAOYSA-N 415.493 5.607 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cn(C)c4ccccc24)N3)C1 4109070 KZNPQXXXFLYLBR-SZNDQCEHSA-N 407.583 6.210 0 40 HKAB O=C(OCCCCCCCCCCOC(=O)c1ccc(O)cc1)c1ccc(O)cc1 4458735 AAIYZNZVJSEINM-UHFFFAOYSA-N 414.498 5.232 0 40 HKAB biogenic Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1c(Cl)cccc1Cl 4679285 VRYKKYIOFMAROE-UHFFFAOYSA-N 401.124 6.313 0 40 HKAB CCc1sc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)nc1-c1ccccc1 4680052 XQGKGZIJPMGKNN-UHFFFAOYSA-N 400.931 5.822 0 40 HKAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(F)c2)n2c(nc3ccccc32)N1 4767898 NVMPOKWJSZWFIF-QFIPXVFZSA-N 405.473 5.340 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1 4883249 PMQWLGQMTPXPQH-AYHJJNSGSA-N 423.504 5.474 0 40 HKAB Cc1cccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2ccc(F)cc2)c1 4890716 XRQYDFJWJZXMBI-UHFFFAOYSA-N 423.557 5.758 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)c1ncoc1-c1ccccc1C(F)(F)F 5002046 FVLLAZZZNFVLAW-UHFFFAOYSA-N 408.379 6.280 0 40 HKAB COc1cccc([C@@H]2c3cc4c(cc3O[C@H](Nc3ccccc3)[C@H]2C)OCO4)c1OC 5551688 GBOIKVXJSZURGV-ZFNHMYRTSA-N 419.477 5.031 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCC(C)C)c2ccccc12 6205978 HLNWIPBGKUNVDN-QFIPXVFZSA-N 422.550 5.642 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1C 6301197 SNZQHBSISABOBB-UHFFFAOYSA-N 410.351 5.347 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4C)ccc3o2)cc1C 6547548 ANDJPVAFNLPKNT-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1nc(-c2ccco2)c(-c2ccco2)s1 6609047 LKWFCQBIJYVBLD-SOFGYWHQSA-N 406.419 5.044 0 40 HKAB O=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)C1CCCCC1 6752605 FDZOYJYDQMEPCW-UHFFFAOYSA-N 409.961 5.367 0 40 HKAB Cc1nc(NCC(=O)Nc2c(C)cccc2C)c2cc(-c3ccccc3)sc2n1 6874147 PQVVYVXGOIKXBF-UHFFFAOYSA-N 402.523 5.334 0 40 HKAB COc1cccc(N(C(=O)c2ccc3ccccc3n2)c2nc3ccccc3s2)c1 7004900 HTEWMWKYEGVVKO-UHFFFAOYSA-N 411.486 5.832 0 40 HKAB CC(C)[C@@H](NC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C)c1ccc2c(c1)OCCCO2 7781095 HVPOOSQXFDUWOA-DHIUTWEWSA-N 415.961 5.754 0 40 HKAB Cc1ccc(C(C)C)c(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)c1 7928794 QFMRVHLNLGFBKR-AWEZNQCLSA-N 406.309 5.384 0 40 HKAB Cc1ccc(SCCCC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 9473873 BVIZJCLWKYFURV-UHFFFAOYSA-N 422.619 6.508 0 40 HKAB COc1cc(-c2nc3cc(NC(=O)c4cccc(C)c4)ccc3o2)cc(OC)c1OC 10120151 WSNQULXWNQXIMG-UHFFFAOYSA-N 418.449 5.081 0 40 HKAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(C)C 10358729 BFFNQPHKGFMHTK-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)OCC(=O)c3ccccc3)cc12 13095428 XSBYLAZTGLCINS-UHFFFAOYSA-N 424.909 5.148 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(C#Cc4ccccc4)=CC[C@H]32)C1 13399806 CKXFHIVEFDOLKD-SCFPKKRUSA-N 416.605 6.549 0 40 HKAB biogenic O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCN(c2ccccc2F)CC1 13687612 OGERUCXIOJYEMW-UHFFFAOYSA-N 424.903 5.021 0 40 HKAB Cc1noc(C)c1COc1ccc(CC(=O)NCCC23CC4CC(CC(C4)C2)C3)cc1 15951718 HKVNRIVAXSLRMI-UHFFFAOYSA-N 422.569 5.136 0 40 HKAB O[C@H](CNCc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccccc1 16477372 NFRMYGVHJWDVFK-RUZDIDTESA-N 401.481 5.381 0 40 HKAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 17090969 XBIUTDHHSLZGSF-UHFFFAOYSA-N 417.292 6.100 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccccn1 17091340 ZVYFMSGGPJQVCF-RMKNXTFCSA-N 418.305 5.175 0 40 HKAB O=C(NC(=S)Nc1nc2ccccc2s1)c1cccc(OCc2ccccc2)c1 17091896 UUQKWOCEBWUXCS-UHFFFAOYSA-N 419.531 5.002 0 40 HKAB CCc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 20797265 XCLIVAKJTCWTSC-DEOSSOPVSA-N 408.505 5.526 0 40 HKAB S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(-c2cc(Cl)ccc2Cl)o1 22111345 SYDLUXIAJUNLKU-UHFFFAOYSA-N 417.321 5.918 0 40 HKAB Cc1sc2nc(S[C@H](C(=O)Nc3ccccc3)c3ccccc3)nc(N)c2c1C 24834037 MFYCICJXCBMCPH-SFHVURJKSA-N 420.563 5.362 0 40 HKAB Cc1ccc2[nH]c(SCc3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)nc2c1 32117964 UELGIQLMMKERMD-UHFFFAOYSA-N 421.953 6.378 0 40 HKAB O=C(c1ccco1)[C@@H]([C@H](c1ccc(Cl)cc1)N1CCCCC1)N1CCCCC1 32559907 ABBUBZLTHBIYDK-FCHUYYIVSA-N 400.950 5.197 0 40 HKAB O=C(NCCc1cccs1)c1ccccc1CSc1nc2ccccc2s1 32988782 GJBFPHDBIWXAAA-UHFFFAOYSA-N 410.589 5.623 0 40 HKAB COc1ccccc1[C@H](C)N(C)C(=O)CCc1ncc(-c2ccc(CC(C)C)cc2)o1 40069870 UBVNIQOAMYAANO-IBGZPJMESA-N 420.553 5.701 0 40 HKAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 44945688 NDGCIMMMXQOZLM-DEOSSOPVSA-N 407.485 5.187 0 40 HKAB O=C(c1ccc(Oc2cccc(Br)c2)nc1)N1CCCc2ccccc21 48290207 KSSWMIGOQAWUTL-UHFFFAOYSA-N 409.283 5.229 0 40 HKAB Cc1ccc(-c2c(C)sc3ncnc(N4CCN(Cc5ccccc5)CC4)c23)cc1 55416889 KLWKCPUCEZWGCN-UHFFFAOYSA-N 414.578 5.297 0 40 HKAB C[C@@H]1CC2=C(N=C3SCC(=O)N3[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 67172436 XELTXHVYKDGUON-DYLPKHOGSA-N 422.500 5.719 0 40 HKAB CC(C)c1noc([C@H](C)N2CCCc3c(NC(=O)c4ccc(F)cc4)cccc32)n1 69738712 VXQHZKXBDKSJSF-HNNXBMFYSA-N 408.477 5.098 0 40 HKAB CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)C=C[C@@H](c4ccccc4)[C@H]3C2=O)cc1 100521117 QVHCBIHNSPQTPJ-FATVKVNYSA-N 423.512 5.328 0 40 HKAB C[C@]12CC3CC(C(=O)Nc4nc5ccc(Br)cc5s4)(C1)C[C@](C)(C3)C2 102102136 FWSFDMSBICPTCC-NSMVARRGSA-N 419.388 5.994 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1Cl 222848243 JKGASVREZYJWCC-ZFGQVMFLSA-N 423.984 6.522 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COc1ccccc1 224086329 CAGSJZVFIBQGOL-UHFFFAOYSA-N 412.283 5.289 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1c1ccccc1 224174234 HQKLDGKQQPYHFS-PKTZIBPZSA-N 402.567 5.565 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)c1 224231102 HXZLXVDXINPONJ-XZOQPEGZSA-N 402.567 5.484 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)c(Br)c1 224250914 TXHOANZFQXVREG-UHFFFAOYSA-N 424.338 5.842 0 40 HKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C1CC1 224425436 RXKWETVMYAKICF-VXKWHMMOSA-N 406.530 5.151 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccc(C)cc1 224467235 NNJAJTBNNDTGBA-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB S=C(Nc1ccc(Oc2ccccc2)cc1)NC1CCN(Cc2cccs2)CC1 225230312 BRQFFQNOOSVMAU-UHFFFAOYSA-N 423.607 5.491 0 40 HKAB O=C(CSc1nc2ccccc2s1)N1c2ccccc2S[C@@H]2C=CC=C[C@H]21 408542261 IAPJZVQXXRVAGX-CRAIPNDOSA-N 408.573 5.391 0 40 HKAB CCCc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(CC)c1-c1ccc(C)cc1 408561563 JRTKNOFICOLSCD-RFBIWTDZSA-N 420.622 6.536 0 40 HKAB COc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3C)n2)c1 408696486 AFEVLMVECIRQHM-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB CCCCCN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 409212328 OXWNMUIMBNGJGC-WJDWOHSUSA-N 410.322 6.480 0 40 HKAB COc1ccc(C(=O)Oc2ccc(Cl)cc2Br)cc1Br 676658 GAYIQCMIHGFOGO-UHFFFAOYSA-N 420.484 5.093 0 40 HKAB C[C@@H]1C[C@@H](NC(=O)c2cccc(C(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 2186689 GEDYDMDWVRNOIZ-VVIORFSUSA-N 412.618 5.576 0 40 HKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2Cl)n1CC 2453846 STWNIUAPPXNAQG-UHFFFAOYSA-N 414.962 5.220 0 40 HKAB Cc1cc(C)c(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)c(C)c1 2652578 YSYYESXOSFDQQL-UHFFFAOYSA-N 415.558 7.044 0 40 HKAB COc1ccccc1Oc1coc2cc(OCc3cccc4ccccc34)ccc2c1=O 2666312 YOTICPHMPFHZCN-UHFFFAOYSA-N 424.452 6.326 0 40 HKAB biogenic CCc1ccc(-c2nnc3c4cc(OC)c(OC)cc4n(Cc4ccccc4)cc2-3)cc1 2691294 FYHDMPAVZOLWPW-UHFFFAOYSA-N 423.516 5.831 0 40 HKAB Cc1ccc([C@@H](NC(=O)N[C@H](C)c2ccccc2)C(Cl)(Cl)Cl)cc1F 3174710 LKGCVUIDLOLTOM-MLGOLLRUSA-N 403.712 5.606 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn12 3236054 PNRINBHGNXBPPB-UHFFFAOYSA-N 423.516 5.418 0 40 HKAB C[C@H]1CCCC[C@H]1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 3290382 OQPQGIWVJZUOGT-JOYOIKCWSA-N 401.384 5.391 0 40 HKAB Clc1ccccc1OCCSc1nc(-c2ccccc2)c(-c2ccccc2)o1 3325968 ZNOIMEAJWVKPHI-UHFFFAOYSA-N 407.922 6.833 0 40 HKAB Cc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)n1Cc1ccccc1 3332584 RZFLMIIZYDWYOC-UHFFFAOYSA-N 414.534 5.033 0 40 HKAB FC(F)(F)c1cc(-c2ccccc2)nc2c1c(-c1ccccc1)nn2-c1ccccc1 3642150 WQJACDYIMSBHMI-UHFFFAOYSA-N 415.418 6.773 0 40 HKAB Clc1ccccc1[C@H]1C[C@H](c2ccc(OCc3ccccc3)cc2)n2ncnc2N1 3642323 UPBNHTULMAMQOF-DHIUTWEWSA-N 416.912 5.657 0 40 HKAB COc1ccc(-n2nc3c(c2NC(=O)c2ccc(C(C)(C)C)cc2)CSC3)cc1 4077238 NDWZUPFEAJPWFM-UHFFFAOYSA-N 407.539 5.178 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)OCC)s2)cc1 4427901 WRGXZONKSSFPLX-UHFFFAOYSA-N 424.522 5.418 0 40 HKAB Cc1ccc(CN2C(=O)[C@](O)(c3c(C)[nH]c4ccccc34)c3cc(Cl)ccc32)cc1 4544070 BSAXKFRQWPLQAA-RUZDIDTESA-N 416.908 5.221 0 40 HKAB CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 4561732 RJDWQLQWIGSBFC-MQVPCNEGSA-N 400.522 5.924 0 40 HKAB COc1ccc([C@H]2CC(c3ccccc3F)=NN2c2ccc(Cl)cc2)c(OC)c1 5008104 LCNNZFRHYWTMBG-JOCHJYFZSA-N 410.876 5.852 0 40 HKAB CC(C)c1ccc([C@@H](O)[P@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 5033093 BQKORMCNTWMRAI-PWUYWRBVSA-N 415.514 5.820 0 40 HKAB CCSc1ccccc1C(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 5240740 FWONLAJTSXEHJU-UHFFFAOYSA-N 400.525 5.192 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 5710638 IUMLNTKCTULDSQ-UHFFFAOYSA-N 404.491 5.541 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1C(F)(F)F)c1ccccc1 5936580 ANCLIOKDMZTNSH-HNNXBMFYSA-N 412.411 5.449 0 40 HKAB O=C(Nc1ccccc1)c1ccccc1[C@](O)(c1ccccc1)c1ccc(Cl)cc1 6582268 QZLIKSXFDZOARQ-SANMLTNESA-N 413.904 5.877 0 40 HKAB CCCCOc1cccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)c1 6652165 USLBVXRAPLUCGJ-UHFFFAOYSA-N 419.304 6.789 0 40 HKAB CCOc1ccc(CN(C)[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)cc1 6881024 UPLZIZFELRALLI-XMMPIXPASA-N 422.956 5.859 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1C 8041588 XGZRAIANLHTLAW-HNNXBMFYSA-N 412.382 5.427 0 40 HKAB CC[C@H](CO)NCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 8327035 NZRNNXWAZVGLGY-OAHLLOKOSA-N 418.748 5.095 0 40 HKAB C[C@@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1ccc(Br)o1 8709234 MOOMFWBYTFBYLH-AWEZNQCLSA-N 424.298 5.214 0 40 HKAB c1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5ccco5)nc4c32)cc1 8756767 BIOCNEUTARXNGJ-NRFANRHFSA-N 416.440 5.823 0 40 HKAB CN(C(=O)C[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@H]1CCOC(C)(C)C1 9053507 UILRNQWJILQPJY-SFTDATJTSA-N 403.925 5.417 0 40 HKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(Cl)c2)cc1C 9518403 IXIAJPMROTXPEF-UHFFFAOYSA-N 418.880 6.208 0 40 HKAB COc1cc(CNCc2ccco2)cc(Br)c1OCc1ccccc1F 9548065 QNLIARQRQVAFLH-UHFFFAOYSA-N 420.278 5.059 0 40 HKAB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3cc(Cl)cc(Cl)c3)CC2)cc1 9985449 QQCHKTOHUQCCBV-FARCUNLSSA-N 418.320 5.137 0 40 HKAB COc1cccc2sc(N(Cc3ccco3)C(=O)c3nc4ccccc4s3)nc12 10527266 RYBLEZLKRYHXFG-UHFFFAOYSA-N 421.503 5.355 0 40 HKAB CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 12193490 SDAMCNIMHRYSMR-ISKFKSNPSA-N 404.897 5.981 0 40 HKAB Cc1c(Cl)cc2nc(S[C@H](C)C(=O)c3ccc4c(c3)CCC4)oc2c1Cl 12372430 WEBBZKWCGGUXTF-LLVKDONJSA-N 406.334 6.295 0 40 HKAB O=C(COC(=O)c1c2c(nc3ccccc13)CC[C@@H](c1ccccc1)C2)c1ccccc1 13575328 YEDIRHDVUCPYKA-OAQYLSRUSA-N 421.496 5.547 0 40 HKAB O=C1c2ccccc2[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1c1ccccc1 13942346 GMZDSFJNDRKCFV-MHZLTWQESA-N 400.481 6.585 0 40 HKAB C[C@@H](Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1)c1nnc(-c2ccccc2)o1 14117323 TWYUNFQLCSFMMC-OAHLLOKOSA-N 404.853 5.761 0 40 HKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 14412638 ZCSRXFSOFFNERC-CQSZACIVSA-N 418.345 6.905 0 40 HKAB Fc1ccc(CCNCc2cc(Br)ccc2OCc2ccccc2)cc1 16480544 AMJFLBAHWDMQET-UHFFFAOYSA-N 414.318 5.500 0 40 HKAB Nc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1C(=O)c1ccccc1 16778037 PLONZBASCUKVFW-UHFFFAOYSA-N 424.287 5.471 0 40 HKAB CCn1ncc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(-c4ccccc4)c3n2)c1C 17088831 OLDKWXNGVTYWPC-UHFFFAOYSA-N 411.431 5.509 0 40 HKAB CCOc1ccc(N[C@H](c2ccccc2)c2cc3cc(OC)ccc3[nH]c2=O)cc1 19533543 SEOFJAWMJNUXSH-XMMPIXPASA-N 400.478 5.137 0 40 HKAB CC1CCN(c2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccccc23)CC1 20332415 FLYDIQVAEJSICH-UHFFFAOYSA-N 411.431 5.200 0 40 HKAB CCc1ccc(NC(=O)c2nnc3c(-c4ccc(Cl)cc4)c(CC)nn3c2C)cc1 20633832 UIMBHMNBRRNLJN-UHFFFAOYSA-N 419.916 5.130 0 40 HKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc5c(c4)OCCO5)c3)oc2cc1C 21578664 OPXXKIIZUJYNRT-UHFFFAOYSA-N 414.461 5.444 0 40 HKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cn2c3c(cccc3c1=O)CCC2 22235280 NYJZGGPICBXZMI-UHFFFAOYSA-N 407.684 5.160 0 40 HKAB COc1ccc(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCCCC2)cc1Cl 27584043 MKSBZNBGOHQRDA-OAQYLSRUSA-N 400.950 5.004 0 40 HKAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccc2)c1 32741069 BVBJKDXGTNEXGD-RUZDIDTESA-N 415.533 5.590 0 40 HKAB CCOC(=O)/C(=C/c1ccc(Cl)cc1Cl)c1nc2sc(C)c(C)c2c(=O)[nH]1 33680739 AARVCCPQKLSGNU-NTUHNPAUSA-N 423.321 5.012 0 40 HKAB CCN1C/C(=C/c2ccc(C(F)(F)F)cc2)c2nc3ccccc3c(C(=O)O)c2C1 35684783 AOYQUJTZWBNJII-PTNGSMBKSA-N 412.411 5.328 0 40 HKAB C[C@H]1C[C@@]2(C)Oc3ccccc3[C@H]3OC[C@]1(COC(=O)Nc1ccccc1)[C@@H](C)[C@H]32 38549461 UONFBIWUOHBYQS-MLAWXWHNSA-N 407.510 5.436 0 40 HKAB Cc1nc(C)c([C@@H](C)NC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)s1 56023249 XFVGUYFGQMXROH-GFCCVEGCSA-N 412.540 5.132 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N(C)Cc2cnn(-c3ccccc3)c2)c1 57293380 ATRAFPXKMIBIBL-SANMLTNESA-N 424.548 5.301 0 40 HKAB CCOC(=O)C1=C(C)N2C(=NC(c3ccc(C)cc3)=C[C@@H]2c2ccc(Cl)cc2)S1 67172430 FOVCQRAEUFRANJ-HXUWFJFHSA-N 424.953 5.944 0 40 HKAB CSc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)cc1 67296852 NQJCWRNWCDSODA-BZZOAKBMSA-N 401.491 5.343 0 40 HKAB COc1ccc(C)cc1-c1csc(NC(=O)c2cccnc2SC(F)F)n1 69325174 SXYCGOWANJETHP-UHFFFAOYSA-N 407.467 5.089 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(Nc3ccccc3)nc2)cc1 72214116 OKLPGLGFKLXZRD-JOCHJYFZSA-N 407.539 5.050 0 40 HKAB O=C(Nc1cccc(F)c1)c1cccc(NC(=O)N2CC[C@@H]2c2ccc(Cl)cc2)c1 79067841 UQKVFDIKWNJSLC-OAQYLSRUSA-N 423.875 5.710 0 40 HKAB CC(C)(C)c1nnc(COC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)o1 84325361 UOARJJBPGIHOGS-UHFFFAOYSA-N 418.824 5.611 0 40 HKAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)Cc1cn(C(C)C)c2ccccc12 96222305 HKCHDCYHYNSELE-QHCPKHFHSA-N 415.537 5.448 0 40 HKAB biogenic CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(OCC)cc2)o1 222892853 BTDQJLGTEBHLSS-FCHUYYIVSA-N 407.539 5.123 0 40 HKAB S=C(NCCSCc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1 225340245 XHXFFJIFARJPPK-UHFFFAOYSA-N 405.803 5.867 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(OCCCN3CCCCC3)cc2)CCC[C@@H](C)C1 225663926 VACMZFWGDKPIKW-PXDATVDWSA-N 416.606 5.255 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225703857 NPGPROKHZSHRDF-VWLOTQADSA-N 418.622 5.501 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cn1 225870625 KVKXFSAAQAFDBK-UHFFFAOYSA-N 421.368 6.408 0 40 HKAB COC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 226336658 XGIZBUFMEKWZKW-GQCTYLIASA-N 401.673 5.421 0 40 HKAB O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1ccc(Cl)cc1Cl 408559662 ASQFXHKQZJEURP-UHFFFAOYSA-N 417.239 6.388 0 40 HKAB CCCc1nc(S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)O)n[nH]1 408632137 NSDJTRDCRYEAFH-UVTDQMKNSA-N 421.931 5.373 0 40 HKAB O=C(Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2)c1cccc(Cl)c1 409064540 CUCYTUREFLUXHO-UHFFFAOYSA-N 424.953 5.463 0 40 HKAB O=C1N/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)N1c1ccc(Cl)cc1 409166461 FZUYGPFTDNWSIU-DEDYPNTBSA-N 422.843 5.155 0 40 HKAB CC(C)(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)no1 526052229 GVRFXXCCDJWHEN-INIZCTEOSA-N 404.297 5.561 0 40 HKAB CC(C)c1ccc(C(=O)c2cc3cc4c(cc3oc2=O)N(C)C(C)(C)C[C@@H]4C)cc1 618256374 IGURFAUQTPKALW-INIZCTEOSA-N 403.522 5.869 0 40 HKAB O=C(c1cc2cccc(F)c2[nH]1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 2037845977 JJPRHXKTXGCSMS-KRWDZBQOSA-N 421.447 5.045 0 40 HKAB Cc1cc(=O)oc2c(C3=Nc4ccccc4S[C@H](c4ccccc4)C3)c(O)ccc12 688066 OPNAJNYFSYMAAL-QFIPXVFZSA-N 413.498 6.165 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 2050776 OIAPGKQLCRVIQK-UHFFFAOYSA-N 400.478 6.153 0 40 HKAB COc1ccc([C@]23Oc4ccccc4[C@H](c4ccc(F)cc4)[C@H]2C3(Cl)Cl)cc1 2060237 PRQMJZPVAVTUSA-BDTNDASRSA-N 415.291 6.058 0 40 HKAB O=C(Oc1ccc(Br)c2ccccc12)N(c1ccccc1)c1ccccc1 2207258 AMFGXKBZZLNZFZ-UHFFFAOYSA-N 418.290 6.939 0 40 HKAB CC(C)Sc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2 2270656 SHXRBJCTLCXGQV-UHFFFAOYSA-N 416.590 5.827 0 40 HKAB Cc1oc2c(cc(NS(=O)(=O)c3ccccc3)c3ccccc32)c1C(=O)OC(C)C 2484243 QOZLKKDCSATISH-UHFFFAOYSA-N 423.490 5.260 0 40 HKAB CCc1sc(NC(=O)C2c3ccccc3Oc3ccccc32)nc1-c1ccccc1 2735023 ZYQOMPRLNJMOCG-UHFFFAOYSA-N 412.514 6.249 0 40 HKAB Cc1cccc(C)c1NCC(=O)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1 2887667 GJHYCIRCJRTQGZ-UHFFFAOYSA-N 420.365 5.708 0 40 HKAB O=C(Nc1ncc(Cc2ccc(SC(F)F)cc2)s1)c1cccnc1Cl 3169044 BYYMHHOSLQWICE-UHFFFAOYSA-N 411.886 5.349 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1OCc1ccccc1 3224938 IDUTYHSUKRJZSF-UHFFFAOYSA-N 409.869 5.023 0 40 HKAB COc1cc(Cl)c(C)cc1NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 3235229 VSSHLFURZFEUOU-UHFFFAOYSA-N 418.880 5.398 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)Cc1cccc(Cl)c1Cl 3390882 KTCYQCMUOAMDNU-LLVKDONJSA-N 401.721 5.114 0 40 HKAB Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CC2 3875982 WGVKWNUPNGFDFJ-RXYILKCJSA-N 416.690 8.532 0 40 HKAB biogenic,in-vitro C[C@H]1C[C@H](OC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]2C=C(Cl)C=C[C@@H]2S1 4110327 PCCPROCGFPNVMC-MVWHLILJSA-N 403.853 5.825 0 40 HKAB Fc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2cccc(F)c2)cc1 4314291 KMXUWQPAPXSPLI-OAQYLSRUSA-N 413.265 6.083 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2c(F)cccc2Cl)N3)C1 4554605 PUQUNKIYDIGFPG-ADLMAVQZSA-N 406.954 6.511 0 40 HKAB COCCn1c(-c2ccc(F)cc2)cnc1NCc1cccc(Oc2ccccc2)c1 4679413 RZUXZGJTZVXHSX-UHFFFAOYSA-N 417.484 5.740 0 40 HKAB Cc1ccc(C(=O)N(Cc2cc3cc(C)cc(C)c3nc2Cl)C2CCCCC2)cc1 4861284 AKWVYAFWMIDASW-UHFFFAOYSA-N 420.984 6.789 0 40 HKAB CC[C@@H](C)Cc1c(C)sc2nc(SCc3ccc(OC)c(F)c3)[nH]c(=O)c12 5165856 MYHXGSYNFQJLAR-LLVKDONJSA-N 406.548 5.322 0 40 HKAB C[C@H]1C[C@@H](C)CN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 5602983 HZGYJRYBXODOSF-JKSBSHDWSA-N 422.396 5.438 0 40 HKAB CCCCOc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3[C@@H](C)CCC)cc1 6072726 KHWKEPOCVIFWRU-IFXJQAMLSA-N 403.548 5.141 0 40 HKAB COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 6414256 SVNHBSJKFBONRV-XDHOZWIPSA-N 406.419 5.120 0 40 HKAB CCCOc1ccc(C2=NNC(c3ccc(OCC)cc3)=Nc3ccc(F)cc32)cc1 6500716 QLSGXFSAAVSNQC-UHFFFAOYSA-N 417.484 5.447 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2ccc(Cl)cc2)o1 6503872 QYQKUXHDTQIIDB-UHFFFAOYSA-N 408.310 5.006 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccc(Cl)cc1 6878342 GGEZDBHSRVJBII-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB N=C1NC(=O)/C(=C\c2cccc(OCCOc3ccc(C4CCCCC4)cc3)c2)S1 6974586 RJIGDBBDDYNFLF-CJLVFECKSA-N 422.550 5.331 0 40 HKAB O=C(O)c1ccccc1[C@@H]1Nc2ccc(CSc3ccccc3)cc2[C@@H]2C=CC[C@@H]21 7096019 PRSUSOZVJJAIGF-OHUGHZGNSA-N 413.542 6.504 0 40 HKAB C[C@@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)N[C@H](C)c1ccc(F)cc1 7653003 CKUADBJTBKLAJO-VXGBXAGGSA-N 405.878 5.117 0 40 HKAB Cc1ccc(-c2nc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)cs2)cc1 8073827 QWFGWAYJMCFGKU-UHFFFAOYSA-N 419.575 5.748 0 40 HKAB Cc1ccc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1NC(=O)c1ccco1 8156792 MAYAVMJZFINYJA-HNNXBMFYSA-N 419.506 5.283 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)[C@H](C)CC[C@]4(C)[C@@H]3CC[C@@]12C 8241200 GWWAUGFEXKPHIM-GGILHQEUSA-N 401.723 7.790 0 40 HKAB C[C@@H](NCc1cc(Cl)ccc1OCc1ccccc1)C12CC3CC(CC(C3)C1)C2 8534853 XTGKLAHHCRDMSP-VIAIDJOKSA-N 410.001 6.614 0 40 HKAB CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@@H]2CCCO2)cc1 8915828 AIQVVFKDZUPEIS-FQEVSTJZSA-N 422.352 5.142 0 40 HKAB Fc1cnc(Nc2ccccc2N2CCCC2)nc1Nc1ccccc1N1CCCC1 9235619 NTIISKTZXPBUQI-UHFFFAOYSA-N 418.520 5.303 0 40 HKAB Cc1cc(C)c2sc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)nc2c1 10066218 ANKZHYCRVTXOGK-UHFFFAOYSA-N 403.551 5.275 0 40 HKAB CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@@H]3c2ccsc2)cc1 10215749 NLEDJEWAOGNQHZ-ZJSXRUAMSA-N 420.534 5.788 0 40 HKAB CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)Nc3ccccc3)c2c1 11865160 ONKJWZVJDCGDQX-UHFFFAOYSA-N 424.456 6.413 0 40 HKAB biogenic Cc1cc(C)nc(Oc2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2)n1 12089924 VUZYPNQCNQHGRG-UHFFFAOYSA-N 423.516 6.046 0 40 HKAB Cc1nn([C@H](C)CC(=O)N2CCC[C@@H](c3cc4ccccc4cn3)C2)c(C)c1Cl 12188172 CSFVIJQEZPBRNV-FOIQADDNSA-N 410.949 5.059 0 40 HKAB COc1ccc(Cl)cc1C(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C 12653948 AYENDHOQRLHSBD-UHFFFAOYSA-N 420.296 5.103 0 40 HKAB C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 13426346 ULNUUSRBFWWGNO-QLFBSQMISA-N 423.504 5.433 0 40 HKAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H]2c2cccn2C)cc1Cl 13987975 DQANOALZNZNFCP-FYYLOGMGSA-N 423.944 5.204 0 40 HKAB COc1ccc(-c2csc(NC(=O)CCc3c[nH]c4ccccc34)n2)cc1Cl 14065945 JOSWZPDUFHUKOT-UHFFFAOYSA-N 411.914 5.525 0 40 HKAB Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1 14405090 LJWRJNSEQRUTQA-UHFFFAOYSA-N 424.504 5.302 0 40 HKAB Cc1ccccc1NC(=O)Cn1nc(COc2ccc(Cl)cc2Cl)oc1=S 16768950 RXCGYLFEKSPLDV-UHFFFAOYSA-N 424.309 5.039 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 17087627 RJQXEDHGUKIIPC-HUUCEWRRSA-N 407.341 5.778 0 40 HKAB CC1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccc(Cl)cc3)cc2)CC1 17089734 URDQQWVXYYNEHZ-NYYWCZLTSA-N 413.974 5.103 0 40 HKAB Cc1csc([C@@H](Cc2cccs2)NCc2ccccc2OC[C@H]2CCCO2)n1 19240108 HJAWLDKVUCKHEA-UYAOXDASSA-N 414.596 5.144 0 40 HKAB Cc1c(NC(=O)/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cccc1C(=O)O 20151073 ARIKVJLPUVZCPG-PKNBQFBNSA-N 415.367 5.624 0 40 HKAB Cc1ccc(OCCSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)cc1 20895092 CJYCMBDEDAEALE-UHFFFAOYSA-N 420.559 6.028 0 40 HKAB CCc1ccc(N2C[C@@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2CCCCC3)cc1 22408555 DBLZYMIKBGPCIU-MUUNZHRXSA-N 411.569 5.566 0 40 HKAB Cc1ccc(NC(=O)c2c(N)n(C(=O)c3ccccc3)c3ccccc23)cc1Cl 28535421 XAYUWSXJCLLWKD-UHFFFAOYSA-N 403.869 5.126 0 40 HKAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCC[C@H]1c1cccs1 29916483 ZXUQAHBXLVNDTJ-KRWDZBQOSA-N 417.987 5.351 0 40 HKAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)C3CCCCC3)CC[C@@H]12 30729149 YOVFVQWNQMEMNF-LVYWIKMTSA-N 400.603 6.090 0 40 HKAB biogenic,in-vitro C[C@@H](CCc1ccccc1)NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 30943812 PTOOZNWNIWNXIC-KRWDZBQOSA-N 419.396 5.343 0 40 HKAB Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@@H](c1ccccc1Cl)CC(O)=N2 32091454 OIKGVINVSTYPNV-CYBMUJFWSA-N 414.889 6.225 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)n2)cc1 32578473 KRIPBJBISSZKTD-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB COc1cc(C(=O)N(Cc2ccco2)C2CC2)ccc1OCc1ccc(Cl)cc1 32769392 CVSPBNISCOCQAA-UHFFFAOYSA-N 411.885 5.325 0 40 HKAB Cc1ccc2c(CC(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)coc2c1 33408981 SJJWMMGLQWQEQX-UHFFFAOYSA-N 412.514 6.508 0 40 HKAB NC(=O)c1sc2nc(C(F)F)cc(C3CC3)c2c1NC(=O)c1ccccc1Cl 35679185 LMOUGHOYNMSSEK-UHFFFAOYSA-N 421.856 5.116 0 40 HKAB COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2cc(-c3ccc(F)cc3)nn12 36615751 SEURRZZWXRJOSH-UHFFFAOYSA-N 416.239 5.296 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38834397 QPKWYFXYVRRURX-HXUWFJFHSA-N 420.940 5.983 0 40 HKAB CCCN1COc2ccc3c(=O)c(-c4ccc(OC)cc4)c(C(F)(F)F)oc3c2C1 57165235 QIOLUTARHGGUGQ-UHFFFAOYSA-N 419.399 5.049 0 40 HKAB O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)c1ccc(Cl)c(Cl)c1 58324397 QEHVOBJJNYKIOD-UHFFFAOYSA-N 411.716 5.525 0 40 HKAB O=C1S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccccc1 59418141 QXZKHWKDOHXTRP-KGENOOAVSA-N 405.450 5.646 0 40 HKAB Cc1ccc(-c2nnc(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)o2)cc1C 65185475 OKENODHKSGJOQG-UHFFFAOYSA-N 400.360 5.013 0 40 HKAB O=C(c1cnc2ccc(Cl)cc2c1NCc1cccc(Cl)c1)N1CCCCC1 72328470 GWJYJLVXHCDOQF-UHFFFAOYSA-N 414.336 5.780 0 40 HKAB C[C@H]1CC2=NC(Nc3nc4ccccc4o3)=N[C@H](c3cc(F)cc(F)c3)C2=C(O)C1 102664279 LZJXPHSQOZHITC-PRWKNARSSA-N 408.408 5.312 0 40 HKAB CC1(C)CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H](c3ccco3)C2=C(O)C1 102694489 NEJAFMBYSGMVGM-SFHVURJKSA-N 404.388 5.634 0 40 HKAB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1[C@@H]3C[C@H](c4ccccc43)[C@@H]12 104282748 WKKQGHSXCFJKSR-VXIFJJJUSA-N 406.136 5.164 0 40 HKAB COc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 107027503 VMJSIOJCKSBFRF-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB CC(=O)[C@@H]1C[C@H](O)C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@@H](C)CCC(=O)O)[C@]21C 118916747 GJWTZEMFQOBISH-KHDNLWFZSA-N 418.618 5.322 0 40 HKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 216428060 HVNKFHFOBGVXMG-OAQYLSRUSA-N 414.933 5.152 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219339691 AEFSGNCHFGGFEF-FCHUYYIVSA-N 419.521 5.424 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1Cc1ccccc1 223404143 FWBWGZCBQMZSET-ZEQRLZLVSA-N 416.594 5.561 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccc(-c2ccccc2)cc1 224215181 DAAKMSQHUYTLQT-UHFFFAOYSA-N 423.512 6.502 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1COc1ccccc1 224364633 IPVHWVRFZITRGC-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(Br)ccc1Cl 225073895 GSMIXHGZEWNRCL-UHFFFAOYSA-N 414.686 5.586 0 40 HKAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(Br)c(Cl)c1 225582302 RRZNOIBJECVDHH-CQSZACIVSA-N 418.832 5.044 0 40 HKAB Fc1ccc(C[n+]2cc(Br)cc(-c3nc4ccccc4o3)c2)c(Cl)c1 226308443 AFWFTLXRWRNNLY-UHFFFAOYSA-N 418.673 5.386 0 40 HKAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2ccc(Cc3cccc(F)c3)nc2)cc1 257278351 OBXHSZNFMGRDPZ-RUZDIDTESA-N 418.512 5.116 0 40 HKAB O=C(Nc1ccc(Br)cc1F)c1cccc(OCc2ccccc2)c1 310903750 PMJIQHZUAFQLFC-UHFFFAOYSA-N 400.247 5.420 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1C 408677308 CIECTGVTLVCPNT-HXUWFJFHSA-N 405.563 6.310 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2ccccc2)cc1C 408697948 KGTFGOXDUQYXEO-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB O=C1OC(c2ccc(F)cc2)=N/C1=C/c1cccc(OCc2ccc(Cl)cc2)c1 409075906 VDWXLEVRLHIOEA-FYJGNVAPSA-N 407.828 5.403 0 40 HKAB CC(C)Cn1c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nnc1-c1ccc(Cl)cc1 409108275 ZEFFRQIXQINJOU-IYBDPMFKSA-N 421.010 5.136 0 40 HKAB Cc1ccc(C)c(NCc2ccc(OCc3ccccc3F)c(Br)c2)c1 409116615 JRRSDIRWTKRZJE-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB Cc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 409118647 OVZRMKAXSSZVAR-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1ccsc1CN1CCc2nc(C(=O)Nc3ccc(Cl)cc3)sc2CC1 2055793368 VBVZXEDMEJYWMF-UHFFFAOYSA-N 417.987 5.020 0 40 HKAB CC(NC(=O)N(Cc1ccccc1)C[C@@H]1CC=CCC1)(C(F)(F)F)C(F)(F)F 652528 NMFBGXVIZXQAMV-OAHLLOKOSA-N 408.386 5.438 0 40 HKAB CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)/C=C/c2ccccc2)c2ccccc21 832676 RKNQSFIXDXLHEM-IPTZZGIJSA-N 410.517 5.619 0 40 HKAB C[C@H]1CCCCN1C(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 901018 YTEYXDRXXYVWMG-UONOGXRCSA-N 409.477 5.044 0 40 HKAB CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(OC(=O)c3ccccc3)cc12 998236 XKSHCHBGFZUIQA-UHFFFAOYSA-N 403.865 6.014 0 40 HKAB COc1cccc(C2(c3cccc(OC)c3)C[C@@H]2C(=O)Nc2ccc(C)c(C)c2)c1 1064235 QKDNDCHAXBJDJA-XMMPIXPASA-N 401.506 5.265 0 40 HKAB O=C(c1ccccc1F)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 1245059 HEGCPHTZVRULIH-SFHVURJKSA-N 413.246 5.173 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)cc4C)ccc3o2)cc1 1256347 DFMMUZPKFLEQIZ-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB CN(C(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12)c1ccc(Cl)cc1 1402424 NLLCISMCHOOPFD-UHFFFAOYSA-N 423.299 5.574 0 40 HKAB O=S(=O)(c1ccccc1)c1cnc(-c2ccccc2)nc1Oc1ccc(F)cc1F 1402556 ZXEMWKHKEVKZAV-UHFFFAOYSA-N 424.428 5.047 0 40 HKAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c(C(C)C)cc1Cl 2157431 GVVIYTQOPBLYIN-UHFFFAOYSA-N 421.924 6.020 0 40 HKAB CCCCc1nc2sc3c(NC4CCCCC4)ncnc3c2c2c1COC(C)(C)C2 2274748 NKNUNGXHLTZGRO-UHFFFAOYSA-N 424.614 6.178 0 40 HKAB CC(C)OC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CCCC2 2790455 ZRTYIXZFOXZMFN-UHFFFAOYSA-N 422.344 5.207 0 40 HKAB CCO[P@](=O)(C(NC(=O)/C=C/c1ccccc1)=C(Cl)Cl)c1ccccc1 3190241 JKVDAQFPIDSSHK-ODUIWNOOSA-N 410.237 5.060 0 40 HKAB CCCCC(=O)Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12 3655547 RRQXJZLOOBAOMS-UHFFFAOYSA-N 400.272 5.555 0 40 HKAB COc1ccc(C2=C[C@@H](c3ccccc3)[C@@H]3CCCC[C@]34Nc3ccccc3N24)cc1 3999120 VCIWUKDDAJEZBS-IBGGVINMSA-N 408.545 6.652 0 40 HKAB CN(C(=O)c1cccc(C(F)(F)F)c1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4078441 JMRKDIPXZSQLCO-UHFFFAOYSA-N 421.488 5.301 0 40 HKAB O=C1c2ccccc2[C@@H]2c3[nH]c4ccccc4c3[C@@H](c3c(F)cccc3Cl)CN12 4085146 QEWBYTGHNMAEMD-QMHKHESXSA-N 402.856 5.651 0 40 HKAB biogenic CN(C)CCCN(C(=O)c1cccc(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 4214930 APGXARINLGGVRW-UHFFFAOYSA-N 417.937 5.201 0 40 HKAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1cccc(C(F)(F)F)c1 4305477 USADDEPCLZWQGL-LJQANCHMSA-N 416.468 5.301 0 40 HKAB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccc2ccccc12 4543428 SAIRUPBYPNIXAQ-UHFFFAOYSA-N 420.512 7.332 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2n1Cc1ccccc1 4649730 VEOBTCMDNZAHJA-UHFFFAOYSA-N 401.535 5.432 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1Cl 4703855 KBECNVJNAPGISU-UHFFFAOYSA-N 404.897 6.832 0 40 HKAB CCN(CC)CCN(Cc1ccccc1)C(=O)C1c2ccccc2Oc2ccccc21 4769088 PJYGEANQOSQVPD-UHFFFAOYSA-N 414.549 5.295 0 40 HKAB C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 4784275 KTBPSSMXVPVMPV-HMILPKGGSA-N 421.496 5.093 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1cnc2c(c(C)nn2-c2ccccc2)c1Cl 4941124 FGJYPEAPOBYNRH-UHFFFAOYSA-N 411.292 5.596 0 40 HKAB CC1(C)[C@@H]2CC[C@@]1(C)c1nc(SCC(=O)c3ccc(-c4ccccc4)cc3)nnc12 5060052 AHURRZZITXAHIK-CLOONOSVSA-N 415.562 5.689 0 40 HKAB Clc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1cccs1)O2 5218209 KXCBZJUWWVWHBU-HRAATJIYSA-N 410.882 5.373 0 40 HKAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC(C)C)cc4)=NN32)cc1 5235398 QNHVIRAUOIERIW-AZGAKELHSA-N 414.505 5.725 0 40 HKAB CC(C)Oc1ccc([C@H](CCNCc2ccc3c(c2)OCO3)C2CCCCC2)cc1 5267403 GYYPLBBYBCVLSO-XMMPIXPASA-N 409.570 6.046 0 40 HKAB COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccccc3C)cc2O)cc1 5451327 IITQWWQLVAELTO-UHFFFAOYSA-N 401.462 5.919 0 40 HKAB biogenic Cc1occc1-c1nnc(S[C@H](C)C(=O)NCC2CCCCC2)n1-c1ccccc1 5883541 QPBBLUGOOHGAMR-QGZVFWFLSA-N 424.570 5.013 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(C)c4OC)cc3)nc2c1 5984570 DKZWZAAUTKBZME-MRXNPFEDSA-N 414.505 6.578 0 40 HKAB C[C@@H]1Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2N=C1c1ccc(C(C)(C)C)cc1 6078841 RDDCIYDSYCMEEI-INIZCTEOSA-N 418.610 6.287 0 40 HKAB Cc1cccc(OCCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1 6752562 WGSDEFQPQMNFEY-UHFFFAOYSA-N 419.569 5.053 0 40 HKAB aggregator COc1cccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)c3ccccc3n2)c1O 6848436 KLGCORXYRMAGTA-UHFFFAOYSA-N 412.276 6.061 0 40 HKAB Cc1nc(COc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cs1 7918036 WQLXXYZPAALISJ-UHFFFAOYSA-N 403.301 5.045 0 40 HKAB O=C(CCCC(=O)OCc1ccccc1F)Nc1ccc2c(c1)oc1ccccc12 8475423 FAGMNOZMUOCXEK-UHFFFAOYSA-N 405.425 5.577 0 40 HKAB O=C1c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H](c2cccc(F)c2)N1c1ccccc1 8715793 ZUOXJLUNHURXID-QFIPXVFZSA-N 403.844 5.619 0 40 HKAB COC(=O)c1ccc2nc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)sc2c1 8904274 JAHVRFBSRASHSF-UHFFFAOYSA-N 412.854 5.249 0 40 HKAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1cccc(Cl)c1 9307074 FWDRUDOJZPULEM-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CC[C@@H](C)C2 9404339 IAQNFNZNPQLLTB-MRVPVSSYSA-N 418.367 5.670 0 40 HKAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 9493468 QATNKZXSNBUSSE-UHFFFAOYSA-N 417.337 5.486 0 40 HKAB CC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc1 9660195 UZOJUIYRAFMIGM-UHFFFAOYSA-N 417.892 6.489 0 40 HKAB biogenic COc1ccc(CSc2nnc(-c3cccs3)n2C2CC2)cc1Br 9831834 KSAHKJMCECJVQW-UHFFFAOYSA-N 422.373 5.405 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 10009741 HYCVPOAQIQNKHU-UHFFFAOYSA-N 414.552 5.144 0 40 HKAB CC(C)c1ccc(Cc2cnc(NC(=O)c3cc4ccccc4c(=O)o3)s2)cc1 11689994 SRXDWYZOCLIXKO-UHFFFAOYSA-N 404.491 5.216 0 40 HKAB O=C(c1cc2ccccc2s1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 12360311 MZJQRJOFGNFZOY-UHFFFAOYSA-N 410.542 5.429 0 40 HKAB CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 13030895 JPUNBMOUKBNZAT-IBGZPJMESA-N 402.969 7.088 0 40 HKAB O=C(COc1c(C(=O)O)ccc2ccccc12)Nc1ccc(Oc2ccccc2)cc1 13086132 GSMMSSLXSNRYCN-UHFFFAOYSA-N 413.429 5.348 0 40 HKAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 13809951 CVPDBHKWYWGLPX-BOPFTXTBSA-N 417.770 5.963 0 40 HKAB Cc1c([C@@H]2c3ccccc3C(=O)N2C23CC4CC(CC(C4)C2)C3)c2ccccc2n1C 13944009 BMAJRQDRLPPAKW-RAXRNYJGSA-N 410.561 6.001 0 40 HKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 14665286 YIRGAYJZCYRDEH-GOSISDBHSA-N 422.569 5.453 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)c1 17093344 WRMWMFASBFXNDD-UHFFFAOYSA-N 422.912 5.697 0 40 HKAB CCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 17093349 VDGMWXMIQRPWAM-ACCUITESSA-N 422.912 6.299 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(CN[C@H](C)c3ccccc3Br)c2)cc1 17312601 ZPYGVOHAGSNBJF-QGZVFWFLSA-N 423.354 5.861 0 40 HKAB CC(C)Nc1n[nH]c2nc([C@@H]3CCCN3C(=O)C3CCCCC3)cc(C(F)(F)F)c12 19742535 KRXIHNHGRWQJBI-INIZCTEOSA-N 423.483 5.041 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C)c3)cc2Cl)cc1 20110770 OWHGAEORUWZPAF-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1cc(OCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)ccc1Br 20492692 AIRURRQWHUKZJZ-QHCPKHFHSA-N 424.338 5.351 0 40 HKAB CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccccc2)n2c(nc3ccccc32)N1 21005501 UAENYLIOGWBECC-JOCHJYFZSA-N 414.896 5.617 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N2CCC(C)CC2)o1 21659824 MDHKAMBEFPDWCR-OAQYLSRUSA-N 408.542 5.462 0 40 HKAB COc1cc(C(C)=O)ccc1OCc1csc(COc2ccc(Cl)cc2)n1 24827456 VSIXUSGJSHOCIC-UHFFFAOYSA-N 403.887 5.166 0 40 HKAB Cc1cc(OCC(=O)N(Cc2ccccc2Cl)c2ccccn2)cc(C)c1Cl 28291367 ZXSFZMMPUHIDAX-UHFFFAOYSA-N 415.320 5.617 0 40 HKAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3Cc2ccccc2)cc1F 36613408 NKPHAUORGXTSBP-UHFFFAOYSA-N 414.484 5.365 0 40 HKAB CCOc1c(Br)cc(CNc2ccc(C)cc2C)cc1Br 37509636 HGOYCWWOEZYNBK-UHFFFAOYSA-N 413.153 5.839 0 40 HKAB Cc1cc(C)cc(-c2nnc(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)o2)c1 49405247 NLNCUBRGBHNCSN-UHFFFAOYSA-N 400.360 5.013 0 40 HKAB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cc2ccccc2o1 57527444 BKKAHZYWAXVVNB-UHFFFAOYSA-N 411.505 5.007 0 40 HKAB Cc1ccc(C(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc23)cc1C 59294219 JSDXAMFOODQAMN-UHFFFAOYSA-N 414.958 5.952 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(NC(=O)c2ccccc2)c1 59477593 NMKWYJRTHXKGJV-BMRADRMJSA-N 408.457 5.851 0 40 HKAB O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)NC1CCCCC1 66123318 KDIWCXWYVSLDSO-UHFFFAOYSA-N 402.454 5.604 0 40 HKAB CCCC[C@H](O)c1cc(=O)oc2c(C(=O)[C@@H](C)CC)c(O)c(CC=C(C)C)c(O)c12 66124113 SHDUHTPASIJRFI-YOEHRIQHSA-N 416.514 5.165 0 40 HKAB biogenic,in-vitro Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)c(C)c1 67293149 YHXYNFUTJHTVSG-RWEWTDSWSA-N 406.869 5.458 0 40 HKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)c(N)cc1Cl 72229528 XYRSZCPPNVNOLE-UHFFFAOYSA-N 418.118 5.134 0 40 HKAB O=C(CCCc1ccccc1)N1CCC[C@H](c2nccnc2-c2ccccc2F)C1 72359159 GMPRJDWCZDWMSO-FQEVSTJZSA-N 403.501 5.012 0 40 HKAB Cc1cccc(CSCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 222737889 SLWRKEMPMVDYPT-IBGZPJMESA-N 418.562 5.358 0 40 HKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(OC)c(C)c1 222990544 FEUPOROYTAOFDS-QFIPXVFZSA-N 414.977 5.137 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1cc(C)cc(C)c1C 224277542 CWEGNLBVWRGLIX-UHFFFAOYSA-N 423.940 6.414 0 40 HKAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C 224297337 BUTJJGBKTLWMAP-GOTSBHOMSA-N 404.583 5.314 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1ccc(Cl)cc1 224498344 JZWVJVOCYRVDKR-UHFFFAOYSA-N 409.913 6.132 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 224560405 YADMMEQWJBAAJD-PKTZIBPZSA-N 407.554 5.450 0 40 HKAB CCOc1ccc(C(=O)N2CCCCCC2)cc1COc1cccc2ccccc12 224634374 QKGGJLGKFKWHEA-UHFFFAOYSA-N 403.522 5.834 0 40 HKAB Cc1ccccc1[C@H](NC(=S)Nc1cccc(Br)c1)c1ccccc1 225503128 DZQJREHJJRSGTM-HXUWFJFHSA-N 411.368 5.834 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225750247 RIFJOMYYNQYCLJ-XMMPIXPASA-N 404.595 5.255 0 40 HKAB Cc1ccc([C@H](NC(=S)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c(C)c1 225767541 IRIPQHWTQOVLME-OAQYLSRUSA-N 414.496 6.398 0 40 HKAB CC(C)C(=O)N[C@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(Cl)cc2F)C1 257202274 ALCYIJQQHZAKQX-TUNNFDKTSA-N 407.888 5.742 0 40 HKAB CCn1cc(CN2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)c(C)n1 257275553 NPWCPBCWXKGPGI-OAQYLSRUSA-N 408.977 5.230 0 40 HKAB CCOc1ccc2ccccc2c1/C=C1\S[C](Nc2ccc(Cl)cc2C)NC1=O 408814916 SPTRUFKITIAYKM-UHFFFAOYSA-N 423.945 5.963 0 40 HKAB COc1ccc2c(Cl)c(C(=O)Nc3ccc4ccccc4c3)sc2c1Cl 408969136 HZSBCTABJFOVBG-UHFFFAOYSA-N 402.302 6.622 0 40 HKAB CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OCc1cccc(F)c1 409111555 AWOMVORQZVFEIQ-UHFFFAOYSA-N 415.892 6.078 0 40 HKAB CCOc1ccc(NCc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 409113333 AIIIZQRIWUWRRV-UHFFFAOYSA-N 415.892 6.078 0 40 HKAB COCCCN1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 409229879 VSGVGPKLWYWSNU-MHWRWJLKSA-N 412.294 5.326 0 40 HKAB CN1C(=O)S/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)C1=O 409356892 HXBRIPOFLKWFSU-NVMNQCDNSA-N 417.317 5.663 0 40 HKAB CC(=O)N1CCCCCCCN(CCC(C)C)Cc2cc(Br)ccc21 643571053 SZQGUKRKJOHPSA-UHFFFAOYSA-N 409.412 5.614 0 40 HKAB O=Cc1ccc(OC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 644745 WHHKJNOUHGYZLU-KRWDZBQOSA-N 414.288 5.354 0 40 HKAB O=C(CSc1ccc(Cl)cc1)N1CCC(c2nc3ccccc3s2)CC1 1403823 BIBLNZCVSLZZJR-UHFFFAOYSA-N 402.972 5.448 0 40 HKAB O=C(O[C@@H](c1ccccc1)[C@@H](OC(=O)c1ccccc1)c1ccccc1)c1ccccc1 1678120 WCKDRBAZAZDBKR-UIOOFZCWSA-N 422.480 6.183 0 40 HKAB CCCOc1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1OCC 1774339 PJCDKEXYNNONJN-IUXPMGMMSA-N 421.827 5.150 0 40 HKAB CP(=O)(O[C@@H](c1ccccc1)C(F)(F)F)O[C@@H](c1ccccc1)C(F)(F)F 2219719 SAJRACRBCCSRNH-GJZGRUSLSA-N 412.266 6.450 0 40 HKAB Clc1ccc(-c2nnc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn23)cc1 2328184 RTCIPNYCDVNZQE-UHFFFAOYSA-N 415.671 5.090 0 40 HKAB CCCCCCOC(=O)c1c(N)n([C@H](C)c2ccccc2)c2nc3ccccc3nc12 2409292 BXVLEJMBWDDUOL-QGZVFWFLSA-N 416.525 5.513 0 40 HKAB FC(F)(F)c1cccc(COn2c(-c3ccccc3Cl)nc3ccccc32)c1 3052834 ZEFLTWGDIBEXOS-UHFFFAOYSA-N 402.803 6.004 0 40 HKAB O=C(CSc1ccc2ccccc2c1)O[C@@H](C(=O)c1ccccc1)c1ccccc1 3271879 SGZXYEJYFSVPHL-AREMUKBSSA-N 412.510 6.099 0 40 HKAB O=C(Cc1c(Cl)cccc1Cl)Nc1cc(Cl)ccc1NCc1ccccc1 3418973 LMBRUCPTEMPVKD-UHFFFAOYSA-N 419.739 6.440 0 40 HKAB Cc1cc(OCCCn2cc(C(=O)C3CCCCC3)c3ccccc32)ccc1Cl 3655952 OPJHRIALZOZMNO-UHFFFAOYSA-N 409.957 6.835 0 40 HKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2c(F)cccc2Cl)cc1 4145371 WVEAJLBWTMAYGN-UHFFFAOYSA-N 423.944 6.251 0 40 HKAB Cc1ccc(C)c(NC(=O)CN2C(=O)C[C@H](c3ccco3)Sc3ccccc32)c1 4162807 OPOCQISEHFHUIP-OAQYLSRUSA-N 406.507 5.105 0 40 HKAB Cc1ccc(-c2csc(N3N=C(c4ccc(C)c(C)c4)C[C@H]3c3ccccc3)n2)cc1 4652666 DUTLBTMWOCVTBO-SANMLTNESA-N 423.585 7.091 0 40 HKAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 4984300 SPOOLWGWRSECEE-SFHVURJKSA-N 414.534 5.060 0 40 HKAB Cc1ccc(C2=NN(c3ccccc3)[C@H](c3ccccc3)[C@@H]2NC2CCCCC2)cc1 5105030 YRQYUGOENIATHT-VSGBNLITSA-N 409.577 6.252 0 40 HKAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 5499635 NRJBKJKMAXPEQI-UHFFFAOYSA-N 424.570 5.040 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2ccc(Oc3cccc4cccnc34)cc2)c1 5743504 YDQRTBYTIVFSCC-UHFFFAOYSA-N 400.434 5.297 0 40 HKAB Cc1nc(CSc2nnc(COc3ccccc3F)n2-c2ccccc2)cs1 6128974 DFGFRKSYSJPFCA-UHFFFAOYSA-N 412.515 5.043 0 40 HKAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(OCc2ccccc2)cc1 6231847 PHXOEJMTHIOLNB-UHFFFAOYSA-N 401.384 5.302 0 40 HKAB CCn1c(COc2cccc(C)c2)nnc1SCc1ccc(Cl)c(Cl)c1 6605387 KWKCHEQFSBEDCC-UHFFFAOYSA-N 408.354 5.785 0 40 HKAB Cc1c(CSc2nnc(C3CC3)n2-c2ccccc2)noc1-c1ccc(F)cc1 7370899 GAMYTKMZNTWGBQ-UHFFFAOYSA-N 406.486 5.540 0 40 HKAB Cc1ccc(OCC(=O)N[C@H](c2ccccc2)c2cccs2)c(Br)c1 7527860 VEIJHNQOBYAUFQ-HXUWFJFHSA-N 416.340 5.104 0 40 HKAB COc1ccc(CNC(=O)[C@@H](C)Sc2ccc(Cl)c(C(F)(F)F)c2)cc1 7679860 BLQBPKDUQFTZSD-LLVKDONJSA-N 403.853 5.164 0 40 HKAB COc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1F 8041044 OPVADNDFZRBEAI-UHFFFAOYSA-N 407.850 5.081 0 40 HKAB COc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)c1ccc(F)cc1 9250156 GEZVQTGQNIFSJA-UHFFFAOYSA-N 424.497 5.073 0 40 HKAB O=C(NCC(c1ccccc1)c1ccccc1)c1ccc(OCc2cscn2)cc1 9337050 FDIJSICMILVBEM-UHFFFAOYSA-N 414.530 5.284 0 40 HKAB COc1ccccc1OCC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 10364289 IDTBNXXYIKAPNN-UHFFFAOYSA-N 417.505 5.241 0 40 HKAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2SCc2c(C)noc2C)cc1 11521861 GFWSWZPANKQRRV-KRWDZBQOSA-N 424.522 5.076 0 40 HKAB COc1ccccc1[C@H](c1c(NC(=O)c2ccco2)sc(C)c1C)N1CCCCC1 12746923 AEBGIIDZWBBPPW-JOCHJYFZSA-N 424.566 5.794 0 40 HKAB O=C1C[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)c2c(sc3c2CCCC3)N1 15085026 HKKOXVOYXUMUDP-FQEVSTJZSA-N 407.510 5.819 0 40 HKAB Fc1ccc(COc2ccc3ccccc3c2CNCCc2ccccc2F)cc1 16525956 XHNQWXZBWAKJKF-UHFFFAOYSA-N 403.472 6.029 0 40 HKAB CCCCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)cc1 17089484 AELWXYXCBBPHOY-UHFFFAOYSA-N 413.326 5.005 0 40 HKAB CCCCOc1ccc(C(=O)NC(=S)Nc2nc3c(C)cc(C)cc3s2)cc1 17089675 BDSXQIGXVPSNEB-UHFFFAOYSA-N 413.568 5.219 0 40 HKAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccccc1C(C)C 17092633 NJNMUDJKDNEVFY-UHFFFAOYSA-N 421.360 5.016 0 40 HKAB CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c(C)c1 17093414 TVUHBJQOQRTTJE-SDNWHVSQSA-N 422.956 6.715 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(/C=C\c2ccc(Cl)c(Cl)c2)o1 17176019 ZZCLSMYHLAYUMZ-WAPJZHGLSA-N 409.660 5.844 0 40 HKAB O=C1C[C@@H](c2cccc(Cl)c2)Cc2nc3nc(-c4ccc(Cl)cc4)nn3cc21 20796277 MZCNGVDNHJVUNI-AWEZNQCLSA-N 409.276 5.011 0 40 HKAB CC(C)CC(=O)Nc1ccc2nc(SCC(=O)N(C)c3ccccc3)sc2c1 20894846 GHOPBTOQJLZFAZ-UHFFFAOYSA-N 413.568 5.036 0 40 HKAB O=C(C1CCOCC1)N(c1ccc(SC(F)F)cc1)c1nc2ccccc2s1 23271064 XLFAPCOEPIWOFZ-UHFFFAOYSA-N 420.506 5.702 0 40 HKAB O=C(CSc1ccc(Br)cc1)N(Cc1ccccc1)c1ccccc1 31852232 YKSZWGLLSGWCGP-UHFFFAOYSA-N 412.352 5.775 0 40 HKAB Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@@H](c1cccc(Cl)c1)CC(O)=N2 32102514 GYGVHARTPUHBOA-CQSZACIVSA-N 414.889 6.225 0 40 HKAB Cc1ccc(OC(=O)c2nc(SCc3ccc(Cl)cc3)ncc2Cl)c(C)c1 32624092 QGBMFHRJVHMSTC-UHFFFAOYSA-N 419.333 5.912 0 40 HKAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)cc3)c12 36613544 HZTFDWYCGKKSSZ-UHFFFAOYSA-N 416.912 5.571 0 40 HKAB C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OC1c2ccccc2-c2ccccc21 39978320 KUIJDAULDRWCAR-OAHLLOKOSA-N 421.493 5.199 0 40 HKAB O=C(O)Cc1ccccc1-c1nc2cc(-c3ccccc3)cc(Br)c2o1 41127410 CIJMXLXIFBHTGS-UHFFFAOYSA-N 408.251 5.551 0 40 HKAB CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)cc2)cc1 59483195 ZRWUXQASGLZIEF-XMMPIXPASA-N 420.940 6.680 0 40 HKAB CC1(C)CC[C@H](NC(=O)NCc2cccc(NC(=O)C3CCC3)c2)c2ccccc21 69951773 MFKLCLLJQRBBEG-QFIPXVFZSA-N 405.542 5.037 0 40 HKAB Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)N[C@H](C)c3ccc4ccccc4c3)C2)c1 70039802 PLQHKAOQFNGCLA-AUSIDOKSSA-N 415.537 5.270 0 40 HKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 72215097 QJCVYZGPSKUYCK-DENIHFKCSA-N 409.574 5.959 0 40 HKAB O=C(c1cnc2ccccc2c1)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72356486 PHPQYOIVFKXVIW-HXUWFJFHSA-N 411.480 5.456 0 40 HKAB COc1ccc(CN2CCC(c3cc4c(ncn4C)c(-c4ccccc4)n3)CC2)cc1 96099930 FNPZWXKGLPYMEI-UHFFFAOYSA-N 412.537 5.024 0 40 HKAB O=C(Nc1ccc(C23C[C@@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1ccccc1 100845809 YQTWEVXDOHZBKW-RGHCOQMCSA-N 407.557 6.729 0 40 HKAB Cc1ccc(NC2=C[C@H](c3cccc4ccccc34)N(c3ccc(C)cc3)C2=O)cc1 103745271 CQYOMZORXPWSPP-HHHXNRCGSA-N 404.513 6.541 0 40 HKAB CC(C)=C1[C@@H]2c3ccccc3[C@@H]1[C@@]1(Cl)C(Cl)=C(Cl)S(=O)(=O)[C@]21Cl 104294185 XUKZDNARABUSEA-YXAMBPQSSA-N 410.149 5.205 0 40 HKAB O=C1S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N1Cc1ccccc1Cl 106684082 VNADRQSCRPYCPL-AUWJEWJLSA-N 414.697 5.589 0 40 HKAB CCCCC(=O)Nc1ccc(S[C@@H]2CC(=O)N(c3c(C)cccc3CC)C2=O)cc1 113563799 YBTWZGTUILLCNZ-HXUWFJFHSA-N 424.566 5.110 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914762 GVAODFIKHWYQPE-FOKBJMOMSA-N 416.646 5.971 0 40 HKAB CC[C@H](NC(=O)c1ccc(CN2CCCCCC2)cc1)c1ccc2c(c1)CCCC2 223111034 SGPHQKYDCYDFLF-SANMLTNESA-N 404.598 5.823 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)CSCc2ccc(Cl)cc2F)cc1 223272481 YHLZNPULQYTCLD-FQEVSTJZSA-N 409.954 5.625 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 224524248 SLOVDDAXDPXHKU-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)o2)cc1 224852804 YYCLSFAOSXSHHT-UHFFFAOYSA-N 414.461 5.714 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224876730 ILFCZZOBPWGJHM-UHFFFAOYSA-N 419.706 5.637 0 40 HKAB CCc1ccc(CC)c(CNC(=O)COc2ccc(C(C)C)cc2Br)c1 225699205 KNKHBJOYZAVXOV-UHFFFAOYSA-N 418.375 5.393 0 40 HKAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(CSc2ccccc2)cc1 225810436 VUISIVXYDVMJPS-UHFFFAOYSA-N 417.452 6.015 0 40 HKAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)C1 226070642 OVAHSFANFACHDY-RZUBCFFCSA-N 419.650 5.016 0 40 HKAB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 253514176 FXWAFDROLPRQFL-UYHNODBYSA-N 414.674 6.382 0 40 HKAB CCCCCCOP(O)(=NS(=O)(=O)c1ccc(C)cc1)OCCCCCC 334157843 AZGGABCBASBAKM-UHFFFAOYSA-N 419.524 5.816 0 40 HKAB CCOC(=O)C1=C(C)N=C(SCc2ccc(Cl)cc2)N[C@@H]1c1ccccc1 408988180 HKDNRIFYSJAWHI-LJQANCHMSA-N 400.931 5.111 0 40 HKAB Cc1ccccc1C(=O)N1CCCCCCCCN(C(=O)C2CC2)c2ccccc2C1 643589237 SCDXOJWIPOQWCX-UHFFFAOYSA-N 418.581 5.735 0 40 HKAB O=C1C=C(Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)c(Cl)c1 950119 GXVVAOHGYDSSLQ-UHFFFAOYSA-N 402.064 5.169 0 40 HKAB O=C(NC1CCCCC1)[C@H](c1ccco1)N(Cc1ccccc1)C(=O)c1cccs1 1333546 VEDZSICIOPYBQX-QFIPXVFZSA-N 422.550 5.174 0 40 HKAB O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)Cc1cc(F)ccc1-2 1717014 IKHLOSVJEXMGIO-UHFFFAOYSA-N 423.443 6.014 0 40 HKAB in-vitro CCOc1ccccc1/C=C1/SC(=O)N(CNc2ccccc2C(F)(F)F)C1=O 2185137 VAAAVLGTHKAQJR-GZTJUZNOSA-N 422.428 5.210 0 40 HKAB CCOC(=O)c1c(C)n(-c2ccccc2Br)c2c1cc(O)c1ccccc12 2280822 JECIEMRSABDMPR-UHFFFAOYSA-N 424.294 5.737 0 40 HKAB CC(C)c1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)cc1 2310147 KKCVDOHMMBIKKM-UHFFFAOYSA-N 407.344 7.841 0 40 HKAB CCCCOC(=O)c1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1 2363068 TYTPJFXYMCAZIJ-UHFFFAOYSA-N 415.497 5.133 0 40 HKAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1Cl 2452901 DAJGQCCLUBLZLP-UHFFFAOYSA-N 422.941 5.502 0 40 HKAB CCCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(Cl)cc1 2706411 HJVSJQUAARQMOR-UHFFFAOYSA-N 405.980 5.122 0 40 HKAB CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@@H](C)C3)cc1 2744902 BNPMXJHCSHKQSY-CQSZACIVSA-N 401.528 5.089 0 40 HKAB Cc1cccc(C)c1NC(=O)NC[C@H]1C[C@H](NC(=O)Nc2c(C)cccc2C)C1(C)C 3171924 XTUGKZFYRKYJNY-UXHICEINSA-N 422.573 5.278 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1ccccc1Cc1ccccc1 3217622 LCLQHLWDLNTAOO-UHFFFAOYSA-N 401.506 5.505 0 40 HKAB FC(F)(F)c1cnc(NNC(=S)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1 3305102 OOYBRJQJIZPDPW-UHFFFAOYSA-N 415.655 5.374 0 40 HKAB Cc1cc(C)cc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1 3438953 PHQNTQCSHGREHN-JLHYYAGUSA-N 411.480 5.947 0 40 HKAB CCCCCn1c(=S)[nH]c2cc(C(=O)Nc3cccc(Cl)c3)ccc2c1=O 3630049 HBUNCDSNYNQZTB-UHFFFAOYSA-N 401.919 5.155 0 40 HKAB CCCCCC1CCC(c2nnc(SCC(=O)c3ccc4ccccc4c3)o2)CC1 4036537 FMNSAMXYXKRGQQ-UHFFFAOYSA-N 422.594 7.052 0 40 HKAB O=C(CSc1ccc(F)cc1)N(Cc1ccccn1)c1nc2ccccc2s1 4304716 LIOYSFMYDAFJGS-UHFFFAOYSA-N 409.511 5.156 0 40 HKAB Brc1cccc(-c2c3c(nn2-c2ccccn2)CCc2ccccc2-3)c1 4406310 PREVCJBMGMZMLD-UHFFFAOYSA-N 402.295 5.462 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)c(O)c2)N3)C1 4554557 NNXNEHWXYZHHOE-BFUOFWGJSA-N 400.544 5.432 0 40 HKAB Cc1ccccc1OCCCn1c(/C=C/c2ccc(Cl)cc2)nc2ccccc21 4575354 SXJCNZIFEQAVJQ-DTQAZKPQSA-N 402.925 6.638 0 40 HKAB O=C(NC(Nc1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F)C1CCCCC1 4619299 OYLKHNKNOUVVMP-UHFFFAOYSA-N 402.766 5.269 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2ccc3ccccc3n2)c2ccccc2)c1 5079525 UKQOWBQMFQPFCB-XMMPIXPASA-N 410.473 5.388 0 40 HKAB Cc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)c2c(C)c(C)sc2n1 5429186 JTUYVOOWQLADGT-UHFFFAOYSA-N 412.367 5.654 0 40 HKAB Cc1ccc(Nc2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(C)s2)cc1 5745287 XYUXBRLOJDMHPB-UHFFFAOYSA-N 408.611 7.471 0 40 HKAB C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 6031046 DIFWJJFSELKWGA-IPQOMUISSA-N 424.713 8.233 0 40 HKAB biogenic,in-vitro O=C(O)CSc1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1 6616212 XVSZXJOBQNRSQG-UHFFFAOYSA-N 405.906 6.399 0 40 HKAB Cc1ccc(-c2nc(SCC(=O)N3CCCCC3)[nH]c2-c2ccc(C)cc2)cc1 6653633 ZDXHPDRJDNYOEM-UHFFFAOYSA-N 405.567 5.465 0 40 HKAB CCc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCc2ccccc2)cc1 6752874 HIKROLMARGZXTK-AREMUKBSSA-N 423.516 5.133 0 40 HKAB Cc1cc(C)cc(-c2nnc(SCC(=O)c3ccc(Br)s3)o2)c1 7159650 URDMPPJGXMXZLU-UHFFFAOYSA-N 409.330 5.152 0 40 HKAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(N2CCCCC2)cc1 7504618 TZXJEDWFCKJIFY-UHFFFAOYSA-N 423.409 5.647 0 40 HKAB COc1ccc(OC)c(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c1 7971484 QVNXBTVMTBVNCV-UHFFFAOYSA-N 415.445 5.038 0 40 HKAB C=Cc1ccc(CN2C(=O)N(c3cccc(Cl)c3)S(=O)(=O)c3ccccc32)cc1 8608446 OTDZLTAOWPFDPY-UHFFFAOYSA-N 424.909 5.319 0 40 HKAB aggregator Nc1c(Cl)cc(Br)c(-c2nc3ccccc3s2)c1Br 8729519 HMPRHSYGBQEXLS-UHFFFAOYSA-N 418.541 5.724 0 40 HKAB Cc1csc(N(C(=O)Cc2sc(C)nc2-c2ccc(F)cc2)c2ccccc2)n1 9244394 NYWJYQNKBSHCSM-UHFFFAOYSA-N 423.538 5.930 0 40 HKAB CN(C)c1ccc([C@@H](CNC(=O)CCc2ccsc2)c2c[nH]c3ccccc23)cc1 9335838 ZSCZVAPJEYEIAV-JOCHJYFZSA-N 417.578 5.176 0 40 HKAB Cc1cccc(OCCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667360 BRHOBSVPDTVKCP-IBGZPJMESA-N 417.509 5.288 0 40 HKAB Cc1cccc(C)c1N1C[C@@H](c2nc3ccccc3n2CCCc2ccccc2)CC1=O 12062045 KIZKFHYCNFNTNI-QHCPKHFHSA-N 423.560 5.806 0 40 HKAB Cc1ccc(C2=NN3[C@H](c4ccc(C)cc4)Oc4c(Cl)cc(Cl)cc4[C@H]3C2)cc1 12193935 NDPODGWHPXUKKL-VWNXMTODSA-N 423.343 6.853 0 40 HKAB CCCOc1ccccc1NC(=O)c1cccc(OCc2cn3cccc(C)c3n2)c1 12556571 DEYRIIRAXLEUMC-UHFFFAOYSA-N 415.493 5.263 0 40 HKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(C(C)C)cc3)CC2=O)c1 13063055 SGVFULCLTGVTDA-QHCPKHFHSA-N 423.560 6.037 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 13298381 YMMFNKXZULYSOQ-YTZPQNMLSA-N 420.678 5.554 0 40 HKAB biogenic,in-vitro CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 13631116 SZQWHEJOYCRDBN-HSZRJFAPSA-N 416.521 5.362 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1ccccc1F 13669947 BBITXGYSNLKSJH-UHFFFAOYSA-N 418.386 5.415 0 40 HKAB COc1cc(OC)c(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)cc1Cl 13731315 GTADRCSZFOUTST-UHFFFAOYSA-N 406.866 5.181 0 40 HKAB Cc1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)cccc1-c1nc2ccccc2s1 13946054 CLGHRBAJMDIFEO-UHFFFAOYSA-N 416.590 6.817 0 40 HKAB CC(C)(C)C(=O)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19081325 KDTMBLDUPPTNQI-FQEVSTJZSA-N 419.504 5.131 0 40 HKAB O=C(CSCc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1 20238129 MWOVYMOYMJUOSL-UHFFFAOYSA-N 400.396 5.276 0 40 HKAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 20460986 DLMNZMSXHNPWIA-ZFGQVMFLSA-N 421.606 6.282 0 40 HKAB CCCOc1ccc(OCC(=O)Nc2ccccc2NC(=O)Nc2ccccc2)cc1 24762003 QBJHIWZLUFFLKH-UHFFFAOYSA-N 419.481 5.137 0 40 HKAB COc1ccccc1CN(Cc1nc(-c2ccc(F)cc2)no1)Cc1cccs1 24816616 FTQCVYQNJUOLSV-UHFFFAOYSA-N 409.486 5.148 0 40 HKAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2nc3ccc(Cl)cc3s2)cc1 24832130 NAXACQXKBJGWKN-UHFFFAOYSA-N 417.918 5.478 0 40 HKAB O=C(CCc1nc2ccccc2o1)Nc1ccc(Cc2nc3ccccc3s2)cc1 25050225 FEAJVULWKQVMPG-UHFFFAOYSA-N 413.502 5.600 0 40 HKAB CC(=O)c1cccc(NC(=O)c2ccn(COc3ccc(-c4ccccc4)cc3)n2)c1 27971998 AUEGMVOUFWHMQL-UHFFFAOYSA-N 411.461 5.042 0 40 HKAB Cc1cc2nc(NC(=O)COc3c(C)cc(Br)cc3C)sc2cc1C 28284413 BUDVEHMODNHSQZ-UHFFFAOYSA-N 419.344 5.310 0 40 HKAB O=C(CSc1noc(-c2ccccc2)n1)Nc1cc(C(F)(F)F)ccc1Cl 28527147 MTBIGWHZKUDADP-UHFFFAOYSA-N 413.808 5.140 0 40 HKAB CC(=O)c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)cc1 33293938 ZGBNECJNGUGIHB-MTJSOVHGSA-N 421.449 5.525 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccco1 35310735 SQOUZFIVLCUXOJ-SEJPIABJSA-N 401.510 5.264 0 40 HKAB CC(C)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 38833700 LWYAGDZJIOJRPB-SFHVURJKSA-N 405.369 5.968 0 40 HKAB O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2ccc(Cl)cc2)CC1 39751141 UXQFDTPIJHEIBY-UHFFFAOYSA-N 411.760 5.175 0 40 HKAB Cc1ccc(-c2cnc(SCC(C)C)n2-c2ccc(OC(F)(F)F)cc2)cc1 44087986 IUXYQSPGOPXOBS-UHFFFAOYSA-N 406.473 6.494 0 40 HKAB Cc1cc(C)c(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c(C)c1 44786862 YXERBVCSJLWLJQ-GOSISDBHSA-N 405.369 5.769 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 44899824 HBHGPMBJBTWJLN-SFHVURJKSA-N 404.963 5.378 0 40 HKAB CC[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(OC)cc1 44936482 YIZBLLGBTGKNPO-SANMLTNESA-N 414.549 5.135 0 40 HKAB CCOc1cccc(C(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)c1 72228683 OTZADNITPFLIEC-UHFFFAOYSA-N 420.538 5.367 0 40 HKAB CC(=O)N(c1ccc(C)cc1)c1nc(CN2C[C@@H](C)O[C@H](c3ccccc3)C2)cs1 84150456 CMIZEQACXMKMKC-JPYJTQIMSA-N 421.566 5.098 0 40 HKAB CC(/C=C\[C@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O 90668722 SETVRSKZJJWOPA-HHISYXFWSA-N 404.934 5.559 0 40 HKAB CCCOc1ccc(Cl)cc1NC(=O)Nc1ccccc1[C@H](O)C(F)(F)F 95942631 VFWYQGBKSPVZQO-INIZCTEOSA-N 402.800 5.369 0 40 HKAB O=C(CN1CCCCC1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 96399898 IFAGTGSSDRZZGP-XZIKAVMCSA-N 413.565 5.296 0 40 HKAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1c1cccc(Br)c1 101104684 XCNIQAQECATVHC-UHFFFAOYSA-N 412.312 5.339 0 40 HKAB CCc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 107949395 ZGHGLKYZLFLORX-UHFFFAOYSA-N 409.363 5.897 0 40 HKAB C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118917508 XYNPYHXGMWJBLV-UXFLACCZSA-N 415.662 5.367 0 40 HKAB in-man O=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCC(Cc2ccccc2)CC1 216438461 IGTVKIQGFUDLKH-UHFFFAOYSA-N 410.561 5.344 0 40 HKAB CC[C@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(OC)c(C)c1 223095304 CXFSELBBKTWDAL-QFIPXVFZSA-N 414.977 5.137 0 40 HKAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 223866515 VCEFGKIJRXRLIQ-DHIUTWEWSA-N 418.566 5.271 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1cccc(Cl)c1 224495409 IYLSNUUZHFVZMQ-UHFFFAOYSA-N 413.876 5.387 0 40 HKAB O=C(O)[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1cccc2ccccc12 225134537 KEHQXQPKDJPKTK-DEOSSOPVSA-N 418.876 6.360 0 40 HKAB CCC1(CC)C[C@H](NC(=O)c2ccc(CN3CCCCC3)cc2)c2ccccc2O1 225145374 BUXVLOURLHHNNC-QHCPKHFHSA-N 406.570 5.485 0 40 HKAB CCOC(=O)c1ccc(NC(=O)CCc2ccc(Cl)cc2Cl)cc1Cl 225375003 DMMXBIRSCRXUTL-UHFFFAOYSA-N 400.689 5.395 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCCN4CCCC4)cc3)CCCCC2)c1 225540116 HDDBYIOUHUETAF-UHFFFAOYSA-N 420.597 5.700 0 40 HKAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225699828 PMABKURIJQUDRM-HYBUGGRVSA-N 404.595 5.111 0 40 HKAB COc1cc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1C(C)C 225884315 BXCLJPQAIZGTKY-UHFFFAOYSA-N 421.868 5.600 0 40 HKAB CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)CC=C[C@]34C)[C@@H]12 257348517 GOAKSZGUPAKILO-WFYNVKTDSA-N 410.730 8.910 0 40 HKAB CCOc1ccccc1/C=C1\S[C](Nc2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O 408800203 NRXTYYAVCSNIPX-HUYCDOSRSA-N 421.586 6.139 0 40 HKAB CCOc1cc(CNc2ccccc2CC)cc(Cl)c1OCc1ccccc1F 409116343 PESUDQRRHPTDJT-UHFFFAOYSA-N 413.920 6.631 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@H](c2ccccc2)N3)c(C)c1 409137200 UOXDFZFLDYZYBJ-BUFOOBCNSA-N 422.572 6.852 0 40 HKAB Cc1ccccc1C1=N/C(=C\c2cccc(OCc3cccc4ccccc34)c2)C(=O)O1 409177099 AMSRIHINGJUSMF-ONUIUJJFSA-N 419.480 6.072 0 40 HKAB CCCCCN1C(=O)S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O 409208917 DFLKXVUMTDAJMM-JCMHNJIXSA-N 404.535 5.916 0 40 HKAB CCOc1cc(CNc2ccccc2C)ccc1OCC(=O)Nc1cccc(C)c1 409259050 ZCGWWOSHGZPAGV-UHFFFAOYSA-N 404.510 5.332 0 40 HKAB COc1ccc(-c2coc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)cc1OC 1448067 VOIDXPSMRDVFEZ-UHFFFAOYSA-N 422.864 5.710 0 40 HKAB biogenic CC[C@H](C)c1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 1459923 ITLLNJZEFJIHRH-DZGCQCFKSA-N 405.325 5.499 0 40 HKAB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccc(C)cc1 1764909 BCGIVHQKHBLDSG-UHFFFAOYSA-N 413.589 6.419 0 40 HKAB Clc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cccs2)cc1 1805503 VNNUARKIGCWLOO-XBXARRHUSA-N 409.967 6.455 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1 1916194 SSWVSQUAJXLIJM-UHFFFAOYSA-N 420.484 5.438 0 40 HKAB Cc1cc(C)c(N2COc3c(cc4c(-c5ccccc5)cc(=O)oc4c3C)C2)c(C)c1 2115906 LLRANUYGWAISAO-UHFFFAOYSA-N 411.501 6.050 0 40 HKAB biogenic CCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[C@H](C(C)(C)C)C3 2183445 VYMGAKDUMAIJDS-HNNXBMFYSA-N 418.672 6.616 0 40 HKAB Cc1ccccc1C1(c2ccccc2C)C[C@H]1C(=O)Nc1ccc(Br)cc1 2186995 GDNYCKAJNLRMGW-QFIPXVFZSA-N 420.350 6.011 0 40 HKAB COc1ccc(NC(=O)[C@@H]2CC2(c2ccc(C)cc2)c2ccc(C)cc2)c(OC)c1 2197588 NAWZCOQLHOZGGQ-QFIPXVFZSA-N 401.506 5.265 0 40 HKAB CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cc2sc3ccccc3c2s1 2380462 XQPAZPUBDIEQGQ-UHFFFAOYSA-N 424.547 5.977 0 40 HKAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 2435646 TWAAJSSNYAHHAN-UHFFFAOYSA-N 424.978 6.489 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@@H]3CCCc4ccccc43)cc12 2441694 FJDRSXVNOSJDFP-HXUWFJFHSA-N 421.953 5.856 0 40 HKAB CCc1cc2c(SCC(=O)Nc3ccccc3-c3ccccc3)ncnc2s1 2619811 DQQWSDAWTQYSHL-UHFFFAOYSA-N 405.548 5.652 0 40 HKAB COC(=O)c1cccc(Oc2ncnc3scc(-c4ccc(C(C)C)cc4)c23)c1 2680189 XECXLWBUQTVIPD-UHFFFAOYSA-N 404.491 6.061 0 40 HKAB CCc1c(C)sc(NC(=O)CCCOc2ccc(Cl)cc2C)c1C(=O)OC 2795750 KDFZCLMGZSBBJY-UHFFFAOYSA-N 409.935 5.165 0 40 HKAB Nc1c(C(=O)c2cccs2)sc2nc3c(c(-c4ccccc4Cl)c12)CCC3 2924981 VPYDTWXILNFSHQ-UHFFFAOYSA-N 410.951 5.980 0 40 HKAB CCc1cccc(C)c1NC(=O)c1oc2ccccc2c1CSC1CCCCC1 3309542 SWPBSVJDETVGID-UHFFFAOYSA-N 407.579 7.122 0 40 HKAB CC[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1)C(=O)OC 3658698 NMCSEQFWCHTRAZ-LJQANCHMSA-N 421.497 5.270 0 40 HKAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Oc3ccccc3)cc1)CCC2 3885009 PZSKOXZXWJYXCB-HTXNQAPBSA-N 407.469 6.602 0 40 HKAB Cn1c(SCc2ccccc2)c(C(=O)Nc2ccc(Cl)cc2)c2ccccc21 4052743 JVMKGOPAHUUFBP-UHFFFAOYSA-N 406.938 6.376 0 40 HKAB Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CNC1CCCC1 4189353 FGNADUILVGVYEB-VWLOTQADSA-N 424.588 6.177 0 40 HKAB CCCCCN(CCCCC)C[C@@](C)(O)CNc1cc(OC)cc2cccnc12 4522439 RKPZRAIHEWIFKA-DEOSSOPVSA-N 401.595 5.089 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)cc1 4592068 XZKCSIKTSDRJHB-UHFFFAOYSA-N 408.885 5.633 0 40 HKAB FC(F)(F)c1ccc(-c2nnc3sc(/C=C/c4ccc(Cl)cc4)nn23)cc1 4667773 HZDBCQPYLJXEHJ-XCVCLJGOSA-N 406.820 5.695 0 40 HKAB Cn1c(-c2cccc(Br)c2)cnc1NCc1ccc(C(F)(F)F)cc1 4678318 QZUBIRBLXHTCRE-UHFFFAOYSA-N 410.237 5.481 0 40 HKAB CCOc1cc(-c2ccc(O)cc2)c/c(=N\c2cc(C)cc(C)c2)c2c(C)oc(C)c12 5906003 XWOGAHNDSHUBIM-ZZIIXHQDSA-N 413.517 6.670 0 40 HKAB biogenic COc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 6372863 GFZGQYRMDWXFPW-UHFFFAOYSA-N 414.383 5.219 0 40 HKAB O=C1O/C(=C\c2ccc(Cl)c(Cl)c2)C(c2cccs2)=C1c1cccs1 6876219 DCWLQNPWQZAPJE-UVTDQMKNSA-N 405.327 6.625 0 40 HKAB O=C1CS[C@H](c2ccc(F)cc2)c2c(-c3ccccc3)nn(-c3ccccc3)c2N1 6927773 PFPACCVVJRBMRB-HSZRJFAPSA-N 415.493 5.453 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 7161015 WGGJLJKZHYZPJK-UHFFFAOYSA-N 415.946 5.727 0 40 HKAB C=Cc1ccc(CN2C(=O)N(c3ccc(C)cc3C)S(=O)(=O)c3ccccc32)cc1 8024127 FDYFQHGGFZIGFH-UHFFFAOYSA-N 418.518 5.282 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)cc1 8033541 XMXABRHHBUAIHH-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2cccc(Cl)c2)c(C)c1 8476445 UEVLQACMSZVRIU-UHFFFAOYSA-N 408.933 5.267 0 40 HKAB Cc1ccc(C(=O)CSc2nc(C)cc(C)c2C(=O)Nc2cccc(C)c2)cc1 8614150 QPTDRCNUAVQBAL-UHFFFAOYSA-N 404.535 5.543 0 40 HKAB CCn1c(SCc2ccc(F)cc2)nnc1-c1cc2cc3ccccc3nc2s1 8873532 YVZHUMGIKRDVIO-UHFFFAOYSA-N 420.538 6.159 0 40 HKAB CCOc1ccccc1-c1nc(C(=O)NCc2cccnc2)cc2c1[nH]c1ccccc12 8918610 JYTKROSKPQCWTB-UHFFFAOYSA-N 422.488 5.107 0 40 HKAB biogenic COc1ccccc1-c1c(-c2ccc(OCc3cc(C)ccc3C)cc2O)n[nH]c1C 8996570 FCRATSARDFYBNO-UHFFFAOYSA-N 414.505 5.962 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)[nH]2)cc1 9199415 OIKLOJCEFVPGMZ-UHFFFAOYSA-N 416.550 5.653 0 40 HKAB CC1=C(C)[C@@H](N(c2ccccc2)c2ccccc2)N([C@H](C)CCc2ccccc2)C1=O 9680381 KIXDWDRSFRNNDY-JIPXPUAJSA-N 410.561 6.351 0 40 HKAB CC(C)(C)NC(=S)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 9944286 LIEMTPFKWSSYTJ-UHFFFAOYSA-N 424.620 6.172 0 40 HKAB O=C(NCc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2ccc(Cl)s2)s1 12936832 NXNWLZNBTILMLH-GHXNOFRVSA-N 414.314 5.059 0 40 HKAB Cc1cccc(OCc2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)c1C 14126119 CLKZWWRNRROVAJ-UHFFFAOYSA-N 408.354 5.610 0 40 HKAB COc1ccc(C(C)=O)cc1COC(=O)COc1cc(C)c(Cl)cc1C(C)C 15279994 LBHJMKJTMFZTRD-UHFFFAOYSA-N 404.890 5.105 0 40 HKAB c1ccc2cc(-c3noc([C@@H]4Cc5[nH]cnc5CN4CC4CCCCC4)n3)ccc2c1 15675652 OQIPLNHERCHEHB-QHCPKHFHSA-N 413.525 5.293 0 40 HKAB biogenic,in-vitro Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 17088136 VAHQSFZVWAACAH-UHFFFAOYSA-N 408.910 5.943 0 40 HKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 20105219 YVNNZDRGTMVFJW-HXUWFJFHSA-N 416.304 6.582 0 40 HKAB C[C@H](Sc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20238503 JRAQADPTWRWWJI-NRFANRHFSA-N 416.590 5.101 0 40 HKAB COc1ccc(CCNC(=O)c2ccc(CSCc3ccccc3)cc2)cc1OC 20238935 NNKQJRSQBMUQKC-UHFFFAOYSA-N 421.562 5.110 0 40 HKAB CC1CCN(c2ccccc2NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)CC1 21595825 OMBSYDJKIHXSCC-UHFFFAOYSA-N 408.586 6.017 0 40 HKAB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N1CCc2ccccc21 23235604 DZVWXMHNGRFVFS-UHFFFAOYSA-N 403.429 5.037 0 40 HKAB COc1ccc(CN(C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccn2)cc1 27989699 OYWYZVAVUGWCBM-SFHVURJKSA-N 424.928 5.361 0 40 HKAB CCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 27992152 VVVFOTZHKPPRRN-OAQYLSRUSA-N 418.924 5.782 0 40 HKAB CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]([C@]3(C)CCC(=O)O3)CC[C@]21C 28639129 NOLGXQBEFHYZHI-QPBHWVAKSA-N 414.630 6.336 0 40 HKAB biogenic,in-vitro Cc1nc(-c2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2)co1 29433346 AYAWITBHMVAARY-UHFFFAOYSA-N 416.808 5.123 0 40 HKAB Fc1ccccc1-c1nnc(Sc2ncnc3sccc23)n1Cc1ccccc1 32857505 YJXUGCFMLCLHRK-UHFFFAOYSA-N 419.510 5.288 0 40 HKAB O=C(COc1ccccc1-c1noc(-c2cccc(F)c2)n1)Nc1cccc(Cl)c1 33325034 NBEKWXMXRRVILD-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB CCOc1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38834285 XCXDDUQZBKDZQD-INIZCTEOSA-N 407.341 5.243 0 40 HKAB CCOC(=O)CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)(F)F)cc1 44087908 IIBJMDUNQQGJMU-UHFFFAOYSA-N 422.428 5.093 0 40 HKAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1F 67294576 GWKIQKYBHVAJBK-VYIQYICTSA-N 406.844 6.018 0 40 HKAB CCCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215706 TYEALSICYUYGKM-JOCHJYFZSA-N 415.622 6.483 0 40 HKAB COc1ccccc1CC(=O)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 72297877 DDIBCNXYHBXYBD-UHFFFAOYSA-N 401.388 5.034 0 40 HKAB ClC(Cl)(Cl)c1nc(/C=C\c2ccco2)nc(C(Cl)(Cl)Cl)n1 77054724 PNDRGJCVJPHPOZ-ARJAWSKDSA-N 407.899 5.288 0 40 HKAB COc1cc(CN2CCC(C(=O)c3ccccc3)CC2)ccc1OCc1cccs1 95453936 JYCSGMKWNWEISJ-UHFFFAOYSA-N 421.562 5.431 0 40 HKAB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cccs4)C3=C(O)C2)cc1 100426336 RKNZMLRFXHXJEG-UPCLLVRISA-N 402.519 6.386 0 40 HKAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccccc2-c2ccccc2)cc1 101007132 BCIMCGGUVWTANB-QXVOXHNYSA-N 407.469 5.457 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)C[C@@H]3C[C@@H]4CC[C@@H]3C4)ccc21 103100301 LGDNQEAWHIVSPJ-KURKYZTESA-N 404.510 5.122 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C([C@H](C)OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 118934211 MCTOSEWKAVRIKS-PHTMVKPRSA-N 400.559 5.369 0 40 HKAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 222938895 KUEVLYOXFKMNRD-RUZDIDTESA-N 422.613 5.117 0 40 HKAB CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 223123554 IFNYCQWQHPRAOO-ILBGXUMGSA-N 408.561 5.184 0 40 HKAB Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c(C)c1 224028093 QJMJECJIUXLOID-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccccc1C(C)(C)C 224167787 ACLCONFHUTUPRO-UHFFFAOYSA-N 403.522 6.132 0 40 HKAB COc1ccccc1CNC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 224341544 DLYLYKDCCCJFOY-UHFFFAOYSA-N 407.535 5.235 0 40 HKAB CCc1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)cc1 224347184 KZMZBCCFFDVQTB-UHFFFAOYSA-N 411.954 6.456 0 40 HKAB CCOc1ccc(C(=O)NCc2ccco2)cc1COc1ccc(C(C)(C)C)cc1 224519322 VCZCWHQEVYPVDY-UHFFFAOYSA-N 407.510 5.485 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(CN2CCCCC2)cc1 224539436 KJBXMWRFICHULU-UHFFFAOYSA-N 405.369 5.228 0 40 HKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)ccc1F 224895422 NXCNZGFHFXPDKT-RTWAWAEBSA-N 408.546 5.263 0 40 HKAB COc1ccc(-c2nnsc2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 225762598 PIMJDGLWOZMHFW-UHFFFAOYSA-N 403.463 5.258 0 40 HKAB CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 226339936 ILHCKCIYDYQWLJ-UHFFFAOYSA-N 404.087 5.512 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)cc1 408559969 BJRJCMLSDHPPQY-UHFFFAOYSA-N 404.457 6.379 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1 408674857 DJEKZIZXDWOGCF-UHFFFAOYSA-N 422.843 5.229 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(F)cc2)cc1 408696819 CGBLSOQLSUXELA-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1cccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)c1 408832716 IKJWKZOAOIVXIC-UHFFFAOYSA-N 404.922 6.691 0 40 HKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2F)cc1C 409112404 GBLSULMISDXWTC-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB CCOc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 409118465 QJYCMALPCGXHLX-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB Cc1ccc(COc2ccc3ccccc3c2CNc2cc(Cl)ccc2C)cc1 409122169 YERSBODWZCUCIX-UHFFFAOYSA-N 401.937 7.301 0 40 HKAB Cc1ccc(COc2ccc(CNc3ccccc3Cl)cc2Br)cc1 409181970 HEAPFWMYDXWVED-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1C[C@@H](C(C)C)O[C@@H]2C(C)C 524735022 ZLLLZZNKVKHPTF-WMLDXEAASA-N 421.584 5.533 0 40 HKAB COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12 877986 YZFVVTHJPHEVQX-UHFFFAOYSA-N 419.481 5.175 0 40 HKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=O)Nc3ccc(F)cc3)C3CCCCC3)cc12 1371614 SWCUNZQFWMJGNW-UHFFFAOYSA-N 421.516 5.651 0 40 HKAB CCCCOC(=O)c1ccc(N2COc3ccc4c(CCC)cc(=O)oc4c3C2)cc1 2116628 XCZLTVGZVMKSHJ-UHFFFAOYSA-N 421.493 5.059 0 40 HKAB biogenic C[C@H](SCc1cccc2ccccc12)c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3 2655147 CUWQWWNIFYSQNF-CABCVRRESA-N 420.603 6.257 0 40 HKAB Clc1ccc(CSc2nc(Nc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 2948936 YXRCQPAWTDRVAC-UHFFFAOYSA-N 421.909 6.048 0 40 HKAB C[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(C)Cc1ccc(OC(F)F)cc1 3423696 NWJZLNRDVCXAIW-NSHDSACASA-N 403.256 5.054 0 40 HKAB COc1ccc(C)cc1N(C(=O)COc1ccccc1)c1nc2ccccc2s1 3547586 OMECIASTIPAZTO-UHFFFAOYSA-N 404.491 5.357 0 40 HKAB aggregator CC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccccc2)cc1 3668047 NRESQUUULYTNPZ-UHFFFAOYSA-N 413.439 7.048 0 40 HKAB O=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)NCCc1ccccc1 4060702 AKRNTISNCWCAQK-UHFFFAOYSA-N 418.537 5.280 0 40 HKAB O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)C1c2ccccc2Oc2ccccc21 4138265 SIAILBWFDSVFAN-UHFFFAOYSA-N 408.501 5.601 0 40 HKAB Clc1ccc(/C=C/c2nc3ccccc3n2CCCCOc2ccccc2)cc1 4148878 XMUOLMCMDGITSL-SAPNQHFASA-N 402.925 6.719 0 40 HKAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)c(C)c1 4195751 KWPMSADUNLVMQA-UHFFFAOYSA-N 402.519 5.906 0 40 HKAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1Cl 4409592 UZEWGRHVXGUQIP-FAYOUJPWSA-N 413.904 5.583 0 40 HKAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C3C4CC5CC(C4)CC3C5)[C@@H]2C1=O 4664400 JKIGKXZBOSMTRZ-JWEXMAKHSA-N 419.952 5.323 0 40 HKAB Cc1ccc(N2C(=O)c3ccc(-c4nc5cc(Cl)ccc5o4)cc3C2=O)c(C)c1 4671971 FVOPEWMTZIGSAT-UHFFFAOYSA-N 402.837 5.566 0 40 HKAB COc1ccc(/C=C/C(=O)n2c(SCc3ccc(F)cc3)nc3ccccc32)cc1 4811345 GHLOUTOGWIWXAD-XNTDXEJSSA-N 418.493 5.830 0 40 HKAB CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1 4832497 FPDUYFHKLDWOBS-UHFFFAOYSA-N 420.896 6.579 0 40 HKAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Cl)c(Cl)c1)c1ccccc1 5323979 UESZDRRNIOVMGZ-UHFFFAOYSA-N 410.256 6.019 0 40 HKAB C[C@@H]1CCCN(C(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)C1 5528020 OPNZENHKMVKVTH-OAHLLOKOSA-N 409.327 5.536 0 40 HKAB CC(C)(C)C1CCC(C(=O)Nc2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1 6287207 YCTQYCRAEKECHT-UHFFFAOYSA-N 420.619 5.042 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1 6440219 AVOUCGRFAZZRHF-QGZVFWFLSA-N 414.505 6.659 0 40 HKAB O=C(NCc1ccco1)/C(=C/c1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1 6566887 UVYKWDIHLKBFSR-SFQUDFHCSA-N 411.383 5.032 0 40 HKAB Clc1ccccc1COc1ccc(Br)cc1CNCc1ccco1 7523649 AEMSBJFDEUCCQW-UHFFFAOYSA-N 406.707 5.564 0 40 HKAB CCN(CC)C(=O)c1ccc(NC(=O)[C@H](C)c2ccc3cc(OC)ccc3c2)cc1 7784928 KIBZGCIBOWDIFL-QGZVFWFLSA-N 404.510 5.073 0 40 HKAB FC(F)(F)c1nc(N2CCC[C@@H]2c2nc3ccccc3s2)c2ccccc2n1 8074387 NVGWFLDNQYLHNV-OAHLLOKOSA-N 400.429 5.600 0 40 HKAB COc1cccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1O 9097053 CXOFDRIDBFMLQS-UHFFFAOYSA-N 416.527 6.209 0 40 HKAB COc1ccc(CCNC(=S)c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1 9188128 MJINRLMREWINQH-UHFFFAOYSA-N 421.562 5.099 0 40 HKAB COc1ccc(-c2c(N)oc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)cc1 9306760 XSBFWWVYBPUMAY-UHFFFAOYSA-N 407.853 5.283 0 40 HKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(Cl)c(Cl)c1)c1ccco1 9328071 JXQLLOHIGGSTAS-UHFFFAOYSA-N 416.285 6.081 0 40 HKAB COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN23)cc1 12192553 SMEZCCDUTACTOW-VWNXMTODSA-N 404.897 5.899 0 40 HKAB CC[C@H]1CCCCN1C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 12494882 FQCKFBWOIYBMAE-FCHUYYIVSA-N 422.396 5.725 0 40 HKAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cccc(Cl)c1Cl)O[C@H](C)C2 12565055 XMRNUFCSVBMJSP-NEPJUHHUSA-N 409.313 5.155 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)CN(C)Cc4ccc(F)cc4)cc3)sc2c1 12692052 WQIBGWBEPBTXEF-UHFFFAOYSA-N 419.525 5.481 0 40 HKAB CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1cc(Cl)c(Cl)cc1Cl 12860337 WWXARJSFXLLRPG-UHFFFAOYSA-N 423.683 6.073 0 40 HKAB O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1cc(Cl)ccc1Cl 13634989 RLHOWAGOGLJNHY-UHFFFAOYSA-N 417.679 6.707 0 40 HKAB Cc1ccc(NC(=O)CCN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc23)cc1 13955646 FARURMWWZURRTM-VWLOTQADSA-N 409.489 5.050 0 40 HKAB Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)oc2c1[C@H](O)CC(C)(C)C2 16740235 XMEZVPFHJBSSAJ-OAQYLSRUSA-N 403.522 5.436 0 40 HKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(SCc4ccccc4)ncnc32)c1 16757668 DLTFVVAKTCCJFS-UHFFFAOYSA-N 407.542 6.688 0 40 HKAB CCc1c(-c2ccc(OC)cc2)nn(-c2ccccc2Cl)c1-c1ccc(OC)cc1 17091710 VXVLBTDXLKJYSP-UHFFFAOYSA-N 418.924 6.439 0 40 HKAB COc1ccc(OC)c2c1[C@H](c1cccc(NC(=O)C3CC3)c1)O[C@@H]1CCCC[C@H]21 17724527 CUDMNXSXYJGJGV-GLDPYIMESA-N 407.510 5.198 0 40 HKAB CC(=O)c1cccc(N/C=C2/C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)c1 18020845 DNZHNUMMLOURJA-XSFVSMFZSA-N 416.864 5.183 0 40 HKAB Cc1ccccc1O[C@H](C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 19934212 KMBHMLDFQIIDTD-LJQANCHMSA-N 415.533 5.930 0 40 HKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1Nc1ccc(Cl)cc1 22072893 VBYWTSWWQCZNLY-UHFFFAOYSA-N 407.779 5.630 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)/C=C/c3ccc(F)cc3)c2)cc1 22515872 QCVNMCAAMRUKRZ-CXUHLZMHSA-N 401.481 6.006 0 40 HKAB Clc1ccc(Oc2ccc(I)c(Br)c2)cc1 26508298 JCQKXJOFCRXJNU-UHFFFAOYSA-N 409.448 5.499 0 40 HKAB COc1ccc(-c2cc(=O)oc3cc(C)cc(OCC(=O)c4ccc(F)cc4)c23)cc1 26509784 OTJQCHIDOWEMFT-UHFFFAOYSA-N 418.420 5.178 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220396 HRYVSDWFCQECLV-QHCPKHFHSA-N 418.968 5.458 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H](C)Oc1cccc(C)c1C 30757243 ZYYKSEGRCWTIHQ-FQEVSTJZSA-N 405.563 6.310 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccccc2Br)o1 31671132 RQGABMKHKLHAMW-UHFFFAOYSA-N 412.243 5.042 0 40 HKAB S=C(Nc1cccc2ccccc12)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 33934788 JYFNVKBMCUQIFK-ZNDGRNAPSA-N 417.622 5.432 0 40 HKAB O=C(Nc1cccc(F)c1)c1sc(=S)n2c1nc(O)c1cc(Cl)ccc12 35201762 CKJHJBYRDBOECA-UHFFFAOYSA-N 405.863 5.029 0 40 HKAB Cc1cc(C(=O)Nc2nc3c(C)cccc3s2)c2c(-c3ccc(F)cc3)noc2n1 36613589 JIGRZRYIDAIXGT-UHFFFAOYSA-N 418.453 5.508 0 40 HKAB CCn1cc([C@@H](C)Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c(C)n1 36614137 MENMJVHVGANZKI-LLVKDONJSA-N 409.843 5.514 0 40 HKAB COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c1 36705418 YGBMBUQBDQPQIZ-UHFFFAOYSA-N 403.438 5.030 0 40 HKAB Cc1ccc(SCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 38755061 SHSXSZDSLOUYEC-UHFFFAOYSA-N 402.563 5.080 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccc(Br)cc2)[nH]n1 44837459 ABBCTYHQCJBAOJ-UHFFFAOYSA-N 410.193 5.110 0 40 HKAB CCn1c(Sc2nc(C)nc3sc4c(c23)CCCC4)nnc1-c1ccoc1C 48250798 XEMPAKADATYCGX-UHFFFAOYSA-N 411.556 5.210 0 40 HKAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2nc3ccccc3s2)cc1 49649908 FLVGRLMJZOAAQD-HSZRJFAPSA-N 401.535 5.417 0 40 HKAB Clc1cccc(-n2nnnc2[C@@H](c2ccc(Cl)cc2Cl)N2CCCCC2)c1 55190504 JYRMPEYOZLYMJZ-GOSISDBHSA-N 422.747 5.198 0 40 HKAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 59461560 CFQSPDRHNANJEI-KBPBESRZSA-N 420.340 6.041 0 40 HKAB C[C@@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1nc(C(C)(C)C)no1 69351033 PHKJGBDEHLYKEW-LLVKDONJSA-N 407.301 6.034 0 40 HKAB Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3cccc(Cl)c3)C2)cc1 89632086 JYDMCYWBZQFGFY-JOCHJYFZSA-N 410.926 5.188 0 40 HKAB CCCCCCn1c(=O)c(C(=O)Nc2nc3ccccc3s2)c(O)c2ccccc21 100498570 FIJOEZCTWBGVED-UHFFFAOYSA-N 421.522 5.149 0 40 HKAB CC(=O)O[C@@H]1C[C@H]2C[C@@H]1[C@@H]1[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 103910990 DOSRQPWOVOSXQH-VOMWNRTJSA-N 424.966 5.036 0 40 HKAB c1ccc([C@H]2c3ccccc3-c3ccccc3C2(c2ccccc2)c2ccccc2)cc1 104378411 RIXMWRZWBKDTTF-HKBQPEDESA-N 408.544 7.834 0 40 HKAB CCOc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 107043010 VMDYTCPWVKYRAT-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)o2)cc1 222630396 FJZZEVPHVHNTLL-ITEAAPOESA-N 405.523 5.330 0 40 HKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(Cl)cc4)o3)N21 222711803 DAKZMLRQPQXEDW-ZLGUVYLKSA-N 409.942 5.974 0 40 HKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc(Cl)c(C)c1)c1ccc(OC)c(OC)c1 223033268 NFLJCVPXODPYRA-RBUKOAKNSA-N 405.922 5.091 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1C(C)C 223385920 CTLVPCMLFSQOBA-SFHVURJKSA-N 405.542 5.171 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 224198884 LEVSKZPKBZLCGZ-DHIUTWEWSA-N 402.567 5.484 0 40 HKAB COc1cccc(OCc2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2OC)c1 224253173 VAHNWYAAEYEZAT-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1C 224285090 ODOHBCMRRSEEHT-JWQCQUIFSA-N 424.573 5.666 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccc(C)c(C)c1 224292704 XSWYFEJHKYARFA-UHFFFAOYSA-N 403.478 5.346 0 40 HKAB CCN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224626447 MJVNVUURDJBCNM-UHFFFAOYSA-N 402.343 5.142 0 40 HKAB Cc1cc(Br)cc(C)c1NC(=S)NCc1ccc(Cl)cc1Cl 225192960 KNWGEGUCXOHYDC-UHFFFAOYSA-N 418.187 5.859 0 40 HKAB CC[C@@H](CNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccccc1 225631065 JSXCNVBSMWXQCO-CYBMUJFWSA-N 400.897 5.914 0 40 HKAB COc1cc(C)c(C(=O)NCCSCc2c(F)cccc2Cl)cc1C(C)C 225658841 HFMYTQGXHYLRNM-UHFFFAOYSA-N 409.954 5.583 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c2ccccc12 225759448 FCBLEOQKMQRNLV-UHFFFAOYSA-N 415.577 7.168 0 40 HKAB CCCCOc1ccc(NC(=O)[C@]2(OCCC)CCC[C@@H](C)C2)cc1C(=O)OCC 225854149 ZONPCBFICWSRQG-KOSHJBKYSA-N 419.562 5.356 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c2cccnc12 225874026 SUQBZRXCUCZKPP-UHFFFAOYSA-N 418.537 5.409 0 40 HKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 408573899 DYSUVQJIMFOJCC-INIZCTEOSA-N 416.974 5.476 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 408687233 TYIMDVMCEBETJX-GOSISDBHSA-N 420.468 5.731 0 40 HKAB Cc1ccccc1NCc1ccc(OCc2cccc(F)c2)c(Br)c1 409117839 OQEZRFXMTQOJLM-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)c(C)c1 409118022 PTWPUXXYPOLETR-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB O=C(CSc1ccc2ccccc2c1)Nc1ccc(Cl)c(Br)c1 409197062 VCPGATNOKRYJEM-UHFFFAOYSA-N 406.732 5.987 0 40 HKAB CSc1ccccc1NC(=O)N1CCC[C@]2(CCCN(Cc3cccc(C)n3)C2)C1 2056224377 HUZCWYUOLSMTSI-DEOSSOPVSA-N 424.614 5.022 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)NCc4ccccc4Cl)sc3n2)c1 661296 QLNLRMBRQVPXLU-UHFFFAOYSA-N 423.925 5.138 0 40 HKAB Clc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(N4CCOCC4)cc3)c2c1 958676 GTEOBJOXSQRQPE-SLEBQGDGSA-N 416.908 5.822 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)nc1 997299 VFPBAMVABASHCA-UHFFFAOYSA-N 418.294 5.620 0 40 HKAB COc1cc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3)[nH]2)cc(OC)c1O 1456436 BINZFQJBVATPPO-UHFFFAOYSA-N 406.869 5.787 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccc(Cl)cc3)n(C)c3ccccc3c2=O)cc1 2208590 FFCNCOQKGOZDAE-UHFFFAOYSA-N 418.880 5.120 0 40 HKAB O=C(Cc1ccccc1)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 2331430 IQODWDHDBOALAF-UHFFFAOYSA-N 412.876 6.483 0 40 HKAB C[C@H]1C[C@H](C)CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)C1 2714428 MRFTYVLARGHQCE-ROUUACIJSA-N 416.956 6.223 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1 2738931 FAUNNHOOUWLXHE-UHFFFAOYSA-N 417.306 6.225 0 40 HKAB O=C(NCc1cccc(Cl)c1)c1ccc(COc2cc(Cl)ccc2Cl)cc1 2753964 NDVJLQNOGITSHK-UHFFFAOYSA-N 420.723 6.156 0 40 HKAB COc1ccc(C(C)=O)cc1CSc1nc(NC2CCCCC2)c2ccccc2n1 2948706 BIEFTAVMOPETGQ-UHFFFAOYSA-N 421.566 5.878 0 40 HKAB O=C(CCN1c2ccccc2Sc2ccccc21)N[C@H]1CCCc2ccccc21 3220194 VDIKSQDWUDMHGQ-FQEVSTJZSA-N 400.547 5.873 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CSc3ncnc4ccccc34)ccc21 3253925 YFLIODFFNJAXOT-UHFFFAOYSA-N 412.518 5.488 0 40 HKAB Cc1cccc(-n2c(S[C@H]3CCCCC3=O)nnc2-c2c[nH]c3ccccc23)c1 3292093 HGAPILCMYBVGDT-NRFANRHFSA-N 402.523 5.328 0 40 HKAB O=C(COC(=O)c1cccc(C(F)(F)F)c1)Nc1ccc(Oc2ccccc2)cc1 3297357 BZSPGAGYJALCFL-UHFFFAOYSA-N 415.367 5.293 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cc2c(s1)CC[C@@H](C)C2 3381121 KFJHDCHTZLTGEG-MRXNPFEDSA-N 413.583 5.915 0 40 HKAB Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3ccc(-c4ccccc4)cc3)s2)c1C 4070402 XYBPROZYTWMDMM-UHFFFAOYSA-N 413.546 6.358 0 40 HKAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccc(OC)cc3)c2c1 4610411 RLEIXULELNJISK-UHFFFAOYSA-N 416.908 6.379 0 40 HKAB Cc1cccc(NC(=O)N(Cc2cc3cc(C)cc(C)c3nc2Cl)C2CCCC2)c1 4861290 LVAIYFSKYINQNS-UHFFFAOYSA-N 421.972 6.790 0 40 HKAB COc1ccccc1C(=O)N(CC(C)C)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880872 BUCMHTFMNXNQAV-UHFFFAOYSA-N 423.582 5.814 0 40 HKAB Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CCNC(=S)Nc2cccc(Cl)c2)C1(C)C 5274544 KFGFLWQLCLUQBL-RXVVDRJESA-N 412.002 6.246 0 40 HKAB COc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc1 5675874 IKWOWMYTHPBAAX-UHFFFAOYSA-N 414.461 5.180 0 40 HKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 6044390 NMBZCJILVGRFCL-UHFFFAOYSA-N 408.929 5.895 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4OC)c3)nc2c1 6449763 PRFMIRJZWCSQOU-INIZCTEOSA-N 400.478 6.269 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2C)cc1 6816439 KJQJZWSJYLIEHI-LADGPHEKSA-N 404.897 5.899 0 40 HKAB Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3C/C=C/c3ccccc3)CC2=O)c1 7278085 CIEFLHQSSQOJIJ-OXHGWOFKSA-N 421.544 5.887 0 40 HKAB Cc1cc(C)c(S(=O)(=O)NCCSCc2ccc(Cl)cc2Cl)c(C)c1 8333582 PSGDWVWTXQWCNO-UHFFFAOYSA-N 418.411 5.130 0 40 HKAB Cc1ccc2cc(CN(C(=O)c3cccc(Cl)c3)c3ccccc3)c(=O)[nH]c2c1 8612037 IMWDJLACHOZPCZ-UHFFFAOYSA-N 402.881 5.337 0 40 HKAB Clc1ccc2c(c1)/C(=C\c1ccnc3ccccc13)c1cc(Cl)cc(Cl)c1-2 8628666 AJRYLVHLRKBMCU-GIJQJNRQSA-N 408.715 7.764 0 40 HKAB Cc1ccc(-c2nc3ccc(Cl)cc3n2OCc2cccc(C(F)(F)F)c2)cc1 8733621 YAPGQPQMHQUAPW-UHFFFAOYSA-N 416.830 6.313 0 40 HKAB COc1ccc(-c2nc(C)c(-c3ccc(SCc4ccc(F)cc4)nn3)s2)cc1 8875754 UZZSWPNZYQBJPL-UHFFFAOYSA-N 423.538 6.016 0 40 HKAB CSc1ccc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)cc1 9578915 FRPYEGTWCIUQGW-KRWDZBQOSA-N 414.577 5.288 0 40 HKAB Cc1nc(-c2ccco2)nc2sc(C(=O)Nc3ccccc3OC(F)F)c(C)c12 12764866 PWUKKQBYLOJRPH-UHFFFAOYSA-N 415.421 5.422 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(COc2c(Cl)cccc2Cl)o1 12913786 OIFSOXOIVMNECY-UHFFFAOYSA-N 402.237 5.586 0 40 HKAB Cc1ccc(SCCNC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 12972713 QHJTZUQKAULAFC-UHFFFAOYSA-N 402.972 5.223 0 40 HKAB O=C(CCCOc1ccc(Br)cc1)Nc1nc(-c2ccccc2)cs1 13095185 AQUOCDAEBGJJEB-UHFFFAOYSA-N 417.328 5.370 0 40 HKAB Cc1ccc(Oc2ccccc2NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 14158098 WCRZNIVNKQNXDS-NRFANRHFSA-N 404.491 5.229 0 40 HKAB CCOc1ccc(Br)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 14654437 VCIPZPRWDWJMMD-UHFFFAOYSA-N 412.283 5.892 0 40 HKAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N[C@H]1CCOc2ccccc21 14780418 XFQDIWWLKIDVLH-KRWDZBQOSA-N 417.292 5.221 0 40 HKAB Cc1cc(NC(=O)[C@@H](Sc2ccccc2Br)c2ccccc2)no1 16549068 RMYKJNATDZQZET-KRWDZBQOSA-N 403.301 5.218 0 40 HKAB COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)/C=C\c1ccccc1 16973803 ZYVMHMMQWDTMIA-NXVVXOECSA-N 412.445 5.346 0 40 HKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccc2c(Cl)cccc12 17087833 FKUOXJOTBCIPIV-UHFFFAOYSA-N 408.284 7.191 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(C)c(C)c3)c2Cl)cc1C 17092641 YWRYSENNNVTHFI-UHFFFAOYSA-N 421.371 7.747 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(CSc3nnc(Cc4ccccc4)o3)o2)cc1 19929036 ORITXYAHTAZFDP-UHFFFAOYSA-N 406.511 5.300 0 40 HKAB COc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1OC 20050533 DISRFOYZJNKWJR-QGZVFWFLSA-N 407.535 5.487 0 40 HKAB Cc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)ccc1-c1ccc(CO)o1 20140237 FPXYLBSMGHVORW-UHFFFAOYSA-N 407.853 5.913 0 40 HKAB CC(C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 20610520 YPZKFGBYFGQQPA-UHFFFAOYSA-N 414.509 5.583 0 40 HKAB Cc1cc(C)c(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c(Cl)c1 20610974 WHPBFYBEDWBFDX-UHFFFAOYSA-N 420.900 5.017 0 40 HKAB Clc1ccc(COc2cccc(CNC34CC5CC(CC(C5)C3)C4)c2)c(Cl)c1 22073818 BWZUTRBHFVULMS-UHFFFAOYSA-N 416.392 6.631 0 40 HKAB Cn1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(=O)c2cc(F)ccc21 22236469 UUKIKJAPIUOEIK-UHFFFAOYSA-N 422.843 5.376 0 40 HKAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1c(F)cccc1Cl 22907887 PKQGLTCNFSABPS-LJQANCHMSA-N 414.933 5.070 0 40 HKAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)COc1ccc(C2SCCS2)cc1 24454693 MDULZMGHMSUUHY-AWEZNQCLSA-N 407.988 5.417 0 40 HKAB O=C(Cc1csc(-c2ccco2)n1)Nc1c(-c2ccc(F)cc2)nc2sccn12 25118085 MGAAFRWWECLQNL-UHFFFAOYSA-N 424.482 5.100 0 40 HKAB O=C1CS[C@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N1CCc1ccccc1 27061885 IANQCLYWKSPRIZ-OAQYLSRUSA-N 418.345 6.070 0 40 HKAB CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccc(C)cc1 28250823 QUDPLHPCHTZZKU-UHFFFAOYSA-N 416.344 5.011 0 40 HKAB CC1(C)C[C@@H](N(CC[C@H](c2ccco2)C(C)(C)C)C(=O)c2cccs2)CCO1 32102103 AUESBSUVHLLSKA-ZWKOTPCHSA-N 403.588 5.961 0 40 HKAB CC1=C[C@@]2(Nc3cc(C)cc(Br)c3O2)c2c(C)nn(-c3ccccc3)c2O1 40545475 OWWSHYWKTAJFGY-NRFANRHFSA-N 424.298 5.205 0 40 HKAB O=C(NCc1sccc1Br)Nc1cccc(C2SCCS2)c1 58612817 NOZFHVUDDQROHE-UHFFFAOYSA-N 415.403 5.311 0 40 HKAB CN(c1ccccc1)c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72214229 KSEMJBPGAJIGRV-HSZRJFAPSA-N 401.510 5.713 0 40 HKAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72214566 REULMBCRQJVKBK-OAQYLSRUSA-N 423.557 5.456 0 40 HKAB C[C@H](Sc1nnc(C(C)(C)C)o1)C(=O)N1c2ccccc2Sc2ccccc21 83927602 CLGGXXPJFIBYNQ-ZDUSSCGKSA-N 411.552 5.677 0 40 HKAB COC(=O)c1sc2nc(Nc3ccccc3)/c(=N/c3ccccc3)sc2c1C 103711099 MBINCLXVPMCZDM-ATJXCDBQSA-N 407.520 5.429 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2cccc(C)c2)cc1 107953957 UMPJQUFYTRREOA-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB O=C(CSc1c[nH]c2ccccc12)N1CCS[C@H](c2ccccc2Cl)CC1 207000156 BFVWWHVKMOHOKT-IBGZPJMESA-N 416.999 5.620 0 40 HKAB O=C(COCc1ccccc1)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 208005769 VFOWEOCIFMYKGI-UHFFFAOYSA-N 416.506 5.104 0 40 HKAB CCc1nnc(S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)O)o1 213410904 SWJAVUGEERIVAX-ZSOIEALJSA-N 411.266 5.417 0 40 HKAB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1OC 214883374 XECAOOJWOJJXQH-RQZCQDPDSA-N 424.305 5.247 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c(Cl)c1 216278305 AJIIFWNCDGCSSQ-AWEZNQCLSA-N 403.906 5.220 0 40 HKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 223085411 HKJWWSQOQOWLKA-JOCHJYFZSA-N 422.613 5.385 0 40 HKAB CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccccc1Cl)c1ccccc1 223338849 LSDNRUTZNGZFIS-XMMPIXPASA-N 420.940 5.136 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 223985615 FGTHQVBLQWJAJI-GOSISDBHSA-N 420.509 5.047 0 40 HKAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1cccc(C)c1 224117045 TUHZFNDTEOCZNG-HXUWFJFHSA-N 403.522 5.334 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224475656 UQBVMQKABIMEKB-HXUWFJFHSA-N 405.991 5.703 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1ccccc1Cl 224479299 XMCFDDMEQDFGMP-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224960518 GEJPLHHZNPCBRU-UHFFFAOYSA-N 423.299 6.876 0 40 HKAB CCOC(=O)c1cc(NC(=S)NCCSCc2ccccc2C)ccc1Cl 225362272 MAIOQLXZTNFKOO-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB CCOc1ccc(CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225622135 HSSYWWWPSISKCR-UHFFFAOYSA-N 416.896 5.677 0 40 HKAB Cc1cc(C)c(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)c(C)c1 225805659 GXFAGTMGSPNNNZ-UHFFFAOYSA-N 403.404 5.252 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)NC2(c3ccc(C)cc3)CCCC2)c1 225861791 NBCBNOQICQNTPS-UHFFFAOYSA-N 402.947 5.191 0 40 HKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(F)cc2Cl)C1 257307649 SZQWGIFMMUVDLK-VWPQPMDRSA-N 423.887 5.122 0 40 HKAB Cc1cccc(Cl)c1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 408699635 YHROJIAUJALQJE-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)c1 408726733 TWGSFGJWLYAFNT-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1ccccc1OC(F)(F)F 575619277 JITULDUUHJOPCN-UHFFFAOYSA-N 401.388 5.037 0 40 HKAB CC(C)[C@@H]1C[C@H](c2ccc(Cl)cc2)CO[C@H]1c1ccc(OCCN(C)C)cc1 585292444 MJKYUSOVPCLFTA-OYDLWJJNSA-N 401.978 5.798 0 40 HKAB Cc1cccnc1Nc1nc(C2CCN(C(=O)/C=C/c3ccccc3)CC2)cs1 585293092 WQMXDSUAKVQNOB-MDZDMXLPSA-N 404.539 5.010 0 40 HKAB CC[C@@]1(c2ccccc2)NC(=O)N(c2ccc(Oc3cccc(Cl)c3)cc2)C1=O 1615612211 DIDXUVBSVISFGF-QHCPKHFHSA-N 406.869 5.494 0 40 HKAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)Nc1ccccc1C(F)(F)F 1775978906 VLPPDAACQWIYOG-KRWDZBQOSA-N 406.429 5.289 0 40 HKAB Cc1ccc(-c2nc3c(C)cccc3o2)cc1NC(=O)c1cccc(Br)c1 819775 LMBQUYBBHSYXIH-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCCCC1 901007 ICPZPLACSHDROF-AWEZNQCLSA-N 409.477 5.046 0 40 HKAB CCCCOc1cccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c1 2302193 QUSAHMCINDXKHQ-UHFFFAOYSA-N 401.466 5.629 0 40 HKAB Cc1ccccc1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 2343851 UKYRWTJOKZXHAC-IRLDBZIGSA-N 418.338 6.254 0 40 HKAB O=C(COC(=O)c1ccccc1Cc1ccccc1)c1ccc(Br)cc1 3229418 NUTRPEPQMCQVGM-UHFFFAOYSA-N 409.279 5.080 0 40 HKAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(C(C)(C)C)cc2)cc1 4174211 WTOSTCGRIHHPRP-RUZDIDTESA-N 412.533 5.984 0 40 HKAB Cc1cccc(CSc2cn(CCNC(=O)c3cccs3)c3ccccc23)c1 4251549 LMZKOZLXTIMQNW-UHFFFAOYSA-N 406.576 5.734 0 40 HKAB O=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)c1cccc(Br)c1 4294098 KYPKRFZSVXILMD-UHFFFAOYSA-N 407.292 5.959 0 40 HKAB Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3ccc(Br)cn23)cc1 4794006 CECVBEWKVJPWGC-UHFFFAOYSA-N 417.310 6.297 0 40 HKAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2 4863409 RAXPAPIEAPNHSA-UHFFFAOYSA-N 413.558 5.081 0 40 HKAB CCOc1ccccc1NC(=O)c1cnc2c(c(C)nn2-c2ccccc2)c1Cl 4941129 LPUBLYXEDRYBLZ-UHFFFAOYSA-N 406.873 5.033 0 40 HKAB CC[C@](C)(CC(=O)NCC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 5390568 HFPBLUHWOVFWSL-FKIGELJASA-N 421.625 6.240 0 40 HKAB O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@H](c2ccc(Cl)cc2)C1 5774317 FWWMDKNWLRPKNQ-QFIPXVFZSA-N 400.865 5.802 0 40 HKAB CCc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2ccncc2)cc1 6026846 AFQLUTOLSXCTFZ-UHFFFAOYSA-N 418.497 5.006 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1Cl 6033838 RMGYLYWVLOVYOR-UHFFFAOYSA-N 418.880 6.208 0 40 HKAB CCOc1ccc(-n2c(SCc3cc(C)ccc3C)nc3ccccc3c2=O)cc1 6035239 XTCZWAONYLCXPD-UHFFFAOYSA-N 416.546 5.694 0 40 HKAB COC(=O)c1ccc(CSc2cc(-c3ccccc3)c3ccc(OC)cc3n2)cc1 6320153 UIINGWCGBWLJKF-UHFFFAOYSA-N 415.514 5.989 0 40 HKAB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nc(-c2cccs2)cs1 6334943 HTSYJRLDLKWKQQ-UHFFFAOYSA-N 413.351 5.976 0 40 HKAB Cc1ccccc1N(C(=O)[C@H]1COc2ccccc2O1)c1nc2ccccc2s1 6579064 DFQIMFRBAJDJGA-HXUWFJFHSA-N 402.475 5.109 0 40 HKAB CSC1=NC2(CCN(C(=O)OC(C)(C)C)CC2)N=C1c1ccc(C(C)(C)C)cc1 6817172 NOZNKBXGMJTGNP-UHFFFAOYSA-N 415.603 5.276 0 40 HKAB S=c1[nH]c2ccccc2n1-c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 6820921 BDJSLXRVZLDZDQ-UHFFFAOYSA-N 402.910 6.194 0 40 HKAB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)C(C)(C)C)cc1 6956309 RQCIRAMFEGUQSF-UHFFFAOYSA-N 408.325 5.749 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNc3ccc(C(C)(C)C)cc3)cc12 7277779 QJADWWRGSLMYBQ-UHFFFAOYSA-N 420.944 5.585 0 40 HKAB C=CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1 7603192 SVNCMWDATKUZIQ-ATVHPVEESA-N 414.870 5.173 0 40 HKAB O=C(CSc1cc(Cl)ccc1Cl)OCc1csc(-c2ccccc2)n1 7784109 QUNNTMXNRIQLFS-UHFFFAOYSA-N 410.347 5.952 0 40 HKAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)cc1Cl 7928634 CNHIHQYXVQYIKL-FQEVSTJZSA-N 419.908 5.198 0 40 HKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1c(F)cccc1Cl 8050311 GKLLUHMHSTWOMK-SFHVURJKSA-N 416.345 5.340 0 40 HKAB CSc1nc(N2CCC(C)CC2)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 8657504 QOFUDJFZVOOTFR-UHFFFAOYSA-N 412.628 5.810 0 40 HKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)c3ccc(Cl)cc3)n2C)cc1 9328119 MWYPNGWRJGOONV-CQSZACIVSA-N 415.946 5.146 0 40 HKAB CSCC[C@H](NC(=O)Cc1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 9502674 XXUJKOAGWSZVHH-INIZCTEOSA-N 424.513 5.468 0 40 HKAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)C2CCCCC2)c1 9518413 SHCKBHAMNATMAJ-UHFFFAOYSA-N 422.481 5.221 0 40 HKAB Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCc2ccccc2F)nn1 9578126 RQEMRRPESXNDQW-UHFFFAOYSA-N 411.502 6.146 0 40 HKAB Cn1c(-c2ccc(Cl)c(Cl)c2)cn2cc(-c3ccc(-c4ccccc4)cc3)nc12 9805387 CBVLWJWKTFHJLG-UHFFFAOYSA-N 418.327 6.981 0 40 HKAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccccc1Br 10120001 PPSXRAMINHLJCL-UHFFFAOYSA-N 407.267 5.433 0 40 HKAB Cc1cc(NC(=O)c2c(F)cccc2Cl)n(-c2nc(-c3ccccc3)cs2)n1 12441718 WBBVRALUGKAEED-UHFFFAOYSA-N 412.877 5.349 0 40 HKAB Cc1ccc2sc(N(Cc3ccncc3)C(=O)Cc3ccc(F)cc3)nc2c1C 13037058 VUROUIVBFKPBSM-UHFFFAOYSA-N 405.498 5.223 0 40 HKAB O=C1C[C@@H](c2cccs2)c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N1 13518340 NVUBZKXTFUWRQS-KRWDZBQOSA-N 405.910 5.728 0 40 HKAB O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@@H]1CCC[C@H]21)c1ccc(Cl)cc1 13614975 XEGWPHFMPASJSA-ALFLXDJESA-N 406.957 6.193 0 40 HKAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(SC)cc2)n2c(nc3ccccc32)N1 13634870 FJIBBXBAMBXBMJ-OAQYLSRUSA-N 407.539 5.390 0 40 HKAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)c3cc4ccccc4o3)cc12 14360613 KZKZAHWMUQNTAS-UHFFFAOYSA-N 416.458 5.181 0 40 HKAB CC(C)n1c(CN2CCC(O)(c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21 19454739 MRWDAWIHLVNEFA-UHFFFAOYSA-N 417.475 5.120 0 40 HKAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN2C(=O)c2nccc3ccccc23)n1 19690896 LVKXXWUZXOUCPZ-SANMLTNESA-N 421.544 5.815 0 40 HKAB O=C(OC1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(Cl)cc1 20365199 DSPCCMMCEHJILM-UHFFFAOYSA-N 419.230 5.233 0 40 HKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C 20461416 QSPXEOPYGHDMHL-WXLHYIFQSA-N 403.566 6.177 0 40 HKAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C(C)C)cc4)cc3n2)cc1Cl 20610705 YUSUGYFPFVWYJB-UHFFFAOYSA-N 420.900 5.458 0 40 HKAB CN(C)[C@@H](CNCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1cccs1 22786052 NDHRTFWFCAMKAR-QHCPKHFHSA-N 416.594 5.052 0 40 HKAB Cc1cccc(C)c1OCC(=O)NC[C@H](c1ccccc1Cl)N1CCCCCC1 27664524 IGNVMYKXEJOSQN-JOCHJYFZSA-N 414.977 5.069 0 40 HKAB COc1ccc(CN(C)C(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1OC 30857532 GARBTABVNLURHJ-LTGZKZEYSA-N 421.924 5.556 0 40 HKAB CCCCOc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c2cccnc12 32593284 PNSHDLIGWBLWSC-UKTHLTGXSA-N 406.482 5.083 0 40 HKAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc(C2CCCCC2)cc1 32674617 CLBZYCRHCLPFCF-UHFFFAOYSA-N 403.526 5.835 0 40 HKAB CC(C)(C)[C@@H]1C/C(=C/c2ccc3c(c2)OCO3)c2nc3ccccc3c(C(=O)O)c2C1 33888664 AUMBAGOVHVKCGZ-LPPOOGIUSA-N 415.489 5.811 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CN2CCCCCC2)cc1 38834433 HSFGBYJMKYNYAC-UHFFFAOYSA-N 400.522 6.107 0 40 HKAB Cn1c(CNC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)nc2ccccc21 49590158 UIGXNZFFBDAIOG-UHFFFAOYSA-N 400.265 5.070 0 40 HKAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(COCC(F)(F)F)cc1 58924523 GFMGYHIJZLHQKW-LEWJYISDSA-N 405.460 5.564 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)c(F)c2)c(C)c1 67297210 DUOPWCURNWIALS-PNHLSOANSA-N 404.416 5.813 0 40 HKAB CCC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCCO4)=NN12 67321576 VAKLUAPIYLOGJV-VHCIKCAMSA-N 404.510 5.298 0 40 HKAB CC1(C)CC[C@@]2(C)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC=CC(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 71775107 IZPGPXVZTJYAGW-FQAQHBPXSA-N 408.714 8.974 0 40 HKAB O=S(=O)(c1ccc(Cl)c(Cl)c1)c1cnc2ccc(Cl)cc2c1Cl 72329799 YPVBDKQONWYFOQ-UHFFFAOYSA-N 407.105 5.681 0 40 HKAB CC1=C(C)C[C@@H](C(=O)N2CCC(c3ccc(Nc4nc(C)cc(C)n4)cn3)CC2)CC1 72374365 AGKLTMMHWFPNQK-NRFANRHFSA-N 419.573 5.075 0 40 HKAB c1ccc(CN2CCC[C@H]2[C@@H]2CCCN2Cc2cnc(-c3ccccc3)s2)cc1 89834932 ZAJOAPUCLDCJCJ-ZEQRLZLVSA-N 403.595 5.439 0 40 HKAB CC1(C)C[C@@H](N(Cc2ccccc2)C(=O)c2cnc(-c3cccnc3)s2)C(C)(C)O1 95991726 HJNOKOHLICAFSY-HXUWFJFHSA-N 421.566 5.194 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(-c2sc3ncccc3c2N)cc1 96193961 IDFNYYGEGGDYPN-UHFFFAOYSA-N 401.535 5.923 0 40 HKAB Cc1noc2c1[C@H](c1ccc(Cl)c(F)c1)C1=C(O)C[C@@H](c3ccc(O)cc3)CC1=N2 102735476 AKJBCOQULQVICZ-QKKBWIMNSA-N 424.859 6.089 0 40 HKAB O=C(NCC12CC3CC(CC(C3)C1)C2)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102923055 DPPGGWOMWXDDBO-XMTKNFAQSA-N 406.408 5.053 0 40 HKAB O=C(CCCCCCCCCCC(=O)OCc1ccccc1)OCc1ccccc1 196252402 MDASLGYTNRRNGF-UHFFFAOYSA-N 410.554 6.374 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)N1CCS[C@@H](c2ccccc2)CC1 208040188 XQEDHZUCTPABKY-RUZDIDTESA-N 401.575 5.915 0 40 HKAB O=C(COC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc(-c2ccccc2)cc1 215695151 XVLKCEREIHTJBI-UHFFFAOYSA-N 407.469 5.819 0 40 HKAB Cc1ccc(C)c(OCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 224017008 QDKFGYREMYJADA-UHFFFAOYSA-N 409.913 5.345 0 40 HKAB O=C(Nc1ccccc1)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224940822 BPLWVJAVUCNDAE-UHFFFAOYSA-N 419.278 6.023 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)c1 224959646 MTADJHDLQCFQCE-UHFFFAOYSA-N 402.881 6.531 0 40 HKAB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 225632050 ISRPHJXSXIJBJE-UHFFFAOYSA-N 407.966 6.763 0 40 HKAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(Br)cc1)CC(C)(C)O2 225672838 QVOJVNBAWNECTI-MRXNPFEDSA-N 405.361 5.346 0 40 HKAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccc2nc(Cl)sc2c1 225980983 VVRZKGFHGNLXAF-UHFFFAOYSA-N 403.290 5.793 0 40 HKAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 408547954 PAKDABUNTPPJEN-UHFFFAOYSA-N 418.562 5.679 0 40 HKAB CCCc1s/c(=N\C(=O)c2cccc(OC)c2)n(CC)c1-c1ccc(Cl)cc1 408560659 DVVKHDJXQRGJHQ-GYHWCHFESA-N 414.958 5.592 0 40 HKAB COc1ccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 409110622 XDQHPDKEELSIIW-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB Cc1ccc(C)c(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1 409112424 CPUMLZKSRXHWCM-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB Cc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(C)n1Cc1ccccc1 409131673 YPXWPGYQSALRFE-HYARGMPZSA-N 408.567 5.770 0 40 HKAB CCCCCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C1=O 409214810 UPXUIYZFLIZJGC-ZHZULCJRSA-N 415.942 6.146 0 40 HKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 409380931 KDEVUFZSUZJDFO-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCCc1nc(COc2cccc(Cl)c2)c(C(=O)O)cc1-c1cccc(Cl)c1 585265051 DMIIHNXWKCIYQC-UHFFFAOYSA-N 416.304 6.285 0 40 HKAB Cc1coc(-c2cc(C(=O)OCC(=O)c3ccccc3)c3cccc(Cl)c3n2)c1 678368 AEOYPBZRCNHXBD-UHFFFAOYSA-N 405.837 5.496 0 40 HKAB CCCc1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccc(OC)c(OC)c1 877627 IUXYXDWZFUGWQI-UHFFFAOYSA-N 400.475 5.171 0 40 HKAB CCn1c(S[C@@H](C)C(=O)Nc2cccc3ccccc23)nnc1C1CCCCC1 906673 DGSLAFLVNBCZBE-INIZCTEOSA-N 408.571 5.618 0 40 HKAB Cc1cc(C)c(C)c(Oc2coc3cc(OC(=O)c4ccc(F)cc4)ccc3c2=O)c1 957231 TXSBMUZDUKVGAD-UHFFFAOYSA-N 418.420 5.869 0 40 HKAB Cc1cc2cc(CN(C(=O)Nc3ccccc3)C3CCCCC3)c(=O)[nH]c2cc1C 1371140 GANCEVGPYOHKAR-UHFFFAOYSA-N 403.526 5.512 0 40 HKAB COc1ccccc1-c1cc(C(F)(F)F)n(-c2nc(-c3cccc(O)c3)cs2)n1 1413640 JYNYXIMUIJDWRJ-UHFFFAOYSA-N 417.412 5.396 0 40 HKAB CCc1ccc(C2=Nc3ccccc3N3C(=O)c4c(ccc(OC)c4OC)[C@@H]3C2)cc1 1458799 ZEGSSFRCYVEIHQ-QFIPXVFZSA-N 412.489 5.492 0 40 HKAB biogenic COc1ccc(C2=C(c3ccc(OC)cc3)c3c(OC)cc(OC)cc3OC2)cc1 1593137 COIHZMKRBHUILH-UHFFFAOYSA-N 404.462 5.073 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)CSc1ncnc2sc3c(c12)CC[C@H](C)C3 1803362 UCKAKKDFKKMMLZ-LBPRGKRZSA-N 407.564 5.581 0 40 HKAB C[C@H]1CC(C)(C)Nc2ccc(OC(=O)N3c4ccccc4Sc4ccccc43)cc21 1822597 PGRJQTVGLQRHMB-INIZCTEOSA-N 416.546 7.186 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Br)c2)N3)C1 2063297 BZYYKBSMMKFUII-PXAZEXFGSA-N 419.388 5.516 0 40 HKAB Cc1cc(C)cc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c1 2092906 KNFKXEIMCGWVJY-UHFFFAOYSA-N 403.478 5.653 0 40 HKAB biogenic Cc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 2194351 VBJCAQPVDRHUSV-UNMCSNQZSA-N 418.338 6.254 0 40 HKAB O=C(CCCCCCN1C(=O)c2ccccc2C1=O)Nc1ccc2ccccc2c1 2293611 FXDFUGPTXVDECC-UHFFFAOYSA-N 400.478 5.025 0 40 HKAB Cc1cccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)c1 2302647 AWGSJZXTTNRYCP-UHFFFAOYSA-N 415.294 5.707 0 40 HKAB O=C(O)c1ccc(CSc2nnc(SCc3cccc4ccccc34)s2)cc1 2633024 KIMQFGURAHXNDW-UHFFFAOYSA-N 424.572 5.974 0 40 HKAB Cc1oc2cc(OCc3c(Cl)cccc3Cl)ccc2c(=O)c1-c1ccccc1 2666275 KLMHGEOCHQABKW-UHFFFAOYSA-N 411.284 6.654 0 40 HKAB biogenic COc1ccc(CNC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc23)cc1 2768053 JQBFEFGQXIOSQQ-UHFFFAOYSA-N 424.544 6.039 0 40 HKAB O=C(Nc1ccc(CSc2cccc(C(F)(F)F)c2)cc1)c1c(F)cccc1F 3117039 DEXHDCBIICKOKJ-UHFFFAOYSA-N 423.406 6.528 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](Nc1ccccc1)c1ccccc1 3347720 QPCXHHBJEGJMIL-IBGZPJMESA-N 404.819 6.151 0 40 HKAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 3487034 FGUDOTMECHENNT-SANMLTNESA-N 422.484 6.259 0 40 HKAB CC(=O)c1sc(NC(=O)c2ccc(Oc3ccccc3)cc2)nc1-c1ccccc1 4070038 FKUVTHIDHNIGMS-UHFFFAOYSA-N 414.486 6.057 0 40 HKAB Cc1cc(Br)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 4526058 BPLBYESUUXKKCI-JTQLQIEISA-N 403.103 5.470 0 40 HKAB COc1ccc([C@H]2OC[C@@]3(COC(=O)Nc4ccccc4)[C@@H](C)[C@@H]2C(C)=C[C@H]3C)cc1 4603023 OGCHLIHOPGTPPY-MRFIEBOFSA-N 421.537 5.850 0 40 HKAB CCCCCCSc1nnc2c(n1)O[C@@H]([C@@H]1CC=C(C)C[C@@H]1C)Nc1ccccc1-2 4631145 ARMZDRAAYLROFH-SVMVAKDDSA-N 424.614 6.334 0 40 HKAB COc1ccc2[nH]cc(CCNC(=O)[C@@H](Sc3ccccc3)c3ccccc3)c2c1 4783609 VBEYIXUKNBWNOT-DEOSSOPVSA-N 416.546 5.369 0 40 HKAB Cc1ccc(Nc2nnc(SCC(=O)Nc3c(C)cc(C)cc3Cl)s2)cc1 4835620 PBMDLWVCEHEQEO-UHFFFAOYSA-N 418.975 5.591 0 40 HKAB Cc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Br)cc2)c1 4854380 KGQWFIQXRKGSHU-FQEVSTJZSA-N 410.315 5.196 0 40 HKAB COc1cc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(C)cc4)c3c2cc1OC 4970049 KPGXATZNWCGFPE-UHFFFAOYSA-N 409.489 5.875 0 40 HKAB Brc1cccc(CSc2nnc(Cc3cccs3)n2C2CC2)c1 5396747 QTGAVTOVSBEQAU-UHFFFAOYSA-N 406.374 5.320 0 40 HKAB COc1ccc(C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)cc1 5445022 MAEVEGQVHKULCU-DQIWBMCLSA-N 422.528 6.132 0 40 HKAB COc1cccc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(Cl)cc2)c1 6786943 NVIVHCDHHUEAFE-QHCPKHFHSA-N 415.880 5.489 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3N3CCCCC3)o2)cc1C 6814469 PTXXGQBFOSNMAF-UHFFFAOYSA-N 408.929 6.459 0 40 HKAB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C2=O)c1 6967215 IEZFLEWTPJWMSW-OEAKJJBVSA-N 413.521 5.112 0 40 HKAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N1c2ccccc2C[C@@H]1C 7160792 LDBZPIOGYLBXSC-STQMWFEESA-N 417.456 5.107 0 40 HKAB Nc1c(C(=O)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c12 8448427 MYPKJDSMGXSNCS-UHFFFAOYSA-N 424.500 6.583 0 40 HKAB c1ccc(Cn2c(SCc3csc(Nc4ccccc4)n3)nnc2C2CC2)cc1 9366055 UDJIYGKDYSJDST-UHFFFAOYSA-N 419.579 5.696 0 40 HKAB O=C(NC1CC1)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 9550038 IFTIZTSTFSJROT-UHFFFAOYSA-N 407.473 5.046 0 40 HKAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(-c2cccc(Cl)c2Cl)o1 10060058 NDDCTUAOJIFLHK-UHFFFAOYSA-N 423.299 6.492 0 40 HKAB CCCCOc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(Cl)cc32)cc1 12485136 NDDGNUYDUQOCRG-UHFFFAOYSA-N 421.903 6.092 0 40 HKAB COc1ccc(-c2nn(CN3CCC[C@H]3c3ccccc3)c(=S)n2C(C)C)cc1 12935791 XQMISDZFAMAGDC-NRFANRHFSA-N 408.571 5.465 0 40 HKAB COc1ccccc1CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1 13041657 LZQWXGYKBJXQEU-UHFFFAOYSA-N 411.505 5.095 0 40 HKAB Cc1cc(NC(=O)N2c3ccccc3Sc3ccccc32)ccc1Br 13717136 BAHMDJKHODQYBT-UHFFFAOYSA-N 411.324 6.592 0 40 HKAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1 14256568 ZDFNOELTPFMMEP-LLVKDONJSA-N 402.741 5.417 0 40 HKAB CCCOc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 14651691 BFOVUFZKPIHIGU-UHFFFAOYSA-N 403.103 5.797 0 40 HKAB CCCN1CN(c2nc3ccc(C)cc3s2)CN(c2nc3ccc(C)cc3s2)C1 17093698 NGJSGLDTXSFTHC-UHFFFAOYSA-N 423.611 5.434 0 40 HKAB CC(C)c1ccc(OCc2cc([C@H]3CCN(Cc4cnc(C(C)C)nc4)C3)n[nH]2)cc1 19704368 FCIHQNIXGYMWGB-NRFANRHFSA-N 419.573 5.015 0 40 HKAB C[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(F)cc1Cl)c1ccccn1 28293611 UNJJXWZOFSRZFR-CQSZACIVSA-N 402.828 5.014 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(CN2CCCCCC2)cc1 30941450 FHKWONQDIBJTAC-UHFFFAOYSA-N 400.522 6.107 0 40 HKAB COc1ccc([C@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccc2)cc1OC 32895173 QIAHDCQCPLEUDS-XMMPIXPASA-N 415.533 5.590 0 40 HKAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Oc3ccccc3)cc1)CCC2 33621274 PZSKOXZXWJYXCB-ZPHPHTNESA-N 407.469 6.602 0 40 HKAB COc1ccc(/C=C2/C[C@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)O)cc1 33627290 GAPWIIRKBBTHQT-FDWYHIAWSA-N 401.506 6.091 0 40 HKAB COc1ccc(CN2C(=O)/C(=C/c3ccc(SC)cc3)c3ccccc3C2=O)cc1 33714924 XJOGLLYWAXYGED-HZHRSRAPSA-N 415.514 5.140 0 40 HKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 44949254 RLBIEWBASXYYOJ-HXUWFJFHSA-N 408.542 5.034 0 40 HKAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2cc(-c3cccc(F)c3)no2)cc1 48303004 IMBOVRQIWZIHCB-UHFFFAOYSA-N 415.468 5.281 0 40 HKAB Clc1ccc(CNc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c(Cl)c1 70461605 GPZOOFJWAVKGCH-UHFFFAOYSA-N 403.696 7.067 0 40 HKAB Cc1nc(-c2ccccc2F)sc1[C@@H](C)NC(=O)Nc1cccc(-c2nnco2)c1 72305850 KXZFOQUDDUBZBQ-CYBMUJFWSA-N 423.473 5.190 0 40 HKAB O=c1c2[nH]cc(-c3ccccc3)c2nc(SCc2ccccc2)n1Cc1ccccc1 73686193 QZHZIWYOEGEXQK-UHFFFAOYSA-N 423.541 5.732 0 40 HKAB CCCn1cc(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)ccc1=O 95365046 KITFRVXRIZLQKG-UHFFFAOYSA-N 414.836 5.398 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 95482498 DUGDRQHQCUXSPG-OAQYLSRUSA-N 421.541 5.159 0 40 HKAB Cc1cccc(NC(=O)c2cc3c(c4ccccc4n3CC3CC3)n2-c2ncccn2)c1 96062689 SZPWCLOZUJBEMN-UHFFFAOYSA-N 421.504 5.346 0 40 HKAB CC1(C)CC2=NC(Nc3nc4ccccc4o3)=N[C@@H](c3ccc(Cl)cc3)C2=C(O)C1 102664311 YPSFCKIFPRXGGH-FQEVSTJZSA-N 420.900 6.077 0 40 HKAB CC1(C)[C@@H]2C[C@H]3C(=CC[C@H]4C(=O)[C@@H]5CC=C6[C@H](C[C@@H]7C[C@@H]6C7(C)C)[C@H]5C(=O)[C@H]43)[C@@H]1C2 104134158 MGEJXICFGVOYBM-OGOWHNGOSA-N 404.594 5.628 0 40 HKAB O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1cccc2ccccc12 106725503 TXFBTADRSUKYGW-HAHDFKILSA-N 411.482 6.336 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1Cl)[C@@H]2O 118913483 XRVKATFJHJNMOP-XTFVAHALSA-N 413.001 6.018 0 40 HKAB COC(=O)c1cn(C(=O)c2cccc(OCc3ccccc3Cl)c2)c2ccccc12 222629029 XKNURCCHFPERFY-UHFFFAOYSA-N 419.864 5.349 0 40 HKAB C[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc2c(c1)CCCC2 222981512 FKCGKDBRRWWYIR-SFHVURJKSA-N 419.952 6.289 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1C1CCCCC1 223120243 IRKSUCPJBUJCMD-DHIUTWEWSA-N 402.567 5.178 0 40 HKAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1 223938478 YXMSKHBXNMUAJR-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(CN2CCCCC2)c1 224644878 UPGUTYOCYIPEGM-QGZVFWFLSA-N 402.991 5.123 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1CSc1ccc(C)cc1 224661495 ZKUUFRLSWHUAOF-UHFFFAOYSA-N 405.563 6.501 0 40 HKAB COc1cccc(-c2cnc(CCC(=O)NC(c3ccccc3)c3ccccc3)o2)c1 224851097 IZYRBGQTXRLQTC-UHFFFAOYSA-N 412.489 5.189 0 40 HKAB Cc1cc(C)c(NC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)c(C)c1 224881125 IDJGVTVGZWAHMT-UHFFFAOYSA-N 413.315 5.601 0 40 HKAB COc1ccc(/C=C(/C(=O)Nc2ccc(N3CCCCC3)cc2)c2ccccc2)cc1 224940554 IWUYOZDHYUKQED-LHLOQNFPSA-N 412.533 5.865 0 40 HKAB CCCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OCC)c2)CCC[C@H](C)C1 225854334 KFYHCWGQWNARAT-UUOWRZLLSA-N 419.562 5.212 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ncccc34)CCOCC2)cc1 225874041 RBZNILGVPJZPOQ-UHFFFAOYSA-N 418.537 5.265 0 40 HKAB Cc1ccc(N(C)C(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1C 225910817 VSRYJWUFYJZNNF-KRWDZBQOSA-N 405.369 5.485 0 40 HKAB C[C@H]1C[C@H](C)N(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)[C@H](C)C1 247876379 AFUZUSPUDYOVQC-QKDCVEJESA-N 416.447 5.064 0 40 HKAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccc(Cl)cc1Cl 408563740 WYXZMQMPGANAJM-NMWGTECJSA-N 409.313 5.732 0 40 HKAB COc1ccc(CSCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 408564316 VPGKQAOSIZIXBE-UHFFFAOYSA-N 421.606 6.035 0 40 HKAB COc1ccc(Cl)cc1C1=N/C(=C\c2ccccc2OCc2ccccc2)C(=O)O1 409003411 FTKXTMAPOJMXOG-MOSHPQCFSA-N 419.864 5.272 0 40 HKAB Cc1ccc(Cl)cc1NCc1ccc(OCc2ccccc2)c(Br)c1 409113174 IIOWMLLDYLFIDT-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(C)C 409365042 XDQMYMWIZBNQDL-YBFXNURJSA-N 417.914 5.624 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)N[C@H](C)c4ccccc4)sc3n2)c1 661326 FQFNBATWBHZPQM-CQSZACIVSA-N 403.507 5.045 0 40 HKAB Cc1ccccc1C(=O)N1CCc2cc(-c3csc(Nc4ccccc4)n3)ccc21 1354475 BAXMJTGBJHDPIZ-UHFFFAOYSA-N 411.530 6.065 0 40 HKAB Cc1ccc2c(SCC(=O)N3CCCCCC3)nc(-c3ccc(F)cc3)nc2c1 1367870 GHUYLAKDHNGYEB-UHFFFAOYSA-N 409.530 5.239 0 40 HKAB Cn1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)cc2)c1Oc1cccc(Cl)c1 1389402 PWDFYUJYNFUXOC-UHFFFAOYSA-N 413.758 5.276 0 40 HKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1cccc(C)c1 1944024 RHZUGLRWAAXHML-UHFFFAOYSA-N 413.470 5.057 0 40 HKAB CCc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3ccc(F)cc3)c3ccccc32)cc1 2059717 ITBRMXBMLQJRML-HHHXNRCGSA-N 401.525 6.523 0 40 HKAB CCC(=O)c1c(-c2ccc(F)cc2)c2c3n(c(-c4ccc(OC)cc4)cn13)CCCC2 2408231 IRBVUSLKTLQPAF-UHFFFAOYSA-N 416.496 6.152 0 40 HKAB O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)c1ccc(Cl)cc1 2424233 PQGHMXKQZKWOEZ-UHFFFAOYSA-N 411.240 5.986 0 40 HKAB biogenic Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)c3ccccc3n2)cc1C 2741986 JLZNCHHAGPDMCK-UHFFFAOYSA-N 400.909 6.733 0 40 HKAB Cc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccc(F)cc4)cs3)n2)cc1 3766624 MUPFISJQSOURDP-UHFFFAOYSA-N 403.404 6.129 0 40 HKAB CC(C)[C@@H](CC(=O)NCC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccco1 4046589 ABWOYWSDRKZXNC-XPWALMASSA-N 411.586 5.905 0 40 HKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 4109853 YSQQOAODVBWKPF-MRXNPFEDSA-N 420.475 6.125 0 40 HKAB CC(=O)c1cccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)c1 4279886 AWJWIJIQMOOMPG-UHFFFAOYSA-N 403.048 5.303 0 40 HKAB Cc1ccc(S[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 4690696 PTZNKDOKWYNCTL-AWEZNQCLSA-N 414.423 5.832 0 40 HKAB CCc1cccc(C)c1Nc1c(-c2ccc(O)c(OC)c2)nc2nc(C)cc(C)n12 4734232 SOZKTICRMGJEOW-UHFFFAOYSA-N 402.498 5.342 0 40 HKAB O=C(CN1CCC(C(=O)c2ccccc2)CC1)Nc1ccccc1Oc1ccccc1 4966666 LZDYAVVCXYAOEN-UHFFFAOYSA-N 414.505 5.012 0 40 HKAB Cc1ccc(NC(=S)N(Cc2cc3ccc(C)c(C)c3nc2Cl)C2CC2)cc1 4973511 VRKFUABOCVQCJN-UHFFFAOYSA-N 409.986 6.175 0 40 HKAB COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3F)cc2O)c1 5176256 AAANEFUJNGNYND-UHFFFAOYSA-N 406.413 5.301 0 40 HKAB O=C(CSC1=Nc2ccccc2[C@@H]2CC=NN12)Nc1cccc(Cl)c1Cl 5938904 ZSXRCVOXUYNGCP-HNNXBMFYSA-N 405.310 5.099 0 40 HKAB O=C(Cc1cccc2ccccc12)N(C[C@H]1CCCO1)c1nc2ccccc2s1 6647016 OPXOPAVDPBGXET-LJQANCHMSA-N 402.519 5.204 0 40 HKAB CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 6740921 VIELWYIXEODCTJ-CVKBLUADSA-N 405.626 6.748 0 40 HKAB COc1cccc(CN(C)c2ncnc3scc(-c4ccc(F)cc4)c23)c1OC 7735992 FGTOUQDBMCZYDT-UHFFFAOYSA-N 409.486 5.151 0 40 HKAB Clc1ccc(CSc2nnc(-c3ccccc3Br)o2)c(Cl)c1 9010500 ZWRSXHNFNPEQMB-UHFFFAOYSA-N 416.127 6.098 0 40 HKAB O=C(Nc1ccccc1)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1 9101726 PXZQNHSWBHHOFG-UHFFFAOYSA-N 419.431 5.041 0 40 HKAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1sc2ccccc2c1Cl 9404683 BVKFUSIESAMCFZ-UHFFFAOYSA-N 420.946 6.669 0 40 HKAB CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)n1 9573432 HJTHHPGRJYEQLQ-UHFFFAOYSA-N 403.530 5.244 0 40 HKAB O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 9762896 ZFWFBUPJDMYTAL-UHFFFAOYSA-N 419.695 6.151 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)c12 9933403 ZPFCFXUDCQTGSO-UHFFFAOYSA-N 422.237 6.722 0 40 HKAB COC(=O)[C@H](C)N1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(C)cc2)[nH]c2ccccc12 10058906 JXFSPDRTHWDYGF-GKVSMKOHSA-N 424.500 5.250 0 40 HKAB O=C(Nc1ccc2c(c1)OCO2)c1sc(-c2ccc(O)cc2)nc1-c1ccccc1 12786570 GGACAERFBYUPTJ-UHFFFAOYSA-N 416.458 5.164 0 40 HKAB Fc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1 13364532 AXEKVVVECALYKP-IBGZPJMESA-N 415.802 6.009 0 40 HKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)COc4ccccc4Cl)c3)nc2c1 13946104 SDCPUXXKJFRJJO-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB CCCCCCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1 14028178 WLEMLDOTHKSJLN-UHFFFAOYSA-N 423.294 5.503 0 40 HKAB CN(CC(=O)Nc1ccccc1Oc1ccccc1)Cc1ccccc1N1CCCC1 14071304 KWLUHYXJYFOPSH-UHFFFAOYSA-N 415.537 5.150 0 40 HKAB COC(=O)c1ccccc1NC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc12 15880505 IYZAZELLHMADKA-UHFFFAOYSA-N 415.445 5.359 0 40 HKAB biogenic COc1cc(OC)cc(C(=O)Sc2nc3ccccc3n2CCc2ccccc2)c1 16035558 GHPRCBAYQFNZPG-UHFFFAOYSA-N 418.518 5.229 0 40 HKAB Cc1ccc([C@H](NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c2ccccc2)cc1 20460668 BZSWKOYSHGDGER-OAQYLSRUSA-N 420.361 5.511 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(=O)c2cc(Cl)cc(Cl)c2o1 27793031 TYQLGHOQFTWSRX-UHFFFAOYSA-N 402.155 5.371 0 40 HKAB COc1ccc(Nc2ccccc2NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 32981905 PYEJNGIETNLKNZ-UHFFFAOYSA-N 419.506 5.125 0 40 HKAB CCOc1cccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)c1 33763129 PSVCXEALUUFPIO-BOPFTXTBSA-N 418.312 5.084 0 40 HKAB Cc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4ccccc4C)c3n2)s1 36617308 UTZKVTAZEBPECC-UHFFFAOYSA-N 415.490 5.726 0 40 HKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)c1 44947869 MABIONHXNCRAIS-INIZCTEOSA-N 409.954 5.221 0 40 HKAB COc1ccc(C(=O)N2C(=S)C(c3cccc(Cl)c3)=NC23CCCCC3)cc1 45932852 FUOKUHRMBIJMSK-UHFFFAOYSA-N 412.942 5.282 0 40 HKAB COc1ccc(C2=NC3(CCCCC3)N(C(=O)c3ccc(C)c(C)c3)C2=S)cc1 45933070 PAJQRWVAUOGWLZ-UHFFFAOYSA-N 406.551 5.245 0 40 HKAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(Cc1ccccc1Cl)CO2 58088623 CEPZAYASKPLELF-UHFFFAOYSA-N 417.892 5.774 0 40 HKAB biogenic C[C@H]1CCN(C(=O)c2cnc3ccccc3n2)c2cc(C(F)(F)F)ccc2S1 60774176 PZUZTCOERUUTPY-LBPRGKRZSA-N 403.429 5.180 0 40 HKAB C[C@H](Oc1ccc(F)cc1)c1nnc(C2(c3cccc(Cl)c3)CCOCC2)o1 71889868 QJOFEADLZQVGTK-AWEZNQCLSA-N 402.853 5.099 0 40 HKAB O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1CCC[C@H](c2nc3ccccc3o2)C1 72302776 WSVFPAJLUHNRNW-INIZCTEOSA-N 415.468 5.412 0 40 HKAB Cc1cccc(NC(=O)Nc2cccc3c2N(Cc2nnc(C(C)C)o2)CCC3)c1 72308725 CDCFVJRTSYTCHM-UHFFFAOYSA-N 405.502 5.098 0 40 HKAB C[C@H]1[C@H]2[C@@H]3OC[C@]1(COC(=O)NC1CCCCC1)[C@H](C)C[C@@]2(C)Oc1ccccc13 72324071 HTEHTVFZNJDZHV-SMCSIARKSA-N 413.558 5.246 0 40 HKAB Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72349869 IVLBHTWVBWKXLD-QGZVFWFLSA-N 411.958 5.111 0 40 HKAB COc1ccc([C@H]2Sc3ccccc3N=C3c4cc(C)ccc4OC[C@@H]32)cc1OC 96562531 ZZMVYMZKZAFILE-AVRWGWEMSA-N 417.530 5.989 0 40 HKAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OC(F)F 106703181 JJQAYKPXHAVUPR-WQRHYEAKSA-N 419.449 5.232 0 40 HKAB Cc1cc(C)cc(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1 108074098 MWERVMQICMKYGI-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB O=C(NCc1cccc(Br)c1)c1cc2ccccc2n1Cc1ccccc1 199403900 CHCPEMDRDAAZJY-UHFFFAOYSA-N 419.322 5.382 0 40 HKAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)c1 214613439 BPXJNOYWNMXPLU-UDWIEESQSA-N 409.894 6.145 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](c1ccccc1)c1ccccc1C 216272684 XZFGJTMYLMYIHN-GOTSBHOMSA-N 409.982 6.425 0 40 HKAB Cc1ccccc1[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1 216291791 WBEJHASDSNEYOG-QFIPXVFZSA-N 400.305 5.586 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219350022 UMVABLHHTTYSCU-GOTSBHOMSA-N 403.522 5.724 0 40 HKAB C[C@@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc2c(c1)CCCC2 222906677 TXEXVIIYZHNOLL-VWBBVOOFSA-N 415.964 6.637 0 40 HKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 222991814 YWBOISULVAHABY-MFWYUJQYSA-N 417.593 6.567 0 40 HKAB CC(C)(C)c1ccccc1OCCNC(=O)CCCSc1ccc(Cl)cc1 223731000 GYPQKQIFJGVUHR-UHFFFAOYSA-N 405.991 5.705 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1cccc(Cl)c1 224145844 RZAPIMZOEAMRSQ-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB C[C@@H](NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 224966666 VAEQNWXJKIVBLU-OAHLLOKOSA-N 420.871 6.292 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCCCC1 225657630 APMPIFQQWVSTHS-UHFFFAOYSA-N 416.606 5.400 0 40 HKAB CCCO[C@@]1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OCC)c2)CCC[C@@H](C)C1 225854295 KFYHCWGQWNARAT-KOSHJBKYSA-N 419.562 5.212 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1 225864176 DFUKUWUKOBZESO-UHFFFAOYSA-N 416.974 5.581 0 40 HKAB COC(=O)c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226339700 LZYBKXBMACSLGY-UHFFFAOYSA-N 424.505 5.775 0 40 HKAB CCOc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)Nc2ccc(Cl)cc2)cc1 226757731 UNSYRJKMBGKKKR-QFIPXVFZSA-N 414.332 6.818 0 40 HKAB COc1cccc(C(=O)N2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)c1 257341258 ZJOAJOJLUYQTDZ-NRFANRHFSA-N 420.940 5.354 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(O)cc2)cc(Cl)c1OCc1ccc(C)cc1 408551751 FUQNISODRDJNHW-UHFFFAOYSA-N 411.885 5.584 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3C)n2)cc1 408693764 DDKHDKCLHRBAFC-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2cccc(Cl)c2)c(C)c1 408698171 LREQETQVMZHDCQ-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1sc(Nc2ccc(Cl)c(Cl)c2)nc1-c1ccc(Br)cc1 409047245 LZQMUVPJDNUQLS-UHFFFAOYSA-N 414.155 6.931 0 40 HKAB O=C1N/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1C1CCCCC1 409093189 XYPSGDBNSQETMC-BOPFTXTBSA-N 405.281 5.479 0 40 HKAB Cc1cccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)c1C 409112727 CGGBHOQHRNRNKH-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB CCc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 409112730 CHBLIAVOKVGQEN-UHFFFAOYSA-N 416.348 6.756 0 40 HKAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 409168910 NMZREASGCSTXRY-UHFFFAOYSA-N 422.337 5.898 0 40 HKAB Cc1ccc(SCCC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 409173574 LZHZGEGXJIGHKW-UHFFFAOYSA-N 407.604 6.717 0 40 HKAB C[C@@H]1CCc2c(sc(NC(=O)C(C)(C)C)c2C(=O)Nc2ccc(Cl)cc2)C1 722383 GIDICMGVUKBAPV-GFCCVEGCSA-N 404.963 5.763 0 40 HKAB Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)Nc3cccc4ccccc34)n12 877112 DKQOLJOWHUQAJT-UHFFFAOYSA-N 412.518 5.383 0 40 HKAB COc1ccc(C(=O)CSc2nc(-c3cccc(C)c3)nc3c2CCCC3)cc1 938763 XVQHYTIFQLWKAI-UHFFFAOYSA-N 404.535 5.314 0 40 HKAB Cc1ccc(-c2cc3nc4c(c(NCc5cccc(C(F)(F)F)c5)n3n2)CCC4)cc1 1340881 FHYKNWZZIFBCCJ-UHFFFAOYSA-N 422.454 5.824 0 40 HKAB O=C(/C=C/c1ccccc1)N1CCC(c2cc(-c3cccc4ccccc34)[nH]n2)CC1 1399627 YUOWPNXGYZOMOT-BUHFOSPRSA-N 407.517 5.649 0 40 HKAB COC(=O)c1c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc2c1CCC2 1773509 PQMMMTAXAHQUGV-UHFFFAOYSA-N 415.555 5.119 0 40 HKAB Cc1ccc([C@H](CCN[C@H](C)c2ccc(Cl)cc2)c2ccc(OC(C)C)cc2)cc1 1819010 BQCMHIUJKMUBKE-ZBLYBZFDSA-N 422.012 7.308 0 40 HKAB biogenic COc1ccc([C@@H](C)NCC[C@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1 2114766 ZQFNXXNYOCDXTL-SKCUWOTOSA-N 417.593 6.664 0 40 HKAB biogenic COc1ccc(-c2nc(-c3cc(OC)c4c(c3)OCO4)[nH]c2-c2ccccc2)cc1 2293471 JEQKOHNSCAOBLY-UHFFFAOYSA-N 400.434 5.157 0 40 HKAB CCc1cccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)c1 2394897 LEFADSKLSSVZLU-UHFFFAOYSA-N 414.509 5.208 0 40 HKAB CC[C@@H](C(=O)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)c1ccccc1 2450495 RVBXQVFQJUYVPF-OAHLLOKOSA-N 406.338 5.568 0 40 HKAB COc1ccccc1[C@@H](Nc1ccccc1Br)c1c(C)[nH]c2ccccc12 2546259 ILVQAVAPBPADPA-HSZRJFAPSA-N 421.338 6.449 0 40 HKAB CCc1cccc(CC)c1NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 2621752 GPQZRXSXRWIAJM-UHFFFAOYSA-N 415.609 5.519 0 40 HKAB O=C(CSc1ccc(Br)cc1)Nc1ccccc1Cc1ccccc1 2654366 GWNQSPNQWLNFOD-UHFFFAOYSA-N 412.352 5.771 0 40 HKAB CCCCCCC(=O)N[C@H](Sc1nc2ccccc2o1)C(Cl)(Cl)Cl 3148802 XLYLPEPDCRFONC-CQSZACIVSA-N 409.766 5.703 0 40 HKAB O=C(O)c1ccc2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccc(F)cc3)nc2c1 3668884 RDVPRCBDEACXSF-UHFFFAOYSA-N 420.443 6.468 0 40 HKAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(F)cc2)n2c(nc3ccccc32)N1 4742068 IKYBHDSMXDJIPD-QHCPKHFHSA-N 412.468 5.411 0 40 HKAB O=C(CSC1=NC2(CCCCCC2)N=C1c1ccccc1)Nc1cccc(F)c1 4890921 VVFSMHRZIAJTSJ-UHFFFAOYSA-N 409.530 5.449 0 40 HKAB COc1cccc(-c2cc3nc(-c4ccccc4)cc(N4C[C@H](C)C[C@@H](C)C4)n3n2)c1 4980606 CSYWTDMTPFYAKF-RTBURBONSA-N 412.537 5.554 0 40 HKAB CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1nc2ccccc2n1CCc1ccccc1 5827890 QXMTYPJEYFVPQE-FPOVZHCZSA-N 421.610 5.551 0 40 HKAB CCOc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(Cl)cc32)cc1OCC 6601872 IIKJXONCLGLQGQ-UHFFFAOYSA-N 419.912 5.571 0 40 HKAB C[C@@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)C12CC3CC(CC(C3)C1)C2 7780466 HJGCCKVKJJEXBV-HJVVTLAKSA-N 416.732 5.373 0 40 HKAB CCCCc1ccc2nc(NC(=O)Cc3csc(-c4ccccc4)n3)sc2c1 7995828 ZEDHTBFJXQIXQE-UHFFFAOYSA-N 407.564 5.944 0 40 HKAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 8071177 KPNLUQXJALCCKI-OAHLLOKOSA-N 402.951 5.088 0 40 HKAB OC1CCC(Nc2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)CC1 8149158 MBUQBQAPUYTMRQ-UHFFFAOYSA-N 402.523 5.136 0 40 HKAB CCCCOc1ccc([C@@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)OCC)cc1 8306553 GRRUIRNKIVYIGU-QFIPXVFZSA-N 405.498 5.176 0 40 HKAB Clc1cc2c(c(CSc3nnc(-c4ccccc4)c4ccccc34)c1)OCOC2 8824997 OPNUPIISSXNBLX-UHFFFAOYSA-N 420.921 6.109 0 40 HKAB Cc1c(CC(=O)Nc2ccccn2)c(=O)oc2c(C)c3occ(-c4ccccc4)c3cc12 9410976 KILDIJUHXAWRIW-UHFFFAOYSA-N 424.456 5.399 0 40 HKAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@@H](C)c1ccccc1Br 9513836 XUNFCYCCDFHPDY-LBPRGKRZSA-N 423.376 5.295 0 40 HKAB CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(OC)cc4)ccc3o2)cc1 9660182 JMVKFFAIAADIEF-UHFFFAOYSA-N 415.445 5.120 0 40 HKAB biogenic CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccsc2)cc1 10215708 SSWOYWYZAORXFQ-NZQKXSOJSA-N 406.507 5.398 0 40 HKAB COc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 10588514 RSBNHRRHLRKMMY-UHFFFAOYSA-N 400.503 5.667 0 40 HKAB COc1cc(/C=C2\SC(=O)N(c3ccc4ccccc4c3)C2=O)cc(OC)c1OC 12278516 WBUOOSHXIKRFNC-NDENLUEZSA-N 421.474 5.107 0 40 HKAB C[C@@H]1C/C(=C/c2cccs2)C2=NN(C(=O)c3ccncc3)[C@H](c3cccs3)[C@H]2C1 12558901 DBOVRNHDBFCWEW-DSOHFVAKSA-N 419.575 5.887 0 40 HKAB C/C(Cl)=C/CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 13598297 RBKJVQFTGKUMAN-RAXLEYEMSA-N 423.994 6.630 0 40 HKAB O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCC[C@@H]2CCCC[C@H]21 14181022 HPLWIVHROGPNPO-PZJWPPBQSA-N 410.583 5.047 0 40 HKAB CSc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccc(F)cc2)cc1 15082751 VUBMRLSHVWBVFZ-HNNXBMFYSA-N 413.495 5.448 0 40 HKAB CCOc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4c(C)cccc4cc23)cc1 16955964 QUKBKUADEFYEMR-UHFFFAOYSA-N 402.498 5.200 0 40 HKAB Cc1csc([C@@H](Cc2cccs2)NCc2ccccc2OCc2ccccn2)n1 19240110 LGCORBNVLOKJPO-OAQYLSRUSA-N 421.591 5.561 0 40 HKAB CCOc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccc(C)o3)no2)cc1 21524320 QJNDZAIFHDRZKW-UHFFFAOYSA-N 406.438 5.077 0 40 HKAB CCOC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN([C@H](C)c2ccccc2)C1 21670150 AWYFSMCRVCEPMH-MRXNPFEDSA-N 415.489 5.984 0 40 HKAB COc1ccc2cc(CN(C)C(=O)c3ccccc3SC[C@@H]3CCCO3)ccc2c1 21708958 KYWCELALFYPECI-QFIPXVFZSA-N 421.562 5.392 0 40 HKAB O=C(COc1ccc(F)cc1)Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1 21944955 MWURUOQATAHVDP-UHFFFAOYSA-N 421.859 5.349 0 40 HKAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc(-c2nc3ccccc3o2)cc1 23362827 OHFUQTDSBYBZEM-SFHVURJKSA-N 411.461 5.025 0 40 HKAB C[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1cccc(Br)c1 27736052 KXXOFOYRVOWFQH-NSHDSACASA-N 407.358 5.054 0 40 HKAB O=C(COc1ccc(Oc2ccccn2)cc1)NC(c1ccccc1)c1ccccc1 29249299 MDKAOPXEPZIUBG-UHFFFAOYSA-N 410.473 5.159 0 40 HKAB CC(C)Cc1ccc([C@@H](NC(=O)CCc2nnc(-c3ccsc3)o2)C(C)C)cc1 32908361 CZPNGQCKBXXJAO-QFIPXVFZSA-N 411.571 5.443 0 40 HKAB Cc1cccc2[nH]cc(C3=CCN([C@H](C)C(=O)Nc4ccc(F)cc4Cl)CC3)c12 32935662 HKERHONMNNPXHX-OAHLLOKOSA-N 411.908 5.385 0 40 HKAB C[C@H](Cc1ccccc1Cl)NC(=O)c1ccccc1SCc1cscn1 40111978 HXKRDEJRCBNTEJ-CQSZACIVSA-N 402.972 5.450 0 40 HKAB O=c1c2ccccc2nc(SCc2cc(F)cc(F)c2)n1Cc1cccs1 67259525 DWGCTMKWZWYAOV-UHFFFAOYSA-N 400.475 5.077 0 40 HKAB CSc1ccc(CNc2nc3c(-c4ccc(F)cc4)nnn3c3ccccc23)cc1 67261393 LUBDIVOXACCQPM-UHFFFAOYSA-N 415.497 5.418 0 40 HKAB CCc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc1 67289684 IRWDOFNLXXFXQA-UHFFFAOYSA-N 416.550 5.306 0 40 HKAB CCCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 72215826 WZRQOJMCPBDVJC-JOCHJYFZSA-N 409.574 6.482 0 40 HKAB CN(C)c1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccccc4)C3=C(O)C2)cc1 102928395 PTPIXMVCVKJRSH-CCLHPLFOSA-N 409.533 6.382 0 40 HKAB CC[C@@H](/C=C\[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118915231 HCXVJBMSMIARIN-RPEBUPGWSA-N 412.702 7.801 0 40 HKAB Cc1ccn2cc(-c3cccc(NC(=O)[C@@H](c4ccc(Cl)cc4)N(C)C)c3)nc2c1 141548384 FYLSLPAMNUBBQY-HSZRJFAPSA-N 418.928 5.205 0 40 HKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2cccc3ccccc23)C1=O 214871266 MYENBHNWVIGLNL-HAFIMRKLSA-N 417.530 6.254 0 40 HKAB CCOC(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1C 218989955 MJNQXMSKYPLAFJ-UHFFFAOYSA-N 423.896 5.656 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)c1 224296304 WFAYGDXMQGSPDN-BJKOFHAPSA-N 416.594 5.792 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccccc1OC 224575178 PWUXTKGIHFUPTJ-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1Cl 225555697 WTJLSAVXOYXJKO-UHFFFAOYSA-N 406.353 6.623 0 40 HKAB CC(C)Oc1cccc(NC(=S)NCCCSCc2ccc(Cl)cc2)c1 225610481 FVNKVWBPTAUZQN-UHFFFAOYSA-N 409.020 5.737 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC[C@H](C)C1 225663074 CTUQLVQALNQYIH-SQJMNOBHSA-N 416.606 5.111 0 40 HKAB CCOc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cc1 225848633 NBZPKGKOKDMTOQ-UHFFFAOYSA-N 402.991 5.971 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2cccnc12 225876443 NZJVUVQPAVRIPD-UHFFFAOYSA-N 424.928 5.364 0 40 HKAB O=C1c2ccccc2CN1c1ccc2nc(-c3cccc4c(Cl)cccc34)oc2c1 226286951 FDURJNQCXQILOR-UHFFFAOYSA-N 410.860 6.462 0 40 HKAB O=C(CSCc1c(F)cccc1Cl)Nc1ccc(Cl)cc1C(F)(F)F 408564601 YEEDNOBACXSNPB-UHFFFAOYSA-N 412.235 6.023 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1 408628479 UFJAOFZFMXXAQR-UHFFFAOYSA-N 405.885 5.463 0 40 HKAB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2c[nH]c3ccccc23)C1=O 408816041 QSDCPDIGMHWPCR-GCVNGYBQSA-N 416.570 6.222 0 40 HKAB CCOc1ccc(NCc2ccccc2OCc2ccc(Br)cc2)cc1 409116406 IXWWLINYWKSFPK-UHFFFAOYSA-N 412.327 6.039 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409379551 XQVBCOBKNXMTSX-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB CC(C)Oc1cc(Cl)ccc1-c1ccc(C(=O)O)c(CCC2CCCCC2)n1 585265147 HKAVBYJREKGERF-UHFFFAOYSA-N 401.934 6.400 0 40 HKAB Cc1cccc(C(=O)N2CCCCCCCN(C(=O)C(C)C)c3ccccc3C2)c1 2037885038 RYRKROUUOPOBOY-UHFFFAOYSA-N 406.570 5.591 0 40 HKAB Cc1ccc2c(c1)[C@H](Nc1ccc(OCCN(C)C)cc1)c1ccccc1CS2 717630 QQZUJGHOAFEOQU-RUZDIDTESA-N 404.579 5.743 0 40 HKAB Cc1cccc(OCc2nnc(SCC(=O)c3ccccc3)n2-c2ccccc2)c1 976876 RDJYBSDSXUJVTQ-UHFFFAOYSA-N 415.518 5.130 0 40 HKAB CCc1cc([C@H](c2cccc(F)c2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 1298759 MAVNJYXTFUQFKO-QFIPXVFZSA-N 424.541 5.124 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COc1cc(C)cc(C)c1 1944151 PUWVLBFXLSNIIE-UHFFFAOYSA-N 423.534 5.535 0 40 HKAB CC(=O)N(CC[C@@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 2347703 QDDZRHHYNAPSFM-VWNXMTODSA-N 403.607 5.690 0 40 HKAB CCCSc1nc(SCCC(C)C)c2c3c(sc2n1)CO[C@](C)(CC)C3 2376336 OMRSINFYRRRXNT-HXUWFJFHSA-N 410.674 6.573 0 40 HKAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(C)cc1 2399084 MEDJNWGRYCQXAY-PWUYWRBVSA-N 408.482 5.812 0 40 HKAB Clc1ccc(-c2nnc3c4ccccc4nc(Nc4ccccc4)n23)c(Cl)c1 3063673 UQCULXQUEBXGBP-UHFFFAOYSA-N 406.276 5.995 0 40 HKAB O=C(CSCC(=O)c1ccc2c(c1)Cc1ccccc1-2)Nc1ccc2ccccc2c1 3145062 KCFRZQWAZLTDIM-UHFFFAOYSA-N 423.537 5.966 0 40 HKAB CC(=O)c1ccc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2cccs2)cc1 3291042 KAHWAGZWAPZHFP-UHFFFAOYSA-N 418.543 5.922 0 40 HKAB Clc1ccc(C2=NN(c3cccc(Cl)c3)[C@H](c3ccc(Cl)cc3)C2)cc1 4199488 LQDQDAPZEPWKTM-NRFANRHFSA-N 401.724 7.003 0 40 HKAB COc1ccc(C(=O)COc2ccc3oc(=O)c(-c4ccccc4)c(C)c3c2)cc1 4340581 YSSMKNLCWNKOGO-UHFFFAOYSA-N 400.430 5.039 0 40 HKAB biogenic c1ccc(C2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4cccs4)=NN23)cc1 4363915 SCPUQOGTUIGOAM-WRVMZKTCSA-N 400.547 6.346 0 40 HKAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 4390286 KRPWKJXCSHAYRG-HXUWFJFHSA-N 408.423 5.749 0 40 HKAB CNC(=O)c1c(NC(=O)c2sc3cc(C)ccc3c2Cl)sc2c1CCCC2 4616415 PLENZQAFYJGIAD-UHFFFAOYSA-N 418.971 5.415 0 40 HKAB Cc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)[C@H]2NC2CCCCC2)cc1 5105033 YRQYUGOENIATHT-NSOVKSMOSA-N 409.577 6.252 0 40 HKAB C[C@@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)C12CC3CC(CC(C3)C1)C2 5163750 XLAGODFVKWSRES-TWSLPJAOSA-N 408.394 6.543 0 40 HKAB CCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2C)cc1 5173231 BCKYTLOCGIPOOL-UHFFFAOYSA-N 400.478 6.153 0 40 HKAB O=c1nc(SCc2cccc3ccccc23)c2c(n1Cc1cccs1)CCC2 5267893 GWUYPVYIVJPNDB-UHFFFAOYSA-N 404.560 5.287 0 40 HKAB Cc1ccc(Nc2nnc(SCC(=O)C34CC5CC(CC(C5)C3)C4)s2)cc1C 5560184 KVAWHUSEVQUNAJ-UHFFFAOYSA-N 413.612 5.776 0 40 HKAB CCOc1cc(C(=O)Nc2ccc3sc(C)nc3c2)cc(OCC)c1OCC 6354903 ZGXJCWFAYFPHQL-UHFFFAOYSA-N 400.500 5.053 0 40 HKAB Cc1ccc2nc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)sc2c1 6815652 BPCLJBZISVXLDI-UHFFFAOYSA-N 417.559 5.250 0 40 HKAB CCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCC 7361020 ZCYMNTWSQAGMOQ-UHFFFAOYSA-N 413.495 5.077 0 40 HKAB CCc1ccccc1NC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C 7724221 ZCNRHBPGQMUJGH-UHFFFAOYSA-N 400.478 5.838 0 40 HKAB COc1c(C)c(C/C=C(\C)CC/C=C(/C)CCC=C(C)C)c(OC)c(OC)c1OC 8665910 XUKZWFXRDDPNAW-XVXRZGLOSA-N 416.602 6.991 0 40 HKAB Cc1cccc(CN2CCC(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)c1 9063044 NWNIGFSAGMVBJT-UHFFFAOYSA-N 410.867 5.518 0 40 HKAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3nc(-c4ccccc4)cs3)c2Cl)cc1 9284339 LVMLWTREFBSUHW-UHFFFAOYSA-N 422.941 5.577 0 40 HKAB Cc1cc(C)cc(OCC(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 10120446 QVASRJIVHQIZJN-UHFFFAOYSA-N 414.505 5.424 0 40 HKAB CCCCN1C(=O)c2cccc3c(NC(=O)CSCc4ccccc4)ccc1c23 10591462 NONUEZZZQXETBD-UHFFFAOYSA-N 404.535 5.472 0 40 HKAB C(=C(c1nc2ccccc2s1)c1nc2ccccc2s1)c1cccc2ccccc12 12311875 DXCVXRJCJKTRRT-UHFFFAOYSA-N 420.562 7.648 0 40 HKAB C[C@@H]1CCc2sc(C(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)cc2C1 12616709 QXAHNNCUJMNKJJ-GFCCVEGCSA-N 402.972 5.826 0 40 HKAB CCCc1ccc(NC(=O)c2ccccc2SCc2cn3ccccc3n2)cc1 12628576 BAWALLWOICGMDI-UHFFFAOYSA-N 401.535 5.831 0 40 HKAB Cc1cc(C)c(NC(=O)CN(C)c2nc(C)nc3sc4c(c23)CCCCC4)c(C)c1 13096326 WIIWPLLWQZNBRT-UHFFFAOYSA-N 422.598 5.269 0 40 HKAB CC1(C)C[C@]23Oc4ccccc4N2C(c2ccccc2)=C[C@H](c2ccccc2)[C@@H]3CO1 13510482 FVYWBKDBHKJWES-AWVRMFGXSA-N 409.529 6.235 0 40 HKAB C[C@@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1 14092794 MCMXMZXVJYGWQY-IAGOWNOFSA-N 407.441 5.041 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3c2[C@@H](c2ccc(C(F)(F)F)cc2)CC(=O)N3)C1 15106895 CKEPWPSNVBJLET-GOEBONIOSA-N 407.501 6.392 0 40 HKAB Clc1ccc(COc2ccc3ccccc3c2CNCCc2ccccc2)cc1 16479299 WMXSCANNASDEBF-UHFFFAOYSA-N 401.937 6.405 0 40 HKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1CCc1ccccc1 16749757 AXRBOOACTMEKMV-JOCHJYFZSA-N 415.876 5.234 0 40 HKAB COc1ccc(-c2cnc3c(-c4ccccc4)c(-c4ccccc4)nn3c2N)cc1OC 21364839 DLRYRDVSTIJEAB-UHFFFAOYSA-N 422.488 5.330 0 40 HKAB Cc1ccccc1CSc1nnc(NC(=O)c2cc(-c3cccs3)on2)s1 21524199 XHYHCNITQSLMKO-UHFFFAOYSA-N 414.537 5.108 0 40 HKAB Cc1cc(=O)oc2c(C)c(OCc3nc(-c4cccc(C(F)(F)F)c4)no3)ccc12 24984328 XLHNSLZVLCTSSH-UHFFFAOYSA-N 416.355 5.058 0 40 HKAB Clc1ccc(-c2ccc(-c3nn4c(-c5ccco5)nnc4s3)o2)cc1Cl 26947116 BLYLMYMVUIFXTG-UHFFFAOYSA-N 403.250 5.680 0 40 HKAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2occc2-c2ccccc2)cc1 31079562 SXFWBLUFVVPKMO-UHFFFAOYSA-N 410.517 5.605 0 40 HKAB COc1ccc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C\C2=C(C)CCCC2(C)C)cc1 31425011 DBQHWMPFMCOGIW-RYCBKSCRSA-N 405.582 7.165 0 40 HKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1cccc(Cl)c1 32692501 GMULZYBIPXPYTQ-UHFFFAOYSA-N 419.937 6.128 0 40 HKAB O=C(CSc1cccc2ccccc12)Nc1cccc(I)c1 32693114 CVFAGCCOEIACMH-UHFFFAOYSA-N 419.287 5.175 0 40 HKAB Cc1ccccc1-c1nc(-c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)no1 33327281 GIDRRDCRKGBYGN-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB O=C1N/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1ccc(Cl)cc1 35647419 VCJPQEKQGMISAM-VGOFMYFVSA-N 417.239 5.904 0 40 HKAB Cc1ccc([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)c(C)c1 38756183 IDAJCJFJTIZVIP-INIZCTEOSA-N 418.375 5.620 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38834284 XCXDDUQZBKDZQD-MRXNPFEDSA-N 407.341 5.243 0 40 HKAB COc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1 67190063 YDNYMBWMLNGSGE-RWEWTDSWSA-N 404.853 5.580 0 40 HKAB Clc1cccc(-c2nnn3c2nc(NCCC2=CCCCC2)c2ccccc23)c1 67261447 FRTJQDRXCLGOMO-UHFFFAOYSA-N 403.917 5.900 0 40 HKAB CCC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cc2ccc(OC)cc2nc1Cl 69382956 WAQOBZMIDIRXOK-FQEVSTJZSA-N 411.864 5.124 0 40 HKAB c1ccc(C(Cc2nn3c(-c4cc5ccccc5o4)nnc3s2)c2ccccc2)cc1 96193866 PMNACXVZBFXJOZ-UHFFFAOYSA-N 422.513 5.974 0 40 HKAB Cc1ccc(N/C=C2\C(=O)N(OCc3ccc(Cl)cc3)C(=O)c3ccccc32)cc1 100142720 CZTOVYWGFVQRNP-HMAPJEAMSA-N 418.880 5.216 0 40 HKAB CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)cc1 102800635 WSCOKSJXHBGGDM-VXKWHMMOSA-N 419.521 5.273 0 40 HKAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 103360663 BREYTMYVXXEAFI-MELADBBJSA-N 406.404 5.316 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219388032 BHASRBBGJLXPTO-ICSRJNTNSA-N 419.974 5.638 0 40 HKAB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)n1 220825552 ZJAHPJGWOUISDC-MRXNPFEDSA-N 410.905 5.185 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(C)c(Cl)c4)o3)N21 222715940 LPXUTMZINJLALU-URZJWIJPSA-N 423.969 6.283 0 40 HKAB CCc1ccc(O[C@H](CC)C(=O)NCCSCc2c(F)cccc2Cl)cc1 222880231 LWOXNEHZOCUEGQ-HXUWFJFHSA-N 409.954 5.249 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc(-c2ccc(F)cc2)on1 224068565 PJVAFAYIOOEKBK-UHFFFAOYSA-N 408.816 6.179 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2SC)cc1CSc1ccc(C)cc1 224341972 CFMDICKZLWQMHA-UHFFFAOYSA-N 409.576 6.270 0 40 HKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225745683 NXRQOOMIFULTDG-RUZDIDTESA-N 418.622 5.501 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccccc1 225881750 WERIJDBYCZUPSP-NCJDQSJGSA-N 404.535 5.095 0 40 HKAB Fc1ccc(C[n+]2cc(Br)cc(-c3nc4ccccc4s3)c2)cc1 226308349 BGQACFMGMQNUSN-UHFFFAOYSA-N 400.296 5.201 0 40 HKAB O=S(=O)(Oc1cc(Cl)ccc1Cl)c1cc(Cl)c(Cl)cc1Cl 226855900 YZAXEJWDRRHOLW-UHFFFAOYSA-N 406.501 5.721 0 40 HKAB CC(C)[C@@H]1C[C@@]2(CCCN(C(=O)c3ccc(O)cc3)C2)CO[C@H]1c1ccc(F)cc1 257229539 FYMAKDPYEVOIHO-SONWIMMPSA-N 411.517 5.188 0 40 HKAB O=C(c1ccccc1-c1ccccc1)N1CCOC[C@@H](Cc2cnc3ccccc3c2)C1 257293476 QPOPTNUTQRLBJU-QFIPXVFZSA-N 422.528 5.233 0 40 HKAB O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)cc1Cl)c1ccccc1F 408626054 KSKWXBBHESOPGB-UHFFFAOYSA-N 410.297 5.528 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(F)cc2)c1 408695043 OHCKHFQHIRBICM-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(C)c(C)c2)c1 408696713 BJYOXGWGWZSVHJ-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB CCc1cccc2c(/C=C3\SC(=O)N(C(C)C)C3=O)cn(Cc3ccccc3F)c12 409125747 KCGNQYNCFULZDQ-MTJSOVHGSA-N 422.525 5.836 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OC)c2)cc1 409376750 ASUDHPACHFPGPW-UHFFFAOYSA-N 418.537 5.504 0 40 HKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)/C(=C/c3ccccc3Cl)C[C@H]12 1889130371 YMHMUKZSUKEOTI-SURAPSFGSA-N 415.017 6.098 0 40 HKAB O=C(C[C@@H](c1ccccc1)N(C(=O)Nc1ccccc1Cl)c1ccccc1)C1CC1 934460 WREVTSUAPYFPNT-QHCPKHFHSA-N 418.924 6.489 0 40 HKAB Cc1ccc(S(=O)(=O)N2CC[C@]3(Cl)CCCC[C@H]3[C@H]2c2ccccc2)cc1 1236024 UBOPKOJZKXANGC-BHDDXSALSA-N 403.975 5.299 0 40 HKAB Cc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NCc3cccs3)c2c1 1367418 GIDMUBPTVIBSOM-UHFFFAOYSA-N 423.538 5.214 0 40 HKAB Cc1sc2nc(C3CC3)nc(SCC(=O)Nc3cccc(Cl)c3C)c2c1C 1377383 VPDBZTYDNHXYJB-UHFFFAOYSA-N 417.987 5.878 0 40 HKAB CC(C)c1nc(SCC(=O)c2c[nH]c3ccccc23)c2c3c(sc2n1)CCCC3 1377450 ODVNJFPLJHRYFO-UHFFFAOYSA-N 421.591 6.150 0 40 HKAB O=c1ccc(-c2nc3cc(Cl)c(Cl)cc3n2Cc2ccccc2Cl)c[nH]1 1382118 DDEFQVKSNJHGLW-UHFFFAOYSA-N 404.684 5.400 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)oc2c1 1505712 SMNAHSYDMXWZSD-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB CCc1ccc(-c2csc(NC(=O)c3cccc(Oc4ccccc4)c3)n2)cc1 1513121 ZAEPZIVEBPXSOA-UHFFFAOYSA-N 400.503 6.417 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4c(Cl)cccc4Cl)c(=O)c23)C1 1784986 UOKCVFGTXYNPGD-NSHDSACASA-N 422.381 5.359 0 40 HKAB Cc1nn2c(Nc3cc(Cl)cc(Cl)c3)cc(C(C)C)nc2c1-c1ccccc1 2197990 VPRZAUZTBHYVEB-UHFFFAOYSA-N 411.336 6.879 0 40 HKAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1nc(-c2ccc(CC(C)C)cc2)cs1 2203983 GBCPOZJTZUJCOZ-OAQYLSRUSA-N 424.522 5.307 0 40 HKAB Cc1nc2sc(C(=O)c3ccc(Br)cc3)c(N)c2c2c1CCCC2 2208243 ASZGJQOEUNDUPI-UHFFFAOYSA-N 401.329 5.059 0 40 HKAB Fc1ccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2ccc(F)cc2)cc1 2301993 HCCQREMYSDHGPG-UHFFFAOYSA-N 411.249 6.451 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccccc2Cl)cc1 2348384 YFFDMIFPFKXWBQ-UHFFFAOYSA-N 420.896 5.195 0 40 HKAB CCCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 2388717 DAALZGUYWZAKRK-UHFFFAOYSA-N 401.601 5.791 0 40 HKAB CCCCCCOC(=O)c1c(N)n(-c2cccc(CC)c2)c2nc3ccccc3nc12 2397121 PWRBUDUQQPZPQJ-UHFFFAOYSA-N 416.525 5.455 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 2447156 UWJXDLBYHRWEQD-UHFFFAOYSA-N 414.534 5.282 0 40 HKAB COc1ccc2c(c1)c1nnc(-c3ccc(F)cc3)c-1cn2Cc1ccccc1OC 2690612 WEYQGVITAQVMRV-UHFFFAOYSA-N 413.452 5.408 0 40 HKAB Cc1nc(C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1cc(Cl)ccc1Cl 3111140 QTFYNAYSMRFHAA-UHFFFAOYSA-N 416.095 5.442 0 40 HKAB CCN(C(=O)COC(=O)C1(c2cccc(F)c2)CCCC1)c1cccc2ccccc12 3275963 BYLNVGCDTGMJAA-UHFFFAOYSA-N 419.496 5.387 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)c3csc4c3CC[C@@H](C)C4)n2)c1 3287648 JGQCGKRKKAWHKA-GFCCVEGCSA-N 414.552 5.266 0 40 HKAB COc1ccccc1/C=C/C(=O)O[C@@H](C(=O)c1ccc(C)cc1)c1ccc(C)cc1 3313872 GLODDZSTOPGOFE-ZMNABIIRSA-N 400.474 5.493 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CN1c1ccccc1F 4033454 ZAOMIHFZLGEVDJ-ZBWUASRJSA-N 411.480 5.409 0 40 HKAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1ccccc1Br 4176255 QSADSXGMASTQGR-UHFFFAOYSA-N 409.308 5.563 0 40 HKAB O=S(=O)(c1ccccc1)c1nc2ccccc2nc1/C=C/c1ccccc1Cl 4648762 LRUKYKBUKMBRPD-CCEZHUSRSA-N 406.894 5.286 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)Sc2ccc(Cl)cc2)CC1 5588114 ZCKVJSJWRBVJJA-OAHLLOKOSA-N 409.382 5.131 0 40 HKAB O[C@@H](COC(c1ccccc1)c1ccccc1)CN1CCC(Cc2ccccc2)CC1 5602855 LNOOMIWKLWUWAM-HHHXNRCGSA-N 415.577 5.108 0 40 HKAB Cc1cccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1 5938613 NIVWPGQXHVCAKG-MBBDBFLNSA-N 416.565 5.582 0 40 HKAB O=S(=O)(Nc1ccccc1Sc1ccccc1)c1cc(Cl)ccc1Cl 6362301 DEAUELWYPMCGTP-UHFFFAOYSA-N 410.347 5.945 0 40 HKAB CCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCc1ccc(Cl)cc1 6605958 HGSTYBKPACSUED-UHFFFAOYSA-N 406.869 5.221 0 40 HKAB Cc1ccc(NC(=O)C2CCC(C(=O)Nc3ccc(C)cc3Cl)CC2)c(Cl)c1 6852195 QMDRKBBRWRXLPU-UHFFFAOYSA-N 419.352 5.994 0 40 HKAB Cc1cccc(NC(=O)Cc2nc(-c3cc(C)n(-c4nccs4)c3C)cs2)c1 7845620 FXIKVCMWJXABNJ-UHFFFAOYSA-N 408.552 5.164 0 40 HKAB C[C@@]12CC3CC(NCc4cccc(OCc5ccccc5Cl)c4)(C1)C[C@](C)(C3)C2 8534543 HRGZLTGMSNVEDG-FMLGTGLNSA-N 410.001 6.758 0 40 HKAB O=C(NC[C@H](c1ccsc1)N1CCCCCC1)c1ccc(-c2ccccc2)cc1 8863164 AIDDPLRWGNVSIW-XMMPIXPASA-N 404.579 5.762 0 40 HKAB O=C(N[C@@H]1CCCc2ccccc21)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 8986801 CKYZIFKMJFUTFJ-GOSISDBHSA-N 419.834 5.352 0 40 HKAB C[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccccc1Sc1ccccc1 9385619 AOTJOROJDVTCHH-INIZCTEOSA-N 417.490 5.294 0 40 HKAB CC1(C)N=C(SCC(=O)Nc2ccc(F)cc2)C(c2ccc(Cl)cc2Cl)=N1 9599271 MITOVXGZGYYNKO-UHFFFAOYSA-N 424.328 5.442 0 40 HKAB O=C1S/C(=C/c2cc(Cl)c(O)c(Br)c2)C(=O)N1c1ccccc1 9720809 HSERMQDTZAICPH-MDWZMJQESA-N 410.676 5.049 0 40 HKAB Cc1cccc(C)c1N1C[C@H](c2nc3ccccc3n2CCCc2ccccc2)CC1=O 12062046 KIZKFHYCNFNTNI-HSZRJFAPSA-N 423.560 5.806 0 40 HKAB CC(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN23)cc1 12195422 HCDSGQYVRHRGLU-NOZRDPDXSA-N 402.925 6.706 0 40 HKAB Cc1ccc(Nc2nnc(S[C@@H](C)c3nc(-c4ccncc4)no3)s2)cc1C 12538368 ZFPGFAKUAISIOJ-ZDUSSCGKSA-N 410.528 5.197 0 40 HKAB CCOC(=O)c1sc(NC(=O)c2cc3ccccc3s2)nc1-c1ccccc1 12596457 YCYOKQWUJZFXCO-UHFFFAOYSA-N 408.504 5.454 0 40 HKAB O=C1NC(c2ccc(Cl)cc2)=C(c2nc3ccccc3[nH]2)[C@@H](c2ccc(F)cc2)N1 12650957 FXSJEEQHTMCCRM-OAQYLSRUSA-N 418.859 5.278 0 40 HKAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(CSc3nc(C)cs3)cc2)cc1 12916755 HOHLNFRKHIYIRN-OAQYLSRUSA-N 424.591 5.730 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)sc2c1CCCC2 13708521 PUMSSHOMRQLTJX-OAHLLOKOSA-N 423.534 5.363 0 40 HKAB Cc1ccc2nc(-c3ccccc3)nc(SC(C)(C)C(=O)Nc3cc(C)on3)c2c1 13995535 FHIKNPOOKIYCOP-UHFFFAOYSA-N 418.522 5.411 0 40 HKAB COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1Cl 14207553 YLMOMEUZCNJMHT-UHFFFAOYSA-N 411.820 5.252 0 40 HKAB CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Cl)cc2C2CCCCC2)C[C@H]1C(=O)O 14632527 BDYJGGSJTQZJEK-WMZOPIPTSA-N 423.937 5.229 0 40 HKAB O=C(NCc1ccc(OC(F)(F)F)cc1)[C@@H](Sc1ccccc1)c1ccccc1 14707332 GDTMLCAJFDLOEC-FQEVSTJZSA-N 417.452 5.735 0 40 HKAB Cc1cc(C)cc(Cc2cnc(NC(=O)C3=Cc4cc(Cl)ccc4OC=C3)s2)c1 15838595 OCDPQVNXWAXGOU-UHFFFAOYSA-N 422.937 5.932 0 40 HKAB FC(F)Oc1ccc(-c2cs/c(=N\c3ccccc3Cl)n2C2CCCC2)cc1 15912433 KYVHYLWZKNCFCP-DAFNUICNSA-N 420.912 6.819 0 40 HKAB Cc1ccc([C@H](Cc2ccsc2)NCc2cnc(-c3ccccc3C)nc2)nc1 19215638 YMMOJOBTNNVJHS-QHCPKHFHSA-N 400.551 5.291 0 40 HKAB Cc1cccc(CCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 20112366 VDBSITGXPAESDW-UHFFFAOYSA-N 405.563 5.529 0 40 HKAB CCN(CC)CCNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 22075731 IHIPZSCDOBUCRF-UHFFFAOYSA-N 411.373 5.012 0 40 HKAB CCc1ccc(CN(Cc2cccnc2)C(=S)Nc2ccc(C(C)=O)cc2)cc1 23107035 CMIADQVYSAHGGO-UHFFFAOYSA-N 403.551 5.246 0 40 HKAB O=C(Sc1ccccc1)c1nc(SCc2ccccc2Cl)ncc1Cl 28290891 SYFWOLVLKBXWHY-UHFFFAOYSA-N 407.347 6.008 0 40 HKAB O=C(c1ccc(Br)cc1)n1cnc(-c2ccccc2)c1-c1ccccc1 28467390 PCQOPGGFHNUXMD-UHFFFAOYSA-N 403.279 5.668 0 40 HKAB O[C@@H](COc1ccc(Cl)cc1)CN(Cc1ccc(Cl)cc1)Cc1ccco1 32593459 UXJDYGKBRJKBMF-LJQANCHMSA-N 406.309 5.029 0 40 HKAB Cc1cc(C)c(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(C)c1 38856100 KIXDMWQAXDAURN-UHFFFAOYSA-N 405.369 5.769 0 40 HKAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccccc1CCc1ccccc1 40052439 JQTSXMDZSJSVDK-UHFFFAOYSA-N 419.475 5.489 0 40 HKAB CCc1nn2c(ncc3c(=O)n([C@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccc(F)cc1 40396766 RAMFASYYRUIAST-QYWGDWMGSA-N 418.516 5.410 0 40 HKAB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CN3CCC(C)CC3)cc1)CC(C)(C)O2 44855276 HKGXSUPLOVCWHO-QHCPKHFHSA-N 406.570 5.259 0 40 HKAB O=C(CSc1cccc2cccc(Cl)c12)NCc1cn2cc(Cl)ccc2n1 48299036 CUQFXKWQFRJGBO-UHFFFAOYSA-N 416.333 5.203 0 40 HKAB Cc1cccc(-c2nc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)c(C)o2)c1 48989950 XWXUXBNTVITFKP-UHFFFAOYSA-N 418.518 5.354 0 40 HKAB COc1c(C(=O)Nc2cccc3nc(C)ccc23)cc2ccccc2c1Br 57316131 SNANIWXWGWONIW-UHFFFAOYSA-N 421.294 5.720 0 40 HKAB CC(C)=CCc1cc(-c2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)ccc1O 70454680 NZIDLHYOWGCCCH-UHFFFAOYSA-N 406.478 5.594 0 40 HKAB biogenic,in-vitro O=C(Nc1nnc(C2CC2)s1)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2 96884426 QMFHHXIGHJUDBA-VKAVYKQESA-N 424.529 5.703 0 40 HKAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C3C4CC5CC(C4)CC3C5)[C@H]2C(=O)N1c1cccc(Cl)c1 102954158 QAEZXYJFCPDXSK-XBUBCADRSA-N 405.925 5.014 0 40 HKAB CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OCC 106688534 ZBCNAXYQRVPEJE-UNOMPAQXSA-N 417.914 5.374 0 40 HKAB CC1(C)C[C@@H](NC(=O)c2cccc(OCc3ccccc3Cl)c2)c2ccccc2O1 219844540 TZUVMHQOLVCPJT-JOCHJYFZSA-N 421.924 5.951 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 222915452 XOKZDIICYLPHKD-VWLOTQADSA-N 417.549 6.359 0 40 HKAB C[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc2c(c1)CCC2 223230889 OMIYOYUXVOSBHZ-QGZVFWFLSA-N 405.925 5.899 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)c1 224252348 PHOXIBPKCLKCCR-DNQXCXABSA-N 416.594 5.874 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccc2ccccc2c1 224639572 JYAUYMLKGSZHLX-UHFFFAOYSA-N 411.501 6.378 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)CSCc3ccc(Cl)cc3F)ccc21 225179552 HDIKTUFKLSERFX-UHFFFAOYSA-N 424.950 5.308 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225267475 MZMIHRBWLRVTFF-UHFFFAOYSA-N 412.276 5.798 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)NC1CCCCC1 225349857 NZFMRPYOZHOXBG-UHFFFAOYSA-N 419.352 5.627 0 40 HKAB Cc1ccccc1CSCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225361066 NEXBCNQHLYNXAK-UHFFFAOYSA-N 418.937 5.887 0 40 HKAB CCOC(=O)c1cc(NC(=O)CCc2ccc(Cl)cc2Cl)ccc1Cl 225374947 PPZUIGGSFXGXNB-UHFFFAOYSA-N 400.689 5.395 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccc(Cl)cc2)CCOCC1 225579262 LKPNKRMZKUHEJE-UHFFFAOYSA-N 421.924 5.606 0 40 HKAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225635450 HXGZDBWVFKWSCP-LBPRGKRZSA-N 402.869 5.421 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)c1 225765320 PMFOAFSVADSFKU-LJQANCHMSA-N 404.963 5.427 0 40 HKAB COc1cccc(-c2nnsc2C(=O)Nc2ccccc2Sc2ccccc2)c1 225767934 PVWVNQDEBLXXEZ-UHFFFAOYSA-N 419.531 5.617 0 40 HKAB CCOc1ccccc1NC(=S)NC1(c2cccc(C(F)(F)F)c2)CCCC1 225847737 OTVGEDSNMUUEBB-UHFFFAOYSA-N 408.489 5.860 0 40 HKAB CCOc1ccccc1NC(=S)NC1(CCc2ccc(Cl)cc2)CCCC1 225848132 PFNLZJDOIJHISB-UHFFFAOYSA-N 402.991 5.971 0 40 HKAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)c1cc(-c2ccc(Cl)cc2)on1 225898532 BLERZSXLZDDFQP-NSHDSACASA-N 417.690 5.349 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCN3CCCC[C@H]3C)cc2)CCCCC1 260812366 AVHIXTJSEXEUJC-HXUWFJFHSA-N 402.579 5.008 0 40 HKAB CC(C)(C)C(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 408626878 JCEFHIDWMVPPSW-UHFFFAOYSA-N 403.960 5.476 0 40 HKAB CC(C)CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)c2ccccc21 409113907 GGJIRWMNFVQZBV-JCMHNJIXSA-N 417.936 6.462 0 40 HKAB O=C1S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1CC1CCCCC1 409133655 MWKNUSAIKUUFIL-PXLXIMEGSA-N 407.535 5.882 0 40 HKAB CCOC(=O)c1c(NC(=O)CSCc2cc(C)cc(C)c2)sc2c1CCCC2 409135876 SRCJGXDULWFLRE-UHFFFAOYSA-N 417.596 5.292 0 40 HKAB COc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1ccc(F)cc1 409198567 CBNBXSRUOLSVTE-UHFFFAOYSA-N 407.510 5.147 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]21)c1ccccc1 409367543 DTMDGGSIUDENOO-NBJYBMASSA-N 410.300 5.389 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 822709 HNEMYFWIQYAZNL-UHFFFAOYSA-N 416.521 5.887 0 40 HKAB O=C(CSc1ncc(-c2ccccc2)n1C1CCCC1)N1CCc2ccccc21 1339965 RFVUMEUMLNAOHS-UHFFFAOYSA-N 403.551 5.347 0 40 HKAB aggregator Cc1cccc(CCN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)C2CCCCC2)c1 1359129 FWBIICNMRVLRDK-UHFFFAOYSA-N 416.565 5.297 0 40 HKAB C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NC4CCCCC4)c23)C1 1377273 XIIAZZYKMVCRJS-CYBMUJFWSA-N 415.628 5.235 0 40 HKAB COc1ccc([C@H]2CC(=O)[C@H](C(=O)OC3CCCCC3)[C@@H]2c2ccc(OC)cc2)cc1 1557233 YHURCXIZSWWLLE-GPXOXTDOSA-N 422.521 5.036 0 40 HKAB CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccc(OC(C)C)cc1 1778799 MJEBOKQCIHQPAV-UHFFFAOYSA-N 419.308 6.249 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CC[C@H](C)C2 1904704 HPUKJCMCNNUFJX-JTQLQIEISA-N 412.338 5.609 0 40 HKAB CCc1ccccc1NC(=O)c1cc(-c2ccc(OC)cc2)nc2c(C)cc(C)cc12 2079773 ZHUYORVEKPGIEF-UHFFFAOYSA-N 410.517 6.342 0 40 HKAB O=C(NCc1cccnc1)c1cc2c([nH]c3ccccc32)c(-c2cccc(Cl)c2)n1 2116745 UXNDICPTUYSAJB-UHFFFAOYSA-N 412.880 5.362 0 40 HKAB biogenic C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1 2131923 BVVQZUQREMZOJT-CQSZACIVSA-N 402.277 6.192 0 40 HKAB Cc1ccc(-n2c(C)c3c(C)nn4c(C=O)c(-c5ccccc5)c(C=O)c4c3c2C)cc1 2194127 URANIPKSISSXSG-UHFFFAOYSA-N 421.500 5.804 0 40 HKAB COC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCCC2 2361441 OWKGRNBTBBSCSL-UHFFFAOYSA-N 419.955 5.924 0 40 HKAB CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C(C)C)cc1 2433899 WICMFDOUIUSENK-HSZRJFAPSA-N 419.521 5.277 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)sc(C)c1CC 2746615 FZXYCISMXULJAX-LBPRGKRZSA-N 409.935 5.163 0 40 HKAB Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)cc1C 3364257 MXUMOVGMNGGSSX-UHFFFAOYSA-N 409.942 6.149 0 40 HKAB O=C(CCCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 3369274 SHMVQUBOIWEEIQ-UHFFFAOYSA-N 411.530 5.961 0 40 HKAB COc1cc(C(=O)Nc2nc3c(C)cccc3s2)ccc1OCc1c(C)noc1C 3412530 ORPNJYZOZVWSLT-UHFFFAOYSA-N 423.494 5.049 0 40 HKAB CCC(=O)N(CC[C@H](c1ccc(C)cc1)c1ccco1)Cc1ccc(OC(C)C)cc1 4028857 HWMUEILJSOTNTQ-RUZDIDTESA-N 419.565 6.336 0 40 HKAB biogenic Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)c(C)c1 4033244 LBIBNBJQJNEFCC-QFIPXVFZSA-N 409.533 5.416 0 40 HKAB CCCCn1c([C@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21 4033382 PYUVHBVJAYMTLK-HNNXBMFYSA-N 412.331 5.119 0 40 HKAB CC[C@H]1C(=O)Nc2ccccc2N1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 4107612 PANGGJZAEJRLIT-AWEZNQCLSA-N 416.321 5.102 0 40 HKAB Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)c1 4349650 XOFVUVSNNPWJMU-UHFFFAOYSA-N 417.509 5.784 0 40 HKAB c1ccc(-c2nc(SCc3nnc(-c4ccco4)o3)oc2-c2ccccc2)cc1 4516571 BMYVMBUAQPYKED-UHFFFAOYSA-N 401.447 5.944 0 40 HKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OCc4ccccc4)c2)N3)C1 4571595 AOCLSSMMNJRLMN-NYHFZMIOSA-N 404.535 5.881 0 40 HKAB COc1cc(NC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)cc(OC)c1 4971338 IJLALJJQDCZHSR-UHFFFAOYSA-N 410.470 5.160 0 40 HKAB O=C(COc1ccc2ccccc2c1)Nc1nc(-c2cccc3ccccc23)cs1 5705191 RYVMLMRVDORHCH-UHFFFAOYSA-N 410.498 6.134 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3ccc(Cl)cc3)ccc21 6124000 YYDIDMRKZBQAGC-HNNXBMFYSA-N 408.954 6.587 0 40 HKAB FC(F)(F)c1cccc(Sc2nc(-c3ccccc3)nnc2C(F)(F)F)c1 6242849 NXNGUOBTYWUBGM-UHFFFAOYSA-N 401.335 5.727 0 40 HKAB CC(C)(C)c1ccc(OCCOc2cccc(-c3nc4ccccc4s3)c2)cc1 6323529 WHKRMPXJEDLGET-UHFFFAOYSA-N 403.547 6.719 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)/C=C/c4ccc(C(C)C)cc4)ccc3o2)c1 6424858 MLBGYLOHAWKURK-KPKJPENVSA-N 410.517 6.887 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)CSCc4ccccc4)cc3)sc2c1 6522019 MTIGEBPCJBYORQ-UHFFFAOYSA-N 404.560 6.144 0 40 HKAB O=C(Cc1csc(-c2cccc(Cl)c2)n1)NCCC12CC3CC(CC(C3)C1)C2 6851047 GPLCLLWVRBPINE-UHFFFAOYSA-N 415.002 5.729 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2ccc([C@@H](C)CC)cc2)sc2c1CCCC2 7079953 FHJQTTGKMNILAZ-HNNXBMFYSA-N 415.555 5.335 0 40 HKAB COc1ccc(N(CC(=O)c2ccc(-c3ccccc3)cc2)C2=NCCCCC2)cc1 7275532 KDYZTXUATIEPMG-UHFFFAOYSA-N 412.533 6.024 0 40 HKAB C[C@H](NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1)C12CC3CC(CC(C3)C1)C2 7524667 YDFGGRQTHPGSHO-NSDYXAQKSA-N 404.381 6.948 0 40 HKAB CCOc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1F 8254180 HNPCIYVMJDDHMJ-KRWDZBQOSA-N 413.920 6.308 0 40 HKAB COc1cc(CNCCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 8471668 ROCXFLDFBNUGRL-UHFFFAOYSA-N 416.348 5.913 0 40 HKAB COc1cc(CNCc2ccccc2Cl)ccc1OCc1cccc(Cl)c1 8471948 IFVUEOYGFQZONA-UHFFFAOYSA-N 402.321 5.871 0 40 HKAB COC(=O)Nc1nc(-c2ccccc2)c(-c2nccc(OCC(F)(F)F)c2C)s1 8715592 CSMKRYDVKMUHGM-UHFFFAOYSA-N 423.416 5.300 0 40 HKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc12)Nc1ccccc1Cl 8926549 KKLUGGGMABTDIC-UHFFFAOYSA-N 423.900 5.820 0 40 HKAB Cc1ccc(NC(=O)[C@@H]2CCCc3sc(NC(=O)c4ccccc4)nc32)c(C)c1 9072122 UTSQQPHMOJMKNX-QGZVFWFLSA-N 405.523 5.071 0 40 HKAB COc1cccc2sc(Nc3nc4ccc5nc(SC)sc5c4s3)nc12 9381959 DGFOFPDSMQAYON-UHFFFAOYSA-N 416.578 5.990 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](Nc1ccc2oc(C)nc2c1)c1ccccc1 9417617 KODOQDNWIPCZAU-HSZRJFAPSA-N 401.466 5.327 0 40 HKAB Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3c(C)cccc23)c1C 9581378 VJBGITDVJIXCJV-UHFFFAOYSA-N 424.500 5.623 0 40 HKAB COc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)cc1 9846245 AYLJPVDITSHPEO-UHFFFAOYSA-N 422.868 5.483 0 40 HKAB COc1ccc(-c2cc(C)nc(SCc3cc4c(cc3Cl)OCO4)n2)cc1 12139011 DYSYSXMACFEZAA-UHFFFAOYSA-N 400.887 5.135 0 40 HKAB CN(Cc1ccc(Cl)c(Cl)c1)Cc1nc(N)c2c3c(sc2n1)CCCC3 12569584 BWQQFMPYMKQMHF-UHFFFAOYSA-N 407.370 5.091 0 40 HKAB CCc1ccc2nc(NC(=O)C3C[C@@H]4CC[C@H](C3)C43SCCS3)sc2c1 12637331 WHADOJOIIGKMTG-GOOCMWNKSA-N 404.626 5.410 0 40 HKAB Fc1ccc(-c2nc(CSc3ncnc4c3cnn4-c3ccccc3)cs2)cc1 13128465 IVRCYILIHQKQAS-UHFFFAOYSA-N 419.510 5.370 0 40 HKAB COc1ccc(CN(Cc2ccncc2)Cc2ccnc3ccc(Cl)cc23)cc1 13570258 JKVUALKOEFCNAL-UHFFFAOYSA-N 403.913 5.494 0 40 HKAB CC1(C)C[C@@]2(CCO1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 13583094 YIVYQIXTTHHSIR-DENIHFKCSA-N 417.336 5.822 0 40 HKAB CSc1nsc(SCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1 13592961 LPDGDLSCEVECKC-UHFFFAOYSA-N 423.972 5.437 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2ccc(C)cc2)c1C 14405545 IJOBAAFFKVVHHK-UHFFFAOYSA-N 404.514 5.113 0 40 HKAB Cc1nc(COc2ccc(/C=C/C(=O)N[C@@H](C)c3ccc(F)c(F)c3)cc2)cs1 14420241 WCFWFCYRFKJROV-SEIPJRMCSA-N 414.477 5.199 0 40 HKAB Cc1oc2cc(OC(=O)[C@@H]3CC=CCC3)ccc2c(=O)c1-c1c(F)cccc1Cl 15317661 ZLHRLRBEHVIURF-CQSZACIVSA-N 412.844 5.823 0 40 HKAB O=C(NC1CCCCC1)N[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 15778742 GGTYURXEVHVAAI-LJQANCHMSA-N 410.905 5.111 0 40 HKAB COc1cccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)c(C(F)(F)F)nn23)c1 15840030 UBPVEJYBXALTLJ-UHFFFAOYSA-N 412.415 5.784 0 40 HKAB Cc1cc(OC[C@@H](O)Cn2c(COc3ccccc3)nc3ccccc32)ccc1Cl 15860758 LINSXUKQXXJSRJ-SFHVURJKSA-N 422.912 5.017 0 40 HKAB CCc1cc(I)ccc1NC(=O)c1ccc(Cl)c(Cl)c1 16161252 LNQQFMNHZRJQGB-UHFFFAOYSA-N 420.077 5.413 0 40 HKAB CCOC(=O)c1c(NC(=O)C2=Cc3ccccc3OC=C2)sc2c1CC[C@H](CC)C2 19809880 GDFYYJIELBGORL-HNNXBMFYSA-N 423.534 5.368 0 40 HKAB CCCCOc1ccccc1[C@H]1CC(=O)Nc2c1cc(Br)c1ccccc21 20851410 WOAOETWOLYYIQG-GOSISDBHSA-N 424.338 6.255 0 40 HKAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1cccc(C)c1C 21787435 MEELYMCDBOKAOW-QHCPKHFHSA-N 405.542 5.196 0 40 HKAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccc(N(C)C)cc4)nc32)cc1C 21801765 FAMSLVMULSEAQI-UHFFFAOYSA-N 410.525 5.035 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1 23477220 LJJCHBVTWGAIJH-MHZLTWQESA-N 423.560 5.218 0 40 HKAB Cc1ccc(-n2c(S[C@@H](C)c3nc(C(C)C)no3)nnc2-c2ccccc2)cc1C 27774955 CWAITFRYDPVRMP-KRWDZBQOSA-N 419.554 5.911 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(Cn4ccnc4C)cc3)ccc21 30945345 WARKXJFGUKHVIR-UHFFFAOYSA-N 408.505 5.620 0 40 HKAB C[C@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1Cl 32485686 WFPKGLHOIMUCLD-ZDUSSCGKSA-N 404.297 5.244 0 40 HKAB O=C1CSc2ccc(C(=O)Nc3ccc(-c4cc5ccccc5o4)cc3)cc2N1 32983173 JUBLEGFCMNGGTQ-UHFFFAOYSA-N 400.459 5.396 0 40 HKAB Clc1ccc(/C=C\c2nc3ccccc3nc2OCc2ccccc2)c(Cl)c1 36092281 BMDSKPMHAYPYNM-QBFSEMIESA-N 407.300 6.686 0 40 HKAB CC(=O)OC1=Cc2ccc3c(c2CC1)CC[C@@]1(C)[C@@H]3CC[C@H]1[C@H](C)CC[C@H](C)C(C)C 36371803 FUUPHHVMOSNLTD-XENJHGSLSA-N 422.653 7.691 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078973 HAPZCNCFUKXQLH-UHFFFAOYSA-N 408.860 5.324 0 40 HKAB COc1ccc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c(OC)c1 60387333 AJINORZKMXYNCZ-UHFFFAOYSA-N 416.713 6.131 0 40 HKAB CCC1CCC(N(C(=O)[C@H](C)c2c(C)noc2C)[C@@H](C)c2ccc(F)cc2)CC1 72283491 ZKCXFQKVLPUVPF-IUJGPBQQSA-N 400.538 6.093 0 40 HKAB CN(C)c1cc(C(F)(F)F)cc(-c2cccc(NC(=O)c3ccc(Cl)cc3)c2)n1 91695492 HZERSPJDGQDQOY-UHFFFAOYSA-N 419.834 5.739 0 40 HKAB O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)[C@@H]1C[C@H]2C=C[C@H]1C2 102315486 RIQCNAFELUOENU-GARJFASQSA-N 412.367 5.288 0 40 HKAB CCOc1ccccc1N/C=C1/C(=O)N(c2ccc(C)c(C)c2)C(=O)c2ccccc21 103004406 WIMFVKWHNBEOOQ-CJLVFECKSA-N 412.489 5.342 0 40 HKAB Cc1cc(C)c(C)c(OCC(=O)NCCSCc2ccc(Cl)cc2Cl)c1 218965380 FDKJPZHBUNERTK-UHFFFAOYSA-N 412.382 5.347 0 40 HKAB COC(=O)c1cn(C(=O)c2ccc(CSc3ccccc3)cc2)c2ccccc12 222569877 YNPGUBKVLDLJOB-UHFFFAOYSA-N 401.487 5.409 0 40 HKAB CC1(C)C[C@H](NC(=O)CSCc2ccc(Cl)c(Cl)c2)c2ccccc2O1 222731066 GGCZSKXQRCLJBH-KRWDZBQOSA-N 410.366 5.645 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 223032488 PPIFXDFZZXTFSJ-UXHICEINSA-N 417.933 5.233 0 40 HKAB Cc1ccc(C)c([C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1 223164282 LACIPHYBMFBBQL-CEZZIEKDSA-N 404.535 5.013 0 40 HKAB O=C(CSCc1cccc(Cl)c1)Nc1nnc(-c2ccc(Cl)cc2)s1 224162775 YJWMSHPOZSTFGT-UHFFFAOYSA-N 410.351 5.384 0 40 HKAB CCOc1ccccc1NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224886946 LFGHHDZCNSHTDV-UHFFFAOYSA-N 415.287 5.074 0 40 HKAB CC(C)Sc1nnc(NC(=O)CSCc2c(Cl)cccc2Cl)s1 225300812 MQQBEZYDSWDYEE-UHFFFAOYSA-N 408.401 5.217 0 40 HKAB O=C(c1ccc(-c2ccccc2)cc1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 408612491 WFHDDWCOJKGGQK-UHFFFAOYSA-N 424.588 5.872 0 40 HKAB Cc1cccc(C2=N/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C(=O)O2)c1 409070805 GXHQTXZFYSCHAF-HYARGMPZSA-N 403.865 5.572 0 40 HKAB Cc1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(F)cc2)c1 409104729 HSBKCDFBAOWGGA-UHFFFAOYSA-N 409.917 6.328 0 40 HKAB COc1ccccc1OCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 409180037 VOPWWHLRVOOIQW-UHFFFAOYSA-N 401.384 5.545 0 40 HKAB O=C(COc1ccc(CNc2ccccc2)cc1Cl)Nc1ccccc1Cl 409379724 YQOGIBJXUKFHNO-UHFFFAOYSA-N 401.293 5.623 0 40 HKAB Cn1c(C(=O)N2CCC3(CC2)CN(c2ccccc2)c2ccccc23)cc2ccccc21 2055745527 HJOFZWAQYPIPQN-UHFFFAOYSA-N 421.544 5.504 0 40 HKAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)Nc3ccccc3Cl)C3CCCC3)cc2c1 1371393 FATGJQGOXALZHI-UHFFFAOYSA-N 423.944 5.775 0 40 HKAB COc1ccc(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 1815142 HSRQZYGLYUUTBP-UHFFFAOYSA-N 420.896 5.195 0 40 HKAB O=c1oc(-c2cccc3ccccc23)nc2sc3c(c12)CCCCCCCCCC3 2060402 HWDHAWBBMMACHG-UHFFFAOYSA-N 417.574 7.289 0 40 HKAB CC(C)c1ccc(-c2cc(C(=O)OCC(=O)c3ccccc3)c3ccccc3n2)cc1 2079391 QLRZKCDSWMKLIL-UHFFFAOYSA-N 409.485 6.065 0 40 HKAB CC(C)c1ccc(OCc2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 2107894 DIPHXPRDCHRVNQ-UHFFFAOYSA-N 414.332 6.948 0 40 HKAB CC(C)(C)c1ccc(OC(=O)COc2ccc3ccccc3c2Br)cc1 2134630 SMOBQNJVWHYENO-UHFFFAOYSA-N 413.311 5.884 0 40 HKAB CCN(CC)c1ccc2cc(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)oc2c1 2206924 ZCPNDBVOLDBZLO-UHFFFAOYSA-N 410.926 6.083 0 40 HKAB Brc1ccc(CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 2348813 SKJUHSHXGYTLID-UHFFFAOYSA-N 416.300 5.234 0 40 HKAB O=C(CCOc1ccccc1)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 2663477 MHCODKCDRNJMQV-NRFANRHFSA-N 418.924 5.539 0 40 HKAB CCCCc1ccc(NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)cc1 2736704 BEDPCCVQZZNZSB-UHFFFAOYSA-N 408.545 7.114 0 40 HKAB O=C(c1cccc(C(F)(F)F)c1)n1cc(-c2ncc(C(F)(F)F)cc2Cl)cn1 3133256 ZESBRGDBVKVZRD-UHFFFAOYSA-N 419.712 5.325 0 40 HKAB CC(C)c1ccc(Nc2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)s2)cc1 3232788 WQOLAMCWWGBUKO-GJZGRUSLSA-N 404.605 5.287 0 40 HKAB CSc1nc2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2s1 3376853 ZEJHJCWNGMWACN-UHFFFAOYSA-N 405.353 5.126 0 40 HKAB aggregator COc1ccc(C(=O)N(Cc2cccnc2)c2nc3cc(C)c(C)cc3s2)cc1 4304979 KRHGBBYTOKNKTE-UHFFFAOYSA-N 403.507 5.164 0 40 HKAB CCC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccc(Oc2ccccc2)cc1 4601177 JQADKVSEOSHBNX-UHFFFAOYSA-N 409.595 6.881 0 40 HKAB COc1ccc(NC(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1 4671237 NAWOOQGBGAZNIP-UHFFFAOYSA-N 401.491 6.130 0 40 HKAB Clc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccc4ccccc34)=NN21 4863153 XHSREDLMCWSPAJ-AZGAKELHSA-N 410.904 6.736 0 40 HKAB C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1cccc(F)c1)C(=O)N2c1ccccc1 4922344 RQVBZJYVFXXBFL-RDPSFJRHSA-N 402.425 5.148 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]5CCCC[C@]5(C(C)=O)[C@@]4(C)CC[C@H]32)C1 5383463 HONOKMUVEQPOAM-VANMJNHGSA-N 412.614 6.256 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1 5588118 OEYUNSKMGJCQQK-UHFFFAOYSA-N 405.454 5.069 0 40 HKAB Brc1ccc(-c2csc(Sc3nc4ccccc4s3)n2)cc1 5605089 OKTMUQKZYZRZNQ-UHFFFAOYSA-N 405.367 6.334 0 40 HKAB CCn1c(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1C1CC1 7618198 RLDBVOOSVRDQJB-OAHLLOKOSA-N 408.527 5.087 0 40 HKAB O=C(Cc1csc(-c2ccccc2)n1)Nc1nc(-c2ccc(Cl)cc2)cs1 7995744 VHEFGWTVCHXESC-UHFFFAOYSA-N 411.939 5.768 0 40 HKAB COC(=O)c1cc(-c2cc3ccccc3o2)nc2onc(-c3ccc(Cl)cc3)c12 7996987 DOAJTJMDSLNTKU-UHFFFAOYSA-N 404.809 5.743 0 40 HKAB O=C(c1c(-n2cccc2)sc2c1CCSC2)N1CC=C(c2ccccc2)CC1 8312270 DFVSFSRSCWIRTG-UHFFFAOYSA-N 406.576 5.258 0 40 HKAB Cc1ccc2cccc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)c2n1 8606786 SKMYGHLIFXONLO-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB CC1CCN([C@@H](CNC(=O)N(C)[C@H](C)c2ccc(F)cc2)c2cccs2)CC1 9501750 HJBZOFXDMRKDTR-XLIONFOSSA-N 403.567 5.063 0 40 HKAB CN(CC(=O)Nc1ccccc1Oc1ccccc1)Cc1nc2ccccc2s1 9535074 OTVIZTVLVDBPGX-UHFFFAOYSA-N 403.507 5.159 0 40 HKAB O=C(CSc1ncn(-c2ccccc2)n1)N1c2ccccc2Sc2ccccc21 10672010 KJBPGVWBFKZYFX-UHFFFAOYSA-N 416.531 5.189 0 40 HKAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1SCC(F)(F)F 13008924 HOMLPEOJSODCFL-UHFFFAOYSA-N 414.499 5.707 0 40 HKAB COc1cccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c1 13946078 WAOVBKJRSKFOTL-UHFFFAOYSA-N 413.260 6.063 0 40 HKAB COc1ccc(C(C)(C)C)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 14771838 UOZSJQYOVQAXAI-UHFFFAOYSA-N 414.452 5.497 0 40 HKAB O=C1N[C@H](Nc2cccc(Cl)c2Cl)S/C1=C/c1cccn1-c1ccccc1 16524002 DAZXSKMLLUKLGS-KZFLWGQDSA-N 416.333 5.384 0 40 HKAB Cc1cc(C)c2nc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)sc2c1 17090976 ULUURFBKRSVZFK-UHFFFAOYSA-N 417.317 6.732 0 40 HKAB CCCCc1ccc(NC(=O)Cc2csc(NC(=O)NC3CCCCC3)n2)cc1 17271268 GMCSEOVBTYSJAT-UHFFFAOYSA-N 414.575 5.121 0 40 HKAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1c1n[nH]cc1-c1ccncc1 19292817 KFVOVDWTJKAZAQ-IBGZPJMESA-N 415.324 5.075 0 40 HKAB CC1CCN(C(=O)c2cc([C@@H]3CCCN(Cc4cccc5ccccc45)C3)no2)CC1 19496756 RHVZPOJLKWDWQJ-JOCHJYFZSA-N 417.553 5.080 0 40 HKAB COc1ccc(-c2ccccc2NC(=O)c2cc(-n3cccn3)ccc2Cl)cc1 19665018 ZUJBYJHSRDVJLJ-UHFFFAOYSA-N 403.869 5.454 0 40 HKAB CC[C@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 20611151 XOYNFKAZESPMAA-INIZCTEOSA-N 418.472 5.298 0 40 HKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 22512030 IFDJSFKQFTXUQO-GOSISDBHSA-N 409.913 6.464 0 40 HKAB Cc1nc(-c2c(-c3c(C)cc(OCc4ccc(F)cc4)cc3O)n[nH]c2C)cs1 28462456 SKPYJHUBWVTXHL-UHFFFAOYSA-N 409.486 5.549 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)c(Cl)c1 32578652 RROMRUNSNJKKNC-UHFFFAOYSA-N 419.868 5.530 0 40 HKAB Cc1cc(C)c(NC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)c(Cl)c1 32747489 PCULEVWUUQFYJZ-UHFFFAOYSA-N 409.917 5.036 0 40 HKAB CC(=O)Nc1ncc(-c2ccc(Oc3ncnc4c3oc3ccccc34)cc2)s1 32916233 UQCNDHWFNVCJLH-UHFFFAOYSA-N 402.435 5.250 0 40 HKAB O=c1c2ccccc2nc(SCCOc2ccc(Cl)cc2)n1-c1ccccc1 33765046 IDFOYKAIEWWZCK-UHFFFAOYSA-N 408.910 5.210 0 40 HKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 33771313 NBEXIMCGPGUZSP-UHFFFAOYSA-N 420.509 5.032 0 40 HKAB Cc1ccc(NC(=O)Nc2ccc(Nc3cc(-n4cccn4)ncn3)cc2)c(Cl)c1 35597392 ZRDYONKWTSEECF-UHFFFAOYSA-N 419.876 5.012 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(O)=Nc2c(-c3ccccc3)cnn21 35684666 DGPKKSHCSHONBP-INIZCTEOSA-N 401.253 5.028 0 40 HKAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc(-c3ccccc3)o1)CC(O)=N2 36357803 YVYJYHJDKHEQHZ-CQSZACIVSA-N 405.845 5.008 0 40 HKAB Oc1nc(/C(Cl)=C\c2ccc(OCc3ccccn3)cc2)nc2ccc(Cl)cc12 40139811 SZDOREYELPCHDY-YBFXNURJSA-N 424.287 5.700 0 40 HKAB Brc1ccc(-c2cnc(SC3CCCC3)n2Cc2ccco2)cc1 44085412 XJSCLKIDIXSSJB-UHFFFAOYSA-N 403.345 5.989 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCCc1ccccc1Cl 44883192 YPTGJNHTRCNOHA-UHFFFAOYSA-N 402.774 5.629 0 40 HKAB O=C(Nc1ccccc1)c1ccc(CN(Cc2cccs2)C[C@@H]2CCCO2)cc1 57273680 FOOBTUKRBSHMKG-QFIPXVFZSA-N 406.551 5.182 0 40 HKAB CC(C)(C)OC(=O)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3ccccn3)n2)C1 57774702 UEHQDCVIJCLGBP-KRWDZBQOSA-N 417.513 5.007 0 40 HKAB CCC(CC)(NC(=O)Nc1ccc(N2CCOCC2)cc1C)c1ccc(Cl)cc1 65622820 SRYNFOFXNSMBNI-UHFFFAOYSA-N 415.965 5.322 0 40 HKAB Cc1ccc(Cc2cccc([C@H]3CCCN3C(=O)Cc3c[nH]c4ccccc34)n2)cc1 72358017 QNPSUKPBBFEZMV-AREMUKBSSA-N 409.533 5.368 0 40 HKAB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(O)=C2[C@@H]1c1ccco1 102587734 AQDGLCZMSHGLTI-MYYSRTQBSA-N 402.450 5.833 0 40 HKAB Cc1ccc(Cn2cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c3ccccc32)cc1 208689993 TXHIPIRQAXLYHM-IWIPYMOSSA-N 424.525 6.239 0 40 HKAB COc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC(C)C 222573761 QPWATDBZBYZVIB-BKTGTZMESA-N 417.962 5.120 0 40 HKAB C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc2c(c1)CCC2 223258836 GASMOXNBJAEYQU-INIZCTEOSA-N 414.952 5.057 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 223730173 MGMOBBVBSSESQR-IBGZPJMESA-N 403.507 5.463 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(SCC(C)C)s1 224480834 RMXOPEIGKYTUBD-INIZCTEOSA-N 407.605 5.380 0 40 HKAB CCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1CSc1ccccc1 224649952 PKNBFYICGNFZFW-UHFFFAOYSA-N 421.562 5.359 0 40 HKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 225129077 POHRTYSYHLEOHV-VWLOTQADSA-N 420.597 5.102 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2ccccc12 225685788 NYDLAPJCUWROFM-UHFFFAOYSA-N 421.968 7.123 0 40 HKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225695941 IHIKEDNLCNQEBP-UHFFFAOYSA-N 406.611 5.213 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C(F)(F)F 225753218 XNIKTPGVNUELDV-UHFFFAOYSA-N 407.432 5.563 0 40 HKAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C 225790060 KKVHBALGQMTUEE-CYBMUJFWSA-N 416.896 5.730 0 40 HKAB O=C(O)c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226339691 YAHGNHVYGWQQCP-UHFFFAOYSA-N 410.478 5.687 0 40 HKAB CCOc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 227486487 FKFCBITVXQBREZ-MBSDFSHPSA-N 420.490 5.118 0 40 HKAB O=C(c1ccc2ccccc2n1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257225183 FFFAXTOZORSASL-QFIPXVFZSA-N 417.896 5.444 0 40 HKAB Cc1ccc(CN(C(=O)COc2c(F)cccc2C(=O)O)[C@H](C)c2ccccc2)cc1 257263596 LQRWEAWVKOQEFB-GOSISDBHSA-N 421.468 5.001 0 40 HKAB O=C(CSCc1cccc(Cl)c1)Nc1ccccc1C(=O)NCc1ccccc1 409024647 MAECJIADBSNHFF-UHFFFAOYSA-N 424.953 5.142 0 40 HKAB COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)ccc1OCc1ccc(Cl)cc1 409055178 DFCIVELHDDNLHG-ODLFYWEKSA-N 417.914 5.372 0 40 HKAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc(Cl)c1O 409061786 IAJWQYDADCIUTD-DHDCSXOGSA-N 410.278 5.339 0 40 HKAB Cc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccc(Cl)cc2)cc1C 409099448 NNJNCFAVGYDGHJ-UHFFFAOYSA-N 423.944 6.636 0 40 HKAB CCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)ccc1OCc1ccc(C)cc1 409110256 AHWRCAASKBJEQA-KQWNVCNZSA-N 413.517 5.880 0 40 HKAB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc(F)c3)n2C)cc1 409204639 CEMJENKOMVRMDO-LCUIJRPUSA-N 418.493 5.309 0 40 HKAB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(C)cc3Cl)n2C)cc1 409205165 NZHIEAFTXOPRES-LNVKXUELSA-N 400.931 5.164 0 40 HKAB CCn1c(COc2ccc(C)cc2OC)nnc1SCc1ccccc1Cl 409333375 SDXPYDVILSBUEP-UHFFFAOYSA-N 403.935 5.140 0 40 HKAB Cc1cc(OCC(=O)O)c(-c2cc(-c3ccc(F)cc3)n(CC(C)C)n2)cc1Cl 2037872911 YAJACWILUSGWQP-UHFFFAOYSA-N 416.880 5.437 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4cccc(Cl)c4C)sc3n2)c1 661181 LJLLEEUHTVGFFK-UHFFFAOYSA-N 423.925 5.768 0 40 HKAB O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1cccc2ccccc12 801800 ZHOWRENNJNCEAW-UHFFFAOYSA-N 419.484 5.246 0 40 HKAB COc1ccc([C@@H]2NCCc3c2[nH]c2ccccc32)cc1COc1ccccc1F 1322780 XLCLUPYUHIBXRE-DEOSSOPVSA-N 402.469 5.130 0 40 HKAB biogenic O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccccc1Br 1732170 AHVBKDPGQVXFIC-UHFFFAOYSA-N 409.494 5.427 0 40 HKAB CN(C)C(=O)Nc1cccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)c1 1757470 XSWFKKUCOCGKNE-UHFFFAOYSA-N 412.382 5.425 0 40 HKAB Cc1cc(OCc2ccc(Br)cc2)c2c(-c3ccccc3)cc(=O)oc2c1 1797548 UNIYNNOVCSNBSR-UHFFFAOYSA-N 421.290 6.110 0 40 HKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 2069643 WBMBEUGQQUWRQT-SFHVURJKSA-N 419.952 6.512 0 40 HKAB Cc1ccc(-c2ccc(OC(=O)c3ccc(COc4cccc(C)c4)cc3)cc2)cc1 2079665 YHIXLYHLPDPRHZ-UHFFFAOYSA-N 408.497 6.769 0 40 HKAB CSc1nc(Sc2ccc(Cl)cc2)cc(Sc2ccc(Cl)cc2)n1 2171504 ULZVATKSWVKEMN-UHFFFAOYSA-N 411.404 6.808 0 40 HKAB CC(C)Cc1nc2oc3c(NCc4ccco4)ncnc3c2c2c1COC(C)(C)C2 2204752 DEGAWIXDXDLYLY-UHFFFAOYSA-N 406.486 5.026 0 40 HKAB Fc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc4c(cc32)OCO4)cc1 2688855 NOGAWLNAJQNUSQ-UHFFFAOYSA-N 415.399 5.258 0 40 HKAB CC[C@@H]1CCc2c(sc(NC(=O)[C@H](C)Oc3cccc(Cl)c3)c2C(=O)OC)C1 2741498 HRWAIWNOBGIIAH-QWHCGFSZSA-N 421.946 5.109 0 40 HKAB O=C(COc1ccccc1)Nc1nc(-c2ccc(Sc3ccccc3)cc2)cs1 3198016 OVPHQJLWJVFOHJ-UHFFFAOYSA-N 418.543 5.979 0 40 HKAB O=C(CSc1cccc2cccc(Cl)c12)Nc1ccc(N2CCOCC2)cc1 3343675 HQJOUULMVUXVNK-UHFFFAOYSA-N 412.942 5.061 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2ccc(F)c(F)c2)cc1 3450607 BGJNAFGJESSRTE-SDNWHVSQSA-N 415.443 5.778 0 40 HKAB CCC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)Cc1ccccc1 4043420 ZDBBRQSWYMQDPX-BDYUSTAISA-N 407.598 5.897 0 40 HKAB biogenic Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 4663888 NSZCKUSOKRLPDV-UHFFFAOYSA-N 413.521 5.853 0 40 HKAB Clc1ccc(-c2nnc3n2N=C(c2ccc(-c4ccccc4)cc2)CS3)cc1 4665083 XMFBSJGMRWRQTB-UHFFFAOYSA-N 402.910 5.624 0 40 HKAB Cc1c(C(=O)O[C@H]2CCC[C@H]2C)[nH]c2c1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 4910968 MDEIQOJLELEDEK-QRFQSNJMSA-N 407.554 5.879 0 40 HKAB CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CC[C@@H](c4ccccc4)C[C@@H]32)C(=O)C1 4914215 ASFIVQACLZMLMF-XMSQKQJNSA-N 421.968 5.593 0 40 HKAB CCOc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(F)cc23)cc1 4970346 PRFNRFKDQLFRPE-UHFFFAOYSA-N 401.416 5.918 0 40 HKAB CCCCCCOC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 5030833 BQIWKODNKCDOKX-UHFFFAOYSA-N 416.525 5.510 0 40 HKAB CCOc1ccc(C(=O)Nc2sc(C)c(C)c2-c2nc3ccccc3s2)cc1 5255682 DMDOBIMOOMCCTL-UHFFFAOYSA-N 408.548 6.293 0 40 HKAB O=C(Nc1sc2ccccc2c(=O)c1-c1cccc2ccccc12)c1cccs1 5352306 SHDUPWWHIQRXNS-UHFFFAOYSA-N 413.523 6.396 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)sc2c1 5547836 JZGUCXJKUVPQLN-UHFFFAOYSA-N 408.910 5.943 0 40 HKAB COc1ccc(CNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccc(C)cc3)n2)cc1 6088056 UPMDYIZEYZYSAR-UHFFFAOYSA-N 421.500 5.630 0 40 HKAB biogenic COc1cc(CNc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 6967697 KMPLUOXRDWGYNT-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB CC[C@@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 7929485 SNRBUVLBKNJDMU-ZIAGYGMSSA-N 406.309 5.465 0 40 HKAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O 8361852 JODURBTZKKBAKN-ZRFOIIEFSA-N 423.516 5.279 0 40 HKAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccc2c(c1)OC1(CCCC1)O2 8429747 QCFJMMYUIUTNRA-UHFFFAOYSA-N 410.470 5.172 0 40 HKAB O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)c1cccc2ccccc12 9037263 OTBFIMLIURLTCU-UHFFFAOYSA-N 412.514 5.352 0 40 HKAB CC1=CC(C)(C)N(C(=O)CSc2nnc(-c3ccccc3)o2)c2c(C)cccc21 9938111 ZDPZVGMVDTXNKJ-UHFFFAOYSA-N 405.523 5.366 0 40 HKAB CSc1cccc(C(=O)N(C[C@H]2CCCO2)c2nc3c(C)ccc(C)c3s2)c1 11143345 GZGXGLKNQPDMRE-QGZVFWFLSA-N 412.580 5.461 0 40 HKAB CCOC(=O)c1cc(CSc2nc3cc(Cl)c4cccnc4c3o2)c(C)o1 12410678 RULGISDJXXGLFL-UHFFFAOYSA-N 402.859 5.400 0 40 HKAB CCCCN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccc(C)cc2)c2ccccc21 12420100 SQAXVLMWOCCYKI-SANMLTNESA-N 411.505 5.067 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1OCC 12624315 AMRYNYQSMNKSRA-UHFFFAOYSA-N 419.565 6.204 0 40 HKAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 12914070 DGQJFXBZULVETP-QGZVFWFLSA-N 413.477 5.212 0 40 HKAB O=C(Nc1cc(-c2ccccc2F)nn1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 13370385 ZKBHPPCLBRXLKB-UHFFFAOYSA-N 415.512 5.833 0 40 HKAB Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c1 13646208 FKVRWIJJSHWDJH-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 13946050 SRIYPBZOYWUGQN-UHFFFAOYSA-N 422.937 6.413 0 40 HKAB Cc1cccc(C)c1N1C(=O)c2ccccc2N[C@@H]1c1ccc2oc3ccccc3c2c1 15106002 MAWXOHPQMSJMDJ-MHZLTWQESA-N 418.496 6.974 0 40 HKAB Clc1ccc(COc2ccc(Br)cc2CNCc2cccs2)cc1 16430624 VARNFXXYNXIXDX-UHFFFAOYSA-N 422.775 6.033 0 40 HKAB CCOc1c(Br)cc(Br)cc1CNCc1ccc(F)cc1 16688080 SGWNVJBWKXWCPD-UHFFFAOYSA-N 417.116 5.039 0 40 HKAB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)c2ccoc2C)cs1 17276733 DBQXISLDWORKLX-UHFFFAOYSA-N 424.400 5.105 0 40 HKAB COc1ccc(CN(Cc2ccncc2)[C@H]2CCC[C@@H]2Cc2cc(C)no2)c(C)c1C 19120691 ACAYUQQEWXSDTB-RDGATRHJSA-N 419.569 5.417 0 40 HKAB CCN(CC)CCN[C@@H](Cc1ccccc1)c1ccc(OCc2ccccc2)cc1 19366356 ZPOYFNXJMYZMJI-MHZLTWQESA-N 402.582 5.481 0 40 HKAB COc1cccc(C(=O)N2CCc3nc(-c4ccc(C(F)(F)F)cc4)sc3C2)c1 19719748 SYKZSVRNTBPPPT-UHFFFAOYSA-N 418.440 5.036 0 40 HKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(OC(C)C)cc1 23055406 DSYPERJXYDISHM-UHFFFAOYSA-N 413.905 5.230 0 40 HKAB O=C(CSc1ncnc2ccsc12)N1c2ccccc2CCc2ccccc21 25584489 XDKDIKONOPDDIV-UHFFFAOYSA-N 403.532 5.247 0 40 HKAB O=c1cc(C(F)(F)F)c2ccc(OCc3coc(-c4cccc(F)c4)n3)cc2o1 26777194 CSGIZQSDXAFKNR-UHFFFAOYSA-N 405.303 5.185 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)Cc1ccc(-n2cccn2)cc1 27543291 OEUJIARPJQZLPW-UHFFFAOYSA-N 419.960 5.019 0 40 HKAB COc1ccccc1Cn1cnc2c3cc(C)ccc3n(Cc3ccc(C)cc3)c2c1=O 35400681 UFPAJONOLBKANI-UHFFFAOYSA-N 423.516 5.073 0 40 HKAB Cc1ncc(NC(=O)c2cc3ccccc3o2)n1-c1nc(-c2cccs2)cs1 35682739 AZUBWZHNDDPVLI-UHFFFAOYSA-N 406.492 5.364 0 40 HKAB COc1ccccc1Nc1nc2sc(C(=O)N(C)Cc3ccc(C)o3)cc2s1 36395267 GQUIDPJLCATFPU-UHFFFAOYSA-N 413.524 5.284 0 40 HKAB Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c2c(C)nn(-c3ccccc3)c2n1 36611695 GCEFCXPKKWJSRN-UHFFFAOYSA-N 411.292 5.596 0 40 HKAB Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2c(C)nn(-c3ccc(F)cc3)c2n1 36616552 IWAUNDCGWBKZKI-UHFFFAOYSA-N 412.827 5.221 0 40 HKAB Cc1ncc(NC(=O)CCc2ccccc2)n1-c1nc(-c2ccc(Cl)cc2)cs1 41124316 FZYPORSGSRUIRG-UHFFFAOYSA-N 422.941 5.529 0 40 HKAB Cc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2-c2ccc(F)cc2)cc1 44087085 KERXQNLPDXZVPL-UHFFFAOYSA-N 417.509 5.718 0 40 HKAB Nc1c(C(=O)c2ccc(Cl)s2)sc2nc(-c3cccnc3)cc(C(F)F)c12 44918803 HBYAXOCJEGRPTE-UHFFFAOYSA-N 421.881 5.824 0 40 HKAB CSc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 46078615 YFRNUGFPHWZYNK-UHFFFAOYSA-N 416.546 5.562 0 40 HKAB O=C([C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)N1CC=C(c2ccccc2)CC1 48302113 SWFDNYJGTUXKNF-SFTDATJTSA-N 400.547 5.662 0 40 HKAB COc1ccc(NC(=O)c2csc(-c3ccco3)n2)cc1NC(=O)OC(C)(C)C 48325754 ZNEGUUOWJDNUNG-UHFFFAOYSA-N 415.471 5.011 0 40 HKAB COc1ccc(NC(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)cc1Cl 79073053 GLQCGCUEXDOKRQ-UHFFFAOYSA-N 406.269 5.287 0 40 HKAB O=C(CCc1ccccc1Br)N(CCc1cccs1)Cc1ccco1 96120278 PELGHGGRTBYEKJ-UHFFFAOYSA-N 418.356 5.308 0 40 HKAB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CC)CC[C@]4(C)[C@H]3CC[C@]12C 118918401 ZDDFOEZPFDWEQS-KPERJPBUSA-N 402.575 5.593 0 40 HKAB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccccc1 169537091 DNSLOEAIBOMUHM-LIOHBJMPSA-N 403.481 5.110 0 40 HKAB O=C(COC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc(Cl)c(Cl)c1 215694856 ABCCZVXERSIWGA-UHFFFAOYSA-N 400.261 5.459 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)cc1 216311078 OWJXTFOAUGBLAQ-SFHVURJKSA-N 414.423 5.914 0 40 HKAB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)c2ccccc2C(=O)N1CCc1ccccc1 222376679 HAEXOBPWGGEESP-ZHZULCJRSA-N 422.311 5.759 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc2O1 223154377 VOQTYRLTGAZKMF-XMSQKQJNSA-N 409.570 5.950 0 40 HKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(CC)cc1 223647311 XLDVILAGBKVLLI-VWLOTQADSA-N 422.613 5.214 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccc(C)cc1 224123458 NKTPPQSGDVIQPN-UHFFFAOYSA-N 415.411 5.854 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccccc1C 224378529 UECFAHNJTAVDNS-UHFFFAOYSA-N 403.522 6.150 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccc(C(C)(C)C)cc1 224519636 MGMWOGOWTROINM-UHFFFAOYSA-N 417.549 6.523 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1cccc(OC)c1 224586708 LPTXYMDFTUMVFG-UHFFFAOYSA-N 405.494 5.488 0 40 HKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(CSc2ccccc2)cc1 224854968 BOYWXCHSVJWYQD-UHFFFAOYSA-N 403.425 6.130 0 40 HKAB O=C(O)[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1ccc2ccccc2c1 225134582 STEARFFISPNOHM-XMMPIXPASA-N 418.876 6.360 0 40 HKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225485374 JDXLCASORSLUEE-OFVILXPXSA-N 422.613 5.465 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCCCCC4)cc3)CCCC2)c1 225509970 GJIOVKBRSRUPOJ-UHFFFAOYSA-N 420.597 5.700 0 40 HKAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 225743456 YLTCXSIXCUFICP-QGZVFWFLSA-N 417.399 5.184 0 40 HKAB CC(C)C1(NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)CCCC1 225865846 LZWNIKFXXONQSG-UHFFFAOYSA-N 422.638 6.470 0 40 HKAB O=C(c1ccccc1-c1ccccc1)N1CCOC[C@H](Cc2ccc3cnccc3c2)C1 257327898 XDFTYJQYLTVEKE-JOCHJYFZSA-N 422.528 5.233 0 40 HKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCc3ccccc3)n2)cc1OC 408548447 RTYJAKPKJQSHKT-UHFFFAOYSA-N 406.429 5.472 0 40 HKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(F)cc3)n2)cc1 408693602 ATRSWRCGHNLGDK-UHFFFAOYSA-N 416.456 5.033 0 40 HKAB CCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1 408733431 JEYUWSYOHSBAHM-HSZRJFAPSA-N 406.913 6.290 0 40 HKAB O=C(COc1ccc(C(=S)N2CCCCC2)cc1)Nc1ccc(Cl)cc1Cl 409227847 RWWQPTRCYFCVLE-UHFFFAOYSA-N 423.365 5.172 0 40 HKAB Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N3CCC[C@H](C)C3)c12 606344892 VKRRBHLTEWKEOD-LBPRGKRZSA-N 403.404 5.089 0 40 HKAB Cc1cccc(CN2CCOCCOc3ccc(F)cc3Cc3cccc(c3)C2)c1 643563039 GYSZXIPWOWFVMI-UHFFFAOYSA-N 405.513 5.136 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(Cl)c(Cl)c1 854702 WZGGUIXYOGKQDG-UHFFFAOYSA-N 416.091 6.516 0 40 HKAB CCOc1cc(C)c(-c2nn(Cc3ccccc3)cc2-c2ncc(C)s2)c(O)c1 946865 TXLWWWIHZMTMIY-UHFFFAOYSA-N 405.523 5.443 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NC[C@@H]4CCCO4)ncnc32)cc1Cl 1447560 WPUCXKPMLXSVMB-IBGZPJMESA-N 418.928 5.640 0 40 HKAB Cc1cccc(Cl)c1NC(=O)c1ccc(C(=O)Nc2c(C)cccc2Cl)cc1 1738746 JNALQSKSTZKCNL-UHFFFAOYSA-N 413.304 6.115 0 40 HKAB Cc1ccc(COc2cccc(/C=C3\N=C(c4ccccc4Cl)OC3=O)c2)cc1 2084255 BFXKWBIKSTWHPN-HMAPJEAMSA-N 403.865 5.572 0 40 HKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)Nc1cccc(Cl)c1 2260671 QHXPLZAMNVJADH-VWLOTQADSA-N 404.941 6.867 0 40 HKAB CCN(CC)P1(=O)Oc2ccc3ccccc3c2Cc2c(ccc3ccccc23)O1 2566837 QNFBZTJBASLJCH-UHFFFAOYSA-N 417.445 6.805 0 40 HKAB COC(=O)c1ccccc1SCc1ccccc1Sc1ccc(Cl)cc1 3104408 NIGHUMPEUCXAOC-UHFFFAOYSA-N 400.952 6.570 0 40 HKAB ClC1=C(Cl)[C@@]2(Cl)C(c3ccccc3)=C(c3ccccc3)[C@@H]1C2(Cl)Cl 3127966 JMLMIYNEEGMNER-YJBOKZPZSA-N 416.562 7.082 0 40 HKAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 3164398 VCKJZKKNXKLZLY-OAHLLOKOSA-N 410.489 6.336 0 40 HKAB Nc1ccccc1S[C@@H](CC(=O)c1ccccc1)c1c(Cl)cccc1Cl 3180650 OENCHEBBVZSWKN-FQEVSTJZSA-N 402.346 6.682 0 40 HKAB COC(=O)c1c(-c2c(F)cccc2Cl)noc1/C=C/Nc1ccc(Cl)cc1 3189932 UDMYGPIXYJINMQ-MDZDMXLPSA-N 407.228 5.657 0 40 HKAB Cc1ccc(C(=O)[C@H](OC(=O)c2cc(=O)c3ccccc3o2)c2ccc(C)cc2)cc1 3316534 GHZFNGCQXQFFEL-RUZDIDTESA-N 412.441 5.191 0 40 HKAB Cc1ccc(C)c(-c2nc(NC(=O)c3ccccc3Br)sc2C)c1 3459226 OAIZTWBDHIGZBC-UHFFFAOYSA-N 401.329 5.750 0 40 HKAB COc1cccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1F 4222993 VPVLMVSHBDBJAZ-FVFHPELPSA-N 423.572 6.108 0 40 HKAB CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc2ccccc21 4289547 ZXDCOOOXUIURGA-UHFFFAOYSA-N 413.852 5.459 0 40 HKAB COc1ccc(-c2nnc(SCCc3ccccc3)n2-c2ccccc2)cc1OC 4292096 LZIOOJSKVWFNOM-UHFFFAOYSA-N 417.534 5.286 0 40 HKAB Cc1ccc(S(=O)(=O)N2CC[C@@]3(Cl)CCCC[C@@H]3[C@@H]2c2ccccc2)cc1 4318360 UBOPKOJZKXANGC-FSSWDIPSSA-N 403.975 5.299 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CC[C@@H](CC)C2 4558283 WKEUCDJKCPADAS-CYBMUJFWSA-N 421.946 5.111 0 40 HKAB CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 4591955 KDNLCXWIDHJCRA-LTGZKZEYSA-N 405.881 5.696 0 40 HKAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2c(F)c(F)cc(F)c2F)cc1 4613831 XXMWGJFKNZHLKN-IBGZPJMESA-N 400.375 5.607 0 40 HKAB COc1ccc(-c2nc(SCC(=O)NC3CCCC3)c(-c3ccc(C)cc3)[nH]2)cc1 4927720 WHNKJHKRLUEPLD-UHFFFAOYSA-N 421.566 5.212 0 40 HKAB Fc1ccc(-n2nc(-c3ccccc3)c3cnc4cc(C(F)(F)F)ccc4c32)cc1 4970004 VQBSHEOAPBSHHM-UHFFFAOYSA-N 407.370 6.399 0 40 HKAB CNC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CCCCC2 5055807 SGTXDSXJNDCUBU-UHFFFAOYSA-N 418.562 5.147 0 40 HKAB c1ccc([C@@H]2S[C@@H](c3ccccc3)Cc3c2sc2ncn4cnnc4c32)cc1 5100841 GFVDKRAILRKFGN-MJGOQNOKSA-N 400.532 5.459 0 40 HKAB CCn1c(SCc2ccc(C(C)C)cc2)nnc1-c1ccc(Cl)cc1Cl 5937379 DISDKXXXDNBGNY-UHFFFAOYSA-N 406.382 6.688 0 40 HKAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)C1(c2ccc(Cl)cc2)CCCC1 6859758 FUZNXOMOTYQVHQ-FQEVSTJZSA-N 400.950 5.088 0 40 HKAB Cc1nc(SCC(=O)NC(c2ccccc2)c2ccccc2)n(C2CCCC2)c1C 7139929 YUZFWRGQMNMDMQ-UHFFFAOYSA-N 419.594 5.613 0 40 HKAB Cc1csc(SCc2ccccc2C(=O)O[C@@H](C)c2ccccc2Cl)n1 7784144 WSILMTRATUCJKF-AWEZNQCLSA-N 403.956 6.315 0 40 HKAB C[C@H](Sc1nc(-c2ccccc2)cs1)C(=O)Nc1ncc(Cl)cc1Cl 7814684 RXYOERUVHLWBSJ-JTQLQIEISA-N 410.351 5.631 0 40 HKAB Cc1ccc(Cn2cc([C@@H]3NC(=O)c4ccccc4N3)c(-c3ccc(C)cc3)n2)cc1 8192036 PVURZAICDNTFJK-VWLOTQADSA-N 408.505 5.069 0 40 HKAB O=C(c1cc(-c2csc(Nc3ccccc3C(F)(F)F)n2)c[nH]1)N1CCCC1 8232491 XNVJXDUNUUEWDH-UHFFFAOYSA-N 406.433 5.137 0 40 HKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1ccccc1F 9356417 NGDIOURVELFCTI-UHFFFAOYSA-N 420.465 5.032 0 40 HKAB CCCCc1nc2ccccc2n1CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 9378422 MHNMEIRGWVTEHB-FQEVSTJZSA-N 418.566 5.352 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1C 9403988 QABLAIACLWNWCP-UHFFFAOYSA-N 423.563 5.393 0 40 HKAB COc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(Cl)c(Cl)c4)c3c2c1 9675868 AUVXBCXXBDBPNB-UHFFFAOYSA-N 420.299 6.556 0 40 HKAB CCc1ccc(-c2n[nH]c(SCC(=O)N3CC[C@H](C)Sc4ccccc43)n2)cc1 9780293 VTFXYULLZAVNCK-HNNXBMFYSA-N 424.595 5.044 0 40 HKAB Cc1nnc(SCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1C1CC1 9954669 RBKVRFVFHHITLW-UHFFFAOYSA-N 421.957 5.720 0 40 HKAB CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@@H]3c2ccccn2)cc1 10215738 GQIQXMCBRHJHTO-RCZVLFRGSA-N 415.493 5.121 0 40 HKAB CCOc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(Cl)cc2)OC3=O)cc1 11689827 LJQIIBDWLODZHI-JOCHJYFZSA-N 421.880 5.445 0 40 HKAB COc1cc(Nc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)cc(OC)c1 12406691 WLWWCBYDZTYWJF-UHFFFAOYSA-N 406.869 5.609 0 40 HKAB C[C@@H]1CCc2c(sc(NC(=O)c3ccn(C)n3)c2-c2nc3ccccc3s2)C1 12444376 CLVPVEYWAFJQLY-GFCCVEGCSA-N 408.552 5.135 0 40 HKAB CCCOc1ccc2ccccc2c1CN(C)C(=O)c1cc2ccccc2oc1=O 12739880 IADPNWDMJZGKQG-UHFFFAOYSA-N 401.462 5.007 0 40 HKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-c2ccc(F)cc2)o1 12928080 JRDDWZMRKJCRRT-UHFFFAOYSA-N 421.255 5.103 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C[C@@H](C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 13409021 MHYKVQQPBSKDET-SSMQBEIBSA-N 418.706 6.830 0 40 HKAB C[C@H](NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1)c1ccc2ccccc2c1 14124772 KTOMPYCYLJFOTF-IBGZPJMESA-N 424.500 5.348 0 40 HKAB CC(C)COc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1 16575335 GVIRZAZFRDTQFC-UHFFFAOYSA-N 419.959 5.111 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cc(=O)[nH]c5ccccc45)cc3)sc2c1 16680281 UGSCXKWHSZKKOJ-UHFFFAOYSA-N 411.486 5.366 0 40 HKAB Cc1ccc(N/C=C2/C(=O)N(c3cccc(Cl)c3)C(=O)c3ccccc32)cc1C 17835863 XRRHSIXHWGURKV-HYARGMPZSA-N 402.881 5.597 0 40 HKAB COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)CCc2ccccc2)cc1 20248328 TUEODDOQNIMKED-MHZLTWQESA-N 410.517 5.283 0 40 HKAB COc1ccc([C@H]2NC[C@H](c3ccccc3Cl)c3c2[nH]c2ccccc32)cc1OC 24334932 FUOOGJQRZOPVRP-HOYKHHGWSA-N 418.924 5.663 0 40 HKAB CC(C)(C)[C@@H]1CCCc2c(C(F)(F)F)nn(-c3nc(-c4ccc(F)cc4)cs3)c21 33435779 VPIRJWVBKMDPJB-OAHLLOKOSA-N 423.479 6.620 0 40 HKAB COc1cc2ccccc2cc1C(=O)NCCSCc1c(F)cccc1Cl 44842271 XDDXMMBUTYRJTC-UHFFFAOYSA-N 403.906 5.304 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 57486763 OIWDPUXUKFCAPT-MRXNPFEDSA-N 420.900 5.044 0 40 HKAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccc(Cl)cc1Cl)C3 61997727 ZMHVTHBHCNCGGC-UHFFFAOYSA-N 404.293 5.377 0 40 HKAB biogenic COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNCc4ccccc4)C=C3C)nc2c1 72320956 JZRJKMCHULJAKM-FIXSFTCYSA-N 417.597 5.758 0 40 HKAB biogenic,in-vitro O=C(CCc1ccccc1)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 72349047 PLEUZHQGIBIHBU-UHFFFAOYSA-N 402.513 5.150 0 40 HKAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCc6ccccc6C5)(C4)C2)C3)cc1 102361681 QXOYXNYNSBWBNW-KDGKYOGISA-N 401.550 5.118 0 40 HKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(Cl)cc1 102642110 JXJFGPARDFWDTQ-HSZRJFAPSA-N 408.929 6.543 0 40 HKAB COc1cc([C@@H]2C3=C(O)C[C@@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)ccc1O 102720402 GHTSTQXWZJSZCL-NYHFZMIOSA-N 418.449 5.011 0 40 HKAB Cc1ccc(N2C(=O)/C(=C\Nc3cccc4ccccc34)c3ccccc3C2=O)c(C)c1 104716001 MEWDXCNSJISZCU-ULJHMMPZSA-N 418.496 6.097 0 40 HKAB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)s2)cc1 195529912 PSODWQFXHRFFAD-JYYAWHABSA-N 404.605 5.012 0 40 HKAB CCOc1ccc(CCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 219773664 JETBGRWMLYQZJV-UHFFFAOYSA-N 423.940 5.680 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1C(C)C 223386436 NFLKKDCFIRXEDB-OAHLLOKOSA-N 408.369 6.244 0 40 HKAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1cccc2ccccc12 224302450 GAHNOLISBDBNOS-UHFFFAOYSA-N 419.427 5.958 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1CSc1ccc(C)cc1 224664694 XRYQLELKZAWMCR-UHFFFAOYSA-N 423.603 6.660 0 40 HKAB CC(C)c1ccccc1O[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O 225134043 PDSZXJDCPMAZMH-HSZRJFAPSA-N 410.897 6.330 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(OCc2ccccc2)cc1 225325210 OSLMPDINAQEGCA-UHFFFAOYSA-N 400.305 6.144 0 40 HKAB Fc1ccccc1CSCCCNC(=S)Nc1cccc(C(F)(F)F)c1 225611869 FKSBXNNGUJHIKB-UHFFFAOYSA-N 402.482 5.454 0 40 HKAB Fc1ccc(CSCCCNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 225615494 MDABBFKKMWIQQD-UHFFFAOYSA-N 402.482 5.454 0 40 HKAB COc1ccc(CCN2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)cc1 257213162 CGKNGGUNYZBLNS-QHCPKHFHSA-N 420.984 5.757 0 40 HKAB Cc1nc(C)c(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)s1 257230885 GEJMEAPKGDRDBG-MRXNPFEDSA-N 415.946 5.012 0 40 HKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 408621981 OGCNHOGLPMEDOY-UHFFFAOYSA-N 401.677 5.256 0 40 HKAB O=C(Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2)c1cccc(Cl)c1 409055840 BKLCLHDJHZIWDM-UHFFFAOYSA-N 416.974 5.595 0 40 HKAB Cc1ccc(CSCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 409130671 UCQWSHDVETUGHK-LJQANCHMSA-N 418.562 5.358 0 40 HKAB C[C@H](NC(=O)c1cnn(-c2ccccc2)c1-c1ccccc1)c1ccc(Cl)cc1 632718 GOPXJAPMZFTYGJ-KRWDZBQOSA-N 401.897 5.684 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1Cl 849872 NHHWNUXBGBQVEV-UHFFFAOYSA-N 406.869 6.026 0 40 HKAB Cc1ccc(NC(=S)N(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C2CCCC2)cc1 874959 BXFZTJOKXSCXMZ-UHFFFAOYSA-N 419.594 5.595 0 40 HKAB Cc1cccc(C(=O)N2CCc3cc(-c4nc(NC5CCCC5)sc4C)ccc32)c1 1354363 ZRBZRZYZXWIIRR-UHFFFAOYSA-N 417.578 5.984 0 40 HKAB O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 1621155 CATQBUCEAKEMIA-UHFFFAOYSA-N 422.480 5.016 0 40 HKAB CCc1ccc2nc(-c3ccc(-c4cccc(Cl)c4Cl)o3)cc(C(=O)O)c2c1 1790045 GGWYJYYLAWNBQI-UHFFFAOYSA-N 412.272 6.729 0 40 HKAB CCCCCc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@@H]2C)cc1 1804421 HVTRLCYNKJMKMI-HFZDXXHNSA-N 412.577 7.012 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cc(C)cc23)c1 2079795 BDTUUZSAYSRTQI-UHFFFAOYSA-N 414.936 7.041 0 40 HKAB COc1ccc(-c2cc(OC(=O)c3ccc(C)cc3)c3c(C)oc(C)c3c(=O)c2)cc1 2129616 VJOUNJOEQRJDTR-UHFFFAOYSA-N 414.457 5.613 0 40 HKAB biogenic COc1ccccc1Nc1nc(-c2ccccc2)c(Oc2ccc(Cl)cc2)s1 2184956 ZNDOHCFUTAKQJN-UHFFFAOYSA-N 408.910 7.008 0 40 HKAB CSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCCC1)Cc1ccccc1-2 2295544 IXJDRNSHWRNKIN-UHFFFAOYSA-N 402.563 5.688 0 40 HKAB biogenic Cc1cccc(N2CCN(c3nc(-c4ccccc4)nc4c3oc3ccccc34)CC2)c1 2407828 OMBHMPAEMWDGBK-UHFFFAOYSA-N 420.516 5.678 0 40 HKAB Cc1c(C)c(C)c(S(=O)(=O)Oc2c(Cl)cc(Cl)cc2C=O)c(C)c1C 2577694 KCBVTQARFGPEFB-UHFFFAOYSA-N 401.311 5.116 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)Cc1ccc(Cl)cc1)c1ccccc1 2630117 RDBXZSZJPBRJQS-QHCPKHFHSA-N 423.896 5.204 0 40 HKAB O=C(CSc1ccc(Br)cc1)Nc1ccccc1Oc1ccccc1 2654367 XLLBYORMTVPZJT-UHFFFAOYSA-N 414.324 5.972 0 40 HKAB COc1ccc(-c2nn(-c3ccc(C)c(C)c3)c(-c3ccc(OC)cc3)c2Cl)cc1 2733322 KCIJLWGAIGPRRM-UHFFFAOYSA-N 418.924 6.494 0 40 HKAB Cc1cc(C(=O)Nc2scc(-c3ccc(Cl)cc3Cl)c2C(N)=O)c(C)o1 2769224 RUQRJSRVFRAURB-UHFFFAOYSA-N 409.294 5.283 0 40 HKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)c[nH]c1NC(=O)Nc1ccc(Cl)cc1 3069961 LWCPKRDHMGIXRR-UHFFFAOYSA-N 418.280 5.809 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 3133278 WNXJRYXUIFLTAV-UHFFFAOYSA-N 400.187 5.450 0 40 HKAB Cc1c(C(=O)OCc2nc3ccccc3s2)oc2ccc(Br)cc12 3405008 HNTZQEXJXZXIPD-UHFFFAOYSA-N 402.269 5.470 0 40 HKAB Cc1cc(C)c2c(c1)-c1c(ss/c1=N\c1ccc(Cl)cc1C)C(C)(C)N2 4608505 ANCDLVITVYWMCR-ATJXCDBQSA-N 401.000 6.948 0 40 HKAB Clc1ccc(C2=NN(c3ccccc3Cl)[C@@H](c3ccccc3Cl)C2)cc1 4906918 XAXHGZFXAIWRET-OAQYLSRUSA-N 401.724 7.003 0 40 HKAB COc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(Cl)cccc3s2)cc1 5142210 GWWNUXFRAYLHCA-UHFFFAOYSA-N 409.898 5.200 0 40 HKAB COc1cccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1OC 5169371 QLQFKZPGSVILPK-UHFFFAOYSA-N 409.294 5.386 0 40 HKAB Cc1ccc(/N=c2/scc(-c3ccc(C)cc3)n2CCc2c[nH]c3ccccc23)cc1 5274672 RXFZWFBXYLSSQT-ORIPQNMZSA-N 423.585 6.790 0 40 HKAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SCc4ccc(F)cc4)c23)CO1 5302858 GIIXKLGFVKDPHZ-FQEVSTJZSA-N 420.600 6.086 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1 5312144 OBLFLRXSJNFWBZ-UHFFFAOYSA-N 407.326 5.003 0 40 HKAB O[C@@]1(c2ccccc2)c2ccccc2[C@@](O)(c2ccccc2)c2cc3c(cc21)CCCC3 5340410 BVJFISVYJCGVAZ-KYJUHHDHSA-N 418.536 5.447 0 40 HKAB COc1ccc2c(-c3ccccc3)cc(SCCOc3ccc(F)cc3)nc2c1 6320152 ACNCSMJOBUJOBP-UHFFFAOYSA-N 405.494 6.221 0 40 HKAB CCCCN(CCCC)C[C@@H](O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6397501 VXIRFPQWZYNSIO-NZHMSBQYSA-N 413.646 5.796 0 40 HKAB COc1ccc(-c2nnc(SC(c3ccccc3)c3ccccc3)n2C(C)C)cc1 6541362 FXBZBFSMNGYEBK-UHFFFAOYSA-N 415.562 6.416 0 40 HKAB O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)Nc1cccc(N2CCCC2=O)c1 6988555 KIUNHMZFJXXBPV-UHFFFAOYSA-N 412.489 5.082 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)c1cccc(NC(=O)c2cccs2)c1 7278524 FPMQWMHIFPEABV-UHFFFAOYSA-N 412.514 5.520 0 40 HKAB Cc1ccc(NC(=O)[C@H](Sc2nnc(C3CC3)n2C2CC2)c2ccccc2)cc1 7902786 WZEPWSZKQLOIPY-HXUWFJFHSA-N 404.539 5.271 0 40 HKAB Cc1n[nH]c2c1[C@H](c1ccc(C(C)C)cc1)N(c1ccc(Br)cc1)C2=O 8024949 FOZPVKQTECUYBD-FQEVSTJZSA-N 410.315 5.354 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1Cl 8902913 RWKHARLGCXDTRI-UHFFFAOYSA-N 420.896 6.533 0 40 HKAB Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3ccc4ccccc4c3)c(Cl)cc12 9307694 CEEQAUJNPFBEPG-UHFFFAOYSA-N 422.864 5.504 0 40 HKAB Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)no1 9450411 XWKFHCCNVZATIN-FQEVSTJZSA-N 420.852 5.109 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(N(CC)CC)n3)cc2)cc1 9573395 ZSUVWGBIWYLZPU-UHFFFAOYSA-N 419.529 5.026 0 40 HKAB COc1ccc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 10112679 JDLPNRBSNHSIBZ-UHFFFAOYSA-N 419.955 5.442 0 40 HKAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCc4cccc(Cl)c4)c(C)c3cc12 11867558 JQUJPEFOMMFCER-UHFFFAOYSA-N 423.896 5.367 0 40 HKAB O=C1OC(c2ccc(Oc3ccccc3)cc2)=N/C1=C\c1cnn(-c2ccccc2)c1 12569470 IIPDEKBRQPLFEH-HAHDFKILSA-N 407.429 5.009 0 40 HKAB FC(F)(F)c1ccc(-c2noc(CN(Cc3ccco3)Cc3ccco3)n2)cc1 12761291 REEWYHMKNXZERV-UHFFFAOYSA-N 403.360 5.144 0 40 HKAB O=C(OCc1ccccc1)N1CCC[C@H]1/C=C/COc1ccc(Cl)c(Cl)c1 12960047 MTIRCYAEUCIIKR-MPNRVQBSSA-N 406.309 5.730 0 40 HKAB Cc1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1NC(=O)c1ccco1 13164593 DWQRLSUZCBRTQI-UHFFFAOYSA-N 424.500 5.402 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1 13632785 UPAJPXSVFBDBFR-UHFFFAOYSA-N 419.546 6.025 0 40 HKAB Clc1ccccc1CSc1nc2ccccc2c2nc(-c3cccnc3)nn12 13640147 WALYAQRNPQKWTA-UHFFFAOYSA-N 403.898 5.285 0 40 HKAB CCOc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN12 13768804 ICYIZDDLCQIKNC-NLFFAJNJSA-N 414.461 5.056 0 40 HKAB O=C1C[C@H](c2cc(F)cc(F)c2)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15081848 POXAXAOCXQMSMH-CQSZACIVSA-N 403.381 5.005 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3N3CCOCC3)o2)cc1Cl 17093343 PBZDTNYLEANZMY-PKNBQFBNSA-N 422.912 5.397 0 40 HKAB Cc1ccc2scc(CC(=O)N3CCC[C@H]3c3nnc(-c4ccsc4)o3)c2c1 19220634 LQUQCRUDYKTBSE-KRWDZBQOSA-N 409.536 5.227 0 40 HKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cccc(C(=O)O)c1 20151101 LAFAORRCOUXCFP-FNORWQNLSA-N 402.233 5.604 0 40 HKAB CCc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 20197112 BKCRHIWFXCIDRR-UHFFFAOYSA-N 422.337 5.260 0 40 HKAB CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCC2)cc1 21805329 MQQGCJCLLWDTJZ-FQEVSTJZSA-N 423.582 5.268 0 40 HKAB O=C(NC[C@H](c1cccs1)N1CCCCC1)C(c1ccccc1)c1ccccc1 27663926 QXHDVEZYDMUOHQ-JOCHJYFZSA-N 404.579 5.223 0 40 HKAB Cc1cc2oc(C(=O)Nc3nonc3-c3ccc(OC(C)C)cc3)c(C)c2cc1C 28286914 OZSSYMYAVAXBHV-UHFFFAOYSA-N 405.454 5.448 0 40 HKAB c1ccc(C(c2ccccc2)N2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1 31806748 UCXKNHDMLSWGBE-UHFFFAOYSA-N 420.516 5.288 0 40 HKAB O=C(Nc1cccc(Cl)c1F)c1ccccc1OCc1nc(-c2ccccc2)no1 32578741 WSKVTEWTRUIJDM-UHFFFAOYSA-N 423.831 5.360 0 40 HKAB COc1ccc(-c2csc(Cc3nc(-c4ccc(OC(C)C)cc4)no3)n2)cc1 33298246 HVFIZIKTQDBBKZ-UHFFFAOYSA-N 407.495 5.247 0 40 HKAB Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)cc(-n2cccn2)n1 35597384 YKQGYJLIJRWFEK-UHFFFAOYSA-N 419.876 5.012 0 40 HKAB COc1ccc(Cl)cc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccccc2)o1 57316023 GMPIGWLBEAFNTN-FMIVXFBMSA-N 412.898 5.135 0 40 HKAB CCCn1cc(-c2nc(-c3cccc(Br)c3)no2)c(=O)c2cc(C)ccc21 64963701 FNFXCSCFDXREDP-UHFFFAOYSA-N 424.298 5.199 0 40 HKAB O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1ccc(OC(F)(F)F)cc1 67297443 XPFWFSSHRFFZHK-SLMZUGIISA-N 424.378 5.816 0 40 HKAB O=C(Nc1ccc(NCC2CCCC2)cc1)c1cnc2c(cnn2C2CCCC2)c1 72232616 MTKLZBYUFOPSDF-UHFFFAOYSA-N 403.530 5.401 0 40 HKAB Cc1ccc([C@@H]2CC3=Nc4nc(C)nn4[C@@H](c4cc(F)cc(F)c4)C3=C(O)C2)cc1 102668143 KFPOPNLSZLBUJV-QRQCRPRQSA-N 406.436 5.238 0 40 HKAB C[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc2c(c1)CCC2 223215499 YIXCOKTUMVWQSN-LJQANCHMSA-N 417.574 5.837 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1ccc(C)cc1 224122655 GDNYBJYUAYZQAT-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1CSc1ccc(C)cc1 224663683 BCENSTOGGMSAOQ-UHFFFAOYSA-N 407.535 5.947 0 40 HKAB CCOc1cccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 225534679 MCTFEQXDJGTNGT-UHFFFAOYSA-N 410.514 5.290 0 40 HKAB CC[C@H](CNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ccccc1 225631087 JSXCNVBSMWXQCO-ZDUSSCGKSA-N 400.897 5.914 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1OCC 225762415 FHJQFFWBTDKDEM-UHFFFAOYSA-N 413.489 5.242 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2ccccc12 225779350 GAYFHAAOEKCOIF-UHFFFAOYSA-N 423.940 5.969 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc1OCC 408621067 NOYVRRAZXBBTRG-UHFFFAOYSA-N 407.466 5.537 0 40 HKAB Cc1cccc(Cl)c1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 408696636 CVFXLEAZQRUDLZ-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1Br 409013278 UEKOGVGCPAOXHO-GIBJHAEVSA-N 412.349 5.461 0 40 HKAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 409017490 WYEKOWZKINQZQG-REIAIGDLSA-N 411.523 5.417 0 40 HKAB Cc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 409110697 FYPFYNKCUAKPRF-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1C 409119208 SAFNLMHUAIJPGZ-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB COc1cc(CNc2cccc(Cl)c2C)ccc1OCc1cccc2ccccc12 409134248 OIHDIEYMWLIKCJ-UHFFFAOYSA-N 417.936 7.001 0 40 HKAB CCC(=O)Nc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 409177947 HOJNPZBIVIKOTP-QHCPKHFHSA-N 421.880 5.470 0 40 HKAB COc1ccc(OC)c(C(=O)CCC(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)c1 409198663 CRQWNSXHEIEJFG-UHFFFAOYSA-N 424.522 5.046 0 40 HKAB COc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccc(C)cc1 409374822 ADJXYMDHDOEDDW-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB CC(C)[C@H]1CC2(CCN(C3CCN(C(C)C)CC3)CC2)CO[C@@H]1c1ccc(F)cc1 1615154632 GYOLHRYFALJCNH-JWQCQUIFSA-N 416.625 5.514 0 40 HKAB CC(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 1889160471 ZONPAOQEAXCIKO-KIKAXNGXSA-N 422.653 6.568 0 40 HKAB CC(C)CN1C(=O)C2(CCN(C3CCCCC3)CC2)C[C@H]1Cc1ccc(F)cc1 2037845506 GVGZBYSAPKXCAJ-HSZRJFAPSA-N 400.582 5.040 0 40 HKAB CCc1cccc(C)c1Nc1c(-c2cc(Br)ccc2O)nc2ccccn12 2171245650 DVDYAIVRWQNHGR-UHFFFAOYSA-N 422.326 6.084 0 40 HKAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 812080 GGPQPSDFJFBKCE-UHFFFAOYSA-N 405.237 5.100 0 40 HKAB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)C(F)(F)F 822170 TUOPYNONLCFUJU-UHFFFAOYSA-N 405.488 5.749 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccccc3F)c3ccccc3n2)cc1OC 996631 CZWRKCMMNQXSTD-UHFFFAOYSA-N 402.425 5.310 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3nc(SCC(=O)c4ccccc4)nc(N)c23)C1 1100914 WCGQMFJLAONIQT-AWEZNQCLSA-N 411.596 5.400 0 40 HKAB S=C(Nc1ccc(Cl)cc1)N1CCS[C@H]1c1ccc(Br)s1 1441318 MKKCWCMDUIHEID-ZDUSSCGKSA-N 419.822 5.608 0 40 HKAB O=C(N[C@@H](Nc1cccc(Cl)c1Cl)C(=O)c1ccccc1)c1cccs1 1452567 PVSQXFJTYUXYML-GOSISDBHSA-N 405.306 5.106 0 40 HKAB Cc1c(C)c(Br)c(Br)c(Br)c1Br 1718702 WVJRAJZMOVQFEC-UHFFFAOYSA-N 421.752 5.353 0 40 HKAB COc1ccc(Nc2ccc3c4c(cccc24)C(=O)N(c2ccc(OC)cc2)C3=O)cc1 1735552 VBSOYFXFOFPNEN-UHFFFAOYSA-N 424.456 5.401 0 40 HKAB CCCCCOc1ccc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc1 1824858 IDDLOHVXVNHJTA-XMHGGMMESA-N 414.299 5.363 0 40 HKAB O=C(Oc1ccc(Cl)c(OC(=O)c2ccccc2Cl)c1)c1ccccc1Cl 1858230 GXQVOZUTJCFYLC-UHFFFAOYSA-N 421.663 6.085 0 40 HKAB Cc1oc2cc3oc(=O)c(CCC(=O)NCc4ccccc4Cl)c(C)c3cc2c1C 2147943 QSQVCUTYMRAPRR-UHFFFAOYSA-N 423.896 5.367 0 40 HKAB biogenic Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)sc1C 2246960 KOIWHXCJVSVWCW-SFHVURJKSA-N 422.893 5.270 0 40 HKAB Cc1ccc(NC(=O)c2c(N)n(-c3ccc(C)cc3)c3nc4ccccc4nc23)cc1 2296235 WGZJZTFNXODANE-UHFFFAOYSA-N 407.477 5.025 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2ncnc3sc(-c4ccccc4)cc23)c1C 2726488 FIGBAIYOURYTPK-UHFFFAOYSA-N 421.547 5.481 0 40 HKAB CCOc1ccc([C@H]2C[C@H](c3ccccc3OC(F)F)n3ncnc3N2)cc1Cl 2918274 IHUYCCOTZFHFRJ-HZPDHXFCSA-N 420.847 5.078 0 40 HKAB CCc1cc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc2cc1O 3187238 BNVJTYTVXFXNBA-UHFFFAOYSA-N 400.352 6.025 0 40 HKAB C[C@H](OC(=O)C1(c2ccc(F)cc2)CCCC1)C(=O)Nc1cccc(C(F)(F)F)c1 3250714 NTRAEFFIMDDIGW-AWEZNQCLSA-N 423.406 5.227 0 40 HKAB CCOc1cc(C(=O)Oc2ccc(Cl)c3ccccc23)cc(OCC)c1OCC 3281728 DCJDYZDZFCVTSN-UHFFFAOYSA-N 414.885 5.909 0 40 HKAB Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc4ccccc4c2)CSC3)cc1 4087594 WIYWUPHDMHJAOV-UHFFFAOYSA-N 415.518 5.098 0 40 HKAB Cc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3cccc(F)c3)c2c1 4161686 XXQAFEHJYNEYSY-UHFFFAOYSA-N 403.482 5.475 0 40 HKAB COc1ccc(C2=NN(C(=O)Nc3ccccc3)[C@H](C(Cl)(Cl)Cl)C2)cc1 4277055 APEKWBLEXXFXTB-INIZCTEOSA-N 412.704 5.076 0 40 HKAB CCc1ccc(C2(c3ccc(CC)cc3)C[C@@H]2C(=O)Nc2ccccc2Cl)cc1 4852576 LOGMELVRHCLNGD-JOCHJYFZSA-N 403.953 6.410 0 40 HKAB Cn1c(/C=C2/SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)nc2ccccc21 5236066 JBBOYXZVALQGNR-OQLLNIDSSA-N 404.278 5.121 0 40 HKAB CC(C)CC[C@@H](CCNCc1ccc(OC(C)C)cc1)c1ccc(OC(C)C)cc1 5296846 FSMAYSRFZZKQCJ-VWLOTQADSA-N 411.630 6.961 0 40 HKAB COc1ccccc1-c1cnoc1-c1ccc(OCc2cccc(Cl)c2)cc1O 5354076 PDXUBTGZNGGOIS-UHFFFAOYSA-N 407.853 5.955 0 40 HKAB biogenic CC(C)(C)P(=NC(=O)COc1ccccc1)(N1CCCCC1)N1CCCCC1 5496365 HVMGZCWJSCLFLF-UHFFFAOYSA-N 405.523 5.394 0 40 HKAB Cc1cccc(C)c1N[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 5659682 PDYNTFRPPQFXAL-NRFANRHFSA-N 414.958 5.089 0 40 HKAB CCc1cc([C@H](c2ccc(F)cc2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 5677872 OJYZXJNNLNKVIL-QHCPKHFHSA-N 422.569 6.277 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)c1 5698250 SJRAISVFJWGEQU-WBVHZDCISA-N 404.392 5.006 0 40 HKAB COCCCn1c(SCc2ccc(Cl)cc2Cl)nc2ccccc2c1=O 5801767 XGMBJFUDICIFBQ-UHFFFAOYSA-N 409.338 5.032 0 40 HKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccc(NC(N)=O)cc3)cc2)cc1 6084299 MQPWYMCDIUUKQR-UHFFFAOYSA-N 417.509 5.909 0 40 HKAB CC(C)(C)c1cc([C@H](c2cccs2)c2ccc(O)cc2O)cc(C(C)(C)C)c1O 6313456 CIEQSRHXBHXJRN-QFIPXVFZSA-N 410.579 6.640 0 40 HKAB O=C(NC1CCCC1)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 6678093 ZTDNZYPFHYBIJV-UHFFFAOYSA-N 405.548 5.759 0 40 HKAB CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc([C@@H](C)CC)ccc3o2)cc1 6709789 XLCRAJYIUHYPBI-INIZCTEOSA-N 423.582 6.402 0 40 HKAB Clc1ccc(OCCOCCN2CCCC[C@H]2c2cccnc2)c2ccccc12 6719411 XJRGGTBCZSMPKH-QHCPKHFHSA-N 410.945 5.511 0 40 HKAB biogenic COc1ccc(OCCCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 7725467 LFHXNQDAZZFYQZ-UHFFFAOYSA-N 401.466 5.036 0 40 HKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)cc1 7881809 MKDRHIHCONCDFS-QGZVFWFLSA-N 420.896 5.432 0 40 HKAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCc2sccc2[C@@H]1c1cccs1 7947853 VLLPMLBIPXKBOL-XMMPIXPASA-N 419.571 6.177 0 40 HKAB Fc1cc(Oc2nc3cc(Cl)c(Cl)cc3nc2C(F)(F)F)ccc1Cl 8782088 ZOFSGVKYPBSYOS-UHFFFAOYSA-N 411.569 6.540 0 40 HKAB Cc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(-c4ccncc4)nc32)cc1Cl 9185287 JUCPMWVJKQNXNL-UHFFFAOYSA-N 402.807 5.772 0 40 HKAB CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccccc3C)c2c1 9302558 SGWYZHNCNDHIKN-UHFFFAOYSA-N 423.468 6.329 0 40 HKAB biogenic O=C(NC(=S)Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc2ccccc12 9892799 WTNDKRJURRXJSM-UHFFFAOYSA-N 424.485 5.170 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C)cc2)cc1Cl 10119196 LXMRKVYTJZBODD-UHFFFAOYSA-N 418.880 5.398 0 40 HKAB O=C(Nc1cccc(Br)c1)C1[C@H]2CC[C@@H]3[C@H](CC[C@@H]12)C3(Cl)Cl 12428635 YLNAXLXLRCUAOJ-CAPBHKODSA-N 403.147 5.244 0 40 HKAB CCC(C)(C)[C@@H]1CCc2nc3sc4c(c3c(-c3ccc(C)cc3)c2C1)CCCC4 12970782 AQZMKKQGLULGRB-LJQANCHMSA-N 403.635 7.692 0 40 HKAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(N2CCCCC2)cc1 14397256 PFQORJDMPRUJER-UHFFFAOYSA-N 423.409 5.647 0 40 HKAB COc1ccc([C@@H]2CC(O)=Nc3sc(C(=O)Nc4ccccc4)c(C)c32)cc1O 15107026 HUVXOSRQCUGAFM-HNNXBMFYSA-N 408.479 5.147 0 40 HKAB CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 15238780 HWDWMTULAIMSSW-HNNXBMFYSA-N 421.566 5.557 0 40 HKAB Cc1ccc(OC[C@H](O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)cc1 15860767 SDCSAOYQBKWSMP-LJQANCHMSA-N 422.912 5.017 0 40 HKAB COc1cc2c(cc1NC(=O)c1ccccc1OC[C@@H]1CCCO1)oc1ccccc12 16470033 YIQAEGWLUXHDDF-INIZCTEOSA-N 417.461 5.405 0 40 HKAB Cc1nc(COc2cccc(C(=O)Nc3nc4ccc(Cl)cc4s3)c2)cs1 16706653 MLNWBVYAITYHFC-UHFFFAOYSA-N 415.927 5.546 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3)oc2c1 17089926 GFLZDJTXUSVKFI-UHFFFAOYSA-N 414.505 6.118 0 40 HKAB O=C(NC(=S)Nc1cccc(Br)c1)c1cccc2c(Cl)cccc12 17091989 MHVXKHPLUKXEDJ-UHFFFAOYSA-N 419.731 5.383 0 40 HKAB S=c1scc(-c2ccc(Cl)cc2)n1CN1CCC(c2ccccc2)CC1 19596654 SCIPLPSOZXYWRD-UHFFFAOYSA-N 401.000 6.437 0 40 HKAB O=C(CSCc1ccc(F)cc1)NCCSCc1c(Cl)cccc1Cl 20454253 LITOZBWGGXELPN-UHFFFAOYSA-N 418.386 5.415 0 40 HKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(Oc2ccccc2)cc1 22245886 ICVPFWYYIAFYSK-UHFFFAOYSA-N 419.481 6.379 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1cccc(CN2C(=O)CSC2=O)c1 24992735 XBJMVBMKPNNZJJ-UHFFFAOYSA-N 410.539 5.381 0 40 HKAB Cc1ccc(C)c(NC(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)c1 25391680 ZTJDZMYPKUEIMT-UHFFFAOYSA-N 421.544 5.662 0 40 HKAB Cc1c(-c2ccccc2)sc2ncn(Cc3coc(-c4cccc(F)c4)n3)c(=O)c12 26109115 VAESXMSZOICQFU-UHFFFAOYSA-N 417.465 5.276 0 40 HKAB Cc1cc(Nc2ccc(Br)cc2)n2ncc(-c3ccc(Cl)cc3)c2n1 27584910 NTQZJQDXNLWILE-UHFFFAOYSA-N 413.706 5.864 0 40 HKAB Cc1cc(Nc2ccc(Cl)c(Cl)c2)n2ncc(-c3ccccc3Cl)c2n1 27585607 JRUNMYZZRWKFQC-UHFFFAOYSA-N 403.700 6.409 0 40 HKAB CCCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCCC1 27664516 BGBXYDOHWOYWEW-OAQYLSRUSA-N 400.950 5.086 0 40 HKAB CCc1nnc(NC(=O)c2cc(-c3cc(C(F)(F)F)ccc3Cl)oc2C)s1 28048571 YMWWUEJSIPSGAI-UHFFFAOYSA-N 415.824 5.593 0 40 HKAB Cc1ccc2c(C)c(C(=O)Nc3cccc(-c4nc5ccccc5s4)c3)oc2c1C 28403110 GNHYIBXALUEEEO-UHFFFAOYSA-N 412.514 6.887 0 40 HKAB C[C@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)c1ccc(C(F)(F)F)cc1 29241261 NZBHVBQNTARVPE-LBPRGKRZSA-N 424.875 5.902 0 40 HKAB O=C(Nc1cccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1)c1ccccc1 32581150 NYKLCLGHJZVHRL-UHFFFAOYSA-N 419.695 6.151 0 40 HKAB O=C(N[C@H]1CCc2ccccc21)c1ccccc1CSc1nc2ccccc2o1 32843546 CQQHBRDOZLAJMX-FQEVSTJZSA-N 400.503 5.537 0 40 HKAB O=C(COc1cccc(-c2noc(-c3cccs3)n2)c1)Nc1ccccc1Cl 33327439 UFZVDCLPHBRJLT-UHFFFAOYSA-N 411.870 5.136 0 40 HKAB CCOc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)S2)cc1 35645918 QPOBVCWUBGGTEV-MOSHPQCFSA-N 424.909 6.081 0 40 HKAB Cc1c(C(=O)Nc2sccc2-c2nc3ccccc3s2)cnn1-c1ccccc1 38493099 QEZNKZJUGQOTPA-UHFFFAOYSA-N 416.531 5.771 0 40 HKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1c(F)cccc1Cl 44839039 NUTUYEKTIZZHAW-FQEVSTJZSA-N 409.954 5.303 0 40 HKAB Cc1nc(Nc2ccn(CCc3ccccn3)n2)c2c(-c3cccs3)csc2n1 58332333 TWPUQCIWYZQARR-UHFFFAOYSA-N 418.551 5.306 0 40 HKAB CC1CCN(C(=O)c2ccc3oc(-c4cc(Cl)c(Cl)c(Cl)c4)nc3c2)CC1 59842998 PKHKOICVABBABO-UHFFFAOYSA-N 423.727 6.327 0 40 HKAB Cc1ccc(-n2cc(-c3nc(-c4ccc(C)c(C)c4)no3)c3ccccc3c2=O)cc1 67245268 MOKRHPGHRUEGQO-UHFFFAOYSA-N 407.473 5.633 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1 72230038 FKWMWCNLHUJFEY-DEOSSOPVSA-N 423.940 5.737 0 40 HKAB O=C(c1ccc2ncccc2c1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 72356480 PVSHLHRVQFAADS-NRFANRHFSA-N 411.480 5.456 0 40 HKAB CC(C)=CCC/C(C)=C\CC/C(C)=C\CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 77952772 OTXNTMVVOOBZCV-YMCDKREISA-N 410.642 8.292 0 40 HKAB Cc1cccc(NC(=O)c2cc(-c3cnc(-c4cccnc4)nc3)cn2CC2CC2)c1C 96062739 NOQGPKKFBGGYER-UHFFFAOYSA-N 423.520 5.286 0 40 HKAB Cc1cccc(-c2ccc3nc(C4CCN(C(=O)CCC5CCCC5)CC4)nn3c2)c1 96155836 DBPLQGHIZJROKJ-UHFFFAOYSA-N 416.569 5.381 0 40 HKAB Cc1ccccc1C(=O)NC(=S)Nc1cc(C)c2oc(-c3ccccc3C)nc2c1 98086949 XQFNHPBLJIEHHH-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB CC1(C)[C@@H]2CCC[C@]1(CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl)C2 104156189 UEYXQFUTFAEKDZ-BLVKFPJESA-N 405.749 6.175 0 40 HKAB CCN(C(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C)c1ccc(F)c(F)c1 105907076 WGIIRDNZNUTDOU-UHFFFAOYSA-N 409.358 5.144 0 40 HKAB CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCc1ccc(Cl)cc1 107597951 RVSFBWBTAOECCA-UHFFFAOYSA-N 415.990 6.255 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 219355666 YFUHKLCBGIYBEI-RUZDIDTESA-N 418.537 5.109 0 40 HKAB Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)o2)cc1Cl 222634202 QZAARLCWHHICMV-WVFSVQOHSA-N 409.942 5.893 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc(CC)cc2)sc2c1CCCC2 222884193 TUUBCTMEMHENSD-GOSISDBHSA-N 415.555 5.162 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)c2cccc(OCc3ccccc3)c2)c2ccccc2O1 223051042 PFVWGRNYYKLKGB-XMMPIXPASA-N 415.533 6.078 0 40 HKAB Cc1cc(C)c([C@@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1C 223476023 GRKDYEKYBXRJKY-LJQANCHMSA-N 407.941 6.335 0 40 HKAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccccc1C(C)(C)C 224166581 SBUDONQAAVWCPS-UHFFFAOYSA-N 417.549 5.810 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2ccc(C)c(C)c2)c1 224288437 NOHVEHQLUZQAPL-UHFFFAOYSA-N 403.522 6.014 0 40 HKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 224342790 XJXFCOGCCFHIKO-JWQCQUIFSA-N 424.573 5.612 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccc(C)cc1 224466212 YFZVCTKOSKOKST-UHFFFAOYSA-N 403.522 6.348 0 40 HKAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc(Cl)cc1 224497217 JQONQOFESJCFBH-UHFFFAOYSA-N 409.913 5.290 0 40 HKAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](CC)C(=O)NC1CCCCC1 225274731 HLSWAVYDMCROQG-LJQANCHMSA-N 413.389 5.350 0 40 HKAB O=C(NCCCc1ccccc1Cl)C1CCN(Cc2ccc(Cl)cc2F)CC1 225585483 UVNILZHKFBBJOX-UHFFFAOYSA-N 423.359 5.094 0 40 HKAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225703322 NGHSPRRIMWICBI-KRWDZBQOSA-N 414.880 5.731 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 225865740 WYZQOKOYCQRPEC-DHIUTWEWSA-N 423.597 6.340 0 40 HKAB Nc1cc(Br)ccc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 226349181 FJOYTKNKEIZBRC-UHFFFAOYSA-N 409.642 5.336 0 40 HKAB COc1ccc(CCCNc2cccc([C@@H]3CCCN(C4CCCCC4)C3)n2)cc1 257215763 CROCJQSNLMRTOD-JOCHJYFZSA-N 407.602 5.647 0 40 HKAB COc1ccc([C@@H]2OC(C)(C)[C@@H]3C[C@H](O)[C@@H](C)[C@@H]2C3)cc1COc1ccc(F)cc1 257324357 WOIGMCQPWVBEDQ-IMPBCMJQSA-N 414.517 5.286 0 40 HKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3cc(-c4ccccc4)cc(C)n3)C2)cc1 257338721 YYRLMUYSNONWPM-QFIPXVFZSA-N 413.521 5.035 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(F)cc2)c1 408697742 IXUSPNFLHWGTCG-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1ccccc1CSCCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 409024687 NIJVACYLVMMDSU-HAVVHWLPSA-N 421.993 6.239 0 40 HKAB CCOc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1ccc(C)cc1 409109338 BWNZFJJXNFLCLP-UHFFFAOYSA-N 409.957 6.855 0 40 HKAB O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)c1ccccc1 625855 SUZUUWBYACPOHI-UHFFFAOYSA-N 405.910 5.563 0 40 HKAB COc1ccc(OC)c(/N=c2\ssc3c2-c2cc(OC)ccc2NC3(C)C)c1 670635 ALFPJGJKSATFPC-XDOYNYLZSA-N 414.552 5.395 0 40 HKAB Nc1c(C(=O)Nc2ccccc2)sc2nc3c(c(-c4cccs4)c12)CCCC3 756765 FCJJNWJAPQNPLA-UHFFFAOYSA-N 405.548 5.738 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)=C2c1ccc2c(c1)NC(=O)CO2 1607646 KREUGRLQRHURCN-UHFFFAOYSA-N 413.473 5.156 0 40 HKAB CCCCOC(=O)Oc1ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)coc2c1 1775106 WZNICRBDKVFHAS-UHFFFAOYSA-N 416.857 6.171 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)c(C)c3)c3ccccc3n2)cc1 1840373 YKIGQBYPQOEMMT-UHFFFAOYSA-N 409.485 5.867 0 40 HKAB O=C(Oc1ccc2ccc(OC(=O)c3ccccc3F)cc2c1)c1ccccc1F 2069658 HIWZPFXKVAOACG-UHFFFAOYSA-N 404.368 5.556 0 40 HKAB O=c1/c(=C/c2ccc(Cl)cc2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 2158853 QNAKEJQPOJTLMM-HKWRFOASSA-N 414.917 5.291 0 40 HKAB Cc1ccc(C(=O)N2C(=O)c3ccccc3O[C@H]2c2ccc(Br)cc2)cc1 2317030 XCBBFWKRNPWBBK-QFIPXVFZSA-N 422.278 5.131 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2557455 LNGLEOIUQBVRRY-XDSWKKQHSA-N 400.647 6.856 0 40 HKAB biogenic O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1cccc(Br)c1 3043211 XMZABZRTNJBOBU-UHFFFAOYSA-N 420.262 5.475 0 40 HKAB O=C1CSC2=NC3=C(CCC/C3=C\c3ccc(F)cc3)[C@@H](c3ccc(F)cc3)N12 3196879 XOOSTEJKJADOIS-CNCHJIQNSA-N 408.473 5.473 0 40 HKAB Cc1ccc(C)c(Sc2ncccc2C(=O)OCC(=O)Nc2ccc(C)c(C)c2)c1 3412544 UMKCAYXIQXNFJS-UHFFFAOYSA-N 420.534 5.262 0 40 HKAB O=C(CC1c2ccccc2Oc2ccccc21)Nc1ccc2c(c1)oc1ccccc12 3661689 OSFRWSNCYFFANQ-UHFFFAOYSA-N 405.453 6.852 0 40 HKAB COc1ccc(CNCC[C@H](Cc2ccccc2)[C@H]2CCOC(C)(C)C2)cc1OC 4028802 XENNHJMHYSULQK-PKTZIBPZSA-N 411.586 5.248 0 40 HKAB biogenic Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2C)c1 4122965 PLZSBFIIBZJOOV-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CSC3)CC1 4176195 BNESZPFZTWRTRH-UHFFFAOYSA-N 411.615 6.171 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c1 4691232 ZANCRTCBJSSDSY-UHFFFAOYSA-N 401.466 5.339 0 40 HKAB O=C(NC1=NN(C(=O)Nc2ccccc2)C2(CCCCC2)S1)Nc1ccccc1 4786573 MTYFYYUWCBOLJM-UHFFFAOYSA-N 409.515 5.020 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)c1cc2sccc2n1Cc1ccccc1 4970961 WVWYCRKJFBRMIP-UHFFFAOYSA-N 408.526 6.670 0 40 HKAB Cc1ccc(Cn2c([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)nc3ccccc32)cc1 7544427 HWFYDHPEGJSEBJ-IBGZPJMESA-N 415.924 5.567 0 40 HKAB COc1ccc(-c2nnc(SCc3cc(C)on3)n2C2CCCCC2)cc1OC 7821429 NXEQUJVKYVDGTB-UHFFFAOYSA-N 414.531 5.056 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 8902705 ZCGIUTVLMYDFTL-UHFFFAOYSA-N 421.478 5.181 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)cc1OC 9194812 XDPJRWFBGFTGJO-UHFFFAOYSA-N 422.868 5.726 0 40 HKAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)c1nnc(-c2cccs2)o1 9218816 IDEDPGVRGPJMBI-SECBINFHSA-N 408.430 5.613 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(Cl)c2)c1 9345342 QVCFFHYBDOKSJT-ISKFKSNPSA-N 423.343 6.853 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NS(=O)(=O)Cc1ccc(Cl)cc1 9694934 YTQMDSSAMVCZIZ-UHFFFAOYSA-N 417.983 5.883 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@@H]3c2ccsc2)cc1 10215743 NLEDJEWAOGNQHZ-XUZZJYLKSA-N 420.534 5.788 0 40 HKAB Cc1cc(C)c2sc(N(C[C@H]3CCCO3)C(=O)c3ccc4c(c3)CCCC4)nc2c1 11141111 AQXSGYJLYZEFRN-OAQYLSRUSA-N 420.578 5.618 0 40 HKAB O=C(Nc1cc(Cl)ccc1F)C1CCN(C(=O)c2cccc3ccccc23)CC1 12729874 WXEJAVKWKAFAMN-UHFFFAOYSA-N 410.876 5.123 0 40 HKAB CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccc(CSc3ccccc3)o2)cc1 12919657 LZQFBMRBBNOQEY-UHFFFAOYSA-N 408.523 5.353 0 40 HKAB CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(-c1ccccc1)nn2-c1ccccc1 13518283 QZDRVVKJGIFKFJ-OAQYLSRUSA-N 409.489 5.412 0 40 HKAB O=C(Nc1ccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1)c1ccco1 14857481 ZNQLPJBHFRLXGK-UHFFFAOYSA-N 412.848 5.129 0 40 HKAB CCCCSc1nnc2c(n1)O[C@@H](c1ccco1)N(C(=O)CCC)c1ccccc1-2 15016333 ILTJNACYTKLQOS-NRFANRHFSA-N 424.526 5.248 0 40 HKAB O=C(c1cc(F)c(F)cc1Cl)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 15356694 OXXRCGWFFMOOOW-UHFFFAOYSA-N 424.234 5.126 0 40 HKAB O=C(C[C@H](Sc1cccc(Cl)c1Cl)c1ccccc1)c1ccc(Cl)cc1 16477293 FMJXNDRAWJOESZ-FQEVSTJZSA-N 421.776 7.753 0 40 HKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)COc1cccc2ccccc12 17088226 RLVHCWXWXAHHQM-UHFFFAOYSA-N 409.445 5.369 0 40 HKAB COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1Br 17092889 BECJOSUWUFKICC-UHFFFAOYSA-N 422.282 5.253 0 40 HKAB CCCOc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c3ccccc3n2)cc1 18154918 PLJFGSXDTVHLKN-KDURUIRLSA-N 402.538 5.809 0 40 HKAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 20140028 GUJPGVFQDKDUKP-UHFFFAOYSA-N 410.640 5.857 0 40 HKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(N2CCCCC2)c(F)c1 21576394 SWUBIFFSBGUXBA-UHFFFAOYSA-N 410.533 5.881 0 40 HKAB Cc1cccc(C)c1NC(=O)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 22073120 KANPRDQTXGNHRE-UHFFFAOYSA-N 401.388 5.593 0 40 HKAB O=C(Nc1ccc2c(c1)OCCO2)c1scc(-c2ccc(F)cc2)c1-n1cccc1 23125563 VXCWFWHTSLFITA-UHFFFAOYSA-N 420.465 5.368 0 40 HKAB COc1ccc(-c2nc(COC(=O)Cc3ccc4ccccc4c3)cs2)cc1OC 24315202 RGFXEAHKWLZQPR-UHFFFAOYSA-N 419.502 5.266 0 40 HKAB COc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)cc4)cc3n2)cc1 26124696 NWIWHTXZRXALOX-LFYBBSHMSA-N 418.884 5.043 0 40 HKAB CCc1cc(C(=O)N(C)C2CCCCC2)c2c(C3CC3)nn(-c3ccccc3)c2n1 36621629 XVFHGDLFJDYMAK-UHFFFAOYSA-N 402.542 5.265 0 40 HKAB O=C(Nc1cc(Cl)ccc1OC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 36636319 LEBGJKGSJCWMMV-UHFFFAOYSA-N 420.679 6.118 0 40 HKAB O=C(Nc1cccs1)N1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1 38536185 YFNWDIRPDJVTJJ-UHFFFAOYSA-N 408.449 5.061 0 40 HKAB CCOc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 38834341 XJTNQZVXYHRWJE-INIZCTEOSA-N 407.341 5.243 0 40 HKAB CC(C)(C)c1ccc(-c2ccc(NC(=O)C[C@@H]3CCS(=O)(=O)C3)c(Cl)c2)cc1 40074440 FSBDTTSPBVXCFF-HNNXBMFYSA-N 419.974 5.068 0 40 HKAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1ccc(OCc2c(C)noc2C)cc1 58407495 AHENDGDOLDVTEL-OAQYLSRUSA-N 408.498 5.215 0 40 HKAB CC(C)c1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)c1 67292777 MXZCAROMKYGZBE-VUFATCQFSA-N 424.928 5.351 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccc(F)c(F)c1 67294528 GZEJKGWQIWIATD-QYQHSDTDSA-N 410.807 5.849 0 40 HKAB CCOC(=O)c1cc(-c2ccc(OC)cc2)c2c(C)nn(-c3cccc(Cl)c3)c2n1 71405462 BQHNPCJWDAKOAC-UHFFFAOYSA-N 421.884 5.235 0 40 HKAB Cc1nn(C)c(C)c1Nc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 71807907 IXOCSJSGXLCLRI-UHFFFAOYSA-N 412.522 5.514 0 40 HKAB Clc1cccc(-c2noc([C@H]3CC34CCN(c3ncnc5sccc35)CC4)n2)c1 71890520 HNMOTNKDTWPASS-MRXNPFEDSA-N 423.929 5.169 0 40 HKAB Cc1csc(SCC2CCN(C(=O)C3(c4cccs4)CCCC3)CC2)n1 90608132 GHJBAHIEVADAOL-UHFFFAOYSA-N 406.642 5.356 0 40 HKAB O=C1C[C@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)c(Cl)c1 101277193 JWYVTDOMLJRTNT-AWEZNQCLSA-N 404.080 5.044 0 40 HKAB CSc1cccc(NC2=C[C@@H](c3ccccc3)N(c3cccc(SC)c3)C2=O)c1 103753728 BWNUZALCKBEOTH-QHCPKHFHSA-N 418.587 6.214 0 40 HKAB CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118927579 VIBBLWWRIXYIGT-JZAVHCKJSA-N 402.619 6.194 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 222781745 RKARCZXDLBTALF-FQEVSTJZSA-N 422.569 5.541 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)NCCSCc1cccc(Cl)c1 223158112 WBDHGNQXBVTPHY-UHFFFAOYSA-N 418.386 5.415 0 40 HKAB S=C(NCCCc1ccccc1)Nc1ccc(Sc2ccc(Cl)cc2)nc1 223964345 KJIBVZLYYOFVMH-UHFFFAOYSA-N 413.999 5.805 0 40 HKAB Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)c1ccc(-c2ccccc2)cc1 224336515 SCVCOYPCXXTDQK-UHFFFAOYSA-N 413.452 5.944 0 40 HKAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1cccc(Cl)c1 224885329 SGDAGHRLIWBRDD-UHFFFAOYSA-N 405.679 5.329 0 40 HKAB CCOc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224961669 MUQZAEQBLIFFIB-UHFFFAOYSA-N 418.880 6.313 0 40 HKAB CSc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)c1 224962379 DXUVTMGWCGYUAP-UHFFFAOYSA-N 420.921 6.636 0 40 HKAB CCOc1cccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)c1 225365372 QZNLQXRPTHVWLX-UHFFFAOYSA-N 415.411 5.612 0 40 HKAB CCOc1ccc(CCCNC(=S)Nc2ccc(Br)c(C)c2)cc1 225622098 XSSTXRLZMUUZQS-UHFFFAOYSA-N 407.377 5.075 0 40 HKAB CC[C@@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc(OC)c(C)c1 225623178 JSQOHROOVKOFHC-JOCHJYFZSA-N 414.977 5.137 0 40 HKAB COC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 226333917 SGDVFQLLZLORJN-XVNBXDOJSA-N 416.098 5.521 0 40 HKAB CCc1ccc(-c2csc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4CC[C@H]3C4=C(C)C)n2)cc1 226591193 UKJGSAZZKIRXKP-FEHORTKBSA-N 410.539 5.004 0 40 HKAB O=C(CCc1cccc(Cl)c1)N1CCC[C@@H](c2ccc(Cc3ccccc3)cn2)C1 257317647 VKPDMHFLGUNWAI-HSZRJFAPSA-N 418.968 5.665 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cccc(C(F)(F)F)c1 408573051 LIUXGIIBJDEIBH-ZRDIBKRKSA-N 416.424 5.492 0 40 HKAB O=C(Nc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1)c1ccccc1 408621432 MHKISABSXHHCHQ-UHFFFAOYSA-N 400.865 5.998 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(Br)cc2F)cc(Cl)c1OCC 408625022 WNKUTBAQFRDESG-UHFFFAOYSA-N 416.674 5.291 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 408724883 MPFPNJRMNGQDMG-UHFFFAOYSA-N 423.903 6.598 0 40 HKAB COc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 409115071 GVFSEFQITLRNCU-UHFFFAOYSA-N 416.290 5.788 0 40 HKAB CC(C)c1ccc2c(c1)Cc1cccc(c1)CN(Cc1cccnc1)CCOCCO2 643566614 UKIJBLGSFLWZSJ-UHFFFAOYSA-N 416.565 5.207 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(OCc3ccccc3Cl)cc2)ccc1Cl 1083102875 LTYKZLKBSSMZNT-UHFFFAOYSA-N 416.304 5.898 0 40 HKAB COc1ccc2oc(=O)c(-c3csc(Nc4ccc(Cl)cc4Cl)n3)cc2c1 856328 HYNQCPOHWMSTCI-UHFFFAOYSA-N 419.289 5.976 0 40 HKAB Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccc(Br)cc1 863694 XWGBZLIXMGNMEZ-UHFFFAOYSA-N 415.312 5.324 0 40 HKAB Cc1cc2cc(CN(C(=S)Nc3ccc(F)cc3)C3CCCC3)c(=O)[nH]c2cc1C 878996 SSDSUPPTWTWHRT-UHFFFAOYSA-N 423.557 5.426 0 40 HKAB CCC(=O)N(CCc1ccc(OC)c(OC)c1)c1nc(-c2ccc(C)cc2)cs1 932730 GZQZQKLPBIUSBC-UHFFFAOYSA-N 410.539 5.121 0 40 HKAB Cc1ccc(C)c(Oc2coc3cc(OCC(=O)NC4CCCCC4)ccc3c2=O)c1 956111 ZGISIPSJGJVYDY-UHFFFAOYSA-N 421.493 5.030 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 970728 IOVFSUFUPLLTNV-IZZDOVSWSA-N 405.841 5.204 0 40 HKAB O=C(c1sc2cccc(Cl)c2c1Cl)N1CCN(c2ccc(F)cc2)CC1 1084412 HRKYDGXSXXZZRF-UHFFFAOYSA-N 409.313 5.310 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cnc(-c2ccccc2)nc1-c1ccccc1 1401658 FMYBYLKBQMGEFJ-UHFFFAOYSA-N 419.406 6.082 0 40 HKAB O=C(Nc1ccc2c(c1)OCO2)c1sc2cc(Cl)cc(Cl)c2c1Cl 1445776 GCQBAIFISKSWOJ-UHFFFAOYSA-N 400.670 5.843 0 40 HKAB COc1ccccc1Oc1coc2cc(OCc3cccc(Cl)c3)ccc2c1=O 1448111 CGPWQXBLVFTTMU-UHFFFAOYSA-N 408.837 5.826 0 40 HKAB biogenic COc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)oc2c1 1748325 LIHQQCALUWGKGB-UHFFFAOYSA-N 412.363 6.280 0 40 HKAB CCCOc1cccc(-c2cc(C(=O)NC3CCCCCCC3)c3ccccc3n2)c1 2089618 UGROLMUHIHRJNR-UHFFFAOYSA-N 416.565 6.533 0 40 HKAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1 2652001 DLKSVLVJOIYUBP-UHFFFAOYSA-N 422.550 5.079 0 40 HKAB COC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc2c1CC[C@H](C)C2 2745518 KELYSTMFLBNPEL-GLNPCMGASA-N 411.567 5.609 0 40 HKAB Clc1ccc(COn2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cc32)cc1 3063575 PFSIXAQZGHWYFS-UHFFFAOYSA-N 403.696 6.292 0 40 HKAB FC(F)(F)c1cnc(-c2ncc3c(Cl)cc(C(F)(F)F)cn23)c(Cl)c1 3128183 IHHHAPIBCVRCBK-UHFFFAOYSA-N 400.109 5.741 0 40 HKAB CCO[P@@](=O)(C(NC(=O)/C=C/c1ccccc1)=C(Cl)Cl)c1ccccc1 3190247 JKVDAQFPIDSSHK-JBXKERDYSA-N 410.237 5.060 0 40 HKAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3248711 BATBXBZHKKKQCR-UHFFFAOYSA-N 415.324 5.160 0 40 HKAB Cc1cc(C)c(C(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1C 3369418 PANSQLKPPZOYKA-UHFFFAOYSA-N 421.012 6.217 0 40 HKAB CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCc1ccco1 4027985 VPMDEJHHEPSXQO-DXJYLSMCSA-N 417.590 5.329 0 40 HKAB biogenic CCCCc1ccc2nc(Nc3nc4ccc5sc(C)nc5c4s3)sc2c1 4137720 AVYLKACPRHZYSH-UHFFFAOYSA-N 410.593 6.910 0 40 HKAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccc(F)c2)n2c(nc3ccccc32)N1 4731521 ARLONHGZSUPGRR-QHCPKHFHSA-N 412.468 5.411 0 40 HKAB CCCCC(=O)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@H]1c1ccc(OC)cc1 4816875 KIMPHEXPKUOECP-SFTDATJTSA-N 424.932 5.198 0 40 HKAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@]4(C)[C@@H]3CC[C@]12C 4906862 JNLBJTOWMWKEJV-AGRMSFSESA-N 418.618 5.873 0 40 HKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2sccc2n1Cc1ccc(F)cc1 4971377 NDFSDRXNKHLALJ-UHFFFAOYSA-N 408.542 5.589 0 40 HKAB O=C(C[C@H](c1ccccc1)[C@@H]1CCCN(c2ccccc2)S1(=O)=O)c1ccccc1 5373742 ZMCIVDFAVZLHII-NOZRDPDXSA-N 419.546 5.042 0 40 HKAB CC[C@H](C)c1ccc(C(=O)CSc2nnc(-c3ccc(OC)cc3OC)o2)cc1 5392028 HIBGMUBCOZOVKV-AWEZNQCLSA-N 412.511 5.242 0 40 HKAB O[C@H](CN1CCCCC1)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc12 5933450 XQRAFDCEKRYLLH-JOCHJYFZSA-N 401.337 5.728 0 40 HKAB COc1cc(O)c(-c2c(C)cc(OC)c3c(OC)cccc23)c2c1[C@H](C)N[C@H](C)C2 6418967 XUFOYASAFNKRRE-CABCVRRESA-N 407.510 5.142 0 40 HKAB biogenic,in-vitro O=C(O)CCC(=O)Nc1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1 6899013 JWHQPVYQIICFKV-UHFFFAOYSA-N 417.490 5.510 0 40 HKAB COC[C@H](C)n1c(SC(c2ccccc2)c2ccccc2)nc2ccccc2c1=O 6899275 BYFQNXHRZILVBE-SFHVURJKSA-N 416.546 5.486 0 40 HKAB COc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccccc1Cl 7274920 GWKHMEPXMCHDNW-UHFFFAOYSA-N 403.309 5.266 0 40 HKAB Cc1ccc(Cn2ccnc2SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 7391715 QNTSDECYMKPZRL-UHFFFAOYSA-N 406.338 5.277 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1SC[C@@H]1CCCO1 7919462 SBEQFAUZNRQQQK-NRFANRHFSA-N 405.519 6.002 0 40 HKAB COc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 8534251 RUBCWVDXPLJGLJ-INIZCTEOSA-N 416.348 6.432 0 40 HKAB Cc1ccc(-c2nnc(SCC(=O)c3ccc[nH]3)nc2-c2ccc(C)cc2)cc1 9337173 AEAOFQWMCXZLKH-UHFFFAOYSA-N 400.507 5.126 0 40 HKAB CCOc1c(Br)cc(C(=O)Nc2nc3c(C)cccc3s2)cc1OC 9632271 YPDTYKALJHEZGX-UHFFFAOYSA-N 421.316 5.027 0 40 HKAB O=C(Nc1ccc2c(c1)C(=O)Nc1ccccc1O2)c1ccccc1Br 9827859 DQLVQYYCZQOXRC-UHFFFAOYSA-N 409.239 5.059 0 40 HKAB Cn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccccc1 11312186 QYOXCNLXFDKBMM-UHFFFAOYSA-N 412.603 5.068 0 40 HKAB O=C(Nc1nc2c(s1)CCCC2)c1ccc(Cl)c(NC(=O)c2cccs2)c1 11985860 SUVZRYKMOPEVOY-UHFFFAOYSA-N 417.943 5.241 0 40 HKAB COc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(C(C)(C)C)cc1)O2 13799393 BGVVYWWQBQMVOY-AOYPEHQESA-N 412.533 6.235 0 40 HKAB CC(=O)N(C)Cc1ccc(-c2csc(-c3cccc(Br)c3)n2)cc1 14118926 RYSAARASRZGOMK-UHFFFAOYSA-N 401.329 5.218 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)N(Cc3ccco3)Cc3ccccc3Cl)oc2c1 15831073 QJFZZQDXNCRLML-UHFFFAOYSA-N 407.897 6.447 0 40 HKAB Cc1ccc2nc(-c3ccc(CNC(=O)CSc4ccc(Cl)cc4)cc3)oc2c1 16348597 HXJKAAOEWMHJDA-UHFFFAOYSA-N 422.937 5.865 0 40 HKAB Fc1ccccc1COc1ccc2ccccc2c1CNCCc1c[nH]c2ccccc12 16525932 WQKRTAPYCXYKGM-UHFFFAOYSA-N 424.519 6.372 0 40 HKAB Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1 19881401 PISOIHQJIHDNNX-UHFFFAOYSA-N 421.544 5.168 0 40 HKAB CCOc1ccc(CCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OCC 19933638 IMHBOFMXVNSHFF-UHFFFAOYSA-N 415.839 5.728 0 40 HKAB Clc1ccc(-c2csc(N3CCN(Cc4ccccc4Cl)CC3)n2)cc1 20076935 KVJZUEIKKNNCLN-UHFFFAOYSA-N 404.366 5.439 0 40 HKAB Cc1ccc(C2(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)CCCC2)cc1 20096473 LACSTHJWACFGEI-UHFFFAOYSA-N 404.535 5.759 0 40 HKAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1cccc(C)c1C 21787430 MEELYMCDBOKAOW-HSZRJFAPSA-N 405.542 5.196 0 40 HKAB COc1ccc(-c2cn3nc(-c4ccc(Cl)c(Cl)c4)n4c3c2CCCC4)cc1 27526477 ZJGIPBSZYQAZKA-UHFFFAOYSA-N 412.320 6.122 0 40 HKAB CCCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)cc1 27663732 CKMKOCYCVCXUHH-JOCHJYFZSA-N 400.950 5.086 0 40 HKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCCc3ccccc3)CC2=O)cc1 27792727 DUINMNVPLYOODM-JOCHJYFZSA-N 409.533 5.498 0 40 HKAB CS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 28880149 MXEMHTRNBMHRDG-UHFFFAOYSA-N 419.424 5.028 0 40 HKAB c1ccc(CN[C@H]2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2c2ccccc2)cc1 31638224 UQNIZCLCTUZFFG-WUFINQPMSA-N 403.529 5.811 0 40 HKAB CC(=O)N(CC[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@H]1CCOC(C)(C)C1 32096994 QTDJRNMXMWGMNJ-XZOQPEGZSA-N 417.952 5.807 0 40 HKAB O=C(CCOc1ccc(Cl)c(Cl)c1)Nc1cccc(NC(=O)c2ccco2)c1 32816492 KXCVVXNAPRGGEL-UHFFFAOYSA-N 419.264 5.246 0 40 HKAB COc1cccc(CC[C@H]2CCCCN2C(=O)c2ccc(-n3nc(C)cc3C)cc2)c1 35317109 UDALWBDUUNLWDT-HSZRJFAPSA-N 417.553 5.125 0 40 HKAB CC(=O)OCC(C)(C)[C@H](OC(C)=O)C(C)(C)[C@@H]1Nc2ccccc2-c2ccccc21 38337893 JEBKMKIAQLPXBR-PKTZIBPZSA-N 409.526 5.367 0 40 HKAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(Br)c(Cl)c2)CC1 39742165 VFIPMOHBWSKNQB-UHFFFAOYSA-N 421.766 5.262 0 40 HKAB CCCN(Cn1nc(-c2ccncc2)n(CCC)c1=S)[C@@H]1CCc2ccccc21 58162840 OEXPBPTXRJENSD-OAQYLSRUSA-N 407.587 5.243 0 40 HKAB O=C(Nc1cccc(Br)c1)N(C1=NCCS1)c1ccc(Cl)cc1 67321231 NJDZJLRBSKWZGU-UHFFFAOYSA-N 410.724 5.244 0 40 HKAB COC(=O)c1c(NC(=O)/C=C/c2cc3cc(C)ccc3o2)sc2c1CC[C@@H](C)C2 67339707 UABCXMFRYJDFRI-VIIAAUOXSA-N 409.507 5.366 0 40 HKAB COc1cccc(-c2nccc([C@@H]3CCCN3C(=O)c3ccc4oc(C)cc4c3)n2)c1 72355890 WJXQCMARDDSBTB-QFIPXVFZSA-N 413.477 5.184 0 40 HKAB O=C(c1cccc(Cl)c1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77177387 PKZJYPOIGPMTSN-AWEZNQCLSA-N 401.894 5.017 0 40 HKAB c1ccc2c(OCc3nnc4sc(C56CC7CC(CC(C7)C5)C6)nn34)cccc2c1 80346482 AASNPAOXTJENNQ-UHFFFAOYSA-N 416.550 5.386 0 40 HKAB O=C(Nc1nc(C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)cs1)c1cccc(Cl)c1 101024341 RVGNQCSYWFZNFY-BHRWCRGXSA-N 407.366 5.878 0 40 HKAB Clc1cccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3ncnn32)c1Cl 101218827 CRGBJHTXYCIWIN-OAQYLSRUSA-N 419.315 6.308 0 40 HKAB CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@H](c1ccc(C)cc1)C[C@@H]2C(F)(F)F 101993797 LMSOVKXUSILEMH-FPMFFAJLSA-N 414.859 5.034 0 40 HKAB Fc1ccc(C2=NN3[C@H](c4ccc(F)c(F)c4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 103175208 ZSIMTYCGSOROSH-IRLDBZIGSA-N 414.814 6.000 0 40 HKAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1C[C@H]1CC=C(C)C1(C)C 103971973 ALVSXBNVSPRINX-GCJKJVERSA-N 406.570 6.509 0 40 HKAB c1ccc(C2c3ccccc3C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1 104086359 JZNPLAAXCSMWAW-UHFFFAOYSA-N 408.544 7.563 0 40 HKAB CC1(C)[C@H]2C[C@H]1CC[C@H]2CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl 104341537 UGOBKUJFKZIHDK-XQQFMLRXSA-N 405.749 6.031 0 40 HKAB CCn1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)c2ccccc21 106720225 VYMUCEBWFHKDTB-UCQKPKSFSA-N 412.514 6.051 0 40 HKAB Cc1ccc(NCc2c(OCc3ccccc3F)ccc3ccccc23)cc1Cl 106972130 JOOJFLQRZWPHAL-UHFFFAOYSA-N 405.900 7.132 0 40 HKAB Cc1cc(C)n(-c2ccc(CCC(=O)Nc3cc(Cl)c4oc(C)cc4c3)cc2)n1 141590179 OVLCQKNSTJSXSR-UHFFFAOYSA-N 407.901 5.768 0 40 HKAB CCOc1c(Cl)cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OC 222657547 GOIPQXABLJWGAM-ZMYBRWDISA-N 417.962 5.122 0 40 HKAB CCc1ccc([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 223191758 UJLVJWPQAIJMFT-HNNXBMFYSA-N 418.375 5.565 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccccc1C(C)(C)C 223714238 TWFFLXSJFISFTA-JOCHJYFZSA-N 405.538 5.490 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1cc(C)cc(C)c1 224531074 ODEOGJUDHCPVFO-UHFFFAOYSA-N 403.522 6.150 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C)c(C)c3)o2)cc1 224917244 VEVFAHZIKDKAEF-UHFFFAOYSA-N 412.489 6.276 0 40 HKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 225061383 XMTZFZDQRHGQCJ-RUZDIDTESA-N 420.597 5.102 0 40 HKAB CC(C)(C)c1ccc(OCCNC(=O)c2cc(Br)ccc2Cl)cc1 225075103 ACNINIHCNXTNIJ-UHFFFAOYSA-N 410.739 5.209 0 40 HKAB Cc1ccc(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1 225143083 XUHFBKBSYVIATK-UHFFFAOYSA-N 414.549 6.034 0 40 HKAB COc1ccc(Nc2nc(/C=C3/SCCN3C(=O)c3ccc(C)cc3)cs2)cc1 225251344 SYSSCGWHZOYCOO-DEDYPNTBSA-N 423.563 5.391 0 40 HKAB Cc1cccc([C@H](NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c2ccccc2)c1 225292911 LFCJOALUQSXOJA-AREMUKBSSA-N 409.533 5.376 0 40 HKAB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)Nc1cccc(Cl)c1 225338035 WJTSTMWGDZYPEC-UHFFFAOYSA-N 405.910 5.707 0 40 HKAB C[C@@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(C(C)(C)C)cc1 225408462 HVODJPAVWDUPEW-GOSISDBHSA-N 423.626 5.658 0 40 HKAB S=C(Nc1ccc(OC2CCCC2)cc1)NC1(CCc2ccccc2)CCCC1 225869295 HPEUIJNAUQXLNG-UHFFFAOYSA-N 408.611 6.240 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c(C(F)(F)F)c3)CCCC2)cc1 225955840 WKCZYTMJPPKBTJ-UHFFFAOYSA-N 419.487 6.499 0 40 HKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2-c2ccc(C(=O)O)o2)cc1 226354969 WLTKLZNNMKUKKT-UHFFFAOYSA-N 422.506 5.069 0 40 HKAB COc1ccc(CC(=O)N2CCCC[C@H]2c2ccc(Cc3ccc(F)cc3)nc2)cc1 257295760 QZSBUKZFOVVGPH-VWLOTQADSA-N 418.512 5.116 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1nc2ccc(F)cc2s1 408572249 HOGJSOCKFHKFAO-DHZHZOJOSA-N 423.494 5.222 0 40 HKAB Cc1ccccc1CNC(=S)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 408574297 LOXGDMQOYAMNOA-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2)c1 408614858 IXFNWRDRBYGTPC-UHFFFAOYSA-N 413.304 5.484 0 40 HKAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1 408664567 CIAWTPWQJCCZGP-UHFFFAOYSA-N 416.260 5.581 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(Cl)ccc2C)cc1 408674964 FMJGDNBCAFWIHZ-UHFFFAOYSA-N 418.880 5.398 0 40 HKAB COc1ccc(Cl)cc1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408676476 OIORVKUPJGJHBV-UHFFFAOYSA-N 422.843 5.229 0 40 HKAB Cc1ccc(CNC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)cc1 409171565 DRGXBSZDVSNYEH-VHFNBEQNSA-N 422.572 6.222 0 40 HKAB CC(C)CC[C@H](O)[C@@](C)(O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C 1529051563 ISBSSBGEYIBVTO-WRWHSQKLSA-N 418.662 5.474 0 40 HKAB COc1cccc(C(=O)N(c2ccccc2)[C@H]2C[C@@H](C)N(C(C)=O)c3ccccc32)c1 713024 HXHUJYWBFHSGAR-CJAUYULYSA-N 414.505 5.228 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 826987 LJCWVZDDSXFNNV-UHFFFAOYSA-N 422.819 5.382 0 40 HKAB C[C@@H](NC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1ccccc1 917944 CQMNUARFKAHIIN-CYBMUJFWSA-N 421.444 5.115 0 40 HKAB CCCc1nc2ccc(NC(=O)C(C)(C)C)cc2c(=O)n1Cc1cccc(Cl)c1 930754 DNNWAZJMQLBYOL-UHFFFAOYSA-N 411.933 5.035 0 40 HKAB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1cccnc1 977566 JSXDLWPURAUKAZ-UHFFFAOYSA-N 424.938 5.139 0 40 HKAB Cc1cccc2cc3c(N)c(C(=O)Nc4cccc(C(F)(F)F)c4)sc3nc12 1223904 CCOFCAHHMOFLJU-UHFFFAOYSA-N 401.413 5.611 0 40 HKAB Cc1c(OCc2c(Cl)cccc2Cl)c(C(F)(F)F)nn1-c1ccccc1 1396728 MFYBCSHLLOYPLZ-UHFFFAOYSA-N 401.215 6.085 0 40 HKAB FC(F)(F)c1cc(-c2ccc(Br)cc2)nc2cc(-c3ccccc3)nn12 1414063 NPJYZTYABPGJIA-UHFFFAOYSA-N 418.216 5.845 0 40 HKAB CN(C)CCCOc1ccc(N[C@@H]2c3ccccc3CSc3ccccc32)cc1 2049813 LWAPUWSQIHHHOT-RUZDIDTESA-N 404.579 5.824 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4cccc5ccccc45)c3)nc2c1 2067812 AWGURTQEOKRWKW-UHFFFAOYSA-N 406.485 6.826 0 40 HKAB O=C(Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)Nc1ccc(Cl)cc1 2195968 ZYDMHJZNLFTYOR-UHFFFAOYSA-N 424.287 5.009 0 40 HKAB O=C(Nc1ccccc1N1CCCCC1)c1cccc2c(Br)cccc12 2220269 KECDWTVWPVTUAD-UHFFFAOYSA-N 409.327 5.845 0 40 HKAB CCCCCSc1nc2c(c(=O)n1CC(C)C)C1(CCCC1)Cc1ccccc1-2 2252806 KUNOFBPPHZKFKQ-UHFFFAOYSA-N 410.627 6.217 0 40 HKAB Brc1cccc(-c2nnc(SC(c3ccccc3)c3ccccc3)o2)c1 3094670 WWMVLDWEOZIALX-UHFFFAOYSA-N 423.335 6.381 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 3300387 OWBZOSSNDGCHCL-GOSISDBHSA-N 415.489 5.227 0 40 HKAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)c2ccccc21 3337098 NWUVBDCYVYYFIG-OAQYLSRUSA-N 416.304 5.155 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Nc1ccccc1F)CC2 3434503 ZXCSOCGDRAEIPJ-NRFANRHFSA-N 412.486 5.084 0 40 HKAB Cc1ccc(-c2csc(N(Cc3ccccc3)C(=O)c3cccc(Cl)c3)n2)cc1 4214808 LIHVPQHOWHBHNP-UHFFFAOYSA-N 418.949 6.619 0 40 HKAB CSc1ccccc1-c1nnc(NC(=O)c2sc3ccccc3c2Cl)o1 4585563 BBWGFMUOLMTJCT-UHFFFAOYSA-N 401.900 5.579 0 40 HKAB O=C(CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12)Nc1ccc(Cl)cc1 4734475 DUCOIFRORSZMIA-HSZRJFAPSA-N 415.880 5.005 0 40 HKAB Cc1cccc(-c2ocnc2C(=O)Nc2ccccc2CN(C)C2CCCCC2)c1 5001987 PDZWGMUHAXEMFJ-UHFFFAOYSA-N 403.526 5.667 0 40 HKAB CCCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21 5030269 LUPORGBZCQSSOW-UHFFFAOYSA-N 420.513 5.253 0 40 HKAB COc1ccc(/C=C/c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1 5235213 IZGJGSSQTNDYJK-MDWZMJQESA-N 409.316 6.570 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(C)c(C)c4)c(C)s3)C(=O)[C@@H]21 5795196 SOLLMDNHUHVKOG-HNJRGHQBSA-N 406.551 5.217 0 40 HKAB CCOc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C)cc1 5953691 PWFHNBMMBMGPDN-UHFFFAOYSA-N 407.322 6.076 0 40 HKAB CCc1ccc(-c2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)cc1 6124572 XVKINZMQRNJOEP-UHFFFAOYSA-N 412.558 6.533 0 40 HKAB Cc1ccc(-c2nc(C(=O)NCCCc3ccccc3)cc3c2[nH]c2ccccc23)cc1 6173659 XEHGDJBUDNEFRK-UHFFFAOYSA-N 419.528 6.054 0 40 HKAB biogenic COc1ccc(-n2c(S[C@H](C)C(=O)c3cc(C)ccc3C)nc3ccccc32)cc1 6565305 IGBZVBJNUIRYKQ-GOSISDBHSA-N 416.546 6.014 0 40 HKAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(Cl)cc1Cl 6885822 MUEHQAFQPMLDNA-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1nnc(-c2ccccc2)o1 6938134 YMIRMODDQOUMCI-OAHLLOKOSA-N 419.554 5.683 0 40 HKAB CN(C)C(=O)[C@@H](Sc1nc(-c2cccs2)nc2ccccc12)c1ccccc1 7112208 JFOIUIBJWGLPPL-IBGZPJMESA-N 405.548 5.280 0 40 HKAB C[C@H](c1ccccc1)n1c([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 7542784 DDUVYYFAVPOMBO-MJGOQNOKSA-N 415.924 5.820 0 40 HKAB Cc1c(Sc2nn(-c3ccc(F)cc3)c(=S)s2)c(=O)[nH]c2ccccc12 7738372 FIMVLDMRXNFXSI-UHFFFAOYSA-N 401.513 5.104 0 40 HKAB C[C@H]1C[C@H](Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccccc2)C(=O)O1 8276100 TYVBTKKKOGUPTO-JXFKEZNVSA-N 421.566 5.087 0 40 HKAB Cc1cccc(-c2nnc([C@@H](C)Sc3nnc(C4CC4)n3-c3ccccc3)o2)c1 8405772 XVZOACWMURAXSM-OAHLLOKOSA-N 403.511 5.356 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3nc(SCc4ccccc4)sc3c2)cc1 8673817 ROABIVHAPCJIGI-UHFFFAOYSA-N 420.559 6.240 0 40 HKAB C[C@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1ccc2ccccc2c1 8900157 XCVNBHNDONOPFR-IBGZPJMESA-N 424.500 5.348 0 40 HKAB O=C(Cc1ccccc1)Nc1sc(NC(=O)c2ccccc2)nc1-c1ccccc1 9048382 AXOCRDUIDZDXKY-UHFFFAOYSA-N 413.502 5.244 0 40 HKAB CCc1cccc(CC)c1NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 9063700 XMRMWMKPWOTSQQ-UHFFFAOYSA-N 402.941 5.455 0 40 HKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc(Cl)cc1Cl 9426117 GKUVCAIWQIVBOQ-UHFFFAOYSA-N 419.264 5.165 0 40 HKAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)s1 9741466 MHKHVOVSFMOLRV-OAQYLSRUSA-N 414.933 5.721 0 40 HKAB CCc1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3ccccc3SC)nc12 10881857 NAVWYPDWDFBXHL-MRXNPFEDSA-N 412.580 5.406 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc(Cn2cncn2)cc1 11216352 BYMLZSDXXTUFJU-UHFFFAOYSA-N 404.857 5.024 0 40 HKAB Cc1ccccc1C1(O)CCN(Cc2c(-c3cccs3)[nH]c3ncccc23)CC1 12253058 JYWWDYNANOKPPJ-UHFFFAOYSA-N 403.551 5.083 0 40 HKAB COc1ccc(Cl)cc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 12756782 JESIGUAVVRLOFQ-UHFFFAOYSA-N 423.321 5.219 0 40 HKAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 12844413 SXDPVHWXDFDBTH-TXEJJXNPSA-N 415.506 5.106 0 40 HKAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1c(Cl)cccc1C(F)(F)F 12896786 COQPIWDMMVGYAM-UHFFFAOYSA-N 412.795 5.186 0 40 HKAB COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN23)cc1OC 13616369 CSVIORRTOUEWIP-YKSBVNFPSA-N 420.896 5.600 0 40 HKAB Cc1ccc(CSc2ncc(Cl)c(C(=O)Nc3ccccc3Cl)n2)cc1 13625002 DXWDXSWGBISOAP-UHFFFAOYSA-N 404.322 5.636 0 40 HKAB FC(F)(F)c1cc(-c2cccs2)nc2cc(-c3nc(-c4ccccc4)no3)nn12 13644845 CCYVTSDJKBGHRH-UHFFFAOYSA-N 413.384 5.194 0 40 HKAB Cn1c(-c2ccccc2)c([C@@H]2c3ccccc3C(=O)N2C[C@H]2CCCO2)c2ccccc21 13942410 XXIOKGIROTXMJU-HRFSGMKKSA-N 422.528 5.570 0 40 HKAB CCOc1cc(C(=O)Nc2ccccc2Cl)ccc1OCCOc1ccccc1 14372933 AWIUFNKEOHOBPX-UHFFFAOYSA-N 411.885 5.449 0 40 HKAB Cc1ccc(Sc2ccc(NC(=O)c3cccc(S(C)(=O)=O)c3)cc2)cc1C 15980689 AESFLCNVUUYEIH-UHFFFAOYSA-N 411.548 5.110 0 40 HKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 16310825 QHWONMQORWALDD-LJQANCHMSA-N 418.562 5.087 0 40 HKAB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=S)NC(=O)C(C)C 17092911 CWPBPSSMMCWLJQ-UHFFFAOYSA-N 422.337 5.579 0 40 HKAB CCOc1ccccc1NC(=O)CSc1nccn1-c1cccc(C(F)(F)F)c1 17316020 VVBLGVFNBVOJNL-UHFFFAOYSA-N 421.444 5.021 0 40 HKAB COc1ccc(CC(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1F 19691243 AVOROWXHCHRAPG-HSZRJFAPSA-N 422.475 5.250 0 40 HKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 20489851 DONCUDFNPDYVHO-HSZRJFAPSA-N 416.521 5.030 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 21894775 SFJDVBSJWPBHRQ-GOSISDBHSA-N 422.868 5.205 0 40 HKAB CC(C)OCCCNC(=O)c1sc2cccc(F)c2c1COc1ccccc1 22698768 NALHTZVGWZHRGW-UHFFFAOYSA-N 401.503 5.164 0 40 HKAB O=C(c1cc2ccccc2o1)N(CCn1cccn1)c1nc2c(Cl)cccc2s1 23144761 OWFBQUAGOWIGII-UHFFFAOYSA-N 422.897 5.239 0 40 HKAB O=C(NCc1coc(-c2cccs2)n1)c1cc(-c2ccco2)nc2ccccc12 26064700 CTJVSSLZFNIVMF-UHFFFAOYSA-N 401.447 5.141 0 40 HKAB Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3)c3c[nH]c4ccccc34)c(C)c2cc1C 28287913 IUEIRYBRVJSDEK-QHCPKHFHSA-N 422.528 6.401 0 40 HKAB CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCCCC2)cc1 28292439 PCRQNFGPZIKIIN-VWLOTQADSA-N 408.586 5.554 0 40 HKAB O=C(CSc1ccc(-c2ccc(Cl)cc2)o1)N(c1ccccc1)c1ccccc1 28527623 KNGDCNXZYYCOEX-UHFFFAOYSA-N 419.933 7.057 0 40 HKAB CCCCC(=O)Nc1ccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1OC 32115201 NHMYDURASXYMOT-UHFFFAOYSA-N 418.921 5.112 0 40 HKAB Clc1cccc(Cl)c1Cn1c(-c2c(Cl)cccc2Cl)nc2ccccc21 32664123 WHYBHEKNYGPGLE-UHFFFAOYSA-N 422.142 7.365 0 40 HKAB COc1cccc(-c2csc(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)n2)c1 33171484 RWHDZIJMMUXTIH-UHFFFAOYSA-N 417.412 5.478 0 40 HKAB Cc1ccc(NC(=O)N(Cc2ccco2)Cc2cc3cccc(C)c3nc2Cl)cc1 35312293 FTBXSUWYGJYKNF-UHFFFAOYSA-N 419.912 6.332 0 40 HKAB Cc1nc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)sc1C 39979998 XFLFGFILCWEXRA-FQEVSTJZSA-N 423.582 5.193 0 40 HKAB COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2OCC(F)(F)F)o1 40132372 ICEJVYVGUBIGHX-UHFFFAOYSA-N 421.371 5.061 0 40 HKAB CCCOc1ccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1OCCC 48332065 FTDAWPMHQMINPC-UHFFFAOYSA-N 424.541 5.391 0 40 HKAB CC(C)CC(=O)Nc1cccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)c1 57315704 REDNVKJTHBKWDR-UHFFFAOYSA-N 410.558 5.765 0 40 HKAB COc1ccc(OC)c(-n2c(SCc3ccc(C)cc3)nc3ccccc3c2=O)c1 67258939 SDCJVVZDLOUWSC-UHFFFAOYSA-N 418.518 5.004 0 40 HKAB O=C(CCCc1ccccc1)N1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 72359162 MMZSEDOLUXADBA-OAQYLSRUSA-N 403.501 5.012 0 40 HKAB COCc1ccc([C@@H]2CCCN2C(=O)c2sc(-c3ccccc3Cl)nc2C)o1 97147868 LXTUYTRCXVOOLP-KRWDZBQOSA-N 416.930 5.489 0 40 HKAB Cc1ccccc1C(=O)N1C(=S)N(c2ccccc2)[C@@]2(C)C[C@H]1c1ccccc1O2 101269549 AAEDMJJVGWGBIF-SQJMNOBHSA-N 414.530 5.482 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 103718424 FFGUOHOZJOPHLA-VIFPVBQESA-N 418.107 5.292 0 40 HKAB CC(=O)O[C@@H](C)[C@H]1[C@H](OC(C)=O)C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118927125 IZBSXDTURZCMRK-CRWMONLTSA-N 404.591 5.529 0 40 HKAB O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(F)cc1Cl 215143483 BRIBXMNPXLHZQQ-VIZOYTHASA-N 415.795 5.734 0 40 HKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 216260225 DYVRLOTYGCATKG-AUJBFMOVSA-N 417.593 6.567 0 40 HKAB Cc1cccc(CCCNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 218883761 DQXMTYOOGXEDQI-UHFFFAOYSA-N 418.375 5.183 0 40 HKAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C 224364482 LRALFZMDOAFQJQ-ZEQRLZLVSA-N 418.610 5.820 0 40 HKAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccc(Cl)cc1 224502378 JBXQIJOTWBNPHZ-UHFFFAOYSA-N 409.913 5.590 0 40 HKAB O=S(=O)(O)c1ccc2nc(-c3ccc(-c4ccccc4)cc3)[nH]c3cccc1c23 226249397 OUBJZTIQWABTFR-UHFFFAOYSA-N 400.459 5.297 0 40 HKAB CCOc1ccc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)cc1OCC 408807942 IKLNGYNZRFVLFG-UHFFFAOYSA-N 417.938 5.209 0 40 HKAB COc1cc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)ccc1O 408816428 YRMPRZJNMFESQP-ONZKLQKXSA-N 423.558 5.455 0 40 HKAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)C1c2ccccc2Oc2ccccc21 618256663 VQNBUWZEPKGJDD-OAQYLSRUSA-N 411.457 5.034 0 40 HKAB Cc1ccc(NC(=O)c2c(NC(=O)c3ccccc3)sc3c2CC[C@@H](C)C3)cc1 659396 OHEZSDKNIZWVOT-MRXNPFEDSA-N 404.535 5.686 0 40 HKAB Cn1c(COc2ccc(C3CCCCC3)cc2)nn(CN2CCCCC2)c1=S 706647 XEKBYCPBOTYGRI-UHFFFAOYSA-N 400.592 5.021 0 40 HKAB CCOc1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)cc1 948247 SFHFFBKUHWRHMB-UHFFFAOYSA-N 403.301 5.224 0 40 HKAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 1253184 NGAQDIKESFQBGS-UHFFFAOYSA-N 415.902 5.093 0 40 HKAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cc(C(C)C)ccc3C)c3ccccc32)o1 1320452 YDIOFZALMPVJPK-AREMUKBSSA-N 417.505 5.027 0 40 HKAB Cc1cccc2cc(CN(Cc3cccs3)C(=O)Nc3ccccc3)c(=O)[nH]c12 1378194 PCMHQEGZBAGAGO-UHFFFAOYSA-N 403.507 5.132 0 40 HKAB O=C(Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O)Sc1ccccc1 1391192 RGPHNZCTNXSIEG-UHFFFAOYSA-N 405.306 5.528 0 40 HKAB Clc1ccc(COn2c(-c3ccccc3Cl)nc3ncccc32)c(Cl)c1 1400245 URXPDOWCGFGTRP-UHFFFAOYSA-N 404.684 5.687 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccccc1F 1509526 WZFKAIFKEZYWSR-UHFFFAOYSA-N 402.450 5.433 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Br)cc1Br 1776089 PLERVVLWHKVLKX-FPYGCLRLSA-N 416.496 5.484 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(F)c4)c3)nc2c1 1850343 MGPVPRBFERDBIF-AWEZNQCLSA-N 422.887 7.053 0 40 HKAB CCCc1ccc(C(=O)[C@H](C)OC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1 2655999 LKWZTTUWOTYRQE-KRWDZBQOSA-N 424.928 5.274 0 40 HKAB Cc1sc2ncn3nc(-c4ccc(COc5ccc6c(c5)CCC6)o4)nc3c2c1C 2790050 NHPOLWHJVRFBIK-UHFFFAOYSA-N 416.506 5.284 0 40 HKAB CCOc1ccc([C@H]2C[C@H](c3ccc(OC(F)F)cc3)n3ncnc3N2)cc1Cl 2918182 SCRBMSSODOZNTF-IAGOWNOFSA-N 420.847 5.078 0 40 HKAB CCc1sc(-c2cc3ccc(OC(C)=O)cc3oc2=O)nc1-c1ccc(C)cc1C 2964216 MTOVCMRHGQVUKZ-UHFFFAOYSA-N 419.502 5.688 0 40 HKAB Cc1cccc(C)c1NC(=O)C1(NC(=O)Cc2ccccc2)CCC(C(C)(C)C)CC1 3108292 XOJONWICUBZCDD-UHFFFAOYSA-N 420.597 5.576 0 40 HKAB Cc1cc(NC(=O)/C(=C/c2cccs2)c2ccc(F)cc2)n(-c2ccccc2)n1 3215458 UZNNVQYZUQEJEO-RCCKNPSSSA-N 403.482 5.561 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1ccc2c(c1)OCCO2)c1ccccc1 3297486 LCLKZFFKDBCNSY-XMMPIXPASA-N 401.487 5.655 0 40 HKAB Clc1ccc(Cl)c(Oc2ccc(Oc3nc(Cl)ccc3Cl)cc2)n1 3311582 MRNRDFOQXNZICL-UHFFFAOYSA-N 402.064 6.675 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 3655477 AECJWWCYDNXNAV-MRXNPFEDSA-N 417.436 5.517 0 40 HKAB C[C@H]1CCc2sc(NC(=O)c3cccc(Oc4ccccc4)c3)c(C(N)=O)c2C1 4177466 XNPFSFWWCXUOLG-AWEZNQCLSA-N 406.507 5.016 0 40 HKAB CCN(CC)CCN(C(=O)c1c(F)cccc1F)c1nc2c(C)c(C)ccc2s1 4359496 ZPRFKYONRONXKR-UHFFFAOYSA-N 417.525 5.180 0 40 HKAB Fc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3)C2)cc1 4360932 SJUSOLHHADSRHT-OAQYLSRUSA-N 402.366 6.339 0 40 HKAB CC[C@@H](c1nnc(SCc2cccc3ccccc23)n1Cc1ccccc1)N(C)C 4494453 XDWSAKVQMIDCBM-QHCPKHFHSA-N 416.594 5.785 0 40 HKAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc(C)c4)=NN32)cc1OC 5163608 LLRGKPJWNBLBNQ-PXDATVDWSA-N 400.478 5.255 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1Cl 5219701 UYLGNPCSZOYGOQ-UHFFFAOYSA-N 415.946 5.727 0 40 HKAB CCOc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1 5460664 DRZDJOJFYKJFFQ-JTHBVZDNSA-N 403.913 6.235 0 40 HKAB Cc1c(C(=O)NCc2ccccc2)c2ccccn2c1C(=O)c1ccc(Cl)cc1 5724456 HZCIGKOREFXBRI-UHFFFAOYSA-N 402.881 5.062 0 40 HKAB COc1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 6128255 QOTZKJJQNUHQJQ-UHFFFAOYSA-N 402.881 5.494 0 40 HKAB CC(C)(C)c1ccc(OCCOc2ccccc2-c2nc3ccccc3s2)cc1 6323535 WMIRIPNWRMIRHT-UHFFFAOYSA-N 403.547 6.719 0 40 HKAB COc1ccccc1/C=C(/C(=O)OCC(=O)c1c(C)cc(C)cc1C)c1ccccc1 6418505 HOOAZAMZMIMNEN-XQNSMLJCSA-N 414.501 5.587 0 40 HKAB CSCC[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)o1)c1nc2ccccc2[nH]1 6664318 BPQUVIORTJNDME-SFHVURJKSA-N 409.486 5.186 0 40 HKAB O=C(c1ccccc1Br)N(Cc1ccco1)Cc1ccccc1Cl 6810611 SECCSAOMFLYHNI-UHFFFAOYSA-N 404.691 5.538 0 40 HKAB COc1ccc(Br)cc1C(=O)Nc1nc2cc(Cl)c(C)cc2s1 6826364 SZFWOAUJJRIHFC-UHFFFAOYSA-N 411.708 5.282 0 40 HKAB CCc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1=O 7543246 LWEVBHAXKHHLJG-HSZRJFAPSA-N 423.560 5.784 0 40 HKAB Cc1cc(C)nc(SCC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)n1 7779988 NWYJFGVDFWNFLT-UHFFFAOYSA-N 406.555 5.371 0 40 HKAB CC(C)[C@@H](NC(=O)/C=C/c1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCCO2 7781384 KIKKXRWEBQURJR-NOUTYMABSA-N 419.443 5.393 0 40 HKAB Nc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2nc(-c3ccncc3)ccc12 9380736 HIVLTBKWCUBEQJ-UHFFFAOYSA-N 414.412 5.212 0 40 HKAB O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC[C@H]1c1nc2ccccc2s1 9516638 MHUNSYYCOWSBLP-FQEVSTJZSA-N 420.509 5.992 0 40 HKAB C[C@@H](NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)c1cccs1 12567857 KMYNRXLQTWHNLR-KDOFPFPSSA-N 413.930 5.023 0 40 HKAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)c1 12772581 PIKQNAQQYATXDA-UHFFFAOYSA-N 418.522 5.504 0 40 HKAB Cc1ccccc1N1CCN(C(=O)c2csc(-c3ccc(C(C)C)cc3)n2)CC1 12793184 KOUVKOAQWDCYRK-UHFFFAOYSA-N 405.567 5.204 0 40 HKAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=S)Nc1ccc(Cl)cc1Cl 13686878 SECHNLXDFGYFOW-HNAYVOBHSA-N 406.382 5.307 0 40 HKAB COc1cc(COc2ccc(C)c3c2C(=O)C[C@@H]3C)c(OC)cc1Br 14810020 AIPGTOYNXJADAP-LBPRGKRZSA-N 405.288 5.044 0 40 HKAB COc1cc(OC)c([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1OC 15016169 LHZSDJAGDKHODQ-UZUQRXQVSA-N 422.506 5.016 0 40 HKAB Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)n1 17052634 FJABKYJXZJXVKV-UHFFFAOYSA-N 415.541 5.388 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C(C)=O)CC[C@@H](C(C)(C)C)C2 17092059 SKMFFYRYIZUULV-CYBMUJFWSA-N 419.974 6.016 0 40 HKAB O=C(NC1CC1)[C@@H](Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 17726810 BTJPCIDYCGJXAG-INIZCTEOSA-N 403.322 5.123 0 40 HKAB CC(C)Nc1ncc(-c2cccnc2)c(C2CCN(Cc3ccc(F)cc3F)CC2)n1 19450332 MSRIIFKUTFEGMV-UHFFFAOYSA-N 423.511 5.017 0 40 HKAB CNc1nc(C)c(C(=O)N2CCC[C@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)s1 19692057 OVQDWVUXYNNQRR-NRFANRHFSA-N 420.582 5.073 0 40 HKAB O=C(NCCCc1ccccc1Cl)c1ccc(CN2CCCc3ccccc32)cc1 20452341 WVZTXKSANKYGLB-UHFFFAOYSA-N 418.968 5.655 0 40 HKAB COc1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OC 20495590 IHUFVSQBNYJFLS-UHFFFAOYSA-N 411.885 5.721 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1 20971633 KOUKMGCAHHKUIB-UHFFFAOYSA-N 423.266 5.518 0 40 HKAB Cc1oc(-c2cccs2)nc1CS[C@@H](C)C(=O)NCc1ccccc1Cl 23886050 WTTFVOWUKJRCPY-ZDUSSCGKSA-N 406.960 5.303 0 40 HKAB COc1ccc([C@H]2CCCN2C(=O)c2cc3cc(Cl)ccc3nc2C)cc1OC 25617673 PFYAPILNQPSIHG-HXUWFJFHSA-N 410.901 5.191 0 40 HKAB COc1ccc(-n2c(SCc3cccc(Cl)c3)nc3ccccc3c2=O)cc1 28380859 IDEMERGUDOZQSW-UHFFFAOYSA-N 408.910 5.340 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC(CCc2ccc(C)cc2)CC1 32857590 IKXINGBWGSNPNL-AREMUKBSSA-N 416.565 5.130 0 40 HKAB COc1cccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c1 33652428 RZYHESKNHOODOL-UHFFFAOYSA-N 405.837 5.374 0 40 HKAB CSc1ccc(C(=O)N(CCn2nc(C)cc2C)c2nc3ccccc3s2)cc1 35597611 IYPTZZLRIHRVMO-UHFFFAOYSA-N 422.579 5.179 0 40 HKAB CC(C)c1ccccc1NC(=O)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F 36616144 LPCSEBIYSPRLPH-UHFFFAOYSA-N 414.484 5.813 0 40 HKAB O=C1C[C@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1ccc(Cl)c(Cl)c1 36635909 OWHHWLHAWPUUIE-ZDUSSCGKSA-N 404.080 5.044 0 40 HKAB COc1cccc(CN2C(=O)C(O)=C(c3ccc(F)cc3)[C@H]2c2ccccc2F)c1 40485816 PPMJLNOAXNWANV-JOCHJYFZSA-N 407.416 5.026 0 40 HKAB Cc1noc(C)c1CC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCC[C@H](C)[C@@H]1C 58165822 XTIMGIRHXULJEU-DGCWBMGLSA-N 406.929 5.480 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)c(Cl)c2)cc1 67297745 KOBDTSYBQXSJTF-PNHLSOANSA-N 418.880 5.888 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2Oc2ccccc2)cc1 72212237 XLVYWLLUTYLFNM-JOCHJYFZSA-N 408.523 5.098 0 40 HKAB COc1ccccc1Cc1cccc(C2CCN(C(=O)CCc3ccccc3)CC2)n1 72349054 NYQTYHVMCYFPEQ-UHFFFAOYSA-N 414.549 5.020 0 40 HKAB FC(F)(F)c1nnc(C2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)o1 77198052 POEGZQGQSIGINU-UHFFFAOYSA-N 417.431 5.047 0 40 HKAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCCc1cn(C)c2ccccc12 96221795 RVGZMRURCAZOKC-QHCPKHFHSA-N 415.537 5.185 0 40 HKAB biogenic CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@@H]1c1ccco1 100429241 YHEYBFZIYBBNIO-DWXRJYCRSA-N 412.489 6.240 0 40 HKAB COc1ccc(-c2cs/c(=N/c3ccccc3)n2CCCOC(C)C)cc1Cl 101513987 FYWUZNNLZCCKII-ZNTNEXAZSA-N 416.974 5.926 0 40 HKAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@@H](c4ccc(SC)cc4)C3=C(O)C2)cc1 102566145 AZLNSUWXRNQUEJ-AOMKIAJQSA-N 418.522 5.074 0 40 HKAB COc1ccc([C@@H]2C3=C(O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)cc1 102664197 RPIXHMSOMGWMFB-QVKFZJNVSA-N 406.873 5.005 0 40 HKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 222935252 PGFBGLCKHYJJIB-XXBNENTESA-N 419.565 5.676 0 40 HKAB Fc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223107932 PVAKJDFGSSPBFD-XZOQPEGZSA-N 420.557 5.317 0 40 HKAB CCc1ccccc1NC(=O)c1ccc(OC)c(COc2ccccc2C(C)(C)C)c1 224168407 XANSHOUPIUWVKM-UHFFFAOYSA-N 417.549 6.386 0 40 HKAB O=C(COc1cccc2c1CCCC2)N[C@H]1CC2(CCCCC2)Oc2ccccc21 224358676 MWLOIAXMYZLTLF-QFIPXVFZSA-N 405.538 5.287 0 40 HKAB CCCCOCc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC 224438677 WVKHURCSEKFTIX-UHFFFAOYSA-N 419.521 5.843 0 40 HKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 224827969 UTPXUIAMHFDNDN-CYFREDJKSA-N 419.565 5.676 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(Cl)c3)o2)c1 224899477 UNVYMLNXPUBXMG-UHFFFAOYSA-N 404.853 5.923 0 40 HKAB CC[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc(OC)c(C)c1 225011278 IFCHBLBOYZXVNF-SFHVURJKSA-N 412.382 5.811 0 40 HKAB COc1cc2c(cc1S(=O)(=O)Nc1ccc3c(c1)oc1ccccc13)CCCC2 225150619 HUNUSCDFOGARSJ-UHFFFAOYSA-N 407.491 5.274 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(Br)c(C)c2)cc1 225498659 SZYUHOYCNFZPJX-IBGZPJMESA-N 421.404 5.840 0 40 HKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225735107 MCINQRBINYADGG-DEOSSOPVSA-N 404.595 5.111 0 40 HKAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccccc1Sc1ccccc1 225811391 LQDQLOCUHJCIAT-UHFFFAOYSA-N 403.425 5.874 0 40 HKAB S=C(Nc1ccc(OC2CCCC2)cc1)NC1(c2ccccc2Cl)CCCC1 225869016 FTBLZKIYFIHQGG-UHFFFAOYSA-N 415.002 6.417 0 40 HKAB Cc1cccc([C@H](NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)c1 225873403 PEWUSLZSOPRFJZ-HFZDXXHNSA-N 401.550 6.100 0 40 HKAB Cc1cc(CCCC(=O)N2CCC[C@@H]2c2ccc(Cc3ccccc3)cn2)ccc1F 257257171 KOIVKHGNMSHSTH-AREMUKBSSA-N 416.540 5.806 0 40 HKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260816851 RESNLXHLNWNLGN-HYBUGGRVSA-N 404.595 5.110 0 40 HKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260816855 RESNLXHLNWNLGN-YKSBVNFPSA-N 404.595 5.110 0 40 HKAB COc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1F 408555558 HDWKVVPEFNVVLA-UHFFFAOYSA-N 414.864 5.117 0 40 HKAB S=C(NCc1ccccc1Cl)c1cccc(OCc2ccccc2Cl)c1 408573255 JLSLWAYCKOECDB-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB S=C(NCCc1ccccc1)c1ccccc1OCc1ccc(Cl)c(Cl)c1 408575316 NTCXVIDYKDNFOL-UHFFFAOYSA-N 416.373 6.080 0 40 HKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccccc2Cl)cc1 408679986 XJVPUJZLZWRZIB-UHFFFAOYSA-N 402.881 5.067 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(C)c(C)c2)c1 408696949 COIDGBPIVXLUOU-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3)n2)c1 408699041 RAVGIGCRKMCTAZ-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 408734583 YTCUNJHKUXYDSQ-DEOSSOPVSA-N 402.494 5.645 0 40 HKAB COc1cc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1C 408812579 PCLQLAGOCCAFFK-GZABKKFDSA-N 421.586 6.058 0 40 HKAB Cc1ccc(COc2ccc(/C=C3/C(=O)N(c4ccccc4)C(=S)N3C)cc2)cc1 409030166 COKRVUBMWLGJON-KQWNVCNZSA-N 414.530 5.178 0 40 HKAB Cc1ccccc1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 409112483 CZSNPDKQCOLLBS-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB CCCN1C(=O)/C(=C\c2ccc(OCC)c3cccc(OCC)c23)c2ccccc21 409115061 GTUBRVMQNTUOAX-FXBPSFAMSA-N 401.506 5.934 0 40 HKAB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)c2ccccc21 409115550 MSCKSJCRZWLDHV-ZHZULCJRSA-N 403.453 5.320 0 40 HKAB CCCN1C(=O)S/C(=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2OC)C1=O 409358872 LVLPVIBXXWNMHG-SRZZPIQSSA-N 411.567 5.609 0 40 HKAB O=C(Nc1ccc(Br)cc1Br)c1ccc(Cl)cc1Cl 716736 FCXOYESSYJZCAL-UHFFFAOYSA-N 423.919 5.771 0 40 HKAB O=C1CS[C@H](c2ccc(Cl)cc2Cl)N1c1ccc(Br)cc1 850802 TWRCSHLJALVLBP-OAHLLOKOSA-N 403.128 5.535 0 40 HKAB CSc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(C)c2)cc1 851236 JCCANLTXZZMLLE-XQNSMLJCSA-N 416.546 5.435 0 40 HKAB Clc1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)c(Cl)c1 867602 BXGTZVRMWGSPDK-UHFFFAOYSA-N 402.306 6.126 0 40 HKAB CCOC(=O)c1c(C)n(CCOc2ccc(C)c(C)c2)c2c1cc(O)c1ccccc12 1100476 ZJSDVFWEGKFJII-UHFFFAOYSA-N 417.505 5.681 0 40 HKAB CC(=O)c1ccc(NC(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c23)cc1 1377370 RBXDVNBIPSYOKR-UHFFFAOYSA-N 411.552 5.119 0 40 HKAB FC(F)(F)c1cnc(Cc2ccc(Oc3ccc(Cl)nn3)cc2)c(Cl)c1 1389743 GQVJERFNOHZPRH-UHFFFAOYSA-N 400.187 5.580 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)Nc5cc(Cl)cc(Cl)c5)(C4)C2)C3)cc1 2026054 SHNWDDWANUDFGT-UPFYTXMWSA-N 414.376 6.779 0 40 HKAB Cc1cccc(NC(=O)c2cccc(COc3cc(Cl)ccc3Cl)c2)c1C 2105557 WSEZKRMJNOHTEJ-UHFFFAOYSA-N 400.305 6.442 0 40 HKAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1cccc(Cl)c1)CO2 2122739 XOVDHICPDVMCAN-UHFFFAOYSA-N 403.865 5.778 0 40 HKAB biogenic O[C@@H](CN[C@@H]1CCCc2ccccc21)COC(c1ccc(F)cc1)c1ccc(F)cc1 2654573 WMPTWWRNUHTWJI-UKILVPOCSA-N 423.503 5.099 0 40 HKAB Clc1cccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)c1 2714109 LXJCPXIVUVKUCD-UHFFFAOYSA-N 410.908 6.353 0 40 HKAB Cc1ccc(-c2nsc(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 2917468 AIHISQJIXOBUSK-UHFFFAOYSA-N 409.458 5.263 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)N(C)Cc4cccs4)cc3)sc2c1 3353394 BQUVOFPROLAGHZ-INIZCTEOSA-N 421.591 5.792 0 40 HKAB CC1=C[C@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@H](c3ccc4c(c3)OCO4)[C@@H]1[C@H]2C 4025924 FSFRMGYTTNBARV-JQECKAHISA-N 420.505 5.178 0 40 HKAB biogenic Cc1ccc(C)c(Cn2c([C@@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)c1 4033447 FVYJLQLRAHCONB-HXUWFJFHSA-N 413.496 5.361 0 40 HKAB CCc1ccc2nc(-c3cccc(C)c3)nc(SCC(=O)NC3CCCC3)c2c1 4184269 YVCJAIHBEDJTPD-UHFFFAOYSA-N 405.567 5.319 0 40 HKAB Fc1cccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)c1 4424243 KZRUWMSYXHVGOU-PXNSSMCTSA-N 413.246 5.424 0 40 HKAB Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC(F)F)cc2)cc1 4690068 RDTHNYVLAMQGSM-UNMCSNQZSA-N 410.395 5.669 0 40 HKAB Cc1ccc(C2=NC3(CCCC3)N=C2SCC(=O)Nc2ccc(C)c(C)c2)cc1 4891495 UJYACHKKRBKZEN-UHFFFAOYSA-N 405.567 5.455 0 40 HKAB CSc1ccc2nc(Nc3nc4ccc5sc(C)nc5c4s3)sc2c1 5122834 JCVXOGGNLIMJKH-UHFFFAOYSA-N 400.579 6.290 0 40 HKAB C[C@@H]1CCC2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@](O)(C(F)(F)F)[C@@H]2C1 5275003 TUYBBCIRRSHTAP-OMXAPOSASA-N 415.868 5.327 0 40 HKAB C[C@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1cccc2ccccc12 5382005 RAUWJGKLIMWTAU-KRWDZBQOSA-N 400.478 5.214 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)c1 5394557 BFOLGOCFCHAPPJ-UHFFFAOYSA-N 414.534 5.282 0 40 HKAB CCCCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2[C@H](C)CC)cc1 6240747 LXBLWDPMISAGGM-GOSISDBHSA-N 412.599 6.286 0 40 HKAB CCn1c(SCc2cc(=O)oc3cc(C)ccc23)nnc1-c1ccc(Cl)cc1 6606897 PIZQVKHNUDECPH-UHFFFAOYSA-N 411.914 5.326 0 40 HKAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)NC3CCCCC3)nc2c1 6609575 KCRCLYMVZMUZKF-UHFFFAOYSA-N 406.551 5.451 0 40 HKAB Cc1c(CCC(=O)Nc2nccs2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 6759997 RUAQNPYDWRWLLI-UHFFFAOYSA-N 410.495 5.173 0 40 HKAB CCOc1cccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 6964820 CYGZCQGNRFBCSN-UHFFFAOYSA-N 408.910 6.268 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2cccs2)cc1 6966136 OKRXHBVZLVRSEQ-RUZDIDTESA-N 410.542 6.422 0 40 HKAB Cc1ccc(NCc2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1C 6966694 JTQWXMPMZRFXTG-UHFFFAOYSA-N 408.929 5.895 0 40 HKAB C[C@@]12CC3CC(NCc4ccc(-c5ccc(Cl)cc5Cl)o4)(C1)C[C@](C)(C3)C2 7538780 ZQBVTANMNIGOLX-TURSSXEVSA-N 404.381 7.092 0 40 HKAB Cc1nc2ccc(C(=O)N3CCc4sccc4[C@H]3c3cccs3)cc2nc1C 8327233 NZRZQUVOKGUJLL-NRFANRHFSA-N 405.548 5.158 0 40 HKAB O=C1Nc2ccccc2/C1=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 9296332 IEPQENMABCSGCU-CXUHLZMHSA-N 414.263 6.204 0 40 HKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(CN2CCCC2)cc1 10338297 OWSWBMDFXYBONV-UHFFFAOYSA-N 402.563 5.827 0 40 HKAB COc1ccc(-c2ccc(C3=NNC(c4cccnc4)=Nc4ccc(F)cc43)cc2)cc1 12707537 LNRVDUWUAMHKPY-UHFFFAOYSA-N 422.463 5.330 0 40 HKAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1c(Cl)cccc1Cl 12758944 DIMCMJTZZSZHJL-NRFANRHFSA-N 417.361 5.641 0 40 HKAB Cc1nc2sc3c(c2c(-c2ccc(Br)cc2)c1C(N)=O)CCCC3 12865631 POUXYQPTIDOZFF-UHFFFAOYSA-N 401.329 5.012 0 40 HKAB O=C(c1ccc(Br)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 12925894 AUEGBCASXVAIGP-CQSZACIVSA-N 401.329 5.079 0 40 HKAB CCCCCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 16758072 IVTQNRCGMILNID-UHFFFAOYSA-N 421.997 7.332 0 40 HKAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc(Cl)c1Cl 17088751 LBWDIDDOBDEABT-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB Cc1cccc([C@H]2CN(C(=O)C3CCCC3)[C@@H]3CCN(Cc4ccsc4)C[C@H]23)c1 19235249 KUPAFPQWHBQZHQ-WXFUMESZSA-N 408.611 5.063 0 40 HKAB Cc1nn(-c2nc3ccccc3s2)c2c1C(=O)C[C@H](c1ccc(C(C)C)cc1)C2 19817317 SZCZGQJYGRUTPF-GOSISDBHSA-N 401.535 5.827 0 40 HKAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1NCc1ccc(OC)cc1 19891672 BHQUQSAGQBSPOI-UHFFFAOYSA-N 404.388 5.051 0 40 HKAB O=C(N[C@@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 20509619 WILLTCIJEHCZPY-IBGZPJMESA-N 407.832 5.049 0 40 HKAB Cc1ccc2cccc(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)c2n1 20807978 GCEJDXQXVNCRSO-UHFFFAOYSA-N 406.441 5.569 0 40 HKAB CCN(CC)CCn1c(C)c(C)c2c1ncn1nc(-c3ccc(C(C)(C)C)cc3)nc21 21801841 ICGVCTZHPOVXMT-UHFFFAOYSA-N 418.589 5.002 0 40 HKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N1CCC(Cc2ccccc2)CC1 22245957 XCKUPNQVEKROQT-UHFFFAOYSA-N 409.530 5.429 0 40 HKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 22524045 UVSMCIIUPFEJAZ-LJQANCHMSA-N 416.521 5.146 0 40 HKAB Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2NCc2ccccc2)cc1 23114521 LEAYQAFQICTCGK-UHFFFAOYSA-N 406.482 5.127 0 40 HKAB O=c1c2c(-c3ccccc3)csc2ncn1Cc1ccc(OC(F)(F)F)cc1 24239831 GDALDQAVGPUCIE-UHFFFAOYSA-N 402.397 5.072 0 40 HKAB O=C(c1cc(Oc2ccc(-c3ccccc3)cc2)nc2ccccc12)N1CCOCC1 25067004 RXUJJOLSTHKPKL-UHFFFAOYSA-N 410.473 5.167 0 40 HKAB CCOP(=O)(OCC)[C@@H](/C=C(\Cl)c1ccc(Br)cc1)N(C)C 35185374 ZGLZTKBZSIIJCD-SZGZABIGSA-N 410.676 5.183 0 40 HKAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)CC1 38850695 ZDWRTBBHNNKKID-UHFFFAOYSA-N 414.549 5.750 0 40 HKAB O=C(NCc1ccccc1OC1CCCC1)NCc1ccccc1OC1CCCC1 58166619 YEEHACQPHDABMW-UHFFFAOYSA-N 408.542 5.329 0 40 HKAB O=c1c2ccccc2nc(SCc2ccc(F)cc2F)n1CCc1ccccc1 67259320 NJPLFWGTBHVECD-UHFFFAOYSA-N 408.473 5.210 0 40 HKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc(Cl)cc(Cl)c3)o2)cc1C 107702333 QDHQVSXKUBQLBD-UHFFFAOYSA-N 419.333 5.997 0 40 HKAB O=C(O)/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)Sc1nc2ccccc2o1 211500500 RGWLVNJEZPZTAY-WQRHYEAKSA-N 407.403 5.004 0 40 HKAB CC[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(C)cc1C 218858479 BJUXMQRUNLLKHF-QGZVFWFLSA-N 410.739 5.366 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1cccc(Cl)c1 222911877 FQLWOQQBSHTECO-NRFANRHFSA-N 420.018 5.845 0 40 HKAB COC(=O)c1cc2cc(NC(=O)CCc3ncc(-c4ccc(F)cc4)o3)ccc2s1 224864336 HRCRBXMAMSTBRS-UHFFFAOYSA-N 424.453 5.053 0 40 HKAB COC(=O)c1cc2cc(NC(=S)N[C@H](C)c3ccc(Cl)cc3)ccc2s1 225214142 GTEHCFNWOLPDCW-LLVKDONJSA-N 404.944 5.389 0 40 HKAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257273587 NHHFSWJVNFAVCH-NRFANRHFSA-N 423.875 5.517 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)C(=CC[C@@H]4[C@@H]4COC(=O)C4)[C@H]3CC[C@@H]2C1 263606863 RIXRDVKJMJLULT-UVXQYKMFSA-N 400.559 5.060 0 40 HKAB CCOc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 408619357 BKSFLJCECBEOME-CSKARUKUSA-N 402.277 6.304 0 40 HKAB CC1CCN(C(=O)Nc2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)CC1 408978180 KYXGXRFNVFBUCX-UHFFFAOYSA-N 424.508 5.018 0 40 HKAB COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3ccccc3)cc2)C1=O 409063705 BFKYHXCYFPJLSB-JCMHNJIXSA-N 417.486 5.515 0 40 HKAB COc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccccc2)cc1 409097470 IQKPUYFITLXARW-UHFFFAOYSA-N 401.535 5.668 0 40 HKAB CCc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 409099990 SQVOHWYWDZDAFC-UHFFFAOYSA-N 405.954 6.442 0 40 HKAB Clc1cccc(COc2ccc(CNc3ccccc3)cc2Br)c1 409110388 VPGNIRYTWYZWIS-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB COc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)ccc1C 409176015 WXUBMQDPQWIVHS-LICLKQGHSA-N 418.312 5.003 0 40 HKAB CC(=O)Nc1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)ccc1C 409180531 WMDOWAIXXWIOHZ-QHCPKHFHSA-N 421.880 5.388 0 40 HKAB CCOC(=O)c1nn(-c2cccc(Cl)c2)cc1C(=O)c1cccc2ccccc12 987930 IHPHSBCFTOTOGO-UHFFFAOYSA-N 404.853 5.087 0 40 HKAB Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)NCCC1=CCCCC1 995739 UDNOUPSSGDZQBB-UHFFFAOYSA-N 404.941 6.484 0 40 HKAB CCCCCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 1812980 MFRALUHXVYBMNR-UHFFFAOYSA-N 405.592 6.678 0 40 HKAB Cc1nc2sc(C(=O)N3c4ccccc4Sc4ccccc43)c(N)c2c(C)c1C 2151744 QVCMISSMLDBHAN-UHFFFAOYSA-N 417.559 6.247 0 40 HKAB Cc1cc(C)c2c(c1)-c1c(ssc1=S)C(C)(C)N2CC(=O)c1ccccc1 2270295 HXXWMEMEWHYHHO-UHFFFAOYSA-N 411.617 6.761 0 40 HKAB Cc1ccc(Cl)cc1N[P@@](=O)(OCC(F)(F)F)Oc1ccc(Cl)cc1 2290913 HFDUTRGOOSVFCA-RUZDIDTESA-N 414.147 6.480 0 40 HKAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1Cl 2377690 VZWKUMKUWQWBNE-CJAUYULYSA-N 402.258 5.079 0 40 HKAB COc1ccccc1Cn1c(-c2ccc(F)cc2)cs/c1=N\c1cccc(C)c1C 3257045 VOODRDDKCXELAZ-RFBIWTDZSA-N 418.537 6.262 0 40 HKAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2ccc3ccccc3n2)c2ccccc21 3329862 GJAFRPYZMAECIO-UHFFFAOYSA-N 420.468 5.433 0 40 HKAB Cc1ccc(NC2(c3nnnn3-c3c(C)cccc3C)CCC(C(C)(C)C)CC2)cc1 4043048 ONDZLWLIHSXNGO-UHFFFAOYSA-N 417.601 6.131 0 40 HKAB Cc1cccc(C)c1-n1nnnc1C1(Nc2cccc(C(F)(F)F)c2)CCCCC1 4115891 ALTJBSBWBAAWAS-UHFFFAOYSA-N 415.463 5.569 0 40 HKAB CC[C@@H]1[C@@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 4663287 ATZURZTXUAWVPY-CUHUQNRHSA-N 404.941 6.568 0 40 HKAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(OC)cc1 5100303 JOISNPIUMWBLJU-AYWVHJORSA-N 424.481 5.512 0 40 HKAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC(C)C)cc4)=NN32)cc1 5235399 QNHVIRAUOIERIW-AOYPEHQESA-N 414.505 5.725 0 40 HKAB S=c1n(CN2CC=C(c3ccccc3)CC2)nc(-c2ccco2)n1-c1ccccc1 5939240 ZMRNOJBNSDRVJL-UHFFFAOYSA-N 414.534 5.410 0 40 HKAB Cc1ccc2c(Cl)c(-c3nnc(-c4ccccc4Br)o3)sc2c1 6034448 HSMSSQYKZCLAMK-UHFFFAOYSA-N 405.704 6.343 0 40 HKAB COc1cc(C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OC 6145546 PTCSJYASFQATJQ-UHFFFAOYSA-N 405.075 5.025 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cccc2c(Cl)cccc12 6238132 SDCZPBDEHTZYCZ-UHFFFAOYSA-N 414.917 7.022 0 40 HKAB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1CCCCCCC1 6256624 OHHHVRVQRDTYIW-VWLOTQADSA-N 420.597 5.188 0 40 HKAB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(C)cc2C)s1 6319382 GNWADZSVBXHMMP-UHFFFAOYSA-N 414.556 5.028 0 40 HKAB CCn1c(COc2ccc3ccccc3c2C)nnc1SCc1ccc(C)cc1 6359451 XYHMDGBEQQZULN-UHFFFAOYSA-N 403.551 5.939 0 40 HKAB CSCC[C@@H](NCc1c(C)nn(-c2ccc(F)cc2)c1C)c1nc2ccccc2[nH]1 6652352 BDDRKOZXOSBHDD-JOCHJYFZSA-N 423.561 5.089 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(-c3nnc(SCC)n3C)cc2)cc1 6756931 RHRZERZGPRQPKO-UHFFFAOYSA-N 410.543 5.025 0 40 HKAB CCOc1ccc(CC(=O)Nc2nc3ccc4nc(SC)sc4c3s2)cc1 7614767 SZRMXLNYDRWWNE-UHFFFAOYSA-N 415.565 5.208 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(OCc2ccccc2Cl)cc1 7699657 BEVMPRAXFFUNJI-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB O=C(NC1CC1)c1cccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 8230924 MSSLTUDZRXALLS-UHFFFAOYSA-N 415.276 5.398 0 40 HKAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(CSc2ccccc2)cc1C 8478485 NTWYSNRRYWJXEM-QFIPXVFZSA-N 421.562 6.092 0 40 HKAB CCCOc1ccccc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 8560977 ICWVKBKVEZTROK-UHFFFAOYSA-N 402.519 6.313 0 40 HKAB CCN(CC)Cc1nc(NCc2nccc3ccccc23)c2c(C)c(C)sc2n1 9221149 XGBZXQRCEMIWSG-UHFFFAOYSA-N 405.571 5.310 0 40 HKAB O=C(c1csc(-c2ccc(F)cc2)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 9335696 REAHGBPFEUSVCN-OAHLLOKOSA-N 423.538 5.579 0 40 HKAB COc1cccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccccc2C)c1 9360377 OYRWFMJMUOOITA-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB Nc1c(C(=O)c2cccs2)sc2nc3c(c(-c4ccc(Cl)cc4)c12)CCCC3 9375512 ZTJSGRBDNQOHCK-UHFFFAOYSA-N 424.978 6.370 0 40 HKAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(-c3csc(C)n3)cc2)cs1 9494830 SAZKBQFIKKVRTG-UHFFFAOYSA-N 421.547 5.715 0 40 HKAB CCc1cc(Br)c2oc(-c3ccc(NC(=O)CC(C)C)cc3)nc2c1 10119748 UFJWKFGTWZTKOB-UHFFFAOYSA-N 401.304 5.804 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 10508525 SXFRDSDSECSCDJ-UHFFFAOYSA-N 410.861 5.187 0 40 HKAB Clc1ccccc1OCCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 12565400 GTWMNUWGALPNAV-UHFFFAOYSA-N 419.937 6.030 0 40 HKAB Fc1ccccc1OCCn1c(COc2ccc3ccccc3c2)nc2ccccc21 12970597 QEJAHKIFZJDVHI-UHFFFAOYSA-N 412.464 5.987 0 40 HKAB COCCn1c(SCc2coc(-c3ccc(C)cc3C)n2)nnc1-c1ccccc1 12983153 SECHHFGUIBJVIQ-UHFFFAOYSA-N 420.538 5.156 0 40 HKAB C[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(C(C)(C)C)cc1 13669560 MGVZGSCIMCYUMK-CQSZACIVSA-N 410.410 6.402 0 40 HKAB CC[C@H](C)N(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C(C)C)[C@H](C)CC 14249604 HCMQVTACAHDOSJ-CALCHBBNSA-N 418.607 5.052 0 40 HKAB O=C1N[C@@H](Nc2cccc(Cl)c2Cl)S/C1=C/c1cccn1-c1ccccc1 16524000 DAZXSKMLLUKLGS-KEWOFRHOSA-N 416.333 5.384 0 40 HKAB COc1ccc(-c2cc(O)nc(SCc3nc(-c4ccccc4)oc3C)n2)cc1 16840770 OCVFIZIMEIDYSR-UHFFFAOYSA-N 405.479 5.114 0 40 HKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cccc(Cl)c1 17087540 WXLUERCWQQJEOG-UHFFFAOYSA-N 406.869 6.026 0 40 HKAB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Br)o1 17090467 BLUCIYRNDYPVNW-UHFFFAOYSA-N 416.054 5.966 0 40 HKAB C[C@]1(C2CCN(C(=O)CC3CCCC3)CC2)CCCCN(Cc2ccccc2)C1=O 19744971 VXDMTCMVAWKPBR-AREMUKBSSA-N 410.602 5.024 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1Cl 20039914 MBBZOSRSWLYBOO-UHFFFAOYSA-N 414.933 5.001 0 40 HKAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 20044193 NHZUTGKLVFTQKT-GOSISDBHSA-N 407.535 5.702 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 20106786 UVBTZKVGINAXQH-RTWAWAEBSA-N 405.991 6.123 0 40 HKAB Cc1ccc(NC(=O)CSC2=NC(C)(C)N=C2c2ccc(Cl)c(Cl)c2)cc1 20152198 RWCCWHOKLUXVMQ-UHFFFAOYSA-N 420.365 5.611 0 40 HKAB CCC1=Nc2sc3c(c2[C@H](SCC(=O)c2ccccc2)N1)CC(C)(C)OC3 26802839 AEIFTZWDNNSWBW-IBGZPJMESA-N 400.569 5.257 0 40 HKAB O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1ccccc1 26893465 WCCLESANOMRKAG-UHFFFAOYSA-N 414.686 5.586 0 40 HKAB CCOc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 27989050 ONXFUIAZRPGUSS-HXUWFJFHSA-N 418.924 5.782 0 40 HKAB CC(C)CCn1c(SCc2noc(C(C)(C)C)n2)nc2cc(Cl)ccc2c1=O 28011283 QATVNLAQPORTMB-UHFFFAOYSA-N 420.966 5.069 0 40 HKAB CCOC(=O)c1cc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1Cl 30753320 SJJVGJLJDPFYGQ-AWEZNQCLSA-N 403.906 5.220 0 40 HKAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)CCC1CCCC1 32610201 VELZSBDSADVCHV-UHFFFAOYSA-N 409.452 5.464 0 40 HKAB CC(C)c1ccc(NC(=O)[C@@H]2CCCN(c3ncnc4c3oc3ccccc34)C2)cc1 33290459 PZVVNENIXVTVBM-GOSISDBHSA-N 414.509 5.355 0 40 HKAB CCc1cc(C(=O)Nc2cc(C)cc(C)c2)c2c(C3CC3)nn(Cc3ccccc3)c2n1 36621612 COVVCYOQAUOEOD-UHFFFAOYSA-N 424.548 5.789 0 40 HKAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)cc1F 67297322 FQYUFFJCOSFKHM-RFBIWTDZSA-N 416.452 5.682 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2ccc(CSCc3ccccc3Cl)o2)cc1 71008690 RTTHENQUBGFQSV-UHFFFAOYSA-N 414.914 5.577 0 40 HKAB C[C@@H]1CCCCN1c1cc(NC(=O)c2ccc(Br)cc2)c(Cl)cc1N 72229321 HWRYSZPVUJYXKQ-GFCCVEGCSA-N 422.754 5.316 0 40 HKAB COc1ccc(S(=O)(=O)c2cnc3cc(Cl)ccc3c2Cl)cc1Cl 72329812 DNPRDDJMZVAMAK-UHFFFAOYSA-N 402.686 5.036 0 40 HKAB COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)CCCc3ccccc3)C2)n1 72350359 VHXVWXLLGMXIPV-QFIPXVFZSA-N 414.549 5.486 0 40 HKAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)Cc4csc(C)n4)C3)c2)c1 72354117 FBLZZUZLAWPXIA-QFIPXVFZSA-N 419.594 5.003 0 40 HKAB Cc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2c2cc(Nc3nccs3)cc(C)n2)cc1 72372720 SSBYSAXAXMVTKU-OAQYLSRUSA-N 420.582 5.540 0 40 HKAB Cc1nc(CSc2ccc(C(=O)N3CC=C(c4cnccc4C)CC3)cc2)cs1 95464862 CSRFATVOVHJMIS-UHFFFAOYSA-N 421.591 5.377 0 40 HKAB O=C(NCc1cccs1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96037730 MFUUMZPFWYDDHY-UHFFFAOYSA-N 414.534 5.014 0 40 HKAB O=C(CCc1ccc(C(F)(F)F)cc1)N(CCc1cccs1)Cc1ccoc1 96120674 QDXSIAXCWPVSES-UHFFFAOYSA-N 407.457 5.564 0 40 HKAB COc1ccc2c(c1)CN(C(=O)Nc1cc(F)c(OC)c(F)c1)[C@@H](c1ccccc1)C2 97164665 JVOARQURGHPAAC-JOCHJYFZSA-N 424.447 5.314 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3nc(-c4ccc(C)cc4)oc3c2)cc1 98086909 SZNHWQVXCJIOCA-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 100081600 OQVMVLUBYGJINS-CIMSBJEKSA-N 417.508 5.106 0 40 HKAB Cc1coc2cc3oc(=O)c(CCC(=O)N4C[C@]5(C)C[C@@H]4CC(C)(C)C5)c(C)c3cc12 100789109 XCLMNFANGATWRU-MRDQGFSESA-N 421.537 5.516 0 40 HKAB C[C@]12CC3CC(NC(=O)c4sc5cc(Cl)ccc5c4Cl)(C1)C[C@](C)(C3)C2 101195934 FRHBPEYZUKNHLN-IWESNAMVSA-N 408.394 6.687 0 40 HKAB OC1=C2C(=Nc3ccccc3S[C@@H]2c2ccc(-c3ccccc3)cc2)c2ccccc21 101424505 BUEOJDXJNGCNTA-MUUNZHRXSA-N 417.533 7.604 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)c2C(=O)OC)C1 102024650 VCKNNLPQBAONOU-KCYZZUKISA-N 403.588 5.451 0 40 HKAB COc1ccc([C@H]2CC3=Nc4nc5ccccc5n4[C@@H](c4ccco4)C3=C(O)C2)cc1 102580794 CKHGRVWZCFELCM-FYSMJZIKSA-N 411.461 5.703 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](N)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118922666 WLHQSAYHIOPMMJ-JNYJZVOVSA-N 401.679 6.326 0 40 HKAB O=C(c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)N1CCCc2ccccc21 219961927 JHLJPQQGZVHIMR-UHFFFAOYSA-N 424.588 5.734 0 40 HKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(Sc4ccccc4)cc3)N21 222689049 LLTLVLQMZCXKKC-CDNPAEQRSA-N 417.603 6.212 0 40 HKAB O=C(NCc1ccccc1Cl)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 223078816 HIYZVZNVTIARKV-UHFFFAOYSA-N 422.887 5.002 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1C1CCCCC1 223081740 RKUOJEKHFPWLBT-DLBZAZTESA-N 422.417 5.211 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc(C)c1Cl 224139442 QFUBFSXDMHMWDT-KRWDZBQOSA-N 403.950 5.217 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cc2)cc1 224210479 KEEJAJKQDYIUNG-DQEYMECFSA-N 424.573 5.666 0 40 HKAB COc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)c2cccc(C)c2)cc1C(C)C 224457604 YLVWLFKPQMPWEF-RUZDIDTESA-N 423.578 5.503 0 40 HKAB CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccc(C)c(C)c1 224618047 BSWIJVCRWWSEGW-UHFFFAOYSA-N 407.554 5.901 0 40 HKAB CCCOCc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OCC 224708555 FLVBMXVRZBIAOD-UHFFFAOYSA-N 417.549 5.855 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1)c1ccccc1 224961121 ZSNTXHVOALUEFH-HXUWFJFHSA-N 412.533 5.628 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1OCC 224976516 RQTYFOBMPJRRHF-IBGZPJMESA-N 403.522 5.571 0 40 HKAB Cc1cccc(C2(NC(=S)Nc3ccc(N4CCCC4=O)c(C)c3)CCCC2)c1 225869448 NLAHSGYLAUEKRR-UHFFFAOYSA-N 407.583 5.186 0 40 HKAB CN(C(=O)C(F)(F)F)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br 226303070 BEVRGNKOMPBXDP-UHFFFAOYSA-N 416.281 5.442 0 40 HKAB Nc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3)o2)c(Br)c1 227148105 CNIXYWLNXHMTLR-RMKNXTFCSA-N 417.690 5.597 0 40 HKAB O=c1[nH]c2c(s1)[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2 245225864 VTAYVTORGQTMSX-VXCLMFOKSA-N 421.587 5.668 0 40 HKAB CCCCCCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccccc1 254505034 OIVYMCRURHNYKF-UHFFFAOYSA-N 405.394 7.336 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(Cl)c(Cl)c1 408574399 QFQHAKNOVCSGCJ-DHZHZOJOSA-N 417.317 5.780 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408674693 BHPDNMPMMDPSPX-UHFFFAOYSA-N 406.844 5.529 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(Cl)cc2)cc1 408696801 BZEXWDIZOYODDS-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c(C)c1 408729514 BYVMGMWCGHBMTG-QULSYZCUSA-N 407.513 5.048 0 40 HKAB CCc1ccc(-c2nc(Nc3cccc(Cl)c3Cl)sc2CC(=O)O)cc1 408880410 JSDXDYDRSXGOJS-UHFFFAOYSA-N 407.322 6.050 0 40 HKAB O=C1N/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)N1C1CCCCC1 409093159 YOIXDYRXVHMIJP-ZHZULCJRSA-N 410.901 5.144 0 40 HKAB Cc1ccccc1NCc1cc(Br)ccc1OCc1ccccc1F 409111614 BCPZCVNKRBARMF-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB Cc1ccccc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 409114011 PGJRHGKTSFJJPQ-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB COc1cc(-c2nc3ccccc3s2)ccc1OCc1ccc(Cl)c(Cl)c1 409188942 KYKPOUCTBJRXAK-UHFFFAOYSA-N 416.329 6.858 0 40 HKAB CC1=C(C(=O)OCC2CCCCC2)[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1 706470 RRIQTFUYTZJKQQ-HSZRJFAPSA-N 420.509 5.230 0 40 HKAB CC(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc3ccccc3oc2=O)cc1 1330078 WZVQKGZJSPFUHA-UHFFFAOYSA-N 401.462 5.352 0 40 HKAB COc1ccc(-c2nc(N3CCOCC3)sc2Sc2ccc(Cl)cc2)cc1 1390379 BODDSVNPPNDQKQ-UHFFFAOYSA-N 418.971 5.460 0 40 HKAB CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)N(CC)CC)ccc2c1=O 1448179 JAUQFXYSOGAXNC-UHFFFAOYSA-N 411.454 5.133 0 40 HKAB biogenic c1ccc(CN2CCN(Cc3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1 1671574 YUVNSJUFIXOJHN-UHFFFAOYSA-N 416.568 6.530 0 40 HKAB CC[C@@H](OC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)C(=O)c1ccccc1 2079110 JCQOZLMFXAJHFF-RUZDIDTESA-N 409.485 6.029 0 40 HKAB CCCCC(=O)N(c1nc(-c2ccccc2)c(CC)s1)c1ccccc1OCC 2170672 QUXNRGVQMLEBQO-UHFFFAOYSA-N 408.567 6.626 0 40 HKAB Cc1ccccc1C(=O)Nc1c(-c2ccccc2Cl)c(=O)c2ccccc2n1C 2218616 JXDQKGDWMPHDQD-UHFFFAOYSA-N 402.881 5.420 0 40 HKAB Clc1cccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2ccccc2)c1 2350292 FAYBZQHNFDXZQG-UHFFFAOYSA-N 409.714 6.827 0 40 HKAB Cc1ccc([C@@H](Nc2ccccc2)[P@@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 2371717 TXCZOZZUBXYZQI-QCDSWUKFSA-N 422.509 6.200 0 40 HKAB Cc1ccc(-c2c(NC(=O)C3CCCCC3)n(-c3ccc(C)cc3)nc(C)c2=O)cc1 2441889 OMSGFJJHOONXDJ-UHFFFAOYSA-N 415.537 5.344 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)sc2c1CC[C@H](C)C2 2734332 ZWMNDYQBRVWXTH-QWHCGFSZSA-N 421.946 5.109 0 40 HKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(NCc4cccnc4)ncnc32)cc1 2974797 WBLRUZAVSWTALX-UHFFFAOYSA-N 421.504 5.493 0 40 HKAB O=C(Nc1ccccc1)c1ccc(Oc2ccc(C(=O)Nc3ccccc3)cc2)cc1 3097270 HSCNWQLRONQATQ-UHFFFAOYSA-N 408.457 5.984 0 40 HKAB Clc1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(Cl)cc2Cl)c(Cl)c1 3214537 DXGIORKYIDHREV-HZPDHXFCSA-N 410.080 5.457 0 40 HKAB CC(C)(C)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 3221353 BRJLYQXKLPKJHL-UHFFFAOYSA-N 421.353 5.343 0 40 HKAB O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccccc1-c1ccccc1 3314000 KSPMWKRTNNPAKE-UHFFFAOYSA-N 424.595 5.681 0 40 HKAB COc1ccc(Oc2nc(C)nc3scc(-c4ccc(OC)c(OC)c4)c23)cc1 3427820 QSRQCPVUNRWWQJ-UHFFFAOYSA-N 408.479 5.485 0 40 HKAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12 4184226 PWESAGWCPCQBCM-HOTGVXAUSA-N 409.530 5.318 0 40 HKAB CC[C@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 4561733 RJDWQLQWIGSBFC-DPQOWFAMSA-N 400.522 5.924 0 40 HKAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2F)n2c(nc3ccccc32)N1 4767914 QQMUPJYHXXBFSY-JOCHJYFZSA-N 405.473 5.340 0 40 HKAB CN(CC(=O)Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)C1CCCCC1 4889632 MRIAMYXPXGQRNE-UHFFFAOYSA-N 410.583 5.061 0 40 HKAB CCCCOc1ccc([C@@H](O)CCCC[C@H](O)c2ccc(OCCCC)cc2)cc1 5003913 OLBQEBCWCIGCCI-UIOOFZCWSA-N 414.586 6.372 0 40 HKAB CCC(=O)N(CC[C@H](Cc1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccco1 5066967 XFWYSTAMSLBPNA-XMMPIXPASA-N 419.565 6.222 0 40 HKAB Cc1ccc(-n2c(N)c(-c3nc4ccccc4n3C)c3nc4ccccc4nc32)cc1 5207538 OIMGEMHPFCWAJS-UHFFFAOYSA-N 404.477 5.018 0 40 HKAB COc1ccc(-c2nc(C(=O)NCc3ccccc3)cc3c2[nH]c2ccccc23)cc1 5959602 GNIQPHYMZQEXEI-UHFFFAOYSA-N 407.473 5.322 0 40 HKAB biogenic COc1ccc(-c2nc(NC(=O)c3ccccc3Br)sc2C)cc1 6185548 HKEQLUOUYCFJPN-UHFFFAOYSA-N 403.301 5.142 0 40 HKAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1Br 6477381 MZNWOAYBYJOCNX-JTQLQIEISA-N 403.103 5.470 0 40 HKAB N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)C(=O)O 6578910 BCBSYXGYLMMICN-XMMPIXPASA-N 413.542 5.277 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3n2CCC(C)C)c1 6652498 FQPDIRWFMHMPGH-QGZVFWFLSA-N 409.555 5.404 0 40 HKAB Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)s2)c1 6787344 WRKHJSSVTNYPLE-KGLIPLIRSA-N 416.547 5.087 0 40 HKAB CCOc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 6965135 MYVOBLOVJNUFMD-RQZCQDPDSA-N 408.306 5.629 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)c1ccc(OCc2ccccc2Cl)cc1 7699524 NUTWQAKKIIPUAP-UHFFFAOYSA-N 413.904 6.838 0 40 HKAB O=C(CCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc(Cl)s1 8105551 DTWYSHFYQLVZOP-CYBMUJFWSA-N 418.971 5.380 0 40 HKAB CCC[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1 8189070 VQUDCUFYSLKRGD-BEFAXECRSA-N 420.538 5.356 0 40 HKAB COc1ccc(-n2nc(C)c([C@H]3C=C[C@@H](OC(=O)Nc4cccc(F)c4)C3)c2C)cc1 8624069 AWCHNZKGPIGVOG-HTAPYJJXSA-N 421.472 5.298 0 40 HKAB biogenic,in-vitro O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(Cc2c(F)cccc2Cl)CC1 9063719 RVBSYLORYSRFSE-UHFFFAOYSA-N 415.723 5.637 0 40 HKAB Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)n1 9192084 USKVFAOAHPBPTR-QHCPKHFHSA-N 424.500 5.544 0 40 HKAB CCn1c([C@@H](CCSC)NC(=O)c2ccc(C(C)(C)C)cc2)nc2ccccc21 12311347 JEGSQGJFUXOPOS-HXUWFJFHSA-N 409.599 5.578 0 40 HKAB COc1ccc(-n2c(SCc3cccnc3)nnc2-c2ccccc2)cc1Cl 12539387 HHYIJCFTQWZGNL-UHFFFAOYSA-N 408.914 5.284 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1cc(-c2ccncc2)nc2ccccc12 12603168 VGLZPLBGZJKKJT-UHFFFAOYSA-N 404.267 5.312 0 40 HKAB COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)Nc1cccc(Cl)c1 13584026 UYTMBDZMAAQTPK-UHFFFAOYSA-N 422.666 5.014 0 40 HKAB CCOC(=O)COc1ccccc1C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 15015951 AYASMAMFKIVFEY-UHFFFAOYSA-N 424.500 5.771 0 40 HKAB Brc1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1 19286101 SRJKADRHJLTNOK-UHFFFAOYSA-N 407.355 5.466 0 40 HKAB CCCC(=O)N1CCCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19501399 BKFQDNOACGTDLY-NRFANRHFSA-N 401.514 5.136 0 40 HKAB CC(C)c1ccc(NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1 19947622 JIWZPXIEQYPWGC-UHFFFAOYSA-N 422.550 5.029 0 40 HKAB COc1ccc(S[C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1OC 20108717 ODGPOVPAYNXBKP-MHECFPHRSA-N 421.562 5.399 0 40 HKAB O=C(CCSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccccc1 20120538 WUSAWKNZQRMDPT-UHFFFAOYSA-N 404.922 6.315 0 40 HKAB CC(C)C(NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)C(C)C 20239941 XVVPTDYIAVWOMV-UHFFFAOYSA-N 406.614 5.552 0 40 HKAB COc1ccc(SCC(=O)Nc2ccccc2SCc2ccsc2)cc1 21707743 FIRGUHSCKKUVJQ-UHFFFAOYSA-N 401.578 5.780 0 40 HKAB Cc1noc(C)c1COc1ccc(CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc1 22994024 NAKQXKZRNYOLIV-QGZVFWFLSA-N 418.493 5.379 0 40 HKAB FC(F)(F)c1cnc(-c2ccnc3cc(-c4ccc(Cl)cc4)nn23)c(Cl)c1 22996580 DOMYQDLWOIAJJX-UHFFFAOYSA-N 409.198 5.784 0 40 HKAB Cc1oc(-c2cccs2)nc1CS[C@H](C)C(=O)NCc1ccccc1Cl 23886047 WTTFVOWUKJRCPY-CYBMUJFWSA-N 406.960 5.303 0 40 HKAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc(C)n([C@@H](C)c2ccccc2)c1C 24975706 MXRJUTZRTHMRCD-FQEVSTJZSA-N 417.553 5.042 0 40 HKAB CCc1cc([C@@H](c2ccncc2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 27755721 QDWZKDRBEXLOQO-JOCHJYFZSA-N 405.567 5.533 0 40 HKAB CCc1cccc(C)c1NC(=O)CSCc1coc(-c2ccc(Cl)cc2)n1 31423708 XVEPCCJEVIJARV-UHFFFAOYSA-N 400.931 5.738 0 40 HKAB CCCC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3n2C(F)F)cc1 31781953 KSVZFWMQZWLTMY-UHFFFAOYSA-N 403.454 5.145 0 40 HKAB CSc1ccc(-c2noc(CSc3ccc(-c4ccccc4F)nn3)n2)cc1 33022150 OLYVAJLOKQJFPI-UHFFFAOYSA-N 410.499 5.347 0 40 HKAB Cc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3Cl)n2)cc1 33324963 AYTQSDGCWJQNBL-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CC(=O)c1cccc(N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c1 35040615 GBNYHPNAVWLDKO-CXUHLZMHSA-N 418.337 5.058 0 40 HKAB Cc1cccc(C2=N/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C(=O)O2)c1 35362007 AWHARVAXDVTOCW-STZFKDTASA-N 403.865 5.572 0 40 HKAB CCCn1c(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)nc2ccccc21 36611676 VXZNGSIRVMTRCN-UHFFFAOYSA-N 424.508 5.049 0 40 HKAB O=C(NCc1ccc(F)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 37547393 IHSWWYKRIKLKMP-UHFFFAOYSA-N 416.540 5.210 0 40 HKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 44948312 ZHBKHIAQLYLJLX-JOCHJYFZSA-N 409.913 6.545 0 40 HKAB COc1cccc(-n2c(SCc3ccc(C)c(C)c3)nc3ccccc3c2=O)c1 67259227 LGLXSAUONCHBDA-UHFFFAOYSA-N 402.519 5.303 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2C)c(C)c1 67297278 ZUFDOKOQLAAEFY-FVDSYPCUSA-N 416.908 6.496 0 40 HKAB Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)NC3CCCCC3)CC2)c1 72260005 BPYOMVXWGUNMOQ-VWLOTQADSA-N 405.586 5.053 0 40 HKAB CC(=O)OC[C@@H](OC(C)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118924933 RZMRLFZKLOVKNA-XGQRSAJTSA-N 404.591 5.530 0 40 HKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 216407877 WEQIXVNMRJMCRC-QHCPKHFHSA-N 408.542 5.162 0 40 HKAB CCc1ccccc1O[C@H](C)C(=O)NCCSCc1c(Cl)cccc1Cl 216426181 MCGPNHLDFGNHPF-CQSZACIVSA-N 412.382 5.373 0 40 HKAB CSc1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 218880964 BHBIATNAFYWLJT-UHFFFAOYSA-N 408.361 5.486 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1cccc(OC(C)C)c1 223028189 ROCHZHVMBYQCJH-JOCHJYFZSA-N 403.950 5.342 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1CSc1ccc(C)cc1 224664365 IIGFVFFXTCKIGH-UHFFFAOYSA-N 421.518 5.667 0 40 HKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)ccc1F 224889033 GNKGWPJWCIJMOJ-QZTJIDSGSA-N 403.935 5.421 0 40 HKAB CCOc1ccccc1NC(=S)NCc1ccc(OCc2ccc(F)cc2)cc1 225533383 DTTORLTUQVSNDV-UHFFFAOYSA-N 410.514 5.290 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(OC(C)C)cc1 225687975 YVVZYWAKEFEWIK-LJQANCHMSA-N 400.544 5.071 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c2ccccc12 225772985 NMODJXIVKBBWNI-HXUWFJFHSA-N 417.549 6.012 0 40 HKAB FC(F)(F)c1cc(NC(=S)NCCCc2cccc3ccccc23)ccc1Cl 225808590 GDYFUMVCYZSTNW-UHFFFAOYSA-N 422.903 6.431 0 40 HKAB Cc1cc(N)cc(Cl)c1NC(=O)/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 227146114 YUZGVVCOOMVIFP-SOFGYWHQSA-N 420.818 6.161 0 40 HKAB Cc1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1Cl 408624132 UPSOAIMEQUECEG-UHFFFAOYSA-N 423.299 6.043 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)cc1C 408695394 QJQCHHAYZCEJMR-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)c1C 408697791 JNKMUMHFAASQBM-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB O=C1N/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1c1cccc(Cl)c1 409073869 NTZWJTVHBVVULD-CIAFOILYSA-N 422.843 5.155 0 40 HKAB Cc1ccc(Cl)cc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1F 409120879 WWRCHLGPLLSLBI-UHFFFAOYSA-N 424.730 7.285 0 40 HKAB Cc1ccc(C2=Nn3c(COc4ccccc4)nnc3S[C@H]2c2ccccc2)cc1 409193450 CXVOAESSTNCEEE-QHCPKHFHSA-N 412.518 5.265 0 40 HKAB CC1(C)CCCN(Cc2cccc(F)c2)Cc2cccnc2Oc2ccccc2OC1 643567015 PPKUPYSOUMJPKP-UHFFFAOYSA-N 420.528 6.214 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4cccc(Cl)c4)sc3n2)c1 661290 IIBLJPLRMBFSAN-UHFFFAOYSA-N 409.898 5.460 0 40 HKAB CCCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(Cl)cc1 664088 IPWMXWBXBMVYEJ-UHFFFAOYSA-N 414.962 5.356 0 40 HKAB COc1ccc(OCCn2c(NC(=O)c3ccccc3Cl)nc3ccccc32)cc1 924125 COERLSVTECMDGQ-UHFFFAOYSA-N 421.884 5.030 0 40 HKAB COc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCCC2)cc1 935751 RTXMXQHCLOKAFG-NRFANRHFSA-N 410.539 5.404 0 40 HKAB Cc1ccc(S(=O)(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)cc1 1016810 OFAWMOKARVHIBU-JOCHJYFZSA-N 410.926 5.188 0 40 HKAB COc1cc(/C=C/C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1 1768531 MOTAVUMYSXADEJ-GXDHUFHOSA-N 421.924 6.196 0 40 HKAB Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2cc(Cl)cc3c2OCOC3)cc1 2191563 NQGMGSHWAVTDNY-UHFFFAOYSA-N 420.940 5.849 0 40 HKAB CCn1c(NC(=O)c2ccc(C)cc2)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 2242089 GNCFGFXUSOJAAD-UHFFFAOYSA-N 416.908 5.903 0 40 HKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCCCOc1ccccc1 2414385 DHJKQFNDVMMKKA-UHFFFAOYSA-N 418.924 5.966 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)c3cc(Cl)ccc3Cl)n2)c1 2639481 XEAQKAAWOJZHFI-UHFFFAOYSA-N 409.294 5.386 0 40 HKAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2c(-c3ccccc3)noc2C)c1Cl 2656546 RWGSHQAJJRQTJL-UHFFFAOYSA-N 419.264 5.061 0 40 HKAB COC(=O)c1c(NC(=O)c2cccc(Br)c2)sc2c1CCCCCC2 2741506 KFBSLFSNSQHCAR-UHFFFAOYSA-N 422.344 5.209 0 40 HKAB COc1nc(NC(=O)c2ccc(-c3ccccc3)cc2)nc(OC)c1-c1ccccc1 3201541 FPRNSOMFBZWXKJ-UHFFFAOYSA-N 411.461 5.080 0 40 HKAB COc1ccc(NC(=O)Nc2nc(-c3ccc(Br)s3)cs2)cc1 3264883 FHWLDWZSAJLVCZ-UHFFFAOYSA-N 410.318 5.287 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1 3655411 YVKFBJFCSONQBK-UHFFFAOYSA-N 419.864 5.968 0 40 HKAB Cc1cc2oc(C(=O)Nc3c(C(=O)c4ccccc4)oc4ccccc34)c(C)c2cc1C 3655633 DVOFCHBGPWMCQI-UHFFFAOYSA-N 423.468 6.588 0 40 HKAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccc(Cl)cc3)cnn12 3765216 SXUKFTJULQLIEP-UHFFFAOYSA-N 408.210 6.389 0 40 HKAB Clc1c(Cl)c(Cl)c2c(c1Cl)OC(c1ccccc1)(c1ccccc1)O2 3851936 GGWYAQJLQLNBKP-UHFFFAOYSA-N 412.099 6.973 0 40 HKAB biogenic O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1c(F)cccc1Cl 4079145 RVJIHNVYFDWPFP-UHFFFAOYSA-N 408.285 5.317 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)cc1 4129666 SJPGJQQPRKGKKD-UHFFFAOYSA-N 417.574 6.408 0 40 HKAB O=c1oc2cc(Cl)ccc2n1C(c1ccccc1)(c1ccccc1)c1ccccc1 4564998 WXYOUUGCTYAONM-UHFFFAOYSA-N 411.888 6.088 0 40 HKAB CCCCOc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3ccc(C)cc3)no2)cc1 4574113 WXIWQZWJQDRIRP-NRFANRHFSA-N 405.498 5.201 0 40 HKAB CCN(CC)c1ccc2cc(C(=O)Nc3ccc(Cl)cc3Cl)c(=O)oc2c1 4600205 AQOKLQVRRMNMAP-UHFFFAOYSA-N 405.281 5.198 0 40 HKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)cc1 4659850 FIAKGAHVFOEXLA-GOSISDBHSA-N 418.512 6.019 0 40 HKAB CCOc1ccc2ncc3c(-c4ccc(CC)cc4)nn(-c4ccc(C)cc4)c3c2c1 4970267 JJAZPLSBFFVIQL-UHFFFAOYSA-N 407.517 6.510 0 40 HKAB O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1 5214435 ZZTWYNDBNBSDDD-UHFFFAOYSA-N 411.888 6.550 0 40 HKAB O=c1cc(CNc2cccc(C(F)(F)F)c2)c2cc(O)c(-c3ccccc3)cc2o1 5490155 DASIQCNZGQAZHA-UHFFFAOYSA-N 411.379 5.797 0 40 HKAB biogenic Cc1ccc(-n2c(SCC(=O)N[C@H]3CCCC[C@H]3C)nnc2-c2ccccc2)cc1 6421371 NBBONYKZHSZVFW-NQIIRXRSSA-N 420.582 5.030 0 40 HKAB CCCc1ccc(-c2csc(NC(=O)COc3cccc4ccccc34)n2)cc1 6431883 COTVKVQQKYFHEJ-UHFFFAOYSA-N 402.519 5.933 0 40 HKAB CCN(C(=O)Nc1cccc2ccccc12)[C@@H](C)Cc1cccc(C(F)(F)F)c1 6462965 IQRDNGUOSALAAG-INIZCTEOSA-N 400.444 6.344 0 40 HKAB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1sc2ccccc2c1Cl 6475099 ZUMVALGCNSUKKJ-UHFFFAOYSA-N 419.893 5.688 0 40 HKAB Cc1ccc(NC(=O)c2nc(SCc3ccccc3F)ncc2Cl)c(C)c1 6748044 VLXOGTRDQCSCBI-UHFFFAOYSA-N 401.894 5.431 0 40 HKAB Cc1nnc2c(NC[C@@H](C)c3ccccc3)nc3ccc(C(=O)c4ccccc4)cc3n12 6901735 JRLPFSPBGKBZBD-QGZVFWFLSA-N 421.504 5.033 0 40 HKAB CCCCCNCc1cc(Br)c(OCc2ccccc2F)c(OC)c1 7261232 DYUCTGRODSRUKF-UHFFFAOYSA-N 410.327 5.456 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2)c1C 7881830 XZOFLNOUTDGZGF-IBGZPJMESA-N 400.478 5.087 0 40 HKAB COc1cccc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)c1OC(F)F 8060582 FRQWLOBTGRWEDY-OUKQBFOZSA-N 403.469 6.195 0 40 HKAB Oc1cc(OCc2ccc(Cl)cc2)ccc1-c1ncncc1-c1ccc(Cl)cc1 8781005 MRRCBUVAQXLDLN-UHFFFAOYSA-N 423.299 6.402 0 40 HKAB COc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccc(Cl)cc2)cc1 9192552 JXUFGMPXRQQRMX-UHFFFAOYSA-N 418.880 5.037 0 40 HKAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C2CCCCC2)c(C)c1 9281091 VLIYUWBKHRCMGL-UHFFFAOYSA-N 402.538 5.567 0 40 HKAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cc(=O)c2ccccc2o1 9367808 AWIOBFGIQROGMQ-UHFFFAOYSA-N 423.302 5.537 0 40 HKAB Cc1c(CC(=O)Nc2cccnc2)c(=O)oc2c(C)c3occ(-c4ccccc4)c3cc12 9411007 NIAZKRZLOQUENN-UHFFFAOYSA-N 424.456 5.399 0 40 HKAB Cc1ccc2cc3c(NC(=O)c4ccc(C(C)(C)C)cc4)nn(CC(C)C)c3nc2c1 9411207 WPVIEMDTQPEWLN-UHFFFAOYSA-N 414.553 6.099 0 40 HKAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1cccc(OCc2ccc(Cl)cc2)c1 9553495 VSBMYVFHXOARHL-FYJGNVAPSA-N 424.283 5.917 0 40 HKAB Cc1cccc(-c2nnc([C@H](C)Sc3nc(C4CC4)n(-c4ccccc4)n3)o2)c1 9577893 UKKCRHLLQDIZDO-HNNXBMFYSA-N 403.511 5.356 0 40 HKAB CC(C)(C)c1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccc(F)cc4)cc3o2)cc1 9660308 WYNJKYFRDZOCCE-UHFFFAOYSA-N 415.464 6.149 0 40 HKAB biogenic Cc1c(Cl)cccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 10314965 SCWWHFLNTNFFAB-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](N[C@@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 12628812 PHLYOGOQMXAWIW-HFZDXXHNSA-N 424.548 5.520 0 40 HKAB Cc1ccc(Sc2ccc(NC(=O)C3CCN(C(=O)C(C)C)CC3)cc2)cc1C 12778414 YJAAYZIAXZJLDI-UHFFFAOYSA-N 410.583 5.288 0 40 HKAB Cc1cccc(-n2c(S[C@H](C)c3nc(C(C)C)no3)nc3ccccc3c2=O)c1 12888663 JZBSZBVOCYCNSY-OAHLLOKOSA-N 406.511 5.054 0 40 HKAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCc2sccc2[C@@H]1c1cccs1 12936801 IOAJYVJKJBUENY-HSZRJFAPSA-N 419.575 5.102 0 40 HKAB COc1ccc(NC(=O)[C@H](C)SCc2cc(-c3ccc(Cl)cc3)no2)cc1 13015263 VZBRVCUVGDJUBZ-ZDUSSCGKSA-N 402.903 5.264 0 40 HKAB CC[C@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 13527856 JZVFJDZBLUFKCA-GXKCAXLPSA-N 412.702 7.801 0 40 HKAB COc1ccc(/C=C/c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1OC 15109398 KSNAZRODYRCXHM-FYWRMAATSA-N 411.461 5.099 0 40 HKAB O=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCC(Cc2ccccc2)CC1 15433838 XQWKHYQMVXHUNT-UHFFFAOYSA-N 407.517 5.392 0 40 HKAB COc1ccc(-c2csc(/C=C/c3c(F)c(F)c(F)c(F)c3F)n2)cc1OC 15978831 KZMRTWKPSHHBRW-GQCTYLIASA-N 413.367 5.693 0 40 HKAB O=C(COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)Nc1cccc(Cl)c1 15979540 QQKHASNMQBBDTD-FLCJAFJVSA-N 423.940 5.360 0 40 HKAB C[C@H]1CCCN(c2nc(Nc3cccc(Cl)c3)c3cnn(-c4ccccc4)c3n2)C1 17245768 VRSPIZSMWFSHCG-INIZCTEOSA-N 418.932 5.449 0 40 HKAB CCOCc1ccc(C(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1 19691255 JNOPGMMHBUBGAV-RUZDIDTESA-N 418.512 5.710 0 40 HKAB Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)c3cc(C(C)(C)C)nn3C)CC2)n1 19691435 HARNWJVTHDRPTQ-UHFFFAOYSA-N 416.569 5.108 0 40 HKAB CCc1cc([C@H](c2ccc(C)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 20193309 QSUMPNRMTBNOGD-QHCPKHFHSA-N 420.578 5.293 0 40 HKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc5nsnc5c4)cc3)nc2c1 21595224 VBZLJIKPNURWEX-UHFFFAOYSA-N 414.490 5.875 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccc(Cl)cn23)cc1 27015377 TWORLQGOQMASHD-UHFFFAOYSA-N 403.913 6.205 0 40 HKAB COc1ccc([C@H]2CC(O)=Nc3nc(N)sc32)cc1OCc1cccc(Cl)c1 32093442 ZKKNHZHIBTWXTD-CQSZACIVSA-N 415.902 5.090 0 40 HKAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc(-c2cccc(Cl)c2)o1 32126341 TVMFIMDILUHGST-UHFFFAOYSA-N 423.708 6.769 0 40 HKAB Cn1c(Sc2ccc(Cl)cc2)c(Sc2ccc(Cl)cc2)sc1=O 32617735 ASBXQUIRYNKFRX-UHFFFAOYSA-N 400.377 6.056 0 40 HKAB O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(Br)o1 35647052 UEBLJTPPJMZZHQ-WDZFZDKYSA-N 418.099 5.241 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 44947763 OIXGOOZNWDROAF-HXOBKFHXSA-N 404.510 5.164 0 40 HKAB Brc1cc(-c2ccccc2)cc2nc(-c3ccc(-n4cnnc4)cc3)oc12 45920443 LPLOSPPIYSKRMR-UHFFFAOYSA-N 417.266 5.505 0 40 HKAB CCCCOc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)no2)cc1 46086505 NSFVZZFMLFENET-UHFFFAOYSA-N 404.388 5.792 0 40 HKAB CC(C)Cn1ccc2cc(NC(=O)CCc3nc(-c4ccc(F)cc4)no3)ccc21 48365521 JAOJWHQHAFVRSB-UHFFFAOYSA-N 406.461 5.058 0 40 HKAB CCOC(=O)/C=C/c1cc(Br)c(-c2ccc(Br)cc2C)o1 57353790 NJMQNFBBVZOJFW-FNORWQNLSA-N 414.093 5.356 0 40 HKAB CC(C)N(Cc1cccc(Br)c1)C(=O)Nc1ccccc1C(C)(C)C 58048771 MSPZIYRSIRIAQL-UHFFFAOYSA-N 403.364 6.189 0 40 HKAB CC1(C)C[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1 71787246 KZSPFWUYMYGYBL-JVVMDBNWSA-N 416.608 8.552 0 40 HKAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ncc(-c2c(F)cccc2F)o1 72277176 ORPBBZXWLMYROY-WIYYLYMNSA-N 424.491 5.737 0 40 HKAB CC(C)(C)c1ccc(OCc2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1 80346173 PHGRKBBKJPNODX-UHFFFAOYSA-N 422.598 5.530 0 40 HKAB CCOc1ccccc1Oc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cn1 84811039 CNQOSXLKUSMDAN-UHFFFAOYSA-N 406.526 5.105 0 40 HKAB O=C(Nc1ccccc1C(=O)OCc1csc(-c2ccc(F)cc2)n1)c1ccco1 89813129 YXSYGKXOSOICQO-UHFFFAOYSA-N 422.437 5.152 0 40 HKAB O=C(c1cccs1)c1ccc(CNC(=O)C2(c3cccs3)CCCC2)s1 90610581 GGPUQZNPRXQCDF-UHFFFAOYSA-N 401.578 5.230 0 40 HKAB Cc1cccnc1NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O 95476842 HWECSENYMCDZFC-UHFFFAOYSA-N 404.466 5.048 0 40 HKAB Cc1ccc2c(-c3cc4c(CN5CCCCCC5)cnc(C)c4o3)cc(=O)oc2c1 95478493 RXTHMJLPRCKRLX-UHFFFAOYSA-N 402.494 5.594 0 40 HKAB Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)CCc3ccccc3)CC2)c1 96183720 HJYPTHMUOQNMLZ-MUUNZHRXSA-N 412.577 5.170 0 40 HKAB CCc1cccc(NC2=C[C@@H](c3ccc(OC)cc3)N(c3cccc(CC)c3)C2=O)c1 103753589 DHXVLFDNPSPPIZ-SANMLTNESA-N 412.533 5.904 0 40 HKAB O=C1S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1ccc(Cl)cc1 106687272 IIPWRFFVIHAOCB-ODLFYWEKSA-N 413.857 5.976 0 40 HKAB CC(C)Oc1ccccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2Cl)C1=O 106733296 KUXNQFVFPBTHDI-NVMNQCDNSA-N 405.878 5.503 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)[C@]3(C)C[C@H]4C=C[C@H]3C4)cc2)c1C 112250532 HENKUIQLTDPPJX-JVFUWBCBSA-N 420.557 5.093 0 40 HKAB O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1Cc1ccccc1Cl 214103458 ISKDLINKNXVXEX-OQLLNIDSSA-N 408.704 5.339 0 40 HKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1cccc(Cl)c1 222695350 GFDOJFPIENOPFF-INIZCTEOSA-N 403.975 5.036 0 40 HKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 222960079 YPOYEBQNOIIREP-QFIPXVFZSA-N 408.542 5.116 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1C(C)C 223386647 BOKYVCRNPNCYAO-HNNXBMFYSA-N 408.369 6.244 0 40 HKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1C 224178489 YSVUTIKYTOOFDR-RPBOFIJWSA-N 424.573 5.666 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 224657918 KUVWVRZQICNZTQ-UHFFFAOYSA-N 401.919 5.308 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(CN2CCCCC2)c1 224697110 MHYJOTOIMSIOQS-RUZDIDTESA-N 422.613 5.444 0 40 HKAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(Br)cc1)CC(C)(C)O2 225672814 QVOJVNBAWNECTI-INIZCTEOSA-N 405.361 5.346 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCSCc2cccc(Cl)c2)c1 225696253 AWBYSLQXXKMDLI-KRWDZBQOSA-N 405.991 5.589 0 40 HKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225735316 UMKUXPGPQHRTGM-BWKNWUBXSA-N 418.622 5.357 0 40 HKAB CCN(C(=O)C(F)(F)F)c1cc(C)c2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 226282038 XBJAAWWBSHGYAM-UHFFFAOYSA-N 404.432 6.016 0 40 HKAB C[C@@H]1CCCCN1c1ccc(N)cc1C(=O)Nc1c(Cl)cc(Cl)cc1Cl 226324492 VMTBRNKNDHUVHZ-LLVKDONJSA-N 412.748 5.860 0 40 HKAB C[C@]1(NC(=O)C2CCCC2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(F)c2)C1 257271044 MWOWFNATDDHELM-ZDXQCDESSA-N 415.936 6.137 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C)n(Cc4ccccc4)c3C)N21 260769267 LEFCVQTYQVQHSP-QDSKXPNFSA-N 416.594 5.528 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc(C)c(C)c3)N21 260786460 XEXKKSRWECLJEF-YSZBQJHXSA-N 402.567 5.469 0 40 HKAB Cc1cc(-c2ccc(Cl)cc2)nc(Sc2oc(C=O)cc2Br)n1 408550449 CFGFNQWAAPKCDC-UHFFFAOYSA-N 409.692 5.425 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(Cl)cc2)cc1 408699272 SNSBTEKWCCBZLF-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2F)cc1 409110602 FHGSGHAVVSNSNR-UHFFFAOYSA-N 404.312 6.886 0 40 HKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O 409248175 GOQMHBNLMXIWGZ-WOJGMQOQSA-N 422.333 6.019 0 40 HKAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)cc1 409327542 KRVHEVNIJYQFOY-WOJGMQOQSA-N 414.914 5.138 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccc(Br)c4)c3)oc2c1 824704 RQLNGIVAIWVHCL-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB O=S(=O)(c1ccc2cccc3c2c1CC3)N1CCS[C@H]1c1ccc(Cl)cc1 855100 QFSWTJVSRGJVTJ-NRFANRHFSA-N 415.967 5.028 0 40 HKAB Cc1ccc(C)c(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 1380095 HPSOPCRSAUMZAD-QFIPXVFZSA-N 422.550 5.405 0 40 HKAB Cc1ccc2nc(-c3ccc(N4C(=O)c5cccc6cccc(c56)C4=O)cc3)sc2c1 2207821 ARNKETSFWBRIKN-UHFFFAOYSA-N 420.493 6.226 0 40 HKAB CSc1nc(SCc2ccc(Cl)cc2)c2c3c(sc2n1)COC(C)(C)C3 2211995 AGTVERAHDWRQKT-UHFFFAOYSA-N 423.028 6.210 0 40 HKAB O=C(/C=C/c1ccccc1)Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 2247295 WYFJYIVHDWXDRP-WUKNDPDISA-N 417.472 5.110 0 40 HKAB Cc1ccc(CNC(=O)Cc2sc(-c3cccnc3)nc2-c2ccc(C)cc2)cc1 3340892 WQEAQAXAAWAJEY-UHFFFAOYSA-N 413.546 5.348 0 40 HKAB Clc1cccc(Cl)c1CSc1nnc(-c2ccco2)n1Cc1ccccc1 3345519 KZLFFHCUELJXRY-UHFFFAOYSA-N 416.333 6.186 0 40 HKAB O=C(OCCCC(c1ccc(F)cc1)c1ccc(F)cc1)[C@H]1COc2ccccc2O1 3376331 AHBCKCOXPDMWAW-XMMPIXPASA-N 424.443 5.260 0 40 HKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 3655578 VZGWRFNRKATFPK-HXUWFJFHSA-N 417.436 5.599 0 40 HKAB COc1ccc(C2=C[C@H](c3ccc(N(C)C)cc3)Sc3cc(Cl)ccc3N2)cc1 3846936 XSETVWUFSABLID-HSZRJFAPSA-N 422.981 6.715 0 40 HKAB biogenic CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1c[nH]c2ccccc12 4138536 KOYNRQWCJKUWTQ-UHFFFAOYSA-N 419.554 5.102 0 40 HKAB Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccs2)cc1 4292009 TWHVATIBINPVNU-PXNSSMCTSA-N 411.324 5.753 0 40 HKAB CCCCCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccc(C)cc2)cc1 4309848 CWWHHWLQIAIWGA-QFIPXVFZSA-N 418.459 5.337 0 40 HKAB Cc1cccc(NCc2nnc(SCc3ccc(Cl)cc3)n2-c2ccccc2)c1 4321406 ZKOBJIMTMMXSQX-UHFFFAOYSA-N 420.969 6.134 0 40 HKAB Cc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)c1 4412298 RGYUBZGYSKGNON-UHFFFAOYSA-N 406.938 5.699 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2cc(C)c(Cl)c(C)c2)sc2c1CCCC2 4558261 BORFOJQTTJHWFZ-UHFFFAOYSA-N 421.946 5.091 0 40 HKAB CCSc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 4585698 PPUHDSHPYLHLBY-UHFFFAOYSA-N 406.532 6.033 0 40 HKAB COc1c(CC=C(C)C)cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc1CC=C(C)C 4716496 JHEBMTRMMJXPTM-QHCPKHFHSA-N 422.521 5.830 0 40 HKAB biogenic,in-vitro Cc1c(Cl)cccc1NC(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F 4785678 BROZPYQYQJSWRJ-UHFFFAOYSA-N 410.745 5.311 0 40 HKAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c1C 4977790 FLAQOJOGDDIBFO-UHFFFAOYSA-N 417.292 5.208 0 40 HKAB CCCCCCNc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CC(C)(C)OC3 5557319 OCPNXQRBRUSQPU-UHFFFAOYSA-N 413.591 5.337 0 40 HKAB COc1cc(/C=C/C(=O)OCc2csc(-c3ccccc3)n2)cc(Cl)c1OC 5629964 OXKZIGBGOKISSQ-CMDGGOBGSA-N 415.898 5.237 0 40 HKAB CCCCCC(=O)NC(=S)Nc1cccc(-c2nc3cc([C@@H](C)CC)ccc3o2)c1 6240706 LSAOSHZJCINJMO-INIZCTEOSA-N 423.582 6.402 0 40 HKAB CCCCOc1ccc(C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)cc1 6397684 TUMRLDCLIXZGOI-UHFFFAOYSA-N 407.514 5.275 0 40 HKAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccccc1SCc1ccccc1 8279812 VQZZSZKIFHDUED-UHFFFAOYSA-N 418.518 5.306 0 40 HKAB CC[C@@H](Oc1ccccc1F)C(=O)NCCSCc1c(Cl)cccc1Cl 8479601 NZOBXFDYTBCYKN-QGZVFWFLSA-N 416.345 5.340 0 40 HKAB Cc1cc(CSc2ncccc2C(=O)Nc2cccc(-c3csc(C)n3)c2)no1 8894162 KTQDVXYLAPCJFD-UHFFFAOYSA-N 422.535 5.355 0 40 HKAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1 9495128 ODWPMUWGMSPOQC-OAQYLSRUSA-N 422.868 5.169 0 40 HKAB CCOc1ccc(NC(=O)c2c(-c3ccccc3)oc3ccc(OCC)cc23)cc1 11866463 CBXDUUCPJPUXHV-UHFFFAOYSA-N 401.462 6.150 0 40 HKAB biogenic CC(=O)c1cccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(Cl)cc2)OC3=O)c1 12274604 SMTNGCKDMQAHQL-QFIPXVFZSA-N 419.864 5.249 0 40 HKAB COc1ccc(-c2nn(C)c(-c3ccc(OC)cc3)c2-c2nc3ccccc3n2C)cc1 12634172 IGPADYZVXGYOKR-UHFFFAOYSA-N 424.504 5.325 0 40 HKAB COc1ccc(-c2c/c(=N\c3ccc(OC)cc3OC)c3cc(O)ccc3o2)cc1 12658899 DGQRGAIBIANUOG-NJNXFGOHSA-N 403.434 5.064 0 40 HKAB biogenic Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccc(F)cc1F 12760716 WRJJOVBJBFRBCI-UHFFFAOYSA-N 403.226 5.350 0 40 HKAB CCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)c1C 13019412 WJGNTLUWOQYGLM-WYMLVPIESA-N 424.953 6.377 0 40 HKAB CC(C)c1ccc(N2C[C@@H](c3nc(-c4ccc(C(F)(F)F)cc4)no3)CC2=O)cc1 13037034 UDQXMRFFGBAZHM-INIZCTEOSA-N 415.415 5.399 0 40 HKAB Clc1ccc2nc(SCc3cn4cccnc4n3)nc(-c3ccccc3)c2c1 16492485 AAFHYOHFYKMKQF-UHFFFAOYSA-N 403.898 5.285 0 40 HKAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 17091292 NNBVUBLSHNISQM-UHFFFAOYSA-N 417.962 5.113 0 40 HKAB Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(C(F)(F)F)c2)c(-c2cc(C)n[nH]2)c1 19661615 QWWWLLFWIONCGF-CQSZACIVSA-N 403.404 5.118 0 40 HKAB Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1c1ccc(Cc2ccc(F)cc2)cn1 19688536 YMOPDNMPOPXVMT-RUZDIDTESA-N 406.549 5.543 0 40 HKAB Cc1nnc2n1C[C@@H](c1cccc(C(=O)Nc3ccccc3-c3ccccc3)c1)CC2 19698190 CUHQDIDBTAODPV-QFIPXVFZSA-N 408.505 5.236 0 40 HKAB c1ccc2c(CN(CCN3CCOCC3)Cc3cccc4ccccc34)cccc2c1 19859149 CDSHYMKBPFGHIR-UHFFFAOYSA-N 410.561 5.327 0 40 HKAB COc1ccc(-c2c(C)nn3c(C(F)(F)F)cc(-c4cccs4)nc23)cc1OC 20070533 YSPWTFNZKQUZPE-UHFFFAOYSA-N 419.428 5.469 0 40 HKAB Cc1ccc(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 20104631 NKEVBZJUJKJNKI-UHFFFAOYSA-N 414.549 6.034 0 40 HKAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccc(Br)c1 20137997 RUOKPCBNBXYDQL-UHFFFAOYSA-N 406.663 5.107 0 40 HKAB Cc1cc(Nc2ccc(C)c(Cl)c2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 27585698 CUGHEKKXJIXWNP-UHFFFAOYSA-N 416.834 6.429 0 40 HKAB Cc1ccc(-c2nc(CCNC(=O)COc3cc(C)c(Cl)c(C)c3)cs2)cc1 27992230 XQJFHLCHOLVMJK-UHFFFAOYSA-N 414.958 5.126 0 40 HKAB CCCOc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1 32126217 BTJZCNQISHCKHX-UHFFFAOYSA-N 422.484 6.689 0 40 HKAB Cc1ccc(Cc2cnc(NC(=O)CCCc3nc(C(C)C)no3)s2)cc1Cl 32915837 RZCWSSSOGLTCPU-UHFFFAOYSA-N 418.950 5.164 0 40 HKAB O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1ccc(-c2ccccc2Cl)o1 35645947 ZVOZXXBDWLMGCE-WQRHYEAKSA-N 415.301 6.145 0 40 HKAB Cc1ccc(-c2nn(CN[C@@H](c3cccs3)C(C)(C)C)c(=O)c3ccccc23)cc1 39563677 BVPMUXHMCOSOHO-QHCPKHFHSA-N 417.578 5.768 0 40 HKAB Cc1ccc(-c2cnc(SCc3ccc(F)cc3)n2-c2ccc(Cl)cc2)cc1 44087592 ZFBUQUGISJWKQS-UHFFFAOYSA-N 408.929 6.933 0 40 HKAB Cc1ccccc1[C@@H](NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1)c1ccccc1 44937734 OEBLEUHGAQJGLD-IDISGSTGSA-N 412.577 5.746 0 40 HKAB COc1cccc([C@@H]2CCCN2C(=O)c2sc(Cc3ccc(F)cc3)nc2C)c1 48342388 NZMHSANVOOXUAA-FQEVSTJZSA-N 410.514 5.167 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(Sc3ccccc3)nc2)cc1 72217640 LWHHJVMMFFDPQD-QFIPXVFZSA-N 424.591 5.457 0 40 HKAB O=C(Nc1cccc2c(NC(=O)C3[C@@H]4CCCC[C@@H]34)cccc12)C1[C@H]2CCCC[C@H]12 100044807 HUUNVNZQBWVCGT-XLLXOSNRSA-N 402.538 5.589 0 40 HKAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(N3CCC(C)CC3)cc2)cc1 141537170 QZNUGIOATPZSFA-RUZDIDTESA-N 406.570 5.689 0 40 HKAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1-c1cn2ccccc2n1 206897917 UXTJSFWSGGKPSB-UHFFFAOYSA-N 416.531 5.747 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccc(Cl)cc1 224498821 KEAALFVDLFQQGT-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1ccccc1C(C)C 224566942 DOXGENFFRICXAN-UHFFFAOYSA-N 419.521 6.049 0 40 HKAB CC(C)(C)c1ccc(OCCNC(=O)CSCc2cccc3ccccc23)cc1 224954455 LPXUOKBQCGKHJZ-UHFFFAOYSA-N 407.579 5.566 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc2)cc1 224982127 QSPJDAPSSZDLNK-UHFFFAOYSA-N 418.562 5.376 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OCc2ccccc2)cc1 225310830 ZUIIMUAWFLIYGK-SANMLTNESA-N 415.533 5.941 0 40 HKAB COc1ccc(CCC(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 225316561 XDHPMMDVUSDKLJ-UHFFFAOYSA-N 411.954 6.212 0 40 HKAB CCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCC[C@@H](C)C1 225716179 BUHRMUPLMATFAI-BWKNWUBXSA-N 416.606 5.111 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(F)cc2)c1C 408694347 JHWHDBLUMQMBOR-UHFFFAOYSA-N 404.420 5.082 0 40 HKAB COc1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 408980767 XGKWYBQIEKVCKU-UHFFFAOYSA-N 411.417 5.411 0 40 HKAB CCOc1cc(CNc2cccc(Cl)c2C)ccc1OCc1cccc(Cl)c1 409118321 OZXRSFRGQRIBCK-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB O=C(COc1ccc(C(=S)N2CCCCC2)cc1)Nc1cc(Cl)cc(Cl)c1 409237618 AOCJUKWYVOCMHG-UHFFFAOYSA-N 423.365 5.172 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1C[C@H](C(C)C)O[C@@H]2C(C)C 524734752 JZLCIEOXJDJGBL-NVXWUHKLSA-N 405.516 5.065 0 40 HKAB CCCOc1ccc(OC)cc1-c1ccc(C(=O)O)c(COc2ccc(C)cc2C)n1 585264975 CZUSDLRJAYUHLZ-UHFFFAOYSA-N 421.493 5.440 0 40 HKAB CCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(C)c(Cl)ccc23)cc1 944212 NPIZUNSDNJBRKY-UHFFFAOYSA-N 412.873 5.294 0 40 HKAB CCc1cccc(C)c1NC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 984754 ZJTXCPVMBNBLJR-UHFFFAOYSA-N 413.473 5.348 0 40 HKAB Cc1cc(C)c(NC(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c23)c(C)c1 1377387 IROSWDPXTYUYHT-UHFFFAOYSA-N 411.596 5.842 0 40 HKAB O=S(=O)(c1ccccc1)c1cnc(-c2ccccc2)nc1Sc1ccc(F)cc1 1402559 XOQGVZYJMAZPCL-UHFFFAOYSA-N 422.506 5.267 0 40 HKAB CCOc1ccc(-c2nnc(Nc3ccc(Br)cc3)c3ccccc23)cc1 2221745 UMFANZGNEHZVEK-UHFFFAOYSA-N 420.310 6.202 0 40 HKAB CCOc1cccc(C(=O)Nc2nnc(COc3ccc(C(C)(C)C)cc3)s2)c1 2285092 JRNKCTUMNQFONV-UHFFFAOYSA-N 411.527 5.066 0 40 HKAB O=c1c2c(nc3n1C[C@H](c1ccccc1)S3)-c1ccccc1CC21CCCCC1 2288686 WTDIQRVDYMXLNQ-HXUWFJFHSA-N 400.547 5.515 0 40 HKAB biogenic Sc1nnc(COc2ccc3cc(Br)ccc3c2)n1-c1ccccc1 2561897 KLRWCDQXQOZWHM-UHFFFAOYSA-N 412.312 5.051 0 40 HKAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1cccc2ccccc12 2633626 RWCWKGWCBNUTFA-UHFFFAOYSA-N 406.536 5.034 0 40 HKAB CCc1c(-c2cccc(OC)c2)nn(Cc2ccccc2F)c1-c1cccc(OC)c1 2733271 IFNWMZLTFVHNCK-UHFFFAOYSA-N 416.496 5.984 0 40 HKAB O=C(Oc1ccc2oc(-c3ccco3)cc(=O)c2c1)c1ccc(Cl)cc1Cl 2888830 BJIWTCBCGWHBSM-UHFFFAOYSA-N 401.201 5.579 0 40 HKAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)Nc1cccc(C(F)(F)F)c1 3193233 MCFUHEIDWNRYCT-UHFFFAOYSA-N 415.419 5.334 0 40 HKAB C[C@H](Sc1ncnc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1 3246406 BESUXKIYYJBBFL-INIZCTEOSA-N 401.491 5.541 0 40 HKAB O=C(CCCc1cccs1)Nc1nnc(SCc2ccc(Cl)cc2)s1 3344474 POWQUISUIHXWRY-UHFFFAOYSA-N 409.989 5.507 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1sc2ccccc2c1Cl 4134653 WIWMMJIZCLQTJR-UHFFFAOYSA-N 403.894 6.350 0 40 HKAB COc1ccc([C@@H]2CN(C)C[C@H]2C(=O)c2ccc(C3CCCCC3)cc2)cc1Cl 4489357 LSZXSJRLEMPHQV-FCHUYYIVSA-N 411.973 5.924 0 40 HKAB CCN(CC)CCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 4585311 KMGSIJDGILVQML-UHFFFAOYSA-N 421.488 5.304 0 40 HKAB CCOc1ccc(-c2cnc(NCc3cccc(OCc4ccccc4)c3)n2C)cc1 4679003 IODDZYSTXYEOQB-UHFFFAOYSA-N 413.521 5.677 0 40 HKAB O=C(NCCSc1c(-c2ccc(Br)cc2)[nH]c2ccccc12)C1CC1 4873223 ZYCOOFNCRRSUKW-UHFFFAOYSA-N 415.356 5.216 0 40 HKAB Cc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2cc4c(cc23)OCCO4)cc1 4970063 JMUAWGRYBQFMMM-UHFFFAOYSA-N 407.473 5.629 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 4972801 RTPZRDGYMPQRKO-SLWNYCNESA-N 414.674 7.569 0 40 HKAB Cc1ccc(NC2(c3nnnn3C(c3ccccc3)c3ccccc3)CCCCC2)cc1 5242955 UIGBJDWNEQSVEK-UHFFFAOYSA-N 423.564 5.891 0 40 HKAB COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1 6640822 FVQDFUZKASBCQT-UHFFFAOYSA-N 404.849 5.390 0 40 HKAB Cc1noc(-c2ccc(OCc3c(F)cccc3Cl)cc2O)c1-c1ccccc1 6662311 SEZLFMGRZIZNGG-UHFFFAOYSA-N 409.844 6.394 0 40 HKAB biogenic Cc1ccc(C(C)C)c(OCCn2c(C)c(C(=O)C(F)(F)F)c3ccccc32)c1 6965588 WRKLSQSUAVXKEC-UHFFFAOYSA-N 403.444 6.206 0 40 HKAB Fc1cccc(-c2nnn3c2nc(NCc2cccs2)c2cc(Cl)ccc23)c1 7616002 VCBHXOKBTUVEFQ-UHFFFAOYSA-N 409.877 5.411 0 40 HKAB COc1cccc(CS[C@@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)c1 7717708 PXCVMEUQYLVWRS-STQMWFEESA-N 400.569 5.112 0 40 HKAB O=C(/C=C/c1nc2ccccc2s1)N1CCC[C@H](c2nc3ccccc3s2)C1 7987110 HUFWHLNXIXFSGC-RUMSDORHSA-N 405.548 5.325 0 40 HKAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)/C=C/c1cc(C)n(C2CCCCC2)c1C 8232001 LVYFFKZHLWKZEX-CCEZHUSRSA-N 421.585 5.337 0 40 HKAB O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)N1CCC[C@H]1c1nc2ccccc2s1 8744916 HTCNWVDIOLTXGO-VQFGERMISA-N 422.937 5.645 0 40 HKAB CCN(c1ccccc1)c1nc2nonc2nc1Nc1ccc(Oc2ccccc2)cc1 9273082 DPNWLCFBHNIBBP-UHFFFAOYSA-N 424.464 5.707 0 40 HKAB O=C(Cc1cccc2ccccc12)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 9363807 UWFQEOABFOZOQP-UHFFFAOYSA-N 419.937 5.607 0 40 HKAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Cl)cc1Cl 10139783 PDWAPTMAPYQFER-UHFFFAOYSA-N 402.325 5.293 0 40 HKAB CCOc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N3CCCC3)n2)cc1 10213645 WTIQDWJFWRIMCH-UHFFFAOYSA-N 410.909 5.011 0 40 HKAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc2c(c1)nc1n2CCCCC1 11147781 LPUOKUQADHKBQU-UHFFFAOYSA-N 418.472 5.128 0 40 HKAB Cc1cc2cc(CCNC(=O)CC(c3ccccc3)c3ccccc3)c(=O)[nH]c2cc1C 11634935 PSWYDAFRNZLVLM-UHFFFAOYSA-N 424.544 5.026 0 40 HKAB O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccco1)Cc1ccccc1F 11917448 AYVWDPKZMBCBLO-UHFFFAOYSA-N 410.832 5.570 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3cccs3)C[C@@H]21 12196417 UPPKTVKHZPEGSO-PGRDOPGGSA-N 410.926 6.043 0 40 HKAB O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCc1ccccc1Cl 12419345 PSELADRXGCKLKU-UHFFFAOYSA-N 414.870 5.033 0 40 HKAB Cc1nc(COc2ccc([C@H]3Nc4ccccc4C(=O)N3C3CCCC3)cc2)cs1 12543342 OXVJYRKFKBVPOQ-QHCPKHFHSA-N 419.550 5.540 0 40 HKAB Clc1ccccc1OCc1nnc(SCc2ccc(Br)cc2)o1 12676593 NOIWKQMEYKHSLV-UHFFFAOYSA-N 411.708 5.357 0 40 HKAB CC(C)Nc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)s1 12761029 CBBGFTGALCSWGD-MRVPVSSYSA-N 424.901 5.150 0 40 HKAB CC(=O)c1ccc(N(C(=O)COc2cccc(F)c2)c2nc3ccccc3s2)cc1 12764856 FDOYYLIIEKUIGC-UHFFFAOYSA-N 420.465 5.382 0 40 HKAB O=C(CSCc1csc(-c2cccs2)n1)Nc1ccc(Cl)c(Cl)c1 13028242 YMXGQRWSRXPFOU-UHFFFAOYSA-N 415.392 6.050 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccc4oc(=O)ccc4c3)c3ccccc3n2)cc1 13655729 PIQMFUXLYAKMHQ-UHFFFAOYSA-N 422.440 5.269 0 40 HKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(CSc2ccccc2)cc1 13709147 WVERSDNKKDTQRD-LJQANCHMSA-N 413.542 6.538 0 40 HKAB CC(C)(C)N1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 13844875 QUBYGDKGMLZGFC-XMMPIXPASA-N 414.936 6.832 0 40 HKAB C[C@@H]1Sc2ccc(C(=O)Nc3cc(Cl)ccc3N3CCCCC3)cc2NC1=O 14912172 VBJLDAAICHOYBY-ZDUSSCGKSA-N 415.946 5.015 0 40 HKAB C/C(=C\c1ccccc1)[C@H]1C(=O)N(c2ccc(C)c(C)c2)CC(=O)N1c1ccccc1 15412761 CJZXHVJIJJXSKJ-YMBKFGRISA-N 410.517 5.155 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)cc1 17088199 NAVNFFBVJVUDNL-VMPITWQZSA-N 409.338 5.349 0 40 HKAB O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc(F)cc1 17094147 YZJYGNYPQGOEPE-UHFFFAOYSA-N 424.888 5.149 0 40 HKAB Clc1ccc(N2C(c3ccccc3)=N[C@H](N3CCCCC3)[C@@H]2N2CCCCC2)cc1 19320357 RCNKSSYHYNGAHW-JWQCQUIFSA-N 423.004 5.231 0 40 HKAB O=C(NCCSCc1ccccc1)c1ccc(CN2CCCc3ccccc32)cc1 20050003 OBGVVKNDOLLXLD-UHFFFAOYSA-N 416.590 5.303 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1Cl 21580335 NYZCEIHGUXWAFC-UHFFFAOYSA-N 407.857 5.153 0 40 HKAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1cc(C)ccc1C 21787243 LPIQTVQQBCOQHC-QFIPXVFZSA-N 405.542 5.196 0 40 HKAB CC(=O)c1ccc(C(=O)Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)s1 25302237 FCZVRRYSBKOTAA-UHFFFAOYSA-N 403.862 5.575 0 40 HKAB CCOc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3cccs3)no2)cc1 27793341 SDUJGFHITHIZNM-UHFFFAOYSA-N 408.479 5.237 0 40 HKAB Cc1ccc(NC(=O)CS/C(=C/c2ccco2)c2nc3ccccc3s2)cc1 32740483 HOLTXKXEHMTWQZ-DEDYPNTBSA-N 406.532 6.068 0 40 HKAB COc1cccc(-c2cc(C(=O)Nc3cccc4ccccc34)c3c(C)nn(C)c3n2)c1 36615972 OHHXTXRWAYIQQC-UHFFFAOYSA-N 422.488 5.358 0 40 HKAB CC[C@@H](NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccc(F)cc1)c1ccccc1 36615985 FXZYUJKBFORSJO-OAQYLSRUSA-N 402.473 5.058 0 40 HKAB C[C@H]1CCC[C@H](n2ccc3c(cnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)[C@@H]1C 40397289 PCXLVNOTVFFPJE-MDOVXXIYSA-N 406.917 5.362 0 40 HKAB CC(C)NC(=O)CSc1ncc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1 44087704 GKEBVPKVOGEPLL-UHFFFAOYSA-N 419.472 5.175 0 40 HKAB Cc1ccccc1[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccccc1 44838642 YUEVDVJUISPILV-NRFANRHFSA-N 420.361 5.511 0 40 HKAB CCOc1ccc2cc(CNc3ccc(N4C[C@@H](C)C[C@@H](C)C4)cc3)c(=O)[nH]c2c1 57718345 PPLMCAKCQLLEBD-HDICACEKSA-N 405.542 5.021 0 40 HKAB Cc1cccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)ccc3o2)c1 59477605 LSVZFPUIFCVOOK-NTCAYCPXSA-N 420.468 6.715 0 40 HKAB Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2cccc(C)c2C)n1 67294854 WOTLKFQUEVGXGK-PNHLSOANSA-N 417.896 5.891 0 40 HKAB COc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2Cl)cc1Cl 72329811 DSDJAAIBRGGEPJ-UHFFFAOYSA-N 402.686 5.036 0 40 HKAB O=C(c1ccc(Cl)cc1)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 84429320 WVTKERJKDMYADC-IFROUHBWSA-N 406.869 5.963 0 40 HKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@H]2CC[C@]13C 85221717 KPUDOJPVQQJLGI-HAYQXXOZSA-N 424.713 8.521 0 40 HKAB biogenic COC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(Br)cc1)N2 100017140 OIBDONHXDQCDTE-UAADMILHSA-N 412.327 5.532 0 40 HKAB CC[C@H](C)C(=O)N1c2ccccc2[C@@H](N(C(=O)[C@H](C)CC)c2ccccc2)C[C@H]1C 101176317 WYDOYBRGEXKRFI-SMOZNVCYSA-N 406.570 5.978 0 40 HKAB CCCc1ccc(-c2nc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5=C(C)C)[C@H]4C3=O)sc2C)cc1 102637335 AXVSKANOWZGUET-FMWKFLBASA-N 420.578 5.553 0 40 HKAB Fc1ccc(COc2ccc(Br)cc2CNc2ccc(F)cc2)cc1 107028356 KFKWWRBTFMKOEC-UHFFFAOYSA-N 404.254 5.918 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OC(C)C 214383019 YQUZTGLLYIWGNA-UDWIEESQSA-N 415.486 5.248 0 40 HKAB CC(C)c1ccc(CCCNC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 219692163 SYXHUWSEBURSCU-INIZCTEOSA-N 404.348 5.089 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccc1OCc1ccccc1 219765421 PNWDDBFJNMQSDE-UHFFFAOYSA-N 405.803 6.190 0 40 HKAB O=C(CCc1cccc2ccccc12)Nc1ccccc1C(=O)NCc1ccccc1 222665375 DDJHOWNIGXSDJS-UHFFFAOYSA-N 408.501 5.341 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3cccs3)c2)cc1 223656700 NQDPVLSZRZNFAN-UHFFFAOYSA-N 414.552 5.099 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccc(Cl)c(C)c1 224203715 VFHNDILJISYPPC-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 224219542 GICHSTNSALIDDC-RPWUZVMVSA-N 416.594 5.874 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1c1ccc(Cl)cc1 224480187 HVJUWGGGGULFBU-FCHUYYIVSA-N 422.985 5.829 0 40 HKAB CCOc1ccc(-c2cnc(CCC(=O)NCc3ccc(Cl)cc3Cl)o2)cc1 224855713 UMOZQBNSRBVROH-UHFFFAOYSA-N 419.308 5.296 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1OCC 225339003 LUWZSNIUQIJZOD-AWEZNQCLSA-N 410.341 5.601 0 40 HKAB Cc1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)cc1Cl 225367891 TYDRRBXAWPEWOE-UHFFFAOYSA-N 403.375 5.661 0 40 HKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NCc1ccccc1Cl 225830882 VKWKHWDHUZZYLT-UHFFFAOYSA-N 417.896 5.306 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H]([C@@]5(C)CCC(=O)O5)[C@@]4(C)CC[C@@H]32)C1 257373178 ZSUHSKYVVTXINZ-OVXOOZFTSA-N 414.586 5.593 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(F)cc3)n2)c(C)c1 408695389 QINTURJILQULEY-UHFFFAOYSA-N 404.420 5.082 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 408698191 LZAFHQKDHGHHJO-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3sc(C(=O)N4CCCCC4)cc3c2)cc1C 408713340 UFOHYISQVVSJTA-UHFFFAOYSA-N 422.550 5.487 0 40 HKAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 408801623 WLNBBUGRDLIOEG-UHFFFAOYSA-N 423.464 5.307 0 40 HKAB COc1ccc2c(c1)Cc1sc(Nc3ccc(I)cc3)nc1-2 408888926 CVKVEUZZUIRMKK-UHFFFAOYSA-N 420.275 5.071 0 40 HKAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C1=O 409018697 YMSJLGBYCNNTGY-VCBXAZPMSA-N 405.859 5.133 0 40 HKAB CC(C)N1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C1=O 409059744 NYUCGKNDLLZVHS-ZDLGFXPLSA-N 405.878 5.503 0 40 HKAB COc1ccc(/C=C(/C(=O)Nc2ccccc2-c2ccccc2)c2ccccc2)cc1 409132793 KBFSYNRLFCOSRE-LHLOQNFPSA-N 405.497 6.542 0 40 HKAB Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2)cc1Cl 409247580 ILINLCYKUJVCAQ-UHFFFAOYSA-N 416.974 5.073 0 40 HKAB O=C(Nc1cnccc1Oc1ccccc1)c1cc2cccc(Br)c2o1 1616018989 RTCMFHVJUKNDOC-UHFFFAOYSA-N 409.239 5.635 0 40 HKAB O=C(Nc1ccc(F)cc1F)c1cc(-c2ccc(Cl)s2)nc2ccccc12 670366 SSULDRXVHGCNBI-UHFFFAOYSA-N 400.837 6.147 0 40 HKAB Nc1c(C(=O)Nc2cccc(F)c2)sc2nc3c(c(-c4cccs4)c12)CCCC3 756766 FEKGSARVALDFOR-UHFFFAOYSA-N 423.538 5.877 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1cccc2c(Br)cccc12 834922 IKJCOVFZQCDOBC-UHFFFAOYSA-N 405.089 5.617 0 40 HKAB Cc1cc2cc(CN(Cc3cccs3)C(=O)Nc3ccccc3)c(=O)[nH]c2cc1C 1371167 TUBGSSWHYAHQEQ-UHFFFAOYSA-N 417.534 5.441 0 40 HKAB Cc1cc(C)c2cc(CN(C(=O)Nc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 1371245 RNDSUAQLFOIDDE-UHFFFAOYSA-N 403.526 5.512 0 40 HKAB O=C(Cc1sc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(F)cc1F 1388804 OCVRHRYAZLGLQL-UHFFFAOYSA-N 406.457 5.937 0 40 HKAB CCCCOC(=O)c1c(Cl)c(Cl)c(C(=O)OCCCC)c(Cl)c1Cl 1627293 XUKIPUHQJITFEB-UHFFFAOYSA-N 416.128 6.214 0 40 HKAB CCCC(=O)Oc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1 1892279 FYIYNFRZYWPKTA-HPNDGRJYSA-N 417.892 6.691 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 2086429 XITWSPBJZWRTKS-UHFFFAOYSA-N 424.500 6.008 0 40 HKAB CC1=C[C@@H](C)[C@@H](C2OCC3(CO2)COC([C@@H]2[C@@H](C)CC(C)=C[C@H]2C)OC3)[C@@H](C)C1 2099893 JLEHIYGUDHRGOJ-QOBJWBDRSA-N 404.591 5.195 0 40 HKAB CCOc1ccc(-c2cc(C(=O)Oc3ccccc3C(C)=O)c3ccccc3n2)cc1 2195716 GNMSBIMLFDJJMH-UHFFFAOYSA-N 411.457 5.722 0 40 HKAB CN(c1ccccc1)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 2199425 PHFQFXLDXYGUQB-UHFFFAOYSA-N 401.513 7.179 0 40 HKAB CCCCc1cc(=O)oc2cc(C)c3c(-c4ccc(Br)cc4)coc3c12 2224710 QCZRXBGVUURPQB-UHFFFAOYSA-N 411.295 6.620 0 40 HKAB C[C@@H]1CN=C(N(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc2)S1 2279924 JFAQQNWFSRPCMQ-LLVKDONJSA-N 413.852 5.889 0 40 HKAB COC(=O)c1cc(CSc2nnc(-c3sc4ccccc4c3Cl)o2)oc1C 2637217 NXJUXLGESOFCLS-UHFFFAOYSA-N 420.899 5.585 0 40 HKAB CC(C)CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 2714519 FTFUPQHGXOOWLQ-UHFFFAOYSA-N 421.342 5.918 0 40 HKAB COc1ccc(CNc2nc(SCc3ccc(Cl)cc3)nc3ccccc23)cc1 2948830 XQRVMWUEJAHFGG-UHFFFAOYSA-N 421.953 6.196 0 40 HKAB Fc1ccc(Nc2nc(SCc3ccc(Cl)cc3)nc3ccccc23)cc1F 2949011 RVXAYZYTJLQYJX-UHFFFAOYSA-N 413.880 6.597 0 40 HKAB Cc1ccc(C(=O)N[C@@H](Sc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 3138919 OCAGWVPJUUSEHZ-HNNXBMFYSA-N 409.165 5.867 0 40 HKAB COc1cc2c(cc1NS(=O)(=O)c1ccccc1C(F)(F)F)oc1ccccc12 3329023 RJSCHJRWGJYMJZ-UHFFFAOYSA-N 421.396 5.414 0 40 HKAB Cc1cc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)ccc1Br 3330332 LHPNXRFXUDUPPR-UHFFFAOYSA-N 413.340 6.359 0 40 HKAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1c1cccc(Cl)c1 4015810 MOHSVONVIGPRDB-MOUTVQLLSA-N 413.904 5.583 0 40 HKAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccc(-c2ccccc2)cc1 4305153 HMTHIUNKYZVVSL-VWLOTQADSA-N 408.501 5.480 0 40 HKAB O=C(Cc1ccccc1)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12 4353813 KQAUHOABQJQPOQ-UHFFFAOYSA-N 406.388 5.145 0 40 HKAB COc1cc(NC(=O)c2ccc3ccccc3c2)ccc1NC(=O)c1cccs1 4487791 FWMUZXZIXBJNJL-UHFFFAOYSA-N 402.475 5.415 0 40 HKAB O=C(Nc1ccc(Br)cc1Br)c1cccc2ccccc12 4646543 WZWIOQWCAJZUJX-UHFFFAOYSA-N 405.089 5.617 0 40 HKAB Cc1ccc(-c2cc(C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)o1 4650773 QFLROLFYUWMLKM-IHAPDJFTSA-N 414.549 6.138 0 40 HKAB CC(C)CN(CC(C)C)C1=N/C(=C\c2ccccc2)C(=O)N1c1cccc(Cl)c1 4664723 MKHDSCUPEPNMJI-XKZIYDEJSA-N 409.961 5.698 0 40 HKAB CC(C)(C)c1ccc(-n2nc(-c3ccccc3)c3cnc4cc(F)c(F)cc4c32)cc1 4970168 AQHJKTPNVLHBGQ-UHFFFAOYSA-N 413.471 6.816 0 40 HKAB Cc1[nH]c2ccccc2c1CCN(Cc1ccco1)C(=S)NCCc1ccccc1 5006161 FJGDPGUKLJBPMN-UHFFFAOYSA-N 417.578 5.231 0 40 HKAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1Cl 5032977 OUZVVRIXOLAXSU-BVZFJXPGSA-N 402.258 5.081 0 40 HKAB COc1ccc(-c2cc(-c3cccs3)nc3sc4c(O)cc(O)nc4c23)cc1 5489890 SZELAHKXZXVMPC-UHFFFAOYSA-N 406.488 5.660 0 40 HKAB CCOC(=O)N[C@@H](CC(=O)Nc1ccc(C23CCC(CC2)CC3)cc1)c1ccccc1 5979762 WODNVILAACAQFK-GFXGUTMFSA-N 420.553 5.724 0 40 HKAB COc1cccc(CNC2C3CC4CC(C3)CC2C4)c1OCc1ccc(Cl)cc1 6259290 UUZHDALQZGIORD-UHFFFAOYSA-N 411.973 5.842 0 40 HKAB COC(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 6626668 PHSFDJGSQUZHTK-UHFFFAOYSA-N 414.486 5.516 0 40 HKAB CC(C)c1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1 6763090 YCLKHVVTKNZDTP-UHFFFAOYSA-N 418.880 5.516 0 40 HKAB Cc1ccc2c(CC(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)coc2c1C 7407266 HEKGRRAPBLLOIC-UHFFFAOYSA-N 414.509 5.216 0 40 HKAB CCn1c(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1C1CC1 7618359 OXDRDLZUOHFNSJ-NRFANRHFSA-N 402.523 5.373 0 40 HKAB CC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 7929473 UNSMDFUSMZZANI-CYBMUJFWSA-N 406.309 5.249 0 40 HKAB O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)C12CC3CC(CC(C3)C1)C2 8072775 CPMFBJQFTCZPCE-UHFFFAOYSA-N 421.393 6.196 0 40 HKAB Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8093733 PTVIMKKXSXLQHM-QGZVFWFLSA-N 403.507 5.280 0 40 HKAB O=C1N[C@H](c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)Nc2ccccc21 8156740 CPZBWZTUOQCGGB-HSZRJFAPSA-N 414.896 5.106 0 40 HKAB Cc1ccccc1N(C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1nc2ccccc2s1 8342312 VJUGECFVWGSQNB-QGZVFWFLSA-N 419.550 5.061 0 40 HKAB COc1cc(C(=O)O)cc(Br)c1OCc1ccc(Cl)cc1Cl 8470265 ZNVHKFXAUAOMFD-UHFFFAOYSA-N 406.059 5.042 0 40 HKAB COc1ccccc1O[C@@H](C)C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 8586741 ISLMZXCSUWBDJZ-HNNXBMFYSA-N 404.491 5.378 0 40 HKAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1N(c1ccccc1)c1ccccc1 8916770 MKCCCDPJWVDPGM-ZBLYBZFDSA-N 404.513 6.741 0 40 HKAB COc1ccc(C)cc1N(C(=O)COc1ccc(F)cc1)c1nc2ccccc2s1 9125786 IHSDZWURLJREHN-UHFFFAOYSA-N 422.481 5.496 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc(-c3cccs3)nc3ccccc23)c1C 9166454 DCJLHFOHZPEMPY-UHFFFAOYSA-N 421.547 5.481 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1C 9403976 PXJGVUBYANYKMU-UHFFFAOYSA-N 423.563 5.393 0 40 HKAB O=C(COCc1nc2ccccc2s1)N1CCCC[C@H]1c1nc2ccccc2s1 9669576 LVJJJDFVIKSVGC-KRWDZBQOSA-N 423.563 5.176 0 40 HKAB CCc1ccc2nc(Nc3ncc4c(n3)C[C@@H](c3cccs3)CC4=O)nc(C)c2c1 10157482 APYSQKPZYKIKCO-OAHLLOKOSA-N 415.522 5.008 0 40 HKAB Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccco3)c12 12249990 UEAVDSNURZVMRX-UHFFFAOYSA-N 411.486 6.058 0 40 HKAB CCOc1ccc(-c2cc(C(F)(F)F)c3c(Br)nsc3n2)cc1 12411971 JTBXUBNYXRXQCP-UHFFFAOYSA-N 403.223 5.538 0 40 HKAB CCCn1c(SCC(=O)Nc2ccccc2OC)nc2ccc(C(F)(F)F)cc21 12520275 DRBRKCDBOHDQOU-UHFFFAOYSA-N 423.460 5.205 0 40 HKAB Cc1nc2cc(C(=O)OCC(=O)c3ccc(Cl)cc3)ccc2n1-c1ccccc1 12539920 CTOSFRJOOLPENN-UHFFFAOYSA-N 404.853 5.027 0 40 HKAB Cc1cc(C(=O)CSc2nc3ccccc3n2CC(C)C)c(C)n1-c1nccs1 12546401 IFRFIOFRZSKOBY-UHFFFAOYSA-N 424.595 5.531 0 40 HKAB O=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc12)c1cc2ccccc2o1 12654006 IWTZZRDUJCWTLC-UHFFFAOYSA-N 408.413 5.083 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CCSc1ccc(Cl)cc1 12656750 CGVSDUKLIGPYSR-MNEFBYGVSA-N 412.979 5.369 0 40 HKAB O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1Cc1ccc(F)cc1 12865308 SQAARVBQYAMRDD-UHFFFAOYSA-N 410.901 5.530 0 40 HKAB Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2cc(Cl)cc(Cl)c2)cc1 13281844 SIOFNYRWTMOTPW-UHFFFAOYSA-N 409.251 6.082 0 40 HKAB C/C=C(\C)[C@@H](O)[C@@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1oc(OC)c(C)c(=O)c1C 13307923 PFVSUJLJFXJPMF-BKQGVWCKSA-N 400.559 5.610 0 40 HKAB biogenic,in-vitro O=c1cc(O)c2sc3nc(-c4cccs4)cc(-c4ccc(Cl)cc4)c3c2[nH]1 13739585 UELSPZIJBYZTKV-UHFFFAOYSA-N 410.907 5.892 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccccc4Br)c3)oc2c1 16348554 YHZYBPBMTDYBNP-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB O=S(=O)(c1ccccc1)c1cnc2ccc(Cl)cc2c1N1CCCCCC1 20381082 UVPUVTQNOIPLJZ-UHFFFAOYSA-N 400.931 5.101 0 40 HKAB Clc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)o2)c(Cl)c1 20759881 YMQODUJCROMISS-UHFFFAOYSA-N 405.266 5.386 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1OC[C@@H]1CCCO1 21531297 JAXUFSFQKWTTBP-IBGZPJMESA-N 414.461 5.305 0 40 HKAB Cc1c(C)n(Cc2ccncc2)c2ncn3nc(-c4ccc(C(C)(C)C)cc4)nc3c12 21801067 RDQJGBQENZWAOQ-UHFFFAOYSA-N 410.525 5.104 0 40 HKAB Clc1ccc([C@H](c2ccccc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 22026394 ZSQANMZWGKYDER-ZRFNAWPJSA-N 402.969 5.760 0 40 HKAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(Br)cc2)no1 27794255 JVEIDPUWRQTCQG-INIZCTEOSA-N 419.250 5.039 0 40 HKAB Cc1ccc(Cn2nccc2NC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)cc1 28292886 ZFWSOBIGAIKBDO-UHFFFAOYSA-N 412.493 5.026 0 40 HKAB Cc1cc2occ(CC(=O)NCc3ccc(NC(=O)C4CC4)cc3)c2cc1C(C)C 30966131 CDWPTQAVNQDJNQ-UHFFFAOYSA-N 404.510 5.072 0 40 HKAB CC1(C)C[C@@H](NCC[C@](C)(c2cccc(C(F)(F)F)c2)c2cccs2)CCO1 32088223 XSYUWWKDVJBTIA-GHTZIAJQSA-N 411.533 6.010 0 40 HKAB COc1ccc([C@H](CNC(=O)c2ccc(-c3ccccc3Cl)o2)N2CCCC2)cc1 32732010 BWNYMWXRMJNYHR-NRFANRHFSA-N 424.928 5.176 0 40 HKAB O=C1S/C(=C/c2cccn2-c2ccc(O)cc2)C(=O)N1Cc1ccc(Cl)cc1 33663593 DINDFRUKLZXXKW-XDHOZWIPSA-N 410.882 5.073 0 40 HKAB O[C@H](c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1ccco1 35178127 QVVJWTUOKPPMEO-AREMUKBSSA-N 406.485 5.398 0 40 HKAB COc1ccc(-n2nc(C)c3c(C(=O)Nc4cc(Cl)ccc4C)cc(C)nc32)cc1 36616464 JCLIABHKJCDDTH-UHFFFAOYSA-N 420.900 5.260 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(SC2CCCC2)cc1 40072091 QWXLQMOAFWHSHD-QHCPKHFHSA-N 406.551 5.624 0 40 HKAB O=C(CCCc1nc(-c2cccs2)no1)Nc1ccc(NCC2CCCC2)cc1 58227308 HRBMPJWEQYRXNZ-UHFFFAOYSA-N 410.543 5.362 0 40 HKAB O=C(OCc1csc(-c2ccsc2)n1)c1cccnc1Nc1cccc(F)c1 61563499 OFPVZTBOIBHACM-UHFFFAOYSA-N 411.483 5.506 0 40 HKAB Cc1cc(C)c(NC(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)c(C)c1 64788026 HGWDREGOWNFALT-UHFFFAOYSA-N 423.925 5.254 0 40 HKAB COc1cccc(C(=O)N[C@H](C)c2cc(F)c(Cl)cc2Cl)c1OC(F)F 69231123 CRBAJVFMZMHCOT-MRVPVSSYSA-N 408.203 5.234 0 40 HKAB CCCCN(C(=O)c1cccc(CN2C(=O)CSC2=O)c1)[C@@H](CC)c1ccccc1 72285126 VJSVDRGHNHNMRS-NRFANRHFSA-N 424.566 5.276 0 40 HKAB CCC[C@@H](CNC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1 72427524 NLSUOEVDVZOXHE-QFIPXVFZSA-N 407.941 6.233 0 40 HKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=S)Nc1ccc(Cl)cc1 90500380 ZHYOBIURHVHBLT-UHFFFAOYSA-N 416.955 6.054 0 40 HKAB COc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3cccs3)C[C@@H]21 105975455 FPNIYRJNWXBKMF-AVRDEDQJSA-N 408.548 5.721 0 40 HKAB CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O 106688619 HLHCPNUWYBTBMI-YVLHZVERSA-N 408.306 5.629 0 40 HKAB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4cccc(C)c4)C3=O)o2)cc1 106706958 CTGCFYWJXGDQRN-MOSHPQCFSA-N 421.543 6.284 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CC(c1ccccc1)c1ccccc1 219130837 PWCSWBVLFWORGU-XMMPIXPASA-N 415.533 5.636 0 40 HKAB CCc1ccc([C@@H](C)NC(=O)COc2ccc3ccccc3c2Br)cc1 222917288 GCMXYLLBRYJXEC-OAHLLOKOSA-N 412.327 5.421 0 40 HKAB C[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc2c(c1)CCCC2 222981455 FKCGKDBRRWWYIR-GOSISDBHSA-N 419.952 6.289 0 40 HKAB CC[C@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc2c(c1)CCCC2 223103278 NCSYXKRXDGXIBH-SANMLTNESA-N 404.598 5.353 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)cc1 223403681 FXMITRPMKCFYHQ-OAQYLSRUSA-N 403.591 6.704 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(Cl)cc2)cc1 223642008 NVSZDKDLJGRGFS-UHFFFAOYSA-N 424.305 5.595 0 40 HKAB O=C(CCSc1ccc(Cl)cc1)Nc1nnc(SCc2ccccc2)s1 224062616 XHRKGSLTFZIPCC-UHFFFAOYSA-N 422.000 5.605 0 40 HKAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(C)C)cc2)c1 224114426 FRYNVADIWXMGED-UHFFFAOYSA-N 422.550 5.196 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COCc1ccccc1 224460747 KEYQWMAGURQQSW-UHFFFAOYSA-N 416.304 5.971 0 40 HKAB CCOc1ccc(C(=O)N2CCCCCC2)cc1COc1ccccc1C(C)(C)C 224513921 BEQMPPCJDDYEKV-UHFFFAOYSA-N 409.570 5.978 0 40 HKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C(C)C)c1C 224563506 ZWUJMLJRNSLHHF-PKTZIBPZSA-N 420.582 5.267 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1OCC 224615270 XGVXSRQYQKWXKU-MSOLQXFVSA-N 411.542 5.008 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COCc1ccccc1 224748883 LWVJRYFCQSYCCP-UHFFFAOYSA-N 405.494 5.453 0 40 HKAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccccc3Br)o2)cc1 224857418 SDFKOCRWAYZGHQ-UHFFFAOYSA-N 415.287 5.074 0 40 HKAB O=C(Nc1ccc(N2CCCC2)cc1)c1cccc(OCc2ccccc2Cl)c1 224928441 GFZPWZDDOXVJJT-UHFFFAOYSA-N 406.913 5.772 0 40 HKAB Cc1cc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1Br 225405266 YFQAGXBPDNZXJW-CQSZACIVSA-N 405.405 6.103 0 40 HKAB CC(C)Oc1cccc(CNC(=S)Nc2ccc(Br)c(Cl)c2)c1 225523883 ASZRTSLZNFLGIX-UHFFFAOYSA-N 413.768 5.376 0 40 HKAB CCSc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225583780 DARKBYMYLJFWOJ-UHFFFAOYSA-N 406.954 5.442 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C(=O)OC 225758518 HTUIVQSSUUYIOL-UHFFFAOYSA-N 423.553 5.801 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(N3Cc4ccccc4C3=O)cc2Br)cc1 226287836 PGKMTIVDIRWJLC-UHFFFAOYSA-N 421.294 5.170 0 40 HKAB Nc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3Br)o2)c(Cl)c1 227157852 UAEDDDMPDXMQCV-UHFFFAOYSA-N 409.642 5.336 0 40 HKAB CCCc1s/c(=N\C(=O)c2ccc(OC)cc2)n(CC)c1-c1ccc(C)c(C)c1 408562132 NCBZJNQKKLKIAH-IZHYLOQSSA-N 408.567 5.556 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1cccc(Br)c1)N2 408996853 FFVFSFYQIHMUFI-ILWGZMRPSA-N 420.306 5.618 0 40 HKAB CCc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 409111743 DTNYTOLJVUYTAR-UHFFFAOYSA-N 414.318 6.342 0 40 HKAB CCOc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1cccc(F)c1 409206952 NSBAPWWJQMVPHE-UHFFFAOYSA-N 403.856 6.208 0 40 HKAB COc1ccc(-c2cccc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c2C)cc1 643586899 JQRBMFXBVWEYDK-UHFFFAOYSA-N 408.501 5.909 0 40 HKAB CCC(=C(c1ccc(OCOC)cc1)c1ccc(OCOC)cc1)c1ccccc1 1740818987 PJZYMPXASRLQDI-UHFFFAOYSA-N 404.506 6.021 0 40 HKAB Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccc(F)c(Cl)c4)n3c2c1 903108 OBBDZLJPIYUWMY-UHFFFAOYSA-N 414.893 5.023 0 40 HKAB O=c1n(-c2ccccc2)c2nc3ccccc3nc2n1-c1ccc(Cl)c(Cl)c1 1585497 LNVSPWOZRRMMHU-UHFFFAOYSA-N 407.260 5.031 0 40 HKAB CCN1CC[C@@](CCOC)(CN2c3ccccc3Sc3ccc(Cl)cc32)C1 1726496 NJAXYLBHGRUHJR-QFIPXVFZSA-N 402.991 5.691 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc4ccccc4c3)c2)cc1 2062663 YXSFRHDSCMAJNE-UHFFFAOYSA-N 422.528 6.642 0 40 HKAB CCCOC(=O)c1ccc(Oc2coc3cc(OCC=C(C)C)ccc3c2=O)cc1 2107389 NZBPAJMBGVZIQZ-UHFFFAOYSA-N 408.450 5.497 0 40 HKAB biogenic Cc1cccc(NC(=O)c2c(N)n(-c3cccc(C)c3)c3nc4ccccc4nc23)c1 2296938 RSNCXGGKVQBCKO-UHFFFAOYSA-N 407.477 5.025 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3nnc(CC(C)(C)C)s3)c3ccccc3n2)o1 2749373 CQTWINYDEHBHIQ-UHFFFAOYSA-N 406.511 5.496 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2)cc1 2961411 DRGAJFONUHFVHL-UHFFFAOYSA-N 403.507 5.790 0 40 HKAB Fc1ccc(-c2nn(-c3ccccc3)cc2CNC(=S)Nc2ccccc2)cc1 3214510 WKHSOKZABURKAX-UHFFFAOYSA-N 402.498 5.165 0 40 HKAB Cc1cccc(-n2c(SC[C@H]3CCCCO3)nnc2-c2c[nH]c3ccccc23)c1 3313388 QFWGIUSBTDECAY-GOSISDBHSA-N 404.539 5.385 0 40 HKAB Cc1cc(C(=O)CSc2nnc(C)n2-c2ccccc2)c(C)n1Cc1ccccc1 3457351 AAIASVMLMRHUTN-UHFFFAOYSA-N 416.550 5.017 0 40 HKAB CCCSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1C1CCCCC1 4087475 QYTYWCIRJNLNLQ-UHFFFAOYSA-N 416.635 5.118 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)cc1 4088741 RQJULJAEUCOKHV-UHFFFAOYSA-N 413.930 5.312 0 40 HKAB Fc1cccc(F)c1CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1 4358758 UCVQXIWSQWMETO-UHFFFAOYSA-N 413.880 6.158 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 5614089 RSAWXJWXOCBLEG-UHFFFAOYSA-N 422.912 5.733 0 40 HKAB Cc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccco4)ccc3Cl)nc2c1 5754679 IDEQBXXQBNLUQI-UHFFFAOYSA-N 411.870 5.176 0 40 HKAB CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 6560136 DDPXQVORDSYBDT-QGZVFWFLSA-N 420.534 5.343 0 40 HKAB Cc1csc(N(C(=O)c2ccccc2OCc2c(C)noc2C)c2ccccc2)n1 6589509 KLPUZPPFRVXOLA-UHFFFAOYSA-N 419.506 5.614 0 40 HKAB COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2OC)cc1Br 6846892 TUWGUQGQVJYVBP-UHFFFAOYSA-N 405.075 5.025 0 40 HKAB CCN(CC)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)CO3 7078817 VJFGGWOKLQTXAV-UHFFFAOYSA-N 418.566 5.714 0 40 HKAB COc1ccc(-c2cc(NC(=O)c3cc(Cl)c4c(c3)OCO4)ccc2OC)cc1 7639593 PLACWGKJEXNQIL-UHFFFAOYSA-N 411.841 5.005 0 40 HKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1sc2cc(F)ccc2c1Cl 7735509 KVTCRUJSTNINPX-UHFFFAOYSA-N 403.862 5.988 0 40 HKAB CCCc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccc(OC(F)F)cc3)o2)cc1 7787277 LLRZEEAFHYJOBU-CYBMUJFWSA-N 418.465 5.654 0 40 HKAB O=C(CSc1nnc(-c2cccnc2)n1C1CC1)c1ccc(C2CCCCC2)cc1 7799414 UMWFZCHCMFTNBZ-UHFFFAOYSA-N 418.566 5.698 0 40 HKAB COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NCc4cccc(Cl)c4)C3)c2C)cc1 8636092 SRKWLIWAJWBHFQ-TZIWHRDSSA-N 407.945 5.353 0 40 HKAB biogenic,in-vitro O=C(Oc1ccc(Cl)cc1Cl)c1cccc(N2C(=O)c3ccccc3C2=O)c1 8722513 KQVXAFIIFPTCTL-UHFFFAOYSA-N 412.228 5.013 0 40 HKAB Cc1ccc([C@@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2CCc2ccccc2)cc1 8917069 ALGYCLKBIZKRQA-XMMPIXPASA-N 409.485 5.198 0 40 HKAB CCOc1cc(-c2nn3c(-c4cccc(C)c4)nnc3s2)cc(OCC)c1OCC 9227239 NDVZSLFKJPCHIS-UHFFFAOYSA-N 424.526 5.024 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(CN2CCCCC2)cc1 10328819 GQVJHJBOTKEVGO-UHFFFAOYSA-N 420.940 6.371 0 40 HKAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 10338486 CEPLNTLNSULJLV-UHFFFAOYSA-N 404.535 5.369 0 40 HKAB O=C(OCc1csc(-c2ccc(Cl)cc2)n1)c1ccccc1NCc1ccco1 12568379 FAMMQMXFXRIRMW-UHFFFAOYSA-N 424.909 6.026 0 40 HKAB C[C@H]1CCc2nc3ccccc3c(C(=O)O[C@@H](C)c3nnc(-c4cccs4)o3)c2C1 12857364 ZHOXXIIDLJKAJX-KBPBESRZSA-N 419.506 5.389 0 40 HKAB CC(C)c1ccc(CSc2nc3ccccc3c3nc(-c4cccnc4)nn23)cc1 13640149 NOWCTJQYRIRFCL-UHFFFAOYSA-N 411.534 5.755 0 40 HKAB Cc1cc(C)c(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c(C)c1 15881189 NRDQZDFVOKJCTB-UHFFFAOYSA-N 415.533 6.157 0 40 HKAB C[C@H](NC(=O)c1cc2sc3ccccc3c2s1)c1ccc(S(C)(=O)=O)cc1 16109490 RHHOZQLWEDQRIG-LBPRGKRZSA-N 415.561 5.011 0 40 HKAB CCCCOP(=O)(OCCCC)O/C(C)=C(\C)OP(=O)(OCC)OCC 17021739 NQXSXENOCUAGCU-FOCLMDBBSA-N 416.388 6.194 0 40 HKAB CSCCN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 19370925 OQIBCVFIRXSUFA-LJQANCHMSA-N 405.032 5.069 0 40 HKAB Fc1ccccc1OCCc1cc([C@@H]2CCCN2Cc2ccc3ncccc3c2)n[nH]1 19703634 ILAFSLUGIVIDJC-DEOSSOPVSA-N 416.500 5.056 0 40 HKAB Cc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20418847 DWSFMLYFOOVCCD-FQEVSTJZSA-N 418.884 5.610 0 40 HKAB Cc1ccccc1[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 20450133 CAUXBQZWHLLPJJ-CPJSRVTESA-N 401.550 5.966 0 40 HKAB COc1ccc(-c2cc(-c3ccc4ccccc4c3)nc3nc(C(F)(F)F)nn23)cc1 20635891 HCVFIOOVJMGLTO-UHFFFAOYSA-N 420.394 5.639 0 40 HKAB CC(C)C(=O)Nc1ccc2nc(SCCOc3ccccc3Cl)sc2c1 20895177 ZYWPEPQLKNMWCU-UHFFFAOYSA-N 406.960 5.715 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)Cn1nc(-c2ccc(F)cc2)n(C)c1=S 25139750 YBIONEUWNPDYJI-ZDUSSCGKSA-N 413.547 5.017 0 40 HKAB O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl 32992676 RSCPKONPOGGAFT-HXUWFJFHSA-N 410.304 5.584 0 40 HKAB CCOc1c(Br)cc(CNc2cccc(Cl)c2)cc1Br 34990097 MWPZKRPPTRCMIB-UHFFFAOYSA-N 419.544 5.876 0 40 HKAB COc1ccc(C)cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38849456 JGAXQKUSZBVCBZ-UHFFFAOYSA-N 407.341 5.161 0 40 HKAB CCc1cccc(CC)c1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38856224 SQPUCLOSKARYBX-UHFFFAOYSA-N 419.396 5.969 0 40 HKAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(CNC(=O)c2cccs2)cc1 40130705 AITUNHQHJALCRP-UHFFFAOYSA-N 418.971 5.055 0 40 HKAB Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1C 44856360 STTLQWAZWZHENR-KRWDZBQOSA-N 419.396 5.700 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C(C)=O)c1 49004975 ZYKJTWFIFPADPN-HXUWFJFHSA-N 416.525 5.289 0 40 HKAB CCc1ccc(C(=O)N2C[C@@H](C(C)C)N(C(=O)c3ccc(CC)o3)c3ccccc32)o1 72307945 KTAFTDFXKFQEAE-NRFANRHFSA-N 420.509 5.329 0 40 HKAB Clc1ccc(-c2ccc(-c3nc4cc(Cl)ccc4[nH]3)o2)c(Br)c1 85345378 HZHQGDOQHCHEHQ-UHFFFAOYSA-N 408.082 6.559 0 40 HKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CCCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 90377488 IVFWZYOGAYVLRF-PYYGYTMVSA-N 408.623 6.165 0 40 HKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101986851 AIAACAPGUYHRFB-FBAVSBLXSA-N 418.968 6.418 0 40 HKAB Cc1cccc(N2C(=O)/C(=C\Nc3cccc(C(F)(F)F)c3)c3ccccc3C2=O)c1 103006664 ONMGOJATTTWNLX-STZFKDTASA-N 422.406 5.654 0 40 HKAB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=N/Nc1c(Cl)cc(Cl)cc1Cl 107814894 JZKXOPMXIJXMOK-KGENOOAVSA-N 416.095 5.491 0 40 HKAB CC[C@@H](NC(=O)C1CCN(Cc2cccc(C)c2)CC1)c1ccc2c(c1)CCCC2 223103215 NCSYXKRXDGXIBH-AREMUKBSSA-N 404.598 5.353 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1cccc(OC)c1 224593997 LSZQWJDCKMCLAV-UHFFFAOYSA-N 411.542 5.516 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1cc(C)cc(C)c1C 224608169 TYDCKHACYZFSOY-UHFFFAOYSA-N 417.549 6.459 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)N[C@H](C)CC)cc1 225550121 LNOKWGXXTVYRHS-PXDATVDWSA-N 422.613 5.212 0 40 HKAB CN(Cc1ccc(Cl)cc1)C(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225589116 QSJCLQABYUXPQY-UHFFFAOYSA-N 409.332 5.003 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C(=O)OC 225798196 ZIHOYEDUTZCISD-KRWDZBQOSA-N 407.551 5.066 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 225865784 WYZQOKOYCQRPEC-GOTSBHOMSA-N 423.597 6.340 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(OCCN3CCC[C@H](C)C3)cc2)CCC[C@@H](C)C1 260814461 IOWJIHRAIYEEDN-TYBLODHISA-N 416.606 5.111 0 40 HKAB CCN(C(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)c1ccccc1 408546696 NAPKIQPOHDFMKU-UHFFFAOYSA-N 417.456 5.308 0 40 HKAB COc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 408552973 MFWHOGLIJFUTJQ-UHFFFAOYSA-N 424.880 5.276 0 40 HKAB O=C(COc1ccc(CNc2ccc(Cl)cc2)cc1Cl)Nc1ccccc1F 408557620 PQAHCWJWPDFACJ-UHFFFAOYSA-N 419.283 5.762 0 40 HKAB COc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1Br 408628859 DZEBMTMXLNCMEK-CQSZACIVSA-N 403.320 5.089 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2cccc(C)c2)c1 408697033 DVGOEFOIDWLZMZ-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CC1=CC(/C=C2\SC(=O)N(C)C2=O)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1 408808118 DHMLHRYVUMQZDX-SINAZASISA-N 417.530 5.835 0 40 HKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)cc1 409121736 ZSOGVVLYQRJEEK-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1csc(Nc2cc([C@@H]3CCCCN3C(=O)/C=C/c3ccccc3)nc(C)n2)n1 585291401 CDRXPOWPPIYHAA-SGWGQVFISA-N 419.554 5.061 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 648851 OJGISITYAGAVHR-UHFFFAOYSA-N 403.960 5.263 0 40 HKAB CC1=C(C(=O)OCC2CCCCC2)[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1 706471 RRIQTFUYTZJKQQ-QHCPKHFHSA-N 420.509 5.230 0 40 HKAB O=C(CSc1ncc(-c2ccc(Cl)cc2)n1C1CCCC1)N1CCCCC1 1340032 UEQIKRFLHLYQMT-UHFFFAOYSA-N 403.979 5.423 0 40 HKAB COc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC 1509649 FWOKNTWRHIULSQ-UHFFFAOYSA-N 404.491 5.541 0 40 HKAB On1c(-c2ccccc2)c([C@@H](Nc2ccccn2)c2ccc(F)cc2)c2ccccc21 1796969 KCVCAEJFWRYBMV-VWLOTQADSA-N 409.464 6.281 0 40 HKAB Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(Cl)c2)sc1C 2258157 CWKAMFMFGMNOJK-SFHVURJKSA-N 422.893 5.270 0 40 HKAB CC[C@]1(C)Cc2c(sc3nc(SC(C)C)nc(NC[C@H]4CCCO4)c23)CO1 2428833 AKYUMCJGGKVLND-ZUOKHONESA-N 407.605 5.024 0 40 HKAB Cc1nc(S[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)nc(C)c1C 3362764 JSBLUHFVTRAQIZ-FQEVSTJZSA-N 405.567 5.111 0 40 HKAB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)N[C@@H]1c1c(F)cccc1Cl 3418898 HUVXTRRLIIOAJM-SFHVURJKSA-N 423.271 5.241 0 40 HKAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)o1 3613987 ZHQBVRLLYNDAGB-ACJLOTCBSA-N 400.931 5.675 0 40 HKAB COc1cc(CNCC[C@H](CCC(C)C)[C@H]2CCOC(C)(C)C2)ccc1OC(C)C 4088814 SELYHBJLSFPMJC-GOTSBHOMSA-N 419.650 6.220 0 40 HKAB biogenic Cc1c([C@@H]2NC(=O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)c2ccccc2n1C 4107149 QIBIRLHEBQQGBA-SPLOXXLWSA-N 407.583 5.553 0 40 HKAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c(C)cccc23)cc1 4130159 UDAGDIWHPRWPFZ-UHFFFAOYSA-N 415.518 5.345 0 40 HKAB CCOc1ccc(-c2nc(Cl)c3c(C[C@@H](C)CC)c(C)sc3n2)cc1OC 4204701 KHZYOKOAXKIQQE-LBPRGKRZSA-N 404.963 6.316 0 40 HKAB CCN(CC)CCN(C(=O)c1c(F)cccc1F)c1nc2cc(C)cc(C)c2s1 4359502 FGNAURXVFVAXJQ-UHFFFAOYSA-N 417.525 5.180 0 40 HKAB Cc1ccc(C)c([C@@H](NC(=O)C(C)(c2ccccc2)c2ccccc2)c2ccccc2)c1 4715895 LKYOUFSONIPIEN-NDEPHWFRSA-N 419.568 6.515 0 40 HKAB Cc1nc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)n(C2CCCC2)c1C 5089910 JGNQEMIQYOJUHM-UHFFFAOYSA-N 412.603 5.336 0 40 HKAB Cc1cc(CSc2nnc(COc3c(C)cccc3C)n2-c2ccccc2)no1 5260291 WULPLLCDDLRVOL-UHFFFAOYSA-N 406.511 5.052 0 40 HKAB O=C(COc1ccccc1F)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 5526143 FJPHBQRGPJCXIG-XJUJFRCLSA-N 420.440 5.214 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 5727343 AWNRSLWRHYHZMD-UHFFFAOYSA-N 408.885 5.632 0 40 HKAB O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1 5946832 KKPNVLZVLQDOOK-VWLOTQADSA-N 401.575 6.001 0 40 HKAB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 6051512 BXWVTQNKYFCGLP-NRFANRHFSA-N 405.325 5.258 0 40 HKAB O=C(NCCCc1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2)n1 6111549 FOAGZLIQMRAMQG-UHFFFAOYSA-N 405.501 5.746 0 40 HKAB biogenic Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(Br)cc1 6255591 UQILDYXMCYUCGV-UHFFFAOYSA-N 408.255 5.213 0 40 HKAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cccc(-c2nnc3n2CCCCC3)c1 6278100 JQQOMGUAIGNVNG-UHFFFAOYSA-N 415.324 5.160 0 40 HKAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2ccccc2Cc2ccccc2)s1 7344781 YRXMIJOTGOWBJW-UHFFFAOYSA-N 416.521 6.030 0 40 HKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 7495422 LHPNTJTYCZGFSK-QHCPKHFHSA-N 406.913 6.264 0 40 HKAB O=C(/C=C/c1cnn(-c2ccccc2)c1)N1CCc2sccc2[C@H]1c1cccs1 7948453 BDZGHLQXFGHMCK-YVSHKSEASA-N 417.559 5.183 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)c4ccc(C)c(C)c4)ccc3o2)cc1OC 8903816 ZAMRRDBNKPPKRJ-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc2cc(Cl)ccc2o1 9305660 FTNHCIJKHAXGRH-UHFFFAOYSA-N 410.813 5.192 0 40 HKAB CCN(CC)P12(Oc3ccccc3O1)O[C@@H](c1ccccc1)O[C@H]2c1ccccc1 9350992 PRSHBXLJYQRYQW-BJKOFHAPSA-N 423.449 6.457 0 40 HKAB CCN(CC)S(=O)(=O)c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)cc1 11916943 IJGSODJVAUCBQY-UHFFFAOYSA-N 406.960 5.161 0 40 HKAB O=C(Oc1c(-c2ccccc2)nc2ccccc2c1-c1ccccc1)c1ccccc1 12544130 OKUYAYXZMIWTFW-UHFFFAOYSA-N 401.465 6.788 0 40 HKAB Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@@H](c1ccco1)O2 13036354 VREJKRONEZOCFX-RDTXWAMCSA-N 401.285 5.346 0 40 HKAB CC(=O)Nc1nc(-c2cccc(NC(=O)c3ccc(-c4cccc(F)c4)o3)c2)cs1 13946349 ZNCRXOCPZDUXIO-UHFFFAOYSA-N 421.453 5.420 0 40 HKAB CC(=O)c1cc(Br)ccc1OCc1ccc(C(=O)Nc2ccccc2)cc1 14095448 OQRVJPKVGGGBPE-UHFFFAOYSA-N 424.294 5.483 0 40 HKAB CCc1nn2c(c1-c1ccc(F)cc1)N=C(C)C[C@H]2c1cc(OC)c(OC)c(OC)c1 14607127 AGCAODFBYBBKFN-IBGZPJMESA-N 423.488 5.363 0 40 HKAB O=C(/C=C/c1cccc2cccnc12)OCc1ccc(C(=O)Nc2ccccc2)cc1 14898084 ZMFCCZJLLAWWRY-FOCLMDBBSA-N 408.457 5.244 0 40 HKAB COc1cc(NC(=O)CCCSc2ccc(Cl)cc2)c(OC)cc1Cl 15970547 FTZQRMIYJXGSOV-UHFFFAOYSA-N 400.327 5.522 0 40 HKAB Oc1nc(Nc2ccc(Nc3ccccc3)cc2)nnc1Cc1ccccc1Cl 16777363 COUXQFJDWOPJHA-UHFFFAOYSA-N 403.873 5.309 0 40 HKAB C[C@@H]1CCCCN1c1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 17087485 MUPWRQHYBCJUAF-HXUWFJFHSA-N 406.570 6.131 0 40 HKAB COC(=O)c1c(Nc2nc3ccccc3nc2N2C[C@@H](C)C[C@@H](C)C2)sc(C)c1C 18045568 ZYBFZSAHTNBEPH-OKILXGFUSA-N 424.570 5.321 0 40 HKAB CCn1cc(CN2CCCCC[C@@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)c(C)n1 19524550 SZUNTWYHWJYKFG-OAQYLSRUSA-N 424.545 5.001 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc2nn(-c3ccccc3)nc2c1 20609884 RKWAUMIZIJFWIR-NTCAYCPXSA-N 424.435 5.472 0 40 HKAB FC(F)(F)c1cc(-c2cccs2)nc(N2CCC(Cc3ccccc3)CC2)n1 20798192 MZHOHHUOTBVFKQ-UHFFFAOYSA-N 403.473 5.683 0 40 HKAB Cc1cc(CSc2ncccc2C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)no1 26367195 GFJWMXMIZGFNBX-LBPRGKRZSA-N 422.337 5.468 0 40 HKAB Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3cc(F)ccc3F)n2)cc1 32578823 UNOVYHOWLKGFKM-UHFFFAOYSA-N 421.403 5.155 0 40 HKAB O=C(c1ccc(C2SCCCS2)cc1)N1CCSc2ccc(Cl)cc21 32801988 YBTTYVTXPGQDRC-UHFFFAOYSA-N 408.013 5.961 0 40 HKAB O=C1[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccccc1 35196425 DNSLOEAIBOMUHM-USXZWKKNSA-N 403.481 5.110 0 40 HKAB CCn1nc(C)c2c(C(=O)Nc3cccc(C(C)=O)c3)cc(-c3ccc(C)cc3)nc21 36616622 AMQGPZWRWGFYFL-UHFFFAOYSA-N 412.493 5.190 0 40 HKAB CCc1ccc(C(=O)C[C@H](C(C)C)[C@@H](C=C(C)C)C(=O)c2ccc(CC)cc2)cc1 39379242 AVPTTZVZGLVZKB-CLJLJLNGSA-N 404.594 7.122 0 40 HKAB CCCn1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c(=O)c2ccccc21 64963682 XRVTWHXVCCECBO-UHFFFAOYSA-N 415.371 5.027 0 40 HKAB CC(C)OCCCn1c(SCc2cccc(Cl)c2)nc2ccccc2c1=O 67259127 BJVXXFSLDNLWSC-UHFFFAOYSA-N 402.947 5.157 0 40 HKAB C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4=CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 70691696 QCVKYDNFSXDPSW-NGAWEBMDSA-N 414.630 5.714 0 40 HKAB biogenic Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC(c3nc(-c4ccccc4)c(C)o3)CC2)c1 72304926 YCKPBRUMJGFKSE-LJQANCHMSA-N 417.553 5.473 0 40 HKAB Cc1ccc(CNC(=O)c2ccc3onc(-c4coc(-c5cccs5)n4)c3c2)o1 96154378 QEJXROARUSDWEY-UHFFFAOYSA-N 405.435 5.043 0 40 HKAB Cc1c(-c2nnc3sc(COc4ccc5ccccc5c4)nn23)oc2ccccc12 96194362 AFYAGMRAEXHXSH-UHFFFAOYSA-N 412.474 5.640 0 40 HKAB Brc1ccc(-c2cs/c(=N\c3nccs3)n2-c2ccccc2)cc1 100055292 LDDHMMAWVRXJFJ-UZYVYHOESA-N 414.353 5.657 0 40 HKAB C[C@H]1C[C@@]2(C)Oc3ccccc3[C@H]3OC[C@]1(COC(=O)Nc1ccccc1)[C@@H](C)[C@@H]32 100742267 UONFBIWUOHBYQS-HWYJMBFKSA-N 407.510 5.436 0 40 HKAB Clc1cccc(Cl)c1[C@H]1C=C(c2ccc(Br)cc2)Nc2ncnn21 101070077 SBQTWAIJAVKUNY-OAHLLOKOSA-N 422.113 5.403 0 40 HKAB CCOc1ccc2c(c1)-c1c(ss/c1=N/c1ccc(C(C)C)cc1)C(C)(C)N2 101477743 NWCSRYQSSOCRMP-ZNTNEXAZSA-N 410.608 6.892 0 40 HKAB CC[C@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccc(C)c(C)c1 218844658 IDRDQXJVWYSRQR-IBGZPJMESA-N 404.348 5.329 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N(CC)Cc1nc(-c2cccs2)no1 219344484 ZIMNJKFWUGUPOX-GOSISDBHSA-N 421.522 5.157 0 40 HKAB Cn1c(Cl)nc2cc(C(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)ccc21 222554801 YXMHKTMHRRDLJA-UHFFFAOYSA-N 400.265 5.070 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1cc(C)cc(C)c1C 224277321 GCGBSAKKDKGLSF-UHFFFAOYSA-N 423.940 6.414 0 40 HKAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccccc1Cl 224478559 KGOKQHHHBNZGJH-UHFFFAOYSA-N 417.839 5.848 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1cccc(Cl)c1 224488199 CRFUETCINRDJKI-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1cc(C)cc(C)c1 224536776 AVMMPDHXIQAOQK-UHFFFAOYSA-N 415.533 5.480 0 40 HKAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)CCc1ccc(Cl)cc1 225312594 JRMOLUPMTIVGAI-UHFFFAOYSA-N 411.933 5.279 0 40 HKAB CCC1(CC)C[C@H](NC(=O)CSCc2ccc(Cl)cc2)c2ccccc2O1 225608657 XIOOJYRCIQBJMF-IBGZPJMESA-N 403.975 5.772 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)c(C)c1 408695877 UMYJMCPJWWJQRK-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(Br)cc2)S1 408819061 WNMWGGWZVOIRJC-UHFFFAOYSA-N 408.728 5.174 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C1\SC(=O)N(Cc2ccc(C)cc2)C1=O 409050837 AXNMKPZSGARJNH-PXNMLYILSA-N 408.306 5.547 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Cl)c1O 409139076 MCBLYFHTRJNJMY-QGOAFFKASA-N 417.914 5.113 0 40 HKAB Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccncc1 409202237 QQCPLJAPNCOGDU-YBFXNURJSA-N 409.898 5.383 0 40 HKAB O=C1CS[C]2NC3=C(CCC/C3=C\c3ccc(F)cc3)[C@@H](c3ccc(F)cc3)N21 409416310 LNGDBAHVYDRASI-CNCHJIQNSA-N 409.481 5.153 0 40 HKAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1c(-c2ccccc2)nc2ccccn12 545994418 PSUIBYPYTPJYMZ-UHFFFAOYSA-N 408.461 5.228 0 40 HKAB CCn1c(COc2ccc(OC)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 797497 AIBNEJVVCQTLQN-UHFFFAOYSA-N 424.353 5.485 0 40 HKAB Cc1ccc(NC(=O)c2sc3[nH]c(=S)n(-c4ccccc4)c(=O)c3c2C)c(C)c1 1068769 IXFICOWPQHHWAI-UHFFFAOYSA-N 421.547 5.287 0 40 HKAB CC(C)c1ccc(-c2noc([C@H]3CCCN(C(=O)c4c(F)cccc4F)C3)n2)cc1 1359939 LOGMCLDIQGQBTL-KRWDZBQOSA-N 411.452 5.158 0 40 HKAB Cc1cc(Br)ccc1-n1c(-c2ccco2)nc2nc3ccccc3nc21 2239249 VCYOEAYJJAYCSD-UHFFFAOYSA-N 405.255 5.300 0 40 HKAB CCSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCCC1)Cc1ccccc1-2 2295690 VDDMRDHRVKPUEB-UHFFFAOYSA-N 416.590 6.078 0 40 HKAB CCOc1ccccc1C(=O)CSc1cc(C)nc2c(-c3ccccc3)c(C)nn12 2402381 DZHMWLKQHLPRKF-UHFFFAOYSA-N 417.534 5.387 0 40 HKAB CC(C)(C)CC(C)(C)NC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F 3013002 LKKYNGHAJCLEKD-ZFWWWQNUSA-N 412.456 5.081 0 40 HKAB c1ccc(-c2ccccc2O[C@H]2OCCO[C@@H]2Oc2ccccc2-c2ccccc2)cc1 3172662 YAXDSMYNNBMXKF-VSGBNLITSA-N 424.496 6.177 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCc3c(F)cccc3Cl)c3ccccc3n2)cc1 3317174 FCHUAYLKLPHSJT-UHFFFAOYSA-N 405.856 6.360 0 40 HKAB CCOC(=O)c1sc(NC(=O)c2ccccc2-c2nc3ccccc3s2)cc1C 3356917 YKIQBBNOJVTALO-UHFFFAOYSA-N 422.531 5.762 0 40 HKAB CC[C@H](c1nnc(SCc2c(F)cccc2Cl)n1Cc1ccccc1)N(C)C 3551755 UJLZOULPCADYGK-LJQANCHMSA-N 418.969 5.424 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 4076634 OVXIYYHWDIELOH-UHFFFAOYSA-N 416.480 6.946 0 40 HKAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)NCc3ccccc3)c2c1 4610385 JHZZYIGWKFBNRV-UHFFFAOYSA-N 400.909 6.048 0 40 HKAB CC(C)(C)c1ccc(C2=N/C(=C/c3cccc(OCc4ccccc4)c3)C(=O)O2)cc1 4646461 MUJSMKGHUQVYLZ-JJIBRWJFSA-N 411.501 5.908 0 40 HKAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(nc3ccccc32)N1 4741589 NCYOKWUKAHDOMQ-HSZRJFAPSA-N 403.526 5.792 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3ccccc3)C(=O)C3CCCCC3)cc2c1 4861275 LBGUGHBSSQOIKN-UHFFFAOYSA-N 420.984 6.614 0 40 HKAB Cc1ccc(COC(=O)c2[nH]c3c(c2C)C(=O)C[C@H](c2ccccc2Cl)C3)cc1 4911787 YDIIKXNBUZIGTJ-QGZVFWFLSA-N 407.897 5.555 0 40 HKAB COc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccccc12)Cc1ccco1 4920557 FXYGPPDZYJFHNU-UHFFFAOYSA-N 419.550 5.520 0 40 HKAB CCSc1nnc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)s1 5909077 VRZXVSGIHOMSHX-UHFFFAOYSA-N 406.536 5.426 0 40 HKAB Cc1c([C@@H]2c3ccccc3C(=O)N2CCc2ccc(Cl)cc2)c2ccccc2n1C 6235709 XAMUCMFXFUELSO-VWLOTQADSA-N 414.936 5.928 0 40 HKAB Fc1ccc(CSC(=S)Nc2ccc(I)cc2)cc1 6512359 MWRWCAYPEMMNMV-UHFFFAOYSA-N 403.285 5.061 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2c(C)n(C)c4ccccc24)N3)C1 6709524 ZLRQUDPTRBTIHB-QRQCRPRQSA-N 421.610 6.518 0 40 HKAB Cc1cc2sc(NC(=O)COc3ccc(Cl)cc3Cl)nc2cc1Cl 6826354 ZIASNSJSHXIYGX-UHFFFAOYSA-N 401.702 5.582 0 40 HKAB Cc1ccccc1CN(C)Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 7004357 MZEPMVXRFBYALK-UHFFFAOYSA-N 409.942 5.245 0 40 HKAB COc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)ccc1OCCc1ccccc1 7540041 DBPOWTOIQGZGMO-VLTVRWITSA-N 419.609 6.155 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CN1c1ccc(Cl)cc1 7544562 TUXCLWLELDFJFJ-IBGZPJMESA-N 421.972 6.181 0 40 HKAB COc1ccc(-c2nnc([C@H](C)Sc3nc(C4CC4)n(-c4ccccc4)n3)o2)cc1 7692191 YCGQVERADDFXIT-AWEZNQCLSA-N 419.510 5.057 0 40 HKAB Cc1ccc(C(=O)C[C@@H](c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 8475344 OHZCTPVYQBIBFP-QHCPKHFHSA-N 412.938 5.745 0 40 HKAB Cc1cccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2cccc(Cl)c2C)c1 8476652 ZKJZNRMYQLQQOO-UHFFFAOYSA-N 416.912 5.135 0 40 HKAB Cc1ccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2cc(Cl)ccc2C)cc1 8476762 INIBVCBNDKEXTA-UHFFFAOYSA-N 408.933 5.267 0 40 HKAB Cc1ccccc1NC(=O)OCc1cccnc1Sc1ccc(Cl)cc1Cl 8857074 YOWNXRMZYBATKG-UHFFFAOYSA-N 419.333 6.597 0 40 HKAB Cc1c(C(=O)c2ccc(Cl)cc2)oc2cc(NC(=O)c3ccccc3Cl)ccc12 9659934 DRLHENPHHXFJGA-UHFFFAOYSA-N 424.283 6.531 0 40 HKAB biogenic COc1ccc(Br)cc1CSc1nnc(-c2cccs2)n1C1CC1 9711750 KWJHPCWOSJZYLD-UHFFFAOYSA-N 422.373 5.405 0 40 HKAB CCCCCCOc1ccccc1C(=O)Nc1cccc(C(=O)NC2CCCCC2)c1 10280215 RWXAFUSTJQIOEO-UHFFFAOYSA-N 422.569 5.961 0 40 HKAB Cc1noc(C)c1CSc1ncccc1C(=O)NCc1ccc(Cl)cc1Cl 12901846 FLXMKZYBNAQRAS-UHFFFAOYSA-N 422.337 5.216 0 40 HKAB COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)c(OC)c1 13855786 LCUQOBJQOATGHW-UHFFFAOYSA-N 404.491 5.541 0 40 HKAB CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3C(F)(F)F)c2c1 13899804 DKIBGAJSKVTHMV-UHFFFAOYSA-N 420.434 6.735 0 40 HKAB CCOc1ccc([C@@H]2CCCN2Cn2[nH]c(/C=C/c3ccc(C)o3)nc2=S)cc1 14189473 RFAFYUSGMDGQMC-SJFMBGHLSA-N 410.543 5.206 0 40 HKAB Fc1ccccc1CCNCc1c(OCc2ccccc2F)ccc2ccccc12 16525962 KJLWUDUJNHQGEZ-UHFFFAOYSA-N 403.472 6.029 0 40 HKAB CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1CCCCCC1 17082549 PIKKPEONNHAVRU-UHFFFAOYSA-N 402.585 5.088 0 40 HKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)[C@H](C)c3ccccc3)c2)cc1 19691337 BWPVRGDUYUQBKB-CLOONOSVSA-N 400.522 5.533 0 40 HKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)c2)cc1 19691341 SBQZIDOTSLOJHX-XMMPIXPASA-N 404.485 5.111 0 40 HKAB Cc1cc(C(=O)O)ccc1NC(=O)/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 20151076 GUUUIRNDEDQOBE-JXMROGBWSA-N 415.367 5.624 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(NC(=O)c2ccco2)ccc1C 21595423 XPQYAUCLEOFCBA-UHFFFAOYSA-N 419.264 5.408 0 40 HKAB CCOc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccccc1 22074530 AWCQYDRSZSTKAY-UHFFFAOYSA-N 413.920 5.789 0 40 HKAB COc1ccc([C@@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1OC 22514811 YNGAZTDAVAFTJY-GFCCVEGCSA-N 414.354 5.121 0 40 HKAB Cc1cc(NC(=O)[C@@H](N[C@@H]2CCSc3ccc(Cl)cc32)c2ccccc2)no1 23990081 HQZPESHGXDMVDB-XLIONFOSSA-N 413.930 5.143 0 40 HKAB O[C@H](CSc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc(F)cc1 25223806 YERUOPTWANWDMN-QGZVFWFLSA-N 400.475 5.462 0 40 HKAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1ccc2oc(C3CC3)nc2c1 25302119 ZKFYXDWUITUJKU-UHFFFAOYSA-N 407.470 5.452 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1C 28288007 YOYYZUOWJZTBHZ-INIZCTEOSA-N 414.958 5.207 0 40 HKAB COc1ccc(CCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 30751797 LNGMAJYSVBHXAN-UHFFFAOYSA-N 414.549 5.011 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1OCc1nc(-c2ccccc2)no1 32578537 CVUYYJWGQIBOBU-UHFFFAOYSA-N 419.868 5.530 0 40 HKAB COc1ccc(CC(=O)Nc2ccc(-c3nc(-c4ccc(Cl)cc4)no3)cc2)cc1 32623613 ZCCOILYLZCGTLH-UHFFFAOYSA-N 419.868 5.247 0 40 HKAB CN(C)[C@@H](CNC(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1Cl 32736318 CHZCQFDSLIBFLK-IBGZPJMESA-N 421.031 5.241 0 40 HKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2Cl)c1 33731809 XRIRODXUBUYMJS-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1ccc2ncsc2c1 35681636 IYJSMVCYXKGSFS-HSZRJFAPSA-N 421.449 5.400 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](c1cccs1)N1CCOCC1 40096362 GSKGZOHREYWREZ-FQEVSTJZSA-N 415.603 5.190 0 40 HKAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H](C)c1ccccc1F 40144941 QDEUMLZXNJBUOQ-ZDUSSCGKSA-N 416.905 5.592 0 40 HKAB CCc1cccc(Nc2cc(C(=O)N3CCCCC3)nc3cc(OC)c(OC)cc23)c1 44169069 MAMKNZFWGJRIDA-UHFFFAOYSA-N 419.525 5.184 0 40 HKAB CCCCOc1ccc(-c2cc3c(SCc4ccccc4Cl)nccn3n2)cc1 45925374 GGILDGMEKGAYGF-UHFFFAOYSA-N 423.969 6.521 0 40 HKAB COc1cc(Nc2cc(C(=O)N3CCC[C@@H](C)C3)nc3ccc(C)cc23)cc(OC)c1 48987718 XZGYBUZQQLLHKW-QGZVFWFLSA-N 419.525 5.176 0 40 HKAB Cc1csc(COc2ccc(C(=O)Nc3ccccc3OC(F)(F)F)cc2)n1 56907739 XRZNXHLKUZPDKZ-UHFFFAOYSA-N 408.401 5.181 0 40 HKAB Cc1ccc2c(NC(=O)c3cc(I)ccc3Cl)cccc2n1 57315572 CIAOZQWRZPYKRB-UHFFFAOYSA-N 422.653 5.054 0 40 HKAB COc1ccc2c(c1)NC1(CCN(CCCCOc3ccccc3)CC1)c1cccn1-2 57719401 LDDORPBSLWMJFU-UHFFFAOYSA-N 417.553 5.062 0 40 HKAB Cc1cc(OCCSCC(=O)Nc2ccccc2C(F)(F)F)ccc1C(C)C 57986072 QBTXPMLRGTWLHU-UHFFFAOYSA-N 411.489 5.888 0 40 HKAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1)C1CCC1 72215450 WANZOOBKINOHSO-OAQYLSRUSA-N 421.541 5.353 0 40 HKAB C[C@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccccc1 103438320 QVMKACNLTBORMR-FGSXEWAUSA-N 417.578 5.217 0 40 HKAB Clc1cccc(COc2cccc(CNc3ccc(Br)cc3)c2)c1 107024270 NXXVBANOIDQIRC-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB Cc1ccc(S(=O)(=O)[C@H]2C(C)(C)[C@]2(Sc2ccccc2)[Si](C)(C)C)cc1 195759539 QVDHHDKFQGJMOJ-PZJWPPBQSA-N 404.673 5.586 0 40 HKAB Cc1nc(-c2ccc(Cl)cc2)n(-c2ccc(NC(=O)c3cccnc3)cc2)c1C 199430817 VDOQPILDRJKQIZ-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2cccc3ccccc23)c2ccccc2O1 222977419 WDDDXSRIPXJXSF-PGRDOPGGSA-N 403.522 5.806 0 40 HKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2ccccc2)c1C 222988571 FDEHRSZWUXVJNC-RPWUZVMVSA-N 418.610 5.570 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)NC(C)(C)C)cc1 223262009 FLSRSHHOPPAGON-DEOSSOPVSA-N 422.613 5.212 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1C(C)C 223269711 FCNZDBDAZCHFOE-INIZCTEOSA-N 405.991 6.140 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(CSc3ccccc3)c2)cc1 224327680 DBQRFOQRKFGGET-UHFFFAOYSA-N 421.518 5.417 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccc(C(C)(C)C)cc1 224520693 SOEUGKUFXRPPPW-UHFFFAOYSA-N 421.512 6.353 0 40 HKAB Cc1ccccc1-c1noc(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)n1 225816037 HBJVWWPSLTYWQO-UHFFFAOYSA-N 413.477 5.195 0 40 HKAB COC(=O)c1cn(C(=O)c2ccc(-c3ccc(OC)c(Cl)c3)o2)c2ccccc12 226765049 LJFKXWOUNALJSA-UHFFFAOYSA-N 409.825 5.038 0 40 HKAB Oc1ccccc1/C=C1\CCC[C@@H]2C1=NN1[C@H](c3ccccc3)Oc3ccccc3[C@H]21 230216649 RBNFJAIQAGRWKX-CLTQMOJPSA-N 408.501 6.080 0 40 HKAB CC(C)Cn1nc(-c2cc(C(C)C)ccc2OCC(=O)O)cc1-c1ccc(F)cc1 257272623 NDCVENRRGBDWBY-UHFFFAOYSA-N 410.489 5.599 0 40 HKAB CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)C 257348015 ARVGMISWLZPBCH-QQZCZZFWSA-N 412.702 7.945 0 40 HKAB COc1ccc(Br)c(C(=O)N[C@H](c2ccsc2)c2cccs2)c1 390826987 RSZVOCJXKYCXHZ-MRXNPFEDSA-N 408.342 5.100 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21)c1ccccc1 408619104 FZUJTUZRHPHRLO-RFZJPIJTSA-N 410.300 5.389 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(Cl)cc2)c(C)c1 408699472 XBQKLAHQWPHWQU-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CCOc1ccccc1/C=C1\S[C](Nc2ccccc2)N([C@@H]2CCCC[C@@H]2C)C1=O 408800204 NRXTYYAVCSNIPX-UXJZJMJTSA-N 421.586 6.139 0 40 HKAB Clc1ccccc1NCc1cccc(OCc2ccc(Br)cc2)c1 409177749 CNYXDUOOFZEGJV-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB Cc1ccc(Sc2ccc(/C=C3\NC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1 409251920 RCHCXDWZBVZZPQ-HMAPJEAMSA-N 418.493 5.378 0 40 HKAB O=C(Oc1cccc2c(O)cccc12)c1cc(Br)ccc1Br 642773 GEVGYUCFAYTQCM-UHFFFAOYSA-N 422.072 5.290 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 648917 IDXBVGUNFOOCJW-UHFFFAOYSA-N 412.827 5.548 0 40 HKAB CC1(C)Cc2nc3sc4c(SCCc5ccccc5)ncnc4c3cc2CO1 1241613 CWEWSOXVBUXGAI-UHFFFAOYSA-N 407.564 5.426 0 40 HKAB CCc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 1380084 IKBNNRKHJRFAOO-JOCHJYFZSA-N 422.550 5.350 0 40 HKAB CCn1c(CSCc2ccc(Cl)cc2)nnc1SCc1ccc(F)cc1 1396996 QHANQEINTKGNAY-UHFFFAOYSA-N 407.967 5.816 0 40 HKAB Cc1ccc2c(c1)[C@]1(c3ccccc3)Oc3ccc(C)cc3[C@](c3ccccc3)(O2)O1 1690906 LJBQBMRBBYRXMQ-VSGBNLITSA-N 406.481 6.207 0 40 HKAB CC(C)CCOC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1 1748311 QOWKHSDVQRDYKP-HNNXBMFYSA-N 414.885 5.470 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1 2078817 ZEZODZUFZFQCPT-UHFFFAOYSA-N 423.299 6.470 0 40 HKAB Cc1cc(Br)cc2c(C(=O)Nc3ccccc3)cc(-c3ccccc3)nc12 2079553 ZDBHUPXQPAOLHD-UHFFFAOYSA-N 417.306 6.225 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)c(C)c1 2476465 FWHXNNKTIUKOCT-UHFFFAOYSA-N 415.511 5.032 0 40 HKAB CCCCC1CCC(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CSC3)CC1 3008300 KSAUZVRWVNXDJQ-UHFFFAOYSA-N 411.615 6.171 0 40 HKAB Cc1cc(C)cc(-n2c(CSc3ccc(F)cc3)nc3cc(Cl)ccc3c2=O)c1 3050401 DSHLUXWMJLWVJS-UHFFFAOYSA-N 424.928 6.087 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(Nc2ccccc2F)sc1Cl 3196933 YJGHVQDFLFWLHK-UHFFFAOYSA-N 403.287 5.165 0 40 HKAB CC(C)(C)c1cc(S(=O)(=O)Nc2ccccc2O)c2cc(C(C)(C)C)ccc2c1 3212596 DCOXXZAFVQIDBV-UHFFFAOYSA-N 411.567 5.941 0 40 HKAB C[C@@H]1CSC(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc2)=N1 3227160 NOXCNGGCGCKLBW-SNVBAGLBSA-N 414.745 6.177 0 40 HKAB Cc1ccc2cc3cc(C(=O)N[C@@H](C)c4ccc5c(c4)OCCO5)sc3nc2c1 4139642 YEZDDFGZOPTRNH-AWEZNQCLSA-N 404.491 5.020 0 40 HKAB Cc1cccc(NC(=O)CN2C(=O)C[C@H](c3ccco3)Sc3ccccc32)c1C 4162801 CZDLGRBQKJYSRQ-OAQYLSRUSA-N 406.507 5.105 0 40 HKAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 4525286 VWUJTPMAQTUBPO-OALUTQOASA-N 416.521 5.260 0 40 HKAB CCCCc1ccc(/N=c2\ssc3c2-c2cc(C)c(C)cc2NC3(C)C)cc1 4608460 OFINYBOCEKEOCZ-BZZOAKBMSA-N 408.636 7.329 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(Cl)c2)cc1 4715826 ZJKGOOZYHVSQHZ-XUZZJYLKSA-N 420.896 5.600 0 40 HKAB CCCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(-c2cccc(C)c2)s1 4982511 ZCBXXEPQWBRRFJ-UHFFFAOYSA-N 407.583 6.258 0 40 HKAB c1ccc([C@@H]2Cc3c(sc4ncn5cnnc5c34)[C@@H](c3ccccc3)S2)cc1 5100842 GFVDKRAILRKFGN-PKOBYXMFSA-N 400.532 5.459 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc4ccccc34)c2C(N)=O)C1 5383768 IHLOMSBSGPSLLC-HNNXBMFYSA-N 406.551 5.404 0 40 HKAB CC(/C=C/[C@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O 5431517 SETVRSKZJJWOPA-DLCMNRSOSA-N 404.934 5.559 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(CC)cc4)nc3c2)c1 5671994 CDGWCYMHLMTSGQ-UHFFFAOYSA-N 400.482 5.024 0 40 HKAB FC(F)(F)c1cccc(NC(=S)N[C@H](Cc2ccccc2)c2ccccc2)c1 6257919 LKNVJVDRZXGIEQ-HXUWFJFHSA-N 400.469 5.976 0 40 HKAB COc1ccc(C)cc1NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 6395068 ATHVIAKNKUNHQR-UHFFFAOYSA-N 409.486 5.163 0 40 HKAB CCCCOc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccc(CC)cc32)cc1 6480925 MPKUTGCUPVFZMI-UHFFFAOYSA-N 411.549 6.170 0 40 HKAB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)C(Cl)(Cl)Cl 6496533 MAJAFMIOMLMDNZ-UHFFFAOYSA-N 405.668 5.957 0 40 HKAB O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccccc1F 6615824 FRNRWNPTENMMPQ-UHFFFAOYSA-N 407.495 5.229 0 40 HKAB Fc1ccc(CNC(=S)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)cc1 7374566 VAEAZPZUKYORGD-IBGZPJMESA-N 409.555 5.165 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)s2)cs1 7511384 LKYWKBAHJZQSFC-UHFFFAOYSA-N 401.365 5.909 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CC(c1ccccc1)c1ccccc1 7706104 GAZNXTFSLBGLKT-GOSISDBHSA-N 400.547 6.038 0 40 HKAB COc1c(Cl)cc(C(=O)N(Cc2ccc(C)cc2)Cc2ccco2)cc1Cl 9431935 IQLGMKVKVOVSQE-UHFFFAOYSA-N 404.293 5.746 0 40 HKAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc(-c2ccc(F)cc2)s1 12645142 SVAKDOWPDMOOEO-KPKJPENVSA-N 400.478 6.372 0 40 HKAB O=C(COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)c1ccc(Cl)s1 12660451 VWCAODXMSBLRMA-IWENEADUSA-N 414.954 5.666 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN(C)[C@H](C)c4ccccc4)[nH]c(=O)c23)cc1 12992445 OGWMKWIZNVETIA-MRXNPFEDSA-N 403.551 5.461 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4cccc(F)c4C)sc3n2)c1 13284505 QYJWZJGBCUVKBE-UHFFFAOYSA-N 407.470 5.254 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3nc(-c4cc(Cl)c(O)c(Cl)c4)[nH]c(=O)c23)C1 13898680 YVOSRVGANKWOOE-SNVBAGLBSA-N 423.365 5.815 0 40 HKAB O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccc(Cl)c(Cl)c1 14008912 ZYQMNERZCVVBLY-UHFFFAOYSA-N 414.701 5.330 0 40 HKAB CCN1C(=O)[C@H](Cc2oc3ccc(F)cc3c2C)c2cc(Br)ccc21 15018189 IZLSZTVDXMNEJY-MRXNPFEDSA-N 402.263 5.336 0 40 HKAB CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SC/C=C/c2ccccc2)o1 16001447 CCXGCWNETHEYAK-YCABEKBOSA-N 421.588 5.194 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3OC(F)F)o2)cc1Cl 17082759 VNAYRLJTKDRDBF-PKNBQFBNSA-N 403.812 6.162 0 40 HKAB O=C(CSc1ccncc1)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)on1 19336632 SNFIRFKAANGLFS-HXUWFJFHSA-N 411.502 5.112 0 40 HKAB O=C(COc1ccc(F)cc1Cl)Nc1nc(-c2c[nH]c3ccccc23)cs1 19627204 MTQLVPORGGAJTB-UHFFFAOYSA-N 401.850 5.101 0 40 HKAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC 20460976 HVULDMGZDWFBHX-INIZCTEOSA-N 409.507 5.615 0 40 HKAB CCc1sc(-c2nnc(CN3CCCC[C@@H]3c3nc4ccccc4s3)o2)cc1C 23982903 WZXZNKQWOBTRJJ-MRXNPFEDSA-N 424.595 6.006 0 40 HKAB CCNc1ccc([C@@](O)(c2nc3ccccc3s2)C(F)(F)F)c2ccccc12 24927189 RTOMWCQJZCAMEH-HXUWFJFHSA-N 402.441 5.680 0 40 HKAB O=C(CCc1ccccc1O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 25349612 VPIJTAFQJNSHNU-FQEVSTJZSA-N 418.924 5.408 0 40 HKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)OCc2c(C)noc2C)cc1 25389823 HLTOSWPAXLDLAB-UHFFFAOYSA-N 404.466 5.124 0 40 HKAB Cc1ccccc1OCC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 27744424 GXFYNEWAUFRIEL-HXUWFJFHSA-N 418.924 5.457 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H](C)Oc1cccc(C)c1C 30757239 ZYYKSEGRCWTIHQ-HXUWFJFHSA-N 405.563 6.310 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OCCSc2ccccc2)cc1 30863623 XYGOBIAJNZATOJ-UHFFFAOYSA-N 417.452 6.129 0 40 HKAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2cccnc12 32593293 KJPYEXPCIQKSAZ-LBPRGKRZSA-N 405.281 5.346 0 40 HKAB COc1ccc(-c2noc(-c3ccc(CSCc4ccccc4Cl)o3)n2)cc1 33021814 CJAYLAQRLLHJBM-UHFFFAOYSA-N 412.898 6.092 0 40 HKAB Cc1ccc(-c2noc(CSc3ccc(-c4ccc(C(C)C)cc4)nn3)n2)cc1 33022118 BAYCNLWJCFIISF-UHFFFAOYSA-N 402.523 5.918 0 40 HKAB CCOc1ccc(-c2ccc(SCc3nc(-c4cccc(C)c4)no3)nn2)cc1 33262484 YHXLASFZGWRRFH-UHFFFAOYSA-N 404.495 5.193 0 40 HKAB CCOc1cc(/C=C2\SC(=S)N=C2O)cc(Cl)c1OCc1ccc(C)cc1 33424438 ZSIWITYVDAUYPS-YVLHZVERSA-N 419.955 5.955 0 40 HKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Cl)c(Cl)c3)o2)cc1C 33659279 DEZYWALKYJRGES-UHFFFAOYSA-N 419.333 5.997 0 40 HKAB COc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078880 NGKCIQHYTIYGTH-UHFFFAOYSA-N 420.896 5.194 0 40 HKAB COc1cccc(-c2nc(-c3ccc(F)cc3)c(NC(=O)c3ccccc3)s2)c1 72427587 XYIGNVZOBQSHJI-UHFFFAOYSA-N 404.466 5.877 0 40 HKAB O=C(Nc1ccccc1)Nc1ccc(C23C[C@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1 100845783 QHORTOYRZQOWJR-YFVLFDEISA-N 422.572 7.120 0 40 HKAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccccc1CCc1ccccc1 219004017 IHDUYYIZADITJO-UHFFFAOYSA-N 405.497 5.955 0 40 HKAB COc1cc(C)c(S(=O)(=O)NCCCc2ccc(C(C)C)cc2)cc1C(C)C 223673040 PTPLAOZLGYQVQV-UHFFFAOYSA-N 403.588 5.162 0 40 HKAB CCCOCc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OCC 224710977 PUEQCSFZXCTJRE-UHFFFAOYSA-N 415.839 5.936 0 40 HKAB CCSc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C 224779842 SDFUJSBPGRIBJD-HKWRFOASSA-N 422.575 5.578 0 40 HKAB Cc1cc(NC(=O)c2ccc(COc3ccccc3)cc2)cc(Br)c1O 226243375 ZEERNCVDGSRELW-UHFFFAOYSA-N 412.283 5.294 0 40 HKAB CCC(=O)[C@H]1[C@H](CC)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 253500128 XFFDYWGJZFMHBB-NAVOUFSSSA-N 400.603 6.112 0 40 HKAB biogenic Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3Cl)nn2-c2ccccc2)c1 408694049 HQXDWCYRWWEILY-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB S=C(NCc1ccco1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 408977091 CXVNFEIULRQOOJ-UHFFFAOYSA-N 416.462 5.229 0 40 HKAB O=C(Nc1nncs1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408981097 ZDRYEHRXGWFDQY-UHFFFAOYSA-N 421.532 5.191 0 40 HKAB CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 409110239 ADBIMIZDPCXYTL-UHFFFAOYSA-N 413.920 6.686 0 40 HKAB Brc1cc(CNc2ccccc2)ccc1OCc1cccc2ccccc12 409117772 PCQZDTSMFXELKW-UHFFFAOYSA-N 418.334 6.793 0 40 HKAB CCOc1cc(Br)c(/C=C2\C(=O)N(CC)c3ccccc32)cc1OCC 409120724 SEWCHTWTUJHJLJ-WJDWOHSUSA-N 416.315 5.154 0 40 HKAB CCOc1cc(Cl)c(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OC 409146839 UDUXAUDJPFLGGD-VCHYOVAHSA-N 409.935 5.364 0 40 HKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C)c1 409383704 AQSWELKHAORVNJ-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCOc1ccc(Nc2nccc(-c3cc4c(cc3C)[C@@H](C)CC(C)(C)N4)n2)cc1 575473275 QAUVKERYTKFJOP-KRWDZBQOSA-N 402.542 6.292 0 40 HKAB C[C@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1nc2ccccc2n1C 605395286 AUARIKYKZOWYDI-HNNXBMFYSA-N 423.438 5.750 0 40 HKAB C[C@@H](CCC[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(=O)O 605706378 SQTAVUCHOVVOFD-KGARIMISSA-N 414.630 6.662 0 40 HKAB Cc1ccc(OC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)cc1 925342 UTQTYOMAQWDHPT-UHFFFAOYSA-N 415.518 5.249 0 40 HKAB COc1ccc(NC(=O)c2cc(-c3cccc(OC)c3)nc3c(C)cc(C)cc23)cc1 993127 PENXZOGIKSETAA-UHFFFAOYSA-N 412.489 5.788 0 40 HKAB Cc1ccc(C)c(Oc2coc3cc(OCc4cccc(Cl)c4)ccc3c2=O)c1 1774629 MPTRMVIPJHFEFK-UHFFFAOYSA-N 406.865 6.435 0 40 HKAB Cc1nc(SCC(=O)c2ccc3ccccc3c2)c2c3c(sc2n1)CCCC3 1895319 IEQPBIZPPXWDEW-UHFFFAOYSA-N 404.560 6.007 0 40 HKAB Cc1cc(OCC(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc(C)c1Cl 1916525 VAAHGHBAECUHOJ-UHFFFAOYSA-N 424.880 5.298 0 40 HKAB CCOc1ccc(Br)c(/C=C2\C(=O)Nc3ccc(Br)cc32)c1 2113476 XNTMRKYKVLEFLO-ZSOIEALJSA-N 423.104 5.103 0 40 HKAB CC1(C)Cc2ccccc2-c2nc(SCc3ccccc3)n(-c3ccccc3)c(=O)c21 2216791 JBXBEPUHYOQQKM-UHFFFAOYSA-N 424.569 6.026 0 40 HKAB CCC(=O)N(CC[C@@H](Cc1ccccc1)c1ccc(OC)cc1)Cc1ccccc1 2329103 JLTGAOBJRMAJOH-VWLOTQADSA-N 401.550 5.850 0 40 HKAB Clc1ccc(COc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1Cl 2570980 DBLKCDKVPWCKJK-UHFFFAOYSA-N 412.341 7.363 0 40 HKAB COc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(C)c4)cc2-3)OCO5)cc1 2688458 HWIJTACFBRWZCQ-UHFFFAOYSA-N 423.472 5.297 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1)c1ccccc1CSCc1ccc(Cl)cc1 3104415 HDHXBMPNVAXKDF-UHFFFAOYSA-N 423.386 6.260 0 40 HKAB CCCCC[C@@H](CC)CNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 3164245 WQNGSNPQUQVMSC-OAQYLSRUSA-N 409.510 7.488 0 40 HKAB O=C(NC(=S)Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc(Cl)cc1 3194020 XGBRBYMGGISPOW-UHFFFAOYSA-N 413.911 5.337 0 40 HKAB CCCCc1ccc(NC(=O)COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 3238790 CVUXKEWVMNRZRX-UHFFFAOYSA-N 423.597 6.420 0 40 HKAB O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)Nc1ccc(F)cc1F 3241030 TVVCAWXVPTTZKX-UHFFFAOYSA-N 424.428 5.037 0 40 HKAB COc1ccccc1OCC(=O)N(c1nc2ccccc2s1)c1ccccc1C 3350265 HQSQFFAGGIGUIS-UHFFFAOYSA-N 404.491 5.357 0 40 HKAB Cc1ccc(-n2ccnc2SCC(=O)c2ccc(Br)s2)c(C)c1 3411985 AFDZZSOFTIATBE-UHFFFAOYSA-N 407.358 5.288 0 40 HKAB O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2Cl)N1c1ccc(F)c(Cl)c1 3667543 SUAAJRMEJUQPOS-LJQANCHMSA-N 421.686 6.557 0 40 HKAB Cc1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(Cl)cc3s2)cc1C 4359650 HVMDLOCSGFODDK-UHFFFAOYSA-N 401.963 5.165 0 40 HKAB COc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3C)o2)c(OC)cc1Cl 4600058 IWULSRSQICNYCJ-UHFFFAOYSA-N 406.265 5.831 0 40 HKAB Cc1ccc(N[C@H]2C[C@H](C)N(C(=O)c3ccc(Cl)cc3)c3ccc(C)cc32)cc1 4797991 IOWNGZFGTXBYQO-MBSDFSHPSA-N 404.941 6.549 0 40 HKAB CCCCCCn1c(SCC(=O)Nc2ccc(Cl)cn2)nc2ccccc21 6024369 JGNGDLXXLVAIHV-UHFFFAOYSA-N 402.951 5.396 0 40 HKAB Cc1cc(C(=O)CSc2nnc([C@@H](C)Oc3ccc(F)cc3)o2)c(C)n1C1CC1 6374747 XTXANTFLXGAPOM-CQSZACIVSA-N 415.490 5.077 0 40 HKAB Cc1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1C 6480299 FZQCOUTTYJGHAE-UHFFFAOYSA-N 410.311 5.897 0 40 HKAB COc1ccc(-c2[nH]c(-c3ccc(C(=O)O)cc3)nc2-c2ccccc2)cc1OC 6720790 ISUANZFFYUKITQ-UHFFFAOYSA-N 400.434 5.126 0 40 HKAB O=C(NCCSCc1c(F)cccc1Cl)c1ccc(N2CCCCC2)cc1 7504608 XLXHGQQQRYDZOF-UHFFFAOYSA-N 406.954 5.133 0 40 HKAB CCc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccccc4)n3)n2)cc1 7995832 HYLBOOFIWAYLGW-UHFFFAOYSA-N 405.548 5.677 0 40 HKAB C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)c1ccccc1 8185736 AHEBMOYWGHUVMR-CQSZACIVSA-N 413.930 5.209 0 40 HKAB CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)Cc1ccccc1Cl 8230540 KXNVQGQEPKFJEU-UHFFFAOYSA-N 404.297 5.023 0 40 HKAB Cc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)c(C)cc1I 8333944 HYXQUADRLJCJLR-VMPITWQZSA-N 411.670 5.213 0 40 HKAB Cc1ccc(-c2nn([C@H](C)C(=O)c3ccc(Br)cc3)c(=S)o2)cc1 8550652 CWCGDTLOUWOMGY-GFCCVEGCSA-N 403.301 5.387 0 40 HKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2ccc(F)cc2)cc1 8595606 AHKDUTFBJXLQEI-QHCPKHFHSA-N 417.871 5.927 0 40 HKAB aggregator O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1csc(-c2ccsc2)n1 8777547 KQYRKKPOZKWQEK-UHFFFAOYSA-N 421.551 5.109 0 40 HKAB CSc1ccc(C(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 9254661 DMISGNQORWRQIZ-SFHVURJKSA-N 410.564 5.345 0 40 HKAB O=C(Nc1ccccc1F)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl 12344176 ZTSTYIFSLRRGSW-LJQANCHMSA-N 404.272 5.571 0 40 HKAB COc1c(C)cc(NC(=O)C(=O)c2c(-c3ccccc3)n(C)c3ccccc23)cc1C 12445778 HUPZGDKURYLFSZ-UHFFFAOYSA-N 412.489 5.292 0 40 HKAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C1 12565019 RPWAHBOOVKWPNM-ROUUACIJSA-N 405.567 5.340 0 40 HKAB CCC(=O)N(c1nnc(S[C@@H](C(=O)c2ccccc2)c2ccccc2)s1)C1CC1 12915338 NJYIWORMXRNEHE-HXUWFJFHSA-N 423.563 5.160 0 40 HKAB Cc1[nH]c2ccc(C(=O)OCC(=O)Nc3c(Cl)cccc3C(F)(F)F)cc2c1C 13101579 DTPJVRFGTWNQAP-UHFFFAOYSA-N 424.806 5.252 0 40 HKAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCCC(C)C)cc1 13634715 YIXHSDZKKFFMQK-HSZRJFAPSA-N 419.525 5.313 0 40 HKAB CC(C)Oc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 14649705 ZJHOXUFGMGYCML-UHFFFAOYSA-N 420.347 5.551 0 40 HKAB O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1cccc2c(Cl)cccc12 17088109 UOIQBDAHEVQZQR-UHFFFAOYSA-N 408.832 5.639 0 40 HKAB Cc1nc2c(-c3ccccc3)c(C)nn2c(N2C[C@@H](C)C[C@@H](C)C2)c1Cc1ccccc1 18130149 CHEBYCYMYWTTNK-BGYRXZFFSA-N 424.592 6.086 0 40 HKAB O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(\NCc1ccccc1)Sc1ccccc1 19537042 BJQQXOJVSPZJAD-BMRADRMJSA-N 415.729 5.900 0 40 HKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3ccccc3OC)c2)cc1 19691386 IEBKWUOOSIUSLB-QHCPKHFHSA-N 402.494 5.052 0 40 HKAB COc1ccc2oc(-c3ccc(NC(=O)c4ccccc4Br)cc3)nc2c1 20103004 QOKYUVDDHKQTDU-UHFFFAOYSA-N 423.266 5.518 0 40 HKAB COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 20145417 RXPAQHJKAMBGJG-WEVVVXLNSA-N 415.804 5.098 0 40 HKAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)Nc1ccc(F)c(Cl)c1 20540729 WHTPGZCVCAVXGV-UHFFFAOYSA-N 407.276 5.638 0 40 HKAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 26861326 LGIWSZVHODMRRY-SFHVURJKSA-N 414.383 5.146 0 40 HKAB Cc1cccc(NC(=O)c2nc(SCc3ccccc3Cl)ncc2Cl)c1 27664157 WBAYDGPHWWCKEC-UHFFFAOYSA-N 404.322 5.636 0 40 HKAB CCCc1noc([C@@H](C)Sc2ncnc3scc(-c4ccc(F)cc4)c23)n1 27780117 PREFJDCOQDYXQB-LLVKDONJSA-N 400.504 5.686 0 40 HKAB Cc1ccc(Cn2c([C@@H]3CC(=O)N(c4cc(C)ccc4C)C3)nc3ccccc32)cc1 27789042 QZCLUBNQRFYGLJ-JOCHJYFZSA-N 409.533 5.530 0 40 HKAB Cc1ccc(-c2nnc(CSc3nc(C4CC4)nc4sc(C)c(C)c34)o2)cc1 35290885 MCYHPBFUTOPABJ-UHFFFAOYSA-N 408.552 5.836 0 40 HKAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cccc(F)c3)c12 36613363 UWMWNKMOPDUWQU-UHFFFAOYSA-N 400.457 5.057 0 40 HKAB Clc1cccc(-c2cnc(CNc3cc4c(cc3Br)OCCO4)o2)c1 40012077 RZFQCOCGWOMZEH-UHFFFAOYSA-N 421.678 5.141 0 40 HKAB CC1=C[C@]2(Nc3cc(-c4ccccc4)ccc3O2)c2c(C)nn(-c3ccccc3)c2O1 40546426 YMXRKHLKGKAYIN-AREMUKBSSA-N 407.473 5.801 0 40 HKAB Clc1cccc(CSc2nccn3nc(-c4cccc5ccccc45)cc23)c1 45925264 OJPUUEZXPWXSQD-UHFFFAOYSA-N 401.922 6.495 0 40 HKAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1ccccc1Cl 57487266 PDDOHRCBIWKNPJ-UHFFFAOYSA-N 413.264 5.151 0 40 HKAB Cc1cc(-c2csc(NC(=O)C3CN(Cc4ccc(Cl)cc4)C3)n2)c(C)s1 57776089 LGZSPEUAWMIGSV-UHFFFAOYSA-N 417.987 5.212 0 40 HKAB CCc1ncc(C(=O)Nc2ccc(Cl)cc2C(=O)N2[C@H](C)CCC[C@H]2C)s1 83830606 ULCUJJWTQACOAL-CHWSQXEVSA-N 405.951 5.014 0 40 HKAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 96124434 HSJCDOFXHOCOCY-INIZCTEOSA-N 416.506 5.355 0 40 HKAB c1ccc(C(c2ccccc2)c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193859 JGJDZGLKBKCLIS-UHFFFAOYSA-N 408.486 5.779 0 40 HKAB Cc1cc2c(cc1C)N[C@H](c1ccc(Cl)cc1Cl)C1=C(O)CC(C)(C)CC1=N2 102529878 GWSJLOUYSODDKQ-JOCHJYFZSA-N 415.364 7.482 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)C[C@H]3C[C@@H]4CC[C@@H]3C4)ccc21 103100303 LGDNQEAWHIVSPJ-KZNAEPCWSA-N 404.510 5.122 0 40 HKAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 216328039 KZPBQGPKRJCLPG-FVFHPELPSA-N 403.566 6.123 0 40 HKAB CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1 222708392 ZSBYUJJUMMWVLN-NLSFWIRASA-N 418.566 5.250 0 40 HKAB CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1 222937206 BTEQNZFJWJQBPA-DHIUTWEWSA-N 421.566 5.369 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)cc1C 224260881 VXMIUKKEDLLVMP-DNQXCXABSA-N 416.594 5.629 0 40 HKAB O=C(c1ccc(NC(=S)NCc2ccc(Cl)cc2Cl)cc1)N1CCCCC1 225308161 ZYVUKFYEFJUPEU-UHFFFAOYSA-N 422.381 5.106 0 40 HKAB O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccccc2F)CCCCC1 225544868 VMKWTTCGXWVIGG-UHFFFAOYSA-N 410.533 5.141 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 225749619 YAYBTPVYIVLTIO-DEOSSOPVSA-N 404.595 5.255 0 40 HKAB CCCc1s/c(=N\C(=O)c2cccc(F)c2)n(CC)c1-c1ccc(Cl)cc1 408563679 WMNPIAJNVVIIDP-FLFQWRMESA-N 402.922 5.723 0 40 HKAB S=C(c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1)N1CCCC1 408578292 XGQICGRHCNNBIC-UHFFFAOYSA-N 400.758 5.997 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1OCc1ccccc1 408585468 FHRPDQUHDIMDKP-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)c1ccccc1 408597108 VZFKKUSHPRFOFF-UHFFFAOYSA-N 403.507 5.005 0 40 HKAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 409000051 DNKLJBPEFVEIOB-QHCPKHFHSA-N 416.477 5.476 0 40 HKAB CCCn1c(Cc2ccccc2)nnc1SCc1ccc(Br)cc1 409103471 WPCRRMHYBQBDHB-UHFFFAOYSA-N 402.361 5.334 0 40 HKAB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409178886 JHQIWNOPQBYTBJ-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(C)(c4ccccc43)[C@@H]2C1=O 707295 SHTXIQKEXQRWRO-ZQFKLAOWSA-N 413.904 5.219 0 40 HKAB Cc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 883192 LDSMCLRBLOHWGY-UHFFFAOYSA-N 417.534 5.137 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1Cl 917731 AMTHQGLEUOCOGX-UHFFFAOYSA-N 421.305 5.568 0 40 HKAB CCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cc2cc(OC)ccc2nc1Cl 1246554 ZNXPRTRPIOBOBZ-OAQYLSRUSA-N 407.901 5.293 0 40 HKAB CC(=O)c1cc(Cc2cc(C)cc(C)c2O)c(O)c(Cc2cc(C)cc(C)c2O)c1 1680973 ZFZNNDXKRWRNNY-UHFFFAOYSA-N 404.506 5.421 0 40 HKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C=C/c1ccccc1 1935406 IFFNDLRCYKOLAY-MDWZMJQESA-N 411.910 5.897 0 40 HKAB Cc1cccc(C)c1NC(=O)CCCSCCCC(=O)Nc1c(C)cccc1C 2655134 SADNACDOIZGCFY-UHFFFAOYSA-N 412.599 5.791 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)c2cc(-c3cc(C)ccc3C)nc3ccccc23)cc1 2756459 GSCGBJJSOJIEOZ-IBGZPJMESA-N 408.545 7.284 0 40 HKAB CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3cnccn3)c2C(=O)OC(C)C)cc1 2761059 VTSGVOGLYIBVBM-OAHLLOKOSA-N 423.538 5.536 0 40 HKAB Cc1cc(C)nc(S[C@@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 2764301 SOQLMYPUTHQEGK-UXHICEINSA-N 418.628 5.268 0 40 HKAB CC1(C)c2ccccc2N(Cc2ccccc2)[C@]12C=Nc1c(ccc3ccccc13)O2 3147067 YVYVCXOQZYPIOP-NDEPHWFRSA-N 404.513 6.629 0 40 HKAB COC(=O)c1c(-c2ccccc2)[nH]c2cc(NC(C)=O)c(/C=C/c3ccccc3)cc12 3845333 YITBKNJSYPMJNL-BUHFOSPRSA-N 410.473 5.750 0 40 HKAB Clc1nc(/C=C/c2ccc(Br)cc2)nc2sc3c(c12)CCCC3 4206634 HPUOTMIPOSAUMP-JXMROGBWSA-N 405.748 6.156 0 40 HKAB CCOC(=O)c1c(C)cc(Nc2ccc(C)cc2)c(C(=O)OCC)c1-c1ccccc1 4901871 TUCBQSKGXCMNCC-UHFFFAOYSA-N 417.505 6.067 0 40 HKAB Cc1ccc(C)c(NC(=S)N(Cc2cc3ccc(C)c(C)c3nc2Cl)C2CC2)c1 4973513 PQMIJTSNFCXSFZ-UHFFFAOYSA-N 424.013 6.483 0 40 HKAB Fc1cccc(-c2cc3nc4c(c(NCc5ccccc5Cl)n3n2)CCCC4)c1 4980734 QBXDRKLUBHZHKY-UHFFFAOYSA-N 406.892 5.680 0 40 HKAB Cc1ccc(Nc2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1C 5269477 BTJYASYPGGISCR-UHFFFAOYSA-N 418.972 7.016 0 40 HKAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1cccc(Cl)c1 5360220 PLVQJKJTHDYXAN-LBPRGKRZSA-N 418.975 5.038 0 40 HKAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(Oc4ccccc4)cc3)sc2c1 5383183 GGJHRWORAIPPRK-UHFFFAOYSA-N 403.463 5.299 0 40 HKAB Cc1sc2ncnc(S[C@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)c2c1C 5902405 RZEADDFWFSQWBG-LLVKDONJSA-N 402.570 5.076 0 40 HKAB O=C(CN1CCCCCC1)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 6049381 HTDRGYKSBBXMPE-AREMUKBSSA-N 411.549 5.394 0 40 HKAB CCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C1=O 6629499 RJDGHKCDONNCKX-KQWNVCNZSA-N 416.546 6.207 0 40 HKAB Cc1cccc(C)c1Nc1nnc(SCc2csc(-c3ccccc3)n2)s1 6831457 VTYYTGDWWDBHEI-UHFFFAOYSA-N 410.593 6.314 0 40 HKAB C[C@@H]1CCc2c(sc3ncnc(Sc4nnc(-c5ccccc5Cl)o4)c23)C1 8199029 YZGFCCUDNNVGNZ-SNVBAGLBSA-N 414.943 5.671 0 40 HKAB COc1ccc2cc([C@H](C)C(=O)NCCc3ccc(Br)s3)ccc2c1 9114387 XMTFRHJPGVBMFJ-ZDUSSCGKSA-N 418.356 5.135 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1Cl 9226428 UYVPOWDLQLINDT-UHFFFAOYSA-N 424.909 5.886 0 40 HKAB CCCCCOc1ccc(C(=O)Nc2nc3c(OC)ccc(Cl)c3s2)cc1 9447271 IMLXSVXNFYVGQR-UHFFFAOYSA-N 404.919 5.780 0 40 HKAB COc1ccc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)cc1Cl 9584135 SOSROEUQFHWKPF-UHFFFAOYSA-N 423.972 5.056 0 40 HKAB O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccc2ccccc2c1 9606037 RPXSXFSGOAGDPP-UHFFFAOYSA-N 421.831 5.530 0 40 HKAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc3cccnc23)c(OC)c1 11376412 QJSNCHPQBFPOLL-XMMPIXPASA-N 411.461 5.023 0 40 HKAB Clc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccco2)c(Cl)c1 12560449 YVNOWAPCUVCGEL-ATJXCDBQSA-N 401.318 6.397 0 40 HKAB C[C@H](NC(=O)CSc1nc2ccccc2n1CCc1ccccc1)c1ccccc1 12623082 BQYQPQRAFKFYBJ-IBGZPJMESA-N 415.562 5.249 0 40 HKAB COc1cc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c(OC)cc1Cl 12901601 LPAWJOYCPYXDGI-UHFFFAOYSA-N 423.856 5.121 0 40 HKAB Cc1cc(OCc2nn(CN(C)Cc3ccc(Cl)cc3)c(=S)[nH]2)ccc1Cl 13072896 IAFYGIRVVDMJTC-UHFFFAOYSA-N 423.369 5.224 0 40 HKAB CSc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN23)cc1 13659745 KAOIMTDNPLHELO-VPUSJEBWSA-N 422.553 6.804 0 40 HKAB CC(=O)Nc1nc(CSc2nnc(-c3ccc(F)cc3)c3ccccc23)cs1 14015922 ICGGPHGABBPCJE-UHFFFAOYSA-N 410.499 5.143 0 40 HKAB CC(C)(C)CC(C)(C)c1ccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)cc1 14632502 BFMHUIHQVXSNRF-OALUTQOASA-N 419.562 5.242 0 40 HKAB COc1ccc(-c2nc(CNC(=O)c3sc4ccccc4c3Cl)cs2)cc1 15832770 XONJVXIGBWCHBY-UHFFFAOYSA-N 414.939 5.617 0 40 HKAB CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C)c1 17090994 ITHVMPNRWKEYBB-UHFFFAOYSA-N 417.336 6.660 0 40 HKAB Cc1ccccc1-c1nc2cc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)ccc2o1 17091358 DOQOVRBPKDEYST-UHFFFAOYSA-N 418.321 5.751 0 40 HKAB CCNc1nnc(S[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 18662903 PTNTUENKUDKWGK-LURJTMIESA-N 411.767 5.049 0 40 HKAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC[C@H](c2nc3ccccc3n2C)C1 19718678 WKFVGBGBSGKATB-INIZCTEOSA-N 418.928 5.103 0 40 HKAB COc1cccc(OC)c1/C=C/C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 20030300 HSAXUYKRAOLYKF-VOTSOKGWSA-N 419.321 5.393 0 40 HKAB COc1ccc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 20111071 OHFVBHCXILEITQ-HNNXBMFYSA-N 413.926 6.260 0 40 HKAB CC(C)[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1cccs1 21494755 SPGNUEITWKUQGI-AUSIDOKSSA-N 420.578 5.267 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)COc4ccc(Cl)c(C)c4)ccc3o2)c1 21579474 AHJOVBFFDCFRBX-UHFFFAOYSA-N 422.868 5.483 0 40 HKAB COc1ccc(SCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1OC 22530618 KQBVNMLOISTFGA-XMMPIXPASA-N 407.535 5.010 0 40 HKAB CC(C)(C)c1ccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 28288683 BTNZVKYSRIXTKL-XMMPIXPASA-N 406.614 5.849 0 40 HKAB CCc1ccc(-c2ccc(SCc3nc(-c4ccc(C)c(C)c4)no3)nn2)cc1 33022008 DUNGZSDKGOZHFY-UHFFFAOYSA-N 402.523 5.665 0 40 HKAB COc1cc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc(Cl)c1OC 33700467 DSFSBGCATALLFW-LCYFTJDESA-N 403.887 5.372 0 40 HKAB O=C(Oc1c(/C=C2/N=C3CCCCCN3C2=O)ccc2ccccc12)c1ccccc1 33857888 KHSURYPEXIAYRZ-OQKWZONESA-N 410.473 5.215 0 40 HKAB Cc1nc(NC(=O)/C=C/c2ccc(F)cc2)sc1-c1nc(-c2cccs2)no1 35672268 HQMYYAOAXPUZTC-RMKNXTFCSA-N 412.471 5.021 0 40 HKAB CC[C@@H]1CCCCN1C(=O)[C@H](C)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 36390190 BJXJWFCVTOYHJQ-UEXGIBASSA-N 409.599 5.131 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(CN2CCCCCC2)cc1 38850604 YMTRDVSSWOSEKT-UHFFFAOYSA-N 410.867 5.987 0 40 HKAB COc1cc(Br)c2oc(-c3ccc(OC)c(Br)c3)nc2c1 45920254 CEKXQUGTTWZSJO-UHFFFAOYSA-N 413.065 5.037 0 40 HKAB C[C@H]1c2ccsc2CCN1C(=O)c1oc2ccccc2c1CSc1nccn1C 58104332 QPWKWRZFTNPVJE-AWEZNQCLSA-N 423.563 5.280 0 40 HKAB C=CC(=O)NCc1ccc(C(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)cc1 59936171 SZUBAXYJXWXPTB-UHFFFAOYSA-N 416.546 5.509 0 40 HKAB CCc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)c1 67293140 NJJVWLNLJRSGSL-RWEWTDSWSA-N 406.869 5.404 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(Cl)ccc2C)cc1 67297731 GJRKURHAMWKDEX-PNHLSOANSA-N 418.880 5.888 0 40 HKAB O=C(CCc1ccc(F)cc1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 72359840 CYCJVIOMTFGQQB-UHFFFAOYSA-N 423.919 5.275 0 40 HKAB COc1c(C)cccc1C(=O)NCC12C[C@H]3C[C@H](C1)CC(c1ccc(C)c(C)c1)(C3)C2 100226199 QMBUYIOUHQTFJU-AAULQTLXSA-N 417.593 5.888 0 40 HKAB CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl 106689087 WVXAEGZFZUYBRO-YVLHZVERSA-N 408.306 5.629 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 223021249 OGXOETMMFFJXET-NRFANRHFSA-N 414.933 5.071 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1ccc(C)c(C)c1 224622104 ZZAQSRPUZYIRRK-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225699979 XSEINKZZCBANDR-DEOSSOPVSA-N 404.595 5.255 0 40 HKAB CCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCC[C@H](C)C1 225716519 BZKKHYFAPQQPEG-OFVILXPXSA-N 416.606 5.255 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c2ccccc12 225755066 ZQGHDUCGEQZAEU-LJQANCHMSA-N 417.549 6.476 0 40 HKAB Cc1cc(N)cc(Cl)c1NC(=O)/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 227145901 OPMXFQVWXYADHK-QPJJXVBHSA-N 421.711 6.449 0 40 HKAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)CCC3CCCC3)CC2)on1 257219770 DIBQWVWNUITVQE-MXVIHJGJSA-N 410.562 5.109 0 40 HKAB O=C(Nc1ccccc1N1CCCC1)c1ccc(-c2cccc(Cl)c2Cl)o1 408620608 HQYOVHHLOGYAHB-UHFFFAOYSA-N 401.293 6.106 0 40 HKAB CCn1cc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)c2cc(Cl)ccc21 408713316 SJBUCVNOXCQPKT-UHFFFAOYSA-N 416.908 5.194 0 40 HKAB Cc1cccc(CSc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c1 408750383 MDWGFXULHADRQG-QZTJIDSGSA-N 422.575 5.577 0 40 HKAB CCOc1cc(CNc2cccc(C)c2C)ccc1OCc1cccc2ccccc12 409112116 KFYNYWXODJVAKN-UHFFFAOYSA-N 411.545 7.046 0 40 HKAB O=C(CSc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 409120315 TWAUVPLZMYUXSV-UHFFFAOYSA-N 422.575 5.610 0 40 HKAB CCOc1ccc(C[C@]2(C)CCc3ccc(-c4ccc(C(=O)O)cc4)cc3O2)cc1 585265521 GNDYOVFFURXEMI-SANMLTNESA-N 402.490 5.777 0 40 HKAB CC(C)[C@@H]1C[C@H](c2cccc(Cl)c2)CO[C@H]1c1ccc(OCCN(C)C)cc1 585292537 OGGQBFJGWXVYFU-OYDLWJJNSA-N 401.978 5.798 0 40 HKAB Cc1cc(C)c2cc(CN(C(=S)NC3CCCCC3)C3CCCC3)c(=O)[nH]c2c1 874986 RDKPLILTJXETAF-UHFFFAOYSA-N 411.615 5.097 0 40 HKAB Cc1ccc(-c2csc(N(Cc3ccco3)C(=O)c3cccc(Cl)c3)n2)cc1 932724 YDKJLEROYISVHY-UHFFFAOYSA-N 408.910 6.212 0 40 HKAB CCCCCSc1c(Cl)c(Cl)c(SCCCCC)c(Cl)c1Cl 1724602 QTOXQLTVZTZLDO-UHFFFAOYSA-N 420.298 8.865 0 40 HKAB COc1ccccc1[C@H](CCN[C@H](C)c1ccccc1)c1ccc(OC(C)C)cc1 1783188 QMIIQMXGYVQMID-PXDATVDWSA-N 403.566 6.355 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)/C(Br)=C/c1ccccc1 1809066 CPSWVBIYZWLZCA-JYRVWZFOSA-N 404.613 5.733 0 40 HKAB CCc1ccc(Oc2coc3cc(OCCCc4ccccc4)ccc3c2=O)cc1 1915241 UJUUPOLAUQBOBU-UHFFFAOYSA-N 400.474 6.159 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nnc(C3C4CC5CC(C4)CC3C5)s2)cc1 2308809 TZIRSBQKABUZPA-UHFFFAOYSA-N 411.571 5.509 0 40 HKAB CCCCSc1nnc2c3c4c(sc3nc(SCCC)n12)COC(C)(C)C4 2372255 DIXBBOARBWGWEV-UHFFFAOYSA-N 422.645 5.585 0 40 HKAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)c(OC)c1 2406893 WHZYEDGTWVFQTK-OYDLWJJNSA-N 415.961 5.226 0 40 HKAB COc1cccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)c1 2441944 KOAXPZDEFDLNRU-UHFFFAOYSA-N 407.926 5.889 0 40 HKAB COc1ccccc1Oc1c(C)oc2cc(OCc3cccc(Cl)c3)ccc2c1=O 2442084 MMRCHPHZRRJVRA-UHFFFAOYSA-N 422.864 6.135 0 40 HKAB biogenic CCc1c(-c2cccc(OC)c2)nn(Cc2ccccc2C)c1-c1cccc(OC)c1 2733443 FNYVMBLZMOWHGN-UHFFFAOYSA-N 412.533 6.153 0 40 HKAB CCc1ccc(NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc23)cc1 2759682 RXADKSGANDINKO-UHFFFAOYSA-N 408.545 6.915 0 40 HKAB COc1ccc(COc2ccsc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3134864 HURUJIPEGVVHKP-UHFFFAOYSA-N 408.306 5.895 0 40 HKAB CN(C)CCCNC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 3214288 MZOHLGDGWPCRDN-UHFFFAOYSA-N 409.533 5.250 0 40 HKAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1Cc1ccccc1 3216375 NSYROMYTPVZONU-UHFFFAOYSA-N 401.506 5.198 0 40 HKAB CCCN(CC1CC1)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2F)c1=S 3263320 XRZHEBPKIZEQGH-UHFFFAOYSA-N 414.525 5.428 0 40 HKAB O=C1/C(=C/Nc2ccc(Cl)c(Cl)c2)c2ccccc2C(=O)N1c1nccs1 3274063 PFJYMFAKOVVGSD-GXDHUFHOSA-N 416.289 5.090 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 3348662 WWGCXZUTKBSKMU-QGZVFWFLSA-N 405.469 5.588 0 40 HKAB O=C(c1ccccc1)c1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1 3438475 DMYCIRHAEVDOSO-UHFFFAOYSA-N 401.487 5.415 0 40 HKAB O=C1O[C@@](Cc2ccccc2)(c2ccccc2)OC(c2ccccc2)=C1c1ccccc1 4189745 WAZIGPUQHCHMKP-LJAQVGFWSA-N 418.492 6.224 0 40 HKAB CCc1ccc2oc(-c3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3)nc2c1 4703909 PXSHTEIIENYIPL-UHFFFAOYSA-N 400.478 5.692 0 40 HKAB C[C@H]1C[C@@H](C)CN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 4820265 CWVBPMKCELIABZ-DAYGRLMNSA-N 405.369 5.440 0 40 HKAB COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)c2ccccc2Cl)cc1 4857804 HIGNAMVDOWBURH-HSZRJFAPSA-N 404.897 5.649 0 40 HKAB COc1ccc(S[C@H](CC(=O)c2ccc(Cl)cc2)c2ccccc2)cc1OC 5055049 FNFMQSFFQOMTQD-HSZRJFAPSA-N 412.938 6.464 0 40 HKAB CC[C@]1(C)CC[C@@H]2[C@H](CC[C@H]3[C@](C)(C(=O)OC)CCC[C@]23C)C12SCCS2 5104643 OYCPIYLGNKGHOM-RSBIIAMVSA-N 410.689 6.385 0 40 HKAB CC(C)(C)c1ccc(OCCNC(=O)c2ccccc2SCc2ccccc2)cc1 5379990 UVNWEQAIYREMED-UHFFFAOYSA-N 419.590 6.085 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc(C(C)(C)C)cc1 5478139 NGBBKEJSNZHEDP-UHFFFAOYSA-N 422.598 5.610 0 40 HKAB CN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(Oc3ccccc3)c2)CC1 6123976 NADRGHYWFWVPPZ-UHFFFAOYSA-N 421.928 5.136 0 40 HKAB Cc1nc2ccc(NC(=O)c3c(-c4c(F)cccc4Cl)noc3C)cc2s1 6216245 AIQRZMRYCBROPR-UHFFFAOYSA-N 401.850 5.613 0 40 HKAB CCn1c(S[C@H](C)C(=O)c2cc(C)c(C)cc2C)nnc1-c1ccccc1OC 6541536 JMOSFILGCSEMDO-QGZVFWFLSA-N 409.555 5.262 0 40 HKAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)s1 6552684 GLJQWMLXGCUJQF-NRFANRHFSA-N 422.529 5.190 0 40 HKAB C=CCOc1ccc(/C=C2/SC(Nc3ccc(Cl)c(Cl)c3)=NC2=O)cc1 6856049 DOPPEJKRCODCFT-LICLKQGHSA-N 405.306 5.641 0 40 HKAB COc1ccc(OCc2nnc(SCc3ccc(Cl)cc3Cl)n2C)cc1 7236184 VSCSTFABKUKLMD-UHFFFAOYSA-N 410.326 5.002 0 40 HKAB COc1c(Br)cc(C(=O)Nc2ccccc2)cc1OCc1ccccc1 8206386 HJNOJKMJRAHQQR-UHFFFAOYSA-N 412.283 5.289 0 40 HKAB O=C1CCCc2nc(Nc3nc(-c4ccccc4)c4cc(Cl)ccc4n3)ncc21 9329329 SZNNQRHOLABZAX-UHFFFAOYSA-N 401.857 5.003 0 40 HKAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCc2sccc2[C@H]1c1cccs1 9501865 DITSWUINHOQCAT-BVBLWJPBSA-N 423.559 5.158 0 40 HKAB Cc1cc(OCc2ccc(Cl)cc2F)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 11866599 NQRHYQSTYSVFFQ-UHFFFAOYSA-N 422.883 6.372 0 40 HKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 12137122 WEJOUJTVPVNFTL-QFIPXVFZSA-N 408.542 5.196 0 40 HKAB C[C@@H](Oc1ccccc1F)c1nnc(SCc2cc(Cl)cc3c2OCOC3)o1 12681953 XPGGQDDWOIBIJZ-LLVKDONJSA-N 422.865 5.161 0 40 HKAB COc1ccc(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)cc1OC 12894744 FGVIBSWYJRRRDA-UHFFFAOYSA-N 423.494 5.146 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(c1ccccc1)c1nc(C)cs1 12950391 FFWVLBKRTYTONH-NRFANRHFSA-N 403.507 5.080 0 40 HKAB Cc1c(Cl)cccc1NC(=S)Nc1ccc(I)cc1 13786677 AYKKIHBOEOGDAI-UHFFFAOYSA-N 402.688 5.062 0 40 HKAB CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 13999428 QRKOFRGAZMUAHG-LJQANCHMSA-N 416.521 5.319 0 40 HKAB COc1cccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)c1 14052638 WDCCTGVILCFSGF-UHFFFAOYSA-N 402.450 5.285 0 40 HKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Cl)c2)N1CCc1ccccc1 16749754 AXRBOOACTMEKMV-QFIPXVFZSA-N 415.876 5.234 0 40 HKAB O=C1C[C@H](c2ccco2)Cc2c1c(Nc1ccc(Cl)cc1)nn2-c1ccccc1 19817271 MJDDZDOHCRKIID-OAHLLOKOSA-N 403.869 5.775 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 20411213 FNVJCHIFFWVQKZ-UHFFFAOYSA-N 414.505 6.658 0 40 HKAB CSC1=NC2(CCN(C(=O)Nc3ccc(C)cc3)CC2)N=C1c1ccc(C)c(C)c1 20578386 IEYJHLXLXIIGES-UHFFFAOYSA-N 420.582 5.200 0 40 HKAB CN1CCc2c(sc(NC(=O)c3cccs3)c2-c2nc3ccccc3s2)C1 23153870 HWELDEYNCCLPPT-UHFFFAOYSA-N 411.577 5.327 0 40 HKAB O=C(Nc1ccccc1F)c1nc(SCc2ccccc2Cl)ncc1Cl 27664159 LIIMUUSTLUWQBZ-UHFFFAOYSA-N 408.285 5.467 0 40 HKAB Cc1nc(-c2ccc(NC(=O)c3c(-c4c(F)cccc4Cl)noc3C)cc2)co1 32752862 FYSLATFHLLYRBX-UHFFFAOYSA-N 411.820 5.658 0 40 HKAB Cc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4cccc(Cl)c4)c3)no2)cc1 33327248 XGPFOQCZBCAEIT-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB COc1cccc(NC(=O)c2sc3nc(-c4ccccc4Cl)nc(C)c3c2N)c1 35325022 HDXMSKOJBZHEBU-UHFFFAOYSA-N 424.913 5.163 0 40 HKAB O=C(c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c12)N1CCCCC1 36618375 HVGWSDSHZGLBBT-UHFFFAOYSA-N 407.470 5.384 0 40 HKAB CCOC(=O)c1cc(NC(=O)[C@H](CC)Oc2cccc3ccccc23)ccc1Cl 38772807 LJYYACYVRGTIGC-FQEVSTJZSA-N 411.885 5.466 0 40 HKAB CCc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38856945 HUDZXLMBVASHPT-UHFFFAOYSA-N 405.369 5.715 0 40 HKAB Clc1ccc(OCc2cccnc2)c(CSc2ncn(-c3ccccc3)n2)c1 40134592 GBNFDGNZDJKXMB-UHFFFAOYSA-N 408.914 5.187 0 40 HKAB COc1cc(C)c(NC(=O)c2[nH]c3ccc(Br)cc3c2Cl)cc1OC 40144226 JXUWOUPCQMWLOJ-UHFFFAOYSA-N 423.694 5.162 0 40 HKAB Cc1cccc(Cn2c(SCC(=O)Nc3cc(C)cc(C)c3)nc3ccccc32)c1 41076833 SYUUQMCMEHMYQH-UHFFFAOYSA-N 415.562 5.741 0 40 HKAB C[C@@H](NC(=O)c1cccnc1Oc1cccc(Br)c1)c1cccs1 46904925 SMFWLRDYDMQMFX-GFCCVEGCSA-N 403.301 5.189 0 40 HKAB OCc1ccccc1CNc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12 48342649 SDSNJCJCZMPPEX-UHFFFAOYSA-N 424.529 5.525 0 40 HKAB O=C(N[C@H]1CCCc2nc(-c3ccccc3)sc21)c1ccc(-c2cnco2)cc1 58112085 TUCSXQGJRASAMX-SFHVURJKSA-N 401.491 5.273 0 40 HKAB CCC[C@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1cccc(C(F)(F)F)c1 58225979 HSXQZVZVJCSPQM-SFHVURJKSA-N 409.448 5.313 0 40 HKAB O=C(Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2)c1ccc(Cl)cc1 58886078 UCPHKOBAQFKSMU-UHFFFAOYSA-N 410.926 5.785 0 40 HKAB O=C1c2ccccc2N[C@@H](c2ccc(OCc3ccccc3)cc2)N1Cc1ccccc1 59483688 BUSBXLQPFWUEJW-HHHXNRCGSA-N 420.512 6.032 0 40 HKAB CCc1ccc(-n2cc(-c3nc(-c4ccc(C)cc4)no3)c3ccccc3c2=O)cc1 67245321 MBXLKBLTVDWBJO-UHFFFAOYSA-N 407.473 5.579 0 40 HKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cc(F)ccc3C)oc12 67295773 PGSQTYAOZXPMNQ-PNHLSOANSA-N 417.440 5.077 0 40 HKAB CCCCN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 72215586 SBWORMDCTVQUAT-OAQYLSRUSA-N 401.595 6.093 0 40 HKAB CCCCN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215747 ZKKGOMOUZIHGAP-OAQYLSRUSA-N 401.595 6.093 0 40 HKAB COC(=O)[C@@H](CC(C)C)c1[nH]c2ccc(Cl)cc2c1CCNC(=O)OC(C)(C)C 77024484 FEPJKFQNYVJJSY-KRWDZBQOSA-N 422.953 5.191 0 40 HKAB O=C([C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CC=C(c2cncc3ccccc23)CC1 96012072 DALHKKQAXVEROW-YADHBBJMSA-N 422.450 5.673 0 40 HKAB C[C@@]12CC3CC(NC(=O)c4ccc(-c5cc(Cl)ccc5Cl)o4)(C1)C[C@@](C)(C3)C2 101195981 PPKDQDBXDXIFFT-CVRONBDISA-N 418.364 6.732 0 40 HKAB CC(=O)Nc1cccc(N2CC(O)=C(c3nc(-c4ccc(Cl)cc4)cs3)C2=N)c1 101534708 KQIGAXCFHDCWQY-UHFFFAOYSA-N 424.913 5.188 0 40 HKAB Cc1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4Cl)CC(O)=C32)cc1 102532676 FBOJNTQXPUKHBD-DWXRJYCRSA-N 414.936 7.277 0 40 HKAB CCCOc1c(Br)cc(Br)cc1CNc1ccc(C)cc1 106993036 QGJBQVFPXFCDQZ-UHFFFAOYSA-N 413.153 5.921 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923687 DASOUCLGLBPXLC-ZWEOZWGBSA-N 414.718 8.025 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Cl)c(OC)c(Cl)c3)N21 222667557 ACLCDJWGWRXWNO-OAUYIBNBSA-N 408.354 5.376 0 40 HKAB CC(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 223925324 JDRMLBJSHTVPET-HSZRJFAPSA-N 422.550 5.005 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1CSc1ccccc1 224325228 FIBUDGXMMFSCRF-UHFFFAOYSA-N 418.345 6.547 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccccc1CN1CCCC1 224800166 WTVMYRKWLWUEJQ-UHFFFAOYSA-N 423.409 5.139 0 40 HKAB C[C@@H](NC(=O)CCc1ncc(-c2cccc(Br)c2)o1)c1ccc(F)cc1 224891525 RWAFWULDGCUHAZ-CYBMUJFWSA-N 417.278 5.053 0 40 HKAB Cc1cc(C)cc(CSCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c1 225166989 HJJDVRYIRHGCCQ-UHFFFAOYSA-N 403.960 5.347 0 40 HKAB Fc1cc(Br)ccc1NC(=S)NCc1ccc(Cl)cc1Cl 225306687 FQWKVMXFHRJWME-UHFFFAOYSA-N 408.123 5.382 0 40 HKAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccccc2F)CCCCC1 225544894 WBMLVHNGJXHQOU-UHFFFAOYSA-N 424.560 5.531 0 40 HKAB C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225659433 CEQBJYPOAYQQTI-CYBMUJFWSA-N 414.924 6.402 0 40 HKAB Cc1ccc(CC(C)(C)C(=O)Nc2ccc(OCC(C)C)c(C(F)(F)F)c2)cc1 225956955 WZTJLSPLJIQRJZ-UHFFFAOYSA-N 407.476 6.256 0 40 HKAB Cc1cc2nc(-c3cc(Br)c[n+](Cc4ccc(F)cc4)c3)oc2cc1C 226308407 ALVNSKYMGIENAU-UHFFFAOYSA-N 412.282 5.349 0 40 HKAB CCCCc1ccc(C[C@@]2(C)CCc3ccc(-c4cccc(C(=O)O)c4)cc3O2)cc1 257325601 WTRJSZRIRNUICT-MUUNZHRXSA-N 414.545 6.721 0 40 HKAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 408558158 IQEMJXJHAFGARE-UHFFFAOYSA-N 414.232 5.212 0 40 HKAB O=C(Nc1ccc(Br)c(Cl)c1)c1cc2c(ccc3ccccc32)o1 408615537 QJINGVCJXLIALH-UHFFFAOYSA-N 400.659 6.254 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2cccc(Cl)c2C)c1 408693967 GFTIJHKJSJGBQL-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccccc2)cc1C 408697937 MXUPXJSGVVVQMN-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]12 408729275 YVYQDQHPCLZWIW-FPMFRTRJSA-N 413.904 5.085 0 40 HKAB CCN(CC)C(=S)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 408735113 JOLKPIAEQRGWBS-UHFFFAOYSA-N 412.562 6.002 0 40 HKAB COc1ccc2c(Cl)c(C3=N/C(=C\c4cccc(C)c4)C(=O)O3)sc2c1Cl 408970700 CDDHVXSPGAADEU-LCYFTJDESA-N 418.301 5.870 0 40 HKAB Cc1cc(-c2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)o2)ccc1Br 409137047 WDKPAEMFQGLWAH-SXGWCWSVSA-N 406.301 5.462 0 40 HKAB CC(C(=O)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)(c1ccccc1)c1ccccc1 1848355863 OASIRLNQGSAGGD-TWJOJJKGSA-N 411.545 5.024 0 40 HKAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccccc1Oc1ccc(F)cc1 2037844513 UWKRSGDMUNMKEW-UHFFFAOYSA-N 418.493 6.226 0 40 HKAB CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1Nc1cccc(C(=O)O)c1 951960 OOMKCDPDYUGILE-UHFFFAOYSA-N 405.237 5.160 0 40 HKAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(Br)cc1 990321 QWNOZIWDWPIZLJ-UHFFFAOYSA-N 423.262 5.113 0 40 HKAB CC1=C(C#N)[C@H](c2ccccc2)C2=C(C[C@H](c3ccc(Br)cc3)CC2=O)O1 1070323 YIMAAXDLENHIHZ-VGSWGCGISA-N 420.306 5.761 0 40 HKAB O=C(Cn1c(CSc2ccccc2Cl)nc2ccccc21)Nc1ccccc1 1400802 NGHLVTYTJSKICX-UHFFFAOYSA-N 407.926 5.621 0 40 HKAB FC(F)(F)c1cnc2c(-c3cccnc3)nn(-c3ccc(Cl)cc3Cl)c2c1 1401427 GHUCVZJYEMOKKO-UHFFFAOYSA-N 409.198 5.808 0 40 HKAB CC1(C)CCC(C)(C)c2c1ccc(O)c2Cc1c(O)ccc2c1C(C)(C)CCC2(C)C 1701290 INPPHCDHMWZOBY-UHFFFAOYSA-N 420.637 7.387 0 40 HKAB in-vitro O=c1c2cc(-c3ccccc3)sc2nnn1Cc1c(Cl)ccc(Cl)c1Cl 1785071 WPKPHVPUKHRNGY-UHFFFAOYSA-N 422.724 5.529 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)c3ccc(F)cc3)cc12 2107269 IPNSHFWCPKMKIJ-UHFFFAOYSA-N 404.393 5.635 0 40 HKAB biogenic O=C(Nc1ccc(Oc2cccc(C(F)(F)F)c2)nc1)C(Cl)=C(Cl)Cl 2151855 AZYBEZXWVNRLEX-UHFFFAOYSA-N 411.594 5.717 0 40 HKAB O=C1Nc2ccc(Br)cc2[C@H](c2ccccc2Cl)[C@@H]1N1CCCCC1 2352719 WADJIXHIJZUNAV-OALUTQOASA-N 419.750 5.041 0 40 HKAB Nc1c(C(=O)c2cccs2)sc2nc3c(c(-c4cccs4)c12)CCCCC3 2363318 DGBNXXNVVHWUOO-UHFFFAOYSA-N 410.589 6.168 0 40 HKAB FC(F)(F)C1=NC2=NC3=C(CSc4ccccc43)[C@H](c3ccc(Cl)cc3)N2N1 2631625 AEOFIFAAFGRFJG-INIZCTEOSA-N 420.847 5.049 0 40 HKAB Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3cccc4ccccc34)cc2C1=O 3080184 KPEDOISZUWYLDK-UHFFFAOYSA-N 406.441 5.201 0 40 HKAB Clc1ccc(-n2c(-c3ccccc3)nnc2-c2ccc(-c3ccccc3)cc2)cc1 3122053 SXYTWYDXTSUKIS-UHFFFAOYSA-N 407.904 6.922 0 40 HKAB Cc1cc2ccccn2c1C(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 3204628 JGGITNHJGLETFM-UHFFFAOYSA-N 405.910 5.841 0 40 HKAB CN(c1ccccc1)c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)cc1 3312142 DLRJVLSBJCJQRK-LVZFUZTISA-N 404.473 5.548 0 40 HKAB CC(C)Cc1nnc(NC(=O)CCN2c3ccccc3Sc3ccccc32)s1 3362660 TUCYKDADEBUDSM-UHFFFAOYSA-N 410.568 5.368 0 40 HKAB O=Cc1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1 3764994 OHJCBOUWGMDLGX-UHFFFAOYSA-N 420.100 5.756 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 4031454 SYLVIMOHFMGRNP-UHFFFAOYSA-N 408.567 6.539 0 40 HKAB CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)CC1 4088770 OUVLRMRIGMQDIP-UHFFFAOYSA-N 418.006 6.208 0 40 HKAB CCCCCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccc(C)cc2)cc1 4309847 CWWHHWLQIAIWGA-JOCHJYFZSA-N 418.459 5.337 0 40 HKAB Cc1cccc(COc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2)c1 4548951 CIRCTMWORBFZRI-UHFFFAOYSA-N 402.519 5.418 0 40 HKAB CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)Cc2cccc3ccccc23)c1 4659760 DUXWVYCJLMQODE-UHFFFAOYSA-N 408.929 5.450 0 40 HKAB CCOc1ccc(Nc2nc3ccccc3nc2Nc2ccc(OCC)cc2)cc1 5041138 MDPNKDDPOBCEGO-UHFFFAOYSA-N 400.482 5.914 0 40 HKAB Cc1ccc(C)c(Cn2c([C@@H](C)NC(=O)c3ccc(F)cc3)nc3ccccc32)c1 5545910 VKFUPIVVXXEBQN-GOSISDBHSA-N 401.485 5.332 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)c(OC)c1 6230143 ZZYQHTRHDYUPHY-XUZZJYLKSA-N 404.441 5.085 0 40 HKAB COc1ccc(CN[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 7388045 SVANLYNFGVSHFP-OAQYLSRUSA-N 414.427 5.184 0 40 HKAB Cc1ccc(Cl)c(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)c1Cl 7922051 POJPRWPGPLOINT-GFCCVEGCSA-N 408.354 5.543 0 40 HKAB CC1(C)Cc2cccc(OCC(=O)N3CCCC[C@H]3c3nc4ccccc4s3)c2O1 8076260 URWLNSQVMZWWLR-SFHVURJKSA-N 422.550 5.142 0 40 HKAB Cc1ccc(C)c(-n2c(-c3ccccc3)nn(CC(=O)NC3CCCCC3)c2=S)c1 8411207 FEFIUZJCTIUMJW-UHFFFAOYSA-N 420.582 5.136 0 40 HKAB CCc1ccc2oc(-c3c(Br)cc(Br)c(N)c3C)nc2c1 8702116 ACIIEUFJZZCIMY-UHFFFAOYSA-N 410.109 5.473 0 40 HKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2cccs2)cc1 8925775 SHLCSROQOXPHBC-UHFFFAOYSA-N 415.358 6.705 0 40 HKAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)Nc1ccccc1 9095195 OSZCOWNZXIOSNP-VWLOTQADSA-N 409.489 5.050 0 40 HKAB COc1ccccc1N(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccc(C)cc1 9432121 CFBUTQJFYLWXBX-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB C[C@@]12C[C@@H](c3cc(Cl)ccc3O1)N(C(=O)c1cccs1)C(=O)N2c1ccccc1 9604450 YAWBNHVOTDWLDU-JTSKRJEESA-N 424.909 5.724 0 40 HKAB CSc1ccccc1C(=O)N(C[C@H]1CCCO1)c1nc2cc(C)cc(C)c2s1 11141623 IBBCSUBBOFCCRC-MRXNPFEDSA-N 412.580 5.461 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@@H](Nc2ccc(Br)cc2)c2ccccc2)c1 12597957 MOSJNHHVAFSOAC-NRFANRHFSA-N 423.310 5.444 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5CC=CC[C@]5(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 12654772 XGZQDBRFMPJPBO-KAGRPROJSA-N 410.598 6.032 0 40 HKAB CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(Cl)cc4Cl)cs3)ccc21 12865164 PURGMXKEZZNENG-UHFFFAOYSA-N 418.309 5.134 0 40 HKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@@H](c2ccc(F)cc2)N1 13110683 QUUXEFRWKBUKFP-OAQYLSRUSA-N 401.466 5.358 0 40 HKAB Fc1ccc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1Cl 13281836 VPSAWWXRKNQHMW-UHFFFAOYSA-N 409.251 6.082 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cccc(C)c1 14082075 XEYLGIKSRDYEPP-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB COCc1cc(C)nc2sc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)c(N)c12 15107933 AYHUKWDRGDHSMU-UHFFFAOYSA-N 420.416 5.069 0 40 HKAB CCC(=O)Nc1ccc2nc(SCc3cc(=O)c4cc(C)cc(C)c4[nH]3)sc2c1 15865296 DEQSPRZRNHPVHG-UHFFFAOYSA-N 423.563 5.395 0 40 HKAB Cc1ccc(C(=O)C[C@H](c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)cc1 16291769 ORVRVMQUJSWWCP-RUZDIDTESA-N 418.968 5.785 0 40 HKAB CCOc1ccc(-c2cc3c(SCc4ccc(F)cc4Cl)nccn3n2)cc1 16843203 YTDUVAZOICXCAS-UHFFFAOYSA-N 413.905 5.880 0 40 HKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20044412 WZZYHEUSZREZMX-QGZVFWFLSA-N 421.924 6.100 0 40 HKAB COc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1-c1ccc(CO)o1 20145296 WRTKKDFIFHELJX-GXDHUFHOSA-N 415.445 5.359 0 40 HKAB O=C1c2cc3ccccc3nc2N[C@H](c2ccc(Cl)cc2Cl)N1c1ccccc1 20523118 RTELYPJJOKCFCS-QFIPXVFZSA-N 420.299 6.313 0 40 HKAB Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C\c3ccccc3)CC2)cc1 22864145 SMANXXCATUTDDT-DAXSKMNVSA-N 404.504 5.385 0 40 HKAB Cc1cc(NC(=O)[C@H](N[C@@H]2CCSc3ccc(Cl)cc32)c2ccccc2)no1 23990082 HQZPESHGXDMVDB-YLJYHZDGSA-N 413.930 5.143 0 40 HKAB Cc1nn2c(Nc3ccc(C(C)C)cc3)cc(-c3ccccc3)nc2c1-c1ccccc1 27585083 XCTAGMXDRBZEDZ-UHFFFAOYSA-N 418.544 7.239 0 40 HKAB CCCCOc1ccccc1C(=O)NC[C@H](c1ccc(CC)cc1)N1CCCCC1 28293438 YMOPUNOMYAHZQT-XMMPIXPASA-N 408.586 5.385 0 40 HKAB CC(C)C(=O)Nc1ccc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc1 31604178 BNALSBZONUCDBI-UHFFFAOYSA-N 416.525 5.123 0 40 HKAB C[C@H](NC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)c1ccc(-n2ccnc2)cc1 32794948 PSQYHWNODNSAKG-KSFYIVLOSA-N 420.513 5.223 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1cccc(Cl)c1 33379933 NPVJGFQTYBSJJL-CAZKKTPXSA-N 420.295 5.087 0 40 HKAB S=C(c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)N1CCCCC1 33620994 JRRSDFGPWHRNNZ-UHFFFAOYSA-N 414.785 6.387 0 40 HKAB C[C@H]1CCCCN1C(=O)Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 41127169 KGRQQLKZHAUNOD-ZDUSSCGKSA-N 403.309 5.745 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 44937250 WEZWNVFSVHXFNL-RUZDIDTESA-N 408.586 5.119 0 40 HKAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1cccc(C(F)(F)F)c1)CO3 57110936 IVCLENLCZVEVOL-UHFFFAOYSA-N 403.400 5.035 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(Sc3ccccc3)nc2)cc1 72217610 VQAQANALTGDGQR-OAQYLSRUSA-N 410.564 5.067 0 40 HKAB O=S(=O)(c1ccc(Cl)c(Cl)c1)c1cnc2cc(Cl)ccc2c1Cl 72329801 BEZPXHSZFVRNIM-UHFFFAOYSA-N 407.105 5.681 0 40 HKAB Cc1csc(Nc2cccc([C@H]3CCCN3Cc3c(C)nc4c(C)cccn34)n2)n1 72375787 SQHMBABOJXWSPJ-LJQANCHMSA-N 418.570 5.192 0 40 HKAB Cn1c(SCc2cc(=O)oc3cc4c(cc23)CCC4)nnc1-c1ccc(Cl)cc1 89741412 GDEMEUPDTIFJBP-UHFFFAOYSA-N 423.925 5.023 0 40 HKAB O=C(c1ccccc1)c1coc2ccc(OCc3cccc(Br)c3)cc12 96184094 BDXJNEIFQJMMIE-UHFFFAOYSA-N 407.263 6.005 0 40 HKAB COc1ccc(-n2cc(-c3nc(-c4ccc(C)c(C)c4)no3)c3ccccc3c2=O)cc1 96324262 JVKHJKGQAPVEAW-UHFFFAOYSA-N 423.472 5.333 0 40 HKAB Cc1ccc(C2=NN3[C@H](c4ccccc4Cl)Oc4ccc(Cl)cc4[C@H]3C2)cc1 102683771 OZCOSAXNFYJDAO-GGAORHGYSA-N 409.316 6.544 0 40 HKAB COc1ccccc1[C@H]1C2=C(O)C[C@H](c3ccc(O)cc3)CC2=Nc2onc(C)c21 102731632 ROGOAEAYQCQEIE-IVZQSRNASA-N 402.450 5.305 0 40 HKAB CCCCCCCC[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1 102997244 KTUPIGXZIMYICJ-RDGATRHJSA-N 420.597 6.679 0 40 HKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OCC 106707799 UABJXXZFKQFTIY-STZFKDTASA-N 411.523 5.419 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 222932882 ZKNQWSJAFPOFFL-DEOSSOPVSA-N 415.533 6.011 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)c1 223287134 OIXQVVGNIFCNPZ-FQEVSTJZSA-N 419.590 6.817 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccccc1C(C)C 224565096 WAHVFOSDUWGLSS-UHFFFAOYSA-N 423.940 6.693 0 40 HKAB CCOC(=O)c1cc(NC(=S)NCc2ccc(Cl)cc2Cl)ccc1Cl 225307100 CFFOVJYYGKIHRT-UHFFFAOYSA-N 417.745 5.310 0 40 HKAB O=C(c1ccc(F)cc1)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257209582 BQYSVVDJMOPHIO-PZJWPPBQSA-N 415.892 5.014 0 40 HKAB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)[C@H](O)C[C@@]4(C)[C@H]3CC[C@]12C 257349633 POCIWPZSSSLOPM-VTLULPMBSA-N 418.706 6.685 0 40 HKAB CSc1ncc(/C=C/C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cn1 408530655 KAODPIYVMCYUEJ-MDZDMXLPSA-N 404.520 5.127 0 40 HKAB Cc1nnc(S/C(=C\c2ccccc2OCc2cccc3ccccc23)C(=O)O)o1 408632568 RLCDJIVMZLHXMB-BKUYFWCQSA-N 418.474 5.328 0 40 HKAB O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1cc(F)cc(F)c1 408713120 KWJICMFFVFGJJE-UHFFFAOYSA-N 400.450 5.058 0 40 HKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4C)o3)S2)cc1 408779460 FCHWYQCWXWRUGD-QCHPHUCNSA-N 424.953 6.070 0 40 HKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 409119305 SRFSZEOZTXDAQR-UHFFFAOYSA-N 411.523 5.000 0 40 HKAB COc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1cccc2ccccc12 409195900 RYMSBXSBHAQEGA-UHFFFAOYSA-N 421.899 6.832 0 40 HKAB O=[P@](Nc1ccccc1)(Oc1ccccc1)Oc1ccc(OC(F)(F)F)cc1 1772714620 HEDQPBCHBNICNA-MUUNZHRXSA-N 409.300 6.263 0 40 HKAB Cc1ccc2c(c1)-c1nc(SCc3cccc(C(F)(F)F)c3)ncc1CS2 1403610 WKNZCNJPOHEMHH-UHFFFAOYSA-N 404.482 6.369 0 40 HKAB CC(C)c1ccc(Cn2c([C@@H]3CC(=O)N(c4ccccc4)C3)nc3ccccc32)cc1 1448246 SVEVWNAUWQQRIR-JOCHJYFZSA-N 409.533 5.729 0 40 HKAB Fc1cccc(F)c1CSc1nnc(COc2ccccc2)n1Cc1ccco1 2210760 WPOSOODMNISCNM-UHFFFAOYSA-N 413.449 5.069 0 40 HKAB Cc1ccc(-c2ccc(OC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c(C)c2)cc1 2595342 VCDQHMAGJMIUPG-UHFFFAOYSA-N 414.589 7.785 0 40 HKAB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(NCC(C)C)c2c1C 2624096 BCQGTQSSARUDQG-UHFFFAOYSA-N 415.584 5.537 0 40 HKAB CCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)cc1 2740325 CIJPWKKXRWRFTP-UHFFFAOYSA-N 408.910 6.268 0 40 HKAB CCCC1CCC(C2CCC(OC(=O)c3cncc(Br)c3)CC2)CC1 3108271 KZRGRUFWRMTJSW-UHFFFAOYSA-N 408.380 6.166 0 40 HKAB CSc1ccccc1NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 3238520 MCWDVLPVIIHTPV-UHFFFAOYSA-N 413.583 5.799 0 40 HKAB C[C@H](OC(=O)Nc1ccccc1)c1cccc([C@H](C)OC(=O)Nc2ccccc2)c1 3844732 MSZCLYCQZRSVME-ROUUACIJSA-N 404.466 6.306 0 40 HKAB biogenic Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](c3ccccc3)C2)cc1C 4652663 PCJIEXUDZWQIAC-VWLOTQADSA-N 409.558 6.783 0 40 HKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1ccccc1F 4737036 XOSKEOKXYUSCAE-QHCPKHFHSA-N 413.452 5.165 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)nc2c1 6541013 RBNPGVKJRMKEKD-OAHLLOKOSA-N 414.461 5.989 0 40 HKAB CCCN1C(=O)S[C@@H](Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)C1=O 6879225 BBGNBTOYNHEKCW-SFHVURJKSA-N 407.894 5.075 0 40 HKAB Cc1cc(C)c(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c(Cl)c1 7016209 FTTMEKDDCPJCKW-UHFFFAOYSA-N 411.860 5.344 0 40 HKAB CCc1ccc([C@@H](N[C@@H](C)c2nc3ccccc3c(=O)[nH]2)c2cccc(F)c2)cc1 7285961 TVDVSSMCJNVHMF-QMHKHESXSA-N 401.485 5.065 0 40 HKAB COc1cc(Cl)c(C)cc1NC(=O)CCCSc1nc2ccccc2s1 7813345 CVZVPTCUZLFAIA-UHFFFAOYSA-N 406.960 5.778 0 40 HKAB Cc1ccc(CN(C)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)o1 8325894 BVFRDGKRLODJHW-UHFFFAOYSA-N 413.930 5.282 0 40 HKAB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3)c2C)cc1 8433689 PHNVNVMZXWKZDV-UHFFFAOYSA-N 410.473 5.314 0 40 HKAB COc1ccc(CC(=O)N[C@@H](Cc2ccccc2)c2ccc(-c3ccccc3)cc2)cc1 8715377 VIFYYNWOBDAGGJ-NDEPHWFRSA-N 421.540 6.005 0 40 HKAB COCCCn1c(C)cc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c1C 8745530 OAELUZZRQYZRHF-UHFFFAOYSA-N 409.555 5.280 0 40 HKAB Cc1ccc(C(=O)Nc2nnc(SCc3ccc(Br)cc3)s2)cc1 9366802 SYENQBXEECVGCK-UHFFFAOYSA-N 420.357 5.154 0 40 HKAB Cc1ccc(-n2nc(C)cc2NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)cc1 10842766 NQWXXYZHIUZKSU-UHFFFAOYSA-N 422.485 5.014 0 40 HKAB Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccs2)cc1 12080441 TWHVATIBINPVNU-FXAWDEMLSA-N 411.324 5.753 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2cccs2)oc1N1CCCCCC1 12419676 RZLATRFRWKHYSC-UHFFFAOYSA-N 422.959 5.270 0 40 HKAB COc1ccc(NC(=O)[C@@H](Sc2nc3ccc(OC)cc3[nH]2)c2ccccc2)cc1 12776906 XBXWFBVBULUUNV-NRFANRHFSA-N 419.506 5.052 0 40 HKAB Cc1cc(-c2cc(C(=O)N[C@H]3CCc4ccccc43)c3cnn(C(C)C)c3n2)c(C)o1 14800857 YOKNCQVYQSZSOP-QFIPXVFZSA-N 414.509 5.306 0 40 HKAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC(c1ccccc1)c1ccccc1 15583075 SYEQLHCXYOGCCV-UHFFFAOYSA-N 417.896 5.228 0 40 HKAB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)cc1 18516387 JTTQALHHWVTGFQ-ZDUSSCGKSA-N 421.444 5.019 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)c2[nH]nc3c2CCCCC3)n1 19691291 DDSHIZVCLFFQGW-QHCPKHFHSA-N 418.516 5.165 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 20106782 UVBTZKVGINAXQH-SFTDATJTSA-N 405.991 6.123 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 20484852 YCLHKCWNAYNURX-DHIUTWEWSA-N 409.982 6.425 0 40 HKAB O=C(CSC1=Nc2ccccc2CS1)Nc1c(Cl)cccc1C(F)(F)F 22022006 WWJOZZVPCQZVBE-UHFFFAOYSA-N 416.877 5.965 0 40 HKAB Cc1noc(-c2ccccc2NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)n1 22463983 JELJCLPCTOVKNJ-UHFFFAOYSA-N 414.248 5.864 0 40 HKAB COc1ccc2cc([C@H](C)C(=O)Nc3ccc(NC(=O)CC(C)C)cc3)ccc2c1 24778652 WVQZOOFYFFNCQQ-KRWDZBQOSA-N 404.510 5.575 0 40 HKAB O=C(CCc1nnc(-c2ccccc2)o1)N[C@H](c1ccccc1)c1cc2ccccc2o1 32845948 FEKNBKHJGAXKIE-RUZDIDTESA-N 423.472 5.321 0 40 HKAB Cc1cc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)cc(C)c1OCc1cccnc1 33219136 BMBZYJUIYKMBBK-UHFFFAOYSA-N 416.308 5.419 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)C1CCN(Cc2c(F)cccc2Cl)CC1 39773369 NRDAEKMDXLCQAP-UHFFFAOYSA-N 422.931 5.997 0 40 HKAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3sccc3Br)n2c1 40130990 JIGYDQBZEVKFCT-UHFFFAOYSA-N 412.312 5.386 0 40 HKAB COc1ccc(CSc2nnc(-c3ccc4ncsc4c3)o2)cc1C(F)(F)F 40973164 UTBCIKFSECWBOH-UHFFFAOYSA-N 423.441 5.666 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1C 44856359 STTLQWAZWZHENR-QGZVFWFLSA-N 419.396 5.700 0 40 HKAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(F)(F)F)cc1 49005515 AUJPZLZIXVCFCD-UHFFFAOYSA-N 402.420 5.183 0 40 HKAB Cn1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c(Cl)c2ccccc21 56327616 NVIGSBZHXHMEKN-UHFFFAOYSA-N 409.898 5.398 0 40 HKAB Cc1cccc(C2(O)CCN(c3nnc(-c4ccccc4)c(-c4ccccc4)n3)CC2)c1 57761818 HMNJHFLEDZXGDP-UHFFFAOYSA-N 422.532 5.002 0 40 HKAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2cc(C)ccc2C)nc1 67295179 VQLQZSDSAOSTDS-PNHLSOANSA-N 417.896 5.891 0 40 HKAB Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1cc(F)ccc1Cl 67297003 SDPLZRLZDITSKL-VYIQYICTSA-N 406.844 6.018 0 40 HKAB C[C@@H]1CN(c2ccccc2NC(=O)N[C@@H](c2cccs2)C(C)(C)C)C[C@@H](C)O1 69458931 AMOXPNGDDDEVGE-QINHECLXSA-N 401.576 5.271 0 40 HKAB COc1cccc2sc(N(C)CC(=O)Nc3ccccc3-c3ccccc3)nc12 70973353 RTWAZWDCOBUCLQ-UHFFFAOYSA-N 403.507 5.047 0 40 HKAB Cc1cccc([C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1 71787080 RMCHDBUEIWMOCY-JGCGQSQUSA-N 424.587 8.162 0 40 HKAB CCOc1ccc(CNc2c(C(=O)N(CC)CC)cnc3ccc(Cl)cc23)cc1 72328524 KZBPOBQBPFDSOV-UHFFFAOYSA-N 411.933 5.381 0 40 HKAB Cc1nc(CN(Cc2nnc(C(C)(C)C)o2)[C@@H](C)c2ccc(Cl)cc2)oc1C 89558292 OQVXCGGZAPKPGX-AWEZNQCLSA-N 402.926 5.389 0 40 HKAB O=S(=O)(Cc1c(F)cccc1Cl)C(c1ccc(F)cc1)c1ccc(F)cc1 95948440 AQRLMLHDDKNSII-UHFFFAOYSA-N 410.844 5.462 0 40 HKAB COc1ccc(C(=O)Nc2ccc(-c3csc(Nc4cccnc4)n3)cc2)cc1 96124427 VZYZPUGJJUPSEI-UHFFFAOYSA-N 402.479 5.210 0 40 HKAB O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1cc(C2CC2)on1 96124445 GIOPQMPVDGQOCU-UHFFFAOYSA-N 403.467 5.066 0 40 HKAB CCN(C(=O)Nc1cccc(OC(F)F)c1C)[C@@H]1CCN([C@H](C)c2ccccc2)C1 107153078 XEQXWAKJRPHZNF-IEBWSBKVSA-N 417.500 5.286 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913035 SJZZRXMQSAXCFD-CJITWLRWSA-N 418.662 5.763 0 40 HKAB in-vitro COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1CSc1ccc(Cl)cc1 224346954 SQMCNYWYQPEPOH-UHFFFAOYSA-N 411.954 6.510 0 40 HKAB FC(F)(F)c1cccc(NC(=S)NCCCSCc2ccc(Cl)cc2)c1 225609268 ZZQSXMDGUOJCJV-UHFFFAOYSA-N 418.937 5.969 0 40 HKAB CC(=O)Oc1ccc(OC(C)=O)c(C[C@]2(C)[C@H](C)CC[C@]3(C)[C@@H](C)CCC[C@H]32)c1 253490629 JNPCOXQSZZCMMB-MABKOXAWSA-N 400.559 5.958 0 40 HKAB Cc1cn(S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c(-c2ccccc2)n1 256055637 OAHHBDFIAMXHGS-UHFFFAOYSA-N 401.702 5.056 0 40 HKAB COc1ccccc1NC(=O)COc1ccc(CNc2ccc(C)c(C)c2)cc1Cl 408558985 WWFNXNGVXSBGKS-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CSCc3ccc(OC)cc3)ccc21 408562549 AOJFUOHKRBKPLI-UHFFFAOYSA-N 404.535 5.695 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)c1 408621168 KCASYHAFVHMSSM-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccc(C)c(C)c2)c1 408695596 RNOHCAYMGUPYEL-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB CCCc1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccc(C)cc1 408828925 OFFVRUYOZSDEMV-UHFFFAOYSA-N 415.356 6.086 0 40 HKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)cc1C 409112325 FWUAOPJWNMPDGS-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB CCCN1C(=O)S/C(=C/c2cccc(OCc3cccc4ccccc34)c2)C1=O 409353299 ITQUKBCTAREJPV-PXLXIMEGSA-N 403.503 5.865 0 40 HKAB COc1ccc2[nH]c(C)c(-c3csc(NC(=O)[C@H](CC(C)C)n4cccc4)n3)c2c1 575443194 ODUPSTVOFILWKQ-FQEVSTJZSA-N 422.554 5.636 0 40 HKAB Cc1sc(NC(=O)c2ccco2)c(CN2CCC(Cc3ccccc3)CC2)c1C 950078 VFEBSWQSDNNTBL-UHFFFAOYSA-N 408.567 5.665 0 40 HKAB CC1(C)CC(=O)c2c(oc3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc23)C1 1773921 ZKVSWJOCEKWGGH-UHFFFAOYSA-N 419.502 5.542 0 40 HKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)C(c1ccccc1)c1ccccc1 1782915 JSEQBIAYFOBMPO-UHFFFAOYSA-N 420.537 6.734 0 40 HKAB Cc1ccc(-c2csc3ncnc(Oc4cccc(C(F)(F)F)c4)c23)cc1C 1895532 XKGPRAASXNJTOF-UHFFFAOYSA-N 400.425 6.786 0 40 HKAB C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(-c2ccccc2)cc1 2285925 HFJSJLBABIZLTL-KDYSTLNUSA-N 418.540 6.946 0 40 HKAB Cc1c(OCC(=O)c2ccc(-c3ccccc3)cc2)ccc2c3c(c(=O)oc12)CCC3 2299954 PZBMOKVVIORWRU-UHFFFAOYSA-N 410.469 5.519 0 40 HKAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(c1cc(Cl)cc(Cl)c1)CO2 2337034 FJMOOYNQSIWWRM-UHFFFAOYSA-N 402.277 5.253 0 40 HKAB CC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1C(F)(F)F 2660642 CSXXOJDJDQPDLH-UHFFFAOYSA-N 411.836 5.288 0 40 HKAB O=C(CSc1ccccc1Cl)NCCSc1ccc(Br)cc1 3104398 ZDOUISYCBWAOEX-UHFFFAOYSA-N 416.793 5.103 0 40 HKAB CCO[C@]1(C)C(=O)c2ccc(C(C)C)cc2N1Nc1cc(C(C)C)ccc1C(=O)CC 3181483 VMSBCKSFUGTZJC-AREMUKBSSA-N 422.569 6.309 0 40 HKAB C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1 3881613 UBWXUGDQUBIEIZ-QNTYDACNSA-N 406.566 5.673 0 40 HKAB world CCCN(CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC)cc1 4027715 RJLPRFHBCYYQNW-AOYPEHQESA-N 409.614 6.286 0 40 HKAB biogenic CCCCCC1CCC(c2nnc3n2N=C(c2ccc(Cl)cc2)CS3)CC1 4036553 CRIVEFXWQRPXAG-UHFFFAOYSA-N 402.995 6.144 0 40 HKAB Cc1ccc(-n2c(SCC(=O)c3ccccc3F)nnc2-c2ccncc2)cc1C 4491100 DZTNXCDTNOADKO-UHFFFAOYSA-N 418.497 5.060 0 40 HKAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccccc1C(F)(F)F 4619314 ORGQWCUZQSHNPC-UHFFFAOYSA-N 410.446 5.031 0 40 HKAB COc1cc2c(cc1OC)[C@H]1CCCC[C@H]1O[C@@H]2c1cccc(Br)c1 4788423 BWNAZAWQUGLOEV-FQELHTAISA-N 403.316 5.612 0 40 HKAB O=C1C[C@@]2(c3ccccc31)c1ccccc1[C@]1(c3ccccc3)c3ccccc3C(=O)[C@H]21 4831164 FYBGQGQDKPCNAS-OCBJUFRSSA-N 412.488 5.720 0 40 HKAB O=C1C(Nc2ccc(Cl)cc2)=C[C@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1 4854540 QDCUEEZQNMNPOH-OAQYLSRUSA-N 413.279 6.216 0 40 HKAB COc1cc(NC(=O)c2cccc(Cl)c2Cl)ccc1NC(=O)c1ccco1 5008327 WVLQSHFWOCKOAR-UHFFFAOYSA-N 405.237 5.100 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1 5164201 ZNMDYRBJLIGPMV-IBEVICDGSA-N 421.556 5.857 0 40 HKAB biogenic,in-vitro CC(C)(C)c1ccc(-c2nnc(SCc3cccc(F)c3)n2-c2ccccc2)cc1 5478638 BJGNPWRZTCLHPI-UHFFFAOYSA-N 417.553 6.663 0 40 HKAB COc1ccccc1-c1nc(C(=O)NCCc2ccccc2)cc2c1[nH]c1ccccc12 5961115 LHHUQGZWGHKZQP-UHFFFAOYSA-N 421.500 5.364 0 40 HKAB biogenic Cc1cc(C2=NN=C(N[C@H]3CCCC[C@H]3C)SC2)c(C)n1CCc1ccccc1 6280712 KTXIEAFDKAAPGH-VGSWGCGISA-N 408.615 5.323 0 40 HKAB CC(=O)c1cc(C)ccc1OC(=O)c1cc(-c2cc(Cl)ccc2Cl)oc1C 6281686 XVNATAMCFXLASM-UHFFFAOYSA-N 403.261 6.292 0 40 HKAB CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O 6752552 XERCYGGFYVOBJV-QFIPXVFZSA-N 415.581 6.090 0 40 HKAB O=C(Nc1ccc(Cl)cc1)OC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 6926403 XPHYTTUUGJTJAU-UHFFFAOYSA-N 408.285 5.238 0 40 HKAB Cc1cccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c2C)c1C 6968426 WKTCYTNKLRDSII-NLRVBDNBSA-N 418.540 6.930 0 40 HKAB COc1ccc([C@@]2(c3ccccc3F)C=Cc3c(ccc4oc5ccccc5c34)O2)cc1 7060078 MCACPNYAXULDQA-MUUNZHRXSA-N 422.455 7.083 0 40 HKAB O=C(CSc1nccn1Cc1ccc(F)cc1)Nc1ccc(Cl)c(Cl)c1 7391629 JSHLVLVVHATFHA-UHFFFAOYSA-N 410.301 5.108 0 40 HKAB C[C@@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1 7738201 ALNGEALSYOSMPK-LLVKDONJSA-N 414.943 5.459 0 40 HKAB Cc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)n(-c3ccccc3)c2=S)cc1 8412614 OPWLYAIUQYJAIA-UHFFFAOYSA-N 414.534 5.326 0 40 HKAB Clc1ccccc1COc1ccc(Br)cc1CNCc1cccnc1 8435788 BWAKLJAOBAWGDW-UHFFFAOYSA-N 417.734 5.366 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccccc2SC(C)C)sc2c1CCCC2 8479228 DONCLHYRVCSCSB-UHFFFAOYSA-N 403.569 5.556 0 40 HKAB COCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)C1CCCCC1 9059748 YDZRWVBSWVVRLX-UHFFFAOYSA-N 408.546 5.204 0 40 HKAB O=C(C1c2ccccc2Oc2ccccc21)N(C(=O)N1CCCCC1)c1ccccc1 9317745 LLZXGZNKJCLWNW-UHFFFAOYSA-N 412.489 5.563 0 40 HKAB CC(=O)Nc1ccc(NC(=O)N[C@@H](c2ccc(C(C)C)cc2)c2cccs2)cc1 9517073 PFGGRKHECDTORO-QFIPXVFZSA-N 407.539 5.741 0 40 HKAB Cn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccc(Cl)cc1 9562330 TVUWVVDYQOPMSS-OAQYLSRUSA-N 419.937 5.852 0 40 HKAB Cc1cccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(C)c(Cl)c3)cs2)c1 9625622 IWRUMFKAWFBIME-UHFFFAOYSA-N 414.918 5.239 0 40 HKAB Cc1ccc(-c2c(C(=O)Nc3cc(C)on3)c(C)nc3sc4c(c23)CCC4)cc1 11117447 DACBYFIBLVDYSF-UHFFFAOYSA-N 403.507 5.618 0 40 HKAB C(=C1\CCc2c1nc1c(c2-c2ccccc2)CC/C1=C\c1cccnc1)\c1cccnc1 11667020 GZFYTWPBLIQPNG-WPHIWBHXSA-N 413.524 6.512 0 40 HKAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(Cl)c3C)c3ccccn23)cc1 12342152 XTXYGEBGJKHDQR-UHFFFAOYSA-N 417.896 5.275 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N(C)Cc2ccccc2)cc1 12419636 VHNPZFBWLNBZOB-UHFFFAOYSA-N 424.547 5.181 0 40 HKAB CCCOc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c(OCCC)c1 12600158 UKRPUYHMTKWEBY-SANMLTNESA-N 413.521 6.253 0 40 HKAB Cc1cc(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)nc2ccccc12 12650971 MTFDZSANNWMCLJ-ZIAGYGMSSA-N 419.377 6.208 0 40 HKAB COc1cccc(-c2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)cs2)c1OC 12822275 HINZGVQWAPQVKP-UHFFFAOYSA-N 409.294 5.386 0 40 HKAB CC(=O)c1ccc(NC(=O)[C@@H](C)SCc2coc(-c3ccc(Cl)cc3)n2)cc1 12923864 INERNQHNOCBVEJ-CQSZACIVSA-N 414.914 5.458 0 40 HKAB Cc1nc(C2CC2)nc2sc(C(=O)Nc3ccccc3OCC(F)(F)F)c(C)c12 12982745 BIOBEYAGYGAAKL-UHFFFAOYSA-N 421.444 5.379 0 40 HKAB CCOc1ccc2oc(-c3ccccc3)c(C(=O)Nc3ccc(OC)cc3OC)c2c1 15880492 KVZUTCRWGQXIET-UHFFFAOYSA-N 417.461 5.768 0 40 HKAB biogenic Cc1cc(Br)cc(C)c1NC(=O)CCCc1nc(-c2ccccc2)no1 16269457 URPYJNZPSWRIGW-UHFFFAOYSA-N 414.303 5.077 0 40 HKAB CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 17090361 BSWGMIGHXHOMKW-UHFFFAOYSA-N 415.518 5.631 0 40 HKAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3Cc3cccnc3)cc2N1 19083334 VCRMFRYYASZRSD-CEXWTWQISA-N 421.511 5.339 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 20143990 MSYUJTNFTFCQDK-UHFFFAOYSA-N 413.901 5.407 0 40 HKAB Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 20366677 ICNHFISLXLPNRK-FQEVSTJZSA-N 403.869 5.218 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1)c1ccc(OC)cc1 20486148 GWAZNIOCRJOGOQ-GBOLQPHISA-N 401.506 5.512 0 40 HKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 20611149 XOYNFKAZESPMAA-MRXNPFEDSA-N 418.472 5.298 0 40 HKAB O=C(Nc1ccccc1Br)c1cccnc1Nc1ccc(F)c(Cl)c1 22072686 LBONECFSBMYDDO-UHFFFAOYSA-N 420.669 5.633 0 40 HKAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc2c(F)cccc2s1 24023483 ZGYSHARYGVRVAW-UHFFFAOYSA-N 424.419 5.160 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N(C)C)oc2c1 28289685 IGSYPSXCUACSBY-NRFANRHFSA-N 406.570 5.688 0 40 HKAB O=C(c1csc2ccccc12)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 32753570 GWPBAZIFLRXFGW-UHFFFAOYSA-N 407.926 5.065 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c(Br)c1 44885215 UQFMELJZPZANHU-LJQANCHMSA-N 416.359 5.319 0 40 HKAB COc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1Cl 57317034 HOLLLCDRWPTOOR-UHFFFAOYSA-N 420.690 5.301 0 40 HKAB C[C@H]1CCCCN1C(=O)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Cl)nc2c1 59843032 YICNZASRAAALBK-NSHDSACASA-N 423.727 6.470 0 40 HKAB Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)cc1 67190096 ZPIFTIDAPXSQBI-RWEWTDSWSA-N 403.869 5.583 0 40 HKAB c1ccc(C(Nc2ncc(-c3cnccn3)c(-c3ccco3)n2)c2ccccc2)cc1 72338676 NCCVUSKRYBRVOP-UHFFFAOYSA-N 405.461 5.395 0 40 HKAB CC[C@H]1COCCN1c1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12 78813818 NCKDKPRUYQQZQX-KRWDZBQOSA-N 402.523 5.036 0 40 HKAB c1ccc(C(c2ccccc2)(c2ccccc2)N2CCN(c3ccncc3)CC2)cc1 95635067 QJAGUTKAAAHJHF-UHFFFAOYSA-N 405.545 5.196 0 40 HKAB Fc1cccc(Cl)c1[C@H]1C=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn21 101232688 OJNQXUVFHNAVIT-OAQYLSRUSA-N 402.860 5.794 0 40 HKAB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccc(C)cc2)C1=O 106703041 WGNIKWAODDSYJO-HAHDFKILSA-N 417.530 6.174 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1C 218885557 SGLURHGGIZKUIR-MRXNPFEDSA-N 418.375 5.620 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C)c1ccc(C)cc1C 223153738 AJAXKYAFEGHGEW-VNLJKWRZSA-N 416.521 5.243 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)CCc2ccc(Cl)cc2Cl)cc1C(C)C 223386590 BOKYVCRNPNCYAO-OAHLLOKOSA-N 408.369 6.244 0 40 HKAB Cc1c(Cl)cnc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c1Cl 223981633 NGUOQIAFCHKYSS-UHFFFAOYSA-N 412.361 5.634 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1ccc(OC)cc1 224597632 UIHHSLATBOUNSF-UHFFFAOYSA-N 405.494 5.488 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3c(C)cccc3C)o2)cc1 224917122 IKDYTRJCLZFPON-UHFFFAOYSA-N 412.489 6.276 0 40 HKAB CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc2ccccc2c1 225057201 DHRBIKQDCHJJRH-UHFFFAOYSA-N 417.530 5.634 0 40 HKAB CC(C)C[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccccc1 225493215 IAPUHYKNYVUPAQ-XMMPIXPASA-N 420.647 7.053 0 40 HKAB CCOC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1 226334897 DXLXCYIYIJNJEZ-ACCUITESSA-N 411.295 5.758 0 40 HKAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257269994 MSHZCRPZDSOAQO-JOCHJYFZSA-N 417.896 5.444 0 40 HKAB COc1ccc(/C=C(/C(=O)NCCSCc2ccccc2C)c2ccccc2)cc1 409027673 OLJZUZPAJPVIST-XIEYBQDHSA-N 417.574 5.594 0 40 HKAB Cc1ccc(Cl)cc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 409115869 HYKLEDBXLCKXIJ-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB CCCOc1ccc(C)cc1-c1ccc(C(=O)O)c(Cc2ccc(F)cc2Cl)n1 585265692 YCNUMHUGCOBHDF-UHFFFAOYSA-N 413.876 5.927 0 40 HKAB O=C(O)c1ccc(-c2ccc3[nH]c4ccc(-c5ccc(C(=O)O)cc5)cc4c3c2)cc1 2048532771 OCRAPMAUDXQSFE-UHFFFAOYSA-N 407.425 6.052 0 40 HKAB CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 975236 FNFIVEVUYCWLBW-UHFFFAOYSA-N 413.477 5.732 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccc(OC)c2)c1 1006670 ZMURDYMJNDROMU-UHFFFAOYSA-N 424.884 5.252 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1Nc1nc2ccccc2nc1Cl 2332965 RMZCYMUXPFZCHB-UHFFFAOYSA-N 423.925 6.240 0 40 HKAB C[C@@H]1CCc2nc3ccccc3c(C(=O)Nc3ccc(Br)cc3F)c2C1 2632502 WBHFHKOKGBMEQL-GFCCVEGCSA-N 413.290 5.514 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3nnc(C4CCCCC4)s3)c3ccccc3n2)o1 2773231 KWQZQVUSDWMXNT-UHFFFAOYSA-N 418.522 5.955 0 40 HKAB CCOc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)c2C(=O)OC)cc1 2889672 XLKBGTMPKFDXLY-UHFFFAOYSA-N 415.898 5.506 0 40 HKAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(OC(C)C)cc2)CSC3)c1C 3008330 MJQWXYJOIRGNLK-UHFFFAOYSA-N 407.539 5.275 0 40 HKAB O=c1cc(-c2ccccc2)c2ccc(OCc3csc(-c4ccccc4)n3)cc2o1 3291700 GBHHXXRWPDUERD-UHFFFAOYSA-N 411.482 6.163 0 40 HKAB Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc(Br)o2)c2ccc(C)cc2)cc1 3295129 VMLKUPFEHJRLOV-FQEVSTJZSA-N 413.267 5.440 0 40 HKAB COc1ccc(-c2nn(CN(C)Cc3ccc(Cl)c(Cl)c3)c(=S)o2)cc1 3570119 VHAMSANLNDVVPM-UHFFFAOYSA-N 410.326 5.277 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2c(Cl)cccc2Cl)N3)C1 4545734 QEQZCJJONHWXCH-ZMZPIMSZSA-N 423.409 7.025 0 40 HKAB Cc1ccccc1Nc1c(-c2ccc(Cl)cc2)nc2ccc(Br)cn12 4733857 GRQDCCCGCNMRPJ-UHFFFAOYSA-N 412.718 6.469 0 40 HKAB Cc1ccc(NC(=O)c2cnn3c(-c4ccccc4)cc(-c4ccccc4)nc23)cc1C 4748767 OEHDORJFXSXKFH-UHFFFAOYSA-N 418.500 5.932 0 40 HKAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccc(OC)cc2)C[C@@H]1c1ccc(Cl)cc1 4816794 HWUYGBPNMSIGKG-NHCUHLMSSA-N 424.932 5.198 0 40 HKAB COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)CC(C)C)c3ncnn32)cc1 4816797 KKBZBDMBSLFTBU-RTWAWAEBSA-N 424.932 5.054 0 40 HKAB CCCCOc1ccc(-c2csc3nc4cc(Br)ccc4n23)cc1 5318088 QVAQXTBNSBSONI-UHFFFAOYSA-N 401.329 6.157 0 40 HKAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1ccc(C(=O)O)o1)CCCC3 5555166 VDFPTHMEJGOVST-UHFFFAOYSA-N 424.493 5.665 0 40 HKAB CCOc1cc(C=O)cc(Br)c1OCc1ccccc1Br 5592985 SRBZRHFBLBTQDH-UHFFFAOYSA-N 414.093 5.002 0 40 HKAB CC1=C(C)[C@H](c2c(-c3ccc(C)cc3)n(C)c3ccccc23)N(C[C@@H]2CCCO2)C1=O 6256127 VVKODPBZFVFIQS-SQJMNOBHSA-N 414.549 5.552 0 40 HKAB CCCCC1=N[C@H]2Sc3c(NCCc4ccccc4)ncnc3[C@H]2C2=C1CCC2 6309785 VJPVCPKWDBIHAA-YKSBVNFPSA-N 404.583 5.772 0 40 HKAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc4ccccc4c3)C2=O)cc1 6363558 HINYOIIBKHVTJQ-FYJGNVAPSA-N 403.459 5.002 0 40 HKAB CCCCOc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(C)cc32)cc1 6480935 ULWQMKDPEPUDTM-UHFFFAOYSA-N 401.485 5.747 0 40 HKAB Cc1nc(SCCOc2ccc(F)cc2)c2c(-c3cccs3)csc2n1 6510776 JBGROCIXGCMAAN-UHFFFAOYSA-N 402.541 6.038 0 40 HKAB CC1CCN(C(=O)[C@H](C)Sc2nnc(Nc3ccc(C(C)C)cc3)s2)CC1 6788205 FILIOEJZLKHRQC-HNNXBMFYSA-N 404.605 5.144 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CCc4ccccc43)cc12 6788736 UIXBUUWDMCFNKB-UHFFFAOYSA-N 407.926 5.311 0 40 HKAB COc1cccc(Oc2ccc(C(F)(F)F)cc2Nc2nc3ccccc3o2)c1 7158137 XKADQUWVLVKKKT-UHFFFAOYSA-N 400.356 6.391 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(C)c(C)n2C2CCCCC2)c1C 7319455 DNDNNPUHBGIELH-QGZVFWFLSA-N 401.576 5.516 0 40 HKAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1cc(C2CC2)nc2ccccc12 7492211 WCNDRNATTYDGSM-UHFFFAOYSA-N 419.956 5.160 0 40 HKAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2[C@@H](C)c2ccccc2)CC1=O 7543702 RLLWFBGOYCIVRC-ICSRJNTNSA-N 411.505 5.175 0 40 HKAB Cc1sc2ncnc(Oc3ccc(NC(=O)c4ccccc4Cl)cc3)c2c1C 7982517 QZXMBDIPTMXOOM-UHFFFAOYSA-N 409.898 6.006 0 40 HKAB CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)c3cccc(Cl)c3)o2)cc1 8190972 LVJJMVDGLHGTAH-AWEZNQCLSA-N 415.946 5.600 0 40 HKAB Cc1noc(C)c1COc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)cc1 8193712 ZFNACGXKTDZNCF-QFIPXVFZSA-N 410.901 5.405 0 40 HKAB Cc1ccc2c(C)c(C(=O)N3CCC(c4nc5ccccc5s4)CC3)oc2c1C 8586674 FEUWJFZKILTHME-UHFFFAOYSA-N 404.535 5.988 0 40 HKAB Cc1nc2c(Oc3ccccc3)cccc2c2c1CCN2c1ccc(C(F)(F)F)cc1 8873602 DRGLBNMEDWQLOR-UHFFFAOYSA-N 420.434 7.049 0 40 HKAB O=C(Nc1cc(OCc2ccccc2)c(Cl)cc1Cl)c1c(F)cccc1F 8888108 GSMZKIPNOAWEQV-UHFFFAOYSA-N 408.231 6.103 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 9305263 JODOFKAMAITHJK-UHFFFAOYSA-N 410.882 5.585 0 40 HKAB CN(C)c1ccc([C@H](CNC(=O)CCc2ccsc2)c2c[nH]c3ccccc23)cc1 9335839 ZSCZVAPJEYEIAV-QFIPXVFZSA-N 417.578 5.176 0 40 HKAB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc5c(c4)OCCO5)c3)nc2c1 9500022 VIZWAEMWPQXORP-UHFFFAOYSA-N 420.852 5.480 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9593965 BRCAYIBUWUTAID-KRWDZBQOSA-N 407.297 5.524 0 40 HKAB Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 9715926 SIGRSMUDMSIYIP-UHFFFAOYSA-N 414.305 5.940 0 40 HKAB O=C(Nc1ccc(SCc2cccnc2)cc1)c1cc(C2CC2)nc2ccccc12 12556281 LRPBEWBKKWIVOG-UHFFFAOYSA-N 411.530 6.052 0 40 HKAB COc1ccc(C2=C[C@@H](c3ccccc3)[C@H]3CCCC[C@@]34Oc3ccccc3N24)cc1 12656898 HGGPYRPVMWSYOB-VYKTZEHYSA-N 409.529 6.619 0 40 HKAB CC(C)c1ccc([C@H](NC(=O)C2CCN(C(=O)c3ccsc3)CC2)C(C)C)cc1 12978420 LHWABEWKQITTOE-JOCHJYFZSA-N 412.599 5.237 0 40 HKAB CSc1ccccc1NC(=O)CCSCc1cc(Cl)c2c(c1)OCCO2 13024065 DDSICLCGCSHEDM-UHFFFAOYSA-N 409.960 5.095 0 40 HKAB O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)Nc1cccc(Cl)c1Cl 13056410 IYWQESJQGBVGRY-ZDUSSCGKSA-N 420.365 5.421 0 40 HKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Br)c(Cl)c1 13709328 KIULCYPVORMCCD-GFCCVEGCSA-N 404.691 5.662 0 40 HKAB C[C@@H](NC(=O)c1ccc(SCc2cscn2)cc1)C12CC3CC(CC(C3)C1)C2 14253182 AOTNIVHLPGIMIH-LRYXAPPNSA-N 412.624 5.770 0 40 HKAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 15325284 ZNZPUKSEEJNHQT-IAGOWNOFSA-N 422.912 5.237 0 40 HKAB O=C(/C=C/c1ccccc1)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 15729432 RXWYGYNHTDEQPR-XNTDXEJSSA-N 401.849 5.969 0 40 HKAB COc1cccc(-c2nn(-c3ccc(F)cc3)c(-c3cccc(OC)c3)c2Cl)c1 17088120 NVFASORKZPXPOR-UHFFFAOYSA-N 408.860 6.016 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc(C)c1Cl 17092637 WPOLKGFETNPDGP-UHFFFAOYSA-N 421.368 5.864 0 40 HKAB CCOc1ccccc1N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21 17747680 WUJFQWSVRQDVSZ-OBGWFSINSA-N 418.880 5.379 0 40 HKAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1SC(=S)N1CCCCC1 18180001 WOMJILJLYXUCTA-UHFFFAOYSA-N 414.983 5.711 0 40 HKAB O=C(C1CCCC1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373194 VILCUEHMKIAAFI-JOCHJYFZSA-N 413.525 5.136 0 40 HKAB FC(F)(F)c1cc(-c2ccco2)nc(SCc2cc3c(cc2Cl)OCO3)n1 20120540 UZJGXVYSPXLLFN-UHFFFAOYSA-N 414.792 5.430 0 40 HKAB Cc1cc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)ccc1Br 20454914 GQAIGPBSIWGDLD-UHFFFAOYSA-N 401.348 5.242 0 40 HKAB Cc1ccccc1[C@@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccccc1 20494104 QKBHRPVEPHFSSN-DVECYGJZSA-N 407.941 5.938 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc5nsnc5c4)ccc3o2)c1 21595490 VLAXUOFBSXBWSH-UHFFFAOYSA-N 400.463 5.369 0 40 HKAB COc1cc(Br)c(CN[C@H](C)c2ccc(Cl)cc2Cl)cc1OC 22776826 ACQNLTQHCUIYOO-SNVBAGLBSA-N 419.146 5.624 0 40 HKAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(SCc2cscn2)cc1 23077896 VRIQGKXUELWLCK-UHFFFAOYSA-N 417.968 5.951 0 40 HKAB CCN(C(=O)c1cccc(OC)c1)[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27993041 NNLVYGSAQRIDLM-RUZDIDTESA-N 414.505 5.437 0 40 HKAB Oc1[nH]c(=S)nc2c1[C@@H](c1ccc(C(F)(F)F)cc1)C=C(c1ccccc1)N2 28466216 ZTTAWWGVKQRAHF-CQSZACIVSA-N 401.413 5.462 0 40 HKAB CC1(C)C[C@H](NCC[C@@](C)(c2ccccc2)c2cccc(C(F)(F)F)c2)CCO1 32095829 XXMPDBUWKJDISG-GGAORHGYSA-N 405.504 5.949 0 40 HKAB CCCCCOc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 32622500 SNDMSXOIBMWLLK-UHFFFAOYSA-N 408.567 5.885 0 40 HKAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)[C@@H](C)Oc3ccc(F)cc3)n2)cc1 32622912 BZLZDFTUDVTSMI-MRXNPFEDSA-N 417.440 5.257 0 40 HKAB Cc1cccc(NC(=O)COc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)c1 33327301 DBPWYBIRAIVMQB-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CNCc3ccc4c(c3)OCO4)CCC[C@@]21C 33779617 YOOJEFRMLLOATM-PKTNWEFCSA-N 419.609 6.339 0 40 HKAB CC1=C(C(=O)OC(C)(C)C)C(c2ccc(Cl)cc2)C(C(=O)OC(C)(C)C)=C(C)N1 34781701 DQXAUPAMUJAGTF-UHFFFAOYSA-N 419.949 5.258 0 40 HKAB CC(C)CNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 36359098 VMDFZCHFOMYZQM-QFIPXVFZSA-N 408.517 5.045 0 40 HKAB C=Cc1ccc(CSc2nccn3nc(-c4ccc(OCC)c(Cl)c4)cc23)cc1 45925440 OHEVQLPAFQHELC-UHFFFAOYSA-N 421.953 6.384 0 40 HKAB CSc1ccc(Cl)c(C(=O)N[C@H](c2nc(-c3ccccc3)no2)C(C)C)c1 58003122 LDRJFDOJPUHULE-KRWDZBQOSA-N 401.919 5.239 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@H]1CCc2cc(Cl)ccc21 60015129 DLGMHVHRXFCFJT-KRWDZBQOSA-N 404.272 5.044 0 40 HKAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2oc3c(C)ccc(C)c3c2C)c1C 60102646 DAJGDBSLRNAKRT-UHFFFAOYSA-N 414.527 5.070 0 40 HKAB CSc1ccc(CNC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1 64872314 DVVPYZXZTOBDNI-UHFFFAOYSA-N 418.587 6.166 0 40 HKAB CCc1ccc(-n2nc(-c3nc(-c4ccc(C)c(C)c4)no3)c3ccccc3c2=O)cc1 64950098 CMOVLCNTTRWWHX-UHFFFAOYSA-N 422.488 5.282 0 40 HKAB COCc1nc(C(=O)N(c2cc(C)cc(C)c2)c2nc3ccccc3s2)cs1 65048639 LAQLPESFVOIMOH-UHFFFAOYSA-N 409.536 5.495 0 40 HKAB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)Nc1ccc(F)c(F)c1F 70012873 LDGXEHBJEMTAAH-UHFFFAOYSA-N 408.376 5.118 0 40 HKAB Cc1cc(C(=O)N2C[C@@H]3[C@@H](CCC[C@@]3(O)c3cccc(C(F)(F)F)c3)C2)sc1C 72340402 RZHBBUFATDTUKH-RRMPHLOHSA-N 423.500 5.144 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 79133769 HPFCPAKTUUKKCP-AYPRRHFASA-N 416.690 7.809 0 40 HKAB CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 100273327 SZZFXLQJFKZXKD-RCDICMHDSA-N 421.368 6.123 0 40 HKAB O=C1Nc2ccc(Cl)cc2[C@@]12C=C(c1ccc(F)cc1)Nc1ccccc1S2 101493974 VWJZAFXHIVKUEH-QFIPXVFZSA-N 408.885 5.885 0 40 HKAB C[C@H](Oc1ccccc1)c1nc2ccccc2n1CC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102263968 ZUVQMTWYRSFTPO-PTXJCGOLSA-N 417.553 5.117 0 40 HKAB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1ccccc1F 214343270 HKNIIBQPIFJGGX-YBFXNURJSA-N 413.857 5.976 0 40 HKAB CC[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(C)c(C)c1 218947173 YJYSYLBRZKWZOZ-QGZVFWFLSA-N 410.739 5.366 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cccc2ccccc12 219046628 IPYTXSTVEOFXLG-KKSFZXQISA-N 405.494 5.034 0 40 HKAB CCOC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 219836765 BKDDZEGHRIDJDK-UHFFFAOYSA-N 409.869 5.348 0 40 HKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cc(Cl)ccc2C)o1 222896552 SQFVYQLVDFDXPX-NHCUHLMSSA-N 411.958 5.686 0 40 HKAB C[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCCC2 222906055 FFCPSXFXNJLSDM-NRFANRHFSA-N 424.588 5.615 0 40 HKAB S=C(NCc1ccccc1Cl)Nc1ccc(N2CCCc3ccccc32)nc1 223935636 OMZHUZHDIRFXQW-UHFFFAOYSA-N 408.958 5.306 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1cc(C)cc(C)c1 224192196 BVVMSSHOPUMUTM-UHFFFAOYSA-N 403.522 6.267 0 40 HKAB CCc1ccc(OCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 224381278 URWQPIZJCSVCII-UHFFFAOYSA-N 421.562 5.229 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1cccc(Cl)c1 224489250 ARXOKFUUGHVAEP-UHFFFAOYSA-N 417.839 5.848 0 40 HKAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 224610648 GSJPCEIRYVNUAS-PKTZIBPZSA-N 418.566 5.271 0 40 HKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 224827837 UTPXUIAMHFDNDN-NTKDMRAZSA-N 419.565 5.676 0 40 HKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CCCCC1 225013095 JJCXYTOXQUJEFM-DNQXCXABSA-N 422.642 5.920 0 40 HKAB Cc1cc(C)n(Cc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)n1 225285366 LWQJEKARIIOJBG-UHFFFAOYSA-N 409.533 5.391 0 40 HKAB COc1ccc(CCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 225315579 BDJNJGDCFBPUDT-UHFFFAOYSA-N 415.533 5.795 0 40 HKAB FC(F)(F)c1cc(NC(=S)NCc2ccc(-n3ccnc3)cc2)ccc1Cl 225453456 SQKCTMGJGNYGFD-UHFFFAOYSA-N 410.852 5.031 0 40 HKAB Cc1cccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC(C)C)c1 225507560 HARKZBDVLPKYGM-OAQYLSRUSA-N 422.613 5.167 0 40 HKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)ccc1OC1CCCC1 225551998 RXFNVNBHAPNLOB-UHFFFAOYSA-N 411.973 6.810 0 40 HKAB COc1ccc(OC)c([C@@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 225825432 LTOQUGVUDPZPAQ-GFCCVEGCSA-N 414.354 5.121 0 40 HKAB CCOc1ccc(Nc2cccc(-c3ccc(-c4ccc(Cl)nc4)nc3)n2)cc1 257313686 UTQPULHLRBTORE-UHFFFAOYSA-N 402.885 6.001 0 40 HKAB COc1ccc(/C=C(/C(=O)NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 408573998 GVKKNCCCMPKEJG-SZXQPVLSSA-N 419.524 6.142 0 40 HKAB Cc1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1C 408621744 PJLSLKBIIJJVTL-UHFFFAOYSA-N 402.881 5.698 0 40 HKAB COc1cccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 408625972 JWSPDERXRFOFOI-UHFFFAOYSA-N 422.333 5.398 0 40 HKAB COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1 408628867 FJSJOIRLTCKMMY-AWEZNQCLSA-N 403.320 5.089 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(Cl)cc2)c1 408693829 FPARVGJHWSWTBJ-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2ccc(C)cc2)cc1 408694352 JJJDKBMVIRCZRW-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB Cc1ccc(NC(=S)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 408979430 QOCRNIVKJSHTQP-UHFFFAOYSA-N 424.533 5.737 0 40 HKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1C 409109008 ZMAWEODRMDHARI-UHFFFAOYSA-N 419.981 6.421 0 40 HKAB CCc1ccc(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 409116600 OEOIVALZPODZJX-UHFFFAOYSA-N 404.312 6.886 0 40 HKAB COC1(COc2ccc(Cl)c(Cl)c2)CCN(C2CCC(C)(C)CC2)CC1 585281517 KVGKHPHTHTUCAJ-UHFFFAOYSA-N 400.390 5.822 0 40 HKAB O=C(c1ccc(Cl)cc1Cl)[C@@H](c1cccnc1)[C@@H](O)C(Cl)(Cl)Cl 644736 RWHQUPKWBYNIJM-TZMCWYRMSA-N 413.515 5.086 0 40 HKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1nc2ccc(Cl)cc2s1 724738 JGKIUPLDZUJJDY-UHFFFAOYSA-N 400.931 6.015 0 40 HKAB Cc1ccc(NC2=C(CC(=O)O)[C@H](c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 842079 VCMHRZWYIXKDQZ-VWLOTQADSA-N 412.489 5.232 0 40 HKAB Cc1ccc2cc(CN(Cc3ccco3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1C 931839 DNALJMGDAHTTBC-UHFFFAOYSA-N 417.534 5.137 0 40 HKAB Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(F)cc2)N2CCCCC2)c1C 935767 IPUMJBKOPIFZHC-NRFANRHFSA-N 412.530 5.925 0 40 HKAB O=C1C(Cl)=C(Nc2cccc(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1Cl 938222 JOICVZOUUIXXJS-UHFFFAOYSA-N 416.091 5.078 0 40 HKAB O=C(CSc1nc(Cc2ccccc2)nc2ccccc12)Nc1ccc(F)cc1 1342650 KYQSPTRKWMECJA-UHFFFAOYSA-N 403.482 5.091 0 40 HKAB Cc1ccccc1C(=O)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O 1346809 IQNSSPMQQCNZEU-UHFFFAOYSA-N 410.517 5.030 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(C(C)(C)C)cc1 1746507 BUKZVFIIWLFAKB-UHFFFAOYSA-N 407.535 6.142 0 40 HKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C(C)C)OC3 1771790 HFXZLIWJKALGNQ-QGZVFWFLSA-N 414.596 5.437 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)Nc3sc(C)c(C)c3C(=O)OC(C)C)sc2c1 2084861 RGDSCNUKOIHMKA-UHFFFAOYSA-N 421.971 6.359 0 40 HKAB COc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c12 2366197 AIZDVGUUBPBVTJ-UHFFFAOYSA-N 421.547 5.406 0 40 HKAB CSc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2403257 HKBCORALGAGZQR-NRFANRHFSA-N 417.486 5.162 0 40 HKAB CC(C)N(c1ccccc1)c1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1 2582408 HTLYEAXMQHGEBA-UHFFFAOYSA-N 403.551 5.289 0 40 HKAB COc1ccc2c(Cl)c(-c3nnc(SCCc4ccccc4)n3C)sc2c1 2696143 FLPVWIDSEYYAFP-UHFFFAOYSA-N 415.971 5.694 0 40 HKAB CCCN(C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1)c1ccc(C(C)C)cc1 2722963 AKQXOKMYBFAEOC-UHFFFAOYSA-N 419.550 5.398 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(-c2ccccc2Cl)nc2ccccc12 2740771 ZWLYVSSJNIVYPJ-UHFFFAOYSA-N 411.263 6.600 0 40 HKAB Cn1c2ccccc2c2cc([C@@H]3Nc4ccccc4C(=O)N3c3ccc(F)cc3)ccc21 2785081 QHEAUFICIDBPIE-AREMUKBSSA-N 421.475 6.242 0 40 HKAB O=C(COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)Nc1ccccc1 3230160 KKAZJHZXAXDKTE-UHFFFAOYSA-N 411.910 5.428 0 40 HKAB aggregator CCN(C(=O)c1cc(-c2cccs2)nc2ccccc12)c1cccc2ccccc12 3234026 HURAURHEOWXRPF-UHFFFAOYSA-N 408.526 6.783 0 40 HKAB CCCc1ccc(-c2ccc(-c3noc(-c4ccc(Br)cc4)n3)cc2)cc1 3584846 DKHMFBDRZVMIOG-UHFFFAOYSA-N 419.322 6.786 0 40 HKAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc2ccccc2c1 4015931 MYDDZXCNLUMKFM-CVQXOBEKSA-N 401.465 5.236 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(C(=O)NC3CCCCC3)C3CCCCC3)cc2c1 4133380 KAHKSVYJHQMLKH-UHFFFAOYSA-N 409.574 5.268 0 40 HKAB C[C@@H](Cc1ccccc1)NCCCCCCCCCCN[C@H](C)Cc1ccccc1 4534955 SGNZVNKYVQTCPF-WMPKNSHKSA-N 408.674 6.549 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(Nc4cc(C)cc(C)c4)ncnc32)cc1 4658136 LJSGCLFFMNDNFZ-UHFFFAOYSA-N 420.516 6.457 0 40 HKAB COc1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2Cc2ccccc2)cc1 4860683 ZFPUALIKCZYFGQ-LJAQVGFWSA-N 418.540 6.714 0 40 HKAB Clc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N3CCCC3)n2)cc1 4941996 YSUMONDXYIRCIL-UHFFFAOYSA-N 401.301 5.266 0 40 HKAB Cc1ccc(-c2c3c(nc4sc(C(=O)Nc5nccs5)c(N)c24)CCC3)cc1 4995399 RMNNGZZASAVREW-UHFFFAOYSA-N 406.536 5.051 0 40 HKAB COc1ccc(OCCOC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 5808855 RPLWGCFDPAUBJG-UHFFFAOYSA-N 405.475 5.208 0 40 HKAB CCCCCOc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3[C@@H](C)CCC)cc1 5932633 WPSBKVYQGQAQNI-MGPUTAFESA-N 417.575 5.531 0 40 HKAB Cc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)s1 6650560 JJZMJOSCJCSROZ-NZUILWFCSA-N 404.605 5.012 0 40 HKAB COc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c2C)cc1 6961785 JACIFOMAKRCZJI-NLRVBDNBSA-N 420.512 6.322 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@@H]1c1nc2ccccc2s1 8072219 LBPQAEVIEMFMHM-HSZRJFAPSA-N 412.558 6.182 0 40 HKAB CCc1ccc(N2C(=O)/C(=C\c3ccccc3C(F)(F)F)C(C(=O)OC)=C2C)cc1 8085670 NCYHFWZPQDFXIB-AQTBWJFISA-N 415.411 5.145 0 40 HKAB COc1ccc(Cc2nnc(SCC(=O)c3ccc(-c4ccccc4)cc3)o2)cc1 8231147 RGOIADZYOMGAEE-UHFFFAOYSA-N 416.502 5.311 0 40 HKAB Cc1cc(CSc2nnc(COc3c(C)cccc3C)n2-c2ccccc2)on1 8528924 QJUFXONWQQERPG-UHFFFAOYSA-N 406.511 5.052 0 40 HKAB CCC(=O)N1c2ccccc2[C@@H](N(C(=O)Cc2cccs2)c2ccccc2)C[C@@H]1C 8570012 XOWFNNZQWHRYMI-MBSDFSHPSA-N 418.562 5.600 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)c1 8590616 ZXONSZNBFHUADD-UHFFFAOYSA-N 420.490 5.241 0 40 HKAB O=c1[nH]c2cc(Cl)ccc2c(-c2ccccc2)c1Sc1nc2ccccc2[nH]1 8721375 DEQYCXMTIAVTEN-UHFFFAOYSA-N 403.894 5.876 0 40 HKAB Oc1cc(OCc2c(Cl)cccc2Cl)ccc1-c1n[nH]cc1-c1ccccc1 8739645 BAEQJORNLQKLCJ-UHFFFAOYSA-N 411.288 6.335 0 40 HKAB Cc1csc(N(C(=O)COc2ccc(F)cc2Br)c2ccccc2)n1 8983076 QHAMWEVJSXEXEH-UHFFFAOYSA-N 421.291 5.097 0 40 HKAB O=c1oc2ccccc2c2c1[C@H](c1ccc3c(c1)OCO3)c1c(ccc3ccccc13)N2 10059062 CFWMUAXIAASHPY-HSZRJFAPSA-N 419.436 5.912 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1Cl 11916658 HQKOSSXEIZNAHC-HNNXBMFYSA-N 414.958 5.432 0 40 HKAB Cc1ccc2nc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)sc2c1 12863825 VSNWQFJAAQHXKA-UHFFFAOYSA-N 420.391 5.201 0 40 HKAB O=C(CN[C@@H](c1ccc(F)cc1)c1cccs1)Nc1cccc(Cl)c1Cl 12908992 RIJHLKQSVQWDGT-IBGZPJMESA-N 409.313 5.512 0 40 HKAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1cc(Cl)ccc1F 12928176 GFJVKHAAQBKDQZ-OAQYLSRUSA-N 400.906 5.127 0 40 HKAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 14154099 XJHXXSJBGFFJJK-XNTDXEJSSA-N 420.534 5.065 0 40 HKAB O=C(CSCc1c(F)cccc1Cl)Nc1ccc(OCc2ccccc2)cc1 14155879 YNBRGVPWGNVHBT-UHFFFAOYSA-N 415.917 5.930 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)/C=C/c2cccs2)c1C 14405577 FZPHKVCQORRSPV-OUKQBFOZSA-N 422.554 5.266 0 40 HKAB COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)cc1 14704698 IBBWWAJXDFXDJF-UHFFFAOYSA-N 402.519 5.054 0 40 HKAB c1ccc(-c2nc3nc(-c4ccccc4)c(-c4ccccc4)n3nc2-c2ccccc2)cc1 15218677 YDWJRKLTCQTYIH-UHFFFAOYSA-N 424.507 6.792 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccco3)N3CCC(C)CC3)sc2c1 15860069 KPRDTUQNUOGVJL-KRWDZBQOSA-N 416.974 5.659 0 40 HKAB O=C(Nc1ccc(CN2CCCC2)cc1)c1cccc2c(Br)cccc12 17088183 BAECVCWSMIIFSH-UHFFFAOYSA-N 409.327 5.450 0 40 HKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)C(c1ccccc1)c1ccccc1 17092374 HJWBDKQFZAYWPM-UHFFFAOYSA-N 420.537 6.734 0 40 HKAB O=C(/C=C\c1ccccc1)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12 17178093 HTXBXAZZLWRBBT-YPKPFQOOSA-N 400.409 5.476 0 40 HKAB COc1ccc(-n2nc(Nc3ccc(C)cc3Cl)c3c2CC(C)(C)CC3=O)cc1 20797038 GTNNVGLDRMIDIY-UHFFFAOYSA-N 409.917 5.741 0 40 HKAB CCc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)cc1 20797261 XCLIVAKJTCWTSC-XMMPIXPASA-N 408.505 5.526 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCCCC4)c(F)c3)o2)cc1Cl 21576325 ARNPZWUXPHLNGJ-UHFFFAOYSA-N 412.892 6.290 0 40 HKAB S=c1[nH]nc(-c2ccccc2)n1NCc1ccccc1OCc1ccccc1Cl 22109969 NEPKZDPZVCNNAE-UHFFFAOYSA-N 422.941 5.584 0 40 HKAB COc1ccc(-c2c(C)nn3c(Nc4cc(C)cc(C)c4)cc(C)nc23)cc1OC 27585413 VLFYYEYZYXGPIK-UHFFFAOYSA-N 402.498 5.391 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)N(Cc3cccs3)c3ccc(Cl)cc3)oc2c1 27993415 RDPFRGYDVUYMIP-UHFFFAOYSA-N 409.938 6.920 0 40 HKAB Cc1cccc(COc2ccc(C(=S)N3CCN(Cc4ccccc4)CC3)cc2)c1 33675996 GDSAKIHKMAMKFM-UHFFFAOYSA-N 416.590 5.067 0 40 HKAB CCOc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 38834340 XJTNQZVXYHRWJE-MRXNPFEDSA-N 407.341 5.243 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)cc1C 49005135 WXQBYRWURXOGJT-SFHVURJKSA-N 418.541 5.404 0 40 HKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)NC1CCCCC1 57577518 DCLTVTSJIYDYRG-UHFFFAOYSA-N 411.958 5.491 0 40 HKAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc(Cl)cc3cccnc23)cc1Cl 59748533 BIGAKRFAJBREOP-UHFFFAOYSA-N 416.308 5.276 0 40 HKAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)c(OC)c1 67296902 OBIZDQWRFSIWIU-RFBIWTDZSA-N 414.461 5.243 0 40 HKAB C(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)[C@H]1CCC[C@H]1N2c1ccccc1 91296960 KHSAHMCGJDNDEG-POURPWNDSA-N 413.564 8.063 0 40 HKAB CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 102413394 DWSPFYJFRYMHKT-YZVOILCLSA-N 417.427 6.047 0 40 HKAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccc(O)cc2)C[C@H](c2ccc(Cl)cc2)C1 102739292 RUIWBTOVXBTOHA-ORAYPTAESA-N 408.845 5.058 0 40 HKAB Clc1ccc(-c2cs/c(=N/c3ccccc3)n2Cc2ccco2)c(Cl)c1 103517798 YVNOWAPCUVCGEL-BSYVCWPDSA-N 401.318 6.397 0 40 HKAB C[C@@]12CC3CC(CC(=O)Nc4ccc5[nH]c(C(F)(F)F)nc5c4)(C1)C[C@@](C)(C3)C2 103520489 DYFRVEYNBAYUKF-JDUUVYRRSA-N 405.464 5.907 0 40 HKAB CC(C)Oc1cccc(NC(=O)COc2ccc(C(C)C)cc2Br)c1 218872518 HSAVHEDLVYDDJY-UHFFFAOYSA-N 406.320 5.377 0 40 HKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 222981478 DFQWRJXYXCPCND-LEWJYISDSA-N 411.958 5.768 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)COc2ccc(Br)cc2)cc1C(C)C 223327515 MLTJMQFXNCMFKP-OAHLLOKOSA-N 420.347 5.146 0 40 HKAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223346930 LRDFGCDAHWPAIN-RUZDIDTESA-N 418.581 5.419 0 40 HKAB Cc1cc(C)c([C@@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1C 223400171 RNISULFCLQILGI-HSJQUHBMSA-N 403.953 6.683 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)c1 224228365 RSMGZBNYYVQWCX-XZOQPEGZSA-N 402.567 5.320 0 40 HKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 224449323 INSCMYCGFHYJNY-FGZHOGPDSA-N 406.530 5.314 0 40 HKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)c1 224523980 WMFVEWWSEZEHAH-GOTSBHOMSA-N 418.566 5.021 0 40 HKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CC2)c1C 224559274 GTLXBVRJSWPICG-XZOQPEGZSA-N 418.566 5.021 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccccc1C(C)C 224564249 SSSWLWMLRCUJQH-UHFFFAOYSA-N 417.549 6.657 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1cccc(OC)c1 224590492 QKAFDWBUJMYGOM-UHFFFAOYSA-N 419.477 5.128 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2F)cc1COc1cc(C)cc(C)c1C 224608793 LDCNEVKNBHKDMB-UHFFFAOYSA-N 407.485 5.981 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc3c4c(cccc24)CC3)c1 225202512 KHGLRIFRKAYWQU-JLPGSUDCSA-N 422.484 5.249 0 40 HKAB COc1cccc(Oc2ccc(Cl)cc2NC(=S)Nc2ccc(F)cc2)c1 225460557 XLGRPRSZBDLMBP-UHFFFAOYSA-N 402.878 6.089 0 40 HKAB C[C@@H](O)c1ccc(C2(CNC(=O)c3ccc(-c4ccsc4)cc3)CCCC2)s1 225682962 VIACHLPIMLZKEX-MRXNPFEDSA-N 411.592 5.772 0 40 HKAB CCOC(=O)c1cccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)c1 225863514 YACOYWLLFWXGLJ-UHFFFAOYSA-N 410.583 5.404 0 40 HKAB CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 253611325 YCOLBMWLTJDGRP-UELFGNJUSA-N 416.348 6.467 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC(=O)[C@@]4(O)CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 253617109 GVAODFIKHWYQPE-NIPGGWMXSA-N 416.646 5.971 0 40 HKAB Cc1ncc(-c2ccncc2C)c([C@H]2CC[C@H](CNC(=O)c3csc(C)c3)CC2)n1 257339999 ZECDKCPQPRVZDS-WGSAOQKQSA-N 420.582 5.229 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21 408616025 FDIMKEDTMZEICP-UHFFFAOYSA-N 404.469 6.966 0 40 HKAB CC(C)COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 408628843 DGVWWUSGJPFYAJ-UHFFFAOYSA-N 400.950 5.863 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(C)c(C)c2)cc1 408698180 LUBJNXWMZBDWNV-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCOC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 408908680 XTFITIQPTMNDQJ-CAPFRKAQSA-N 405.881 5.696 0 40 HKAB Cc1cc(C)cc(CSCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 409028816 TZLXUXFNBDKNDC-UHFFFAOYSA-N 410.583 5.238 0 40 HKAB Cc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 409094890 GMGROGRNOQPYNS-UHFFFAOYSA-N 405.954 6.231 0 40 HKAB Cc1ccc(S(=O)(=O)Oc2ccccc2CNc2cc(Cl)ccc2C)cc1 409109847 MRAOHBMBMJEIQW-UHFFFAOYSA-N 401.915 5.337 0 40 HKAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)c4ccc(Cl)cc4)C3=O)c[nH]c12 409138934 KCJGVCFTERYZGB-GRSHGNNSSA-N 424.909 5.303 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccccc1OCc1ccccc1F 409377786 KTKXFXYVHOUTME-OAQYLSRUSA-N 424.497 5.173 0 40 HKAB C[C@@H](CCCC(C)(C)O)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1529050278 BQMSKLCEWBSPPY-GIKLNCGQSA-N 418.662 5.474 0 40 HKAB COc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1cccc2ccccc12 659562 SWCIRTYZOJAZOU-UHFFFAOYSA-N 405.519 5.229 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc1OC 849048 JOXUVDPJRXOXOJ-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB COc1cccc2c(SCC(=O)Nc3ccc(C)cc3)nc(-c3ccccc3)nc12 877915 DMXBNJHLIOOVEH-UHFFFAOYSA-N 415.518 5.345 0 40 HKAB O=C(O)CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 1064510 IIQDAYIWPCEPHY-HSZRJFAPSA-N 418.880 5.269 0 40 HKAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1cc(Cl)ccc1Cl 1439798 NWVMDWPDRORLBF-UHFFFAOYSA-N 411.339 5.319 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CC[C@@H](C(C)(C)C)C2 1921940 RVXMMWMYZHIGOY-CQSZACIVSA-N 403.519 5.467 0 40 HKAB Cc1ccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1C 2124879 RXDRNWYPEZKDFW-UHFFFAOYSA-N 411.501 5.666 0 40 HKAB biogenic CCOc1ccc([C@@H](CCc2ccccc2)NC(=O)c2ccccc2)cc1OCC 2127257 OTICRUNCUWDNIY-HSZRJFAPSA-N 403.522 5.588 0 40 HKAB Cc1ccc([C@@H](Nc2ccccc2)[P@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 2371713 TXCZOZZUBXYZQI-SETSBSEESA-N 422.509 6.200 0 40 HKAB FC(F)(F)c1cc(SCc2cc(Cl)sc2Cl)cc(C(F)(F)F)c1 2574908 GYWIHBDBNZRSRX-UHFFFAOYSA-N 411.219 7.385 0 40 HKAB Cc1ccc(Cl)c(NC(=O)CSc2nc(-c3ccccc3)cs2)c1Cl 2642292 RMTJSONTGNIDBW-UHFFFAOYSA-N 409.363 6.156 0 40 HKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 2669170 OTVXPUXINSQXAG-INIZCTEOSA-N 412.986 6.328 0 40 HKAB O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccccc1Cl 3041635 FGKRLDGPWGWRFC-UHFFFAOYSA-N 407.684 5.109 0 40 HKAB aggregator CC(=O)Nc1cc(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 3765746 LQEHAEIBMAVNQA-UHFFFAOYSA-N 412.877 5.414 0 40 HKAB CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 3982454 KZJWDPNRJALLNS-ZGFRWYMBSA-N 414.718 8.025 0 40 HKAB biogenic Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1-c1ccc(C(C)(C)C)cc1 4053375 UDCGBPGMWBDBPO-UHFFFAOYSA-N 400.349 6.341 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 4683310 XANNAGNXGOOWOX-XWEDIQBQSA-N 415.750 8.038 0 40 HKAB c1ccc([C@H]2C3=C(CCCC3)N3c4cccc5cccc(c45)N[C@@]34CCCC[C@H]24)cc1 4729376 ZHJYKRIIBOWYNF-OVTKCHPXSA-N 406.573 7.584 0 40 HKAB Clc1cccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)c1 4733711 VVZIVSLFEDSOIB-UHFFFAOYSA-N 412.276 5.823 0 40 HKAB Cc1ccc(-c2onc3ccc(-c4cc(C(=O)O)c5cc(Cl)ccc5n4)cc23)cc1 5014241 OBINEKASHSVJJI-UHFFFAOYSA-N 414.848 6.370 0 40 HKAB O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1ccccc1Cl 5112028 CLGOUCHYZYQFRY-UHFFFAOYSA-N 410.951 6.494 0 40 HKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)c(C)c1 5235891 MIJYMXXLBRTSSU-QHCPKHFHSA-N 423.560 5.839 0 40 HKAB COc1ccc(-c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)c3ccccc3n2)cc1OC 5528301 JINFMNIJBGLYFR-IAGOWNOFSA-N 404.510 5.037 0 40 HKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 6044493 VIUVTAXKKKKSAF-UHFFFAOYSA-N 418.537 5.558 0 40 HKAB O=C(OCc1cccc2ccccc12)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 6082979 IGIPQSYPBXUYMC-NHCUHLMSSA-N 401.531 6.467 0 40 HKAB Cc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)ccc1Cl 6142873 SICONOSZVPKVEI-UHFFFAOYSA-N 424.913 5.136 0 40 HKAB CC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)[C@H](C)c1cccs1 6173533 BXEUCOHZDIOKBI-QFZRFWILSA-N 413.627 6.129 0 40 HKAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)C(c1ccccc1)c1ccccc1 6278106 ZWZIZDWFMPNWDF-UHFFFAOYSA-N 422.532 5.442 0 40 HKAB Cc1ccc(-c2ccc([C@H]3N=C(O)c4c(sc5c4CC[C@H](C)C5)N3)o2)cc1Cl 6449853 OWTFUNOLIXMXBY-YBTHPKLGSA-N 412.942 6.524 0 40 HKAB COc1ccc(-c2cc(C)nc3c(-c4ccccc4)c(COc4ccccc4)nn23)cc1 6721165 BUIAGHDRNDUQHQ-UHFFFAOYSA-N 421.500 5.959 0 40 HKAB Clc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4)cc2-3)OCO5)cc1 6738184 JCUBUPHLGVQSAY-UHFFFAOYSA-N 413.864 5.634 0 40 HKAB CCOc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1OCC 6964165 BNJIOBUEJRTCHH-XDHOZWIPSA-N 416.930 5.337 0 40 HKAB COc1ccc(CNCc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 7538440 KBFOTZJPHQXELA-UHFFFAOYSA-N 415.892 5.365 0 40 HKAB O=C1CC2(CCCC2)C(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 8075917 HOHCFWVUMPXCBO-UHFFFAOYSA-N 419.912 5.012 0 40 HKAB Cc1c(N)c(Br)cc(Br)c1-c1nc2cc(C(C)C)ccc2o1 8702117 QNNYSIUEADJAGG-UHFFFAOYSA-N 424.136 6.034 0 40 HKAB COc1ccccc1Oc1c(C)n[nH]c1-c1ccc(OCc2ccc(C)cc2)cc1O 8743897 UIRCXNKDEJNYBT-UHFFFAOYSA-N 416.477 5.779 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc(Cl)ccc1OC 8919424 UHWYOZOZSQBJFO-UHFFFAOYSA-N 424.909 5.886 0 40 HKAB Cc1cc(O[C@H](C)C(=O)N(Cc2ccco2)Cc2ccccc2F)ccc1Cl 9205046 TXUMWULXDVRZBR-MRXNPFEDSA-N 401.865 5.377 0 40 HKAB Cc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cc(C)ccc2C)c1 9374794 KLBTVNPBZQRHCN-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB Cc1ccc(-c2csc3nc(CSCc4ccc5c(c4)OCO5)[nH]c(=O)c23)cc1 9544437 JHKWLLFODXMZOR-UHFFFAOYSA-N 422.531 5.122 0 40 HKAB O=C(c1ccc(Br)cc1)N(Cc1ccco1)Cc1c(F)cccc1Cl 9764289 OEWWPOGFTNUOHO-UHFFFAOYSA-N 422.681 5.677 0 40 HKAB COc1ccc(C(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1F 9767624 MGHUQYPNNAACSG-UHFFFAOYSA-N 422.456 5.559 0 40 HKAB O=C(c1ccccc1SCc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 10113899 QCSLTWOBORSVNS-UHFFFAOYSA-N 422.981 5.595 0 40 HKAB COc1ccc(SCCC(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc1 10219551 UNIMHCJPUNSXJM-UHFFFAOYSA-N 415.565 5.344 0 40 HKAB CCC(=O)Nc1cccc(/N=c2\ssc3c2-c2ccc(C)cc2NC3(C)C)c1 12436583 TWQOYDVDHMTZPY-FLFQWRMESA-N 409.580 6.027 0 40 HKAB COc1cccc(/N=c2\oc3ccccc3cc2-c2nc(-c3ccccc3)cs2)c1 12602063 FPVBOGKSOVIFDS-LCUIJRPUSA-N 410.498 6.464 0 40 HKAB CC1=C[C@@H](C)[C@]2(COC(=O)Nc3ccccc3)CO[C@H](CCc3ccccc3)[C@H]1[C@H]2C 12657359 XELGSXZQIKSUPR-UHMYVYBESA-N 419.565 6.101 0 40 HKAB biogenic C/N=c1\scc(-c2ccc(Br)cc2)n1/N=C/c1cc(C)ccc1C 12661211 PYBJJAMDOYAQAJ-YQGQAXFOSA-N 400.345 5.009 0 40 HKAB C[C@H](NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(F)cc1F 12783194 VNOHMAVCUYVTSD-KRWDZBQOSA-N 417.459 5.368 0 40 HKAB C[C@H]1C/C(=C\c2c(F)c(F)c(F)c(F)c2F)c2nc3ccccc3c(C(=O)O)c2C1 13527606 ZUUUWBUKJWBVGX-WKMLFNHBSA-N 419.349 5.751 0 40 HKAB Cc1nn(-c2nc(-c3ccc(Br)cc3)cs2)c2nc3ccccc3nc12 16266506 UKNARMGASZCFMN-UHFFFAOYSA-N 422.311 5.163 0 40 HKAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 16806360 ZSWWEVSRKWXTNN-SFHVURJKSA-N 402.277 5.445 0 40 HKAB Cc1cccc(Cn2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)c1 17090179 HKXUGIVLQXQORD-UHFFFAOYSA-N 414.980 7.461 0 40 HKAB COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1ccccc1F 19326121 HSGGWPUXWVTNLQ-UHFFFAOYSA-N 420.528 5.250 0 40 HKAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc2c(Br)cccc12 20139089 VSZYHRWHIQRZKV-UHFFFAOYSA-N 422.278 5.607 0 40 HKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(F)cc2C(=O)Cc2ccccc2)cc1 20436333 ITQMXGXCUAJCPH-IBGZPJMESA-N 417.524 6.192 0 40 HKAB O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1cccc(Cl)c1Cl 24979939 LKJUWGXNHHPMTC-UHFFFAOYSA-N 421.324 5.105 0 40 HKAB O=C(Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21)Nc1cccc(Cl)c1 27694308 BFGQGMCARNFBMZ-UHFFFAOYSA-N 410.304 5.573 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 30864535 IQXNQOMANKEFAV-IBGZPJMESA-N 415.533 5.930 0 40 HKAB COc1ccc(-c2nc(CS[C@H](C)C(=O)Nc3c(C)cccc3C)cs2)cc1 31413612 XAMRQZKVTWOQAJ-MRXNPFEDSA-N 412.580 5.696 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCCCC2)cc1 32623489 QCXLMNXGXCWJCZ-HXUWFJFHSA-N 409.555 5.059 0 40 HKAB Cc1ccc(NC(=O)c2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1C 33623403 RPLRZGNPCWQXAH-UHFFFAOYSA-N 407.477 5.489 0 40 HKAB COc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Br 36425389 ASDSXNWCTZUAQM-YVLHZVERSA-N 418.312 5.003 0 40 HKAB CC(C)Oc1ccc(CNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 38756765 LIZZIFMAAQYKFX-UHFFFAOYSA-N 409.913 5.636 0 40 HKAB C[C@@]12CC3CC(NC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)(C1)C[C@](C)(C3)C2 41107595 GPKWBQCBRYOCSB-LSFYCGQFSA-N 418.364 6.732 0 40 HKAB C[C@@H](Sc1ncccc1C(F)(F)F)c1ccnn1C(=O)c1ccc(Cl)cc1 43804419 DSEKWZZCKYIREV-LLVKDONJSA-N 411.836 5.492 0 40 HKAB CCOc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1 46078581 RSFDRYWIJSFNLB-UHFFFAOYSA-N 414.505 5.239 0 40 HKAB Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2CCc2ccccc2)c1 67259295 MUWTWZPERBKQTQ-UHFFFAOYSA-N 400.547 5.548 0 40 HKAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)Cc4ccc(Cl)cc4)c(C)c3s2)n1 72228566 PRWNSHGYDBKTRE-UHFFFAOYSA-N 424.957 5.550 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 89942379 KLZKCFIHUFQZBQ-SFHVURJKSA-N 414.571 5.017 0 40 HKAB COc1cccc2cc(C(=O)NCc3sc(-c4ccccc4Cl)nc3C)oc12 90593168 PNXWXKBLIDWUCK-UHFFFAOYSA-N 412.898 5.457 0 40 HKAB Cc1cc(-c2c(C)nn(-c3nc(-c4ccccc4)cs3)c2O)n(-c2ccccc2)n1 100334531 OIRLBCUEDFJAEH-UHFFFAOYSA-N 413.506 5.171 0 40 HKAB O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@H]2C=C[C@H]1C2 100519906 UBCQNAYMIJJLRK-OYUDYFSCSA-N 401.293 5.009 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1cc(C)cc(C)c1C 224277398 XHDMGYIIZSUDIF-UHFFFAOYSA-N 423.940 6.414 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)CSCc2ccccc2Cl)c2ccccc2O1 224478221 YSRIADNFBPUYMX-LJQANCHMSA-N 403.975 5.772 0 40 HKAB Cc1cccc(CNC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 225427797 BVFKERQBXUKHOH-UHFFFAOYSA-N 416.590 6.010 0 40 HKAB Cc1cc(NC(=O)C2(c3ccccc3Cl)CCOCC2)ccc1OC1CCCC1 225578264 ONZLDOOGHWLXNQ-UHFFFAOYSA-N 413.945 5.657 0 40 HKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc(C)c1OC(C)C 225581000 FPJREOFYIFRRIL-UHFFFAOYSA-N 401.934 5.431 0 40 HKAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225689548 JLMBQBYIZMTGKO-DEOSSOPVSA-N 404.595 5.111 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NC3(C4CC4)CCCC3)c2)cc1 225865932 NXKDOCLKICTSNK-UHFFFAOYSA-N 420.622 6.224 0 40 HKAB CCC(C(=O)Nc1ccc(OC(C)C)c2ccccc12)(c1ccccc1)c1ccccc1 225935284 YSEJNQKUBAAMNI-UHFFFAOYSA-N 423.556 6.962 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C(F)(F)F 225955114 CGVFIOZJHHLOIA-UHFFFAOYSA-N 419.487 6.581 0 40 HKAB COc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 227147740 LEVHAUKDLIWJDZ-UHFFFAOYSA-N 411.672 5.750 0 40 HKAB CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccc(NC(C)=O)cc1 254836928 VYEGHGGBZOKLCH-UHFFFAOYSA-N 406.338 5.734 0 40 HKAB COc1cccc(C(=S)N2CCCCC2)c1OCc1ccc(Br)cc1 408574211 KZZHZQLNOBWTFI-UHFFFAOYSA-N 420.372 5.198 0 40 HKAB Cc1cc(Br)ccc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 408623286 SCKAWEAVCWQBBT-UHFFFAOYSA-N 408.654 6.062 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2cc(C)ccc2C)c1 408693690 BXGBCRSSZASZMA-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Clc1ccc(NC(NC2CCCCC2)=C(c2ccccc2)c2ccccc2)cc1 408822731 UUKAOYXLLZENGA-UHFFFAOYSA-N 402.969 7.091 0 40 HKAB Cc1ccc(NCc2ccc(OCc3cccc4ccccc34)c(Cl)c2)c(C)c1 409119684 QJDRSIHYGQEMQO-UHFFFAOYSA-N 401.937 7.301 0 40 HKAB Cc1cc2oc(-c3cc4c(cc3C)C(C)(C)[C@@H](C)C4(C)C)c(CC(=O)O)c2c(O)n1 604403973 GSAOJVUWSSPFNJ-CQSZACIVSA-N 407.510 5.649 0 40 HKAB biogenic C[C@H](N[C@H]1CCCc2nc(-c3ccccc3F)sc21)c1ccc2nc(O)[nH]c2c1 675880183 YQUYCYCEMDJTQW-SJCJKPOMSA-N 408.502 5.259 0 40 HKAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccccc1C(F)(F)F 722733 RZUXSIDXSYVQKC-LIKPIUCQSA-N 419.402 5.102 0 40 HKAB Cc1ccc(-c2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)n2C)cc1 898471 WDEDJDWBCVHQDL-UHFFFAOYSA-N 414.534 5.248 0 40 HKAB COc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc1 911503 MSRVWNZTJKPDQI-UHFFFAOYSA-N 408.841 5.174 0 40 HKAB Cc1cccc(OCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1 934375 YEZATRGHKQEMAL-UHFFFAOYSA-N 406.429 5.079 0 40 HKAB CC(C)c1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 956571 KMYIWNNZEXQXNT-UHFFFAOYSA-N 421.497 5.026 0 40 HKAB Cn1c(S(=O)(=O)Cc2ccccc2Cl)nc(-c2ccccc2)c1-c1ccccc1 1388801 XHOUWLDHABFEAG-UHFFFAOYSA-N 422.937 5.381 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(Cl)c(Cl)c1 1865717 STJOKQJBQFUHPN-UHFFFAOYSA-N 417.258 6.255 0 40 HKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Oc3ccc(Br)cc3)c2c1 2079367 AZLZOKJPHZJNLV-UHFFFAOYSA-N 418.290 6.192 0 40 HKAB c1ccc(-c2nc3sc4c(NC[C@H]5CCCO5)ncnc4c3c3c2CCCC3)cc1 2299362 CAHCKVXOLBAQHU-MRXNPFEDSA-N 416.550 5.376 0 40 HKAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(F)cc1)N1C(=N2)C(O)=Nc2ccccc21 2325573 CXBWDQMFMLGLGU-JOCHJYFZSA-N 423.451 5.561 0 40 HKAB CCc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 2624603 MAGPQASVTDXSCZ-UHFFFAOYSA-N 403.507 5.124 0 40 HKAB CCc1ccc2nc(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)sc2c1 2635327 VJLFOYFCYSUHAA-UHFFFAOYSA-N 416.424 6.390 0 40 HKAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1ccccc1Cl 2758442 BCROFMKMHIIDGP-UHFFFAOYSA-N 419.861 5.012 0 40 HKAB COC(=O)c1c(NC(=O)c2sc3cccc(Cl)c3c2Cl)sc(C)c1C 2769957 WPHAJUGCKMGASG-UHFFFAOYSA-N 414.335 5.925 0 40 HKAB Clc1ccc(-c2nc3ccc(Cl)cc3n2OCc2cccc(Cl)c2)cc1 3063578 PZQBLYDFLXJKLL-UHFFFAOYSA-N 403.696 6.292 0 40 HKAB Cc1ccc(C(=O)C[C@@H](Nc2ccc(F)cc2)c2ccc(Br)cc2)cc1 3067985 ZRHMDNZMOQXHDS-OAQYLSRUSA-N 412.302 6.323 0 40 HKAB CCOc1ccc(Nc2nc(-c3ccc(I)cc3)cs2)cc1 3082734 BWZHDAICUKFXQF-UHFFFAOYSA-N 422.291 5.557 0 40 HKAB CCOc1cc(C(=O)Nc2ccccc2Cc2ccccc2)cc(OCC)c1OCC 3279872 XOMMIAIDJFOOCN-UHFFFAOYSA-N 419.521 5.726 0 40 HKAB Cc1c(C(=O)OCC(=O)c2ccc(Cl)cc2)oc2ccc(Br)cc12 3285696 OSNBQZYSQBTSEJ-UHFFFAOYSA-N 407.647 5.197 0 40 HKAB CCCCCCOc1ccc(/C=C2/N=C(c3cc(C)cc(C)c3)OC2=O)cc1OC 3316521 XOEXOCRYJABPOB-RCCKNPSSSA-N 407.510 5.616 0 40 HKAB C[C@H](OC(=O)/C=C/c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C(C)(C)C)cc1 3358563 LSUZRYXCPDIPOF-CYIWUNGXSA-N 405.321 6.119 0 40 HKAB Cc1cc(C(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)c(C)n1C 3431902 WFLDBRMKAYYMFE-UHFFFAOYSA-N 424.016 5.414 0 40 HKAB CC[C@H](c1nnc(S[C@@H](C)C(=O)c2ccc(C)cc2)n1Cc1ccccc1)N(C)C 3552230 FKLCIHAIQIMVTK-GHTZIAJQSA-N 422.598 5.011 0 40 HKAB Cc1c(NC(=O)COc2ccc(C(C)(C)C)cc2)cccc1-c1nc2ccccc2o1 3770794 JLLOMPKNJZEZGE-UHFFFAOYSA-N 414.505 6.118 0 40 HKAB C[C@@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccc(F)cc4)c4ccccc43)c2C1 4148300 KAURCOYOBCMAII-CQSZACIVSA-N 409.482 5.651 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(c3nc(-c4ccc(Cl)cc4)c(C)s3)C(=O)[C@@H]21 4178795 ZXAOMJKVEMPICG-YJEJQGFLSA-N 412.942 5.254 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(SC)cc2)N3)C1 4554583 QQEAZETWLICNIJ-KUHUBIRLSA-N 400.613 6.440 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 4657276 BKGHHJSDHVFNRT-HIFRSBDPSA-N 410.783 5.042 0 40 HKAB CC(C)CC(C)(C)COP(OCC(C)(C)CC(C)C)OCC(C)(C)CC(C)C 4758258 NGMDCRGEQRMHJB-UHFFFAOYSA-N 418.643 8.480 0 40 HKAB CCc1cc2c(C)cc(C)cc2nc1SCC(=O)Nc1cc(OC)ccc1OC 4849454 FMZKIGNSJDXVFT-UHFFFAOYSA-N 410.539 5.162 0 40 HKAB Cn1c(NC(=O)Cc2ccccc2)c(-c2cccc3ccccc23)c(=O)c2ccccc21 5353574 WTLWKPPWFRUDBM-UHFFFAOYSA-N 418.496 5.540 0 40 HKAB O=c1cc(-c2ccccc2)c2cc3c(-c4ccccc4)c(-c4ccccc4)oc3cc2o1 5543831 PVQZVGBYJXBGRH-UHFFFAOYSA-N 414.460 7.540 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)c1cc2cc(Br)ccc2oc1=O 5860707 JYXGBALIZBKJPC-LBPRGKRZSA-N 400.272 5.321 0 40 HKAB COc1ccc(CC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 6208566 LPIRMLOEFABNTL-OAQYLSRUSA-N 418.924 5.321 0 40 HKAB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/C(C)=C/c1ccco1 6323671 NYHZVWVECZNMMH-AYCHGHPVSA-N 414.303 5.032 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc4ccccc34)cs2)c(C)c1 6826477 VFMDLJOIRVNTBK-UHFFFAOYSA-N 417.559 5.707 0 40 HKAB Cc1nnc2c(NC[C@H](C)c3ccccc3)nc3ccc(C(=O)c4ccccc4)cc3n12 6901736 JRLPFSPBGKBZBD-KRWDZBQOSA-N 421.504 5.033 0 40 HKAB C[C@@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)NCc1cccs1 7298649 XYGLBRVRGSNNIB-CYBMUJFWSA-N 411.577 5.217 0 40 HKAB COc1cc(CNCCc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 8471292 KQUFRCKQWHOZNB-UHFFFAOYSA-N 416.348 5.913 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1c1ccc(F)cc1 8756013 SAHBJYAJCMNCPO-QGZVFWFLSA-N 419.887 5.398 0 40 HKAB CCOc1ccccc1Oc1c(-c2ccc(OCc3ccccc3)cc2O)n[nH]c1C 8973360 NLGYCYQWIGXYLX-UHFFFAOYSA-N 416.477 5.861 0 40 HKAB O=C(Nc1nc(-c2cccnc2)cs1)c1cc(-c2cccs2)nc2ccccc12 9434262 CGTOROXHAHIDMY-UHFFFAOYSA-N 414.515 5.734 0 40 HKAB CCCc1ccc(-c2csc(NC(=O)c3ccc(NC(=O)C4CC4)s3)n2)cc1 9514708 SMVCUGGUQBHOOQ-UHFFFAOYSA-N 411.552 5.425 0 40 HKAB O=C(CSc1ncccn1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 9612409 IXZNXXQRBOXASV-QHCPKHFHSA-N 424.529 5.100 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(SCc2cccnc2)s1 9708762 JBEHLAPZTNXZFR-UHFFFAOYSA-N 412.327 5.176 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc4[nH]c(C)c(C)c4c3)n2)c1 9728998 IIHVLOJMFYNVFI-UHFFFAOYSA-N 407.495 5.178 0 40 HKAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2c(C)cccc2C)cc1 11866450 NLLHFVXLKKXRAF-UHFFFAOYSA-N 401.462 5.986 0 40 HKAB biogenic CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nnc(NCc2ccccc2)s1 12656270 LDFARCFUSMTUHX-NXHRZFHOSA-N 419.616 5.246 0 40 HKAB C[C@@H](SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1ccc(F)cc1F 12951824 BBGDZURQRTYFBD-LLVKDONJSA-N 408.857 5.534 0 40 HKAB O=C(COc1cc(Cl)ccc1Cl)N1CCC(c2nc3ccccc3s2)CC1 12995363 VILMKSSFBGPGCH-UHFFFAOYSA-N 421.349 5.388 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cc(Br)c(N)c(Br)c3)nc2c1 16610578 XRFVJSLWTLUOMP-VIFPVBQESA-N 424.136 6.116 0 40 HKAB O=C(/C=C/c1ccco1)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 17090220 BUWHYFZVWXGVFR-BQYQJAHWSA-N 415.301 6.515 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1C 21146936 BUJOFVRLAHXVEY-UHFFFAOYSA-N 404.491 5.541 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C 23184919 MAPRNBCYGONLAT-UHFFFAOYSA-N 405.523 6.252 0 40 HKAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 24888156 RAAJHRXAWILVFV-UHFFFAOYSA-N 406.445 5.651 0 40 HKAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1ccc(Cl)cc1Cl 32070232 IBBQFSXUTJKVAL-UHFFFAOYSA-N 414.248 5.458 0 40 HKAB C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1nc(C(C)(C)C)no1 32908877 GHLVLODNWUPMFU-OAHLLOKOSA-N 417.538 5.739 0 40 HKAB CCOc1ccc(-c2ccc(SCc3nc(-c4ccccc4C)no3)nn2)cc1 33262483 VBVKAUVOGJCJHR-UHFFFAOYSA-N 404.495 5.193 0 40 HKAB C[C@H](OCCCNC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1ccccc1 36397114 MOCIGAJJUKBTTC-JBACZVJFSA-N 420.578 5.630 0 40 HKAB CC(C)n1c(CN2CCCCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21 65322269 RQDVDWJQRJUERZ-UHFFFAOYSA-N 410.949 5.509 0 40 HKAB CCc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1 67261449 NJOGRDQIIUSIQZ-UHFFFAOYSA-N 413.912 5.772 0 40 HKAB O=C(NC1CCCCC1)c1cnc(-c2noc3cc(-c4ccccc4)ccc23)s1 96154521 WVANFPKCDOPJEJ-UHFFFAOYSA-N 403.507 5.681 0 40 HKAB C[C@@H]1C[C@@H]2CC[C@]1(NC(=O)CCCCC(=O)N[C@@H]1C[C@@H]3CC[C@]1(C)C3(C)C)C2(C)C 100497594 ISINGHVAECMBPX-IYXXSDPZSA-N 416.650 5.209 0 40 HKAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)C=C[C@@H](c4ccccc4)[C@@H]3C2=O)c1 100771324 ZRLFIXJRKNCCHY-QYOOZWMWSA-N 421.496 5.132 0 40 HKAB CC(C)c1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)cc1 101092454 MRAPEHVXWILEBE-FXAWDEMLSA-N 417.372 5.507 0 40 HKAB O=C1C[C@@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)c(Cl)c1 101277195 PSQZNRDCVMLTNU-CQSZACIVSA-N 404.080 5.044 0 40 HKAB CC(C)n1ncc2c(C3CCN(C(=O)c4cccs4)CC3)cc(C(F)(F)F)nc21 105779216 WTJMJZSYDPBJBC-UHFFFAOYSA-N 422.476 5.112 0 40 HKAB COc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3ccc(C)o3)C[C@@H]21 105975459 CVCMWUXOYVCAHG-CVDCTZTESA-N 406.507 5.561 0 40 HKAB CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(CCOc2ccc(C)cc2)C1=O 106781113 LLQJHJJVNCYXOW-UYRXBGFRSA-N 417.914 5.162 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)N(C)N=O)C1 122612696 OSEUSDPKNGVSLT-KFMBLKMQSA-N 404.595 5.579 0 40 HKAB Cn1cccc1CN(Cc1cccs1)C(=O)CCc1ccccc1Br 207974089 NDZHJSSUKFSMDM-UHFFFAOYSA-N 417.372 5.011 0 40 HKAB CC[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(C)c(C)c1 218947210 YJYSYLBRZKWZOZ-KRWDZBQOSA-N 410.739 5.366 0 40 HKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 222568200 SNVCIPQZHOHZEE-SFHVURJKSA-N 420.553 5.034 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)NCCSCc1ccccc1Cl 222683394 MFRDZTQIVYMSOD-UHFFFAOYSA-N 414.423 5.915 0 40 HKAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1cc(C)cc(C)c1 224530088 VFMQVOGNOOJITO-UHFFFAOYSA-N 403.522 5.254 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)CCc2c(Cl)cccc2Cl)c2ccccc2O1 225342398 HIVQWHFITRFOCC-LJQANCHMSA-N 406.353 6.125 0 40 HKAB Cc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@H](C)[C@H]4C)ccc32)c1-c1ccc(Cl)cc1 253563487 FMEXSMHYIDVGJE-BXTJHSDWSA-N 420.944 5.670 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(F)cc2)cc1C 408700193 ZIZULLDHIAFVGR-UHFFFAOYSA-N 404.420 5.082 0 40 HKAB CCCc1sc(NC(=O)c2ccc(OC)cc2)nc1-c1ccc(Cl)c(Cl)c1 408836934 XBMONPWEMRADFM-UHFFFAOYSA-N 421.349 6.330 0 40 HKAB CCc1ccccc1NCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 409115137 IOXVABMBMVMUIZ-UHFFFAOYSA-N 416.348 6.756 0 40 HKAB CCC(=O)Nc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 409184663 YYDHNSRJNOGVIS-HSZRJFAPSA-N 421.880 5.470 0 40 HKAB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OC(F)F 409364256 WURDGKLSTQFUSN-OVCLIPMQSA-N 411.813 5.191 0 40 HKAB CCCc1ccc(OCc2nc(C(C)C)c(-c3cccc(Cl)c3)cc2C(=O)O)cc1 585265670 XJARPXMPPFYZNH-UHFFFAOYSA-N 423.940 6.755 0 40 HKAB O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccc2c3c(cccc13)CC2 848910 UFQXMDXWCVRDFQ-UHFFFAOYSA-N 424.891 5.578 0 40 HKAB Cc1ccccc1-c1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)n1C 877836 OQZRUXVMEUHIAD-UHFFFAOYSA-N 414.534 5.248 0 40 HKAB CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1cc(C(=O)O)ccc1C 952242 GKHAEVQCPIBHDS-UHFFFAOYSA-N 419.264 5.469 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c(C)c1 1105221 NKHLHBTYNABFPA-UHFFFAOYSA-N 419.481 5.378 0 40 HKAB COc1ccc(OCc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1 1470591 UZXHYXHPABVGQA-UHFFFAOYSA-N 413.304 5.979 0 40 HKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)c1ccccc1Br 2195239 MNDAESVQBRFJCW-UHFFFAOYSA-N 419.369 5.308 0 40 HKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(Br)c2)cc1 2240658 YKEAAVGWXLUEEU-UHFFFAOYSA-N 415.294 5.707 0 40 HKAB CCc1ccccc1NC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 2281177 LUBSLCSJXAPFFX-GOSISDBHSA-N 413.348 6.137 0 40 HKAB Cc1ccc(-c2c3c(nc4sc(C(=O)Nc5ccccc5C)c(N)c24)CCCC3)o1 2297884 REQXOBXSEGWEBJ-UHFFFAOYSA-N 417.534 5.886 0 40 HKAB COc1ccc(-c2cc(=O)oc3c(C)c(OCc4ccc(F)cc4Cl)ccc23)cc1 2351930 ZMFRLCJGLMITIR-UHFFFAOYSA-N 424.855 6.149 0 40 HKAB CSc1ccc(Cl)c(C(=O)Nc2ccc(I)cc2C)c1 2663637 FMASBTIMSZMJOQ-UHFFFAOYSA-N 417.699 5.227 0 40 HKAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1 2756334 LIDVQYCHCRZHEI-UHFFFAOYSA-N 423.896 5.737 0 40 HKAB Cc1ccc(Cl)c(NC(=O)COC(=O)Cc2c(Cl)cccc2Cl)c1Cl 3231754 WVECXYFEDRCWEO-UHFFFAOYSA-N 421.107 5.333 0 40 HKAB COc1ccc(-c2nnc(SCc3cc(C(C)=O)ccc3OC)n2C(C)C)cc1 3429910 JDXVHIIKDUAEAE-UHFFFAOYSA-N 411.527 5.038 0 40 HKAB O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCC(Cc2ccccc2)CC1 3615911 HRVNEOSRFIZHIQ-UHFFFAOYSA-N 424.588 5.340 0 40 HKAB CCCCCCOP(=O)(NS(=O)(=O)c1ccc(C)cc1)OCCCCCC 4530650 SCCUNDWDKDKWCT-UHFFFAOYSA-N 419.524 5.575 0 40 HKAB Cc1cccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)c1 4548972 KOWXRLUYLHFTPV-UHFFFAOYSA-N 408.910 5.943 0 40 HKAB O=Cc1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 4618815 MEEOHZQAVGYDLN-UHFFFAOYSA-N 404.485 5.257 0 40 HKAB CCCc1sc(NC(=O)c2ccccc2C)nc1-c1ccc(Cl)c(Cl)c1 4699377 HMTIEPCZBWCCCX-UHFFFAOYSA-N 405.350 6.630 0 40 HKAB CCCC[C@@H](NC(=O)CCCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 4897501 FCPHROGZZVICEK-HSZRJFAPSA-N 420.553 5.281 0 40 HKAB Cc1cccc(C)c1OCCCn1c([C@@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 4910908 ZMHSVIRDUDCMOP-HXUWFJFHSA-N 419.569 5.237 0 40 HKAB CC(C)CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2ccccc2c1=O 5036690 UIYPBFUQSALSHF-UHFFFAOYSA-N 423.582 5.297 0 40 HKAB O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(Oc2ccccc2)cc1 5111816 MNGYWBUQXOKZOJ-UHFFFAOYSA-N 400.522 5.372 0 40 HKAB CCOc1ccc(-n2nc3ccc(NC(=O)c4cccc5ccccc45)cc3n2)cc1 5171516 GYZRDDLXXUQUHG-UHFFFAOYSA-N 408.461 5.225 0 40 HKAB Clc1ccc(-c2cc(-c3cc(-c4ccc(Cl)cc4Cl)n[nH]3)[nH]n2)c(Cl)c1 5479222 FGKYLIQXCWQBTD-UHFFFAOYSA-N 424.118 6.747 0 40 HKAB Clc1ccc(-c2cc(-c3cc(-c4ccc(Cl)c(Cl)c4)n[nH]3)[nH]n2)cc1Cl 5479247 WUSJYQVNNXDNAB-UHFFFAOYSA-N 424.118 6.747 0 40 HKAB Cc1ccc(NC(=O)CC2(C(=O)OCc3cccc4ccccc34)CCCC2)cc1 5938013 AVBPGYUYADMSFB-UHFFFAOYSA-N 401.506 5.781 0 40 HKAB C[C@H]1CCCN(C(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)C1 6561298 LWHRLGZLLMSMSZ-FQEVSTJZSA-N 406.529 6.441 0 40 HKAB C[C@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)N(C)Cc1cccs1 7664194 LJEKPYDLOYDGHE-MRXNPFEDSA-N 421.591 5.408 0 40 HKAB CCc1n[nH]c(=S)n1NCc1c(OCc2ccc(F)cc2)ccc2ccccc12 8338983 MAEZVJFSJCSUAJ-UHFFFAOYSA-N 408.502 5.118 0 40 HKAB Cc1[nH]c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc1Cc1ccccc1 9869062 DGSMZMKGKAVOIP-ZDUSSCGKSA-N 420.365 5.735 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3ccc(C)o3)C[C@@H]21 12196289 PYHRESQXTDAVMZ-GBXCKJPGSA-N 420.534 5.951 0 40 HKAB Cc1ccc(N2C(=O)/C(=C\Nc3cccc(Cl)c3C)c3ccccc3C2=O)cc1C 12651854 FVTMRVLUXGDQQC-STZFKDTASA-N 416.908 5.905 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCCN1C(=O)c1cccs1 12854315 XBWJKXNBKIWGIS-AWEZNQCLSA-N 416.852 5.054 0 40 HKAB O=S(=O)(Nc1cccc(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 13041296 FLMJXJMZQOKHOW-UHFFFAOYSA-N 403.731 5.178 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(Oc3ccccc3)sc2Oc2ccccc2)cc1 13097521 ZOPWOKVOYCOISI-UHFFFAOYSA-N 423.515 5.869 0 40 HKAB Clc1c(-c2ccc(Br)cc2)noc1-c1ccc(Br)cc1 13640883 QFALJZXSKQIAJG-UHFFFAOYSA-N 413.496 6.187 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(OCc2ccccc2Cl)cc1 13687760 BGYOEMYNYFOPCA-UHFFFAOYSA-N 405.803 6.190 0 40 HKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)c(Cl)c1 13708576 RWUXTAKYJWGEIW-GFCCVEGCSA-N 404.691 5.662 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 14155677 DFYNIWCYCIRZNH-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB C/C(=C\c1ccccc1)[C@@H]1C(=O)N(c2cccc(C)c2C)CC(=O)N1c1ccc(C)cc1 15412334 ULMIPQCNKBEGRQ-PCLGYLGWSA-N 424.544 5.464 0 40 HKAB Cc1cccc(C)c1OCC(=O)N(C)[C@@H](c1cccs1)c1c[nH]c2ccccc12 15835581 BQBHJTQEZAADSQ-HSZRJFAPSA-N 404.535 5.473 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccc(C)o3)N3CCCC3)sc2c1 15860458 ZSPQHKMRAFFGLZ-INIZCTEOSA-N 402.947 5.331 0 40 HKAB Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)nc1-c1ccc(Cl)cc1Cl 17088781 LUZPWWQCBNURSF-VXGBXAGGSA-N 411.310 5.031 0 40 HKAB Cc1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1 17092620 GITLRZVKOJOGTN-UHFFFAOYSA-N 421.327 7.078 0 40 HKAB CCCOc1ccc(-c2nc(Nc3cccc(C(=O)OC)c3)c3ccccc3n2)cc1 17180133 QRBIIUVLOKUDEA-UHFFFAOYSA-N 413.477 5.616 0 40 HKAB O=C(CSCc1cccc(Br)c1)Nc1ccccc1Br 22700839 ZNDNGXYVPBKUMI-UHFFFAOYSA-N 415.150 5.084 0 40 HKAB Cc1ccc(NC(=O)[C@]2(c3ccc(C)cc3)Sc3cc(C)ccc3NC2=O)cc1 27526215 ZCTXNKOZHZXMDJ-DEOSSOPVSA-N 402.519 5.190 0 40 HKAB O=C(OCc1ccc(Cl)cc1Cl)c1ccc(COc2cccc(Cl)c2)o1 28562122 GRSIWZNBKYRGOO-UHFFFAOYSA-N 411.668 6.176 0 40 HKAB CCOC(=O)c1c(CSc2nnc(-c3ccc(F)cc3)o2)nc2ccccc2c1C 32911256 MJWXUXIOTHDUII-UHFFFAOYSA-N 423.469 5.201 0 40 HKAB CCCCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C)cc2)cc1 36352216 ODDDBQVTIUEZEP-BDYUSTAISA-N 412.533 6.416 0 40 HKAB COc1ccc([C@@H]2Sc3nnc(-c4cccs4)n3N2Cc2ccc(F)cc2)cc1 36617835 DIVZMTXRGFSOMF-FQEVSTJZSA-N 424.526 5.097 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1cc(NCc2ccc(Cl)cc2)ncn1 49006715 OIQPJAGZWBZTIF-UHFFFAOYSA-N 412.946 5.090 0 40 HKAB Cc1cccc(Oc2ncccc2NC(=O)c2ccc(-n3cc[nH]c3=S)cc2)c1C 58434063 PLVNOFGBQQHSGS-UHFFFAOYSA-N 416.506 5.591 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc2nc(SCc3ccc(F)cc3)sc2c1 59855264 UGTJKMSYKANVNG-UHFFFAOYSA-N 408.523 6.288 0 40 HKAB Cc1nc(C)c2c(C)c(C(=O)N(CCc3ccccc3)c3ccccc3)sc2n1 62580762 ZUWCEFKIYLJCSE-UHFFFAOYSA-N 401.535 5.506 0 40 HKAB Cc1cc(C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)c(C)n1CC(F)(F)F 65520930 TVEUAPGFWFCFTN-UHFFFAOYSA-N 419.422 5.217 0 40 HKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72215127 DHNDPOMODFQLRV-NQIIRXRSSA-N 423.557 5.599 0 40 HKAB Cn1ncc(C(=O)N[C@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)c1C(F)F 95458908 IYDXRFGVHSYONC-BBRMVZONSA-N 415.406 5.223 0 40 HKAB Brc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 101072009 CHAUUGRGHLDLMQ-FPOVZHCZSA-N 404.311 5.945 0 40 HKAB COC(=O)CN1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(OC)cc1 102644753 VZWAEBHPQYJDLC-DEOSSOPVSA-N 420.509 5.134 0 40 HKAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OC(F)F 106689450 ODUTUGKMCMWEIH-YVLHZVERSA-N 423.412 5.062 0 40 HKAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(OCc2ccccc2Cl)cc1 218991069 RGHUNHADONLNFX-GOSISDBHSA-N 409.913 5.425 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)N1CCS[C@@H](c2cccs2)CC1 219484001 QLRKBSFSVVNZKE-MRXNPFEDSA-N 402.368 5.141 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1OCC 222597978 AXQWQKCKXFWILY-RTBURBONSA-N 413.558 5.561 0 40 HKAB CCCC[C@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 223954354 GNXDDBNOWACRNK-INIZCTEOSA-N 422.978 5.087 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@H](C)c3ccc(F)cc3)o2)cc1 224914947 QYKIAWKJDYBPSC-MRXNPFEDSA-N 416.452 5.647 0 40 HKAB COC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)c1C 225510195 IJBDCUHGGXBFEH-JOCHJYFZSA-N 404.535 5.166 0 40 HKAB COc1ccc(CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225556535 GFZQVBYNFGJTRA-UHFFFAOYSA-N 422.619 5.907 0 40 HKAB Cc1ccccc1C1(NC(=S)Nc2ccc(Br)c(Cl)c2)CCCC1 225859683 ODTIMAFEODFZPM-UHFFFAOYSA-N 423.807 6.167 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 225862411 FTADUUZJFRJTKM-MIDMBNTASA-N 418.562 5.322 0 40 HKAB CC1(C)Oc2ccc(C(=O)O)cc2[C@H]2O[C@H](C3CC3)[C@H](c3cccc(Cl)c3)C[C@H]21 257203373 APSPHPLRXUSJKY-RGMHLJPOSA-N 412.913 5.849 0 40 HKAB O=C(O)c1cccc(NCc2cc(Br)ccc2OCc2ccccc2)c1 408613835 WGMQCGMRNJJTTJ-UHFFFAOYSA-N 412.283 5.338 0 40 HKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 408627946 OOXZCPSGKFWNSZ-UHFFFAOYSA-N 405.457 6.118 0 40 HKAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S1 408805033 CLIKTBAMQWWRAH-UHFFFAOYSA-N 401.939 5.409 0 40 HKAB CCOc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(F)c1 409111937 AMGADTUVYUUTLE-UHFFFAOYSA-N 413.920 6.686 0 40 HKAB CCOc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1cccc(Cl)c1 409116607 PTRGCTCPUAJSLA-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB CCCOc1ccc(C)cc1-c1ccc(C(=O)O)c(COc2cc(C)ccc2C)n1 585264991 AMDFLJMOGDHTDZ-UHFFFAOYSA-N 405.494 5.740 0 40 HKAB CC(C)(C)c1ccc(NC(=O)CCSc2nnc3ccc4ccccc4n23)cc1 630205 UPXHJTJTOHYVBV-UHFFFAOYSA-N 404.539 5.301 0 40 HKAB O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCc1ccc(Cl)cc1 704072 VPZHMIIZXUOVRW-UHFFFAOYSA-N 414.870 5.033 0 40 HKAB O=C(CSc1nnc(-c2cccs2)o1)N(Cc1ccccc1)c1ccccc1 928229 IZTAOQINIPWPHY-UHFFFAOYSA-N 407.520 5.124 0 40 HKAB N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2c(Cl)cccc2Cl)o1 1267706 SIJVSJKMHZXFAO-INIZCTEOSA-N 419.337 5.393 0 40 HKAB O=C(NCc1ccc(Cl)cc1)[C@H]1CCC(=O)N(C2CCCCC2)[C@@H]1c1ccccc1 1394539 XCHHNSJUGPUFLF-LADGPHEKSA-N 424.972 5.269 0 40 HKAB CCN(CC)CCN(C(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1 1865349 BDPLKKLOCYKGTN-UHFFFAOYSA-N 400.522 5.299 0 40 HKAB Cc1ccc2ccccc2c1COc1ccc2c(C)c(CCC(=O)O)c(=O)oc2c1 2152008 QNGUBXKJUIGLQH-UHFFFAOYSA-N 402.446 5.159 0 40 HKAB biogenic CCCCc1cc2c(cc1C)NC(C)(C)c1sn(-c3ccc(C)cc3)c(=S)c1-2 2180527 WKZAPDKKXVMURA-UHFFFAOYSA-N 408.636 7.555 0 40 HKAB CC[C@]1(C)Cc2ccccc2-c2nc(SC(C)C)n(CCc3ccccc3)c(=O)c21 2209879 WZYBEVXQAXQAFD-AREMUKBSSA-N 418.606 5.877 0 40 HKAB CC(C)(C)c1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(Cl)c2)cc1 2252932 ZCBOGYFZTKXACY-UHFFFAOYSA-N 412.924 6.587 0 40 HKAB O=C(O)c1c(-c2ccccc2)oc2ccc(OCc3c(Cl)cccc3Cl)cc12 2667131 ISDWRBUYCUGTOX-UHFFFAOYSA-N 413.256 6.684 0 40 HKAB biogenic CCCCOc1ccc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)cc1 2737135 HOVUQBFYLZUYHL-UHFFFAOYSA-N 420.900 5.505 0 40 HKAB O=C(Nc1ccc(Cl)cc1)OCc1cccnc1Sc1ccc(Cl)cc1 3105818 FNPQKDGUZWWSGD-UHFFFAOYSA-N 405.306 6.288 0 40 HKAB O=C(Nc1ccc(F)c(F)c1)c1sccc1OCc1c(Cl)cccc1Cl 3134816 HOCJIISFEFIKFE-UHFFFAOYSA-N 414.260 6.164 0 40 HKAB COc1ccccc1/C=C(/C(=O)OCC(=O)c1cc(C)ccc1C)c1ccccc1 3329965 VXLJYSLGWSHQGL-XQNSMLJCSA-N 400.474 5.279 0 40 HKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 4077620 IDORNFWYTNDEHH-UHFFFAOYSA-N 409.551 5.747 0 40 HKAB O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccccc1 4244455 AWXOYRSCEJTCDU-UHFFFAOYSA-N 403.482 5.108 0 40 HKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CC2CCCC2)cc1OC 4353966 QXHGWQFHTWOCKF-UHFFFAOYSA-N 422.481 5.221 0 40 HKAB CCc1ccc(C2(c3ccc(CC)cc3)C[C@H]2C(=O)Nc2ccc(Cl)cc2)cc1 4481894 DRRBPNLHRWIULV-DEOSSOPVSA-N 403.953 6.410 0 40 HKAB CCOc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)ccc1O 4553447 CGKQMGBBBJTPAJ-XOBRGWDASA-N 414.571 5.822 0 40 HKAB C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=S)NC(=O)c1ccccc1 4663716 JBEJXHLEFLPSMI-UTKZUKDTSA-N 401.535 5.153 0 40 HKAB CCCC[C@H](CC)CNC(=O)C[C@@H](C)CC(=O)N(c1ccccc1)c1ccccc1 4681417 OBRIRISTWSJIRV-YADHBBJMSA-N 408.586 6.100 0 40 HKAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccc(C)c2)n2c(nc3ccccc32)N1 4742050 ABBJJBHXBHIYKL-DEOSSOPVSA-N 408.505 5.581 0 40 HKAB COc1ccc2ccccc2c1[C@H]1N=C(O)c2c(sc3c2CC[C@H](C(C)(C)C)C3)N1 4783902 JZKPOVKCXXICMA-NYHFZMIOSA-N 420.578 6.490 0 40 HKAB O=C(CC1CCCCC1)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 5107091 JRVZLBMAKIBDMG-UHFFFAOYSA-N 420.465 5.323 0 40 HKAB CC(C)Oc1ccc(CNCC[C@@H](c2ccc(OC(C)C)cc2)C2CCCCC2)cc1 5307679 SOWMBDZUTKYBOB-MUUNZHRXSA-N 423.641 7.105 0 40 HKAB CC[C@@H](C)CCCNc1nnc(SCC(=O)C23CC4CC(CC(C4)C2)C3)s1 5560179 YESGTWFJQSUNAU-LFPRZYRFSA-N 407.649 5.654 0 40 HKAB COc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1Br 6281632 WFJMZTHUDWUTHN-UHFFFAOYSA-N 411.708 5.282 0 40 HKAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1-c1ccccc1 6383038 YKDNZHDAENAYOL-SANMLTNESA-N 417.512 5.944 0 40 HKAB COc1ccccc1-c1cncnc1-c1ccc(OCc2ccccc2Cl)cc1O 6719707 YPUSMTVMOPGCCS-UHFFFAOYSA-N 418.880 5.757 0 40 HKAB biogenic C[C@H]1CCc2sc(-c3nnc(SCCCC(=O)c4cccs4)o3)cc2C1 7129313 PXDBQGIHFZGMLF-LBPRGKRZSA-N 404.582 5.740 0 40 HKAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(Oc3ccccc3)c2)CC1 8133645 UWRCWAMYDCDNTB-UHFFFAOYSA-N 414.505 5.278 0 40 HKAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)N[C@@H](c1ccccc1)c1cccs1 8216101 DKWUBUJGTLVQTQ-IBGZPJMESA-N 413.955 5.276 0 40 HKAB C[C@H](NCc1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccccc1 8534226 OUXYHXJCLNYRGR-IBGZPJMESA-N 401.937 6.923 0 40 HKAB Clc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2-c2ccccc2)c1 8738190 WIEATZZKVNPARK-UHFFFAOYSA-N 406.916 7.731 0 40 HKAB COc1ccc(C(=O)Oc2ccc3c(C)c(-c4ccc(Cl)cc4)c(=O)oc3c2)cc1 8824066 MRLDOYKXFVOQRV-UHFFFAOYSA-N 420.848 5.650 0 40 HKAB biogenic O=C(O)Cc1c(-c2ccc3c(c2)OCCCO3)nc2ccccc2c1-c1ccccc1 9616773 GLALBRPANHXAEQ-UHFFFAOYSA-N 411.457 5.357 0 40 HKAB CCCOc1cccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 10120345 WYCDCJAIIUGINQ-UHFFFAOYSA-N 414.505 5.830 0 40 HKAB Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@H](c1ccco1)O2 10215553 VREJKRONEZOCFX-KSSFIOAISA-N 401.285 5.346 0 40 HKAB CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@@H]3c2cccnc2)cc1 10215728 FFLALKUTFDIZSL-RCZVLFRGSA-N 415.493 5.121 0 40 HKAB O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(CN2CCCC2)cc1 10337985 DUMOPQNAPNGZPC-UHFFFAOYSA-N 423.409 5.252 0 40 HKAB O=C(COc1cccc(Oc2ccccn2)c1)Nc1cccc(C2SCCS2)c1 12536876 OFNLBVGCIPBBJX-UHFFFAOYSA-N 424.547 5.370 0 40 HKAB C[C@H](Sc1ccc(Br)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 13072446 KFWRNGBSVONHPS-LBPRGKRZSA-N 419.369 5.692 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)Nc5ccc(Cl)c(Cl)c5)(C4)C2)C3)cc1 13302959 GPNIHGRGTASSFK-UPFYTXMWSA-N 414.376 6.779 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1CCc1ccccc1 13688279 NAQMDAKENYPRIG-UHFFFAOYSA-N 403.831 6.396 0 40 HKAB Fc1ccc(-c2nnc3sc(-c4ccccc4Br)nn23)cc1Cl 13726666 ZEDFMKOSJODOOD-UHFFFAOYSA-N 409.671 5.075 0 40 HKAB COc1ccc([C@H]2Nc3ccccc3C(c3ccc(C)cc3)(c3ccc(C)cc3)O2)cc1 16292148 XOUOAAVDDYHQJT-NDEPHWFRSA-N 421.540 6.745 0 40 HKAB c1ccc(C2=NO[C@]3(O2)SC(c2ccccc2)(c2ccccc2)c2ccccc23)cc1 16478085 JLWWHWKRXSSGHU-MHZLTWQESA-N 421.521 6.244 0 40 HKAB Cc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccccc2F)nc1 16741746 FTJAIPHETGDONX-JOCHJYFZSA-N 414.436 5.002 0 40 HKAB COc1ccc(-n2nc(Nc3ccc4ccccc4c3)c3c2CC(C)(C)CC3=O)cc1 19816989 ODOAUDSJBSMHDF-UHFFFAOYSA-N 411.505 5.933 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1 20038826 BYSROGKSLBVEDU-VWLOTQADSA-N 411.501 6.215 0 40 HKAB Clc1ccc(COc2ccc(Cl)cc2CNC2C3CC4CC(C3)CC2C4)cc1 22073901 GFMLEVNZCRBWIR-UHFFFAOYSA-N 416.392 6.487 0 40 HKAB C[C@H](c1nnc(-c2ccccc2)o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22786634 AEAQWYIHGFLSOS-OAQYLSRUSA-N 424.548 5.205 0 40 HKAB Oc1ccc([C@H]2NC[C@@H](c3ccc(Cl)cc3Cl)c3c2[nH]c2ccccc32)cc1 24204156 HEAUFHQJFJNIJJ-PGRDOPGGSA-N 409.316 6.005 0 40 HKAB COc1ccc(-c2cc(N[C@@H](C)C(=O)Nc3cc(C)ccc3C)ccc2OC)cc1 24833674 OWJNVYMFASOERJ-SFHVURJKSA-N 404.510 5.427 0 40 HKAB CC(C)(C)c1ccc([C@H]2NC[C@H](c3ccccc3Cl)c3c2[nH]c2ccccc32)cc1 25461401 UGXNYROYRGWPQA-PXDATVDWSA-N 414.980 6.943 0 40 HKAB Cc1c(-c2ccccc2)sc(/C=C/c2sc(-c3ccccc3)c(C)[n+]2C)[n+]1C 26919475 ZBOXQYCUNWEMHD-FOCLMDBBSA-N 404.604 5.580 0 40 HKAB COc1ccc(CN(C(=O)c2oc3cc(C)cc(C)c3c2C)c2ccccn2)cc1 27993419 NGMUXWLEWPMIBG-UHFFFAOYSA-N 400.478 5.609 0 40 HKAB Cc1nnc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)s1 28539356 LVOQUVRTBHCFKF-UHFFFAOYSA-N 423.501 5.376 0 40 HKAB Cc1ccc(CSCc2ccc(-c3nc(-c4ccc5c(c4)OCO5)no3)o2)cc1 33262368 MMTYGJTZAODSIJ-UHFFFAOYSA-N 406.463 5.467 0 40 HKAB O=C(COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1)Nc1ccccc1 33327309 KCBDKKNAHQGTBZ-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB C[C@@H]1S/C(=C/c2nc3ccccc3s2)N(CC(=O)c2ccc(Cl)cc2)C1=O 33467702 FEOXRUNUTNYMJP-NJDFMEINSA-N 414.939 5.095 0 40 HKAB CC(C)C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 34024963 IMTMMGXRAMGUDP-CDILPITASA-N 424.544 5.135 0 40 HKAB biogenic O=C1N/C(=N\c2ccc(F)c(Cl)c2)S/C1=C/c1cccc(Br)c1 35647533 KVUUQIOKFSSZEC-VGOFMYFVSA-N 411.683 5.133 0 40 HKAB CC[C@H](NC(=O)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F)c1ccccc1 36616262 MYXXCLYEDBCGMP-NRFANRHFSA-N 414.484 5.318 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1SCC(F)(F)F 36660958 WBZQRLBRAHAEOC-SFHVURJKSA-N 420.456 5.244 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1OCC 44902941 ZIHJHEMZQLCNHY-MBSDFSHPSA-N 421.537 5.672 0 40 HKAB Cc1cccc(CCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 44909711 WYCFBTBVZMNNFQ-UHFFFAOYSA-N 419.396 5.263 0 40 HKAB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1 48362443 DGTLJMKUAREVQN-QVKFZJNVSA-N 407.514 5.118 0 40 HKAB Cc1cccc(NC(=O)Nc2cccc(CNC(=O)C34CC5CC(CC(C5)C3)C4)c2)c1 59339183 HCFJJQVWNBGSGQ-UHFFFAOYSA-N 417.553 5.472 0 40 HKAB O=c1c2sccc2nc(SCc2ccccc2Cl)n1Cc1ccc(F)cc1 71327573 URLGEKDWSBADNI-UHFFFAOYSA-N 416.930 5.591 0 40 HKAB O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1nc2ccccc2s1 96119750 BOUIJKRULNWEQI-UHFFFAOYSA-N 418.503 5.251 0 40 HKAB CCc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Nc3ccc(C)cc3)c2c1 101165550 QWLJBCHIYFFNCR-UHFFFAOYSA-N 402.519 5.682 0 40 HKAB CC(=O)c1ccc(N/C=C2/C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)cc1 102996732 DBBQEHKVTFBDDR-XSFVSMFZSA-N 416.864 5.183 0 40 HKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 107040677 FEQNSOMVVZTROG-UHFFFAOYSA-N 416.348 6.810 0 40 HKAB Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)s2)c1 195530139 CDTDYTIROYTOCX-WBTNSWJXSA-N 404.605 5.012 0 40 HKAB CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)ccc1Cl 223030007 PZKYGJMTGJKYJP-GOSISDBHSA-N 410.297 5.275 0 40 HKAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F 223439835 AWMKJNXIPQBSMJ-UHFFFAOYSA-N 416.273 5.535 0 40 HKAB C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCc3ccc(-c4ccccc4)o3)cn2)C1 223911266 VTDVHSFIGHIGBQ-QZTJIDSGSA-N 420.582 5.311 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccccc1C(C)C 224229616 SLWXXAVAFBBYAX-UHFFFAOYSA-N 423.940 6.612 0 40 HKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 224270764 ZJODWTSKBXLCHQ-VWLOTQADSA-N 420.597 5.021 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1cc(C)cc(C)c1 224537591 QIHLMYKUXCXLKJ-UHFFFAOYSA-N 417.549 6.459 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccccc3Cl)o2)cc1 224906664 XUCWYEFSLYQGMO-UHFFFAOYSA-N 418.880 5.601 0 40 HKAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)c1cc(-c2ccc(Cl)cc2)on1 225898519 BLERZSXLZDDFQP-LLVKDONJSA-N 417.690 5.349 0 40 HKAB Cc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 226756124 NQPIFRWNRPRRHG-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)/C(=C/c1ccccc1Cl)c1ccccc1 408574598 ISGZRAUEZPLMSY-LKUDQCMESA-N 423.943 6.786 0 40 HKAB C[C@@H](NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12)c1ccccc1 408621559 ORGFWTHIQYBSPN-MRXNPFEDSA-N 402.881 5.320 0 40 HKAB Cc1ccc(S(=O)(=O)N=S=c2cc(-c3ccc(C(C)C)cc3)ss2)cc1 408729086 ALXRYKOVJIIOSF-UHFFFAOYSA-N 421.634 6.096 0 40 HKAB CCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 408970264 DWXAPBYJLUFEHL-UHFFFAOYSA-N 405.325 5.047 0 40 HKAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1C 409124169 JOQWDBKLXIWSIR-HAVVHWLPSA-N 416.546 5.763 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSCc1cccc(Cl)c1 409186145 XNHOUIXFJGCHEH-FNORWQNLSA-N 400.758 5.710 0 40 HKAB Cc1c(-c2nc3ccccc3s2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 409191672 ZZXUXQGCLSZCBY-UHFFFAOYSA-N 423.368 7.582 0 40 HKAB Fc1ccc(Cn2cc(C(=S)N3CCc4ccccc4C3)c3ccccc32)cc1 409196916 SCFZVRVUHINQNC-UHFFFAOYSA-N 400.522 5.563 0 40 HKAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2cc3c(s2)CCCC3)cc1 585091812 SVGSGSQSEIABQX-UHFFFAOYSA-N 405.519 5.168 0 40 HKAB O=C(Oc1ccccc1-c1ccccc1OC(=O)c1cccs1)c1cccs1 727025 XOEXCWOLZRJEEE-UHFFFAOYSA-N 406.484 5.915 0 40 HKAB COc1ccc(C(=O)c2cc(Cl)c(C(=O)c3ccc(OC)cc3)cc2Cl)cc1 821584 NKYPNTDRXQHPGK-UHFFFAOYSA-N 415.272 5.473 0 40 HKAB biogenic O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1cccc(Cl)c1 858853 ARIKKTZIAZDJQK-UHFFFAOYSA-N 420.925 5.319 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(Br)cc4)c3)oc2c1 864872 CGLSEJJZMXBVFY-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)NC3CCCCC3)c(=O)[nH]c12 880556 CERRXBXNNKADLK-UHFFFAOYSA-N 421.516 5.020 0 40 HKAB C[C@@H]1CCCC=C1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1cccnc1 1347672 MGMZECRYMHKNCF-JPYJTQIMSA-N 421.541 5.011 0 40 HKAB c1ccc([C@]2([C@@]3(c4ccccc4)Nc4ccccc4S3)Nc3ccccc3S2)cc1 1736556 QIIPXKDIYLWCQE-UIOOFZCWSA-N 424.594 7.128 0 40 HKAB CCCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)c1ccc(C)s1 2107987 AEUDYVKCBIIHFD-UHFFFAOYSA-N 413.564 6.221 0 40 HKAB COc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccccn2)cc1 2223750 NQWPAMHDHOJXDS-UHFFFAOYSA-N 424.529 5.783 0 40 HKAB Clc1ccc(Oc2nc(-c3ccc(Br)cc3)nc3ccccc23)cc1 2268726 BNUONCHVSZJZRV-UHFFFAOYSA-N 411.686 6.505 0 40 HKAB CC(C)(C)c1ccc(-c2nc3sc(-c4ccc(C(C)(C)C)cc4)nc3s2)cc1 2420590 YBSJBSYZUVQUIN-UHFFFAOYSA-N 406.620 7.682 0 40 HKAB COc1cccc(-c2nc(Oc3ccc(C(C)(C)C)cc3C)c3ccccc3n2)c1O 2437685 BOPDQKXIBSPQDO-UHFFFAOYSA-N 414.505 6.409 0 40 HKAB CCCc1ccc(-c2nc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5=C(C)C)[C@H]4C3=O)sc2C)cc1 2760720 AXVSKANOWZGUET-GHSBBIOCSA-N 420.578 5.553 0 40 HKAB COc1ccc(C(C)=O)cc1COC(=O)c1cc(-c2ccccc2)nc2ccccc12 3313948 VOXVXNXYWPPFHJ-UHFFFAOYSA-N 411.457 5.470 0 40 HKAB CCOc1ccccc1NC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 3317812 WDQXRTJDOYEUOY-UHFFFAOYSA-N 424.305 5.402 0 40 HKAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C(F)(F)F)cc1 3486762 VGNVNJVGUMPKHL-UHFFFAOYSA-N 407.310 5.002 0 40 HKAB O=C(NCc1cccnc1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 4030211 HSJXOMZEPTVVQC-BPTGPBLASA-N 409.533 5.308 0 40 HKAB O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cc(Cl)ccc1Cl 4063034 QGLDORZLODFUCI-UHFFFAOYSA-N 400.290 5.917 0 40 HKAB S=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 4088103 RNGRMDJQKGBOGT-LJQANCHMSA-N 402.350 5.597 0 40 HKAB C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc(F)cc1 4791048 PVPGJSBDRSIPMT-ZDUSSCGKSA-N 403.910 5.838 0 40 HKAB CC[C@@H](C)Sc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(C)cc1 4875227 SRDATKZFHDYREC-CQSZACIVSA-N 405.516 5.513 0 40 HKAB CCCCN(CCCC)CC(=O)Nc1oc2ccccc2c(=O)c1-c1ccc(F)cc1 5030903 XKYKKTDPUUKGSR-UHFFFAOYSA-N 424.516 5.440 0 40 HKAB Cc1ccc(C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)cc1 5745399 PBVHQQMSZXLLDR-JEHOKHLTSA-N 406.529 6.432 0 40 HKAB COc1ccc(Cc2nnc(SCC(=O)c3ccc(C4CCCCC4)cc3)o2)cc1 5788617 OEQOBISPFVFTGN-UHFFFAOYSA-N 422.550 5.692 0 40 HKAB CCOc1cc(C(=O)Nc2cc(Cl)ccc2N2CCCC2)ccc1OC(F)F 5898448 WCABOLQFFMZIQA-UHFFFAOYSA-N 410.848 5.193 0 40 HKAB CC(C)Oc1ccccc1/C=C(/C(=O)NCc1ccccc1)c1nc2ccccc2[nH]1 5902224 YZAZHPAIIRUZRB-LTGZKZEYSA-N 411.505 5.207 0 40 HKAB COc1cc(C)c(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1OC 6259081 VDWHURRVFSAAFZ-UHFFFAOYSA-N 413.477 5.117 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(C(C)C)cc4)ccc3o2)c(C)c1 6426240 UBARIFGCZQTISF-UHFFFAOYSA-N 414.505 6.253 0 40 HKAB CCOc1ccc(-c2cc(OC(=O)c3ccccc3C)cc3sc(=O)oc23)cc1 6809685 QOMXIWBMXQSISI-UHFFFAOYSA-N 406.459 5.448 0 40 HKAB CCc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 6860767 ZCRBFQNCWUOPAE-UHFFFAOYSA-N 421.327 7.023 0 40 HKAB C[C@@H](NCc1ccc(-c2ccc(Br)cc2)o1)C12CC3CC(CC(C3)C1)C2 7524880 BIKWCARCGXVWJS-LRYXAPPNSA-N 414.387 6.404 0 40 HKAB CC(=O)c1cc2c(cc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)OCO2 7986158 MUAFRCRDJPVDID-QFIPXVFZSA-N 405.475 5.090 0 40 HKAB Cc1nnc(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)n1C1CC1 8130586 XLCXMJIYJJDQHJ-UHFFFAOYSA-N 408.914 5.235 0 40 HKAB Cc1ccc(-c2noc(CCC(=O)Nc3cccc(-c4csc(C)n4)c3)n2)cc1 8313021 KPHZWRITBIHQMR-UHFFFAOYSA-N 404.495 5.048 0 40 HKAB Cc1ccccc1OCCSc1nc2ccc(NC(=O)c3ccco3)cc2s1 8673659 LKQKJOFJAVLLGJ-UHFFFAOYSA-N 410.520 5.621 0 40 HKAB Clc1cccc([C@H]2N(Cc3ccccc3)c3ccccc3-c3nc4ccccc4n32)c1 9462372 SPMYIAVIOWXRSD-MHZLTWQESA-N 421.931 6.924 0 40 HKAB COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(C)cc4)sc3n2)cc1OC 12250933 ZPGNOJYBGWEOMP-UHFFFAOYSA-N 404.491 5.102 0 40 HKAB O=C1C[C@H](c2ccccc2C(F)(F)F)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15107125 NQXCFQNWICODHT-CYBMUJFWSA-N 417.408 5.606 0 40 HKAB CCCn1c(C)cc(-c2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)c1C 15651872 QQABHEQPYSQCOG-UHFFFAOYSA-N 409.342 5.593 0 40 HKAB O=C(Nc1ncc(Cc2ccccc2F)s1)C1=Cc2cc(Cl)ccc2OC=C1 15838560 OQSAJRVECFSQQQ-UHFFFAOYSA-N 412.873 5.455 0 40 HKAB O[C@H](CNCc1cc(Cl)ccc1OCc1ccccc1Cl)c1ccccc1 16477437 ZOQGVUNIJPBTGE-OAQYLSRUSA-N 402.321 5.396 0 40 HKAB CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1 17089941 FONFPULVUZOSGG-UHFFFAOYSA-N 414.509 5.503 0 40 HKAB Cc1cc(OCC(=O)Nc2cc(C(C)(C)C)cc(Cl)c2Cl)cc(C)c1Cl 17090120 DCHILRBSJVQAPG-UHFFFAOYSA-N 414.760 6.579 0 40 HKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc2c(Cl)cccc12 17090166 KUTYRYGAGIMGAT-UHFFFAOYSA-N 414.917 7.022 0 40 HKAB CC(C)(C)[C@H]1C/C(=C\c2ccc(Cl)cc2)c2nc3ccccc3c(C(=O)O)c2C1 19229883 UGFOTXAVNSQNBM-MOKGIYGOSA-N 405.925 6.736 0 40 HKAB CN1CCN([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cccs2)CC1 19790440 NRFOCGXAYOMZMS-NRFANRHFSA-N 400.632 5.386 0 40 HKAB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N[C@H](C)c2ccccn2)cc1 24975959 XYTCMRPLBPFNEV-MRXNPFEDSA-N 417.484 5.188 0 40 HKAB CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)sc2c1 33000666 YDAZBHMPHRLERS-UHFFFAOYSA-N 419.959 5.419 0 40 HKAB CC[C@@H]1CCc2nn(-c3nc(-c4ccc(Cl)cc4)cs3)c(C(F)(F)F)c2C1 33436056 WPBYNJVXPGCEOR-LLVKDONJSA-N 411.880 6.183 0 40 HKAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N[C@@H](C)c3ccccc3)c12 36613239 HEXNZNJXFMSARW-KRWDZBQOSA-N 410.521 5.156 0 40 HKAB O=C(O)Cc1cccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c1 41127416 BQZNAQZQEFUIHN-UHFFFAOYSA-N 408.251 5.551 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 44903767 UANDALOXVGMUTA-MECCDNJOSA-N 415.002 5.068 0 40 HKAB CCOc1ccc(-n2c(SCc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 67259635 CFEGIJQJLNFXKL-UHFFFAOYSA-N 422.937 5.730 0 40 HKAB O=C1C[C@H](c2ccccc2)N(C(=O)CSc2ccccc2Cl)c2ccccc2N1 72307952 HGEYEIHUVLGGAC-HXUWFJFHSA-N 422.937 5.549 0 40 HKAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C12CCCC2 72401230 UDQFZDDNHXYBAZ-SBUREZEXSA-N 418.537 5.179 0 40 HKAB CCC[C@@H](NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1)c1ccc(F)cc1F 79102288 VZQORUVQPJFPSO-HXUWFJFHSA-N 414.452 5.219 0 40 HKAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc34)o2)CC1)C1CCCCC1 100219390 OTXVZPCPAXMMRJ-MSEWRSJXSA-N 418.541 5.255 0 40 HKAB Fc1ccc(NC(=S)N2CCCC3=C[C@@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1Cl 100762164 KPBTYULUNIFINO-IMAQQZIHSA-N 419.997 5.071 0 40 HKAB biogenic CCCC[Sn](CCCC)(CCCC)c1nccc(Cl)n1 196752633 LYCLDHXYCXTOCU-UHFFFAOYSA-N 403.586 5.186 0 40 HKAB CCOc1c(Cl)cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OC 222657489 GOIPQXABLJWGAM-NIKGAXFTSA-N 417.962 5.122 0 40 HKAB COc1ccc(OCc2cc(C(=O)Nc3cccc4ccccc34)ccc2OC)cc1 224264397 SPGACMQYHFAMAS-UHFFFAOYSA-N 413.473 5.688 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1cccc2ccccc12 224301211 MDJIGFDVQHRIAV-UHFFFAOYSA-N 417.892 6.333 0 40 HKAB COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccc2ccccc2c1 224319635 DYFQTKUPVGRWIY-UHFFFAOYSA-N 417.549 6.270 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c(C)c1 224380685 VVEYGQRKTODJGX-IQJJTXKVSA-N 418.562 5.322 0 40 HKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225623572 LXMSGLSANCIWIF-GBXCKJPGSA-N 404.595 5.254 0 40 HKAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225640968 XPCQWFPTWWUAGU-LBPRGKRZSA-N 402.869 5.421 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc(C(C)C)c(OC)cc2C)sc2c1CCCC2 225660009 DJALKPWFSBOUAT-UHFFFAOYSA-N 415.555 5.496 0 40 HKAB COc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)cc1Cl 225767894 AXCLGFCDJQUVLW-QFIPXVFZSA-N 410.970 6.041 0 40 HKAB O=S(=O)(c1ccc2c3c(cccc13)CC2)N(Cc1ccccc1)Cc1ccccc1 226862025 RWFZMIMIPINYHR-UHFFFAOYSA-N 413.542 5.330 0 40 HKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccccc1Cl)C[C@]2(C)NC(=O)Cc1ccccc1 257272656 NDIANKUMGAVXJE-VTBHLOPZSA-N 411.973 5.724 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408649302 XPRPFKNVLWBAHV-SECBINFHSA-N 418.107 5.292 0 40 HKAB O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1ccc(F)c(F)c1 408713096 KDTVCIJBWBRSMN-UHFFFAOYSA-N 400.450 5.058 0 40 HKAB CCCc1sc(NC(=O)c2ccccc2OC)nc1-c1ccc(OC)c(OC)c1 408830028 XYAWXJRKDKQXJL-UHFFFAOYSA-N 412.511 5.041 0 40 HKAB O=C(COc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1)Nc1ccccc1 409253150 WBWHZNICGDBKLG-UHFFFAOYSA-N 424.500 6.109 0 40 HKAB CC(C)=CCC[C@]1(C)Oc2c(-c3cccc(C(=O)O)c3)cccc2[C@@H]2O[C@H](C)CC[C@H]21 585265834 RMDWNJBMQSHBIW-BIIVWMMYSA-N 420.549 6.806 0 40 HKAB O=C(Oc1ccc(Cl)cc1Cl)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 991721 DGOZAKFSBJNNMB-UHFFFAOYSA-N 412.228 5.013 0 40 HKAB O=C1c2cccc3cc(Br)cc(c23)C(=O)N1c1cccc(Cl)c1Cl 997034 IFIRFHVJFBNEOR-UHFFFAOYSA-N 421.077 5.710 0 40 HKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)N1CCCCCC1 1367685 TYYRLSSHFWLPSL-UHFFFAOYSA-N 411.958 5.445 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1 1369101 PMQWLGQMTPXPQH-QZTJIDSGSA-N 423.504 5.474 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1cccc(Cl)c1 1509475 RYWXIDDNMMZVOF-UHFFFAOYSA-N 418.905 5.947 0 40 HKAB Cc1cccc(-c2nnc(SCc3ccc(F)cc3)n2-c2ccc(Cl)cc2)c1 2443053 ITGUOGAIROVMIJ-UHFFFAOYSA-N 409.917 6.328 0 40 HKAB C[C@@H](Sc1nncs1)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 2642863 PDDWKFIVJJYMCY-SSDOTTSWSA-N 417.368 5.088 0 40 HKAB Cc1ccc(C)c(Sc2ccc(NC(=O)c3cnc(Cl)c(Cl)c3)cc2)c1 2663702 YIJISTHEBRGAGE-UHFFFAOYSA-N 403.334 6.409 0 40 HKAB CCCn1c(SCc2ccc(Cl)cc2)nc(-c2ccccc2)c1-c1ccccc1 3135097 DVNQUBIQNCMQBM-UHFFFAOYSA-N 418.993 7.573 0 40 HKAB O=C(Nc1ccccc1Cl)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3167106 BVTGCLFDKSNBJB-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB CC(C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(C)C)cc3)s2)cc1 3168751 MJMAGRUQCOOXPS-UHFFFAOYSA-N 406.551 6.500 0 40 HKAB C[C@@H](OC(=O)c1cccc2ccccc12)C(=O)Nc1nc(-c2ccccc2)cs1 3247996 ZGWSHNGIZFNTMO-OAHLLOKOSA-N 402.475 5.147 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)CCc1nc2ccccc2s1 3291158 YGKYOQWFCLGCSY-UHFFFAOYSA-N 424.566 5.658 0 40 HKAB CCN1C(=O)c2cccc3c(NC(=O)c4ccc(Cc5ccccc5)cc4)ccc1c23 4075735 PQILLCNEJXGPEU-UHFFFAOYSA-N 406.485 5.663 0 40 HKAB Cc1ccc2nc(-c3ccccc3)nc(SCC(=O)N(C)C3CCCCC3)c2c1 4161687 FWCNKJLVDOPQNU-UHFFFAOYSA-N 405.567 5.488 0 40 HKAB Cc1ccc(C)c(C(=O)N(Cc2ccccn2)c2nc3c(F)cc(F)cc3s2)c1 5265261 KLWKVFHTOYHKOM-UHFFFAOYSA-N 409.461 5.433 0 40 HKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(Cl)cc1)c1ccc(F)cc1 5351447 FSCWZMBAWKPQPF-UHFFFAOYSA-N 409.869 5.973 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccccc1)[C@H](O)c1ccccc1F 5446736 TYKDNJRHRFRXDI-JREXKETJSA-N 404.462 5.898 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H](C)CCc1ccccc1 6254065 QOCKDDFQWFRULD-ZDUSSCGKSA-N 403.309 5.708 0 40 HKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc2ccccc2c1 6345434 TVTGEGBURSUMJB-CSKARUKUSA-N 408.284 7.059 0 40 HKAB Cc1cc(C(c2ccccc2)c2cc(C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 6825424 OBAVEFZNJPQRRC-UHFFFAOYSA-N 416.605 7.490 0 40 HKAB C[C@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)N(C)Cc1ccccc1 7220509 DYMKFTCAWNMOKR-SFHVURJKSA-N 415.562 5.346 0 40 HKAB Cc1ccc2c(c1)c(-c1ccccc1)nn2CCCCN1CCN(c2ccccc2)CC1 7498857 ZENPHNPMTCAFIG-UHFFFAOYSA-N 424.592 5.614 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccccc1Cl 7542547 GTZMNSHBFGCMSK-SFHVURJKSA-N 401.897 5.259 0 40 HKAB CCc1nc2sc3c(c2c2nnc(SCCc4ccccc4)n12)CC(C)(C)OC3 9076214 NPLMWUYCIVXNFQ-UHFFFAOYSA-N 424.595 5.088 0 40 HKAB Cc1ccc(Nc2nc(CSc3nnc(-c4ccncc4)n3C3CC3)cs2)cc1 12549331 DESIOKPXHBILGX-UHFFFAOYSA-N 420.567 5.476 0 40 HKAB O=C(Nc1ccccc1Cc1ccccc1)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 12637369 DQLSOAICGUUMDB-LHHMWQFHSA-N 424.382 5.950 0 40 HKAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)/C(=C/c1cccs1)c1cccs1 12700102 SSDHKEVYJFVIRK-XSFVSMFZSA-N 410.604 7.008 0 40 HKAB CC(C)c1ccc(C(=O)Nc2ccnn2Cc2cc(Br)cs2)cc1 12767152 JXUUXSQDANTBME-UHFFFAOYSA-N 404.333 5.131 0 40 HKAB O=c1[nH]c(CN2CCc3sccc3[C@@H]2C2CC2)nc2scc(-c3ccccc3)c12 12795168 GAQAIRUCYYFOLQ-NRFANRHFSA-N 419.575 5.223 0 40 HKAB O=C(Nc1ccc(C[S@@](=O)c2ccc(F)cc2)cc1)c1cccc(C(F)(F)F)c1 12956643 BUBXELWWKIBZBM-LJAQVGFWSA-N 421.415 5.405 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(NC(=O)[C@@H](C)Oc3ccccc3Cl)cc2)c1 14553191 ULXSRKMPTCESRX-MRXNPFEDSA-N 408.885 5.307 0 40 HKAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCc1c(C)cc(C(C)(C)C)cc1C)(C3)C2 15280531 MTADJCQORWSHLF-ADXLDGDMSA-N 411.586 5.119 0 40 HKAB O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O[C@H]1CCC=CCCC1 16137495 DTRBFLNFVGDWEK-QMMMGPOBSA-N 412.096 6.044 0 40 HKAB O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc2ccccc12 16526259 OEXIVFKDGDFRDL-UHFFFAOYSA-N 422.513 5.510 0 40 HKAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 20109056 HPLCHKKYQGUIGZ-HSZRJFAPSA-N 404.510 5.166 0 40 HKAB FC(F)(F)c1cccc(CNc2ncccc2-c2nc3cc(Cl)ccc3o2)c1 20405243 UUJNRWSKYQGRSS-UHFFFAOYSA-N 403.791 6.174 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1 20491470 MQACNSIEWQLTOA-CJFMBICVSA-N 408.586 5.444 0 40 HKAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1sc2ccccc2c1Cl 21000823 FJEXZHQOMUWPIN-UHFFFAOYSA-N 412.923 5.634 0 40 HKAB CCOc1ccccc1Nc1nnc(S[C@@H](C)c2nc(C(C)(C)C)no2)s1 24045027 GQWMVHLGZUHCEO-NSHDSACASA-N 405.549 5.214 0 40 HKAB COC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc(C)c1-c1ccc(F)cc1 28048205 POEGZWVSMWDDQV-UHFFFAOYSA-N 403.862 5.555 0 40 HKAB CCCCOc1ccc(NC(=O)c2oc3cc(C)cc(C)c3c2C)c2cccnc12 32623697 ZWUKXWGKCIOAIW-UHFFFAOYSA-N 402.494 6.337 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 33215788 FQQQOJNBZIHGEI-FQEVSTJZSA-N 403.482 5.028 0 40 HKAB COc1ccc(/C=C/c2cc(C(F)(F)F)n(-c3nc4ccccc4s3)n2)cc1 33679319 MOQXXRXFOWEOSO-RMKNXTFCSA-N 401.413 5.680 0 40 HKAB Cc1ccc(-c2noc(-c3c(NC(=O)c4ccc(F)cc4)sc(C)c3C)n2)cc1 35671267 GTPWFTLAHUIASA-UHFFFAOYSA-N 407.470 5.782 0 40 HKAB Cc1ccc(-c2nn(CN[C@H](c3cccs3)C(C)(C)C)c(=O)c3ccccc23)cc1 39563678 BVPMUXHMCOSOHO-HSZRJFAPSA-N 417.578 5.768 0 40 HKAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(-n2cc[nH]c2=S)cc1 40119809 IYLWYUSIUHMMMP-UHFFFAOYSA-N 417.519 5.163 0 40 HKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccccc2F)cc1 40485345 BMZCLOXYOHYAFE-JOCHJYFZSA-N 407.872 5.840 0 40 HKAB O=C1C(O)=C(c2ccccc2)[C@@H](c2cccc(Br)c2)N1Cc1ccco1 40485982 OAHJVOOBACRKQN-LJQANCHMSA-N 410.267 5.095 0 40 HKAB O=C(NCc1cccc(COCc2ccccc2)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 44524016 PMEXUECNIUSGJZ-NHCUHLMSSA-N 405.460 5.388 0 40 HKAB Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1C 44856362 YSJVSHHVLCRZSE-KRWDZBQOSA-N 419.396 5.700 0 40 HKAB Cc1ccccc1CN1CCC(C(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 44915820 VCECMQZQJIBGEZ-UHFFFAOYSA-N 412.533 5.077 0 40 HKAB O=C(NCc1ccccc1Cl)c1scc(-c2ccc(F)cc2)c1-n1cccc1 64472696 WSNFLHALRRVBGY-UHFFFAOYSA-N 410.901 5.928 0 40 HKAB COc1cccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)c1 67258515 IEUGVZNNRBUQLP-UHFFFAOYSA-N 422.937 5.399 0 40 HKAB Cc1ccc(F)c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1 67294624 RGOMVERXPGPJHM-VYIQYICTSA-N 406.844 6.018 0 40 HKAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccc(C)c(C)c2)nc1 67295150 IFNVBALDSCOIBM-PNHLSOANSA-N 417.896 5.891 0 40 HKAB CCCOCN(C(=O)CSc1nc2ccccc2s1)c1c(C)cccc1CC 82086817 XKEWIOOAPYPTTN-UHFFFAOYSA-N 414.596 5.677 0 40 HKAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1csc(CCc2ccccc2)n1 89558919 MKQOLERUOUPCKV-MRXNPFEDSA-N 413.612 5.650 0 40 HKAB Clc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1ccsc1)O2 102907239 GDECNOZHZRSSMH-UWJYYQICSA-N 410.882 5.373 0 40 HKAB CO[C@@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@@H](C)CCCC(C)C)[C@H]12 118932524 WCLAESSRAKSOIR-PXGZMZAMSA-N 416.690 7.014 0 40 HKAB Cc1ccccc1OC[C@@H](C)NC(=O)c1cc(Cl)ccc1OCc1ccccc1 219773932 MUZADDPRESIYEG-GOSISDBHSA-N 409.913 5.425 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2cccc(Cl)c2)c1 224147389 RWDOKVXRXAUIIO-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1cccc(Cl)c1 224152515 RTVPWXIEOKAPNB-SFHVURJKSA-N 423.940 5.679 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1c1ccccc1 224153271 IHATYTHPQSWRSN-SJORKVTESA-N 416.369 5.083 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)c1 224230961 LMPCFRVSMMBKHP-DHIUTWEWSA-N 414.534 5.010 0 40 HKAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1SCc1ccccc1 224997568 WBIJFROIRCEFCU-UHFFFAOYSA-N 404.535 5.068 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c2ccccc2O1 225331903 FYLHVSPFXDOWDF-PGRDOPGGSA-N 407.554 5.532 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NC3CCCCCCC3)c2)cc1 225517905 OOKXHJIXZPNNBY-UHFFFAOYSA-N 422.638 6.614 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(Oc2nccs2)cc1 225647410 PZAZVQVCCPMOQL-UHFFFAOYSA-N 407.322 5.491 0 40 HKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2nc3ccccc3s2)S1 260769269 LFOKVILYKKORGS-JSNMRZPZSA-N 417.563 5.071 0 40 HKAB Fc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408572132 FHIZBTJZYLHPSB-UHFFFAOYSA-N 420.336 6.177 0 40 HKAB CCOc1cc(C(=S)NCCc2ccccc2)ccc1OCc1ccc(F)cc1 408575473 OLOGWJJMLIISIR-UHFFFAOYSA-N 409.526 5.311 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccc(OC(C)C)c4)ccc3o2)c(C)c1 408621261 LCNNLWPZEVIXLU-UHFFFAOYSA-N 400.478 6.151 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)c(Cl)c3)n2)cc1 408693627 BDNCPIOXOGKMBQ-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccccc2)cc1 408699990 YBMUQGIYLGVEHJ-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CCOc1ccc(NCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 409109405 DEFGFGFQSHNRFQ-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB CCOc1cc(CNc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl 409110719 YDCYPNZSKONZCX-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB CC(=O)N1CCCCCCCCN(C(=O)Cc2ccc(F)cc2)Cc2ccccc21 643553298 JZKFNCCTHNLGGO-UHFFFAOYSA-N 410.533 5.104 0 40 HKAB COc1ccccc1Cn1nc(-c2ccc(C(=O)O)cc2)cc1-c1cccc(F)c1 2037854347 YJOJSZJITWAIQR-UHFFFAOYSA-N 402.425 5.111 0 40 HKAB O=C(N[C@@H](Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl)c1ccco1 725860 PMYKKZJVHDPNMQ-GFCCVEGCSA-N 402.492 5.125 0 40 HKAB Cc1cc(C(=O)OCC(=O)c2ccc(OCc3ccccc3)cc2)c2ccccc2n1 993164 PDPFRGFUUWDGHH-UHFFFAOYSA-N 411.457 5.162 0 40 HKAB CC1(C)CN(c2cccc(-c3ccnc4c(-c5ccc(Cl)cc5)cnn34)c2)C1=O 1384428 FIZOZGOJAYHTKL-UHFFFAOYSA-N 402.885 5.090 0 40 HKAB CCCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 2052183 IOVWSJXJBAMFQO-UHFFFAOYSA-N 401.919 5.542 0 40 HKAB Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3c(C)cccc3C)c2c1 2079792 YWIKLTZTNKMORG-UHFFFAOYSA-N 414.936 7.041 0 40 HKAB O=C(c1ccccc1)N(Cc1ccccc1)c1ccc(-c2nc3ccccc3o2)cc1 2138124 NBOGWBIXRYIZMT-UHFFFAOYSA-N 404.469 6.342 0 40 HKAB CCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)cc1OCC 2225960 ZGZGKECBCZMDRF-SXGWCWSVSA-N 406.265 5.135 0 40 HKAB Fc1ccc([C@@H]2C3=C(N=C4SC=C(c5ccccc5)N42)c2ccccc2CC3)cc1 2344273 WKWGMGBRMLEORL-RUZDIDTESA-N 410.517 6.641 0 40 HKAB Clc1ccc(-n2ncc3c2ncn2c(-c4ccccc4Cl)nnc32)cc1Cl 2399992 LTNURVMBKRIYHI-UHFFFAOYSA-N 415.671 5.090 0 40 HKAB Cc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 2405393 AKGYQTIUOBOJAE-HSZRJFAPSA-N 410.473 5.171 0 40 HKAB O=C(NCCc1c[nH]c2ccccc12)c1cccnc1Nc1cccc(C(F)(F)F)c1 2561984 ZHHGIWYVPGOVQF-UHFFFAOYSA-N 424.426 5.298 0 40 HKAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(-c4ccccc4)cc3)NC(=O)CCN21 2726706 RROWJIDBOKEPEV-MGZHDZRPSA-N 408.545 5.689 0 40 HKAB biogenic CC(C)(C)c1ccc(C(=O)N(C(=O)c2ccc(C(C)(C)C)cc2)c2ncccn2)cc1 2727835 DVDBCKHXZJBZNU-UHFFFAOYSA-N 415.537 5.559 0 40 HKAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cccc(Oc2ccccc2)c1 3295973 MVZDDFOBYWKEBK-UHFFFAOYSA-N 417.505 5.463 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1cc(C)c2ccccc2n1 3347596 CSHNQLRRWLHTCW-UHFFFAOYSA-N 402.523 5.077 0 40 HKAB CC(C)COc1ccc(C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)cc1 3655481 WBOAVDNRRICVOL-UHFFFAOYSA-N 413.473 5.951 0 40 HKAB COc1ccc(C2=C[C@@H](c3ccc(N(C)C)cc3)Sc3cc(C)ccc3N2)cc1 3846937 PQIBVOSMZXTCRM-DEOSSOPVSA-N 402.563 6.370 0 40 HKAB biogenic COC(=O)CC[C@H]1C(=C(C)C)CC[C@H](C)[C@]1(C)COc1ccc2ccc(=O)oc2c1 4025386 LWKZASDDSMSRFV-ADSMNUKGSA-N 412.526 5.514 0 40 HKAB biogenic O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)C(c1ccccc1)c1ccccc1 4120225 GOFQASOKHSHRLX-UHFFFAOYSA-N 424.466 6.076 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)sc2c1CCCC2 4577036 IBYXZVMHGWMEQP-CYBMUJFWSA-N 421.946 5.171 0 40 HKAB O=c1c2ccccc2nc(/C=C/c2ccccc2F)n1-c1cccc(C(F)(F)F)c1 4611112 PLEOZVZNXKTXNB-OUKQBFOZSA-N 410.370 5.714 0 40 HKAB CCOc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2c(F)cc(F)cc23)cc1 4970357 PZUQLGDLBXFWIG-UHFFFAOYSA-N 415.443 6.226 0 40 HKAB COc1ccc(-n2c(SCc3ccccc3C)nnc2-c2cccc(OC)c2)cc1 5478254 ZPKUUHWGJUJHOL-UHFFFAOYSA-N 417.534 5.552 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2c(C)cccc2Cl)cc1 5532700 ZUUAKFSFIJBMRM-UHFFFAOYSA-N 420.896 5.113 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(C)c4OC)cc3)nc2c1 5984844 DKZWZAAUTKBZME-INIZCTEOSA-N 414.505 6.578 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)C(c3ccccc3)c3ccccc3)ccc21 6248910 VQTUMYMGHDBPPF-UHFFFAOYSA-N 404.513 6.585 0 40 HKAB COc1ccc(/C=C2\CCCC3=C2N=C(SC)N[C@H]3c2ccc(OC)cc2)cc1 6372889 NMVYRRAIZSWJQY-LXKWBGADSA-N 406.551 5.589 0 40 HKAB COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCc1cccc2ccccc12 6606428 XLTPGYWQEFMTRD-UHFFFAOYSA-N 408.457 5.331 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 7073155 BINADDRTQKVDLX-QGZVFWFLSA-N 416.546 6.494 0 40 HKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)cc1C 7927998 XJRSZMKDXAXUJE-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(Cc4ccccc4)cc3)CC2=O)cc1Cl 7928633 CNHIHQYXVQYIKL-HXUWFJFHSA-N 419.908 5.198 0 40 HKAB O=C(c1cc2c(F)cccc2s1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 7981831 JWSFQMXJOKVDSP-CYBMUJFWSA-N 412.511 5.476 0 40 HKAB O=C(NCC(c1ccccc1)c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 8324631 SIUNFSILKKCMQO-UHFFFAOYSA-N 410.473 5.094 0 40 HKAB O=C(c1ccc(Cl)cc1)n1ccc(-c2ccccc2OCc2ccc(Cl)cc2)n1 8888399 ZROZDZVKFDBWOG-UHFFFAOYSA-N 423.299 6.124 0 40 HKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(OC)c(Cl)c3)sc2c1 8903149 LIHNWBYCIURQTE-UHFFFAOYSA-N 418.902 5.168 0 40 HKAB Cc1ccccc1C(=O)Nc1nnc(SCc2ccc(Br)cc2)s1 9366801 INKKLSDDKIGWMH-UHFFFAOYSA-N 420.357 5.154 0 40 HKAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCCC[C@H]1c1nc2ccccc2s1 9581904 QKYYMGNKDAHCOT-HNNXBMFYSA-N 400.887 5.046 0 40 HKAB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3cccc(Cl)c3Cl)CC2)cc1 9983996 QAKAUFZLSGKKQK-JXMROGBWSA-N 418.320 5.137 0 40 HKAB Cc1cc(NC(=O)c2ccccc2Cl)n(-c2nc(-c3cccs3)cs2)n1 11693799 DZHBKQRJGPFVPI-UHFFFAOYSA-N 400.916 5.271 0 40 HKAB COc1ccc(N(Cc2cccs2)C(=O)COc2ccc(C(C)(C)C)cc2)cc1 11916546 CMKUDVXTIVCZQA-UHFFFAOYSA-N 409.551 5.666 0 40 HKAB Cn1nc(C(F)(F)F)cc1[C@H]1CCCCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12119636 JVHLOVDJJILFJI-JRQWYPPZSA-N 409.496 5.099 0 40 HKAB O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccco1)Cc1ccccc1F 12391224 FQNSUAIIPDWNST-UHFFFAOYSA-N 409.482 5.080 0 40 HKAB Cc1cc(C(=O)CN(C)Cc2nc3ccccc3s2)c(C)n1Cc1cccs1 12569107 SZCJIYGRYZWQHT-UHFFFAOYSA-N 409.580 5.139 0 40 HKAB C[C@H](c1nnc(-c2ccc(F)cc2)o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 12617713 GMZGSFXWGBIZMI-GDBMZVCRSA-N 408.502 5.426 0 40 HKAB Cc1nc(-c2nc(NCCc3c(C)noc3C)ncc2-c2ccsc2)sc1C 12751675 UKSHASWQJYJZHC-UHFFFAOYSA-N 411.556 5.205 0 40 HKAB Cc1cccc(-c2nnc(S[C@@H](C)c3nc(C(C)(C)C)no3)n2Cc2ccco2)c1 12912350 BQQIPGMQTVGSEC-HNNXBMFYSA-N 423.542 5.429 0 40 HKAB CCc1ccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)nc3n2CCCO)cc1 13712132 OZZYEJDCLIQOEH-UHFFFAOYSA-N 421.544 6.082 0 40 HKAB N=C1NC(=O)/C(=C/c2c(OCc3cccc4ccccc34)ccc3ccccc23)S1 15225290 DINCSJDOBKQPKA-UCQKPKSFSA-N 410.498 5.711 0 40 HKAB Cc1cc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc(C)c1Cl 15832055 LEDRRNASXHHZRS-MRXNPFEDSA-N 412.917 5.272 0 40 HKAB Cc1cccc(OCCSc2nc3ccc(NC(=O)CC(C)C)cc3s2)c1 15832810 DZWILYJLWJNXMZ-UHFFFAOYSA-N 400.569 5.760 0 40 HKAB O=C(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1cc(-c2ccccc2O)[nH]n1 15974293 CURFPPYRXGETPW-UHFFFAOYSA-N 423.428 5.012 0 40 HKAB CCCC[C@H](CC)COC(=O)C(=Cc1ccccc1)C(=O)OC[C@H](CC)CCCC 17285440 DDRDRGWDSPDASN-SZPZYZBQSA-N 416.602 6.589 0 40 HKAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4cccc(OC)c4)CC3)c2)cc1 19691190 UIJUEHIVHJTAEQ-UHFFFAOYSA-N 416.521 5.094 0 40 HKAB CCn1ncc(CN2CCC[C@@H]2c2cc(Cc3ccccc3Cl)cc(C)n2)c1C 19692001 AFGFPPNKPAFWOH-XMMPIXPASA-N 408.977 5.496 0 40 HKAB CCCCN1C[C@@H](c2nc3ccccc3n2Cc2c(C)c(C)cc(C)c2C)CC1=O 20897576 GYEOAPDJXOSWFJ-NRFANRHFSA-N 403.570 5.434 0 40 HKAB COc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)cc1OCc1ccncc1 24775207 ZFJIXOYWVUJNRI-QHCPKHFHSA-N 424.928 5.450 0 40 HKAB COc1ccc(CN(C(=O)c2oc3ccccc3c2C)c2ccccn2)cc1OC 27744154 RRXGSPLAWHYDPT-UHFFFAOYSA-N 402.450 5.000 0 40 HKAB CC[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 28290808 KVPJEYHTYLJUIA-FQEVSTJZSA-N 416.855 5.404 0 40 HKAB O=C1S/C(=C2\SC(=O)N(c3ccccc3)C2=S)C(=S)N1c1ccccc1 32714627 IZMJDYXGDXFWCX-YPKPFQOOSA-N 414.558 5.600 0 40 HKAB CCCCN(CCCC)CCCNC[C@@H]1C(=O)O[C@H]2C[C@@]3(C)CCC[C@@H](C)C3=C[C@H]21 33887769 FGNDTNHMDIFKKW-QWZRYHCCSA-N 418.666 5.183 0 40 HKAB C[C@H]1CN(C)[C@H](C)c2c1oc1ccc(NC(=O)c3ncoc3-c3cccs3)cc21 34087011 NATIKTRDTUWVJS-QWHCGFSZSA-N 407.495 5.512 0 40 HKAB COc1ccccc1NC(=O)C1CCN(C(=O)Nc2c(C)cccc2C(C)C)CC1 43281475 YGPNIAMVAJSIIH-UHFFFAOYSA-N 409.530 5.010 0 40 HKAB Cc1ccc(NC(=O)c2nnn(-c3ccc(C)c(C)c3)c2-c2cccnc2)c(Cl)c1 49003599 LPUCQQQETYAQSR-UHFFFAOYSA-N 417.900 5.160 0 40 HKAB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3ccccc3Cl)cccc2c1Cl 57315820 IMIFHDZHXPXOKO-UHFFFAOYSA-N 421.349 5.989 0 40 HKAB CCOc1cccc(-c2nc3c(Br)c(N)c(Br)cc3o2)c1 57326850 GCQGAWZJAUEWTB-UHFFFAOYSA-N 412.081 5.001 0 40 HKAB CCOc1ccc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1 64472550 YPDDMKAJVCABQI-UHFFFAOYSA-N 402.519 6.165 0 40 HKAB CCc1ncc(C(=O)Nc2ccc(Cl)cc2C(=O)N2[C@@H](C)CCC[C@@H]2C)s1 65054191 ULCUJJWTQACOAL-STQMWFEESA-N 405.951 5.014 0 40 HKAB COc1ccc([C@H](NC(=O)COc2cc(C)ccc2C(C)C)c2ccccc2)cc1 67194133 PHAIGOVXRAXCRU-AREMUKBSSA-N 403.522 5.412 0 40 HKAB Fc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c(Br)c1 71761664 TXRKDUPNKKGPEB-UHFFFAOYSA-N 409.202 5.296 0 40 HKAB Cc1cc(C(=O)N2C[C@H]3CCC[C@@](O)(c4cccc(C(F)(F)F)c4)[C@@H]3C2)sc1C 72340403 RZHBBUFATDTUKH-FQELHTAISA-N 423.500 5.144 0 40 HKAB C[C@H]1CC2=NC(Nc3nc4ccccc4o3)=N[C@@H](c3cc(F)cc(F)c3)C2=C(O)C1 102664277 LZJXPHSQOZHITC-YBTHPKLGSA-N 408.408 5.312 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1 107042727 VUHCLHZFYXTYAI-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB CCOc1ccc(-c2cnc(NCc3ccccc3OCC)n2C[C@H](C)CC)cc1 199420855 UWKWFNYEVMTSHM-LJQANCHMSA-N 407.558 6.006 0 40 HKAB O=C(CSc1nc2ccccc2s1)Nc1ccccc1-c1cn2ccsc2n1 206893266 RYCLURXTSKPABX-UHFFFAOYSA-N 422.560 5.403 0 40 HKAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCS[C@H](c2ccccc2)CC1 208042110 WFMZGZUEJHMAQP-QHCPKHFHSA-N 414.530 5.815 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2OC(C)C)c1 222560825 HOXVTZIMVOFFNI-QNGOZBTKSA-N 420.534 5.253 0 40 HKAB Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224175945 JODBUPGDYZABAC-XZOQPEGZSA-N 414.509 5.189 0 40 HKAB CCOc1ccc(-c2cnc(CCC(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 224857998 LKTVODFCZKBDGQ-UHFFFAOYSA-N 405.281 5.618 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c2ccccc2O1 224905512 UMCBDIVRJHVNQL-OXQOHEQNSA-N 401.934 5.615 0 40 HKAB O=C(c1snnc1-c1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 225770904 KKAXKMGGYQMTJW-UHFFFAOYSA-N 419.937 5.701 0 40 HKAB Cc1cccnc1Nc1cccc([C@@H]2CCCN(C(=O)c3nccc4ccccc34)C2)n1 257321623 WCKNQBNZICUACQ-HXUWFJFHSA-N 423.520 5.097 0 40 HKAB Cc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 408699251 SKYLYPVDDLKZDN-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB CCCc1sc2nc(Sc3ccccn3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C 409111463 CWBSQXNIFZVZRC-UHFFFAOYSA-N 421.591 5.871 0 40 HKAB CCN1C(=O)S/C(=C\c2cn(CCCOc3ccccc3)c3ccccc23)C1=O 409139165 ASTJJINNWAFVOL-QNGOZBTKSA-N 406.507 5.167 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1 409194027 KIMJBDKLJHLXFC-UHFFFAOYSA-N 418.320 6.760 0 40 HKAB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)Cc1ccc(F)cc1 822389 QLKMYJHUPPXKQH-UHFFFAOYSA-N 401.553 6.170 0 40 HKAB Cc1nc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)sc1C 1355599 IEVQFGOSNUKLLJ-UHFFFAOYSA-N 420.563 5.343 0 40 HKAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCC3)cc2c1 1371394 SPYRHQDSIFAAIY-UHFFFAOYSA-N 423.944 5.775 0 40 HKAB Cc1cccc(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)c1 1851221 QOUPBZLPSREARN-UHFFFAOYSA-N 408.221 6.980 0 40 HKAB C=Cc1ccc(COc2ccc3c(=O)c(Oc4cccc(OC)c4)coc3c2)cc1 2104254 XQVHMZICVDWWKZ-UHFFFAOYSA-N 400.430 5.816 0 40 HKAB biogenic Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(Cc1ccco1)C3=O 2434698 GRRKGIQOYRKGMX-HXUWFJFHSA-N 405.837 5.093 0 40 HKAB CC(C)n1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs/c1=N\c1ccccc1 2676918 PHJQTGWPMRNKMK-PNHLSOANSA-N 422.638 7.331 0 40 HKAB Brc1ccc(C2=C[C@H](c3cccs3)n3c(nc4ccccc43)N2)s1 2914908 HQFGGGVVKHTFDP-CQSZACIVSA-N 414.353 5.978 0 40 HKAB COc1ccc(CNc2nc(SCc3ccccc3Cl)nc3ccccc23)cc1 2948828 MXGAKYQLYSUERI-UHFFFAOYSA-N 421.953 6.196 0 40 HKAB CCc1ccc(C(=O)COC(=O)CSc2cc(C)c(Br)cc2C)cc1 3279254 YPBGAJKVEUBKFG-UHFFFAOYSA-N 421.356 5.147 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2c(C)cccc2C)cc1 3655425 STELKLVJNYTIBK-UHFFFAOYSA-N 413.473 5.607 0 40 HKAB O=C(Nc1ncc(-c2ccccc2)s1)c1cc(-c2ccccc2)nc2ccccc12 4176844 YWYIBRMFDHSDCY-UHFFFAOYSA-N 407.498 6.278 0 40 HKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccc(F)cc1 4413873 RHVMXQLEQLVDQS-UHFFFAOYSA-N 404.466 5.879 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4F)o2)N3)C1 4523665 PBAXDNDAOZDZOU-YEJXKQKISA-N 424.541 6.152 0 40 HKAB C[C@@H](NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2)c1ccccc1 4812607 BVWWUJHOFCBHGD-BJZITVGISA-N 414.431 5.034 0 40 HKAB Brc1ccc(-n2nc(-c3ccccc3)c3cnc4ccccc4c32)cc1 4969891 QUJXYVCMHCTJQX-UHFFFAOYSA-N 400.279 6.003 0 40 HKAB CC(C)(C)c1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCO5)cc1 4969981 LAGINUGNNRMKDW-UHFFFAOYSA-N 421.500 6.267 0 40 HKAB Cc1cc2oc(=O)c3c(c2c2occ(-c4ccc(Br)cc4)c12)CCCC3 5340832 DIMKFFHKTVKDIP-UHFFFAOYSA-N 409.279 6.156 0 40 HKAB Cc1c(C)c(OC(=O)c2cccc(Cl)c2)c(Cc2nc3ccccc3[nH]2)c(C)c1O 6566957 IFAUPYYRNFKNRI-UHFFFAOYSA-N 420.896 5.657 0 40 HKAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccc(F)cc1 6847620 AMUDQWMHQOLXCP-OAHLLOKOSA-N 401.576 6.428 0 40 HKAB COc1cc(CNC(C)(C)C)cc(Br)c1OCc1ccccc1Cl 6882501 KKZVBPNTJDNEFW-UHFFFAOYSA-N 412.755 5.578 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)cc1 8033538 XDBUNHXONSSVJG-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)Nc2ncc(C)s2)cc1 8315213 PXSUZGBJIIQJJF-UHFFFAOYSA-N 405.548 5.732 0 40 HKAB O=C(c1ccc(Cl)cc1)[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccccc3)=NN12 8426652 KSOAGQYWXOQQHX-NFBKMPQASA-N 423.299 5.746 0 40 HKAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1cccc2ccccc12 8429302 BSMAAYDDKGYJSL-UHFFFAOYSA-N 405.548 5.394 0 40 HKAB Ic1ccc(C2=Nc3ccccc3N[C@@H](c3ccccc3)C2)cc1 8457010 XRMHGJNATQCGTE-HXUWFJFHSA-N 424.285 5.969 0 40 HKAB Cn1c2ccccc2c2c([C@@H]3Nc4ccccc4C(=O)N3Cc3ccco3)cccc21 8783589 AAFHTWNYNXPRDW-RUZDIDTESA-N 407.473 5.691 0 40 HKAB O=c1c2ccccc2nc(/C=C/c2ccc(Br)cc2)n1-c1cccc(O)c1 9034194 YWGPZCKTCJGJNJ-JLHYYAGUSA-N 419.278 5.024 0 40 HKAB COc1ccc(C(=O)Nc2nc3ccccc3n2CCOc2ccccc2Cl)cc1 9090122 QIGVOILJGGHIPQ-UHFFFAOYSA-N 421.884 5.030 0 40 HKAB O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCCO2)c1ccc(Cl)cc1 9223733 MHCMARUGDQRYJN-UHFFFAOYSA-N 422.868 5.006 0 40 HKAB C[C@H](NC(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)c1ccccc1 9633029 LQNOXNFIXKRISH-LBPRGKRZSA-N 422.000 5.286 0 40 HKAB CCCOc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1OCC 10003089 QDWWBFMJWQCNNR-UHFFFAOYSA-N 418.489 5.581 0 40 HKAB CCSc1ccccc1C(=O)N(CC)Cc1nc(-c2ccccc2Cl)no1 12654909 MUHSPVWBEHXAKI-UHFFFAOYSA-N 401.919 5.164 0 40 HKAB O=C(Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)c1ccc2[nH]cnc2c1 12700711 NUNVEWVRVZLNAJ-UHFFFAOYSA-N 402.523 5.986 0 40 HKAB COc1cc(/C=C2\SC(=O)N(c3ccc(F)cc3)C2=O)c(Cl)cc1OC(C)C 13914357 MWVUBIXDYJVTLH-NVMNQCDNSA-N 421.877 5.516 0 40 HKAB O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1ccc(N2CCCCC2)cc1 14237914 HNDPCFXIHDVJFK-UHFFFAOYSA-N 409.917 5.557 0 40 HKAB Cc1ccc(NC(=O)CN2C(=O)CC(c3ccccc3)=Nc3ccccc32)c(Cl)c1 15770906 KPUIVZKQYQFTRV-UHFFFAOYSA-N 417.896 5.145 0 40 HKAB COc1ccc2oc(-c3ccc(NC(=O)CC45CC6CC(CC(C6)C4)C5)cc3)nc2c1 16227812 DLNQILMHHHJIBK-UHFFFAOYSA-N 416.521 6.048 0 40 HKAB Fc1ccc(COc2ccc3ccccc3c2CNC2C3CC4CC(C3)CC2C4)cc1 16525834 YAAXQKRAMZOCEE-UHFFFAOYSA-N 415.552 6.472 0 40 HKAB C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)S(=O)(=O)c1ccc2ccccc2c1 16576685 YVGXUTZRZCFGSG-IBGZPJMESA-N 401.531 5.889 0 40 HKAB CC[C@H](NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccc([C@H](C)CC)cc1 17082312 ZSUHTMILDZBVAM-LDJQZATESA-N 401.978 6.505 0 40 HKAB CC(C)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1nnc2ccccn12 20722036 PMVKGAUUCNPBRZ-XMMPIXPASA-N 421.504 5.072 0 40 HKAB Oc1nc(CN2CCC(c3nc4ccccc4s3)CC2)nc2c1oc1ccccc12 24813368 JOXQACRRQKJYBY-UHFFFAOYSA-N 416.506 5.071 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](N[C@@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 25051863 YFUWMMQZPSFPDI-LVXARBLLSA-N 424.548 5.520 0 40 HKAB COc1ccc(/C=C/c2nc3ccccc3nc2OCC(=O)c2ccc(C)cc2)cc1 33561548 XKAHAFWVHZVAPO-LFIBNONCSA-N 410.473 5.379 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2ccccc2Cl)cc1OCC 33659608 KQCRJGSWKQCUNL-UHFFFAOYSA-N 412.711 5.542 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1cccc2cc(O)ccc12 35314704 MUQSAGJAEANWOR-WEVVVXLNSA-N 417.317 5.379 0 40 HKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(CSc2ccccc2)cc1 44846996 OZUCDEOVRSABCL-QHCPKHFHSA-N 405.563 6.392 0 40 HKAB Cc1cccc(C(=O)N2C(=S)C(c3cccc(Cl)c3)=NC23CCCCCC3)c1 45933184 XBLYQCMWPCTQDL-UHFFFAOYSA-N 410.970 5.971 0 40 HKAB Cc1sc(CNC(=O)N2CCC[C@H](C(F)(F)F)C2)nc1-c1ccc(Cl)cc1 56790701 PAAUALXSRNTFQS-ZDUSSCGKSA-N 417.884 5.256 0 40 HKAB CC(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 60524909 ZWIHOIBKSCJAFC-UHFFFAOYSA-N 412.486 5.002 0 40 HKAB Cc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)cc1C 67259890 FGHAKNPLADMTOS-UHFFFAOYSA-N 410.539 5.555 0 40 HKAB O=c1c2cc(-c3cccc4ccccc34)nn2ccn1Cc1ccccc1C(F)(F)F 67260766 WQNJBJLOCZPPDC-UHFFFAOYSA-N 419.406 5.383 0 40 HKAB CC(=O)Nc1ccc(CN2CCC[C@@H]2c2cccc(Cc3ccccc3F)n2)cc1 72358110 XRMPNKCIOMUDPL-RUZDIDTESA-N 403.501 5.107 0 40 HKAB Cc1cc(-c2csc(-c3cccc(-c4nnc(N)o4)c3)n2)c(C)n1CC(F)(F)F 78612621 URMOPTGWBBZHMK-UHFFFAOYSA-N 419.432 5.090 0 40 HKAB Cc1ccc(-c2nnc(CCC(=O)N3CCCc4cc(Cl)cc(Cl)c43)o2)cc1 89642608 YJKSUWRZYNJQDX-UHFFFAOYSA-N 416.308 5.264 0 40 HKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101986853 AIAACAPGUYHRFB-IDVKNYFZSA-N 418.968 6.418 0 40 HKAB Cc1ccc(N2C(=O)/C(=C/Nc3ccc(Cl)cc3)c3ccccc3C2=O)c(C)c1 103004995 NFIPTFRDBUJLEX-KGENOOAVSA-N 402.881 5.597 0 40 HKAB CCCCCCCCCCCCCCCCCCCCCCOC(=O)/C=C/C(=O)O 103674827 RMLKCUDDJZHVOL-GHVJWSGMSA-N 424.666 7.992 0 40 HKAB Cc1ccc(C)c(OCCCCC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)c1 109036275 KCKIWCATEDDTRQ-UHFFFAOYSA-N 405.542 5.135 0 40 HKAB CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4CCCC[C@]4(C)[C@H]3CC(=O)[C@@]21C 118934490 HEBSTICEHROLMY-NIVGIGGMSA-N 416.602 5.373 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 218977129 LPROZGBQPUYQHT-UHFFFAOYSA-N 403.478 5.475 0 40 HKAB CCOc1ccc(CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 222731168 MINYFSNALCXHGR-UHFFFAOYSA-N 412.382 5.374 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(C(C)C)cc2)cc1 223260558 XTIBDDZRYYJQIK-JCMHNJIXSA-N 404.535 5.590 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1CSc1ccc(C)cc1 224336727 ZRUPJPKRRHNHPZ-UHFFFAOYSA-N 411.954 6.510 0 40 HKAB CCCCOCc1cc(C(=O)Nc2ccccc2Br)ccc1OCC 224726370 DUSNXMIFDPSAFH-UHFFFAOYSA-N 406.320 5.417 0 40 HKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@H](C)c1ccccc1C 224746801 QTEIJKMOKDHGLP-OSVNEOKWSA-N 404.535 5.013 0 40 HKAB CCc1cccc(CC)c1NC(=O)CCc1ncc(-c2ccc(OC)cc2OC)o1 224872251 FVRHPUHDGKUWHC-UHFFFAOYSA-N 408.498 5.055 0 40 HKAB CCOc1cccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)c1 225345898 MCTSJKDELOCBGW-UHFFFAOYSA-N 415.411 5.612 0 40 HKAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1Cl 225514616 NOVPFXXKWKRRGE-QGZVFWFLSA-N 401.934 5.513 0 40 HKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(C)cc1 225583434 BAVMEKJIIYXTNI-QFIPXVFZSA-N 402.941 5.267 0 40 HKAB Cc1ccc(C)c([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c1 225701170 WGVDBBMONSXJHD-IQJJTXKVSA-N 418.562 5.322 0 40 HKAB O=C(c1cc(Cl)ccc1Cl)N1CCS[C@H](c2cc(F)ccc2F)CC1 225743129 LDJJCCQBVPKSDR-KRWDZBQOSA-N 402.293 5.592 0 40 HKAB COc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1OC 225849902 XNQIBLZTWKNTKP-UHFFFAOYSA-N 424.488 5.479 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4cc(Cl)ccc4C)o3)N21 260756107 DJEHXVPBGXPVBV-HVETUWLQSA-N 423.969 6.283 0 40 HKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260817027 UMKUXPGPQHRTGM-OFVILXPXSA-N 418.622 5.357 0 40 HKAB CCOc1ccc(N[P@](=O)(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c2ccccc2)cc1 263621540 IRXPWPJDQDPAQU-SYPINDRRSA-N 415.514 6.493 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]21)c1ccccc1 408623957 SYBTWNANZHDTAD-RFZJPIJTSA-N 410.300 5.389 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 408626550 ICJFCHDMAFNLDA-UHFFFAOYSA-N 401.963 5.012 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3)nc2-c2cccc(Cl)c2)cc1 408695269 PBPYFVPHEGLCGL-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1ccc(NC(=O)c2c(NC(=O)c3ccc(F)cc3)sc3c2CCCC3)cc1 409054531 BHSQEJDFODZNEG-UHFFFAOYSA-N 408.498 5.579 0 40 HKAB COc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1cccc2ccccc12 409119145 QYAJHPCJJFEKLB-UHFFFAOYSA-N 417.936 7.001 0 40 HKAB O=C(c1ccco1)n1nc(Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1 575443121 OXIHWEWJKYNYCT-UHFFFAOYSA-N 413.264 5.959 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCCN1c1nc2ccccc2o1 675007750 NBLRBZGBQHGJFG-JOCHJYFZSA-N 413.477 5.014 0 40 HKAB O=Cc1cc(C=O)cc(-c2ccc(-c3ccc(-c4cc(C=O)cc(C=O)c4)cc3)cc2)c1 1911936395 BNRBEJSTASKSHF-UHFFFAOYSA-N 418.448 5.938 0 40 HKAB CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccccc12 645711 OVHWBQIMNKTHNB-UHFFFAOYSA-N 421.518 6.021 0 40 HKAB CCOc1ccc(OCc2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)o2)cc1 652641 HAFGGJKXLLUHOP-SFHVURJKSA-N 421.537 6.046 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Nc3ccc(Cl)cc3)c2C(N)=O)C1 672811 SQBVNVRIIBOFKX-LLVKDONJSA-N 405.951 5.295 0 40 HKAB CCCC(=O)Nc1cc(OCC)c(NC(=S)Nc2cccc(C)c2)cc1OCC 1324467 SSGCJRGTZWDPFJ-UHFFFAOYSA-N 415.559 5.340 0 40 HKAB O=c1c2ccccc2nc2n1[C@H](CSCc1ccc(Cl)cc1Cl)CS2 1405483 JOJFFPDDUBHMPN-CYBMUJFWSA-N 409.363 5.284 0 40 HKAB S=C(Nc1ccc2c(c1)Cc1ccccc1-2)Nc1ccc2c(c1)Cc1ccccc1-2 1602485 OXZQLIONCTZVIC-UHFFFAOYSA-N 404.538 6.638 0 40 HKAB in-vitro COc1ccccc1NC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1651996 HDYSJZNKPWLYJN-UHFFFAOYSA-N 415.487 6.573 0 40 HKAB Cc1cc(C)cc(Oc2coc3cc(OCc4ccccc4Cl)ccc3c2=O)c1 1768234 IYMVBWVHBOTHNJ-UHFFFAOYSA-N 406.865 6.435 0 40 HKAB COc1ccccc1NP(=O)(Oc1cccc(C)c1C)Oc1cccc(C)c1C 1861016 ORIOOHNFVFTOEN-UHFFFAOYSA-N 411.438 6.607 0 40 HKAB CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cc(C)c(C)cc1C)c1ccccc12 2184862 QFIHXOPYGNGDNR-UHFFFAOYSA-N 421.518 5.823 0 40 HKAB O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccc(Br)cc2)cs1 2208079 IFXIRVJWAYZLBD-UHFFFAOYSA-N 418.699 5.999 0 40 HKAB Cc1cccc(N2CCN(C(=O)c3cc(-c4ccccc4)nc4ccccc34)CC2)c1C 2259412 VSDTYVHQLBXFFF-UHFFFAOYSA-N 421.544 5.481 0 40 HKAB O=[P@](Cc1ccccc1)(c1ccccc1)N(CCc1ccccc1)c1ccccc1 2355101 MBGPBOLNHCZHMY-SSEXGKCCSA-N 411.485 6.540 0 40 HKAB Clc1cccc(Cl)c1CSc1ncnc2c1cnn2Cc1ccccc1 2450313 KQEAMBXTRMFPBQ-UHFFFAOYSA-N 401.322 5.474 0 40 HKAB CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCc3ccc(Cl)cc3)c2C1 3261918 LWMWEBJLMAIROK-QGZVFWFLSA-N 407.941 6.396 0 40 HKAB CCOc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccccc4)cs3)n2)cc1 3765728 NZTCVZQCQNJQEH-UHFFFAOYSA-N 415.440 6.080 0 40 HKAB CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)C=C(C)[C@]4(C)[C@@H]3CC[C@]12C 3874229 TXUICONDJPYNPY-AZRZUIITSA-N 414.630 6.647 0 40 HKAB CCCCn1c([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21 4033381 PYUVHBVJAYMTLK-OAHLLOKOSA-N 412.331 5.119 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 4269331 USYNZOKHVGUAJA-UHFFFAOYSA-N 414.530 6.517 0 40 HKAB CC(C)(C)C(=O)NCCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl 4385653 VANWWFFNJQHPHC-UHFFFAOYSA-N 404.341 5.096 0 40 HKAB C[C@@H](NC(=O)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2)c1ccccc1 4661114 NHDBOUACFMYXBR-PDAGHZANSA-N 422.572 6.474 0 40 HKAB CC(C)c1ccc(C(=O)CSc2nc(-c3ccccc3)nc3c2CCCC3)cc1 4666897 DUSQFAASXWOGPJ-UHFFFAOYSA-N 402.563 6.121 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)cc1 4699594 LBNMWOPQRNWFBL-UHFFFAOYSA-N 420.896 6.533 0 40 HKAB CC(=O)OCC(=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 4897064 LVFYHUIQUAZOKG-PGCYJSDXSA-N 414.586 5.437 0 40 HKAB CCOC(=O)/C(C(=O)Nc1cccc2ccccc12)=C(\C)Nc1c(C)cccc1C 5322304 HYDXWXGGYXYDIN-RELWKKBWSA-N 402.494 5.344 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 5384663 FBARRTMJWTXUEY-INMULRNOSA-N 424.610 5.773 0 40 HKAB CN(C)CCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 5999420 KRTZAMUKGAJNOB-UHFFFAOYSA-N 406.580 5.049 0 40 HKAB Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 6159438 ILDJITMFUSDGBG-UHFFFAOYSA-N 406.382 6.379 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccc(Cl)cc3)o2)cc1Cl 6234161 XZQDTRBSXVPNLW-UHFFFAOYSA-N 408.310 5.006 0 40 HKAB CCCC[C@@](CC)(CCCNC(=O)Nc1ccccc1)CNC(=O)Nc1ccccc1 6264601 VXOMZJSGOPHYHX-VWLOTQADSA-N 424.589 5.997 0 40 HKAB Cc1cc(C(=O)CSc2nnc(COc3ccc(Cl)cc3)o2)c(C)n1C1CC1 7193651 SXUXBQFUTNUTMH-UHFFFAOYSA-N 417.918 5.030 0 40 HKAB Cc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2cccs2)c(Br)c1 7527853 VEIJHNQOBYAUFQ-FQEVSTJZSA-N 416.340 5.104 0 40 HKAB CCn1c(SCc2cn(-c3ccccc3)nc2-c2ccccc2)nnc1C1CC1 7618609 JHSCVQPBRJHTBB-UHFFFAOYSA-N 401.539 5.320 0 40 HKAB Cc1oc2cc3oc(=O)c(CC(=O)Nc4ccc5[nH]ccc5c4)c(C)c3cc2c1C 8764854 QDULRNIDFNLVOE-UHFFFAOYSA-N 400.434 5.127 0 40 HKAB biogenic COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 9960598 VQUJYTIQKSPLPK-UHFFFAOYSA-N 418.371 5.185 0 40 HKAB COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)c3cc(C(C)C)on3)no2)cc1 12185338 WMLWJYJKIXKDAD-HXUWFJFHSA-N 409.486 5.219 0 40 HKAB O=C(C1CCC1)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2Cl)cs1 12568588 JIKIFHAUYWYBAO-UHFFFAOYSA-N 400.906 5.936 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3C(C)C)c2n1 12651137 TXKXSMSUGUPTPF-UHFFFAOYSA-N 403.309 5.991 0 40 HKAB COc1ccc(-c2nc(CS[C@@H](C)C(=O)Nc3ccccc3Cl)cs2)cc1 12977376 MMEJGDASEUVNJV-ZDUSSCGKSA-N 418.971 5.733 0 40 HKAB CSc1cccc(NC(=O)CSc2nn(-c3ccc(F)cc3)c(=S)s2)c1 13017917 ABCQEOKKINRPIA-UHFFFAOYSA-N 423.585 5.255 0 40 HKAB O=C(Nc1ccc2c(c1)CCC2)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 13029011 NKILZZAIAKMVDT-UHFFFAOYSA-N 423.866 5.098 0 40 HKAB CCc1nn2c(c1-c1ccccc1)N=C(c1ccc(OC)cc1)C[C@H]2c1cccnc1 14607609 ZFVKVCWIYASODC-DEOSSOPVSA-N 408.505 5.630 0 40 HKAB Cc1ccc(C2=N/C(=C/c3ccc(OCc4c(F)cccc4Cl)cc3)C(=O)O2)cc1 15277427 UTLXEMVPJPZWFN-LPYMAVHISA-N 421.855 5.711 0 40 HKAB Cc1cc(Br)cc(Br)c1NC(=O)Nc1ccc(Cl)cc1 16269474 FJJAFLVGYVTJTO-UHFFFAOYSA-N 418.516 5.817 0 40 HKAB CCCN(C(=O)CSc1nnc(NCc2ccc(F)cc2)s1)C1=CCCCC1 16336228 NKMPMFMOCDFWCP-UHFFFAOYSA-N 420.579 5.078 0 40 HKAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)C1CCN(CC2CCCCC2)CC1 19236855 SREJZNZGEBTPSY-VWLOTQADSA-N 405.586 5.153 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc(C(=O)O)c1 20150870 QULABXQQHBLOPT-RMKNXTFCSA-N 402.233 5.604 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 20456798 VSEHGSACHKIXFL-SFHVURJKSA-N 424.500 5.592 0 40 HKAB CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1Cl 20459886 FNHCJCAXBAUQGC-RCCKNPSSSA-N 405.881 5.696 0 40 HKAB CC1CCC(C(=O)N[C@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)CC1 20569703 XIRORTQJAFOMHZ-MKJPBZQASA-N 409.917 5.422 0 40 HKAB Cc1ccc2[nH]c(C(=O)N3CCC(C)CC3)c(NC(=O)c3ccc(Cl)cc3)c2c1 21361719 UCNNGZWSMHTOPZ-UHFFFAOYSA-N 409.917 5.254 0 40 HKAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)Nc1cccc(Cl)c1 22907665 AVCPNPDCRJGJEB-HXUWFJFHSA-N 411.958 5.323 0 40 HKAB Cc1ccc(NC(=S)NCCCCCc2nc(-c3cccs3)no2)cc1C 24045540 JZYPAHZRRIVIME-UHFFFAOYSA-N 400.573 5.114 0 40 HKAB CC(C)n1c(SCc2ncc(-c3cccc(Cl)c3)o2)nc2ccccc2c1=O 24047823 GTLKWUCBDZOHHK-UHFFFAOYSA-N 411.914 5.578 0 40 HKAB CCCCN1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1=O 27792477 AXCFVTGUOAFYFC-MRXNPFEDSA-N 416.352 5.507 0 40 HKAB CC(C)COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1Cl 30201139 RIRDSTXBAJRMHW-UHFFFAOYSA-N 404.919 5.061 0 40 HKAB Cc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccccc2)cc1C 33661440 DPMLNIHKTCDBHY-UHFFFAOYSA-N 401.535 5.722 0 40 HKAB COc1cc(CNC(=O)Nc2ccc(SC3CCCC3)cc2)cc(OC)c1OC 40105010 QYEPFGXUVQEBKM-UHFFFAOYSA-N 416.543 5.069 0 40 HKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2Cl)cc1 40485662 XSLXSEFNCPDUKX-QFIPXVFZSA-N 424.327 6.355 0 40 HKAB CC(C)(c1ccccc1)c1ccc(OCC[C@@H]2CCCNC2)c(Br)c1 42770648 XXDYJIYSDADCIT-KRWDZBQOSA-N 402.376 5.544 0 40 HKAB Cc1cccc(C)c1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 46012548 FUEMYFZYUZLQTO-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CC(C)c1ccc(CSc2nnc(SCC(=O)Nc3cccnc3)s2)cc1 58332177 OKUQPUSIQHQCKS-UHFFFAOYSA-N 416.597 5.080 0 40 HKAB Cc1nc(-c2cccc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)c2)no1 64823444 DONYEHQZQDKPOH-UHFFFAOYSA-N 418.067 5.306 0 40 HKAB COc1ccc(Cn2c(SCc3ccccc3Cl)nc3ccccc3c2=O)cc1 67258838 CNCNSWXAKSIAHQ-UHFFFAOYSA-N 422.937 5.399 0 40 HKAB CSc1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2ccc(C)cn2)c1 67294278 GEBBCZYHGIPDKX-BZZOAKBMSA-N 417.490 5.048 0 40 HKAB COc1cccc(Cc2cccc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)c1 72349053 OUYLMWQMFRYSIY-QHCPKHFHSA-N 414.549 5.020 0 40 HKAB C[C@H]1Cc2ccc(F)cc2CN1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 78868906 KRSMKSCOABORPV-AWEZNQCLSA-N 409.486 5.118 0 40 HKAB Cc1ccc(CN2CCC(c3cc4c(ncn4C(C)C)c(-c4cccnc4)n3)CC2)o1 96100010 RADRLSYQFRQCSE-UHFFFAOYSA-N 415.541 5.355 0 40 HKAB CC[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(C)cc1C 219774982 ZAVKSWGNNYXBCO-HSZRJFAPSA-N 407.941 6.417 0 40 HKAB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)Nc3ccccc3Cl)C2)n1 220825492 ZJAHPJGWOUISDC-INIZCTEOSA-N 410.905 5.185 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1cccc(C)c1 224110781 WLUDYFYVKDPZMW-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1cccc(Cl)c1 224145765 XWOKCCWKRGUWER-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccc(Cl)c(C)c1 224203274 AOJJRSRPORGCDK-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB COc1ccc(CCNC(=O)c2ccc(OC)c(CSc3ccc(C)cc3)c2)cc1 224334460 GAJLPABKSXTBPN-UHFFFAOYSA-N 421.562 5.277 0 40 HKAB O=C(Nc1ccc2c3c(cccc13)CC2)C1CCN(Cc2cccc(Cl)c2)CC1 224535580 PMKFJKZLHDCHKJ-UHFFFAOYSA-N 404.941 5.443 0 40 HKAB CC[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(OC)c(C)c1 224585600 KMEFWNLCNVJXSG-HSZRJFAPSA-N 423.940 6.117 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccco2)N1c1ccc(Oc2ccccc2)cc1 224624856 ZCXTZOBOIPLBNT-PKTZIBPZSA-N 413.502 5.644 0 40 HKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 224975985 SLMBNWCBDHPWBN-UHFFFAOYSA-N 421.584 7.003 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C 225580659 BAUZWNAYFDHJQE-QGZVFWFLSA-N 401.934 5.513 0 40 HKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(Cl)cc2F)C1 257202275 ALCYIJQQHZAKQX-VWPQPMDRSA-N 407.888 5.742 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 408637593 APXHNKZFBQSSAD-JTQLQIEISA-N 417.214 5.004 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)cc3C)n2)cc1 408693713 CIHMRPFCEZRIHF-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(Cl)cc2)c1 408694322 IZZBPTXDQXJSSY-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(Cl)cc2)c1C 408695685 SDIVIXGUCXAXTH-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(C)c(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)c1 409109296 BDJZOYGKLGKNHH-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)Nc1ccccc1 409410479 NGSFRAPNOACRQB-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB COC(=O)[C@@H](C)c1ccc([C@H](O)CC(C)(C)C)c(-c2ccc(C(F)(F)F)cc2)c1 575362706 OIMSINFCTJBCIN-VBKZILBWSA-N 408.460 6.119 0 40 HKAB O=S(=O)(c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1)N1CCCCCC1 606422218 ALSGVBJJWMLYOJ-UHFFFAOYSA-N 416.930 5.227 0 40 HKAB CC(C)CC[C@H](O)[C@@](C)(O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C 1529051562 ISBSSBGEYIBVTO-SNTKJXKWSA-N 418.662 5.474 0 40 HKAB O=C(Nc1nc2ccccc2s1)c1ccc(Br)cc1Br 682430 YUZZQELKTVGDPI-UHFFFAOYSA-N 412.106 5.074 0 40 HKAB Clc1ccc(OCc2nnc(SCc3ccc(Cl)cc3Cl)o2)cc1 888328 AHURGHMNJIQTMR-UHFFFAOYSA-N 401.702 5.901 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3cn4cccc(C)c4n3)c2)cc1C 936127 QNUFUJHYQAVXFY-UHFFFAOYSA-N 405.523 5.036 0 40 HKAB O=C(Oc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(Cl)cc1Cl 938137 CBNUEKGBAQZMQP-UHFFFAOYSA-N 412.228 5.013 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccc(Cl)c1Cl 1042426 QVPYXDGXPIEOKB-UHFFFAOYSA-N 416.091 6.516 0 40 HKAB O=C(CSc1nc(Cc2cccs2)nc2ccccc12)c1ccc(Cl)cc1 1342827 YMASDRSFALUANA-UHFFFAOYSA-N 410.951 5.911 0 40 HKAB COc1ccc(-c2ccc3cc(Br)cc(Br)c3n2)cc1OC 1384491 MFTWGTDNMDIUHH-UHFFFAOYSA-N 423.104 5.444 0 40 HKAB COc1ccc(COc2ccsc2C(=O)Nc2ccc(Br)cc2)cc1 1400562 RIRATKYZPATJBO-UHFFFAOYSA-N 418.312 5.351 0 40 HKAB COc1ccc(C(=O)Oc2ccc3c(=O)c(-c4ccc(OC)cc4)c(C)oc3c2)cc1 1463934 DPNMLJOGXRWRRM-UHFFFAOYSA-N 416.429 5.005 0 40 HKAB biogenic O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1cccc2c1Cc1ccccc1-2 1717008 AFGOSELNKWIUKI-UHFFFAOYSA-N 405.453 5.875 0 40 HKAB CC(C)(C)c1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)cc1 1769007 LPDHXFHRGMPUKK-UHFFFAOYSA-N 421.466 7.357 0 40 HKAB C=Cc1ccc(COc2ccc3c(=O)c(Oc4ccccc4OCC)coc3c2)cc1 2103908 DAPSMCCAUSYMHQ-UHFFFAOYSA-N 414.457 6.206 0 40 HKAB biogenic CCCSc1nc2c(c(=O)n1C1CCCCC1)C1(CCCCC1)Cc1ccccc1-2 2270555 WOEFLLUARDURGS-UHFFFAOYSA-N 422.638 6.676 0 40 HKAB CSc1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)cc1 2361401 PIHHKHQKNUZSFP-UHFFFAOYSA-N 411.357 7.439 0 40 HKAB O=c1c(-c2ccccc2)c(C(F)(F)F)oc2cc(OCc3ccccc3F)ccc12 2402752 LOFYLZUNTVBVLB-UHFFFAOYSA-N 414.354 6.197 0 40 HKAB biogenic CCCCc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2CC)cc1 2454184 GESHFTYRYJFJLL-UHFFFAOYSA-N 408.571 5.347 0 40 HKAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 2465903 KNHCKZGLNOUXNF-QGZVFWFLSA-N 424.520 5.079 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2ncnc3ccccc23)c2ccccc2)c1 3295455 ABVSNZGOMLDHEJ-QFIPXVFZSA-N 413.502 5.305 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)COc2ncnc3scc(-c4ccc(C)cc4)c23)c1C 3377122 HLAHHARLACHUMW-UHFFFAOYSA-N 419.506 5.076 0 40 HKAB COc1ccc(CCC(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1 4063102 WGPPSGHYPMVOHL-UHFFFAOYSA-N 403.507 5.247 0 40 HKAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c2CCCC3)c(C)c1 4276373 RPHUYDGTTUWWRH-UHFFFAOYSA-N 403.551 5.370 0 40 HKAB COc1ccccc1N1CCN(CCCCCCOc2cc(C)ccc2Cl)CC1 4794817 KRZBQPMKEXAIBT-UHFFFAOYSA-N 416.993 5.418 0 40 HKAB Cc1ccc(-n2nc(-c3ccccc3)c3cnc4ccc(Br)cc4c32)cc1 4969906 KKLXDQMDMZVHHF-UHFFFAOYSA-N 414.306 6.312 0 40 HKAB C[C@@H]1C[C@@H](C)CN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn23)C1 4980559 SRFANEDEAKQHCV-QZTJIDSGSA-N 400.501 5.685 0 40 HKAB O=C(COc1ccccc1)c1cn(CCCOc2ccccc2Cl)c2ccccc12 6045618 GHFBLLANSAZUEP-UHFFFAOYSA-N 419.908 6.026 0 40 HKAB COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1ccc(C)cc1)oc1ccccc12 6431322 LYKSOLSEADSODX-OAHLLOKOSA-N 403.434 5.087 0 40 HKAB C[C@@H](Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)N(C)Cc1ccccc1 6509067 TUESFOUDBONRGR-SLFMHBNRSA-N 402.582 5.613 0 40 HKAB C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)Nc1cc(Cl)ccc1Cl 6558394 SFMHJQPNLVBGAN-YGNAEDSMSA-N 415.276 5.125 0 40 HKAB Cc1ccc(OCCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1 6752561 HQFGCXKNNDFCBK-UHFFFAOYSA-N 419.569 5.053 0 40 HKAB Cc1ccc(CNc2nc3cc(Cl)c(Cl)cc3nc2-n2nc(C)cc2C)cc1 6823057 JSFYRCDMKJHFFB-UHFFFAOYSA-N 412.324 5.660 0 40 HKAB Cc1csc(-c2ccc(OCC(=O)Nc3ccccc3Cc3ccccc3)cc2)n1 7995372 QULIINJTYORLJH-UHFFFAOYSA-N 414.530 5.727 0 40 HKAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8314639 DWEDULGVRIZVDK-KRWDZBQOSA-N 419.575 5.748 0 40 HKAB COc1cc(C)c(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1C(C)C 8333722 GQQYKFZAROVHDO-SRZZPIQSSA-N 406.507 5.235 0 40 HKAB O=C(CN(C1=NCCCCC1)c1cccc(Cl)c1)c1ccc(Br)cc1 8418247 KBNPYVPMILVNJR-UHFFFAOYSA-N 419.750 5.764 0 40 HKAB Cc1cccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(Cl)cc2)c1C 8476604 HJLMWYXHADSPDM-UHFFFAOYSA-N 408.933 5.267 0 40 HKAB Cc1ccc(C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)c(O)c1 9021771 XIJZNEWGWSCQME-UHFFFAOYSA-N 423.079 5.110 0 40 HKAB Cc1csc(SCc2c(C(=O)N[C@H](C)c3ccccn3)oc3ccccc23)n1 9613835 NXXBEZCOMHQRLD-CQSZACIVSA-N 409.536 5.376 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1 10362612 CKABYIQMAVPXMM-UHFFFAOYSA-N 422.550 5.391 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)c1ccccc1OCc1cn2cccc(C)c2n1 11373844 VRQBRYNJHKLIOV-UHFFFAOYSA-N 405.885 5.436 0 40 HKAB O=C(NCCSC12CC3CC(CC(C3)C1)C2)C(c1ccccc1)c1ccccc1 12376008 WXHWLTPTZBKOBR-UHFFFAOYSA-N 405.607 5.637 0 40 HKAB O=C(CCc1c[nH]c2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCCC1 12523044 SQWBHQMGAMXJJY-UHFFFAOYSA-N 401.432 5.358 0 40 HKAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 12659078 DVOGGEQCAROEMA-IYBDPMFKSA-N 423.354 6.067 0 40 HKAB CC(C)C/C=C\[C@H](C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)C1 13408893 XBGUSQBSWPZOOX-MUEZKYNXSA-N 414.630 6.229 0 40 HKAB C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1c(F)cccc1Cl 13564220 RWYJGBVEFUSHPD-HNNXBMFYSA-N 407.876 5.368 0 40 HKAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2)o1 13751749 GQAIFZKRTCDEPV-WFASDCNBSA-N 411.955 5.627 0 40 HKAB O=C1c2ccccc2[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1C1CCCCC1 13942339 YLDSOIMEBCUVJL-HHHXNRCGSA-N 406.529 6.713 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccc(Cl)cc2Cl)o1 14241023 SJMJJOYMRUZNJQ-UHFFFAOYSA-N 402.237 5.586 0 40 HKAB Oc1ccc(C(c2ccc(O)cc2)(c2ccc(C(F)(F)F)cc2)C(F)(F)F)cc1 15442328 FAJNBUWLSYLTGH-UHFFFAOYSA-N 412.329 6.013 0 40 HKAB C[C@@H](Oc1ccc(Br)cc1Br)c1nc2ccccc2s1 19897690 QGNKENHICPCKAL-SECBINFHSA-N 413.134 5.961 0 40 HKAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccc2c(Cl)cccc12 20139002 RKYQVWBGRUIHPZ-UHFFFAOYSA-N 412.272 6.151 0 40 HKAB Cc1cc(Nc2ccccc2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 21150368 FYFKCEAKUACBOM-UHFFFAOYSA-N 402.807 6.121 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN[C@H](C)c4cccc(Cl)c4)[nH]c(=O)c23)cc1 24984794 PIPBAVNWUPNGRH-CQSZACIVSA-N 423.969 5.773 0 40 HKAB COc1cc(Cl)c(C)cc1-n1c(SCc2cccnc2)nc2ccccc2c1=O 27767808 RNCLMTGYZGDSKH-UHFFFAOYSA-N 423.925 5.043 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1Cl)c1cccc(N2C(=O)CCC2=O)c1 30060989 NGVPKVJEQZYVQF-UHFFFAOYSA-N 420.852 5.038 0 40 HKAB Cc1ccc2[nH]c(SCc3ccc(C(=O)Nc4c(C)cccc4C)cc3)nc2c1 32117649 YCQPIZVSKAJXAV-UHFFFAOYSA-N 401.535 6.033 0 40 HKAB CC[C@H](C)Oc1ccc2ccccc2c1/C=C1/C(=O)N(Cc2ccco2)C(=O)N=C1O 33694426 NYKIWCYKNZXOJP-NPRIEWAGSA-N 418.449 5.112 0 40 HKAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 34888409 UYVILLSOAXKYGB-MFOYZWKCSA-N 421.305 5.188 0 40 HKAB CC[C@@H]1CCc2c(c(-c3ccc(F)cc3)nc3c(-c4ccc(Cl)cc4)cnn23)C1 35324682 DSXOAHWWWYWLDO-OAHLLOKOSA-N 405.904 6.371 0 40 HKAB CC[C@H]1CCc2c(c(-c3ccc(F)cc3)nc3c(-c4ccc(Cl)cc4)cnn23)C1 35324685 DSXOAHWWWYWLDO-HNNXBMFYSA-N 405.904 6.371 0 40 HKAB Cc1ccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1Cl 38849686 PHOZUUKAJBJNQH-UHFFFAOYSA-N 421.766 5.262 0 40 HKAB CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cccc(SC)c1 41078105 REMFELHLAOUTFC-UHFFFAOYSA-N 409.555 5.311 0 40 HKAB Cc1ccccc1[C@H](NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1)c1ccccc1 44937731 OEBLEUHGAQJGLD-KDYSTLNUSA-N 412.577 5.746 0 40 HKAB CC(C)c1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2cccs2)cc1 46022318 GOEKTCIXHXBMAM-UHFFFAOYSA-N 411.596 5.715 0 40 HKAB C[C@@H]1c2ccsc2CCN1C(=O)Nc1ccc(F)c(NC(=O)c2ccsc2)c1 47911818 RORBYTXOBVSZDT-GFCCVEGCSA-N 415.515 5.352 0 40 HKAB Cc1nc2cc(NC(=O)c3ccc(OCc4nc(C5CC5)cs4)cc3)ccc2s1 56907823 ODQONWCCZZZXJW-UHFFFAOYSA-N 421.547 5.770 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(NC(=O)c2cccs2)cc1 57315617 BFSFVOWIOUJUEX-FYWRMAATSA-N 414.486 5.912 0 40 HKAB Cc1ccc(COc2cccc3cc(-c4nc(-c5ccc(C)cc5)no4)c(=O)oc23)cc1 57354723 UKBARJITGPXDOY-UHFFFAOYSA-N 424.456 5.706 0 40 HKAB CCc1ccc(C(=O)CSc2ccc(-c3cccc(Br)c3)nn2)cc1 57486362 DCLVDSGOBIOHRN-UHFFFAOYSA-N 413.340 5.444 0 40 HKAB Cc1ccc(-c2cc3c4nnc(SCc5ccc(F)c(F)c5)n4ccn3n2)cc1C 67260656 KRQCQXPYMOFWAL-UHFFFAOYSA-N 421.476 5.231 0 40 HKAB O=S(=O)(c1ccc(F)cc1)c1cnc2ccc(F)cc2c1-c1cccc(Cl)c1 71328627 KVJWFHFLRKGVQV-UHFFFAOYSA-N 415.848 5.666 0 40 HKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@@]21C 95868329 BWGTUWMWTXVUDK-LXVLQKCJSA-N 402.619 6.170 0 40 HKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C3CCCCC3)CC2)n1 100738877 PKTYBYJRRNZIMW-TYKWCNGQSA-N 420.601 5.632 0 40 HKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)CC3CCCC3)CC2)on1 100743812 GQTGSOXEWJKNEF-BGYRXZFFSA-N 424.589 5.534 0 40 HKAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C3C4CC5CC(C4)CC3C5)[C@@H]2C1=O 100827519 JKIGKXZBOSMTRZ-HZEAEFSASA-N 419.952 5.323 0 40 HKAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(c3nc(-c4cc(C)ccc4C)c(C)s3)C(=O)[C@H]12 102632195 WITBSXWGOHCWRG-FVCZOJIISA-N 406.551 5.217 0 40 HKAB CC1=C[C@H](C)[C@H](C2OCC3(COC([C@@H]4[C@@H](C)C=C(C)C[C@H]4C)OC3)CO2)[C@@H](C)C1 108537500 JLEHIYGUDHRGOJ-GOWROUORSA-N 404.591 5.195 0 40 HKAB CC(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 118916197 ZONPAOQEAXCIKO-OWGCKPFFSA-N 422.653 6.568 0 40 HKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 222844781 CZRUNKKFPJPWLK-RPWUZVMVSA-N 412.562 5.406 0 40 HKAB C[C@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc2c(c1)CCC2 223154835 GMUAPFIJZVCXNB-KHCKMINHSA-N 401.937 6.247 0 40 HKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1nnc(SCc2ccccc2)s1 223290341 YAKVXSGFKHPUDG-OAHLLOKOSA-N 413.568 5.360 0 40 HKAB CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3C)c2)cc1 223939882 FKXDWKLMZIWOKM-UHFFFAOYSA-N 422.550 5.391 0 40 HKAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccccc1Cl 224480958 BVYKPLZMCXDBNA-UHFFFAOYSA-N 409.913 5.590 0 40 HKAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccc(C)c(C)c1 224621430 PQCHKMGJRDFZBS-UHFFFAOYSA-N 411.448 5.812 0 40 HKAB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc(Cl)cc1F 224904281 UTENJLJJMWBEAM-UHFFFAOYSA-N 406.309 6.677 0 40 HKAB CC(C)Oc1cccc(NC(=S)NCCSCc2c(F)cccc2Cl)c1 225369398 JADCPHSCEPGCFF-UHFFFAOYSA-N 412.983 5.486 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)CCc2ccc(C)c(C)c2)cc1 225521434 BFFIHQYTYDJSLY-UHFFFAOYSA-N 409.913 6.329 0 40 HKAB O=C(Cc1cccc(Br)c1)Nc1cc(Cl)ccc1Oc1ccccc1 225616079 KWTYLTSHNOWQRW-UHFFFAOYSA-N 416.702 6.076 0 40 HKAB COC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c1C 225768373 GWUVYTPTNZFQQG-QHCPKHFHSA-N 418.562 5.474 0 40 HKAB C[C@H](NC(=O)CCc1nc(-c2cccc3ccccc23)no1)c1ccc(Cl)cc1 225830301 HNQWUAIQEMYYEJ-HNNXBMFYSA-N 405.885 5.353 0 40 HKAB CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CCC2=C3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C 257348055 AWYDNKRGSOPYQB-IAXJZUSTSA-N 400.691 7.779 0 40 HKAB Cc1ccc(NC(=O)CSc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1Cl 408554704 TVBVRAYEQQUGLN-UHFFFAOYSA-N 420.018 6.680 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccc(Cl)cc2)c1 408693769 DEVWDXZGVXXSIC-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(F)cc2)cc1C 408698525 QOZRYGLSODLCHD-UHFFFAOYSA-N 414.484 5.559 0 40 HKAB CCOc1cccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c1 408808189 DZMUMMOCRFKLJJ-ZUZVBVLKSA-N 421.586 6.139 0 40 HKAB O=C(CCC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cc(Cl)cc(Cl)c1 408821797 KHQKUQZTHUCJSZ-UHFFFAOYSA-N 414.288 6.387 0 40 HKAB COc1cc(CNc2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409115430 RPHTVOYZWPBMRD-UHFFFAOYSA-N 411.523 5.000 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@@H](c2ccccc2)N3)c(C)c1 409137202 UOXDFZFLDYZYBJ-GOZGONJHSA-N 422.572 6.852 0 40 HKAB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O 409209574 GPBJMBOAOHIDHS-DEDYPNTBSA-N 409.894 6.133 0 40 HKAB CCN(CC)CCn1c2ccccc2n2cc(-c3ccc(Br)cc3)nc12 1282705 QKUKAUMQYLTFKF-UHFFFAOYSA-N 411.347 5.060 0 40 HKAB COc1ccc(-c2oc(=O)n(Cc3cccc(Cl)c3)c2-c2ccc(OC)cc2)cc1 1426834 UGBXRYOWLPDFLV-UHFFFAOYSA-N 421.880 5.494 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccccc4OC)ncnc32)cc1 1447728 RFXMXBGCYKSVLQ-UHFFFAOYSA-N 422.488 5.848 0 40 HKAB CC(C)Oc1ccc(OCCSc2nc3ccccc3n2Cc2ccccc2)cc1 2050804 PDMKCFSCWGILLB-UHFFFAOYSA-N 418.562 6.043 0 40 HKAB CCc1ccc(N2COc3ccc4c(-c5ccc(OC)cc5)cc(=O)oc4c3C2)cc1 2125870 BSAUHSXSNKKVHC-UHFFFAOYSA-N 413.473 5.388 0 40 HKAB biogenic Clc1ccccc1-c1nnc(SC/C=C/c2ccccc2)n1-c1ccccc1 2442368 BNYXBPRWFSCWQP-FMIVXFBMSA-N 403.938 6.393 0 40 HKAB Cc1ccc(C)c(Cn2nc(-c3ccc(C)c(C)c3)c(C)c2-c2ccc(C)c(C)c2)c1 2733416 IFPHJSQQKZWMQS-UHFFFAOYSA-N 408.589 7.424 0 40 HKAB Cc1ccc(-c2c(C)sc3ncnc(N4CCN(c5ccccc5F)CC4)c23)cc1 2889088 OZMUODWDWVRMHA-UHFFFAOYSA-N 418.541 5.441 0 40 HKAB O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1CCc1ccccc1 2970152 ALLBTHRXRMUPGS-UHFFFAOYSA-N 424.928 5.724 0 40 HKAB Cc1ncsc1CCOC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 3217008 GDLBVWILTHBIBJ-UHFFFAOYSA-N 417.943 5.213 0 40 HKAB O=C(Nc1nc(COc2ccc(Cl)cc2Cl)cs1)c1ccc2c(c1)OCO2 3247548 UCMHAZJRMCCZAA-UHFFFAOYSA-N 423.277 5.010 0 40 HKAB CN(Cc1ccccc1)C(=O)CSc1ncnc2scc(-c3ccccc3)c12 3277716 LVQGXKQZHPYUFO-UHFFFAOYSA-N 405.548 5.109 0 40 HKAB CCN(C(=O)CSc1ncnc2sc(C)c(C)c12)c1cccc2ccccc12 3286367 HTFLMYUQRTTXAG-UHFFFAOYSA-N 407.564 5.607 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](N[C@H]1CCCc2ccccc21)c1ccccc1 3323114 MMMCGYFIOQKTDP-DHLKQENFSA-N 400.522 5.351 0 40 HKAB Cc1ccc2c(CSc3ncnc4sc5c(c34)CCCC5)cc(=O)oc2c1C 3339263 UMRDQSHWMATHFZ-UHFFFAOYSA-N 408.548 5.586 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(SCc4ccccc4)ncnc32)cc1 3658741 AXXCWTZVESYSEQ-UHFFFAOYSA-N 423.541 6.388 0 40 HKAB O=[S@](CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(F)cc1 4040702 NQLMFYOZGSVABW-SANMLTNESA-N 409.309 5.176 0 40 HKAB O=C(C[C@H](SCc1ccc(Cl)cc1)C(=O)O)c1ccc(Br)cc1 4118248 JZIBSIXNDLQNLM-INIZCTEOSA-N 413.720 5.062 0 40 HKAB Cc1nc2c(ccc3nc(NC(=O)C(c4ccccc4)c4ccccc4)sc32)s1 4174130 ZEXONMLNHPQCBG-UHFFFAOYSA-N 415.543 5.985 0 40 HKAB aggregator Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@H]4C[C@@H](C)CC[C@@H]4C(C)C)cc3C2=O)cc1 4175051 CSOLZNRRMSQPLG-WGGBDISSSA-N 419.521 5.413 0 40 HKAB Cc1ccc(-c2csc(N(CCc3ccccc3)C(=O)c3cccc(C)c3)n2)cc1 4214820 RPEAPSZNKXQNLR-UHFFFAOYSA-N 412.558 6.316 0 40 HKAB CCOC(=O)c1ccc(N2C(=O)c3ccccc3[C@@H]2c2c(C)[nH]c3ccccc23)cc1 4738942 NYBSMHDHQGZYOU-XMMPIXPASA-N 410.473 5.403 0 40 HKAB O=C(/C=C\c1ccccc1)N[C@@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl 5003585 TUYHAQLWLNYJGE-SNGWPZLWSA-N 405.108 5.245 0 40 HKAB CCCCCCn1c([C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)nc2ccccc21 5235752 YEWMLNWGPCZCIC-LJQANCHMSA-N 405.542 5.536 0 40 HKAB Cc1cccc(C)c1NC(=O)[C@@]1(c2cccs2)CC(=O)N1c1ccc(Cl)cc1 5451540 OXDNGNLIGSHCDR-QFIPXVFZSA-N 410.926 5.289 0 40 HKAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(CSc2ccc(Cl)cc2)cc1 6232057 PBFGJYNPNOLMLR-QHCPKHFHSA-N 407.966 6.440 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1Cc3ccccc3[C@@H]21 6548799 SABWOVREXJFSPA-DZFGPLHGSA-N 410.300 6.163 0 40 HKAB Brc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)o1 6732343 FNXJOKNQOLXZFP-ACJLOTCBSA-N 401.285 5.346 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nncn1-c1ccccc1)c1ccccc1 6816413 KXGISXLMHNVJAO-QHCPKHFHSA-N 410.502 5.465 0 40 HKAB O=C(c1c2oc(-c3ccc(Br)cc3)ccc-2c2ccccc12)C(F)(F)F 8445465 JKYJTZFOZJZVQD-UHFFFAOYSA-N 419.196 6.712 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccnc2)cc1 8742976 HAIJNCQEPHOXLB-RBBKRZOGSA-N 420.310 5.395 0 40 HKAB COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3cc(C)ccc3C)cc2O)cc1 8744206 OAXPRKAITOBDBW-UHFFFAOYSA-N 416.477 5.779 0 40 HKAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(F)c(F)c3)cc21 8959977 GBQUSBURVAKKRW-UHFFFAOYSA-N 416.468 5.015 0 40 HKAB Cc1nc(-c2ccccc2)c(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)s1 9049318 UCXGWFXKPBEWFC-KRWDZBQOSA-N 419.575 5.748 0 40 HKAB CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccc(Cl)cc1 9072242 MKXAZSJXGHJWOD-UHFFFAOYSA-N 422.941 5.502 0 40 HKAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(Br)s1 11852789 LKHMBNYIXAKGMC-UHFFFAOYSA-N 422.325 5.278 0 40 HKAB O=C(CSc1nc(-c2ccccc2)c[nH]1)N1c2ccccc2Sc2ccccc21 12615720 VZEXJWAVFAUGPK-UHFFFAOYSA-N 415.543 5.998 0 40 HKAB Cn1c(C[C@H](NC(=O)c2ccccc2C(F)(F)F)c2ccccc2)nc2ccccc21 12628146 WXMYGSOYVLPYFZ-FQEVSTJZSA-N 423.438 5.306 0 40 HKAB O=C(Nc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1cccc2ccccc12 12635469 PNDVOOOMHVCBTR-UHFFFAOYSA-N 422.463 6.476 0 40 HKAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccc(/C=C/c2ccccn2)c1 12641285 OITSEAOJEAGRPG-VAWYXSNFSA-N 402.542 5.293 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1OCc1cscn1 12991813 KXWWKXVDGLOMFI-UHFFFAOYSA-N 402.475 5.767 0 40 HKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(C2CCCCC2)cc1 13002814 CJFGTZAJGXHBOT-UHFFFAOYSA-N 419.352 5.752 0 40 HKAB CC1(C)CSC(N(CC(=O)c2ccc(Br)cc2)c2ccccc2)=N1 16739901 YUOVXVOQJARJBZ-UHFFFAOYSA-N 403.345 5.020 0 40 HKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(SCc4ccccc4C)ncnc32)c1 16757693 YRAZPORURDAUBH-UHFFFAOYSA-N 421.569 6.997 0 40 HKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cccnc1Cl 17087790 TWOXGSSMYRGURI-UHFFFAOYSA-N 407.857 5.421 0 40 HKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 17088268 LLBINDAYZWTTLN-XMMPIXPASA-N 409.489 5.334 0 40 HKAB Cc1cccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc4ccccc4c3)s2)c1 17135521 FDPTZUOPXHYNPF-UHFFFAOYSA-N 422.575 5.101 0 40 HKAB C/C(=C\c1ccccc1)CN1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 19014376 LBQAWOAUZJZLPY-OPZIHHCNSA-N 405.586 5.101 0 40 HKAB Cc1cccc(C)c1NC(=O)CCCSCCC(=O)Nc1ccccc1Cl 27186039 FPOHSBSYQLIICO-UHFFFAOYSA-N 404.963 5.438 0 40 HKAB COc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)c(C)nn23)cc1 27584998 IYTJYKWUQAREDF-UHFFFAOYSA-N 406.489 6.124 0 40 HKAB Cc1ccc(-c2ccc(-c3csc(NC(=O)COc4ccccc4)n3)s2)cc1 27913687 UVELLLAILAACJT-UHFFFAOYSA-N 406.532 5.865 0 40 HKAB CC(C)n1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1cc2ccccc2o1 28211377 WZQZMJLQGYEIDB-RDJZCZTQSA-N 412.559 5.059 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 30940201 NPROORBLGXPMRY-UHFFFAOYSA-N 421.368 5.631 0 40 HKAB Cc1sc2c(c1C)c1nc(-c3ccccc3)nn1c(=O)n2Cc1ccc(Cl)cc1 32074562 WZNLDKKBCJJRKO-UHFFFAOYSA-N 420.925 5.091 0 40 HKAB O=C(C1CCN(Cc2ccccc2F)CC1)N(Cc1ccccc1)Cc1ccccc1 39755286 KIACNCOQGKRKIO-UHFFFAOYSA-N 416.540 5.267 0 40 HKAB CCOc1ccccc1CNC(=O)c1ccc(OCCSc2ccccc2)cc1 44845985 JFWAGOQBDRTACI-UHFFFAOYSA-N 407.535 5.186 0 40 HKAB CCc1cccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)o2)c1 45943245 KOPHDCNEPRQSRA-UHFFFAOYSA-N 417.328 5.397 0 40 HKAB C[C@]1(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)CC1(Cl)Cl 69004251 CYLBERUSNKOPMB-MGPUTAFESA-N 421.755 5.653 0 40 HKAB CC[C@](C)(NC(=O)c1ccccc1)c1nc(-c2ccccc2OC(F)F)cs1 78999378 AWVJANWZWLRZGR-NRFANRHFSA-N 402.466 5.467 0 40 HKAB FC(F)(F)c1cc(-c2cccs2)nc(SCc2c(Cl)cccc2Cl)n1 82086896 LNRCBAWSYUTHJL-UHFFFAOYSA-N 421.296 6.823 0 40 HKAB CC(C)COc1cccc(OCC(=O)N2c3ccccc3CCc3ccccc32)c1 95348920 WAVLNODTRAZOBB-UHFFFAOYSA-N 401.506 5.564 0 40 HKAB COc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 107041860 VOHOYRXMSUHQDI-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccccc1 107042976 XWOQFQDHAKMGIX-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C([C@@H](C)OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 118934213 MCTOSEWKAVRIKS-IVRMIFBVSA-N 400.559 5.369 0 40 HKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(Cc4ccccc4)c3C)N21 222694249 LEFCVQTYQVQHSP-NKKJXINNSA-N 416.594 5.528 0 40 HKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C)c(C)c3)N21 222709930 XEXKKSRWECLJEF-CDNPAEQRSA-N 402.567 5.469 0 40 HKAB COc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1COC(C)C 224428439 URVPJLHPOPLHCE-UHFFFAOYSA-N 403.522 5.463 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224925772 CSDLCXQHJYIFNQ-UHFFFAOYSA-N 406.844 6.362 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225108354 SPOQUOKOMDMPSC-LJQANCHMSA-N 406.507 5.032 0 40 HKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 225124631 ISNSPBSHGKHFRN-FCHUYYIVSA-N 422.613 5.383 0 40 HKAB Fc1cccc(F)c1NC(=S)NCCSCc1ccc(Cl)c(Cl)c1 225345636 YFODFLSKVOXCDW-UHFFFAOYSA-N 407.338 5.491 0 40 HKAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1Cl 225535827 FWGXGYDRKVJVKJ-QGZVFWFLSA-N 401.934 5.594 0 40 HKAB COc1ccc(C2(NC(=S)Nc3ccc(C(F)(F)F)cc3)CCCC2)cc1OC 225859387 VUXSHPYICQISNQ-UHFFFAOYSA-N 424.488 5.479 0 40 HKAB COc1ccc(C2(NC(=S)Nc3ccc(OC(C)C)cc3)CCCC2)cc1OC 225867181 UWQNPGPWIBVYIU-UHFFFAOYSA-N 414.571 5.247 0 40 HKAB CCOc1cc(-c2nnc(N)o2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 226325635 DMKQCUJCNVUQSU-UHFFFAOYSA-N 414.676 5.257 0 40 HKAB COc1ccc(CCN2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)cc1 257213161 CGKNGGUNYZBLNS-HSZRJFAPSA-N 420.984 5.757 0 40 HKAB COc1cccc2c1CCC[C@@H]1O[C@@H]3c4cc(CC(=O)O)ccc4OC(C)(C)[C@H]3C[C@@H]21 257281924 ORMYZCDHCWJKNA-XZFMWLAQSA-N 422.521 5.060 0 40 HKAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 408557854 HXGZAKMMBVIIBX-UHFFFAOYSA-N 417.914 5.119 0 40 HKAB COc1cc(C(=S)NCc2ccco2)cc(Cl)c1OCc1ccc(Cl)cc1 408578324 XMTKZVRZTZPVJI-UHFFFAOYSA-N 422.333 5.639 0 40 HKAB Cc1cccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)c1C 408621564 ORHWZOWVROYQPI-UHFFFAOYSA-N 402.881 5.698 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(F)cc2)nc1-c1cccc(Cl)c1 408694777 MKPAYEXUIDRDFR-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB CC(C)N(C(=O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)C(C)C 408976931 HBCIBQWYJRVJRN-UHFFFAOYSA-N 411.509 5.013 0 40 HKAB Cc1cccc(-n2c(SCCOc3ccccc3)nnc2-c2ccc(Cl)cc2)c1 409104667 DKFTURWNIMLEJO-UHFFFAOYSA-N 421.953 6.067 0 40 HKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1Cl 409266635 QQMDGFJBEPPHMQ-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB CC[C@H]1[C@@H](O)[C@@H]2[C@H]3CC[C@@H]([C@H](C)CCC(=O)O)[C@]3(C)CC[C@H]2[C@@]2(C)CC[C@H](O)C[C@H]12 504760866 ZXERDUOLZKYMJM-KONNLBBESA-N 420.634 5.114 0 40 HKAB COc1cccc2cc(-c3ncc(-c4ccc(Cl)c(Cl)c4)s3)/c(=N/O)oc12 1775966610 PCQRRECCBKSZQC-NKFKGCMQSA-N 419.289 5.829 0 40 HKAB COc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)n2)cc1 646394 ORQHQSUCABGKTQ-CYBMUJFWSA-N 402.903 5.187 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)CC(C)C)ccc3o2)cc1Cl 678891 NIZFDYPGXDQCPG-UHFFFAOYSA-N 401.919 5.316 0 40 HKAB Cc1cccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)c1 715950 ZPTIEZOOIFCELZ-UHFFFAOYSA-N 403.507 5.578 0 40 HKAB O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccccc2)N1c1cccc(C(F)(F)F)c1 843890 QGVMZODZFSNDHL-JOCHJYFZSA-N 419.406 5.845 0 40 HKAB aggregator CC[C@@H](C)OC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 957133 FKSWYWNYTCUEEX-IAGOWNOFSA-N 410.466 5.311 0 40 HKAB CC(C)(C)c1ccc(S(=O)(=O)N(C2=NCCCS2)c2ccccc2Cl)cc1 1327893 BVLVRDJFVPHLEJ-UHFFFAOYSA-N 423.003 5.326 0 40 HKAB COc1ccc(CN(Cc2ccccc2)C(=S)Nc2ccc(F)cc2)cc1OC 1437215 WGGIJTBMWNGQCJ-UHFFFAOYSA-N 410.514 5.242 0 40 HKAB CCc1cccc(C)c1N(C(=O)Cn1c(CC(C)C)nc2ccccc21)[C@@H](C)COC 1470658 JCXOHJHUUOSSNL-FQEVSTJZSA-N 421.585 5.174 0 40 HKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccccc2C)cc1C 2204011 TVGWFZUBQGNHHW-UHFFFAOYSA-N 423.516 5.385 0 40 HKAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccccc1 2265533 QOAGYTJZVXSXHX-PWUYWRBVSA-N 408.482 5.892 0 40 HKAB COC(=O)c1cc(C)cc(C(=O)OC)c1N1c2ccccc2Sc2ccccc21 2372086 DLLZAODUNHFBOO-UHFFFAOYSA-N 405.475 5.503 0 40 HKAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccccc1OC 2399401 DTKJEXGVKNSGFX-NGQVCNFZSA-N 424.481 5.512 0 40 HKAB Cc1oc2ccc(NS(=O)(=O)c3cccc4ccccc34)cc2c1C(=O)OC(C)C 2503435 QNPHLWWMBLLXFD-UHFFFAOYSA-N 423.490 5.260 0 40 HKAB CCN(C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12)c1ccccc1 2617253 UBRGTOOGBCHDFK-UHFFFAOYSA-N 417.509 5.581 0 40 HKAB Cc1ccc(-c2csc3ncnc(N4CCC(Cc5ccccc5)CC4)c23)cc1C 2890854 CVXMHOMTGNXLSH-UHFFFAOYSA-N 413.590 6.434 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc1 3139161 PNQVOOCVBLAMQK-UHFFFAOYSA-N 404.897 6.698 0 40 HKAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccc(F)cc1Cl 3217025 IINBDEIZNXUQSU-UHFFFAOYSA-N 424.815 5.083 0 40 HKAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1C 3272250 FKSLEQPSFNYLPG-UHFFFAOYSA-N 417.292 5.208 0 40 HKAB CCN(CC)c1ccc(C(=O)O[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc1 3273443 DHUMJPNZVNDZLF-AREMUKBSSA-N 415.533 5.931 0 40 HKAB O=C(OCc1cccc(C(F)(F)F)c1)c1cc(-c2cccs2)nc2ccccc12 3326063 PYJHGDBJILVSHO-UHFFFAOYSA-N 413.420 6.339 0 40 HKAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)o1 3613982 ZHQBVRLLYNDAGB-UGSOOPFHSA-N 400.931 5.675 0 40 HKAB Cc1ccc(C(=O)Oc2ccc(/C=C3/N=C(c4ccc(Cl)cc4)OC3=O)cc2)cc1 3669823 ICYWALCIQPPSRO-KGENOOAVSA-N 417.848 5.212 0 40 HKAB COc1ccc(CN(CC[C@@]2(Cc3ccccc3)CCOC(C)(C)C2)C(C)C)cc1 4025199 ORDANFJUNVLVQI-MHZLTWQESA-N 409.614 6.114 0 40 HKAB biogenic Brc1cc(Br)c2ncc(-c3ccc4ccccc4n3)cc2c1 4081520 BYVRCDOUYJVDGE-UHFFFAOYSA-N 414.100 5.975 0 40 HKAB biogenic CCc1cccc2c(SCC(=O)Nc3cccc(C)c3)nc(-c3ccccc3)nc12 4349668 ODGXIZJUZQRVFL-UHFFFAOYSA-N 413.546 5.898 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 4596913 DNCBEYZHBFNPPS-UHFFFAOYSA-N 406.486 5.184 0 40 HKAB O=C(/C=C\c1ccccc1)N[C@H](Oc1ccccc1Cl)C(Cl)(Cl)Cl 5003584 TUYHAQLWLNYJGE-BLIJAFNYSA-N 405.108 5.245 0 40 HKAB COc1cccc2c1N=c1c(Cl)c3c(c(Cl)c1O2)=Nc1c(OC)cccc1O3 5208823 IAFABEPPRHQVJW-UHFFFAOYSA-N 415.232 5.125 0 40 HKAB CC(C)(C)c1ccc(COc2ccsc2C(=O)Nc2ccc(F)c(F)c2)cc1 5383874 VELKCMRTEYNADB-UHFFFAOYSA-N 401.478 6.155 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1ncnc2sccc12)c1ccccc1 6115327 VDUIMZLLEYKUSW-FQEVSTJZSA-N 401.516 5.889 0 40 HKAB Fc1ccccc1COc1ccc(Br)cc1C(=S)N1CCCCC1 6227067 QRKJVLQXKKGDAU-UHFFFAOYSA-N 408.336 5.329 0 40 HKAB COc1ccc(-c2nc(COC(=O)c3c4c(nc5ccccc35)CCC4)cs2)cc1 6607579 UJRRRUBHVZDHFX-UHFFFAOYSA-N 416.502 5.213 0 40 HKAB COc1cccc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(Cl)cc2)c1 6786927 NVIVHCDHHUEAFE-HSZRJFAPSA-N 415.880 5.489 0 40 HKAB Cc1cccc(OCC(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1 6860488 KCOJSEHHEVWDCQ-UHFFFAOYSA-N 414.509 5.178 0 40 HKAB O=C(COc1c(Cl)cc(CNc2ccccc2)cc1Cl)Nc1ccccc1 7095708 KNDFOUUQUXMSMZ-UHFFFAOYSA-N 401.293 5.623 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)N1CCC[C@H]2CCCC[C@@H]21 7772287 GOLAWBFGSKSVEB-GCJKJVERSA-N 417.578 5.570 0 40 HKAB COc1ccc(CN(C)c2ncnc3cc(-c4ccc(F)cc4)sc23)cc1OC 7986769 CNSNKVZCALGZAY-UHFFFAOYSA-N 409.486 5.151 0 40 HKAB Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3ccncc3)ccc12 8442500 BJYSWFGXDXGAAA-UHFFFAOYSA-N 414.412 5.212 0 40 HKAB Cc1cccc(C)c1-n1nnnc1[C@H](Nc1cccc(C(F)(F)F)c1)c1ccccc1 8694854 RGHUSJQJUIMTEV-HXUWFJFHSA-N 423.442 5.499 0 40 HKAB CC(C)Cc1ccc([C@H](C)c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)cc1 8782719 QZNUUOBVPHIGSO-WEKSBHCLSA-N 423.626 6.043 0 40 HKAB Cc1cc2nc(-c3cccc(NC(=O)CSc4ccc(Cl)cc4)c3)oc2cc1C 8830849 TXWXIQJBWWZCDY-UHFFFAOYSA-N 422.937 6.496 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 9107383 DRGVZZAOHGZWDG-UHFFFAOYSA-N 414.505 5.206 0 40 HKAB Cc1ccc(COc2ccc(Br)cc2/C=C2/C(=O)Nc3ccccc32)cc1 9296348 ILFQYCDNZKGDNS-DEDYPNTBSA-N 420.306 5.829 0 40 HKAB Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 9462801 LUGPQDRNVXUTHG-UHFFFAOYSA-N 419.453 5.878 0 40 HKAB C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)NC(c1ccccc1)c1ccccc1 12609337 BUGFFRLHODBHOS-HNNXBMFYSA-N 416.468 5.487 0 40 HKAB CC(C)c1noc([C@H](C)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)n1 13008895 QBEISPFSVKFZAC-HNNXBMFYSA-N 403.511 5.565 0 40 HKAB O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCC1 13856361 SPDMCAXJCVYNEN-UHFFFAOYSA-N 402.947 5.087 0 40 HKAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cccc(C)c3)n2CC)cc1 13871538 ZZKDOMCZRHTFCY-KRWDZBQOSA-N 424.570 5.040 0 40 HKAB COc1cccc([C@H](N[C@H](c2ccccc2)c2cccc(OC)c2)c2ccccc2)c1 14001784 MJCIFWVHUKSYLK-VSGBNLITSA-N 409.529 6.172 0 40 HKAB CCc1ccc(Cl)c(CC)c1NC(=O)C1C[C@@H]2CC[C@H](C1)C21SCCS1 14229463 VFUSFNHXTLWWDY-MQVJKMGUSA-N 410.048 6.016 0 40 HKAB CCOC(=O)c1c(C)n(Cc2ccc(C(C)C)cc2)c2c1cc(O)c1ccccc12 16683033 ZCJNSGHQBZVRMT-UHFFFAOYSA-N 401.506 6.157 0 40 HKAB COc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2cccc(C)c2)cc1 16788985 SZJRHKNNCNPEGR-UHFFFAOYSA-N 421.953 6.197 0 40 HKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4C)nc3c2)c1 17090362 APMXHYUOHRTWRJ-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)COc4ccc5ccccc5c4)ccc3o2)c(C)c1 17093072 ZFKJYDKOCMHXTN-UHFFFAOYSA-N 422.484 6.282 0 40 HKAB c1ccc(C[C@@H](NCCN[C@H](Cc2ccccc2)c2ccccc2)c2ccccc2)cc1 19365882 MLOAIMHDNLNGIR-LOYHVIPDSA-N 420.600 6.134 0 40 HKAB Cc1noc2nc(C3CCN(C(=O)[C@H](C)c4ccccc4)CC3)cc(C(F)(F)F)c12 19564480 GASMJWFSQKNBNJ-CYBMUJFWSA-N 417.431 5.060 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20139196 TXDMLHPNXYFMLJ-UHFFFAOYSA-N 407.853 5.506 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 20459113 SSNOWIMLXCJHCE-DEOSSOPVSA-N 422.956 5.308 0 40 HKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c1 20610958 FMKRHMCLDDHBHT-QGZVFWFLSA-N 400.482 5.159 0 40 HKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)oc2cc1C 21578725 GKZLQWTWAICQML-UKTHLTGXSA-N 424.544 7.195 0 40 HKAB C[C@H]1Sc2ccc(C(=O)N(CCc3ccccc3)Cc3ccccc3)cc2NC1=O 23078856 RZJUTABBLLSZOL-GOSISDBHSA-N 416.546 5.004 0 40 HKAB COc1ccc([C@@H]2CCCN2C(=O)c2cc3cc(Cl)ccc3nc2C)cc1OC 25617668 PFYAPILNQPSIHG-FQEVSTJZSA-N 410.901 5.191 0 40 HKAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc(Br)cc1 27746959 PUVYZYZKZUPNQQ-HXUWFJFHSA-N 419.322 5.492 0 40 HKAB CC(C)c1noc([C@@H](C)Sc2ncnc3scc(-c4ccc(F)cc4)c23)n1 27780111 HPHJRVPZHLUUNI-LLVKDONJSA-N 400.504 5.857 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(OCCSc2ccccc2)cc1 30862275 LTQLHXFOOUJYTM-UHFFFAOYSA-N 405.563 6.542 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 30869140 TUQZBGCLKUBLBA-KIJZHVTOSA-N 405.925 6.157 0 40 HKAB CN(Cc1nc2ccccc2s1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 32740968 IXTAHPIKRIIKLW-QFIPXVFZSA-N 404.560 5.788 0 40 HKAB COc1ccc(CN2CCCC[C@@H]2C[C@H](NC(=O)CC(C)(C)C)c2ccccn2)cc1 36734740 LZRSCGNUDVLUTL-QPPBQGQZSA-N 423.601 5.129 0 40 HKAB O=C(NCCSc1ccccc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38836552 YKIHPNWLCCPZOW-UHFFFAOYSA-N 423.409 5.114 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)c(OC)c1 57315806 CPXZUIAXDBMAAQ-UHFFFAOYSA-N 422.868 5.726 0 40 HKAB Cc1ccc2oc(C(=O)Nc3ccc(NC(=O)CN4CCCCC4)c(C)c3)c(C)c2c1 57775323 OYEBMWZIWKDELG-UHFFFAOYSA-N 419.525 5.035 0 40 HKAB C[C@@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1cccc(Cl)c1 58245632 BJFDODWYWNZIBJ-MRXNPFEDSA-N 405.885 5.058 0 40 HKAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1nc(-c2ccc(C)cc2)no1 72277184 JUDSVFLBUAYWTP-FGZHOGPDSA-N 403.526 5.162 0 40 HKAB CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccc(Cl)cc1 72328532 QXHZWDQRGACXRC-UHFFFAOYSA-N 402.325 5.636 0 40 HKAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2cccc(Cc3ccccc3F)n2)cc1 72357892 PVIJLOGRLKFJLG-RUZDIDTESA-N 418.512 5.116 0 40 HKAB CCCCn1cnc2c(c1=N)[C@H](c1ccc(OC)cc1)c1c(ccc3ccccc13)O2 101141214 ACKZCVGEDJSVCU-JOCHJYFZSA-N 411.505 5.610 0 40 HKAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1Oc1ccccc1 223439761 KKFKRYRIUXEIJX-UHFFFAOYSA-N 405.928 5.655 0 40 HKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 223784885 YXGYGPANIJRTAS-MOPGFXCFSA-N 415.971 5.372 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cc2)cc1 224210387 KEEJAJKQDYIUNG-RPBOFIJWSA-N 424.573 5.666 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1cc(C)cc(C)c1 224534371 ISEJYMNOLPWWGP-UHFFFAOYSA-N 419.521 5.850 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccccc1C(C)C 224562878 MQRHCMGIMMKAIN-UHFFFAOYSA-N 417.549 6.026 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(CSc2ccccc2)cc1 225325568 MOAJVDUCQUXJQT-UHFFFAOYSA-N 416.373 6.857 0 40 HKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(C(=O)O)o3)cc2)cc1 226355214 CKOOSKXRBZKOEA-UHFFFAOYSA-N 422.506 5.069 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2)cc1 408576934 HKAGSGZXHPPZEX-UHFFFAOYSA-N 402.346 6.846 0 40 HKAB COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 408628868 FJSJOIRLTCKMMY-CQSZACIVSA-N 403.320 5.089 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(Cl)cc2)c1 408696632 CSNBIFLTJPSTEK-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2cccc(C)c2)cc1 408696867 FLFUUYPOVBGHPT-UHFFFAOYSA-N 416.456 5.033 0 40 HKAB CCc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 409116338 MGIDHXWDGQIFEE-UHFFFAOYSA-N 419.981 6.485 0 40 HKAB COc1cc(-c2nc3ccccc3s2)ccc1OS(=O)(=O)c1ccc(C)cc1 409251590 PVBYAUKDBCMPTM-UHFFFAOYSA-N 411.504 5.048 0 40 HKAB Cc1ccccc1NC(=O)COc1ccc(CNc2ccc(Cl)cc2)cc1Cl 409377747 JODYBBNWDWRTRL-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB C[C@@H]1CCCCN1S(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1 606422397 WUFRRTRSJFUHRU-OAHLLOKOSA-N 416.930 5.225 0 40 HKAB CN(C)c1ccc(NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)cc1 1083439 VXHBXKYZZDJSBV-UHFFFAOYSA-N 405.281 5.484 0 40 HKAB CCc1cc(I)ccc1NC(=O)c1ccc2ccccc2c1 1263906 CYHQCJXGMPACFX-UHFFFAOYSA-N 401.247 5.259 0 40 HKAB C[C@@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2N1C(=O)C(C)(C)C 1386008 HYTNFTWYVHYVKB-CYBMUJFWSA-N 405.325 5.308 0 40 HKAB COc1ccc([C@H](Nc2ccccc2)P(=O)(OC(C)C)OC(C)C)c(OC)c1 1835159 YOKPRSNITFQXRL-OAQYLSRUSA-N 407.447 5.858 0 40 HKAB Cc1cccc2c1N(C(=O)CCc1ccccc1)C(C)(C)c1ssc(=S)c1-2 2275810 HVHJRYAXDAZYRT-UHFFFAOYSA-N 411.617 6.729 0 40 HKAB CCOc1ccc(-n2c(SCc3ccc(C)cc3)nc3ccccc3c2=O)cc1 2364220 DBVCITYMKCFFRW-UHFFFAOYSA-N 402.519 5.385 0 40 HKAB CCCSc1nc2sc3c(c2c2nnc(SCC)n12)C[C@](C)(CC)OC3 2376383 SEJQDBHETVGDPY-SFHVURJKSA-N 408.618 5.195 0 40 HKAB COC(=O)c1ccc(Oc2coc3cc(OCc4ccccc4F)ccc3c2=O)cc1 2417504 KELRPBUAEVQQNQ-UHFFFAOYSA-N 420.392 5.090 0 40 HKAB biogenic Cc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2cccc(C)c2)cc1 2447593 BSCDLDGBGXLWDX-UHFFFAOYSA-N 417.509 5.665 0 40 HKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1sc2c(ccc3ccccc32)c1Cl 2562104 GMWZWXZVUWKYDS-UHFFFAOYSA-N 421.827 6.859 0 40 HKAB O=C(CCCSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)c1ccccc1 2618366 DAWRLMKATLRSDO-UHFFFAOYSA-N 418.493 5.280 0 40 HKAB Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(Br)c2)c1 3140174 AZWHQDKTIGONIS-UHFFFAOYSA-N 409.283 5.262 0 40 HKAB CC(=O)c1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccccc1 4070026 FDIDXUNKPZBBNE-UHFFFAOYSA-N 401.285 5.028 0 40 HKAB Cc1ccc2nc3sc(C(=O)N(c4ccccc4)c4ccccc4)c(N)c3cc2c1 4125369 QXVAOGAEFXAUHV-UHFFFAOYSA-N 409.514 6.319 0 40 HKAB CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2cc(C)cc(C)c2)CSC3)cc1 4176060 PKUAGMVMDGVDIL-UHFFFAOYSA-N 421.566 5.667 0 40 HKAB Cc1ccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2Cl)c(C)c1 4555066 GMYQUTJPPTWTLE-UHFFFAOYSA-N 404.897 6.634 0 40 HKAB CCOC(=O)c1ccc(N2C(=O)c3ccccc3[C@H]2c2c(C)[nH]c3ccccc23)cc1 4738941 NYBSMHDHQGZYOU-DEOSSOPVSA-N 410.473 5.403 0 40 HKAB Clc1ccc(-c2cn3cc(Cc4ccc(Br)cc4)sc3n2)cc1 5020446 CVLNJPHWMZZIEA-UHFFFAOYSA-N 403.732 6.070 0 40 HKAB CC(C)c1ccc([C@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 5033104 BQKORMCNTWMRAI-GIGWZHCTSA-N 415.514 5.820 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 5244192 NOKPCWPLRDJOLI-UHFFFAOYSA-N 420.475 5.755 0 40 HKAB Clc1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c(Cl)c1 5738382 XPSUNUAREGOODT-UHFFFAOYSA-N 412.341 7.608 0 40 HKAB Cc1ccc2ccc(S(=O)(=O)n3cnc(-c4ccccc4)c3-c3ccccc3)cc2c1 6244644 RQNRYXHSNVFDRW-UHFFFAOYSA-N 424.525 5.916 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)cc1 6356046 ZERMJGRKZVCGEW-INIZCTEOSA-N 422.481 5.072 0 40 HKAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(Cc3ccccc3)o2)c2ccccc2)cc1 6543867 ZWDQXHRCZZXNJB-QFIPXVFZSA-N 415.518 5.441 0 40 HKAB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)C(C)(C)C)cc1 6956321 AZUVMSOWVSAXJA-UHFFFAOYSA-N 408.325 5.749 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H](N[C@H](C)c1ccc(Cl)cc1)c1ccccc1 7268215 OARDHLOEWRFYGG-UZUQRXQVSA-N 408.929 5.688 0 40 HKAB CCOC(=O)c1oc2ccccc2c1NC(=O)CC(c1ccccc1)c1ccccc1 7347656 SRKKSAIJJDXIIG-UHFFFAOYSA-N 413.473 5.770 0 40 HKAB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccco1 8133189 YIIMMRPMYCXADY-INIZCTEOSA-N 418.522 5.344 0 40 HKAB CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccc(C)cc3)c2c1 9183899 XRHCBKPNPVMGHY-UHFFFAOYSA-N 423.468 6.329 0 40 HKAB biogenic C[C@@H]1C[C@@H](NC(=O)c2csc(NC(=O)Nc3ccc(Cl)cc3)n2)CC(C)(C)C1 9319032 HXVPWAZVCKJZBP-IUODEOHRSA-N 420.966 5.385 0 40 HKAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1 11361362 KPVWWLJOODOUBU-UHFFFAOYSA-N 409.492 5.278 0 40 HKAB CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cccc(C)c1 12414868 ROMTVZOJWOJYIN-UHFFFAOYSA-N 415.536 5.009 0 40 HKAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCC(C)(c1ccccc1)c1ccccc1 12621221 IMDBJSDYIFHOAT-UHFFFAOYSA-N 423.560 5.284 0 40 HKAB COC(=O)c1ccc(F)c(NC(=O)c2ccccc2SCc2cccs2)c1 12807258 RLMZLODWUTUKCV-UHFFFAOYSA-N 401.484 5.218 0 40 HKAB COc1ccc(Cc2nc(N3CCCCCC3)c3c4c(sc3n2)CCC4)cc1OC 13056715 RHALQPOKBCLNRN-UHFFFAOYSA-N 423.582 5.168 0 40 HKAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 13709951 LIBPFZSLNMCLBR-AWEZNQCLSA-N 402.277 6.192 0 40 HKAB COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nc3ccccc32)cc1 15981734 YZVVHZMWWQHEQR-UHFFFAOYSA-N 417.534 5.382 0 40 HKAB Fc1ccccc1-c1cc(-c2ccccc2F)n(-c2nc(-c3ccccc3)cs2)n1 17090274 ZTUBBTFJQRYWKW-UHFFFAOYSA-N 415.468 6.608 0 40 HKAB COc1ccc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OC 20106745 FJWYFEDEOPFXTP-UHFFFAOYSA-N 406.718 5.395 0 40 HKAB O=C(Nc1ccc(Br)cn1)c1sc2cccc(Cl)c2c1Cl 27980143 DLYAMEBLASDUQJ-UHFFFAOYSA-N 402.100 5.618 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3ccccc3)c3c[nH]c4ccccc34)oc2c1 27992133 YKBZXPXKGYAYNJ-QFIPXVFZSA-N 422.528 6.401 0 40 HKAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1cccc2ccccc12 29063816 AYXIGGKVMHTBAX-INIZCTEOSA-N 404.897 5.958 0 40 HKAB O=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCC[C@@H](C(F)(F)F)C1 29550889 FFKAEIKUKAZABC-CQSZACIVSA-N 406.429 5.485 0 40 HKAB Cc1ccc(SCC(=O)Nc2cc(Br)ccc2Br)cc1 31950637 BTBRQGXEWQIHII-UHFFFAOYSA-N 415.150 5.251 0 40 HKAB Cc1occc1-c1nnc(SCc2csc(Cc3ccc(Cl)cc3)n2)n1C 32325094 TYMHDKGOOPINFW-UHFFFAOYSA-N 416.959 5.377 0 40 HKAB Cc1ccc(-c2nc(NC(=O)c3cccc(C)c3)sc2NC(=O)c2ccco2)cc1 32624650 XQIZPFJOKWBFMW-UHFFFAOYSA-N 417.490 5.525 0 40 HKAB CCOC(=O)c1cccc(Nc2cc(C(=O)N3CCCCC3)nc3ccc(C)cc23)c1 44168081 DGWAOYUMONTPCK-UHFFFAOYSA-N 417.509 5.090 0 40 HKAB Cc1nc(C)c([C@@H](C)N[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 56215035 LTOSBQYZIPUXTI-APPZFPTMSA-N 406.766 5.398 0 40 HKAB Cc1ccc(NCc2cc3c(-c4cccc(F)c4)nn(-c4ccccc4)c3[nH]c2=O)cc1 57721123 RAAONXITCYQDQN-UHFFFAOYSA-N 424.479 5.440 0 40 HKAB CCCN(Cn1nc(-c2ccccc2)c2ccccc2c1=O)[C@@H]1CCc2ccccc21 58162815 MZDWCWZNFZSYNB-RUZDIDTESA-N 409.533 5.421 0 40 HKAB CCc1ccc(CNC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)cc1 64472769 ATUQSDZJGNHTPJ-UHFFFAOYSA-N 420.965 6.352 0 40 HKAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccc(C(C)C)cc3)n2)cc1 67257567 AZEAMBQKHGHYIA-UHFFFAOYSA-N 407.539 5.315 0 40 HKAB COc1ccc(Cn2c(SCc3cc(C)ccc3C)nc3ccsc3c2=O)cc1 71327621 FHRLDZGIMQNBOM-UHFFFAOYSA-N 422.575 5.424 0 40 HKAB CCCCN(C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)[C@@H](CC)c1ccccc1 72285132 RVHQVGKKCPQZGA-LOSJGSFVSA-N 404.554 5.731 0 40 HKAB O=C(c1ccc(F)cc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 72331305 NHMAGJDKAITOGW-UHFFFAOYSA-N 408.904 5.027 0 40 HKAB Cc1cccnc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 72401058 DCDNNLWKTUBSTL-QFIPXVFZSA-N 417.553 5.214 0 40 HKAB COc1ccccc1C(=O)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 96124425 CDJQBDAZPDMYNH-UHFFFAOYSA-N 402.479 5.210 0 40 HKAB OC1=C2C(=Nc3ccccc3S[C@@H]2c2ccc(C(F)(F)F)cc2)c2ccccc21 101429185 IHGOVCRMIFQTDD-JOCHJYFZSA-N 409.432 6.956 0 40 HKAB Cc1noc2c1[C@H](c1cccc(Cl)c1)C1=C(O)C[C@@H](c3ccc(O)cc3)CC1=N2 102729278 SADJGWZFRWOEBL-BTYIYWSLSA-N 406.869 5.950 0 40 HKAB COc1ccc(-c2csc(C3=C(O)CN(c4ccccc4C(C)C)C3=N)n2)cc1 102729836 VDRHXHFGRNSYKP-UHFFFAOYSA-N 405.523 5.709 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccccc1Cl)[C@H]2O 118913485 XRVKATFJHJNMOP-IALSGACSSA-N 413.001 6.018 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccccc1F 195528910 TYKDNJRHRFRXDI-YCYBXOBMSA-N 404.462 5.898 0 40 HKAB CCCC[C@@H](CC)CNC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 224080484 GLLRPQUFKVRODH-LJQANCHMSA-N 416.587 5.050 0 40 HKAB CCCOCc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1OCC 224711615 VXCOYYXXSQOUIL-UHFFFAOYSA-N 403.522 5.531 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)ccc1Cl 225176608 UXOAKPCCKWWVDX-ZDUSSCGKSA-N 404.919 5.012 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)NC(c2ccccc2)c2ccccc2)c1 225519569 TWJZMCXYHSLJNU-UHFFFAOYSA-N 404.535 5.248 0 40 HKAB O=C1CS[C@@]2(C(=O)Nc3ccccc32)N1c1ccc(Oc2ccc(Cl)cc2)cc1 226761709 GCJFHRONEOGLCM-QFIPXVFZSA-N 422.893 5.017 0 40 HKAB O=C(C[C@@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 226761993 VSLZYFGDJBKPIZ-DEOSSOPVSA-N 422.931 5.615 0 40 HKAB Cc1cc(N)cc(Br)c1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 227145433 LFUBEHAJMCBGJK-VIFPVBQESA-N 418.118 5.053 0 40 HKAB COc1ccccc1-c1ccc(CC2(C(=O)NC3CCCCC3)CCOCC2)cc1 257306392 SUCXMZBUWWKVQG-UHFFFAOYSA-N 407.554 5.150 0 40 HKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@H](C)C2)cc1 260814702 MLMODSNKIRNXCC-WATLYSKOSA-N 418.622 5.357 0 40 HKAB Fc1cccc(COc2ccc3ccccc3c2CNc2ccc(F)c(Cl)c2)c1 408610657 QZJWRTNJTXNSSZ-UHFFFAOYSA-N 409.863 6.963 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)c1 408696617 BFGXAOBSNQEYHH-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB O=C(Nc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409065420 SBLZURKLLIBKDK-UHFFFAOYSA-N 418.924 5.498 0 40 HKAB Cc1cccc(NCc2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)c1 409111957 AYJLOWDSZQIWAE-UHFFFAOYSA-N 422.355 7.646 0 40 HKAB O=C1S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N1CCCc1ccccc1 409139727 DULKHCRKEOXPDO-LFIBNONCSA-N 408.306 5.368 0 40 HKAB c1cc(-c2cnc3oc4ccccc4c3c2)cc(-n2c3ccccc3c3ccccc32)c1 1857792995 XUIQOHBTUSXRTI-UHFFFAOYSA-N 410.476 7.745 0 40 HKAB Cc1ccc2nc3sc(C(=O)Nc4nc5cc(C)ccc5s4)c(N)c3cc2c1 649756 SGDPDJJEINCRRT-UHFFFAOYSA-N 404.520 5.511 0 40 HKAB COc1ccc(-c2nc(-c3ccc4c(c3)OCO4)[nH]c2-c2ccc(OC)cc2)cc1 852269 YOZXNYCRIMHVKQ-UHFFFAOYSA-N 400.434 5.157 0 40 HKAB COc1ccc2cc3c(N)c(C(=O)Nc4cccc(C(F)(F)F)c4)sc3nc2c1 930208 QGTPRWOFSRIGRB-UHFFFAOYSA-N 417.412 5.311 0 40 HKAB CSc1ccc(Cl)c(C(=O)Nc2ccccc2C(=O)N2CCCC[C@@H]2C)c1 1441549 BRDLJTJRXAKSCC-AWEZNQCLSA-N 402.947 5.329 0 40 HKAB CCCCN(CCCC)c1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 1815263 SYXIIDVXHDDWMH-UHFFFAOYSA-N 412.603 5.806 0 40 HKAB CNc1oc(-c2ccc(Cl)cc2Cl)nc1S(=O)(=O)c1ccc(Cl)cc1 1958644 DBZALILOCDUVKJ-UHFFFAOYSA-N 417.701 5.176 0 40 HKAB Cc1ccc(N2COc3c(cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C)C2)cc1 2119539 WLQQDZYGWRVVDC-UHFFFAOYSA-N 411.501 5.666 0 40 HKAB biogenic CCCCCSc1nc2c(c(=O)n1CCCC)C1(CCCCC1)Cc1ccccc1-2 2326017 GPKXOVUKJVLEII-UHFFFAOYSA-N 424.654 6.751 0 40 HKAB Nn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1Cl 2359019 WRVWESFHZJSNRU-UHFFFAOYSA-N 420.152 5.565 0 40 HKAB O[C@H](CN[C@H]1CCCc2ccccc21)COC(c1ccc(F)cc1)c1ccc(F)cc1 2654576 WMPTWWRNUHTWJI-NOZRDPDXSA-N 423.503 5.099 0 40 HKAB Cc1ccc(-c2nn(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2Br)cc1 2733248 PEWCEVRELMHIDB-UHFFFAOYSA-N 417.350 6.894 0 40 HKAB COC(=O)c1ccc(Cn2nc(-c3ccc(C)c(C)c3)cc2-c2ccc(C)c(C)c2)o1 2733340 KHEJUFSOZYYOMK-UHFFFAOYSA-N 414.505 5.879 0 40 HKAB O=C1C[C@H](c2c(F)cccc2Cl)c2cc(Br)c3ccccc3c2N1 2757809 KUDPWQJTNWECDK-LBPRGKRZSA-N 404.666 5.869 0 40 HKAB O=C(Oc1c(-c2ccco2)oc2ccccc2c1=O)c1ccc(Br)cc1 2888665 GCPUJOKSCZNBIP-UHFFFAOYSA-N 411.207 5.035 0 40 HKAB Cc1cc(OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(C(C)C)cc1Cl 3217907 LJDRHPBSGWDPKE-UHFFFAOYSA-N 407.766 5.485 0 40 HKAB CCOc1cc(C(=O)OCc2c(Cl)cccc2Cl)cc(OCC)c1OCC 3249801 BUGBLAFGSUQLAP-UHFFFAOYSA-N 413.297 5.547 0 40 HKAB Brc1cccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)c1 3308074 KNVVOHXFAXIDDC-UHFFFAOYSA-N 418.338 5.592 0 40 HKAB O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1cccc(Cl)c1Cl 3319354 HGEGUYHUEZFPGX-UHFFFAOYSA-N 423.321 5.108 0 40 HKAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)NCc1ccccc1 3383363 ZJIOYXBLSYWDTG-UHFFFAOYSA-N 413.304 5.105 0 40 HKAB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1coc2ccccc2c1=O 4278871 XKMWOQXXYFIDHZ-UHFFFAOYSA-N 402.475 5.048 0 40 HKAB Cc1cccc(C(=O)N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccco2)c1 4306635 NZBCOMMAXVGVIL-IBGZPJMESA-N 409.283 5.342 0 40 HKAB CCOC(=O)c1c(C)[nH]c(C(c2ccccc2)c2[nH]c(C)c(C(=O)OCC)c2C)c1C 4428630 HZKOKTDZURSDGF-UHFFFAOYSA-N 422.525 5.110 0 40 HKAB CC1=CC[C@H](C(=O)O)[C@@H](C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)C1 4576739 RIZCELMIGUAXHK-ROUUACIJSA-N 406.507 5.267 0 40 HKAB O=C(Nc1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1)c1ccccc1 4690845 FXZPZAVADWAGAB-UHFFFAOYSA-N 406.485 5.458 0 40 HKAB COc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2C(=O)CC(C)C)cc1 4816879 USYZZHXKEWYXNK-SFTDATJTSA-N 424.932 5.054 0 40 HKAB Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(F)c2)N(c2ccc(F)cc2)C3=O)cc1 4870913 YGPZMEPVHQSGGQ-HSZRJFAPSA-N 401.416 5.413 0 40 HKAB C[C@H]1CCCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(Cl)cc4)nn23)C1 4980497 AZMJJCGSHMPPEW-KRWDZBQOSA-N 402.929 5.953 0 40 HKAB CCOc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(C)cc4)=NN3C(C)=O)cc2c1 4980901 SNQOFRCYZKWYSB-QFIPXVFZSA-N 407.901 5.293 0 40 HKAB COc1ccc([C@@H]2CC(c3ccccc3F)=NN2c2ccc(Cl)cc2)c(OC)c1 5008103 LCNNZFRHYWTMBG-QFIPXVFZSA-N 410.876 5.852 0 40 HKAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(Br)cc1 5146703 KPYOJEHBNHARJQ-UHFFFAOYSA-N 412.312 5.007 0 40 HKAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1ccc(Oc3ccccc3)cc1)CC2 5388790 XIXPBHJUVWDYDK-KRWDZBQOSA-N 403.478 5.256 0 40 HKAB CCOC(=O)c1c(NC(=O)CNc2cccc(Cl)c2C)sc2c1CC[C@H](C)C2 5413593 JMKWGESISSPWDY-LBPRGKRZSA-N 420.962 5.062 0 40 HKAB COc1ccc(-n2c(SCc3ccccc3C)nnc2-c2cccc(C)c2)cc1 5485558 BZTSQZOSCHOFHE-UHFFFAOYSA-N 401.535 5.852 0 40 HKAB CCCCOC(=O)c1ccc(Nc2cc(C)nc3ccc(C(=O)OCC)cc23)cc1 5808060 KTSXBXURIAMHDQ-UHFFFAOYSA-N 406.482 5.420 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(c2nc3ccccc3o2)CC1 6560188 CRZPLUHMUVSITJ-UHFFFAOYSA-N 413.477 5.475 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 6961989 YISRDFIHYHAAIJ-LICLKQGHSA-N 408.306 5.629 0 40 HKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 7495424 LHPNTJTYCZGFSK-HSZRJFAPSA-N 406.913 6.264 0 40 HKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc2[nH]c(C)c(C)c2c1 7737056 DEWAUCMTVSBQKK-UHFFFAOYSA-N 422.916 5.541 0 40 HKAB CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1cccc(C)c1 8090382 OLRIFPGWPUVVCW-UHFFFAOYSA-N 416.550 5.081 0 40 HKAB O=C(c1csc(-c2ccccc2)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 8157311 ILHZOIBJGMWRAF-INIZCTEOSA-N 405.548 5.440 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccc(C)cc3C)nc2c1 8369806 ASVWTZTXUNHJNS-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB COc1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3)n2)cc1 8854417 UVEURXHADOELFT-UHFFFAOYSA-N 404.944 5.279 0 40 HKAB CCOc1ccccc1NC(=O)c1nc(SCc2ccc(F)cc2)ncc1Cl 8916183 ROXVRIAGOHYZJS-UHFFFAOYSA-N 417.893 5.212 0 40 HKAB Cc1cccc(CN2CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)c1 9062988 YMJPWQWSVNPQJN-UHFFFAOYSA-N 412.577 5.436 0 40 HKAB CCCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 9355438 FUSCPFQWIZHFTK-RUZDIDTESA-N 414.936 6.834 0 40 HKAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3cccc4ncccc34)c(C)c12 9418741 ACRZTJXWVRREDQ-UHFFFAOYSA-N 412.445 5.194 0 40 HKAB Cc1c(CC(=O)NC2CC2)c(=O)oc2c(C)c3occ(-c4ccc(Cl)cc4)c3cc12 9429702 OXMBEFJNIOEENN-UHFFFAOYSA-N 421.880 5.298 0 40 HKAB Cc1ccc2nc(N(CCCn3ccnc3)C(=O)c3ccc(Cl)s3)sc2c1 10381565 BQKDGXRIHTWSLJ-UHFFFAOYSA-N 416.959 5.253 0 40 HKAB O=C1Nc2ccc(Cl)cc2/C1=C/c1csc(-c2cccc(Br)c2)n1 12685921 XFPNWOKRMRFCQH-NVNXTCNLSA-N 417.715 5.719 0 40 HKAB C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NCc1cccs1 13163871 ADQVGFYLANVJRP-INIZCTEOSA-N 420.559 5.867 0 40 HKAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 14793430 DRFVQCIMYKBDNR-UHFFFAOYSA-N 411.461 5.121 0 40 HKAB O=C1CS[C@H](c2ccc(Br)cc2)N1c1ccc(Cl)c(Cl)c1 15014115 WRGQSXNAJBDKQK-OAHLLOKOSA-N 403.128 5.535 0 40 HKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1cc2ccccc2o1 16284410 LLOZSRGCDPRLQG-UHFFFAOYSA-N 418.456 5.881 0 40 HKAB O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3F)CC[C@@H]21 19369014 KLRLOCLRUIAYJP-FIXSFTCYSA-N 420.553 5.018 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc(-c2ccc(CO)o2)cc1 20145400 SLRJMULBGRPASU-SDNWHVSQSA-N 403.409 5.490 0 40 HKAB O=S(=O)(c1ccccc1)c1cc2ccccc2o/c1=N\c1ccc(F)c(Cl)c1 20285511 NYDIFKQSWYEXIO-FLFQWRMESA-N 413.857 5.291 0 40 HKAB Cc1sc2nc(S[C@@H](C(=O)Nc3ccccc3)c3ccccc3)nc(N)c2c1C 24834033 MFYCICJXCBMCPH-GOSISDBHSA-N 420.563 5.362 0 40 HKAB CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(F)cc2)c(Br)c1 27698652 XXORDHYNBXLHBZ-UHFFFAOYSA-N 408.311 5.683 0 40 HKAB Cc1cc2oc(C(=O)N(Cc3cccs3)c3ncccc3C)c(C)c2cc1Cl 27990361 MQXKQGDFUMTPLN-UHFFFAOYSA-N 410.926 6.315 0 40 HKAB COc1ccc(CNC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)cc1 38653861 CDYAJQIABNAAID-UHFFFAOYSA-N 406.482 5.284 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38849501 SOFVMBKFQJJCMT-HNNXBMFYSA-N 411.760 5.806 0 40 HKAB Cc1cccc(C)c1NC(=O)Cn1c(Cc2ccccc2Cl)nc2ccccc21 40301369 QSLMHHNLBBBDSK-UHFFFAOYSA-N 403.913 5.536 0 40 HKAB Cc1ccc2c(Nc3cccc(C(C)C)c3)c(C(=O)N3CCCC[C@@H]3C)cnc2n1 49005320 IBWSUHZBYHJPED-SFHVURJKSA-N 402.542 5.820 0 40 HKAB CC(C)C[C@@H]1N[C@H](C(=O)NCc2cccs2)Cc2cn(CC3CC3)c3cccc1c23 49171560 DHMVCFLWCOPWNK-VXKWHMMOSA-N 421.610 5.031 0 40 HKAB biogenic,in-vitro Cn1c2c(sc1=O)[C@@H](c1ccc(Cl)cc1Cl)CC(=O)N2c1ccc(F)cc1 49550292 QQKSKLIRHTWXTL-CQSZACIVSA-N 423.296 5.093 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1CCC(c2nc3ccccc3s2)CC1 58163984 SLZXYGURMXYSNX-INIZCTEOSA-N 403.551 5.537 0 40 HKAB O=C(CSCc1ccc(Br)cc1)Nc1ccc(-c2ccccc2)cc1 59472956 KAQATXVCNBZRJB-UHFFFAOYSA-N 412.352 5.988 0 40 HKAB O=C(C1CCCC1)N1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359653 COZKVPYZNFALAN-KRWDZBQOSA-N 403.448 5.059 0 40 HKAB CCc1ncc(C(=O)Nc2ccc(Cl)cc2C(=O)N2[C@@H](C)CCC[C@H]2C)s1 83830604 ULCUJJWTQACOAL-BETUJISGSA-N 405.951 5.014 0 40 HKAB O=C(N[C@H]1CCCc2c1[nH]c1c(Cl)cccc21)C1(c2ccccc2)CCOCC1 96223764 WGJPPDKUBQTVBM-FQEVSTJZSA-N 408.929 5.063 0 40 HKAB CCc1cccc(C)c1NC(=O)CN1C(=O)CC(c2ccccc2)=Nc2ccccc21 101354197 UONDILKDICCBET-UHFFFAOYSA-N 411.505 5.054 0 40 HKAB Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)s2)c1 195530142 CDTDYTIROYTOCX-DLTWYDFYSA-N 404.605 5.012 0 40 HKAB Fc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1 224175557 NJWXYRWPZMCGOL-GOTSBHOMSA-N 414.509 5.189 0 40 HKAB COc1cc(C)c(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)c(C)c1 224236446 PIQCQSDUILEODC-UHFFFAOYSA-N 413.564 5.405 0 40 HKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224994827 VIFNDBDSWJWDAR-NHCUHLMSSA-N 422.613 5.249 0 40 HKAB S=C(NCCSCc1ccccc1Cl)Nc1ccc(OC2CCCC2)cc1 225297373 KJRJIOUERFZUTF-UHFFFAOYSA-N 421.031 5.881 0 40 HKAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)s1 225334864 TWDZDUZDNAEBQT-RTWAWAEBSA-N 409.580 5.416 0 40 HKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 225717899 ZNAORSWKQNEDJK-VWLOTQADSA-N 416.565 5.104 0 40 HKAB Cc1ccc(Cl)cc1NCc1ccc(OCc2cccc(Cl)c2)c(Cl)c1 409120927 XDVCRPNANAIOFI-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB O=C(Nc1ccc2c(C(=O)O)cccc2c1)OCC1c2ccccc2-c2ccccc21 1875251668 SELXRSYHLAEMJM-UHFFFAOYSA-N 409.441 5.899 0 40 HKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)c(Cl)c2)n1C 642321 KVVHSCVGPQYRPN-UHFFFAOYSA-N 421.353 5.082 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc3nc(-c4ccccc4F)oc3c2)ccc1Cl 722846 MHFXFSITVLKWGQ-UHFFFAOYSA-N 410.832 5.613 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c1 904186 CCGJKZVUQUOCSL-UHFFFAOYSA-N 405.548 5.706 0 40 HKAB O=C(c1ccccc1)c1oc2ccc(F)cc2c1-c1cnc2c(c1)COc1ccccc1-2 990189 CUBZEMUSGDKMSR-UHFFFAOYSA-N 421.427 6.424 0 40 HKAB O=C(N[C@@H](Nc1ccc(Cl)cc1Cl)C(=O)c1ccccc1)c1cccs1 1013827 RFAQRCRNHXCLAI-GOSISDBHSA-N 405.306 5.106 0 40 HKAB CC(C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Cl)cc2Cl)cc1 2059643 AFPJJTBOHAPZQS-QFIPXVFZSA-N 411.332 6.888 0 40 HKAB Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cc(C)cc23)c1 2079781 YHICPYPZVOFSHB-UHFFFAOYSA-N 414.936 7.041 0 40 HKAB Fc1ccc(-c2nc(-c3ccc(Sc4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 2184866 MBFVAZNSMXBPHE-UHFFFAOYSA-N 422.528 7.701 0 40 HKAB CCCN(C(=O)c1cc2c(=O)n3ccccc3nc2s1)c1ccc(C(C)C)cc1 2722876 MRLGVRXCCIBEEY-UHFFFAOYSA-N 405.523 5.089 0 40 HKAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 3063048 CFJNYPHLTGIGOE-LIKPIUCQSA-N 420.295 5.390 0 40 HKAB CCCCC[C@@H]1CCc2nc(-c3ccc(I)cc3)ccc2C1 3108567 MBKKYSYMPJYVRP-OAHLLOKOSA-N 405.323 6.038 0 40 HKAB CCc1cccc(C)c1Nc1nc2ccccc2nc1NS(=O)(=O)c1cccs1 3171798 KDAHMBUXHGJDOA-UHFFFAOYSA-N 424.551 5.107 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 3241370 GTFGNMZOJWMSTK-ZDUSSCGKSA-N 418.324 5.476 0 40 HKAB CC(C)c1ccc(Nc2nnc(SCc3ccc(Br)cc3)s2)cc1 3294544 VYVMYGAWIZYWQF-UHFFFAOYSA-N 420.401 6.460 0 40 HKAB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)OCc1nc2ccccc2s1 3396215 GCZZAKLKMAZHEF-VAWYXSNFSA-N 423.925 5.260 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@H]21 4040105 JJJGNTWUQPBWDJ-XOBRGWDASA-N 414.383 5.388 0 40 HKAB Cc1c([C@H]2C3=C(CCCC3)C(=O)N2Cc2ccc3c(c2)OCO3)c2ccccc2n1C 4747648 OFLIIDLKTOBXOU-RUZDIDTESA-N 414.505 5.170 0 40 HKAB COc1ccc([C@H](Nc2ccccc2)P(=O)(OCC(C)C)OCC(C)C)cc1 4817130 GXAFGGCVEWDOIJ-JOCHJYFZSA-N 405.475 6.344 0 40 HKAB Cc1ccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccccc3Cl)c2=O)cc1C 4971937 RYFDYNOGDGFLSS-UHFFFAOYSA-N 416.868 5.102 0 40 HKAB Cn1c(NC(=O)c2ccco2)c(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21 5324457 JQMYIHQUSDBVDM-UHFFFAOYSA-N 413.260 5.358 0 40 HKAB COc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3ccc(Cl)cn23)cc1OC 5453668 YVJKBFZWBGPEIX-UHFFFAOYSA-N 418.884 5.897 0 40 HKAB CCOC(=O)[C@@H](CC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 5575310 WHCRQVCMGLGHED-NDEPHWFRSA-N 420.552 6.758 0 40 HKAB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc2c(c1)OCO2 6206082 SVSHNONUKBVTLK-UHFFFAOYSA-N 414.461 5.908 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c1 6626543 OGBHLOGDMMFIRO-UHFFFAOYSA-N 407.857 5.178 0 40 HKAB O=C(Nc1cccc2ccccc12)N1CCN(CC23CC4CC(CC(C4)C2)C3)CC1 6942684 OSMQYAWEWUNFQV-UHFFFAOYSA-N 403.570 5.206 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 7073145 KNANXGPPUSPTIF-CQSZACIVSA-N 400.931 5.995 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(-c3ccoc3C)o2)c2ccccc2)c1 7193840 QOQZJXNHFNTIDX-HXUWFJFHSA-N 419.506 5.727 0 40 HKAB CCCOc1ccc(NC(=O)Cc2csc(-c3cccs3)n2)cc1OCCC 7781270 TZRACQYYRZPXLA-UHFFFAOYSA-N 416.568 5.630 0 40 HKAB COc1ccc(-c2nnc(SC[C@H]3CCCCO3)n2C2CCCCC2)cc1OC 7987459 UNRNXWQGQYWNHC-GOSISDBHSA-N 417.575 5.129 0 40 HKAB Cc1ccc(OCC(=O)Nc2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)cc1 8382746 JPPVBXVHJNKNKM-UHFFFAOYSA-N 412.848 5.057 0 40 HKAB CCOc1cc(Cl)c(Cl)c2cc(C(=O)Nc3cccc(C)c3C)c(=O)oc12 9236289 OLKJFVGQKGZMII-UHFFFAOYSA-N 406.265 5.368 0 40 HKAB O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1Cl 9434388 RITROLHPKGEMGH-UHFFFAOYSA-N 423.950 5.744 0 40 HKAB Cc1cccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(F)c(Cl)c3)cs2)c1 9625570 IOYLLJGYBICZQF-UHFFFAOYSA-N 418.881 5.069 0 40 HKAB O=c1c(CN2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)coc2ccccc12 12185697 JYSPBWPEHSHMOS-QFIPXVFZSA-N 418.468 5.704 0 40 HKAB CCCOc1ccccc1NC(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1 12547599 MUTGOIHLBLXTKG-UHFFFAOYSA-N 415.493 5.263 0 40 HKAB Cc1nn(-c2ccccc2)c2sc(C(=O)N(c3ccccn3)c3ccccn3)cc12 12559730 VFSOZMCPEHCSCG-UHFFFAOYSA-N 411.490 5.164 0 40 HKAB C[C@H](SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1c(F)cccc1F 12929883 QAFNMFGATZBRMH-NSHDSACASA-N 408.857 5.534 0 40 HKAB Cc1ccc(Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)cc1C 13041200 YWMBXSJCJBLGAG-UHFFFAOYSA-N 412.408 6.373 0 40 HKAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)Cc2cccc(Cl)c2)cc1Cl 13058368 VUJHDESLJKSLIY-JOCHJYFZSA-N 413.348 6.114 0 40 HKAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1OCc1ccccc1 13687345 KTTKEOXDVHXKAO-UHFFFAOYSA-N 414.505 5.144 0 40 HKAB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OC 16412221 YNAKQLNXCXQXFP-GZTJUZNOSA-N 406.869 5.446 0 40 HKAB Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5C)oc4C)ccn3n2)cc1C 16840044 RZNXSMFNBZRFTG-UHFFFAOYSA-N 424.504 5.100 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CCCc1nc2ccccc2s1 18132372 PYAZCYYLQLECOJ-UHFFFAOYSA-N 418.566 5.080 0 40 HKAB CCOC(=O)C1=C(C)NC(C)=C2C(=O)Oc3c(Cl)cc(C4CCCCC4)cc3[C@@H]12 19690611 NNXGOTXFFHSZFH-FQEVSTJZSA-N 415.917 5.105 0 40 HKAB CCOCc1ccc(C(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1 19691256 JNOPGMMHBUBGAV-VWLOTQADSA-N 418.512 5.710 0 40 HKAB Cc1ccc(Cc2cnc(NC(=O)C3=Cc4cc(Cl)ccc4OC=C3)s2)cc1 19809831 WOGBKSMPKAUOAN-UHFFFAOYSA-N 408.910 5.624 0 40 HKAB CCC(=O)Nc1nc2ccc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)cc2s1 21596053 FMFRZCDLWKYOOR-UHFFFAOYSA-N 424.309 5.213 0 40 HKAB CCOc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2C)cc1 21798005 NLRMCFQWIURMQG-UHFFFAOYSA-N 420.516 6.538 0 40 HKAB Cc1occc1-c1nnc(SCc2nc(-c3ccsc3)no2)n1-c1ccccc1 23275315 JWYLCWQPJORTRN-UHFFFAOYSA-N 421.507 5.240 0 40 HKAB O=C(NCc1ccc(Cl)cc1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 24262694 QMFUFMUTQGCRSG-UHFFFAOYSA-N 414.214 5.128 0 40 HKAB Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)N3CCCCCC3)c(C)c2cc1C 28287050 RDNJUWCJUFRNLV-FQEVSTJZSA-N 410.583 5.767 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCCc1ccc(OC(C)C)cc1 30867188 RJKFTAXEBTVXGA-XMMPIXPASA-N 405.538 5.533 0 40 HKAB COc1cccc(CCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 30871548 STJJKRMFKDZASZ-UHFFFAOYSA-N 421.562 5.229 0 40 HKAB Cc1cccc(OCC(=O)Nc2ccccc2-c2nc(-c3ccc(F)cc3)no2)c1C 32623019 ZUZIYBOZZFMGDR-UHFFFAOYSA-N 417.440 5.177 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2cccc(F)c2)cc1 33381838 HAPQFMIIKPVOGL-OAQYLSRUSA-N 424.497 5.173 0 40 HKAB CCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N=C2O)c1 33396976 IUFJGKSRBAZZJF-CPNJWEJPSA-N 421.547 5.657 0 40 HKAB CCOC(=O)/C=C/c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 34167842 VWIZYQXKZWPEES-VHEBQXMUSA-N 408.501 5.300 0 40 HKAB O=C(O)c1c(O)c(Cc2csc3ccc(Cl)cc23)nc2c3c(ccc12)CCCC3 35087123 DLXYAKRASGSDQG-UHFFFAOYSA-N 423.921 5.976 0 40 HKAB C[C@@H](c1cc2ccccc2o1)N(C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 36396659 HDENJHIMZPPPQU-ZDUSSCGKSA-N 401.388 5.695 0 40 HKAB CCc1cc(C(=O)Nc2ccccc2C)c2c(C3CC3)nn(Cc3ccccc3)c2n1 36621591 OJERGSLIQVOIAK-UHFFFAOYSA-N 410.521 5.480 0 40 HKAB Cc1ccc(CN(CC2(N3CCC(C)CC3)CCCCC2)C(=O)c2ccccc2)cc1 36631324 XEOZZIARHDBBOH-UHFFFAOYSA-N 418.625 6.072 0 40 HKAB O=C(/C=C/c1ccccc1OC(F)F)N1CCc2sccc2[C@@H]1c1cccs1 36648467 WHFBCBAEFWDVDF-AQKVLALTSA-N 417.502 5.599 0 40 HKAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H](C)c1ccc(F)cc1 40119047 ICAKAPSJSAKTSR-CYBMUJFWSA-N 416.905 5.592 0 40 HKAB O=C([C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)N1CC=C(c2ccccc2)CC1 48302114 SWFDNYJGTUXKNF-NHCUHLMSSA-N 400.547 5.662 0 40 HKAB CCOc1ccc(-c2cc3c(SCc4ccc(C)cc4C)nccn3n2)cc1Cl 57510881 YMOWFUKWJBNBLM-UHFFFAOYSA-N 423.969 6.358 0 40 HKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(C)cc3F)oc12 67295763 PSAAOEKRCCULBT-PNHLSOANSA-N 417.440 5.077 0 40 HKAB CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccc(F)cc1Cl 72328535 XXOLFNCVWAWARX-UHFFFAOYSA-N 420.315 5.775 0 40 HKAB Cc1[nH]c(SCc2cn3cc(Br)ccc3n2)nc1Cc1ccccc1 84052219 QESWFWTYVBEDEB-UHFFFAOYSA-N 413.344 5.011 0 40 HKAB Cc1cccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C(=O)N(C)C)c1C 96037373 WFJWCXJOFAPZPJ-UHFFFAOYSA-N 416.525 5.576 0 40 HKAB COc1cc([C@H]2OC[C@@H]3[C@H](C)C=C(C)[C@@H]2[C@@H]3C)ccc1OCc1ccc(C(=O)O)cc1 100903168 MWCFKMDOPSZIPZ-WFJMSPSKSA-N 422.521 5.508 0 40 HKAB Cc1ccc(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 107673501 LZWJBCGRQIJZPB-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB CC(=O)OC[C@H](OC(C)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118924924 RZMRLFZKLOVKNA-SSOLYOFOSA-N 404.591 5.530 0 40 HKAB CCc1ccc(OCC(=O)N[C@H](CC)c2ccc(C)c(C)c2)c(Br)c1 218867933 KKDTYAPUJLRCSN-LJQANCHMSA-N 404.348 5.275 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 219353737 HUFAHRDNBTYLQU-JOCHJYFZSA-N 415.493 5.014 0 40 HKAB Cc1ccc(-c2nnc(NC(=O)CSCc3c(Cl)cccc3Cl)s2)cc1 222867065 WKWPPBOMNULDLK-UHFFFAOYSA-N 424.378 5.692 0 40 HKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 222981538 DFQWRJXYXCPCND-NHCUHLMSSA-N 411.958 5.768 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccccc1C(C)(C)C 223714301 TWFFLXSJFISFTA-QFIPXVFZSA-N 405.538 5.490 0 40 HKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 223754701 ZWZBAPIFSHSGKT-PKTZIBPZSA-N 418.566 5.184 0 40 HKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc4ccccc34)c2)c1 223946731 KSTYEMWHHMUWKO-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1CSc1ccc(C)cc1 224336808 PMYAZNQSVLLUNF-UHFFFAOYSA-N 411.954 6.510 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1COc1ccc(C)cc1 224469460 PONUEDTXLSBDFA-UHFFFAOYSA-N 419.477 5.012 0 40 HKAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 224737993 OPPMZMXWHCROEJ-OAQYLSRUSA-N 416.565 5.024 0 40 HKAB CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224945809 DNNZUSPAYNHGBB-UHFFFAOYSA-N 414.354 5.530 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)c2ccc(CN3CCCCC3)cc2)c2ccccc2O1 225145336 BUXVLOURLHHNNC-HSZRJFAPSA-N 406.570 5.485 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C)CC(C)(C)O2 225305770 JPDZXAAHQDFXQN-LAUBAEHRSA-N 411.542 5.313 0 40 HKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225485339 JDXLCASORSLUEE-BWKNWUBXSA-N 422.613 5.465 0 40 HKAB Cc1ccc([C@H](NC(=S)Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 225511347 GFCRNJSTDDYRHZ-XMMPIXPASA-N 415.562 5.198 0 40 HKAB CCCc1s/c(=N\C(=O)c2cccc(OC)c2)n(CC)c1-c1ccc(C)c(C)c1 408561305 HNMXHFVNPUVBRZ-IZHYLOQSSA-N 408.567 5.556 0 40 HKAB Cc1cc(/C=C2/SC(=O)NC2=O)cc(C)c1OCc1ccc(Cl)cc1Cl 408848618 RXUSURVZXRAIGX-FRKPEAEDSA-N 408.306 5.513 0 40 HKAB CCCCCCC(=O)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 408973758 BLNQTGJLEKMZFA-UHFFFAOYSA-N 409.533 6.873 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2N=C3CC[C@H](C(C)(C)C)C[C@H]3[C@@]2(O)C(F)(F)F)cc1 409098047 IEXLYHXEQWAWHI-GSHUGGBRSA-N 424.507 5.509 0 40 HKAB COc1ccc2c(c1)c(Sc1ccccc1)c(CC(=O)Nc1ccc(C)cc1)n2C 712868 ZZLSHQKTTZKYCR-UHFFFAOYSA-N 416.546 5.828 0 40 HKAB CC[C@H](C)OC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 957136 FKSWYWNYTCUEEX-IRXDYDNUSA-N 410.466 5.311 0 40 HKAB O=C(COC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1)Nc1ccccc1 959599 DROARORTJLMHIO-NTCAYCPXSA-N 421.880 5.114 0 40 HKAB FC(F)(F)c1cccc(NC(=S)N2N=C(c3ccco3)C[C@@H]2c2ccco2)c1 1016865 XFWOUVVIVSBVMB-OAHLLOKOSA-N 405.401 5.440 0 40 HKAB Cc1cc(C)c2cc(CN(Cc3ccco3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 1371276 YHFZTTXTMSEXKQ-UHFFFAOYSA-N 419.456 5.111 0 40 HKAB CC1(C)CC(OP(=O)(Oc2ccccc2)Oc2ccccc2)CC(C)(C)N1O 1556672 LTSJBFAUBRQWHG-UHFFFAOYSA-N 405.431 5.680 0 40 HKAB Clc1ccccc1[C@H](c1ccccc1)[C@@H](c1ccccc1)c1ccccc1Cl 1690824 MATSURWGMAEFEN-UIOOFZCWSA-N 403.352 7.957 0 40 HKAB CCc1c2c(cc3c1C[C@]1(C3)Cc3cc4c(c(C(=O)OC)c3C1)CCCC4)CCCC2 1855667 BDFQTUYUSGKRDS-LJAQVGFWSA-N 414.589 5.677 0 40 HKAB Cn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2066641 GJVVEXOLUAEKGZ-UHFFFAOYSA-N 402.563 5.498 0 40 HKAB biogenic CSc1nc(SCC(=O)Nc2ccccc2C)c2c3c(sc2n1)CCCC3 2213282 FZIZIKBFCGSUKG-UHFFFAOYSA-N 415.609 5.331 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1CC1CCCCC1)CCc1ccccc1-3 2297574 CRPLCDYPLLSYSV-UHFFFAOYSA-N 424.635 6.306 0 40 HKAB COc1ccc(-c2cc(C(=O)Oc3ccc4ccccc4c3)c3cc(C)ccc3n2)cc1 2324420 LMYNKQFALSEIBB-UHFFFAOYSA-N 419.480 6.591 0 40 HKAB O=C(Nc1ccc(CSc2ccc(Cl)cc2)cc1)c1cccc(C(F)(F)F)c1 3111174 KRQOZCOWIFZBHN-UHFFFAOYSA-N 421.871 6.903 0 40 HKAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 3235841 SNCFHUYULRMJOG-UHFFFAOYSA-N 415.961 6.039 0 40 HKAB O=C(COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(Cl)cc1 3285155 CBDXCLNVQAPQMX-UHFFFAOYSA-N 416.864 5.232 0 40 HKAB Cc1nc2ccc(NC(=O)[C@@H](NC(=O)c3ccc(C(C)(C)C)cc3)C(C)C)cc2s1 3364349 RERJUUIEBMVDDR-NRFANRHFSA-N 423.582 5.295 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1 3647670 MNVRMVAKWVMMSE-MRXNPFEDSA-N 415.493 5.729 0 40 HKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OC)c4)cc3n2)cc1 4670750 UGMYHIAATIJDKY-UHFFFAOYSA-N 414.509 5.332 0 40 HKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c1 4741196 ZASOAYYAQDAEKX-JTQLQIEISA-N 415.704 5.401 0 40 HKAB O=C(c1ccc(Cl)c(Cl)c1)N1C(=S)C(c2ccccc2)=NC12CCCC2 4892151 FTYXMLLCAPODOS-UHFFFAOYSA-N 403.334 5.536 0 40 HKAB CCCCCOC(=O)CSc1nc(-c2cccc(C)c2)nc2c1COC(C)(C)C2 5244745 PLENOEGSTBHUFY-UHFFFAOYSA-N 414.571 5.129 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(C(=S)NC3CCCCC3)C3CCCC3)cc2c1 6197668 YQPVLKGXUQEKEI-UHFFFAOYSA-N 411.615 5.042 0 40 HKAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 6966834 GSVJMIUKMRPFTJ-XDHOZWIPSA-N 412.276 5.190 0 40 HKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)Cc2sccc2C)cc1 7116875 UZLQSOWFSZXRKW-UHFFFAOYSA-N 418.562 5.805 0 40 HKAB O=C(CN(c1ccccc1)c1n[nH]c(=S)s1)Nc1c(Cl)cccc1Cl 8436104 PXZYBAFFQXCPHI-UHFFFAOYSA-N 411.339 5.284 0 40 HKAB O=C(/C=C\c1ccccc1)Nc1ccc2oc(-c3ccccc3Br)nc2c1 8440800 HZMJLPFWQKDPFZ-RAXLEYEMSA-N 419.278 5.909 0 40 HKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(Cl)c2)N1c1ccccn1 8827471 QWNFSVLTMFOLJO-IBGZPJMESA-N 423.255 5.245 0 40 HKAB CC(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)cc1 8903099 JYJCZDRJPYWEEV-UHFFFAOYSA-N 405.479 5.338 0 40 HKAB O=C(Nc1ccc(CSc2ccccc2)cc1)C1CCN(Cc2ccccc2)CC1 9062799 PAGGVFSMVJGZLW-UHFFFAOYSA-N 416.590 5.830 0 40 HKAB COc1ccc(-c2nc(NC(=O)Cc3csc(-c4ccccc4)n3)sc2C)cc1 9120527 RQKVQJSRQUERBQ-UHFFFAOYSA-N 421.547 5.432 0 40 HKAB O=C(Nc1nc2ccc(Cl)cc2s1)c1cccc2c(Br)cccc12 9280134 DDTNBAOKJDCFLQ-UHFFFAOYSA-N 417.715 6.118 0 40 HKAB Cc1cccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cccc(C)c2C)c1 9360626 SFIOXHHZUNDQOK-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](NCc1ccccn1)c1ccccc1 9490959 GSBCXNHYFWLQOO-IBGZPJMESA-N 419.834 5.223 0 40 HKAB Cc1cc(C)c(NC(=O)Cc2csc(SCC(=O)c3cccs3)n2)c(C)c1 11694987 YCCQVJYSDVEJFV-UHFFFAOYSA-N 416.593 5.286 0 40 HKAB Cc1ccc(-c2csc(N3CCN(C(=O)c4cc5ccccc5s4)CC3)n2)cc1 12462021 WBQIBLQMRNCVTG-UHFFFAOYSA-N 419.575 5.296 0 40 HKAB O=C1c2ccccc2N[C@@H](c2ccccc2OCc2ccccc2)N1Cc1ccco1 12633306 GSVPGKXYRKUQSG-RUZDIDTESA-N 410.473 5.625 0 40 HKAB Cc1ccc(-n2c(S[C@H](C)c3nc(C(C)C)no3)nc3ccccc3c2=O)cc1 12987519 VOZVPDXUFSDDAP-OAHLLOKOSA-N 406.511 5.054 0 40 HKAB CCOc1ccc([C@H]2CCCN2Cn2nc(-c3ccc(C)cc3)n(C)c2=S)cc1 12993423 ZIUWHKQYVUEBJG-OAQYLSRUSA-N 408.571 5.120 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1Br 13574308 UHNNIQSIIXIVOZ-UHFFFAOYSA-N 423.266 5.518 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1)c1ccc(Cl)cc1Cl 13843271 CKNSJZQNGLGLSR-UHFFFAOYSA-N 411.244 5.414 0 40 HKAB Cc1nc(Cc2nn(CN(C)C(c3ccccc3)c3ccccc3)c(=S)o2)cs1 14197233 RNFOBKUEUXQRRQ-UHFFFAOYSA-N 422.579 5.240 0 40 HKAB Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)c(C)cc1I 16268082 HDOVWBOBZXRMIW-UHFFFAOYSA-N 420.077 5.467 0 40 HKAB Cc1ccccc1C(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl 16362591 RTIYBRHNNROGLB-FQEVSTJZSA-N 403.869 5.218 0 40 HKAB COc1cccc(Cc2cc(C)nc(C3CCN(C(=O)c4ccccc4)CC3)c2)c1 19691542 PCDXESGBIYMKJP-UHFFFAOYSA-N 400.522 5.009 0 40 HKAB CCN(Cc1nccn1CC)[C@H]1CCO[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)C1 19711999 FETHPHHCJMIWGT-UKILVPOCSA-N 419.569 5.321 0 40 HKAB CCOCCOc1ccccc1NCCOc1ccc(C(C)(C)C)cc1C(C)(C)C 19738517 LKEFZVQQSSTHLY-UHFFFAOYSA-N 413.602 6.188 0 40 HKAB COc1cc(NC(=O)c2cc(Cl)cc(Cl)c2OC)ccc1-c1ccc(CO)o1 20141371 SYUAXSKBPGYPPD-UHFFFAOYSA-N 422.264 5.015 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1ccc(OC(C)C)cc1 20495418 AVSKTJUDTTXJJF-NRFANRHFSA-N 405.991 5.747 0 40 HKAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCCC1)c1cc(-c2cccs2)on1 21805362 QJOPRDZYYPKWAF-SFHVURJKSA-N 415.946 5.014 0 40 HKAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccccc1SCc1ccsc1 22463725 RRBKMLQEXBLLAY-JOCHJYFZSA-N 422.619 5.607 0 40 HKAB OC1=NC(=S)S/C1=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 33248073 NUYAQJFXSJWDFC-IDUWFGFVSA-N 419.358 6.326 0 40 HKAB Cc1cccc(C(=O)Nc2cccc(NC(=O)C(c3ccccc3)c3ccccc3)c2)c1 41091614 MGMSBEQWUDHKDJ-UHFFFAOYSA-N 420.512 6.018 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1Cl 44901501 VEDWULXGVYYDET-UHFFFAOYSA-N 409.869 5.348 0 40 HKAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 50011380 QSYZEZZQBQCDIH-SFHVURJKSA-N 414.534 5.362 0 40 HKAB CC(C)[C@H](c1nnnn1C1CCCC1)N(Cc1ccccc1)Cc1ccc(F)cc1 57614129 MKNUGYBVTLZPMX-HSZRJFAPSA-N 407.537 5.327 0 40 HKAB O=C(Cc1csc(-c2ccc(Cl)s2)n1)Oc1ccc(-c2nccs2)cc1 57996492 QCJZWSQTHUCBRU-UHFFFAOYSA-N 418.952 5.797 0 40 HKAB O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Br)cc1)N1CCCC1 64471975 ZHJOATVCXVTLNI-UHFFFAOYSA-N 414.278 5.116 0 40 HKAB C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 64622602 INLFWQCRAJUDCR-PDWAGFGXSA-N 400.647 6.823 0 40 HKAB in-vitro C=Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2)cc1 67258858 WCQDXGMHBOHQMU-UHFFFAOYSA-N 400.503 5.330 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1Cl 72229972 PRUYKVHSYCOULQ-FQEVSTJZSA-N 402.277 5.336 0 40 HKAB Clc1ccccc1Cc1cccc([C@@H]2CCCN2Cc2ccc3nccnc3c2)n1 72358072 LXQYSHRWPXUIMH-VWLOTQADSA-N 414.940 5.606 0 40 HKAB CCCCN(CCCC)C[C@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2=O 77287054 DHSOIDFQNPRZLM-NRFANRHFSA-N 420.380 6.140 0 40 HKAB in-vitro Cc1cc(-c2cc(C(=O)NNc3cccc(Cl)c3)c3c(C)noc3n2)c(C)s1 84081901 VKWAWXIEJWGSKG-UHFFFAOYSA-N 412.902 5.287 0 40 HKAB CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc(C)c1 95116692 UMQAQJRCSDMRGB-HSZRJFAPSA-N 410.477 5.138 0 40 HKAB Cc1ccc(C(=O)[C@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN23)cc1 106937225 RAHRZNVFVOYGDE-LEAFIULHSA-N 418.496 5.901 0 40 HKAB Cc1cc2nc3s/c(=C\c4ccc(-c5cccc(Cl)c5C)o4)c(=O)n3c2cc1C 197610702 IFTCIOQVDPSFKV-NHDPSOOVSA-N 420.921 5.296 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219340075 PHTOCBGGMRNMRT-VXKWHMMOSA-N 419.521 5.424 0 40 HKAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222756542 QBGYVSSCXDRNEA-ROUUACIJSA-N 401.944 5.082 0 40 HKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2ccccc2)c1C 222899827 BWSBJSUPSPTQSG-XZOQPEGZSA-N 404.583 5.180 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2ccccc2OC)c1 224246882 OMPFNCHDZGJPFQ-UHFFFAOYSA-N 419.521 5.660 0 40 HKAB CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c2ccccc2O1 225331869 FYLHVSPFXDOWDF-GCJKJVERSA-N 407.554 5.532 0 40 HKAB Cc1cccc(CSCCNC(=S)Nc2ccc(Br)c(C)c2)c1 225337407 RJYQMCAXHHOVTE-UHFFFAOYSA-N 409.418 5.286 0 40 HKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 225505255 PEHOTFKCRWCXOO-FQEVSTJZSA-N 400.469 6.090 0 40 HKAB Cc1cc(NC(=S)NCCCc2cccc3ccccc23)ccc1Br 225808569 PTMWQZYHWOVIRM-UHFFFAOYSA-N 413.384 5.830 0 40 HKAB COC(=O)c1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1C 225858850 IZPOZBLOIUODHC-UHFFFAOYSA-N 402.947 5.191 0 40 HKAB COc1ccc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(F)cc3)O2)c(F)c1 257208453 BMEZRYUHDNBPRI-XJUOHMSHSA-N 403.469 5.097 0 40 HKAB O=C(Cc1cccc(Cl)c1)N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C12CCCCC2 257296815 REMVWBYMLWKFEU-ISKFKSNPSA-N 423.000 5.176 0 40 HKAB Fc1cccc(COc2ccc(CNc3ccc(Br)c(Cl)c3)cc2)c1 408559398 VLPLGGJMTZEDQO-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 408628799 AMRWRQJZHIINRQ-HXUWFJFHSA-N 400.522 5.897 0 40 HKAB CCOc1ccc(/C=C2\N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)cc1 408971755 KRJHVMAWONOQHF-DHDCSXOGSA-N 418.301 5.951 0 40 HKAB Cc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1C1CCCC1 409146198 SBGKDJCFROYQCD-ODLFYWEKSA-N 400.931 6.114 0 40 HKAB COCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 409239313 PITAYHBEYFTFSH-YBEGLDIGSA-N 412.294 5.326 0 40 HKAB CC(C)Cc1nc(CC2CCCC2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265427 POSUGTFCJQWZCF-UHFFFAOYSA-N 416.359 6.141 0 40 HKAB CCCCSc1nc(-c2ccccc2F)nc2c1Cc1c(CO)cnc(C)c1O2 1889089468 FBMDJDGKSQTTHO-UHFFFAOYSA-N 411.502 5.067 0 40 HKAB Cc1nc(C)c(CN2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)s1 2086897026 REMZGSFBNDJETE-UHFFFAOYSA-N 415.566 5.145 0 40 HKAB COc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccncc2)cc1 650003 YLSNPUICYQKSRB-UHFFFAOYSA-N 408.914 5.284 0 40 HKAB COc1ccc(-c2csc(-n3nc(-c4ccc(Cl)cc4)cc3NC(C)=O)n2)cc1 1405136 BQHSMTXQWKHPQB-UHFFFAOYSA-N 424.913 5.283 0 40 HKAB O=C(O[C@H](c1ccccc1)[C@H](OC(=O)c1ccccc1)c1ccccc1)c1ccccc1 1678119 WCKDRBAZAZDBKR-CLJLJLNGSA-N 422.480 6.183 0 40 HKAB CC(C)CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1 1748309 QOWKHSDVQRDYKP-OAHLLOKOSA-N 414.885 5.470 0 40 HKAB CC(C)Cc1nc2sc3c(SCc4ccccc4)ncnc3c2c2c1CCCC2 1788357 RXDATRFWYALGRL-UHFFFAOYSA-N 419.619 6.609 0 40 HKAB Cc1cc(-c2ccc(OCCC(C)C)cc2)cc(-c2ccc(OCCC(C)C)cc2)n1 1792423 KDEQOEFCPYJKCU-UHFFFAOYSA-N 417.593 7.574 0 40 HKAB CCCCCSc1nnc2c(n1)O[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1-2 2084670 DZSYTOOTSOJRNY-FQEVSTJZSA-N 422.510 5.053 0 40 HKAB CCOc1ccc(N2C(=O)/C(=C/c3cc(C(C)C)c(OCC)cc3C)NC2=S)cc1 2168077 UHHKEFQPXVYDHO-STZFKDTASA-N 424.566 5.178 0 40 HKAB CC(C)(C)c1ccc(-c2nnc3sc(-c4ccc(Br)o4)nn23)cc1 2222794 IBHDGYYWMGKOBG-UHFFFAOYSA-N 403.305 5.173 0 40 HKAB COc1ccccc1C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 2652399 IQYBUEQYFZFPCU-UHFFFAOYSA-N 414.324 5.861 0 40 HKAB CCc1c(-c2ccc(OC)cc2)nn(-c2cccc(F)c2)c1-c1ccc(OC)cc1 2733346 OLXTUWYNPLEHNX-UHFFFAOYSA-N 402.469 5.925 0 40 HKAB Cc1nnc(SCCCC(=O)c2ccc(Br)cc2)n1-c1ccccc1 3385847 ASZGBEIAKSULGK-UHFFFAOYSA-N 416.344 5.093 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2oc3ccc(C)cc3c2C)cc1 3655596 WLGVUKYVUZXYCM-UHFFFAOYSA-N 423.468 6.588 0 40 HKAB Cc1nc2c(ccc3nc(NC(=O)c4ccccc4Br)sc32)s1 4173992 SYAKNKDKRALJQK-UHFFFAOYSA-N 404.314 5.229 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(Cl)cc4)c(C)s3)C(=O)[C@@H]21 4178796 ZXAOMJKVEMPICG-MVJTYMMSSA-N 412.942 5.254 0 40 HKAB Oc1c(Cl)cc(Cl)c(Cl)c1Sc1c(O)c(Cl)cc(Cl)c1Cl 4181889 FLBPYLKSSDOEOO-UHFFFAOYSA-N 424.947 7.169 0 40 HKAB Brc1ccc(C2=NN3[C@H](c4cccs4)Oc4ccccc4[C@H]3C2)cc1 4292010 TWHVATIBINPVNU-XLIONFOSSA-N 411.324 5.753 0 40 HKAB CCN(CC)C(=S)S[C@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 4551431 XJYZQGUQQCVVSJ-UWJYYQICSA-N 412.624 5.835 0 40 HKAB CCOc1ccc2nc3sc(C(=O)N4c5ccccc5C[C@H]4C)c(N)c3cc2c1 4848822 WBQYHBIEEBGHOW-CYBMUJFWSA-N 403.507 5.022 0 40 HKAB CCC(=O)Nc1cc(NC(=O)CSc2nc3c(C)cccc3cc2CC)ccc1C 4849305 VCXMYCBDIHCMPH-UHFFFAOYSA-N 421.566 5.493 0 40 HKAB CCOc1ccc2ncc3c(-c4cccc(OC)c4)nn(-c4ccc(C)c(C)c4)c3c2c1 4970281 UNFVMFJAOSNVIO-UHFFFAOYSA-N 423.516 6.265 0 40 HKAB CC(=O)O[C@H]1C/C=C(\C)CCCC(C)(C)[C@@H](OC(=O)c2ccc(O)cc2)/C=C/1C 5638778 OLNKZJLTVQZYLK-CIOKVVNESA-N 400.515 5.342 0 40 HKAB c1ccc(-c2nnc(CSc3nnc(-c4ccco4)n3C3CCCCC3)o2)cc1 5866549 OMOZFXRVXUWCMS-UHFFFAOYSA-N 407.499 5.386 0 40 HKAB CCc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccc(Br)cc1)=N2 6844169 DHCGWISDMBDBEY-UHFFFAOYSA-N 404.311 5.445 0 40 HKAB CCc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CC1=O 7543361 MYPLWYYULIAWSM-HXUWFJFHSA-N 413.496 5.307 0 40 HKAB Cc1cccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)c1 7929066 NSWMXBZQQRGDMW-FQEVSTJZSA-N 413.517 5.279 0 40 HKAB Cc1cccc(Oc2ccccc2NC(=O)[C@H]2CCCN2C(=O)c2cccs2)c1 8343603 CKTHYFVSMLFRBY-LJQANCHMSA-N 406.507 5.092 0 40 HKAB Cc1cccc(-c2cc(NC(=O)COc3ccccc3F)n(-c3ccccc3)n2)c1 8598909 URDXFFIOHSGFPU-UHFFFAOYSA-N 401.441 5.004 0 40 HKAB CN(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)Cc1ccc2ccccc2c1 9579290 QKYIKNIFWDIBJV-UHFFFAOYSA-N 406.835 5.583 0 40 HKAB COc1cccc2cc(-c3csc(NC(=O)/C=C/c4ccccc4Cl)n3)oc12 10748009 RNPJEYYXVZXIGL-MDZDMXLPSA-N 410.882 5.870 0 40 HKAB Cc1ccccc1OCCCCn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 11667340 HGCWSMVXTHKIFH-LJQANCHMSA-N 417.509 5.288 0 40 HKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cccc(Cl)c1Cl 12179234 ZMHSODVNCHUDHO-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB COc1ccc(NC(=O)c2sc(-c3c(F)cccc3OC)nc2C)cc1Cl 12390293 CDRHLEZFHXGFTK-UHFFFAOYSA-N 406.866 5.181 0 40 HKAB COc1ccc(CSc2nnc(COc3ccccc3Cl)n2C2CC2)cc1F 12750312 JUJQGMZJPLUQQY-UHFFFAOYSA-N 419.909 5.285 0 40 HKAB Cc1ccc(C)c(Sc2ccc(NC(=O)CN[C@H](C)c3cccc(Cl)c3)cc2)c1 13040175 PCUFKJWOZKYAIP-GOSISDBHSA-N 424.997 6.397 0 40 HKAB O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccc(Cl)c(Cl)c1 13302956 VVESXDXKQLUTAW-CCHVVGMOSA-N 417.174 6.056 0 40 HKAB C1=C(c2ccccc2)N2N=C(c3ccccc3)O[C@@]23CCCC[C@H]3[C@H]1c1ccccc1 13509588 ZJXHXEHIKDXOSE-CERRFVOPSA-N 406.529 6.405 0 40 HKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1cccc(Cl)c1 14400879 STVPEJBRQJJNOF-MRXNPFEDSA-N 405.991 5.454 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccccc2)c1 14609623 BGBKOHNKCTZBAY-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CC(C)c1ccccc1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 14909751 YXIMHIANGWBLHY-OALUTQOASA-N 408.542 5.231 0 40 HKAB CC(C)c1ccccc1NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 14909754 YXIMHIANGWBLHY-RTBURBONSA-N 408.542 5.231 0 40 HKAB CC(C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 16758002 RGDBVTAIEIUVRL-UHFFFAOYSA-N 424.367 6.351 0 40 HKAB CCCC(=O)Nc1nc2ccc(NC(=O)c3cc4ccccc4cc3OC)cc2s1 17091878 AMWYGDXVRZUXJW-UHFFFAOYSA-N 419.506 5.449 0 40 HKAB O=C(C1CCCC1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373190 SMVRKGUAKSMVDC-JOCHJYFZSA-N 413.525 5.136 0 40 HKAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN3C(=O)c3nccc4ccccc34)c2)c1 19690857 RUDLGLVASYGOBU-SANMLTNESA-N 421.544 5.815 0 40 HKAB COc1ccc(-n2nc(Nc3cccc(C(F)(F)F)c3)c3c2C[C@@H](C)CC3=O)cc1 20796886 NSKIKGODKUATEJ-CYBMUJFWSA-N 415.415 5.408 0 40 HKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 21595335 PVCSFDSVHGQLSC-SDNWHVSQSA-N 421.456 6.110 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N2CCCCCC2)cc1 27994048 OQNJURCBAIBLKY-HSZRJFAPSA-N 418.581 6.014 0 40 HKAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2ccccc2Cl)c1 29059443 VPRCFDSPJCXHSQ-QGZVFWFLSA-N 406.913 5.702 0 40 HKAB COc1cc(/C=C2/CCn3c2nc2scc(-c4ccccc4)c2c3=O)cc(OC)c1 33466816 OTJOAIOHWBIZGS-YVLHZVERSA-N 416.502 5.087 0 40 HKAB Cn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cc2cc(Cl)ccc2o1 33538135 XNTKHPIEINLLNQ-UHFFFAOYSA-N 424.740 6.481 0 40 HKAB CC(C)(C)[C@@H]1C/C(=C/c2cccc(Cl)c2)c2nc3ccccc3c(C(=O)O)c2C1 33888680 NWARGEGVLYRRED-ZFOVBUMHSA-N 405.925 6.736 0 40 HKAB O=C(NCc1ccco1)c1cc(-c2ccc(F)cc2)nc2onc(-c3ccccc3)c12 36618450 VAFGGIPAWPCBSX-UHFFFAOYSA-N 413.408 5.219 0 40 HKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)cc2)C1 38772088 XSFZKFJRMYONGR-AWEZNQCLSA-N 421.766 5.587 0 40 HKAB Cc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)cc1C 41076857 USLXGAKYLJMPAA-UHFFFAOYSA-N 416.546 5.708 0 40 HKAB C[C@H](NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccc2c(c1)CCO2 61252906 QNLOKSBMUVXWCJ-ZETCQYMHSA-N 406.096 5.121 0 40 HKAB O=C(Cc1cccc(Br)c1)NCc1ccccc1COCc1ccccc1 72068835 OGQHPKVJRCQAFX-UHFFFAOYSA-N 424.338 5.025 0 40 HKAB COCc1nc(N2CCCC[C@H]2c2nccs2)c2c(-c3ccccc3)csc2n1 89420396 MSABYMZDRJHMSQ-KRWDZBQOSA-N 422.579 5.693 0 40 HKAB c1ccc(-c2nc(CN3CCC(c4nnc(-c5ccsc5)o4)CC3)cs2)cc1 96024368 ZLDHUUGMEWEXNH-UHFFFAOYSA-N 408.552 5.301 0 40 HKAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)c3csc(C)c3C)CC2)on1 100743717 OQVXEZQLERAKFC-HDICACEKSA-N 424.570 5.131 0 40 HKAB Cn1nc([C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1C(F)(F)F 118926217 OFZZRUVLPSTSGV-ZYFHOJDISA-N 422.535 5.846 0 40 HKAB CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 123186379 VDZDKQBSTYNFGG-GESQZIMISA-N 404.591 5.529 0 40 HKAB CN1CCC(N(Cc2ccc(-c3cccc(F)c3)cc2)Cc2ccccc2Cl)CC1 141530346 CDHQHVZFTKQVRT-UHFFFAOYSA-N 422.975 6.243 0 40 HKAB CCCOc1ccccc1-c1cc(C(=O)Nc2cc(Cl)c3oc(C)cc3c2)[nH]n1 141536778 JYCZQVCGJRNPKE-UHFFFAOYSA-N 409.873 5.826 0 40 HKAB CCN(Cc1nc(-c2cccs2)no1)C(=O)CC(c1ccccc1)c1ccccc1 219133527 HVHJKLFENUOODJ-UHFFFAOYSA-N 417.534 5.369 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Br)cc1F 222922681 NAVBLLGMXVCYQC-GOSISDBHSA-N 408.311 5.682 0 40 HKAB CC[C@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 223109046 PAYIMTGQFNTHCP-BTYIYWSLSA-N 416.359 5.363 0 40 HKAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1C 223397528 FQLLWUFKHBKHLG-LJQANCHMSA-N 424.009 7.049 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)NCCOc3ccc(Cl)cc3)cc2)cc1 223457589 VWTYNNYWDOXSHZ-UHFFFAOYSA-N 411.954 5.750 0 40 HKAB CCC1(CC)C[C@H](NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c2ccccc2O1 223650154 NMZLCGJICMEQCF-KXBFYZLASA-N 403.975 6.019 0 40 HKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 224267772 IWUFMKLMISJRTH-VWLOTQADSA-N 420.597 5.102 0 40 HKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccc(C)c(C)c1 224286302 LTBZYBIWOBMLBJ-UHFFFAOYSA-N 409.913 5.474 0 40 HKAB O=C(Nc1ccc2c3c(cccc13)CC2)C1CCN(Cc2c(F)cccc2Cl)CC1 224550437 BPBKVNXWFBJDOJ-UHFFFAOYSA-N 422.931 5.582 0 40 HKAB CCOc1ccc(C(=O)N2CCCCCC2)cc1COc1ccc2ccccc2c1 224644626 FTKCLNGYDWVAFN-UHFFFAOYSA-N 403.522 5.834 0 40 HKAB O=C(CSc1c[nH]c2ccccc12)N1CCS[C@@H](c2cc(F)ccc2F)CC1 225743759 PDRRBXVNBBHCMH-LJQANCHMSA-N 418.534 5.245 0 40 HKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225745801 LKZSARKEWIKOOG-OFVILXPXSA-N 418.622 5.644 0 40 HKAB CC(C)Oc1cccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)c1 225867939 SBOSQCKSFJZENA-UHFFFAOYSA-N 417.018 6.359 0 40 HKAB Cc1cc(N)cc(Br)c1NC(=O)c1cc(Br)ccc1Cl 227146888 YJKMAJGPQGXZSO-UHFFFAOYSA-N 418.516 5.008 0 40 HKAB O=C(Nc1ccccc1N1CCCC1)c1ccc(-c2ccc(Cl)cc2Cl)o1 408622699 QTTOYYPHWOSZDQ-UHFFFAOYSA-N 401.293 6.106 0 40 HKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S2)cc1 408781271 BCKWTSDAIZXUSU-FVIVVMBBSA-N 402.519 5.641 0 40 HKAB CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O 408821616 JKWCCKHILRAJDF-NVNXTCNLSA-N 412.269 5.378 0 40 HKAB COc1ccc(CCCC(=O)Nc2ccc(Br)cc2C(C)C)c(C)c1 408908111 DOIKZHNOCSJMEE-UHFFFAOYSA-N 404.348 5.851 0 40 HKAB C[C@H](NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1 409063438 KUAXGMZYUBBOAQ-FQEVSTJZSA-N 412.533 5.083 0 40 HKAB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)N(CC(C)C)c4ccccc43)c2c1 409122203 YPVGHSMSGXAIDL-JLPGSUDCSA-N 415.533 6.180 0 40 HKAB Cc1ccc(CNC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@H](c2ccccc2)N3)cc1 409171564 DRGXBSZDVSNYEH-CFHRKGSBSA-N 422.572 6.222 0 40 HKAB Cc1ccc(COc2ccc(Br)cc2CNc2ccccc2Cl)cc1 409179576 SIISYZWDUYOMQH-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB C1CC[C@H]2[C@@H](C1)CC[C@H]1OP(N3CCOCC3)O[C@H]3CC[C@H]4CCCC[C@H]4[C@H]3[C@@H]21 605657969 YEXACWBKUOEFKR-ASUROZMXSA-N 421.562 5.762 0 40 HKAB CC(C)C(=O)N1CCCCCCCN(C(=O)c2ccc(F)cc2)Cc2ccccc21 643588639 IXIZIRCHHPDEDR-UHFFFAOYSA-N 410.533 5.421 0 40 HKAB CC(C)CC[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@@]12C 1529045332 RZPAXNJLEKLXNO-KWEPRIJMSA-N 402.663 6.360 0 40 HKAB O=C1N(c2ccsc2)CC[C@]12CN(Cc1ccc(F)c(F)c1)C[C@H]2c1ccccc1 2055759406 VKNFKINIQJZTEJ-GBXCKJPGSA-N 424.516 5.049 0 40 HKAB O=C(/C=C/c1ccco1)Nc1scc(-c2ccc(Br)cc2)c1C(=O)O 708880 DKDXOSZZKFDCTB-BQYQJAHWSA-N 418.268 5.121 0 40 HKAB COc1cc([C@@H](Nc2cc(C)ccn2)c2c(C)[nH]c3ccccc23)cc(OC)c1OC 956939 QHAJALHBVLWHFZ-XMMPIXPASA-N 417.509 5.407 0 40 HKAB COc1ccc(Nc2ncc(F)c(Nc3ccc(OC)c(Cl)c3)n2)cc1Cl 1079372 ARYRWGCJHFZYEP-UHFFFAOYSA-N 409.248 5.427 0 40 HKAB S=C1CO[C@@H](c2ccc(Br)cc2)N1c1ccc(Br)cc1 1099816 CWCUGLRMOWOXIM-HNNXBMFYSA-N 413.134 5.074 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(F)cc3)C3CCCC3)cc2c1 1327104 KRLBERFMZUIWKN-UHFFFAOYSA-N 407.489 5.206 0 40 HKAB Clc1ccc(-c2c(-c3ccccc3)c(Cc3ccccc3)nn2-c2ccccc2)cc1 1719999 QSPDBEJYYVXLTI-UHFFFAOYSA-N 420.943 7.451 0 40 HKAB Cc1ccc(C(=O)Nc2scc(-c3ccc(Br)cc3)c2C(=O)O)cc1 2227069 ZUZDRCXIYNNPQO-UHFFFAOYSA-N 416.296 5.437 0 40 HKAB Cc1nn(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2)c(-c2ccccc2)c1=O 2345246 RPZGTCSDEZNMNO-UHFFFAOYSA-N 415.880 5.114 0 40 HKAB CCOc1ccc2c(c1)c1nnc(-c3ccc(F)cc3)c-1cn2Cc1ccc(F)cc1 2690596 FAZJGNRMZLHAJA-UHFFFAOYSA-N 415.443 5.928 0 40 HKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(Cl)c3)oc12 2951376 PQNYMXXBTYFVSN-NMWGTECJSA-N 411.870 5.036 0 40 HKAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccccc1Sc1ccccc1 3276288 SULHPDYAEJFVDD-UHFFFAOYSA-N 414.486 5.182 0 40 HKAB CCC[C@@H](CNC(=O)COC(=O)c1sccc1C)c1ccc(Cl)cc1Cl 3277462 LYHYGBWKWPTEEL-ZDUSSCGKSA-N 414.354 5.220 0 40 HKAB O=C(COc1ccc(Oc2ccccc2)cc1)c1c(-c2ccccc2)[nH]c2ccccc12 3330210 IJSJZRZUGQBTLY-UHFFFAOYSA-N 419.480 6.889 0 40 HKAB Cc1ccc(OC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C(C)(C)C)c1 3363536 TYDXFPYYSXLYKK-UHFFFAOYSA-N 424.993 7.457 0 40 HKAB COc1ccc(-c2c(C)c3cc(OCc4ccccc4F)ccc3oc2=O)cc1OC 4340807 ZQYBYLOTMDVTPL-UHFFFAOYSA-N 420.436 5.504 0 40 HKAB biogenic CCC1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 5016883 UXJOQBCDHQGGNY-BFDGSKQISA-N 410.945 6.189 0 40 HKAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2Cl)o1 5100311 RYTPEQQOLSFIHJ-DOMZBBRYSA-N 411.955 5.627 0 40 HKAB CCc1ccc(CCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)o1 5234457 HTJQVYDTOSTCIZ-UHFFFAOYSA-N 409.338 5.767 0 40 HKAB Nc1ccc(SCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 5390339 HZCGIUIRBRUURJ-UHFFFAOYSA-N 411.570 6.370 0 40 HKAB COc1ccc(-c2c(NC(=O)C3CCCCC3)oc3c(C)cccc3c2=O)cc1OC 5483900 WNEKMRQJPUCZGP-UHFFFAOYSA-N 421.493 5.304 0 40 HKAB biogenic Nc1nc(=S)[nH]c2sc3c(c12)C[C@H](c1ccccc1)S[C@@H]3c1ccccc1 5650136 NYQMACXJRIQVAL-NVXWUHKLSA-N 407.589 6.056 0 40 HKAB N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NCCc1ccccc1 5872145 HACCKWAUFZRGJZ-FOWTUZBSSA-N 411.288 5.519 0 40 HKAB COC(=O)c1ccc2nc(NC(=O)c3ccc(Oc4ccccc4)cc3)sc2c1 6441064 XWBBMSNAPVFISQ-UHFFFAOYSA-N 404.447 5.128 0 40 HKAB CCCCOc1ccc(C2=NNC(c3ccccc3)=Nc3c2ccc2ccccc32)cc1 6480992 VJKAZBAOMQFNES-UHFFFAOYSA-N 419.528 6.453 0 40 HKAB CN(Cc1cccc(F)c1)c1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 6559926 WQUQMJKNIPUOJD-UHFFFAOYSA-N 404.514 5.408 0 40 HKAB O[C@]1(c2ccccc2)[C@@H](c2ccccc2)C[C@H](c2ccccc2)[C@@]1(O)c1ccccc1 6618373 FTSXSXLOHBZBNZ-OLQMUTRHSA-N 406.525 5.733 0 40 HKAB Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O 6628605 ATBYFVTWYSTZSY-NRFANRHFSA-N 401.554 5.836 0 40 HKAB Cc1cc(C)c(C)c(Cn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1C 6752581 VPZQUQRXRLRQFP-UHFFFAOYSA-N 417.597 5.557 0 40 HKAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1cccc2ccccc12 7345785 QUUQWADIWVJBQQ-UHFFFAOYSA-N 405.910 5.678 0 40 HKAB Cc1csc(N(C(=O)/C=C/c2ccc(-c3ccccc3F)o2)c2ccccc2)n1 7777953 ZCJQDBZFQLTULQ-WYMLVPIESA-N 404.466 6.229 0 40 HKAB CC(=O)c1cc2c(cc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1)OCO2 7986157 MUAFRCRDJPVDID-JOCHJYFZSA-N 405.475 5.090 0 40 HKAB Cc1cc(C(C)(C)C)ccc1SCc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 8306360 JYRPRRZQULWXHG-UHFFFAOYSA-N 424.009 7.491 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(C)c(S(=O)(=O)Nc3ccccc3Cl)c2)s1 8696108 SRMFEERIQSVHRV-UHFFFAOYSA-N 420.943 5.071 0 40 HKAB CCN(CC)CCOC(=O)c1ccc(NCCC(=O)c2ccc(C(C)(C)C)cc2)cc1 8783322 OTAGGRZZZJCOQI-UHFFFAOYSA-N 424.585 5.168 0 40 HKAB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)N(c2ccc(F)cc2)C3=O)cc1 9011893 HVWSVCWJMQHICF-HSZRJFAPSA-N 401.416 5.413 0 40 HKAB Cc1ccc(NC(=O)[C@H]2CCCc3sc(NC(=O)c4ccccc4)nc32)c(C)c1 9072126 UTSQQPHMOJMKNX-KRWDZBQOSA-N 405.523 5.071 0 40 HKAB COc1ccccc1N(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1cccc(C)c1 9374654 JEUWYXRUONIPHJ-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2cccc3c2O[C@@H](C)[C@@H]3C)cc1 9499342 BDTFDAJBVYQITI-HOTGVXAUSA-N 416.477 5.084 0 40 HKAB CC(C)(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc1 9660193 PRWPHRKQHDENHS-UHFFFAOYSA-N 415.464 6.149 0 40 HKAB biogenic COc1ccc(OC)c(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c1 10512270 SZSQFYLRSAKCQH-UHFFFAOYSA-N 422.510 5.010 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(Cl)cc2)OC3=O)c(C)c1 11689835 PDCYYCCFMXCNAF-JOCHJYFZSA-N 405.881 5.663 0 40 HKAB Brc1c(-c2ccc3c(c2)OCO3)nc2ccccc2c1-c1ccccc1 12631648 ABBSCUGKOHTYBN-UHFFFAOYSA-N 404.263 6.060 0 40 HKAB CCCc1noc([C@@H](C)Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)n1 13003257 MKUVCSYEFMLGCW-OAHLLOKOSA-N 423.517 5.321 0 40 HKAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(Cl)c3)[C@@H]2c2cccs2)cc1 13096697 LLDJTMQXNIEOIY-DENIHFKCSA-N 424.953 5.833 0 40 HKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 13710497 AZXWFZONNUIMOY-FQEVSTJZSA-N 405.563 6.310 0 40 HKAB CCN(CC)C(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 13717259 QJYKRAXVEFYPDQ-UHFFFAOYSA-N 417.534 6.003 0 40 HKAB Cc1ccc(C)c(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccs2)c1 13768558 KPNAFISFWCBNJZ-UHFFFAOYSA-N 402.519 5.362 0 40 HKAB CCCCn1nc(C)c2c(C(=O)N[C@@H](C)c3ccc(C)cc3C)cc(C3CC3)nc21 13961427 SEQDEUJMLFZWKN-KRWDZBQOSA-N 404.558 5.525 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(N(C(=O)c3ccc(C)cc3)c3ccccc3)cc2)cc1 16292042 DGYFFYBPJMVENC-UHFFFAOYSA-N 420.512 6.534 0 40 HKAB CC(C)c1ccc(Cc2nnc(Nc3ccc(Nc4ccccc4)cc3)nc2O)cc1 16777473 CVDLGOPQXCFKSV-UHFFFAOYSA-N 411.509 5.779 0 40 HKAB COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cc3ccc(F)cc3Cl)n2)c1 17093314 HKULMQHPRMEOKX-UHFFFAOYSA-N 422.887 6.075 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CC(O)=Nc2cc(-c3ccccc3)nn21 20728073 RHQXRRJLJQOHGD-HNNXBMFYSA-N 401.253 5.028 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Nc1ccccc1Br 22072740 OSMYSJWIDPQPMP-UHFFFAOYSA-N 420.669 5.633 0 40 HKAB CCn1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(=O)c2cc(C)ccc21 22234726 NDJFZCGUTCHWRK-UHFFFAOYSA-N 408.807 5.254 0 40 HKAB O=C(NCc1ccc(-c2ccc(F)cc2)o1)c1ccc(C2SCCCS2)cc1 22993044 YSHHGFJWABAUPZ-UHFFFAOYSA-N 413.539 5.884 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Nc1cccc(NC(=O)Nc2ccccc2)c1 24984733 GSGPVEMNENABPZ-MRXNPFEDSA-N 422.916 5.732 0 40 HKAB CCCCc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn23)cc1 27586057 WGFMHPAVIJEZRT-UHFFFAOYSA-N 418.544 7.150 0 40 HKAB Nc1c(Cl)cc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1Cl 28818685 UQDYQRSGSQTQFX-UHFFFAOYSA-N 424.291 5.076 0 40 HKAB CCOC(=O)c1cc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)ccc1Cl 30755781 AMDHZDRUTIEQMP-INIZCTEOSA-N 414.933 5.001 0 40 HKAB c1ccc(CCN(CCc2ccccc2)[C@@H](Cc2ccccc2)c2ccccc2)cc1 31924194 QECHIDNDDFXCQK-PMERELPUSA-N 405.585 6.758 0 40 HKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1-c1ccc(Cn2cccn2)cc1 32901962 OJQLOUAFLLGXIY-UHFFFAOYSA-N 411.549 5.297 0 40 HKAB Cc1ccc(-c2nn(Cc3ccccc3Cl)c(-c3ccc(C)cc3)c2Cl)cc1 36611628 FDBNJQCPKIXDNG-UHFFFAOYSA-N 407.344 7.189 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38849441 UYMLDHWVRZHGQF-INIZCTEOSA-N 407.341 5.161 0 40 HKAB O=C(Nc1nnc(SCc2ccccc2)s1)[C@H]1CCC[C@@H](C(F)(F)F)C1 40140435 BCVOWEPXYUZUIC-QWHCGFSZSA-N 401.479 5.138 0 40 HKAB COc1cc([C@H]2CC(O)=Nc3c(-c4ccc(Cl)cc4)nsc32)cc(OC)c1O 44900560 MGXUYUFPEANYMI-CYBMUJFWSA-N 416.886 5.310 0 40 HKAB O=C(CSC1=Nc2ccccc2N=C(c2ccccc2)C1)Nc1ccccc1F 49422286 OLYFWUOPFHSQDZ-UHFFFAOYSA-N 403.482 5.752 0 40 HKAB O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1 67296340 SCECEDDYNQXCQF-MEFGMAGPSA-N 409.367 5.331 0 40 HKAB FC(F)(F)Oc1ccc(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 71761671 PBMNLVBZSWWUPI-UHFFFAOYSA-N 414.758 6.066 0 40 HKAB COc1cc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)ccc1OC(F)F 89426973 HPZLGPUOPPLKDZ-RAXLEYEMSA-N 405.422 5.312 0 40 HKAB Cc1ccccc1NC(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96038140 QPOICPGUVMSAFJ-UHFFFAOYSA-N 410.452 5.492 0 40 HKAB O=C(CCc1ccccc1Br)N(Cc1ccsc1)Cc1ccco1 96120260 MVDZWBYGAJHZIR-UHFFFAOYSA-N 404.329 5.265 0 40 HKAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCCN(C(=S)Nc1ccccc1)C1CCCCC1)C2 100728826 WXKBIDBDHLMSPC-JTJYXVOQSA-N 414.659 6.250 0 40 HKAB CCc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccc(C)cc3)c2c1 100894478 JJWAVZPGDANQGE-UHFFFAOYSA-N 416.546 5.990 0 40 HKAB O=C1[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@]1(Cl)C(Cl)=C(Cl)C[C@]21Cl 104260147 JVMCOWBFDITPOH-XKNYDFJKSA-N 421.749 5.275 0 40 HKAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3cc(C(F)(F)F)[nH]n3)CC[C@@H]12 118915690 VDGOOKRFIJJCSX-UVIRFKSWSA-N 410.524 5.916 0 40 HKAB in-vitro CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Cl)c(OC)c(Cl)c3)N21 222667731 ACLCDJWGWRXWNO-JCURWCKSSA-N 408.354 5.376 0 40 HKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc4ccccc4c3)N21 222710749 CKVQKPLVCNPPOJ-BUUDZMLXSA-N 424.573 6.005 0 40 HKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(C(=O)O)cc4)o3)N21 222713051 VPQWQLNJPNQOEF-ORYQWCPZSA-N 419.506 5.019 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1cccc(C)c1 224117607 AXSCXZWXVZVDRQ-KRWDZBQOSA-N 409.913 5.727 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 224214711 UZDYNFOCDDCMID-RPWUZVMVSA-N 411.530 5.827 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)c1 224242467 JTPBPJDQUFRQNE-LOSJGSFVSA-N 424.573 5.666 0 40 HKAB COc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc2ccccc2c1 224310490 KNUGPEOIJFVTDK-UHFFFAOYSA-N 411.501 5.400 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccccc1Cl 224476420 WLDPBKDXPMERPZ-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccc(Cl)cc1 224496560 NBQBQHHMSTUQGP-UHFFFAOYSA-N 401.934 5.770 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(F)cc3)o2)cc1 224917716 BZWCBBFJQHSTSY-UHFFFAOYSA-N 402.425 5.799 0 40 HKAB CCOC(=O)c1cccc(NC(=S)NC(c2ccccc2)c2ccccc2)c1C 225519518 ICHZGFMPGSGJTH-UHFFFAOYSA-N 404.535 5.248 0 40 HKAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225641083 UPXGYUMUWCHZLH-LJQANCHMSA-N 422.619 6.041 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(OCCCN3CCCCC3)cc2)CCC[C@H](C)C1 225663977 VACMZFWGDKPIKW-SQJMNOBHSA-N 416.606 5.255 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCC2)ccc1OCC(C)C 225678650 LRCUGQAYZYPBLT-UHFFFAOYSA-N 423.553 5.657 0 40 HKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225885380 XXSFRZMRWBSOLU-UHFFFAOYSA-N 400.563 5.686 0 40 HKAB Cc1ccc2oc(=O)c(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2c1 226037637 HVHNYTJKURHFID-UHFFFAOYSA-N 405.837 5.799 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)c1cnc(OC2CCOCC2)c(Cl)c1 253471856 GFVWKQPPRQQCQB-UHFFFAOYSA-N 408.885 5.212 0 40 HKAB COc1ccccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257321658 WCPPKMPBPWOPPV-HXUWFJFHSA-N 410.901 5.295 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)cc4C)C3)cc2)cc1 408644218 SBDVAWLMDWSBCF-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3C)nn2-c2cccc(C)c2)cc1 408725405 OOVBMJNRJSVGAL-UHFFFAOYSA-N 409.533 6.334 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3nc(SCc4ccccc4Cl)sc3c2)cc1 408751093 WJMRZELOXCNOPB-UHFFFAOYSA-N 424.978 6.803 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)c1sc2cc(Cl)cc(Cl)c2c1Cl 408973583 ZBRIUYXCWFUWQB-UHFFFAOYSA-N 424.658 7.133 0 40 HKAB COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Cl)c1OC(C)C 409137781 XVCJNGFLLLITSN-WOJGMQOQSA-N 423.962 5.752 0 40 HKAB Fc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 409194299 AEXVTYQTSOWIKC-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB CC(C)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1 409205571 QQCGKAVDAIKQNC-UHFFFAOYSA-N 404.293 6.541 0 40 HKAB Cc1ccc(C(=O)N(C)Cc2ccc(F)c(F)c2)cc1NC(=O)Nc1ccccc1 525470784 CAFCVFQYUYGRFJ-UHFFFAOYSA-N 409.436 5.189 0 40 HKAB COc1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(C)cc23)c1 792091 DCKVZVGMFROHJI-UHFFFAOYSA-N 415.518 5.345 0 40 HKAB CSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc(Cl)cc3)o1)Nc1ccccc1-2 822562 POQDMILISXOHOB-LJQANCHMSA-N 422.897 5.677 0 40 HKAB O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc2c(c1)OCCO2 850300 YYNYIGNUHDAREE-UHFFFAOYSA-N 406.825 5.172 0 40 HKAB CC(=O)c1nn(-c2ccc(Br)cc2)cc1C(=O)c1cccc2ccccc12 988020 RHDRTHSNRHFKBT-UHFFFAOYSA-N 419.278 5.222 0 40 HKAB CCc1cc([C@@H](c2ccc(Cl)cc2)N2CCCC2)c(NC(=O)c2ccccc2)s1 1298731 KUODAOXXMGDQLW-JOCHJYFZSA-N 424.997 6.401 0 40 HKAB CCCC[C@H](CC)CNC(=O)c1c(C)c(-c2ccc(OC)cc2)nc2ccccc12 2081727 ZGHWZVUNOHVSNO-IBGZPJMESA-N 404.554 6.165 0 40 HKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc(C)c(C)c1C(=O)OC(C)C 2085526 RGSYLCOVPKLUNF-UHFFFAOYSA-N 423.962 5.690 0 40 HKAB FC(F)(F)c1ccc(-c2nn3c(-c4ccc(C(F)(F)F)cc4)nnc3s2)cc1 2182969 UIROPXDPZMCEOK-UHFFFAOYSA-N 414.334 5.557 0 40 HKAB COC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCCCCC2 2186137 HOHVSUTYABGLIK-UHFFFAOYSA-N 411.445 5.465 0 40 HKAB CC(C)Sc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 2258710 GGUZLOUGGBRGHO-UHFFFAOYSA-N 411.552 5.851 0 40 HKAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCC(=O)OC(C)C)CCCC3 3234297 BVNLZYIFHDMKGS-UHFFFAOYSA-N 400.515 5.125 0 40 HKAB Cc1nc(NC(=O)c2ccc(OCC(C)C)cc2)sc1Cc1ccc2c(c1)OCO2 3445023 UBVUSOOQHOCYMA-UHFFFAOYSA-N 424.522 5.058 0 40 HKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(S[C@H](C)C(C)=O)ncnc32)cc1 3660257 XLORYTPLNCWILW-QGZVFWFLSA-N 417.534 5.556 0 40 HKAB Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CNC1CCCC1 4189343 FGNADUILVGVYEB-RUZDIDTESA-N 424.588 6.177 0 40 HKAB CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 4280308 OAQLKYHDJXVXTR-JOCHJYFZSA-N 410.477 5.220 0 40 HKAB Cc1[nH]c2ccccc2c1C(c1ccc(C(F)(F)F)cc1)c1c(C)[nH]c2ccccc12 4294116 AMYPIXHXQDLHCB-UHFFFAOYSA-N 418.462 7.465 0 40 HKAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 4677200 FZBAEKMJQKUNNV-CIAFOILYSA-N 407.828 5.403 0 40 HKAB CN(C)c1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)cc1 4735123 PIBTUZGGSQQERJ-UHFFFAOYSA-N 406.873 5.193 0 40 HKAB CCOc1cc(C=O)cc(Br)c1OCc1ccc(Br)cc1 4739218 RKMUWOGHEQIAGH-UHFFFAOYSA-N 414.093 5.002 0 40 HKAB COc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2C(=O)C(C)(C)C)cc1 4816882 FMBDJPAHUUUOAB-WOJBJXKFSA-N 424.932 5.054 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nc3ccccc3o2)c2ccccc2)c1 5628614 LYELUZMUZKULDZ-OAQYLSRUSA-N 402.475 5.503 0 40 HKAB CCCCCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C)c2Cl)cc1 5860699 GUVJWOISZDOXME-UHFFFAOYSA-N 402.343 5.672 0 40 HKAB COc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 6208552 RNMDUDXQCWOLJE-IBGZPJMESA-N 404.897 5.392 0 40 HKAB Cc1cc(C)c(CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c(C)c1 6255217 ORWFENBZSVKEGZ-UHFFFAOYSA-N 418.587 6.766 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)CSc1nnc(NCc2ccccc2)s1 6790653 QTSBKYCWYPQBRJ-UHFFFAOYSA-N 412.584 5.313 0 40 HKAB C=CCOc1ccccc1/C=C1/SC(Nc2ccc(Cl)cc2Cl)=NC1=O 6856120 ASWFBDIZHLJWSC-LICLKQGHSA-N 405.306 5.641 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cc3ccccc3o1)CC2 7408669 OUNSGBJRYQHYDG-QHCPKHFHSA-N 419.502 5.299 0 40 HKAB Cc1cc2occ(CC(=O)OCc3csc(-c4ccccc4Cl)n3)c2cc1C 7990933 PLHNJZJRRIOLAW-UHFFFAOYSA-N 411.910 6.112 0 40 HKAB CCOc1cc(CNCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 8253963 MDYYXWSMICMKTI-UHFFFAOYSA-N 416.348 6.261 0 40 HKAB CSc1nc(NCc2cccnc2)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 8657513 GHMZLTALWHOZFN-UHFFFAOYSA-N 421.595 5.581 0 40 HKAB Cc1nc2ccc(Br)cc2c(Nc2ccccc2)c1CC=C(Cl)Cl 8934224 ILKQPEGYGJYPAK-UHFFFAOYSA-N 422.153 6.911 0 40 HKAB Cc1cccc(-c2nnc(SCc3nc4ccccc4s3)n2Cc2ccco2)c1 9254725 SXMPVHQKMQBGSO-UHFFFAOYSA-N 418.547 5.797 0 40 HKAB CCn1c(SCc2c(Cl)cccc2Cl)nc2nc3c(cc2c1=O)CCCC3 9459408 SXLUHIHABTYAQT-UHFFFAOYSA-N 420.365 5.289 0 40 HKAB CC(=O)c1sc2nc(CSc3cc(C)c4cc(C)cc(C)c4n3)[nH]c(=O)c2c1C 9492726 CQZLDHAMJUPPOO-UHFFFAOYSA-N 423.563 5.261 0 40 HKAB COc1ccc(Cl)cc1C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 9666853 SWLMTOMYTZRCFE-UHFFFAOYSA-N 421.349 5.632 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C1\C(=O)Nc2cc(Cl)ccc21 12571867 QAXKVARJMZNSAF-SXGWCWSVSA-N 404.684 5.634 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(CSC(F)F)o1 12936192 RRBODJBOIPSFDP-UHFFFAOYSA-N 400.406 5.796 0 40 HKAB CCOc1ccccc1-c1noc(CS[C@H](C)C(=O)Nc2c(C)cccc2C)n1 13020851 GRAJOKUPJJRXFY-MRXNPFEDSA-N 411.527 5.013 0 40 HKAB Cc1ccc(C(=O)[C@H](C)Sc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1C 13988018 YEXOHQBCSPSBEB-ZDUSSCGKSA-N 421.012 6.297 0 40 HKAB COc1cccc(C(=O)c2oc3cc(NC(=O)c4ccccc4OC)ccc3c2C)c1 15729372 QMTXZIYBCWOBKA-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB biogenic Cc1ccccc1[C@H](C)NC(=O)C1CCC(C(=O)N[C@@H](C)c2ccccc2C)CC1 15762061 JPWRQPVERZCCDK-PHZLKFDYSA-N 406.570 5.164 0 40 HKAB O=C(OCc1ccc(C(F)(F)F)cc1)c1nccnc1-c1nc2ccccc2s1 16674528 URBRGRNISXJRBB-UHFFFAOYSA-N 415.396 5.129 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(C)c4)nccn3n2)cc1 17051567 NJQZUPNAJQHEGQ-UHFFFAOYSA-N 402.523 5.052 0 40 HKAB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c(C)c1 17088709 PMBMQWLBLKRTBS-FMIVXFBMSA-N 410.926 5.743 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 17091183 VRNZWACHKKEYBX-UHFFFAOYSA-N 417.559 5.653 0 40 HKAB c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCCN3Cc3cccnc3)n2)cc1 19373053 WLNJUTOTEBFGES-DEOSSOPVSA-N 422.536 5.404 0 40 HKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2C)cc1 20970135 SCLRNICHOBFHKS-VWLOTQADSA-N 422.532 5.835 0 40 HKAB Cc1ccc(CN2C(=O)N(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc32)cc1 21117707 DMSUEWDCXCYKLU-UHFFFAOYSA-N 420.534 5.454 0 40 HKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)COc4ccccc4F)c3)oc2cc1C 21578897 KMAFLMWZLJZZCR-UHFFFAOYSA-N 404.441 5.577 0 40 HKAB Cc1ccc(-c2nnc([C@@H](C)Sc3nc(-c4ccco4)nc4ccccc34)o2)cc1 22188876 UUIGHSSRKFSZQK-OAHLLOKOSA-N 414.490 6.102 0 40 HKAB O=C(c1cc2ccccc2oc1=O)N(Cc1cccc2ccccc12)c1ccccn1 27662829 ZPEFCRZSHRNJGU-UHFFFAOYSA-N 406.441 5.188 0 40 HKAB O=C(Nc1cccc(Cl)c1)N(Cc1nc2n(n1)CCCCC2)c1ccc(F)cc1 28527594 WLONBRXLBHJIEG-UHFFFAOYSA-N 413.884 5.036 0 40 HKAB O=C(c1cc(Br)ccc1F)N1CCC[C@@H]1c1nc2ccccc2s1 31393810 DQLWPTRGWMIOSM-OAHLLOKOSA-N 405.292 5.175 0 40 HKAB C[C@@H]1SC2(CCC(C(C)(C)C)CC2)N(c2ccc(Oc3ccccc3)cc2)C1=O 32119709 WPPUOCBICPDQGG-ONSGGECDSA-N 409.595 6.880 0 40 HKAB O=C(Nc1cccc(-c2nc(-c3ccccc3)no2)c1)c1cc(-c2cccs2)on1 32594052 XTVYJTVGHHIZOO-UHFFFAOYSA-N 414.446 5.372 0 40 HKAB COC(=O)c1c(C)[nH]c(-c2ccc(Cl)cc2Cl)c1[C@@H]1C(=O)Nc2ccccc21 36354252 YEUGZFGNLDLMFX-QGZVFWFLSA-N 415.276 5.168 0 40 HKAB O=C(c1ccsc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2nccnc2c1 58047304 VSZYSJFBSKFHFZ-OAQYLSRUSA-N 418.909 5.336 0 40 HKAB Cc1nnc(SCC(=O)N(c2ccccc2)C2CCCCC2)n1C1CCCCC1 58170346 VEGYCKSCJQBLFK-UHFFFAOYSA-N 412.603 5.550 0 40 HKAB O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 72230050 QZIJWPTUJUWXTQ-OAQYLSRUSA-N 402.277 5.093 0 40 HKAB CN(C)c1nc2ccccc2cc1CN1CCC[C@@H]1c1ccc(Nc2ccccn2)cn1 72353092 AINKQWYRSDDCFE-XMMPIXPASA-N 424.552 5.172 0 40 HKAB COc1ccc2nc(Cl)c([C@H]3CC(c4cccc(Cl)c4)=NN3C(C)=O)cc2c1 89930415 IWADUCOWMRKQKA-HXUWFJFHSA-N 414.292 5.248 0 40 HKAB CCC(=O)N1N=C(c2ccc(CC)cc2)C[C@@H]1c1cc2ccc(OC)cc2nc1Cl 95115949 LZHFVFBHWSDBCU-JOCHJYFZSA-N 421.928 5.547 0 40 HKAB Cc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@H](c3cccc(C)c3)C2)cc1 95116693 NFHZXHDYLGRWRU-IBGZPJMESA-N 423.310 5.650 0 40 HKAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2NC(c1ccccc1)(c1ccccc1)c1ccccc1 100367369 RDWRBYXTTMJESU-OARDWFSCSA-N 409.573 5.962 0 40 HKAB Cc1ccc([C@H]2CC3=Nc4nc(C)nn4[C@H](c4cc(F)cc(F)c4)C3=C(O)C2)cc1 102668146 KFPOPNLSZLBUJV-OYHNWAKOSA-N 406.436 5.238 0 40 HKAB COc1cccc([C@H]2C3=C(O)C[C@@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)c1 102731778 KFGYHJXYFUCIBA-KSFYIVLOSA-N 402.450 5.305 0 40 HKAB CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 106736807 RJOWZUHUPPJHSM-ZDLGFXPLSA-N 405.878 5.503 0 40 HKAB Brc1ccc(-c2ccc(CNc3ccc(N4CCOCC4)cc3)o2)cc1 106951587 WJSGWOUZRHEXBT-UHFFFAOYSA-N 413.315 5.158 0 40 HKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 216235794 XWEGLSWHKKAPPF-LJQANCHMSA-N 408.542 5.232 0 40 HKAB Ic1cccc(-c2nc3cc(CN4CCCCC4)ccc3o2)c1 216839259 NEQHDKCNCPYORP-UHFFFAOYSA-N 418.278 5.085 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219349884 UMVABLHHTTYSCU-PKTZIBPZSA-N 403.522 5.724 0 40 HKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)c(Cl)c2)S1 222599289 RCLDOPKBIPWPQT-CWVNLOTRSA-N 412.921 5.254 0 40 HKAB CC[C@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCCC2 223077238 FCYGBWFVRYWSAJ-FQEVSTJZSA-N 412.382 5.443 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223100206 VQVJCBUATYWDOE-YADHBBJMSA-N 402.003 6.357 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 223582944 MTFIGNMAHATBFR-UHFFFAOYSA-N 417.593 6.604 0 40 HKAB COc1cc2c(cc1S(=O)(=O)Nc1ccccc1Oc1ccccc1)CCCC2 223626208 DTUULAMUVASPFM-UHFFFAOYSA-N 409.507 5.167 0 40 HKAB Cc1nc(NC(=S)NCC2(c3ccccc3)CCCCC2)ccc1Br 223991008 DEKQUVNMCHGBCN-UHFFFAOYSA-N 418.404 5.341 0 40 HKAB Fc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224175841 JODBUPGDYZABAC-DHIUTWEWSA-N 414.509 5.189 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)c2ccc(CN3CCCCCC3)cc2)c2ccccc2O1 224981253 OSQWEGYHQRAHQD-XMMPIXPASA-N 420.597 5.875 0 40 HKAB CCn1c(=O)sc2cc(NC(=O)c3ccc(CSc4ccccc4)cc3)ccc21 225075764 TXRYSBDTAAZGPF-UHFFFAOYSA-N 420.559 5.628 0 40 HKAB Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4cccc(Br)c4)cc3)nc2c1 225261735 ICFQUXFVUIVBFE-UHFFFAOYSA-N 406.283 5.553 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 225555856 KKUUHQHGTAMFGP-UHFFFAOYSA-N 406.353 6.621 0 40 HKAB C[C@H](O)c1ccc(C2(CNC(=O)c3ccc(-c4ccsc4)cc3)CCCC2)s1 225682940 VIACHLPIMLZKEX-INIZCTEOSA-N 411.592 5.772 0 40 HKAB Cc1[nH]c2ccc(C(=O)N(CC(=O)O)Cc3ccc(F)c(Cl)c3)cc2c1C(C)C 257224334 FBJHOULHZGPZKI-UHFFFAOYSA-N 416.880 5.119 0 40 HKAB Cc1nc(C)c(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)s1 257261895 LJFSMPADOJKLJP-INIZCTEOSA-N 415.946 5.012 0 40 HKAB CC(=O)OCC(=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 263602057 LVFYHUIQUAZOKG-DVBCFPELSA-N 414.586 5.437 0 40 HKAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccccc2-c2ccccc2)CC1=O 408659945 LAKHGJDQBKYVDQ-JOCHJYFZSA-N 413.517 5.437 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2cccc(C)c2)c1 408697945 KFJWSYAJAIWDQK-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CC(C)c1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)sc2CC(=O)O)cc1 408891434 QLLSKDMMDYQBOJ-UHFFFAOYSA-N 421.349 6.611 0 40 HKAB O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(Cl)cc1Cl 409029217 WPFQXXBLSKOJNF-UHFFFAOYSA-N 409.165 5.963 0 40 HKAB Clc1cc(Cl)c(OCc2cccc3ccccc23)c(CNc2ccccc2)c1 409111253 BQGHPTVKMPJOMU-UHFFFAOYSA-N 408.328 7.338 0 40 HKAB COc1ccc(CCN2CCC(c3ccc(Cc4ccc(F)cc4)cn3)CC2)cc1 1848357401 YMSRZWFGGLVHEP-UHFFFAOYSA-N 404.529 5.242 0 40 HKAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 2037846033 LWAIXXOTOAGBEE-OAQYLSRUSA-N 423.875 5.517 0 40 HKAB CCCc1nc2ccc(NC(=O)C(C)(C)C)cc2c(=O)n1Cc1ccccc1Cl 930647 RUJVBVYXXSRAEK-UHFFFAOYSA-N 411.933 5.035 0 40 HKAB CC(=O)N(CC[C@H](c1ccc(C)cc1)c1ccc(OC(C)C)cc1)Cc1ccco1 1321687 LIVPLQUWCKYLML-AREMUKBSSA-N 405.538 5.946 0 40 HKAB biogenic CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(OC)c4)cc3)nc2c1 1413893 KUDJBLSVXKQUPM-MRXNPFEDSA-N 400.478 6.269 0 40 HKAB O=S(=O)(Cc1ccccc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1 1723197 GELCKJMFSAGHOF-UHFFFAOYSA-N 410.538 6.218 0 40 HKAB Cn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nnc1-c1cccc(Cl)c1 2226218 WUFHXXKEUMMINT-UHFFFAOYSA-N 412.729 5.417 0 40 HKAB COc1ccc(-c2cc(C(=O)N[C@@H](C)CCc3ccccc3)c3ccccc3n2)cc1 3037529 HGANJZQJPUPDQW-IBGZPJMESA-N 410.517 5.662 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCc3c(Cl)cccc3Cl)c3ccccc3n2)cc1 3246728 JBEVPHJEOZWFAL-UHFFFAOYSA-N 422.311 6.874 0 40 HKAB FC(F)(F)c1cccc(Nc2nc(CSc3nc4ccccc4s3)cs2)c1 3270963 ZIFZCMNIJAYHGA-UHFFFAOYSA-N 423.510 6.808 0 40 HKAB c1ccc2c(Cc3nnc(SC[C@@H]4CCCCO4)n3C3CCCCC3)cccc2c1 3330762 IOSDDWSKTIPTGP-QFIPXVFZSA-N 421.610 6.189 0 40 HKAB Fc1ccc2nc(-c3ccccc3)nc(SCc3nnc(-c4ccccc4)o3)c2c1 4130048 ZAKBSDNUCPUUGK-UHFFFAOYSA-N 414.465 5.778 0 40 HKAB aggregator COc1cccc2sc(Nc3nc(-c4cc5ccccc5oc4=O)cs3)nc12 4137632 YCSVNMHJEIWBKG-UHFFFAOYSA-N 407.476 5.278 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)sc2c1CCC2 4263100 IMTBSFUQEUZKCV-LLVKDONJSA-N 409.960 5.186 0 40 HKAB Cc1ccsc1/C=C/c1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 4592675 ZATHVEGQXIKSHR-MDZDMXLPSA-N 412.436 5.945 0 40 HKAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 4713916 KPIZKJSBWWEHFF-UZLBHIALSA-N 423.538 5.090 0 40 HKAB CCn1c(SCc2cccc(C)c2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 5055098 MEBVJWUDSKZQFJ-UHFFFAOYSA-N 416.590 5.899 0 40 HKAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)C1(c3ccc(Cl)cc3)CCCC1)CC2 5388622 RQESXLBNEZZIJN-MRXNPFEDSA-N 413.945 5.315 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccccc3OC)oc3c(C)cccc3c2=O)cc1 5484670 UDCLCAAVERBGPV-UHFFFAOYSA-N 415.445 5.038 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@H](C(C)(C)C)C2 5672907 FTOVECSPTQEFRB-AWEZNQCLSA-N 403.519 5.467 0 40 HKAB COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1OC 5792407 HGCZAOJHBBTCML-UHFFFAOYSA-N 404.491 5.541 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccnc4Cl)c3)nc2c1 6440232 XIGKGOVLULWRHB-CQSZACIVSA-N 405.885 6.309 0 40 HKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccs4)cc3n2)cc1 6636004 VPUKIGSFTPVPJZ-UHFFFAOYSA-N 410.930 5.730 0 40 HKAB CC1CCN(C(=S)c2cc(Br)ccc2OCc2ccccc2)CC1 6655132 YFFCDTFJEAPIPO-UHFFFAOYSA-N 404.373 5.436 0 40 HKAB O=C(COc1ccc(F)cc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 8393799 XPXCHESMMRWDMB-UHFFFAOYSA-N 404.466 5.634 0 40 HKAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)c1cc2cc(Cl)ccc2o1 8429213 HCMIHDKEQQVLOP-UHFFFAOYSA-N 409.898 5.519 0 40 HKAB Cc1c(-c2ccccc2)sc2ncnc(NS(=O)(=O)c3ccc(Cl)s3)c12 8826182 JOCWIXQYHRNMQL-UHFFFAOYSA-N 421.956 5.182 0 40 HKAB C/C=C/c1ccc(OCCn2c(CN3CCCCC3)nc3ccccc32)c(OC)c1 9184789 ZUKDYOCSQTTYKQ-YCRREMRBSA-N 405.542 5.143 0 40 HKAB Nc1c(C(=O)c2cccs2)sc2nc3c(c(-c4ccccc4Cl)c12)CCCC3 9375466 MBNWJFNFGFRPLG-UHFFFAOYSA-N 424.978 6.370 0 40 HKAB Cc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccc(C)c(C)c2)cc1 9411447 ZDNANJMHKQGHDE-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCC[C@@H]2c2cccs2)cs1 10025238 PGBJFYFWGJCOAU-TZZQJPOUSA-N 423.563 5.266 0 40 HKAB CC(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 10335833 GFFHXUNOFKIMOX-UHFFFAOYSA-N 414.549 5.354 0 40 HKAB O=C(c1ccc(Cl)cc1Cl)N1c2ccccc2Sc2ccc(Cl)cc21 12020940 ADZOGQUUEOODHE-UHFFFAOYSA-N 406.721 7.090 0 40 HKAB CC(C)(CNC(=O)Nc1ccc(Cl)cc1)SCc1cccc(C(F)(F)F)c1 12338643 CKYQRMURDMNYST-UHFFFAOYSA-N 416.896 6.192 0 40 HKAB O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1ccc(Oc2ccccc2)cc1 12347068 NDTXJIJZLLHFLI-UHFFFAOYSA-N 408.429 6.133 0 40 HKAB O=C(NCCSc1ccccn1)c1ccc(CSc2ccc(Cl)cc2)cc1 12360629 URFXJBRRKCZPFY-UHFFFAOYSA-N 414.983 5.549 0 40 HKAB CC[C@H](C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C)c1ccccc1 12796896 SWNZEALADKJMKZ-FQEVSTJZSA-N 418.562 5.387 0 40 HKAB Cc1oc2cc(O[C@H](C)C(=O)N(C(C)C)C(C)C)ccc2c(=O)c1-c1ccccc1 12904749 WGFCZMGNSDNMPT-GOSISDBHSA-N 407.510 5.181 0 40 HKAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1nc(C)cc(-c2ccccc2)n1 13165309 GVWHXWGCOQMIRA-UHFFFAOYSA-N 417.490 5.132 0 40 HKAB CC(C)C(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccccc21 13897246 FTCWKSGDHXCEMZ-CPJSRVTESA-N 412.533 5.856 0 40 HKAB C[C@@H](NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1)c1ccc2ccccc2c1 14124769 KTOMPYCYLJFOTF-LJQANCHMSA-N 424.500 5.348 0 40 HKAB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1C[C@H]1CCCO1 14426124 FSCBUYSNRUARMQ-QJKHOBJASA-N 418.324 5.136 0 40 HKAB CCCCNc1nnc(SCc2csc(COc3ccc(F)cc3)n2)s1 14672067 NOCCWRFXKRCAPN-UHFFFAOYSA-N 410.565 5.217 0 40 HKAB FC(F)(F)c1cccc(C[n+]2c3n(c4ccc(C(F)(F)F)cc42)CCCCC3)c1 15953156 ZQVDFOMQXXRZKV-UHFFFAOYSA-N 413.385 5.741 0 40 HKAB O=C(N1CCN(c2ccc(Cl)cc2)CC1)N1c2ccccc2Sc2ccccc21 16780227 MEXVTMCATMGAPX-UHFFFAOYSA-N 421.953 5.885 0 40 HKAB Cc1cc(C)cc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c1 17088707 FGTXMDCJZJNMDI-CSKARUKUSA-N 410.926 5.743 0 40 HKAB CSc1ccc(Cl)c(C(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)c1 27922539 BODVTKHIVGTPNY-UHFFFAOYSA-N 420.365 5.829 0 40 HKAB COc1ccc(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)o2)c(OC)c1 28225180 CQQMQVDHMSSBCQ-UHFFFAOYSA-N 409.482 5.426 0 40 HKAB COc1cc(-c2nc3ccc(Cl)cn3c2Nc2cccc(Cl)c2C)ccc1O 35616272 UPSQKYKKGNRJBM-UHFFFAOYSA-N 414.292 6.074 0 40 HKAB COc1cccc(-c2csc(-c3cc(NC(=O)c4ccccc4Cl)n(C)n3)n2)c1 35683031 LWVNXSWIVYFALP-UHFFFAOYSA-N 424.913 5.125 0 40 HKAB Cc1nn2c(ncc3c(=O)n([C@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccc(F)cc1 40396944 GJQKMVLZFMXSTE-AVYPCKFXSA-N 404.489 5.156 0 40 HKAB Cc1cccc(O[C@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 44842195 DTCHKKAOZWZJKN-LJQANCHMSA-N 415.533 5.930 0 40 HKAB CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 86860112 SGNBVLSWZMBQTH-JWAXJRHZSA-N 400.691 7.635 0 40 HKAB biogenic Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)CC[C@H](c4ccccc4)[C@@H]3C2=O)c1C 100064283 UUOHHXXXBMIDST-OSNGURLVSA-N 409.529 5.770 0 40 HKAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 100648084 IWGLTPCLEQVKGS-OGCKGYDTSA-N 400.261 5.097 0 40 HKAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1Cl 104728311 FORUKOSNQXWJNS-IBGZPJMESA-N 413.304 5.493 0 40 HKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1C 107039584 UWJVMTLKNMPAEK-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB Cc1ccc(-c2noc(CN(C)C(=O)CCCSc3ccc(Cl)cc3)n2)cc1 222697178 RHIQQCXKCHPGKW-UHFFFAOYSA-N 415.946 5.229 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1C(C)C 223337157 RRSWGAIHAOTNGJ-TZIWHRDSSA-N 422.613 5.850 0 40 HKAB COc1ccc(C(=O)NC2CCCCCCC2)cc1CSc1ccc(Cl)cc1 224392030 KNUBNUTUVQRVGO-UHFFFAOYSA-N 418.002 6.484 0 40 HKAB CCOc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1 224961721 BYACKNINYWFGTI-UHFFFAOYSA-N 418.880 6.313 0 40 HKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1C 225024935 OSYYBSQFHFNKRF-ZEQRLZLVSA-N 416.594 5.404 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)cc1C(F)(F)F 225954707 AKYRQFVSFQHUTK-UHFFFAOYSA-N 415.452 5.002 0 40 HKAB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1cccs1 408563001 SSVDCJDHFVSVQD-ZPHPHTNESA-N 407.358 5.110 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2cc(Cl)ccc2C)c1 408695057 OKZIQBYPBFJGHC-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2ccc(C)cc2)cc1 408697053 GOSRYKRYFQUFMN-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB O=C1N/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)N1c1cccc(Cl)c1 409068036 FKNWRGPPRDGPFW-UDWIEESQSA-N 422.843 5.155 0 40 HKAB COc1ccccc1OCc1ccc(C(=O)Oc2ccc(Br)cc2)cc1 409177832 HWOIPHDZCDWTBS-UHFFFAOYSA-N 413.267 5.256 0 40 HKAB CC(C)CC(=O)N1CCCCCCCN(C(=O)C2[C@@H]3CCCC[C@@H]23)Cc2ccccc21 643553318 LGTFOYSRKZFOLA-DHIUTWEWSA-N 424.629 5.795 0 40 HKAB CC1=C(CC[C@]2(C)OC(=O)N(C3CC(C)(C)NC(C)(C)C3)[C@]2(C)O)C(C)(C)CCC1 710748 YTLQRXDKKVFHPU-LOSJGSFVSA-N 420.638 5.522 0 40 HKAB Cc1ccc(NC(=O)N(Cc2ccco2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 1360978 KROKZQCEDDLNFT-UHFFFAOYSA-N 415.493 5.281 0 40 HKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1cccc2ccccc12 1413851 JVHALBXBGZOWRJ-UHFFFAOYSA-N 424.456 5.674 0 40 HKAB Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2CCCC2)c(C)c1 1720218 SMEZXTBXLFSIDO-SXOMAYOGSA-N 413.561 6.347 0 40 HKAB On1c(-c2ccccc2)c([C@H](Nc2ccccn2)c2ccc(F)cc2)c2ccccc21 1796966 KCVCAEJFWRYBMV-RUZDIDTESA-N 409.464 6.281 0 40 HKAB Cc1ccc([C@H]2C=C(Nc3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 2061304 KRLHRIGDRYCEJD-JOCHJYFZSA-N 409.316 6.386 0 40 HKAB O=C(Oc1cccc2ccccc12)c1cc(Br)ccc1Br 2069887 LTWNFWNKOLPCDA-UHFFFAOYSA-N 406.073 5.584 0 40 HKAB CCCOC(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 2082461 QVSKKBRIUCIEOK-QFIPXVFZSA-N 405.519 5.726 0 40 HKAB Cc1ccc(NCc2cc(Br)ccc2OCc2ccccc2)cc1Cl 2094055 DAZWVKQCHGPBRM-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB O=c1c(NCc2ccccc2)c(SCc2ccccc2)cnn1Cc1ccccc1 2183676 CPRGXVTVWGZBNM-UHFFFAOYSA-N 413.546 5.196 0 40 HKAB Cc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccccn2)cc1 2218855 LBADCUSSYBFGAW-UHFFFAOYSA-N 420.925 5.266 0 40 HKAB COc1ccc(-c2nnc(SCc3cc(C)ccc3C)n2-c2ccccc2)cc1 2450797 HWDPSWMVCKNTDA-UHFFFAOYSA-N 401.535 5.852 0 40 HKAB COc1ccccc1[C@@H](Nc1cccc(C(F)(F)F)c1)c1c(C)[nH]c2ccccc12 2546252 WSPDFYANMVHTKP-HSZRJFAPSA-N 410.439 6.705 0 40 HKAB CC(C)(C)c1cc(C(=O)OCC(=O)Nc2ccccc2Cl)cc(C(C)(C)C)c1 3217417 PXOHVQKMIJSBBU-UHFFFAOYSA-N 401.934 5.731 0 40 HKAB COc1ccc(C(=O)CSc2nc3ccccc3nc2-c2ccccc2)cc1OC 3236358 VVTLWIYATNPDTA-UHFFFAOYSA-N 416.502 5.289 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3cc(Cl)cc(Cl)c3OC)n2)cc1 3268320 SHJCSQANMAUJDX-UHFFFAOYSA-N 409.294 5.386 0 40 HKAB Cc1cc(C)c(NC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c(C)c1 3319180 FTIXSYIGEZXTTD-UHFFFAOYSA-N 414.461 5.216 0 40 HKAB O=C(OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1O 3438889 SYHPIBKVMOEXNZ-UHFFFAOYSA-N 404.853 5.255 0 40 HKAB CC(=O)c1cc2c(cc1NC(=O)c1cc(-c3ccccc3)nc3ccccc13)OCO2 3477272 YYKTZIHUZFZMMG-UHFFFAOYSA-N 410.429 5.085 0 40 HKAB Cc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)c(C)c1 3645168 PZYUYGUFNYJSQJ-UHFFFAOYSA-N 423.485 5.572 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1nc2ccc3nc(C)sc3c2s1 4031623 QUCVUHQZXMDBBO-UHFFFAOYSA-N 405.504 5.629 0 40 HKAB COc1ccc(COC(=O)Nc2sc3nc(C)cc(C)c3c2-n2cccc2)cc1 4052808 KICCEDMNVUUCEL-UHFFFAOYSA-N 407.495 5.461 0 40 HKAB Cc1ccc(C2=Nc3ccccc3S[C@H](c3ccc(Br)cc3)C2)cc1 4070216 RTELWESPSVBJCM-QFIPXVFZSA-N 408.364 7.115 0 40 HKAB Cc1ccc(OCCSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)cc1 4491138 CDSWAKFBXJAACP-UHFFFAOYSA-N 419.525 5.477 0 40 HKAB Cc1sc(NC(=O)COc2ccc(C(C)(C)C)cc2)c(C(=O)OC(C)C)c1C 4548957 FFBPOLCIVKLJLC-UHFFFAOYSA-N 403.544 5.245 0 40 HKAB COc1ccc(C2=NN(c3ccc(Cl)cc3)[C@@H](c3ccc(OC)c(OC)c3)C2)cc1 4948602 ROQBXWRLEPNQKI-JOCHJYFZSA-N 422.912 5.722 0 40 HKAB Cc1cc(C)cc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1 5184727 ZNZUQGCMRXVDLJ-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCCCC(=O)N(C1=C[C@@H](C)N(C(=O)c2ccccc2)c2ccccc21)c1ccccc1 5417616 GIFLFZZQIVRRMB-OAQYLSRUSA-N 424.544 6.300 0 40 HKAB Cc1csc(N(C(=O)COc2ccccc2-c2ccccc2)c2ccccc2)n1 6219770 KRKSQBFNIJMAEC-UHFFFAOYSA-N 400.503 5.862 0 40 HKAB Cn1c(SCC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)nc2ccccc21 6315451 FFNFUDXOMHYJHN-UHFFFAOYSA-N 411.530 5.707 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 6356049 HRVXWENXOJBVSK-HNNXBMFYSA-N 414.461 5.989 0 40 HKAB Cc1ccc2oc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3)nc2c1 6450410 UDTJAVPHQXGXGE-UHFFFAOYSA-N 420.896 6.253 0 40 HKAB c1ccc2c(Cc3nnc(SC[C@H]4CCCO4)n3C3CCCCC3)cccc2c1 6787218 MYMFOXPMVXQPFJ-OAQYLSRUSA-N 407.583 5.798 0 40 HKAB Cc1cccc(Cn2c([C@@H]3CC(=O)N(c4ccc(C)cc4C)C3)nc3ccccc32)c1 7543821 AEGICKICKMXKBR-JOCHJYFZSA-N 409.533 5.530 0 40 HKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 8041070 ZOZMWZWDDVDGPR-OAHLLOKOSA-N 403.103 5.552 0 40 HKAB Cc1nc(-c2ccc(NC(=O)c3ccccc3SC[C@@H]3CCCO3)cc2)cs1 8129749 KOSBOZGZEJVDNI-SFHVURJKSA-N 410.564 5.642 0 40 HKAB c1ccc(Oc2cccc(OCCOCCN3CCCC[C@@H]3c3cccnc3)c2)cc1 8744559 YSGJOMYLZFTKJP-AREMUKBSSA-N 418.537 5.497 0 40 HKAB biogenic Cc1ccc([C@@H]2CC(=O)c3cnc(Nc4nc(C)c5cc(C)c(C)cc5n4)nc3C2)cc1 9009294 CGILGDFOAFWMQV-IBGZPJMESA-N 423.520 5.310 0 40 HKAB Cc1cccc(N[C@H](CC(=O)c2ccc(Br)cc2)c2ccc(F)cc2)c1 9239202 JCVQKXMWICSUTB-OAQYLSRUSA-N 412.302 6.323 0 40 HKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc2c(c1)OCO2)c1ccccc1F 9348173 CGHAXIKQPKYQKN-UHFFFAOYSA-N 419.433 5.049 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3C)c3ccc(C)c(C)c3)cc2c1 9427852 JDPHRHAJWNPKNI-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB O=C(CCc1nc(-c2ccsc2)no1)N1CCCC[C@H]1c1nc2ccccc2s1 9642288 AMNUBDUSEKRAFM-INIZCTEOSA-N 424.551 5.094 0 40 HKAB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 10729324 ZIRYOYJEKIWWPN-CYBMUJFWSA-N 424.324 5.067 0 40 HKAB Cc1c(CN2C[C@@H](c3ccccc3)C3(CCCC3)C2)c2ccccc2n1CC(=O)O 12132452 FOXNNVVLVRMSGS-QHCPKHFHSA-N 402.538 5.194 0 40 HKAB O=C(Oc1ccc2nc(N3CCCCC3)sc2c1)c1ccccc1Br 12488700 JDIULZOMTXLKOD-UHFFFAOYSA-N 417.328 5.268 0 40 HKAB Cc1ccc(C)n1NC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(C)C)cc1 12799960 HTMKOUPPHONNPJ-IBGZPJMESA-N 419.525 5.018 0 40 HKAB CC(C)[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1cccc(Cl)c1 13551967 WVTUPHUAEHTHQB-HSZRJFAPSA-N 417.940 5.865 0 40 HKAB COc1ccc([C@H]2N=C(O)c3c(-c4ccccc4)csc3N2)cc1Br 13838242 LFFQXOVUTKIQQA-KRWDZBQOSA-N 415.312 5.615 0 40 HKAB O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc2ccccc2c1 17091992 PTLKYGSLVOFGIU-UHFFFAOYSA-N 419.731 5.383 0 40 HKAB CN1CCN(CCS[C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 19365317 JZTQXLGXJLBLFI-NRFANRHFSA-N 405.032 5.069 0 40 HKAB CC(C)n1c([C@H](C)NC(=O)Cc2csc(-c3ccccc3)n2)nc2ccccc21 19718761 ZLIGGLKDPQPSNB-INIZCTEOSA-N 404.539 5.161 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1Cl 20142563 SSLAEVMPDSNPEU-UHFFFAOYSA-N 406.265 5.315 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccc(F)c2)N2CCOCC2)c1C 20193482 JPGZWKQCLCOLRZ-QFIPXVFZSA-N 424.541 5.178 0 40 HKAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3n2)cc1 20609981 YPBOVWGBYGKSBT-UHFFFAOYSA-N 400.482 5.016 0 40 HKAB C[C@H](Oc1ccccc1Cl)C(=O)N1CCC(c2nc3ccccc3s2)CC1 20897306 NIZQWDBGNIPSDF-AWEZNQCLSA-N 400.931 5.123 0 40 HKAB Cc1ccc(-n2ncc(C(=O)N3CC=C(c4ccccc4)CC3)c2-n2cccc2)cc1C 22518662 FXGDQHSRTHHWRF-UHFFFAOYSA-N 422.532 5.209 0 40 HKAB CCc1ccc2oc(C(=O)N(Cc3ccc(Cl)cc3)c3ccccn3)c(C)c2c1 28404658 SGHGRBILFBFBHY-UHFFFAOYSA-N 404.897 6.199 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3C)c2)cc1 30864668 SMBCBYBPXBHAJE-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CC1(C)C[C@H](NCC[C@@](C)(c2cccc(C(F)(F)F)c2)c2cccs2)CCO1 32088219 XSYUWWKDVJBTIA-NQIIRXRSSA-N 411.533 6.010 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCN(Cc2ccccc2)CC1 39748923 PATJGAQPHMCSBB-UHFFFAOYSA-N 400.522 5.116 0 40 HKAB Cc1ccccc1-c1nnc(Sc2nc3c(Cl)c(C)nn3c3ccccc23)o1 40018056 AJGPHUQHICCGDD-UHFFFAOYSA-N 407.886 5.354 0 40 HKAB CC(C)(c1ccccc1)c1ccc(OCC[C@H]2CCCCN2)c(Br)c1 42770662 BIZACYMNRXBVGM-LJQANCHMSA-N 402.376 5.686 0 40 HKAB O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(Oc2ccccc2)cc1 44850275 ZFUOZVBWDSTZJG-UHFFFAOYSA-N 417.486 6.072 0 40 HKAB CCOC(=O)Nc1ccc(NC(=O)OCC)c2c1[C@H]1C=C[C@@H]2[C@]23C=C[C@]12CC=CC3 45071080 SVKMCRRMXIRDJM-RIQHXCIPSA-N 406.482 5.467 0 40 HKAB COc1cccc(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c1 57486337 RXRDEFAFGNVFIG-UHFFFAOYSA-N 418.562 6.175 0 40 HKAB CCCCOc1ccccc1-c1cc(C(=O)NCc2ccccc2C(F)(F)F)[nH]n1 72331598 ZTNPEOCXTBLNMK-UHFFFAOYSA-N 417.431 5.204 0 40 HKAB Cc1ccccc1Nc1nnc(S[C@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)s1 195529868 JJZMJOSCJCSROZ-DUFGSWQCSA-N 404.605 5.012 0 40 HKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2Cl)C1=O 214064368 UIMDJGQUMDWLEE-BXUJETTOSA-N 401.915 5.754 0 40 HKAB CCc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223075977 NCXBYXKSEFKIGV-UHFFFAOYSA-N 418.924 5.748 0 40 HKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C1CCCC1 223341564 CBBDGHZQBOHDBC-DHIUTWEWSA-N 420.582 5.381 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1COCC(C)C 224450704 QHXYLVKJLGQQEG-UHFFFAOYSA-N 405.494 5.912 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1OCC 225059849 DTAOPQQVENRTMC-UHFFFAOYSA-N 407.535 6.029 0 40 HKAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](CC)C(=O)NC1CCCCC1 225300258 ATMZBPQHNCPZOT-LJQANCHMSA-N 413.389 5.350 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCSCc2cccc(Cl)c2)c1 225696280 AWBYSLQXXKMDLI-QGZVFWFLSA-N 405.991 5.589 0 40 HKAB CCC1(CC)C[C@H](NC(=O)COc2cccc(C(F)(F)F)c2)c2ccccc2O1 225809035 MIQWNIRTHWOYQZ-SFHVURJKSA-N 407.432 5.283 0 40 HKAB Cc1cc(CN(C(=O)c2ccc3sc(Cl)nc3c2)C2CCCC2)c(C)n1C 225985821 QQICBVNOIYQQPV-UHFFFAOYSA-N 401.963 5.490 0 40 HKAB Clc1cc(Cl)c2oc(CCc3nc4cc(Cl)cc(Cl)c4o3)nc2c1 226248801 LHPQELZSXFYSKE-UHFFFAOYSA-N 402.064 6.368 0 40 HKAB O=C(c1ccccc1-c1ccccc1)N1CCOC[C@H](Cc2cccc3cnccc23)C1 257334861 YHRLLPIRBCCROR-OAQYLSRUSA-N 422.528 5.233 0 40 HKAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 408556099 ZMCBEOMTDHWIBI-UHFFFAOYSA-N 423.705 5.016 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2cccc(C)c2)cc1 408696220 XVOFUWWWEPYVGD-UHFFFAOYSA-N 416.456 5.033 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccccc2)c1 408696858 FIVXOJOPYUJTTA-UHFFFAOYSA-N 404.473 5.648 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccccc2)c1 408699099 UQGTYDDWJYRSHR-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB O=C(N=c1cc[nH]cc1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 408735202 MAVHLRTUOMFMBU-UHFFFAOYSA-N 417.472 5.425 0 40 HKAB Cc1ccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccccc2)cc1 409105285 MESVTEDRGKXCBF-UHFFFAOYSA-N 421.953 6.067 0 40 HKAB COc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 409110359 VDWVFUKGISPWHF-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB COc1cc(CNc2cccc(C)c2)ccc1OCc1ccc(Br)cc1 409110619 XCTLTLYKCZTKOC-UHFFFAOYSA-N 412.327 5.957 0 40 HKAB COc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(C)cc3C)sc2C)cc1 409196702 YQRJTGYEYVYGNX-UHFFFAOYSA-N 408.523 5.346 0 40 HKAB Cc1ccc(Sc2ccc(/C=C3\NC(=O)N(Cc4ccccc4F)C3=O)cc2)cc1 409248158 GJTIIGAKJPLWHQ-HMAPJEAMSA-N 418.493 5.378 0 40 HKAB COc1ccc(NCc2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 409376068 TUNGUZQNECVJQY-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)Oc1ccc(F)cc1 702511 JYEWXDUSNLWGGL-AWEZNQCLSA-N 413.470 5.137 0 40 HKAB C[C@@H](Sc1nnc(C2CCCCC2)n1C)C(=O)N(c1ccccc1)c1ccccc1 906774 PSUIHRFMSXJABI-GOSISDBHSA-N 420.582 5.708 0 40 HKAB O=C(Nc1cccc(Oc2cccc(NC(=O)c3ccccc3)c2)c1)c1ccccc1 973526 IEFFNLJSKORVPR-UHFFFAOYSA-N 408.457 5.984 0 40 HKAB COc1cccc(NC(=O)CSc2ncnc3sc(C)c(-c4ccccc4)c23)c1 1465486 FZYLBLNYGPRJJK-UHFFFAOYSA-N 421.547 5.406 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4cccc5ccccc45)c(=O)c23)C1 1784998 HNGJIJGMZGZRDF-KRWDZBQOSA-N 403.551 5.206 0 40 HKAB CCCCn1nc(NC(=O)c2ccc(OCC)cc2)c2cc3cc(OC)ccc3nc21 2336587 VOVOIGVLMGZKHU-UHFFFAOYSA-N 418.497 5.044 0 40 HKAB CCCCCCOC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 2396790 CBWOQZBAKCFXFE-UHFFFAOYSA-N 422.916 5.546 0 40 HKAB COc1ccc(C(=O)C[C@H](Sc2ccc(F)cc2)c2ccc(Cl)cc2)cc1 2582781 UPMGWSRFYXIWOH-QFIPXVFZSA-N 400.902 6.594 0 40 HKAB CCOC(=O)c1c(C)[nH]c(-c2csc(Nc3ccccc3C(F)(F)F)n2)c1C 2618369 BMMIBWGRALYPKV-UHFFFAOYSA-N 409.433 5.694 0 40 HKAB Cc1sc2ncnc(S[C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)c2c1C 2623018 QKORAKPAZVAEGI-SNVBAGLBSA-N 412.367 5.734 0 40 HKAB Cc1cc(OCCCC(=O)Nc2nc(-c3ccccc3)c(C)s2)ccc1Cl 2647139 PQHFDTJXCNMSKB-UHFFFAOYSA-N 400.931 5.878 0 40 HKAB Cc1c(-c2ccc(F)cc2)nn(Cc2c(F)cccc2Cl)c1-c1ccc(F)cc1 2733473 CBEXEQJBQFOGOX-UHFFFAOYSA-N 412.842 6.645 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)CCC(=O)c2cccs2)c2ccccc2)c1 3221769 RTFSYXIBRIUFFR-QHCPKHFHSA-N 421.518 5.251 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)COc1nnc(-c2ccccc2)c(-c2ccccc2)n1 3318063 SZUPGWIQCMUSJW-UHFFFAOYSA-N 420.472 5.257 0 40 HKAB O=C(COc1ccc(Br)cc1Cl)NCc1ccc(Cl)cc1Cl 3445005 VNDUWNFTIXRFJM-UHFFFAOYSA-N 423.521 5.105 0 40 HKAB Cc1cccc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)c1C 4059649 ZUMXZQMLEFNULH-UHFFFAOYSA-N 400.547 6.037 0 40 HKAB Cc1ccc(Cn2cc(SCC(=O)Nc3ccc(C)cc3)c3ccccc32)cc1 4059718 ZELJRDIIQQUBKU-UHFFFAOYSA-N 400.547 6.037 0 40 HKAB O=C(/C=C/C(=O)Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl 4323068 LYENZPAFXQCIOX-AATRIKPKSA-N 406.048 5.367 0 40 HKAB O=C1C=C(c2ccc(Cl)cc2)O[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 4474752 TUYMURVJLLPMBA-JOCHJYFZSA-N 406.825 5.351 0 40 HKAB Clc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)cc1 4548263 FMGVVOPGRLLZFH-NRFANRHFSA-N 411.730 6.458 0 40 HKAB Cc1cc(-c2cccs2)c2c(N)c(C(=O)C34CC5CC(CC(C5)C3)C4)sc2n1 4619869 XFELMBBVOVPCIF-UHFFFAOYSA-N 408.592 6.315 0 40 HKAB Cc1sc2nc3n(c(=O)c2c1C)N=C(c1ccc(-c2ccccc2)cc1)CS3 4665092 OISFXVAGTOXZNL-UHFFFAOYSA-N 403.532 5.100 0 40 HKAB O=S(=O)(Oc1ccccc1-c1nc2ccccc2o1)c1ccc2ccccc2c1 4666288 MGEBWJQXPLMKKP-UHFFFAOYSA-N 401.443 5.416 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2cccc(Cl)c2)on1 4881018 NLDJHGQZOWBPOH-UHFFFAOYSA-N 401.171 5.920 0 40 HKAB CC1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccco3)=NN12 5024616 BQISLFBABQIVPX-DJMMNXNOSA-N 401.304 5.492 0 40 HKAB C[C@@H](NC(=O)CSc1nc(-c2cccs2)nc2ccccc12)c1cccs1 5287883 PCDGMACKYBQFST-CYBMUJFWSA-N 411.577 5.389 0 40 HKAB CC1(C)CN=C(N(Cc2ccccc2Cl)C(=O)Nc2cccc(Cl)c2)S1 5482212 DTSYMEQZJAIYBH-UHFFFAOYSA-N 408.354 5.909 0 40 HKAB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccccc1Cl 6307911 VSQXEQVXMALTKC-ZROIWOOFSA-N 406.240 5.010 0 40 HKAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(C(C)C)cc2)cc1 6630453 GGMPKUOTHHWJSS-UHFFFAOYSA-N 402.494 5.229 0 40 HKAB Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)S[C@H](C)C(=O)N2 6678737 IPRWWYKLQATODP-BFUOFWGJSA-N 413.930 5.114 0 40 HKAB Cc1cccc(-n2c(C)cc(/C=C(/Sc3nc4ccccc4o3)C(=O)O)c2C)c1 7365546 NNBNAPJZIDQHOP-FYJGNVAPSA-N 404.491 5.762 0 40 HKAB CNC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CC[C@H](C)C2 7386482 ZUZREEWBWVUIGP-HNNXBMFYSA-N 404.535 5.152 0 40 HKAB COc1ccc(-c2nnc(SCC3CCCCC3)n2-c2ccccc2)cc1OC 8733434 XIHWLZWLULCCOE-UHFFFAOYSA-N 409.555 5.624 0 40 HKAB Cc1cccc(NC(=O)Nc2nc(C(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)cs2)c1 9318436 HFJMDSFGUYPTQN-HOCLYGCPSA-N 400.548 5.040 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1 9660168 BPFFYTDQKMNTRB-UHFFFAOYSA-N 408.816 5.897 0 40 HKAB biogenic CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 10331433 JCGYILZWXCZYBZ-GOSISDBHSA-N 418.562 5.760 0 40 HKAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1cccc(Cl)c1Cl 10741105 JAZSKSMHZOSAIB-UHFFFAOYSA-N 402.306 5.551 0 40 HKAB C[C@@H](Sc1cc(-c2ccccc2)ncn1)C(=O)Nc1ccccc1C(F)(F)F 11903091 LIVZGUNGDXPCKP-CYBMUJFWSA-N 403.429 5.282 0 40 HKAB CCOc1ccc(C(=O)CSc2nc3ccccc3n2CCc2ccccc2)cc1 12539982 HEJFRCFMFRKGKJ-UHFFFAOYSA-N 416.546 5.653 0 40 HKAB Cc1ccc(Cl)c(NC(=O)CN(C)Cc2ccccc2N2CCCCC2)c1Cl 12562086 XIHFEGXCEQQQLG-UHFFFAOYSA-N 420.384 5.363 0 40 HKAB Cc1nc(-c2ccc(N[C@H](C)C(=O)Nc3ccccc3C(F)(F)F)cc2)cs1 12632340 DSZJYTUBYDWHLI-GFCCVEGCSA-N 405.445 5.576 0 40 HKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 12895648 ISNOOSUBCIVHLI-LJQANCHMSA-N 411.505 5.140 0 40 HKAB CCOc1cc2c(cc1NC(=O)c1cc(Br)ccc1Cl)O[C@H](C)C2 12974570 SRLPBVPSTQKQJY-SNVBAGLBSA-N 410.695 5.077 0 40 HKAB O=C(Cc1csc(-c2ccco2)n1)Nc1nc(-c2cc3ccccc3o2)cs1 13008554 AWQXXMDHCBBGBB-UHFFFAOYSA-N 407.476 5.454 0 40 HKAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)N1C(=N2)C=Cc2ccccc21 13148090 DZHATFOWBDDVNM-RUZDIDTESA-N 422.919 6.501 0 40 HKAB Cc1ccc(C)c(N2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)c1 13574394 ULYCUAZVSJTQJF-UHFFFAOYSA-N 415.562 5.848 0 40 HKAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)n2c(nc3ccccc32)N1 13635028 SKQWHRVQCLFGQQ-LJQANCHMSA-N 416.308 5.584 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1 16348533 PQOTUYYWJKIRKO-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB Cc1cc(NC(=O)c2cc3ccccc3o2)n(-c2nc(-c3cccs3)cs2)n1 17012055 JTECXGLBWUJHJQ-UHFFFAOYSA-N 406.492 5.364 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc2c(c1)CCCC2 17201252 MRHUPBZVDCDDHX-UHFFFAOYSA-N 400.503 5.800 0 40 HKAB CC(C)C(=O)N1CCCC[C@@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 19085612 CQXROHRJBNPPMG-OAHLLOKOSA-N 422.476 5.186 0 40 HKAB O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(C3CCCCC3)CC[C@@H]21 19332147 PNNRFJROXILTFY-VABKMULXSA-N 412.574 5.150 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1Cl 20142420 OYWYSXGFPNBPAL-UHFFFAOYSA-N 406.265 5.397 0 40 HKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20499722 PYJAPCHBSPBPFS-VWLOTQADSA-N 400.522 6.227 0 40 HKAB Cc1ccc2oc(=O)cc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 20502282 AWNDKLRWLGSAFE-UHFFFAOYSA-N 424.544 5.009 0 40 HKAB biogenic COc1cccc(-c2nc3cc(NC(=O)c4ccccc4Br)ccc3o2)c1 21579043 GKXKLOHQYNMTBM-UHFFFAOYSA-N 423.266 5.518 0 40 HKAB COc1ccc([C@@H](CNC(=O)c2oc3ccc(F)cc3c2C)N2CCCCCC2)cc1 27583182 FCVKDYUKYLSJPM-JOCHJYFZSA-N 424.516 5.236 0 40 HKAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1nc(C)c(-c2ccccn2)s1 30558917 YSWUPTAXFIXHIG-UHFFFAOYSA-N 424.526 5.261 0 40 HKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 30851336 FKCOUYASVBQHTN-JOCHJYFZSA-N 408.542 5.116 0 40 HKAB O=C(Nc1ccc(Br)cc1F)c1ccc(CN2CCCCCC2)cc1 30938599 QPQFINKURHFZEX-UHFFFAOYSA-N 405.311 5.217 0 40 HKAB O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 32115536 TXQLUCXPADZWBH-GQCTYLIASA-N 400.768 5.671 0 40 HKAB O[C@@H](c1cccnc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 35181240 VIEMGGHGQMQTSM-MHZLTWQESA-N 417.512 5.200 0 40 HKAB Cc1c(C(=O)Nc2ccc(Sc3nncs3)cc2)oc2c(Cl)cccc12 40150651 PMXVRIYRCTVZFU-UHFFFAOYSA-N 401.900 5.650 0 40 HKAB Fc1ccc(-c2cnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2)cc1 44154643 AHUVEINQDUOODU-UHFFFAOYSA-N 404.488 6.529 0 40 HKAB Cc1ccc2c(Nc3cccc(C(C)C)c3)c(C(=O)N3CCCCCC3)cnc2n1 49004786 LDYBMFFXZZAPQN-UHFFFAOYSA-N 402.542 5.821 0 40 HKAB COc1ccc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)c(C(F)(F)F)c1 58393534 YTZMUPIKWIBXMI-UHFFFAOYSA-N 412.367 5.775 0 40 HKAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 58886105 KWCPJEVVMHTWKS-UHFFFAOYSA-N 424.953 6.093 0 40 HKAB CC[C@H](C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C(=O)OC)cc2)cc1 59498100 WBWRSQCPYIADMX-BXKMTCNYSA-N 414.505 5.758 0 40 HKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(C(C)C)c3)oc12 67295840 LYZRKGDFGXFYSX-LVWGJNHUSA-N 419.506 5.506 0 40 HKAB CCOc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(C)cc1C 67297144 YUQDJVIKEAKQFM-SGEDCAFJSA-N 412.489 5.933 0 40 HKAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c12 101551674 JFULHIBXQNDSLL-WELBPKCISA-N 414.553 5.161 0 40 HKAB CC1=C[C@H](C)[C@]2(COC(=O)Nc3ccccc3)CO[C@H](CCc3ccccc3)[C@@H]1[C@H]2C 105364973 XELGSXZQIKSUPR-QEKXBEDDSA-N 419.565 6.101 0 40 HKAB O=C1S/C(=C\c2cccc(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 106686010 XLCQGLVBOYTGDZ-DHDCSXOGSA-N 408.704 5.339 0 40 HKAB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2cccc(C)c2)C1=O 106707755 SYYVANGENFSJHJ-HAHDFKILSA-N 417.530 6.174 0 40 HKAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)CC(=O)C(F)(F)F)CC[C@@H]12 118934328 LCURZEXXFASPQQ-UVIRFKSWSA-N 414.508 5.097 0 40 HKAB Cc1cc(-c2csc(NC(=O)[C@@H]3CC(c4ccccc4Cl)=NO3)n2)c(C)s1 141581262 IHAPNXBYVHWUQS-KRWDZBQOSA-N 417.943 5.274 0 40 HKAB COc1ccccc1CCC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 141583621 SOUYDBGKXKDEFK-UHFFFAOYSA-N 424.928 5.489 0 40 HKAB COC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 169612317 YMEYKMXIYVMIEW-GYXYBCFCSA-N 402.321 6.077 0 40 HKAB C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCCC2 222975233 BUUFFPMOHHYGPG-SFHVURJKSA-N 410.989 5.308 0 40 HKAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccccc1Cl 224136198 IUEBRMUSOUOWJC-UHFFFAOYSA-N 413.926 5.902 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)c1 224297455 DLHQNYYSWCPYJZ-RPWUZVMVSA-N 418.610 5.875 0 40 HKAB C[C@@H]1CCCCN1CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 225504320 DJCNXHUTQDZCDN-JOCHJYFZSA-N 420.597 5.780 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225575498 AVEIOKDJKZVUMK-UHFFFAOYSA-N 414.830 5.349 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(Br)cc1 225685765 FWSSSDFDVWARJF-MRXNPFEDSA-N 421.360 5.047 0 40 HKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225846133 VVHGDKOCUMYBSW-GAJHUEQPSA-N 407.551 5.355 0 40 HKAB CC(C)=CCC[C@]1(C)Oc2ccc(OCc3ccccc3)cc2[C@@H]2O[C@H](C)CC[C@H]21 257208884 BNXHNZHPEHBNDW-STGNFMFJSA-N 406.566 7.019 0 40 HKAB CN(CC1CCCCC1)C1CCC2(CC1)CN(C(=O)C1CCC1)Cc1ccccc1O2 257229865 FZTSBFLAXSLVOD-UHFFFAOYSA-N 424.629 5.401 0 40 HKAB COc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 408558511 UQNVPBAFUHUWHM-UHFFFAOYSA-N 414.864 5.117 0 40 HKAB CCCc1s/c(=N\C(=O)c2ccc(OC)cc2)n(CC)c1-c1ccc(Cl)cc1 408563659 WEGNOGDFPXVQTG-GYHWCHFESA-N 414.958 5.592 0 40 HKAB Cc1ccccc1CNC(=S)c1ccc(OCc2ccccc2Cl)c(Cl)c1 408575994 PEJXMMNUGDOOSL-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB COc1cccc(Oc2ccc(NC(=O)c3cc(Cl)c(OC)c(OC)c3)cc2)c1 408619601 JXJXQMSVHQCZIQ-UHFFFAOYSA-N 413.857 5.410 0 40 HKAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)c1 408641489 LXMWSQPIRAZGPI-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 408696575 ATXGRGJBJUIIDB-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB CC[C@@H](C)N1C(=O)S/C(=C/c2cn(Cc3cccc(C)c3)c3ccccc23)C1=O 409011761 HMVWWTPJEGECGR-NEIHUHTASA-N 404.535 5.833 0 40 HKAB Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)c1C 409119097 QNZPYYSDPYSAPW-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)cc1Cl 409125762 AVIFHGZRYZBUKV-UHFFFAOYSA-N 424.730 7.285 0 40 HKAB COc1ccc(-c2ccc(C(=O)O)c(CC3CCCC3)n2)c(OCc2ccccc2)c1 585266021 ZHTFHYQHIIPPCD-UHFFFAOYSA-N 417.505 5.767 0 40 HKAB C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1Br 637581 YTMPLHYMJBRMJD-XFYPZNOGSA-N 418.334 5.931 0 40 HKAB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1cccs1 841630 PUBXCQPGHDNGHU-UHFFFAOYSA-N 419.618 6.562 0 40 HKAB Cc1ccc(OCc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)o2)cc1C 999781 COGHJAHYPWEDNZ-UHFFFAOYSA-N 411.501 5.995 0 40 HKAB O=C1C[C@H](c2cccc(Cl)c2Cl)c2cc(Br)c3ccccc3c2N1 1082713 XKLSFQCRXTZIGG-CYBMUJFWSA-N 421.121 6.383 0 40 HKAB O=C(NC1CCCCC1)[C@@H](c1ccco1)N(Cc1ccccc1)C(=O)c1cccs1 1333547 VEDZSICIOPYBQX-JOCHJYFZSA-N 422.550 5.174 0 40 HKAB O=C(c1ccc(F)cc1)N1CCc2cc(-c3csc(NC4CCCC4)n3)ccc21 1354345 VODIEDWQXBAYTA-UHFFFAOYSA-N 407.514 5.507 0 40 HKAB Cc1ccc(C)c(N(CC(=O)NC2CCCC2)C(=O)c2oc(C(C)(C)C)cc2C)c1 1361054 FVHDXZMRUQCZTC-UHFFFAOYSA-N 410.558 5.208 0 40 HKAB CCc1ccc(Oc2coc3cc(OCc4cccc(Cl)c4)ccc3c2=O)cc1 1775082 DKZCJAKCKHDBIS-UHFFFAOYSA-N 406.865 6.380 0 40 HKAB Fc1ccc(-c2csc3ncnc(Oc4ccc5c6c4CCCN6CCC5)c23)cc1 2083494 YRVNSHGOJDUSAB-UHFFFAOYSA-N 417.509 5.989 0 40 HKAB O=C(NC1=NCCS1)c1oc2ccccc2c1CSc1ccc(Cl)cc1 2660872 ZISRUMZTUCXLBL-UHFFFAOYSA-N 402.928 5.211 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccccc4)cs3)c3ccccc3n2)cc1 2747310 KVAPVXVLHIQTHZ-UHFFFAOYSA-N 421.525 6.586 0 40 HKAB CCc1ccc(OCC(=O)Nc2c(C(=O)c3ccc(C)cc3)oc3ccccc23)cc1 3655619 PKLKSKQGXPVJAL-UHFFFAOYSA-N 413.473 5.552 0 40 HKAB Cc1ccc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccc(F)cc2)cc1 4263077 IXAFYHQLYQMAJG-HXUWFJFHSA-N 410.539 5.666 0 40 HKAB Cc1ccc2nc(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n2c1 4733640 BORJWQKIKZVABJ-UHFFFAOYSA-N 409.848 5.617 0 40 HKAB COc1cc2c(cc1OC)[C@H]1CCCC[C@@H]1O[C@H]2c1cccc(Br)c1 4788412 BWNAZAWQUGLOEV-YWMUFLPLSA-N 403.316 5.612 0 40 HKAB O[C@]1(c2ccccc2)O[C@H](c2ccccc2)CN(Cc2ccccc2)[C@H]1c1ccccc1 4792096 GRJGBWAPFPDRSY-YTCPBCGMSA-N 421.540 5.847 0 40 HKAB c1ccc(CC/N=c2/sc3nc4ccccc4nc3n2CCc2ccccc2)cc1 4860923 MDKYQENGNLUSSX-OCEACIFDSA-N 410.546 5.032 0 40 HKAB COCCN(C(=O)/C=C/c1ccccc1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880745 PUWMIAAFGOUIQC-XNTDXEJSSA-N 421.566 5.195 0 40 HKAB O=C(Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12)c1ccccc1F 5106884 SGUOJGIRGUCRCN-UHFFFAOYSA-N 408.816 5.730 0 40 HKAB CC(C)(C)c1ccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)C2CCCCC2)cc1 5976768 YMMRIVNQEPXSDQ-UHFFFAOYSA-N 417.553 5.196 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2C)cc1 6185218 SFYWBJVTBDSPGI-UHFFFAOYSA-N 400.503 6.046 0 40 HKAB Cc1cc(C2=NN=C(N[C@@H]3CCCC[C@@H]3C)SC2)c(C)n1CCc1ccccc1 6280707 KTXIEAFDKAAPGH-HTAPYJJXSA-N 408.615 5.323 0 40 HKAB Cc1noc(C)c1COc1ccc(-c2ccc(I)cc2)cc1 6602562 MZYAIHODNCUNBM-UHFFFAOYSA-N 405.235 5.142 0 40 HKAB Cc1c(C)n(-c2cccnc2)c2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c12 6671727 CKZHICYPUOETOV-UHFFFAOYSA-N 409.280 5.054 0 40 HKAB O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc(OC(F)F)cc1 6883282 SFUFNZITAHDZRB-UHFFFAOYSA-N 400.859 5.282 0 40 HKAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2cn(CC#N)c3ccccc23)S1 6960663 YRUVMUSZMRTMDR-YBFXNURJSA-N 406.898 5.018 0 40 HKAB CCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 7262343 ICNORSYFDQVSDV-UHFFFAOYSA-N 403.147 5.835 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2)c2ccccn2)c1C 7277672 IDGQKEUEMATVCB-HSZRJFAPSA-N 413.546 6.214 0 40 HKAB Cc1cc(C)cc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)o2)c1 7743927 OULTYDBKEXWEFY-KRWDZBQOSA-N 421.566 5.202 0 40 HKAB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 7928267 JISNTXGAXYPFBP-QGZVFWFLSA-N 420.896 5.432 0 40 HKAB S=c1[nH]nc(CN2c3ccccc3Sc3ccccc32)n1Cc1ccccc1 8382920 QPUYAPKYZUCPAK-UHFFFAOYSA-N 402.548 5.792 0 40 HKAB CCOc1cccc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)oc12 8960770 HHPIFZCKEVCEHW-UHFFFAOYSA-N 419.864 5.968 0 40 HKAB CN1CCN(c2ccccc2NC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 10035075 VINSAJCURLWEDS-UHFFFAOYSA-N 420.365 5.212 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cc(C(C)(C)C)no3)c2n1 12522449 XMYGWFGZPXWOGZ-UHFFFAOYSA-N 408.285 5.153 0 40 HKAB COc1ccc(C(=O)[C@@H](Sc2nc3ccccc3n2C)c2ccc(OC)cc2)cc1 12538241 SJOIOFIYAZUJMD-QHCPKHFHSA-N 418.518 5.307 0 40 HKAB COc1ccc2c(C)cc(SCC(=O)c3ccc(NC(=O)CC(C)C)cc3)nc2c1 12546964 FDJIDSVKELPWGY-UHFFFAOYSA-N 422.550 5.511 0 40 HKAB CC[C@H](C)c1ccc(-c2csc(NC(=O)c3oc4ccc(F)cc4c3C)n2)cc1 12621947 ULDXFQJNWDYVKV-ZDUSSCGKSA-N 408.498 6.770 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)OCc1cc(-c2cccs2)on1 12727077 GZTFBGNDDWPHPK-UHFFFAOYSA-N 400.843 5.377 0 40 HKAB C[C@H](SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)NCc1ccccc1Cl 13012194 XZTJVQWJEHBAJN-ZDUSSCGKSA-N 421.349 5.587 0 40 HKAB Cc1ccccc1-n1c(-c2ccc(Cl)cc2)nn(CN2CCC[C@@H](C)C2)c1=S 13063526 FEYMZCUALZSZNG-MRXNPFEDSA-N 412.990 5.722 0 40 HKAB CCCC1=C(C(=O)OCC)[C@H](c2cccc3ccccc23)n2c(nc3ccccc32)N1 13634957 IJTICVVTKCUXJU-DEOSSOPVSA-N 411.505 5.822 0 40 HKAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 15325290 ZNZPUKSEEJNHQT-IRXDYDNUSA-N 422.912 5.237 0 40 HKAB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)s2)cc1 16046128 PSODWQFXHRFFAD-KCYZZUKISA-N 404.605 5.012 0 40 HKAB COc1ccccc1-c1noc(CN(CCc2ccccc2)Cc2ccc(C)s2)n1 16397166 FIHKJWHWHTZTPG-UHFFFAOYSA-N 419.550 5.360 0 40 HKAB CCCCC(=O)NC(=S)NCc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 17088331 VFPXEQFGOPYSDQ-UHFFFAOYSA-N 409.555 5.299 0 40 HKAB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1cccc(Cl)c1Cl 17091224 UBKSCTSAVMPKSU-UHFFFAOYSA-N 417.683 5.633 0 40 HKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Br)cc1Cl 17093285 UHXJSCABXRJFNV-UHFFFAOYSA-N 422.750 6.168 0 40 HKAB COc1ccc(CN(C)C(=O)c2sc(-c3cccc(Cl)c3)nc2C)c(OC)c1 17919922 LMJPAJODTVHYHW-UHFFFAOYSA-N 416.930 5.061 0 40 HKAB O=c1[nH]c(SCCc2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 18325284 BBDXVVJZXCBUFE-UHFFFAOYSA-N 402.563 5.530 0 40 HKAB biogenic CC(C)(C)[C@H]1C/C(=C\c2cccc(Cl)c2)c2nc3ccccc3c(C(=O)O)c2C1 19229885 NWARGEGVLYRRED-YTBHAWNYSA-N 405.925 6.736 0 40 HKAB Cc1onc(C(C)C)c1C(=O)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 19579556 DXPCOYRYRSSYDI-UHFFFAOYSA-N 420.435 5.021 0 40 HKAB Cc1cc(NC(=S)NC(=O)c2ccc3ccccc3c2)ccc1-c1ccc(CO)o1 20152271 IXDZJDIOESRUDC-UHFFFAOYSA-N 416.502 5.027 0 40 HKAB C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)n1C)C(=O)c1ccc(Cl)cc1 22029092 YAYWGQIBUGBPAP-GFCCVEGCSA-N 422.337 5.064 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2N=C(c3ccc(Cl)cc3)C[C@]2(O)C(F)(F)F)cc1 27534245 HGLSORNJIZZLJS-FQEVSTJZSA-N 424.850 5.139 0 40 HKAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 30315108 BELYSMSSEAEQDX-CQSZACIVSA-N 403.309 5.801 0 40 HKAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 31904047 JNJGGHKMSPIKAN-UHFFFAOYSA-N 420.361 5.693 0 40 HKAB Cc1cc(OC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)ccc1Cl 32623442 SEIZXDDZFJJKFA-UHFFFAOYSA-N 423.296 5.742 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc2c(s1)CCCCC2 32885725 PBSQFKVNLGPOMJ-UHFFFAOYSA-N 405.882 5.420 0 40 HKAB COc1ccc(Cl)cc1NC(=O)CSc1nc(C(C)C)nc2ccccc12 35290902 DQDOZOXPSSHZSJ-UHFFFAOYSA-N 401.919 5.146 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 40556521 LFNYQFXICGJINX-UHFFFAOYSA-N 421.806 5.758 0 40 HKAB O=C(c1ccc(COc2cccc(Br)c2)o1)N(Cc1ccco1)C1CC1 48333716 SSJAYGGYIICZMX-UHFFFAOYSA-N 416.271 5.019 0 40 HKAB COc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3ccc(F)cc3)c3ccccc32)cc1 59501074 NOQVIRQVCNCPMF-SANMLTNESA-N 403.497 5.969 0 40 HKAB COc1cc(/C=C/C(=O)OC(C)C)cc(Br)c1OCc1ccc(C)cc1 62715522 NAOAGOZFFTZDPH-MDZDMXLPSA-N 419.315 5.310 0 40 HKAB CCc1ccc(-n2cc(-c3nc(-c4cccc(OC)c4)no3)c3ccccc3c2=O)cc1 67245329 XHDYRSSKHNKAGJ-UHFFFAOYSA-N 423.472 5.279 0 40 HKAB CC(C)c1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)cc1 67298018 CNAMDMVWFJGEQJ-FLFQWRMESA-N 405.479 5.203 0 40 HKAB COc1cccc(Cc2cccc([C@@H]3CCCN3C(=O)CCCc3ccccc3)n2)c1 72358260 UULAEMQIPCAQKB-SANMLTNESA-N 414.549 5.367 0 40 HKAB Cc1ccc(Cn2nc(C)c3cc(C(=O)N4CC=C(C(F)(F)F)CC4)sc32)cc1 95441548 JQKJKDGRLOSJSJ-UHFFFAOYSA-N 419.472 5.098 0 40 HKAB Cc1cccc(NC(=O)N2CCN([C@@H](c3ccccc3)c3cc(C)ccc3C)CC2)c1 96183764 ZRMDWVWBTYHJFS-SANMLTNESA-N 413.565 5.551 0 40 HKAB O=C1/C(=C/Nc2cccc(O)c2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 103004970 PALCPSPFVQLYAI-DEDYPNTBSA-N 424.378 5.051 0 40 HKAB CN1/C(=C/[P@@](O)(=Nc2ccc(F)cc2)c2ccccc2)C(C)(C)c2ccccc21 103441348 HNMNOSZDBVYWHN-HXDOWBTDSA-N 406.441 6.160 0 40 HKAB C[C@H](N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 107450780 FVEGEUWYIKZIEV-DSIBISTPSA-N 420.940 5.282 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 216145129 WZZZABLUWZBJFH-MHZLTWQESA-N 409.529 6.226 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(Sc4ccccc4)cc3)N21 222688866 LLTLVLQMZCXKKC-YFXJRYMSSA-N 417.603 6.212 0 40 HKAB CCc1cccc(CC)c1NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc(C)c1 223522943 HPACTMHQPLVDJI-JWGURIENSA-N 402.494 5.122 0 40 HKAB S=C(NCc1ccc(Cl)cc1)Nc1ccc(Sc2ccc(Cl)cc2)nc1 223931199 WSIIOKCGYZAAQY-UHFFFAOYSA-N 420.390 6.026 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccccc1C(C)C 224226897 SYIAUHUTPGSWOD-IBGZPJMESA-N 403.522 5.889 0 40 HKAB CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)CCc1ccc(Cl)c(Cl)c1 225341195 KXMUROKVZSEBGM-UHFFFAOYSA-N 424.715 5.288 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 225365987 QJSGQYBMAZKNHX-HXUWFJFHSA-N 418.364 6.269 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(Br)cc1F 225678855 KKMSGFACQZLSTM-INIZCTEOSA-N 423.351 5.485 0 40 HKAB CCO[C@]1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 225716430 QQAIJZWRFPQGSN-TYBLODHISA-N 416.606 5.254 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc2cc(Cl)ccc2oc1=O 226041586 FMAPGYSORCSJEJ-UHFFFAOYSA-N 405.837 5.278 0 40 HKAB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)C(C)(C)C)ccc3Cl)oc2c1 408628246 RLIKTIPKZRACRC-UHFFFAOYSA-N 401.919 5.316 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)c(C)c3)n2)cc1 408693847 FYTBTAZBNGDHHO-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)nn2-c2cccc(Cl)c2C)cc1 408697812 JTZKQADTMJSBQC-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CC(C)COC(=O)c1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 408731507 NEIARWBODMOXON-STZFKDTASA-N 405.494 5.141 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1Br 409013276 UEKOGVGCPAOXHO-DYBVGFEPSA-N 412.349 5.461 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccccc2)n1CC(C)C 409106677 SJIFCGTWFITYBZ-UHFFFAOYSA-N 414.962 5.294 0 40 HKAB COc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1Cl 409110056 QKFCOSXCUOZBRB-UHFFFAOYSA-N 416.348 6.810 0 40 HKAB O=C1S/C(=C/c2ccc(Sc3ccccc3)cc2)C(=O)N1c1ccc(Cl)cc1 409190159 LRCSXBJZPJLTHL-XSFVSMFZSA-N 423.946 6.732 0 40 HKAB O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 1565519251 WCYKLTIXDQVNKJ-YADHBBJMSA-N 418.928 5.361 0 40 HKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4cccc(C(F)(F)F)c4)c(N)c3cc2C1 661864 VEPNNMBVLNICDL-LLVKDONJSA-N 419.472 5.665 0 40 HKAB FC(F)(F)c1cccc(NCn2nc(-c3ccc(Cl)cc3Cl)oc2=S)c1 1064271 MUSKGAMLPIUPDC-UHFFFAOYSA-N 420.243 6.268 0 40 HKAB CCOc1ccc2nc(Nc3nc4c(c(-c5ccccc5)n3)CCCC4)nc(C)c2c1 1459772 JQMOZZCFDRGHHN-UHFFFAOYSA-N 411.509 5.416 0 40 HKAB CC(=O)Nc1c(Cl)cc2c(c1Cl)Cc1c-2cc(Cl)c(NC(C)=O)c1Cl 1693092 QAHGXFUHGDAAGU-UHFFFAOYSA-N 418.107 5.788 0 40 HKAB Cc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC2CCCCC2)cc1 2074336 VDKAAGDNWRBUIJ-UHFFFAOYSA-N 410.562 5.999 0 40 HKAB Cc1cccc2c1NC(C)(C)c1sn(-c3cc(Cl)cc(Cl)c3)c(=S)c1-2 2290974 ULTLUQOPNYWOEA-UHFFFAOYSA-N 407.391 7.211 0 40 HKAB CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3 2294025 YYLKDCJDWJKQGP-MRXNPFEDSA-N 412.624 6.244 0 40 HKAB CCCn1nc(NC(=O)c2ccccc2Br)c2cc3cccc(C)c3nc21 2399557 HVRJWYBROGLFFM-UHFFFAOYSA-N 423.314 5.318 0 40 HKAB Cc1sc(/N=c2\cc(-c3ccc(O)cc3)oc3ccccc23)nc1-c1ccccc1 2407908 ZJSIOWXKCYEGBF-YYADALCUSA-N 410.498 6.470 0 40 HKAB COc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1 2429813 YMEFMRQGSVWFRP-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)c1ccccc1Cl 3240852 ZWXWRWIMSIVWSI-UHFFFAOYSA-N 406.894 5.014 0 40 HKAB FC(F)Sc1ccc(NC(=S)NC[C@@H](c2ccco2)N2CCCCC2)cc1 3339364 VENJVNJVJCLACW-INIZCTEOSA-N 411.543 5.108 0 40 HKAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)Nc1cccnc1Cl 3438431 RYBUXMBMGCLYSO-UHFFFAOYSA-N 412.927 5.138 0 40 HKAB COc1cc(CNC2CCCCC2)cc(Br)c1OCc1cccs1 4174198 XLGNFBTVWOKHSS-UHFFFAOYSA-N 410.377 5.521 0 40 HKAB O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCS[C@@H]1c1ccccc1Cl 4176779 SZWZVWDZJJFXBN-OAQYLSRUSA-N 415.967 5.443 0 40 HKAB CC(C)OC(=O)c1cccc(COc2ccc3oc(-c4ccco4)cc(=O)c3c2)c1 4426084 OZSQLZZFXBNDIJ-UHFFFAOYSA-N 404.418 5.197 0 40 HKAB O=C(CCSc1ccc(F)cc1)Nc1ccccc1-c1nc2ccccc2s1 4496845 KAKHLIJZNWCJKM-UHFFFAOYSA-N 408.523 6.223 0 40 HKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OCc4ccccc4)c2)N3)C1 4571599 AOCLSSMMNJRLMN-OYHNWAKOSA-N 404.535 5.881 0 40 HKAB CCOc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C(C)(C)C)cc4)c3c2c1 4969961 SQJOWEKMAJBUDD-UHFFFAOYSA-N 421.544 6.937 0 40 HKAB Cc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2cc4c(cc23)OCO4)cc1 4970067 NJMPYZLBWQOUMG-UHFFFAOYSA-N 407.473 5.895 0 40 HKAB CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3cccc(F)c3)sc2c1 5265144 JABIZAGPUROSBO-UHFFFAOYSA-N 407.470 5.076 0 40 HKAB Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CCNC(=S)Nc2cccc(Cl)c2)C1(C)C 5274545 KFGFLWQLCLUQBL-WIYYLYMNSA-N 412.002 6.246 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccc(F)cc3)oc3c(C)cccc3c2=O)cc1 5482802 KLGHJIHNBRGFTJ-UHFFFAOYSA-N 403.409 5.168 0 40 HKAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1)c1ccccc1 6426363 IFGOIZPBJXAWEI-SANMLTNESA-N 420.512 5.333 0 40 HKAB CCC(=O)N1c2ccccc2[C@@H](N(C(=O)Nc2ccccc2)c2ccccc2)C[C@@H]1C 6759018 HWWPGHGGWNLTCF-CYFREDJKSA-N 413.521 6.002 0 40 HKAB CCOC(=O)c1sc2nc(C)nc(S[C@@H](C)C(=O)c3ccc(C)cc3)c2c1C 6787331 CVGWECZYGZZCOB-ZDUSSCGKSA-N 414.552 5.157 0 40 HKAB CSc1ccccc1NC(=O)CSc1nnc(Nc2cccc(C)c2)s1 6865810 RQIPDBINLRVBBI-UHFFFAOYSA-N 402.570 5.043 0 40 HKAB C[C@@H](NC(=O)CSc1nc2cc(Cl)ccc2o1)C12CC3CC(CC(C3)C1)C2 7157194 QUMCRWBVDDBGEG-CSNVJCEJSA-N 404.963 5.294 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(OCc2ccccc2Cl)cc1 7699494 VFAWPRYUNSMOCY-UHFFFAOYSA-N 405.803 6.190 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(F)cc3)c3ccccc3n2)cc1 7939782 NVSSGKUOIWJSRV-UHFFFAOYSA-N 414.436 5.145 0 40 HKAB Cc1nc(-c2cccc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)c2)cs1 8129613 ZPLSBHIDUDFWEE-UHFFFAOYSA-N 403.463 5.216 0 40 HKAB O=C(Nc1nc(-c2cccnc2)cs1)[C@H](Sc1ccccc1)c1ccccc1 9514931 KRGALPPFLCGBNH-HXUWFJFHSA-N 403.532 5.677 0 40 HKAB COc1ccc(CC(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)cc1 12185552 DCNLXGSYYSAPFQ-JOCHJYFZSA-N 408.473 5.176 0 40 HKAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 12535774 PQFSLMHKHHRNSG-KGLIPLIRSA-N 412.440 5.641 0 40 HKAB Cc1ccc(OCC(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c(C)c1 16285019 COSBDMODLQXHKC-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB COc1ccc(-c2nc(C)c(-c3ccc(SCc4ccccc4F)nn3)s2)cc1 16838431 GFNSKEAIQGHLIJ-UHFFFAOYSA-N 423.538 6.016 0 40 HKAB Cc1ccc([C@@H](Cc2ccsc2)NCc2cccc(-n3nc(C)cc3C)c2)nc1 19215550 WIJIPRXYWORQKP-XMMPIXPASA-N 402.567 5.328 0 40 HKAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Cl)c(NCc2ccccn2)c1 19665587 MRNZVCDZIJPCNJ-UHFFFAOYSA-N 421.913 5.118 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](c1ccccc1)c1ccccc1C 20485062 JVAPYGNZANPTFB-BDYUSTAISA-N 409.529 6.211 0 40 HKAB Cc1c(Cl)cccc1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 25950320 RQQMGRRYLVNEEW-UHFFFAOYSA-N 405.885 5.216 0 40 HKAB Cc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2ccc(F)cc2)cc1 27793493 BAGYXUWZIKOLEX-RUZDIDTESA-N 402.469 5.242 0 40 HKAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1ccc(Cl)cc1F 32578550 UCRARDZHZSDSRR-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCC3)no2)cc1C 32623337 TZODDFYWLJSTOO-QFIPXVFZSA-N 423.944 5.179 0 40 HKAB CCc1ccccc1NC(=O)COc1cc(-c2ccc(OC)cc2)nc2ccccc12 32985616 NZOFDFYVUQZWQB-UHFFFAOYSA-N 412.489 5.490 0 40 HKAB O=C(Nc1cccc2ccccc12)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38834061 UOKNZAIXABFGNA-QGZVFWFLSA-N 413.348 5.997 0 40 HKAB COc1ccc([C@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 44933223 BBISUUXIACKNNK-HNNXBMFYSA-N 421.368 5.091 0 40 HKAB COc1cccc(CN(Cc2csc(-c3cccs3)n2)C2CCC(O)CC2)c1 58264342 GGWIVULJRZCCCI-UHFFFAOYSA-N 414.596 5.186 0 40 HKAB CCCCOc1ccc(-c2cc3c(=O)n(Cc4ccccc4Cl)ccn3n2)cc1 64977366 XTCQPVUUCWUPBS-UHFFFAOYSA-N 407.901 5.044 0 40 HKAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Nc1ccccc1-c1nc2ccccc2s1 65358739 XIHYYIRYRXVUHS-CYBMUJFWSA-N 405.527 5.196 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C(C)C)cc2)nc1 67294238 MYSNOGBCAUWJMV-RFBIWTDZSA-N 413.477 5.450 0 40 HKAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(Cl)cc1Cl 72229872 QAOICOYJWORMTR-LJQANCHMSA-N 406.696 5.981 0 40 HKAB CCCOc1ccccc1CCCNC(=O)c1ccccc1CCc1ccccc1 219004798 KUGBGTLJPCQOAG-UHFFFAOYSA-N 401.550 5.623 0 40 HKAB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CN3CCC[C@@H](C)C3)cc1)CC(C)(C)O2 219238337 QQZHQQHBXOESPU-XXBNENTESA-N 406.570 5.259 0 40 HKAB COC(=O)c1cn(C(=O)c2ccc(CSc3ccc(C)cc3)cc2)c2ccccc12 222572901 QXABTTZLNGWTQM-UHFFFAOYSA-N 415.514 5.717 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1OCC 222598037 AXQWQKCKXFWILY-RBUKOAKNSA-N 413.558 5.561 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4cccc(C(=O)O)c4)o3)N21 222712822 KNPOPJMDJSIINL-MAODMQOUSA-N 419.506 5.019 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)CSCc2ccccc2Cl)cc1C(C)C 223268233 OQIQQNCKWXWQJP-MRXNPFEDSA-N 405.991 5.891 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1 224360050 JAYRUFHFXONBPM-UHFFFAOYSA-N 422.550 5.025 0 40 HKAB COc1cccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)c1 225344289 GNTPBCCVAMJXGO-UHFFFAOYSA-N 401.384 5.222 0 40 HKAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1ccccc1Sc1ccccc1 225747149 BOAOGFGXOPLICW-UHFFFAOYSA-N 400.503 5.100 0 40 HKAB O=C1CC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)Oc2cc(Cl)ccc21 225826729 XLMXMXIYIKRWQB-UHFFFAOYSA-N 405.281 5.025 0 40 HKAB S=C(Nc1ccc(CSc2ccccc2)cc1)NC1(c2ccccn2)CCCC1 225855671 LWBQVFBQQDVNJJ-UHFFFAOYSA-N 419.619 6.130 0 40 HKAB CCC(C(=O)Nc1ccc(OC)c(C(F)(F)F)c1)(c1ccccc1)c1ccccc1 225956016 QIJBUFKJKWDYEP-UHFFFAOYSA-N 413.439 6.049 0 40 HKAB COc1ccc(C(=O)N2CC[C@]3(Cl)CCCC[C@@H]3[C@H]2c2ccccc2)cc1OC 245227282 JKAIHNBLNWWOSE-ZFJSRUIDSA-N 413.945 5.459 0 40 HKAB O=C(Cc1ccc(O)cc1)N1CCCC[C@@H]1c1ccc(Cc2ccccc2Cl)nc1 257248653 JEPYTPSNEOLZIK-XMMPIXPASA-N 420.940 5.328 0 40 HKAB O=C(c1ccccc1-c1ccccc1)N1CCOC[C@@H](Cc2ccc3cnccc3c2)C1 257327899 XDFTYJQYLTVEKE-QFIPXVFZSA-N 422.528 5.233 0 40 HKAB CCCOc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 408588912 XDZCXRPZNQNCQQ-UHFFFAOYSA-N 408.881 5.836 0 40 HKAB Cc1cc(C)c(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)c(C)c1 408620584 HNZSMJOUMORPSD-UHFFFAOYSA-N 400.733 6.206 0 40 HKAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Oc2ccc(Cc3ccccc3)cc2)CC1=O 408673101 WLBVPRZVINGKHO-HXUWFJFHSA-N 419.908 5.198 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cc(Cl)ccc3C)n2)cc1 408693614 BABBVSZOWJGLBG-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(Cl)cc2)nc1-c1ccc(F)cc1 408696189 XNLWPMSAISFMGQ-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2cccc(C)c2)c1 408696918 GETIWFNZMRCTSJ-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cccc(C2=N/C(=C\c3cccc(OC(=O)c4cccc(Cl)c4)c3)C(=O)O2)c1 408991253 ZLQNVUWRJWVTFO-BKUYFWCQSA-N 417.848 5.212 0 40 HKAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2ccc3ccccc3c2)c1 409096333 KTLSWWZFWYRIIV-UHFFFAOYSA-N 421.569 6.612 0 40 HKAB CCN1C(=O)S/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O 409103821 WXYFPROXQMTHAY-RIYZIHGNSA-N 412.692 5.419 0 40 HKAB CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2Cl)cc1 409104941 LKDNMPLPZVZVNJ-UHFFFAOYSA-N 421.353 5.176 0 40 HKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2)cc1Cl 409112859 CJPZFZPBHFHYDW-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1ccc(C)c(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1 409114793 LEZDWPNOFAKFHK-UHFFFAOYSA-N 401.937 7.301 0 40 HKAB Cc1cccc(Nc2cc(CC3CCN(C(=O)/C=C/c4ccccc4)CC3)ccn2)n1 585292705 RHCQIMTUZNSOCM-ZHACJKMWSA-N 412.537 5.023 0 40 HKAB COc1ccccc1CN1CCCCCOc2ccc(C)cc2Cc2cccc(c2)C1 643579775 KGEYPTQEUBWMNN-UHFFFAOYSA-N 415.577 6.159 0 40 HKAB CC1(C)CCC(N2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)CC1 2037946935 JWOSRNGJRJGSJH-NRFANRHFSA-N 400.390 5.558 0 40 HKAB c1ccc2[nH]c(-c3ccc(Oc4ccc(-c5nc6ccccc6[nH]5)cc4)cc3)nc2c1 822804 LFNLQAXSSOZTIX-UHFFFAOYSA-N 402.457 6.566 0 40 HKAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCc3c(F)cccc3Cl)cc12 1818859 SAALGWZTFOSTEK-UHFFFAOYSA-N 404.865 6.279 0 40 HKAB biogenic O=c1oc2ccc(Cl)cc2cc1-c1nnc(Nc2cccc(C(F)(F)F)c2)s1 2063626 VVHLSKPONYMUNG-UHFFFAOYSA-N 423.803 5.727 0 40 HKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)NCc1ccc(Cl)cc1Cl 2104890 NBKWWDLBFAYFGN-UHFFFAOYSA-N 421.327 6.447 0 40 HKAB COc1cccc(-c2nc(Oc3ccc(C(C)(C)C)cc3)c3ccccc3n2)c1O 2334940 KFOHKYYYVKAIQQ-UHFFFAOYSA-N 400.478 6.101 0 40 HKAB CC(C)c1ccc(Nc2nnc(SCC(=O)NCCC3=CCCCC3)s2)cc1 3274237 MNRUAPDNXPPMGD-UHFFFAOYSA-N 416.616 5.504 0 40 HKAB COc1ccc(NC(=S)Nc2ccc(Br)cc2Br)cc1 3295847 RCYICDALWVZNHG-UHFFFAOYSA-N 416.138 5.029 0 40 HKAB FC(F)(F)c1cccc(CSc2ncnc3sc(-c4ccccc4)cc23)c1 3336631 PJSOVBBHGCMTTQ-UHFFFAOYSA-N 402.466 6.669 0 40 HKAB Cc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)cc2)c2ccc(Cl)cc2)cc1 3529777 HHRWJAVKFNSYFG-UHFFFAOYSA-N 421.928 5.041 0 40 HKAB Cc1ccc(-c2nn(CN3CCCc4ccccc43)c(=S)n2-c2ccccc2)cc1 3672184 KKMCFUYXOSYXGE-UHFFFAOYSA-N 412.562 5.789 0 40 HKAB Cc1cc(C)cc(C(=O)NCCn2cc(SCc3ccccc3)c3ccccc32)c1 4059814 NETCHCPKAORYII-UHFFFAOYSA-N 414.574 5.980 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1cccc2ccccc12 4838539 MSMGBHZJOXYDBQ-UHFFFAOYSA-N 414.464 7.054 0 40 HKAB CCc1ccc(/N=c2\oc3c(OC)cccc3cc2S(=O)(=O)c2ccccc2)cc1 4937812 JCTLGWDOGWFIQF-IZHYLOQSSA-N 419.502 5.069 0 40 HKAB CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc(F)cc3)sc2c1 5265142 UGSUEGHMCJHMBH-UHFFFAOYSA-N 407.470 5.076 0 40 HKAB COc1ccc2nc(SCc3ccc(C(=O)Nc4ccc(C)cc4C)cc3)[nH]c2c1 5490466 BNETWLYBERUAJQ-UHFFFAOYSA-N 417.534 5.733 0 40 HKAB O=C(O)CC1=Cc2c(ccc3ccccc23)O[C@]12C=Cc1c(ccc3ccccc13)O2 5604960 KTZOLZOXAWWSBH-HHHXNRCGSA-N 406.437 6.046 0 40 HKAB O=C(NC1CCCCC1)c1cc(-c2ccc3c(c2)OCCO3)nc2c(Cl)cccc12 6222104 JIBNCAIRHGJZTD-UHFFFAOYSA-N 422.912 5.389 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 6495770 ABOGOGCMOLOESD-GHRIWEEISA-N 413.260 6.081 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1 6940300 PJJBUICINOULQH-INIZCTEOSA-N 415.493 5.729 0 40 HKAB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C2=O)c1 6967203 MKCXYVVDONMVOI-ZVHZXABRSA-N 413.521 5.112 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 7080055 XRUYQARWXZPMKM-INIZCTEOSA-N 408.523 5.531 0 40 HKAB C[C@H](NC(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)c1ccco1 7241975 BMFCGCHSSREICK-LBPRGKRZSA-N 415.565 5.429 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1F 7814503 QRTCZBXPWKDZJC-UHFFFAOYSA-N 401.466 5.320 0 40 HKAB O=C(c1cc(-c2cccnc2)nc2ccccc12)N1CCC(Cc2ccccc2)CC1 8191261 IOVUCRYXCCQPMC-UHFFFAOYSA-N 407.517 5.392 0 40 HKAB COc1cc2c(cc1NC(=O)c1cc(Cl)c(OC)c(OC)c1)oc1ccccc12 8486945 OEEDYJWWFLOQES-UHFFFAOYSA-N 411.841 5.518 0 40 HKAB Cc1cc(Br)c(-n2nc(C)c(-c3ccc(Cl)c(Cl)c3)c2C)cc1C 8781050 VOMMMXAZWJJEBU-UHFFFAOYSA-N 424.169 6.842 0 40 HKAB Cc1cc(-c2csc(Cc3nc4ccccc4s3)n2)c(C)n1C[C@@H]1CCCO1 8987611 DNGQWXOJZXJVLE-INIZCTEOSA-N 409.580 5.608 0 40 HKAB COc1ccc(-c2csc(N3N=C(C)C[C@@H]3c3cccc(OC)c3OC)n2)cc1 9050673 IXJJOJGZGAIPQN-LJQANCHMSA-N 409.511 5.163 0 40 HKAB Cc1sc2nc([C@@H](C)Sc3ncc(C(F)(F)F)cc3Cl)[nH]c(=O)c2c1C 9160486 PAANTVZSPKWTGW-MRVPVSSYSA-N 419.881 5.522 0 40 HKAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)c1cccc2ccccc12 9637029 BPDKQWDHYSONFP-UHFFFAOYSA-N 403.482 5.547 0 40 HKAB Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 9993490 MCMDNIAAQMKDAJ-UHFFFAOYSA-N 420.921 5.323 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2ccc3c(c2)OCCCO3)o1 9995993 AOSXPNIUOHAXMQ-UHFFFAOYSA-N 421.478 5.154 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(F)c(F)c2)cc1 12196558 CQBOASORTGPFAK-XUZZJYLKSA-N 422.431 5.224 0 40 HKAB O=C(C[C@@H]1C=CCC1)NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1 12257271 VZLWTSUHQFFWQY-GOSISDBHSA-N 410.521 5.056 0 40 HKAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc(N2CCCCCC2)cc1 12651338 FAWKUZKAQDVQOV-UHFFFAOYSA-N 423.582 5.362 0 40 HKAB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc3ccccc3c2)cc1 13370198 DZRKSWGGKFNRLO-KOEQRZSOSA-N 422.484 5.258 0 40 HKAB Fc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1c1ccc(Cl)c(Cl)c1 13424535 POEKOCMKRGWACT-OAQYLSRUSA-N 419.714 7.142 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 17093378 QQEIIBAEEIPPAZ-UHFFFAOYSA-N 422.937 6.197 0 40 HKAB CC(C)=CCC/C(C)=C\COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 17112664 FITWQBRIABOSIH-PDGQHHTCSA-N 408.925 7.185 0 40 HKAB Clc1ccc(-c2nnc(CSc3nnc(-c4ccccc4Cl)o3)o2)cc1 19928109 JXXBYBBLBYPKGE-UHFFFAOYSA-N 405.266 5.386 0 40 HKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc2ccccc12 20454564 WMAWOKGZPWQGBT-JTSKRJEESA-N 404.510 5.164 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 22239271 HKDVTCSIUGCLSH-UHFFFAOYSA-N 403.457 6.021 0 40 HKAB COc1ccc(NC(=O)N(C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)cc1 23235207 AFQTYAKAGIMJBX-QGZVFWFLSA-N 400.482 5.259 0 40 HKAB CC(C)c1ccc(-c2csc(NC(=O)CCc3nc(-c4ccco4)no3)n2)cc1 24836365 LSUVMTYXEGIDAR-UHFFFAOYSA-N 408.483 5.148 0 40 HKAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 30869791 ZKWBOOZREQPISO-CQSZACIVSA-N 402.277 6.192 0 40 HKAB Cc1ncc(NC(=O)CCCc2ccccc2)n1-c1nc(-c2ccc(F)cc2)cs1 32615942 YQLUCZZLSDLMOK-UHFFFAOYSA-N 420.513 5.405 0 40 HKAB CC(/C=C\[C@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O 33953363 SETVRSKZJJWOPA-NWBYYMLRSA-N 404.934 5.559 0 40 HKAB COc1cc(-c2nc3cccc(C)n3c2Nc2ccc(C)cc2C)cc(OC)c1O 35615735 QZGJTEPSTKJFBL-UHFFFAOYSA-N 403.482 5.393 0 40 HKAB Cc1ccccc1Nc1c(-c2ccc(OC(F)(F)C(F)F)cc2)nc2cnccn12 35615914 AFYAZBVBQZRUAU-UHFFFAOYSA-N 416.378 5.685 0 40 HKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C)cc1 44935766 WYARVXSLYMVORB-JOCHJYFZSA-N 419.396 5.781 0 40 HKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c1 52410787 IDRTUVIKBXBVDC-UHFFFAOYSA-N 401.677 5.256 0 40 HKAB COc1ccc(C(=O)Nc2c(-c3ccc(F)cc3)ncn2Cc2ccccc2)cc1F 58159761 STNAVVRRFLWAEU-UHFFFAOYSA-N 419.431 5.138 0 40 HKAB CC[C@H](C)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C(=O)OC)cc2)cc1 59498105 WBWRSQCPYIADMX-XDHUDOTRSA-N 414.505 5.758 0 40 HKAB CC(C)n1c(CNC(=O)[C@H](C)Oc2cccc(Cl)c2Cl)nc2ccccc21 72288881 GKUKYHUWDJWBMJ-ZDUSSCGKSA-N 406.313 5.008 0 40 HKAB COc1cc(CNC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1F 72427743 GKDRKNLQWUCWOE-UHFFFAOYSA-N 421.512 5.641 0 40 HKAB CCc1cc(Br)c2oc(-c3ccc(Cl)cc3Br)nc2c1 73638158 IOPQZSTYTZCYBJ-UHFFFAOYSA-N 415.512 6.236 0 40 HKAB Cc1ccc([C@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@]2(C)C3(Cl)Cl)cc1 100155750 WMVAPGMEZFZUIW-VJBWXMMDSA-N 413.319 6.748 0 40 HKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1Cl 106971560 UWYINGGNIFCYCR-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB C[C@@H]1C(=O)C(C)(C)N(C(=O)OC(C)(C)C)c2c1cc(Br)c1c2CCC1 142812888 MZSMMCPCBUZNAN-NSHDSACASA-N 408.336 5.144 0 40 HKAB S=C(NCCSCc1c(Cl)cccc1Cl)Nc1ccccc1Cl 225363582 FJTYTTAIRDWLHJ-UHFFFAOYSA-N 405.803 5.867 0 40 HKAB COc1cccc(NC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 225761853 IQWJMTHEAXSVBK-UHFFFAOYSA-N 402.494 5.868 0 40 HKAB C[C@@H]1O[C@@H]2c3cccc(O)c3O[C@](C)(CCc3ccccc3)[C@H]2C[C@@H]1c1ccccc1 257224675 FCVFNMBWUHBWDS-RKZIAWGXSA-N 414.545 6.426 0 40 HKAB O=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408584081 LMMIVJHTFDNCLZ-UHFFFAOYSA-N 400.261 5.242 0 40 HKAB CC(C)c1ccccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 408624483 XFJNSWIOXGPUED-CSKARUKUSA-N 400.305 7.029 0 40 HKAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 408628178 QHKWPDPAIFDTQM-UHFFFAOYSA-N 401.963 5.012 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(F)cc2)c1C 408696453 ACCCMDKKLDFAHJ-UHFFFAOYSA-N 404.420 5.082 0 40 HKAB COc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 408955961 ZEXBCEUPVYCDOB-MOSHPQCFSA-N 424.909 5.376 0 40 HKAB O=C(c1ccc(-c2ccccc2)cc1)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F 409362956 UGZJLYXIDIEEMM-JOCHJYFZSA-N 416.443 5.387 0 40 HKAB Cc1cccc(C(=O)Nc2nnc(SCc3ccc(Br)cc3)s2)c1 679522 LIYFFFHTFYFDFI-UHFFFAOYSA-N 420.357 5.154 0 40 HKAB O=C(CCCc1ccccc1)Nc1cccc(NC(=O)CCCc2ccccc2)c1 683142 DYKPEMMXZJZUGS-UHFFFAOYSA-N 400.522 5.609 0 40 HKAB CCOC(=O)c1c(C)n(CCOc2ccc(CC)cc2)c2c1cc(O)c1ccccc12 718040 VVWGGKJJRFJQMM-UHFFFAOYSA-N 417.505 5.627 0 40 HKAB FC(F)(F)c1cccc(NC(=S)N2N=C(c3ccco3)C[C@H]2c2ccco2)c1 1016866 XFWOUVVIVSBVMB-HNNXBMFYSA-N 405.401 5.440 0 40 HKAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 1099416 DUQKQHHYMCBFOF-UHFFFAOYSA-N 415.902 5.093 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3)c(Cl)c2)cc1C 1180406 PXFSFLPJCXNYKK-UHFFFAOYSA-N 408.885 5.227 0 40 HKAB c1ccc(Sc2nc(Sc3ccccc3)nc(Sc3ccccc3)n2)cc1 1643207 KHXOAKYTMQGYHW-UHFFFAOYSA-N 405.573 6.325 0 40 HKAB CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)o1)N(C(C)=O)c1ccccc1-2 2095208 GLEHUOOLYMAQRK-NRFANRHFSA-N 424.526 5.166 0 40 HKAB Nc1c(C(=O)c2ccc(-c3ccccc3)cc2)sc2nc3c(cc12)CCCCCC3 2151594 XSLGDOQAJHFAJH-UHFFFAOYSA-N 412.558 6.436 0 40 HKAB CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(O)c(C(C)(C)C)c1 2271415 UFLIVWPOQPMFRQ-UHFFFAOYSA-N 424.669 7.879 0 40 HKAB CC(=O)Nc1ccccc1O[C@H](C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 2643533 YZHBVIAMTZQQPH-SECBINFHSA-N 401.677 5.011 0 40 HKAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(F)cc1F 2663504 IPKDZNHKXGODPJ-FQEVSTJZSA-N 414.839 5.118 0 40 HKAB Cc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccccc12)Cc1cccs1 2722370 LBLVYQCKWNAHFR-UHFFFAOYSA-N 419.619 6.288 0 40 HKAB O=C1OC(c2ccc(Oc3ccccc3)cc2)=N/C1=C/c1ccccc1OC(F)F 3291647 XGNQCOKLXRJGRB-XMHGGMMESA-N 407.372 5.425 0 40 HKAB O=C(CNc1ccccc1Cl)Nc1ccccc1Sc1ccc(Cl)cc1 3307476 LRHDXTIVXZJYAD-UHFFFAOYSA-N 403.334 6.195 0 40 HKAB Cc1cc(C)c2nc(SCc3nc4ccc(Cl)cc4n3CCO)cc(C)c2c1 3420529 PLUGARYXASHOSB-UHFFFAOYSA-N 411.958 5.448 0 40 HKAB CCCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2)cc1 3615776 VOLASGSPYHOEAQ-QHCPKHFHSA-N 421.566 5.524 0 40 HKAB O=C1N/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1c1cccc(Cl)c1 3652892 LEBXMUPUGSJJIC-DEDYPNTBSA-N 404.853 5.016 0 40 HKAB c1ccc(Oc2ccc(C3=NN4[C@H](C3)c3ccccc3OC43CCNCC3)cc2)cc1 4371843 PAVVXXNNZKOCQX-XMMPIXPASA-N 411.505 5.102 0 40 HKAB COc1ccc(OCC(=O)n2c(SCc3ccc(C)cc3)nc3ccccc32)cc1 4812978 SSEGAAVLDIZCHJ-UHFFFAOYSA-N 418.518 5.365 0 40 HKAB Clc1ccc2c(c1)C(c1ccccc1)=NNC(c1ccc(Br)cc1)=N2 4954440 UFORYSBQJBAPHO-UHFFFAOYSA-N 410.702 5.536 0 40 HKAB Cc1cccc(NC(=O)CCCCCCCCC(=O)Nc2cccc(C)c2C)c1C 5329263 JRRTWBJVOJNXJU-UHFFFAOYSA-N 408.586 6.618 0 40 HKAB CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccccc1OC 5478390 NDWADLWVYSIJAT-UHFFFAOYSA-N 403.507 5.102 0 40 HKAB CC(C)c1ccc(-c2nc(C(=O)NCc3ccccc3)cc3c2[nH]c2ccccc23)cc1 5825720 NFTAWYCPPWIATO-UHFFFAOYSA-N 419.528 6.437 0 40 HKAB biogenic COc1ccc(-c2nc(C(=O)NCCc3ccccc3)cc3c2[nH]c2ccccc23)cc1 5959593 GVGTYMXPUZMXNV-UHFFFAOYSA-N 421.500 5.364 0 40 HKAB biogenic Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1C 6372869 BKUUTQRQVDGXNH-UHFFFAOYSA-N 412.411 5.827 0 40 HKAB CC(C)c1ccc(Cn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1 6752579 JERCJUSWDATVFT-UHFFFAOYSA-N 403.570 5.447 0 40 HKAB Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 6840523 USTAFWFFURKYTD-UKTHLTGXSA-N 407.307 6.233 0 40 HKAB COc1ccc(CNCc2ccc(OCc3ccc(F)cc3Cl)c(OC)c2)cc1 7538579 IABMERLZXJZBMO-UHFFFAOYSA-N 415.892 5.365 0 40 HKAB COc1cccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)c1 7604406 MVKGTEICPAMTST-UHFFFAOYSA-N 404.853 5.090 0 40 HKAB Cc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccc(-c3ccccc3)cc2)cc1 8425215 XEPAFULZACDFSQ-QHCPKHFHSA-N 424.422 5.272 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc(C)c1Cl 8586769 ZAFHFSOHIGJYSZ-INIZCTEOSA-N 420.896 6.171 0 40 HKAB C[C@@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)c1cccc(Cl)c1 8892848 PNDIGENQQZIZKR-SNVBAGLBSA-N 423.719 5.516 0 40 HKAB CC1=C(C)[C@@H](c2c(-c3ccc(F)cc3)n(C)c3ccccc23)N(C[C@@H]2CCCO2)C1=O 9095166 RRGUPCGBHLLZEV-RDPSFJRHSA-N 418.512 5.383 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2cccnc2Cl)c1 9119633 HTNCJBRVIJSPHD-UHFFFAOYSA-N 419.790 5.258 0 40 HKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)Nc1ccc(Cl)cn1 9742809 JFFLBCBTRLRNBL-UHFFFAOYSA-N 424.888 5.215 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 10120335 WTUDOGBXDFWWTM-UHFFFAOYSA-N 400.478 5.440 0 40 HKAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)c1cc2cc(Cl)ccc2o1 12749843 YKVJIQHOMCKJJX-UHFFFAOYSA-N 415.927 5.716 0 40 HKAB C[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(C(C)(C)C)cc1 13668467 RQSPVOPBQYDHGV-HNNXBMFYSA-N 420.416 5.857 0 40 HKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 13710495 AZXWFZONNUIMOY-HXUWFJFHSA-N 405.563 6.310 0 40 HKAB CC(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)s1 14198211 YLHRITZINLRKPG-KRWDZBQOSA-N 422.937 5.647 0 40 HKAB COc1ccc(C(=O)C2CCN(Cc3nc4ccccc4c(C)c3Cl)CC2)cc1 14326271 ZJBYZOQRLKZUQI-UHFFFAOYSA-N 408.929 5.300 0 40 HKAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccccc1Br 14506048 JTLKIXFMGXHINT-UHFFFAOYSA-N 415.268 5.678 0 40 HKAB COc1ccc(-c2csc(NC(=O)CSc3ccc(Cl)cc3)n2)c(OC)c1 15323969 RFBXGHXUZJVAEW-UHFFFAOYSA-N 420.943 5.212 0 40 HKAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NC1CC1 16015099 JAUSOYSPQOLPCV-UHFFFAOYSA-N 416.546 5.040 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3o2)c1 17087541 PNGFDKJCWWANMX-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)C(C)(C)C)cc3)nc2c1 17088325 DRMKXKVZDGPWTF-UHFFFAOYSA-N 409.555 5.155 0 40 HKAB COc1ccc(OCCN(C)C(=O)c2ccccc2SCc2cccs2)cc1 21927591 VTBRXHHYNUAIBG-UHFFFAOYSA-N 413.564 5.200 0 40 HKAB Brc1ccccc1-c1nnc(CSc2nnc(C3CCCCC3)o2)o1 22892196 YOIYXQFQBOWSRV-UHFFFAOYSA-N 421.320 5.222 0 40 HKAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCCC1)C12CC3CC(CC(C3)C1)C2 27664515 FSCXFLREYLAUHU-NIRMEOIISA-N 400.994 5.200 0 40 HKAB CCCSc1ncc(Br)c(C(=O)Nc2ccc3ccccc3c2)n1 27795431 HPYAMMVXPVNKMQ-UHFFFAOYSA-N 402.317 5.147 0 40 HKAB Cc1ccc2c(C)c(C(=O)Nc3nonc3-c3ccc(Br)cc3)oc2c1 27989996 DQAJWBPNHJIKLY-UHFFFAOYSA-N 412.243 5.114 0 40 HKAB CN(Cc1ccsc1)C(=O)c1ccccc1C(=O)c1ccc(Br)cc1 29700004 CLZXUBBRTCJHFF-UHFFFAOYSA-N 414.324 5.014 0 40 HKAB Cc1ccc(NC(=O)CSCc2csc(-c3ccco3)n2)c(Br)c1 31420478 SVRFHVMPVVQVPQ-UHFFFAOYSA-N 423.357 5.346 0 40 HKAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)NC1CCC(C(F)(F)F)CC1 32802945 KUBDBLQFXXLEGF-UHFFFAOYSA-N 423.460 5.477 0 40 HKAB Cc1nn2c(ncc3c(=O)n([C@H]4CCCC[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40397621 MGXJNNLKEXNCTM-LIRRHRJNSA-N 406.917 5.424 0 40 HKAB CSc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccc(F)cc2)cc1 40485701 RMQJDVUXCUNKHL-JOCHJYFZSA-N 405.494 5.600 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(C)c1Cl 40913196 UIJGJBBKEKHGAR-SFHVURJKSA-N 409.913 5.942 0 40 HKAB Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 44905836 PEVCKHKBDBVFAB-KRWDZBQOSA-N 419.396 5.700 0 40 HKAB Cc1ccc2c(Nc3ccc(C(C)C)cc3)c(C(=O)N3CCC[C@@H](C)C3)cnc2n1 49005412 XCLUPFXIAFVNDE-QGZVFWFLSA-N 402.542 5.677 0 40 HKAB O=C(c1cc(-c2ccccc2Cl)[nH]n1)N(Cc1ccccc1)Cc1ccccc1 57413190 XOZAMBYIZZWSDC-UHFFFAOYSA-N 401.897 5.573 0 40 HKAB CCOc1cc(CNc2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl 59056226 NDNFHYBERMUPKK-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 59462033 ARTDFFRGUUTWHH-UHFFFAOYSA-N 418.246 6.256 0 40 HKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1)C1CCC1 72215468 JDMSZGZHLNNEGR-QHCPKHFHSA-N 421.585 6.103 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1 72230036 SPYUVKHJIJOHOQ-DEOSSOPVSA-N 409.913 5.563 0 40 HKAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1cccc(Nc2nccs2)n1 72375562 DWIJYWJZDBYXBZ-FQEVSTJZSA-N 417.538 5.059 0 40 HKAB Cc1cccc(Nc2nnc(SCC(=O)N[C@H](C)c3ccccc3Cl)s2)c1 89672880 QBCUKMYBHPLDFJ-CYBMUJFWSA-N 418.975 5.213 0 40 HKAB CCN1C(=O)[C@@H](Cc2oc3ccc(F)cc3c2C)c2cc(Br)ccc21 101015007 IZLSZTVDXMNEJY-INIZCTEOSA-N 402.263 5.336 0 40 HKAB C[C@]12CN(Cc3ccccc3)C[C@@](C)(CN(Cc3ccc(Br)cc3)C1)C2 101074395 FKBSJNGFRWUAAW-GOTSBHOMSA-N 413.403 5.183 0 40 HKAB Cc1cccc(Cl)c1NC(=O)CN1C(=O)CC(c2ccccc2)=Nc2ccccc21 101354167 NFCWQIMCXNDGQU-UHFFFAOYSA-N 417.896 5.145 0 40 HKAB N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1[C@H]1CCCc2ccccc21 102721741 OQBNPFGNLHPEJP-IBGZPJMESA-N 421.953 6.103 0 40 HKAB COc1ccccc1CCC1CCN(C(=O)c2n[nH]c3c2C[C@H](C(C)(C)C)CC3)CC1 141557569 WGNFCDRBKFPXEP-HXUWFJFHSA-N 423.601 5.054 0 40 HKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 222956150 ALCIYVYTAUCNFK-LEWJYISDSA-N 410.974 5.298 0 40 HKAB O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1cccc(C(F)(F)F)c1 222964824 IVPCAGHVRBIIAO-UHFFFAOYSA-N 407.823 5.139 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 223244863 ACCUEEXIJWMTTH-DHIUTWEWSA-N 423.553 5.150 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccc2ccccc2c1 224312372 DKGPHZDQSCMJBN-UHFFFAOYSA-N 417.892 6.333 0 40 HKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(CC)c2C)cc1 224332487 GLJWLRYFFYSHIB-PKTZIBPZSA-N 404.583 5.259 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccccc1C(C)C 224565166 WCOAINOYXOLZDT-UHFFFAOYSA-N 423.940 6.693 0 40 HKAB CC(C)C[C@@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccccc1 225493791 YAQGUNYSIPAJDH-QGZVFWFLSA-N 411.796 6.176 0 40 HKAB S=C(NCCOc1ccccc1Cl)Nc1ccc(Br)c(Cl)c1 225780178 URAVDDZGOKIVTN-UHFFFAOYSA-N 420.159 5.121 0 40 HKAB CCOC(=O)c1cc(NC(=S)NC2(c3cccc(C)c3)CCCC2)ccc1Cl 225866092 NMVKHVIPYYAOJD-UHFFFAOYSA-N 416.974 5.581 0 40 HKAB COC(=O)c1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 247847737 QEBJONZHHABPSV-HEYXNXDSSA-N 402.321 6.077 0 40 HKAB O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 250643990 HYZRTANCWKKQLC-UXXUOJDYSA-N 408.545 5.913 0 40 HKAB Cc1ccc(SCCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 408573357 CLCCPIOATAFUAJ-UHFFFAOYSA-N 405.607 6.584 0 40 HKAB COc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 408614686 GJTIUIJWMBVEMP-UHFFFAOYSA-N 416.521 5.175 0 40 HKAB Cc1ccccc1N1C[C@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O 408673986 YDNVBSFBFVEZEN-HXUWFJFHSA-N 413.517 5.279 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(Cl)cc2)c1 408699442 UGSSIFAOXKRSHN-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB COc1ccc2c(Cl)c(C(=O)Nc3cc(Cl)cc(Cl)c3)sc2c1Cl 408974555 ZRAVCJAQSPFXKN-UHFFFAOYSA-N 421.132 6.776 0 40 HKAB S=C(NCc1ccccc1)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408978870 NZNQRGZJEYQTAC-UHFFFAOYSA-N 424.533 5.107 0 40 HKAB CC[C@H](C)n1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 409236004 RBUQUJZHVOYWOX-NGZBARDMSA-N 424.953 6.502 0 40 HKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1ccccc1C(F)(F)F 648806 NNQUAVAYUMFVJY-UHFFFAOYSA-N 423.485 5.320 0 40 HKAB Cc1cccc(-c2nnc(-c3cccc(NC(=O)CSc4ccccc4)c3)o2)c1 693076 PTWIZYYQILRFNR-UHFFFAOYSA-N 401.491 5.443 0 40 HKAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccccc4Br)c3)nc2c1 726755 OOOUFJXQYUJBTN-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB CC(=O)O[C@@H](C(=O)N1c2ccc(C)cc2[C@H](c2ccccc2)C[C@@H]1C)c1ccccc1 1128060 ROAYLNQSSLPWTL-FPDDQMOCSA-N 413.517 5.557 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1 1369104 PMQWLGQMTPXPQH-ROUUACIJSA-N 423.504 5.474 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c1 1413932 KODOZOZVYWGRMZ-UHFFFAOYSA-N 414.505 6.054 0 40 HKAB CCOC(=O)c1c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc(C)c1C 1773515 HJLCWGJMYNPPOP-UHFFFAOYSA-N 417.571 5.637 0 40 HKAB O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1cccc(Cl)c1 1946605 CBRWERDBZMAMDV-UHFFFAOYSA-N 417.679 6.707 0 40 HKAB O=C(Oc1ccc2ccccc2c1)c1cccc(C(=O)Oc2ccc3ccccc3c2)c1 2028838 FTZCFBYHKRWBOU-UHFFFAOYSA-N 418.448 6.431 0 40 HKAB Cc1oc2c(cc(NS(=O)(=O)c3ccc(Cl)cc3)c3ccccc32)c1C(=O)O 2184800 SKHQMXNBWXUVIS-UHFFFAOYSA-N 415.854 5.047 0 40 HKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc2ccccc2cc1O 2264556 LERMNBSCJUORJP-XMMPIXPASA-N 416.860 5.980 0 40 HKAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)c(C)c2)cc1 2405374 FDKMEPKPBLRQND-UHFFFAOYSA-N 418.522 5.099 0 40 HKAB CN(C[C@H](O)COc1c(Cl)cccc1Cl)C(c1ccccc1)c1ccccc1 2624232 SEQOJOCOZSWYNG-IBGZPJMESA-N 416.348 5.455 0 40 HKAB Cc1sc2ncnc(SC(c3ccccc3)c3ccccc3)c2c1-c1ccccc1 2679431 NKMKUBOYXPEFAP-UHFFFAOYSA-N 424.594 7.548 0 40 HKAB Clc1ccc(COn2c(-c3ccccc3)nc3ccc(Cl)cc32)c(Cl)c1 3063564 DJRJNRMGEQHELN-UHFFFAOYSA-N 403.696 6.292 0 40 HKAB Cc1ccc2nc(NC(=O)c3ccccc3OCCOc3ccccc3)sc2c1 3272607 TXKNPFORXSLEHB-UHFFFAOYSA-N 404.491 5.315 0 40 HKAB Cc1sc2nc(CN[C@@H]3CCCc4ccccc43)[nH]c(=O)c2c1-c1ccccc1 3288705 SURDDPLBAWLVPX-LJQANCHMSA-N 401.535 5.127 0 40 HKAB CCCCN(CCCC)CCCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 4073592 FGNDTNHMDIFKKW-BZJCUTCFSA-N 418.666 5.183 0 40 HKAB biogenic Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CNC(C)(C)C 4139854 OOFSAWSYBOPCGL-HSZRJFAPSA-N 412.577 6.033 0 40 HKAB O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1cccc2ccccc12 4167503 RXTJBPIRWZQWEK-UHFFFAOYSA-N 411.939 5.743 0 40 HKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1nc2ccccc2s1 4176527 NJGXBJGJHXFNII-UHFFFAOYSA-N 413.527 6.339 0 40 HKAB O=C(Nc1cccc(Cl)c1)N(Cc1nnc2n1CCCCC2)c1cccc(F)c1 4518100 QEHBNMLIEFFSCR-UHFFFAOYSA-N 413.884 5.036 0 40 HKAB CN(C)c1ccc(N2C(=O)C3(CCCCC3)[C@@H]2c2ccc(Br)cc2)cc1 4623024 QZHAUVIEVDVVDR-FQEVSTJZSA-N 413.359 5.554 0 40 HKAB COc1ccc(C(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1OC 4626349 ROORUZIGUXYIAY-UHFFFAOYSA-N 418.518 5.077 0 40 HKAB C[C@@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 4649486 MKCSKRCYYLFVSQ-UZNLNLPZSA-N 419.409 6.059 0 40 HKAB COc1ccccc1C1(O)[C@@H](C)[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)[C@@H]1C 4714098 LTBHDKLBZYZJDK-HKDRDPIHSA-N 401.550 5.583 0 40 HKAB CCOc1ccc(C2=C(CN(C)C)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 4833970 PQBWSADFQMBVPS-VWLOTQADSA-N 403.497 5.722 0 40 HKAB CC1(C)C[C@@]2(CCO1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 4889308 YIVYQIXTTHHSIR-SIKLNZKXSA-N 417.336 5.822 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Nc1ccc(Cl)cc1 5473874 KINFJWOCWOOUCM-UHFFFAOYSA-N 400.887 5.889 0 40 HKAB COc1ccc([C@H]2OC[C@]3(COC(=O)c4ccccc4)[C@@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 5723268 VGRINMHUNLQXBU-UTGBEIBVSA-N 406.522 5.458 0 40 HKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)c(C)c1 6161538 KIISYGIEUAIEID-UHFFFAOYSA-N 420.365 5.708 0 40 HKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 6243481 PCLBIFUNWHXPSV-SFHVURJKSA-N 418.562 5.906 0 40 HKAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)NCCC1=CCCCC1 6424011 XMAUJUQQMGTPEV-UHFFFAOYSA-N 419.594 5.378 0 40 HKAB CCn1c(SCc2ccc(C)cc2)nnc1[C@H](C)NC(=O)c1ccccc1Cl 6605391 VZQMWAUHAVXDAE-HNNXBMFYSA-N 414.962 5.043 0 40 HKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 6934865 YHNQAONTFXMPCW-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 7699713 UIRXWIWSZAPTSS-UHFFFAOYSA-N 409.869 5.348 0 40 HKAB Cc1cccc(COc2cccc(C(=S)N3CCC(Cc4ccccc4)CC3)c2)c1 9188328 LRUGKXPLAGJQBN-UHFFFAOYSA-N 415.602 6.204 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCC3 9427889 YZFJXIGPJCMWCJ-UHFFFAOYSA-N 423.925 5.841 0 40 HKAB CCCCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(C)cc3)n2)cc1 9625309 KFTSNDLMZBGCEX-UHFFFAOYSA-N 422.554 5.619 0 40 HKAB Cc1ccc2sc(N(Cc3cccnc3)C(=O)CSc3ccccc3)nc2c1C 10187745 FPYYMSQVQTXIRW-UHFFFAOYSA-N 419.575 5.634 0 40 HKAB COc1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)cc1Cl 10386477 KKJVQSWLUBHLJQ-UHFFFAOYSA-N 420.687 5.528 0 40 HKAB O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1cccc(OCc2ccc(Cl)cc2)c1 12285375 BGSPCAGUHZVBMY-CIAFOILYSA-N 424.283 5.917 0 40 HKAB COc1ccc(-c2cc(NC(=O)CCCC(=O)c3cccs3)ccc2OC)cc1 12765315 GUIPBVSKOIKRNS-UHFFFAOYSA-N 409.507 5.424 0 40 HKAB COc1ccc(NC(=O)[C@H](C)SCc2ccc(Cl)c(Cl)c2)cc1OC 13012329 JGHKYIYURWADSF-NSHDSACASA-N 400.327 5.271 0 40 HKAB C[C@@H]1CCCC[C@@H]1N[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 13097384 KRKDELWOURNERO-VOBQZIQPSA-N 424.894 6.207 0 40 HKAB Cc1c(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)oc2ccc(Cl)cc12 15833132 BECZBECMZYHKCN-UHFFFAOYSA-N 418.905 6.924 0 40 HKAB c1ccc(CCn2c(-c3ccc4ccccc4c3)cs/c2=N\c2ccccc2)cc1 16711338 WYWYOTGEYGRNMJ-DQSJHHFOSA-N 406.554 6.845 0 40 HKAB O=C(COc1ccccc1Cl)Nc1nc(-c2ccc(Br)cc2)cs1 17093704 NRTJTFQJGPMPDJ-UHFFFAOYSA-N 423.719 5.244 0 40 HKAB Clc1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)o2)c(Cl)c1 20759886 RFBZGHHJHBQQCN-UHFFFAOYSA-N 406.121 6.643 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1Nc1ccc(F)c(Cl)c1 22053487 YTVUSQKVDVWERE-UHFFFAOYSA-N 409.770 5.889 0 40 HKAB Cc1sc2ncnc(N3CCC(C(=O)Nc4ccccc4C(C)(C)C)CC3)c2c1C 22395005 PAQQOKFZCHHBRE-UHFFFAOYSA-N 422.598 5.461 0 40 HKAB O=C(CSc1nc(O)c2ccsc2n1)N1c2ccccc2Sc2ccccc21 26116046 QUHWFWXYYUWIOO-UHFFFAOYSA-N 423.544 5.319 0 40 HKAB CCCCOc1ccc(-c2nonc2NC(=O)c2oc3cc(C)ccc3c2C)cc1 27990132 IWHICUNRTQYAKD-UHFFFAOYSA-N 405.454 5.531 0 40 HKAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1ccccc1 28652827 OOGLFISCRKTWKJ-IFXJQAMLSA-N 407.341 5.015 0 40 HKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc4ccccc4c3)sc2c1 32118965 XUXUCHCCQSEEKY-UHFFFAOYSA-N 419.575 5.919 0 40 HKAB CCOC(=O)c1nn(-c2ncc(Cl)cc2Cl)c2c1CC/C2=C\c1ccccc1 32706049 JFNUEWZEVHCSMF-GXDHUFHOSA-N 414.292 5.238 0 40 HKAB O=C(CSCc1ccc(Br)cc1)Nc1cc(Cl)cc(Cl)c1 33720753 UUZBSSUABFVZTK-UHFFFAOYSA-N 405.144 5.628 0 40 HKAB COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)cc1 36365785 WKHBGIREOFSBHU-HSZRJFAPSA-N 418.537 5.129 0 40 HKAB COC(=O)c1ccc(C(=O)N2CC[C@H](C)Sc3ccc(C(F)(F)F)cc32)cc1 36397775 YQGPVOFDUQRWGL-LBPRGKRZSA-N 409.429 5.023 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)/C(=C/c4ccccc4)C[C@H]32)C1 36621762 PYLBSMLISGOFKG-FYKQDTRHSA-N 418.577 6.144 0 40 HKAB O=C(NCCSCc1ccc(Cl)cc1)c1ccc(CN2CCCCCC2)cc1 38848561 DXGGKOLHESSCRA-UHFFFAOYSA-N 417.018 5.379 0 40 HKAB CC(=O)Nc1ccc(NC(=S)N2CCc3sccc3[C@@H]2c2cccs2)cc1 41728689 ARYPHHASPVOUCM-LJQANCHMSA-N 413.593 5.113 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccc(CN2CCCCC2)cc1 44873254 DTWKHPCIEPVNPV-PKNBQFBNSA-N 403.353 5.309 0 40 HKAB O=C(NCC1(c2ccc(F)cc2)CCCC1)c1cccnc1Nc1cccc(F)c1 58328724 VEYIZJJIZJMZLO-UHFFFAOYSA-N 407.464 5.345 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@]12C 59771122 YEYCQJVCAMFWCO-VTJNYFSKSA-N 414.674 7.569 0 40 HKAB COc1cccc(-c2nc(N3CCC(C)CC3)c3oc(-c4ccccc4)nc3n2)c1 61997341 PWQVJOWVYHLDBT-UHFFFAOYSA-N 400.482 5.197 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2N(C)c2ccccc2)cc1 72214297 MJRYNGIFHAFBNR-QHCPKHFHSA-N 421.566 5.074 0 40 HKAB CC(C)n1cnc2c(-c3ccccc3)nc(C3CCN(C(=O)c4ccccc4)CC3)cc21 96155637 CDBCZVLXIJERKY-UHFFFAOYSA-N 424.548 5.699 0 40 HKAB CCOC(=O)c1c(NC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)sc2c1CCCC2 102572137 XLFCYUNHKBDJJR-CDZRIVGQSA-N 415.599 5.739 0 40 HKAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)C1C[C@@H]2CCC[C@@H](C1)C2=O 102833768 YPWMAJREMJDBOQ-QWRGUYRKSA-N 409.338 5.451 0 40 HKAB CCCC[Sn](CCCC)(CCCC)c1cncc(Cl)n1 196214114 ZJZZSOSLPVDQJO-UHFFFAOYSA-N 403.586 5.186 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccc(C)cc1 224130475 IKDVPIDCYUXTDE-QGZVFWFLSA-N 409.913 5.727 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1CSc1ccc(C)cc1 224343960 VEXIHAHLCUNVDK-KRWDZBQOSA-N 409.526 5.926 0 40 HKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 224548345 LOLIEAHUUKWCMB-RUZDIDTESA-N 422.613 5.322 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc2c(c1)OCC1(CC1)CO2 225367617 KLUNJHZMVOGPBF-UHFFFAOYSA-N 421.880 5.936 0 40 HKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccccc1 225506944 WTNBEXYTODPDED-VWLOTQADSA-N 416.590 6.392 0 40 HKAB Cc1ccc(CN(C(=O)CCc2cccc3ccccc23)[C@@H](C)C(=O)NC(C)C)cc1 225532996 QBYYKRKTUIWXLX-NRFANRHFSA-N 416.565 5.023 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225848026 RQKMEMMWPTYDJS-HSZRJFAPSA-N 407.551 5.355 0 40 HKAB CN(Cc1ccccc1F)C(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 225909620 HQCXLNNBETZGIQ-MRXNPFEDSA-N 409.332 5.003 0 40 HKAB CCOc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3ccc(OC)cc3)C[C@@H]21 227486294 LGTCWJSYPZONER-CVDCTZTESA-N 406.507 5.398 0 40 HKAB CC(=O)Oc1ccc(OC(C)=O)c(C[C@]2(C)[C@H](C)CC[C@]3(C)[C@H](C)CCC[C@H]32)c1 253490627 JNPCOXQSZZCMMB-LGDYHXFWSA-N 400.559 5.958 0 40 HKAB O=C(COc1ccc(CNc2ccccc2Cl)cc1Cl)Nc1ccccc1F 408557132 MZVBMSVHHPNDGB-UHFFFAOYSA-N 419.283 5.762 0 40 HKAB CCc1s/c(=N\C(=O)c2cccc3ccccc23)n(CC)c1-c1ccc(F)cc1 408560942 FYZRVYGTORICKD-LCUIJRPUSA-N 404.510 5.832 0 40 HKAB Cc1nc(CN2CCC3(CC2)CO[C@@H](c2cccc(Cl)c2)[C@H](C(C)C)C3)cs1 1615527012 CXXJURSFFBVMLP-VXKWHMMOSA-N 419.034 6.121 0 40 HKAB COC(=O)c1ccccc1NC(=O)c1ccc(COc2cc(Cl)ccc2Cl)o1 669156 PFWROUVPIXEEAU-UHFFFAOYSA-N 420.248 5.204 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1cccc(Br)c1 679895 VTLPSRJACXQKQT-UHFFFAOYSA-N 418.722 5.216 0 40 HKAB Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccccc3Cl)C2)cc1 710103 LHZOBCWAGLSUDV-JOCHJYFZSA-N 410.926 5.188 0 40 HKAB CCCC(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 724346 XUGIBFOQWFZJRK-UHFFFAOYSA-N 408.310 5.415 0 40 HKAB CC(C)CC(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 724352 ZIBRFTDJJNRIOD-UHFFFAOYSA-N 422.337 5.661 0 40 HKAB Cc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)N3CCCCCC3)c2c1 1367634 SRUFFCOFRPMSOS-UHFFFAOYSA-N 409.530 5.239 0 40 HKAB Brc1ccc(-c2nnc(SCc3ccccc3)n2-c2ccccc2)cc1 2082182 GNQXGBUREHQKSQ-UHFFFAOYSA-N 422.351 5.989 0 40 HKAB COc1cccc(Oc2coc3cc(OCc4cc(C)ccc4C)ccc3c2=O)c1 2098692 WFYBQUWECPWZMW-UHFFFAOYSA-N 402.446 5.790 0 40 HKAB biogenic CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(C(C)C)cc1 2427850 QVUQQUFVDLBXEO-LXFBAYGMSA-N 403.503 5.533 0 40 HKAB COc1cc2c(cc1NC(=O)c1oc3c(Cl)cccc3c1C)oc1ccccc12 2634331 QWPGHOKESULWDL-UHFFFAOYSA-N 405.837 6.555 0 40 HKAB O=C(NCc1ccc(Cl)c(Cl)c1)[C@@H](Sc1ccccc1)c1ccccc1 2736949 FHHVFTRLZMXEAZ-FQEVSTJZSA-N 402.346 6.143 0 40 HKAB Cc1cc(C)nc(S[C@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 2764298 SOQLMYPUTHQEGK-VQTJNVASSA-N 418.628 5.268 0 40 HKAB COc1cnc(SCc2ccc(Cl)cc2)nc1Sc1ccc(Cl)cc1 3128587 OGIWPPYFNFACOO-UHFFFAOYSA-N 409.363 6.236 0 40 HKAB Cc1ccc(C(=O)[C@@H](OC(=O)c2cc(=O)c3ccccc3o2)c2ccc(C)cc2)cc1 3316532 GHZFNGCQXQFFEL-VWLOTQADSA-N 412.441 5.191 0 40 HKAB O=C(C1c2ccccc2Oc2ccccc21)N1CCN=C1SCc1ccc(F)cc1 4119979 QVKDSQIURJMKGL-UHFFFAOYSA-N 418.493 5.195 0 40 HKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCc3ccc(Cl)cc3)c2c1 4130055 ANJRXFHRRDADOV-UHFFFAOYSA-N 408.929 6.944 0 40 HKAB Cc1ccccc1OCC(=O)Nc1ccc(C(=O)Nc2cccc3ccccc23)cc1 4195741 AECWXAOXVZRNSG-UHFFFAOYSA-N 410.473 5.418 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)cc1C 4554457 QIUXTCRVGYSGRH-UHFFFAOYSA-N 406.938 6.794 0 40 HKAB CC(C)(C)c1ccc(COC(=O)c2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 4610705 WSKGKQCGXMKCFR-UHFFFAOYSA-N 412.489 6.058 0 40 HKAB Cc1ccc(C)c(SCc2nn3c(Cc4ccc(Cl)cc4)nnc3s2)c1 4667832 MVDLJWOWKCXGPW-UHFFFAOYSA-N 400.960 5.339 0 40 HKAB CC(C)c1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1 5021698 GMDUJFOTTOPNDT-UHFFFAOYSA-N 420.560 7.057 0 40 HKAB CCOc1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 5750743 YSIDKGCCXPHSHR-QGZVFWFLSA-N 405.450 5.062 0 40 HKAB CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc(Cl)cc3)cc12 5855063 XPMUVELQRATLHZ-UHFFFAOYSA-N 406.917 5.277 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 6050014 PYKPOWFZAQVUPE-MDWZMJQESA-N 415.316 7.133 0 40 HKAB Cc1ccc(SCC(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 6814800 KFBVUSOEEVBUMA-UHFFFAOYSA-N 408.910 6.187 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(N2CCCCC2)cc1 7504740 QCVRTIZGHHJDBF-UHFFFAOYSA-N 406.913 6.375 0 40 HKAB CCOc1c(Br)cc(Br)cc1CNCc1ccc(C)cc1 7538157 QIBSKZYRENZNCJ-UHFFFAOYSA-N 413.153 5.209 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccccc1N1CCCC1=O 8267465 IFLGKFTYIGJJGO-UHFFFAOYSA-N 413.502 5.342 0 40 HKAB O=C(CCOc1ccccc1)N(Cc1cccnc1)c1nc2c(Cl)cccc2s1 8601574 FVELDUSVVRTKNE-UHFFFAOYSA-N 423.925 5.347 0 40 HKAB O=c1[nH]c2ccccc2c(-c2ccccc2)c1Sc1nc(O)cc(-c2ccccc2)n1 8925891 QHYVGGACGNVRFW-UHFFFAOYSA-N 423.497 5.509 0 40 HKAB COCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccc(C)cc1 9059704 IIKJRCAQOGQCAO-UHFFFAOYSA-N 416.525 5.245 0 40 HKAB CCCN1C(=O)C2=C(CCCC2)[C@H]1c1c(-c2cccc(OC)c2)[nH]c2ccccc12 9190724 ZHURDOYKMGJPEM-VWLOTQADSA-N 400.522 6.007 0 40 HKAB Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)n1 9192083 USKVFAOAHPBPTR-HSZRJFAPSA-N 424.500 5.544 0 40 HKAB Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)c1 9193240 MDCKYKVTFKXLBM-FQEVSTJZSA-N 420.827 5.039 0 40 HKAB COCc1nn2c(nnc3c(O)cc(-c4ccccc4)cc32)c1-c1cccc(Cl)c1 9287582 NUGITQDQMDVANS-UHFFFAOYSA-N 416.868 5.117 0 40 HKAB COc1cccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccc(C)cc2)c1 9308350 UCLIGRRAFXPLBK-UHFFFAOYSA-N 421.953 6.197 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc2)cc1 10111795 BUVUFNHZPRWLCJ-FQEVSTJZSA-N 417.618 7.076 0 40 HKAB Cc1cc(N2CCCC2)ccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 12522066 WKNZKYVTONGVBV-UHFFFAOYSA-N 418.516 5.051 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc(Oc2ccccn2)cc1 12522746 HAZJUCZEHGGFDU-UHFFFAOYSA-N 404.510 6.138 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12993042 YMBPZGCEIBMQHL-JRUMVTRASA-N 421.368 5.139 0 40 HKAB Cc1ccccc1CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757594 WDJYHZOZYRGJJN-UHFFFAOYSA-N 407.542 6.688 0 40 HKAB CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(Cl)c(C)c3)cc2s1 17091261 KHJWOKVDAXGMTO-UHFFFAOYSA-N 417.918 5.014 0 40 HKAB COc1ccc(-n2c(-c3ccc(C)cc3)cs/c2=N\C(=O)c2ccccc2)cc1 17117737 PGZKGWWCBOJPNV-IZHYLOQSSA-N 400.503 5.264 0 40 HKAB CC1CCN(c2nc(Nc3ccc(Cl)cc3)c3cnn(-c4ccccc4)c3n2)CC1 17246106 AYYDWLRULSQAPG-UHFFFAOYSA-N 418.932 5.449 0 40 HKAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1C(=O)NC1CCCC1 17365982 PICOSZKJJFEIAO-UHFFFAOYSA-N 411.552 5.105 0 40 HKAB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3cccc(Cl)c3)cccc2c1Cl 18208910 LBYKEENLDDNILF-UHFFFAOYSA-N 421.349 5.989 0 40 HKAB Cc1cc(N/C=C2/C(=O)N(Cc3ccccc3)C(=O)c3ccccc32)c2ccccc2n1 18270491 ZAFINYZGMKIMJH-XQNSMLJCSA-N 419.484 5.179 0 40 HKAB Cc1cc(-c2cnc(C3CCN(C(=O)CC4CCCCC4)CC3)nc2C(C)C)on1 19121632 WDAGCOKUYBUDAQ-UHFFFAOYSA-N 410.562 5.240 0 40 HKAB Cc1cc(C)cc(-c2nnc3sc(-c4ccc(-c5ccc(Cl)cc5)o4)nn23)c1 19910166 ZNVSTCMAWCXLSE-UHFFFAOYSA-N 406.898 6.050 0 40 HKAB O[C@](CNCc1cccc(C(F)(F)F)c1)(c1ccccc1)c1ccc(Cl)cc1 20219118 NGZHSBLEKIJMFY-OAQYLSRUSA-N 405.847 5.385 0 40 HKAB CC[C@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1 20610964 POBUJJNCEFKRCS-KRWDZBQOSA-N 400.482 5.159 0 40 HKAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(Cl)c(C(F)(F)F)c1 21587658 UFPQCRBOHPLSNJ-UHFFFAOYSA-N 401.797 5.042 0 40 HKAB Cc1ccc(N(Cc2ccco2)C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1 22279698 KKSRRLLAAGUZCM-UHFFFAOYSA-N 422.431 5.687 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN[C@@H](C)c4cccc(Cl)c4)[nH]c(=O)c23)cc1 24984798 PIPBAVNWUPNGRH-AWEZNQCLSA-N 423.969 5.773 0 40 HKAB CCOc1ccc(-c2nonc2NC(=O)c2oc3cc(C)cc(C)c3c2C)cc1C 28286939 RLEGGCGWPIBDCX-UHFFFAOYSA-N 405.454 5.367 0 40 HKAB CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1-c1cccs1 29257730 ADAOJDWZOZNZNA-UHFFFAOYSA-N 403.920 5.022 0 40 HKAB COc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccccc3Cl)n2)cc1 32622492 MLJATFDSPUQOHL-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB CC(C)Oc1ccccc1/C=C1/CCn2c1nc1scc(-c3ccccc3)c1c2=O 33481509 VMHRFIHNOZLLAL-RGEXLXHISA-N 414.530 5.857 0 40 HKAB COc1cccc2cc(C(=O)Nc3nnc(-c4ccc(Cl)cc4Cl)o3)oc12 35589996 ZFUIBHYEXBTQDN-UHFFFAOYSA-N 404.209 5.051 0 40 HKAB Cc1ccc2nc(C)cc(C(=O)N(Cc3ccccn3)c3ccc(F)cc3F)c2c1 48265744 COSACZQGZDIAMM-UHFFFAOYSA-N 403.432 5.372 0 40 HKAB O=c1c2sccc2nc(SCc2ccccc2)n1CCc1ccc(Cl)cc1 71327646 JHFUHSVKWREGLO-UHFFFAOYSA-N 412.967 5.646 0 40 HKAB O=C(c1ccccc1)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72357601 OMRXJVAKZJLTMG-JOCHJYFZSA-N 410.439 5.669 0 40 HKAB Cc1ccc2c(-c3cc4c(CNCc5ccco5)cnc(C)c4o3)cc(=O)oc2c1C 95472747 PPYGZGIWLTVMRL-UHFFFAOYSA-N 414.461 5.409 0 40 HKAB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 97976244 FXWAFDROLPRQFL-JWMVIBKGSA-N 414.674 6.382 0 40 HKAB FC(F)Oc1cc(Cl)ccc1C1=C[C@H](c2ccc(Cl)cc2)n2ncnc2N1 102799957 CZCATTPEOLNWAI-OAHLLOKOSA-N 409.223 5.242 0 40 HKAB CSC1(SC)CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118935750 QMHDZLXXJNUWOW-WVYKEMLSSA-N 408.673 6.303 0 40 HKAB Cc1ccccc1OCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 223394999 RMTBNWYMTVMSJP-UHFFFAOYSA-N 411.954 5.750 0 40 HKAB Cc1cc(C)cc(OCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 224090172 WNSPJZIKNLZJTK-UHFFFAOYSA-N 421.562 5.283 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccccc1C(C)C 224231680 FQXBJGOQCGJZGC-UHFFFAOYSA-N 419.521 5.967 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1 224529766 VYJQIXPOPFVZSP-UHFFFAOYSA-N 423.940 5.865 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1ccc(Cl)c(C)c1 224542232 UZKHNPOAVZJXFA-UHFFFAOYSA-N 423.940 6.441 0 40 HKAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@@H](CC(C)C)c1ccccc1 224550211 MMBFDDAEDFOZOI-HBVBNRCBSA-N 416.521 5.263 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2F)cc1COc1cccc2ccccc12 224630408 QOYLGMKHYGEHRH-UHFFFAOYSA-N 415.464 6.209 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 224974405 YXAIGGQMBRESDT-LJQANCHMSA-N 408.542 5.151 0 40 HKAB CCOc1ccc(NC(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)cc1 225338989 HBZCGXWYJFESBX-UHFFFAOYSA-N 415.518 5.452 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)c4ccccc34)CCOCC2)c1 225772915 JOXCNKFREDVNSR-UHFFFAOYSA-N 403.522 5.622 0 40 HKAB Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3ccc(-c4ccccc4)cc3)oc12 226286277 TYMNTTHZNSDRIA-UHFFFAOYSA-N 416.480 6.631 0 40 HKAB COc1cc(N)cc(Br)c1NC(=O)c1cccc2c(Cl)cccc12 227146541 GZKWJZQEWNMZNS-UHFFFAOYSA-N 405.679 5.099 0 40 HKAB CC(C)CCC[C@H](C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]32)C1 245239618 LDPPQIQFKNQQLH-ACNWSCOFSA-N 416.646 6.453 0 40 HKAB C[C@@H]1[C@@H](n2ccc3c(cnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)CCC[C@H]1C 253571562 PCXLVNOTVFFPJE-SIFCLUCFSA-N 406.917 5.362 0 40 HKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(Cl)c2)C1 257247906 JBCJBANUDVWRNG-VWPQPMDRSA-N 406.353 6.117 0 40 HKAB S=C(NCc1ccccc1)c1ccc(OCc2c(Cl)cccc2Cl)cc1 408574732 MMMAHPRMBKFZQP-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB O=C(Nc1ccc(F)cc1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 408694596 KTDFNZBQNMDQPZ-UHFFFAOYSA-N 410.811 5.118 0 40 HKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)ccc3C)ccc2C)c1 409380324 CMJYYWWKLWXXMM-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1C[C@@H](C(C)C)O[C@H]2C(C)C 524735023 ZLLLZZNKVKHPTF-YOEHRIQHSA-N 421.584 5.533 0 40 HKAB Cc1cc(Nc2nc(C)cs2)nc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2)n1 585293096 WTXMXPAIAWOUDS-TZZQJPOUSA-N 419.554 5.061 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)Nc1ccc(Oc2ccccc2)cc1 657126 YCXJPFIFKWGWRE-ISLYRVAYSA-N 409.489 5.933 0 40 HKAB CCOc1ccc2cc3c(N)c(C(=O)Nc4c(CC)cccc4CC)sc3nc2c1 891591 HJRQKKNFSWPBHL-UHFFFAOYSA-N 419.550 5.808 0 40 HKAB Cc1cc(C)n2cc(COc3ccc(-c4ccccc4)cc3Br)nc2n1 950152 WCZRFHLFISUEIQ-UHFFFAOYSA-N 408.299 5.355 0 40 HKAB Cc1ccc(C(=O)N/C(=C/c2ccccc2F)C(=O)Nc2ccc(Cl)cc2)cc1 1446701 AYTILEHTPROPNM-KGENOOAVSA-N 408.860 5.197 0 40 HKAB O=C(NCSc1nc2ccccc2s1)NCSc1nc2ccccc2s1 1680415 WYHIYIVTCWNVCW-UHFFFAOYSA-N 418.594 5.005 0 40 HKAB O=C(Oc1ccc(I)cc1)N(c1ccccc1)c1ccccc1 1803588 VEEUFJZKSNUTOD-UHFFFAOYSA-N 415.230 5.628 0 40 HKAB Cc1ccc2c(c1)-c1c(sn(-c3ccc(Cl)c(Cl)c3)c1=S)C(C)(C)N2C 2063128 FPFPCHZDBYFCFV-UHFFFAOYSA-N 421.418 7.235 0 40 HKAB CCCCCCc1c(C)c2ccc(O[C@@H](C)C(=O)c3ccccc3)c(C)c2oc1=O 2119172 OWDFCCXBJJHINM-IBGZPJMESA-N 406.522 6.183 0 40 HKAB biogenic CN(Cc1ccccc1)Cn1nc(-c2ccncc2)n(-c2ccc(Cl)cc2)c1=S 2655469 SZWBMYOHUKMTHH-UHFFFAOYSA-N 421.957 5.208 0 40 HKAB O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1c(Cl)cccc1Cl 2655825 NLCOZNVASQLMFF-UHFFFAOYSA-N 416.260 5.581 0 40 HKAB Cc1ccccc1CS(=O)(=O)c1cn(Cc2ccccc2Cl)c2ccccc12 2722311 KTDNYWCBHCVQTD-UHFFFAOYSA-N 409.938 5.625 0 40 HKAB O=C(CSc1nc2cc(Cl)ccc2s1)NC(c1ccccc1)c1ccccc1 3220970 SRWMPQPUSOJSBU-UHFFFAOYSA-N 424.978 5.948 0 40 HKAB COc1ccc(C(=O)N(c2ccc(F)cc2)c2nc3ccccc3s2)c(OC)c1 3306552 WIMZTDLDWZYFRQ-UHFFFAOYSA-N 408.454 5.431 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)N(C)Cc4cccs4)cc3)sc2c1 3353392 BQUVOFPROLAGHZ-MRXNPFEDSA-N 421.591 5.792 0 40 HKAB CCCCCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OCC)cc1 3658772 MABAQSSQNPPUQZ-UHFFFAOYSA-N 417.578 6.769 0 40 HKAB COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)CCc3ccccc3)nc12 4273304 VHQCEBXFJWXMHF-UHFFFAOYSA-N 417.534 5.174 0 40 HKAB CSc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc(Cl)cc2)cc1 4733491 TXFYJSVPURVGKG-UHFFFAOYSA-N 400.334 6.774 0 40 HKAB O=c1nc(SCc2cccc3ccccc23)c2c(n1Cc1ccncc1)CCCC2 5264395 XUZPITQRFXXFMA-UHFFFAOYSA-N 413.546 5.011 0 40 HKAB CC(C)OC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CC[C@H](C)C2 5529412 TUZAPTKWDJZMBJ-HNNXBMFYSA-N 413.583 5.988 0 40 HKAB Cc1ccc(Oc2cc(Sc3ccc(Cl)cc3)nc(-c3ccccc3)n2)cc1 5541812 BTSQXAMMUMTVDR-UHFFFAOYSA-N 404.922 7.049 0 40 HKAB CN1/C(=C\[P@](O)(=Nc2ccc(F)cc2)c2ccccc2)C(C)(C)c2ccccc21 5569346 HNMNOSZDBVYWHN-FOWOMRNCSA-N 406.441 6.160 0 40 HKAB COc1ccc(C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)cc1 5670400 MAEVEGQVHKULCU-GRBFSBSASA-N 422.528 6.132 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(Cl)cc1)c1ccccc1 5782568 UKLISEZMTLSXMK-OAQYLSRUSA-N 409.869 5.194 0 40 HKAB CCCCOc1ccc(C2=NN=C(c3ccc(C)cc3)Nc3ccc(F)cc32)cc1 5894960 KVUBMMXZIZJEQV-UHFFFAOYSA-N 401.485 5.938 0 40 HKAB Cc1ccc(Cn2ccc(-c3ccc(OCc4c(F)cccc4Cl)cc3)n2)cc1 6212142 SXBLREXKLXBDQC-UHFFFAOYSA-N 406.888 6.278 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)cc1OC 6334058 OUEDSLCKJUURDT-UHFFFAOYSA-N 408.401 5.098 0 40 HKAB CCCCC(=O)Nc1ccc(NC(=O)COc2ccc([C@H](C)CC)cc2)cc1OC 6594840 ZOXMETOVHBTIGZ-QGZVFWFLSA-N 412.530 5.355 0 40 HKAB COc1cc(/C=C/c2nc3cc(C)c(C)cc3s2)ccc1OCc1ccccc1 6904033 MPTBAYMGUDHYHF-ZRDIBKRKSA-N 401.531 6.671 0 40 HKAB O=C(NC[C@@H]1CCCO1)c1oc2ccccc2c1CSc1ccc(Cl)cc1 7986779 JOOWGCNJOZSMOW-HNNXBMFYSA-N 401.915 5.287 0 40 HKAB COc1ccc(-c2c(-c3ccc(OCc4ccccc4)cc3O)n[nH]c2C)cc1OC 8742470 UHCCSNVBFMMPLU-UHFFFAOYSA-N 416.477 5.354 0 40 HKAB Cc1ccc([C@@H]2c3c(-c4ccc(C)cc4O)n[nH]c3C(=O)N2CCc2ccccc2)cc1 8845748 KPISOSJJJZONSM-AREMUKBSSA-N 423.516 5.187 0 40 HKAB O=C(NCCSc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12)C1CCCCC1 8924345 SNKQKNRBTYZKIG-UHFFFAOYSA-N 412.986 6.277 0 40 HKAB Cc1cccc(C)c1NC(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12 8924545 ZGRZDJWCCIMJGB-UHFFFAOYSA-N 424.500 5.623 0 40 HKAB C[C@@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)c1cccc(Cl)c1 8965952 MBEHDXNDXNRHAN-SNVBAGLBSA-N 423.719 5.516 0 40 HKAB CC(C)(C)C(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12 9499795 XTSZOIDZYYSAPL-UHFFFAOYSA-N 416.304 5.981 0 40 HKAB COc1ccc(Br)cc1-c1nc(COC(=O)c2cc(C)oc2C)cs1 9704441 STIXXGJKUCIMCV-UHFFFAOYSA-N 422.300 5.148 0 40 HKAB CCOc1cc([C@@H]2CC(=O)Nc3ccsc32)ccc1OCc1ccc(Cl)cc1 12411598 HFBVKNNIFCLXQE-KRWDZBQOSA-N 413.926 5.853 0 40 HKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2OC)cc1 12759593 VCWAQMPYKGOQPP-UHFFFAOYSA-N 400.478 5.423 0 40 HKAB CN(C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)c1nc2ccccc2s1 12806573 YMWARZMOTQIHJN-FQEVSTJZSA-N 414.486 5.027 0 40 HKAB Cc1csc(NC(=O)c2cc3c(C)nn(-c4cccc(C(F)(F)F)c4)c3s2)n1 13014544 PXVWXMUFKQJMBK-UHFFFAOYSA-N 422.457 5.431 0 40 HKAB C[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 13670352 WHOXGHIYGSGJCO-LJQANCHMSA-N 403.591 6.767 0 40 HKAB Cc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1F 16047495 PGORXNVGTKLMGR-UHFFFAOYSA-N 418.881 5.069 0 40 HKAB CCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1 16751172 RXIVCVWSPOPXEA-JOCHJYFZSA-N 405.494 5.317 0 40 HKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 17083073 KNCFHLPASZZHBX-UHFFFAOYSA-N 404.897 6.185 0 40 HKAB O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccccc1F 17093726 RNKBCANUYSBKOD-UHFFFAOYSA-N 423.919 5.054 0 40 HKAB COc1ccc2oc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2c1 19929044 FFSMEOAMCALXGM-UHFFFAOYSA-N 413.227 5.111 0 40 HKAB CC[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(OC)cc1 20045499 ARFMXZOJVHLCHD-QHCPKHFHSA-N 409.913 5.809 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 22533141 XDMOLGKYCSOXRF-UHFFFAOYSA-N 414.505 5.068 0 40 HKAB CCOc1ccc(-c2nc(CN3CCC[C@@H]3c3cccc(OC)c3)cs2)cc1OC 23078278 BITXXQUXSGEFPI-OAQYLSRUSA-N 424.566 5.563 0 40 HKAB CCN(CC)c1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 31914762 BOTBAPZEWZEHOW-UHFFFAOYSA-N 420.410 5.129 0 40 HKAB CCSCn1nnc(-c2ccc(F)cc2)c1C(=O)Nc1cccc(Cl)c1C 32611806 GZBXRFMCELAECW-UHFFFAOYSA-N 404.898 5.009 0 40 HKAB CCc1nnsc1N(Cc1cccc(Cl)c1)c1ccc(Br)cc1 32611842 CDEVUVZJXQFEJL-UHFFFAOYSA-N 408.752 5.855 0 40 HKAB COc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1Cl 33700646 IUDNPWFVJAEMIL-UHFFFAOYSA-N 414.864 5.117 0 40 HKAB Fc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1 35425502 BSFJENRWMMYKEU-NRFANRHFSA-N 422.504 5.319 0 40 HKAB biogenic,in-vitro COc1ccccc1Nc1c(-c2ccc(OC)c(OC)c2)nc2ccc(Cl)cn12 35616002 JTEGYVQIKFUEHB-UHFFFAOYSA-N 409.873 5.424 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@H](c4ccccc4Cl)Oc4ccc(Cl)cc4[C@H]3C2)c1 36350569 WSAXZBBOYVZCQJ-VWNXMTODSA-N 423.343 6.853 0 40 HKAB CCN(C(=O)Cc1ccc(NC(=O)c2ccccc2OC(F)F)cc1)c1ccccc1 40150716 JFABEZSFTCOQNO-UHFFFAOYSA-N 424.447 5.136 0 40 HKAB COc1ccc(C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2F)cc1 40485740 IYACLPZPRVUCEA-JOCHJYFZSA-N 423.871 5.541 0 40 HKAB CC(C)CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1 41076961 HHFXUOBNOMZSKP-UHFFFAOYSA-N 401.869 5.011 0 40 HKAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1cc(Cl)cc(Cl)c1 59795260 IMPONONZLXLEIS-UHFFFAOYSA-N 413.717 5.163 0 40 HKAB O=C(Cc1csc(-c2ccc(Cl)cc2Cl)n1)OCc1nc2ccccc2o1 64179845 YWRSAXOBZONXOZ-UHFFFAOYSA-N 419.289 5.544 0 40 HKAB CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCCN2C(=O)c2ccccc2)n1 72390731 DCSLUWJXQJLUJR-FQEVSTJZSA-N 404.514 5.068 0 40 HKAB Nc1c(Cl)cc(NC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)cc1Cl 84603602 CXPQRPCSJBCJME-LLVKDONJSA-N 421.353 5.040 0 40 HKAB CCSc1ccccc1C(=O)NCc1sc(-c2ccccc2Cl)nc1C 90593204 UPOTWMPKVXWVFF-UHFFFAOYSA-N 402.972 5.814 0 40 HKAB Cc1sc2nc(-c3ccc(Cl)nc3)[nH]c(=O)c2c1-c1ccc(Cl)cc1Cl 97881697 OEHZMEJBBWPOBD-UHFFFAOYSA-N 422.724 5.982 0 40 HKAB COc1ccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1OC 101218852 AAKYOPXWNBSLNR-TZIWHRDSSA-N 403.457 5.339 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccccc1)[C@H](O)c1ccc(F)cc1 102134213 YVTJBQMCEPLZNF-BEVHOJJKSA-N 404.462 5.898 0 40 HKAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)C1C[C@H]2CCC[C@H](C1)C2=O 102833771 YPWMAJREMJDBOQ-GHMZBOCLSA-N 409.338 5.451 0 40 HKAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccccc1C(C)C 107804997 XZMISIWAGDAUCM-UHFFFAOYSA-N 424.570 5.040 0 40 HKAB Cc1cc(C)c(C)c(OCC(=O)NCCSCc2c(Cl)cccc2Cl)c1 218965718 ZSQINCJHCWRBQU-UHFFFAOYSA-N 412.382 5.347 0 40 HKAB C[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc2c(c1)CCCC2 222907989 TVNWLSIGTXNYIW-CQSZACIVSA-N 408.394 5.983 0 40 HKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)cc1C 222934185 DGNKZAOYKOVDIA-GOTSBHOMSA-N 404.583 5.118 0 40 HKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 222980503 VMIYLJBYZMOUFY-NHCUHLMSSA-N 409.580 5.598 0 40 HKAB CC(C)(C)CC(C)(C)NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 223954061 KMOLGBFMYIFQJK-UHFFFAOYSA-N 422.978 5.085 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1cccc(C)c1 224381423 DRVFICAUHGGBRK-UHFFFAOYSA-N 409.913 5.556 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)N[C@@H](C)CC)cc1 225519612 VGWPSKWBWMQMOG-OFVILXPXSA-N 422.613 5.212 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc12 225770386 DNMGGTYQWZWBSJ-UHFFFAOYSA-N 403.522 5.562 0 40 HKAB CC(C)c1ccc(NC(=O)CCc2nc(-c3ccc(Br)cc3)no2)cc1 225818656 JVZVPAXFHXLONI-UHFFFAOYSA-N 414.303 5.194 0 40 HKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3cc(Cl)ccc3Cl)n2)cc1 225835932 QUUVVWVVDKWDJZ-UHFFFAOYSA-N 404.297 5.738 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCc3ccccc3F)c2)cc1 225835950 LNXVDBNYCPNFED-UHFFFAOYSA-N 420.553 5.841 0 40 HKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3c(Cl)cccc3Cl)n2)cc1 225835956 ZHMOUIUZAOFTFG-UHFFFAOYSA-N 404.297 5.738 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(Cl)cc1)[C@@H]2O 245391862 FDGCFEWJEHAVJT-VWZRJUBTSA-N 413.001 6.018 0 40 HKAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CC[C@H](CNC(=O)CCC3CCCC3)CC2)n1 257215961 CSKZTSXSHGEGPW-MEMLXQNLSA-N 424.589 5.417 0 40 HKAB CC(C)(C)c1ccc2c(c1)[C@@H]1O[C@H](CCc3ccccc3)[C@H](C(=O)O)C[C@H]1C(C)(C)O2 257218656 DDZSSDXWNXAKMD-AZKZNFPZSA-N 422.565 5.935 0 40 HKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cc(F)c(F)cc2F)C1 257265919 MAWSXKKUALBIQA-VWPQPMDRSA-N 409.423 5.367 0 40 HKAB CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)o2)cc1 260759250 FJZZEVPHVHNTLL-KBJGYGKASA-N 405.523 5.330 0 40 HKAB O=C(CSc1cccc2ccccc12)N1c2ccccc2S[C@H]2C=CC=C[C@H]21 408543854 RYTMQLGHKWODCX-KNQAVFIVSA-N 401.556 5.934 0 40 HKAB Cc1cc(C)c(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(C)c1 408619341 BGRGVOVGFCOFQW-FNORWQNLSA-N 400.305 6.831 0 40 HKAB O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 408970251 DOIVMGNCVNEKLV-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB O=C(Nc1nccs1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408976796 GQGHVNHTJCLTHV-UHFFFAOYSA-N 420.544 5.796 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)o2)cc1C 409154982 PQDRKVOFLAQHIC-UHFFFAOYSA-N 411.527 5.120 0 40 HKAB O=C1S/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 409192055 UAQWKHNVFQBUQU-LDADJPATSA-N 415.301 6.025 0 40 HKAB O=C(O)c1ccc(-c2ccccc2OCc2ccccc2)cc1CCc1ccccc1 2037873721 WLLHUWVGZQZPDU-UHFFFAOYSA-N 408.497 6.416 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)c1 919480 JNTLIYWVNRAPOU-RHSMWYFYSA-N 404.392 5.006 0 40 HKAB COc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)SCc2ccco2)cc1OC 945404 VYGBWSQSCQKLTI-QFIPXVFZSA-N 416.926 6.198 0 40 HKAB CCOC(=O)c1sc2ncnc(Nc3ccc(N4CCC(C)CC4)cc3)c2c1C 957763 XPPOJLCRCHHNFI-UHFFFAOYSA-N 410.543 5.156 0 40 HKAB O=S(=O)(c1ccccc1)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 1397407 STYZCWBMZANDJF-UHFFFAOYSA-N 417.861 5.239 0 40 HKAB O=C(Nc1cccc(Cl)c1)Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1 2266151 FPJMEIAPGVTZMV-UHFFFAOYSA-N 413.717 5.733 0 40 HKAB CC(=O)N(CC[C@H](c1ccc(F)cc1)c1ccc(OC(C)C)cc1)Cc1ccco1 2446430 RHCUHWFSMLMAPY-RUZDIDTESA-N 409.501 5.777 0 40 HKAB COc1ccc(C)c(-n2c(=S)[nH]c3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)c1 2635304 CKROMFPMQCXZIS-CYBMUJFWSA-N 414.596 5.578 0 40 HKAB Cc1ccccc1-c1nsc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n1 2917607 AVYHLOWWJHPFOO-UHFFFAOYSA-N 409.458 5.263 0 40 HKAB Clc1cccc(COn2c(-c3ccc(Cl)cc3Cl)nc3ncccc32)c1 3063452 WJBVCLXIBASERR-UHFFFAOYSA-N 404.684 5.687 0 40 HKAB c1cc2ccc1CCc1ccc(cc1)C1C2C2c3ccc(cc3)CCc3ccc(cc3)C12 3137241 WXDMQYNEIVKAII-UHFFFAOYSA-N 412.576 7.332 0 40 HKAB CC[C@H](C(=O)OCC(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1 3230142 XWNCOLGHAKEYMO-FQEVSTJZSA-N 405.519 5.513 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2ccc(Cl)cc2N)c2ccccc2)c1 3310113 HUFKMXJDSRRWBZ-NRFANRHFSA-N 408.885 5.076 0 40 HKAB CCCn1c(NC(=O)c2oc3ccc(Br)cc3c2C)nc2ccccc21 3380483 FFWMDCXWJKNORY-UHFFFAOYSA-N 412.287 5.516 0 40 HKAB COc1ccccc1NC(=O)c1ccccc1NC(=O)c1ccccc1C(F)(F)F 3451050 QCFAFMYQDKCRPQ-UHFFFAOYSA-N 414.383 5.219 0 40 HKAB CC(=O)[C@@H](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(c1ccccc1)c1ccccc1 3846274 PBSTWIYTCPQRBP-NTMFSWBNSA-N 406.566 6.028 0 40 HKAB CCN(CC)C(=O)c1sc2nc(-c3cccs3)cc(-c3cccs3)c2c1N 4083084 FEQAQKXPWHKXDV-UHFFFAOYSA-N 413.593 5.818 0 40 HKAB Cc1cccc(CSc2nnc(NC(=O)CSCc3ccccc3)s2)c1 4087819 XVEWYVXENMDTNR-UHFFFAOYSA-N 401.582 5.011 0 40 HKAB CC(C)C(=O)n1nc(NCc2ccccc2Cl)nc1NCc1ccccc1Cl 4704916 VAHZVYRTRCHUGN-UHFFFAOYSA-N 418.328 5.105 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2[C@H](C)C(=O)O)cc1 4782807 ZBAJNPCKUSKXJT-VOIUYBSRSA-N 410.473 5.162 0 40 HKAB Cc1cccc(-n2c(SCC(=O)c3ccccc3F)nc3ccccc3c2=O)c1C 4929818 APZKIAGABHXQLK-UHFFFAOYSA-N 418.493 5.117 0 40 HKAB Clc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 4959634 BGFGMAGSIMWBTP-UHFFFAOYSA-N 412.345 6.533 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(Cc1ccco1)C3=O 5164255 KGAXAIYACQXVNW-FQEVSTJZSA-N 405.837 5.093 0 40 HKAB OCCn1c(CSc2nc(-c3ccccc3)cs2)nc2ccc(Cl)cc21 5882752 LCHDHRXPZCAKQI-UHFFFAOYSA-N 401.944 5.098 0 40 HKAB Cc1cc(C)c2nc(SCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)cc(C)c2c1 5895855 JBVZQIRXDAEIGK-DKERFCRFSA-N 422.638 5.973 0 40 HKAB O=C(CSC1=Nc2ccccc2[C@H]2CC=NN12)Nc1cccc(Cl)c1Cl 5938905 ZSXRCVOXUYNGCP-OAHLLOKOSA-N 405.310 5.099 0 40 HKAB Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCCCC3)c(C)n1Cc1ccco1 5966206 YXKMQOMVZPCTJD-UHFFFAOYSA-N 411.523 5.116 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1 6395265 SZKUYTMBLGOUSF-KRWDZBQOSA-N 413.521 6.069 0 40 HKAB COc1cc2sc(NC(=O)c3cccc4c(Cl)cccc34)nc2cc1Cl 6441342 MLJHSYGHVMYQGO-UHFFFAOYSA-N 403.290 6.017 0 40 HKAB CCCN[C@H](C(=O)Nc1scc(-c2ccccc2)c1C(=O)OCC)c1ccccc1 6509332 YJCWXWZNOKKDKR-NRFANRHFSA-N 422.550 5.271 0 40 HKAB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 7112690 DHXFVVQJIAHYOY-JOCHJYFZSA-N 418.884 5.194 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1 7451198 FRFAOMQKGORHDL-UHFFFAOYSA-N 418.562 5.891 0 40 HKAB CCc1ccc(/C=C2/SC(Nc3cc(C(F)(F)F)ccc3Cl)=NC2=O)cc1 8337796 UUSJFFWPRJUYSK-CXUHLZMHSA-N 410.848 6.004 0 40 HKAB Cc1cccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2cccc(Cl)c2)c1C 8476607 NHSQIMJCGHYCSQ-UHFFFAOYSA-N 408.933 5.267 0 40 HKAB Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2cccc(Cl)c2)c1 8664945 QEMMJMNSQQJUTP-NRFANRHFSA-N 416.864 5.208 0 40 HKAB O=C(Nc1ccc(F)cc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 8671981 OILXMQDCLHYXBN-UHFFFAOYSA-N 422.428 6.435 0 40 HKAB C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1)c1ccc(F)cc1 8723990 XQPJPMYMXSPCSQ-CXAGYDPISA-N 418.921 5.221 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)CN1c1ccc(F)cc1 8756001 VPNJIUBPQQROMW-QGZVFWFLSA-N 419.887 5.398 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1c1cccc(Cl)c1 8871272 ITBROMLWOKYJPS-KRWDZBQOSA-N 419.887 5.398 0 40 HKAB Clc1ccc(-c2csc(-n3nccc3-c3ccc(Cl)cc3Cl)n2)cc1 8925690 KKVCRXLIVKSRNB-UHFFFAOYSA-N 406.725 6.623 0 40 HKAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2cc3ccccc3nc2Cl)n1 8984442 QRGFIDCOQLLWEQ-UHFFFAOYSA-N 417.321 5.628 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(C(=O)c4ccc(Cl)cc4)c(C)c3c2)cc1 9659880 UVPGGKVFSZQOOV-UHFFFAOYSA-N 419.864 5.887 0 40 HKAB biogenic COc1cccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(Cl)cc4)oc3c2)c1 9659932 XXDWYXNFDGJPMA-UHFFFAOYSA-N 419.864 5.887 0 40 HKAB biogenic CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccco1 9833495 NOSYWGHCFCAPCC-IBGZPJMESA-N 422.485 5.169 0 40 HKAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(CN2CCCC2)cc1 10434090 WSHGLUJQMRUHQX-UHFFFAOYSA-N 423.409 5.252 0 40 HKAB CCCCc1noc([C@H](C)Sc2nnc(-c3ccoc3C)n2-c2ccccc2)n1 12527644 FTQYRYITJYCJTH-HNNXBMFYSA-N 409.515 5.415 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 12564974 VEPPNCHXZZMADP-UHFFFAOYSA-N 423.541 6.508 0 40 HKAB Fc1ccc(-c2cnc(CSc3nnc(C4CC4)n3Cc3ccccc3)o2)cc1 12623340 RONRFBAQDQTSNZ-UHFFFAOYSA-N 406.486 5.290 0 40 HKAB Clc1ccc(/C=C2\CCc3cnn(-c4ccc(Cl)c(Cl)c4)c32)c(Cl)c1 12658822 BNSMLQKSLBAVEZ-KPKJPENVSA-N 410.131 6.973 0 40 HKAB Cc1ccc2cc3c(nc2c1C)OCCN(CCC(c1ccccc1)c1ccccc1)C3 13563805 CQGLZWCODVEIJB-UHFFFAOYSA-N 422.572 6.268 0 40 HKAB CC1(C)C[C@@]2(CCO1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 13617922 NXBFSSGECZATPP-DENIHFKCSA-N 417.336 5.822 0 40 HKAB CCc1cccc2c(/C=C3/SC(=O)N(Cc4c(F)cccc4Cl)C3=O)c[nH]c12 15009195 HKOQINKGJOTPIL-GIJQJNRQSA-N 414.889 5.759 0 40 HKAB Cc1ccc(OCC(=O)Nc2cc(-c3cccc(Cl)c3)nn2-c2ccccc2)cc1 15821223 HXMMIRGWWQBUNM-UHFFFAOYSA-N 417.896 5.519 0 40 HKAB Cc1ccc(OCc2nc(C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)cs2)cc1 16160421 CGMKJYZTOZGKRG-AWEZNQCLSA-N 415.898 5.112 0 40 HKAB O=C(C[C@H](c1ccccc1)c1cccc2ccccc12)c1ccc(Br)cc1 16971018 DZSMNBIDMCHTGR-XMMPIXPASA-N 415.330 7.007 0 40 HKAB CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 17087843 SDSWIDAVCPRCKC-UHFFFAOYSA-N 408.310 5.271 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(Br)cc4)ccc3o2)c1 17092587 NUADVZOGMCLGAV-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB CCc1ccc2nc(NC(=O)C34C[C@@H]5C[C@@H](CC(Br)(C5)C3)C4)sc2c1 18272243 RQLCIMMKMSMQNN-LWYUSKRHSA-N 419.388 5.531 0 40 HKAB Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@@H]2CCCN2Cc2ccnn2C)n1 19691984 SGNQONKIVVCZBX-QFIPXVFZSA-N 414.475 5.070 0 40 HKAB C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC(c2nc3ccccc3s2)CC1 20897303 NIZQWDBGNIPSDF-CQSZACIVSA-N 400.931 5.123 0 40 HKAB Cc1noc(C(C)C)c1C(=O)Nc1ncc(Cc2ccccc2Br)s1 24834838 LPWOCYYJABBSEL-UHFFFAOYSA-N 420.332 5.169 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c1 27661952 GGRUXDTWIGOMFS-JOCHJYFZSA-N 414.977 5.104 0 40 HKAB COc1ccc(C(=O)C[C@@H](Nc2ccc(Cl)cc2)c2ccc(SC)cc2)cc1 27830228 WYRMOKAOFWZFQS-JOCHJYFZSA-N 411.954 6.497 0 40 HKAB O=C(Nc1ccc(OC(F)F)cc1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 29509844 IIFLMOUCVNSAAY-UHFFFAOYSA-N 424.378 6.001 0 40 HKAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1SCc1cscn1 29518397 LMIJLVQGHBXIBM-UHFFFAOYSA-N 408.470 5.384 0 40 HKAB O=C(NCc1ccc(-c2nc3cnccc3o2)cc1)c1ccc(-c2ccccc2)cc1 32105075 HALRMNQYRSNJAM-UHFFFAOYSA-N 405.457 5.487 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5ncccc5o4)ccc3C)o2)cc1C 33380354 YOZGUDUGVANHRY-UHFFFAOYSA-N 423.472 6.327 0 40 HKAB CCOc1c(Br)cc(Br)cc1CNc1ccc(CC)cc1 37212952 FHRQAFIQHFQFRK-UHFFFAOYSA-N 413.153 5.785 0 40 HKAB Fc1ccc(-c2csc3ncnc(NCc4ccc(Cn5ccnc5)cc4)c23)cc1 40020030 GVNXXNUWQWRPNV-UHFFFAOYSA-N 415.497 5.354 0 40 HKAB Cc1ccc(Sc2ncccc2C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 40159971 REUKAPQEYDJQRH-UHFFFAOYSA-N 402.441 6.121 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)c(Br)c1 44885218 UQFMELJZPZANHU-IBGZPJMESA-N 416.359 5.319 0 40 HKAB O=C(NCCCc1ccccc1Cl)c1ccc(CN2CCc3ccccc3C2)cc1 44906296 PNUHWCTVBXMHRQ-UHFFFAOYSA-N 418.968 5.261 0 40 HKAB CCSc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 44938624 QNVCEGCIHBQYBK-UHFFFAOYSA-N 423.409 5.956 0 40 HKAB COc1ccc(Nc2c(C(=O)N3CCC[C@@H](C)C3)cnc3nc(C)ccc23)cc1Cl 49005354 DQVYTSXLJDHLPW-CQSZACIVSA-N 424.932 5.216 0 40 HKAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(Cc1c(F)cccc1Cl)CO2 57140925 ADZGCMXWLNRMPZ-UHFFFAOYSA-N 413.876 5.125 0 40 HKAB COc1ccc(CN(C)C(=O)Nc2cccc(CSc3ccccn3)c2)cc1F 58341242 HVSBPQIBSNPQKA-UHFFFAOYSA-N 411.502 5.186 0 40 HKAB CCCCc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 59210989 QCNKDQZRCUWRDI-UHFFFAOYSA-N 418.375 6.107 0 40 HKAB O=C(Nc1ccc(NCc2ccccc2)c(Cl)c1)c1nc(Cl)ccc1Cl 72047120 LVPLAMNNGXJGBZ-UHFFFAOYSA-N 406.700 5.906 0 40 HKAB CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccccc3n2C)C[C@H]1C(C)C 72320876 UMNZEXQWGGNIOP-FKBYEOEOSA-N 409.618 5.523 0 40 HKAB biogenic,in-vitro CCN(CCC1CCN(C(=O)Nc2ccc(-c3nccs3)cc2)CC1)CC(C)C 95459670 ARERIIHRKBMZFD-UHFFFAOYSA-N 414.619 5.422 0 40 HKAB Cc1cc(C)n(-c2ccc(C(=O)N3[C@@H]4CC[C@@H]3CC(c3ccc(F)cc3)C4)cc2)n1 100166785 FPSAZKJBKHOTQZ-DNQXCXABSA-N 403.501 5.179 0 40 HKAB CC(C)(C)C(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=O)N(c1ccccc1)c1ccccc1 100426720 FDAGOPCFVOZGMV-DHIUTWEWSA-N 419.569 5.493 0 40 HKAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CC[C@H](CNC(=O)CCC3CCCC3)CC2)n1 100743988 CSKZTSXSHGEGPW-OYRHEFFESA-N 424.589 5.417 0 40 HKAB CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@H]4C3=O)c2)cc1 102800633 WSCOKSJXHBGGDM-SZPZYZBQSA-N 419.521 5.273 0 40 HKAB COc1cc(CNc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 107041601 PCQHUKYAJOELAW-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CN2 136695995 XYNPYHXGMWJBLV-UQHLGXRBSA-N 415.662 5.367 0 40 HKAB biogenic,in-vitro Cn1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c2ccccc21 215109780 JMZYZVHUMVXTQM-QGMBQPNBSA-N 400.862 5.207 0 40 HKAB CC[C@@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(OC)c(C)c1 223095243 CXFSELBBKTWDAL-JOCHJYFZSA-N 414.977 5.137 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc(Cl)cc1F 223116023 MTSQYTDKLUCKDF-SFHVURJKSA-N 407.938 5.439 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1cc(C)cc(C)c1C 224275858 YUTSXWAWPZXLTC-UHFFFAOYSA-N 403.522 6.069 0 40 HKAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1cccc2ccccc12 224885051 XBLFRDZCZHBHPH-UHFFFAOYSA-N 421.294 5.829 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)NC(c2ccccc2)c2ccccc2)c1 225519327 LQWXOJVRCXXMIP-UHFFFAOYSA-N 410.926 5.203 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)cc1Cl 225765840 IQRXGKGEXGJASQ-HXUWFJFHSA-N 418.990 5.817 0 40 HKAB CCOC(=O)c1cc(-c2ccc3ccccc3c2)nc2ccc(Br)cc12 226360415 ZOZQSTCQHWLABH-UHFFFAOYSA-N 406.279 5.994 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccsc2)cc1 248256315 SSWOYWYZAORXFQ-REWPJTCUSA-N 406.507 5.398 0 40 HKAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@H]5CCCCO5)CC[C@]4(C)[C@@H]3CC[C@]12C 253500784 JNLBJTOWMWKEJV-WFUXQISFSA-N 418.618 5.873 0 40 HKAB C[C@@H]1O[C@@H]2c3cc(CC(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccccc1Cl 257286666 PMLYEDCEXPLLIH-ODJOKMJGSA-N 400.902 5.388 0 40 HKAB Cc1ccc(CNC(=S)c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 408572417 GXBMBELPYXXZAP-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB CCOc1cc(/C=C/C(=O)Nc2ccc(Oc3cccc(Cl)c3)cc2)ccc1OC 408600315 BKZTVNUTDQIKIS-RIYZIHGNSA-N 423.896 6.192 0 40 HKAB CCc1cccc(C)c1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408622731 RFBSOZFJJXIPMN-FMIVXFBMSA-N 400.305 6.776 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408646194 VTENZPGPOBNRLD-SNVBAGLBSA-N 417.214 5.004 0 40 HKAB COc1ccc(NC(=O)c2ccccc2C(=O)N(c2ccccc2)c2ccccc2)cc1 408674403 ZULGCLFMFUSTOS-UHFFFAOYSA-N 422.484 5.926 0 40 HKAB C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1 409063439 KUAXGMZYUBBOAQ-HXUWFJFHSA-N 412.533 5.083 0 40 HKAB Cc1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1C1CCCC1 409126516 BUGSGNJPEUARHF-JWGURIENSA-N 408.567 5.889 0 40 HKAB Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccc4ccccc4c3)cc2)c1 409179295 QMNCYOISYXNWAD-UHFFFAOYSA-N 410.469 5.767 0 40 HKAB CC(C)=CCC[C@@]12[C@@H](O)CC[C@@H](C)[C@]1(C)CC[C@](C)(O)[C@H]2Cc1c[nH]c2ccccc12 1772591103 GFSPEIJDKJGERO-MDZHRRQISA-N 423.641 6.401 0 40 HKAB CN(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3n2)cc1 990019 YUNKNERXNCYEOM-UHFFFAOYSA-N 413.525 5.036 0 40 HKAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1Br 1003951 YJPPVZZZWQMWNB-UHFFFAOYSA-N 415.331 5.072 0 40 HKAB Cc1ccc(S(=O)(=O)N2C=Cc3ccccc3[C@H]2c2c[nH]c3ccccc23)c(C)c1 1066433 OLLDLNACYLCABB-VWLOTQADSA-N 414.530 5.549 0 40 HKAB O=C(CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)Nc1ccccc1F 1332750 RPBJMGIOTINAPN-UHFFFAOYSA-N 413.543 5.317 0 40 HKAB Clc1ccc(OCc2nn3cc(-c4ccccc4)c4c3n2CCCC4)c(Cl)c1 1811975 CRGXKDGERNACQD-UHFFFAOYSA-N 412.320 6.025 0 40 HKAB CC[C@]1(C)Cc2c(sc3nc(SCc4ccc(Cl)cc4)nc(N)c23)CO1 2232256 UVJSLEYKNXMHIP-LJQANCHMSA-N 405.976 5.461 0 40 HKAB O=C(CCC1CCCC1)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)coc2c1 2396264 OBXYPJSHIUIYOD-UHFFFAOYSA-N 419.502 5.946 0 40 HKAB biogenic O=C(Nc1ccccc1OC(F)F)c1ccc(-c2cc3ccccc3oc2=O)cc1 2414469 YODHFBGXSIWRAO-UHFFFAOYSA-N 407.372 5.314 0 40 HKAB Clc1cccc(N2CCN(c3cccc(Cl)c3)C2C(Cl)(Cl)Cl)c1 2517011 NFQIYHPAGNZAOO-UHFFFAOYSA-N 410.559 6.016 0 40 HKAB COC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CC[C@@H](C)C2 2753281 RACQITAEECBELB-MRXNPFEDSA-N 419.546 5.430 0 40 HKAB O=C(Nc1ccccc1)n1ccc(-c2ccc(Oc3ccc(Cl)cc3)cc2Cl)n1 3041597 PUKMNLCJDWARTJ-UHFFFAOYSA-N 424.287 6.729 0 40 HKAB CCCCNc1ncnc2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c12 3236848 LJKLFXGMOXUITC-UHFFFAOYSA-N 403.482 5.786 0 40 HKAB CCN(C(=O)CSc1nnc(-c2ccccc2F)o1)c1cccc2ccccc12 3389070 BTNGHQVSLAVIRW-UHFFFAOYSA-N 407.470 5.174 0 40 HKAB CCOC(=O)CCCCCCCC[C@@H](C)c1ccc(I)cc1 3830955 LAYLQVBQIBQVLL-MRXNPFEDSA-N 416.343 6.079 0 40 HKAB world Cc1ccc(C)c(Cn2cc(SCc3c(F)cccc3Cl)c3ccccc32)c1 4059761 LTMDXLINVGHGAH-UHFFFAOYSA-N 409.957 7.391 0 40 HKAB CCOC(=O)c1ccccc1NCn1nc(-c2ccc(C(C)(C)C)cc2)oc1=S 4498745 JELFBSCVERDFPS-UHFFFAOYSA-N 411.527 5.416 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)c1cc(Br)ccc1Br 4666517 DQLKLTSUQJXETG-LLVKDONJSA-N 411.137 5.977 0 40 HKAB Cc1ccccc1-c1nnc(N(CC(C)C)C(=O)c2ccc(C(C)(C)C)cc2)s1 4982430 PGLFZJOJVLGRKZ-UHFFFAOYSA-N 407.583 6.114 0 40 HKAB O=[N+]([O-])c1cccc(C=NNc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)c1 5002826 ILNPXLYHLFIHKB-UHFFFAOYSA-N 413.412 5.304 0 40 HKAB O=C(Cn1cc(C(=O)COc2ccccc2)c2ccccc21)Nc1ccc(Cl)cc1 6080147 BJCZUVJFLLPZRM-UHFFFAOYSA-N 418.880 5.195 0 40 HKAB C=CCOc1ccccc1/C=C1/SC(Nc2ccc(Cl)c(Cl)c2)=NC1=O 6856109 SNRQRIORBMCCNW-LICLKQGHSA-N 405.306 5.641 0 40 HKAB O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1nc(-c2cc(F)ccc2F)cs1 7779765 XNTZBLNYQQPDHX-FPYGCLRLSA-N 408.376 5.342 0 40 HKAB CC(C)[C@H](NC(=O)Cc1coc2cc3c(cc12)CCC3)c1ccc2c(c1)OCCCO2 7783234 PHEOZUNVOPHXRT-SANMLTNESA-N 419.521 5.139 0 40 HKAB FC(F)(F)c1nc(N2CCC(c3nc4ccccc4s3)CC2)c2ccccc2n1 8325945 PIZVZLOKCCMJRK-UHFFFAOYSA-N 414.456 5.642 0 40 HKAB Cc1cc(OCc2n[nH]c(SCC(=O)c3cc4ccccc4o3)n2)ccc1Cl 8395098 GGXWMKFBOIVTDP-UHFFFAOYSA-N 413.886 5.067 0 40 HKAB CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CCCC[C@@H]1C 8429294 XDENPLJFWFTHMA-AWEZNQCLSA-N 420.962 5.058 0 40 HKAB O[C@]1(C(F)(F)F)CC(c2ccc(Cl)cc2)=NN1c1nc(-c2ccccc2)cs1 8711464 WVGXOXMJIKYVNY-SFHVURJKSA-N 423.847 5.329 0 40 HKAB Cn1c(SCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)nnc1C1CC1 8746057 OEROVVCCNZBOEW-UHFFFAOYSA-N 421.957 5.491 0 40 HKAB C[C@H](NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)C1C2CC3CC(C2)CC1C3 8857552 NEMGAFSQKUFJSM-YIZLWERLSA-N 422.805 5.386 0 40 HKAB CC(=O)Nc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 9233341 UYVILLSOAXKYGB-RQZCQDPDSA-N 421.305 5.188 0 40 HKAB CCOc1ccc2c(=O)c(-c3ccc(Br)cc3)c(C(F)(F)F)oc2c1 9409895 ALTZUTARDUQTSB-UHFFFAOYSA-N 413.189 5.640 0 40 HKAB biogenic O=C(c1ccccc1)c1cc(Br)ccc1NC(=O)c1c(F)cccc1F 11617346 DACMSVAUXCZPFA-UHFFFAOYSA-N 416.221 5.211 0 40 HKAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc2nnsc2c1 11692738 PEVQNLXUOYIIHK-UHFFFAOYSA-N 420.441 5.010 0 40 HKAB Cc1c(C(=O)Nc2nc(-c3ccccc3)ns2)oc2ccc(Br)cc12 11914922 LDGWHACZWDMGHE-UHFFFAOYSA-N 414.284 5.275 0 40 HKAB COC(=O)c1coc(C)c1COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 11995066 ZQPZHEIMJQUCEE-UHFFFAOYSA-N 424.836 5.380 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1c(N)c(C(=O)c2ccc(F)cc2)n2ccccc12 12342156 VZNJTIYHXKHHEK-UHFFFAOYSA-N 421.859 5.106 0 40 HKAB c1ccc(-c2nc3sccn3c2CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 12551838 IAIXWMINOGVFIM-IBGZPJMESA-N 417.534 5.171 0 40 HKAB C[C@H](N[C@@H](C)c1cccc2ccccc12)C(=O)Nc1ccc(N2CCCCC2)cc1 12578458 LXCBYNFZXANPAE-PMACEKPBSA-N 401.554 5.508 0 40 HKAB Nc1nc(COC(=O)c2c(Cl)cccc2Cl)nc2sc3c(c12)CCCCC3 12694029 GDEZLJGJCAZGQO-UHFFFAOYSA-N 422.337 5.206 0 40 HKAB Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13787297 QRSRGYUDRFUWCG-WMZHIEFXSA-N 404.853 5.311 0 40 HKAB CCc1ccc(OCc2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1 13842072 BRUCWPRRWQCGDV-UHFFFAOYSA-N 408.354 5.556 0 40 HKAB O=S(=O)(N[C@@H](Cc1ccccc1)c1ccccc1)c1c(Cl)cccc1Cl 14108451 SNESHGUZIMIGJS-IBGZPJMESA-N 406.334 5.256 0 40 HKAB CCOc1ccc(OCC)c(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c1 15602773 QOOHJIIVKIRAPP-UHFFFAOYSA-N 400.475 5.083 0 40 HKAB COc1ccc(C(=O)C[C@@H](Sc2ccc(OC)c(OC)c2)c2ccccc2)cc1 16216218 SSAZZLSHPFFXTB-XMMPIXPASA-N 408.519 5.819 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)c1 16841128 AHDNUDRHBLYQOI-UHFFFAOYSA-N 417.328 5.452 0 40 HKAB C[C@H]1C[C@@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)Cc1ccccc1 17094049 IEFDTMLPNKVZHH-RXFWQSSRSA-N 424.544 5.539 0 40 HKAB c1ccc(Cn2c(CN3CCCC3)nnc2SCc2cccc3ccccc23)cc1 25746548 SADVRTQYNPAJBA-UHFFFAOYSA-N 414.578 5.368 0 40 HKAB Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc(Cl)cc3)n2)cc1 32578815 NRLZDCSUCBCOOM-UHFFFAOYSA-N 419.868 5.530 0 40 HKAB Cc1ccc2c(c1)OCC(SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)=N2 33174757 QOQPDYJNGUKMQY-UHFFFAOYSA-N 414.836 5.462 0 40 HKAB Cc1ccc(CSc2nnc(NC(=O)c3c(C)noc3-c3ccccc3)s2)cc1 35671465 IXHPBNALOLEKGG-UHFFFAOYSA-N 422.535 5.355 0 40 HKAB CCc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2cccc(C)c2)cc1 41076827 JVFDZJMHNNECJN-UHFFFAOYSA-N 415.562 5.686 0 40 HKAB C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 44934028 AREAQPWKKBKVBK-RHSMWYFYSA-N 409.332 5.222 0 40 HKAB O=C(Cc1ccccc1)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72357755 QYJWYJYXERTHSX-QHCPKHFHSA-N 424.466 5.597 0 40 HKAB Cc1ccccc1[C@@H]1CC(c2ccsc2)=NN1C(=O)c1ccc(Br)o1 77160631 YWKIBNRPNSWOHS-INIZCTEOSA-N 415.312 5.404 0 40 HKAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 100806700 OODIMQDSLDIJAO-AJHHTPGJSA-N 404.341 5.101 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)c1 101024267 VWJPXUHZNKBLOL-NHNLOJCESA-N 423.940 5.603 0 40 HKAB CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@@H]1c1ccc(C)cc1 103870957 GFEQZSLMROSYSP-DWACAAAGSA-N 422.528 6.565 0 40 HKAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)Nc1ccc(Cl)cc1Cl 108137333 OMJLWFVMYNYOJR-UHFFFAOYSA-N 422.259 5.022 0 40 HKAB CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 123268921 VTQOHTCWNIBUGQ-UMUGTBLQSA-N 418.706 6.685 0 40 HKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1Cc1ccccc1 222916880 KEPCUWTZSIAIPT-RPWUZVMVSA-N 418.610 5.177 0 40 HKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cc(Cl)ccc4C)ccc32)c1 223083214 MQDVMCICYSTDHX-UHFFFAOYSA-N 418.924 5.802 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1C(C)C 223331819 QDIWBHOJTRCSKH-OALUTQOASA-N 405.538 5.925 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)NCCOc1cccc2ccccc12 223574344 OXWQHGLAXKGEAA-UHFFFAOYSA-N 403.906 5.061 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1C 224264694 ZZTFTMFPSOJWJT-DNQXCXABSA-N 418.610 5.875 0 40 HKAB O=C(CCSc1ccc(Cl)cc1)NCc1cccc(CN2CCCCC2)c1 224645825 XQLYYHIGEKSOMA-UHFFFAOYSA-N 402.991 5.125 0 40 HKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225003251 YYOQQGLYIJCBMD-INIZCTEOSA-N 401.919 5.271 0 40 HKAB COC(=O)c1c(NC(=O)CCc2ccc(Cl)c(Cl)c2)sc2c1CCCC2 225327988 QKDNZYGDWZOZBF-UHFFFAOYSA-N 412.338 5.292 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1F 225391262 SCIXIDRTYLZYTP-UHFFFAOYSA-N 405.469 5.615 0 40 HKAB C[C@@H]1CCCN(CCCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)C1 225504227 WAVJOENNRNRVGC-JOCHJYFZSA-N 420.597 5.638 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCCN(CC)CC)cc2)CCCCCC1 225659649 GYMPLKVLBNSAPC-UHFFFAOYSA-N 404.595 5.255 0 40 HKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225745849 OTHPPDKLXMDEJM-VWLOTQADSA-N 418.622 5.646 0 40 HKAB CCCO[C@@]1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OCC)c2)CCC[C@@H](C)C1 225854252 QYDMAFWGCGQNJD-GGUMNFRJSA-N 419.562 5.355 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(C(=O)c1ccccc1)C(=O)c1ccccc1 226338481 MEJYXHVXOXPRNY-COPCDDAFSA-N 406.522 5.372 0 40 HKAB COC(=O)c1ccc(Cl)c2c1[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 247818919 HHZFLHSBVLSEEI-WGJQMSHFSA-N 411.885 5.121 0 40 HKAB O=C1[C@H]2[C@@H](CCN1c1ccccc1)C[C@H](c1ccc(F)cc1)N2Cc1ccccc1 257256353 KLBUOOGRRUJOHM-FTBPSBKWSA-N 400.497 5.194 0 40 HKAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Oc2ccccc2-c2ccccc2)CC1=O 408649768 AGPFVIGMGBVUDN-GOSISDBHSA-N 405.881 5.274 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2N=C3CC[C@H](C(C)(C)C)C[C@H]3[C@]2(O)C(F)(F)F)cc1 409098053 IEXLYHXEQWAWHI-JKSBSHDWSA-N 424.507 5.509 0 40 HKAB COc1cccc(NC(=O)[C@@H](Sc2nc3cc(C)ccc3o2)c2ccccc2)c1 504533942 PGSJODBEJHXINN-NRFANRHFSA-N 404.491 5.617 0 40 HKAB Cc1ccccc1C(=O)N1CCCCCCCN(C(=O)C(C)C)c2ccccc2C1 2037885059 VKRXKGJKXVYKLB-UHFFFAOYSA-N 406.570 5.591 0 40 HKAB CCOc1ccc(-c2nc(N(C(=O)CC)c3cccc(Cl)c3)sc2CC)cc1 643344 OFVHKOQNICOQCR-UHFFFAOYSA-N 414.958 6.499 0 40 HKAB O=C(O)c1cc(-c2ccc(-c3cccc(Br)c3)o2)nc2ccc(F)cc12 934727 VIKDTWUZIWKKEX-UHFFFAOYSA-N 412.214 5.762 0 40 HKAB CCCC(=O)Nc1ccc(-c2cnc(-c3ccc(NC(=O)CCC)cc3)nc2)cc1 1087927 UUWOWMPOWPCWAV-UHFFFAOYSA-N 402.498 5.288 0 40 HKAB CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c1ccccc1F)c1ccccc12 1103112 YCZWOTMDTOVAGV-UHFFFAOYSA-N 405.425 5.175 0 40 HKAB CCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 2052107 MOPQXNIKCLLCCD-UHFFFAOYSA-N 422.337 5.805 0 40 HKAB Cc1ccc(N2COc3c(cc4c(-c5ccccc5)cc(=O)oc4c3C)C2)cc1Cl 2125021 VAVRKAZAQLOCLT-UHFFFAOYSA-N 417.892 6.087 0 40 HKAB biogenic CCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[C@@H](C(C)(C)C)C3 2183446 VYMGAKDUMAIJDS-OAHLLOKOSA-N 418.672 6.616 0 40 HKAB COc1cccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)c1 2250204 QKLZAHGIPLPHDO-UHFFFAOYSA-N 408.505 5.942 0 40 HKAB O=C([C@@H](Sc1ccccc1)c1ccccc1)N1c2ccccc2CCc2ccccc21 2286572 IMSLAEJOOQJVEN-MHZLTWQESA-N 421.565 6.984 0 40 HKAB Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)c2oc3ccccc3c2n1 2430969 JJGQTHRURBVQBE-UHFFFAOYSA-N 418.305 5.722 0 40 HKAB O=C(O)C[C@H]1c2ccccc2CCN1C(=O)OCC1c2ccccc2-c2ccccc21 2530206 RHKMQYBFMUXKQN-DEOSSOPVSA-N 413.473 5.010 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(F)cc2)N2CCCCC2)c1C 2546436 LJGUUEAXMPCDBS-QHCPKHFHSA-N 422.569 6.332 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)c(=O)oc12 2951599 JDAZYEZJTLKIHL-UHFFFAOYSA-N 421.836 5.500 0 40 HKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccccc1Br 3139956 HWXHKCUIOUMHFZ-UHFFFAOYSA-N 409.308 5.978 0 40 HKAB CCc1cccc2c(C(=O)COC(=O)CCSc3ccccc3Cl)c[nH]c12 3279286 BQPKBRIXKXOTNI-UHFFFAOYSA-N 401.915 5.292 0 40 HKAB O=C1c2ccccc2N[C@H](c2ccccc2Br)N1c1cccc(Cl)c1 3625214 BNWDDSBOVRAZFH-IBGZPJMESA-N 413.702 5.874 0 40 HKAB Cc1ccc(CSc2nc(Oc3ccccc3)c3sc4ccccc4c3n2)cc1 4092651 PUYZGDZBRDLRRW-UHFFFAOYSA-N 414.555 7.238 0 40 HKAB CC(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3c(C)c(C)ccc3s2)cc1 4273282 WPNCUCBDKWRUSX-UHFFFAOYSA-N 415.518 5.358 0 40 HKAB Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)c1 4444744 RIGRPZQKIYVNBJ-UHFFFAOYSA-N 420.965 6.007 0 40 HKAB CC[C@]1(C)C[C@@](CCN(Cc2ccccc2)C(C)=O)(c2ccccc2OC)CCO1 4811434 MQQLQGMWZQZRPZ-FTJBHMTQSA-N 409.570 5.351 0 40 HKAB COc1ccc(Nc2nnc(SCC(=O)C34CC5CC(CC(C5)C3)C4)s2)cc1 4838619 OIVOFSIPNCUKTJ-UHFFFAOYSA-N 415.584 5.168 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)c3ccc(F)cc3)C3CCCCC3)cc2c1 4861287 IBPODZSKXYDOBF-UHFFFAOYSA-N 424.947 6.619 0 40 HKAB O=C(CSC1=NC2(CCCCC2)N=C1c1ccc(F)cc1)Nc1ccc(F)cc1 4890815 MHRFABSLOSTIMI-UHFFFAOYSA-N 413.493 5.198 0 40 HKAB CC1(C)N=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)C(c2ccccc2)=N1 4890943 XNHSGCKNAWPWFG-UHFFFAOYSA-N 406.338 5.303 0 40 HKAB C[C@@H]1C/C(=C/c2cccs2)C2=NN(C(=O)c3ccncc3)[C@@H](c3cccs3)[C@@H]2C1 5577794 DBOVRNHDBFCWEW-FFIODICUSA-N 419.575 5.887 0 40 HKAB O=C(Nc1ccc(F)cc1)[C@@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1 6035362 OUCDJXWHCNCBEI-KRWDZBQOSA-N 410.499 5.144 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)cc2OC)N3)C1 6396182 AJCCTVNKUQXJLC-XCLFUZPHSA-N 414.571 5.735 0 40 HKAB Cc1ccc(-c2cc(OC(=O)COc3ccccc3C)cc3sc(=O)oc23)cc1 6809667 NNVJVTREFPHLET-UHFFFAOYSA-N 406.459 5.123 0 40 HKAB Cc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)c(Cl)c1 6824870 RNXGZHRHEDQSIT-HXUWFJFHSA-N 410.304 6.553 0 40 HKAB CCn1cc(C(=O)CSc2nnc(-c3ccccc3F)n2C(C)C)c2ccccc21 7459662 XFJYZLYXOZVOGY-UHFFFAOYSA-N 422.529 5.615 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3cccc(SC(C)C)c3)n2)cc1OC 7597893 FHTOESDNOOBYHS-UHFFFAOYSA-N 414.552 5.580 0 40 HKAB CC(=O)Nc1ccc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)cc1 7642201 DYQLKTYMKSJOOT-UHFFFAOYSA-N 403.463 5.299 0 40 HKAB Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)s2)cc1 7758570 BOHDARBKLJSELD-KGLIPLIRSA-N 416.547 5.087 0 40 HKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 8049503 DLYSFJYSSIXVEU-JOCHJYFZSA-N 411.954 6.428 0 40 HKAB Cc1nc(SCC(=O)NC(c2ccccc2)c2ccccc2)n(CC(C)C)c1C 8478769 QPARIGBWLDRWLE-UHFFFAOYSA-N 407.583 5.154 0 40 HKAB CCOc1ccc2nc(SCc3ccc(OC(F)(F)C(F)F)cc3)sc2c1 8815678 MPADDNSPRLKBNT-UHFFFAOYSA-N 417.449 6.224 0 40 HKAB O=C(Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1)c1ccc(Br)cc1 9660203 PUIAFIVGOPBDAF-UHFFFAOYSA-N 420.262 5.475 0 40 HKAB biogenic Cc1nc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)cc(OC(C)C)n1 12226033 NOVYTOWAXTVMSK-UHFFFAOYSA-N 411.893 5.613 0 40 HKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2cccc(C)c2)CC1=O 14095535 GPAOZUWTIHJLNF-NRFANRHFSA-N 419.569 5.320 0 40 HKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 14412642 ZCSRXFSOFFNERC-AWEZNQCLSA-N 418.345 6.905 0 40 HKAB Clc1ccc(-c2csc3ncnc(N4CCN(Cc5ccccc5)CC4)c23)cc1 15346309 NKVKYJXOIZZEDT-UHFFFAOYSA-N 420.969 5.334 0 40 HKAB CC(=O)Nc1cccc(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)c1 15578841 ISFZXIAZVHOGJK-UHFFFAOYSA-N 415.468 5.504 0 40 HKAB O=C(Cc1ccccc1)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 17089491 ANMURFAHQCNSNX-UHFFFAOYSA-N 413.329 6.451 0 40 HKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1C 17167210 VZVPMKMUBITWGC-UDWIEESQSA-N 408.523 5.102 0 40 HKAB Cc1nc(Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c2oc3ccccc3c2n1 17246917 FHTGGSJXPWAVTR-UHFFFAOYSA-N 424.485 6.410 0 40 HKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1c(C)cc(Cl)cc1Cl 20144537 QOMKCHXERKGVRE-UHFFFAOYSA-N 420.292 5.380 0 40 HKAB O=C(NCCSCc1ccccc1)c1ccc(CSCc2ccccc2)cc1 20238898 AVTHQQAKJNPFAQ-UHFFFAOYSA-N 407.604 5.783 0 40 HKAB Cc1ccc(C(=O)Nc2cc(NC(=O)c3ccc(C)c(C)c3)cc(C(=O)O)c2)cc1C 20394540 VUVUAYPASCLDIU-UHFFFAOYSA-N 416.477 5.123 0 40 HKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 20610920 GGBZWWXLSXZWKS-OAHLLOKOSA-N 420.900 5.504 0 40 HKAB C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4cc(Cl)ccc4N4CCOCC4)cc3c2C1 23079069 DCAIYMARVWAITN-OAHLLOKOSA-N 423.944 5.035 0 40 HKAB O=C(N[C@H](Sc1nc2ccccc2s1)C(=O)c1cccs1)c1ccccc1 27061735 JERLTJFJCZYGFH-LJQANCHMSA-N 410.545 5.089 0 40 HKAB CC(C)c1noc([C@H](C)Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)n1 27766612 GPKKIWFIAZGDKD-ZDUSSCGKSA-N 417.966 6.073 0 40 HKAB Cc1cc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)sc1C 30700295 QJLFNULZPPBYTD-UHFFFAOYSA-N 420.943 5.071 0 40 HKAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCSc2ccc(F)cc21 31712048 AQPQKUWKBABQAZ-QMTHXVAHSA-N 400.302 5.253 0 40 HKAB CCOc1ccc(NCc2cc(Br)c(OC)c(Br)c2)cc1 37189324 IFYFQQJJNLBZHA-UHFFFAOYSA-N 415.125 5.231 0 40 HKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(Cl)cc2)cc1 40485342 PYWXWWDILDIPTA-QFIPXVFZSA-N 424.327 6.355 0 40 HKAB Cc1ccc(-c2nc(-c3nc4ccccc4s3)c(OC(=O)c3ccccc3)o2)cc1 41154919 XLLIZTSYEMXUDI-UHFFFAOYSA-N 412.470 6.146 0 40 HKAB CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(C)cc1 44899770 RDQPIAJOPNAEJL-LJQANCHMSA-N 404.348 5.527 0 40 HKAB O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078933 PGNBBGUUJYWMTC-UHFFFAOYSA-N 422.887 5.002 0 40 HKAB Cc1ccc2c(Nc3ccc(C)c(Cl)c3)c(C(=O)N3CCCC[C@@H]3C)cnc2n1 49005217 IAZFXNVNFGKWQS-INIZCTEOSA-N 408.933 5.658 0 40 HKAB O=C(Nc1nc2ccccc2s1)c1ccc(OCc2nc(C3CC3)cs2)cc1 56907799 ODAMUTIILAVIRH-UHFFFAOYSA-N 407.520 5.462 0 40 HKAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(N4C[C@H](C)C[C@@H](C)C4)cc3)cc2c1 57718420 CXUUXRNIKSHXFZ-QZTJIDSGSA-N 405.542 5.021 0 40 HKAB CC(=O)c1ccc(SCC(=O)Nc2ccc(NC3CCCCC3)cc2)c(F)c1 58168750 OZSKKOLPYUWKSW-UHFFFAOYSA-N 400.519 5.504 0 40 HKAB O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)c1nccc2ccccc12 60322141 SNZZRCWWTGJKCM-UHFFFAOYSA-N 415.320 5.020 0 40 HKAB CC[C@H](C)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2NC(=O)[C@H](C)CC)CC1 72307947 CTTXJRODFRSDDH-CABCVRRESA-N 412.496 5.442 0 40 HKAB FC(F)(F)c1cc(NC2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2n1 89866633 CBQSIQWAQVPHMY-UHFFFAOYSA-N 419.878 5.984 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2ccccc2F)cc1 108224470 BJLKTQBPRRLOET-OAQYLSRUSA-N 424.497 5.173 0 40 HKAB COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118928147 NMYROXPSKHHTLY-NXBNXRBISA-N 402.575 5.306 0 40 HKAB CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(Cc2cccc3ccccc23)C1=O 209557546 MABBPYXIRLVCHN-FYJGNVAPSA-N 423.921 6.128 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc2ccccc2c1 223639906 QFTURMVPKVLSQC-DEOSSOPVSA-N 405.538 5.490 0 40 HKAB CCCOc1ccccc1CCCNC(=O)CSCc1ccc(Cl)cc1F 223711886 SGJSEFRZTNIEQK-UHFFFAOYSA-N 409.954 5.250 0 40 HKAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 223866362 VCEFGKIJRXRLIQ-GOTSBHOMSA-N 418.566 5.271 0 40 HKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 224358666 JNLGEDFMHZXCJV-GOTSBHOMSA-N 404.583 5.765 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COCc1ccccc1 224461323 JURHUXSTGFWYIH-UHFFFAOYSA-N 415.411 5.683 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1cccc(C)c1 224462802 SVJLEJUSZJFCSY-SFHVURJKSA-N 423.940 6.117 0 40 HKAB Cc1ccccc1[C@@H]1CCN(C(=O)CSc2nc3ccccc3s2)CCS1 225741561 BDTGXRQMIMCABR-SFHVURJKSA-N 414.621 5.404 0 40 HKAB CC(=O)N[C@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cccc(Br)c2)C1 257263823 LRQGSWYOWTTZSP-XUVXKRRUSA-N 406.295 5.076 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)cc1 408694284 IJJGFOYVRNBPNM-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2ccc(C)cc2C)c1 408697953 KHQYYHLXDUSWDD-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408989687 VDUGJJAOHLQJKF-CIAFOILYSA-N 424.283 5.917 0 40 HKAB Cc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccncc2)cc1 409099142 SGOQBUFDKJKAHA-UHFFFAOYSA-N 408.530 6.083 0 40 HKAB Cc1cccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)c1C 409109949 OLIPFCAHTOVUNT-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(CSc2ccccc2)cc1 409122811 BXDRXJYWDQSCTL-UHFFFAOYSA-N 421.871 6.903 0 40 HKAB CCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)c2ccccc21 409137397 WZURQHYUOCVTFH-STZFKDTASA-N 403.453 5.320 0 40 HKAB CCOC(=O)c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1ccc(Br)cc1)N2 409190748 VWVHYPFLIJMSNI-LSTHTHJFSA-N 416.315 5.260 0 40 HKAB Cc1ccc(CN2C(=O)N/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 409226417 NSYPRXHUEGDLIL-BUVRLJJBSA-N 421.500 5.091 0 40 HKAB COc1ccc([C@H](NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C(C)C)cc1 604418503 FPZOAKSCSHFQDN-FGZHOGPDSA-N 406.530 5.205 0 40 HKAB O=C(N[C@@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl)c1ccco1 675902 VPKLKSNWEMKGQV-GFCCVEGCSA-N 402.492 5.125 0 40 HKAB CC(C)c1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 919326 JZVXSLFWPBASHQ-CRAIPNDOSA-N 418.419 5.512 0 40 HKAB CC(C)c1oc2cc(OC(=O)C(C)(C)C)ccc2c(=O)c1-c1nc2ccccc2n1C 945290 JRWOCEIMDMUMFS-UHFFFAOYSA-N 418.493 5.422 0 40 HKAB biogenic Fc1cccc(Cl)c1CSc1nnc(COc2cccc3cccnc23)o1 1223324 JTDQHVSJLACHMZ-UHFFFAOYSA-N 401.850 5.282 0 40 HKAB O=C(c1cccc(F)c1)N(C1=NCCCS1)c1cc(C(F)(F)F)ccc1Cl 1327932 DCDUXARTNOGTKG-UHFFFAOYSA-N 416.827 5.638 0 40 HKAB Oc1ccc(-c2csc(-n3nc(-c4ccc(Cl)cc4)cc3C(F)(F)F)n2)cc1 1413642 BCNNWVMZZRWQOJ-UHFFFAOYSA-N 421.831 6.041 0 40 HKAB Clc1ccccc1NN(c1ccccc1Cl)C(c1ccccc1)c1ccccc1 1723173 PWPDXFILXCJNSV-UHFFFAOYSA-N 419.355 7.617 0 40 HKAB CC(C)CCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 1825373 HRKOGQQGNVCBHN-UHFFFAOYSA-N 415.628 6.352 0 40 HKAB CCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1 2615716 GZOPCUIMKQFGMM-HNNXBMFYSA-N 404.418 5.069 0 40 HKAB Cc1ccccc1NC(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 2725431 FECUSJBZBMKGAG-UHFFFAOYSA-N 407.175 5.111 0 40 HKAB COc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1C 2738669 GXVWPYFFFGDGCA-HYARGMPZSA-N 413.473 5.236 0 40 HKAB CC(C)c1ccc(-c2csc3ncnc(Nc4cccc(C(F)(F)F)c4)c23)cc1 2890619 AGMBJFBIJGNONE-UHFFFAOYSA-N 413.468 7.244 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1nc(-c2ccc(Br)s2)cs1 3167035 UJAQDFJVOYSFKS-UHFFFAOYSA-N 414.737 5.932 0 40 HKAB Cc1oc2cc(OCC(=O)c3cccs3)ccc2c(=O)c1Oc1ccc(F)cc1 3219886 DNDCNJZKEJNZJK-UHFFFAOYSA-N 410.422 5.356 0 40 HKAB O=C(OCc1csc(-c2ccccc2)n1)/C(=C/c1cccs1)c1cccs1 3301454 KOIWTRBJYOIULY-LDADJPATSA-N 409.557 6.217 0 40 HKAB CCOc1ccc(-c2nc(NC(=O)c3sccc3-c3ccccc3)sc2C)cc1 3328380 YGGNDCSKZOGFSW-UHFFFAOYSA-N 420.559 6.498 0 40 HKAB O[C@@H](CNC(c1ccccc1)c1ccccc1)COC(c1ccccc1)c1ccccc1 3395587 LLMPSESUGCTMMR-MHZLTWQESA-N 423.556 5.533 0 40 HKAB Cc1cc(-c2csc(Nc3ccccc3)n2)c(C)n1Cc1ccc2c(c1)OCO2 3413075 WCCWQPFUTTXKMW-UHFFFAOYSA-N 403.507 5.749 0 40 HKAB C/C(=C\c1ccccc1)[C@H]1C(=O)N(c2cccc(C)c2C)CC(=O)N1c1ccccc1 4090648 JUMWMUFCPNLPTF-GDNFTRMYSA-N 410.517 5.155 0 40 HKAB biogenic Cn1c2ccccc2n2c(C(=S)Nc3ccccc3)c(-c3ccc(Cl)cc3)nc12 4600099 WLGJQHCLIFOKJR-UHFFFAOYSA-N 416.937 5.934 0 40 HKAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccccc2OC)C[C@@H]1c1ccc(Cl)cc1 4816970 OWEKXOURCQVWPV-WOJBJXKFSA-N 424.932 5.198 0 40 HKAB O=C(c1ccccc1-c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 4982869 DRQQEKPNLXHTPF-UHFFFAOYSA-N 424.543 7.571 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)o1 5093026 BTNJQQQLFMHFSK-QHCPKHFHSA-N 413.521 5.124 0 40 HKAB COc1ccccc1NC(=O)c1ccc(CSc2cc3ccccc3s2)cc1 5235416 ARFLBPMOIPOQDB-UHFFFAOYSA-N 405.544 6.455 0 40 HKAB O=C(Cc1ccccc1)Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(F)cc1 5347036 QKUNSNZLQZAUPC-UHFFFAOYSA-N 407.828 5.434 0 40 HKAB Cc1nc(N)nc(-c2ccc(OCc3ccc(Cl)cc3)cc2O)c1-c1ccccc1 5389370 FOZRCQOEZUITOE-UHFFFAOYSA-N 417.896 5.639 0 40 HKAB O=C(O)c1ccc(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCCC5)o2)cc1 5728926 RMFMKWOEMDKMPQ-UHFFFAOYSA-N 406.463 5.291 0 40 HKAB CCc1ccc2c(c1)C(c1ccc(N(C)C)cc1)=NNC(c1ccc(Cl)cc1)=N2 6134957 FLHUSKJZOFTWJC-UHFFFAOYSA-N 402.929 5.402 0 40 HKAB CCc1sc(NC(=O)CC(c2ccccc2)c2ccccc2)nc1-c1ccccc1 6397873 HDQGJJKLNSMOAO-UHFFFAOYSA-N 412.558 6.533 0 40 HKAB Cc1c(C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)cnn1C 6527537 LYHZWLYLNHNOQO-VPGDCXKZSA-N 410.521 5.165 0 40 HKAB CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)S/C1=N/c1ccc(OC)cc1 6948126 MMCVIXGZBMXUNJ-IZSQXYTLSA-N 405.523 5.294 0 40 HKAB Cc1ccc(-n2c(C)cc(/C=C(\Sc3nc4ccccc4o3)C(=O)O)c2C)cc1 7365536 XSTJIAROWIFMNI-BKUYFWCQSA-N 404.491 5.762 0 40 HKAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4)cc3)CC2=O)cc1 7882517 KBWZHTCPPVDOMA-HXUWFJFHSA-N 414.505 5.341 0 40 HKAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCc2sccc2[C@H]1c1cccs1 7947858 VLLPMLBIPXKBOL-DEOSSOPVSA-N 419.571 6.177 0 40 HKAB CC(C)OC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(C(C)C)cc3)sc2c1 8903691 YHTSDRWCLNHLJQ-KPKJPENVSA-N 408.523 5.637 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1Cl 9134671 PBDRVJZNVIBWKG-UHFFFAOYSA-N 408.841 5.423 0 40 HKAB Cc1cc2nc(-c3ccc(OCc4ccc(Cl)cc4)cc3)cc(C(F)(F)F)n2n1 9934555 NGVPCUZPCGBGTK-UHFFFAOYSA-N 417.818 5.956 0 40 HKAB COc1ccc(NC(=O)c2c(-c3ccc(OC)cc3)oc3ccc(OC)cc23)cc1 11866439 UUGLVDFEIOIETJ-UHFFFAOYSA-N 403.434 5.378 0 40 HKAB biogenic O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1cccc(F)c1 12651232 ZMGCEOUHSACEOQ-UHFFFAOYSA-N 401.224 6.193 0 40 HKAB O=C1Nc2cc(Cl)ccc2/C1=C\c1csc(-c2cccc(Br)c2)n1 12693605 LIZNTWZVCPBFPH-OVCLIPMQSA-N 417.715 5.719 0 40 HKAB O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(N2CCCCC2)cc1 14401723 BJHHQJWIVDPFLW-UHFFFAOYSA-N 423.409 5.647 0 40 HKAB Cc1cccc(-c2csc(-c3nc(-c4ccc(Cl)cc4)no3)c2-n2cccc2)c1 15829090 GVMVAAMQYWOTLL-UHFFFAOYSA-N 417.921 6.885 0 40 HKAB CC(C)c1ccc(NC(=O)Cn2nc(C3CCCCC3)n(-n3cccc3)c2=S)cc1 16777973 CAGSYZBAIVMARC-UHFFFAOYSA-N 423.586 5.337 0 40 HKAB CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(CC)ccc3o2)c(O)c1 17088950 GSRRCQQZXXNCRL-UHFFFAOYSA-N 411.527 5.156 0 40 HKAB CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1 19081741 YSGHOMVLHJUMCA-IRLDBZIGSA-N 413.993 5.383 0 40 HKAB CCOc1ccc(CNC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1OCC 19933206 FSIUQRTUHNCIGG-FQEVSTJZSA-N 407.963 5.325 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)cc1 20489441 BLCPWAYQCRWHOA-UHFFFAOYSA-N 405.925 6.050 0 40 HKAB CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccccc1C(F)(F)F)NC2 20507345 SLPJGMXSYHFUSY-JOCHJYFZSA-N 416.443 5.486 0 40 HKAB CCn1cc(C(=O)Nc2ccccc2Oc2ccccc2)c(=O)c2cc(OC)ccc21 22235989 PSYJATXIEWOJQF-UHFFFAOYSA-N 414.461 5.075 0 40 HKAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)C(c1ccccc1)c1ccccc1 32610102 CYPBPWMTBMCNSY-UHFFFAOYSA-N 413.496 5.458 0 40 HKAB COc1ccc(-c2nnc([C@H](C)N3CC=C(c4c[nH]c5ccccc45)CC3)o2)cc1 32753106 IBFSCMAYXFBIIY-INIZCTEOSA-N 400.482 5.077 0 40 HKAB COc1cc2c(cc1NC(=O)c1c(C)nc(C(C)C)nc1SC)oc1ccccc12 32759158 OKAUATFCCCTYLR-UHFFFAOYSA-N 421.522 5.791 0 40 HKAB Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CCNC(=S)Nc2ccc(Cl)cc2)C1(C)C 33433974 ZONYZKLNGMMSCG-NQIIRXRSSA-N 412.002 6.246 0 40 HKAB CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)c1 35040650 WFURBDZEXHXVAO-CXUHLZMHSA-N 418.337 5.058 0 40 HKAB CC(=O)Nc1sc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1-c1ccc(C)cc1 35671534 BSSLKPMSLDFEPM-UHFFFAOYSA-N 407.539 5.627 0 40 HKAB O=C(Nc1ccc(F)cc1)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 38501476 SJXOKPNSUNTPRB-UHFFFAOYSA-N 423.394 5.121 0 40 HKAB O=C(NC1CCN(c2ccccc2)CC1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 58394102 NQIAFELZQRJTPM-UHFFFAOYSA-N 414.427 5.364 0 40 HKAB Clc1ccc(COc2ccc([C@H]3NN=C(c4ccccc4)S3)cc2)c(Cl)c1 59409057 KMZOHGHYTGVBRH-NRFANRHFSA-N 415.345 6.269 0 40 HKAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72214855 MKSJVBYALVEDAF-KRWDZBQOSA-N 405.539 5.304 0 40 HKAB Cc1ccc2cc(C(=O)N(CCc3ccccc3)c3nc(C)cs3)c(C)nc2c1 78732978 ZPDDEAAEBIJMOH-UHFFFAOYSA-N 401.535 5.506 0 40 HKAB CC(C)(C)OC(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1OC(F)(F)F 95611622 HENPOTWGRDPWQZ-INIZCTEOSA-N 417.811 5.667 0 40 HKAB O=C1[C@H](c2ccccc2)C(=S)N2[C@@H](c3ccccc3)c3[nH]c4ccccc4c3C[C@H]12 103357884 IVDBOCQRNBHGAG-GPXNEJASSA-N 408.526 5.178 0 40 HKAB CC(C)C1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2C[C@H]1[C@H]1C(=O)CCC(=O)[C@H]13 105367000 JPGGQHZUOUAFHK-XMEWOFACSA-N 412.570 5.060 0 40 HKAB biogenic Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1ccc(CN2CCC(C)CC2)cc1 141525954 BCBNMIUYEOMYLU-UHFFFAOYSA-N 406.549 5.472 0 40 HKAB O=C(Nc1ccccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 216445542 AMHBSRCNZGVXLH-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB CCOc1ccccc1CCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1 218989754 GPSQEORNKADUMV-UHFFFAOYSA-N 423.940 5.680 0 40 HKAB Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 222633612 INXFKVGVRHICLX-SZFUDVHCSA-N 409.942 5.893 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 222694004 MCTZAQZRZUNEFF-MIDMBNTASA-N 418.562 5.322 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1C1CCCCC1 223081989 DAJCWOSVQDGLGR-DLBZAZTESA-N 422.417 5.211 0 40 HKAB CCCSc1nnc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)s1 223854373 BNOPCQQMDZYRPF-DTQAZKPQSA-N 415.971 5.873 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1ccccc1C 224098349 CZXPJMGZDUYQNS-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)c1 224242339 HVAFRFQFLBLOEI-DNQXCXABSA-N 410.546 5.358 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1CSc1ccc(Cl)cc1 224345824 DJBGYSXYRQFQMH-MRXNPFEDSA-N 411.954 6.132 0 40 HKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 224449235 INSCMYCGFHYJNY-YADHBBJMSA-N 406.530 5.314 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccccc1OC 224575250 PKVYYDLXQFJHMK-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1CSc1ccccc1 224653837 ZOJNCIHAFTYTCN-UHFFFAOYSA-N 407.535 5.947 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCC2)cc1CSc1ccc(Cl)cc1 224670290 NEGNYHATRJCTCR-UHFFFAOYSA-N 418.002 6.484 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)NCCSCc1c(F)cccc1Cl 225349384 MWRNBTWWBWEOSV-UHFFFAOYSA-N 420.764 5.768 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)CCc2ccc(Cl)cc2Cl)c2ccccc2O1 225366073 PTLKZYXRAWTIMO-LJQANCHMSA-N 406.353 6.125 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1Cl 225407572 WSIJYZWBMZOITB-AWEZNQCLSA-N 418.990 5.862 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)c1 225499873 BRBSHPGLYYUPBG-GOSISDBHSA-N 420.962 5.209 0 40 HKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225703116 RXKSOCLGYCTIAO-XMMPIXPASA-N 404.595 5.111 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2ccccc12 225775486 FAGYCZWFMNWDRI-UHFFFAOYSA-N 407.485 5.453 0 40 HKAB Clc1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)cc1Cl 226343345 CJLJSBKVMDKOFH-UHFFFAOYSA-N 420.919 6.062 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(N)cc3Br)o2)cc1Cl 227157621 RJNQZPAPOBGYJQ-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB CCCc1s/c(=N\C(=O)c2ccccc2F)n(CC)c1-c1ccc(Cl)cc1 408560118 CALHEAPNDWASSB-FLFQWRMESA-N 402.922 5.723 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cc2cc(Cl)ccc2o1 408604746 IBASFTLFNZIVCD-UHFFFAOYSA-N 405.925 6.806 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2ccc(C)cc2C)cc1 408697541 HNVNMKYCBQJPBE-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB Cc1ccc(-c2sc(NC(=O)c3cccc(Cl)c3)nc2-c2ccccc2)cc1 408836878 WODKJUCOQYRMFL-UHFFFAOYSA-N 404.922 6.691 0 40 HKAB CC[C@H](C)n1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c2ccccc21 409132298 ZEPNECJFBZDYTL-RPNTZMPASA-N 418.562 6.281 0 40 HKAB O=C(c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2)N1CCCCCC1 409169735 YXZSLCXYFHAABE-WQLLKYAWSA-N 400.566 5.999 0 40 HKAB O=C1OC(c2ccccc2)=N/C1=C/c1cccc(OCc2cccc3ccccc23)c1 409182631 NWHUQRBAIAQXAW-KOEQRZSOSA-N 405.453 5.763 0 40 HKAB O=C(N[C@@H](Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1)c1cccs1 631739 UBBWZAHVHMTJEI-GOSISDBHSA-N 405.306 5.106 0 40 HKAB COC(=O)c1c(NC(=O)CSc2ccccc2)sc(C)c1-c1ccc(F)cc1 652012 BGDQFCBOUNKVOB-UHFFFAOYSA-N 415.511 5.380 0 40 HKAB COc1ccc([C@H](CC(=O)c2ccc(C)cc2)Sc2ccccc2NC(C)=O)cc1 723797 BOKAVPTWCPEZBD-VWLOTQADSA-N 419.546 6.068 0 40 HKAB CCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2F)c2ccccc2)C[C@H]1C 822385 WJMKAUYKXYKQFP-HOYKHHGWSA-N 416.496 5.749 0 40 HKAB CC[C@H](C)OC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 957144 LAOLKFZLBLZEPC-IRXDYDNUSA-N 410.466 5.311 0 40 HKAB O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1cccc2c1-c1ccccc1C2 1717012 ICHPEZJOLYKKSM-UHFFFAOYSA-N 405.453 5.875 0 40 HKAB CCC[C@H]1Cc2c(sc3nc(SCc4ccccc4Cl)nc(N)c23)CO1 2221437 NHUGCIVBDTZNIU-LBPRGKRZSA-N 405.976 5.461 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(C(C)C)cc2)cc1 2349965 AAKRUGSXJDDYJJ-UHFFFAOYSA-N 414.505 5.275 0 40 HKAB COc1ccc(C(=O)Nc2c(-c3ccccc3Cl)c(=O)c3ccccc3n2C)cc1 2440957 YRMDUQGCMBYGOV-UHFFFAOYSA-N 418.880 5.120 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1csc(-c2cccc(C(F)(F)F)c2)n1 3069988 WLEOMPOIGXHRQF-UHFFFAOYSA-N 417.239 6.388 0 40 HKAB CCN(CC)[P@](=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cc1ccccc1 3122354 LGWFQOPQTAFQFV-OAQYLSRUSA-N 411.524 6.308 0 40 HKAB Cc1ccc(-c2cc(NS(=O)(=O)c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1 3285153 LTZFVAPRJUNTAV-UHFFFAOYSA-N 423.925 5.302 0 40 HKAB O=C(Cc1c(Cl)cccc1Cl)Oc1cc(=O)n(-c2ccccc2)c2ccccc12 3419242 AOKWCPJEIRUHSW-UHFFFAOYSA-N 424.283 5.446 0 40 HKAB CCCC[C@H]1CC2(c3ccccc3-c3ccccc32)N(c2ccc(Cl)cc2)N1C#N 4146958 VQBWTFRASAFFQA-NRFANRHFSA-N 413.952 6.731 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4215452 LINVVMHRTUSXHL-GGVPDPBRSA-N 400.647 6.712 0 40 HKAB in-man Cc1ccc(C(C)C)cc1C(=O)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 4599890 HIWGLZOVEIFSDN-HHHXNRCGSA-N 413.517 5.126 0 40 HKAB COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2SCC(=O)N2CCC(C)C)cc1 4980072 BTSMGARHZGXNER-XMMPIXPASA-N 421.566 5.168 0 40 HKAB CSCC[C@H]1Oc2ccccc2[C@@H]2CC(c3cccc(Br)c3)=NN21 5142437 JIFSUSNWFDLSOD-PKOBYXMFSA-N 403.345 5.072 0 40 HKAB Cc1cccc(C)c1OC(=O)NCCCCCCNC(=O)Oc1c(C)cccc1C 5329398 HUFXMHVZFCTMMR-UHFFFAOYSA-N 412.530 5.358 0 40 HKAB COc1cccc(NC(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)c1 5428446 PRQOAWUMLSZWGR-UHFFFAOYSA-N 406.486 5.112 0 40 HKAB Cc1ccc(CSc2nc3c(c(Sc4ccc(Cl)cc4)n2)CCCC3)cc1 5541265 BTOPFZLMXACILM-UHFFFAOYSA-N 413.011 6.761 0 40 HKAB O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccc(F)cc1 6140685 GFFWERDWPFXZIT-UHFFFAOYSA-N 415.559 5.550 0 40 HKAB COc1ccc(NC(=O)[C@H](N[C@@H]2CCCc3ccccc32)c2ccccc2)cc1Cl 6935578 YIFPLLFMGRIWKL-ISKFKSNPSA-N 420.940 5.696 0 40 HKAB O=C(Oc1ccc2c(c1)OCO2)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 7007769 KVKAWUVUFIHOHJ-UHFFFAOYSA-N 403.821 5.503 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c(C)c1 8496771 LMAQQYAXJQIHMD-HXUWFJFHSA-N 405.563 6.310 0 40 HKAB CCCCOc1ccc(NC(=S)Nc2cc(C)nc(SCCCC)n2)cc1 8691709 NAZYNWIKWRYUQK-UHFFFAOYSA-N 404.605 5.665 0 40 HKAB O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccc(-c2ccccc2)cc1 9366842 SWCRGBYUCQRMOT-UHFFFAOYSA-N 421.522 5.889 0 40 HKAB CSc1cccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)c1 11326402 SDUYOZKEHJATIR-UHFFFAOYSA-N 407.322 5.942 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccc(C)cc2)cc1 12193926 NDPODGWHPXUKKL-LADGPHEKSA-N 423.343 6.853 0 40 HKAB O=S(=O)(/C(=C/c1ccc2ccccc2c1)c1nc2ccccc2[nH]1)c1ccccc1 12604087 XTHGFJBCMHIHRG-JJIBRWJFSA-N 410.498 5.688 0 40 HKAB COc1ccc(NC(=O)COc2c(C)cc(Br)cc2Cl)cc1Cl 12623400 IDJLUYAPOKTPSF-UHFFFAOYSA-N 419.102 5.090 0 40 HKAB COc1ccc(C2=C[C@H](c3ccccc3)[C@H]3CCCC[C@@]34Oc3ccccc3N24)cc1 12656902 HGGPYRPVMWSYOB-PRVBGKCFSA-N 409.529 6.619 0 40 HKAB biogenic Cc1cc(CSc2ncccc2C(=O)N(C)[C@H](C)c2nc3ccccc3s2)no1 12799221 DHGOXIRYXGSRRJ-CQSZACIVSA-N 424.551 5.113 0 40 HKAB CC(=O)c1cc(Cl)ccc1OCC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 12810173 QUWVEPMEXZLUAR-NRFANRHFSA-N 417.889 5.028 0 40 HKAB Cc1cc(-c2ccccc2)nc2oc(C(=O)c3ccc(-c4ccccc4)cc3)c(N)c12 13001650 SQMFHYGMHHFKEV-UHFFFAOYSA-N 404.469 6.283 0 40 HKAB COc1cc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)ccc1OC(F)F 13009030 LUBDPKPOOZATOM-FQEVSTJZSA-N 415.461 5.146 0 40 HKAB Clc1ccccc1CNc1cc(-c2ccccc2)c2cc3c(cc2n1)OCCO3 13129736 JZBLGAUHKHIWNZ-UHFFFAOYSA-N 402.881 5.939 0 40 HKAB FC(F)(F)c1cc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)ccc1Cl 13134377 GDKLEEBNUFDBKG-UHFFFAOYSA-N 422.859 6.960 0 40 HKAB Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccc(Cl)cc2)cc1 13778934 DRKZIIMBIWOXCB-UHFFFAOYSA-N 402.881 5.337 0 40 HKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 14665371 VDOMEGQBPPZNFT-IBGZPJMESA-N 422.569 5.406 0 40 HKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3nc(-c4ccccc4)cs3)n2)cc1 17087765 GIMHWMMFAYUDOM-UHFFFAOYSA-N 407.542 6.947 0 40 HKAB C[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(F)c(F)c1 17315413 IRVMMIGFNOCRQN-AWEZNQCLSA-N 400.856 5.721 0 40 HKAB OC(c1ccccc1)(c1ccccc1)[C@@H]1/C(=C/c2ccccc2)[C@@H]1Cc1ccccc1 17430431 FLLRDUYIVVAICX-QYMZAWKRSA-N 402.537 6.495 0 40 HKAB O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccc(C(=O)O)cc1 20151074 MXFNESZXNHPKIY-PKNBQFBNSA-N 401.340 5.316 0 40 HKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21577144 NZAJIJMJSYWXCP-UHFFFAOYSA-N 413.562 5.240 0 40 HKAB COc1ccc(CN(C(=O)c2oc3ccc(C)cc3c2C)c2ccccn2)cc1OC 28292615 XTQSRDQTOBJJLH-UHFFFAOYSA-N 416.477 5.309 0 40 HKAB O=c1c2ccsc2nc(SCc2cc(F)cc3cccnc23)n1-c1ccccc1 31613017 CBVKRPRLWGBOMT-UHFFFAOYSA-N 419.506 5.427 0 40 HKAB Cc1ccc2nc(Cc3ccc(NC(=O)[C@H](C)Oc4ccc(F)cc4)cc3)[nH]c2c1 35316711 QJFOIXWYJYEPQO-INIZCTEOSA-N 403.457 5.007 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(O)=Nc2c(-c3ccc(F)cc3)cnn21 35685040 VVMDZJZIYRGIHT-OAHLLOKOSA-N 419.243 5.168 0 40 HKAB O=C(c1ccc(-c2ccc(F)cc2)s1)N1CCC(O)(c2ccc(Cl)cc2)CC1 36357339 QPKNUYAOXAHYMS-UHFFFAOYSA-N 415.917 5.331 0 40 HKAB COc1ccc(-c2cnc(SC3CCCC3)n2-c2cccc(C(F)(F)F)c2)cc1 44087724 NYZITBWLLNKADE-UHFFFAOYSA-N 418.484 6.601 0 40 HKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 44947758 OIXGOOZNWDROAF-GAJHUEQPSA-N 404.510 5.164 0 40 HKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc2ccccc2c1 44947768 OIXGOOZNWDROAF-SBUREZEXSA-N 404.510 5.164 0 40 HKAB Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3cccc(C)c3C)n2)cc1 46012157 CTXLKRPDFSWOOG-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB Cc1cc(C)n(-c2ccc(CNc3cccc(NC(=O)c4ccccc4)c3C)cc2)n1 55884120 PYMIJSZGKFHZNR-UHFFFAOYSA-N 410.521 5.662 0 40 HKAB C[C@@H](NC(=O)c1sccc1-c1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 58023222 YTHMMIHOUSIWHN-CQSZACIVSA-N 408.498 5.394 0 40 HKAB Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 59268230 AQQBHJFOTPUYMN-UHFFFAOYSA-N 412.273 5.222 0 40 HKAB COc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(Cl)cc1 59409149 HKIZLSSZJVAXNP-QFIPXVFZSA-N 410.926 5.624 0 40 HKAB Cc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3)nc2c1 59477572 LUIGYTGULNUTAZ-DTQAZKPQSA-N 420.468 6.715 0 40 HKAB Cc1ccc(-n2cc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3c2=O)cc1 67245251 PXSKHZILCSXYKJ-UHFFFAOYSA-N 413.864 5.670 0 40 HKAB CCc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1 67294449 AFTKHZWYXCOMJW-PNHLSOANSA-N 402.881 6.133 0 40 HKAB Brc1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1 72333535 XHYYPWYQAPBPOW-UHFFFAOYSA-N 415.360 5.083 0 40 HKAB Cc1nc(N[C@H](c2nnc3n2CCC3)C(C)C)c2c(-c3ccccc3)csc2n1 79063671 QGVSEBXHPIUXTP-IBGZPJMESA-N 404.543 5.014 0 40 HKAB Cc1ccccc1[C@H]1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 95352045 TZUVINPRDKWLNG-LJQANCHMSA-N 414.431 5.569 0 40 HKAB C[C@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)[C@H]1C[C@H]2CC[C@H]1C2 103961973 BVAJBDQPCQRYPJ-DHNNRRLOSA-N 414.549 5.882 0 40 HKAB C/C=C(\CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118915351 OSELKOCHBMDKEJ-DVVRBRAISA-N 412.702 7.945 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1cc(Br)ccc1OCc1ccccc1 143445233 BSAHUMPLCPZMJU-UHFFFAOYSA-N 416.702 5.934 0 40 HKAB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1C 214897807 KZRDNZLRHFVWNS-LICLKQGHSA-N 418.312 5.003 0 40 HKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2c(F)cccc2Cl)C1=O 215268746 XAINZUZIUYKOCJ-MDBUFAAASA-N 419.905 5.893 0 40 HKAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc(C)c1Br 218839632 VOBMNUNALWEXJZ-INIZCTEOSA-N 418.375 5.620 0 40 HKAB O=C(c1cccc(OCc2ccccc2)c1)N(Cc1ccccc1)Cc1ccccc1 218975522 VKQSZUGMIIWYOV-UHFFFAOYSA-N 407.513 6.108 0 40 HKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223106960 RJCCLYCDGAGBDI-ZEQRLZLVSA-N 416.594 5.486 0 40 HKAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(N2CCCCCC2)nc1 223911857 GBEFEEFDDRXWTN-UHFFFAOYSA-N 406.555 5.209 0 40 HKAB CCc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(Cl)c(C)c3)c2)cc1 224203865 MQMDXEMXZGLJHG-UHFFFAOYSA-N 409.913 6.051 0 40 HKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C 224275599 FQGBGBJLZRHRKS-VWLOTQADSA-N 420.597 5.021 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccc(C)c(C)c1 224620899 WATQXIQVRDLVEH-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1c1ccc(OC2CCCC2)cc1 225360974 HECOVLDMSXXYOV-YADHBBJMSA-N 421.591 5.642 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1Cl 225552746 IYXOTMLEJWAGSJ-UHFFFAOYSA-N 406.353 6.623 0 40 HKAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(Br)c(Cl)c1 225582322 RRZNOIBJECVDHH-AWEZNQCLSA-N 418.832 5.044 0 40 HKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225703441 DQUKBRSWNMMQOT-XMMPIXPASA-N 404.595 5.255 0 40 HKAB COc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cc1OC 225850133 XAAGCRQPUFXPRI-UHFFFAOYSA-N 418.990 5.589 0 40 HKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 408674812 CTRUMBZHLPKLQW-UHFFFAOYSA-N 422.406 5.755 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@@H](c2ccccc2)N3)cc1C 409131725 JQWRPMXXUZANHG-GOZGONJHSA-N 422.572 6.852 0 40 HKAB O=C1S/C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1CCc1ccccc1 409212212 NYUMUIMUKZCMOD-HAVVHWLPSA-N 415.514 5.545 0 40 HKAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H](C)Oc1ccccc1 409349824 WGRQMGUGVJQJPI-ZDUSSCGKSA-N 408.354 6.037 0 40 HKAB CN(C)[C@@H](CNC(=O)Nc1ccccc1C(F)(F)F)c1csc2ccccc12 575619506 GGPRIZWEDIUYHH-KRWDZBQOSA-N 407.461 5.345 0 40 HKAB Cc1ccc2c(c1)Cc1cccc(c1)CN(Cc1cncc(F)c1)CCCCCO2 643579561 GGZWPHJQJSCPFL-UHFFFAOYSA-N 404.529 5.685 0 40 HKAB CCc1ccc(CN2CCCCCOc3ccc(C)cc3Cc3cccc(c3)C2)cc1 643579682 HOMFRROEPFVNLK-UHFFFAOYSA-N 413.605 6.713 0 40 HKAB C[C]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@H](C)CN2 1560408792 KMYIVNDDDBCTBO-RIHAIFAZSA-N 414.654 5.325 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 644904 RKSBHIPNNVRUNE-UHFFFAOYSA-N 410.189 5.980 0 40 HKAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc5c6c(cccc46)CC5)cc3n2)cc1 667101 HRYQHWFBSXPFIV-UHFFFAOYSA-N 404.473 5.233 0 40 HKAB CCOc1ccc(NC(=S)N2CCC[C@H](c3nc4cc(C)c(C)cc4[nH]3)C2)cc1 1350055 IZWCIOQEOROIIE-KRWDZBQOSA-N 408.571 5.155 0 40 HKAB O=C(Nc1ccccc1)c1cc(Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 1396460 MEMIDRSKGNRTJB-UHFFFAOYSA-N 407.684 5.109 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1nc(-c2sccc2Br)cs1 1403081 DLABTXPDYBHNCW-UHFFFAOYSA-N 414.737 5.932 0 40 HKAB CCc1c(Cc2[nH]c(Cc3[nH]c(C=O)c(C)c3CC)c(CC)c2CC)[nH]c(C=O)c1C 1633041 RONOMZLUTLYJTD-UHFFFAOYSA-N 421.585 5.344 0 40 HKAB CC(C)COc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 1863962 OGSNMDIDSZJQJE-UHFFFAOYSA-N 420.475 5.983 0 40 HKAB Cc1ccc(-c2nc(C(=O)NCCc3ccc(F)cc3)cc3c2[nH]c2ccccc23)cc1 2134704 LDYADHJAFBCMQE-UHFFFAOYSA-N 423.491 5.803 0 40 HKAB biogenic CCSc1nc2c(c(=O)n1Cc1ccccc1)C(CC)(CC)Cc1ccccc1-2 2269625 XLLIPNBMYPWKKK-UHFFFAOYSA-N 404.579 5.685 0 40 HKAB CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)cc1 2668902 VRKPPYREGYAYQJ-JOCHJYFZSA-N 410.605 7.558 0 40 HKAB CCCc1cc(=O)oc2cc(OCc3cc4c(cc3Cl)OCO4)c(Cl)cc12 3220013 VYNHGJQEJRZADK-UHFFFAOYSA-N 407.249 5.360 0 40 HKAB COc1ccc(C(=O)[C@H](Sc2nnc(-c3ccco3)o2)c2ccc(OC)cc2)cc1 3252467 KRZSSNTZCXVHGB-HXUWFJFHSA-N 422.462 5.063 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc5c(c4)OCO5)cc3)sc2c1 3325358 FXJYUZNIKQDFKS-UHFFFAOYSA-N 418.474 5.018 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cs1 3443275 NCJZLRXVLVXKLE-LBPRGKRZSA-N 404.944 5.591 0 40 HKAB O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1c(Cl)cccc1Cl 3621886 BUIWWRBOUXCRSY-UHFFFAOYSA-N 414.288 5.380 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)c3ccccc3OC)cc12 4158670 VFGHIWBGVKLHNO-UHFFFAOYSA-N 416.429 5.504 0 40 HKAB biogenic CCCc1nc(SCC(=O)Nc2c(C)cc(C)cc2C)c2c(C)c(C)sc2n1 4241103 JDMFHALSYKLCLV-UHFFFAOYSA-N 413.612 5.917 0 40 HKAB Cc1cccc(C)c1OCCCn1c([C@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 4910913 ZMHSVIRDUDCMOP-FQEVSTJZSA-N 419.569 5.237 0 40 HKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2cccnc2)cc1 4914287 VXIGITDVCSYTLA-QFIPXVFZSA-N 400.869 5.183 0 40 HKAB c1ccc([C@@H]2Cc3c(sc4ncn5cnnc5c34)[C@H](c3ccccc3)S2)cc1 5100840 GFVDKRAILRKFGN-HKUYNNGSSA-N 400.532 5.459 0 40 HKAB Clc1ccc(CSc2nnc(-c3cc4c(s3)-c3ccccc3CC4)o2)cc1 5776017 RTMZJWIQVWMQKR-UHFFFAOYSA-N 410.951 6.509 0 40 HKAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1sc2ccccc2c1Cl 5884603 VVMAMUWPXJSSGD-UHFFFAOYSA-N 401.915 5.149 0 40 HKAB O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCC(Cc2ccccc2)CC1 5946830 KKPNVLZVLQDOOK-RUZDIDTESA-N 401.575 6.001 0 40 HKAB O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1 6148011 ILXYISLXEJVQFM-UHFFFAOYSA-N 418.305 5.338 0 40 HKAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2ccc(Cl)cc2)o1 6268986 MJFIYDJYZBVLRR-UHFFFAOYSA-N 415.320 6.496 0 40 HKAB Cc1cc(C)c2nc(SCC(=O)c3cc(C)n(C[C@H]4CCCO4)c3C)cc(C)c2c1 6330283 YBNGKMUISOLAHX-HXUWFJFHSA-N 422.594 5.732 0 40 HKAB CCCCCC(=O)Nc1cc2nn(-c3ccc(N(CC)CC)cc3C)nc2cc1C 6417574 HOFJNITUAMPVCP-UHFFFAOYSA-N 407.562 5.402 0 40 HKAB Nc1ccc2nc(Cc3ccccc3)n(Cc3ccc(-c4ccccc4)cc3)c(=O)c2c1 6644128 ONMYCNBNSUHENS-UHFFFAOYSA-N 417.512 5.285 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](O)CCC[C@]4(C)[C@@H]3CC[C@@]21C 6693207 LPKKNVGOWXICRV-UOQQGDMVSA-N 402.707 7.859 0 40 HKAB CCc1ccc(-n2c(C)nnc2SCc2nc(-c3ccc(Cl)cc3)no2)cc1 6804361 QDPLGJUQKSFLRT-UHFFFAOYSA-N 411.918 5.134 0 40 HKAB Cc1[nH]c2ccccc2c1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)O 7603212 ODNRODCZTVLJIU-YVLHZVERSA-N 411.870 5.398 0 40 HKAB COc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N2CCCCC2)cc1 8613329 VGJBIBXECCWTQD-HSZRJFAPSA-N 420.553 5.324 0 40 HKAB COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3cccc(OC)c3)cc2O)cc1 8914464 LZGVSNHWSPTXJY-UHFFFAOYSA-N 418.449 5.171 0 40 HKAB O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)Nc1cc(Cl)ccc1Cl 9057064 ROWWREUEUDPGID-UHFFFAOYSA-N 423.303 5.558 0 40 HKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H](c2ccc(F)c(F)c2)N1 9090597 PKHWOGWKDZKXIO-NRFANRHFSA-N 419.456 5.497 0 40 HKAB Clc1ccc(CSc2nnc(-c3ccccc3)n2Cc2ccco2)c(Cl)c1 9498774 VEXUWICGOHZCIB-UHFFFAOYSA-N 416.333 6.186 0 40 HKAB Clc1cccc(Cl)c1CNc1n[nH]c(NCc2c(Cl)cccc2Cl)n1 9847124 AJNBBCKHZDZYKG-UHFFFAOYSA-N 417.127 5.643 0 40 HKAB O=C(CSc1ccc2ccccc2c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9912010 DJFPXJVMHKYEQB-OAQYLSRUSA-N 405.519 5.067 0 40 HKAB Cc1ccc(CSCCNC(=O)c2ccccc2SCc2ccccc2)cc1 10338305 DVEPTDAHYYRXGV-UHFFFAOYSA-N 407.604 5.951 0 40 HKAB CCn1nccc1C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CC[C@@H](C)C2 11695983 BHGBPHNVBUVYDR-CYBMUJFWSA-N 422.579 5.618 0 40 HKAB Cc1cc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1Cl 11916656 HQKOSSXEIZNAHC-OAHLLOKOSA-N 414.958 5.432 0 40 HKAB O=C(Cc1ccccc1)Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1 12376212 WFBWIOVACOYJGI-UHFFFAOYSA-N 424.287 5.892 0 40 HKAB Cc1ccc(Nc2nc(CSc3ncc(C(F)(F)F)cc3Cl)cs2)cc1 12598789 JEKSSIUDXCNWFO-UHFFFAOYSA-N 415.893 6.555 0 40 HKAB O=C(CCSCc1ccc(C(=O)O)cc1)Nc1ccccc1Oc1ccccc1 12743449 RYQADRLBTGZAFM-UHFFFAOYSA-N 407.491 5.439 0 40 HKAB Cc1ccc(NC(=O)[C@H](NCc2c(C)nn(-c3ccccc3)c2C)c2ccccc2)cc1 12812762 BZPSPWIHOFKNBZ-AREMUKBSSA-N 424.548 5.267 0 40 HKAB CCCCOC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)OCCCC 13562975 OXFFYCMTRGFSGY-ULBZPVTCSA-N 406.522 5.196 0 40 HKAB Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)c1ccc(C(C)(C)C)cc1 15783775 BGQWTFCZOTXIFH-UHFFFAOYSA-N 412.986 6.042 0 40 HKAB CCOC(=O)Cn1nc(-c2ccc(C)cc2)c(Br)c1-c1ccc(C)cc1 17089473 MNBPXZSGRLLJNX-UHFFFAOYSA-N 413.315 5.160 0 40 HKAB Cn1c(C(=O)NC2CCCCC2)c(-c2ccc(Cl)cc2)c2cc(Cl)ccc21 19894316 SAGBCELFPGMMRD-UHFFFAOYSA-N 401.337 6.215 0 40 HKAB Cc1ccccc1[C@@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccccc1 19932982 GPWXXJYWJCCHNY-QHCPKHFHSA-N 413.945 5.927 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 20043346 XKOACZWTKQCTHK-FQEVSTJZSA-N 423.409 5.521 0 40 HKAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 20110903 ZMUQMCLYCCTSRS-LJQANCHMSA-N 416.370 5.209 0 40 HKAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccccc1Br 20137831 BIVQJZYIAUWVNP-UHFFFAOYSA-N 406.663 5.107 0 40 HKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1c(Cl)ccc2nsnc12 21596064 MKFBEZJTTLQSJT-UHFFFAOYSA-N 401.919 5.410 0 40 HKAB CC(=O)C[C@@H](c1ccccc1)c1c(O)c2ccc(OCc3ccccc3)cc2oc1=O 22051446 VWMPIXQSCDHVKC-QFIPXVFZSA-N 414.457 5.189 0 40 HKAB in-vitro Cc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4ccccc4Cl)c3)no2)c1 33327263 YJMIYRBERZQGID-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 33600470 VUSJLAIRIGUZOY-HXUWFJFHSA-N 412.411 5.205 0 40 HKAB COc1ccc(C(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCCC4)cc1 35325875 HGYAMDRCBZLULK-UHFFFAOYSA-N 406.429 5.016 0 40 HKAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCc3ccccc3C2)cc1Cl 35529847 KLBODHUJHNBQGU-HSZRJFAPSA-N 406.913 5.087 0 40 HKAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc4oc(-c5ccccc5)cc4c3)c12 36616976 VOBITIQOYAHSTK-UHFFFAOYSA-N 422.488 5.820 0 40 HKAB CCCNC(=O)Nc1nc(C23C[C@H]4C[C@H](CC(c5ccc(C)cc5)(C4)C2)C3)cs1 36625094 YPDRVCJKCVJVLY-ISVJADKWSA-N 409.599 5.773 0 40 HKAB Cc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)c3c[nH]c4ccccc34)nc12 38840271 QLSHBODYASDCEG-MRXNPFEDSA-N 405.523 5.220 0 40 HKAB CCc1nn2c(nnc3c(=O)n(C4CCCCCC4)ccc32)c1-c1ccc(Cl)cc1 40395911 PLUXHKCDVFBZKY-UHFFFAOYSA-N 421.932 5.217 0 40 HKAB COc1ccc(Cl)cc1NC(=O)COc1ccc2ccccc2c1Br 59210995 PXWSPTUYFCQQNM-UHFFFAOYSA-N 420.690 5.282 0 40 HKAB O=c1c2sccc2nc(SCc2ccncc2)n1CCc1ccc(Cl)cc1 71327670 IOISHNHNJOCVLM-UHFFFAOYSA-N 413.955 5.041 0 40 HKAB Cc1nn(Cc2ccccc2)c(Cl)c1CN[C@@H](c1nc2ccccc2[nH]1)C(C)C 72276804 XMDFUQTWFDBKHW-OAQYLSRUSA-N 407.949 5.256 0 40 HKAB CCn1ccnc1[C@H](CCc1ccccc1)OC(=O)c1csc(-c2ccoc2)n1 72314162 WKRYFVGIJXSVQJ-IBGZPJMESA-N 407.495 5.150 0 40 HKAB O=C(c1cccnc1Oc1cccc(Br)c1)N1CCCc2ccccc21 84581957 FHXQMINPSQEVAA-UHFFFAOYSA-N 409.283 5.229 0 40 HKAB O[C@@H](c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)C(F)(F)F 96032717 IWFBCRPQDKFBPC-QFIPXVFZSA-N 408.423 5.319 0 40 HKAB Cn1c(=O)c(C(=O)C[C@@H](Sc2ccccc2)c2ccccc2)c(O)c2ccccc21 100362339 PJVUBIULUDDBIY-JOCHJYFZSA-N 415.514 5.351 0 40 HKAB Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)c1 100664048 VOVSFTFOXZXHLQ-IRXCLELFSA-N 413.517 5.468 0 40 HKAB CCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 103718385 GWTWUBOLSIOYDO-CQSZACIVSA-N 421.324 5.164 0 40 HKAB OC(c1ccccc1)(c1ccccc1)[C@@H]1/C(=C\c2ccccc2)[C@H]1Cc1ccccc1 104095592 FLLRDUYIVVAICX-KJQAZJBFSA-N 402.537 6.495 0 40 HKAB CC1=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)[C@@]2(C)CC[C@@H]1O 118931111 BWKFEXIGKBCPIS-XJLJMEKPSA-N 400.691 7.779 0 40 HKAB Cc1cc(OCC(=O)NCCSCc2c(F)cccc2Cl)cc(C)c1Cl 218919355 AXWBRSTWEGGPMZ-UHFFFAOYSA-N 416.345 5.178 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)CSCc2cccc(Cl)c2)c2ccccc2O1 222847294 STTBYAJWURDLSS-LJQANCHMSA-N 403.975 5.772 0 40 HKAB CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 223077036 WTFUPUUCUATYTG-HXUWFJFHSA-N 412.382 5.443 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1Cc1ccccc1 223404116 FWBWGZCBQMZSET-DNQXCXABSA-N 416.594 5.561 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2O1 223961543 WSGNYIBGXVMQMY-FDDCHVKYSA-N 407.554 5.532 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(CN2CCCCC2)c1 224683244 PVTNGJQHKBOQSV-SANMLTNESA-N 416.565 5.300 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1COC(C)C 224716848 WOFVMHSDXUGLAG-UHFFFAOYSA-N 410.283 5.164 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225108816 HEAWLWRLXJLSJV-MRXNPFEDSA-N 406.960 5.246 0 40 HKAB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)Nc1ccccc1Cl 225337979 OHNKNJFPCFZLCN-UHFFFAOYSA-N 405.910 5.707 0 40 HKAB O=C(CSc1c[nH]c2ccccc12)N1CCS[C@H](c2cc(F)ccc2F)CC1 225743784 PDRRBXVNBBHCMH-IBGZPJMESA-N 418.534 5.245 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2ccccc12 225776963 XEMVGEKDSADWCA-UHFFFAOYSA-N 421.512 5.701 0 40 HKAB CC(C)CC(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)(C(=O)NC(C)C)CC1 257240812 HVHJYZJVXOWCIS-UHFFFAOYSA-N 420.597 5.076 0 40 HKAB Cc1cc(CCCC(=O)N2CCC[C@H]2c2ccc(Cc3ccccc3)cn2)ccc1F 257257172 KOIVKHGNMSHSTH-SANMLTNESA-N 416.540 5.806 0 40 HKAB Cc1ncsc1C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257299942 RSGVIODHFGZPEC-KRWDZBQOSA-N 401.919 5.051 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(C)c(C)c2)c1 408696341 AAHDJVIGJNQBOS-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB CCCCCCC(=O)Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 408974281 DUNAZCYJIQQQON-UHFFFAOYSA-N 410.517 6.840 0 40 HKAB CCOc1ccc(NCc2cccc(OCc3ccc(Br)cc3)c2)cc1 409119763 UDWAFYDXOVEZRC-UHFFFAOYSA-N 412.327 6.039 0 40 HKAB S=C(Nc1ccc(Cl)cc1)c1c(Nc2ccccc2)n[nH]c1Nc1ccccc1 575442849 GJRJEIYGILIVPO-UHFFFAOYSA-N 419.941 6.338 0 40 HKAB O=C(N1CCC(Cc2ccccc2)CC1)N1c2ccccc2Sc2ccccc21 638619 NULGAUVYLVFLMA-UHFFFAOYSA-N 400.547 6.364 0 40 HKAB Cc1ccc(-c2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)cc1 863291 PGMMRSOIOPTZFU-UHFFFAOYSA-N 401.491 5.502 0 40 HKAB CCOC(=O)c1cccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C)c1 915630 OGRDCSHGRMSLSW-UHFFFAOYSA-N 408.523 5.068 0 40 HKAB C[C@H]1CCCCN1C(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc12 922166 KSJKJHHOQVRHPB-AWEZNQCLSA-N 413.493 5.068 0 40 HKAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccccc23)cc1 976147 SHUDVQZMOJFUPX-UHFFFAOYSA-N 401.491 5.036 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1 1400118 TWUDLFSIKRBSLF-UHFFFAOYSA-N 420.818 5.130 0 40 HKAB COc1ccc(Oc2c(C)oc3cc(OC(=O)c4ccc(F)cc4)ccc3c2=O)cc1 1448161 DMWQNOYJCOLMQF-UHFFFAOYSA-N 420.392 5.261 0 40 HKAB biogenic COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(-c2ccco2)o1)c1ccccc1 2652433 WZSBQDIMEIJHOE-LJQANCHMSA-N 421.478 5.119 0 40 HKAB COc1cccc([C@H](Nc2ccccn2)c2c(-c3ccccc3)n(O)c3ccccc23)c1 2667936 BUVAWIJPNDAMSR-SANMLTNESA-N 421.500 6.151 0 40 HKAB CCOc1ccc2c(c1)c1nnc(-c3ccc(OC)cc3)c-1cn2Cc1ccccc1 2688706 GFPDCHRRMXORIA-UHFFFAOYSA-N 409.489 5.659 0 40 HKAB O=C(Nc1ccc(F)cc1)c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1 3239327 GQABMKVWHJYMOA-UHFFFAOYSA-N 423.394 5.532 0 40 HKAB C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@H](c1cccs1)N1CCCC1 3265083 SNXQPXANNGJLPP-KPZWWZAWSA-N 422.978 5.711 0 40 HKAB Brc1cccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)c1 3295794 QTODXHJEHFOEJL-UHFFFAOYSA-N 412.312 5.582 0 40 HKAB O=C(OCc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)nc2ccccc12 3314023 VBPKRLPSQUHIIS-UHFFFAOYSA-N 408.284 6.566 0 40 HKAB Cc1csc(SCc2ccccc2C(=O)NCc2cccc(C(F)(F)F)c2)n1 3351748 GVMNFJVVGPNIGN-UHFFFAOYSA-N 422.497 5.693 0 40 HKAB COc1ccc(Cl)cc1NC(=O)CNc1ccccc1CN(C)C1CCCCC1 3413502 KSCFAZBUAIMLBH-UHFFFAOYSA-N 415.965 5.164 0 40 HKAB Cc1ccc([C@]2(CC(=O)NCc3ccc(OC(C)C)cc3)CCO[C@H](C(C)C)C2)cc1 4044780 VCSJWHQCEMLEMY-AHKZPQOWSA-N 423.597 5.562 0 40 HKAB biogenic CC(C)CC(=O)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4078416 XXHZYVWEASTZQY-UHFFFAOYSA-N 409.599 5.585 0 40 HKAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(C)c2)n2c(nc3ccccc32)N1 4731524 NOSGYWUKDBBQPQ-HSZRJFAPSA-N 412.468 5.411 0 40 HKAB CCCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccccc3)cc12 4735812 ABNQMKJDYGDDLV-UHFFFAOYSA-N 415.511 5.197 0 40 HKAB O=C1C(Nc2ccc(Cl)cc2)=C[C@@H](c2cccc(F)c2)N1c1ccc(Cl)cc1 4854542 CHIOJYKYDDJNKL-NRFANRHFSA-N 413.279 6.216 0 40 HKAB Cc1cccc(C(=O)N(Cc2cc3cc(C)cc(C)c3nc2Cl)C2CCCC2)c1 4861294 SBFGRKLJTFGQLH-UHFFFAOYSA-N 406.957 6.398 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CN1Cc1ccccc1 4903637 BKCROMLWFMBCOL-FQEVSTJZSA-N 415.924 5.254 0 40 HKAB Cc1ccc(-c2nc(Nc3ccc(Cl)cc3Cl)sc2CC(=O)O)c(C)c1 5023202 AGEHZKIHRJRDRX-UHFFFAOYSA-N 407.322 6.104 0 40 HKAB CCOC(=O)CCCCCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2 5517997 STNUGJMBNKIZJB-UHFFFAOYSA-N 414.571 5.254 0 40 HKAB Cn1c(-c2ccccc2)c(C(=O)CSc2nnc3n2CCCCC3)c2ccccc21 6097172 BKCNDWDKPNLFLM-UHFFFAOYSA-N 416.550 5.138 0 40 HKAB O=C(COc1ccc(Cl)cc1Br)Nc1cccc(C(F)(F)F)c1 6153038 YZFBPCWMDUAVOS-UHFFFAOYSA-N 408.601 5.139 0 40 HKAB O=c1oc2ccc(Cl)cc2cc1-c1csc(Nc2cccc(C(F)(F)F)c2)n1 6444665 XCJUZFSSBKBSMO-UHFFFAOYSA-N 422.815 6.332 0 40 HKAB CCCCc1ccc(Nc2nnc(SCC(=O)N(C(C)C)C(C)C)s2)cc1 6508924 PSFXVWIUPQRVIJ-UHFFFAOYSA-N 406.621 5.362 0 40 HKAB COc1cccc(NC2=NN=C(c3cc(C)n(Cc4cccs4)c3C)CS2)c1 7849832 VIALUSRLRJWXRZ-UHFFFAOYSA-N 410.568 5.142 0 40 HKAB Clc1ccccc1-c1noc(CSc2nnc(NC3CCCCC3)s2)n1 9053671 ANLUPIUNHTYURJ-UHFFFAOYSA-N 407.952 5.278 0 40 HKAB CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(OCc2cscn2)cc1 9548829 NLLLROJRFCHZNJ-UHFFFAOYSA-N 406.507 5.303 0 40 HKAB CC(C)c1ccccc1NC(=O)CCc1csc(NC(=O)c2ccc(F)cc2)n1 11835156 WGSSZMOOBFCXHK-UHFFFAOYSA-N 411.502 5.229 0 40 HKAB COc1ccc2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)c3ccco3)cc2c1 12493896 OJPJYSRDTSYMAN-UHFFFAOYSA-N 424.859 5.472 0 40 HKAB O=C1C[C@@H](c2cccc(C(F)(F)F)c2)n2c(nc3ccccc32)N1Cc1ccccc1 12548803 CIHSXXMXMOEHAY-NRFANRHFSA-N 421.422 5.581 0 40 HKAB C=C1c2ccccc2C(=O)N1CC(=O)N(c1ccccc1)c1nc2ccccc2s1 12762715 OOGNNRNYEQMDML-UHFFFAOYSA-N 411.486 5.088 0 40 HKAB COc1c(Cl)cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1Cl 12917440 HUJMFEUPGRRXML-UHFFFAOYSA-N 421.349 5.632 0 40 HKAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(SC(F)F)cc2)cs1 12951326 GNIBBRSWCKZAMC-UHFFFAOYSA-N 406.479 5.598 0 40 HKAB Cc1ccc(Nc2nn(CN(C)Cc3ccccc3Cl)c(=S)s2)cc1C 13073790 YIWCQPFAAXMJHW-UHFFFAOYSA-N 404.992 5.777 0 40 HKAB Cc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1 13552940 XSUSGTXNAUHQJY-XNTDXEJSSA-N 417.306 5.627 0 40 HKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cccc(C)c3)n2CC)cc1 13871539 ZZKDOMCZRHTFCY-QGZVFWFLSA-N 424.570 5.040 0 40 HKAB O=C(Nc1ccccc1I)c1ccccc1Oc1ccccc1 14429677 UDXGBLICRJAEEG-UHFFFAOYSA-N 415.230 5.336 0 40 HKAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1ncc(Cl)c(Cl)c1Cl 14635648 IPUFKAUDJQEINZ-HNNXBMFYSA-N 415.704 5.762 0 40 HKAB Cc1ccc(Cn2nc(C)c(C(=O)N[C@@H](C)c3cc4ccccc4o3)c2Cl)cc1 14701485 KAPIVBKRQCWOOR-HNNXBMFYSA-N 407.901 5.439 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1 15229289 QBAXRMTXFODEHH-HHHXNRCGSA-N 422.503 6.500 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 15882856 PAWRRLZYYVFFIE-UHFFFAOYSA-N 420.818 5.130 0 40 HKAB COc1ccc(-c2nn(-c3ccc(C)cc3)c(-c3ccc(OC)cc3)c2Cl)cc1 17083074 CUMIUTVSTGWKEJ-UHFFFAOYSA-N 404.897 6.185 0 40 HKAB S=c1sc(SC[C@H]2CN[C@H](c3ccc(Cl)cc3)O2)nn1-c1ccccc1 23409335 QGVYENGYDQFOBU-CVEARBPZSA-N 422.000 5.096 0 40 HKAB O=C(c1ccccc1)C1CCN(Cn2c(=S)sc3ccc(Cl)cc32)CC1 24045750 LDOKIANMAYADCM-UHFFFAOYSA-N 402.972 5.638 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)CCN1CCN(Cc2ccsc2)CC1 24753902 VHHURTUBDHHADW-UHFFFAOYSA-N 413.631 5.141 0 40 HKAB Cc1ccc(F)cc1NC(=O)c1ccccc1OCc1nc(-c2ccccc2)no1 32578649 PSEHAFOKQZJTMB-UHFFFAOYSA-N 403.413 5.015 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)cc1 33379929 NHXJRNUANRWJRJ-CAZKKTPXSA-N 420.295 5.087 0 40 HKAB CC(C)n1c([C@H](C)NC(=O)c2cc(-c3ccc(Cl)cc3)on2)nc2ccccc21 35316988 NFKQHXINJJIWPC-AWEZNQCLSA-N 408.889 5.417 0 40 HKAB O=C1N/C(=C\c2cn(Cc3cccc(F)c3)c3ccccc23)C(=O)N1C1CCCCC1 39556218 MMKSPXVCNNOFBY-HMAPJEAMSA-N 417.484 5.054 0 40 HKAB Cc1ccc(-c2nc(COc3ccc(S(=O)(=O)c4ccccc4)cc3)co2)cc1 58416955 DJLQMAPEARBRHQ-UHFFFAOYSA-N 405.475 5.062 0 40 HKAB Clc1ccc(-c2cc3c(N4CCC(Cc5ccccc5)CC4)nccn3n2)cc1 67284744 WERACMBQPRIQFM-UHFFFAOYSA-N 402.929 5.509 0 40 HKAB Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)NC3CCCCC3)CC2)c1 72260004 BPYOMVXWGUNMOQ-RUZDIDTESA-N 405.586 5.053 0 40 HKAB CC(C)Cc1ccc(-c2nc(-c3ccc([C@@H](C)NC4CC(C(=O)O)C4)cc3)no2)cc1 72284436 JRZJZOSWCNBQFS-NYYVNYEXSA-N 419.525 5.116 0 40 HKAB CC(C)n1c([C@@H]2CCCN2CCC(=O)Nc2ccccc2Cl)nc2ccccc21 72308894 ITONPGMHGJITSW-NRFANRHFSA-N 410.949 5.436 0 40 HKAB Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3ccc4ncccc4c3)n2)s1 72375360 BHOBXWUIARXLEN-OAQYLSRUSA-N 401.539 5.475 0 40 HKAB Cc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@@H](c3cccc(C)c3)C2)cc1 95116694 NFHZXHDYLGRWRU-LJQANCHMSA-N 423.310 5.650 0 40 HKAB O=C(Nc1ccc(F)cc1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96037734 LNTGKRWVDYTFRR-UHFFFAOYSA-N 412.468 5.414 0 40 HKAB CC1(C)C[C@@H]2C[C@](C)(CN2c2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)C1 101246054 QKCZBQGNBAWCDZ-QRWLVFNGSA-N 409.883 6.221 0 40 HKAB CC1(C)CC(=C2C=C[C@H]3[C@H]2[C@@H]2C=C[C@H]3C2=C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1 101992665 JWTSWIHDBSKTDE-AZKZNFPZSA-N 406.658 6.079 0 40 HKAB Cc1cccc(N2C(=O)/C(=C\Nc3cc(Cl)cc(Cl)c3)c3ccccc3C2=O)n1 102328940 XUVHEKSKCNKNGY-UNOMPAQXSA-N 424.287 5.337 0 40 HKAB CC(C)C[C@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 105825754 IMTMMGXRAMGUDP-BCCVMWATSA-N 424.544 5.135 0 40 HKAB Cc1ccc(NC(=O)COc2cccc(CNc3ccc(Cl)cc3Cl)c2)cc1 113444982 CLCIZMIZCMILLC-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB COc1ccc(-c2cccc(CNCC3(c4cccc(F)c4)CCOCC3)c2)cc1 141529579 FSBAZFHJMGPJGX-UHFFFAOYSA-N 405.513 5.339 0 40 HKAB Cc1cc(C)c2[nH]c(C)c(CC(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)c2c1 141536387 LPPHXYRFLUTCPM-LJQANCHMSA-N 403.570 5.649 0 40 HKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 223061654 KNFHCPDAAHSWGP-SFHVURJKSA-N 413.568 5.243 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1C1CCCCC1 223081795 RKUOJEKHFPWLBT-IAGOWNOFSA-N 422.417 5.211 0 40 HKAB CCCSc1nnc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)s1 223312488 OHGTYANRZBQTPZ-UHFFFAOYSA-N 419.959 5.525 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223344990 DYKGPIUYJUTCGE-DVECYGJZSA-N 419.565 6.315 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223345069 REOJBBWOFDWEDZ-UQBPGWFLSA-N 419.565 6.315 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1CSc1ccc(C)cc1 224339712 WZEWXRMJOSLMIG-UHFFFAOYSA-N 405.519 5.751 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1ccc(C)cc1 224465852 OFPAOEOIIIJWCY-UHFFFAOYSA-N 403.522 6.096 0 40 HKAB Cc1ccc([C@H](NC(=S)Nc2ccc(Br)c(C)c2)C(C)C)c(C)c1 225764388 JDLPDAWHXBSVDG-LJQANCHMSA-N 405.405 6.058 0 40 HKAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H](C)c3ccccc3)CC2)n1 257240704 HUTFNZIQEOLAHD-LEDOBFOHSA-N 414.553 5.041 0 40 HKAB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4cccnc4Cl)ccc3o2)cc1 408619373 BMYPLDWCMOPPEK-UHFFFAOYSA-N 405.885 6.093 0 40 HKAB Cc1cccc(Cl)c1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 408696475 BRSMGKVADDOCDJ-UHFFFAOYSA-N 424.838 5.427 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(C)c3)n2)cc1 408697390 GYDPADUYDFKWJE-UHFFFAOYSA-N 414.484 5.505 0 40 HKAB COc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)cc3)n2)c1 408697786 JLCQCKURBVRGBY-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 408705866 OZHXYCUWBUKQIM-LBPRGKRZSA-N 418.773 5.464 0 40 HKAB CCCc1sc(NC(=O)c2cccc(F)c2)nc1-c1ccc(Cl)c(Cl)c1 408830612 YSSIDRGKJWWTDQ-UHFFFAOYSA-N 409.313 6.461 0 40 HKAB COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1C 408868805 BKSQEUZPLPRBFO-YVLHZVERSA-N 418.312 5.003 0 40 HKAB CC(C)CN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)c2ccccc21 409119437 PIMQZDGGHGPNPX-HAHDFKILSA-N 417.936 6.462 0 40 HKAB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CCCc2ccccc2)C1=O 409148485 PYAIVFFFKSCOPY-HAVVHWLPSA-N 417.530 5.908 0 40 HKAB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2cccc(Cl)c2)n1 409385099 JCPHPLJUURBZAJ-UHFFFAOYSA-N 404.322 5.490 0 40 HKAB CCOc1ccccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 646319 CPKOGJIQLLHNPN-UHFFFAOYSA-N 423.321 5.533 0 40 HKAB CCOc1ccc2nc(NC(=O)CC(c3ccccc3)c3ccccc3)sc2c1 682993 PFJVTWMLSYQHIQ-UHFFFAOYSA-N 402.519 5.856 0 40 HKAB Cc1cc2cccc(C)c2nc1SCC(=O)N(C)c1nc(-c2ccccc2)cs1 932901 RYNPZCQQGBGWHO-UHFFFAOYSA-N 419.575 5.730 0 40 HKAB aggregator Cc1ccc(-c2ccc(-c3cc(C(=O)O)c4ccccc4n3)o2)c(Br)c1 934721 UWFFDTSLVUKDBG-UHFFFAOYSA-N 408.251 5.931 0 40 HKAB O=C(COC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1)Nc1ccccc1 957191 DZJPEZALNHGBCW-XNTDXEJSSA-N 421.880 5.114 0 40 HKAB Cc1ccc2cc(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCC3)c(=O)[nH]c2c1 1224239 ATUAIRVNZHXARD-SFHVURJKSA-N 419.594 5.217 0 40 HKAB Cc1nn(C)c(C)c1Cc1ccc(OC(=O)Nc2cccc(C(F)(F)F)c2)cc1 1390852 SDVXOUOOBLTDTN-UHFFFAOYSA-N 403.404 5.257 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CN1c1ccccc1 1448238 YZTNCSLPACZILI-MRXNPFEDSA-N 419.887 5.398 0 40 HKAB CC(C)c1nc2sc3c(SCc4ccccc4)ncnc3c2c2c1CCCC2 1759757 RSSVYRKWFQUCSJ-UHFFFAOYSA-N 405.592 6.534 0 40 HKAB CCCc1oc2cc(OC(C)C)c(CC)cc2c(=O)c1-c1ccc2c(c1)OCCCO2 2029167 DHCRHJWVABIBQU-UHFFFAOYSA-N 422.521 5.923 0 40 HKAB biogenic CCN(CC)CC[C@@H](CNc1ccnc2cc(Cl)ccc12)c1ccc(OC)cc1 2042679 ONWXIFYYIJRKRF-IBGZPJMESA-N 411.977 5.824 0 40 HKAB O=C(Nc1ccccc1)Nc1cccc(Nc2nc(Cl)nc(Cl)c2Cl)c1 2154719 KAYKHEZNADWHTP-UHFFFAOYSA-N 408.676 5.824 0 40 HKAB C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1 2251754 RWYZFTRQASMXEN-OAHLLOKOSA-N 407.853 5.021 0 40 HKAB O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 3037904 AKLCRXHBRPAYSQ-UHFFFAOYSA-N 419.267 6.377 0 40 HKAB CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cccc(Oc2ccccc2)c1 3234343 JFMFBNSQOMZFNS-UHFFFAOYSA-N 404.466 5.340 0 40 HKAB Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2ccccc2OC(F)F)cc1 3283881 TWGITRGRDGLSNQ-UHFFFAOYSA-N 411.404 5.059 0 40 HKAB CCCCCCOc1ccccc1/C=C/[C@]12NC(=O)CN1c1ccccc1C2(C)C 3999931 JYGKOMQEUOILDF-ZOGILVBSSA-N 404.554 5.283 0 40 HKAB biogenic Cc1ccc([C@@]2(CCNCc3ccc(OC(C)C)cc3)CCO[C@H](C(C)C)C2)cc1 4043140 XCCHMKUUKILYOF-SVBPBHIXSA-N 409.614 6.035 0 40 HKAB biogenic CC(=O)OC/C=C1\CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 4104857 YARSPKDZIPZAQS-LBPAHBPUSA-N 400.559 5.370 0 40 HKAB biogenic,in-vitro Cc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CSC3)c(C)c1 4176112 YMPYUNREGKXORF-UHFFFAOYSA-N 401.894 5.281 0 40 HKAB OC(c1ccc(Br)cc1)(c1cccc(Cl)c1)c1cccc(Cl)c1 4241544 AOFJKERAGUXGMZ-UHFFFAOYSA-N 408.122 6.040 0 40 HKAB Clc1ccc(N2N=C(/C=C/c3cccs3)C[C@@H]2c2cccs2)cc1Cl 4256227 MDZWWCKQJLEFFS-SUQGKYDKSA-N 405.375 7.137 0 40 HKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2Cl)cc1 4311382 RVXTVGBYGDFFIX-FYYLOGMGSA-N 409.316 6.544 0 40 HKAB C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NCc1ccco1 4413753 KCHUFJUGHZDSNA-INIZCTEOSA-N 404.491 5.399 0 40 HKAB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccccc4C)c3)nc2c1 4699575 ZFJRZMBMUMZSJP-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB O=C(Nc1ccccc1C(=O)OCc1coc(-c2cccs2)n1)c1ccccc1 5212175 YBYMKQPKMSEESG-UHFFFAOYSA-N 404.447 5.012 0 40 HKAB COc1ccccc1-n1c(SCc2ccc(Cl)cc2)nc2ccccc2c1=O 6035262 AWQBYETYIBIUIG-UHFFFAOYSA-N 408.910 5.340 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 6323477 KFYXQMDNMYVUNN-UHFFFAOYSA-N 420.965 7.167 0 40 HKAB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccc(C(C)C)cc1 6348250 HHNUVLKBRFBOGC-BKUYFWCQSA-N 407.535 5.409 0 40 HKAB CCCSc1ncc(Cl)c(C(=O)N(Cc2ccccc2)Cc2ccco2)n1 6810534 BBQOTBIPNMAIQQ-UHFFFAOYSA-N 401.919 5.068 0 40 HKAB Cc1ccc(-c2nnc(SCc3cc(Cl)c4c(c3)OCCCO4)o2)cc1C 7151070 MOVXLDPJYPCPTL-UHFFFAOYSA-N 402.903 5.460 0 40 HKAB COc1cccc(CN[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1 7654126 LDFPBPCQTSCQHI-OAQYLSRUSA-N 414.427 5.184 0 40 HKAB Cc1nc2ccccc2c(C)c1CC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 7718883 FICPSIHZDXVWGL-UHFFFAOYSA-N 416.521 5.094 0 40 HKAB COc1cccc(/C=C/C(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1OC 7947246 BJRFDLMTAXBMIO-MHNQQFQPSA-N 411.548 5.014 0 40 HKAB C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4cc(Cl)ccc4N4CCCC4)cc3c2C1 7986975 GAEPEPSNCXGLPS-HNNXBMFYSA-N 407.945 5.799 0 40 HKAB Clc1cccc(-n2cc(-c3ccccc3)c3c(NCc4cccnc4)ncnc32)c1 8323767 PXTIGRZUMJSNLI-UHFFFAOYSA-N 411.896 5.748 0 40 HKAB CCCn1c(C)cc(C(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)o2)c1C 9120136 KDCJKFNOAKNMAB-UHFFFAOYSA-N 421.469 5.141 0 40 HKAB Cc1ccc(C)c(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccs2)c1 9209842 YEYWTCSDVVXAQX-UHFFFAOYSA-N 402.519 5.362 0 40 HKAB COc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)cc2C)c1 9272194 BZKRIVQRDDXUTI-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB CCCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(OC)cc2)[nH]c2ccccc12 9355450 XJOGYXJPCUJBSF-AREMUKBSSA-N 410.517 6.189 0 40 HKAB CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(NC(C)=O)cc2)cc1 9422888 JNNAIJLCCJQJKQ-JOCHJYFZSA-N 403.507 5.138 0 40 HKAB O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1 9425560 BZTVLCHDIIXWGL-AWNIVKPZSA-N 419.278 5.909 0 40 HKAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCc2sccc2[C@@H]1c1cccs1 9501866 DITSWUINHOQCAT-NKOINVLESA-N 423.559 5.158 0 40 HKAB O=C(Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1cccc(Cl)c1 9934689 CEPGEZDHNPUKHC-UHFFFAOYSA-N 417.679 6.707 0 40 HKAB Cc1cc(C)c2nc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)sc2c1 10066181 OZOZISVAGMMKRA-UHFFFAOYSA-N 403.551 5.275 0 40 HKAB Cc1c(Cl)ccc2sc(N(C[C@H]3CCCO3)C(=O)c3cccc(Cl)c3)nc12 11159022 QWMZLPJFHMFESE-OAHLLOKOSA-N 421.349 5.737 0 40 HKAB COc1ccc2sc(Nc3nc(-c4cc(Cl)sc4Cl)cs3)nc2c1 12141023 XVAJGYMXTZUDBT-UHFFFAOYSA-N 414.364 6.540 0 40 HKAB Cc1ccc(-n2nc(-c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cc2O)cc1 12345980 RKYVCCOKOZTLOY-UHFFFAOYSA-N 403.869 5.459 0 40 HKAB Cc1cccc(C)c1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O 12627857 ICIUJKUCVMZMDX-HXUWFJFHSA-N 413.496 5.361 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1 13937875 QVFWYKSUDLYTTA-UHFFFAOYSA-N 411.367 5.450 0 40 HKAB CCN(CC)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1 14359049 QPQBJGGSNUIWNT-NTCAYCPXSA-N 424.342 5.183 0 40 HKAB COc1ccc([C@@H]2C[C@]23CCC[C@@]2(C[C@@H]2c2ccc(OC)cc2OC)C3=O)c(OC)c1 15885480 NLWKUVKXSDFLCE-IEODJRFGSA-N 422.521 5.122 0 40 HKAB biogenic COc1cc(CNCc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 16196270 MHGVWFHRDXLAKN-UHFFFAOYSA-N 420.311 6.010 0 40 HKAB CC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 16757889 DHCQVASLPLHVEU-OAHLLOKOSA-N 407.926 5.811 0 40 HKAB O=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccccc1Cl 22072620 PXVSGRSVWCBBIL-UHFFFAOYSA-N 402.679 5.493 0 40 HKAB Cc1ccc([C@@H](NC(=O)c2cccc(OCc3ccccc3)c2)c2ccccc2)cc1 22510287 HJVOHWZCDIFBSN-MHZLTWQESA-N 407.513 6.093 0 40 HKAB O=C(COc1ccccc1)Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 32623213 BAULXYSGURIRBH-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB COc1ccc(Cn2c(C)nc3cc(NC(=O)c4ccc(Cl)cc4)c(C)nc32)cc1 35288558 AUJJBCWOQOONAJ-UHFFFAOYSA-N 420.900 5.011 0 40 HKAB FC(F)(F)c1ccc(CN2CC[C@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc1 35446716 LNZAMZUGIYSHKJ-ZDUSSCGKSA-N 413.365 5.590 0 40 HKAB biogenic,in-vitro Cc1ccc(Nc2c(-c3ccc(N(C)C)cc3)nc3cnccn23)c(Br)c1 35622707 AFLJOMNHNSURJX-UHFFFAOYSA-N 422.330 5.277 0 40 HKAB CSc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 36869799 BQUMUNVHGDLYFP-HXUWFJFHSA-N 400.594 5.118 0 40 HKAB CC(C)(C)[C@@H](NCn1nc(-c2cccs2)n(C2CC2)c1=S)c1cccs1 40155518 CANMQCVHKNPSDF-INIZCTEOSA-N 404.630 5.873 0 40 HKAB COc1ccc(C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccc(Cl)cc2)cc1 40485513 KLSFJKSQYWJURM-QFIPXVFZSA-N 423.871 5.541 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 44937241 KTOJGGBXVUOWDC-VWLOTQADSA-N 408.586 5.119 0 40 HKAB Cc1ccc(COc2ccccc2/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1 59195375 RAGLFBPJJJLBKD-STZFKDTASA-N 403.865 5.572 0 40 HKAB CC1CCN(c2cc(NC(=O)c3cc(Cl)ccc3Cl)c(Cl)cc2N)CC1 72229420 ZWDLARXCLFERML-UHFFFAOYSA-N 412.748 5.718 0 40 HKAB CCC1CCC(N(C(=O)[C@H](C)c2c(C)noc2C)[C@H](C)c2ccc(F)cc2)CC1 72283492 ZKCXFQKVLPUVPF-CWYLHAJTSA-N 400.538 6.093 0 40 HKAB Cc1ccc(F)c(C(=O)Nc2ccccc2[C@@H](C)NC(=O)c2cc(C)ccc2F)c1 95451279 OXNMQNCAIJPPKG-MRXNPFEDSA-N 408.448 5.325 0 40 HKAB CCCCc1ccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(n2cnc(Cl)n2)(C4)C3)cc1 102834193 SLZOIJGFWZVJJJ-YUOVDFJASA-N 412.965 5.208 0 40 HKAB C[C@H]1CC[C@H]([C@@H](C)[C@H]2[C@H](O)C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)NC1 118932689 PNCADIYJKRZFGU-FLCGVFMCSA-N 417.678 5.001 0 40 HKAB C[C@H]1CCc2c(-c3ccccc3)nc3oc(C(=O)c4ccc(Cl)cc4)c(N)c3c2C1 170622708 NVJZVQYSAQDKBP-AWEZNQCLSA-N 416.908 6.086 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1C[C@@H]1C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 200136675 OKUZYZZYXCUVKO-YOWSCNIESA-N 406.607 5.631 0 40 HKAB O=C(CSCc1ccccc1F)NCCSCc1c(Cl)cccc1Cl 222700368 BAYIINQUGHCBPQ-UHFFFAOYSA-N 418.386 5.415 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1Cl 222841585 WWHQIECQQCMGEW-KRWDZBQOSA-N 411.954 6.347 0 40 HKAB C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 222992841 CYOSFXFDJUIMNR-FDDCHVKYSA-N 410.989 5.308 0 40 HKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(C)cc2)CC1)c1ccc2c(c1)CCCC2 223103411 XZJJCTXBASVCQG-SANMLTNESA-N 404.598 5.353 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(OCc2ccccc2)cc1 225348281 XTGUBDWEYYQPMV-UHFFFAOYSA-N 400.305 6.144 0 40 HKAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)C1(c2ccccc2)CCCC1 225629304 CWWDCGGRYWNADF-UHFFFAOYSA-N 408.394 5.855 0 40 HKAB COC(=O)c1ccc(Cl)c2c1[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 247818921 HHZFLHSBVLSEEI-ZPWLUDHSSA-N 411.885 5.121 0 40 HKAB CC(C)n1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@@H]56)[C@@H]43)cc21 257198784 IFQVDHKHKVDYQC-CONSUNNSSA-N 417.597 5.257 0 40 HKAB CC(C)[C@@H]1O[C@@H]2c3ccc(C(=O)O)cc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(Cl)cc1 257269315 MPLJYQFFAQQTBN-XMGTWHOFSA-N 414.929 6.095 0 40 HKAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1 408577337 ZBDQRQJKKYTMFS-UHFFFAOYSA-N 418.562 5.760 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)cc1OC 408624062 UCCUSSPJOYVBEG-UHFFFAOYSA-N 421.493 5.927 0 40 HKAB Cc1cccc(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3cccc(C)c3)n2)c1 408727427 WUNZZHMKAFQAJR-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)N(C)C1=S 409031808 BKKTYTBQENOYDT-ZROIWOOFSA-N 414.836 5.039 0 40 HKAB CC(C)Cn1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c2ccccc21 409123573 CWBXQTLFJDLRBD-HMAPJEAMSA-N 420.534 5.413 0 40 HKAB O=C(OC(c1ccccc1)c1ccccc1)c1cc(-c2cccs2)nc2ccccc12 409179122 PXGJSLFXDFIJNI-UHFFFAOYSA-N 421.521 6.910 0 40 HKAB Cc1ccc(CNC(=O)C2CCN([C@@H](C)c3cccc4ccccc34)CC2)cc1F 516739358 KAPHBNJZBNOAJU-IBGZPJMESA-N 404.529 5.377 0 40 HKAB O=C1NC(=S)/C(=C/Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)S1 618254605 FMWQYHOMUXXXDT-WDZFZDKYSA-N 402.353 5.078 0 40 HKAB CC1(C)CCCN(Cc2ccccc2F)Cc2cccnc2Oc2ccccc2OC1 643567237 WBEHMNRRKIUAIX-UHFFFAOYSA-N 420.528 6.214 0 40 HKAB Fc1ccc(Cc2ccc(C3CCN(Cc4ccnc5ccccc45)CC3)nc2)cc1 1848357389 WJJBTROVROLNDL-UHFFFAOYSA-N 411.524 5.739 0 40 HKAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](C5(C)OCCO5)CC[C@]4(C)[C@H]3CC[C@]12C 2049238324 GFXBFUNNPOLAPC-RINWBABFSA-N 404.591 5.340 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1sc2nc(-c3ccc(F)cc3)ccc2c1N 661668 OPDHNQBWMYKQDQ-UHFFFAOYSA-N 411.889 5.899 0 40 HKAB Cc1ccc(CSc2nnc3c(n2)O[C@H](c2ccncc2)Nc2ccccc2-3)cc1 684042 GYSINSDVSAXSNN-OAQYLSRUSA-N 413.506 5.037 0 40 HKAB Cc1cc(C)c(Cn2c([C@H]3CC(=O)N(c4ccccc4)C3)nc3ccccc32)c(C)c1 1448231 GOZJMCLKEIJRFR-NRFANRHFSA-N 409.533 5.530 0 40 HKAB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CNc1ccc(Cl)c(Cl)c1 1877634 MVKBNELHBCGULU-VIZOYTHASA-N 413.713 5.753 0 40 HKAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1 1973239 AQWUBHUBPFOKEJ-UHFFFAOYSA-N 423.468 5.941 0 40 HKAB CC[C@@H](C(=O)Nc1cc(C(=O)Nc2ccccc2C)ccc1Cl)c1ccccc1 2073523 ZLIZRLKVXWINIR-LJQANCHMSA-N 406.913 6.033 0 40 HKAB CCOc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1c1ccc(Br)cc1 2085978 RZITZTFQQGFOJC-OAQYLSRUSA-N 423.310 5.619 0 40 HKAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2cccs2)N1c1ccc(N(C)C)cc1 2137505 JSTDCJQVOLSWRR-JOCHJYFZSA-N 424.957 5.395 0 40 HKAB CSc1nc(NCc2ccco2)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 2377003 ADHWTSUYAMVDKB-UHFFFAOYSA-N 424.595 5.854 0 40 HKAB Cc1cc(C)cc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)c1 2395104 DSPUHMDZYINBAO-UHFFFAOYSA-N 414.509 5.262 0 40 HKAB Cc1nc(C(=O)Nc2cccc(C(F)(F)F)c2)nn1-c1ccc(Cl)cc1Cl 3111134 FNZABGLHPONLFU-UHFFFAOYSA-N 415.202 5.154 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cc1cccc2ccccc12 3190260 NDXCNMNRFINQIR-UHFFFAOYSA-N 415.514 5.926 0 40 HKAB Cc1c(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(=O)n(-c2ccccc2)n1C 3203938 DCOFKKZDRUPWMX-UHFFFAOYSA-N 419.569 5.332 0 40 HKAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2NC(c1ccccc1)(c1ccccc1)c1ccccc1 3845373 RDWRBYXTTMJESU-SKVJQKLOSA-N 409.573 5.962 0 40 HKAB c1ccc(C(c2ccccc2)n2cc[n+](C(c3ccccc3)c3ccccc3)c2)cc1 4771329 BYESPKMQEDKMHU-UHFFFAOYSA-N 401.533 6.051 0 40 HKAB O=C(COc1cccc(Cl)c1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 5700506 XWQNIZPMQCOJIV-LJQANCHMSA-N 415.276 5.343 0 40 HKAB Cc1cccc(S(=O)(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)c1 5729489 OADWQCFOCZUPHI-UHFFFAOYSA-N 406.532 5.586 0 40 HKAB CCOc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccccc2)cc1 6207783 DTEFGVTXXVZNSU-UHFFFAOYSA-N 415.562 6.058 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nc2ccccc2n1C)c1ccccc1 6315085 XOGNDMBSFMICLX-JOCHJYFZSA-N 417.534 5.362 0 40 HKAB C[C@H](OC(=O)c1ccc(F)cc1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 6590908 ZNJHKFQSLLWCMQ-HNNXBMFYSA-N 408.860 5.795 0 40 HKAB CCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N/c1ccc(OC)cc1 6954406 WOXDQGRBXMEDIM-UQRBVYKBSA-N 418.518 5.481 0 40 HKAB O=C(NC1CC1)[C@H](Sc1nc(-c2cccs2)nc2ccccc12)c1ccccc1 7112197 QSYTXCACKDGNSZ-HXUWFJFHSA-N 417.559 5.470 0 40 HKAB C[C@H]1CCc2sc(-c3nnc(SCc4coc(-c5cccs5)n4)o3)cc2C1 7129537 VGCOJSRAIZWYDI-NSHDSACASA-N 415.565 5.932 0 40 HKAB O=C(CCc1nc2ccccc2s1)N1CCc2sccc2[C@H]1c1cccs1 7947325 GJYGUFIXNOLXBE-NRFANRHFSA-N 410.589 5.526 0 40 HKAB CCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)nn12 8071457 PKRWTTABIVJNCJ-JLHYYAGUSA-N 417.538 5.191 0 40 HKAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3ncc(Cc4ccccc4)s3)o2)cc1 8324028 NEXUONVAEFYYJB-UHFFFAOYSA-N 402.475 5.449 0 40 HKAB Cc1ccc(NC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 8934858 LQQLFUMNHMSSSB-UHFFFAOYSA-N 421.444 5.575 0 40 HKAB Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3cc(C)c(C)cc3C)ccc1O2 8961294 NKBCEIUSTRGIIY-UHFFFAOYSA-N 422.506 5.079 0 40 HKAB CC(C)Cc1ccc([C@@H](C)c2nn3c(-c4ccc(N(C)C)cc4)nnc3s2)cc1 8993486 ZIMGOWVHZKRCBD-MRXNPFEDSA-N 405.571 5.269 0 40 HKAB Cc1cc(C)c(-c2nnc(NC(=O)COc3ccc(Cl)cc3Cl)s2)c(C)c1 9367676 XDGUXWTUTVGPCB-UHFFFAOYSA-N 422.337 5.455 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)C4(c5ccccc5)CCCC4)ccc3o2)cc1 10372783 VRTPYGIRSNUGHV-UHFFFAOYSA-N 412.489 5.954 0 40 HKAB CC(C)c1ccc([C@]2(C)NC(=O)N(Cc3ncc(-c4ccc(Cl)cc4)o3)C2=O)cc1 11193629 PSYBOQZSOOPKHW-QHCPKHFHSA-N 423.900 5.086 0 40 HKAB Cc1ccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1 12419531 SOVKEDMJJINNSS-UHFFFAOYSA-N 414.870 5.473 0 40 HKAB O=C(c1cccc(Oc2ccccc2)c1)N1CCC[C@H]1c1nc2ccccc2s1 12589173 JPENSNKKTSBOHD-NRFANRHFSA-N 400.503 6.066 0 40 HKAB O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)c1ccccc1 13147923 HADMUNZNBLUMLJ-UHFFFAOYSA-N 419.937 5.622 0 40 HKAB O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(Cl)c(Cl)c1 13381951 MEISOTREYQSVKW-UHFFFAOYSA-N 423.303 5.558 0 40 HKAB CCCCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1 13751824 SKFGCOYVSPGRHC-ZJSXRUAMSA-N 422.912 6.354 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 15319955 LJMXUZRIVNVEJA-UHFFFAOYSA-N 418.345 6.547 0 40 HKAB CCOc1ccc(N2CCn3c(SCc4cccc(C(F)(F)F)c4)nnc32)cc1 17307790 MFGMJSFXGUTYHT-UHFFFAOYSA-N 420.460 5.140 0 40 HKAB O=C(Nc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1)c1cccs1 19945477 QYCFWMIDZYNBPB-UHFFFAOYSA-N 424.953 6.104 0 40 HKAB Cc1ccc(C2=N/C(=C/c3cc4ccccc4nc3Sc3ccccc3)C(=O)O2)cc1 21596662 NZINDEJDIFYAGO-XQNSMLJCSA-N 422.509 6.039 0 40 HKAB COc1ccc2c(c1)CCCN2C(=O)c1ccccc1CSc1nc(C)cs1 24777041 DPQPBFJMORXICY-UHFFFAOYSA-N 410.564 5.345 0 40 HKAB Cc1ccc(C2=NC(=C(Sc3ccccc3)Sc3ccccc3)C(=O)O2)cc1 27562157 KZWDPRZFAZYGIK-UHFFFAOYSA-N 403.528 6.052 0 40 HKAB Cc1cc(NC(=O)c2ccccc2SCc2cscn2)ccc1Br 29603413 FSZZVLKXMNPBIS-UHFFFAOYSA-N 419.369 5.759 0 40 HKAB CCN(CC)Cc1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 30870673 XEUYLLDMWLLROE-UHFFFAOYSA-N 410.539 5.122 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 30937850 HMNAITQXMBMCTC-OAQYLSRUSA-N 402.563 5.689 0 40 HKAB CCc1ccc(-c2nc(CSc3nnc(-c4ccncc4)n3CC)cs2)cc1 31641994 DGMDTYABQYFIRW-UHFFFAOYSA-N 407.568 5.338 0 40 HKAB Cc1cccc(C)c1N(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 33453131 WKYTWLNSWSXMMN-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C1CC1)nn2-c1ccccc1 36615361 GEAJAANTGFHMOE-UHFFFAOYSA-N 403.869 5.405 0 40 HKAB Cc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)c3c[nH]c4ccccc34)nc12 38840269 QLSHBODYASDCEG-INIZCTEOSA-N 405.523 5.220 0 40 HKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Br)cc2)cc1 40485968 BGQYYEMWWZLJTD-FQEVSTJZSA-N 424.294 5.403 0 40 HKAB O=C(NCCCc1ccc(F)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 44906517 MHVKFDRMMRNVGF-UHFFFAOYSA-N 423.359 5.094 0 40 HKAB COc1c(C(C)C)cc(NCc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1C(C)C 57709933 OBIZXLYZQBIAIP-UHFFFAOYSA-N 422.525 5.167 0 40 HKAB CCc1ccc(NC(=O)[C@H](Cc2ccccc2OC)c2nc3ccccc3s2)cc1 67240442 SHFHKVCKBUJPKV-FQEVSTJZSA-N 416.546 5.832 0 40 HKAB Clc1ccc(-c2cc3c(N4CCN(c5ccc(Cl)cc5)CC4)nccn3n2)cc1 67284806 OUYQGMKAXWXJEX-UHFFFAOYSA-N 424.335 5.030 0 40 HKAB O=C(c1c(F)cccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 72331387 ZZJCZYWDOFQNPH-UHFFFAOYSA-N 408.904 5.027 0 40 HKAB Cc1cc(NC(=O)N(Cc2ccoc2)C2CCCCC2)ccc1OC1CCOCC1 95467125 IXLCMGPREMJQSB-UHFFFAOYSA-N 412.530 5.513 0 40 HKAB O=C(CCCCCCCCC(=O)CC(=O)c1ccccc1)CC(=O)c1ccccc1 100478325 HOPIMTAIQRBNBN-UHFFFAOYSA-N 406.522 5.791 0 40 HKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccc(F)cc3)cc2Cl)c1C 107749622 JIDHJBZMQTWRGR-UHFFFAOYSA-N 412.892 5.726 0 40 HKAB Brc1ccc(SCc2ccc(I)cc2)cc1 115102184 SPQUWDDTWUNHMW-UHFFFAOYSA-N 405.098 5.346 0 40 HKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 222656884 LBOPXGLNRMSOOQ-HXUWFJFHSA-N 422.613 5.249 0 40 HKAB O=C(CCc1cccc2ccccc12)Nc1ccc(I)cc1 222659224 FLICYQMRKXYDIP-UHFFFAOYSA-N 401.247 5.016 0 40 HKAB COc1ccc2cc(S(=O)(=O)Nc3ccc4c(c3)oc3ccccc34)ccc2c1 225150494 PCFBJEFRNUVSRJ-UHFFFAOYSA-N 403.459 5.549 0 40 HKAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225414453 GZUGFZUHLSCTGQ-DEOSSOPVSA-N 424.560 5.015 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 225555928 FNYRJQATSDTEAJ-MRXNPFEDSA-N 420.380 7.011 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCc4ccccc4)c(C)c3)CCOCC2)c1 225567857 DTRFLWLBCKJFCJ-UHFFFAOYSA-N 415.533 5.569 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1Cl 225578936 KPYBCADLAGEOAN-UHFFFAOYSA-N 408.325 5.469 0 40 HKAB CCOC(=O)c1cc(NC(=S)N[C@@H](CC)c2ccc(C)c(C)c2)ccc1Cl 225711834 IMAUYZSAJXHZFN-IBGZPJMESA-N 404.963 5.571 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c2ccccc12 225761909 RVHOWKNRWWRFMW-UHFFFAOYSA-N 405.513 6.607 0 40 HKAB CCC(CC)C(=O)N1CCC(Cc2ccccc2-c2ccccc2)(C(=O)N(C)C)CC1 257248962 JFZPJCFWGPTSMI-UHFFFAOYSA-N 420.597 5.029 0 40 HKAB Cc1cccc(C(=O)N[C@@]2(C)C[C@@H](c3ccccc3Cl)O[C@H]3C[C@@H](C)CC[C@@H]32)c1 257316985 VHVQSXZPGAMQBO-VTBHLOPZSA-N 411.973 6.103 0 40 HKAB CCOc1cc(C(=S)NCc2ccc(Cl)cc2)ccc1OCc1ccccc1 408572206 FPPNHLDTCNEUAF-UHFFFAOYSA-N 411.954 5.783 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2c(C)cccc2C)cc1OCC 408624212 UZKVCNSYJJOYKM-UHFFFAOYSA-N 406.320 5.506 0 40 HKAB Cc1cccc(CSc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)c1 408750582 OYZTULIYXNRULE-UHFFFAOYSA-N 404.560 6.458 0 40 HKAB O=C(CSCc1ccc(Cl)cc1)NCCSCc1cccc(Cl)c1 408879334 FDRBZDSOBUNMHR-UHFFFAOYSA-N 400.396 5.276 0 40 HKAB Cc1ccc(COc2c(Cl)cc(Cl)cc2CNc2cccc(C)c2C)cc1 409112434 GHCLSEYKHCXYBP-UHFFFAOYSA-N 400.349 7.110 0 40 HKAB Cc1ccc(C)c(NC(=O)COc2ccc(CNc3ccc(C)c(C)c3)cc2Cl)c1 409369325 AWCJGUNKDPBFLK-UHFFFAOYSA-N 422.956 6.203 0 40 HKAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 683204 DZXOOWVXMUSULL-UHFFFAOYSA-N 416.521 5.887 0 40 HKAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)cc1Cl 854643 ZEMWGIWFXXRHLC-QQNJPBSNSA-N 413.904 5.219 0 40 HKAB Cc1cccc2c(SCC(=O)Nc3ccccc3)nc(-c3ccc(F)cc3)nc12 869022 RNADHZPDSLRWAZ-UHFFFAOYSA-N 403.482 5.475 0 40 HKAB O=C1C=C(Nc2cc(Cl)ccc2Cl)C(=O)N1c1cc(Cl)ccc1Cl 950120 XIMTVJSQTAAZRZ-UHFFFAOYSA-N 402.064 5.169 0 40 HKAB Cc1cc2cc(CN(Cc3cccnc3)C(=O)c3ccco3)c(Cl)nc2cc1C 1367806 RIEHSHBFSXKSJI-UHFFFAOYSA-N 405.885 5.336 0 40 HKAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 1379726 SXWCEAGHSGZVFA-QHCPKHFHSA-N 415.493 5.422 0 40 HKAB CCCCN(CCCC)CCCNc1c2c(nc3ccc(Cl)cc13)CCCC2 1677547 LWIAVKSBBXKFMZ-UHFFFAOYSA-N 402.026 6.471 0 40 HKAB CSc1nc2c(c(=O)n1[C@H]1CCOC(C)(C)C1)C1(CCCCC1)Cc1ccccc1-2 2054765 LKWWCAFBONGXHQ-SFHVURJKSA-N 424.610 5.520 0 40 HKAB biogenic c1ccc(-c2ccc(O[C@H]3OCCO[C@@H]3Oc3ccc(-c4ccccc4)cc3)cc2)cc1 2062009 YLJPPQWLDXIAMQ-VSGBNLITSA-N 424.496 6.177 0 40 HKAB Cc1ccc(-c2cc(C(=O)Oc3ccc4ccccc4c3)c3cc(C)ccc3n2)cc1 2079457 XGEBQERIAAIHKP-UHFFFAOYSA-N 403.481 6.891 0 40 HKAB O=C(COc1ccccc1-c1nc2ccccc2s1)N1CCCc2ccccc21 2638992 MRKYTUPVDIBSMR-UHFFFAOYSA-N 400.503 5.322 0 40 HKAB Cc1ccc(Sc2nc(Nc3ccccc3)sc2Sc2ccc(C)cc2)cc1 2709090 KWOKCJCVHMKETE-UHFFFAOYSA-N 420.628 7.806 0 40 HKAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 2736237 BOHDHIJNZDUOHJ-UHFFFAOYSA-N 400.547 6.822 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)s1 3204616 CWYRUXGIQXXWBY-UHFFFAOYSA-N 416.502 5.701 0 40 HKAB CCc1cc2c(=O)c(Oc3ccccc3F)c(C)oc2cc1OCc1ccccc1 3241150 JUBHJPZZXXTTAD-UHFFFAOYSA-N 404.437 6.174 0 40 HKAB CCCCO[C@H]1C[C@@H](c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)N(C)O1 4002188 RPCZNVKVMRSVEY-SIKLNZKXSA-N 405.922 5.379 0 40 HKAB C[C@@H]1C[C@@H](Nc2ccc(Br)cc2)c2ccccc2N1C(=O)c1ccccc1 4045129 MRAMZZXAPMWUNP-IIBYNOLFSA-N 421.338 6.041 0 40 HKAB Cc1nc2c(ccc3nc(NC(=O)c4ccc(-c5ccccc5)cc4)sc32)s1 4174123 HRIARUFAJOMDMW-UHFFFAOYSA-N 401.516 6.134 0 40 HKAB C[C@@H](NC(=O)c1ccc(Cl)cc1)c1nc2ccccc2n1Cc1ccccc1F 4903870 FUWSCLSYVQCUFH-OAHLLOKOSA-N 407.876 5.368 0 40 HKAB CSc1nnc2c(n1)O[C@H]([C@@H]1CCC(CCC=C(C)C)=C[C@@H]1C)Nc1ccccc1-2 5044069 OWVUXVZIIPHBLW-AQOAWAETSA-N 422.598 6.110 0 40 HKAB COc1ccc2[nH]cc(C(=O)CSc3nc(C)nc4c3oc3ccccc34)c2c1 5157776 KDIZJRYKHTXNEQ-UHFFFAOYSA-N 403.463 5.149 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C(C)(C)C)CC4)c(C)c1 5214439 XMMHCOQJYRWDMU-QGZVFWFLSA-N 411.567 6.001 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2ccc(Cl)c(-c3nc4cc(C)ccc4o3)c2)c1 5815148 AHQKGVHJOYCREA-UHFFFAOYSA-N 420.896 6.091 0 40 HKAB C[C@@H](NC(=S)NC(=O)c1cccc(Cl)c1Cl)C12CC3CC(CC(C3)C1)C2 6471120 FKQYWNXLBCILFG-JIEKGTPASA-N 411.398 5.203 0 40 HKAB CCOc1ccc2nc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)sc2c1 6601133 CTVDCYMBIRSHME-UHFFFAOYSA-N 412.555 5.790 0 40 HKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 6616930 IPXVPDYDMATPCE-XNTDXEJSSA-N 412.489 6.279 0 40 HKAB Cc1cc(C)c(NC(=O)CSc2nnc(Nc3ccccc3C)s2)c(Cl)c1 6830400 BNFKSNXQPAAYOC-UHFFFAOYSA-N 418.975 5.591 0 40 HKAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3ccccc3Cl)n12 6862618 YBPXUVHVODLMPK-UHFFFAOYSA-N 410.930 5.192 0 40 HKAB c1ccc(-n2nc(SCc3nnc(-c4ccco4)o3)nc2C2CCCCC2)cc1 7205089 PSZVUEHCNNWBSW-UHFFFAOYSA-N 407.499 5.250 0 40 HKAB COc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)c2ccccc12 8277505 MXSLPEOATZSZDN-UDWIEESQSA-N 408.910 5.702 0 40 HKAB CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cc(Cl)ccc3Cl)c2c1 8383363 XEVIKELTSHMESO-UHFFFAOYSA-N 421.327 7.023 0 40 HKAB Cc1nnc2sc(C(=O)Nc3ccc(Cl)cc3)c(N)c2c1/C=C/c1ccccc1 8411839 VICHAKDWBXZJQE-KPKJPENVSA-N 420.925 5.658 0 40 HKAB COc1cc(CNC23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1cccs1 8470560 HHNIBWWFXHCXPJ-UHFFFAOYSA-N 418.002 6.048 0 40 HKAB COc1ccc(OCCSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1 9642725 ZVWRSXZXOYJLAX-UHFFFAOYSA-N 418.927 5.784 0 40 HKAB COc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc(C)cc2)cc1 11691980 GJXJQIQMDKSZPP-UHFFFAOYSA-N 419.864 5.683 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2C[C@@H](C)C[C@@H](C)C2)cc1 12419654 OFSZKTZBIOOAMI-IYBDPMFKSA-N 416.568 5.027 0 40 HKAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccccc1OCc1ccccc1Cl 12628516 BXDXGJPVKCDVIJ-MOSHPQCFSA-N 424.283 5.917 0 40 HKAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccc(Oc2ccccc2)cc1 13134094 UESJXBYJTWODAZ-UHFFFAOYSA-N 420.921 6.432 0 40 HKAB Cc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)CC1=O 13511453 RTWJWBHBAPLOFN-HSZRJFAPSA-N 423.560 6.037 0 40 HKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1C 14004888 ZWHGDSHGQGIUHW-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1Cc1cccc2ccccc12 14132077 QQESSBPYZHWHDK-XDHOZWIPSA-N 424.319 5.839 0 40 HKAB CSc1ccc(Cl)c(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 14583333 CDSLGUUKXDMJCW-UHFFFAOYSA-N 418.927 5.209 0 40 HKAB CC(C)c1ccc(N2C(=O)N(Cc3ccccc3)c3ccccc3S2(=O)=O)cc1 15827270 FKGBWPFGQNSFBA-UHFFFAOYSA-N 406.507 5.146 0 40 HKAB COc1ccc(C)cc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 15881186 OFJFDUYFHLSRFT-UHFFFAOYSA-N 417.505 5.548 0 40 HKAB CCOC(=O)c1ccc(/N=c2\scc(-c3ccccc3F)n2C2CCCC2)cc1 15912431 UIOWBPIEDDXTCH-BZZOAKBMSA-N 410.514 5.880 0 40 HKAB CCOCCCNC(=O)c1sc2c(cnc3ccc(OC)cc32)c1-c1ccccc1 16846870 VEUSKPYEFAGPIX-UHFFFAOYSA-N 420.534 5.282 0 40 HKAB Cc1ccccc1O[C@@H](C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 19934214 KMBHMLDFQIIDTD-IBGZPJMESA-N 415.533 5.930 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 20460678 UGSFMLWUGMCKSL-QGZVFWFLSA-N 411.954 6.347 0 40 HKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2cc(C)cc(C)c2)CC1=O 21524546 OFNOQGZIYIKKMI-NRFANRHFSA-N 419.569 5.238 0 40 HKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(Br)cc1F 22245850 NXXGKOXDAPXUSB-UHFFFAOYSA-N 424.270 5.488 0 40 HKAB Cc1nc2sccn2c1-c1nnc(SCc2ccc(Cl)cc2Cl)n1C 23141475 CHDLKCOVKOXVSU-UHFFFAOYSA-N 410.355 5.099 0 40 HKAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCCc2cc(C(F)(F)F)ccc21 24472922 HKNMNDQSXADKMQ-UHFFFAOYSA-N 418.390 5.412 0 40 HKAB CCCN(Cc1nnc(-c2cccs2)o1)Cc1sc2ccccc2c1Cl 24716785 LJOSSMLQIZPTEI-UHFFFAOYSA-N 403.960 6.078 0 40 HKAB Cc1ccc(N(C)C(=O)Oc2cccc(OC(=O)N(C)c3ccc(C)cc3)c2)cc1 26571275 HQGMJCMXWJONON-UHFFFAOYSA-N 404.466 5.574 0 40 HKAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NC4CCCCCC4)c(C)c3cc2c1C 30819257 IBVAGLZAUMNRQN-UHFFFAOYSA-N 409.526 5.544 0 40 HKAB O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCN(Cc2ccccc2Cl)C1 38848643 PWAWRSINHIRKPX-INIZCTEOSA-N 411.760 5.175 0 40 HKAB O=C(NCCCc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 44906429 XLIHTGDFRULCFF-UHFFFAOYSA-N 418.968 5.261 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079074 KBFVEAXDAGJXCA-UHFFFAOYSA-N 408.860 5.324 0 40 HKAB CCOc1ccccc1CNC(=O)c1scc(-c2ccccc2)c1-n1cccc1 64472477 OVCULMSLFOMHLO-UHFFFAOYSA-N 402.519 5.535 0 40 HKAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(C)cc3Cl)oc12 67299114 SKOIBKSXTGKOQZ-RWEWTDSWSA-N 422.868 5.159 0 40 HKAB Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1 79019519 LCQLMEZGWQSGOW-UHFFFAOYSA-N 416.525 5.219 0 40 HKAB COc1cccc(-c2c[nH]c([C@H]3CCCN3Cc3ncc(-c4ccccc4)o3)n2)c1 79058872 MSLGZUQNIOTJRM-OAQYLSRUSA-N 400.482 5.077 0 40 HKAB Cc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccccc5)cn34)n2)c(F)c1 96038071 BOLXESDNNOVOLG-UHFFFAOYSA-N 410.452 5.492 0 40 HKAB COC(=O)c1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3onc(C)c32)cc1 102716802 BIVOGBXJSZWKPB-GCJKJVERSA-N 414.461 5.377 0 40 HKAB CCc1ccc([C@H](C)NC(=O)COc2ccc3ccccc3c2Br)cc1 222917342 GCMXYLLBRYJXEC-HNNXBMFYSA-N 412.327 5.421 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccccc1Cl 224134155 GEDSMMRTQDAETG-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)c1 224252023 PGYHITCBDBACFU-GOTSBHOMSA-N 402.567 5.484 0 40 HKAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1CSc1ccc(C)cc1 224338879 QVYGWAQZBIXFHP-UHFFFAOYSA-N 407.491 5.277 0 40 HKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 224449715 NZHJTVBIEADNMA-DHIUTWEWSA-N 414.509 5.189 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccc(Cl)c(C)c1 224541894 PQQGXGZJGOAYFG-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(C)ccc3OC)o2)cc1 224910889 MDBFYJRPPOSBIV-UHFFFAOYSA-N 414.461 5.587 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225580617 OZAKHVWTGGWZIB-UHFFFAOYSA-N 402.941 5.762 0 40 HKAB CCCCOc1c(C)cc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1C 225585233 GTWFGBRZUQMCJJ-UHFFFAOYSA-N 411.542 5.178 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225703727 SDPFIPAOMJTCKZ-DEOSSOPVSA-N 404.595 5.255 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(C)COC(c3ccco3)OC2)c2ccccc12 225917367 VHCDDQHGRNYPSW-UHFFFAOYSA-N 409.482 5.158 0 40 HKAB Clc1ccc(CN2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)nc1 257309987 UDFCZYHNLFZUBC-PZJWPPBQSA-N 419.352 5.283 0 40 HKAB CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 408625831 ZHFFGBZPXQBHDX-UHFFFAOYSA-N 404.535 5.263 0 40 HKAB CCCc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc(OC)c(OC)c1 408825140 JITDREPZNWFXRR-UHFFFAOYSA-N 416.930 5.686 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccccc1C(F)(F)F)N2 408996818 NEWGNOKRFFDPQQ-YUXAGFNASA-N 409.407 5.875 0 40 HKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 409026973 LNHKIDIWFYHZDK-OBGWFSINSA-N 412.533 5.566 0 40 HKAB CC(C)Cn1cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)c2ccccc21 409123404 GDJIUBIXPMIDJO-HAHDFKILSA-N 418.562 5.966 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(Cl)cc1OC 409131743 WSZGAMTTWCLYSV-VCHYOVAHSA-N 409.935 5.364 0 40 HKAB O=C1/C(=C\c2ccc(Br)cc2)N=C(c2cccs2)N1Nc1ccccc1 709066 KTBATBNTKBVAGP-GHRIWEEISA-N 424.323 5.168 0 40 HKAB O=C1COc2ccc(C3=Nc4ccccc4S[C@@H](c4ccccc4Cl)C3)cc2N1 990166 FVFGUHZJUWCNNI-JOCHJYFZSA-N 420.921 6.029 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(Cl)c(C)c4)cc3)sc2c1 1738379 IWCWDWMWDGEJPT-UHFFFAOYSA-N 422.937 6.251 0 40 HKAB Cc1ccc2sc(-c3ccc(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4)cc3)nc2c1 1771585 ZBLMJTRXLGNMTO-OAHLLOKOSA-N 422.937 6.331 0 40 HKAB O=C(Oc1c(-c2ccccc2)oc2ccccc2c1=O)c1ccc(Cl)cc1Cl 1788373 FISSLIDLIKXKLK-UHFFFAOYSA-N 411.240 5.986 0 40 HKAB CCOC(=O)c1c(C)n(-c2ccccc2C)c2ccc(OC(=O)c3ccccc3)cc12 2282191 WVNUCUJIZHLTHW-UHFFFAOYSA-N 413.473 5.643 0 40 HKAB biogenic COc1cccc(CSc2nnc(-c3ccccc3OC)n2-c2ccccc2)c1 2362786 YLVZCKGDCWPYSA-UHFFFAOYSA-N 403.507 5.244 0 40 HKAB CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C/c1ccc2c(c1)Cc1ccccc1-2 2413714 TYYLSPIEBHTUTQ-LLHNEZGQSA-N 406.529 5.285 0 40 HKAB CCc1c(-c2cccc(OC)c2)nn(Cn2cc(Cl)cn2)c1-c1cccc(OC)c1 2733568 ZXILDPJLMAIZBM-UHFFFAOYSA-N 422.916 5.152 0 40 HKAB Cc1ccc(C)c(-c2cc(C(=O)NC3CCCC3)c3cc(Br)ccc3n2)c1 2766984 FIWTWSQIQUZRSH-UHFFFAOYSA-N 423.354 5.954 0 40 HKAB Cc1ccccc1-c1nc(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)no1 2930824 OBPNRGGUFSHYKJ-UHFFFAOYSA-N 424.254 5.320 0 40 HKAB aggregator O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc2ccc(O)cc2oc1=O 2951582 SAUMBMQYTAVKQJ-UHFFFAOYSA-N 407.809 5.197 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)C(F)(F)Oc1cccc(C(F)(F)F)c1 3116999 STSAXKLKRGZAAE-UHFFFAOYSA-N 400.130 5.623 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccc(C(C)C)cc3)ccc21 3311988 RMLVOGAUKGZBIU-UHFFFAOYSA-N 414.505 5.733 0 40 HKAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccccc1-c1ccc(C(F)(F)F)cc1 3345815 YSKWJUIPTZBQBZ-UHFFFAOYSA-N 423.390 5.893 0 40 HKAB O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1CNc1ccccc1 3765777 QLEJNRACJNTROS-PXLXIMEGSA-N 416.502 5.372 0 40 HKAB O=C1c2ccccc2C(=O)N1CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 4413769 YIWVPBXSJBOVJG-UHFFFAOYSA-N 412.470 5.354 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc(Cl)nc3ccccc23)sc2c1CCCC2 5461276 CJXPDNWGRZUANB-UHFFFAOYSA-N 414.914 5.258 0 40 HKAB O=C(NCCC12CC3CC(CC(C3)C1)C2)c1ccc(-c2nc3ccccc3s2)o1 6997420 ARPVRLAVJNEJHB-UHFFFAOYSA-N 406.551 5.893 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)cc(OCC)c1OCC 7684056 OANYUHJTORTIOR-UHFFFAOYSA-N 412.511 5.259 0 40 HKAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)C1(c2ccc(Cl)cc2)CCC1 8036407 UMSVTNRHHJVXQS-UHFFFAOYSA-N 415.946 5.312 0 40 HKAB O=C(COc1ccc2ccccc2c1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 8191763 BPKJQVSRMPAWSG-FQEVSTJZSA-N 418.518 5.041 0 40 HKAB CCc1ccc([C@H](CC(=O)c2ccc3c(c2)OCO3)Nc2ccc(Cl)cc2)cc1 8783325 ZAEJMEASFPTBLM-NRFANRHFSA-N 407.897 6.057 0 40 HKAB biogenic,in-vitro COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(C)c2)cc1Cl 8827161 GJXPDBSFBHXRLI-UHFFFAOYSA-N 419.864 5.887 0 40 HKAB CCOc1cc(-c2nnc(Nc3ccc(Cl)cc3)[nH]2)cc(OCC)c1OCC 8903550 SFCQJTQLNAIPGA-UHFFFAOYSA-N 402.882 5.065 0 40 HKAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc4ccccc34)ccc21 8958949 RCLBSAYUVCWASJ-UHFFFAOYSA-N 402.494 5.254 0 40 HKAB CC(C)n1nccc1NC(=O)c1cccnc1Sc1ccc(Br)cc1 9172411 NKXUOYIPROHWFK-UHFFFAOYSA-N 417.332 5.025 0 40 HKAB CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)(C)C)cc2)cc1 9239280 KWVIYOMPGUVJHL-HSZRJFAPSA-N 402.563 6.477 0 40 HKAB Cc1cc(Nc2ccc(Cl)c(Nc3cc(C)c4ccccc4n3)c2)nc2ccccc12 9411237 XJJYCLHFYHNLDN-UHFFFAOYSA-N 424.935 7.540 0 40 HKAB Clc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1ccsc1)O2 10215183 GDECNOZHZRSSMH-LAUBAEHRSA-N 410.882 5.373 0 40 HKAB COc1ccccc1C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 12538656 QCDDLXSRTPPOEU-UHFFFAOYSA-N 403.507 5.431 0 40 HKAB Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c(Br)c1 12604030 GZSQFQHKNPKCFT-GNISGLHKSA-N 410.315 5.011 0 40 HKAB COc1ccc(CN(C)C(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)cc1F 12993077 RHASLFXEBJXHAZ-UHFFFAOYSA-N 405.469 5.123 0 40 HKAB C[C@H](c1ccc(-c2ccccc2)c(F)c1)c1nn2c(-c3ccccn3)nnc2s1 13718386 RJGIVBIMNJFUMY-CQSZACIVSA-N 401.470 5.206 0 40 HKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(OC)c(OC)c1 14083434 JDBPSMXJZHLLGJ-UHFFFAOYSA-N 424.353 5.581 0 40 HKAB O=C(Nc1cccc([C@@H]2NC(=O)c3ccccc3N2)c1)c1ccc(Cl)cc1Cl 14095077 JWRKDAWJWFMXCF-IBGZPJMESA-N 412.276 5.100 0 40 HKAB O=S(=O)(Nc1ccccc1Sc1ccccc1)c1ccc(Br)cc1 14223119 ACAOOGZVYMZFHC-UHFFFAOYSA-N 420.353 5.401 0 40 HKAB CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1Br 16780625 MIYPTFBCXBPQEU-UHFFFAOYSA-N 412.349 5.080 0 40 HKAB COc1ccc(OC)c(C(=O)N2CCC[C@H]2c2cc(-c3ccccc3)cc(C)n2)c1 19690775 KYXBKXBECVCJCG-QHCPKHFHSA-N 402.494 5.052 0 40 HKAB COc1cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)ccc1NC(=O)c1ccco1 20096497 LYFHHPSIEPQTRK-UHFFFAOYSA-N 418.493 5.299 0 40 HKAB Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2NCc2ccc(F)cc2)cc1 20382478 UHNCRHNEXNAURJ-UHFFFAOYSA-N 420.509 5.436 0 40 HKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1 20610963 POBUJJNCEFKRCS-QGZVFWFLSA-N 400.482 5.159 0 40 HKAB O=C(Cc1csc(-c2ccco2)n1)Nc1cc(Cl)ccc1N1CCCCC1 25273184 VGDIMMDMSJFSQE-UHFFFAOYSA-N 401.919 5.228 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(C)cc3c2C)N2CCCCCC2)cc1 28287353 KWFFYUGFQMTJHB-XMMPIXPASA-N 418.581 6.014 0 40 HKAB O=C(C1CCN(Cc2c(Cl)cccc2Cl)CC1)N1CCCc2ccccc21 30946794 FNSSYXFBPSDMLX-UHFFFAOYSA-N 403.353 5.185 0 40 HKAB COc1ccc(-c2cc(OCC(=O)Nc3ccc(F)c(F)c3)c3ccccc3n2)cc1 32985610 QDXZSIRLVJLPNH-UHFFFAOYSA-N 420.415 5.206 0 40 HKAB Cc1cccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 33879943 WOTMJNKGJQRYCK-UHFFFAOYSA-N 406.334 5.697 0 40 HKAB C[C@H](Sc1ncccc1C(F)(F)F)c1ccnn1C(=O)c1ccccc1Cl 43804428 JXYBLORGBCOFIB-NSHDSACASA-N 411.836 5.492 0 40 HKAB C[C@@H](NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1 44934050 HKPLWVPMWGAJEO-GDBMZVCRSA-N 409.332 5.222 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NCc1ccc(-c2nc3ncccc3o2)cc1 57333705 JCLLRFUXDFUZIC-FYWRMAATSA-N 421.456 5.479 0 40 HKAB CCOc1cc([C@@H]2SCC(O)=Nc3c2cnn3C)ccc1OCc1ccccc1C 61719891 VPMTXTZFJRPEFA-QFIPXVFZSA-N 423.538 5.130 0 40 HKAB Cc1oc(C)c(C(=O)Nc2ccccc2NC(=O)c2ccccc2)c1Br 72000916 UYWBTZOMJUHCCU-UHFFFAOYSA-N 413.271 5.164 0 40 HKAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72214556 VSYXTFYMJKHPPQ-GOSISDBHSA-N 419.566 5.551 0 40 HKAB CCCCOc1ccc(-c2cc(C(=O)NCc3ccc(C(F)(F)F)cc3)[nH]n2)cc1 72331568 REGHSRKLZWZQOZ-UHFFFAOYSA-N 417.431 5.204 0 40 HKAB COc1cccc(-c2nn(C(C)(C)C)cc2CNc2cccc(CCOC(C)=O)c2)c1 95997214 BQMNGBYVEXTDBJ-UHFFFAOYSA-N 421.541 5.031 0 40 HKAB Cc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)c(Cl)c2)cc1C 98086413 QHXQAIQGBLQLCR-UHFFFAOYSA-N 401.257 5.424 0 40 HKAB Cc1ccc([C@H](C)C(=O)NC[C@H]2CC[C@H](c3ncncc3-c3ccncc3)CC2)cc1 100738795 HSEKSXPSXKBSQN-SXWKCWPCSA-N 414.553 5.041 0 40 HKAB O=C1C[C@@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1ccc(Cl)cc1Cl 101277141 YRQCTHRITNIKLV-GFCCVEGCSA-N 404.080 5.044 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OC 215118330 CKLYGOGVPYMFAA-VCHYOVAHSA-N 421.877 5.123 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1cccc(Br)c1 222715333 NVLAHFKJVBXAOD-UHFFFAOYSA-N 405.144 5.628 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)COc2ccc(Br)cc2)c2ccccc2O1 223288505 NGHXJOYZTXFPMY-GOSISDBHSA-N 418.331 5.027 0 40 HKAB CC(C)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223749481 PWBRZXZYBVXKSL-NRFANRHFSA-N 420.597 5.219 0 40 HKAB CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 223940398 VJMWMGBGOZMUNI-IBGZPJMESA-N 416.587 5.050 0 40 HKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 224400573 DNOSNJVKLUSYJO-SDNWHVSQSA-N 409.580 5.780 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1COCC(C)C 224736897 RHSBLXXWGRFRLW-UHFFFAOYSA-N 406.320 5.273 0 40 HKAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COCc1ccccc1 224751832 CNSSZIHVMHNYOF-UHFFFAOYSA-N 401.506 5.001 0 40 HKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)NCc1ccco1 224972197 USZGSRQCIWQETL-UHFFFAOYSA-N 410.473 5.058 0 40 HKAB CC(C)Oc1ccc(CNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225446440 AGDXQWDZDYTPJO-UHFFFAOYSA-N 422.619 6.253 0 40 HKAB COC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1C 225510159 IJBDCUHGGXBFEH-QFIPXVFZSA-N 404.535 5.166 0 40 HKAB CCCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCCCC3)cc2)CCC[C@@H](C)C1 225663896 VACMZFWGDKPIKW-BWKNWUBXSA-N 416.606 5.255 0 40 HKAB Cc1ccc(-c2nnc(NC(=O)c3ccc(CSc4ccccc4)cc3)s2)cc1 225774422 VZJLOKUXHSPQKE-UHFFFAOYSA-N 417.559 6.058 0 40 HKAB O=C1CC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)Oc2cc3c(cc21)CCCC3 225825956 NBYGPOMVDDAQLC-UHFFFAOYSA-N 424.928 5.251 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@]4(O)CCCC[C@]4(C)[C@@H]3CC[C@]12C 253504558 HKHHYUSFWJROEJ-IGOLDHQBSA-N 404.679 6.584 0 40 HKAB biogenic,in-vitro CCCc1s/c(=N\C(=O)c2ccccc2Cl)n(CC)c1-c1ccc(F)cc1 408561964 MCSNWAFFBUJXOV-FLFQWRMESA-N 402.922 5.723 0 40 HKAB O=C(c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1)N1CCCCC1 408731022 IKDCOMCQTRLFPJ-UHFFFAOYSA-N 406.529 6.437 0 40 HKAB Ic1ccc(Nc2nc3c(s2)CCc2ccccc2-3)cc1 408889004 AOIDLBLEBFMNSH-UHFFFAOYSA-N 404.276 5.257 0 40 HKAB Clc1ccc(OCc2cccc3ccccc23)c(CNc2ccccc2Cl)c1 409176514 PUAOSOVPXOIOIE-UHFFFAOYSA-N 408.328 7.338 0 40 HKAB COc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(C)cc3)n2C)cc1 409197523 HUMMHEZKRILMFA-QPLCGJKRSA-N 414.530 5.479 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC 409210182 IWIIPTXAPOLYFL-KQRQPNSISA-N 411.523 5.152 0 40 HKAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)CCCc3ccccc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409351716 AIHWAGYKNUQQLZ-HMFYCAOWSA-N 424.507 5.311 0 40 HKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1C 409369568 DBZOETGVEJDQFM-UHFFFAOYSA-N 404.510 5.250 0 40 HKAB Cc1nc(-c2ncccn2)sc1C(=O)Nc1ccc(Oc2ccncc2)c(Cl)c1 504715326 FMWLDZWRNLKIKO-UHFFFAOYSA-N 423.885 5.002 0 40 HKAB CCN(CC1CC1)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12 606198603 PKZSGBDDSRWXGJ-UHFFFAOYSA-N 403.404 5.089 0 40 HKAB Cc1ccc(-c2cc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)on2)cc1 606422342 OOECSEIYGNSAHI-UHFFFAOYSA-N 405.457 6.118 0 40 HKAB CC1(C)[C@@H]2CC=C(CCOC(=O)COc3cc(Cl)c(Cl)cc3Cl)[C@H]1C2 1648524 QJLPKHKSZWZRMV-CHWSQXEVSA-N 403.733 5.951 0 40 HKAB CCCCOc1ccc(-n2c(-c3ccc(OC)cc3)nc3nc4ccccc4nc32)cc1 2251161 CFDRMQUMFOXARC-UHFFFAOYSA-N 424.504 5.823 0 40 HKAB Clc1cc2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c32)c(Cl)c1Cl 2569948 WDMKCPIVJOGHBF-UHFFFAOYSA-N 409.310 8.160 0 40 HKAB biogenic,in-vitro O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 2618379 SUWHGKWYSBGWOR-LJQANCHMSA-N 405.454 5.348 0 40 HKAB C=Cc1ccc(Cn2nc(-c3cccc(OC)c3)c(CC)c2-c2cccc(OC)c2)cc1 2733518 CHDSUPIENKCRDN-UHFFFAOYSA-N 424.544 6.488 0 40 HKAB O=C1N/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccc(Cl)cc1 2735797 KLIISPIJXODJBI-HYARGMPZSA-N 418.880 5.012 0 40 HKAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(COc3ccccc3Cl)cc2)cc1 2755776 BFTXNFFZUKMAIY-UHFFFAOYSA-N 423.896 5.737 0 40 HKAB CCCCSCc1nc2c(Cl)cc(Cl)cc2c(=O)n1-c1c(C)cccc1C 3049163 KXHIOLLYHFOXOM-UHFFFAOYSA-N 421.393 6.343 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1nc2c(s1)CSc1ccccc1-2 3224999 XDRRDPOWWDZXGM-UHFFFAOYSA-N 423.346 5.740 0 40 HKAB CCc1ccc(NC(=S)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)cc1 3287994 NIPSWCHYFNUMDZ-QFIPXVFZSA-N 400.975 5.570 0 40 HKAB Cc1cc(C)c(NC(=O)CN2C(=O)C[C@H](c3ccco3)Sc3ccccc32)c(C)c1 4162818 FMZYJMAPVARLNA-OAQYLSRUSA-N 420.534 5.414 0 40 HKAB CN(C)CCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc2c(F)cccc2s1 4359773 VPGZLSOWSJYVBU-UHFFFAOYSA-N 413.562 5.331 0 40 HKAB Cc1cccc(NC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)c1C 4554458 IBHMYVDKUMBFFN-UHFFFAOYSA-N 406.938 6.794 0 40 HKAB C[C@H](NC(=O)C[C@@H](C)CC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1 4715692 OFPVYRAZKRUJIT-RTWAWAEBSA-N 400.522 5.645 0 40 HKAB Brc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1ccccc1)O2 4853993 OCUYEVYYIQOLCN-RBBKRZOGSA-N 405.295 5.691 0 40 HKAB COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2cccc(C)c2)cc1OC 5325283 KLNNLQVYZACLLJ-UHFFFAOYSA-N 415.445 5.038 0 40 HKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3cc(Cl)cc(Cl)c3)s2)cc1C 6161553 AXZYIILVRSVVFC-UHFFFAOYSA-N 420.365 5.708 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)c1cc2ccccc2c(Br)c1OC 6224757 FOLNQPDLIMUWOX-AWEZNQCLSA-N 412.327 6.377 0 40 HKAB CCOc1ccccc1Oc1cncnc1-c1ccc(OCc2ccccc2)cc1O 6756937 DDGPQPFEQHMGKL-UHFFFAOYSA-N 414.461 5.619 0 40 HKAB biogenic Cc1cc(C)c(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)c(Cl)c1 6997914 TVGPIUFGWSPPRV-UHFFFAOYSA-N 407.897 5.271 0 40 HKAB COc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)S1 7276527 YQESAMQDHXDBJW-UNOMPAQXSA-N 410.882 5.691 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2)c2cccs2)c1C 7277681 IBRMABSTQQIKJL-JOCHJYFZSA-N 418.587 6.880 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4cccc(C)c4)cc3)nc2c1 8196608 BHWCWOMYSYBJGU-GOSISDBHSA-N 414.505 6.334 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(C)cc4Cl)cc3)nc2c1 8198217 ASRMJDNSJSQNTJ-INIZCTEOSA-N 418.924 7.222 0 40 HKAB COc1ccc2ccc(OCC(=O)N(Cc3ccccc3)Cc3ccco3)cc2c1 8558049 XUIJAMGUSSAJBW-UHFFFAOYSA-N 401.462 5.049 0 40 HKAB Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)c2ccc(Cl)cc2)n1 9250026 JQEYHKBFUPELER-UHFFFAOYSA-N 410.926 5.579 0 40 HKAB COc1cc(C(=O)Nc2c(-c3ccccc3)nc3ccc(C)cn23)cc(Cl)c1OC 9467844 PAEQZZUKYUWKMW-UHFFFAOYSA-N 421.884 5.233 0 40 HKAB Cc1sc2ncnc(Sc3ccccc3C(=O)NCc3ccccc3F)c2c1C 9544680 AIAIARUSSQBOGY-UHFFFAOYSA-N 423.538 5.528 0 40 HKAB O=C(c1ccc(COc2ccc(Cl)cc2Cl)o1)N1CCc2ccccc2C1 9678949 LGVLQCBDCUVVAZ-UHFFFAOYSA-N 402.277 5.364 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)C)cc2C)cc1 10314371 WHMLOVYSVXJYGD-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1OC 10542813 QIODIRGDVGHGOV-UHFFFAOYSA-N 413.926 5.902 0 40 HKAB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)Nc2ccccc2O)cc1 11680032 FFKRJVVUPLOBOH-UHFFFAOYSA-N 404.441 5.260 0 40 HKAB CCc1cc2c(=O)c(-c3nc(C)cs3)c(N)oc2cc1OCc1cccc(C)c1 11867295 PCWLQJHWGOPOFE-UHFFFAOYSA-N 406.507 5.257 0 40 HKAB CSCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 12371849 VKHJSCXSYKYORB-QFIPXVFZSA-N 415.562 5.309 0 40 HKAB Cc1ccc2nc(/N=c3\cc(-c4ccccc4)oc4ccc(Cl)cc34)sc2c1 12374235 ZXRWVGXALUQFIE-LGUFXXKBSA-N 402.906 6.904 0 40 HKAB Cc1cc(=O)oc2cc(OC(C)C)c(CCC(=O)Nc3cccc4ncccc34)cc12 12409940 WAIVMHFGCKBJJR-UHFFFAOYSA-N 416.477 5.008 0 40 HKAB C[C@@H](Sc1nnc(N)s1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 12519971 KUYRKSNRRGOARP-LLVKDONJSA-N 401.948 5.025 0 40 HKAB O=C1[C@@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H]1c1ccccc1 12851080 CRLQJTSACHTAGF-LAJGZZDBSA-N 403.525 6.209 0 40 HKAB O=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1cccc(Br)c1 13101346 FFVHHSSIRSATRS-UHFFFAOYSA-N 415.287 5.075 0 40 HKAB COc1ccccc1[C@]1(CCN[C@H](C)c2ccc(Cl)cc2)CCO[C@@H](C(C)C)C1 13660063 DZYXLXFXKIWHKF-UKDVSSAZSA-N 416.005 6.162 0 40 HKAB Cc1c(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)oc2ccccc12 14141896 FABRQTNBDKDFOM-UHFFFAOYSA-N 409.536 5.295 0 40 HKAB Cc1ccc2c(c1)S[C@@H](CC(=O)c1ccc(I)cc1)S2 16348192 QRZBNZCREMLXOR-INIZCTEOSA-N 412.317 5.397 0 40 HKAB Clc1ccccc1COc1ccc(Br)cc1CNCc1ccccc1 16480111 GAKXPDYFAPPMCI-UHFFFAOYSA-N 416.746 5.971 0 40 HKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(S[C@H](C)c4ccccc4)ncnc32)c1 16757663 CUMSMNYZJHPVLT-HXUWFJFHSA-N 421.569 7.249 0 40 HKAB Cc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1 17090355 IEXMDVCGHZLCEO-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1NC(=O)c1ccccc1 17093347 BVIMPBZLJDDCHH-UHFFFAOYSA-N 422.912 5.697 0 40 HKAB COc1cccc([C@@H]2SCC(=O)N2c2ccccc2Oc2ccccc2)c1OC 17198448 PRHOQWFJLWKQIZ-QHCPKHFHSA-N 407.491 5.275 0 40 HKAB CCOc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1Cl 20411763 ZFLCSBMIMDSXQF-UHFFFAOYSA-N 418.902 5.166 0 40 HKAB CC(C)(C)c1cc([C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc(C(C)(C)C)c1O 21486913 JLTUNGLESXPLKI-JOCHJYFZSA-N 416.005 6.062 0 40 HKAB CCC(CC)C(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC 28284519 CYUSQBUQHDRXHV-UHFFFAOYSA-N 424.360 5.647 0 40 HKAB COc1ccc(-c2cc(-c3ccccc3Cl)c3cc(Br)ccc3n2)cc1 32616765 CQHAYBJDXDRFRC-UHFFFAOYSA-N 424.725 6.993 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 33600873 OIDHGBDLJNLIGO-UHFFFAOYSA-N 401.453 6.558 0 40 HKAB COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1Cl 33653348 NKSBMPGRYRCMKJ-UHFFFAOYSA-N 414.914 5.352 0 40 HKAB Oc1ccccc1-c1nc2ccc(Cl)cn2c1Nc1ccc(Br)cc1 35615993 AFOYJNVVBWPFSS-UHFFFAOYSA-N 414.690 5.866 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Oc2cnccn2)cc1 40112543 XBBYVUFPODMLJP-UHFFFAOYSA-N 424.819 5.277 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C)c1Cl 40913266 MPXJAHUCZNITDO-NSHDSACASA-N 406.231 6.035 0 40 HKAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1cc(Cl)ccc1Cl 58099193 RKVPLGSKRYAEEM-UHFFFAOYSA-N 402.346 6.455 0 40 HKAB CCOc1cc(C(=O)OC)cc(NC(=S)Nc2ccc(C)c(Cl)c2)c1OCC 71761797 GGIHFKZAHMUQCO-UHFFFAOYSA-N 422.934 5.041 0 40 HKAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cccc3ccccc23)S1 96118262 NJZKWLJAYGXQMC-OXJNMPFZSA-N 407.539 5.346 0 40 HKAB CCCCCc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCCCC)CC3)cc2)cc1 100003633 ILPSJDLONAPDJJ-GUOBSTCESA-N 420.637 8.493 0 40 HKAB CSc1cccc(NC2=C[C@H](c3ccccc3)N(c3cccc(SC)c3)C2=O)c1 103753724 BWNUZALCKBEOTH-HSZRJFAPSA-N 418.587 6.214 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219349644 KPGXGPXYBWTOJZ-XZOQPEGZSA-N 403.522 5.724 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 219353914 XGSBXOZOMFPXOZ-JOCHJYFZSA-N 415.493 5.014 0 40 HKAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223343817 OGFCWJUEBATSSR-OXJNMPFZSA-N 403.950 5.815 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccccc1Cl 224134204 WUAQZKQBBKIRRU-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccccc1Cl 224136026 OHFOQGDWELACKQ-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB Cc1ccc([C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c(C)c1 224380721 VVEYGQRKTODJGX-MIDMBNTASA-N 418.562 5.322 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1cccc(Cl)c1 224487149 HRISMKDOXCWCHY-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB C[C@H](CNC(=O)C1CCN(Cc2cccc(Cl)c2Cl)CC1)c1ccccc1 224540911 JUECYLQGAOMZID-MRXNPFEDSA-N 405.369 5.125 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224671621 UHWLVJHUXCDCAW-OAQYLSRUSA-N 420.597 5.048 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(OC(C)C)c1 225688043 PBDYYZWAFMMVSR-LJQANCHMSA-N 400.544 5.071 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 225847772 WVFCTFLGVCWCTF-HSZRJFAPSA-N 407.551 5.212 0 40 HKAB COCCOc1ccc(NC(=O)C(C)(C)Cc2ccc(C)cc2)cc1C(F)(F)F 225956997 AMIMKJHYICZTOL-UHFFFAOYSA-N 409.448 5.246 0 40 HKAB C(=C1/c2ccccc2[C@@H]2[C@@H]1O[C@@H]1/C(=C\c3ccccc3)c3ccccc3[C@H]12)\c1ccccc1 245240619 QTCLDESTKURNLW-DYUPCHAYSA-N 424.543 7.430 0 40 HKAB Cc1cc(C)c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c(C)c1 408621189 LMHUGTIOWVXUAD-UHFFFAOYSA-N 404.535 5.318 0 40 HKAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3ccccc3Cl)sc2n1 408625727 XXHVIXISXVFHDH-UHFFFAOYSA-N 418.975 5.309 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2cc(C)ccc2C)cc1 408694073 HYAKMFXTACBSNS-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 408708477 IJWUIWQDPBWWDD-UHFFFAOYSA-N 418.887 5.409 0 40 HKAB Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4cccc5ccccc45)n3c2c1 903034 XOCGFHGJPGTJNF-UHFFFAOYSA-N 412.518 5.383 0 40 HKAB O=C(c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N1CCc2ccccc2C1 991414 OGJXGFFUBUGLDN-UHFFFAOYSA-N 413.908 5.391 0 40 HKAB COc1ccc(OC)c(C(c2cc(OC)ccc2OC)C(Cl)(Cl)Cl)c1 1599526 HSCIEMUQAAQYLD-UHFFFAOYSA-N 405.705 5.223 0 40 HKAB CC[n+]1c(/C=C2/C=C(/C=C/N(C)c3ccccc3)CC(C)(C)C2)sc2ccccc21 1805787 PNRAEZWZTOAGRR-UHFFFAOYSA-N 415.626 6.989 0 40 HKAB O=S(=O)(NC1c2ccccc2Oc2ccccc21)c1cc(Cl)ccc1Cl 1865463 GRIDKXXSPQEGLN-UHFFFAOYSA-N 406.290 5.167 0 40 HKAB Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2cccc(C(F)(F)F)c2)c1 2068723 PJCSTJNURSHXSN-QFIPXVFZSA-N 409.451 6.267 0 40 HKAB Cc1c(NC(=O)c2ccc3c(c2)OCCO3)cccc1-c1nc2cc(Cl)ccc2o1 2194911 ULVJAEQHWUSEMG-UHFFFAOYSA-N 420.852 5.480 0 40 HKAB Nc1c(Br)cc2oc(-c3ccc(F)cc3Cl)nc2c1Br 2262653 GCXHJLPSTGNFGK-UHFFFAOYSA-N 420.463 5.395 0 40 HKAB Cc1ccc(C(=O)c2coc3cc(Br)c(O)c(Br)c23)cc1 2275019 PXUQCQQGLLBIJL-UHFFFAOYSA-N 410.061 5.203 0 40 HKAB CC1=CC(C)(C)Nc2ccc(OC(=O)[C@H](Sc3ccccc3)c3ccccc3)cc21 2282341 ONMUAPRDROTRGJ-XMMPIXPASA-N 415.558 6.733 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Sc1ccccc1)c1ccccc1 2310609 VLDGBAOQFIBNGG-IBGZPJMESA-N 421.871 6.831 0 40 HKAB O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(Cl)s1 2632039 WUAWIHQULMEFRQ-UHFFFAOYSA-N 404.846 5.159 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 3012973 CZNXWZQWVKVKDT-DZGCQCFKSA-N 410.783 5.042 0 40 HKAB COc1ccc(CCC2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1 3671864 OFGZUUNKRRQIJN-UHFFFAOYSA-N 412.986 6.321 0 40 HKAB CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C=C12 4084569 XNUXTLWJUVVMKR-HLMLHLEXSA-N 423.984 5.663 0 40 HKAB biogenic C[C@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 4784276 KTBPSSMXVPVMPV-WHLCRQNOSA-N 421.496 5.093 0 40 HKAB CC[C@H](C)NC(=O)c1c(N)n(-c2ccc([C@@H](C)CC)cc2)c2nc3ccccc3nc12 5029618 XAPCDZZNFJYILS-HOTGVXAUSA-N 415.541 5.198 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cc2ccccc2[nH]1)c1ccccc1 5036998 ZKKLMXAEYHPZOK-HSZRJFAPSA-N 414.461 5.022 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nc3ccc(Br)cc3s2)cc1 5119327 KLCAHSNJJVLITL-UHFFFAOYSA-N 405.317 5.490 0 40 HKAB O=C(Cc1ccccc1)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 5451281 VDVSNECIDHCKTK-UHFFFAOYSA-N 409.917 5.294 0 40 HKAB CCOc1ccccc1-c1nc(C(=O)NCc2ccccc2)cc2c1[nH]c1ccccc12 5907537 JTANUBKKFMGKQN-UHFFFAOYSA-N 421.500 5.712 0 40 HKAB biogenic COc1ccccc1N(C(=O)/C=C/c1ccco1)c1nc(-c2ccc(C)cc2)cs1 5937359 CSKHTPVVIREQSI-BUHFOSPRSA-N 416.502 6.098 0 40 HKAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 6478203 FWVJCAFCFPEILH-XYOKQWHBSA-N 417.538 5.245 0 40 HKAB Cc1cc(C(=O)COc2ccc3c(c2)[nH]c2ccccc23)c(C)n1Cc1ccccc1 6553647 HCXNWRVXZYZQTQ-UHFFFAOYSA-N 408.501 6.049 0 40 HKAB CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc([C@H](C)CC)ccc3o2)cc1 6709794 XLCRAJYIUHYPBI-MRXNPFEDSA-N 423.582 6.402 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc2c(c1)OCO2 6890724 VWZZLHFNXLZTFS-UHFFFAOYSA-N 408.413 5.629 0 40 HKAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)C1C[C@@H]2CCC[C@H](C1)C2=O 7780454 JCALPWBXVZRLRY-AJTWEZSDSA-N 415.489 5.031 0 40 HKAB Cc1cc(C)cc(N(C(=O)[C@H]2COc3ccccc3O2)c2nc3ccccc3s2)c1 8276336 QBANFNNLCVYJHU-OAQYLSRUSA-N 416.502 5.418 0 40 HKAB C[C@@H](NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1 8535295 VBHPEVWHABLCLW-LJQANCHMSA-N 401.937 6.923 0 40 HKAB C[C@@H](NCc1cc(Br)ccc1OCc1ccccc1F)c1ccccc1 8535314 ZYBKZFFVQHDYBD-MRXNPFEDSA-N 414.318 6.018 0 40 HKAB CCOCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1cccs1 9421131 LRXJJFAWHLXOCF-UHFFFAOYSA-N 422.554 5.389 0 40 HKAB COc1ccc([C@H](NC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C(C)C)cc1 9867877 KCVIYNVGDMTHGO-XMMPIXPASA-N 406.526 5.396 0 40 HKAB CCc1cccc(CC)c1NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 10660566 NGJMOSGDCKMMKN-UHFFFAOYSA-N 400.526 5.195 0 40 HKAB COc1ccc(N(Cc2cccs2)C(=O)c2ccc(Br)cc2)cc1 11916264 CVKVQZBAIZYMBC-UHFFFAOYSA-N 402.313 5.366 0 40 HKAB C[C@@H](NCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)c1cccs1 12567855 KMYNRXLQTWHNLR-RDTXWAMCSA-N 413.930 5.023 0 40 HKAB CCN(Cc1ccncc1)C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 12582901 WYXUXEPPWYLOSO-UHFFFAOYSA-N 410.930 5.106 0 40 HKAB Cc1ccc(NC(=O)c2cccc(OCc3cscn3)c2)c(Br)c1 12973238 GTDTZFOOZISQAQ-UHFFFAOYSA-N 403.301 5.045 0 40 HKAB Cc1ccc(C)c(C(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C32SCCS2)c1 13063656 XJYIGWSOBTWZFQ-AYHJJNSGSA-N 404.597 5.032 0 40 HKAB CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc(C)c2)cc1 13583773 WUWFNZDTSGKIOL-UHFFFAOYSA-N 412.489 5.082 0 40 HKAB N#CC(=Cc1ccccc1OCc1ccccc1Cl)S(=O)(=O)c1ccccc1 16777051 OVXRZSHYWFXREB-UHFFFAOYSA-N 409.894 5.257 0 40 HKAB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cc3ccc(Cl)cc3)n2)cc1C 17082114 IRNNNNZRYOYPMX-UHFFFAOYSA-N 400.953 7.152 0 40 HKAB CCCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3C)sc2c1 20894881 VPUGNWJZFHWDEP-UHFFFAOYSA-N 413.568 5.464 0 40 HKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(Br)cc1 22245804 XAIBRMXIBRRSNY-UHFFFAOYSA-N 406.280 5.349 0 40 HKAB CC(C)(C)C(=O)NCc1ccc(-c2csc(NCCc3cccs3)n2)s1 22310107 IGJGMGAZUWIKHN-UHFFFAOYSA-N 405.614 5.250 0 40 HKAB O=C1OC(c2ccc(Oc3ccccc3)cc2)=N/C1=C\c1c(O)ccc2ccccc12 25356179 WYEDJDVBDCNDAY-KQWNVCNZSA-N 407.425 5.682 0 40 HKAB O=C(NCc1ccc(-c2nc3cnccc3o2)cc1)C(c1ccccc1)c1ccccc1 32105529 AYMRFNXWBXKJOP-UHFFFAOYSA-N 419.484 5.338 0 40 HKAB CCOc1ccc(-c2ccc(SCc3nc(-c4ccc(CC)cc4)no3)nn2)cc1 33022030 ABXRPGTTYVMJOM-UHFFFAOYSA-N 418.522 5.447 0 40 HKAB O=C(COc1ccc(Cl)cc1Br)Nc1ccc(OC(F)(F)F)cc1 33756971 BMNAZJJYJDKPFL-UHFFFAOYSA-N 424.600 5.019 0 40 HKAB CC(=O)O/C(C)=C1/CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 33848823 DQHKOPGHSPUDFM-RDKLMWBYSA-N 400.559 5.718 0 40 HKAB C[C@H](c1cc2ccccc2o1)N(C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 36396660 HDENJHIMZPPPQU-CYBMUJFWSA-N 401.388 5.695 0 40 HKAB Cc1cccc(OCCn2cc(/C=C3/N=C(c4ccccc4)OC3=O)c3ccccc32)c1 41078051 KWAOIOYNVJBHKZ-JJIBRWJFSA-N 422.484 5.373 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 44839928 HGODTOGYAUUFER-HNNXBMFYSA-N 408.272 6.522 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 46078579 SDHXJJUKPGOELL-UHFFFAOYSA-N 414.505 5.239 0 40 HKAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cc2sccc2n1Cc1ccccc1F 49548756 PJHYBMOFTMOFBD-UHFFFAOYSA-N 410.518 5.537 0 40 HKAB CN(C)c1ccc(-n2c(SCc3cc(F)cc(F)c3)nc3ccccc3c2=O)cc1 67259077 RKYNEBPICMBBAS-UHFFFAOYSA-N 423.488 5.022 0 40 HKAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2C)n1 67296825 IJDKYBDYMRXVEE-RWEWTDSWSA-N 403.869 5.583 0 40 HKAB Cc1c(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)oc2ccccc12 96194139 KTVMPOGXUUJGSU-UHFFFAOYSA-N 401.278 5.881 0 40 HKAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@H](c4ccc(SC)cc4)C3=C(O)C2)cc1 102566150 AZLNSUWXRNQUEJ-KSFYIVLOSA-N 418.522 5.074 0 40 HKAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCC(C)C 106689685 AJNKTAMRJJQQJL-JAIQZWGSSA-N 415.486 5.106 0 40 HKAB CCCCOc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 210198120 YUWRUAJZFACYFS-XDHOZWIPSA-N 417.914 5.768 0 40 HKAB C[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)OCCO2 222655527 IVPPEMKLWKISOS-QGZVFWFLSA-N 405.519 5.241 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223346091 MHTUCCWSUXANJM-KSFYIVLOSA-N 420.018 6.529 0 40 HKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1cccc(CN2CCCCC2)c1 224670298 NMFLMWIPECOEQU-HXUWFJFHSA-N 408.586 5.054 0 40 HKAB COc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224961523 HREWGDAIIDQKOE-UHFFFAOYSA-N 404.853 5.923 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(OC)c3ncccc23)cc1 225502216 QYSJOVQYRNZGLY-HXUWFJFHSA-N 409.555 5.326 0 40 HKAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225689573 JLMBQBYIZMTGKO-XMMPIXPASA-N 404.595 5.111 0 40 HKAB Fc1cc(Br)ccc1NC(=S)NCCCc1cccc2ccccc12 225808923 TXBOJZZUFGMVAB-UHFFFAOYSA-N 417.347 5.661 0 40 HKAB Nc1ccc(F)c(NC(=O)c2ccc(-c3ccc(Br)cc3Cl)o2)c1 226765842 FTJSSZQPCRNKFZ-UHFFFAOYSA-N 409.642 5.336 0 40 HKAB COc1ccc(/C=C(/C(=O)Nc2cc(OC)c(Cl)cc2OC)c2ccccc2)cc1 408564203 SSKLAFANOBZTKO-CPNJWEJPSA-N 423.896 5.545 0 40 HKAB CCOc1cc(C(=S)NCc2ccccc2OC)ccc1OCc1ccccc1 408574703 MIDXQXMMCHKTGG-UHFFFAOYSA-N 407.535 5.138 0 40 HKAB Cc1cccc(C)c1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 408696357 AHHATKOEPCEXRO-UHFFFAOYSA-N 404.420 5.082 0 40 HKAB COc1cccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c1 408817034 STNQUFDRXFNWFT-FEQQAMHBSA-N 407.559 5.749 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1Cc3ccccc3[C@@H]21 408995937 CBWCMMXMHXYGTQ-QHAWAJNXSA-N 420.306 5.618 0 40 HKAB CCc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccncc2)cc1 409109007 ZKZOMRGEHUBSFU-UHFFFAOYSA-N 422.557 6.337 0 40 HKAB Cc1ccc(COc2ccc(CNc3cccc(C)c3C)cc2Br)cc1 409122293 XLBGRYVTSCESHY-UHFFFAOYSA-N 410.355 6.565 0 40 HKAB Cc1ccc(NCc2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1C 409131436 JKDACROMWLOJOV-UHFFFAOYSA-N 401.937 7.301 0 40 HKAB Cc1sc(NC(=O)CC[C@H](O)c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1 409195916 SNAGLFOSIBBUAD-KRWDZBQOSA-N 421.349 5.878 0 40 HKAB CCC(=O)Nc1ccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C)cc1C 932944 TVQOAJRCIDLLIG-UHFFFAOYSA-N 421.566 5.548 0 40 HKAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)cc1 993401 ICZHVFNQZHGQJV-HXUWFJFHSA-N 413.517 5.279 0 40 HKAB CCOC(=O)c1cc(-c2nnc(-c3ccc(Oc4ccccc4)cc3)o2)c(C)nc1C 1073241 KYBUOUFHEZWFDW-UHFFFAOYSA-N 415.449 5.384 0 40 HKAB CCC(=O)N(CC[C@@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccc(OC)cc1 1797979 COVJIFILRBKASE-RUZDIDTESA-N 411.586 6.051 0 40 HKAB biogenic CCOC(=O)c1ccc(Oc2c(C)oc3cc(OCC=C(C)C)ccc3c2=O)cc1 2107519 GGSQVIUQXWFFPE-UHFFFAOYSA-N 408.450 5.415 0 40 HKAB biogenic Cn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1cccc(Cl)c1 2229247 ARXCFCYVFHTVIC-UHFFFAOYSA-N 414.962 5.164 0 40 HKAB O=C(Nc1nc2ccc(F)cc2s1)c1cccc2c(Br)cccc12 2386511 KWONXIWUPJMOSI-UHFFFAOYSA-N 401.260 5.603 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)CSc1nc2c(c(-c3ccccc3)n1)CCCC2 2417344 QQIMQYFFSBFFHJ-UHFFFAOYSA-N 413.546 5.787 0 40 HKAB O=C(CCOc1ccccc1)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 2663478 MHCODKCDRNJMQV-OAQYLSRUSA-N 418.924 5.539 0 40 HKAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C[C@H](C(C)(C)C)CC3 2685460 BELJGJNUIDGSSD-OAHLLOKOSA-N 415.530 5.832 0 40 HKAB CCCCOc1ccc(NC(=O)CSc2nc3ccc(OCC)cc3s2)cc1 2742429 AUJXFSFJGFADTE-UHFFFAOYSA-N 416.568 5.605 0 40 HKAB CC(C)(C)c1ccccc1NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 2769446 IADCBRKEYIKRBB-UHFFFAOYSA-N 420.463 5.884 0 40 HKAB Clc1ccc2oc(-c3cnc(Nc4ccc(Br)cc4)nc3)nc2c1 3031042 KEDBVLXERGMYEU-UHFFFAOYSA-N 401.651 5.444 0 40 HKAB O=C(Nc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)cc1)c1cccnc1 3039440 RVHJVXLCFUUKTA-UHFFFAOYSA-N 420.683 5.546 0 40 HKAB CN(C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CCCCC1 3205887 PGVMNNWZNBVWKC-QFIPXVFZSA-N 422.396 5.725 0 40 HKAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1c(Cl)cccc1Cl 3322456 VTQYZCMKMILGBX-JOCHJYFZSA-N 424.283 6.256 0 40 HKAB Clc1ccccc1[C@@H]1C[C@@H](c2ccc(OCc3ccccc3)cc2)n2ncnc2N1 3642322 UPBNHTULMAMQOF-GOTSBHOMSA-N 416.912 5.657 0 40 HKAB CCc1cccc(C)c1NC(=O)[C@@H](c1cccc(Oc2ccccc2)c1)N1CCC1=O 4672492 JVJGSFGMYCYXBN-RUZDIDTESA-N 414.505 5.262 0 40 HKAB CC(C)(C)C1CCC(OC(=O)CCCC(=O)NCC23CC4CC(CC(C4)C2)C3)CC1 4720874 SFLBRADTLNUYIK-UHFFFAOYSA-N 417.634 5.637 0 40 HKAB Cc1cc(OCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc(C)c1Cl 5749890 QIFDYJBOYPFMOK-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB CCCCc1ccc(N/C=C2/C(=O)N(c3cccc(C)n3)C(=O)c3ccccc32)cc1 6026261 QXGHNQKQOKPKOQ-HAVVHWLPSA-N 411.505 5.373 0 40 HKAB CN(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C1CCCCC1 6567110 KQHLGSNOXAGQEZ-UHFFFAOYSA-N 405.567 5.627 0 40 HKAB CCCCN(CCCC)CCCNC[C@H]1C(=O)O[C@H]2C[C@@]3(C)CCCC(C)=C3C[C@@H]21 6656218 JZPFBQTVTHEIAT-WUUJFSMWSA-N 418.666 5.327 0 40 HKAB CC(C)Oc1ccc(CNCC[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2)cc1 6719495 ZITQIHZELMQBKV-RUZDIDTESA-N 411.948 6.578 0 40 HKAB COc1cc2c(cc1/C=C/C(=O)N1CCC[C@@H]1c1nc3ccccc3s1)O[C@H](C)C2 7778042 PWRCQJFFXCOSSL-XLMAXXKQSA-N 420.534 5.005 0 40 HKAB CCOc1cc(CN[C@@H](C)CC)cc(Br)c1OCc1ccccc1F 8326647 SJXSMJZWTYFLGU-AWEZNQCLSA-N 410.327 5.454 0 40 HKAB COc1cc(CNCc2ccccc2)cc(Br)c1OCc1ccccc1 8470311 CRNMCSPZIANBOF-UHFFFAOYSA-N 412.327 5.327 0 40 HKAB Cc1ccc(C)n1N(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1Cl 8475562 YUOSJRCDMKAMGC-UHFFFAOYSA-N 407.728 6.044 0 40 HKAB COc1cc(CN[C@H](C)c2ccncc2)ccc1OCCOc1ccccc1Cl 8707026 CQZCIZAIKFZXBN-QGZVFWFLSA-N 412.917 5.052 0 40 HKAB COCCOC(=O)c1c(C)n(-c2ccc(C)c(Cl)c2)c2c1cc(O)c1ccccc12 8783001 MFRFBIVUFSNZPZ-UHFFFAOYSA-N 423.896 5.563 0 40 HKAB biogenic,in-vitro Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1C 9056730 DTAVCAMYXWLNIG-UHFFFAOYSA-N 421.327 7.078 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1nc(SCc2ccc(F)cc2)ncc1Cl 9184561 UFSIUQJULCBCKJ-UHFFFAOYSA-N 408.285 5.467 0 40 HKAB O=C(CSc1nc2cc(Cl)cnc2[nH]1)Nc1ccc(Cl)c(C(F)(F)F)c1 9292832 KDOHRIMVOUFBQS-UHFFFAOYSA-N 421.231 5.014 0 40 HKAB Cc1cccc(NC(=O)Nc2nc(C(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)cs2)c1 9318450 HFJMDSFGUYPTQN-ZBFHGGJFSA-N 400.548 5.040 0 40 HKAB Cc1nc(-c2ccc(CNC(=O)COc3ccccc3-c3ccccc3)s2)cs1 9512384 XHNCRDMPLNRYNM-UHFFFAOYSA-N 420.559 5.542 0 40 HKAB Oc1ccc(-c2nc(-c3ccc4c(c3)sc3ccccc34)c(-c3ccccc3)[nH]2)cc1 9601561 WMYYJQHRIUZCKF-UHFFFAOYSA-N 418.521 7.484 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)c(C)c1 10446258 KZWJJFSQESXESM-UHFFFAOYSA-N 405.519 5.716 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](Nc2ccc3c(c2)OCCCO3)c2ccccc2)c1 12555410 WYZQNHPADLUVGE-DEOSSOPVSA-N 402.494 5.257 0 40 HKAB c1ccc(-c2nnc(-c3ccccc3)c(-c3nc4ccccc4[nH]3)c2-c2ccccc2)cc1 12576374 ZVGTXZIZTSUMDH-UHFFFAOYSA-N 424.507 7.021 0 40 HKAB O=C(OCc1c(Cl)cccc1Cl)c1cn(-c2ccccc2)nc1-c1ccccc1 12621214 WHGSJJXSRJXRCS-UHFFFAOYSA-N 423.299 6.203 0 40 HKAB COc1ccccc1[C@@H](C)NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 13115841 KVGNRCZEMDPUPV-CQSZACIVSA-N 423.513 5.093 0 40 HKAB c1cncc(-c2nc(N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)c3ccccc3n2)c1 14123967 OHRFSFNBXLCMMX-JOCHJYFZSA-N 424.504 5.195 0 40 HKAB CCn1c(-c2ccco2)nn(CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)c1=S 14197194 XXLHQXDDCHXUAZ-NRFANRHFSA-N 422.529 5.512 0 40 HKAB COc1ccc(OC)c([C@@H]2CCCN2Cc2cc3ccc(OC)cc3nc2Cl)c1 14672880 PUHDXFXVFFVIDC-NRFANRHFSA-N 412.917 5.251 0 40 HKAB C[C@H](OC(=O)c1ccc(Cl)nc1)C(=O)Nc1ccccc1Sc1ccccc1 15706236 NEBIITIURRQNKR-AWEZNQCLSA-N 412.898 5.070 0 40 HKAB Fc1ccc(CNCc2cc(Br)ccc2OCc2ccccc2)cc1 16480561 QAEJLXIARMWABB-UHFFFAOYSA-N 400.291 5.457 0 40 HKAB Cc1nc(COc2cccc(C(=O)NC(c3ccccc3)c3ccccc3)c2)cs1 16706305 XAIIJDLCVLWPFC-UHFFFAOYSA-N 414.530 5.550 0 40 HKAB O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1cccc2c(Cl)cccc12 17088352 GCALNKOHIUEOFE-UHFFFAOYSA-N 409.725 5.927 0 40 HKAB Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1 17088557 QTVYYJSLPKBNMK-BXXSPATCSA-N 410.517 5.479 0 40 HKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1 17088766 NGXOFLKIBVSQCN-UHFFFAOYSA-N 411.288 6.616 0 40 HKAB COc1cccc(C(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)c1OC 19691126 IITDBASTJCOQJK-UHFFFAOYSA-N 416.521 5.094 0 40 HKAB CSc1nc(SCc2ccccc2Cl)c2c3c(sc2n1)CN(C)CC3 20392488 WUCPPSQIFVOVEA-UHFFFAOYSA-N 408.017 5.347 0 40 HKAB Cc1nccn1-c1ccccc1CNC(=O)c1ccccc1SCc1ccccc1 20461160 GAGMUYUKUGANMB-UHFFFAOYSA-N 413.546 5.403 0 40 HKAB Clc1ccc([C@@H](c2ccccc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1 22026393 ZSQANMZWGKYDER-GYAHLDOBSA-N 402.969 5.760 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCSCc1ccccc1F 22515602 VQWAPCLKJAHUAO-UHFFFAOYSA-N 418.386 5.415 0 40 HKAB O=C(OCc1nc(-c2ccccc2)no1)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 23292206 LQZCBDONHJYEMJ-IAGOWNOFSA-N 419.506 5.364 0 40 HKAB Cc1csc(SCc2ccc(C(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)cc2)n1 23765687 PAMJCTJUBIEKGU-CQSZACIVSA-N 418.534 5.855 0 40 HKAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc(Cl)cc1F 24504857 ZYPHMMYZICNKHK-HNNXBMFYSA-N 410.876 5.565 0 40 HKAB COc1cc(CN[C@H](C)c2ccccn2)ccc1OCCOc1ccccc1Cl 25358956 RIDSONYIDRMEOK-QGZVFWFLSA-N 412.917 5.052 0 40 HKAB O=C(OCc1sc2ccccc2c1Cl)C1CCN(C(=O)c2cccs2)CC1 26887669 RZRMKJMUKXSTIL-UHFFFAOYSA-N 419.955 5.212 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)oc2c1 27993387 GNKKCGMWHJFFHA-FQEVSTJZSA-N 410.945 5.578 0 40 HKAB Cc1ccc(-c2ccc(SCc3nc(-c4ccc(Cl)cc4)no3)nn2)cc1C 33022085 YBUYSTNOJXETNC-UHFFFAOYSA-N 408.914 5.756 0 40 HKAB CCn1c(COc2ccccc2OC)nnc1SCc1ccc(Cl)cc1Cl 33654237 DFVLHRRSNKIDRV-UHFFFAOYSA-N 424.353 5.485 0 40 HKAB c1ccc(CN2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1 35425489 VKYDGONYYAMZDK-NRFANRHFSA-N 404.514 5.180 0 40 HKAB biogenic,in-vitro Cc1cccc(CNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 37547414 NFQXFLNLFJIJOR-UHFFFAOYSA-N 412.577 5.380 0 40 HKAB Cc1cccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 41076883 WORRBBZZJLQPIR-UHFFFAOYSA-N 421.953 5.777 0 40 HKAB CCc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)cc1 67294848 PXYPUAJEZBAOSX-PNHLSOANSA-N 417.896 5.837 0 40 HKAB O=C(CCc1ccccc1)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 72349043 YDMHTQROWDIUFR-JOCHJYFZSA-N 402.513 5.150 0 40 HKAB Cc1cccc(Nc2cccc([C@H]3CCCN3Cc3c(C)nn(C(C)C)c3C)n2)n1 72375800 WIFSCEGMGWHVIL-JOCHJYFZSA-N 404.562 5.260 0 40 HKAB Cc1cc(Nc2ccc(C(=O)O)cc2)c2c(Cl)ccc(Oc3ccccc3)c2n1 78401760 JILNHYUXZTVZEF-UHFFFAOYSA-N 404.853 6.431 0 40 HKAB CSc1ccccc1NC(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 79019461 XQBOTVUNDAIJLQ-LJQANCHMSA-N 410.518 5.697 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H](C(=O)O)[C@@H]([C@@]3(C)CCCCC3=O)CC[C@@]21C 85341241 CGYXDTVDPDQBGI-VUMWNPMISA-N 404.635 6.742 0 40 HKAB biogenic,in-vitro Cc1cc(C)c2nc(-c3ccc(-c4ccc(Cl)cc4Br)o3)[nH]c2c1 85345394 MVPDFZBGAVSWHJ-UHFFFAOYSA-N 401.691 6.523 0 40 HKAB CCC(=O)N1N=C(c2cccc(F)c2)C[C@H]1c1cc2ccc(OC)cc2nc1Cl 95116006 WMRVCVZCPKTHEU-FQEVSTJZSA-N 411.864 5.124 0 40 HKAB COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nn32)cc1 102678138 LUYZHXZKEDQYIE-NRFANRHFSA-N 418.522 5.251 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)cc1 224197089 XYWCLDZACZXHSH-DQEYMECFSA-N 424.573 5.666 0 40 HKAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)c1C 224297289 BUTJJGBKTLWMAP-XZOQPEGZSA-N 404.583 5.314 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1CSc1ccc(C)cc1 224337718 BBZVUMJITSXFET-UHFFFAOYSA-N 415.917 6.341 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1cc(C)cc(C)c1 224533724 SQQATMQYTJMDTC-UHFFFAOYSA-N 419.521 5.932 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(CN3CCCCC3)cc2)c1 224536269 OCDXAWDGQFJNIX-OAQYLSRUSA-N 408.586 5.188 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1ccccc1C(C)C 224564537 AGUQSYPABVVQCV-UHFFFAOYSA-N 417.549 6.602 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1cc(C)cc(C)c1C 224610760 LLMAWUVOPNDFML-UHFFFAOYSA-N 419.521 5.850 0 40 HKAB Fc1ccc(NC(=S)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 225460242 KXDRZCAPPCEWOA-UHFFFAOYSA-N 402.947 6.580 0 40 HKAB C[C@@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 225534244 KBGJHZDKDDGRMO-JOCHJYFZSA-N 420.597 5.780 0 40 HKAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 226282955 OPFRENHTIBJGIS-UHFFFAOYSA-N 403.187 5.717 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253497789 LZHRRGGNNXYJOT-WSVLGMEMSA-N 402.663 6.360 0 40 HKAB Cc1cc(C)n(-c2cccc(C(=O)N3CCC[C@@H](Cc4cccc5ncccc45)C3)c2)n1 257234332 GTAKHUGOBNJKAM-NRFANRHFSA-N 424.548 5.132 0 40 HKAB O=C(Cc1cccc(Cl)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C12CCCCC2 257296817 REMVWBYMLWKFEU-UPVQGACJSA-N 423.000 5.176 0 40 HKAB S=C(NCc1ccccc1)c1ccccc1OCc1ccc(Cl)c(Cl)c1 408575310 NSITXJZZCLEXCE-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 408576413 XWRLSLIUIHQPBC-WSYSLRRZSA-N 420.534 5.692 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1C 408628240 RHVYPRZUZFFOTO-UHFFFAOYSA-N 402.519 5.906 0 40 HKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccccc2)nc1-c1cccc(Cl)c1 408699245 SKEUVGGLWNXTSF-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB CC(C)Oc1cccc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1 408714658 UGEHXDVFCNXUJZ-UHFFFAOYSA-N 407.514 5.094 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)cc2-c2cccc3ccccc23)cc1 408724126 FVIXUZMVRMJEJL-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB Cc1c(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1 408824004 OYTYWZAQTSMYJD-JLPGSUDCSA-N 424.525 6.239 0 40 HKAB CCCc1sc(NC(=O)c2ccccc2OC)nc1-c1cc(OC)cc(OC)c1 408827776 MQPBITFYGSQSKW-UHFFFAOYSA-N 412.511 5.041 0 40 HKAB Cc1ccc(C(=O)Oc2ccccc2/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1 408840390 BDMKKQXKTQTMLJ-XSFVSMFZSA-N 417.848 5.212 0 40 HKAB Cc1ccc(COc2ccc(/C=C3\C(=O)Nc4cc(C(F)(F)F)ccc43)cc2)cc1 409098693 JIQPNHMJPIPRLT-MTJSOVHGSA-N 409.407 6.086 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OCC 409125271 JPSSJFMFECCBLF-LTGZKZEYSA-N 411.523 5.153 0 40 HKAB Cc1ccc(Cl)cc1-c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 409233925 URFWFCHYHXJBLF-WOJGMQOQSA-N 413.260 5.659 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 728184 OMORMLDUICHFAW-UHFFFAOYSA-N 424.891 5.969 0 40 HKAB CC(C)C(=O)Nc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 814732 JBBLOJSXVIZEAJ-UHFFFAOYSA-N 407.322 6.055 0 40 HKAB CCc1ccc(-c2nc3cc(NC(=O)c4ccccc4Br)ccc3o2)cc1 826467 CKIBIZGYRIZCIK-UHFFFAOYSA-N 421.294 6.072 0 40 HKAB Cc1ccc(S(=O)(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1 994209 GQTBPJPEBWXHGB-UHFFFAOYSA-N 421.465 6.005 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c(C)c1 1266034 ZCLICVSMFPYJSU-UHFFFAOYSA-N 413.304 6.115 0 40 HKAB C[C@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc2N1C(=O)c1ccccc1 1381819 CLKIDUWUSJCONU-INIZCTEOSA-N 424.422 5.288 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)c4ccc(Br)cc4)ccc3o2)cc1 1413870 VZCUZMOKRCCKDL-UHFFFAOYSA-N 423.266 5.518 0 40 HKAB CC1(C)[C@@H]2CCC[C@@]1(CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl)C2 1732243 UEYXQFUTFAEKDZ-CWTRNNRKSA-N 405.749 6.175 0 40 HKAB CCN(CC)CCOc1cccc(CN[C@H](C)CCC2=C(C)CCCC2(C)C)c1 1758915 DWHJPYUMVRNVAT-JOCHJYFZSA-N 400.651 6.192 0 40 HKAB CC(C)(C)c1ccccc1OC(=O)c1cc2cc(Br)ccc2oc1=O 1771920 SPONXTUIIXVZIZ-UHFFFAOYSA-N 401.256 5.072 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCc3cccc(Cl)c3)cc12 1797716 LLEDIMNBFMBDNY-UHFFFAOYSA-N 406.865 6.509 0 40 HKAB biogenic CCc1ccc(-c2csc(NC(=O)c3ccc(C)s3)c2C(=O)OC(C)C)cc1 2108003 IYMPOXZFJRYBRZ-UHFFFAOYSA-N 413.564 6.165 0 40 HKAB Cn1c(NC(=O)c2ccccc2Cl)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 2196789 OQSGUUPGJRZKKV-UHFFFAOYSA-N 423.299 5.765 0 40 HKAB CC(C)[C@H]1Cc2c(sc3nc(SCc4ccc(Cl)cc4)nc(N)c23)CO1 2232121 IVNKTRVZVXXXMR-CQSZACIVSA-N 405.976 5.317 0 40 HKAB Cc1cc(SCC(=O)Nc2ccc(C)c(C)c2)n2nc(C)c(-c3ccccc3)c2n1 2238824 XQNWFPLIQJJZEG-UHFFFAOYSA-N 416.550 5.361 0 40 HKAB Cc1ccc(-n2c(SCCC(C)C)nc3sc4c(c3c2=O)[C@@H](C)CCC4)cc1 2262562 GULPCGAZSWCQDB-INIZCTEOSA-N 412.624 6.334 0 40 HKAB O=P(Nc1cccc2cccnc12)(Oc1ccccc1F)Oc1ccccc1F 2291455 FJXAKWIJDNANMV-UHFFFAOYSA-N 412.332 6.191 0 40 HKAB Cc1ccc(-c2nc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)sc2C)cc1 2749543 FJWMULGOWGIVHP-HAVVHWLPSA-N 410.542 6.606 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)C(F)(F)Oc1cccc(C(F)(F)F)c1 3117000 GHEMKMSVOOYCEG-UHFFFAOYSA-N 400.130 5.623 0 40 HKAB Cc1cccc(C(=O)O[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)c1 3294421 XNLUPQWCSWCUFG-FQEVSTJZSA-N 414.288 5.839 0 40 HKAB Fc1ccccc1CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1 3415420 ZXAXJYRRVZRQKF-NRFANRHFSA-N 419.481 5.211 0 40 HKAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 3423668 DYYJXHBRLYUTJO-NRFANRHFSA-N 418.924 5.498 0 40 HKAB CCOc1ccc(OCCSc2nnc(Nc3ccc(C)c(C)c3)s2)cc1 3435863 GSMGRLRFXLBNNU-UHFFFAOYSA-N 401.557 5.468 0 40 HKAB C[C@H]1CCc2c(sc3ncnc(Oc4ccc(NC(=O)c5ccco5)cc4)c23)C1 3449997 SITFMHUXAIDYGA-ZDUSSCGKSA-N 405.479 5.454 0 40 HKAB CC[C@H](c1ccccc1)[C@@](O)(c1ccc(OCCN2CCCC2)cc1)c1ccco1 3846965 MMNKRZBIPYLJRJ-RSXGOPAZSA-N 405.538 5.184 0 40 HKAB biogenic Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)CC2 3875983 WGVKWNUPNGFDFJ-PFPZSTESSA-N 416.690 8.532 0 40 HKAB biogenic,in-vitro Cc1ccccc1C1(c2ccccc2C)C[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 4480346 JNGAHCPQAFNSQS-QFIPXVFZSA-N 409.451 6.267 0 40 HKAB C[C@H](NC(=O)c1cccc2c(Br)cccc12)C12CC3CC(CC(C3)C1)C2 4657368 RDRGMFDYQJRDOW-NSDYXAQKSA-N 412.371 5.937 0 40 HKAB Clc1ccc(-n2c(SCSc3ncccn3)nnc2-c2ccccc2)cc1 5687532 DHCACOHNSNNKDA-UHFFFAOYSA-N 411.943 5.220 0 40 HKAB COc1ccccc1CNC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]21 6050082 LOJGETLPSBIKHH-OZNIXHKMSA-N 405.626 6.619 0 40 HKAB Fc1cccc(COc2ccc(C(=S)N3CCCCC3)cc2Br)c1 6224955 HDPPLLDRIVLRFD-UHFFFAOYSA-N 408.336 5.329 0 40 HKAB COc1ccc(OC)c2c1[C@@H]1CCCC[C@H]1O[C@@H]2c1ccc(Br)cc1 6668312 XUCXXQOFQMYVJS-WHSLLNHNSA-N 403.316 5.612 0 40 HKAB COc1ccc(CNCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 7538455 METCPXIEEOMIFP-UHFFFAOYSA-N 402.321 5.871 0 40 HKAB CC(C)Oc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)[nH]2)C(=O)O)cc1 7603324 YYSRQKSWHXPMPH-BOPFTXTBSA-N 415.902 5.130 0 40 HKAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(-c2ccc(F)cc2)o1 7960662 JIAINEHCCINUHP-UHFFFAOYSA-N 416.456 5.323 0 40 HKAB CCCc1cc(=O)oc2cc(Oc3nc(-c4cccnc4)nc4ccccc34)ccc12 7983157 NLTAMQFBKASNDY-UHFFFAOYSA-N 409.445 5.543 0 40 HKAB Cc1ccc(-c2nn(Cc3ccccc3)cc2[C@H]2NC(=O)c3ccccc3N2)cc1C 8160003 DWUYWJHPNSAJDP-RUZDIDTESA-N 408.505 5.069 0 40 HKAB Cc1ccc2cc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C(C)(C)C)c(=O)[nH]c2c1 9158480 SCHYGUKPSFYZKE-UHFFFAOYSA-N 404.554 5.575 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 9235080 HLWSERMIFQCCSJ-JTQLQIEISA-N 417.214 5.004 0 40 HKAB CC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)C[C@H]1c1ccco1 9579597 AYQUYHHOFKPQOA-QHCPKHFHSA-N 410.477 5.138 0 40 HKAB O=C(Cc1csc(-c2cccs2)n1)Nc1ccc(-c2cn3ccccc3n2)cc1 10322172 CKGYYYZTTDQQGQ-UHFFFAOYSA-N 416.531 5.368 0 40 HKAB Cc1cc2oc(=O)cc(C)c2c2c1C(=O)C[C@@H](c1ccccc1OC(F)(F)F)O2 12408073 QOSAJPNBFDVQAF-HNNXBMFYSA-N 404.340 5.015 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)cc1NC(=O)c1ccco1 12797552 YJXHJUJCJYTONI-UHFFFAOYSA-N 412.445 5.885 0 40 HKAB CCN(C(=O)CSc1nnc2scc(-c3ccc(C)c(C)c3)n12)c1ccccc1 12878681 SMQVNOHQTMZHDJ-UHFFFAOYSA-N 422.579 5.220 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12891682 YFGRDVNQYSOKLV-SYNKRZKOSA-N 408.586 5.346 0 40 HKAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc1 12913216 YMKVRDGUZDKBQI-QGZVFWFLSA-N 416.546 5.265 0 40 HKAB Clc1ccc(OCc2nc3ccccc3n2CCC2CCCCC2)c(Cl)c1 13017768 YHVZGCWTZKLEJW-UHFFFAOYSA-N 403.353 6.893 0 40 HKAB COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OCc1ccccc1 13925098 AKCLVYDGGJVIOX-MOSHPQCFSA-N 419.864 5.272 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2C2CCCCC2)cc1 13942350 FDLLEWAYXDDHJV-MUUNZHRXSA-N 420.556 7.021 0 40 HKAB CCn1ncc2c(C(=O)N(C)Cc3ccc(SC)cc3)cc(-c3ccccc3)nc21 14068626 QXAOFBSNKCKPNI-UHFFFAOYSA-N 416.550 5.112 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 16311970 HXJLSWAVBUDGBJ-UHFFFAOYSA-N 400.522 6.106 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1c1ccc(F)cc1 16451203 VXKOXQSDVLPQFM-DDOAZUFRSA-N 421.471 5.249 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccc(C)c(Cl)c3)nc2c1 17093299 DSCMNDGMTYPFNZ-UHFFFAOYSA-N 422.868 5.726 0 40 HKAB O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1cccc2c(Cl)cccc12 17093745 RMOIPXFKDQPHON-UHFFFAOYSA-N 423.969 5.610 0 40 HKAB CC[C@H](C)c1ccccc1OCCNc1cccc(OCCOc2ccccc2)c1 19738400 XDQPQVWIHPSWDF-NRFANRHFSA-N 405.538 6.149 0 40 HKAB O=C(CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(O)cc1)c1ccc(F)cc1 22059275 UEPZDXMEEKCJSP-FYYLOGMGSA-N 407.416 5.038 0 40 HKAB in-vitro COc1ccc([C@H](C)NC(=O)c2ccc(SCc3csc(C)n3)cc2)cc1F 23078248 KXWGTFZXHQKNAI-ZDUSSCGKSA-N 416.543 5.383 0 40 HKAB CC1(C)C[C@H](NCC[C@](C)(c2ccccc2)c2cccc(C(F)(F)F)c2)CCO1 32095833 XXMPDBUWKJDISG-FYYLOGMGSA-N 405.504 5.949 0 40 HKAB CC(=O)OC[C@@H](OC(C)=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C 33950273 RZMRLFZKLOVKNA-ZZPPOGJJSA-N 404.591 5.530 0 40 HKAB CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3cc2CC2CCCC2)c1 35288708 QEGQWUQLXPVSMJ-UHFFFAOYSA-N 418.562 5.901 0 40 HKAB CCOc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)S1 35645910 KVGJIRJRJPZJEK-MOSHPQCFSA-N 424.909 6.081 0 40 HKAB O=C1N/C(=N\c2ccccc2Br)S/C1=C\c1cccc2ccccc12 35647871 BMBVWIHYGFQCCV-PDGQHHTCSA-N 409.308 5.494 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CN2CCCCCC2)cc1 44855707 TZIGBAXAXOFDTP-QHCPKHFHSA-N 422.569 5.103 0 40 HKAB CC[C@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(C)cc1C 44856687 DMYPHZDRAORKDS-QHCPKHFHSA-N 416.968 5.575 0 40 HKAB CN(Cc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1)C(=O)OC(C)(C)C 47974461 XZSADLPUYGUJAM-UHFFFAOYSA-N 408.420 5.325 0 40 HKAB Cc1cc(CSc2ncccc2C(=O)Nc2nc3c(s2)CCCCCC3)no1 55375042 JVTLTQMJWWLSKG-UHFFFAOYSA-N 414.556 5.038 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(F)c2C)cc1 67297793 LUOWSCGGGMGNBF-PNHLSOANSA-N 402.425 5.374 0 40 HKAB Cc1ccc(C(=O)C2CCN(C(=O)NCc3cccc(OC4CCCC4)c3)CC2)cc1 70007638 MSRNQHIRXVRKIG-UHFFFAOYSA-N 420.553 5.121 0 40 HKAB Cc1ccc([C@@H](c2ccccc2C)N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 72265285 OGANKKOANZVVNE-SANMLTNESA-N 413.565 5.551 0 40 HKAB CCN1C(=S)N[C@H](c2ccc(Cl)cc2)C(c2nc(-c3ccccc3)no2)=C1C 98212152 WZDGMNCSHFDYRF-GOSISDBHSA-N 410.930 5.072 0 40 HKAB CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1 106720424 MWMLBVSSRHKMTG-HMAPJEAMSA-N 403.503 5.864 0 40 HKAB CC[C@H](/C=C/[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118913881 CSVWWLUMXNHWSU-AAFKTUFTSA-N 414.718 7.881 0 40 HKAB biogenic,in-vitro CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C4(C)OCCO4)[C@@H]3CC[C@@H]2C1 118924289 IXDXUHKVPQMDIH-SGLYVMGASA-N 404.591 5.340 0 40 HKAB CCOc1ccc([C@H]2CCCN2C(=O)c2c(C)n(C)c3ccc(OCC)cc23)cc1 141583444 VTOXTRZNYOCVLR-JOCHJYFZSA-N 406.526 5.261 0 40 HKAB O=C(O)/C(=C/c1ccc(OCc2ccccc2)cc1)Sc1nc2ccccc2o1 211501116 GKGHNDFITXTJOW-STZFKDTASA-N 403.459 5.625 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1cccc3ccccc13)CC(C)(C)O2 219046210 ORKRXZOEBGACAX-IIBYNOLFSA-N 405.494 5.034 0 40 HKAB CCCSc1nnc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)s1 222746409 CJNKOQHCYVRGNM-UHFFFAOYSA-N 408.401 5.219 0 40 HKAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1C 223453131 PQMMHZDZFKOYOI-LJQANCHMSA-N 407.941 6.335 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)c1 224252505 KCBWTXPCMMHDSY-BJKOFHAPSA-N 410.546 5.358 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccc(OC)cc1 224597169 VORKJPPTCRAHSX-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CCCCC1 225013206 JJCXYTOXQUJEFM-ZEQRLZLVSA-N 422.642 5.920 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)cc1Cl 225274699 KHJPJUGOCHWSSG-NRFANRHFSA-N 415.917 5.192 0 40 HKAB CC(C)(C)c1ccc(-c2noc(CNC(=S)Nc3ccc(Cl)cc3)n2)cc1 225466453 BNJPNPIJERXMNR-UHFFFAOYSA-N 400.935 5.174 0 40 HKAB CC(C)Oc1ccc(CCCNC(=S)Nc2ccc(Br)cc2)cc1 225568056 JCFZQFOSVYLEHS-UHFFFAOYSA-N 407.377 5.156 0 40 HKAB CO[C@@H](CNC(=O)c1c(-c2ccccc2Cl)noc1C)c1ccc(Cl)s1 225703543 NHBZGNBBNJKZSQ-ZDUSSCGKSA-N 411.310 5.136 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225749802 WQTXITUSWDIYKN-PXDATVDWSA-N 418.622 5.501 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2ccccc12 225778149 RAXNPPUWRXMWOT-UHFFFAOYSA-N 423.940 5.969 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C(F)(F)F 225955092 WOSHJRJSYXPIMX-UHFFFAOYSA-N 405.460 6.333 0 40 HKAB Cc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3Cl)o2)cc1N 226765880 AICSSPPZIAOTGJ-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB S=C(NCc1ccccc1)c1ccc(OCc2ccc(Br)cc2)cc1 408574256 LIGLHCLMGGNEHN-UHFFFAOYSA-N 412.352 5.493 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc3ccccc3c2)nc1-c1ccc(F)cc1 408696843 FFZHERXSLYKICU-UHFFFAOYSA-N 422.463 5.787 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccccc2C)c1 408698570 ODQJNXSMOBKUGK-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)C1=O 409055086 CINBBYGHXPEWJM-MOSHPQCFSA-N 415.486 5.250 0 40 HKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc23)c(C)c1 409133611 NHMPTBOQDJKECP-UHFFFAOYSA-N 401.937 7.301 0 40 HKAB Cc1sc(NC(=O)CC[C@@H](O)c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1 409195917 SNAGLFOSIBBUAD-QGZVFWFLSA-N 421.349 5.878 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCc3ccc(C(=O)OC)o3)cc12 639082 YJHZSXPTTIHLAF-UHFFFAOYSA-N 420.417 5.235 0 40 HKAB biogenic CSc1nsc(SCc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)n1 1083509 CAOUJZRPQIZCMI-UHFFFAOYSA-N 401.582 5.421 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3nc(SCC(=O)c4ccccc4)nc(N)c23)C1 1100915 WCGQMFJLAONIQT-CQSZACIVSA-N 411.596 5.400 0 40 HKAB COCc1cc(Oc2ccc(Cl)cc2)nc(SCc2ccc(Cl)cc2)n1 1389110 UCFMBJLYPBZZQH-UHFFFAOYSA-N 407.322 6.014 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)cc1 2088161 RGWBANGGSLLXEG-UHFFFAOYSA-N 406.407 6.481 0 40 HKAB COc1ccc([C@@H](CCNC(=O)C[C@H](Cc2ccccc2)c2ccco2)C(C)C)cc1 2092474 MIXSEIOQJWDTQT-ZCYQVOJMSA-N 419.565 5.951 0 40 HKAB biogenic CCCCCCc1c(C)c2ccc(OC(=O)c3cccc(OC)c3)c(C)c2oc1=O 2145577 MMQYPAUIOBXGJO-UHFFFAOYSA-N 408.494 5.760 0 40 HKAB biogenic CC(C)(C)c1cc(N2CCN(C3CCCCC3)CC2)n2ncc(-c3ccccc3)c2n1 2237616 MKYFAPXIXAKPQJ-UHFFFAOYSA-N 417.601 5.149 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc3c(Cl)cc(Cl)cn23)cc1 2649453 AXXAZBIHVNHTCD-LLVKDONJSA-N 409.342 5.280 0 40 HKAB CCCCSc1nnc2c(n1)O[C@H](c1ccc(OC)c(C)c1)Nc1ccccc1-2 2737182 XIAUABGEXLIQMD-HXUWFJFHSA-N 408.527 5.251 0 40 HKAB O=C(NCCC(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 3166084 LMRDWMVRJNJYIQ-UHFFFAOYSA-N 405.541 6.157 0 40 HKAB in-vivo O=c1[nH]c(SCc2cccc(C(F)(F)F)c2)nc2scc(-c3cccs3)c12 3326322 DHBWBIFZOKSBSF-UHFFFAOYSA-N 424.494 6.024 0 40 HKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)Oc1ccc(F)cc1 3330139 HVJCKQPHXQDDLJ-AWEZNQCLSA-N 413.470 5.137 0 40 HKAB CCc1ccc(-c2csc(NC(=O)c3cc(Br)ccc3Cl)n2)cc1 3455853 MTTDXAHGZHHLSQ-UHFFFAOYSA-N 421.747 6.041 0 40 HKAB Cc1c(O)ccc([C@@]23CCCC[C@H]2C2(CCCCC2)c2ccc(O)c(C)c2O3)c1O 3626369 FVHKEAUPKRWEDW-NVQXNPDNSA-N 408.538 6.100 0 40 HKAB C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 3669342 KISIWYKVWMQNCM-RNRLWQTKSA-N 408.328 6.475 0 40 HKAB CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 4280306 RRPWBJYIJOLQJU-HSZRJFAPSA-N 410.477 5.138 0 40 HKAB CC1(C)[C@H]2CC[C@H](CCOC(=O)COc3cc(Cl)c(Cl)cc3Cl)[C@@H]1C2 4748197 UGOBKUJFKZIHDK-AGIUHOORSA-N 405.749 6.031 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)c1 4832499 OVFQLCRSJXBVIC-UHFFFAOYSA-N 400.478 6.234 0 40 HKAB Cc1ccc(Cn2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 5100968 ZJOMNTBJXPIULF-UHFFFAOYSA-N 414.509 5.013 0 40 HKAB Cc1cc(C)c2nc(N3CCN(C(=O)c4cccc5ccccc45)CC3)sc2c1 5182350 MZENNWGACYDBIC-UHFFFAOYSA-N 401.535 5.029 0 40 HKAB Cc1ccc(C(=O)Nc2c(-c3cccc4ccccc34)c(=O)c3ccccc3n2C)cc1 5271830 GMBIEOSEERFHCR-UHFFFAOYSA-N 418.496 5.919 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(Br)cc2C)cc(OCC)c1OCC 5592979 ZKWGJMQSOCUPRT-UHFFFAOYSA-N 422.319 5.206 0 40 HKAB Cc1noc(C)c1CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 6232775 FQVWBSZPPWKCLT-UHFFFAOYSA-N 410.930 5.544 0 40 HKAB Cc1ccccc1Cn1c([C@@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 7542490 UYNGMISDDPLTCI-LJQANCHMSA-N 415.924 5.567 0 40 HKAB COc1ccccc1CN(C)C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 7737949 ZHLFOPVGUSQMLY-UHFFFAOYSA-N 417.534 5.136 0 40 HKAB COc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1 8396997 VLBKSUVJJWLCAW-UHFFFAOYSA-N 423.266 5.518 0 40 HKAB Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2cccs2)C1 8624098 JLLXGSAJXYSECP-UYAOXDASSA-N 419.594 5.690 0 40 HKAB biogenic,in-vitro CC1=C(C(=O)Nc2cc(C)cc(C)c2)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 8767131 YTVAOPWZDOGGAE-SFHVURJKSA-N 420.365 5.042 0 40 HKAB CC1=C(C)[C@@H](Nc2cccc(C(F)(F)F)c2)N([C@@H](C)CCc2ccccc2)C1=O 9113663 VFGKZQCEBFNUTJ-BTYIYWSLSA-N 402.460 5.643 0 40 HKAB COc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc(OC)c1 9233114 ZZXYRCQRPLOQND-CAOOACKPSA-N 424.305 5.247 0 40 HKAB CC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc3ccccc23)cc1 9423509 LFPWNBZCTBCMIP-VWLOTQADSA-N 407.473 5.569 0 40 HKAB Cc1cc(NC(=O)[C@@H](Sc2nc(C)c(-c3ccccc3)[nH]2)c2ccccc2)no1 9667850 UGZBKZDKOVCDHW-FQEVSTJZSA-N 404.495 5.154 0 40 HKAB COc1cc(OC)c([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1OC 9731267 LHZSDJAGDKHODQ-GAJHUEQPSA-N 422.506 5.016 0 40 HKAB CC1=C(C(=O)Nc2cc(C)ccc2C)[C@@H](c2ccc(Cl)cc2Cl)NC(=S)N1 12377824 DHFTXTSTQGQOOY-GOSISDBHSA-N 420.365 5.042 0 40 HKAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1ccccc1-c1ccccc1 12679054 BHTJSQXNFGNKOC-OAHLLOKOSA-N 419.481 5.662 0 40 HKAB Cc1sc2nc(CN3CCCC3)nc(Oc3ccc4c(C)cc(=O)oc4c3)c2c1C 12819214 SLKRLFQSKHTZJA-UHFFFAOYSA-N 421.522 5.111 0 40 HKAB CC(=O)Nc1ccc(Sc2nc(CN3CCCC3)nc3sc(C)c(C)c23)cc1 12847395 DUFJTPWXAFQLEH-UHFFFAOYSA-N 412.584 5.014 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CN[C@@H](C)c3ccccc3Cl)ccc21 13039925 CHHJFZCLBIJVLT-INIZCTEOSA-N 405.929 5.757 0 40 HKAB Cc1cc(C)cc(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)c1 14135898 KEGVLYNKXPLQLO-UHFFFAOYSA-N 412.489 5.159 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)NCCc3csc(-c4ccccc4)n3)sc2c1 15832788 FBQDKKROWPVCGC-UHFFFAOYSA-N 412.967 5.959 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccco3)N3CCCCC3)sc2c1 15859879 XYKCEMHTXVHQKA-INIZCTEOSA-N 402.947 5.413 0 40 HKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)/C=C\c2ccccc2)cc1 16954144 AYPOYYLFJHVUAP-WJDWOHSUSA-N 412.445 5.346 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc2c(Cl)c(Cl)ccc2s1 17090410 NJPKDGGJGUIOGB-UHFFFAOYSA-N 415.729 6.053 0 40 HKAB O=C(NC(=S)Nc1ccccc1S)c1cccc2c(Br)cccc12 17091007 CXNZFGJNURXAIH-UHFFFAOYSA-N 417.353 5.018 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1 17093079 WARYNKFFAKLLBT-UHFFFAOYSA-N 422.484 6.228 0 40 HKAB COc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)ccc1OCc1cccnc1 24842646 MSOWCLFIFFBSGA-HSZRJFAPSA-N 424.928 5.450 0 40 HKAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCc2sccc2[C@H]1c1ccccc1 25900253 YKDZUHVBEVRFOH-RUZDIDTESA-N 421.610 5.324 0 40 HKAB C[C@@H](Sc1nccn1-c1ccc(Br)cc1)c1nc(-c2ccco2)no1 29739678 MIMVLAHLJGMVRA-LLVKDONJSA-N 417.288 5.131 0 40 HKAB CC1(C)C[C@@H](NCC[C@](C)(c2ccccc2)c2cccc(C(F)(F)F)c2)CCO1 32095831 XXMPDBUWKJDISG-JTHBVZDNSA-N 405.504 5.949 0 40 HKAB Cc1ncc(NC(=O)c2c(F)cccc2Cl)n1-c1nc(-c2ccccc2)cs1 35682931 PMIYJYPTQRPXRR-UHFFFAOYSA-N 412.877 5.349 0 40 HKAB C[C@]12CC[C@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1c2nc2ccccc2c1C(=O)O 38138643 ACZYWQWUZBYEPB-QGPYNHGBSA-N 417.549 5.270 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C(C)=O)cc1 49005061 ZCGXNQODHBSFBU-HXUWFJFHSA-N 416.525 5.289 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1ccc(OCc2nc(C3CC3)cs2)cc1 56907793 FQAQLZFKGURAED-UHFFFAOYSA-N 414.914 5.514 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cccc(Cl)c3F)oc12 67293568 QBUHHQWOKWUMBK-ROMGYVFFSA-N 423.831 5.114 0 40 HKAB CC1(C)[C@H](Cc2cc(COc3ccccc3)on2)C[C@@H]1NC(=O)Nc1ccccc1 67889983 HQLPEAURCSIKGT-VGSWGCGISA-N 405.498 5.033 0 40 HKAB biogenic,in-vitro COc1ccc(C(C(=O)c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)cc1 77273560 RYJABGGDHWJYNO-UHFFFAOYSA-N 408.497 5.921 0 40 HKAB in-vitro COc1cccc(CNCCCCc2nc(-c3cccnc3)cs2)c1OC(C)C 78869807 QUTLSYNGNSZGNA-UHFFFAOYSA-N 411.571 5.113 0 40 HKAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)S1 85411831 LPYDHLVFZXNVKA-HXUWFJFHSA-N 411.502 5.362 0 40 HKAB COc1cc([C@@H]2OC[C@H]3[C@@H](C)C=C(C)[C@H]2[C@H]3C)ccc1OCc1ccc(C(=O)O)cc1 101997496 MWCFKMDOPSZIPZ-HLSGHONXSA-N 422.521 5.508 0 40 HKAB Cc1cc(-c2csc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)n2)c(C)n1Cc1ccccc1 102368340 XGPRTGPNMMSXEG-ACRUOGEOSA-N 419.594 6.042 0 40 HKAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@H](c4ccc(Cl)cc4)C3=C(O)C2)cc1 102622063 ZZHIQAGOAHUJLR-YCRPNKLZSA-N 406.873 5.005 0 40 HKAB Cc1ccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 107028330 YXNBJKPGPYEEFD-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB CCOC(=O)c1cccc(NC(=O)CSCc2ccc(Cl)cc2Cl)c1C 222724559 ILXFFLUQNWWQNU-UHFFFAOYSA-N 412.338 5.350 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1C(C)C 223267227 QRGOQOPZLXRUNJ-CVEARBPZSA-N 405.991 6.138 0 40 HKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2C)c1 223941964 HLRMLEGTXAOEQL-UHFFFAOYSA-N 416.587 5.049 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)/C(=C/c3ccco3)c3ccccc3)ccc21 225132586 JJBQPHJIIPGQNG-XMHGGMMESA-N 404.491 5.416 0 40 HKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc(C)c1OCC(C)C 225552387 QXVZYHNSYVVUEG-UHFFFAOYSA-N 413.989 6.832 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(C(F)(F)F)cc1)CC(C)(C)O2 225682883 YIXUBQIQBNUZMO-MRXNPFEDSA-N 410.461 5.303 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(C(F)(F)F)cc1 225686973 MUOIFNCUADEHPO-MRXNPFEDSA-N 410.461 5.303 0 40 HKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225703326 QYVDIFAKPIWDKW-TYBLODHISA-N 418.622 5.357 0 40 HKAB CCN(C(=O)C(F)(F)F)c1cc(C)c2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 226282928 OAYLBDBKEZXZQR-UHFFFAOYSA-N 417.214 6.025 0 40 HKAB CCCCOc1ccc(C(=O)O)cc1-c1cc(-c2cccc(F)c2)n(CC(C)C)n1 257210011 BSTLDJDHJHYOAZ-UHFFFAOYSA-N 410.489 5.889 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCN3CCCC[C@H]3C)cc2)CCCCCC1 260816727 OSEDLCMJMAFEEX-OAQYLSRUSA-N 416.606 5.398 0 40 HKAB O=C(NCCSCc1c(F)cccc1Cl)c1cc2c(ccc3ccccc32)o1 408626493 XJAORYHKMKFMGQ-UHFFFAOYSA-N 413.901 6.042 0 40 HKAB Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1Cl 408629302 WCPXOOKTZNXDBQ-CYBMUJFWSA-N 404.963 5.212 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 408693971 GIKDYSXTDZLWHZ-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccc2sc(C(=O)N3CCCC3)cc2c1 408712943 CKIREYVPALTWLR-UHFFFAOYSA-N 414.914 5.052 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2cccnc2)cc1-c1ccc2ccccc2c1 408724904 MUJLUOIXSLDEJC-UHFFFAOYSA-N 404.473 5.648 0 40 HKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 408906864 JOVFREHIIIUJDJ-UHFFFAOYSA-N 422.550 5.346 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1Cc3ccccc3[C@@H]21 408994533 HXNKXLZIAREFGQ-QHAWAJNXSA-N 420.306 5.618 0 40 HKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 409121331 WEASUNVBLWTANY-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB COc1ccccc1OCc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1 409182263 KBNZBWZYRROHSH-UHFFFAOYSA-N 424.496 6.221 0 40 HKAB O=C1S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ccc(Cl)cc1 409194584 PHKVVYNOYNWDIG-KGENOOAVSA-N 421.905 6.160 0 40 HKAB Cc1ccc(S[C@](C)(CS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 409226705 RQJGFBSKNQMMTD-JOCHJYFZSA-N 416.995 6.130 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[C@@H](C)C2 799887 SICAPVMHPKPZOA-LLVKDONJSA-N 422.344 5.064 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccccc3)C3CCCC3)cc2c1 924175 CYJLCXXMENNZNM-UHFFFAOYSA-N 405.567 5.232 0 40 HKAB O=C(Oc1c(-c2ccccc2)oc2ccccc2c1=O)c1ccccc1Br 936002 POMYPNJJFQHFOB-UHFFFAOYSA-N 421.246 5.442 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4)cc3)sc2c1 1738583 OPMGYXZURQBIOU-UHFFFAOYSA-N 413.329 6.831 0 40 HKAB Oc1ccccc1-c1nc2c3c(-c4ccccc4)c(-c4ccccc4)oc3ncn2n1 1823070 RGNQEMLGCMJMJR-UHFFFAOYSA-N 404.429 5.577 0 40 HKAB COc1cc(OC)cc(-n2c(-c3ccccc3Cl)nc3nc4ccccc4nc32)c1 2214141 FLMDVMIWUVBYGT-UHFFFAOYSA-N 416.868 5.306 0 40 HKAB Cc1ccc(-n2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3nc4ccccc4nc32)cc1 2291232 SCQFNQGDLAELLJ-UHFFFAOYSA-N 421.504 5.333 0 40 HKAB Cc1cc(-c2ccccc2)nn1-c1c(F)c(F)c(CN2CCCCC2)c(F)c1F 2311254 FUEACBYYYZBPQM-UHFFFAOYSA-N 403.423 5.390 0 40 HKAB CCc1ccc(NC2=C[C@@H](c3cccc(OC)c3)N(c3ccc(CC)cc3)C2=O)cc1 2354079 JCQLUKOMUWPMKC-SANMLTNESA-N 412.533 5.904 0 40 HKAB O=c1oc2ccc(Br)cc2cc1-c1nc(-c2ccc(Cl)cc2)cs1 2371960 LXIVSGPWFWOMNA-UHFFFAOYSA-N 418.699 5.999 0 40 HKAB NC(=O)c1c(NC(=O)/C=C/c2c(Cl)cccc2Cl)sc2c1CCCCC2 2737539 LCLWQLQHLODLPX-MDZDMXLPSA-N 409.338 5.075 0 40 HKAB O=C(CCc1nc2ccccc2s1)O[C@H](C(=O)c1ccccc1)c1ccccc1 3228975 HIUSMIRNJNIIMN-DEOSSOPVSA-N 401.487 5.396 0 40 HKAB COc1cccc(N(C(=O)CCc2ccccc2OC)c2nc3ccccc3s2)c1 3361037 DSKDZUAMUDKIIH-UHFFFAOYSA-N 418.518 5.611 0 40 HKAB COc1ccc(-c2csc(NC(=O)CCCSc3ccccc3)n2)c(OC)c1 3422677 RLKNDZDUISNLQF-UHFFFAOYSA-N 414.552 5.338 0 40 HKAB COc1cccc(NC(=S)NCC[C@@H]2[C@H](c3c(C)[nH]c4ccccc34)C2(C)C)c1 3765642 XXNNSDUGRAXDJZ-DENIHFKCSA-N 407.583 5.601 0 40 HKAB COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4CC[C@H]32)cc1OC 4184532 SUHTYTUKAFOUQS-CLOONOSVSA-N 401.531 6.234 0 40 HKAB O=C(Nc1ccc(Br)cc1)C1[C@H]2CC[C@H]3[C@@H](CC[C@H]12)C3(Cl)Cl 4524955 IHGXONDQOAQJQW-JZAZDWQXSA-N 403.147 5.244 0 40 HKAB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)cc3n2)cc1 4676722 HNPQCCBAKKCCJX-UHFFFAOYSA-N 414.509 5.287 0 40 HKAB CCCCc1nc2cc(NC(=O)Nc3ccccc3)c(C)nc2n1Cc1ccccc1 4848517 XHWBDFIKNCFMEJ-UHFFFAOYSA-N 413.525 5.775 0 40 HKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@H]2c2cccnc2)cc1 4914286 VXIGITDVCSYTLA-JOCHJYFZSA-N 400.869 5.183 0 40 HKAB Clc1ccc2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1[C@@H](c1cccs1)O2 5194446 YQWFXWDKBISWTO-XUZZJYLKSA-N 416.933 6.797 0 40 HKAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1 5359379 YWADXNPUMQKTHZ-UHFFFAOYSA-N 415.704 5.135 0 40 HKAB S=C1NC2=C(CCC/C2=C\c2ccccc2Cl)[C@@H](c2ccccc2Cl)N1 5583234 UIQCYTITLDJBFE-CMQXMCPJSA-N 401.362 6.034 0 40 HKAB CCCCOc1ccc(C2=NN=C(c3ccc(C)cc3)Nc3ccc(OC)cc32)cc1 5894965 IEXYHFZZIMSFJF-UHFFFAOYSA-N 413.521 5.807 0 40 HKAB COc1ccc(-n2c(SCc3ccc(C)cc3)nc3ccccc3c2=O)cc1OC 6057464 AOCGEYGGEBVUJC-UHFFFAOYSA-N 418.518 5.004 0 40 HKAB CC(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 6346510 YNKWQOCWOLDINK-UHFFFAOYSA-N 406.938 6.992 0 40 HKAB Cc1cccc(C)c1NC(=O)C(=O)c1cn(Cc2ccccc2F)c2ccccc12 6659321 ANARLAJMECUEHB-UHFFFAOYSA-N 400.453 5.267 0 40 HKAB COc1ccc(Cl)cc1CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7872813 IXTQKSWYOYXMFT-UHFFFAOYSA-N 410.930 5.716 0 40 HKAB Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 8475622 IOICGPALPRVLFR-UHFFFAOYSA-N 402.281 5.048 0 40 HKAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21 8958873 YQRBWTUUNKAMNU-UHFFFAOYSA-N 410.558 5.003 0 40 HKAB COc1cc(/C=C/C(=O)N2CCC[C@H]3CCCC[C@@H]32)ccc1OCc1c(C)noc1C 9377930 DZXMYTQQCUBXMW-FQHNMJOISA-N 424.541 5.073 0 40 HKAB Cc1ccc(SCCNC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)cc1 11683204 LLZUMQMVYABKEZ-UHFFFAOYSA-N 404.535 5.019 0 40 HKAB CCc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3Br)o2)cc1 12780620 ANAXWTYKYNXZDU-GFCCVEGCSA-N 417.328 5.425 0 40 HKAB CC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1 12808534 ISDFLGCWLOBWDB-UHFFFAOYSA-N 404.495 5.196 0 40 HKAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1csc(-c2ccccc2)n1 12908966 JVLGFJFBKXQJEQ-UHFFFAOYSA-N 419.472 5.290 0 40 HKAB Clc1cccc(Cl)c1OCc1nnc(-c2ccc(Br)s2)o1 12913063 NWAIZIISLJCIBR-UHFFFAOYSA-N 406.088 5.446 0 40 HKAB Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)s2)c1 13137811 CDTDYTIROYTOCX-KCYZZUKISA-N 404.605 5.012 0 40 HKAB Cc1c(C(=O)Nc2ccnn2Cc2ccccc2)oc2cc(Br)ccc12 13687721 KTDCISIHGWXREE-UHFFFAOYSA-N 410.271 5.001 0 40 HKAB COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)cc2)c1 13689304 YJOWHEJMHHIGQR-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)cc1OC 13770217 SCUTXQRXFFYAIA-CTUHWIOQSA-N 415.961 5.226 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1ccccc1CSc1nc2ccccc2o1 14462955 DTZLCXANQZTTRO-UHFFFAOYSA-N 424.909 6.034 0 40 HKAB COc1ccc(CN(C(=O)/C=C/c2cccc(F)c2)C2CC2)cc1OCc1ccco1 15069585 NXEVAUZRRUOJKL-XYOKQWHBSA-N 421.468 5.211 0 40 HKAB O=C1C[C@H](c2ccccc2OCc2ccc(F)cc2)c2c(sc3c2CCCC3)N1 15084825 BLMQXWMABUMNLO-LJQANCHMSA-N 407.510 5.819 0 40 HKAB FC(F)Sc1nnc(COc2ccc(Cl)c3cccnc23)n1-c1ccccc1 15441344 LKNZENKRYUDFDM-UHFFFAOYSA-N 418.856 5.363 0 40 HKAB COc1ccc(-c2nc(CNC(=O)C(c3ccccc3)c3ccccc3)cs2)cc1 15832762 UFELJOITERCVLH-UHFFFAOYSA-N 414.530 5.267 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@@](=O)(NCc1ccc(Cl)cc1)c1ccccc1 15906174 IZYNVHGCIOCYJS-TWTJARBPSA-N 419.933 6.426 0 40 HKAB Cc1c(Cl)cccc1-c1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2)o1 16250043 VSXNRVDWDSRCSA-ZRDIBKRKSA-N 422.912 5.397 0 40 HKAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(OCCC(C)C)c1 20672460 GGAGPBZFUCSESE-HSZRJFAPSA-N 419.525 5.313 0 40 HKAB COc1ccc(-n2nc(Nc3cc(Cl)cc(Cl)c3)c3c2C[C@@H](C)CC3=O)cc1 20797010 WMLWJLMHOLQJOD-GFCCVEGCSA-N 416.308 5.696 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@@H](NCc1ccccc1CN1CCCC1)c1ccccc1 23968027 OETZGQLGDLCTNX-MHZLTWQESA-N 423.560 5.478 0 40 HKAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1Sc1nccc2ccccc12 30831824 CYNWAYPHSJWPQR-UHFFFAOYSA-N 414.917 6.548 0 40 HKAB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C1/C(=O)Nc2ccc(Cl)cc21 33674815 IXXZRCWMKOWSRX-CXUHLZMHSA-N 404.684 5.634 0 40 HKAB CCc1cccc(C)c1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 34860873 ZPAQIFKMQUEOBZ-UHFFFAOYSA-N 423.390 6.206 0 40 HKAB CC(C)(C)OC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1OC(F)(F)F 38262658 WVQXIGOEZXEAJD-UHFFFAOYSA-N 415.795 5.817 0 40 HKAB Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)c1Br 57986152 IMFIPACCBUZTGH-UHFFFAOYSA-N 409.280 5.482 0 40 HKAB Cc1cc(Br)ccc1NC(=S)Nc1cccc(OC(F)(F)F)c1 71760899 WNFBBWVCFQQQMZ-UHFFFAOYSA-N 405.239 5.465 0 40 HKAB CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1cc(F)cc(F)c1 72328530 WTPFMVBPSXYIJK-UHFFFAOYSA-N 403.860 5.261 0 40 HKAB Cc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2cccc(Nc3ccc(F)cn3)n2)cc1 72375846 ICAYCMGDNDNGAI-NRFANRHFSA-N 418.516 5.309 0 40 HKAB O=C(Nc1ccc(-c2nc(C3CC3)no2)cc1Cl)c1ccc(Cl)c(Cl)c1 96006660 OPLLMLNYSGKRKN-UHFFFAOYSA-N 408.672 5.827 0 40 HKAB Brc1ccc([C@H]2C[C@@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 101073405 CJUVNNNQOLCEKM-CTNGQTDRSA-N 404.311 5.945 0 40 HKAB OC1=C2C(=Nc3ncnn3[C@@H]2c2cc(F)cc(F)c2)C[C@@H](c2cccc(Cl)c2)C1 102709296 XVNWVLQLJSYQML-MPBGBICISA-N 412.827 5.275 0 40 HKAB C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 118912466 GMBQZIIUCVWOCD-ZUNWIDLUSA-N 416.646 5.794 0 40 HKAB COc1cc(C)c2c(c1)CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2 219328159 NWSJWTQKDPRHML-LXWOLXCRSA-N 416.690 8.526 0 40 HKAB O=C(CCc1cccc2ccccc12)NCCSCc1ccc(Cl)c(Cl)c1 222663983 ZBZBQBBUCJIFQZ-UHFFFAOYSA-N 418.389 6.129 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1C(C)C 223328897 XPQKACZUCOAKKX-QGZVFWFLSA-N 403.950 5.653 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1cccc(Cl)c1 224487553 WXTUPBAHAASYOD-UHFFFAOYSA-N 409.913 6.132 0 40 HKAB Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 224859392 UKDMQADRSHYFHY-IAGOWNOFSA-N 422.362 5.333 0 40 HKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 225044953 RDEADWXCHGCZCC-VXKWHMMOSA-N 422.613 5.383 0 40 HKAB Cc1cc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)ccc1Br 225576653 QMSCGANWLVLNAM-INIZCTEOSA-N 405.361 5.346 0 40 HKAB COc1cc(C)c(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C(C)C 225665006 CRMHQDMZECNYTF-UHFFFAOYSA-N 420.475 5.108 0 40 HKAB CCc1cccc(C)c1NC(=O)c1snnc1-c1ccc(Br)cc1 225783097 JMSBGAWSGSHAHP-UHFFFAOYSA-N 402.317 5.091 0 40 HKAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)NC(c1ccccc1)c1ccccc1 225809783 ZBWMIHGONGJVCW-UHFFFAOYSA-N 417.896 5.228 0 40 HKAB CCc1cc(Br)cc(CC)c1NC(=O)c1ccc(-c2ccccc2)cc1 226092614 FSRWSKYPXDQQOV-UHFFFAOYSA-N 408.339 6.493 0 40 HKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(C)C)ccc1C 408547206 WZELYSKLSOVBCM-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB COc1ccc(NCc2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1 409109682 JHJWWSDRSDAWQR-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1C 409117932 RQWJHNGJPUSWJR-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cc2cc(Cl)ccc2o1 409334241 WGNFZPQCIBUAMJ-UHFFFAOYSA-N 404.322 6.310 0 40 HKAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 585091763 JYMCEXWTXRFBMJ-PKTZIBPZSA-N 419.908 5.371 0 40 HKAB CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C(C)(C)C)C2 643917 DFVVMONGTDLWKN-CQSZACIVSA-N 418.628 5.695 0 40 HKAB Cc1cc(C)c2c(N)c(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)sc2n1 888466 JCBNTDQLABGXBD-UHFFFAOYSA-N 400.718 5.708 0 40 HKAB COc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)cc1 1255467 PDJKQWYGXBLCMK-UHFFFAOYSA-N 419.506 5.278 0 40 HKAB Cc1sc2nc(C3CC3)nc(SCC(=O)N3c4ccccc4C[C@@H]3C)c2c1C 1377429 XYUFHTNTCRZDMU-LBPRGKRZSA-N 409.580 5.255 0 40 HKAB aggregator Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1Cl 1428384 NMTMZYZRBVNQFM-UHFFFAOYSA-N 421.953 5.777 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 1751027 JAKFLPHHVUCXGY-FPYGCLRLSA-N 423.752 6.346 0 40 HKAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cccc(C(F)(F)F)c1 1774720 HDKWZAAFGYATIY-UHFFFAOYSA-N 404.388 5.573 0 40 HKAB Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)c1 1776148 CFTHJKZQZYEVBI-UHFFFAOYSA-N 424.913 5.136 0 40 HKAB CCCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CCCC2 2081602 VIEQHBFNLPVMHV-UHFFFAOYSA-N 422.344 5.209 0 40 HKAB COc1ccc(NC(=O)[C@H]2CC2(c2ccc(C)cc2)c2ccc(C)cc2)c(OC)c1 2197589 NAWZCOQLHOZGGQ-JOCHJYFZSA-N 401.506 5.265 0 40 HKAB CC1(C)Cc2nc3sc4c(SCc5ccc(F)cc5)ncnc4c3cc2CO1 2382438 FDGUAGSYEXZPTK-UHFFFAOYSA-N 411.527 5.522 0 40 HKAB CCOc1cccc(=O)c2c(C)n(-c3nc(-c4ccc(C)c(C)c4)c(C)s3)c(C)c12 2407547 RGVWAVPMZNBNMG-UHFFFAOYSA-N 418.562 6.055 0 40 HKAB Cc1ccc2oc(=O)c(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2c1 2576884 ZNKZWADDWMFBJC-UHFFFAOYSA-N 415.703 7.396 0 40 HKAB biogenic Cc1cccc(-n2cc(-c3ccccc3)c3c(NCc4cccc(Cl)c4)ncnc32)c1 2714279 ZJHSICYATOWUAW-UHFFFAOYSA-N 424.935 6.661 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(N4C[C@@H](C)C[C@H](C)C4)ncnc32)cc1 2714686 IUXVSJBKGZUBPX-OALUTQOASA-N 412.537 5.578 0 40 HKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3cc(Cl)cc(Cl)c3)s2)cc1 2887663 DSNGDJUYNRLVOQ-UHFFFAOYSA-N 406.338 5.400 0 40 HKAB CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CSC3)cc1 3008329 QMTRBNFNUYSEHU-UHFFFAOYSA-N 421.566 5.667 0 40 HKAB FC(F)(F)c1cccc(CSc2ncc(-c3cccc(C(F)(F)F)c3)cn2)c1 3134281 WGMAWNFKICSGKJ-UHFFFAOYSA-N 414.374 6.474 0 40 HKAB O=C(CN[C@@H]1CCCc2ccccc21)Nc1ccccc1Sc1ccc(Cl)cc1 3287786 GWLSXTHLFUTAKD-OAQYLSRUSA-N 422.981 6.097 0 40 HKAB Cc1ccccc1NC1(c2nnnn2-c2ccccc2C)CCC(C(C)(C)C)CC1 4043058 AMURDVSBQAIALT-UHFFFAOYSA-N 403.574 5.823 0 40 HKAB Cc1ccc(NC(=O)CSc2cn(Cc3ccccc3C)c3ccccc23)c(C)c1 4059704 MCJKXCCGLYGZJZ-UHFFFAOYSA-N 414.574 6.346 0 40 HKAB Cc1cccc(NCc2nnc(SCc3ccccc3Cl)n2-c2ccccc2)c1 4124449 ZCZYLEWUXIJRFZ-UHFFFAOYSA-N 420.969 6.134 0 40 HKAB Cc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)c2ccccc2)cc1 4125273 HUIBJDSWZISYKK-UHFFFAOYSA-N 415.518 5.130 0 40 HKAB Cc1ccc(NC(=O)N2N=C3c4ccccc4CC[C@H]3[C@@H]2c2ccc(Cl)cc2)cc1 4665068 KFMBHNXCGMDNGS-VWNXMTODSA-N 415.924 6.204 0 40 HKAB Cc1ccc(Nc2c(-c3cc(Br)ccc3O)nc3sccn23)c(C)c1 4734345 KSWLAMVHPDWYIW-UHFFFAOYSA-N 414.328 5.891 0 40 HKAB COc1ccc(-c2csc(NC(=O)CCSc3ccc(C)cc3)n2)cc1OC 5191107 BZQNZCPIVVLRSW-UHFFFAOYSA-N 414.552 5.257 0 40 HKAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c(C)n1C1CC1 5333740 BRTZATAFIKEEPR-UHFFFAOYSA-N 410.518 5.147 0 40 HKAB C=Cc1ccc(COc2cc3oc(=O)c4c(c3cc2CCCCCC)CCC4)cc1 5548377 KJHKRZRMZATCAK-UHFFFAOYSA-N 402.534 6.627 0 40 HKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1cccc(OCc2ccc(F)cc2)c1 5860457 KFVAQVGWZJZLQD-FYJGNVAPSA-N 407.828 5.403 0 40 HKAB CCOc1ccc(-n2c(SCc3ccc(C)cc3)nnc2-c2ccncc2)cc1 6106850 DVHIKSRCBBDAFV-UHFFFAOYSA-N 402.523 5.329 0 40 HKAB COc1ccc(C(C)=O)cc1COC(=O)c1ccccc1-c1nc2ccccc2s1 6840843 HUPBWISSTAATNM-UHFFFAOYSA-N 417.486 5.532 0 40 HKAB COc1ccc(C2=Nc3c(ccc4ccccc34)C(c3ccc(OC)cc3)=NN2)cc1 6973444 LYSOQGVVEMQDIY-UHFFFAOYSA-N 407.473 5.291 0 40 HKAB Cc1cccc(N2C(=O)C3=C(C2=O)[C@@H](c2cccc(F)c2)Nc2ccccc2S3)c1 7496293 TVJGZKQFVYSZIC-OAQYLSRUSA-N 416.477 5.221 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(NC3CC3)s2)c2ccccc2)c1 7577427 HWPVPSXDVIKHOM-GOSISDBHSA-N 410.568 5.201 0 40 HKAB CCc1ccc(-c2csc(NC(=O)c3sc(-c4ccccc4)nc3C)n2)cc1 7996193 VRMOHDZDFHQFCJ-UHFFFAOYSA-N 405.548 6.057 0 40 HKAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(-c3ccccc3)cc2)S1 8277587 SVOMVCCLPZIHGS-KGENOOAVSA-N 404.922 6.207 0 40 HKAB CSc1nc2sc3c(c2c2nnc(SCc4ccc(Cl)cc4)n12)CCC3 9187002 ZKBKFWVZOUXLCT-UHFFFAOYSA-N 419.000 5.495 0 40 HKAB C[C@@H](OC(=O)/C=C/c1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1Cl 9666315 NQASFGXOMJUKTP-ANYFNZRUSA-N 421.305 5.187 0 40 HKAB CCn1c(SCc2nnc(-c3ccccc3Br)o2)nc2ccccc21 9877313 IICCDELMXSYURG-UHFFFAOYSA-N 415.316 5.161 0 40 HKAB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)n1C 9957019 AMLHAUUQOIVUIU-GFCCVEGCSA-N 421.353 5.217 0 40 HKAB Cc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1 12486493 JMZCHUWAJZOSET-UHFFFAOYSA-N 401.495 5.063 0 40 HKAB O=C(c1ccc(Br)cc1)c1ccc(C(F)(F)F)n2c1nc1ccccc12 12529283 CXNNGIPUEMHECX-UHFFFAOYSA-N 419.200 5.500 0 40 HKAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 12599080 PDJJACIDALHQHU-QHCPKHFHSA-N 401.510 5.126 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN[C@@H](C)c4ccc(Cl)cc4)[nH]c(=O)c23)cc1 12767333 YNZJCBIJSPUQCQ-AWEZNQCLSA-N 423.969 5.773 0 40 HKAB Cc1cc(C)c(C(=O)CSc2nnc(-c3ccccc3Br)o2)c(C)c1 12799608 OYCARSFSHXFAFJ-UHFFFAOYSA-N 417.328 5.399 0 40 HKAB O=C(c1ccc(Cl)cc1)[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccccc3)=NN12 13616348 KSOAGQYWXOQQHX-REWPJTCUSA-N 423.299 5.746 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(F)cc3)n2)cc1Cl 14609737 ZBIAZVAKWLDTDC-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccc(C)o3)N3CCCCC3)sc2c1 15860408 MFKFTVOOYANSIL-KRWDZBQOSA-N 416.974 5.722 0 40 HKAB C[C@@H]1CCCN(c2ccc3cccc(OCc4ccc(C(F)(F)F)cc4)c3n2)C1 17245705 ARANBCPGXAPBCK-MRXNPFEDSA-N 400.444 6.069 0 40 HKAB C[C@@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1Cl 17314510 XBZKGDMQNCIWLS-GOSISDBHSA-N 402.929 5.498 0 40 HKAB Cc1ccc2scc(CC(=O)N3CCC[C@@H]3c3nnc(-c4ccsc4)o3)c2c1 19220632 LQUQCRUDYKTBSE-QGZVFWFLSA-N 409.536 5.227 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC(=O)[C@@]4(O)CCCC[C@]4(C)[C@@H]3CC[C@]12C 19802548 AYXDXVGGAIDTQI-WIVCHPGFSA-N 402.663 6.792 0 40 HKAB biogenic,in-vitro Cc1cccc(-c2nnc(SCc3nnc(-c4ccc(C(C)(C)C)cc4)o3)o2)c1 19927461 PIGYISFKKXMLJQ-UHFFFAOYSA-N 406.511 5.685 0 40 HKAB O=C(O)c1ccccc1C(=O)Nc1ccc(Oc2ccc(Cl)cc2Cl)cc1 20095181 KWBPQMPYHHFYSQ-UHFFFAOYSA-N 402.233 5.736 0 40 HKAB CCn1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(=O)c2cc(Cl)ccc21 22235071 NQTULVGCKSGDBN-UHFFFAOYSA-N 412.770 5.085 0 40 HKAB O=C(Nc1ccccc1-c1nc(-c2ccccn2)no1)c1cc(Cl)ccc1Cl 22458844 BATDQASZZQFSPU-UHFFFAOYSA-N 411.248 5.358 0 40 HKAB Cc1ccc2c(C)c(CCC(=O)Oc3ccc(Cl)c4cccnc34)c(=O)oc2c1 27450764 BDJFSRDASOOOPS-UHFFFAOYSA-N 407.853 5.150 0 40 HKAB COc1cc([C@@H](C)NC(=O)CCCC(=O)c2cccs2)ccc1OCC(C)C 32830884 NVSRHQSXKGEDRY-MRXNPFEDSA-N 403.544 5.022 0 40 HKAB O=C(/C=C/c1ccccc1OC(F)F)Nc1ccc(NC(=O)Nc2ccccc2)cc1 32904216 ZNFGKQYCCULBBQ-XNTDXEJSSA-N 423.419 5.584 0 40 HKAB O=C(O)CC[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 35529455 GQTVSSUIIKDXQC-IBGZPJMESA-N 415.489 5.001 0 40 HKAB O=C(c1cccc(Cl)c1)N1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1 38534150 UPCKOCONOIWXRD-UHFFFAOYSA-N 421.850 5.261 0 40 HKAB Cc1ccc(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 40853697 PEUQSPZHXGMZCJ-UHFFFAOYSA-N 419.369 5.612 0 40 HKAB CC(C)C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1 44904062 DEMJVPYJJYKUIS-QHCPKHFHSA-N 422.550 5.005 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)cc1C 46079066 JVMOIMMMTKUATC-UHFFFAOYSA-N 402.469 5.288 0 40 HKAB COc1ccc(NC(=O)[C@@H](C)S[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 58006620 HCYXWFZXELREBJ-ZHRRBRCNSA-N 411.954 6.198 0 40 HKAB O=C(N[C@@H]1CCCc2nc(-c3ccccc3)sc21)c1ccc(-c2cnco2)cc1 58112082 TUCSXQGJRASAMX-GOSISDBHSA-N 401.491 5.273 0 40 HKAB O=[S@@](CCSc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccccc1 84558684 LFEZDMXFRDBJBK-HHHXNRCGSA-N 414.552 5.397 0 40 HKAB O=C([C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1)N1CC=C(c2cncc3ccccc23)CC1 96012071 DALHKKQAXVEROW-FGZHOGPDSA-N 422.450 5.673 0 40 HKAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCCc1c[nH]c2ccccc12 96221449 ZHZCZVRNQRWNSZ-QHCPKHFHSA-N 401.510 5.174 0 40 HKAB biogenic CCC[C@H]1[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)CCC 102696872 FFNLFWCXKWZQKH-RADFVVHLSA-N 420.424 6.963 0 40 HKAB CCCCN1C(=O)N(c2ccc(OCC)cc2)[C@@H]2N(CCCC)[C@@H]1C(C)(C)C2(C)C 102978542 LMMIGDVIKSSQIE-VXKWHMMOSA-N 415.622 5.948 0 40 HKAB CC(C)CC(CC(C)C)C(=O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)C(CC(C)C)CC(C)C 104156914 VKJGXDCZAZVSBQ-ZJZGAYNASA-N 406.651 6.335 0 40 HKAB OC1=C2Nc3ccccc3N=C2O[C@H]1c1c[nH]c2ccc(COc3ccccc3)cc12 104240458 ZXHOCCGMGRZRJK-DEOSSOPVSA-N 409.445 5.744 0 40 HKAB O=C(NCc1cncc(-c2ccsc2)c1)c1ccc2noc(-c3ccccc3)c2c1 206947016 ZLXMRPAWMXCANK-UHFFFAOYSA-N 411.486 5.548 0 40 HKAB COc1ccc(C)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 223084377 VBFHUSHKNPHMEI-UHFFFAOYSA-N 414.505 5.157 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 224188842 RYNQLVWESJRWCK-JWQCQUIFSA-N 409.570 5.635 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccc(C)c(C)c1 224289890 WUVXPRXPJOLUNE-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1c1ccc(Br)cc1 224483751 BYNRODNPBYUQBM-SJORKVTESA-N 416.369 5.083 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1CN1CCCC1 224800595 MUBDUHLXHYALMX-DEOSSOPVSA-N 408.586 5.054 0 40 HKAB C[C@H](CCc1ccccc1)NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224928739 ARKAPTBXAVVGCU-GOSISDBHSA-N 414.480 5.899 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)c(I)c1 225020559 VDZYFRCXTYLGKR-UHFFFAOYSA-N 406.050 5.159 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccsc2)cc1 248382291 WKXCHRKDEFDEGC-UNMCSNQZSA-N 410.926 6.043 0 40 HKAB CC(C)C[C@H]1C[C@@](C)(NC(=O)Cc2ccc(F)cc2)C[C@@H](c2ccc(Cl)cc2)O1 257208625 BMWYVFVQWFOEGU-WPFOTENUSA-N 417.952 5.863 0 40 HKAB CCOc1cc(C=O)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 408538991 DCHBXCFILINGRJ-UHFFFAOYSA-N 406.478 5.455 0 40 HKAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccccc1Br 408562476 PWZPNSYDZRRREH-QOCHGBHMSA-N 419.319 5.188 0 40 HKAB O=C(Nc1c(Cl)cccc1Cl)/C(=C/c1ccccc1Cl)c1ccccc1 408581378 SQPQFYFCFBRDJU-DTQAZKPQSA-N 402.708 6.826 0 40 HKAB CSc1nc(N2CCCCC2)c2cc(C(=O)NCCC3=CCCCC3)sc2n1 408618896 HXSBCUWXOSQDAR-UHFFFAOYSA-N 416.616 5.024 0 40 HKAB CC(=O)c1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 408623930 VJZYFZHHNIPQLJ-UHFFFAOYSA-N 400.689 5.484 0 40 HKAB CC(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 408734289 WJRLGZWMPIOBOG-JOCHJYFZSA-N 411.332 6.888 0 40 HKAB O=C1NC(=O)/C(=C\c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)S1 408812569 NKDRRBNSZVWGGO-HAVVHWLPSA-N 422.509 6.135 0 40 HKAB CCOc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 409107072 UNOLYMOOBFSJCC-UHFFFAOYSA-N 421.953 6.279 0 40 HKAB COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1cccc(C)c1C 409374911 BLPQLDHDMSORLZ-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB O=C(Nc1cccc(Br)c1)c1sc2cc(Cl)ccc2c1Cl 648812 HJBOAWILAFYXBV-UHFFFAOYSA-N 401.112 6.223 0 40 HKAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 671319 MRZJJEOCGXCZHM-GFCCVEGCSA-N 407.322 5.831 0 40 HKAB O=C(Nc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1)c1ccccc1 1085700 QMPHURHKCNBQAI-UHFFFAOYSA-N 417.468 5.713 0 40 HKAB COC(=O)c1c(C)n(CCOc2c(C)cc(C)cc2C)c2c1cc(O)c1ccccc12 1440034 MPRUPBGGYWLAFT-UHFFFAOYSA-N 417.505 5.599 0 40 HKAB Cc1cc(SCC(=O)Nc2cccc(Cl)c2)n2ncc(-c3ccccc3)c2n1 2209038 QQMMNMKPUBQYLG-UHFFFAOYSA-N 408.914 5.089 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCCc4ccccc43)cc12 2245137 NZQFDYGYJJNRRS-UHFFFAOYSA-N 407.926 5.642 0 40 HKAB c1ccc(CCn2c(-c3ccccc3)nnc2-c2ccc(-c3ccccc3)cc2)cc1 2271227 PSKIPGOGSFHSEQ-UHFFFAOYSA-N 401.513 6.522 0 40 HKAB COc1cc2c(cc1NC(=O)c1ccc(COc3ccccc3)cc1)oc1ccccc12 2634569 OXGVDYDRDSTOMN-UHFFFAOYSA-N 423.468 6.426 0 40 HKAB CCCOC(=O)c1c(NC(=O)/C=C/c2c(F)cccc2Cl)sc2c1CCCC2 2729630 QAJTVFBAJYIDNA-ZHACJKMWSA-N 421.921 5.638 0 40 HKAB COc1cc(Nc2nc(SCc3ccccc3F)nc3ccccc23)cc(OC)c1 2949061 JRONILLZYAJBMA-UHFFFAOYSA-N 421.497 5.822 0 40 HKAB Clc1ccc(-c2cc3ccccc3nc2Oc2c(Cl)cccc2Cl)cc1 3050879 LBKWRDSGXPZAMH-UHFFFAOYSA-N 400.692 7.654 0 40 HKAB CC(=O)Nc1cc2[nH]c(-c3ccccc3)c(OC(C)=O)c2cc1/C=C/c1ccccc1 3844605 LUCZPPKJZDNZPQ-BUHFOSPRSA-N 410.473 5.889 0 40 HKAB FC(F)(F)c1ccc(COc2ccc(-c3nccc(-c4cccs4)n3)cc2)cc1 4060629 COHUUYNDQLALFX-UHFFFAOYSA-N 412.436 6.470 0 40 HKAB COc1ccc(CN(CC[C@@]2(CCC(C)C)CCO[C@@H](C(C)C)C2)C(C)=O)cc1 4073175 MUPWDPMVVFJZEV-RPBOFIJWSA-N 403.607 5.691 0 40 HKAB biogenic Cc1cc(C)cc(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)c1 4200743 FPWORWPRFRQSQQ-UHFFFAOYSA-N 409.536 5.084 0 40 HKAB CCCC[C@@H](CC)CNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 4742872 VMRWVBSYVSRYBQ-CJAUYULYSA-N 417.553 5.046 0 40 HKAB O=C(CSc1nc2ccccc2o1)OCC(=O)c1ccc(-c2ccccc2)cc1 4743581 VQWSMQVRXXDHQK-UHFFFAOYSA-N 403.459 5.013 0 40 HKAB COc1ccccc1Oc1cn[nH]c1-c1ccc(OCc2ccccc2F)cc1O 5219251 BWQLMGUXESEMNZ-UHFFFAOYSA-N 406.413 5.301 0 40 HKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccc2)cc1 5735738 VOBFGSHRWMZXND-UHFFFAOYSA-N 414.534 5.282 0 40 HKAB CCC(C)(C)c1ccc(Oc2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 6316672 VCYFWAUHBRBFBO-UHFFFAOYSA-N 401.553 6.029 0 40 HKAB CCCCOc1ccc(C2=NNC(c3ccc(OC)cc3)=Nc3ccc(C)cc32)cc1 6480944 NOWLYXIKRKGEMW-UHFFFAOYSA-N 413.521 5.616 0 40 HKAB O=C(COc1ccccc1-c1ccccc1)N(Cc1ccco1)Cc1cccs1 6542742 OBIPZEAWJUAUQU-UHFFFAOYSA-N 403.503 5.616 0 40 HKAB CCOc1ccccc1Oc1coc2cc(OCc3cc(C)ccc3C)ccc2c1=O 6554636 BUZYAOXTAUUUOI-UHFFFAOYSA-N 416.473 6.180 0 40 HKAB biogenic O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc(C2CC2)nc2ccccc12 8038852 NWYGVLUBYWCZLV-UHFFFAOYSA-N 423.520 5.349 0 40 HKAB C[C@H](NC(=O)CCc1nc(-c2ccsc2)no1)c1ccc(-c2ccccc2)cc1 8316424 SNFZMSLYGBDXSI-INIZCTEOSA-N 403.507 5.275 0 40 HKAB O=C1N[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)Nc2ccccc21 8429692 ZOLLXAKXGLVVTD-JOCHJYFZSA-N 400.869 5.047 0 40 HKAB CCc1ccc2oc(-c3c(Br)cc(C)c(N)c3Br)nc2c1 8702111 JEZUXHTZZUGVAR-UHFFFAOYSA-N 410.109 5.473 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 8903037 GNHCRHIQWSDXHS-UHFFFAOYSA-N 414.505 6.253 0 40 HKAB CCc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(Cl)cc4)c3c2c1 9676082 SJWJYNRAGVYKBU-UHFFFAOYSA-N 418.327 7.110 0 40 HKAB Cc1cccc(Nc2nnc(SCC(=O)N(C)[C@H](C)c3ccc(F)cc3)s2)c1 9804335 XSAXAMXFQRCRRL-CQSZACIVSA-N 416.547 5.041 0 40 HKAB CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1)c1cccs1 11150575 DIHYXXOSSUIEKO-OAHLLOKOSA-N 419.959 5.039 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 12936907 GSMZUAWSRWYPJM-RUZDIDTESA-N 404.579 5.766 0 40 HKAB CCc1ccc(N(C(C)=O)c2nc(CN3CCC[C@@H]3c3cccn3C)cs2)cc1 12943049 ABEHGBWNABLXFP-JOCHJYFZSA-N 408.571 5.066 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)c3ccccc3n2)c(C)c1 13372397 SBAMTYGTZXSHIL-UHFFFAOYSA-N 421.327 7.078 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c1 16269320 PQULBKMGXFWQCY-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1c(F)cccc1Cl 16322336 ATKPOCSYHRTEJR-LBPRGKRZSA-N 418.386 5.663 0 40 HKAB CC(=O)Nc1s/c(=N\c2ccccc2)n(Cc2ccc(C)cc2)c1-c1cccs1 16806634 INIDYFVJNBDNTR-BZZOAKBMSA-N 419.575 5.826 0 40 HKAB Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2nc(-c3ccc(F)cc3)cn12 16992457 QDSSHAUUQUGITG-UHFFFAOYSA-N 403.841 5.555 0 40 HKAB Nc1nc(SCc2ccccc2)nc2sc3c(c12)CCN(Cc1ccccc1)C3 20813221 FPVOUZPPQMUNLM-UHFFFAOYSA-N 418.591 5.124 0 40 HKAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1cc(C)ccc1C 21787447 GYVMDKPRLNDOEP-HSZRJFAPSA-N 405.542 5.196 0 40 HKAB COc1ccc(-c2nn3c(Nc4cccc(Cl)c4)cc(C)nc3c2C)cc1OC 23118865 YJMCQGIMSAXJFL-UHFFFAOYSA-N 408.889 5.427 0 40 HKAB Cc1nc(C2CC2)nc2sc(C(=O)NCCc3ccc(C(F)(F)F)cc3)c(C)c12 25593696 CAVGHHBLWJIFBJ-UHFFFAOYSA-N 419.472 5.177 0 40 HKAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)n1 27970776 CJQMONCLSHOKDW-UHFFFAOYSA-N 407.823 5.473 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccccc2Cl)c2ccccn2)ccc1Cl 28291109 XEONKDTYBWESTM-INIZCTEOSA-N 415.320 5.698 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 30751052 SBGOETWGPMJQHK-UHFFFAOYSA-N 417.505 5.485 0 40 HKAB O=C(c1ccco1)[C@H]([C@H](c1ccc(Cl)cc1)N1CCCCC1)N1CCCCC1 32559909 ABBUBZLTHBIYDK-VXKWHMMOSA-N 400.950 5.197 0 40 HKAB CCOc1cccc(C(=O)Nc2ccccc2-c2nc(-c3ccc(OC)cc3)no2)c1 32622491 KDFVPSMSUKXOSE-UHFFFAOYSA-N 415.449 5.063 0 40 HKAB O=C(NCCCc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc32)cc1 38754207 DGTSRUFPHSZZKL-UHFFFAOYSA-N 404.941 5.265 0 40 HKAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1 40110723 BLIKGPQMNLNHOR-UHFFFAOYSA-N 407.489 5.397 0 40 HKAB C[C@@H](SC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)Nc1ccccc1F 48373966 CIXAUWKHQJFZAT-CQSZACIVSA-N 401.453 5.954 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(Cl)cc1Cl 57312931 IFUIQQDWTYTMBO-DHZHZOJOSA-N 417.317 5.780 0 40 HKAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@H](c3ccc(C(C)C)cc3)N1CC2 57731872 NWQZVYPITFSCOZ-SVBPBHIXSA-N 414.549 5.899 0 40 HKAB O=C(c1ccsc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc2nccnc2c1 58047294 VSZYSJFBSKFHFZ-NRFANRHFSA-N 418.909 5.336 0 40 HKAB Clc1cccc(-c2nnn3c2nc(N2CCc4ccccc4C2)c2ccccc23)c1 67262682 DDLBNHDOFQEJLB-UHFFFAOYSA-N 411.896 5.161 0 40 HKAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 72214548 APBKRMQOYMSBRA-JOCHJYFZSA-N 409.574 5.816 0 40 HKAB CC(=O)N1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215717 AOXYQZMNBXGDEV-FQEVSTJZSA-N 401.551 5.229 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2Sc2ccccc2)cc1 72217699 UEXYZUQEWIPZPL-JOCHJYFZSA-N 424.591 5.457 0 40 HKAB Fc1ccc(OCCc2cc([C@H]3CCCN3Cc3ccc4[nH]ccc4c3)n[nH]2)cc1F 72378359 QVKIPLSSFSVRPB-XMMPIXPASA-N 422.479 5.128 0 40 HKAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ncccc2C)C12CCCCC2 72401625 QGKYOVWVBVELJU-WIYYLYMNSA-N 405.542 5.070 0 40 HKAB CCc1c(Br)c(N)c(Br)c2nc(-c3cccc(F)c3)oc12 73642730 LDDZLRHCWGJOOT-UHFFFAOYSA-N 414.072 5.304 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 219353815 HUFAHRDNBTYLQU-QFIPXVFZSA-N 415.493 5.014 0 40 HKAB O=C(NCc1ccc2ccccc2c1)C1CCN(Cc2ccc(Cl)cc2F)CC1 222823354 MEHHYNUCRDCNOO-UHFFFAOYSA-N 410.920 5.161 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1C 224260926 VXMIUKKEDLLVMP-RPWUZVMVSA-N 416.594 5.629 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1cccc(Cl)c1 224487487 JUZOOCXURVFHBQ-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1COCc1ccccc1 224749226 FVFJLNDMNILPDR-UHFFFAOYSA-N 421.493 5.072 0 40 HKAB S=C(Nc1nccc(-c2cccs2)n1)NC(c1ccccc1)c1ccccc1 225186189 FMTAHYODEYOWIK-UHFFFAOYSA-N 402.548 5.281 0 40 HKAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225448081 IJPLDRMPIAKWOY-RUZDIDTESA-N 422.613 5.119 0 40 HKAB CCN(CC)CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1 225540081 UOAMCERZAFPEMW-UHFFFAOYSA-N 422.613 5.946 0 40 HKAB COc1ccc(NC(=S)NCCCSCc2ccccc2Cl)cc1Cl 225606582 RPFZKCQVMKPVDN-UHFFFAOYSA-N 415.411 5.612 0 40 HKAB O=C(Cc1cccc(Br)c1)Nc1ccc(Br)c(Cl)c1 225615998 JPMSOQOXRHUGFG-UHFFFAOYSA-N 403.501 5.046 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(C(F)(F)F)cc1 225686949 MUOIFNCUADEHPO-INIZCTEOSA-N 410.461 5.303 0 40 HKAB COc1ccc(-c2cccc(CC3(C(=O)NCc4cccs4)CCOCC3)c2)cc1 257283689 OZJRFFOPNDSACU-UHFFFAOYSA-N 421.562 5.079 0 40 HKAB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccc(OC)cc1 408560553 DFOSAVAGYXPCCC-ATJXCDBQSA-N 421.349 5.601 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1cccc(F)c1 408603259 BSZLSKRZUPJGNI-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408637522 ACVJJRFIGRCUIH-SECBINFHSA-N 418.107 5.292 0 40 HKAB Cc1cc(O[C@H](C)C(=O)NCCSCc2cccc(Cl)c2)cc(C)c1Cl 408706221 XTEMMEVMEUHCJQ-OAHLLOKOSA-N 412.382 5.427 0 40 HKAB Cc1sc(Nc2ccc(Br)cc2)nc1-c1ccc(Cl)c(Cl)c1 409050745 ZFVKZWSEMLEOKQ-UHFFFAOYSA-N 414.155 6.931 0 40 HKAB COc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccccc3)n2C)cc1 409206704 VXWLSJOFBNMPFE-IZHYLOQSSA-N 400.503 5.170 0 40 HKAB C[C@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1c(F)cncc1F 561470996 WRNLCZFCNBHTMC-LBPRGKRZSA-N 406.354 5.537 0 40 HKAB C[C@]12CC[C@H](OC(=O)/C=C\c3ccccc3)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 1889180423 BHWKXKHBCVBVDP-SOXPPPHXSA-N 418.577 6.144 0 40 HKAB CC(C)(C)c1cc(NC(=O)CCSc2nnc3ccccn23)cc(C(C)(C)C)c1 630210 BGFQJPWJHZUAKS-UHFFFAOYSA-N 410.587 5.445 0 40 HKAB FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c(N4CCCC4)ncnc32)c1 756787 OWAYZMLJTJNUPY-UHFFFAOYSA-N 408.427 5.707 0 40 HKAB O=C(CSc1nnc(-c2ccco2)o1)N1c2ccccc2Sc2ccccc21 912273 KCHOSNOHERPQNZ-UHFFFAOYSA-N 407.476 5.251 0 40 HKAB Cc1ccc(C(=O)N(CC(=O)NC2CCCCC2)c2cccc(C(F)(F)F)c2)s1 1342235 QSBKRSMYZIDPNZ-UHFFFAOYSA-N 424.488 5.171 0 40 HKAB COc1ccc(C(=O)NCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1 1390527 RXZPKYQIMFEAKK-UHFFFAOYSA-N 406.429 5.076 0 40 HKAB COc1ccc([C@H](C)NCC[C@H](c2ccccc2)c2ccc(OC(C)C)cc2)cc1 1826506 BQZCDFZRTSMLBA-KDYSTLNUSA-N 403.566 6.355 0 40 HKAB biogenic Nc1c(C(=O)c2ccc(F)cc2)sc2nc3c(c(-c4cccs4)c12)CCCC3 2118079 BCOIYILSRRTWOT-UHFFFAOYSA-N 408.523 5.856 0 40 HKAB O=c1c2c3c(sc2nc(SCCc2ccccc2)n1-c1ccccc1)CCCC3 2179086 BTNGIGYYPXHPNX-UHFFFAOYSA-N 418.587 5.661 0 40 HKAB Cc1ccc(C2=N/C(=C/c3ccccc3OC(=O)c3ccc(Cl)cc3)C(=O)O2)cc1 2188221 MWKJCYNLOKYNMF-XSFVSMFZSA-N 417.848 5.212 0 40 HKAB COc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)cc1 2225588 SNWUYOYUVLICGL-UHFFFAOYSA-N 407.926 5.889 0 40 HKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1cccc2ccccc12 2292732 YKGWAMNQQPCDRM-UHFFFAOYSA-N 417.295 6.513 0 40 HKAB Cc1ccc(Nc2nc(-c3ccccc3Cl)c3cc(Br)ccc3n2)cc1 2348715 VKHGMKDKFXEQSJ-UHFFFAOYSA-N 424.729 6.765 0 40 HKAB CCCCc1ccc(-n2c(N)c(C(=O)N[C@@H](C)CC)c3nc4ccccc4nc32)cc1 2394467 QQHBCQQXGROCNI-INIZCTEOSA-N 415.541 5.027 0 40 HKAB Cc1cc(C)c(C(=O)Nc2cc(C(F)(F)F)ccc2OCC(F)(F)F)c(C)c1 2649171 XHEDEXUOKDTQLH-UHFFFAOYSA-N 405.338 5.824 0 40 HKAB O=C(OCc1cccc(Br)c1)c1cc(-c2ccccc2)nc2ccccc12 2746387 ULWMOZZBQGDDAL-UHFFFAOYSA-N 418.290 6.021 0 40 HKAB COc1ccc(C2=C[C@H](c3ccccc3OC(F)F)n3c(nc4ccccc43)N2)cc1 2918021 LUPSLACDVOYLCI-OAQYLSRUSA-N 419.431 5.702 0 40 HKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(Cl)cc3)oc12 2951378 XMFABYHGHOJMKN-NMWGTECJSA-N 411.870 5.036 0 40 HKAB Cc1cccc(-n2nc3c(c2NC(=O)c2cccc(C(F)(F)F)c2)CSC3)c1C 3008327 LCJYQJRUVRIVQW-UHFFFAOYSA-N 417.456 5.507 0 40 HKAB Cc1ccccc1C(=O)NC(Nc1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F 3103655 VZYHFCLFJMMKHP-UHFFFAOYSA-N 410.745 5.311 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F 3349757 KAUHDXXSQZQVFZ-UHFFFAOYSA-N 416.321 5.309 0 40 HKAB O=C1OC(c2cccc3ccccc23)=N/C1=C/c1cccc(OCc2ccccc2)c1 3663211 MEMVVNOAVPCWLM-KOEQRZSOSA-N 405.453 5.763 0 40 HKAB Cc1ccc(-c2nc(N3CCN(c4ccccc4Cl)CC3)nc3ccccc23)cc1 4058877 CEEJPQRSYMGZPF-UHFFFAOYSA-N 414.940 5.585 0 40 HKAB O=C(CSc1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 4496719 KVWQYLLQOGWWBV-UHFFFAOYSA-N 410.495 5.539 0 40 HKAB CCCCC1(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1C 4652827 JIMPELPXBXADEI-QDGJQWLKSA-N 406.397 6.573 0 40 HKAB Cc1ccccc1-c1nc(SCc2ccccn2)c2c3c(sc2n1)CCCC3 4859064 YQHHWJIKDCFYAC-UHFFFAOYSA-N 403.576 6.233 0 40 HKAB CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1c(Cl)cccc1Cl 5033048 PRUWMCDBKSNGLJ-SIBVEZHUSA-N 416.285 5.471 0 40 HKAB CC(=O)Oc1ccccc1C1=NN(C(=O)/C=C/c2ccccc2)[C@H](c2ccccc2)C1 5176750 NBHUZZWIEJRLIX-JOPBRCQMSA-N 410.473 5.003 0 40 HKAB CCOc1cc(C=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 5651990 KGDNZQBRUVVPAA-UHFFFAOYSA-N 404.087 5.546 0 40 HKAB O=C(COc1ccccc1-c1ccccc1)Nc1ccc(Br)cc1F 5678830 KDOGATIHWYRITA-UHFFFAOYSA-N 400.247 5.273 0 40 HKAB CCn1c(SCc2ccc(C)cc2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C 6359452 UFTJEYDOWBEJJY-OAQYLSRUSA-N 422.598 5.334 0 40 HKAB CCOc1ccc(Oc2ccc(NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 6538978 FLHKXTSHIZBVHQ-UHFFFAOYSA-N 423.465 5.156 0 40 HKAB CCOc1cc(CNc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 6630748 NBUHVZUHXUFNDA-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB CSc1ncccc1C(=O)N(CCc1ccccc1)c1nc2ccccc2s1 7814949 PUCQCMVYUWJDQQ-UHFFFAOYSA-N 405.548 5.303 0 40 HKAB Cc1ccc(C(=O)CCC(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1C 7948406 KFBWPOWLWQJPHQ-QHCPKHFHSA-N 409.576 5.564 0 40 HKAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)N[C@H](c1ccccc1)c1cccs1 8216106 DKWUBUJGTLVQTQ-LJQANCHMSA-N 413.955 5.276 0 40 HKAB Cc1ccc(C)c(-n2c(-c3ccccc3)nn(CC(=O)Nc3ccccc3)c2=S)c1 8411214 GSGMVANJTPFKIG-UHFFFAOYSA-N 414.534 5.326 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(Nc2ccccc2F)s1 8428539 LRTGRORSSLNDOQ-UHFFFAOYSA-N 408.911 5.113 0 40 HKAB COc1ccc(C2=Nc3c(-c4ccccc4)c(C)nn3[C@@H](c3ccco3)C2)cc1OC 8570223 GWNWTRCKRYNTBQ-HXUWFJFHSA-N 413.477 5.583 0 40 HKAB COc1cc(SC)ccc1C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 9466920 YZJXHTZGHWAVAN-NRFANRHFSA-N 417.534 5.007 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)/C=C/c1ccc(F)cc1)CC2 9513068 GLMCQGXYZBJUDR-REXAPNPKSA-N 423.509 5.092 0 40 HKAB O=C(NCc1cn2cc(Cl)ccc2n1)c1sc2cc(Cl)ccc2c1Cl 9662848 AFOOIXQNLACQAE-UHFFFAOYSA-N 410.713 5.439 0 40 HKAB CN(Cc1nc2ccccc2n1CCCOc1ccccc1Cl)C(=O)c1ccco1 11667145 AYNQZDOVOFFLIA-UHFFFAOYSA-N 423.900 5.024 0 40 HKAB C[C@@H]1C[C@@H](OC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)C(=O)O1 12595780 HDLDVWWHTXLDSY-CRICUBBOSA-N 423.468 5.430 0 40 HKAB C[C@H]1CCc2c(sc3ncn(CC(=O)c4ccc(C5CCCCC5)cc4)c(=O)c23)C1 12616737 SCVDEDHEIYDNQY-INIZCTEOSA-N 420.578 5.513 0 40 HKAB c1ccc(SCc2nc(NCc3ccccn3)c3c4c(sc3n2)CCC4)cc1 12644862 NCWTTWIWULUAJO-UHFFFAOYSA-N 404.564 5.479 0 40 HKAB CC(=O)N(c1ccccc1)c1nc(COc2ccc(F)c3c2C(=O)C[C@H]3C)cs1 12770309 RPBKLAAWBBVOGV-CYBMUJFWSA-N 410.470 5.236 0 40 HKAB O=C(Nc1ccc(OC(F)F)cc1)c1ccccc1-c1ccc(Cn2cccn2)cc1 12784820 DPWKZJVEGDDDAN-UHFFFAOYSA-N 419.431 5.452 0 40 HKAB Cc1nc(COc2cccc(C(=O)Nc3ccc(Br)cc3)c2)cs1 12936112 FCONSSVISQIPSO-UHFFFAOYSA-N 403.301 5.045 0 40 HKAB CC1CCN(Cn2nc(-c3ccccc3Cl)n(-c3ccccc3F)c2=S)CC1 13071527 LRYDJRZCQPFIAY-UHFFFAOYSA-N 416.953 5.552 0 40 HKAB C[C@@H](N[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc2c(c1)OCCO2 14125506 UZGSCCYDBCQYLH-NSYGIPOTSA-N 412.489 5.214 0 40 HKAB CCCOc1ccc(Br)cc1C(=O)Nc1cc(Cl)ccc1Cl 14651918 SQBSEPZQAAKGSS-UHFFFAOYSA-N 403.103 5.797 0 40 HKAB CCCSc1ncc(Cl)c(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 16751411 LILZZQQTJVMYNJ-UHFFFAOYSA-N 410.248 5.557 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 18210290 MVUUOFFQPAWTMQ-GDBMZVCRSA-N 424.810 5.351 0 40 HKAB Cc1ccc(Cc2ccc([C@H]3CCCN3C(=O)c3cccc4ncccc34)nc2)cc1 19687924 VMGAVINSARIBHA-AREMUKBSSA-N 407.517 5.506 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)cc1F 20110299 ZSOLOIWRHBQNSX-LJQANCHMSA-N 402.263 5.538 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1Cl 20410982 ZOOAZACCJDUUMZ-UHFFFAOYSA-N 411.870 5.356 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 20412208 GTZMMWWZVWTKBE-UHFFFAOYSA-N 415.917 5.626 0 40 HKAB Cc1cccc(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1C 20610667 WSXAWLGXHZOTIV-UHFFFAOYSA-N 414.509 5.178 0 40 HKAB CC(=O)Nc1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)sc2c1 21595794 ZYTVMUQUXISAQY-FMIVXFBMSA-N 403.463 5.167 0 40 HKAB Cc1cc(OCC(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc(C)c1Cl 27795474 OPKAHQMPGRKHNS-UHFFFAOYSA-N 404.293 5.815 0 40 HKAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCSc3ccc(Cl)cc3)cc2)C1 30757133 MMAIHESNGNEKJT-KRWDZBQOSA-N 402.991 5.094 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)Nc1nn(Cc2ccc(F)cc2)cc1Cl 32610025 XYYOWIJWJYZQDX-UHFFFAOYSA-N 412.774 5.387 0 40 HKAB OC1=NC(=S)S/C1=C\c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 33595716 ROHIPGIFRVDPOP-IUXPMGMMSA-N 419.358 6.326 0 40 HKAB COc1ccc(Cl)cc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 36446830 STASXNQJSJHXIV-HXUWFJFHSA-N 418.971 5.058 0 40 HKAB CC1=C(CC[C@@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 39033456 KIDQUNOGEXTBNB-WIMXQSBWSA-N 414.630 5.618 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1cccc(Cl)c1 44849656 KAYPXDJHVAAROM-QFIPXVFZSA-N 413.970 5.700 0 40 HKAB CC(=O)Nc1cccc(-n2c(S[C@H]3CCCc4ccccc43)nnc2C2CC2)c1 48345201 MBSJONGFPYGFTM-NRFANRHFSA-N 404.539 5.273 0 40 HKAB O=C(Nc1nnc(-c2ccco2)o1)c1cc(-c2ccccc2Cl)nc2ccccc12 57789039 JCLNPJNBYFZPST-UHFFFAOYSA-N 416.824 5.451 0 40 HKAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1 59332087 UPBFDZFQUAHPIL-UHFFFAOYSA-N 413.304 5.484 0 40 HKAB Cc1cccc(Nc2ccc(C3CCN(Cc4c(C)nn(C(C)C)c4C)CC3)nc2)n1 72374326 HQYWZGCVCALWRV-UHFFFAOYSA-N 418.589 5.302 0 40 HKAB Fc1ccccc1[C@H]1C=C(c2ccc(Br)cc2)Nc2nc3ccccc3n21 101070071 WLDNLBFNZUPFAG-OAQYLSRUSA-N 420.285 5.994 0 40 HKAB Cc1nc2ccc(Oc3ccccc3)cc2c(O)c1CN1C[C@]2(C)C[C@@H]1CC(C)(C)C2 101087288 VKLFKVJTCPKFKA-UZTOHYMASA-N 416.565 6.442 0 40 HKAB O=C1C[C@@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1cccc(Cl)c1Cl 101277081 XDDZUAUBLCQSEK-LLVKDONJSA-N 404.080 5.044 0 40 HKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1[C@@H](C)CCC[C@H]1C 222420235 ULNUUSRBFWWGNO-ZNMIVQPWSA-N 423.504 5.433 0 40 HKAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222759822 ILTXVGZIDVCUBE-QZTJIDSGSA-N 404.322 5.251 0 40 HKAB C[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc2c(c1)CCCC2 222943906 SJGKCSXSWWSERD-LJQANCHMSA-N 401.575 6.349 0 40 HKAB Fc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223107984 PVAKJDFGSSPBFD-GOTSBHOMSA-N 420.557 5.317 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1CSc1ccccc1 224327276 QVGNPPLBEBYGJE-UHFFFAOYSA-N 413.926 5.902 0 40 HKAB CCc1nc2ccc(NC(=S)N[C@H](CC(=O)O)c3cccc(Cl)c3)cc2s1 225229917 RPYPOZDPOMIYQD-OAHLLOKOSA-N 419.959 5.015 0 40 HKAB Fc1ccc(COc2ccc(CNC(=S)Nc3ccc(F)c(Cl)c3)cc2)cc1 225534163 HCQPDUHNZZHHHP-UHFFFAOYSA-N 418.896 5.684 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCc4ccccc4)cc3)CCOCC2)cc1 225568708 JQRHDAXLROJOQH-UHFFFAOYSA-N 401.506 5.261 0 40 HKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225716293 WCSVYJUNXLYSPK-XMMPIXPASA-N 408.586 5.075 0 40 HKAB Cc1cccc(C2(NC(=S)Nc3ccc(Br)cc3F)CCCC2)c1 225860957 ASWWPLRVIIDRFH-UHFFFAOYSA-N 407.352 5.653 0 40 HKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1cnc(OCCOCC)c(C)c1 225906804 XZEANRWZOMMOTH-UHFFFAOYSA-N 408.583 5.001 0 40 HKAB CC(C)(C)c1nn(-c2ccccc2)c2nc(Cl)c(CNCc3ccccc3)cc12 257285307 PGNVFEONVBCOTC-UHFFFAOYSA-N 404.945 5.661 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1)[C@@H]2O 257345226 FDGCFEWJEHAVJT-AYSPJNHFSA-N 413.001 6.018 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1)[C@H]2O 257345227 FDGCFEWJEHAVJT-RDFYZOSUSA-N 413.001 6.018 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)N[C@@H]3C[C@H]4CC[C@H]3C4)c2)cc1 260658784 JWIJSPRKRMSMHN-SGXKBVARSA-N 406.595 5.690 0 40 HKAB Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1Cl 260781303 SPTAOYFTQPVLJQ-IPHXSNPTSA-N 408.958 5.423 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCCN3CCC[C@H](C)C3)cc2)CCCCCC1 260816807 QMSZOYJHAHQGAX-NRFANRHFSA-N 416.606 5.255 0 40 HKAB COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1cc(Cl)ccc1C 408556994 MGSKPYSTROXICN-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB S=C(NCc1ccccc1Cl)c1ccccc1OCc1ccccc1Cl 408578409 YDGVQLBDNMMCJA-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408638083 BULLPSMCPBTIIT-SNVBAGLBSA-N 417.214 5.004 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(Cl)cc3)n2)c1 408696795 BYDJQKCYIQIXDI-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc4ccccc34)nn2-c2ccc(F)cc2)cc1 408698432 NUQMWAJNYGMJHT-UHFFFAOYSA-N 422.463 5.787 0 40 HKAB Cc1cccc(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c1C 408739300 ZKDMRYWWXVADCY-RUZDIDTESA-N 414.549 5.215 0 40 HKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2)c1 409206651 ZKGJWULKVHYAAS-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB Cc1nc(CN2CCC3(CC2)CO[C@H](c2ccccc2Cl)[C@@H](C(C)C)C3)cs1 1615160209 ZHAIDRUZPXGYHV-IFMALSPDSA-N 419.034 6.121 0 40 HKAB Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1C 919555 WSDYZVPIEUZRLV-WMLDXEAASA-N 404.392 5.006 0 40 HKAB O=C(Nc1ccccc1C(=O)Nc1ccc(Br)cc1)c1ccccc1F 1086611 VPYIGNOZTFYSLI-UHFFFAOYSA-N 413.246 5.093 0 40 HKAB O=C(Nc1cccc(Cl)c1)Nc1ccccc1C(=O)Nc1cccc(Cl)c1 1093344 WPNASGWTMLMMFV-UHFFFAOYSA-N 400.265 5.890 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccs4)c3)nc2c1 1262841 GXBSBIRSJIJOCK-ZDUSSCGKSA-N 410.926 6.976 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)c1cc2sccc2n1Cc1ccc(F)cc1 1324329 LUZSWGXSKBOLAC-UHFFFAOYSA-N 402.853 5.935 0 40 HKAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(N2CCCCC2)cc1 1774759 XJEGRDZYHGVOFC-UHFFFAOYSA-N 403.526 5.762 0 40 HKAB Cc1cc2nc(-c3cc(NC(=O)c4ccccc4Cl)ccc3Cl)oc2cc1C 2093211 FEFLPJIQQXCFMI-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB CCOC(=O)c1c(NC(=O)C(Cc2ccccc2)Cc2ccccc2)sc(C)c1C 2117366 YPOYQXRYOUALQD-UHFFFAOYSA-N 421.562 5.582 0 40 HKAB CC(C)(C)c1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 2124687 SYCITCXCFMHQJG-UHFFFAOYSA-N 411.501 6.114 0 40 HKAB biogenic CCCCSc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 2399252 SJCZTYMMKJKARE-UHFFFAOYSA-N 421.385 6.203 0 40 HKAB Cc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)cc1 2443422 HVRJPTVHZSLPCF-UHFFFAOYSA-N 407.542 6.688 0 40 HKAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1cccc2ccccc12 2620900 MBJKVELTCAZIEC-UHFFFAOYSA-N 400.507 5.029 0 40 HKAB Fc1ccc(Nc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)cs2)cc1 2670995 BMMYQXYSABPKLJ-UHFFFAOYSA-N 405.281 7.260 0 40 HKAB CCn1c(CSCc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)cc1 3134801 FWQOQYYAVFNLNI-UHFFFAOYSA-N 424.422 6.331 0 40 HKAB O=C(Nc1cccc(NC(=O)c2cc3c(s2)CCC3)c1)c1cc2c(s1)CCC2 3230804 FEKIUTFNQBUIMT-UHFFFAOYSA-N 408.548 5.292 0 40 HKAB Cc1cc(SCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)nc2c(C)cccc12 3436752 VUGJGJXKFGMJOC-LJQANCHMSA-N 408.567 5.424 0 40 HKAB O[C@@H](COc1ccc(-c2ccccc2)cc1)CN1CCC(Cc2ccccc2)CC1 4279612 LLRZTMKGVGCFTO-AREMUKBSSA-N 401.550 5.048 0 40 HKAB CCCCOc1ccc(-c2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1 4321397 RZQXVMPIHXULGG-UHFFFAOYSA-N 417.940 6.742 0 40 HKAB CCc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)cc1 4660841 VKSBQZKSEOUWFD-MRXNPFEDSA-N 419.546 6.074 0 40 HKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(C)cc1 5106919 KBNFYNGFPIACIM-UHFFFAOYSA-N 414.461 5.645 0 40 HKAB Clc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)c1 5163716 QNIRSIRURLBZAG-XXBNENTESA-N 404.853 5.311 0 40 HKAB Cc1nn(C(=O)c2ccc(Cl)cc2)c2c1[C@@H](/C=C\c1ccccc1)SC(=N)N2 5852606 XGOQGZPZPBFDEW-UUKWBXHYSA-N 408.914 5.381 0 40 HKAB Cc1ccc(C2=N/C(=C/c3ccc(OCc4ccccc4C)cc3)C(=O)O2)cc1Cl 6868374 ONJOBHFGZICDCQ-YDZHTSKRSA-N 417.892 5.880 0 40 HKAB Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(F)cc2)n1 8664937 PMEUOLRTWVIUEG-JOCHJYFZSA-N 414.436 5.002 0 40 HKAB O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccc(F)cc1)Cc1ccco1 8830938 NQTLPEZMRQCCMI-UHFFFAOYSA-N 410.832 5.570 0 40 HKAB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(C)cc2)cc1 9289254 AGJSNWLNMBHLQH-XMMPIXPASA-N 424.504 5.281 0 40 HKAB Cc1[nH]c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc1Cc1ccccc1 9869069 DGSMZMKGKAVOIP-CYBMUJFWSA-N 420.365 5.735 0 40 HKAB Cc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1NS(=O)(=O)c1ccccc1 10332043 UCAVYFHTFGLSID-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB CCOC(=O)c1cccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1C 10442315 NULIPFBHLJJGHR-UHFFFAOYSA-N 419.546 6.025 0 40 HKAB C[C@@H](NC(=O)N(C)[C@H](C)c1cc2ccccc2o1)c1nc2ccccc2n1C(F)F 12535776 PQFSLMHKHHRNSG-ZIAGYGMSSA-N 412.440 5.641 0 40 HKAB CC(C)c1nnc(SCC(=O)N2c3ccccc3CCc3ccccc32)n1C1CC1 12812054 RAUDCAJYINYZQR-UHFFFAOYSA-N 418.566 5.292 0 40 HKAB C(=C(c1nc2ccccc2s1)c1nc2ccccc2s1)c1ccc2c(c1)OCO2 13301394 UKFYKHQWIOTWNJ-UHFFFAOYSA-N 414.511 6.224 0 40 HKAB CCc1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)c(Br)c1 13989432 PGDIWUYEOBCVSJ-UHFFFAOYSA-N 403.103 5.336 0 40 HKAB CC(C)Oc1ccc(C(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc1 15835585 FOCWKINRUIGSED-HSZRJFAPSA-N 404.535 5.878 0 40 HKAB Cc1cc(C)cc(NC(=O)COc2cccc3ccc(N4CCC[C@H](C)C4)nc23)c1 17010602 LYBKMGIIPTZZDW-KRWDZBQOSA-N 403.526 5.105 0 40 HKAB O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(Cl)c(Cl)c2)=NC12CCCC2 20152227 VYIHLDCMIYQMFG-UHFFFAOYSA-N 421.324 5.675 0 40 HKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 20490785 DVTUMDUSAJCKPE-IFDVCUOJSA-N 417.593 6.486 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCCCC2)c(F)c1 21576274 SWEZOQWSGUGHBU-JLHYYAGUSA-N 424.903 6.381 0 40 HKAB S=c1[nH]nc(-c2ccccc2)n1NCc1cc(Cl)ccc1OCc1ccccc1 22110218 REVXDPFEOAYXQQ-UHFFFAOYSA-N 422.941 5.584 0 40 HKAB O=C(c1cccc(OCc2ccccc2Cl)c1)N1CCN(c2ccc(F)cc2)CC1 22258546 BDLMQVCOCSXHOF-UHFFFAOYSA-N 424.903 5.021 0 40 HKAB O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)Nc1cccc(Cl)c1Cl 27933315 GONBQCNFSGYKDL-UHFFFAOYSA-N 421.250 5.298 0 40 HKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1C 30861985 NMNNPMYJMXEEMR-WOJBJXKFSA-N 416.521 5.200 0 40 HKAB CCCn1c(SCc2cccc(Cl)c2)nc2c(-c3ccccc3)cn(C)c2c1=O 33114543 JYUUHLRGVQNFOJ-UHFFFAOYSA-N 423.969 5.758 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccc4c(c3)C(=O)Nc3ccccc3O4)oc12 38715169 ISOKIGOMVSNBIK-UHFFFAOYSA-N 400.390 5.052 0 40 HKAB Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38849618 XPJWLLLFSXWMFA-AWEZNQCLSA-N 411.760 5.806 0 40 HKAB CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1 40017436 JDHGCQRRJYHJFF-UHFFFAOYSA-N 418.877 5.101 0 40 HKAB Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)n2)c1 46012050 SADBAKLZADTYSW-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB Cc1ccc2c(Nc3ccc(C(C)C)cc3)c(C(=O)N3CCCC[C@H]3C)cnc2n1 49005298 NGDPEWSXXGXQMK-GOSISDBHSA-N 402.542 5.820 0 40 HKAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(Cl)cc1)OCN(Cc1ccncc1)C3 54313332 RYJDEACSSLESFE-UHFFFAOYSA-N 418.880 5.169 0 40 HKAB biogenic Cc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)ccc1Cl 67297072 CVFIRFLLBYPCBZ-LCUIJRPUSA-N 402.881 6.188 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1c[nH]c3ccccc13)CC2 72274636 ZSVAATNHWMJESP-QHCPKHFHSA-N 418.518 5.035 0 40 HKAB O=C(NC1CCCCCC1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 96062748 YXMDZBNZHLKOBW-UHFFFAOYSA-N 417.534 6.071 0 40 HKAB Cc1nn(-c2ccccc2)c(NC(=O)c2ccccc2)c(-c2ccc(Cl)cc2)c1=O 101266606 GRJOCCDNTFGEEW-UHFFFAOYSA-N 415.880 5.114 0 40 HKAB CCOc1cc(CNc2ccccc2)cc(Br)c1OCc1ccccc1 107027430 BBNXWOCXJAMSAU-UHFFFAOYSA-N 412.327 6.039 0 40 HKAB CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 107614159 ZGSDZWPTHYSLKG-UHFFFAOYSA-N 422.550 5.227 0 40 HKAB C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118936406 CIBAPVLFORANSS-NHAPWMHASA-N 414.630 6.002 0 40 HKAB in-man CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1NC(=O)c1ccc(CN)cc1 141854186 WQVWOYXFMKVDGD-UHFFFAOYSA-N 417.509 5.412 0 40 HKAB in-vitro Cc1cccc(COc2ccccc2/C=C2/SC(=O)N(Cc3ccccc3)C2=O)c1 214161270 VJJOHPVHYKCSQV-HZHRSRAPSA-N 415.514 5.811 0 40 HKAB O=C1S/C(=C/c2cccc3ccccc23)C(=O)N1Cc1ccc(Br)cc1 214928663 RCJDLKBENFDREW-XDHOZWIPSA-N 424.319 5.839 0 40 HKAB CCOc1cc(-c2nnc(N)o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 216824696 NMTYZHSSBZCTFB-UHFFFAOYSA-N 414.676 5.257 0 40 HKAB Cc1cccc(CSCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 222737945 SLWRKEMPMVDYPT-LJQANCHMSA-N 418.562 5.358 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 223031825 PVFYGGCDNVHJGF-PMACEKPBSA-N 401.934 5.533 0 40 HKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC)c(C)c3C)ccc21 223194963 DIGPRHUPVFUBDR-UHFFFAOYSA-N 408.523 5.241 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccc(C)c(C)c1 224619701 HTSWLWVSIYIGHL-UHFFFAOYSA-N 403.522 6.150 0 40 HKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)NCc1ccccc1 224971933 WPCGZJUFPIJPJJ-UHFFFAOYSA-N 420.512 5.465 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)N[C@@H]3C[C@@H]4CC[C@@H]3C4)c2)cc1 225323493 JWIJSPRKRMSMHN-RADWXHQJSA-N 406.595 5.690 0 40 HKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1ccc(Cl)cc1 225831552 DWOSQCUDNPMLCZ-UHFFFAOYSA-N 403.869 5.628 0 40 HKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C3CCCCC3)CC2)n1 257286224 PKTYBYJRRNZIMW-XUTJKUGGSA-N 420.601 5.632 0 40 HKAB O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1ccc(Cl)cc1 408527991 QALOSKFOSDWRIR-UHFFFAOYSA-N 413.717 5.163 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)cc3)n2)cc1 408697817 JVKKVKJWDVCZFG-UHFFFAOYSA-N 400.457 5.197 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cc(C)ccc3C)n2)c1 408699925 XGZMTLUCSZYJHL-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB C[C@H](Sc1ccccc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 409110798 GTUOMEMPDYFBMF-ROUUACIJSA-N 404.535 5.297 0 40 HKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cc2ccccc2o1 409352887 ZLRCEIMVFBDZQW-UHFFFAOYSA-N 404.322 6.310 0 40 HKAB CC(C)c1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 409412549 XFHUSLCFHHQXKL-XMMPIXPASA-N 420.534 5.430 0 40 HKAB C[C@@H](CCC[C@@H](C)CO)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1078018290 FYHRJWMENCALJY-JAVQVAPFSA-N 402.663 6.361 0 40 HKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccccc4C(F)(F)F)c(N)c3cc2C1 661860 AURMOROKQGKJQN-LLVKDONJSA-N 419.472 5.665 0 40 HKAB O=C(Nc1ccc(I)cc1)N(c1ccccc1)c1ccccc1 947968 IGPKGWCJSSXVNJ-UHFFFAOYSA-N 414.246 5.661 0 40 HKAB COc1ccc(S(=O)(=O)Nc2c(C)cc(Br)cc2C)c2ccccc12 1094721 LDMDXPJZDGILCA-UHFFFAOYSA-N 420.328 5.029 0 40 HKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccc(C)c(C)c1 1413846 SMBSPUYOGKQSCN-UHFFFAOYSA-N 402.450 5.138 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1 2093950 KQQFEKIYAVMULU-UHFFFAOYSA-N 422.355 7.646 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccc(C)cc2C)cc1 2219341 SAHYBABZOVRMIV-UHFFFAOYSA-N 414.505 5.158 0 40 HKAB CC(C)(C)c1cc([C@H](c2ccc(Cl)cc2)N2CCCCC2)cc(C(C)(C)C)c1O 2667959 XBYYHVRHEKKRLT-QHCPKHFHSA-N 414.033 7.216 0 40 HKAB CCCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 2746596 QOWMHKRAHDPADN-DEOSSOPVSA-N 404.485 6.166 0 40 HKAB COc1ccc(Br)cc1[C@H]1Nc2ccccc2C(=O)N1c1cccc(C)c1 2746700 FIFIDSTWXZRYRA-NRFANRHFSA-N 423.310 5.537 0 40 HKAB O=C(Nc1nc(-c2ccccc2)cs1)c1cc(-c2cccs2)nc2ccccc12 3178422 MXGHLZQIXMEFAY-UHFFFAOYSA-N 413.527 6.339 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)CCCc3c[nH]c4ccccc34)n2)c1 3404116 UWMWKRBYKANHLP-UHFFFAOYSA-N 421.522 5.270 0 40 HKAB Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 4033539 HNBFGJPNCJMGLW-HXUWFJFHSA-N 413.496 5.361 0 40 HKAB Cc1ccc(C(=O)NCCn2cc(SCc3ccccc3)c3ccccc32)cc1 4059808 YRFQHPAOBDGHJK-UHFFFAOYSA-N 400.547 5.672 0 40 HKAB COc1cccc(Nc2c(S(=O)(=O)c3ccc(C)cc3)cnc3ccccc23)c1 4193562 QBKVDPZVSOAOCV-UHFFFAOYSA-N 404.491 5.128 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CCC(=O)[C@@](C)(CCC(=O)O)[C@@H]3CC[C@@]21C 4831130 YSWDCQJTPYALJE-MGJGYUTKSA-N 404.635 6.742 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 4838542 GZECZONYFBTEEU-UHFFFAOYSA-N 420.896 6.579 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(SC)cc2)cc1 5150085 QJZDLKHYCOZPOP-ISKFKSNPSA-N 402.519 5.659 0 40 HKAB Cc1ccc(CSc2nc3c(c(Sc4ccccc4Cl)n2)CCCC3)cc1 5541278 AUFCURWKGZOQTP-UHFFFAOYSA-N 413.011 6.761 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(C2CC2)n1Cc1ccccc1 6532077 BQMBHFFOIMMPJJ-MRXNPFEDSA-N 416.550 5.357 0 40 HKAB CCOC(=O)C1=C(C)NC(SCc2ccccc2Cl)=N[C@H]1c1ccccc1 6594680 FJAYLLLHQPGEPF-IBGZPJMESA-N 400.931 5.111 0 40 HKAB CCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC(C)C)cc3)C2)cc1 6597447 FEOXLOAKMQERGH-LJQANCHMSA-N 424.541 5.034 0 40 HKAB COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 6641694 YIJIXZCEZYBIDV-WLRTZDKTSA-N 408.881 5.832 0 40 HKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cccc(Oc2ccccc2)c1 8327432 UJEOVGPPLORBOP-UHFFFAOYSA-N 403.438 5.174 0 40 HKAB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1)c1cccnc1 9303254 PDIZGPVHQZXUOB-UHFFFAOYSA-N 411.244 5.414 0 40 HKAB CCCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2cccc(OC)c2)n(C)c2ccccc12 9355591 QSJGVFINEVQRQS-HHHXNRCGSA-N 424.544 6.199 0 40 HKAB CCOc1ccc([C@H]2C[C@@H](c3ccccc3F)n3c(nc4ccccc43)N2)cc1Cl 9496688 ZTSZAMUADDQYKD-IRLDBZIGSA-N 421.903 6.374 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 11914866 SQXFQQMPNHMCQP-SFHVURJKSA-N 406.526 5.433 0 40 HKAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(-c3cccc(Br)c3)o2)c1 12745629 MSSCMQWYJIPEKZ-ZDUSSCGKSA-N 417.328 5.479 0 40 HKAB Cc1c(C(=O)N2CCc3sccc3[C@H]2c2cccs2)[nH]c2c1C(=O)CC(C)(C)C2 12761591 JAEDKYNMOAVPHI-NRFANRHFSA-N 424.591 5.389 0 40 HKAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2ccccc2C(F)(F)F)cc1 12767371 BMOQOPILKKINJT-HXUWFJFHSA-N 406.448 5.270 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 13512015 YGJKELZDRWFHOR-POBUXQGNSA-N 404.679 6.584 0 40 HKAB O=C1c2ccccc2[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1C[C@@H]1CCCO1 13943795 APKZQOMPEBDJIF-SIBVEZHUSA-N 408.501 5.559 0 40 HKAB Cc1nn2c3c(nnc2c1-c1ccc(Cl)cc1)C(=O)C[C@H](/C=C/c1ccccc1)C3 14607705 JXENGZXVBSWRNV-IWAYRVGRSA-N 414.896 5.212 0 40 HKAB Cc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1F 15881177 IQAKDHXUISRNEW-UHFFFAOYSA-N 405.469 5.679 0 40 HKAB CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1Br 16697077 WCPNQTWCPYBSEI-UHFFFAOYSA-N 403.323 6.531 0 40 HKAB O=C(COc1ccc2ccccc2c1)Nc1ccc(NC(=O)Cc2ccccc2)cc1 17088504 AMFAJYOOQRBVQJ-UHFFFAOYSA-N 410.473 5.039 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20139208 JUWFOVLBDFESMS-UHFFFAOYSA-N 407.853 5.506 0 40 HKAB COc1ccc(-c2csc(NC(=O)C(C)(C)Oc3ccc(C(C)(C)C)cc3)n2)cc1 21595855 CUAAGBACTIYLPM-UHFFFAOYSA-N 424.566 5.912 0 40 HKAB CCCc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccccc1Cl 22109918 POPFTVXYIHUOSN-UHFFFAOYSA-N 423.369 5.523 0 40 HKAB CN(C(=O)CSc1nc2ccccc2n1C(F)F)[C@@H]1CCCc2ccccc21 25981845 LQTGFYCLDHLENW-QGZVFWFLSA-N 401.482 5.060 0 40 HKAB CCOc1ccccc1-c1nnc(S[C@H](C)c2nnc(-c3cccc(C)c3)o2)o1 26682086 NGVZMWGFXGAPEH-CQSZACIVSA-N 408.483 5.347 0 40 HKAB N=c1oc2ccccc2cc1-c1nc(-c2ccccc2)c(NC(=O)c2ccco2)s1 27562113 HSJZUHIFAZAKCU-UHFFFAOYSA-N 413.458 5.548 0 40 HKAB C[C@H](Oc1ccc(F)cc1F)C(=O)Nc1ccc(Br)cc1C(F)(F)F 27975587 LVGNOYXRHAASCY-QMMMGPOBSA-N 424.163 5.152 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 27977231 YFSMTFLPDKSULX-UHFFFAOYSA-N 421.850 5.733 0 40 HKAB COc1cc(OC)cc(-c2noc(-c3ccc(CSCc4cccc(C)c4)o3)n2)c1 33021804 SYWRQYBJJKAQKS-UHFFFAOYSA-N 422.506 5.756 0 40 HKAB COc1ccccc1/C=C1/CCC[C@H]2C1=NN(c1ccccc1)[C@@H]2c1ccccc1OC 33579068 XBAGCNXOKBXQSH-PURMTMCZSA-N 424.544 6.505 0 40 HKAB COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@H]4CC[C@]3(C)[C@H]2O)cc1 36611825 YMJKZILDEATXRU-UZZDNBOTSA-N 404.550 5.614 0 40 HKAB CCOc1ccccc1OCCCC(=O)N[C@H](c1nc2ccccc2[nH]1)[C@@H](C)CC 40146169 OSUCXVTYUHGDBL-SBUREZEXSA-N 409.530 5.024 0 40 HKAB C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O 44564226 HKXBNHCUPKIYDM-ZDSJCPNKSA-N 412.658 6.612 0 40 HKAB O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc2c(s1)CCCCC2 65547725 WLJFRVTYLRJHIM-UHFFFAOYSA-N 424.488 5.125 0 40 HKAB O=C(c1cnc2ccc(F)cc2c1NCc1ccc(F)cc1Cl)N1CCCC1 67288255 QGPIQJZIVJKDRH-UHFFFAOYSA-N 401.844 5.015 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CSc1nccn2nc(-c3cccs3)cc12 67290122 NXHVBJHBOQHLQV-UHFFFAOYSA-N 414.943 5.150 0 40 HKAB Cc1cc(-n2cncn2)ccc1C(=O)O[C@@H](C)c1sc(-c2ccc(F)cc2)nc1C 84090026 MAPJWEWBSGNEDM-HNNXBMFYSA-N 422.485 5.065 0 40 HKAB O=C(c1ccc(-n2cccc2)cc1)[C@H](C(=O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2 100117572 RBLRFWJHRWQNQJ-LZGZYFLISA-N 415.455 5.624 0 40 HKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccccc2Sc2ccccc2)S1 222605948 BPSSCIFRCNXIPC-XGRCMKMKSA-N 403.576 5.822 0 40 HKAB O=C(COc1cccc2c1CCCC2)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 223476098 TWVNYNDDYLOONR-UHFFFAOYSA-N 415.577 6.051 0 40 HKAB COc1cccc(Oc2ccc(Cl)cc2NC(=S)Nc2ccc(Cl)cc2)c1 225465925 RBKMRNOUAACSDH-UHFFFAOYSA-N 419.333 6.603 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 247645326 JQMQKOQOLPGBBE-RPLLTYNHSA-N 402.663 6.648 0 40 HKAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3cc(C(C)(C)C)nn3C)C2)n1 257265169 LXPQKWHPRYIHNX-FQEVSTJZSA-N 416.569 5.108 0 40 HKAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 408555476 AXPYNOCDQOFOLC-UHFFFAOYSA-N 403.887 5.332 0 40 HKAB Fc1cccc(Cl)c1COc1ccc(Cl)cc1C(=S)NCc1ccco1 408578402 YCPWPSUQAUMQCV-UHFFFAOYSA-N 410.297 5.770 0 40 HKAB CCCc1nc(S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)O)n[nH]1 408632567 RKOGJBGVQCRROK-DHDCSXOGSA-N 424.309 5.542 0 40 HKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc(Cl)c2)nc1-c1ccccc1 408697602 IKEASTTXOJEJOH-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB O=C(CSCc1ccccc1Cl)Nc1ccc(Br)c(Cl)c1 409268397 ZMLGXOINZRPJOF-UHFFFAOYSA-N 405.144 5.628 0 40 HKAB O=C1S/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)C(=O)N1c1ccccc1 409382201 LYWUMVWUBKYJNG-GIDUJCDVSA-N 418.257 5.341 0 40 HKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1c(-c2ccccc2)nc2ccccn12 606422400 WVBGXQZATPUJKA-RHSMWYFYSA-N 400.309 5.531 0 40 HKAB CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccc3Cl)o2)cc1 687344 RVUVKRPIFWZDEB-UHFFFAOYSA-N 417.918 5.156 0 40 HKAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCCCC1 901009 ICPZPLACSHDROF-CQSZACIVSA-N 409.477 5.046 0 40 HKAB CC(C)c1ccc(-c2noc([C@@H]3CCCN(C(=O)c4c(F)cccc4F)C3)n2)cc1 1359943 LOGMCLDIQGQBTL-QGZVFWFLSA-N 411.452 5.158 0 40 HKAB Cc1ccc2cc(CN(C(=O)Nc3ccccc3F)C3CCCCC3)c(=O)[nH]c2c1C 1378340 DWHXKTAOFBCWBK-UHFFFAOYSA-N 421.516 5.651 0 40 HKAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3ccc4ccccc4c3)ccc12 2091671 REFNXELMZAZXNX-UHFFFAOYSA-N 402.446 5.159 0 40 HKAB biogenic CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1c(Cl)cccc1Cl 2265031 DNWXOKAEYHYWCF-CJAUYULYSA-N 402.258 5.079 0 40 HKAB CC(=O)c1ccc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc23)cc1 2616605 JKVKCYMIKGSQNJ-UHFFFAOYSA-N 419.531 5.292 0 40 HKAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=S)Nc1cccc(Cl)c1C 2641670 UBGLOXLZFIFSDD-UHFFFAOYSA-N 410.370 5.268 0 40 HKAB O=c1c2ccccc2nc(SCc2ccc(F)cc2Cl)n1-c1ccc(F)cc1 2974018 WPLAOHZBFGJBLD-UHFFFAOYSA-N 414.864 5.610 0 40 HKAB COc1ccc(NC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 3065309 NVKZIFFKNACAHG-UHFFFAOYSA-N 404.289 5.225 0 40 HKAB C[C@@H](Oc1cccc2c1OC(C)(C)C2)C(=O)Nc1ccc(Oc2ccccc2)cc1 3304835 VOORIGBSSXKGPD-QGZVFWFLSA-N 403.478 5.598 0 40 HKAB O=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 3357349 BNRXERLEUQQGIF-UHFFFAOYSA-N 420.464 5.624 0 40 HKAB O=C(c1ccccc1OCc1ccc(F)cc1)N1CCN(c2cccc(Cl)c2)CC1 3398811 SWYUOSTWARLZOH-UHFFFAOYSA-N 424.903 5.021 0 40 HKAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 4033101 YOXQKEVDTMTRRK-UHFFFAOYSA-N 420.900 5.154 0 40 HKAB CCCCCCOc1ccc(/C=C/C(=O)Nc2ccc(OC(C)C)cc2)cc1OC 4042713 KTVLYYRNLYPKCP-MHWRWJLKSA-N 411.542 6.093 0 40 HKAB NC(=O)c1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CCCCC2 4176866 QUBONCXQNCWXAO-UHFFFAOYSA-N 406.507 5.161 0 40 HKAB COc1cccc(C(=O)N(Cc2cccnc2)c2nc3c(Cl)cccc3s2)c1 4273264 ZCDSYXGYBMKCSK-UHFFFAOYSA-N 409.898 5.200 0 40 HKAB O=C(C[C@@H](Sc1ccc(Cl)cc1Cl)c1ccccc1)c1ccc(F)cc1 4334794 BRUNTAIFFUFDDK-OAQYLSRUSA-N 405.321 7.239 0 40 HKAB Cc1ccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccccc3)[nH]2)cc1 4927677 QMHPXSLGABRSFB-UHFFFAOYSA-N 403.507 5.054 0 40 HKAB COc1ccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1OC 5021692 FMKZOSSDHXSKRJ-UHFFFAOYSA-N 416.868 5.306 0 40 HKAB CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 5284631 WPKLRLZMGLDAPM-LJQANCHMSA-N 423.538 5.090 0 40 HKAB Cc1ccc(C(=O)[C@@H](Sc2nnc(-c3ccccc3)n2C)c2ccc(C)cc2)cc1 6077229 WNJXRVUNERHIFR-QHCPKHFHSA-N 413.546 5.815 0 40 HKAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccccc1Br 6495692 DVIQZYZDWNNQLL-UHFFFAOYSA-N 402.100 5.618 0 40 HKAB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)NC1CCCCCCC1 6557980 TWADUBGSJTUMTE-BUHFOSPRSA-N 420.384 5.789 0 40 HKAB Cc1nnc(S/C(=C\c2ccccc2OCc2cccc3ccccc23)C(=O)O)[nH]1 6588343 WVPHXDBAVQKYPE-BKUYFWCQSA-N 417.490 5.063 0 40 HKAB COc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2C[C@H](C)CC3=O)cn1 6625916 CCAIZEFJGDVDAT-ZDUSSCGKSA-N 411.299 5.075 0 40 HKAB CC[C@H](C)n1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nc2ccccc2c1=O 7237763 FQHVWEDDYQGZBD-AWEZNQCLSA-N 409.555 5.096 0 40 HKAB CC(C)Sc1ccccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 7495762 QGYXIXBARSYRFD-UHFFFAOYSA-N 408.489 5.168 0 40 HKAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCCC[C@@H]1c1nc2ccccc2s1 8131688 GAZHJYAUMZGUIC-OAQYLSRUSA-N 416.550 5.168 0 40 HKAB C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 8143848 KWVISVAMQJWJSZ-INULWVDGSA-N 413.646 5.287 0 40 HKAB in-vitro COc1ccc(C(=O)N2CC[C@]3(Cl)CCCC[C@@H]3[C@@H]2c2ccccc2)cc1OC 8209441 JKAIHNBLNWWOSE-WNOPAQSVSA-N 413.945 5.459 0 40 HKAB Cc1noc(C)c1CC(=O)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 8429385 QRDGAIQAWNLGGE-UHFFFAOYSA-N 407.470 5.461 0 40 HKAB O=C(c1c2oc(-c3cccc(Br)c3)ccc-2c2ccccc12)C(F)(F)F 8445460 KQGOFYOVCWCSQS-UHFFFAOYSA-N 419.196 6.712 0 40 HKAB COc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)ccc1OCc1ccccc1 8534518 PNZLSHUOQKVGHC-NORFSPMMSA-N 405.582 6.113 0 40 HKAB Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccco4)cc3s2)c1 8673878 FRLWSVAURZBIDQ-UHFFFAOYSA-N 423.519 5.181 0 40 HKAB COc1ccccc1N(C(C)=O)c1nc(CSc2ccc3ccccc3n2)cs1 8747665 SOVSWKNJOLIZGN-UHFFFAOYSA-N 421.547 5.677 0 40 HKAB CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)NC1CCCCCC1 9517069 ORBYAAJJRFMMLD-HNNXBMFYSA-N 413.484 5.177 0 40 HKAB CN(Cc1cccc2ccccc12)C(=O)c1nc(-c2ccc(C(F)(F)F)cc2)no1 12409933 ITVYTKSUYIIHJZ-UHFFFAOYSA-N 411.383 5.181 0 40 HKAB C[C@H](CNC(=O)Cc1ccc(Cl)cc1Cl)c1nc2ccccc2n1C(F)F 12556899 VBYHHGQYQFIFQK-LLVKDONJSA-N 412.267 5.201 0 40 HKAB Clc1ccc(C2=NNC(c3ccccc3)=C(c3nc4ccccc4s3)C2)cc1 12769602 WOIOWGAHFVFGET-UHFFFAOYSA-N 401.922 6.216 0 40 HKAB C[C@@H]1Sc2ccc(C(=O)N(CCc3ccccc3)Cc3cccs3)cc2NC1=O 12923113 GZMXYMOLSBJRRN-INIZCTEOSA-N 422.575 5.066 0 40 HKAB CC(C)c1ccc(-c2nc(C(=O)Nc3ccc(C(=O)N4CCCC4)cc3)cs2)cc1 12997833 OBXFAAVEIJTMRE-UHFFFAOYSA-N 419.550 5.422 0 40 HKAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc4ccccc4c3)c2C1 13129721 QUVGFMWAYPYZBA-KRWDZBQOSA-N 424.500 5.308 0 40 HKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 13685729 NOFMGAHCNCTYRH-UXHICEINSA-N 416.521 5.200 0 40 HKAB O=C(O)Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccc(Oc2ccccc2)cc1 13898357 QEJCBCMOQATBCK-UHFFFAOYSA-N 421.905 6.550 0 40 HKAB CC[C@H](Sc1nnc(-c2cc3ccccc3o2)n1CC)C(=O)Nc1ccccc1F 13956581 PXCAGNRRTDYVTN-IBGZPJMESA-N 424.501 5.360 0 40 HKAB COc1cc(Cl)c(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OC 15011326 KUNWGJDVSRYZTK-PXNMLYILSA-N 410.278 5.252 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)C(Cl)(Cl)Cl)c2)cc1 16323138 DCMJMEVHRQCLSQ-UHFFFAOYSA-N 413.732 5.545 0 40 HKAB Cc1cc(NC(=O)[C@H](Sc2ccccc2Br)c2ccccc2)no1 16549069 RMYKJNATDZQZET-QGZVFWFLSA-N 403.301 5.218 0 40 HKAB CC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 16758069 UTRCCHGCHXXHOL-INIZCTEOSA-N 421.953 6.119 0 40 HKAB Cc1c(NC(=S)NC(=O)C(C)C)cccc1-c1nc2cc(Cl)cc(Cl)c2o1 17092912 QOJJJKZGRMZRPN-UHFFFAOYSA-N 422.337 5.579 0 40 HKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1 19691297 QDUMSAQYGFIGDK-DEOSSOPVSA-N 417.484 5.132 0 40 HKAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(OCc2ccccc2Cl)cc1 20451637 KRZQQIWLDNNGEK-UHFFFAOYSA-N 420.896 5.298 0 40 HKAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 20458257 JYVKVFQCLFJWHX-GFCCVEGCSA-N 418.773 5.464 0 40 HKAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1cccc(C)c1 21786991 YINFPQZPXNAILG-HSZRJFAPSA-N 405.542 5.277 0 40 HKAB COc1ccc(-c2nnc(CN(C)[C@H](c3ccccc3)c3ccc(F)cc3)o2)cc1 23238189 RQGMVAWQHAYDAE-HSZRJFAPSA-N 403.457 5.106 0 40 HKAB Cc1ccc(Sc2cnn(-c3ccccc3)c(=O)c2Sc2ccc(C)cc2)cc1 27525538 XFPVVIUVTMCOHJ-UHFFFAOYSA-N 416.571 6.152 0 40 HKAB COc1ccc(-c2nc(CCNC(=O)c3oc4cc(C)cc(C)c4c3C)cs2)cc1 28288580 PBJSSYKHDCWUFI-UHFFFAOYSA-N 420.534 5.463 0 40 HKAB Cc1ccc(C)c(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)c1 34828493 HFFCZHFGTXLUBU-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB Fc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 40487488 VVYYZXQNNUZIFX-XTEPFMGCSA-N 420.487 6.735 0 40 HKAB C[C@@]12CC3CC(NC(=O)c4ccc(-c5cc(Cl)ccc5Cl)o4)(C1)C[C@](C)(C3)C2 41107622 PPKDQDBXDXIFFT-LSFYCGQFSA-N 418.364 6.732 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C)c1ccc(F)c(Cl)c1 60015516 YHCHBMCCGYVYSU-JTQLQIEISA-N 410.251 5.257 0 40 HKAB O=C1N=C(Nc2cccc(C(F)(F)F)c2)/C(=C/c2cccc3nccnc23)S1 72401509 GXQMCINLXPACDY-DHDCSXOGSA-N 400.385 5.367 0 40 HKAB COc1ccccc1/C=C1/CCC[C@H]2C1=NN(c1ccccc1)[C@H]2c1ccccc1OC 83976133 XBAGCNXOKBXQSH-IVNJEUFGSA-N 424.544 6.505 0 40 HKAB CC1=Nc2c(c(=O)[nH]n2C2CCCCCC2)[C@@H](c2ccc(C(F)(F)F)cc2)S1 85411838 LPOFSJAKTQUDBK-QGZVFWFLSA-N 409.477 5.977 0 40 HKAB CCC(=O)N1N=C(c2cccc(F)c2)C[C@@H]1c1cc2ccc(OC)cc2nc1Cl 95116007 WMRVCVZCPKTHEU-HXUWFJFHSA-N 411.864 5.124 0 40 HKAB Cc1csc(/C(=C/c2cc(Br)cs2)c2nc3ccccc3n2C)n1 96891602 TUSYOIAYZVMJAU-RIYZIHGNSA-N 416.369 5.751 0 40 HKAB O=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1Cc1c(Cl)cccc1Cl 106712809 UDTSIHKZCKRYDF-CHHVJCJISA-N 416.688 6.022 0 40 HKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223344263 WNZNAAWTSOESBQ-IERDGZPVSA-N 403.950 5.815 0 40 HKAB O=C(Cc1ccc(Cl)cc1F)NCCSCc1ccc(Cl)cc1Cl 223519026 ICWYOXPOFBYEEP-UHFFFAOYSA-N 406.737 5.378 0 40 HKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Br)c(Cl)c1 224162928 ZIVWMCQPQBMOHG-GFCCVEGCSA-N 408.723 5.387 0 40 HKAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccccc1C(C)C 224231530 RMGYXWHKJQZQFS-UHFFFAOYSA-N 419.477 5.379 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1cccc(Cl)c1 224487419 ILAINNIMWXKYQK-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)c1 225061128 OPWIMWQHSGYWGQ-INIZCTEOSA-N 413.568 5.162 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1 225327644 BGYTWPLQFCKKIV-UHFFFAOYSA-N 411.760 5.237 0 40 HKAB C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@H]1C=CC21OCCO1 256407883 BSIINGMJTPRWBF-POTDNYQPSA-N 402.534 5.641 0 40 HKAB CN(C)C(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cccc3ncccc23)C1 257262401 LLFOURXPEYLPHQ-SFHVURJKSA-N 415.562 5.141 0 40 HKAB CCCOc1ccc(/C=C/C(=O)Nc2ccccc2Oc2ccccc2)cc1OCC 408568621 VOJIWRGCUPHIDW-BMRADRMJSA-N 417.505 6.318 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc1OCC 408625755 YATFIHXDSNIVIB-UHFFFAOYSA-N 419.521 6.617 0 40 HKAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)c1 408643252 QVQSPHMARAKDDU-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(F)cc2)cc1C 408696902 FYKXZTKPXHAITP-UHFFFAOYSA-N 404.420 5.082 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2cccc3ccccc23)nc1-c1ccccc1 408698824 PWFRAKPRQOJSJV-UHFFFAOYSA-N 404.473 5.648 0 40 HKAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)S1 408806496 JKOIRJBOGBDYDW-UHFFFAOYSA-N 418.929 6.046 0 40 HKAB CC(C)[C@@H]1O[C@@H]2c3cc(C(=O)O)ccc3OC(C)(C)[C@H]2C[C@H]1c1ccc(Cl)cc1 2037854343 XEPDLKVJBBNHDU-XODARUQUSA-N 414.929 6.095 0 40 HKAB Clc1cccc(Cc2cn3cc(-c4ccc(Br)cc4)nc3s2)c1 644849 MSEQXELNBDALLO-UHFFFAOYSA-N 403.732 6.070 0 40 HKAB CCOc1ccccc1NC(=O)c1sc2nc(-c3ccc(OC)cc3)ccc2c1N 661488 IVMCHBXRACIMNY-UHFFFAOYSA-N 419.506 5.205 0 40 HKAB CCOC(=O)c1ccc(Oc2coc3cc(OCc4ccccc4)ccc3c2=O)cc1 1448101 XMEIPGGJUBGYAW-UHFFFAOYSA-N 416.429 5.341 0 40 HKAB Cc1cc(C)c(Cn2c([C@@H]3CC(=O)N(c4ccccc4)C3)nc3ccccc32)c(C)c1 1448232 GOZJMCLKEIJRFR-OAQYLSRUSA-N 409.533 5.530 0 40 HKAB CCCCC[C@@H](CN(C)C)C(=O)C[C@@H](SCC)c1ccc(Cl)c(Cl)c1 1573429 BMJQGJIEPWCNSQ-OXJNMPFZSA-N 404.447 6.505 0 40 HKAB Cc1ccc(-c2cc(C(=O)Oc3cccc4ccccc34)c3cc(C)ccc3n2)cc1 2078918 SGYIMYWOXTXISW-UHFFFAOYSA-N 403.481 6.891 0 40 HKAB CCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Br)cc2)cc1 2187851 DXMWHXJJZRHWLM-NRFANRHFSA-N 407.311 5.783 0 40 HKAB COc1ccc([C@H]2C3=C(N=C4SC=C(c5ccccc5)N42)c2ccccc2CC3)cc1 2338422 SNUVWUQXQNZOPQ-SANMLTNESA-N 422.553 6.511 0 40 HKAB Cc1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)c2oc3ccccc3c2n1 2429463 FJCIDVIKWJYXQE-UHFFFAOYSA-N 418.305 5.722 0 40 HKAB CCOc1ccc(OCCSc2nnc(Nc3ccc(CC)cc3)s2)cc1 2629074 VMEUNSMPKFLLMA-UHFFFAOYSA-N 401.557 5.414 0 40 HKAB C[P@@](=O)(Nc1ccc(SC(F)(F)F)cc1)Oc1ccc(Cl)cc1Cl 3145221 KMVPLMIDCTVPCR-QHCPKHFHSA-N 416.188 6.919 0 40 HKAB Cc1ccc(NC(=S)NNC(=S)Nc2ccc(Cl)cc2Cl)cc1Cl 3274885 BYELOELPACNUGB-UHFFFAOYSA-N 419.790 5.143 0 40 HKAB O=C(Cc1ccc(-c2ccccc2)cc1)OCC(=O)c1ccc(Br)s1 3315884 KDFWJJNVWLENTD-UHFFFAOYSA-N 415.308 5.146 0 40 HKAB CC(=O)[C@@H](Sc1nnc(-c2cccnc2)n1-c1ccc(C)cc1C)c1ccccc1 3345602 QVNAMIVBUXLNHT-JOCHJYFZSA-N 414.534 5.369 0 40 HKAB CCOC(=O)c1ccccc1NCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC 3346224 XPGZWBWHJLOULX-UHFFFAOYSA-N 415.493 5.042 0 40 HKAB C[C@@H]1CCc2c(C(=O)OCC(=O)Nc3ccccc3Oc3ccccc3)csc2C1 3390692 UVWZTALQYGEYIU-MRXNPFEDSA-N 421.518 5.461 0 40 HKAB CCCCOc1ccccc1/C=C/[C@]12NC(=O)CCN1c1ccc(C)cc1C2(C)C 4000143 GDONGIREUSQSKL-PUESRJFGSA-N 404.554 5.201 0 40 HKAB biogenic CC(C)(C)c1ccc(OCCCC(=O)NC2CCCCCCCCCCC2)cc1 4042332 XMOBUAZSVCBURN-UHFFFAOYSA-N 401.635 6.933 0 40 HKAB Cc1ccc(-c2nnc(NC(=O)c3cc(Br)ccc3Cl)s2)cc1 4079022 KELUGGWDWPOHIC-UHFFFAOYSA-N 408.708 5.182 0 40 HKAB Cn1c(SCC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2ccccc21 4114760 CYVRKRFRJSNMDA-UHFFFAOYSA-N 410.583 5.849 0 40 HKAB COc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@@H]2C3(Cl)Cl)cc1 4147688 PRQMJZPVAVTUSA-BHIFYINESA-N 415.291 6.058 0 40 HKAB COc1cc(CNCc2ccccn2)ccc1OCc1ccc(Cl)cc1Cl 4384161 JJKQQRKSCKAEBE-UHFFFAOYSA-N 403.309 5.266 0 40 HKAB COc1ccc2nc(SCc3csc(-c4cccc(OC)c4OC)n3)[nH]c2c1 4406565 YJWJYTIQQDLFPK-UHFFFAOYSA-N 413.524 5.005 0 40 HKAB CCc1ccc(OCC(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 4599546 HNJSAFAYFDVMFB-UHFFFAOYSA-N 408.885 5.172 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(Cl)c2)cc1 4715828 ZJKGOOZYHVSQHZ-ZJSXRUAMSA-N 420.896 5.600 0 40 HKAB O=C(C1CC1)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@@H]1c1ccc(Cl)cc1 4816853 TWVWGGQUOKWNDB-MOPGFXCFSA-N 413.308 5.062 0 40 HKAB C=Cc1ccc(COc2ccc(-c3n[nH]cc3-c3ccc(Cl)cc3)c(O)c2)cc1 5210034 UVVDGVRNJZFWTP-UHFFFAOYSA-N 402.881 6.325 0 40 HKAB CCN(CC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)c(Cl)ccc12 5840057 KGMPJLMGMLUCPH-OAQYLSRUSA-N 403.353 5.892 0 40 HKAB COc1ccc2c(c1)C(c1ccc(OCC(C)C)cc1)=NNC(c1ccc(F)cc1)=N2 6134895 JIZJIRAHXRXGPZ-UHFFFAOYSA-N 417.484 5.303 0 40 HKAB COc1ccc(C)cc1CSc1nnc(SCc2cc(C)ccc2OC)s1 6551911 WDBQZQJMXWGAPP-UHFFFAOYSA-N 418.609 5.757 0 40 HKAB O=C(OCc1ccc(Cl)cc1)c1cc(-c2ccccc2Cl)nc2ccccc12 6598583 CNOWEHVCMRUXLZ-UHFFFAOYSA-N 408.284 6.566 0 40 HKAB CCCn1c(C)cc(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(C)cc2)c1C 6610267 VRLZXZVXODQTFC-UHFFFAOYSA-N 417.505 5.094 0 40 HKAB C[C@@H]1CCc2sc(-c3nnc(SCc4ncc(-c5ccccc5)o4)o3)cc2C1 7130779 SIFFQQATHPIVFN-CYBMUJFWSA-N 409.536 5.870 0 40 HKAB Clc1cccc(Nc2nc(N3CCCCCC3)c3cnn(-c4ccccc4)c3n2)c1 7452190 IUOSZZWXJQGKAK-UHFFFAOYSA-N 418.932 5.593 0 40 HKAB CCOc1cc(CNC2CCCCCC2)cc(Cl)c1OCc1ccccc1F 8254152 BPTCDAJHWHLKGE-UHFFFAOYSA-N 405.941 6.269 0 40 HKAB CC[C@H](C)N(C(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)[C@@H](C)CC 8428323 HSXLKIJRHQSTCN-KBPBESRZSA-N 403.979 6.088 0 40 HKAB Brc1ccc(-c2csc(Nc3nc(-c4ccccc4)cs3)n2)cc1 8441992 SQQLKGFHBXOXHQ-UHFFFAOYSA-N 414.353 6.440 0 40 HKAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3C/C=C/c3ccccc3)CC2=O)cc1 8657314 VBKZEOGGILOGPU-CLNPQZTCSA-N 423.516 5.279 0 40 HKAB C=Cc1ccc(COc2ccc(-c3[nH]ncc3Oc3cccc(OC)c3)c(O)c2)cc1 8743310 UKBIYYOLEWVCGP-UHFFFAOYSA-N 414.461 5.805 0 40 HKAB Cc1ccnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(Cl)c2)c1 9159092 DQBBFHUBKPWEOQ-FQEVSTJZSA-N 420.827 5.039 0 40 HKAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)cc1 9419293 BPOQUAPBYYMITH-ZDUSSCGKSA-N 405.885 5.675 0 40 HKAB O=c1c2ccccc2nc(/C=C/c2cccc(F)c2)n1-c1ccc(Br)cc1 9489899 SLIHKLNDTMGKNZ-MDWZMJQESA-N 421.269 5.458 0 40 HKAB CCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 12192293 MPVZWOMNSBNBAJ-AOYPEHQESA-N 414.505 5.726 0 40 HKAB Cc1ccc(NC(=O)CCc2c(C)c3ccc(C)cc3oc2=O)c(Br)c1 12780148 YUBNKKGFCVYNHM-UHFFFAOYSA-N 414.299 5.052 0 40 HKAB Clc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCO4)=NN21 13770241 LPKKWTYOOMVCDL-WMZHIEFXSA-N 404.853 5.311 0 40 HKAB Cc1ccc(-c2nn(Cc3c(F)cccc3Cl)c(-c3ccc(C)cc3)c2C)cc1 13960520 FRSVVFPLRNZSES-UHFFFAOYSA-N 404.916 6.983 0 40 HKAB COc1ccc2cc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)c(Cl)nc2c1 14672858 INZDRZBQZRIKIF-FQEVSTJZSA-N 410.901 5.005 0 40 HKAB COc1cc(C)c(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1OC 14711929 CLRCKEZIPUPVSF-UHFFFAOYSA-N 407.535 5.474 0 40 HKAB O=C(c1ccccc1)[C@H]1Oc2ccccc2[C@H]2CC(c3ccc4ccccc4c3)=NN12 15227306 OZSZXMFQMKYKMV-SHQCIBLASA-N 404.469 5.592 0 40 HKAB COc1ccccc1OCC(=O)N(C)[C@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 15670872 RMSAEMKDHBFJQK-AREMUKBSSA-N 414.505 5.112 0 40 HKAB Cc1ccn2cc(CSc3cc(C(F)(F)F)c4cc5c(cc4n3)OCO5)nc2c1 16363098 RAVGAORCHVNHGD-UHFFFAOYSA-N 417.412 5.231 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1ccc(OC(C)C)cc1)N[C@H](c1ncccc1C)C2 19237835 SCSOTFCFDXAUIP-NVQXNPDNSA-N 418.537 5.171 0 40 HKAB O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1CN1CCCCC1 19911721 LLWBDECVKWZHCB-LDADJPATSA-N 402.903 5.080 0 40 HKAB Cc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 20150879 TVASTYVNZWQJHB-RMKNXTFCSA-N 416.260 5.912 0 40 HKAB COc1cccc(-c2cc(C(F)(F)F)n3nc(C)c(-c4cccc(Cl)c4)c3n2)c1 20759759 KHGPSSOYZCPAAX-UHFFFAOYSA-N 417.818 6.053 0 40 HKAB Cc1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CC[C@H](C)C4)cc1C 25286952 VBGTUEQILKCBNT-HNNXBMFYSA-N 423.582 5.057 0 40 HKAB C[C@@H]1CCN(C(=O)c2csc(COc3ccc(F)cc3)n2)c2ccccc2S1 25597754 HEEPMJPBFBOPLS-CQSZACIVSA-N 414.527 5.392 0 40 HKAB CCOc1cc(/C=C2\SC(=S)N=C2O)ccc1OC(=O)c1ccc(Cl)cc1 27532453 GNYMLVZZFMGBIF-YBEGLDIGSA-N 419.911 5.287 0 40 HKAB O=C(CSCc1nc(-c2cccc(Cl)c2)no1)Nc1cccc2ccccc12 32779106 JJSYXKPZBBLKJY-UHFFFAOYSA-N 409.898 5.415 0 40 HKAB CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3cc(C)cc(C)c3)sc2c1 33000787 PZULPYKDYSACOQ-UHFFFAOYSA-N 413.568 5.383 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cc(Br)ccc1OC 34965518 VRCXBHFCWXOHGH-GFCCVEGCSA-N 421.360 5.098 0 40 HKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)N[C@H](Nc1ccccn1)C(Cl)(Cl)Cl 35185521 PQOGPQCDZDICOM-AYDFFVQHSA-N 422.784 5.377 0 40 HKAB C(=C1/c2ccccc2[C@H]2[C@@H]1O[C@H]1/C(=C\c3ccccc3)c3ccccc3[C@H]21)\c1ccccc1 35614437 QTCLDESTKURNLW-ZFJAOQJISA-N 424.543 7.430 0 40 HKAB C[C@H](NC[C@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)N1[C@@H](C)CCC[C@H]1C 36389642 GVHRIGWZAPAXDC-NYUBLWNDSA-N 409.599 5.129 0 40 HKAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(Cl)cc4)[C@H](O)[C@]3(C)CC[C@@H]21 36614433 OOABHJLKLZEWKP-PTHBEVAGSA-N 408.969 6.259 0 40 HKAB COc1ccccc1-n1c(C)nnc1S[C@@H](C(=O)c1ccccc1)c1ccccc1 40158808 PZQCGMRDKIRWLL-HSZRJFAPSA-N 415.518 5.301 0 40 HKAB Cc1nc(NC(=O)C[C@H]2CCCCO2)sc1-c1csc(Nc2ccccc2)n1 40556444 MUIUUYDABPRGCD-OAHLLOKOSA-N 414.556 5.216 0 40 HKAB CCOc1ccccc1CCCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 44886599 BQUKSPAJSYMDAC-UHFFFAOYSA-N 414.549 5.011 0 40 HKAB Cc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3)=NC23CCCCCC3)cc1C 45933088 OGVQHXZAIAHNGC-UHFFFAOYSA-N 424.997 6.280 0 40 HKAB CSc1cccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc23)c1 49004757 ZRYOZMXWOZHJEW-UHFFFAOYSA-N 406.555 5.420 0 40 HKAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(C(F)(F)F)c1 58163263 ADGXEIYIDBSAOS-UHFFFAOYSA-N 418.846 5.677 0 40 HKAB COc1ccc(C2=N[C@@H](c3ccc4c(c3)OCO4)N=C(c3ccccc3)S2)cc1 59488725 QGJBOVACUGPADP-NRFANRHFSA-N 402.475 5.063 0 40 HKAB Cc1ccc(-c2csc(C(=O)NCCCc3ccccc3)c2-n2cccc2)cc1 64472628 HVZAUVWPNWEDNP-UHFFFAOYSA-N 400.547 5.877 0 40 HKAB COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1O 71279538 PYOCKINPSLOLGV-LJQANCHMSA-N 401.532 5.062 0 40 HKAB Nc1cc(Cl)c(NC(=O)c2ccc(Br)cc2)cc1NC1CCCCC1 72229334 XYSSHTTWRGWZSG-UHFFFAOYSA-N 422.754 5.682 0 40 HKAB CC(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)C4=CC[C@]3(C)[C@H]12 90755701 VTRXZBXHHPHXRX-UYXKQQOGSA-N 424.713 8.233 0 40 HKAB biogenic O=C(/N=c1/scc(-c2ccccc2Cl)n1Cc1ccccc1)c1ccccc1 101024815 JMORKAIMRRYIML-WJTDDFOZSA-N 404.922 5.659 0 40 HKAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@@H](c4ccc(Cl)cc4)C3=C(O)C2)cc1 102622058 ZZHIQAGOAHUJLR-BTYIYWSLSA-N 406.873 5.005 0 40 HKAB Clc1ccccc1COc1ccccc1CNc1ccc(Br)cc1 107041022 XRMFVEOHBTZGRR-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB C[C@@H]1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118913219 GMBQZIIUCVWOCD-IKSKCRHHSA-N 416.646 5.794 0 40 HKAB in-vitro O=C(COc1ccccc1Cl)NCCSCc1ccc(Cl)cc1Cl 218846158 WTOAFTHDKZWDOR-UHFFFAOYSA-N 404.746 5.075 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219387701 NCZXIXKUJBAFBQ-ICSRJNTNSA-N 419.974 5.638 0 40 HKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 222936603 QGWYIOLYPWTLHU-NHCUHLMSSA-N 411.958 5.624 0 40 HKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4c(C)cc(C)cc4C)ccc32)c1 223085361 MOMJSHFFVVPROM-UHFFFAOYSA-N 412.533 5.766 0 40 HKAB CCc1ccc(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 224283308 KSVFAQIKZXGSKY-UHFFFAOYSA-N 414.549 5.980 0 40 HKAB Fc1cc(Br)ccc1NC(=S)NCCCSC1CCCCC1 225591045 QXBYFSNRUDDUAF-UHFFFAOYSA-N 405.402 5.331 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CCCC2)ccc1OCC 225750649 YSRBFAGVYXFERL-UHFFFAOYSA-N 415.917 5.366 0 40 HKAB Cc1ccccc1-c1noc(CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 225815993 CVWFJBREQVQOLP-UHFFFAOYSA-N 409.795 5.289 0 40 HKAB c1ccc(N=Nc2ccc(N=NC(=NNc3ccccc3)c3ccccc3)cc2)cc1 256080895 HWEIIZIRHRWZND-UHFFFAOYSA-N 404.477 7.660 0 40 HKAB CCN1CC2(CCC(N(C)CC3CCCCCCC3)CC2)Oc2ccccc2C1=O 257281126 ONTBEYONDLFSFS-UHFFFAOYSA-N 412.618 5.515 0 40 HKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4ccccc4OC)C3)c2)cc1 257338948 YZOAACPOWAVLAG-HXUWFJFHSA-N 416.521 5.094 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(OCCN3CCC[C@@H](C)C3)cc2)CCC[C@H](C)C1 260814459 IOWJIHRAIYEEDN-BPYKYCOYSA-N 416.606 5.111 0 40 HKAB O=C(Nc1ccc2sc(C(=O)N3CCCC3)cc2c1)c1ccccc1C(F)(F)F 408713211 OGDMJGNVNUJSQW-UHFFFAOYSA-N 418.440 5.408 0 40 HKAB COc1ccc2c(c1)CCc1sc(NC(=O)c3ccccc3-c3ccccc3)nc1-2 409051555 BCWAORGVFJDQMN-UHFFFAOYSA-N 412.514 5.837 0 40 HKAB Fc1ccc(COc2ccc(-c3nc4ccccc4s3)cc2Br)cc1 409191298 UWZRMVZMQJRNOB-UHFFFAOYSA-N 414.299 6.444 0 40 HKAB O=C(Nc1nnc(-c2ccc(F)cc2)s1)c1sc2cccc(Cl)c2c1Cl 526052521 XCKSJTLUNDATLM-UHFFFAOYSA-N 424.309 6.118 0 40 HKAB Cc1ccc(CCc2nc(-c3ccccc3OCc3ccccc3)ccc2C(=O)O)cc1 585265628 POIFSZQGIDTIQQ-UHFFFAOYSA-N 423.512 6.119 0 40 HKAB COc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)[C@@H](C)Oc3ccccc3)c2)cc1 713040 CIIUNCQUPDHRHU-OAHLLOKOSA-N 424.884 5.007 0 40 HKAB C[C@H](Sc1nnc(C2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccccc1 869881 QFQJDDFXBQIEFJ-KRWDZBQOSA-N 406.555 5.434 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12 1200868 KHMCLRKEHWDPJI-UHFFFAOYSA-N 408.910 6.186 0 40 HKAB COC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2)sc2c1CC[C@H](C)C2 1773636 NWTVEHRXWZJDOZ-ZDUSSCGKSA-N 421.946 5.111 0 40 HKAB O=P(OC1CCCCC1)(OC1CCCCC1)[C@@H](O)c1ccc(Cl)cc1Cl 2207397 AHFCAZQJWXOKOL-LJQANCHMSA-N 421.301 6.876 0 40 HKAB CCCCCCn1c(N)c(C(=O)Nc2cc(C)ccc2C)c2nc3ccccc3nc21 2226601 RHSVNVWHKHTQOD-UHFFFAOYSA-N 415.541 5.616 0 40 HKAB Cc1cccc(-c2nnc(SCc3ccccc3C)n2-c2ccc(Cl)cc2)c1 2451421 TWUHGCLIVLZGEF-UHFFFAOYSA-N 405.954 6.497 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c(C)c1 2594352 IDASRNIQLOBJKY-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB CN(C[C@@H](O)COc1c(Cl)cccc1Cl)C(c1ccccc1)c1ccccc1 2624234 SEQOJOCOZSWYNG-LJQANCHMSA-N 416.348 5.455 0 40 HKAB CCCCc1ccc(NC2=NC(=O)[C@@H](Cc3cccc(Cl)c3Cl)S2)cc1 2669280 QFVQLCWVJJYMJE-QGZVFWFLSA-N 407.366 5.989 0 40 HKAB COc1ccc(NC(=O)c2sc(N3CCCCC3)nc2-c2ccccc2)c(OC)c1 2705626 XEGCDKMLTWJGQF-UHFFFAOYSA-N 423.538 5.070 0 40 HKAB CC[C@H]1CCc2c(sc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)c2C(=O)OC)C1 2741495 HRWAIWNOBGIIAH-OLZOCXBDSA-N 421.946 5.109 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1cc(-c2cc(C)ccc2C)nc2ccccc12 2770617 CMCGSRMKOHSPPX-UHFFFAOYSA-N 408.545 6.896 0 40 HKAB Clc1cccc(CSc2nc(NCCc3ccccc3)c3ccccc3n2)c1 2941479 OHYDANHGLKIKTA-UHFFFAOYSA-N 405.954 6.230 0 40 HKAB O=C(COC(=O)c1cc(Cl)ccc1Cl)Nc1ccccc1-c1ccccc1 3333102 BDWXMEAHWNXMBU-UHFFFAOYSA-N 400.261 5.456 0 40 HKAB COc1ccc([C@H]2OC[C@@]3(COC(=O)Nc4ccccc4)[C@H](C)C=C(C)[C@@H]2[C@H]3C)cc1 4025681 OGCHLIHOPGTPPY-APIFBRGOSA-N 421.537 5.850 0 40 HKAB CCOCCCNC(=O)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 4030201 AVXULQZSPUSULE-BBDZFPCASA-N 404.554 5.140 0 40 HKAB O=C(Nc1cc(-c2ccc(Cl)cc2)nc2ccccc12)OCc1ccc(F)cc1 4051431 JAHYOSOIIMCRJM-UHFFFAOYSA-N 406.844 6.443 0 40 HKAB Cc1ccc(S(=O)(=O)N2CC[C@]3(Cl)CCCC[C@@H]3[C@@H]2c2ccccc2)cc1 4318359 UBOPKOJZKXANGC-BHIFYINESA-N 403.975 5.299 0 40 HKAB Cc1cccc(OCCn2c(SCc3nc4ccccc4[nH]3)nc3ccccc32)c1 4321325 FBHOQCFRECZFFF-UHFFFAOYSA-N 414.534 5.592 0 40 HKAB O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)Nc1nc2ccccc2s1 4355593 JBWBUEWYGYEESC-UHFFFAOYSA-N 412.927 5.138 0 40 HKAB O=C1CC2(CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)Oc2ccccc21 4505691 GXZYGEKESDEWEJ-UHFFFAOYSA-N 405.281 5.025 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc4ccccc4c2)N3)C1 4553659 XNPBHYAYWDRBEJ-GCJKJVERSA-N 404.579 6.871 0 40 HKAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc(F)cc2)cc1 4619280 OXGWAESULHSOLP-UHFFFAOYSA-N 405.347 5.898 0 40 HKAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(F)cc2)n2c(nc3ccccc32)N1 4742067 IKYBHDSMXDJIPD-HSZRJFAPSA-N 412.468 5.411 0 40 HKAB Cc1ccc(C2=NC3(CCCC3)N=C2SCC(=O)Nc2ccc(Cl)cc2)cc1 4891517 XAEZBMYHRALMDP-UHFFFAOYSA-N 411.958 5.492 0 40 HKAB Cc1cccc(-c2nnc(S[C@H](C)C(=O)c3ccc(Br)cc3)o2)c1 4926329 SNYKIOAOBVUDTH-GFCCVEGCSA-N 403.301 5.171 0 40 HKAB C[C@H]1CC(C)(C)N(C(=O)CSc2ccc(-c3ccc(F)cc3)nn2)c2ccccc21 4966308 CWSYWHROEIWHNI-INIZCTEOSA-N 421.541 5.694 0 40 HKAB CCOc1ccc(OCC)c(NC(=O)c2cc3sccc3n2Cc2ccccc2)c1 4970911 HQIMDTDUUNELSL-UHFFFAOYSA-N 420.534 5.801 0 40 HKAB Clc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1cccs1)O2 5218211 KXCBZJUWWVWHBU-KKSFZXQISA-N 410.882 5.373 0 40 HKAB COc1ccc([C@@H](c2c(O)ccc3ccccc23)c2cccc3cccc(O)c23)cc1 5527091 ATQHFGVNYKEZPX-HHHXNRCGSA-N 406.481 6.593 0 40 HKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccc(C)c(C)c3)cc2Cl)cc1 6390704 CUSJPRGBLXGYBX-UHFFFAOYSA-N 408.929 5.895 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc2c(c1)OCCO2 6480354 CMJHUBMIJJVHMO-UHFFFAOYSA-N 407.278 5.140 0 40 HKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccccc4C)cc3n2)cc1 6636003 GIVZEVXRIIRTKA-UHFFFAOYSA-N 418.928 5.977 0 40 HKAB CCCCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCC)c1 6753002 UKTYIBRTKGNCCH-DEOSSOPVSA-N 419.525 5.307 0 40 HKAB CC(=O)Nc1ccc(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 6919600 ZDKUYDQVPQMGES-MRXNPFEDSA-N 406.507 5.557 0 40 HKAB Fc1cc2c(c(CSc3nnc(-c4ccco4)o3)c1)O[C@H](c1ccccc1)OC2 6943796 VKKFQDIWLBHHGM-HXUWFJFHSA-N 410.426 5.369 0 40 HKAB CCOc1cc(CNCCCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 8253952 XKOLTMLKFOVXGC-UHFFFAOYSA-N 411.373 5.012 0 40 HKAB CCc1ccc(/C=C2/SC(Nc3ccc(Cl)c(C(F)(F)F)c3)=NC2=O)cc1 8337798 ZTECZNUEXKMPMP-CXUHLZMHSA-N 410.848 6.004 0 40 HKAB CC(C)Sc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 8479372 OPLRRMSGHXCMTA-GOSISDBHSA-N 418.562 5.930 0 40 HKAB O=C(/C=C/c1ccc(F)cc1)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 8916621 QOSHWYMRGXTFOL-CEQQRPIWSA-N 408.300 5.354 0 40 HKAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)c1ccc(-c2ccccc2)cc1 9036647 KPBCIYAXROXCQA-UHFFFAOYSA-N 422.484 5.397 0 40 HKAB COc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc(C)c2)c1 9159943 WTNXKFMZKRQYCC-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB O=S(=O)(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)c1ccc(Cl)s1 9459886 GVPSDLDAALSVOY-CQSZACIVSA-N 422.984 5.055 0 40 HKAB Clc1cccc(Nc2nc(N3CCCCC3)nc3c2cnn3-c2ccccc2)c1 9622618 LHLBLDFMAOSYBM-UHFFFAOYSA-N 404.905 5.203 0 40 HKAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccccc1Oc1ccccc1 11475307 GFLCLTORDCTGQW-UHFFFAOYSA-N 402.425 5.844 0 40 HKAB COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3ccccc3C)oc12 12437465 UKIFMZDUCRLARP-IZHYLOQSSA-N 419.502 5.123 0 40 HKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc12 12468899 YRNHHNWLJJSKBX-UHFFFAOYSA-N 423.497 6.547 0 40 HKAB C[C@@H](c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCC[C@@H]1c1cccs1 12620272 VCSUQBUIIMVFRT-WMLDXEAASA-N 407.564 5.611 0 40 HKAB O=C(CCC(=O)N1CCc2sccc2[C@H]1c1cccs1)c1ccc(Cl)cc1 12911059 AZYIMOHYUUDPFF-NRFANRHFSA-N 415.967 5.600 0 40 HKAB O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NCc1cccs1 12926643 PPFBEVUBMCWGBK-UHFFFAOYSA-N 407.926 5.113 0 40 HKAB Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3cccc(Cl)c3)n2)c1 13628534 CPKRJRHPTCTGEQ-UHFFFAOYSA-N 404.322 5.636 0 40 HKAB Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 13631179 YAAUZNKWXHUTQC-FQEVSTJZSA-N 416.521 5.281 0 40 HKAB Cc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Cl 14649587 MFPGQFIYYMZSRB-UHFFFAOYSA-N 410.739 5.726 0 40 HKAB COc1ccc(-c2c(C)nn3c2N=C(c2ccc(C)cc2)C[C@H]3c2ccncc2)cc1 16292198 SIULNQTUBSDYNB-DEOSSOPVSA-N 408.505 5.684 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 17089103 VECWZTOZCHFSGL-AWEZNQCLSA-N 412.327 6.377 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 20106780 UVBTZKVGINAXQH-LEWJYISDSA-N 405.991 6.123 0 40 HKAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2cccc3ccccc23)cc1OC 20487355 QKONDOQPLCLXPD-JOCHJYFZSA-N 421.537 5.154 0 40 HKAB COc1cc(CN[C@@H](C)[C@H](O)c2ccccc2)cc(Cl)c1OCc1cccs1 22107576 FKNRXMIRVXGEBF-BTYIYWSLSA-N 417.958 5.201 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN[C@@H](c4ccccc4)C(C)C)[nH]c(=O)c23)cc1 24634692 RSUODBVSUNOMHJ-HSZRJFAPSA-N 417.578 5.755 0 40 HKAB CSCC[C@@H](NC(=O)c1ccc(SC(F)F)cc1)c1nc2ccccc2[nH]1 26756549 HCJILUZBGHKPKB-MRXNPFEDSA-N 407.511 5.102 0 40 HKAB O=C(COc1ccccc1Cl)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 32623684 DISQMGZCBDEFEO-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB CCOC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 44947905 GFMZVRMEKKFMMT-UHFFFAOYSA-N 414.505 5.068 0 40 HKAB O=c1c2sccc2nc(SCc2ccc(F)cc2)n1Cc1ccccc1F 67259905 CSVYUSIUHPLZJM-UHFFFAOYSA-N 400.475 5.077 0 40 HKAB Nc1c(Br)cc2nc(-c3ccc(Cl)cc3)oc2c1Br 70461354 BKUQPLJFZFRDGC-UHFFFAOYSA-N 402.473 5.255 0 40 HKAB CCCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215760 UEQJOQSZGLGWOZ-OAQYLSRUSA-N 401.595 6.093 0 40 HKAB CCOc1ccc2c(c1)-c1c(ss/c1=N/c1ccccc1OCC)C(C)(C)N2 100112677 AXDPLBOQZPZEQI-XTQSDGFTSA-N 412.580 6.167 0 40 HKAB Fc1ccc(NCc2c(OCc3ccccc3F)ccc3ccccc23)cc1Cl 106955886 MHASQBZGJZMLBG-UHFFFAOYSA-N 409.863 6.963 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1Cl)N1[C@H](c2ccccc2)[C@H]1c1ccccc1 107917534 OOTJAICCVADQRI-WOJBJXKFSA-N 404.318 5.480 0 40 HKAB CCOc1cccc2sc(NC(=O)[C@H](C)Oc3cccc(C(F)(F)F)c3)nc12 141562487 GTDARPUTNAJQOV-NSHDSACASA-N 410.417 5.120 0 40 HKAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222804391 IEXOMWUTYONIFH-OALUTQOASA-N 418.349 5.641 0 40 HKAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccccc1C(C)C 224235313 HIXRBBTXCPMFOH-UHFFFAOYSA-N 417.549 6.575 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)N1CCCCC1 225357065 KUKBNVILFMIGTE-UHFFFAOYSA-N 405.325 5.191 0 40 HKAB C[C@@H](NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)c1ccc(F)cc1 225833897 RVQKNKFVPZMWCK-QGZVFWFLSA-N 415.468 5.353 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2C(=O)c2cc(C(C)C)n[nH]2)n1 257339383 ZBLZJTYIRJFXFA-HSZRJFAPSA-N 406.505 5.410 0 40 HKAB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2cccc3ccccc23)n1 408529107 ZXPFCPZVHWHBRK-UHFFFAOYSA-N 419.937 5.989 0 40 HKAB COc1ccccc1NC(=O)c1nc(-c2cccc(C)c2)n(-c2cc(C)ccc2C)n1 408697214 GCUDTXKEOQFCFK-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)S1 408815670 XTUAKMJYKOVMKH-UHFFFAOYSA-N 411.547 5.207 0 40 HKAB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2c[nH]c3ccccc23)C1=O 408816038 QSDCPDIGMHWPCR-CTTJRONWSA-N 416.570 6.222 0 40 HKAB CCOC(=O)c1sc(NC(=O)c2ccccc2)c(C(=O)OCC)c1-c1ccccc1 409116229 IMPSEGXZRNVCBM-UHFFFAOYSA-N 423.490 5.021 0 40 HKAB CCc1ccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 409332989 UBTXTIDPXQDMNP-BOPFTXTBSA-N 402.313 5.248 0 40 HKAB CCc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1 409350245 XCTXPBAIUSYDEX-MOSHPQCFSA-N 408.523 5.047 0 40 HKAB CC(C)CN1CCOc2ccccc2CCCCC2(CCN(C(=O)C(C)C)CC2)C1 643588757 KLYXTJWTYSLWNU-UHFFFAOYSA-N 414.634 5.015 0 40 HKAB O=C(c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl)N1CCCCCC1 677444 OWCCNJVYQXMRFZ-UHFFFAOYSA-N 422.838 5.085 0 40 HKAB CC(=O)N1c2ccccc2[C@@H](N(C(=O)Cc2ccc(F)cc2)c2ccccc2)C[C@H]1C 822382 JJZVHAROZSZJEF-CJAUYULYSA-N 416.496 5.288 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc3scc(-c4ccc(Cl)cc4)n23)cc1 937475 XZPOJAPSTNGNIW-UHFFFAOYSA-N 414.943 5.150 0 40 HKAB O=C(CSc1nc(C2CC2)nc2ccccc12)Nc1ccc(Br)cc1 1332589 KJJNQLPREDWKMX-UHFFFAOYSA-N 414.328 5.001 0 40 HKAB Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1F 1380209 VVPQBATYJWBIRM-HSZRJFAPSA-N 420.484 5.174 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@](C)(CC)OC3 2314787 KQVJWXNWCBOOFC-OAQYLSRUSA-N 400.569 5.191 0 40 HKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cn1 2426727 BXTMZTPCBLACOW-IBGZPJMESA-N 423.255 5.245 0 40 HKAB O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)c1ccc(Cl)cc1 2433215 PGERZQVWPZDJLO-UHFFFAOYSA-N 423.900 5.702 0 40 HKAB Cc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccccc2Cl)cc1 2453972 XMFAKTJTBUBKIU-UHFFFAOYSA-N 405.954 6.497 0 40 HKAB Cc1ccc(-c2nnc(Oc3ccc(-c4ccccc4)cc3)c3ccccc23)cc1C 2680085 MVLXRVJFARNEAH-UHFFFAOYSA-N 402.497 7.373 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc(COc2ccccc2Br)o1 2753796 ANUHXYBXFGJEPO-UHFFFAOYSA-N 416.271 5.272 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cc(Cl)cn(Cc2cccc(Cl)c2)c1=O 3052051 CKUUVBHMRFQTOK-UHFFFAOYSA-N 407.684 5.109 0 40 HKAB O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1cc(F)c(F)cc1Cl 3269346 BTDBNMTYSPSCNP-UHFFFAOYSA-N 406.813 5.795 0 40 HKAB CCOc1ccc(CCNC(=O)c2ccccc2OCc2ccccc2)cc1OCC 3288026 QGXZBBNSUMYTCP-UHFFFAOYSA-N 419.521 5.036 0 40 HKAB O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cccc(Cl)c3Cl)[C@@H]12 4145125 WQXWAFMYHQNXKI-GCJKJVERSA-N 410.325 6.774 0 40 HKAB Cc1ccccc1OCC(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4162454 IXRQSUMQTGDMKB-UHFFFAOYSA-N 400.434 5.011 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1-c1nc2ccccc2s1 4194722 KNPBBUZUCZREMN-UHFFFAOYSA-N 410.498 6.377 0 40 HKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc1 4240738 AIBARDNIZBRELY-DEOSSOPVSA-N 416.521 5.031 0 40 HKAB O=C(CSc1ccccc1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 4304722 LTHVEUDLEUHERV-UHFFFAOYSA-N 409.511 5.156 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2C(N)=O)C1 4628701 KQARDHCXFOGAFT-KBAYOESNSA-N 410.583 5.130 0 40 HKAB CSc1nc(SCC(=O)c2ccc(F)cc2)c2c3c(sc2n1)CCCC3 5033255 ODWVIYZKQXZAOE-UHFFFAOYSA-N 404.557 5.406 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc3ccccc3o2)c2ccccc2)c1 5628615 LYELUZMUZKULDZ-NRFANRHFSA-N 402.475 5.503 0 40 HKAB COc1ccc(NC(=S)Nc2ccccc2)cc1NC(=S)Nc1ccccc1 6027330 NUXCESXYCALMNN-UHFFFAOYSA-N 408.552 5.313 0 40 HKAB CCCOc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 6073298 DGXLLTLYNMJHOP-FQEVSTJZSA-N 415.559 5.285 0 40 HKAB CN(C(=O)/C=C/c1cccc(Cl)c1)[C@]1(c2ccccc2Cl)CCCCC1=O 6508789 PTGRRKWBVIZDBM-GNNUASRNSA-N 402.321 5.504 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 6596473 MOWJKPWMPKKQQP-SLZMIMFISA-N 414.332 7.419 0 40 HKAB Cc1ccc(NC(=O)c2nc(SCc3ccccc3F)ncc2Cl)cc1C 6748046 YZRMMZJULWFQDQ-UHFFFAOYSA-N 401.894 5.431 0 40 HKAB CCCCC1CCC(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)CC1 6781392 GZMHUDNKFZDHII-UHFFFAOYSA-N 407.583 6.602 0 40 HKAB CSC1=NC2(CCN(C(=O)Nc3ccccc3C)CC2)N=C1c1ccc(C)c(C)c1 7003004 OKHAMASBAAQENK-UHFFFAOYSA-N 420.582 5.200 0 40 HKAB COc1ccc(N2C[C@H](c3nc4ccccc4n3[C@H](C)c3ccccc3)CC2=O)cc1 8657327 UHJWVDHATRJQCI-UYAOXDASSA-N 411.505 5.175 0 40 HKAB CCCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 8718641 KIGJQIKRGBHIAH-CYBMUJFWSA-N 418.925 5.267 0 40 HKAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)o3)sc2c1 8903712 DOKRAWRHWWFLBK-UHFFFAOYSA-N 406.463 5.374 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)c1 9168719 GVVBLIPTOVBKCP-UHFFFAOYSA-N 422.000 5.664 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(Cl)cc3)C3CCCCC3)cc2c1 9281575 AZPHOEIIEHVVCH-UHFFFAOYSA-N 408.929 5.465 0 40 HKAB Cc1cccc2c(=O)c(-c3cccc4ccccc34)c(NC(=O)c3ccccc3F)oc12 9327770 XCOLEIUJINLYGA-UHFFFAOYSA-N 423.443 6.313 0 40 HKAB Cn1c(SCc2nc(-c3cccc(Cl)c3)no2)nnc1-c1ccc(Cl)cc1 9478488 FEJDAMARWWGLMX-UHFFFAOYSA-N 418.309 5.131 0 40 HKAB C[C@@H]1CC(=O)c2c(OCC(=O)Nc3ccccc3Oc3ccccc3)ccc(F)c21 9614250 IPQHPXLCMCZHCJ-OAHLLOKOSA-N 405.425 5.325 0 40 HKAB CCOc1cccc2cc(-c3csc(NC(=O)c4cc(OC)cc(OC)c4)n3)oc12 10749438 HCUCPCKVOBXXRG-UHFFFAOYSA-N 424.478 5.225 0 40 HKAB CC[C@H]1Oc2c(OC)cc(Br)cc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 12273856 NNJNUAGMWFUVJF-SJLPKXTDSA-N 421.722 5.391 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](N[C@H](C)c1cc2ccccc2o1)c1ccccc1 12813622 IFMNCHLWKKYWJI-CJAUYULYSA-N 414.505 5.780 0 40 HKAB O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1cccc(Cl)c1Cl 12908987 RIJHLKQSVQWDGT-LJQANCHMSA-N 409.313 5.512 0 40 HKAB Cc1cccc(C=C(C(=O)N[C@@H](C)c2ccccc2)C(=O)N[C@H](C)c2ccccc2)c1 13525853 WNQOTSYFWDSKAJ-OYRHEFFESA-N 412.533 5.133 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(Cc2ccc(Cl)cc2)s1 13569337 CRYOPAHKRNGWSZ-UHFFFAOYSA-N 413.717 5.733 0 40 HKAB CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)cc1 13658355 LDVHAMXWJILUCY-JOCHJYFZSA-N 424.632 7.732 0 40 HKAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1C(F)(F)F 13676796 PYCACWUDNKXUNG-UHFFFAOYSA-N 418.651 5.608 0 40 HKAB COc1cc2sc(NC(=O)c3ccc(Cl)cc3Cl)nc2c2cccnc12 13690327 QGHDINWUUMOTOQ-UHFFFAOYSA-N 404.278 5.412 0 40 HKAB Cc1ccc(C(=O)NC(Nc2cccc(Cl)c2C)(C(F)(F)F)C(F)(F)F)cc1 13756499 XUVQVKUQZRHRPX-UHFFFAOYSA-N 424.772 5.620 0 40 HKAB COc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 15881146 GPHZFWMYLFSYDX-UHFFFAOYSA-N 403.478 5.240 0 40 HKAB Fc1ccc(COc2ccc3ccccc3c2CNC23CC4CC(CC(C4)C2)C3)cc1 16525830 FRBGJWBAGYAYTH-UHFFFAOYSA-N 415.552 6.616 0 40 HKAB Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)C[C@H]3C=CCC3)cc2)on1 19123841 KDHMLECPJDFJGM-SFHVURJKSA-N 416.525 5.203 0 40 HKAB Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN2C(=O)c2nccc3ccccc23)n1 19690897 LVKXXWUZXOUCPZ-AREMUKBSSA-N 421.544 5.815 0 40 HKAB Clc1ccc(-c2n[nH]c(SCc3nnc(-c4ccc(Cl)cc4)o3)n2)cc1 19928770 INBNXYPUORTPAX-UHFFFAOYSA-N 404.282 5.121 0 40 HKAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1cccc2ccccc12 20039935 CXCFNPQZNBBVSP-JOCHJYFZSA-N 404.510 5.166 0 40 HKAB Cc1ccc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccc(F)cc3)c2c1 20382466 WMONCUJRQSVPPY-UHFFFAOYSA-N 406.482 5.127 0 40 HKAB Cc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1ccc(Br)cc1 21635968 RCVHIVGAEXIAQK-UHFFFAOYSA-N 407.358 5.215 0 40 HKAB O=C(Nc1ccccc1-c1nc(-c2ccncc2)no1)c1ccc(Cl)cc1Cl 22458784 KYHXLHKGIWLSNK-UHFFFAOYSA-N 411.248 5.358 0 40 HKAB COc1cccc([C@@H]2CN[C@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c32)c1OC 23982848 DZUAOPYJKPTDSH-WMZHIEFXSA-N 418.924 5.663 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1 26124543 MVFUUSYECMDZAC-LFYBBSHMSA-N 418.884 5.043 0 40 HKAB Clc1ccc(OCc2cn3cc(-c4ccc(Cl)cc4)c4c3n2CCCC4)cc1 27526391 CFEIRYJRIVCSJL-UHFFFAOYSA-N 411.332 6.630 0 40 HKAB O=C1N/C(=N\c2ccc(Br)cc2)S/C1=C\c1cccc2ccccc12 35647873 KLFSTGHWAKOGJS-PDGQHHTCSA-N 409.308 5.494 0 40 HKAB CC(=O)OCC(C)(C)[C@@H](OC(C)=O)C(C)(C)[C@H]1Nc2ccccc2-c2ccccc21 38337892 JEBKMKIAQLPXBR-XZOQPEGZSA-N 409.526 5.367 0 40 HKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 44900143 XSSOTKMEKKVMCE-NRFANRHFSA-N 422.912 5.066 0 40 HKAB CCOc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 44911263 PABIZFVPCZVAST-UHFFFAOYSA-N 407.341 5.243 0 40 HKAB Cc1ccc2c(Nc3ccc(C)c(Cl)c3)c(C(=O)N3CCCC[C@H]3C)cnc2n1 49005219 IAZFXNVNFGKWQS-MRXNPFEDSA-N 408.933 5.658 0 40 HKAB O=C(CN[C@@H](c1ccccc1)c1cccs1)Nc1ccccc1Oc1ccccc1 57392033 ZQWGNTUGQFXHJZ-VWLOTQADSA-N 414.530 5.858 0 40 HKAB Cc1noc(C)c1CC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCC[C@@H](C)[C@@H]1C 58165824 XTIMGIRHXULJEU-HKZYLEAXSA-N 406.929 5.480 0 40 HKAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72214886 XXJPLDXGQVXLMA-SFHVURJKSA-N 419.566 5.694 0 40 HKAB Cc1c(C(=O)N2CCC(C(=O)c3nc4ccccc4s3)CC2)oc2ccccc12 72335412 APERSSHSXHQUGP-UHFFFAOYSA-N 404.491 5.086 0 40 HKAB CC(=O)Nc1ccc(CN2CCC[C@H]2c2cccc(Cc3ccccc3F)n2)cc1 72358111 XRMPNKCIOMUDPL-VWLOTQADSA-N 403.501 5.107 0 40 HKAB O=S(=O)(c1ccc(NCc2ccc(-c3nc4ccccc4s3)o2)cc1)C(F)F 89878645 WIZQRDKZZZTXRT-UHFFFAOYSA-N 420.462 5.165 0 40 HKAB C[C@H]1CCCN1C1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1 89929866 MFMUEKDIZDPSSH-SFHVURJKSA-N 412.961 5.008 0 40 HKAB COc1ccc(OC)c(NC(=O)NC23C[C@@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)c1 100888920 FNGCHFRKGHCKDW-JKRLWXMKSA-N 420.553 5.424 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)NCCSc2ccccc2)c(Br)c1 218879267 UQNLYJSMPYTNTA-UHFFFAOYSA-N 422.388 5.034 0 40 HKAB COc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccc(C(C)(C)C)cc1 224180389 XAPZPMDWIBBEKM-UHFFFAOYSA-N 407.485 5.963 0 40 HKAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C 224182352 PPEAGWISGAOKQY-FQEVSTJZSA-N 400.522 5.366 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccc(Cl)c(C)c1 224204331 HQFOEBMWAJDSGB-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB COc1cccc(NC(=O)c2ccc(OC)c(COc3ccc4ccccc4c3)c2)c1 224314361 QTXBCVJAMNHWCS-UHFFFAOYSA-N 413.473 5.688 0 40 HKAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)[nH]1 225382535 WSSCCWQBMRTWTD-DHIUTWEWSA-N 418.566 5.217 0 40 HKAB CC[C@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(C)cc1C 225715539 PNLCXZZPWUHQDM-KRWDZBQOSA-N 411.796 6.157 0 40 HKAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225739413 OIWNDTWEBBBVDP-RDPSFJRHSA-N 404.595 5.254 0 40 HKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 228949766 VPIQNFOOGASHET-UHFFFAOYSA-N 420.353 6.501 0 40 HKAB COC(=O)CCc1ccc2c(c1)[C@H]1O[C@@H](Cc3ccc(F)cc3)CC[C@@H]1C(C)(C)O2 257277381 NXTPTNUYMXOILQ-NHCICSSKSA-N 412.501 5.181 0 40 HKAB COc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)cc3)n2)cc1 408695419 QMLDKUZXTJGEPL-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB CCOc1cc(CNc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1 409116153 LVSIUGLMPBDKDZ-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3n2)cc1 667104 GJYCVERQOHNACY-UHFFFAOYSA-N 420.472 5.348 0 40 HKAB Nc1c(C(=O)N(c2ccccc2)c2ccccc2)sc2nc3c(cc12)CCCCC3 689559 GPNCFTTTZLTLHD-UHFFFAOYSA-N 413.546 6.126 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)n2C)c1 924664 WZJQGULHBGRCBS-UHFFFAOYSA-N 414.534 5.248 0 40 HKAB O=C1c2ccccc2C(=O)N1c1ccc2nc(SCc3ccccc3F)sc2c1 1061942 WMZRKKHORGIITJ-UHFFFAOYSA-N 420.490 5.528 0 40 HKAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)c1cccs1)c1cccc(F)c1 1376091 PYOMFWATUKJPAT-QFIPXVFZSA-N 422.525 5.334 0 40 HKAB Cc1ccc(C[C@](O)(CC(O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1C 1723837 CIEXEEJFTYKRAH-LJAQVGFWSA-N 422.568 6.060 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 2179192 WIHOLXCYYHIGTO-GOSISDBHSA-N 400.522 5.727 0 40 HKAB COc1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]2)c(OC)c1C 2252393 NMILNCOVYTYDAH-UHFFFAOYSA-N 406.432 6.015 0 40 HKAB CCOc1ccc(NCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)cc1 2887782 LEQDBWQTDPPRJN-UHFFFAOYSA-N 417.534 5.336 0 40 HKAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1 3264771 XNPPYNMMYNQATH-MRXNPFEDSA-N 414.461 5.241 0 40 HKAB COc1ccc(C(=O)Oc2ccc3c(-c4ccc(OC)cc4)cc(=O)oc3c2C)cc1 4043209 FVDSDOPDZVKWRU-UHFFFAOYSA-N 416.429 5.005 0 40 HKAB biogenic CC1=C(CC[C@H](C)N(C)Cc2ccc(O[C@@H](C)CN(C)C)cc2)C(C)(C)CCC1 4683515 AHMKXJCUCWLAPV-VXKWHMMOSA-N 400.651 6.143 0 40 HKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 4698064 VREMPXGYBNTDNF-UHFFFAOYSA-N 420.940 6.693 0 40 HKAB COc1cc2c(cc1NC(=O)c1ccc3oc4ccccc4c3c1)oc1ccccc12 4698367 UWZYSIIHTZTNJL-UHFFFAOYSA-N 407.425 6.746 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 4906780 BZQQIHYFKWQZGQ-KPKJPENVSA-N 408.288 6.189 0 40 HKAB CC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1c1cccs1 5022523 BNUUKLIOWBJNLM-JOCHJYFZSA-N 412.518 5.298 0 40 HKAB O=C1c2ccccc2C[C@@H]1Sc1nnc(-c2cccs2)c(-c2cccs2)n1 5059571 ZQEHVLVJSJXDPE-INIZCTEOSA-N 407.545 5.228 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)C[C@H](C)CC4)cc1 5214462 DDMVUGFGNZXGMM-MRXNPFEDSA-N 405.519 5.820 0 40 HKAB Cc1c(CCC(=O)NCc2ccccc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 5235698 ZNRRLXWQNUHHCP-UHFFFAOYSA-N 417.505 5.394 0 40 HKAB Cc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2cccc(C)c2)cc1 5454664 BDFQFGUAPJOBLV-UHFFFAOYSA-N 411.534 5.720 0 40 HKAB Cc1oc2cc(OCC(=O)NCCC3=CCCCC3)ccc2c(=O)c1-c1ccccc1 5497917 OWJADPIPLOEIFO-UHFFFAOYSA-N 417.505 5.154 0 40 HKAB biogenic COc1cc(N[C@H](C)CCCN)c2ncccc2c1Sc1ccc(Cl)cc1 5551270 ASBAZZCYURIEJD-CQSZACIVSA-N 401.963 5.587 0 40 HKAB O=C(Nc1cccc2ccccc12)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6147276 ZUKIICUGENUGBQ-UHFFFAOYSA-N 420.465 5.032 0 40 HKAB Cc1csc(N(C(=O)[C@H](Sc2ccccc2)c2ccccc2)c2ccccc2)n1 6609983 YUCVFYLIIBJQPF-JOCHJYFZSA-N 416.571 6.650 0 40 HKAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCC[C@H]1c1nc2ccccc2s1 7989549 FPYCMEZZLWUEMC-FQEVSTJZSA-N 402.519 5.853 0 40 HKAB C[C@H](NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nnc2n1CCCCC2 8946068 CPLJZDYTJYKGHE-LBPRGKRZSA-N 419.312 5.062 0 40 HKAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3Cl)c3ccccc3)cc2c1 9307032 QRPCKDHQZOMSNU-UHFFFAOYSA-N 418.880 5.037 0 40 HKAB Cc1ccc(SCCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 9630146 IHYMQMJEVOBMRH-UHFFFAOYSA-N 409.938 6.000 0 40 HKAB Cc1ccc(-n2ncc3c(Nc4ccc(Oc5ccccc5)cc4)ncnc32)cc1C 10253631 KHGMPCUWINVTOT-UHFFFAOYSA-N 407.477 5.968 0 40 HKAB CCc1ccc(NCCC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 12413408 HQYRZEHECGXXMR-UHFFFAOYSA-N 422.550 5.043 0 40 HKAB FC(F)(F)c1nc(Nc2ccc(-n3cnc4ccccc43)nc2)c2ccccc2n1 12522573 RSQOLNZJSQXQAH-UHFFFAOYSA-N 406.371 5.126 0 40 HKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccnn1Cc1ccccc1Cl 12795701 JAGQWIFVEHICBY-UHFFFAOYSA-N 408.914 5.269 0 40 HKAB O=C(Cc1ccc(NC(=O)c2cccc3ccccc23)cc1)NCc1cccs1 13716710 YVOLGEUMINXVAI-UHFFFAOYSA-N 400.503 5.013 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=O)CSCc2c(Cl)cccc2Cl)c1 14411078 KPCNVEHANHLYPV-UHFFFAOYSA-N 418.729 5.305 0 40 HKAB Clc1cc2c(c(CN3CCCC[C@@H]3c3nc4ccccc4s3)c1)OCOC2 16046964 GWYZNPCVFPLKMO-GOSISDBHSA-N 400.931 5.543 0 40 HKAB Clc1ccc(Nc2nc(N3CCCCC3)nc3c2cnn3-c2ccccc2)cc1 17200387 LCQSNGKDZFHQBV-UHFFFAOYSA-N 404.905 5.203 0 40 HKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(Oc2ccccc2)cc1 22245325 OPFDAMGYAKWPLA-UHFFFAOYSA-N 415.518 6.264 0 40 HKAB Cc1ccc(C(=O)C2CCN(C(=O)c3sc(-c4cccs4)nc3C)CC2)c(C)c1 24454646 MHAPZVTYWYRHDF-UHFFFAOYSA-N 424.591 5.532 0 40 HKAB Cc1cccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)c1C 27664542 DOOPKWSASHHIHM-JOCHJYFZSA-N 414.977 5.069 0 40 HKAB CC(C)n1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1cc2ccccc2o1 28211374 WZQZMJLQGYEIDB-DOTOQJQBSA-N 412.559 5.059 0 40 HKAB CC(C)(C)N1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)SC1=S 35039260 BETAKDKHTKPTFF-LDADJPATSA-N 417.983 5.919 0 40 HKAB Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3cc(C)ccc3C)n2)c1 46012082 XVIKJLHQPBBUQK-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB O=C(c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12)C(F)(F)F 59109423 HBODXQPOTZLNHT-UHFFFAOYSA-N 416.624 5.851 0 40 HKAB CN(C)C(=O)c1ccc2oc(-c3cc(Cl)c(Br)c(Cl)c3)nc2c1 59843007 GCQGPSARAMECFP-UHFFFAOYSA-N 414.086 5.266 0 40 HKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 59960844 FITADJSPLLHJET-HNNXBMFYSA-N 410.926 5.712 0 40 HKAB FC(F)(F)c1cccc(-c2noc(Cc3nnc(-c4ccc(Cl)cc4)o3)n2)c1 67246232 SXXDCRXGLIJINY-UHFFFAOYSA-N 406.751 5.050 0 40 HKAB COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(-c4ccccc4F)n3)C2)cc1 72349345 MVZUEXAUNMPPGL-FQEVSTJZSA-N 418.512 5.235 0 40 HKAB COc1ccccc1[C@]1(O)C[C@@H](c2ccc(C)cc2)N[C@H](c2ccc(C)cc2)[C@@H]1C 101659426 VXHVUKKYMOSWJM-YJYUAFMYSA-N 401.550 5.612 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)cc2CNC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 102356041 RXODGJWYOKEIJW-GREBRCKQSA-N 416.594 5.000 0 40 HKAB COc1ccc(/C=C2/N=C(SC(C)C)N(c3ccc(OC(F)F)cc3)C2=O)cc1 104389072 YPQDAIFQMGIDLI-LDADJPATSA-N 418.465 5.182 0 40 HKAB CC(C)c1ccc2oc(-c3cc(N)cc(-c4nc5cc(C(C)C)ccc5o4)c3)nc2c1 216880563 KTENFUIYBNNXMW-UHFFFAOYSA-N 411.505 7.132 0 40 HKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccccc1Cl 222681703 ZUYDDECYDNIYHU-MRXNPFEDSA-N 403.975 5.036 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)c1 224297493 DLHQNYYSWCPYJZ-BJKOFHAPSA-N 418.610 5.875 0 40 HKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1c(F)cccc1Cl 224942182 HBJZSMBZRACOMD-HNNXBMFYSA-N 421.965 5.175 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)c1 225499848 BRBSHPGLYYUPBG-SFHVURJKSA-N 420.962 5.209 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C(=O)OCC 225680110 YYDYEHNETBMNIH-UHFFFAOYSA-N 423.553 5.801 0 40 HKAB CCOC(=O)c1cc(NC(=S)NCCCc2ccc(C(C)C)cc2)ccc1Cl 225807343 BVYGDIXJVROGCR-UHFFFAOYSA-N 418.990 5.559 0 40 HKAB COc1ccc(C)cc1NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225832208 XMBZYSUYIPLPKP-UHFFFAOYSA-N 413.477 5.292 0 40 HKAB S=C(Nc1ccc(Br)cc1)NC1(CCc2ccccc2)CCCC1 225846428 PIJHFUQAXDUUPY-UHFFFAOYSA-N 403.389 5.681 0 40 HKAB CCOc1ccccc1NC(=S)NC1(CCc2ccccc2Cl)CCCC1 225848157 QLWQYGCRWICTKS-UHFFFAOYSA-N 402.991 5.971 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2C(C)C)c1 225883080 SMTHBQUFIVEFGG-JCMHNJIXSA-N 404.535 5.590 0 40 HKAB CC(C)COc1ccc(CC(=O)O)cc1-c1cc(-c2ccccc2)n(CC(C)C)n1 257323605 WLBIJPAIXHSITN-UHFFFAOYSA-N 406.526 5.535 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccc(C)cc2C)cc1 408695027 OFHSBDSYFNHPRT-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(Cl)cc2)C1=O 408800092 KJNSRCQVHRGALU-CABAHIPWSA-N 411.978 6.394 0 40 HKAB Clc1ccc(CSc2nnc(COc3ccc4c(c3)CCCC4)o2)c(Cl)c1 409005857 GRJATJZKTGWLGQ-UHFFFAOYSA-N 421.349 6.127 0 40 HKAB Cc1s/c(=N\C(=O)c2ccccc2Cl)n(C)c1-c1ccc(Br)cc1 409194301 AHOQQPYQPQGIFE-UZYVYHOESA-N 421.747 5.219 0 40 HKAB CC(C)=CCC[C@]1(C)Oc2cc(-c3cccc(C(=O)O)c3)ccc2[C@@H]2OCCC[C@H]21 585265875 UOYULHPOXQERDK-CWDLOFLHSA-N 406.522 6.417 0 40 HKAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1ccc(Br)cc1 953681 PJPTUKUNHOXFFI-UHFFFAOYSA-N 415.287 5.316 0 40 HKAB COc1ccc(NC(=S)Oc2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1 1052251 HTBVKWIUYLFPJS-UHFFFAOYSA-N 406.507 5.340 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl 1167527 LSACCEDUWBPNAS-VBEHJTROSA-N 419.308 5.264 0 40 HKAB COc1ccc([C@H]2NCCc3c2[nH]c2ccccc32)cc1COc1ccccc1F 1322781 XLCLUPYUHIBXRE-XMMPIXPASA-N 402.469 5.130 0 40 HKAB biogenic Cc1ccc(CS(=O)(=O)c2ccccc2-c2nnc(-c3ccc(Cl)cc3)o2)cc1 1400942 IMBUHFIEMQTQCO-UHFFFAOYSA-N 424.909 5.339 0 40 HKAB aggregator O=C(Nc1cccc(C(F)(F)F)c1)Oc1ccc(Cl)cc1C(=O)c1ccccc1 1560963 ZECMKOCKTAXCJE-UHFFFAOYSA-N 419.786 6.201 0 40 HKAB CCN(CC)CCOC(=O)[C@@H]1[C@@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 1699499 KBRRUVKSKDQSOP-FTJBHMTQSA-N 413.561 5.271 0 40 HKAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(CC(C)C)cc2)nc2ccccc12 2088673 HGFPXJHCZPZTDG-UHFFFAOYSA-N 424.544 6.670 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H](Sc1ccccc1)c1ccccc1 2742253 ADAIDLFPVAZZHO-RUZDIDTESA-N 411.526 6.951 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](NC1CCCCC1)c1ccccc1 3352780 KBAVGWYKFOUHMU-LJQANCHMSA-N 410.867 5.961 0 40 HKAB CCC(C)(C)NC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1ccc(C)cc1 3397554 RVHXYBOXAYCAHC-UHFFFAOYSA-N 412.537 5.623 0 40 HKAB COc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2Br)n1 3655857 RQNWLVPPBRPMAX-UHFFFAOYSA-N 408.255 5.237 0 40 HKAB CC(C)(C)SCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4024372 QAUWKRBHRKSCQO-BWNQIZJUSA-N 418.643 5.350 0 40 HKAB biogenic Cc1c(C(c2ccc3c(c2)OCO3)c2c(C)n(C)c3ccccc23)c2ccccc2n1C 4162664 BXFZRGSRPBMGBN-UHFFFAOYSA-N 422.528 6.196 0 40 HKAB COc1cc([C@@H]2O[C@H]3CCCC[C@H]3c3sccc32)ccc1OCc1ccccc1 4784301 HKUBQVLWDXNOTL-IZIIKQMZSA-N 406.547 6.482 0 40 HKAB CSc1nnc2c(n1)O[C@H]([C@H]1CCC(CCC=C(C)C)=C[C@H]1C)Nc1ccccc1-2 5044064 OWVUXVZIIPHBLW-TVTNDZMWSA-N 422.598 6.110 0 40 HKAB Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C23CC4CC(CC(C4)C2)C3)cc1 5165480 AFSRVQYCWPSEQV-AHRSHGDUSA-N 416.565 5.257 0 40 HKAB CCC(=O)c1c(-c2ccc(C)cc2)c2c3n(c(-c4ccc(Cl)cc4)cn13)CCCC2 5499606 KAWUJMNGISYSQG-UHFFFAOYSA-N 416.952 6.966 0 40 HKAB Cc1cccc(C)c1N[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 5659683 PDYNTFRPPQFXAL-OAQYLSRUSA-N 414.958 5.089 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)c1 5698249 SJRAISVFJWGEQU-NVXWUHKLSA-N 404.392 5.006 0 40 HKAB O=C1OC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2c1ccc1ccccc21 5813388 LKKCVYQQCACLJG-UHFFFAOYSA-N 405.280 6.609 0 40 HKAB Cc1cc(C)cc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 6386737 ZTUYIUCMTCMLPZ-JOCHJYFZSA-N 406.913 5.457 0 40 HKAB CC(C)CCNc1nc(Nc2cccc(Cl)c2)c2cnn(-c3ccccc3)c2n1 7452132 JMOZGAGERJRYFX-UHFFFAOYSA-N 406.921 5.671 0 40 HKAB CC(C)Oc1ccccc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)O 7603239 OZXHJTSCMCRPSN-BOPFTXTBSA-N 416.886 5.395 0 40 HKAB COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 8535323 RUBCWVDXPLJGLJ-MRXNPFEDSA-N 416.348 6.432 0 40 HKAB CCc1ccc(NC(=O)c2nc(SCc3ccccc3F)ncc2Cl)cc1 8917604 GQQRJJRDFQMQHF-UHFFFAOYSA-N 401.894 5.376 0 40 HKAB Cc1ccc(C(=O)Nc2noc(-c3ccc(C)cc3)c2-c2ccc(Cl)cc2)cc1 9607547 RPTADMAPVAIMBU-UHFFFAOYSA-N 402.881 6.531 0 40 HKAB CCOc1ccc(CC(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)cc1 10749262 FJXSSIOPGHFEFG-UHFFFAOYSA-N 408.479 5.145 0 40 HKAB Clc1ccc2c(c1)C(c1cccs1)=NNC(c1ccc(Br)cc1)=N2 12497578 HLUAJBGCZYMTSK-UHFFFAOYSA-N 416.731 5.598 0 40 HKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccccc3C(F)(F)F)ccc21 12565843 ACYHRKRMCPVMPW-UHFFFAOYSA-N 418.440 5.634 0 40 HKAB COc1ccc(-c2csc(NC(=O)CCCc3c[nH]c4ccccc34)n2)cc1OC 12576825 VQXMJNPJEPWFHS-UHFFFAOYSA-N 421.522 5.270 0 40 HKAB O=C(O)/C=C/c1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1 12916656 ATYANUYOQUTYMQ-DTQAZKPQSA-N 403.503 5.246 0 40 HKAB CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2cccc3ccccc23)cc1 13030877 FRIKOFACCYBNAI-JOCHJYFZSA-N 418.584 7.588 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 14153321 SYMALONHXZUTMG-XMMPIXPASA-N 420.534 5.177 0 40 HKAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccc4Cl)ccc3c2C)cc1 15729382 XPJPYIPGJYDRBV-UHFFFAOYSA-N 419.864 5.887 0 40 HKAB biogenic Cc1ccc(Cl)cc1N/C=C1/C(=O)N(c2cccc(Cl)c2)C(=O)c2ccccc21 18037689 ZPHGWNMSMLOXBV-DEDYPNTBSA-N 423.299 5.942 0 40 HKAB CCOc1ccc(CNc2ccc([C@H]3c4ccsc4CCN3C(C)=O)cc2)cc1 19533414 QGQVSPHEHJZFJC-DEOSSOPVSA-N 406.551 5.253 0 40 HKAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1 20140311 XREAEDOQKJJVCP-UHFFFAOYSA-N 420.248 5.521 0 40 HKAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)COc1ccc(C2CCCCC2)cc1 20144910 FOPXDQOGKGRLBA-UHFFFAOYSA-N 417.889 5.112 0 40 HKAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)cc2)CC1 20451566 AXUFSGUJXHJCNZ-UHFFFAOYSA-N 421.766 5.587 0 40 HKAB CCC(=O)Nc1nc2ccc(NC(=O)COc3ccc([C@@H](C)CC)cc3)cc2s1 21595626 CWIOPQNCJSPZHQ-AWEZNQCLSA-N 411.527 5.176 0 40 HKAB O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N1CCCc2ccccc21 23235606 JKLAUOTYHYKRGB-UHFFFAOYSA-N 417.456 5.427 0 40 HKAB COCc1c(C(=O)Nc2nc3ccc(OC)cc3s2)sc2cccc(F)c12 24761264 WOPGIJIJRDOGON-UHFFFAOYSA-N 402.472 5.057 0 40 HKAB Cc1cc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N(C)C)c(C)c2cc1C 28289707 SBZIUGMNDVAUPG-JOCHJYFZSA-N 406.570 5.688 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 32755180 IYIOWCKSKCKFRP-QGZVFWFLSA-N 406.507 5.031 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1 33862442 ZSALJSAJYBLQJW-UHFFFAOYSA-N 401.963 5.020 0 40 HKAB C[C@@H](Oc1nc2ccccc2nc1/C=C\c1ccc(Cl)cc1Cl)c1ccccc1 36092284 JLZWOMHNRYVKDX-OBEJXRGXSA-N 421.327 7.247 0 40 HKAB O=c1cc(-c2ccccc2)nc2n(Cc3c(F)cccc3Cl)c3ccccc3n12 40484767 NPVLBLANUYGMJC-UHFFFAOYSA-N 403.844 5.157 0 40 HKAB Brc1ccc(-c2cnc(SC3CCCC3)n2Cc2ccccc2)cc1 44085476 LLSGMRPBOKFAAT-UHFFFAOYSA-N 413.384 6.396 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1Oc1ccccc1 44884697 WDPMTMRWYSZTTC-UHFFFAOYSA-N 418.345 6.658 0 40 HKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)c3ccccc3)cc2)C1 44915927 WYAROWJYFCXZCH-FQEVSTJZSA-N 412.533 5.402 0 40 HKAB CC(C)(C)c1ccc(C2=NC3(CCCCC3)N(C(=O)c3ccccc3)C2=S)cc1 45932675 OUDUFHDQHDELPA-UHFFFAOYSA-N 404.579 5.917 0 40 HKAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)Cc2nc3ccccc3s2)cc1 49649909 FLVGRLMJZOAAQD-QHCPKHFHSA-N 401.535 5.417 0 40 HKAB CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(C(F)(F)F)cc1)NC2 55028120 GEUWHJBCIBWOJZ-JOCHJYFZSA-N 416.443 5.486 0 40 HKAB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1cccc(-c2ccsc2)c1 58313955 MEARKMYZZBABAJ-SFHVURJKSA-N 414.939 5.510 0 40 HKAB Cc1cc(SCC(=O)Nc2cc(Cl)ccc2C)nc(-c2ccc(F)cc2)n1 67257162 QKTUKOLXZPZWAA-UHFFFAOYSA-N 401.894 5.284 0 40 HKAB CCc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(C)cn2)c1 67295161 UTMUMNPNKFLFCX-PNHLSOANSA-N 417.896 5.837 0 40 HKAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CCCN(C(=O)C(C)C)C2)n1 72353832 WRIMNOWYNNDACK-LJQANCHMSA-N 404.476 5.362 0 40 HKAB Cc1cc2oc(=O)cc(-c3cc4c(CN5CCCCCC5)cnc(C)c4o3)c2cc1C 95480407 ZCPDLONOGCANMK-UHFFFAOYSA-N 416.521 5.902 0 40 HKAB N=c1c2c(ncn1Cc1ccccc1)Oc1ccc3ccccc3c1[C@@H]2c1ccccc1 101151208 ZBLKNQLSZJKDKI-DEOSSOPVSA-N 415.496 5.850 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c(C)c1 218990036 VCDCNXCPEHMWSH-UHFFFAOYSA-N 423.896 5.656 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)N1CCS[C@H](c2ccc3c(c2)OCO3)CC1 219245371 HWXUEILRJJOWAB-SFHVURJKSA-N 424.444 5.146 0 40 HKAB CC[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(C)c(C)c1 219847105 VBKSDTRHNAFUCA-XMMPIXPASA-N 407.941 6.417 0 40 HKAB Cc1c([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n(-c2cccc(Cl)c2)c1C 222726326 LDUKCDACFQKMOF-LEWJYISDSA-N 410.974 5.053 0 40 HKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C(C)C 223380385 IJXLFLXSQVIMAQ-XZOQPEGZSA-N 404.583 5.254 0 40 HKAB CN(Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc2ccccc2c1 223738506 PZWKRFNPDITDES-UHFFFAOYSA-N 403.503 5.453 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccc(C)c(C)c1 224620305 CNFRANBRFFWJHV-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB O=C(NCc1ccccc1CN1CCCCC1)c1ccccc1OCc1ccccc1 224831748 IEULROJWKCIAGV-UHFFFAOYSA-N 414.549 5.182 0 40 HKAB COc1cccc(-c2cnc(CCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)c1 224846696 DCNLHIYJEXCEST-UHFFFAOYSA-N 424.806 5.594 0 40 HKAB Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 224859312 UKDMQADRSHYFHY-SJORKVTESA-N 422.362 5.333 0 40 HKAB O=C(O)[C@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(-c2ccccc2)cc1 225109905 AXIATKOFSVNGMN-SANMLTNESA-N 410.469 6.221 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2ccccc12 225685713 YSEQWZQWQNNITK-UHFFFAOYSA-N 407.941 6.733 0 40 HKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1cccc(Cl)c1Cl 225828359 YTOBPHGVEHCQEC-UHFFFAOYSA-N 412.276 5.768 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCC)c(C(=O)OCC)c1 225848099 BBJNEYNDCWQZRR-DEOSSOPVSA-N 421.578 5.746 0 40 HKAB CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 253611323 YCOLBMWLTJDGRP-NEPKKPNDSA-N 416.348 6.467 0 40 HKAB C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@@H]2N(c2ccccc2)c2ccccc2)[C@@H]1C 257173010 AANXUIWCACPJNG-VFOOCMBXSA-N 414.593 6.688 0 40 HKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(F)c(F)c2)C1 257314680 UYAPVGZDKALTEG-VWPQPMDRSA-N 423.887 5.122 0 40 HKAB CCOc1cc(C(=O)OCC(=O)c2ccccc2)ccc1OCc1ccc(C)cc1 408552236 IHQAZDDNSUTWFL-UHFFFAOYSA-N 404.462 5.012 0 40 HKAB CCOc1cc(C(=S)NCc2cccc(OC)c2)ccc1OCc1ccccc1 408578191 WPVVAYXSVYIBEL-UHFFFAOYSA-N 407.535 5.138 0 40 HKAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccc(C(C)(C)CC)cc2)CC1=O 408665188 OODALVHYZAMYRI-FQEVSTJZSA-N 407.554 5.458 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2cc(Cl)ccc2C)c1 408697988 KSICBOKAJRRSOW-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)c2ccccc21 409117180 QMLVNPFKTYKQIW-UYRXBGFRSA-N 407.872 5.965 0 40 HKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccccc21 409119042 VOVCZNFNYLEYBG-KQWNVCNZSA-N 403.909 6.216 0 40 HKAB CCOc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(OCC)c2)cc1 409121199 XAJICGHZVNTXKW-UHFFFAOYSA-N 411.929 6.329 0 40 HKAB Cc1ccc(OCc2nn(CC(=O)Nc3ccc(Cl)cc3Cl)c(=S)o2)cc1 409168496 LQEFUJLFEJGEQG-UHFFFAOYSA-N 424.309 5.039 0 40 HKAB CC(C)[C@@H]1C[C@H](c2cccc(Cl)c2)CO[C@H]1c1cccc(OCC(=O)N(C)C)c1 585291826 DSOUYJVDBSEAAR-APTRMMRNSA-N 415.961 5.324 0 40 HKAB CSc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 667218 TZSZPDUKEKYHNK-JOCHJYFZSA-N 424.547 5.028 0 40 HKAB Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)c1nc3ccccc3nc1O2 984211 FVSNTWRRDXQNPO-UHFFFAOYSA-N 423.881 5.224 0 40 HKAB CC(=O)c1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1 1175561 ZMYBHOVMBHJISF-SAPNQHFASA-N 421.500 5.702 0 40 HKAB COc1cc2nc(SCc3ccc(C(C)(C)C)cc3)n3nc(C)nc3c2cc1OC 1396382 HZMXRPNURHYTJP-UHFFFAOYSA-N 422.554 5.193 0 40 HKAB O=C(Nc1cccc(Cl)c1)Nc1cccc(OC(=O)Nc2cccc(Cl)c2)c1 1627365 RDDFTCJWGADNSS-UHFFFAOYSA-N 416.264 6.248 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ccc(OCc2ccccc2)cc1 1718881 LOKATTXGDDYDJB-UHFFFAOYSA-N 424.500 6.489 0 40 HKAB O=C(c1ccccc1)[C@@H]1[C@H](C(=O)c2ccccc2)[C@H](c2ccccc2)[C@H]1c1ccccc1 1722454 WCTIPYXJFUKGBD-HPQIJTKRSA-N 416.520 6.566 0 40 HKAB Cc1sc(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(C(=O)OC(C)C)c1C 2081346 FAWSRLCWPXOHBF-SOFGYWHQSA-N 412.338 5.889 0 40 HKAB CCCCCOc1ccccc1[C@@H]1Nc2ccccc2-c2nnc(SCC)nc2O1 2085974 AFPMOVRXMZYZFO-OAQYLSRUSA-N 422.554 5.723 0 40 HKAB Cn1c(NC(=O)c2ccc(Cl)cc2Cl)c(-c2ccccc2)c(=O)c2ccccc21 2242214 NHCZIPVILWEPTO-UHFFFAOYSA-N 423.299 5.765 0 40 HKAB O=C1CCCC[C@@H]1[C@H](Nc1ccccc1I)c1ccccc1F 2270266 SPVGWJWUNDFZNC-IFXJQAMLSA-N 423.269 5.343 0 40 HKAB CCCCc1ccc2nc(NC(=O)COc3cccc4c3OC(C)(C)C4)sc2c1 2658651 BRIVSSTVUZTGEQ-UHFFFAOYSA-N 410.539 5.370 0 40 HKAB CCOc1ccc2c(c1)c1nnc(-c3ccccc3)c-1cn2Cc1cccc(OC)c1 2688301 CMMUGMXZBUGJSL-UHFFFAOYSA-N 409.489 5.659 0 40 HKAB COc1ccc(-c2nnc3c4cc(F)ccc4n(Cc4ccccc4F)cc2-3)cc1 2689783 KKMFDMVSXPPIKK-UHFFFAOYSA-N 401.416 5.538 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1 2972314 DYRHGVSELDWQAJ-UHFFFAOYSA-N 417.534 6.098 0 40 HKAB O=C(N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl 3106842 HEEWLFGIMHSXCF-AWEZNQCLSA-N 412.531 5.532 0 40 HKAB CC(C)(C)c1ccc(-c2n(-c3ccccn3)c3ccccc3[n+]2-c2ccccn2)cc1 3172094 GLONXGXZSXKWIW-UHFFFAOYSA-N 405.525 5.662 0 40 HKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3F)n2CC(C)C)c1 3222590 JBNSMDUTDXUYJA-UHFFFAOYSA-N 412.534 5.088 0 40 HKAB CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3ccccc3)c2C1 3246875 GORJXFLTGDQJAJ-GOSISDBHSA-N 401.506 5.426 0 40 HKAB O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2cccc(Br)c2)cs1 3456144 FLXDQAIKRZNLTK-UHFFFAOYSA-N 407.720 5.407 0 40 HKAB Clc1ccc(-c2nc3ncccc3n2OCc2ccccc2Cl)c(Cl)c1 4024885 AYOVKZSYAFGASJ-UHFFFAOYSA-N 404.684 5.687 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C12CC3CC(CC(C3)C1)C2 4147108 VUBIHBWSZVNGPR-UHFFFAOYSA-N 414.574 6.632 0 40 HKAB Cc1cc(C)c(OCC(=O)Nc2ccc3c4c(cccc24)CC3)c(Br)c1 4672123 YBUABPLXUZGVLO-UHFFFAOYSA-N 410.311 5.335 0 40 HKAB CC1CCN(C(=O)/C(=C\c2ccccc2)NC(=O)c2ccc(Cl)cc2Cl)CC1 4696994 YMLBVSRYHUWBBJ-DEDYPNTBSA-N 417.336 5.023 0 40 HKAB Cc1ccc(Nc2c(-c3cccc(Br)c3)nc3ccc(Cl)cn23)cc1 4735118 PWZIZRKLURNIKC-UHFFFAOYSA-N 412.718 6.469 0 40 HKAB CCCCN(CCCC)C[C@@H](CN(CC)CC)N(CC)C(=O)Nc1ccccc1 4778078 JUAKBZVJVLEKKL-HSZRJFAPSA-N 404.643 5.153 0 40 HKAB CCc1cccc(CC)c1NC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1 4953257 YUACSUTZVLPNLZ-UHFFFAOYSA-N 410.521 5.376 0 40 HKAB CCOC(=O)[C@](CCC(=O)O)(CCC(C)C)c1csc(Cc2ccc(C)cc2)n1 5022657 VWDGEKUYMAYVPY-QHCPKHFHSA-N 417.571 5.144 0 40 HKAB CC(C)(C)OC(=O)CCSC(c1ccccc1)(c1ccccc1)c1ccccc1 5119210 ZDBVFOQVCOQLKQ-UHFFFAOYSA-N 404.575 6.444 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(F)c2)cc1OC 5188706 NQQMUZMKDHPNJE-GBXCKJPGSA-N 404.441 5.085 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OC)cc4)c3)nc2c1 5476344 LHFOUUKWWDXZEA-MRXNPFEDSA-N 400.478 6.269 0 40 HKAB CCc1ccc(C(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 5808914 XNAJCNLJJFVLMP-UHFFFAOYSA-N 401.487 5.565 0 40 HKAB Cc1cc(OCC(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc(C)c1Cl 6747533 VBMPRIFAIJMBNL-UHFFFAOYSA-N 401.865 5.297 0 40 HKAB CCOc1ccc([C@@H](C)NC(c2ccc(F)cc2)c2ccc(F)cc2)cc1OCC 7982486 HSMKIQDTRUEWAS-QGZVFWFLSA-N 411.492 6.202 0 40 HKAB Cc1cc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc(-c2nc3ncccc3o2)c1O 8902329 LDNHIVRWIWHTBD-UHFFFAOYSA-N 417.509 5.449 0 40 HKAB Cc1cccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccc(Cl)cc2)c1 9281316 DZAFRGFQFFRSNQ-UHFFFAOYSA-N 402.881 5.337 0 40 HKAB Cc1c(Cl)ccc2sc(N3CCN(C(=O)c4cccc5ccccc45)CC3)nc12 9345717 ZRZLEMLVDVVWIC-UHFFFAOYSA-N 421.953 5.374 0 40 HKAB Cc1ccc(SCC(=O)N(Cc2cccnc2)c2nc3ccc(F)cc3s2)cc1 9545588 FBGSVBDNQSZBQB-UHFFFAOYSA-N 423.538 5.464 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)cc(=O)c3c2)c1 9660191 PFTZPGVIABDQFB-UHFFFAOYSA-N 415.445 5.038 0 40 HKAB biogenic C[C@@H](Sc1nnc([C@@H](C)N2CCCCC2)n1-c1ccc(F)cc1)c1ccccc1 12516907 BNTDVMCMQKLYCH-QZTJIDSGSA-N 410.562 5.807 0 40 HKAB CCCCNC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 13686791 LFHWLPYTPRCBTF-UHFFFAOYSA-N 417.534 6.051 0 40 HKAB CCCCCOc1ccccc1C(=O)Nc1ccc(OCCc2ccccc2)cc1 14668976 KLANWBJFZSXRPA-UHFFFAOYSA-N 403.522 6.129 0 40 HKAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 17091764 ATNASCDXIPDSDS-UHFFFAOYSA-N 419.309 5.146 0 40 HKAB Cc1ccccc1C(=O)N[C@@H](c1ccccn1)C1CCN(CC2CCCCC2)CC1 19236856 SREJZNZGEBTPSY-RUZDIDTESA-N 405.586 5.153 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2C(C)C)sc2c1CCCC2 20041536 FWQVKYWMBYOJEN-OAHLLOKOSA-N 415.555 5.333 0 40 HKAB Cc1cc(SCc2ccccc2Cl)nc(SCc2ccccc2Cl)n1 20120542 ZVRRBXWAFWWLDT-UHFFFAOYSA-N 407.391 6.676 0 40 HKAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)CSc1ccccc1 20610990 XWNRUSXGXDOHFF-UHFFFAOYSA-N 408.914 5.113 0 40 HKAB CN(Cc1nc2ccccc2s1)C(=O)Cc1csc(-c2ccccc2Cl)n1 21937179 BSIOEPGIKZKYBP-UHFFFAOYSA-N 413.955 5.274 0 40 HKAB COc1cccc(-c2nc(C(=O)Nc3cc(Cl)cc(Cl)c3)cs2)c1OC 23074456 DTPAFSIQFHDHDN-UHFFFAOYSA-N 409.294 5.386 0 40 HKAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](c1ccccc1)c1cccs1 25058644 PNIVZLQVOSOHKS-OAQYLSRUSA-N 400.931 5.036 0 40 HKAB CC(C)CC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1 33000575 UVVWSLHWPJQLLJ-UHFFFAOYSA-N 417.531 5.151 0 40 HKAB COc1cc(/C=C2\SC(=S)N=C2O)ccc1OCc1c(F)cccc1Cl 33314218 SFUSUXWTKWNKKX-PXNMLYILSA-N 409.891 5.396 0 40 HKAB O=C(Nc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 33648439 VLOXKCMNJNZULN-UHFFFAOYSA-N 400.261 5.603 0 40 HKAB Cc1ccc(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1 33749133 TZYIXTUBXSBVHL-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)c3ccccc3F)c(Cl)nc12 35312140 VGHOMQMJDBHWQX-UHFFFAOYSA-N 418.899 6.178 0 40 HKAB COc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C)cc(OC)c1OC 35324716 BALGXDDTYADEIU-UHFFFAOYSA-N 401.846 5.187 0 40 HKAB O=C(NCc1cccc2ccccc12)Nc1ccccc1NC(=O)c1ccccc1F 36709625 QPYFAFLSSDDOGL-UHFFFAOYSA-N 413.452 5.553 0 40 HKAB O=C(CSc1ccccc1Cl)N1CCc2sccc2[C@@H]1c1cccs1 39996903 ZRCWBVDDSKLELR-LJQANCHMSA-N 405.997 5.729 0 40 HKAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1ccccc1SCc1cscn1 40112951 PSDQLHQQJCLVDY-AWEZNQCLSA-N 402.972 5.450 0 40 HKAB O=C1CSC2=N[C@@H]3/C(=C\c4ccc(F)cc4)CCC[C@@H]3[C@@H](c3ccc(F)cc3)N12 51329844 AWAGYABBBLERKY-XRDOFBCLSA-N 410.489 5.203 0 40 HKAB C[C@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1nc(C(C)(C)C)no1 69351032 PHKJGBDEHLYKEW-NSHDSACASA-N 407.301 6.034 0 40 HKAB COc1cccc(OC)c1C(=O)N1CCCCC[C@H]1c1cc(-c2cccs2)on1 72338401 GPZSZLHQLYFFHR-INIZCTEOSA-N 412.511 5.178 0 40 HKAB Cc1cc(C[C@@H]2CCC[C@H]2N(Cc2ccncc2)Cc2c(C)nn(C(C)C)c2C)on1 72395090 BAPXOMNZXOCMIH-WIOPSUGQSA-N 421.589 5.186 0 40 HKAB Brc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 101072008 CHAUUGRGHLDLMQ-TZIWHRDSSA-N 404.311 5.945 0 40 HKAB O=C(NCc1ccncc1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 101283094 JSCCSZCZIMJDCI-ZBCVKJESSA-N 409.533 5.308 0 40 HKAB CC[C@H](C)c1ccc([C@H](CC)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 102630043 ZSUHTMILDZBVAM-VPKVUBIPSA-N 401.978 6.505 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@H]2c2ccc(F)cc2)cc1 105335515 ZNMDYRBJLIGPMV-VAVDPEAGSA-N 421.556 5.857 0 40 HKAB biogenic,in-vitro CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 118927669 CGHGJNRXRSZLJH-LATCXDJJSA-N 414.674 7.729 0 40 HKAB CC(C)COc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 170492738 BKQXQRQRUVQLFJ-UHFFFAOYSA-N 402.519 6.250 0 40 HKAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccccc1F 195528911 TYKDNJRHRFRXDI-KADGEZPXSA-N 404.462 5.898 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2c(C)cccc2Cl)cc1OC 216096577 AYPXAFSTPTWURG-UHFFFAOYSA-N 412.711 5.461 0 40 HKAB CC(C)(C)N(Cc1ccccc1)C(=O)c1cccc(OCc2ccccc2Cl)c1 216573032 XZTIMEYMZKMYOK-UHFFFAOYSA-N 407.941 6.360 0 40 HKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(OCC)cc2)o1 222892905 BTDQJLGTEBHLSS-FGZHOGPDSA-N 407.539 5.123 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 222915230 MGBKGXCNPOHBDA-GOSISDBHSA-N 413.867 6.452 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1 223953799 ZLTINVUYDLDBCP-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224175999 JODBUPGDYZABAC-GOTSBHOMSA-N 414.509 5.189 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1C 224285042 ODOHBCMRRSEEHT-LOSJGSFVSA-N 424.573 5.666 0 40 HKAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccccc1C(C)(C)C 224513674 QGJXQRSRYSUCEO-UHFFFAOYSA-N 409.570 5.834 0 40 HKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 225092400 NSWDPQGUBIPIAZ-VWLOTQADSA-N 420.597 5.102 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225501056 BUUTZXUALNFCLJ-HSZRJFAPSA-N 412.599 6.090 0 40 HKAB Cc1cccc([C@@H](NC(=S)Nc2cccc(Br)c2)c2ccccc2)c1 225698039 QKYDKKIKKFGHMG-FQEVSTJZSA-N 411.368 5.834 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c1 225700393 HIPAFMAOCOFESO-HSZRJFAPSA-N 418.562 5.556 0 40 HKAB CC(C)c1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cc1 225843857 CBYZQDHVBDWHMN-UHFFFAOYSA-N 401.019 6.695 0 40 HKAB C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@H]3[C@H](O)C=C4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C 253476141 BQMSKLCEWBSPPY-XABZALOQSA-N 418.662 5.474 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253497785 LZHRRGGNNXYJOT-SJEALXMNSA-N 402.663 6.360 0 40 HKAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2)[C@@H]1c1cccs1 257173507 PFWYGNHLVNLMTL-YADHBBJMSA-N 404.535 5.324 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2cccc(Cl)c2)c1 408695016 OAWOMMNPDHYTTD-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(Cl)cc2Cl)nc1-c1ccccc1 408695069 ONLDLHQRNAXAKL-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(OCC(C)C)cc2)S1 408802996 KDJPYRTWIBYIJA-UHFFFAOYSA-N 417.938 5.146 0 40 HKAB Cc1ccc(-c2nn(CC(=O)Nc3nc(-c4ccccc4)c(C)s3)c(=S)o2)cc1 409172288 BTOYKKRZVIJNPO-UHFFFAOYSA-N 422.535 5.252 0 40 HKAB CSCC[C@@H](NC(=O)CC1(Cn2cccc2)CCCCC1)c1nc2ccccc2[nH]1 526052516 KTMFYZORWUCUDO-OAQYLSRUSA-N 424.614 5.316 0 40 HKAB Cc1ccsc1[C@@H](CO)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 538888956 YEXREXXRLLJRLA-GOSISDBHSA-N 405.441 5.206 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c1 919482 JNTLIYWVNRAPOU-YOEHRIQHSA-N 404.392 5.006 0 40 HKAB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)c3ccc(F)cc3)c2C)cc1 993094 PULHBOVDZOPAMQ-UHFFFAOYSA-N 413.448 5.697 0 40 HKAB Cc1c(/N=c2\scc(-c3ccccc3)n2C(C)(C)C)c(=O)n(-c2ccccc2)n1C 1811954 SHUFCMDRWVPUMS-BZZOAKBMSA-N 418.566 5.002 0 40 HKAB C[C@]12C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]1C2(c1ccccc1)c1ccccc1 2177531 GCWGEOBAZDSDOX-NFBKMPQASA-N 421.418 5.201 0 40 HKAB COc1ccc(Cn2cc3c(-c4ccc(C)c(C)c4)nnc-3c3cc(OC)ccc32)cc1 2690137 KPMHGCSMAMUCEP-UHFFFAOYSA-N 423.516 5.885 0 40 HKAB O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1ccccc1-c1ccccc1 3283862 ZBIVMTRPECWHSK-UHFFFAOYSA-N 415.367 5.048 0 40 HKAB Nc1c(C(=O)c2cccs2)sc2nc(C3CC3)cc(-c3ccc(Cl)cc3)c12 3647608 WONJIIOKSVSDEM-UHFFFAOYSA-N 410.951 6.369 0 40 HKAB CC(C)(C)c1ccc(C2=Nc3ccccc3N=C(c3cc(Cl)ccc3O)C2)cc1 4427604 YOKSSMWXILABMI-UHFFFAOYSA-N 402.925 6.988 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NC(=O)CCc3ccccc3)c2)c1 4659892 JQXHXHYTEWKLIO-UHFFFAOYSA-N 406.913 5.780 0 40 HKAB CC[C@H](C(=O)Nc1ccc(C)c(NC(=O)[C@@H](CC)c2ccccc2)c1)c1ccccc1 4666595 QRIUWSHTVRUFSA-ZEQRLZLVSA-N 414.549 6.260 0 40 HKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(C)cc3Cl)sc2c1 4776876 LVJJRFSHFREOBO-UHFFFAOYSA-N 417.987 5.728 0 40 HKAB CCCCCCC1CCC(C(=O)N[C@@H](C(=O)NCCc2ccccc2)C(C)C)CC1 4872860 OJUSNQXWHZFEHJ-KXTRFFEISA-N 414.634 5.263 0 40 HKAB O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)N(c1ccccc1)c1ccccc1 5001903 HFPOPADTYLPSCM-UHFFFAOYSA-N 417.900 5.216 0 40 HKAB Cc1nc(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)n(C2CCCC2)c1C 5090186 XDBXYTKVQJVROZ-LJQANCHMSA-N 419.594 6.401 0 40 HKAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1ccc(Oc3ccccc3)cc1)CC2 5388776 XIXPBHJUVWDYDK-QGZVFWFLSA-N 403.478 5.256 0 40 HKAB Cc1ccc(C2=NN(C(=S)NCc3ccccc3)[C@@H](c3ccccc3F)C2)cc1 5603752 FCTFNTIHOKQOKB-HSZRJFAPSA-N 403.526 5.360 0 40 HKAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1 5631902 APXAFXYHFIVPFU-BKUYFWCQSA-N 402.475 5.035 0 40 HKAB Cc1[nH]c2ccccc2c1C(c1ccc(Cl)c(Cl)c1)c1c(C)[nH]c2ccccc12 5881634 LQZQJHRVODWREY-UHFFFAOYSA-N 419.355 7.753 0 40 HKAB COc1ccccc1N1CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 5931333 COSPFQJJMXDURN-UHFFFAOYSA-N 419.550 5.007 0 40 HKAB COc1cccc(-c2nc(C(=O)NCCc3ccccc3)cc3c2[nH]c2ccccc23)c1 5932590 VOHCTVFBPNOTNN-UHFFFAOYSA-N 421.500 5.364 0 40 HKAB biogenic CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1 6263177 XZXZJHPZLPIPFL-BJMVGYQFSA-N 415.971 5.600 0 40 HKAB O=C(O)CC/C(=C\c1ccccc1OCc1ccccc1)c1nc2ccccc2s1 6429750 NEOJYFAYHUFTQZ-CAPFRKAQSA-N 415.514 6.281 0 40 HKAB Cc1csc(N(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)c2ccccc2)n1 6609985 YUCVFYLIIBJQPF-QFIPXVFZSA-N 416.571 6.650 0 40 HKAB Cc1ccc(CN[C@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)cc1 6825891 HQSTXBSMJGTQRO-OAQYLSRUSA-N 407.876 5.717 0 40 HKAB CN(C)C(=O)[C@H](Sc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1 6843076 LVLWQIVXAWYJAY-LJQANCHMSA-N 405.548 5.280 0 40 HKAB O=C(CSc1ccc2ccccc2n1)N1CCC[C@H](c2nc3ccccc3s2)C1 7199779 HZYIILGPMPILHU-KRWDZBQOSA-N 419.575 5.343 0 40 HKAB C[C@@H]1CCc2c(sc3nc(-c4ccc(-n5ccnc5)cc4)cc(-c4ccco4)c23)C1 7942679 DEIMMJBVNLCYLA-MRXNPFEDSA-N 411.530 6.534 0 40 HKAB CC1CCN(c2ccc(NC(=O)c3ccccc3SC[C@@H]3CCCO3)cc2)CC1 8156421 ZWGWAQRHCRXJRJ-NRFANRHFSA-N 410.583 5.446 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1 8335543 QCFUFZDUOFCKDV-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB Clc1ccc(N2N=C(c3ccc(Br)cc3)C[C@H]2c2cccs2)cc1 8397975 WHBHAKRPAHRKIC-SFHVURJKSA-N 417.759 6.520 0 40 HKAB O=C(Nc1ccc(F)c(F)c1)c1cn(Cc2ccccc2)nc1OCc1ccccc1 9100496 HLDKVUFNNGOBEZ-UHFFFAOYSA-N 419.431 5.041 0 40 HKAB CCCCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(C)cc2)n(C)c2ccccc12 9355484 JWGVYZIVELXXPV-MHZLTWQESA-N 408.545 6.499 0 40 HKAB CC1CCN(c2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3ccc(F)cc23)CC1 12437893 DLGDHWIZTYQVKE-UHFFFAOYSA-N 418.921 5.096 0 40 HKAB COc1ccc(C(=O)C2CCN([C@H](C)c3nc4ccccc4n3C(F)F)CC2)cc1 12548091 OCVWWAIQWUGJDS-OAHLLOKOSA-N 413.468 5.096 0 40 HKAB Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(-c3nc4ccccc4[nH]3)cc12 12583794 HPHRDRZGRWQBPQ-UHFFFAOYSA-N 401.473 5.939 0 40 HKAB C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)c1cccc(Cl)c1 13112219 ABGJMRIOEYKMHC-MRVPVSSYSA-N 420.243 5.418 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 13631126 NJXRSJXINLNHOI-QGZVFWFLSA-N 422.912 5.317 0 40 HKAB Fc1cc(F)c([C@H]2SCCN2C(=S)Nc2cccc(C(F)(F)F)c2)c(F)c1 13865096 CLVLFDRKMMENFL-OAHLLOKOSA-N 422.419 5.567 0 40 HKAB CSc1ccc(CN(C)C(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1 14282701 YMGOATGLUKVBRO-UHFFFAOYSA-N 421.497 5.331 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1 15883281 GLDKKTCFJZYZPB-UHFFFAOYSA-N 420.818 5.130 0 40 HKAB Cc1cccc(-c2cc(-c3cccc(C)c3)n(-c3nc(-c4ccccc4)cs3)n2)c1 17087766 ZTIIETZGGNHUKE-UHFFFAOYSA-N 407.542 6.947 0 40 HKAB Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 17088725 WGEGTJARMYSYJY-UHFFFAOYSA-N 410.926 5.354 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 17090805 HOVOLNDGWIDIIC-UHFFFAOYSA-N 416.546 6.413 0 40 HKAB COc1ccc(-c2[nH]c3ncccc3c2CN(C)[C@@H](C)c2ccc(OC)cc2)cc1 19458722 PTNJDUAQPBGEBW-KRWDZBQOSA-N 401.510 5.440 0 40 HKAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2CC2CCCCC2)nc1C 19755612 CZEZOZUHSHKRJK-QFIPXVFZSA-N 422.573 5.153 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1OCC 20453386 BINSNWYRCHXREE-YCRPNKLZSA-N 421.990 5.886 0 40 HKAB COC(=O)c1c(-c2cccs2)csc1NC(=O)COc1ccccc1C(C)C 21785470 SWBAWPCDRJQGJP-UHFFFAOYSA-N 415.536 5.404 0 40 HKAB O=C(CCc1nnc(-c2ccsc2)o1)N(Cc1cccs1)Cc1cccs1 24469036 GUKNSISQFDAHKS-UHFFFAOYSA-N 415.565 5.083 0 40 HKAB O=C(CCN1CCC(C(=O)c2ccccc2)CC1)Nc1ccccc1-c1ccccc1 25946899 YGQFXLCWAZLILP-UHFFFAOYSA-N 412.533 5.277 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 44900053 IYJRJEDDLIAPHD-SVBPBHIXSA-N 409.529 6.211 0 40 HKAB C[C@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(F)cc1 44934169 FTFIHCMGVHOQQW-AWEZNQCLSA-N 409.332 5.222 0 40 HKAB CC(C)OCCCN1COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2C1 54313681 QYWIRKROMFVHBU-UHFFFAOYSA-N 413.901 5.080 0 40 HKAB biogenic CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 72215004 MBQYIFKVTRPWOF-QHCPKHFHSA-N 423.601 6.350 0 40 HKAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 72356078 FAHLCLSWRBAJLF-NRFANRHFSA-N 405.929 5.049 0 40 HKAB O=C(O)c1ccc2c(c1)C1(CCCCC1)CN2C(=O)c1ccc(-c2ccccc2)cc1 96156877 JGNIECVALOTZBT-UHFFFAOYSA-N 411.501 5.914 0 40 HKAB Cc1ccc(C)c(N2C(=O)[C@H]3[C@@H](c4ccccc4)C=C[C@@H](c4ccccc4)[C@@H]3C2=O)c1 100050347 NEZLLAPYDIROPG-AYEHBTSNSA-N 407.513 5.546 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@@H](C)OC(C)=O)CC[C@@H]32)C1 123186636 VDZDKQBSTYNFGG-ISEMJJQPSA-N 404.591 5.529 0 40 HKAB C[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc2c(c1)CCCC2 222943969 SJGKCSXSWWSERD-IBGZPJMESA-N 401.575 6.349 0 40 HKAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(Br)cc2Cl)cc1C 223451559 UTSAWTCMJRBLLT-CQSZACIVSA-N 410.739 5.284 0 40 HKAB Fc1ccc(CNC(=S)Nc2ccc(Sc3ccc(Cl)cc3)nc2)cc1 223948474 VBRFATQEDIYXFZ-UHFFFAOYSA-N 403.935 5.512 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 224214808 UZDYNFOCDDCMID-DNQXCXABSA-N 411.530 5.827 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccccc1C 224380265 RMWBQTZDFYDPFR-GOSISDBHSA-N 407.485 5.603 0 40 HKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 224439783 MEBSDPPCWTXPGJ-GOTSBHOMSA-N 414.509 5.189 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1CSc1ccc(C)cc1 224661299 CKDCJMJCZBMHDO-UHFFFAOYSA-N 419.590 6.809 0 40 HKAB Cc1cccc(CSCCCNC(=S)Nc2ccc(Br)c(C)c2)c1 225603556 VAWMSQWMFBYDKJ-UHFFFAOYSA-N 423.445 5.676 0 40 HKAB CCOC(=O)c1cccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1C 225675175 MTMFLCXYHQHFPI-IBGZPJMESA-N 412.555 5.069 0 40 HKAB O=C(Cc1cccc(Cl)c1)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C12CCCCC2 257296816 REMVWBYMLWKFEU-LADGPHEKSA-N 423.000 5.176 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CSc2ccccc2)cc1 408790245 OGIDSHWKLAXVGH-UHFFFAOYSA-N 411.526 7.024 0 40 HKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 409051941 FGTLXYUNGJUPDP-STZFKDTASA-N 411.523 5.419 0 40 HKAB O=C1S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ccccc1Cl 409057352 KXEQAONQSAOTTA-STZFKDTASA-N 421.905 6.160 0 40 HKAB COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 409094137 CEVWWKUPBHTHCZ-UHFFFAOYSA-N 421.953 5.812 0 40 HKAB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc12 409180916 UUWCPEXDLYYFLF-UHFFFAOYSA-N 417.936 7.083 0 40 HKAB O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1cccc(Cl)c1Cl 409391563 JSWJCKFQECJWSY-UHFFFAOYSA-N 402.306 5.754 0 40 HKAB Cc1cccnc1CN1CCC[C@H]1c1csc(NC(=O)c2cccc(Cl)c2)n1 585272710 MLLWGQXKEMAEKK-IBGZPJMESA-N 412.946 5.089 0 40 HKAB Cc1nn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1Br 685937270 FPADWPDHGMIHER-UHFFFAOYSA-N 401.148 5.348 0 40 HKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cccc(C(F)(F)F)c1 862994 OIGJQPAHYMYPDE-UHFFFAOYSA-N 413.808 5.140 0 40 HKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)c1 924518 BKUSGKFNZPADLS-UHFFFAOYSA-N 421.570 5.193 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)NC3CCCCC3)cc2c1 1224606 CONKHWFGMPEZML-UHFFFAOYSA-N 417.553 5.135 0 40 HKAB COc1ccccc1-c1c(C)oc2cc(OCc3ccccc3Cl)ccc2c1=O 1322179 PWUFZKKKHWMSAX-UHFFFAOYSA-N 406.865 6.009 0 40 HKAB biogenic CCc1ccccc1OCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 1799746 RRSJXMKLKQBSAK-UHFFFAOYSA-N 418.924 5.748 0 40 HKAB COc1ccc([C@]2(c3ccccc3F)C=Cc3c(ccc4cc(OC)ccc34)O2)cc1 2055039 WKYMAEGRRCJZRP-MHZLTWQESA-N 412.460 6.346 0 40 HKAB Cc1cc2oc(=O)c(Cc3ccccc3)c(C)c2c2occ(-c3ccc(Cl)cc3)c12 2126602 RHAQHVKIKCGALA-UHFFFAOYSA-N 414.888 7.067 0 40 HKAB biogenic CCC(=O)N(CC[C@H](c1ccc(C)cc1)c1ccco1)Cc1ccc(OC)c(OC)c1 2139687 FPUYZPNIHMHRCD-JOCHJYFZSA-N 421.537 5.566 0 40 HKAB biogenic CCCSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCC1)Cc1ccccc1-2 2272670 JUXHOVAPOUUBQB-UHFFFAOYSA-N 402.563 5.770 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)c1 2366877 KUWZDARHMBFMOA-UHFFFAOYSA-N 401.466 5.339 0 40 HKAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)C1 2647679 NOUWZYOGXPGLGH-ROUUACIJSA-N 406.551 5.605 0 40 HKAB CCCCOc1ccc([C@@H](CC(=O)c2ccc(C)cc2)Nc2ccc(CC)cc2)cc1 3100905 JWXDAHDRCISVQQ-HHHXNRCGSA-N 415.577 7.163 0 40 HKAB COC(=O)c1ccc(COC(=O)CSc2ccc(Cl)c(Cl)c2Cl)cc1 3232995 MCHYINPVVHHMKT-UHFFFAOYSA-N 419.713 5.269 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1ccc2c(c1)OCCO2)c1ccccc1 3297484 LCLKZFFKDBCNSY-DEOSSOPVSA-N 401.487 5.655 0 40 HKAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1-c1ccccc1 3334364 MUGQFNDMWDZYLT-UHFFFAOYSA-N 407.469 5.816 0 40 HKAB COc1ccc(CCSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)cc1 3442669 TVDIRDGLTUIXON-UHFFFAOYSA-N 401.535 5.586 0 40 HKAB Cc1ccccc1CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(F)cc1 4106618 LYXXYHKSHZYZQX-UHFFFAOYSA-N 415.493 5.607 0 40 HKAB COc1ccc([C@H]2c3c(c4ccccc4oc3=O)Nc3ccc4ccccc4c32)cc1 4116372 KSXJIFMTLCFDTP-HSZRJFAPSA-N 405.453 6.192 0 40 HKAB Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1cccc(OCc2ccccc2)c1 4678675 VRTRREGNNUYUHY-UHFFFAOYSA-N 413.477 5.007 0 40 HKAB COC(=O)c1c(NC(=O)/C(=C/c2ccco2)c2ccccc2)sc2c1CCCC2 4698650 RFSVQYRSDIGCOB-NBVRZTHBSA-N 407.491 5.186 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)cc1 5420591 NAEZHIXLCWVBDQ-UHFFFAOYSA-N 402.494 5.679 0 40 HKAB O=C(c1ccccc1Cl)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 5446617 PWLRFSGCYPTTSM-JINLKSKQSA-N 406.869 5.963 0 40 HKAB Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3F)c3ccccc32)c(C)c1 6255715 AEDSEHQFUDBTGT-UHFFFAOYSA-N 400.453 5.267 0 40 HKAB COc1ccc2c(CC(=O)N(CCc3ccccc3)Cc3cccs3)coc2c1 8036708 XTEYKQGCCIBTEM-UHFFFAOYSA-N 405.519 5.317 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c(OC)c1 8072112 NNIMEXOMNBOCRH-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB Cc1ccn2cc(-c3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3)nc2n1 9572094 HLMJKZLXPIBOLO-UHFFFAOYSA-N 404.473 5.624 0 40 HKAB COc1ccccc1-c1nnc(SCc2csc(C)n2)n1CCc1ccccc1 9953152 BLRQCFUVXGRMSP-UHFFFAOYSA-N 422.579 5.254 0 40 HKAB Cc1coc2cc3oc(=O)c(CCC(=O)NCCc4ccc(Cl)cc4)c(C)c3cc12 11867410 RYVHNRLAYRNZAW-UHFFFAOYSA-N 423.896 5.101 0 40 HKAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C1 12565015 RPWAHBOOVKWPNM-QZTJIDSGSA-N 405.567 5.340 0 40 HKAB CC(=O)N(c1nc(COc2c(Cl)cccc2Cl)cs1)c1ccccc1F 12854791 NROCMCQMWWVFEQ-UHFFFAOYSA-N 411.285 5.853 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)COc4ccc(C)c(C)c4)c3)oc2c1 13946188 YYPKESIBMAYPNZ-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1C 14405234 XYIVKCGEDCSSTE-UHFFFAOYSA-N 404.514 5.113 0 40 HKAB Cc1cc(OCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc(C)c1Cl 16269436 MLGSCUAZJJICCC-UHFFFAOYSA-N 422.937 6.251 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Br)cn3)o2)cc1Cl 16346693 XRHPBICWLGVLSJ-RMKNXTFCSA-N 417.690 5.718 0 40 HKAB Clc1ccc2c(c1)N=c1c(Cl)c3c(c(Cl)c1O2)=Nc1cc(Cl)ccc1O3 16431146 PVPBMJGZJGBHPL-UHFFFAOYSA-N 424.070 6.414 0 40 HKAB Brc1ccccc1C1N(Cc2ccccc2)CCCN1Cc1ccccc1 19324975 ZTOPKTBUFIIPSN-UHFFFAOYSA-N 421.382 5.856 0 40 HKAB c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCN3Cc3ccncc3)n2)cc1 19373262 LNXUFXGYOZWGBA-HSZRJFAPSA-N 408.509 5.014 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 20110850 KLNNLKUPTSZIDT-UHFFFAOYSA-N 406.507 5.068 0 40 HKAB COc1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1-c1ccc(CO)o1 20139531 QWIVOWRZDFDVEQ-UHFFFAOYSA-N 413.882 5.568 0 40 HKAB CCCCc1ccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 30938201 PAXFDBWEDQARKP-GOSISDBHSA-N 419.396 6.187 0 40 HKAB CCc1ccc(C(=O)C[C@H](Nc2ccccc2)c2ccc(Br)cc2)cc1 32117628 GPJHYFTWMBONOS-QFIPXVFZSA-N 408.339 6.438 0 40 HKAB Cc1c(-c2ccccc2)oc2c(C(=O)N(C)Cc3ccc(Cl)s3)cccc2c1=O 32502829 VADZKNWUMSLGGW-UHFFFAOYSA-N 423.921 5.756 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 32891684 LWLKMSVOXAPOHA-UHFFFAOYSA-N 423.900 5.780 0 40 HKAB COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OC 32895197 SITXDMZZVZWNQS-RDTXWAMCSA-N 405.947 5.202 0 40 HKAB CN(C(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1)c1ccc2ccccc2c1 40129948 BATXNWDPMJJRLC-UHFFFAOYSA-N 415.514 5.090 0 40 HKAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1[nH]c2ccccc2c1Cl 40144465 LYJBVBHNDWNPAC-UHFFFAOYSA-N 405.889 5.059 0 40 HKAB CCc1nn2c(ncc3c(=O)n([C@H]4CCCC[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40397455 PLRBERMZJFQLQR-YWZLYKJASA-N 420.944 5.678 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)N[C@H](CC(C)C)c3ccccc3)cc2)cc1 44903276 DCOYMGDBNSFRSO-RUZDIDTESA-N 403.591 6.805 0 40 HKAB Brc1ccccc1-c1nnc(CN(Cc2ccco2)C2CCCC2)o1 48286888 ZNMPOGFWJXPCJQ-UHFFFAOYSA-N 402.292 5.037 0 40 HKAB O=C(CCNc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc2ccccc2oc1=O 49947114 FWRCWMGDQYHWCM-UHFFFAOYSA-N 419.864 5.924 0 40 HKAB biogenic,in-vitro CCCCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2ccsc2c1=O 57426442 NOIPSBYTBOELQA-UHFFFAOYSA-N 415.584 5.112 0 40 HKAB Fc1ccc(CNc2nnc(SCc3cc(Cl)nc(Cl)c3)s2)cc1 58377729 MHSJDLOGJWJOES-UHFFFAOYSA-N 401.319 5.283 0 40 HKAB CC[C@@H](C)Sc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)c(C(F)(F)F)c1 60306311 DGCZRGONMPISTH-CQSZACIVSA-N 419.472 6.034 0 40 HKAB Cc1nc2c(-c3ccccc3)c(Cc3ccccc3)nn2c(O)c1Cc1ccccc1 95483437 GODSEEYEBQQOBU-UHFFFAOYSA-N 405.501 5.592 0 40 HKAB O=S(=O)(Cc1coc(-c2cccs2)n1)c1ccc(Cl)c(C(F)(F)F)c1 95953225 TWOKIMDSTDYZCA-UHFFFAOYSA-N 407.822 5.049 0 40 HKAB Brc1ccc(C2=C[C@H](c3cccc4ccccc34)n3ncnc3N2)cc1 102565286 RUSULFUVYQINRB-HXUWFJFHSA-N 403.283 5.250 0 40 HKAB CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccc(Cl)c1 102647949 ACUWQDOEVFIFMD-HSZRJFAPSA-N 422.956 6.789 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2)o1 102725861 BBRYTIVGOYQKPL-RXVVDRJESA-N 409.283 5.593 0 40 HKAB CCCOc1c(Br)cc(CNc2ccc(Cl)c(Cl)c2)cc1OC 106993757 SSWLEUOMZSOBFV-UHFFFAOYSA-N 419.146 6.165 0 40 HKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 223135255 XKCFMZMPYQYKND-JOCHJYFZSA-N 422.613 5.385 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1cccc(C)c1 224110528 YKEKSPBUGXCFIY-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB Cc1ccc(OCCNC(=O)c2ccc(CSc3ccccc3)cc2)cc1Cl 224118777 GSJMAFYNYPXHCX-UHFFFAOYSA-N 411.954 5.750 0 40 HKAB S=C(NCCSc1ccc(Cl)cc1)Nc1cccc(Br)c1 225287634 OPDFBISAZBTREA-UHFFFAOYSA-N 401.782 5.181 0 40 HKAB C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)C4=CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 253505116 QCVKYDNFSXDPSW-IMAIIGTQSA-N 414.630 5.714 0 40 HKAB biogenic,in-vitro CC[C@H]1O[C@@H]2c3cc(C(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1cccc(Cl)c1 257267123 MGAXRHAXIMJNKI-WQZMEWCLSA-N 400.902 5.849 0 40 HKAB C[C@H](CCN1CCC[C@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 257299481 RQGPYPBCJMDQSU-CTNGQTDRSA-N 409.574 5.110 0 40 HKAB S=C(NCc1ccco1)c1cc(Br)ccc1OCc1ccccc1 408577878 VFPHDNFEJGEBIP-UHFFFAOYSA-N 402.313 5.086 0 40 HKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2Cl)cc1 408679356 WDNXRSIWIJTVEB-UHFFFAOYSA-N 418.880 5.480 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccccc2)c1 408697993 KTVMVZMBNIXRER-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(C)c(-c2nc(Nc3ccc(Cl)cc3Cl)sc2CC(=O)O)c1 408879405 GAMGLHYEGINPRA-UHFFFAOYSA-N 407.322 6.104 0 40 HKAB COc1ccc2c(Cl)c(C(=O)Nc3c(Cl)cccc3Cl)sc2c1Cl 408970486 AEANDKHLTJXBAH-UHFFFAOYSA-N 421.132 6.776 0 40 HKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)c(OCC)c2)c2ccccc21 409112933 MMKHZDDKYJTDFN-QJOMJCCJSA-N 413.517 5.962 0 40 HKAB CCCc1sc2nc(SCc3ccc(C)cc3)n(-c3ccccc3)c(=O)c2c1C 409116556 JKLHWRVCRJYLPH-UHFFFAOYSA-N 420.603 6.309 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c(C)c1 409120928 USMIJOMIMCWYOE-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB CCCc1cnc(Nc2cccc([C@H]3CCCN(C(=O)C4CCCCC4)C3)n2)s1 2037836163 RLEHRKWITQQKJR-SFHVURJKSA-N 412.603 5.521 0 40 HKAB Cc1ccc(-n2nc3ccc(NC(=O)c4cc5ccccc5o4)cc3n2)cc1Cl 677406 BKYWTITVOOQXFJ-UHFFFAOYSA-N 402.841 5.381 0 40 HKAB CCOC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cc(Cl)c(Cl)cc2Cl)c1 682555 FMVOFBGAOCPMBB-SNVBAGLBSA-N 416.688 5.230 0 40 HKAB CC[C@H]1CCCCN1C(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 901406 FCIYDVYBYIQMOH-LBPRGKRZSA-N 415.506 5.107 0 40 HKAB Cc1nc(C[S@](=O)c2ccc(Cl)cc2)cc(SCc2ccc(Cl)cc2)n1 1392252 ZIDVKOSMBXYMJD-AREMUKBSSA-N 423.390 5.692 0 40 HKAB CCCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(C)cc(C)cc23)cc1 1774762 QWNRFCYXYGCNDE-UHFFFAOYSA-N 420.509 5.729 0 40 HKAB Cc1ccc(OCC(=O)N(C2CCCCC2)C2CCCCC2)c(Br)c1 1891932 ZPUQJRQUCNCXFK-UHFFFAOYSA-N 408.380 5.630 0 40 HKAB O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)OC1CCCCC1 1935815 HEQCJVPSBHORAI-UHFFFAOYSA-N 418.971 5.980 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CCCCCC2 2083695 VCEPCUYBPUZOGH-UHFFFAOYSA-N 407.535 5.989 0 40 HKAB O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccccc1Br 2343782 QJPRRGPNXPJCES-UHFFFAOYSA-N 400.272 5.092 0 40 HKAB O=C(Nc1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C(F)(F)F)cc1 3116601 PGNCFLIPTLZUEH-UHFFFAOYSA-N 421.871 6.903 0 40 HKAB CN(C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C1CCCCC1 3205890 PGVMNNWZNBVWKC-JOCHJYFZSA-N 422.396 5.725 0 40 HKAB O=C(CSc1ccc(Br)cc1)N1CCC(Cc2ccccc2)CC1 3226413 CGOUGTQKKSEYTR-UHFFFAOYSA-N 404.373 5.023 0 40 HKAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 3339393 JOWREKRJVPNNOZ-SANMLTNESA-N 406.485 6.133 0 40 HKAB Cc1c(Cl)cccc1N(Cc1cccc2ccccc12)c1nc2ccccc2s1 3351725 NHZSWLYNRTUMPO-UHFFFAOYSA-N 414.961 7.750 0 40 HKAB CC(C)(C)c1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1 4130362 WTTDCPKUIUVURU-UHFFFAOYSA-N 404.539 5.571 0 40 HKAB CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 4309618 UYJMAOUZBPZVAZ-ZCYQVOJMSA-N 400.478 5.336 0 40 HKAB Cc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=N3)cc1 4716053 ROHLEPAAHCAKJO-JWQCQUIFSA-N 406.489 5.108 0 40 HKAB O=C(Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2 4844237 TVWIOAMVEUAKHV-UHFFFAOYSA-N 410.521 5.361 0 40 HKAB CC(=O)O[C@H]1CCc2c(ccc3c2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CC[C@H](C)C(C)C)C1 4916998 KREGYMYHIDTTHK-CGSRURIWSA-N 424.669 7.262 0 40 HKAB CCc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(OC)cc23)cc1 4970252 UKOIODJRBJTKFS-UHFFFAOYSA-N 407.517 6.429 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2cccc(Cl)c2)o1 5170551 NBKCGKKKSHOFNQ-ZIAGYGMSSA-N 415.946 6.023 0 40 HKAB CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC 5513630 LMODBLQHQHXPEI-UHFFFAOYSA-N 422.795 6.785 0 40 HKAB S=C1NC2=C(CCC/C2=C\c2ccccc2Cl)[C@H](c2ccccc2Cl)N1 5583237 UIQCYTITLDJBFE-PKHIPVCBSA-N 401.362 6.034 0 40 HKAB CCSc1nc2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)cc2s1 5953858 VEVXRCXMUPMTCV-LBPRGKRZSA-N 406.960 5.776 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)c3ccccc3n2)cc1 7060173 IRKMZGXDFQNMSC-UHFFFAOYSA-N 423.299 6.470 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnc(NC2CC2)s1)c1ccccc1 7577562 IQKZYSSYRKGJPU-LJQANCHMSA-N 406.536 5.310 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 8590419 IRFIYWKNNGLRGK-UHFFFAOYSA-N 419.864 5.643 0 40 HKAB O=C(c1ccc(OCc2cscn2)cc1)N1CCC[C@H]1c1nc2ccccc2s1 9256464 DKQGLZZPGHXVKH-IBGZPJMESA-N 421.547 5.309 0 40 HKAB O=C(Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12)c1ccc2ccccc2c1 9413952 BBXBFPFDXWUNFZ-UHFFFAOYSA-N 424.431 6.230 0 40 HKAB Cc1ccc(Nc2nc(CSc3nnc(-c4cccnc4)n3C3CC3)cs2)cc1 12543241 JKDGBLIVRFVRNR-UHFFFAOYSA-N 420.567 5.476 0 40 HKAB O=C(CCc1nc(-c2ccccc2)no1)N1CCCC[C@@H]1c1nc2ccccc2s1 12766126 GGEJGSNKTZKCQZ-GOSISDBHSA-N 418.522 5.033 0 40 HKAB CCn1c(SCc2ccc(C(=O)O)cc2)nnc1-c1ccc(Cl)cc1Cl 13355367 UARDPKFLQBTFTM-UHFFFAOYSA-N 408.310 5.262 0 40 HKAB O=C1C[C@H](c2cccs2)c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N1 13518344 NVUBZKXTFUWRQS-QGZVFWFLSA-N 405.910 5.728 0 40 HKAB O=C1OC(c2ccccc2F)=N/C1=C\c1ccccc1OCc1ccc(Cl)cc1 13928147 LYMWBKFXJLDTEV-MOSHPQCFSA-N 407.828 5.403 0 40 HKAB O=C(Cc1c(F)cccc1Cl)N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1 14185220 NRSJVYYNRWENBU-OAQYLSRUSA-N 419.830 5.529 0 40 HKAB Cc1cc2oc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)c(C)c2cc1C 15833209 VNNYZPRKWSHRLL-UHFFFAOYSA-N 404.535 5.988 0 40 HKAB Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)n(-c2nc3ccccc3s2)n1 16851061 PXOXMXVDXHWWME-UHFFFAOYSA-N 403.294 5.350 0 40 HKAB CCc1ccc(-c2nc(Nc3ccc(Cl)cc3Cl)sc2CC(=O)O)cc1 19894587 LRZDJFDERYNUKK-UHFFFAOYSA-N 407.322 6.050 0 40 HKAB Cc1ccccc1[C@@H]1CC(=O)c2c(C)nc(Nc3nc(C)c4ccccc4n3)nc2C1 20634884 FHEJUJIEIRGYPS-KRWDZBQOSA-N 409.493 5.001 0 40 HKAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1ccc(Cl)cc1 21787302 LPHGDNRJZRQGJG-NRFANRHFSA-N 411.933 5.232 0 40 HKAB CC(C)C[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccccc1 22518648 BSJBFJOENZSAHH-RUZDIDTESA-N 419.590 6.375 0 40 HKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C)cc1 44935763 WYARVXSLYMVORB-QFIPXVFZSA-N 419.396 5.781 0 40 HKAB Cc1ccc(Cn2c(SCc3ccc(F)c(F)c3)nc3ccccc3c2=O)cc1 67259478 WROIFMZYROAJCR-UHFFFAOYSA-N 408.473 5.324 0 40 HKAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1Cc1ccccc1 72214764 CVSROGPRUMEGQE-QFIPXVFZSA-N 409.574 5.960 0 40 HKAB Cc1cccc(Nc2cccc([C@H]3CCCN3Cc3c(C)nc4c(C)cccn34)n2)n1 72375785 OLVCIHXRVOKHSX-OAQYLSRUSA-N 412.541 5.130 0 40 HKAB CCOc1ccc(N(C(=O)[C@@H]2CSCCS2)c2nc3ccccc3s2)cc1 78239566 FCBHUDADDPHSJL-SFHVURJKSA-N 416.593 5.208 0 40 HKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2C3=C(CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=CC3)C(C)C 87493030 ODKQKCINTCFCGY-VOSAXSBLSA-N 412.702 8.089 0 40 HKAB biogenic O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 103718729 GLVWCOGYNGWGDO-JTQLQIEISA-N 417.214 5.004 0 40 HKAB CC1=C[C@@H]2C=C[C@H]1[C@@H]1[C@@H]2[C@@H]2[C@@H]1[C@@]1(C)C(=O)[C@@]2(C)C(c2ccccc2)=C1c1ccccc1 104289339 WHPKYFFPEMEUCT-FBERTBHPSA-N 404.553 6.447 0 40 HKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 106683347 GPCWXDHVCRQDRW-UYRXBGFRSA-N 401.915 5.755 0 40 HKAB O=C1S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N1Cc1ccccc1F 106696324 QFEZFVGRGXFYNX-PDGQHHTCSA-N 411.479 5.806 0 40 HKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC 106708079 CKHURNBPFOUNLD-STZFKDTASA-N 411.523 5.419 0 40 HKAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(/C=C\c5ccccc5)=CC[C@H]4[C@@H]3CC[C@@H]2C1 118915016 FLDVEKQSXXBPDV-DXHUAGJKSA-N 418.621 7.211 0 40 HKAB O=C(CSc1nc(Nc2ccc(F)cc2)c2ccccc2n1)NC1CCCCC1 139967737 ZZQJENAXMCHSLB-UHFFFAOYSA-N 410.518 5.054 0 40 HKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O 214150734 ZLGUFPDEIZGIIG-ONDHQXCVSA-N 401.915 5.754 0 40 HKAB CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1cccc2ccccc12 219337517 QXTIZXIDGGVWLH-QHCPKHFHSA-N 405.538 5.535 0 40 HKAB CC[Si](CC)(CC)N(c1cc(C(=O)O)cc(C(=O)O)c1)[Si](CC)(CC)CC 219789553 AAJQILAGEFROGN-UHFFFAOYSA-N 409.675 5.900 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3c(C)c(C)n(-c4ccccc4)c3C)N21 222719662 TVYFWNIRNJPJQE-VEXUSMLFSA-N 416.594 5.777 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1Cc1ccccc1 223403960 PDJVMFCZFHAOQS-GOTSBHOMSA-N 402.567 5.171 0 40 HKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC(C)(C)CC(C)(C)C)ccc1C 223940162 YZCZOQZVMCGXNR-UHFFFAOYSA-N 416.587 5.049 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccc(Cl)c(C)c1 224205609 XSBPGKHMYOWYHF-UHFFFAOYSA-N 417.839 5.767 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1CSc1ccccc1 224652604 VAFQCPXBKCHGEJ-UHFFFAOYSA-N 415.917 6.422 0 40 HKAB COc1ccc(Nc2nc(/C=C3/SCCN3C(=O)C3CCCCC3)cs2)cc1 225251951 UHISRGFQBXDODQ-CPNJWEJPSA-N 415.584 5.349 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCSCc1ccc(Cl)cc1 225323544 CABMEOOQCASCGP-UHFFFAOYSA-N 402.774 5.629 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)NCCSCc1ccc(Cl)cc1 225657118 PWVONMGEXUOYOF-UHFFFAOYSA-N 418.386 5.415 0 40 HKAB COc1ccc(C2(NC(=S)Nc3cccc(C(F)(F)F)c3)CCCC2)cc1OC 225849455 KUOIGLHEFXDFSV-UHFFFAOYSA-N 424.488 5.479 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)c1C 408696745 BOWUDWXRIKFAIL-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CCOc1cc(-c2nc(O)c3c(C)c(C)sc3n2)ccc1OCc1ccc(F)cc1 408735800 XXBFRMIAJSGIDU-UHFFFAOYSA-N 424.497 5.798 0 40 HKAB O=C1N/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1c1ccc(Cl)cc1 409166918 HKUPVJRZZVYRKR-KGENOOAVSA-N 404.853 5.016 0 40 HKAB CCCCn1c(C)c2c(c1C)C=CC(=C/C=C/C1=[N+](C)c3ccccc3C1(C)C)C=C2 685944475 QFMCOZRFRHUKIU-UHFFFAOYSA-N 411.613 7.134 0 40 HKAB CCc1ccc(Oc2c(C(F)(F)F)oc3cc(OC(C)=O)c(CC)cc3c2=O)cc1 853004 RKBVPQHWQYNKQA-UHFFFAOYSA-N 420.383 5.654 0 40 HKAB O=C(c1cccc(F)c1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2)cs1 932788 JGSCGHMNEFFVTL-GOSISDBHSA-N 416.905 5.428 0 40 HKAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cc(C(C)C)ccc3C)c3ccccc32)o1 1320451 YDIOFZALMPVJPK-SANMLTNESA-N 417.505 5.027 0 40 HKAB O=C(COc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccc(F)cc1 1398616 LMFATHCTZSPSLN-UHFFFAOYSA-N 423.793 5.745 0 40 HKAB Cc1cccc(C(=O)Oc2c(Br)cc(Br)c3cccnc23)c1 1437109 WVINXAHAZWNKOO-UHFFFAOYSA-N 421.088 5.287 0 40 HKAB NNc1nc(Nc2cccc3ccccc23)nc(N(c2ccccc2)c2ccccc2)n1 1959584 BXBMRXHDLDIYHW-UHFFFAOYSA-N 419.492 5.524 0 40 HKAB Clc1cccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2Cl)c1 2251670 OQSASNPOOJEUSM-UHFFFAOYSA-N 405.288 6.002 0 40 HKAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)Nc1cccc(Cl)c1 2260670 QHXPLZAMNVJADH-RUZDIDTESA-N 404.941 6.867 0 40 HKAB CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c1ccccc1OC)c1ccccc12 2276873 MOSOGUDZTXIRQA-UHFFFAOYSA-N 417.461 5.044 0 40 HKAB CCCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)c(C)c1 2604835 NAJHIUGEDTUGTE-UHFFFAOYSA-N 412.559 5.040 0 40 HKAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc(OC(F)F)cc1 2630060 SOEUEFHRKKPLRW-UHFFFAOYSA-N 423.371 5.136 0 40 HKAB CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)c1 3322918 UPSYRLUUFZLASB-UHFFFAOYSA-N 411.910 5.524 0 40 HKAB Clc1ccccc1Sc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 3359945 VZOSGQBJQJYRNB-UHFFFAOYSA-N 409.967 6.437 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1ncnc2sccc12)c1ccccc1 3430043 AHFZFASDLKPOBJ-IBGZPJMESA-N 421.547 5.480 0 40 HKAB Cc1ccccc1C(=O)N1CCC(C(=O)Oc2ccc(Cl)c3ccccc23)CC1 3456963 FHLJASORNJUGEE-UHFFFAOYSA-N 407.897 5.259 0 40 HKAB CCOC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 3658659 ZXZLRQJBELRYEJ-OAHLLOKOSA-N 421.497 5.270 0 40 HKAB CCc1ccc(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)s1 4036392 CMGYXRBBPNCVNY-UHFFFAOYSA-N 415.565 5.091 0 40 HKAB Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2Sc2ccc(Cl)cc2)cc1 4054056 MFGMPLBUTOEXBR-UHFFFAOYSA-N 403.956 5.644 0 40 HKAB Cc1cc(C)c(-c2nnc(NC(=O)c3ccc(Br)cc3)s2)c(C)c1 4070363 UFOCOMUFYUZTNQ-UHFFFAOYSA-N 402.317 5.145 0 40 HKAB Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)cc1 4444722 YEEQKMLABSGOTR-UHFFFAOYSA-N 406.938 5.699 0 40 HKAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)c1ccc2c(c1)-c1ccccc1C2 4548451 SANISSJEBCUYPB-UHFFFAOYSA-N 402.450 5.422 0 40 HKAB CCOc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3cccs3)C[C@H]21 4715727 KRQMAVGWRPJGKJ-GCJKJVERSA-N 412.461 5.667 0 40 HKAB CC(C)(C)c1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 4959746 FJZNBESAVMZAIE-UHFFFAOYSA-N 400.551 5.919 0 40 HKAB COc1ccccc1[C@H](CC(=O)Nc1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 5025864 FFSMLSLDTOPPPI-HSZRJFAPSA-N 423.940 6.297 0 40 HKAB CN(C)CCN(C(=O)CCSc1ccccc1)c1nc2ccc(Cl)cc2s1 5115335 XESGONVWHLVDMD-UHFFFAOYSA-N 420.003 5.027 0 40 HKAB CC(=O)[C@@H](C)Sc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 5562991 NYOJGFWBFBVQHT-CQSZACIVSA-N 401.963 5.725 0 40 HKAB CCOc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1OCC 5739714 RLJLOGQTNRUBLH-UHFFFAOYSA-N 404.462 5.191 0 40 HKAB COc1ccc(NC(=O)c2c3c(nc4ccc(Br)cc24)CCCC3)cc1 5917349 OVBJMPVNKIFCQW-UHFFFAOYSA-N 411.299 5.137 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)COc1ccc(Cl)cc1Cl 6243062 QCNLDJYMBMKNEE-GFCCVEGCSA-N 411.354 5.399 0 40 HKAB O=C(COC(=O)c1ccccc1F)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6528642 SMMSWNXURATJFD-UHFFFAOYSA-N 407.485 5.089 0 40 HKAB O=c1c2ccccc2nc(SCc2ncc(-c3ccccc3)o2)n1C1CCCC1 6531355 BEFPBGOVBZRLKY-UHFFFAOYSA-N 403.507 5.459 0 40 HKAB Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2nc3ccc(C)cc3s2)c1 6886852 YXXCSOJZEIKHJQ-UHFFFAOYSA-N 401.491 5.418 0 40 HKAB COc1cc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc(OC)c1OC 7586898 MBWCZEPXOKYOIE-SNAWJCMRSA-N 406.265 5.443 0 40 HKAB CCC[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 7763823 HEPMBNMKMCIVFU-QGZVFWFLSA-N 412.584 5.091 0 40 HKAB C[C@H]1C[C@@H](Sc2nnc(Cc3cccc4ccccc34)n2C2CCCCC2)C(=O)O1 8271402 XKWNSJOLWPSQEY-HRAATJIYSA-N 421.566 5.323 0 40 HKAB O=C(COc1ccc(-c2ccccc2)cc1Br)NCCC1=CCCCC1 8566772 UBECNZLFIWUXRI-UHFFFAOYSA-N 414.343 5.502 0 40 HKAB CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc1 9660202 MOKCMVFVTZIIBI-UHFFFAOYSA-N 419.864 5.764 0 40 HKAB biogenic COc1ccc(Cl)cc1CS[C@H](C)C(=O)Nc1ccccc1C(F)(F)F 9938820 HOHPPSBCYZUZIH-LLVKDONJSA-N 403.853 5.628 0 40 HKAB C[C@H](NC(=O)c1ccccc1I)c1ccc(C(C)(C)C)cc1 10111799 YXDHLIYVKMBZSG-ZDUSSCGKSA-N 407.295 5.080 0 40 HKAB COc1ccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1OC 11617343 INAZUDYSERHDNN-UHFFFAOYSA-N 415.323 5.448 0 40 HKAB Cc1cc2oc(C(=O)N3CCC(c4nc5ccccc5o4)CC3)c(C)c2cc1Cl 11914518 UWUKMYZLHISBCR-UHFFFAOYSA-N 408.885 5.864 0 40 HKAB O=C(COc1cccc(Oc2ccccn2)c1)Nc1ccc(Cl)c2ncccc12 12522532 LCZHAHHTBLLPQV-UHFFFAOYSA-N 405.841 5.093 0 40 HKAB Cc1nc2ccccc2c(C)c1CC(=O)OCCOc1cc(Cl)ccc1Cl 12552675 KQFPBCMTWBUUOR-UHFFFAOYSA-N 404.293 5.323 0 40 HKAB O=C(O)c1ccccc1O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 13135816 QYBLXDWRODFHJI-IBGZPJMESA-N 416.260 5.450 0 40 HKAB C[C@H]1Oc2ccc(NC(=O)c3ccccc3SCc3cccs3)cc2NC1=O 14242328 XMPHLFCRCFSGRH-CYBMUJFWSA-N 410.520 5.012 0 40 HKAB Fc1ccccc1CCNCc1cc(Br)ccc1OCc1ccccc1 16480550 NGYOQDPIMYDYMK-UHFFFAOYSA-N 414.318 5.500 0 40 HKAB CC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 16757892 DHCQVASLPLHVEU-HNNXBMFYSA-N 407.926 5.811 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 17090096 RVFFWBHHCDUOGQ-HNNXBMFYSA-N 414.571 5.038 0 40 HKAB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(-c2ccc(Cl)cc2)o1 17093327 LGTLSYWQBOCUGN-UHFFFAOYSA-N 422.893 5.586 0 40 HKAB Cc1ccc(-c2nnc([C@@H](C)OC(=O)c3cc(C(C)C)nc4ccccc34)o2)cc1 18024824 JWRCAALKJMYLCL-MRXNPFEDSA-N 401.466 5.635 0 40 HKAB c1ccc(OCCOc2ccc(CNc3cccc(OC[C@@H]4CCCO4)c3)cc2)cc1 19738598 NOWTVELISJYVQM-SANMLTNESA-N 419.521 5.314 0 40 HKAB Cc1c(C(=O)Nc2cccc(Cl)c2)nnc2c(-c3ccccc3)c(C(C)C)nn12 20797832 NBMMPWPWDALYTD-UHFFFAOYSA-N 405.889 5.129 0 40 HKAB CCc1ccc(OCc2nnc(S[C@H]3CCCC3=O)n2[C@H](C)c2ccccc2)cc1 25053846 YXVSHQBEMJQNCX-VGSWGCGISA-N 421.566 5.243 0 40 HKAB CCc1ccc(O[C@@H](C)C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1 27793584 MFVWHRNUKFHUJA-ZDUSSCGKSA-N 415.287 5.073 0 40 HKAB O=C(Nc1nn(Cc2ccc(Cl)cc2)cc1Cl)c1ccc(Cl)c(Cl)c1 28573643 LESAZFBXZDRFJM-UHFFFAOYSA-N 415.107 5.797 0 40 HKAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NC4CCCCCCC4)c(C)c3cc2c1C 30819158 OORWNKPCUAEINS-UHFFFAOYSA-N 423.553 5.935 0 40 HKAB O=C(COc1ccccc1F)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@H]1c1ccco1 33723140 FJPHBQRGPJCXIG-YPODGNFJSA-N 420.440 5.214 0 40 HKAB O=C(Nc1cccc(-c2nccs2)c1)c1ccccc1C(=O)c1ccc(F)cc1 40151076 VCMNTCDGTKAROZ-UHFFFAOYSA-N 402.450 5.433 0 40 HKAB Cc1sc2ncnc(N3CCN(Cc4ccccc4)CC3)c2c1-c1ccc(F)cc1 54235502 KXPHOPATZNRTNA-UHFFFAOYSA-N 418.541 5.128 0 40 HKAB Cc1ccc([C@H](c2nnnn2C(C)(C)C)N(Cc2ccco2)Cc2cccs2)cc1 57614134 GWPBJZLTYMUVMV-OAQYLSRUSA-N 421.570 5.183 0 40 HKAB O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)c1cc(-c2ccccc2Cl)on1 58407481 RJTINZGIYSKUES-UHFFFAOYSA-N 423.900 5.264 0 40 HKAB O=C(CSc1ccc2c(c1)CCC2)Nc1cccc(NC(=O)N2CCCCCC2)c1 65553992 RWTFUYFTWLZANF-UHFFFAOYSA-N 423.582 5.314 0 40 HKAB Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1ccccc1C(F)(F)F 67297021 KPQYRVLNPQADOP-FAJYDZGRSA-N 422.406 6.245 0 40 HKAB O=C(CCc1ccccc1)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 72349048 GBJKGESVPDCPLV-QFIPXVFZSA-N 402.513 5.150 0 40 HKAB COc1ccc(CCC(=O)N2CCC[C@@H](c3cccc(Cc4ccccc4)n3)C2)cc1 72349355 DSUQLMNEAYXOIQ-HSZRJFAPSA-N 414.549 5.020 0 40 HKAB Cc1c(Br)c(N)c(Br)c2nc(-c3cccc(Cl)c3)oc12 73639508 BAHZANLSBVNOIC-UHFFFAOYSA-N 416.500 5.564 0 40 HKAB Cc1nc2ccc(N(C)Cc3nnc(-c4cccc(Br)c4)o3)cc2s1 79051280 CDGPOBPOIKWBQI-UHFFFAOYSA-N 415.316 5.054 0 40 HKAB COc1ccc(/C=C2/CCCC3=C2N=C(SC)N[C@H]3c2ccc(OC)cc2)cc1 103145329 NMVYRRAIZSWJQY-BBXQBHCASA-N 406.551 5.589 0 40 HKAB O=C(N1CCc2sccc2[C@@H]1c1cccs1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 106546972 AMJHGAMHKVIDJM-RIOWRKJXSA-N 418.027 5.862 0 40 HKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1ccccc1Cl)[C@@H]2O 118916160 YMHMUKZSUKEOTI-XCEGIKHISA-N 415.017 6.098 0 40 HKAB biogenic CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 219355065 WEBMYOBRIKSVQF-IBGZPJMESA-N 421.522 5.157 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccc(Cl)cc1 222911973 KIUYBVSTCSHZQH-OAQYLSRUSA-N 420.018 5.845 0 40 HKAB Cc1ccc(-c2nnc(NC(=O)c3cccc(OCc4ccccc4)c3)s2)cc1 223312661 NJZNBLQIHVLUQN-UHFFFAOYSA-N 401.491 5.345 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCOc1ccccc1C(C)(C)C 223733071 XTGNLLBBPYOPMF-HXUWFJFHSA-N 403.950 5.299 0 40 HKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 224415915 HWMHRAXXHTXWFH-GOTSBHOMSA-N 420.557 5.705 0 40 HKAB Cc1cccc(C)c1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224959476 JEWBFYDPAADKGE-UHFFFAOYSA-N 402.881 6.531 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c2ccccc12 225680969 YQIOKTSXOSNIQV-HXUWFJFHSA-N 401.550 6.776 0 40 HKAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(Br)c(C)c2)cc1C 225790032 DQQHMBARALXGGE-HNNXBMFYSA-N 407.377 5.128 0 40 HKAB Cc1cc(NC(=S)NCCCc2cccc3ccccc23)ccc1N1CCCC1=O 225809325 QZXNYFNQWAHUGF-UHFFFAOYSA-N 417.578 5.194 0 40 HKAB Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3ccc(Br)cc3)oc12 226286444 OMHLTHPTYJBBFO-UHFFFAOYSA-N 419.278 5.726 0 40 HKAB CC(C)C(=O)N[C@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cccc(Cl)c2O)C1 257251613 JRLLJXCPGUOCAJ-NNMXDRDESA-N 405.897 5.308 0 40 HKAB CCc1s/c(=N\C(=O)c2ccccc2Br)n(CC)c1-c1ccccc1 408562448 PPKSNMMOASKOGQ-XDOYNYLZSA-N 415.356 5.303 0 40 HKAB Cc1cc(C)c(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)c(C)c1 408625045 WPOMYDLGLZIXPY-UHFFFAOYSA-N 416.908 6.006 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OCC 408626146 ZJVYNFNYMOCYSZ-UHFFFAOYSA-N 412.711 5.461 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2cccc(Cl)c2)cc1C 408698131 NZOURBNLKSALCV-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CCSc1ccccc1C(=O)N(C)Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1 408714255 MIGIEQDEDMQHDU-UHFFFAOYSA-N 409.555 5.418 0 40 HKAB Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 408825635 IUAZMIMRHUJGSM-UHFFFAOYSA-N 404.922 6.691 0 40 HKAB COc1ccc(Br)cc1/C=C1\SC(=O)N(c2ccccc2Cl)C1=O 409058997 QEFYQXWKXFBLQR-DHDCSXOGSA-N 424.703 5.352 0 40 HKAB Cc1ccc(SCCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 409179779 SJEBQBOFFWNIJC-UHFFFAOYSA-N 414.423 5.834 0 40 HKAB CC(C)=CCC[C@]1(C)Oc2ccc(-c3ccc(C(=O)O)cc3)cc2[C@@H]2O[C@H](C)CC[C@H]21 585265419 CWPWLZGIUGROPA-BIIVWMMYSA-N 420.549 6.806 0 40 HKAB CC(=O)N1CCCCCCCCN(C(=O)CCC2CCCCC2)Cc2ccccc21 643553411 SCEYMCFNVRJZPJ-UHFFFAOYSA-N 412.618 6.083 0 40 HKAB CC(C)[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)CO[C@@H]1c1ccccc1Cl 643913219 LOFMSIVSWAZUSU-IFMALSPDSA-N 401.982 5.090 0 40 HKAB CC(C)c1cc(C23CC4CC(CC(C4)C2)C3)cc(C(C)C)c1I 1857794850 YZCPJLVSIXHFQZ-UHFFFAOYSA-N 422.394 7.006 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2[C@H](C)Cc2ccc3c(c2)OCO3)cc1 643451 FCEQAOWLJKMYGC-OSPHWJPCSA-N 400.478 5.001 0 40 HKAB aggregator O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 1090505 OQVMVLUBYGJINS-JKURPRQGSA-N 417.508 5.106 0 40 HKAB Cc1ccc(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)c(C)c1 1510124 DUTJHSWNYYDLFY-UHFFFAOYSA-N 412.514 5.910 0 40 HKAB O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1cccs1 1510367 RSGYBJOKQSJMQO-UHFFFAOYSA-N 420.715 5.647 0 40 HKAB CCc1nc(-c2ccccc2)nc2c1nc(-c1cccc(C)c1)n2Nc1ccccc1 1611302 ACYBMMFJPWFOQB-UHFFFAOYSA-N 405.505 5.906 0 40 HKAB CCCCSc1nc2nc3c(cc2c(=O)n1-c1ccc(C)cc1)CO[C@](C)(CC)C3 1906478 CIOZZOWLZHJUJL-XMMPIXPASA-N 423.582 5.223 0 40 HKAB CCCSc1nc(NCc2ccccc2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2369402 XAJKQKZQADCJEZ-QFIPXVFZSA-N 413.612 6.047 0 40 HKAB Cc1cccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2C(C)C)c1C 2713501 ZQCGCIOSDAZUEU-UHFFFAOYSA-N 421.522 5.071 0 40 HKAB O=c1c2sccc2nc(SCc2cccc(Cl)c2)n1Cc1ccccc1F 2908994 VVPIXJRQDABWGR-UHFFFAOYSA-N 416.930 5.591 0 40 HKAB CCCCOC(=O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)OCCCC 3175642 OXFFYCMTRGFSGY-MXXWWZHRSA-N 406.522 5.196 0 40 HKAB CCN(C(=O)CC(=O)N(CC)c1cccc2ccccc12)c1cccc2ccccc12 3268009 KTMOPCARGGOUHT-UHFFFAOYSA-N 410.517 5.789 0 40 HKAB Clc1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1Cl 3338300 GHDRKGVANADUTK-UHFFFAOYSA-N 402.306 6.126 0 40 HKAB Cc1c(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)oc2c1ccc1ccccc12 3427809 WYNNQVJPRSBREY-ZDUSSCGKSA-N 408.841 5.127 0 40 HKAB CCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)cc1 3667547 WYBRIARTJRDHBR-HSZRJFAPSA-N 424.903 6.429 0 40 HKAB CCC(C)(C)c1ccc(OCCCCNC[C@H](O)C(F)(F)F)c(C(C)(C)CC)c1 4050526 NZYIKJKNVHYVNZ-FQEVSTJZSA-N 417.556 5.734 0 40 HKAB S=C(Nc1ccc(Br)cc1)N1CCn2cccc2[C@@H]1c1ccccc1 4059417 AXSLBLALKSAQHB-IBGZPJMESA-N 412.356 5.053 0 40 HKAB CCC(=O)N(CC[C@]1(CCC(C)C)CCOC(C)(C)C1)Cc1ccc(OC)cc1 4073446 KAQNEFINEASZJG-RUZDIDTESA-N 403.607 5.836 0 40 HKAB biogenic CCCCCCc1cc2cc(-c3nc(-c4ccccc4)cs3)c(=N)oc2cc1O 4076179 HYPDXEKSGSHTBT-UHFFFAOYSA-N 404.535 6.531 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)sc2c1CCC2 4263101 IMTBSFUQEUZKCV-NSHDSACASA-N 409.960 5.186 0 40 HKAB Cc1ccc2oc(=O)cc(CSc3nc(-c4ccccc4)c4ccccc4n3)c2c1 4339043 BAUZVVLOCNBQGR-UHFFFAOYSA-N 410.498 6.004 0 40 HKAB CCc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2c(C)c(Cl)ccc12 4553953 JIOARTGQMXZUAQ-UHFFFAOYSA-N 400.909 6.678 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccc(OC)cc1)N1N=C(c3ccc(C)o3)C[C@H]21 4715689 WCNKEJMSOOHATO-HYBUGGRVSA-N 404.466 5.238 0 40 HKAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(Cl)cc1)C(=O)CC(C)(C)C3 4735771 QXCZYIHXUSSDMR-UHFFFAOYSA-N 417.914 5.351 0 40 HKAB COc1ccc([C@@H]2CC(=O)[C@@H](C(=O)OC3CCCCC3)[C@@H]2c2ccc(OC)cc2)cc1 5411723 YHURCXIZSWWLLE-ICDZXHCJSA-N 422.521 5.036 0 40 HKAB CCCc1sc(Nc2ccc(Br)cc2)nc1-c1ccc(OC)cc1 5736025 QOPNVLVMOMUFHI-UHFFFAOYSA-N 403.345 6.277 0 40 HKAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 6560132 DDPXQVORDSYBDT-KRWDZBQOSA-N 420.534 5.343 0 40 HKAB CCCCOc1cccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c1 6592702 XXSNCEBZVGLUTC-UHFFFAOYSA-N 413.473 5.891 0 40 HKAB O=C(NCCCSc1ccccc1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 6610186 KWBBAKHYQDXYPS-HSZRJFAPSA-N 417.530 5.053 0 40 HKAB COCCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nc2ccccc21 6610493 KYBMSQADMHSNMO-UHFFFAOYSA-N 417.534 5.227 0 40 HKAB Cc1sc2ncnc(SCC(=O)Nc3ncc(Cl)c(C)c3Cl)c2c1C 6886596 FHRBAWFNFUTAES-UHFFFAOYSA-N 413.355 5.049 0 40 HKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)c1 7543772 ZCCINXBPDATDKV-IBGZPJMESA-N 415.924 5.567 0 40 HKAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(-c2cn3ccsc3n2)cc1 8280169 XJCIFBNDIXBAQI-UHFFFAOYSA-N 400.507 5.506 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c(C)c1 8496762 LMAQQYAXJQIHMD-FQEVSTJZSA-N 405.563 6.310 0 40 HKAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)on1 9597874 XRJNKNMDBZNPKV-UHFFFAOYSA-N 424.863 5.248 0 40 HKAB Cc1ccccc1-n1cc(-c2ccc(Cl)cc2)nc1SCC(=O)c1ccccc1 12572487 AGVDBYMTQAZRAO-UHFFFAOYSA-N 418.949 6.476 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCCN1C(=O)c1cccs1 12787356 DERKIMTVSJSMJQ-HXUWFJFHSA-N 406.507 5.174 0 40 HKAB COc1ccc(Cc2nn(CN(C)Cc3ccc(Cl)c(Cl)c3)c(=S)o2)cc1 13071942 IXLQCXYVSPNUBF-UHFFFAOYSA-N 424.353 5.201 0 40 HKAB COc1ccc(CCN2C(=O)C3=C(CCCC3)[C@H]2c2c[nH]c3ccccc23)cc1OC 13945655 IAFIVLDEBOQHTM-VWLOTQADSA-N 416.521 5.182 0 40 HKAB CCCCn1nc(C)c2c(C(=O)N[C@H](C)c3ccc(C)cc3C)cc(C3CC3)nc21 13961428 SEQDEUJMLFZWKN-QGZVFWFLSA-N 404.558 5.525 0 40 HKAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(OCc2ccccc2)cc1 14181803 WTTMOTJXQQYKNO-UHFFFAOYSA-N 416.452 5.631 0 40 HKAB Cc1cccc(OCC(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)c1 16349822 OWSHZNJOZRVRNN-UHFFFAOYSA-N 422.488 5.208 0 40 HKAB CCOP(=O)(OCC)[C@@H](NCc1ccccc1)c1ccc(Br)cc1 20135600 NXISYYBJKHRUDP-GOSISDBHSA-N 412.264 5.504 0 40 HKAB CCc1ccc(-n2nc3ccc(NC(=O)c4cccc(O[C@H](C)CC)c4)cc3n2)cc1 20610181 NOQFCPRNXZJBHC-QGZVFWFLSA-N 414.509 5.413 0 40 HKAB O=C(c1csc(-c2cccs2)n1)N1CCc2sccc2[C@H]1c1ccccc1 25900791 WWFSKROYTLVCTN-LJQANCHMSA-N 408.573 5.721 0 40 HKAB O=C(COc1ccc(F)cc1)n1c(SCc2ccccc2F)nc2ccccc21 27019134 FCUJTIUMKQSUDW-UHFFFAOYSA-N 410.445 5.326 0 40 HKAB COc1ccc2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(=O)oc2c1 33809355 TWZSVZDKCLQHEV-UHFFFAOYSA-N 421.836 5.500 0 40 HKAB O=C(c1ccc(F)cc1)C1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 35313146 GGUDIWPHYLZRLR-UHFFFAOYSA-N 402.469 5.679 0 40 HKAB Cc1ccc(C(=O)N2C(=S)C(c3ccc(C(C)(C)C)cc3)=NC23CCCCC3)cc1 45932760 MFWUTVULOMLQEP-UHFFFAOYSA-N 418.606 6.225 0 40 HKAB O=C(Nc1ccccc1)c1ccc(CN(Cc2ccco2)Cc2cccs2)cc1 57273801 OPQPOFNFCCVJQY-UHFFFAOYSA-N 402.519 5.796 0 40 HKAB Clc1ccc2sc(Nc3nc4cc(-c5ccccc5)ccc4o3)nc2c1Cl 57352964 OCKPWEHEBUUUEY-UHFFFAOYSA-N 412.301 7.155 0 40 HKAB FC(F)(F)c1cccc(CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)c1 57510803 GXMWBNCYTYOMPL-UHFFFAOYSA-N 419.859 6.361 0 40 HKAB O=C(/C=C/c1ccncc1)Nc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 58087387 FRRGKAKMJALTJX-CMDGGOBGSA-N 411.383 5.005 0 40 HKAB Cc1nc(C)c([C@H](C)NC(=O)CCN2c3ccccc3Sc3ccccc32)s1 65518625 NAGLMKQTSLDQCQ-HNNXBMFYSA-N 409.580 5.630 0 40 HKAB COc1ccc(-n2c(SCc3cccc(C)c3)nc3ccccc3c2=O)c(OC)c1 67258882 YPRJHTQNDFLKOI-UHFFFAOYSA-N 418.518 5.004 0 40 HKAB Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c(Cl)c1 72193773 DYHMHUHNWUQOJS-UHFFFAOYSA-N 421.368 5.864 0 40 HKAB COc1cc(C(=O)Nc2c(F)cc(F)cc2-c2ccccc2)cc(Cl)c1OC 83921342 CILLXNDPGMEIRG-UHFFFAOYSA-N 403.812 5.555 0 40 HKAB Cc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NC2CCC2)c2ccccc23)s1 96052753 KYHJXBCHYPJQDQ-IBGZPJMESA-N 408.611 5.136 0 40 HKAB CCc1cccc(N2C(=O)N(C(=O)c3cccs3)[C@H]3C[C@@]2(C)Oc2ccccc23)c1 100033542 HKLBZJNCPLVXPI-YADARESESA-N 418.518 5.633 0 40 HKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1C[C@H]1CC=C(C)C1(C)C 102788483 IHXLCLUTSHQOPT-GCJKJVERSA-N 420.597 6.899 0 40 HKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC 106689456 SXAWQNLVFOIYJO-MOSHPQCFSA-N 415.486 5.250 0 40 HKAB C[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCCC2 222905986 FFCPSXFXNJLSDM-OAQYLSRUSA-N 424.588 5.615 0 40 HKAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc(Cl)cc1 224163249 CXXCWHDSEQUFQP-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 224180558 VHXKNTVKPTXGDP-GOTSBHOMSA-N 415.493 5.658 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)c1 224252464 KCBWTXPCMMHDSY-RPWUZVMVSA-N 410.546 5.358 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccc(C)c(C)c1 224296479 KHHGXZAOJVIGKM-NRFANRHFSA-N 417.549 5.642 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(I)cc1 225322492 ISDXEXYLFGUAKF-UHFFFAOYSA-N 420.077 5.169 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=O)CCc1ccc(Cl)cc1Cl)CC(C)(C)O2 225378332 HWHQSLRZVVJLQF-SFHVURJKSA-N 408.325 5.353 0 40 HKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(C)c(C)c1 225587822 JWTQDICDIJBROT-QHCPKHFHSA-N 416.968 5.575 0 40 HKAB CCO[C@]1(C(=O)Nc2ccc(OCCCN3CCCC[C@H]3C)cc2)CCC[C@H](C)C1 260816811 QQAIJZWRFPQGSN-BPYKYCOYSA-N 416.606 5.254 0 40 HKAB CCCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(CC)c1-c1ccc(C)cc1 408564133 YDUZVZQBAKLKIO-RFBIWTDZSA-N 422.638 6.141 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 408617090 BKXJGAVDWRHQFA-UHFFFAOYSA-N 424.283 7.298 0 40 HKAB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccccc1Cl 408811338 LCJXJEQIFPQNBX-SXGWCWSVSA-N 424.305 5.247 0 40 HKAB O=C(c1ccc(CSCc2ccccc2)cc1)N1CCN(c2ccc(F)cc2)CC1 408908156 UJMVPFRORNPPKP-UHFFFAOYSA-N 420.553 5.222 0 40 HKAB O=C(Nc1ccccc1)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408979222 QDWIPUNWKBZWBH-UHFFFAOYSA-N 403.445 5.006 0 40 HKAB CCc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Br)c(C)c2)cc1 408997896 PAOIFALKSSUCQX-QFIPXVFZSA-N 421.338 6.091 0 40 HKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 409174395 RXDQPZGBQJTHHR-IBGZPJMESA-N 407.604 6.715 0 40 HKAB O=C(OC(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 409179664 RLCGJQZHQGBBJU-UHFFFAOYSA-N 415.492 6.848 0 40 HKAB Cc1c(OCc2nnc(SCc3ccccc3Cl)n2C)ccc2ccccc12 409341979 DDMFGDXHWYITNZ-UHFFFAOYSA-N 409.942 5.801 0 40 HKAB CC(C)c1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 409412548 XFHUSLCFHHQXKL-DEOSSOPVSA-N 420.534 5.430 0 40 HKAB COc1ccc(OC(C)C)c(-c2ccc(C(=O)O)c(COc3ccc(C)c(C)c3)n2)c1 585265318 JFJZCYOWIBYQTL-UHFFFAOYSA-N 421.493 5.438 0 40 HKAB CCc1cccc(CC)c1N(COC)C(=O)CSc1nc2ccccc2s1 857500 WZIYXIPECKIMAX-UHFFFAOYSA-N 400.569 5.150 0 40 HKAB Fc1ccc(CCNc2c3c(nc4cc(-c5cccc(Cl)c5)nn24)CCCC3)cc1 1341710 DXMDNXIYSQNRKA-UHFFFAOYSA-N 420.919 5.722 0 40 HKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3ccc(F)cc3)cc12 1366466 SZZCNTVJCJQGRE-UHFFFAOYSA-N 420.509 5.188 0 40 HKAB Cc1ccc(CS(=O)(=O)c2nc(-c3ccccc3)c(-c3ccccc3)n2C)cc1 1392068 NILCSKHQSURHLI-UHFFFAOYSA-N 402.519 5.036 0 40 HKAB CSc1nc(Sc2cccc(C(F)(F)F)c2)c2cnn(-c3ccccc3)c2n1 1403689 QSEUDMUTYQWLDV-UHFFFAOYSA-N 418.469 5.707 0 40 HKAB Cc1cccc(Cl)c1NC(=O)c1cccc(C(=O)Nc2c(C)cccc2Cl)c1 1738757 RJTGQAGDXXJOTE-UHFFFAOYSA-N 413.304 6.115 0 40 HKAB CCCOc1ccccc1NP(=O)(Oc1ccccc1F)Oc1ccccc1F 1858017 DFKILSHBCCORRU-UHFFFAOYSA-N 419.364 6.432 0 40 HKAB Cc1cc(C)c2/c(=N/c3ccc(Br)cc3)cc(-c3ccccc3)oc2c1 1892296 IWDSPNNLEOJARS-LKUDQCMESA-N 404.307 6.712 0 40 HKAB Cc1cccc(NC(=O)Nc2cccc(Oc3c(F)c(F)c(F)c(F)c3F)c2)c1 2413860 IGAOXIOXHAITHC-UHFFFAOYSA-N 408.326 6.127 0 40 HKAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)c(C)c2)c1 2421220 MBNYSAGBAPVKON-UHFFFAOYSA-N 418.522 5.099 0 40 HKAB CSc1nc(Cl)cc(Sc2nc(-c3cc(Cl)cc(Cl)c3)n[nH]2)n1 2577974 XERXXUYDWZHACS-UHFFFAOYSA-N 404.735 5.095 0 40 HKAB FC(F)(F)c1cnc(CSc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 3128461 AAWZQFRKCKBPLN-UHFFFAOYSA-N 407.166 6.113 0 40 HKAB COc1ccc(NC(=O)N[C@H](c2ccc(C)c(F)c2)C(Cl)(Cl)Cl)cc1 3191033 ILJVMZFYQRMHPC-OAHLLOKOSA-N 405.684 5.376 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc(Cl)s1 3200963 KKEWSSGFKBBYMZ-UHFFFAOYSA-N 424.934 6.008 0 40 HKAB CC(C)CCN1C(=O)[C@@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 3231080 FNBXVITVNRZGLQ-HHHXNRCGSA-N 413.517 5.207 0 40 HKAB Clc1ccc(-c2ccc(/C=C/c3ccc(-c4ncc(-c5ccccc5)o4)cc3)o2)cc1 3260481 USPMGSNFBOMMJJ-OVCLIPMQSA-N 423.899 8.092 0 40 HKAB Cc1ccccc1Nc1nnc(SCCOc2ccc(Br)cc2)s1 3294008 GSFJRWUMGZXIIV-UHFFFAOYSA-N 422.373 5.524 0 40 HKAB COC(=O)c1cc(COC(=O)c2cc(-c3cccs3)nc3ccccc23)oc1C 3375923 LJEKGGKAJGCQEZ-UHFFFAOYSA-N 407.447 5.008 0 40 HKAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)/C=C/c3cccc(F)c3)n2)cc1 3390565 CLKYEKJQBWNLJG-SAAWKEMMSA-N 424.497 5.095 0 40 HKAB CC(C)c1ccc(/C=C/C2=NN(Cc3cccc(C(F)(F)F)c3)C(=O)CC2)cc1 4041719 NCGJJUMSWZBHJS-DHZHZOJOSA-N 400.444 6.021 0 40 HKAB O=C(c1ccc(C(F)(F)F)cc1)N1CCCN=C1SCc1ccc(Cl)cc1 4105521 SDWXZHQIIVXUJG-UHFFFAOYSA-N 412.864 5.494 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 4109867 JUFCWFIBYCLSHT-UHFFFAOYSA-N 420.475 5.837 0 40 HKAB COc1cc(CNc2ccc(N3CCCCC3)cc2)ccc1OCc1ccccc1F 4148482 BSHOJUKMDJJIAK-UHFFFAOYSA-N 420.528 6.016 0 40 HKAB COc1ccc(C(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)o2)cc1 4614479 ZPEHXZCNCHTDRJ-UHFFFAOYSA-N 412.511 5.064 0 40 HKAB CC(C)OC(=O)c1c(NC(=O)/C=C/C(=O)O)sc2c1CCCCCCCCCC2 5633316 WPSRTNAHEXUSFM-BUHFOSPRSA-N 421.559 5.112 0 40 HKAB O=C1S/C(=C/c2c(F)cccc2Cl)C(=O)N1Cc1c(F)cccc1Cl 6925640 ROPDLVXUAYYSFG-VIZOYTHASA-N 400.233 5.508 0 40 HKAB CC(C)[C@H](NC(=O)CCCc1nc2ccccc2s1)c1ccc2c(c1)OCCCO2 7985601 NGFOWYJWQZDZCL-DEOSSOPVSA-N 424.566 5.294 0 40 HKAB Cc1cc(CSc2ccccc2C(=O)Nc2ccc(-c3ccccc3)cc2)no1 8270297 SHQAVANWUGRDIQ-UHFFFAOYSA-N 400.503 6.195 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1 8335544 KGIWZMMOEPFFFG-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB CN(Cc1ccccc1)c1nc2c(-c3cccc(F)c3)nnn2c2ccc(Cl)cc12 8757146 NIPJINWNJAYNPB-UHFFFAOYSA-N 417.875 5.373 0 40 HKAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1cccc(C(F)(F)F)c1 9391582 AIJOJWYPMKCVIN-UHFFFAOYSA-N 423.847 5.544 0 40 HKAB CCc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2ccc(OC)c(OC)c2)CC3=O)cc1 10156848 PKEAIMISNXTNNL-SFHVURJKSA-N 417.509 5.021 0 40 HKAB Cc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc(Cl)s3)nc12 10381535 NWUBDRMVNTUSKA-UHFFFAOYSA-N 416.959 5.253 0 40 HKAB CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl)O[C@@H](C)C2 12562872 IOBVZOROVSCBLF-RYUDHWBXSA-N 409.313 5.155 0 40 HKAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)Cc1cccc(F)c1 12775982 WHCAJXHPFNPEOA-UHFFFAOYSA-N 404.894 5.095 0 40 HKAB CCOc1ccccc1-c1nc(CC(=O)Nc2nc(C(C)(C)C)cs2)cs1 12972986 GHCDDJPGPFZCSG-UHFFFAOYSA-N 401.557 5.144 0 40 HKAB Cc1cccc(N2CCN(C(=O)/C=C/c3ccc(Cl)c(C(F)(F)F)c3)CC2)c1C 13070270 KMTOSXDXLZCCAP-VQHVLOKHSA-N 422.878 5.338 0 40 HKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 13708583 AWUGLNCZRYAVKM-QGZVFWFLSA-N 417.892 6.692 0 40 HKAB COc1ccccc1CN(Cc1cccs1)C(=O)c1cnc(Cl)c(Cl)c1 16015062 GAIWODFHYGISBG-UHFFFAOYSA-N 407.322 5.301 0 40 HKAB Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4cccs4)c3C)oc2cc1C 17092770 YPWFBSRGJSEZCO-UHFFFAOYSA-N 421.547 5.608 0 40 HKAB Cc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)c1 17123229 AHNYDDJIURGIKE-UHFFFAOYSA-N 408.914 5.089 0 40 HKAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)C2CCCCC2)n1 19689617 OZEPHWKSCMUSPX-HXUWFJFHSA-N 412.965 5.107 0 40 HKAB O=C(CSCc1cccc(Br)c1)NCc1ccc(Cl)cc1Cl 20238289 RZZVOZZTIFXCFP-UHFFFAOYSA-N 419.171 5.306 0 40 HKAB CC(C)c1ccc([C@@H]2CC(=O)c3cn4nc(-c5ccc(Cl)cc5)nc4nc3C2)cc1 20671757 ZNLGISIBZKCYCJ-SFHVURJKSA-N 416.912 5.481 0 40 HKAB Cc1ccccc1CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 22320837 MHINZQYSJXLODW-UHFFFAOYSA-N 402.372 5.040 0 40 HKAB O=C(Nc1ccccc1Cl)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 28247649 XOXCOMLRVRDZBS-UHFFFAOYSA-N 415.902 5.057 0 40 HKAB Cc1ccccc1SCN(CSc1ccccc1C)C(C)(C)CC(C)(C)C 31670216 UVKJJMXATATNND-UHFFFAOYSA-N 401.685 7.620 0 40 HKAB O=C(c1ccncc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 34798085 LVAHXYITXZWKEW-UHFFFAOYSA-N 415.496 5.349 0 40 HKAB COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 38334056 NMYROXPSKHHTLY-WZWQWTGRSA-N 402.575 5.306 0 40 HKAB Cc1ccc(-c2nc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)c(C)o2)cc1 48989752 AAWFASSZPHNFFF-UHFFFAOYSA-N 418.518 5.354 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1c(O)ccc2ccccc12 57316149 FLLJFTZGAZNJHM-NTCAYCPXSA-N 414.486 5.332 0 40 HKAB Cc1c(Br)cc(-c2nc3c(ccc4ccccc43)o2)cc1Br 57331893 SQKPORVYXISICD-UHFFFAOYSA-N 417.100 6.481 0 40 HKAB COc1ccc(-c2csc3ncnc(NC[C@H](c4cccs4)N(C)C)c23)cc1 57366532 BRJDVGUKTAVXQW-QGZVFWFLSA-N 410.568 5.143 0 40 HKAB CCOc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(OC)cc1 67297590 VAEVWLMYHGCPHS-RFBIWTDZSA-N 414.461 5.325 0 40 HKAB C=Cc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)cc1 71327565 DQTCYEDQNCWMFX-UHFFFAOYSA-N 408.523 5.581 0 40 HKAB CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCCN2C(=O)CC2CCCCC2)n1 72390728 BJFJPVUWLLDKFS-OAQYLSRUSA-N 424.589 5.725 0 40 HKAB COc1ccc(NC(=O)c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 107823773 NQBKJMQKXKBRQD-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](C5(C)OCCO5)CC[C@]4(C)[C@H]3CC[C@]12C 118914915 GFXBFUNNPOLAPC-OPKHLUCYSA-N 404.591 5.340 0 40 HKAB CSc1cccc(N2C(=O)N(CC3CCCCC3)c3ccccc3S2(=O)=O)c1 211220264 CFNWXVHJONUYON-UHFFFAOYSA-N 416.568 5.124 0 40 HKAB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc(OC)c1 214430492 MMHQHVVGGBVOBP-REZTVBANSA-N 424.305 5.247 0 40 HKAB Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 223106662 NCGLIUOXJDVBSD-BJKOFHAPSA-N 416.594 5.486 0 40 HKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223344207 WNZNAAWTSOESBQ-IIBYNOLFSA-N 403.950 5.815 0 40 HKAB CCn1c(=O)sc2cc(NC(=O)c3ccccc3SCc3ccccc3)ccc21 225096117 BSHCACJIOYSSBH-UHFFFAOYSA-N 420.559 5.628 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(OC(C)C)cc1 225687944 YVVZYWAKEFEWIK-IBGZPJMESA-N 400.544 5.071 0 40 HKAB O=C1CC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)Oc2c1ccc1ccccc21 225825153 ICJJDEGMIUMZRG-UHFFFAOYSA-N 420.896 5.525 0 40 HKAB COCc1ccc(C(=O)N2CCC[C@H](c3cc(Cc4ccccc4)cc(C)n3)C2)cc1 257344986 ZZLLLNVRFSSRRG-VWLOTQADSA-N 414.549 5.147 0 40 HKAB COc1cc(C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(C)cc1 408555864 YYLWPEJENJFXDV-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB Cc1cccc(CNC(=S)c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 408576735 QSKKGQHMHVMGAE-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB S=C(NCCc1ccccc1)c1cccc(OCc2c(Cl)cccc2Cl)c1 408577885 VJQJXVUTIIPTAH-UHFFFAOYSA-N 416.373 6.080 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccccc2)c1 408697775 JHZNEGCAUQUZLZ-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COc1cccc(/C=C2\N=C(c3sc4cc(C)ccc4c3Cl)OC2=O)c1OC 408974084 WZBAHPBIVQJJAT-UVTDQMKNSA-N 413.882 5.225 0 40 HKAB Cc1ccc(NCc2cccc(OCc3ccc(Br)cc3)c2)cc1Cl 409116762 LQPYQOQOKJJOOD-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB COc1ccc([C@H](NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)C(C)C)cc1 604419417 MVTPPHBKMGDBOX-XMSQKQJNSA-N 423.582 5.591 0 40 HKAB CCN1CCCCCN(C(=O)CC(C)C)[C@@H](CC(C)C)COc2ccccc2C1=O 643583230 LANJDWZHLPDEDN-NRFANRHFSA-N 416.606 5.001 0 40 HKAB O=C(N1CCC[C@H]1c1ccnc(-c2ccccc2)n1)C1(c2cccc(F)c2)CCCC1 2037834812 SFYBBMSRPCPUFH-QHCPKHFHSA-N 415.512 5.458 0 40 HKAB Nc1c(C(=O)Nc2c(Cl)cccc2Cl)sc2nc3c(cc12)CCCCCC3 663252 RVWNAWIINLSRQB-UHFFFAOYSA-N 420.365 6.097 0 40 HKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N(C)C4CCCCC4)c3N2)cc1 674840 MYEXGHVYBQYSHA-RTBURBONSA-N 420.479 5.257 0 40 HKAB Cc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c(Cl)c1 678716 DQXGVSYLTKQNMF-UHFFFAOYSA-N 411.292 5.596 0 40 HKAB Cc1nc2sc3c(SCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 1254773 DGHMMUVNLKCWAX-UHFFFAOYSA-N 407.564 5.692 0 40 HKAB COC(=O)c1cc(Br)ccc1NC(=O)C(c1ccccc1)c1ccccc1 1441827 MUAVSVOBVNYVTL-UHFFFAOYSA-N 424.294 5.006 0 40 HKAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1 1620869 ADPNZQKYVCZNGB-UDWIEESQSA-N 410.256 6.130 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1sc(-c2ccccc2)nc1-c1ccccc1 1811810 HZGFPJAHWBOYER-UHFFFAOYSA-N 424.447 6.748 0 40 HKAB CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1cccc(C(F)(F)F)c1 1902802 MDRYEWCYTGGOMJ-UHFFFAOYSA-N 424.418 6.620 0 40 HKAB CCOC(=O)c1c(CC(C)C)csc1NC(=O)c1ccc(-c2ccccc2)cc1 2288222 FMVMHZUXPAAHKS-UHFFFAOYSA-N 407.535 6.043 0 40 HKAB O=C(Nc1cccc(Cl)c1)Nc1nnc(SCCOc2ccccc2)s1 2308067 BEYCXASVLHLAHV-UHFFFAOYSA-N 406.920 5.007 0 40 HKAB Cc1cccc(OCc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)c1C 2351981 WRZORMUIYWMNTI-UHFFFAOYSA-N 423.325 5.685 0 40 HKAB COc1ccc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1c1cccc(C)c1 2746701 FIFIDSTWXZRYRA-OAQYLSRUSA-N 423.310 5.537 0 40 HKAB COc1ccccc1NCC(=O)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1 2887668 FELDQPMQPMQUES-UHFFFAOYSA-N 422.337 5.100 0 40 HKAB O=c1c2ccccc2nc(SCc2cc(F)ccc2F)n1CCc1ccccc1 2970265 KVDXCLCRACJEAR-UHFFFAOYSA-N 408.473 5.210 0 40 HKAB O=C(O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)c1ccccc1F 3250902 GQZFANLYJOWUBM-IBGZPJMESA-N 418.251 5.669 0 40 HKAB O=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccco2)c(-c2ccco2)s1 3278354 APDUXUXXNKTWMW-UHFFFAOYSA-N 423.475 5.535 0 40 HKAB Cc1ccc(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)cc1Cl 3320030 GDYNFQYJEBDQKW-UHFFFAOYSA-N 412.269 5.451 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(CC)cc1)c1ccccc1 3393891 TUULDXYKDUVHPC-QHCPKHFHSA-N 403.478 5.185 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Oc2ccccc2)cc1 4034024 QASQPAHNCASNOJ-UHFFFAOYSA-N 405.457 6.275 0 40 HKAB O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCS[C@H]1c1ccccc1Cl 4176780 SZWZVWDZJJFXBN-NRFANRHFSA-N 415.967 5.443 0 40 HKAB Cc1cccc(CSc2nc3c(oc4ccccc43)c(=O)n2-c2ccccc2C)c1 4315970 ALDQIYPAMMKDPR-UHFFFAOYSA-N 412.514 6.041 0 40 HKAB CC1=CC(C)(C)N(C(=O)CSc2nc3ccccc3s2)c2cc(C)c(C)cc21 4371538 VTFACDJHXVSVTL-UHFFFAOYSA-N 408.592 6.234 0 40 HKAB CC(=O)Oc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc1 4705021 KXGNMGWKTVFLDX-UHFFFAOYSA-N 406.825 5.326 0 40 HKAB C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1ccc(F)cc1)C(=S)N2c1ccccc1 4821884 VBWSIGMFMZJKTE-RDPSFJRHSA-N 418.493 5.313 0 40 HKAB CCc1cc2cc(C)cc(C)c2nc1SCC(=O)Nc1ccc(NC(C)=O)cc1 4849498 CBAUICVFOACLMS-UHFFFAOYSA-N 407.539 5.103 0 40 HKAB Cc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2ccco2)c1 4920533 JOTGXSXRDCAEQC-UHFFFAOYSA-N 403.551 5.819 0 40 HKAB COc1cc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(C)c(C)c4)c3c2cc1OC 4970046 VNVNOLWXOXIPMP-UHFFFAOYSA-N 423.516 6.183 0 40 HKAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(C(F)(F)F)cc1)CSC2 5077541 OZZNYBRUKBRAQK-UHFFFAOYSA-N 403.429 5.199 0 40 HKAB Cc1cccc(Cn2c([C@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)nc3ccccc32)c1 5235923 ZRIUQXGONOVQFB-QFIPXVFZSA-N 409.533 5.530 0 40 HKAB Cc1ccccc1-c1nc(C(=O)NC[C@@H](O)c2ccccc2)cc2c1[nH]c1ccccc12 6090660 ONKUOGMBPYDJGU-XMMPIXPASA-N 421.500 5.155 0 40 HKAB biogenic CCOc1ccccc1NC(=O)c1nc(SCc2ccc(C)cc2)ncc1Cl 6748014 GYMXPQBVHIHTCB-UHFFFAOYSA-N 413.930 5.382 0 40 HKAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nc(-c3ccccc3)n[nH]2)c1 6879943 ATXGEERPJPITCQ-UHFFFAOYSA-N 414.534 5.106 0 40 HKAB CCc1nnc(S/C(=C\c2c(-c3ccccc3)[nH]c3c(C)cc(C)cc23)C(=O)O)[nH]1 7342386 RXVMBYBQJHYKPO-PDGQHHTCSA-N 418.522 5.350 0 40 HKAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C)cc4)cc3)CC2=O)cc1 7882515 LLPDEBJHDJNBKA-HXUWFJFHSA-N 414.505 5.341 0 40 HKAB CC(=O)Nc1ccc(Oc2nc(CN3CCC(C)CC3)nc3sc(C)c(C)c23)cc1 7982505 VBQGYYZWACKPEY-UHFFFAOYSA-N 424.570 5.291 0 40 HKAB O[C@]1(C(F)(F)F)CC(c2ccccc2)=NN1c1nc(-c2ccc(Cl)cc2)cs1 8711475 COGJSVVRDWFSNI-SFHVURJKSA-N 423.847 5.329 0 40 HKAB Cc1ccc(/C=C2\S[C@@H](c3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1 8869942 GGHRTKJMZSNNRL-FCKOQQNDSA-N 405.950 6.777 0 40 HKAB Cc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)c2cccs2)nn1 9116642 HJGGTBHYSMMNBJ-UHFFFAOYSA-N 409.561 5.612 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)N1CC[C@@H]2CCCC[C@@H]2C1 9365886 ZLCYZFXYVQRIGQ-AZUAARDMSA-N 417.578 5.428 0 40 HKAB CC(=O)Oc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 10041719 PJYIROFTNRKOHK-QFIPXVFZSA-N 408.837 5.046 0 40 HKAB Cc1cc(-c2cnc(C)nc2-c2ccc(CNC(=O)c3csc(C)c3C)cc2)on1 12159047 BGOWYYGAFJKKBP-UHFFFAOYSA-N 418.522 5.024 0 40 HKAB COc1cccc(N2C[C@H](c3nc4ccccc4n3[C@H](C)c3ccccc3)CC2=O)c1 13806242 NTCCPBNKSHTEFN-UYAOXDASSA-N 411.505 5.175 0 40 HKAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1OCc1ccc(Cl)cc1 14793536 WTVUFCISQQIFCG-UHFFFAOYSA-N 424.884 5.138 0 40 HKAB CC(C)Sc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 15883832 AGKHVZCEEDTIHD-UHFFFAOYSA-N 404.560 6.716 0 40 HKAB COc1cccc(Cn2nc(-c3cccc(C)c3)c(Cl)c2-c2cccc(C)c2)c1 17082584 GJGGDDKPSMWGSY-UHFFFAOYSA-N 402.925 6.544 0 40 HKAB CCCOc1ccc([C@H]2CC(=O)Nc3c2cc(Br)c2ccccc32)cc1 20851416 JDWXYVNHFLDFGW-GOSISDBHSA-N 410.311 5.865 0 40 HKAB CCN(CC)c1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)cc1 26771917 HHDZJKDZTMYHPS-BOCKAPNTSA-N 418.625 5.914 0 40 HKAB Cc1cc(C)cc(NC(=O)c2oc3c(c2C)-c2nc4ccccc4nc2C(C)(C)C3)c1 26919676 NKGMBEHOUCYRET-UHFFFAOYSA-N 411.505 5.901 0 40 HKAB CC(C)c1noc([C@@H](C)Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)n1 27766605 GPKKIWFIAZGDKD-CYBMUJFWSA-N 417.966 6.073 0 40 HKAB O=C(CCN(Cc1cccs1)C[C@@H]1CCCO1)Nc1cc(Cl)ccc1Cl 28887745 ZVJBYBAPBUCHQT-HNNXBMFYSA-N 413.370 5.065 0 40 HKAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCSc2ccc(F)cc21 31712051 AQPQKUWKBABQAZ-IINYFYTJSA-N 400.302 5.253 0 40 HKAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)COc3cc(C)cc(C)c3)n2)cc1 32622836 YMINAHXAQUENQY-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB CN(Cn1nc(C2CC2)n(Cc2ccccc2)c1=S)[C@@H]1CCCc2ccccc21 32899421 AHVRKDORSYSHEE-JOCHJYFZSA-N 404.583 5.307 0 40 HKAB O=C(COc1cccc(-c2noc(-c3cccs3)n2)c1)Nc1ccc(Cl)cc1 33327441 LVOYXVQJSLCUHM-UHFFFAOYSA-N 411.870 5.136 0 40 HKAB COc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)cc1Cl 36616630 JOBQUMQMRXXDAK-UHFFFAOYSA-N 424.863 5.091 0 40 HKAB O=C(Nc1ccc(SC(F)F)cc1)c1cc(-c2ccncc2)nc2ccccc12 37868934 QHQAKVCNYCWSNF-UHFFFAOYSA-N 407.445 5.864 0 40 HKAB Cc1cccc(CS(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 44880052 MKDUMUZVAMMUIG-UHFFFAOYSA-N 421.562 5.465 0 40 HKAB CCOC(=O)Nc1ccc(NC(=O)OCC)c2c1[C@H]1C=C[C@@H]2[C@@]23C=C[C@@]12CC=CC3 45071079 SVKMCRRMXIRDJM-CRHBMCAUSA-N 406.482 5.467 0 40 HKAB CCOc1ccc2cc(CNc3ccc(N4C[C@H](C)C[C@@H](C)C4)cc3)c(=O)[nH]c2c1 57718362 PPLMCAKCQLLEBD-QZTJIDSGSA-N 405.542 5.021 0 40 HKAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(Br)cnc1Cl 58162190 LTVQKFXULPCYSJ-UHFFFAOYSA-N 412.671 5.012 0 40 HKAB Cc1cc(Br)sc1-c1nnc(-c2sc(Br)cc2C)o1 68591673 LBDIZTSYSWJVJL-UHFFFAOYSA-N 420.151 5.668 0 40 HKAB biogenic CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72215111 HEWKWNZSIJEDGZ-AEFFLSMTSA-N 419.566 5.694 0 40 HKAB Cc1ccc(C(=O)N2C[C@H](C)N(C(=O)c3ccc(C)c(F)c3)c3ccccc32)cc1F 72307992 HWJKQFDHSVWPAM-KRWDZBQOSA-N 420.459 5.277 0 40 HKAB Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)CCOc3ccccc3C)n2)n1 72375618 SMMZCPZFJFMEME-IBGZPJMESA-N 422.554 5.031 0 40 HKAB C[C@H]1CN(C(=O)c2oc3ccccc3c2CSc2cccs2)CC(C)(C)O1 84705737 SSSRAVNTQNCHFV-AWEZNQCLSA-N 401.553 5.426 0 40 HKAB COc1ccc(/N=c2/ssc3c2-c2cc(C)ccc2N(C)C3(C)C)c(OC)c1 100113316 KIRTWUVQXPNNFB-XTQSDGFTSA-N 412.580 5.720 0 40 HKAB O=C1[C@@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1 100187137 VXKOXQSDVLPQFM-SAZLYLDSSA-N 421.471 5.249 0 40 HKAB COc1ccc([C@H]2OC[C@]3(COC(=O)c4ccccc4)[C@@H](C)[C@@H]2C(C)=C[C@H]3C)cc1 100745436 VGRINMHUNLQXBU-PIMHNRKWSA-N 406.522 5.458 0 40 HKAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 103024165 HHCUODSRPCZXCJ-OAGGEKHMSA-N 405.567 5.935 0 40 HKAB C[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1)c1ccc(F)cc1 223081997 MGYHVCKETDPJIS-INIZCTEOSA-N 420.459 5.049 0 40 HKAB O=C(O)[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1ccccc1Cl 225133293 BICGJLNKISZDFU-HXUWFJFHSA-N 403.261 5.860 0 40 HKAB Nc1c(-c2ccc(Br)cc2)c(C(F)(F)F)nn1-c1cccc(Cl)c1 225181595 JYQWNAUHCLBJTJ-UHFFFAOYSA-N 416.628 5.556 0 40 HKAB Cc1cc(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)ccc1N1CCCC1=O 225408189 XCRIOUSLLKVVPI-QGZVFWFLSA-N 409.599 5.467 0 40 HKAB CC[C@H](C(=O)N1CCC[C@@H](Cc2nc(-c3ccccc3C)no2)C1)c1ccccc1 225540876 HPEKPDODVUNVFA-FPOVZHCZSA-N 403.526 5.020 0 40 HKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225623484 MIFXPWVRYRJKDM-XMMPIXPASA-N 404.595 5.111 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1snnc1-c1ccc(F)cc1 225780039 BLILQZVZNONHQT-UHFFFAOYSA-N 401.772 5.269 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1C 225858113 COWAYGNFTBQTKW-UHFFFAOYSA-N 411.954 6.592 0 40 HKAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1C(C)C 225861025 CBAMHYQYWGTPOA-KRWDZBQOSA-N 403.588 5.464 0 40 HKAB CN(Cc1ccccc1F)C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 225906635 MIHJQOKSOQGUQJ-KRWDZBQOSA-N 409.332 5.003 0 40 HKAB CCCC(=O)N1Cc2ccccc2OC2(CCC(N(C)CC3CCCCC3)CC2)C1 257226917 FMSSQXCWNMAUAT-UHFFFAOYSA-N 412.618 5.401 0 40 HKAB COc1ccc(CCNC(=S)c2ccccc2OCc2ccc(Cl)cc2)cc1 408573152 INQREDHINRQLFK-UHFFFAOYSA-N 411.954 5.435 0 40 HKAB Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)ccc1Br 408594553 IGORXOFYQHILJA-UHFFFAOYSA-N 418.143 5.191 0 40 HKAB O=C(Nc1ccccc1Cl)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 408700144 ZBMFPIHBERKFRV-UHFFFAOYSA-N 409.276 5.493 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3sc(C(=O)N4CCCC4)cc3c2)cc1C 408713051 IHHHTINCUFAARU-UHFFFAOYSA-N 408.523 5.097 0 40 HKAB Cc1ccc(Cl)cc1NCc1ccccc1OCc1ccc(Cl)cc1Cl 409111498 ATVQWRFTSFFVAK-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccc(Cl)nc3)cs2)cc1 585295223 QSJOLEZEGJFJBI-GOSISDBHSA-N 412.946 5.089 0 40 HKAB COc1nc(-c2cc(C)cc3c2NC(C)(C)C=C3C)nc2c1cnn2-c1ccccc1 675018750 BWHPPHKJIPWLRB-UHFFFAOYSA-N 411.509 5.407 0 40 HKAB Cc1cc(C(=O)Nc2ccc(-c3nc4cc(Br)ccc4s3)cc2)no1 1615613380 UOBVAHNVRKSVAQ-UHFFFAOYSA-N 414.284 5.275 0 40 HKAB CCOc1ccc(CC(=O)Nc2c(C(=O)C3CC3)oc3ccccc23)cc1OCC 720419 XIOFLKLDDKQHKL-UHFFFAOYSA-N 407.466 5.004 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)nc2c1 864718 KFOVRNASENUJDQ-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB O=C(CSc1ccccc1Cl)N1CCC(c2nc3ccccc3s2)CC1 1392866 RBRHFBNITUQHLG-UHFFFAOYSA-N 402.972 5.448 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)cc1 1413937 HHEGRQLBIHDWOF-UHFFFAOYSA-N 400.478 6.071 0 40 HKAB Fc1ccc(NC(=S)N2CCS[C@H]2c2ccc(Br)s2)cc1 1441320 CKAQPKHHHBPMPH-ZDUSSCGKSA-N 403.367 5.094 0 40 HKAB COc1cccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)c1 1447704 NVWDXCBJDFFWBM-UHFFFAOYSA-N 406.489 6.148 0 40 HKAB CC(C)Oc1ccc([C@H](CCN[C@H](C)c2ccc(Cl)cc2)c2ccccc2)cc1 1818143 FSUDPOHGCXEWQQ-FQRUVTKNSA-N 407.985 7.000 0 40 HKAB biogenic CCCCCCc1c(C)c2ccc(O[C@H](C)C(=O)c3ccccc3)c(C)c2oc1=O 2119174 OWDFCCXBJJHINM-LJQANCHMSA-N 406.522 6.183 0 40 HKAB biogenic CCOc1ccccc1/C=C1/SC(=O)N(CNc2cccc(C(F)(F)F)c2)C1=O 2120214 JAOFFAWTTMHEAY-LICLKQGHSA-N 422.428 5.210 0 40 HKAB Fc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 2145660 PAZICGQKDJSIES-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB Cc1ccc([C@@H](NC(=O)N[C@@H](C)c2ccccc2)C(Cl)(Cl)Cl)cc1F 3174706 LKGCVUIDLOLTOM-BLLLJJGKSA-N 403.712 5.606 0 40 HKAB c1ccc2c(c1)n(CCN1CCCCC1)c1nc(C34CC5CC(CC(C5)C3)C4)cn21 4109395 RWMHZEVUSJWMOH-UHFFFAOYSA-N 402.586 5.243 0 40 HKAB Cc1cccc(C(=O)Nc2sc3c(c2C(=O)c2ccc(Cl)cc2)CCCC3)c1 4129680 VPDZKQRSMIVSID-UHFFFAOYSA-N 409.938 6.072 0 40 HKAB C[C@H]1CCc2sc(NC(=O)c3ccccc3Oc3ccccc3)c(C(N)=O)c2C1 4177449 SFUBMOPVBIYUSI-AWEZNQCLSA-N 406.507 5.016 0 40 HKAB O=C(COc1ccc(CNc2ccccc2)cc1Br)Nc1ccccc1 4741060 JGZAUGVFNZTQBD-UHFFFAOYSA-N 411.299 5.079 0 40 HKAB Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)CC12CC3CC(CC(C3)C1)C2 5016011 FWCOAJBIRMFPKV-UHFFFAOYSA-N 421.570 5.015 0 40 HKAB Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(F)cc4)cc2-3)OCO5)cc1 5028610 XBFHXVMUBWFPBT-UHFFFAOYSA-N 411.436 5.428 0 40 HKAB CSc1cccc2sc(Nc3nc4ccc5sc(C)nc5c4s3)nc12 5122833 NYTCCPPPHQACEC-UHFFFAOYSA-N 400.579 6.290 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 5420612 ALRFMDMFYIZOOW-UHFFFAOYSA-N 422.912 6.024 0 40 HKAB O=c1[nH]c2ccc(NCc3cn(Cc4ccccc4Cl)c4ccccc34)cc2[nH]1 5616607 CRQPJVDKNJIAOJ-UHFFFAOYSA-N 402.885 5.125 0 40 HKAB O=C(O)COc1ccccc1/C=C/c1ccc2cccc(OCc3ccccc3)c2n1 5900532 YJUNAUKBNYBNBC-FYWRMAATSA-N 411.457 5.448 0 40 HKAB O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)c1ccc(Cl)cc1 5999719 NYRYUQAORGGBLL-UHFFFAOYSA-N 406.821 5.081 0 40 HKAB biogenic CCc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 6063723 HIWJKNRHZKIENK-UHFFFAOYSA-N 410.473 5.260 0 40 HKAB COc1ccc2c(c1)C(c1ccc(C(F)(F)F)cc1)=NNC(c1ccc(F)cc1)=N2 6200086 KWGGDNMWPMPWDU-UHFFFAOYSA-N 413.374 5.287 0 40 HKAB CCCCOc1ccc(-c2nnc(-c3sc4cc(Cl)ccc4c3Cl)o2)cc1 6481112 RKCWLPYPXRBPJP-UHFFFAOYSA-N 419.333 7.104 0 40 HKAB Cc1ccc2nc(-c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3Cl)oc2c1 6866982 AGCBVSJZZUCLCS-UHFFFAOYSA-N 406.825 5.438 0 40 HKAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)c1 6965014 HXWARHJLUADNIY-LPYMAVHISA-N 413.502 5.202 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1 7061280 BRWVYMFGYWZJKV-ZDUSSCGKSA-N 417.336 6.381 0 40 HKAB CCc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)C(C(=O)OC)=C2C)cc1 8085564 QTLXRQMOZBWFAM-BOPFTXTBSA-N 416.304 5.433 0 40 HKAB CCOc1cc(CNC(C)(C)C)cc(Br)c1OCc1ccc(F)cc1 8253969 GDAPBNUZHQYTSF-UHFFFAOYSA-N 410.327 5.454 0 40 HKAB COc1ccc(Oc2c(C)n[nH]c2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1 8741087 DAIZGRYWSJIACY-UHFFFAOYSA-N 420.440 5.610 0 40 HKAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(CN2CCCC2)cc1 10365631 SLJMSDFOLRFLCR-UHFFFAOYSA-N 423.409 5.252 0 40 HKAB Cc1ccc(Cc2cnc(NC(=O)CCc3ccc(-c4ccc(C)cc4)o3)s2)cc1 11690453 ZLXVDYOYGKFNEZ-UHFFFAOYSA-N 416.546 6.182 0 40 HKAB Cc1cc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccco3)c2cc1Cl 11865179 KAPQFDHXYJEMSO-UHFFFAOYSA-N 419.820 6.013 0 40 HKAB biogenic O=c1c2c(-c3ccco3)csc2nc(SCc2cccnc2)n1-c1ccccc1 12545646 ZGGJFPKRSRXFEL-UHFFFAOYSA-N 417.515 5.395 0 40 HKAB C[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1cccc(Cl)c1 12803869 RTBXCFZSYSABFR-KRWDZBQOSA-N 420.940 5.223 0 40 HKAB Cc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)N1C[C@@H](C)C[C@@H](C)C1 12820995 HJHLKHVJUPOYPS-XLAORIBOSA-N 400.567 5.015 0 40 HKAB O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccccc1C(F)(F)F 12978506 GMQGMPRKMOWQCC-UHFFFAOYSA-N 416.321 5.325 0 40 HKAB Cc1cc(SCc2ccc(C(=O)O)cc2)nc(SCc2ccc(Cl)cc2)n1 13401544 ASYRMEHCLCESNN-UHFFFAOYSA-N 416.955 5.721 0 40 HKAB CCc1cc(I)ccc1NC(=O)c1ccc(OCC(C)C)cc1 17093459 AYMIVOAGEGXPHU-UHFFFAOYSA-N 423.294 5.141 0 40 HKAB C[C@H](CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccc(Oc2ccccc2)cc1 18093730 CRGQFPWXDKUFPX-QGZVFWFLSA-N 406.457 5.612 0 40 HKAB c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCN(Cc4ccccn4)C3)n2)cc1 19373142 CJWSCPLFTVZMED-OAQYLSRUSA-N 422.536 5.057 0 40 HKAB Cc1noc(C)c1Cc1c(C(=O)Nc2ccc(-c3cccc(F)c3)cc2)noc1C 19580982 XDOURTPTWYIATN-UHFFFAOYSA-N 405.429 5.237 0 40 HKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 20484975 JAMPTXFPJBBODP-XMMPIXPASA-N 416.521 5.030 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 20610671 FSYXGGQGIRDPEM-UHFFFAOYSA-N 414.509 5.178 0 40 HKAB Cc1cccc([C@@H]2CC(=O)c3c(C)nc(Nc4nc(C)c5ccccc5n4)nc3C2)c1 20634875 DNZWCTAKLIYNPF-SFHVURJKSA-N 409.493 5.001 0 40 HKAB CCSc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CC(C)(C)OC3 20813464 YDRXBWIHRSSQJB-UHFFFAOYSA-N 414.600 5.193 0 40 HKAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)Nc1ccc(Cl)cc1 22907657 XPZIIYXZNNHRDR-FQEVSTJZSA-N 411.958 5.323 0 40 HKAB CCOc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccccc1 27831529 UQCIAPIQPZFESH-STZFKDTASA-N 417.436 5.148 0 40 HKAB Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(C)c1ccccc1 40114910 NCKSKKWKRHNJEU-UHFFFAOYSA-N 402.878 5.378 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 44937238 DPULBXZNXOCJFP-RUZDIDTESA-N 408.586 5.119 0 40 HKAB CCOC(=O)c1cc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)ccc1Cl 44939697 DVLHFQYACVDYFD-UHFFFAOYSA-N 414.933 5.001 0 40 HKAB CCOC(=O)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Br)nc2c1 45919907 CKOZYBORPYOYQN-UHFFFAOYSA-N 415.070 5.741 0 40 HKAB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc(Cl)c1 59268848 SHGAJWOARZDPME-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(OCc2ccccc2Cl)cc1 59507291 YTJDTDUVSZJZES-BKUYFWCQSA-N 424.283 5.917 0 40 HKAB Cc1c(C(=O)Nc2cc(F)c(N(C)C)c(F)c2)sc2nc(C(F)(F)F)ccc12 65529827 WVRPPMKJMPKZLA-UHFFFAOYSA-N 415.387 5.220 0 40 HKAB CC(C)c1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)cc1 67292792 ARCFQZFWVWKLKY-XFMXRJAISA-N 424.928 5.351 0 40 HKAB CC(C)CN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)c2ccccc2)nc1 72215824 NDYAUYQDFQXWKI-JOCHJYFZSA-N 409.574 6.338 0 40 HKAB CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)SC1=Nc2ccccc2CS1 84001953 MNIASSZNGDOTLK-ZDUSSCGKSA-N 410.520 5.630 0 40 HKAB CC1(C)CC2=Nc3nc(SCc4ccccc4)nn3[C@H](c3ccncc3)C2=C(O)C1 102749747 WCGHSDDOPSGKQX-HXUWFJFHSA-N 417.538 5.273 0 40 HKAB COc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(Cl)c1 107035466 CYJHZCZBGYPFIZ-UHFFFAOYSA-N 416.348 6.810 0 40 HKAB C[C@H]1CCCCN1Cc1cccc(NC(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)c1 141577191 INHKZFLYOYQPJG-AWEZNQCLSA-N 416.447 5.208 0 40 HKAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2)n1 170564506 NUIIVDVRDOAPOO-UHFFFAOYSA-N 410.477 5.882 0 40 HKAB CC(C)c1ccc(CN2CCCC[C@@H]2C[C@@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 222014095 CGJGZEUKMNJJMJ-ILBGXUMGSA-N 421.629 5.853 0 40 HKAB Cc1c([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n(-c2ccccc2)c1C 222943960 SFWBHZFQWOZVAG-RPWUZVMVSA-N 418.610 5.426 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1Cc1ccccc1 223404197 FWBWGZCBQMZSET-RPWUZVMVSA-N 416.594 5.561 0 40 HKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 223792796 KGQQSSCYOWBXDT-FGZHOGPDSA-N 420.582 5.214 0 40 HKAB Cc1cc(C)cc(OCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 224097857 QZCXQFVWJUURGE-UHFFFAOYSA-N 409.913 5.345 0 40 HKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1 224328361 BXFDONQDSCLSBS-ZEQRLZLVSA-N 416.594 5.574 0 40 HKAB CC[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(OC)c(C)c1 224833445 YOAWTMGUAUASAT-JOCHJYFZSA-N 405.563 6.177 0 40 HKAB CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224930493 YHJNUXAZXLTINP-UHFFFAOYSA-N 408.306 5.611 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)c1 225561485 HIXSVWOAINQLNA-IBGZPJMESA-N 401.506 5.755 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@H](C)C3)cc2)CCCCCC1 225711380 ITZAQOKKFJBDSV-SFTDATJTSA-N 416.606 5.111 0 40 HKAB CCn1c(S/C(=C\c2ccccc2Cl)C(=O)O)nnc1-c1ccc(Cl)cc1 408633661 LJLIDMMWQOCELT-WJDWOHSUSA-N 420.321 5.490 0 40 HKAB O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1CNc1cccc(Cl)c1 408719505 MUXYUPIMUSPFTR-OVCLIPMQSA-N 423.719 5.208 0 40 HKAB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1ccc(Cl)cc1 408838964 KWZJDKHYEFUZQF-NTUHNPAUSA-N 408.693 6.206 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(Cl)c1O[C@@H](C)CC 409018980 ZSQZNIXNXXLJRD-VYBPFTPOSA-N 411.951 5.751 0 40 HKAB CCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)cc(Br)c1OCC 409122501 ZWRHVXYXRFOAQZ-WJDWOHSUSA-N 416.315 5.154 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2nc3c(c(N)c12)C(=O)C[C@@H](c1ccc(F)cc1)C3 1548338342 MMPZHLJERRCMCS-AWEZNQCLSA-N 420.875 5.016 0 40 HKAB Cc1ccc(Oc2ccc(-c3noc(-c4cncc(Br)c4C)n3)cc2)cc1 1615610701 MPGVALYKHPSZRV-UHFFFAOYSA-N 422.282 5.970 0 40 HKAB COc1ccc(C(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)cc1 756764 BZVGLLDDIKGWEU-UHFFFAOYSA-N 420.559 5.725 0 40 HKAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(Br)cc4)c3)nc2c1 989867 FBVCPDSZJBEOKN-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)SC1=S 1188781 VZOJWNDHAJXBGF-PDGQHHTCSA-N 401.940 5.306 0 40 HKAB Cc1cccc(N(C(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 1376093 AZESQUPCQSSVJK-QHCPKHFHSA-N 418.562 5.503 0 40 HKAB O=C(NC1CCCC1)[C@H](c1ccccc1F)N(C(=O)c1ccco1)c1ccccc1F 1380119 MHWSJRWXDQKRLZ-QFIPXVFZSA-N 424.447 5.005 0 40 HKAB Cc1c(CNC(=O)c2ccccc2Cl)c(-n2cccc2)n(Cc2ccccc2)c1C 1398800 XXNSXPYQRLEKHA-UHFFFAOYSA-N 417.940 5.527 0 40 HKAB COc1ccccc1NC(=S)NCC[C@@H]1[C@@H](c2c(C)[nH]c3ccccc23)C1(C)C 1404489 SZVVNAMIEFMNIP-VGSWGCGISA-N 407.583 5.601 0 40 HKAB CCCCCC(=O)NC(=S)Nc1ccc2nn(-c3ccc(CCCC)cc3)nc2c1 2052149 UHDYMIOEYLQWHP-UHFFFAOYSA-N 423.586 5.156 0 40 HKAB CC(C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)cc2Cl)cc1 2059644 AFPJJTBOHAPZQS-JOCHJYFZSA-N 411.332 6.888 0 40 HKAB Cc1ccc(-n2c(N)c(C(=O)Nc3cc(C)ccc3C)c3nc4ccccc4nc32)cc1 2370706 XKXSGYLOOBGELI-UHFFFAOYSA-N 421.504 5.333 0 40 HKAB S=C(SCSc1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 2410537 XKVUQFQRZYIAAY-UHFFFAOYSA-N 417.650 5.186 0 40 HKAB C[C@H](NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1 2644438 PXWGMONQRGUONP-HNNXBMFYSA-N 405.548 5.328 0 40 HKAB Cc1sc2ncn3nc(-c4ccc(COc5ccc(Cl)cc5)o4)nc3c2c1C 2791185 JCENTVXTDAFCON-UHFFFAOYSA-N 410.886 5.448 0 40 HKAB O=C(Nc1ccccc1Cc1ccccc1)c1ccccc1OCc1ccc(F)cc1 3281495 MFAJSCURDAIJIQ-UHFFFAOYSA-N 411.476 6.248 0 40 HKAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OCc2nc3ccccc3s2)cc1 3284755 WQUAJFIOZJZJSK-UHFFFAOYSA-N 424.547 5.091 0 40 HKAB COc1cc2c(cc1NC(=O)CN1CC=C(c3ccccc3)CC1)oc1ccccc12 3323710 SKIGKTRXACCCQJ-UHFFFAOYSA-N 412.489 5.322 0 40 HKAB O=C(CN[C@@H]1CCCc2ccccc21)Nc1cc(Cl)ccc1Oc1ccccc1 3354955 LCQPPQCOCDIGLU-OAQYLSRUSA-N 406.913 5.738 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1C 3404676 GPSAWWSGWSTGLG-UHFFFAOYSA-N 415.518 5.877 0 40 HKAB O=c1[nH]c(CSc2nc3ccccc3s2)nc2scc(-c3ccccc3)c12 3867087 SFBAQUVVVBOPOE-UHFFFAOYSA-N 407.545 5.554 0 40 HKAB CC1=C(C)C[C@](C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)(c2ccccc2)[S@@](=O)C1 4114092 FLFUPAMWVHIQBX-SHXTYIBYSA-N 402.600 5.375 0 40 HKAB CCc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1 4195754 YMXNFTCCIJIDSH-UHFFFAOYSA-N 402.519 5.852 0 40 HKAB COc1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl 4746437 SEIDVUUCRUFOMY-UHFFFAOYSA-N 400.261 5.485 0 40 HKAB C[C@H](Nc1ccccc1)[C@H]1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1 5160709 RJOCGTBCVRCQJS-USCONSEESA-N 404.897 5.114 0 40 HKAB Cn1c(NC(=O)Cc2cccs2)c(-c2cccc(Cl)c2)c(=O)c2ccccc21 5206402 YLXSKLDSFWSLRC-UHFFFAOYSA-N 408.910 5.102 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2-c2ccccc2)c1 5394558 FGIXPBLDQHZMKM-UHFFFAOYSA-N 418.497 5.113 0 40 HKAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1nnc(-c2ccccc2)o1 5396885 LWDZHPCXXIMWFP-CYBMUJFWSA-N 409.540 5.169 0 40 HKAB CC(=O)N(CC[C@H](c1ccc(F)cc1)c1ccc(OC(C)C)cc1)Cc1ccccc1 5478161 OIKSDJBYBRZNAG-HHHXNRCGSA-N 419.540 6.184 0 40 HKAB CCCOC(=O)c1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 5864477 IVQCSYIZRGKTJH-UHFFFAOYSA-N 412.283 5.421 0 40 HKAB CCc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2)cc1 5887974 QRJBKHDKWOJYQD-KRWDZBQOSA-N 414.534 5.255 0 40 HKAB O=C1Nc2ccccc2/C1=C\c1cn(Cc2c(F)cccc2Cl)c2ccccc12 7098656 PCWQUAWSGLKJGC-LDADJPATSA-N 402.856 5.975 0 40 HKAB COc1ccccc1N(C(=O)[C@H]1CC=CCC1)c1nc(-c2ccc(C)cc2)cs1 7737940 HXGBUSOEANPVSI-IBGZPJMESA-N 404.535 6.148 0 40 HKAB Cc1ccc2nc(CSc3nnc(Cc4cccs4)n3C3CCCCC3)cn2c1 8135664 MVOCPIJKXQCFDR-UHFFFAOYSA-N 423.611 5.684 0 40 HKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H](C)c2cccs2)cc1 8156889 FLSUYRNARQZJRE-MRXNPFEDSA-N 404.535 5.715 0 40 HKAB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccc(Oc2ccccc2)cc1 8190169 OIELGZOUAXBIJU-UHFFFAOYSA-N 408.508 5.056 0 40 HKAB Clc1ccc(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2cccs2)cc1 8397977 WHBHAKRPAHRKIC-GOSISDBHSA-N 417.759 6.520 0 40 HKAB CCOc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(Cl)cc2)cc1 8476368 BNQLSBPWVXFQMS-UHFFFAOYSA-N 424.932 5.049 0 40 HKAB Cc1cc2nc(-c3cc4cc(Cc5ccccc5Cl)ccc4oc3=O)[nH]c2cc1C 9235464 IQPCIGOLFXPCJQ-UHFFFAOYSA-N 414.892 6.197 0 40 HKAB CCOc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3Cl)no2)cc1 9346332 UELXVAFJPUMKFB-UHFFFAOYSA-N 419.868 5.708 0 40 HKAB COCCn1c(-c2ccc(Cl)cc2)cnc1NCc1ccc(Br)cc1 9851264 UVPRLJHXMWLSLY-UHFFFAOYSA-N 420.738 5.225 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(Cl)cc2)OC3=O)c1 11689832 ZBYSNVPUGZKZSN-QFIPXVFZSA-N 405.881 5.663 0 40 HKAB CCOc1ccc([C@@H]2Oc3c(OCC)cccc3[C@H]3CC(c4ccc(C)o4)=NN23)cc1 12196247 BAZVQJYTTJQAQG-BWKNWUBXSA-N 418.493 5.628 0 40 HKAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccccc1Cc1ccccc1 12546403 KCHNUFSHAYVGOK-UHFFFAOYSA-N 409.411 5.285 0 40 HKAB O=C(CN1CCC[C@H]1c1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 12554123 AEJQXUOHVDFWLI-SFHVURJKSA-N 423.504 5.143 0 40 HKAB FC(F)(F)c1nc(SCc2nc(-c3ccccc3Cl)no2)c2ccccc2n1 12569552 CRGZGMPGIYRGFN-UHFFFAOYSA-N 422.819 5.644 0 40 HKAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(F)cc3Cl)c3ccccc3C2=O)c(C)c1 12651869 HELRUSLHISLDRI-UYRXBGFRSA-N 420.871 5.736 0 40 HKAB O=C(CCc1nc(-c2cccs2)no1)N1CCCC[C@H]1c1nc2ccccc2s1 12697644 OEJFPJLLGGWEPL-HNNXBMFYSA-N 424.551 5.094 0 40 HKAB O=C(c1ccccc1Br)N1CCC[C@H](c2nc3ccccc3s2)C1 12974093 RNKPZVPEMFRQFN-ZDUSSCGKSA-N 401.329 5.079 0 40 HKAB CC(C)c1ccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)cc1 13042170 IROCRZWQXBCWLG-UHFFFAOYSA-N 422.525 5.932 0 40 HKAB COCCn1c(-c2cccc(OC)c2)cn2c(-c3ccccc3)c(-c3ccccc3)nc12 13810851 ZHEZDVACJNDHCO-UHFFFAOYSA-N 423.516 5.792 0 40 HKAB CCSc1cccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1 15880247 HEFRAIGNVMYYKS-UHFFFAOYSA-N 409.580 5.066 0 40 HKAB Fc1ccc(CCNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 16401401 UZRKNWJLJCANLR-UHFFFAOYSA-N 404.312 6.044 0 40 HKAB CC1(C)[C@H](C=C(Br)Br)[C@H]1C(=O)Oc1cccc2ccccc12 16577175 LCWOCTSWSRGYOZ-CJNGLKHVSA-N 424.132 5.649 0 40 HKAB CCc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 17091769 YUSBQLBQHWZAQT-UHFFFAOYSA-N 419.333 5.943 0 40 HKAB COc1cc(NC(=O)c2ccc(OCC(C)C)cc2)ccc1NC(=O)c1cccs1 17094021 DETFMAZTMZHDMF-UHFFFAOYSA-N 424.522 5.296 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1ccc(Cl)c(C(=O)O)c1 20150966 KNWMRGGCFHQSMD-JXMROGBWSA-N 402.233 5.604 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H](c1ccccc1)c1ccccc1C 20485068 JVAPYGNZANPTFB-AHKZPQOWSA-N 409.529 6.211 0 40 HKAB O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)c1cccc(Cl)c1 20530552 GFCHPWISPCBXCG-UHFFFAOYSA-N 421.909 5.935 0 40 HKAB O=C(CNc1ccccc1Oc1ccccc1)Nc1c(Cl)cccc1C(F)(F)F 24040533 ARQNYLSGPGRCHW-UHFFFAOYSA-N 420.818 6.202 0 40 HKAB CC(C)Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc4c(c3)OCO4)o2)cc1 25010408 OETPPILXDMERHW-KRWDZBQOSA-N 420.509 5.079 0 40 HKAB C[C@H](Sc1nnc(COc2ccc(Cl)cc2)o1)c1nnc(-c2cccs2)o1 26433299 PHBXHVKXWPWDPH-JTQLQIEISA-N 420.903 5.267 0 40 HKAB O=C(Nc1nncs1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 28539353 BQFZSLYSMXJIMB-UHFFFAOYSA-N 409.474 5.068 0 40 HKAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)[C@@H]3CCCc4ccccc43)cc2)o1 29259129 SEKYNHRCAGJIGS-XMMPIXPASA-N 423.516 5.862 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C1CC1 32604140 DXGPSDWKRCHUQH-UHFFFAOYSA-N 416.909 5.112 0 40 HKAB Cc1ncc(NC(=O)/C=C/c2ccccc2)n1-c1nc(-c2ccc(F)cc2)cs1 32615946 JOIFUBRMEWEMCR-KPKJPENVSA-N 404.470 5.095 0 40 HKAB O=C(NCCC1=CCCCC1)c1nc(SCc2ccccc2F)ncc1Cl 32622426 XGFFNJIPOAWBCH-UHFFFAOYSA-N 405.926 5.182 0 40 HKAB O=C(Cn1ccc2cc(OCc3ccccc3)ccc21)NCCc1c[nH]c2ccccc12 40309613 IWIDFECJOBYMRO-UHFFFAOYSA-N 423.516 5.061 0 40 HKAB biogenic CSc1ccccc1CN1CCC(CNC(=O)Nc2ccccc2Cl)CC1 43991701 UVIPUEGLKCLNMY-UHFFFAOYSA-N 403.979 5.096 0 40 HKAB O=C(CSCc1c(F)cccc1Cl)NCc1ccc(CN2CCCCC2)cc1 44873447 TXRLVMLBCAFSHC-UHFFFAOYSA-N 420.981 5.015 0 40 HKAB CCCCNC(=O)c1sc2c(cnc3ccc(Cl)cc32)c1-c1ccc(CC)cc1 45943974 NNKGQDYOVQFRHD-UHFFFAOYSA-N 422.981 6.862 0 40 HKAB CC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@@H]1c1ccccc1 58196788 PAZLGNKQXBWOQY-RUZDIDTESA-N 405.501 5.908 0 40 HKAB Cc1cccc(-n2nc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3c2=O)c1 64949765 ZRBQFFIHGBVZQZ-UHFFFAOYSA-N 414.852 5.065 0 40 HKAB Cc1cc(C)c(-c2csc(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)n2)cc1C 69370191 MXDLORQDOGECFC-UHFFFAOYSA-N 420.563 5.836 0 40 HKAB Cc1cccc(OCC(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)c1 72228771 RUZMKBCOZQYRMT-UHFFFAOYSA-N 420.538 5.042 0 40 HKAB O=C(CCc1ccccc1)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349046 NBECVKNJSQHTHH-JOCHJYFZSA-N 402.513 5.150 0 40 HKAB Cc1csc(Nc2cccc([C@@H]3CCCN3Cc3ccc4ncccc4c3)n2)n1 72375357 PADCOQFEVOFYFF-NRFANRHFSA-N 401.539 5.475 0 40 HKAB Cc1cc(NC(=O)C2=C(Cl)CCCC2)c(C)cc1NC(=O)C1=C(Cl)CCCC1 84077354 UBACLGFWCMSSFR-UHFFFAOYSA-N 421.368 6.314 0 40 HKAB Brc1ccc(-c2n[nH]c(SC(c3ccccc3)c3ccccc3)n2)cc1 95116150 YTYLBHDPBQGXKX-UHFFFAOYSA-N 422.351 6.116 0 40 HKAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)c1ccccc1C(=O)OCC(F)(F)C(F)F)C2 100400895 LITJOVYGBCQFMZ-VHPWJVAPSA-N 416.411 5.115 0 40 HKAB COc1ccc([C@H]2CC3=Nc4nc5ccccc5n4[C@H](c4ccco4)C3=C(O)C2)cc1 102580802 CKHGRVWZCFELCM-UPCLLVRISA-N 411.461 5.703 0 40 HKAB COc1ccc(-c2csc(C3=C(O)CN(Cc4ccccc4Cl)C3=N)n2)cc1 102716818 YMOIUGKBTMWUKU-UHFFFAOYSA-N 411.914 5.234 0 40 HKAB O=C1S/C(=C\c2cc(Br)ccc2O)C(=O)N1Cc1ccc(Cl)cc1 106686429 BKWKYOZWPZKURS-NVNXTCNLSA-N 424.703 5.045 0 40 HKAB Cc1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2c1CCC2 107736300 GBZVNBBPYLVFNS-UHFFFAOYSA-N 405.548 5.195 0 40 HKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)c(C)c1 222979066 CQEOXIWYYVVEPE-PKTZIBPZSA-N 404.583 5.262 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2)cc1 223403622 FXMITRPMKCFYHQ-NRFANRHFSA-N 403.591 6.704 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccccc1C(C)(C)C 224170934 XTAYSBLYQDIUDV-UHFFFAOYSA-N 419.521 5.833 0 40 HKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)cc1 224242589 GNZLFXBXKAYUIB-RPBOFIJWSA-N 424.573 5.666 0 40 HKAB CC(C)CSc1nnc(NC(=O)CSCc2ccc(Cl)cc2Cl)s1 224420643 ACLLXXPHNZMPIN-UHFFFAOYSA-N 422.428 5.465 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COCc1ccccc1 224748285 LQFUROUPCHKNNL-UHFFFAOYSA-N 413.876 5.847 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COCc1ccccc1 224749694 IKDRCGXXRDQEND-UHFFFAOYSA-N 407.535 5.776 0 40 HKAB O=C(O)[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1ccc(Cl)cc1 225133472 GIDWTKVEMGZEDI-HXUWFJFHSA-N 403.261 5.860 0 40 HKAB CC(C)C(NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)C(C)C 225328014 FPCJHDSBZUPGAZ-UHFFFAOYSA-N 410.627 6.182 0 40 HKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(Br)cc1)c1ccccc1 225503202 NZRPIYCTHPXSAW-HXUWFJFHSA-N 411.368 5.834 0 40 HKAB COc1ccc(-c2nnsc2C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 225762568 ICCBLJPECJKTIN-UHFFFAOYSA-N 417.490 5.045 0 40 HKAB CCCCc1ccc(C[C@]2(C)CCc3ccc(-c4ccccc4C(=O)O)cc3O2)cc1 257293669 QQQIQTSCUUTGAK-NDEPHWFRSA-N 414.545 6.721 0 40 HKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 257325683 WTZRQRDAUPUKRY-OAQYLSRUSA-N 409.533 5.487 0 40 HKAB COc1cc(C(=S)N2CCCCC2)ccc1OCc1c(Cl)cccc1Cl 408578633 ZJSGVCMMOQIXOC-UHFFFAOYSA-N 410.366 5.742 0 40 HKAB CCOc1cc(-c2nc(O)c3c(C)c(C)sc3n2)ccc1OCc1ccccc1 408734822 KJHPDROLENAZAK-UHFFFAOYSA-N 406.507 5.658 0 40 HKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)c2ccccc21 409122520 ZCMQRVPLKVXYHC-KQWNVCNZSA-N 413.517 5.880 0 40 HKAB CCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O 409238962 XQLHTOBVCMDKBL-WOJGMQOQSA-N 422.333 6.019 0 40 HKAB Cc1ccc(-n2cc(C(c3c[nH]c4ccccc34)c3c[nH]c4ccccc34)nn2)cc1 1857771120 CAAPAWAIUQZUQD-UHFFFAOYSA-N 403.489 5.719 0 40 HKAB O=C(C1=CCCCC1)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 2037845949 IIEZVQUWYARREX-GOSISDBHSA-N 420.944 5.256 0 40 HKAB COc1cccc(NC(=O)c2cc(-c3ccc(OC)cc3OC)nc3ccccc23)c1 670951 WGIZVTUIOGPDLK-UHFFFAOYSA-N 414.461 5.180 0 40 HKAB COc1ccccc1OCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 848370 XACMBWXHGKUHLU-UHFFFAOYSA-N 423.321 5.067 0 40 HKAB Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)c(C)c4)c3n2)cc1 848666 LJPRDTFQKCZPII-UHFFFAOYSA-N 424.426 5.593 0 40 HKAB O[C@@H](CNc1ccccc1Cl)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 862361 IHHSWIHPICYDLT-HNNXBMFYSA-N 419.739 6.228 0 40 HKAB CCOC(=O)c1oc2cc(O)c(CC)cc2c(=O)c1-c1csc(-c2ccccc2)n1 1014121 GEQNEXVTPOFQQD-UHFFFAOYSA-N 421.474 5.028 0 40 HKAB CC(C)(C)c1ccc(OCc2nnc(NC(=O)c3ccc(Cl)cc3)s2)cc1 1063213 BAZJPAWOUMWIMH-UHFFFAOYSA-N 401.919 5.320 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccnc2)N2CCC(C)CC2)c1C 1298410 UJCGOLRFDJMVIE-QHCPKHFHSA-N 419.594 5.834 0 40 HKAB Cc1cc(C)c2cc(CN(C(=O)Nc3ccccc3Cl)C3CCCC3)c(=O)[nH]c2c1 1371237 UCODITGYMNDILM-UHFFFAOYSA-N 423.944 5.775 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c(C)c1 2594762 FAEIODUTNVSEAA-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(F)cc4F)c3n2)cc1 2770206 ZSBBXCYXONQWDC-UHFFFAOYSA-N 414.362 5.173 0 40 HKAB COc1ccc(C(=O)[C@@H](Sc2nnc(-c3ccco3)o2)c2ccc(OC)cc2)cc1 3252465 KRZSSNTZCXVHGB-FQEVSTJZSA-N 422.462 5.063 0 40 HKAB O=C(CSc1ccc2ccccc2c1)O[C@H](C(=O)c1ccccc1)c1ccccc1 3271877 SGZXYEJYFSVPHL-SANMLTNESA-N 412.510 6.099 0 40 HKAB CCCCOP(=O)(OCCCC)[C@@H](Nc1ccc(CC)cc1)c1ccccc1 4173966 XHPYJQIJTHHYFK-HSZRJFAPSA-N 403.503 7.186 0 40 HKAB C[C@H](SCc1ccccc1)C(=O)NCCSCc1c(Cl)cccc1Cl 4545803 QOWSXBHOEKSJQD-AWEZNQCLSA-N 414.423 5.665 0 40 HKAB Cc1ccc2nc(Nc3nc(C)c(Cc4ccc(C(C)C)cc4)c(=O)[nH]3)nc(C)c2c1 4737087 ZNCKFLOEGGBPOS-UHFFFAOYSA-N 413.525 5.096 0 40 HKAB COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(C)c(C)c4)c3n2)cc1 4740008 BXYYJDUOCSBRNM-UHFFFAOYSA-N 411.427 6.040 0 40 HKAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c(C)s1 5313409 REXOSQAXIZYTLV-UHFFFAOYSA-N 409.536 5.240 0 40 HKAB CCOc1ccccc1OCCCC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 6606559 SDQNWQLHDSIXAR-HSZRJFAPSA-N 413.514 5.351 0 40 HKAB COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)c1 6642185 NGTYIDRNJTUKEY-RLBMAAIXSA-N 407.554 5.085 0 40 HKAB CCOc1ccc(C(=O)Oc2cc(-c3cccc(C)c3)c3oc(=O)sc3c2)cc1 6809713 VDNYIHFUBLNCJT-UHFFFAOYSA-N 406.459 5.448 0 40 HKAB CCOc1cc(CNCc2ccccn2)ccc1OCc1ccc(Cl)cc1Cl 6870257 HYOGFXBZFOBJND-UHFFFAOYSA-N 417.336 5.656 0 40 HKAB CCOc1ccc(-n2c(S[C@@H](C)c3ccccc3)nnc2-c2ccc(C)cc2)cc1 6910671 FZDRCKWNRRRKMB-IBGZPJMESA-N 415.562 6.495 0 40 HKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2ccccn2)cc1 7504517 HKFNRIUFEJRNJD-QFIPXVFZSA-N 400.869 5.183 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8093735 FQBGQEUDWSDHDQ-GOSISDBHSA-N 416.550 5.119 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc5ccccc45)cc3)nc2c1 8196714 NIJFEKSGXPWYTC-GOSISDBHSA-N 420.512 7.414 0 40 HKAB O=c1ccc(-c2ccccc2F)c2n1C[C@H]1C[C@@H]2CN(Cc2cc3ccccc3o2)C1 8300317 XRYVCGXZOGATIA-PKOBYXMFSA-N 414.480 5.020 0 40 HKAB biogenic,in-vitro CCOc1cccc(C(=O)Nc2nnc(COc3ccc([C@H](C)CC)cc3)s2)c1 8739455 SANVAUIMXJDUFG-OAHLLOKOSA-N 411.527 5.282 0 40 HKAB COc1ccccc1-c1c(-c2ccc(OCc3ccc(C)cc3)cc2O)n[nH]c1C 8743910 NHGPAMCXDKVCDF-UHFFFAOYSA-N 400.478 5.654 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1cccc(Cl)c1 9307111 HOUASNCCMDWLAC-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB COc1ccc(/C=C(\Cl)c2nc3sc(C)c(-c4ccccc4)c3c(=O)[nH]2)cc1O 9493583 VGPIVFAWKRFIOG-GDNBJRDFSA-N 424.909 5.411 0 40 HKAB Cc1cc(C)c2c(N)c(C(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)sc2n1 11692825 BCKPNMJFGFIWMP-UHFFFAOYSA-N 417.317 6.293 0 40 HKAB CCCCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2c2ccc(C)cc2)c2ccccc21 12420097 SQAXVLMWOCCYKI-AREMUKBSSA-N 411.505 5.067 0 40 HKAB O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccc(F)c(Cl)c1 12653355 GKRUDFCSHQDDCJ-UHFFFAOYSA-N 411.889 5.549 0 40 HKAB O=C(c1cc(F)ccc1Br)N1CCC(c2nc3ccccc3s2)CC1 12855795 JJDVLMNWUQGRLZ-UHFFFAOYSA-N 419.319 5.218 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(CNCc3ccc(OC(F)(F)F)cc3)c2)cc1 12975568 YIHQIAODWHPNPE-UHFFFAOYSA-N 414.427 5.436 0 40 HKAB CN(Cc1ccccc1Cl)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 13021964 RJWOMMLUFGQEMS-UHFFFAOYSA-N 420.940 5.004 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 13282385 QMQIDJIRXPELEO-UHFFFAOYSA-N 407.857 5.584 0 40 HKAB C[C@@H](NC(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1)c1cc2ccccc2o1 14075428 RAHRZHHUSUJOLR-SJLPKXTDSA-N 419.550 5.099 0 40 HKAB C/C=C/CSc1nc2sc3c(c2c(=O)n1-c1ccc(OCC)cc1)CCCC3 15554140 RIRJXKDYFGRUCF-HWKANZROSA-N 412.580 5.393 0 40 HKAB COc1ccccc1C(=O)Nc1ccc2c(C)c(C(=O)c3ccc(Cl)cc3)oc2c1 15729379 WXYWSJRNIQIROM-UHFFFAOYSA-N 419.864 5.887 0 40 HKAB biogenic CCCCn1nc(NC(=O)c2ccc(Cl)cc2)c2cc3cc(OC)ccc3nc21 16956304 LMFIAUBQAOUCCV-UHFFFAOYSA-N 408.889 5.299 0 40 HKAB Cc1nc(COc2cccc(C(=O)N(C)Cc3ccc4ccccc4c3)c2)cs1 23644365 JJEMJPYPOUCNKX-UHFFFAOYSA-N 402.519 5.456 0 40 HKAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)CC1 30752237 JJNHABUTVJTDPJ-UHFFFAOYSA-N 410.867 5.843 0 40 HKAB O=C(COc1cccc(-c2noc(-c3cccs3)n2)c1)Nc1cccc(Cl)c1 33327440 PRDHPGPVWZNMGO-UHFFFAOYSA-N 411.870 5.136 0 40 HKAB COC(=O)c1c(C)cccc1/C=C/c1ccc(S(=O)(=O)c2ccc(C)cc2)s1 35973545 YRFDGIYVTKSAGZ-MDZDMXLPSA-N 412.532 5.155 0 40 HKAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c12 36617436 ZAZAYOXECWUWEM-UHFFFAOYSA-N 411.417 5.836 0 40 HKAB Cc1ccccc1-c1cc2c(SCc3nc(-c4ccccc4)oc3C)nccn2n1 38651818 VUVHOIBJOIYKSW-UHFFFAOYSA-N 412.518 5.960 0 40 HKAB CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2ccccc2SCC(F)(F)F)c1 43960611 RMKJIWDCMFFHJG-GFCCVEGCSA-N 411.449 5.182 0 40 HKAB O=C(NCc1sccc1Br)C1c2ccccc2Oc2ccccc21 58764514 LYHBHHXPIPYAPW-UHFFFAOYSA-N 400.297 5.065 0 40 HKAB Cc1cc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)ccc1Cl 67298237 TZOYZPZDXDWTTQ-NMWGTECJSA-N 411.870 5.041 0 40 HKAB COc1cccc(-n2c(SCc3c(C)cc(C)cc3C)nc3ccsc3c2=O)c1 71768735 RLAJQXBDLMIXSG-UHFFFAOYSA-N 422.575 5.673 0 40 HKAB COc1ccc2cc([C@@H]3CC(c4ccccc4Cl)=NN3C(C)=O)c(Cl)nc2c1 71924223 ZAFUTXPDYAZCQJ-FQEVSTJZSA-N 414.292 5.248 0 40 HKAB CC(=O)Nc1ccc(CN2CCC(c3cncc(-c4cccc(Cl)c4)n3)CC2)cc1 72359720 WSKKXVOETVALFD-UHFFFAOYSA-N 420.944 5.135 0 40 HKAB CC(C)c1ccc([C@H](O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 84625076 KWPPDUOTVJZDAY-OAHLLOKOSA-N 415.868 5.351 0 40 HKAB Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C(=O)N(C)C)c(F)c1 96037378 DQLDXGZRLVTPIS-UHFFFAOYSA-N 420.488 5.406 0 40 HKAB O=C(N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1)C1(c2cccs2)CCCC1 96119087 QWHKXQNDNBEFBJ-OAHLLOKOSA-N 413.568 5.078 0 40 HKAB Cc1cc(N2C(=O)[C@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)cc(C)c1Br 102634576 CHHCHFDZBHHLJO-NZSAHSFTSA-N 412.327 5.139 0 40 HKAB Cc1cccc([C@H]2N=C(Nc3nc4ccccc4s3)N=C3CC(C)(C)CC(O)=C32)c1 102669048 PLAYXYWHPULBDM-OAQYLSRUSA-N 416.550 6.201 0 40 HKAB COc1cccc(CC[C@H]2CCCCN2C(=O)c2ccc(N3CCC(C)CC3)cc2)c1 141537550 RFLVJICXNZJGHA-RUZDIDTESA-N 420.597 5.559 0 40 HKAB CC(C)Oc1cccc(CCCNC(=O)c2ccccc2OCc2ccccc2)c1 218987021 IYTVOHMKWMFNGW-UHFFFAOYSA-N 403.522 5.415 0 40 HKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1cccc(Cl)c1 222695281 GFDOJFPIENOPFF-MRXNPFEDSA-N 403.975 5.036 0 40 HKAB CCc1ccc(O[C@H](CC)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 222885553 MAQSBXONCQWMEE-JOCHJYFZSA-N 409.913 6.491 0 40 HKAB C[C@@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)CCCC2 222975021 DHBGMFOTEKVFDC-GOSISDBHSA-N 410.989 5.308 0 40 HKAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccc(C)c(C)c1 224296536 KHHGXZAOJVIGKM-OAQYLSRUSA-N 417.549 5.642 0 40 HKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)ccc1F 224895289 RWOLTZBGRZVNNJ-XZOQPEGZSA-N 420.557 5.623 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)N(Cc1ccccc1)Cc1ccccc1 225120569 KLBKLIRANDVGMV-UHFFFAOYSA-N 413.945 5.941 0 40 HKAB CCOC(=O)c1cc(NC(=O)C(CC(C)C)(CC(C)C)OC)ccc1OCC(C)C 225798510 AUPXOSLBYFXZLL-UHFFFAOYSA-N 421.578 5.314 0 40 HKAB O=C1CC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)Oc2c(Cl)cccc21 225828185 JCGFONWRIGYYOJ-UHFFFAOYSA-N 405.281 5.025 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc(Cl)c1OC 408621620 OVIRAGNEEVJXLB-UHFFFAOYSA-N 411.885 6.100 0 40 HKAB COc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3)n2)c1 408699798 ZJACDVSGKJSOMP-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1ccc(C)c(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1 409116265 UPMIGJIBIQDTRZ-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4F)c(N)c3cc2C1 661846 QGMQWHNUJYMCEX-JTQLQIEISA-N 403.910 5.438 0 40 HKAB Cc1ccc2c(SCC(=O)Nc3ccccc3)nc(-c3ccc(F)cc3)nc2c1 1367424 WOFYJLMDQUROTO-UHFFFAOYSA-N 403.482 5.475 0 40 HKAB COc1ccc(C(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)cc1 1377459 FBSKXHVVQVDTHN-UHFFFAOYSA-N 412.580 5.677 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc(Cl)cc1 1509471 IABINRHFZHCACE-UHFFFAOYSA-N 418.905 5.947 0 40 HKAB Cc1sc2ncnc(SCC(=O)c3ccc(Cl)cc3)c2c1-c1ccccc1 1787576 BILBPBZUGUNPRN-UHFFFAOYSA-N 410.951 6.295 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc(Br)c1 2071421 BTRBKVKAAKKUIR-UHFFFAOYSA-N 409.308 5.978 0 40 HKAB CCCCCCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 2296807 JWPAVJICDHBHEA-UHFFFAOYSA-N 412.603 6.206 0 40 HKAB O=C1C[C@@]2(CC2(c2ccccc2)c2ccccc2)C(=O)N1c1ccc(Cl)c(Cl)c1 2329587 NVBLGXFUUFQQSO-HSZRJFAPSA-N 422.311 5.633 0 40 HKAB Cc1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)c(Br)c1 2396904 ZAWNYILZASINBR-UHFFFAOYSA-N 407.267 5.866 0 40 HKAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccccc1OC 2399403 DTKJEXGVKNSGFX-HLADLETHSA-N 424.481 5.512 0 40 HKAB CCCCc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)cc1 2428378 ACDHULPDGUUQQA-UHFFFAOYSA-N 403.551 6.299 0 40 HKAB Clc1ccc(SCc2nc(N3CCCCC3)c3c4c(sc3n2)CCC4)cc1 3277373 PJQHDVSSMSRRBX-UHFFFAOYSA-N 416.015 6.116 0 40 HKAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cc(Cl)ccc1Cl 3340185 YTZYZRHXOHILIK-QFIPXVFZSA-N 424.283 6.256 0 40 HKAB CCOc1ccc2ccc(OCC)c(/C=C3\NC(=S)N(C4CCCCC4)C3=O)c2c1 3667787 PDNHMFZMNAPAFN-QNGOZBTKSA-N 424.566 5.028 0 40 HKAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2NC(c1ccccc1)(c1ccccc1)c1ccccc1 3845372 RDWRBYXTTMJESU-BXTSTYNKSA-N 409.573 5.962 0 40 HKAB biogenic Cc1ccc([C@]2(CC(=O)NCc3ccc(OC(C)C)cc3)CCO[C@@H](C(C)C)C2)cc1 4044784 VCSJWHQCEMLEMY-XNMGPUDCSA-N 423.597 5.562 0 40 HKAB biogenic Cc1ccc(C)c(Cn2cc(SCC(=O)Nc3cc(C)on3)c3ccccc32)c1 4059757 QPKYAVUNBAFLLP-UHFFFAOYSA-N 405.523 5.334 0 40 HKAB CCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O 4065943 VHUQXSYNVVBYFQ-UHFFFAOYSA-N 406.265 5.141 0 40 HKAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(Cl)cc1Cl)CSC2 4176091 TXXWGISAINPTBD-UHFFFAOYSA-N 404.322 5.487 0 40 HKAB CCCCCCOc1ccc(C2(Cl)c3ccccc3N(C)c3ccccc32)cc1 4522341 UHAUKGKRTKYHKR-UHFFFAOYSA-N 405.969 7.258 0 40 HKAB Cc1ccc(Cn2cc(/C=C3/NC(=O)N(c4ccccc4)C3=O)c3ccccc32)cc1 4561618 GSQRGHQPTNTRSR-HZHRSRAPSA-N 407.473 5.095 0 40 HKAB biogenic CC(=O)Nc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 4593199 PVXQCQSQXHUXGQ-QFIPXVFZSA-N 407.853 5.079 0 40 HKAB O=C(Nc1ccc(Cl)cc1)/C(=C/c1ccccc1Cl)NC(=O)c1ccccc1 4832637 BFULMAQSQITCNH-ZHZULCJRSA-N 411.288 5.403 0 40 HKAB CCCCn1c(SCc2cc(Cl)cc3c2OCOC3)nc2ccccc2c1=O 5014052 CCLHEEOSKJQUFA-UHFFFAOYSA-N 416.930 5.009 0 40 HKAB COc1cc(C(C)=O)ccc1O[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 5194352 NMSGAOXEQYLXQO-DEOSSOPVSA-N 403.478 5.273 0 40 HKAB COC(=O)c1ccc(CSc2nc3ccccc3n2-c2ccc(OC)cc2)cc1 6038558 CWHDEEIGAPXJKS-UHFFFAOYSA-N 404.491 5.113 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)c(OC)c1 6230144 ZZYQHTRHDYUPHY-ZJSXRUAMSA-N 404.441 5.085 0 40 HKAB CC(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 6346309 ZALGYZFDLPCJQT-WOJGMQOQSA-N 414.914 5.138 0 40 HKAB CC(C)n1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nc2ccccc2c1=O 6651416 FWKRYRPSHCRNCC-HSZRJFAPSA-N 414.530 5.694 0 40 HKAB COc1ccc(-c2noc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C(C)C)n2)cc1 6736942 RBGOZNTWCIZZQQ-UHFFFAOYSA-N 407.514 5.094 0 40 HKAB COc1ccc(CCC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1OC 6882384 SMRVBAHZMLEUOW-XMMPIXPASA-N 409.913 5.196 0 40 HKAB Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)cc2c1C 7735428 XFNCATKSIORVRT-LBPRGKRZSA-N 405.281 5.276 0 40 HKAB Cc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 8743125 SZFFOXDITBYPHE-SIKLNZKXSA-N 423.310 5.901 0 40 HKAB O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)Nc1cccc(Cl)c1Cl 9057307 RHADZNJUXSTSAG-UHFFFAOYSA-N 423.303 5.558 0 40 HKAB Cc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cccc(C)c2C)cc1 9122252 RPCPNFAWWDBIAO-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 9226635 SLAWRFKGURAUAW-UHFFFAOYSA-N 420.940 6.693 0 40 HKAB O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)C(c1ccccc1)c1ccccc1 9403942 RCPWFXILITWJDN-UHFFFAOYSA-N 421.525 6.129 0 40 HKAB CCOC(=O)c1c(NC(=O)CSCc2cccc(Cl)c2)sc2c1CCCC2 9805551 JAZCTQHODAWMMO-UHFFFAOYSA-N 423.987 5.329 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)c1C 9805641 VTBINVJDPRCGBI-UHFFFAOYSA-N 421.353 5.137 0 40 HKAB CC(C)c1ccc(CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 10328930 RPLNRRMTSVSAGO-UHFFFAOYSA-N 405.925 6.266 0 40 HKAB CCOc1cccc2cc(-c3csc(NC(=O)c4cccc(OC)c4OC)n3)oc12 10750420 CTIRPKOHKWXENM-UHFFFAOYSA-N 424.478 5.225 0 40 HKAB CC(=O)Nc1c(C)cc(C)c(NCc2cc(-c3ccc(Cl)cc3)c[nH]c2=O)c1C 12144104 ISDFRWSVRRTPGP-UHFFFAOYSA-N 409.917 5.191 0 40 HKAB Cc1cc(NC(=O)CCCc2ccccc2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442044 PHOLPJQSCXMRLC-UHFFFAOYSA-N 420.513 5.405 0 40 HKAB Cc1cccc(C)c1OCCNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)oc1C 12462965 FBYZNXDASLLHHD-UHFFFAOYSA-N 407.554 5.481 0 40 HKAB CCOc1ccc(/N=c2\scc(-c3ccc(Cl)s3)n2[C@H](C)COC)cc1 12622877 KPEXKONMJJDLHI-IUXHBZJFSA-N 408.976 5.770 0 40 HKAB Cc1sc2nc3n(c(=O)c2c1-c1ccccc1)CC/C3=C\c1ccccc1Cl 12630674 VNGHWNGTFBEIII-GHRIWEEISA-N 404.922 6.031 0 40 HKAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1cccc(Cl)c1Cl 12914460 HCIQXTVYFOEGGQ-IBGZPJMESA-N 423.390 5.703 0 40 HKAB O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1c(Cl)cccc1Cl 12915600 SMJTYGXJKGLDJQ-UHFFFAOYSA-N 421.324 5.105 0 40 HKAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(Br)cc2Cl)cc1 12983318 OFYHFJMGDFDCLT-UHFFFAOYSA-N 410.695 5.103 0 40 HKAB CCOc1ccccc1-c1noc(CS[C@@H](C)C(=O)Nc2c(C)cccc2C)n1 13020849 GRAJOKUPJJRXFY-INIZCTEOSA-N 411.527 5.013 0 40 HKAB C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1cc2ccccc2o1 13120757 BFOIKETXYBLEIZ-CYBMUJFWSA-N 424.551 5.057 0 40 HKAB CC(=O)N([C@@H]1CCOC(C)(C)C1)[C@H](c1ccc(C)cc1)c1ccc(OC(C)C)cc1 13680795 IHJAIEPRLUWUBQ-ILBGXUMGSA-N 409.570 5.678 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2ccc3oc(C(=O)c4ccccc4)c(C)c3c2)c1 16993236 ADSTUOKEJAPVKR-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB biogenic Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 17091184 LKLTYHMOTQZXPJ-UHFFFAOYSA-N 417.559 5.707 0 40 HKAB CCOc1ccc(C(=O)NC(=S)Nc2nc3c(C)cc(C)cc3s2)cc1Cl 17092056 VSOPQQCPUNSRSE-UHFFFAOYSA-N 419.959 5.092 0 40 HKAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccccc1-c1ccccc1 19295134 OIZWTRXRLWSBAQ-UHFFFAOYSA-N 404.922 6.312 0 40 HKAB COc1ccc(SCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 20456592 RNNNJGUINGJWQG-UHFFFAOYSA-N 416.395 5.144 0 40 HKAB Cc1ccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 20868140 COAKSLPODVJFJI-DEOSSOPVSA-N 413.477 5.046 0 40 HKAB Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc21 20893142 MDPKHDXFJQEIRA-UHFFFAOYSA-N 404.558 5.109 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc5nsnc5c4)ccc3o2)cc1C 21595943 GBMRRYBVJLURGT-UHFFFAOYSA-N 400.463 5.369 0 40 HKAB CCn1cc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)c(=O)c2cc(C)ccc21 22234729 FMVCKMDCSIUKML-UHFFFAOYSA-N 423.516 5.710 0 40 HKAB CCCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c2cccnc12 32623481 KWZADVXUBHEOTQ-UHFFFAOYSA-N 407.857 5.584 0 40 HKAB COc1cc(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)cc(OC)c1Br 32753955 ZPUDBSSAUGOBNN-GFCCVEGCSA-N 418.287 5.046 0 40 HKAB Cc1ccc(-c2noc(-c3c(NC(=O)c4ccc(Cl)cc4)sc(C)c3C)n2)cc1 35671265 FOHJGJIJUIAZKD-UHFFFAOYSA-N 423.925 6.296 0 40 HKAB Fc1cccc(CSc2nccn3nc(-c4ccc(Br)cc4)cc23)c1 38486452 GDUSXTFCPSOYRM-UHFFFAOYSA-N 414.303 5.590 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38834415 JXWAWYWWMZWKBL-HXUWFJFHSA-N 404.485 5.469 0 40 HKAB O=c1cc(-c2ccc(Cl)cc2)nc2n(Cc3ccccc3F)c3ccccc3n12 40484739 SRDLCDLVGCQFIL-UHFFFAOYSA-N 403.844 5.157 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079089 PVYSZTQMVAOERI-UHFFFAOYSA-N 418.468 5.070 0 40 HKAB Clc1c(Br)cc(C23CC4CC(CC(C4)C2)C3)cc1Br 57646586 UYMUVVIDIRNGOV-UHFFFAOYSA-N 404.573 6.333 0 40 HKAB CC(C)(C)SCC(=O)Nc1cccc(N(CC2CC2)C(=O)CSC(C)(C)C)c1 72300878 NPEJXSAWDHTTKV-UHFFFAOYSA-N 422.660 5.432 0 40 HKAB O=C(NCc1cccs1)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1 96154373 LZRSQDXAFWSQIT-UHFFFAOYSA-N 407.476 5.203 0 40 HKAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCCc1c[nH]c2ccccc12 96221448 ZHZCZVRNQRWNSZ-HSZRJFAPSA-N 401.510 5.174 0 40 HKAB biogenic CCCCCOc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCCC)CC3)cc2)cc1 100003818 URHOZXIVCLJDNS-ZRZAMGCNSA-N 422.609 7.939 0 40 HKAB OC1C[C@H]2CC[C@H](C1)N2CCCN1c2ccccc2Sc2ccc(Cl)cc21 100133805 FVXMKGRYMOKOFX-IAGOWNOFSA-N 400.975 5.321 0 40 HKAB in-vitro Cc1cccc(C(C)C)c1NC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102181388 GRWRYPPXRDKFPR-WZGNDQMWSA-N 404.392 6.181 0 40 HKAB CCn1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c2ccccc21 106733901 VTPBJVMKKLXKRG-OCKHKDLRSA-N 414.889 5.690 0 40 HKAB CCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(F)cc1 107042504 XSVZLLMUGVKMRJ-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB C[C@H](CO)CCC[C@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118925409 QOZJGOAPWUNUFZ-WGUBSKRMSA-N 420.678 5.412 0 40 HKAB CC[C@@H](NC(=O)c1ccc(CN2CCCCCC2)cc1)c1ccc2c(c1)CCCC2 223110976 SGPHQKYDCYDFLF-AREMUKBSSA-N 404.598 5.823 0 40 HKAB Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c2ccccc2)c(C)c1 223222445 PVXURCPUFRNHQC-ZBLYBZFDSA-N 413.561 5.855 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1C(C)C 223356299 WYKJJJYRZHQQIZ-NRFANRHFSA-N 422.613 5.994 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)NCCOc3cccc(C)c3C)cc2)cc1 223902404 JRRBNMHOTOBNQS-UHFFFAOYSA-N 405.563 5.713 0 40 HKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3)c2)c(OC)c1 224195115 SIMZLHDEWNQQCI-UHFFFAOYSA-N 421.493 5.161 0 40 HKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 224309668 QACBYEMJXVEKJG-INIZCTEOSA-N 401.919 5.271 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1cc(C)cc(C)c1 224532359 JLSQOIQWCHRBQB-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 224535290 YUKARYPOCPNVQM-VWLOTQADSA-N 422.613 5.444 0 40 HKAB CN1CCC(Oc2ccc(NC(=O)CCc3ccc(Cl)c(Cl)c3)cc2)CC1 225338448 MWURLBVWDYAOHW-UHFFFAOYSA-N 407.341 5.038 0 40 HKAB CC[C@H]1N=C(c2cccc(C(F)(F)F)c2)c2cccn2-c2cc(OC)c(OC)cc21 225377984 NJZDZURLHHGCGK-QGZVFWFLSA-N 414.427 5.815 0 40 HKAB COc1cc(/C=C/c2nnc(N)o2)cc(Cl)c1OCc1cccc2ccccc12 226337903 YMGUABDNXMHQSP-MDZDMXLPSA-N 407.857 5.216 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccc(F)cc1 253529463 YVTJBQMCEPLZNF-MXOFSTLHSA-N 404.462 5.898 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(Cl)cc2)c1 408697746 JAZIIYMAZQIUKA-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB COc1ccc(Br)c2c1-c1nc(Nc3cccc(C)c3)sc1CC2 408887171 OQRVPUXEUMJGBP-UHFFFAOYSA-N 401.329 5.732 0 40 HKAB CCCNC(=S)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408977967 GKQWGHDKJLFBJY-UHFFFAOYSA-N 410.593 5.783 0 40 HKAB O=C(Oc1ccc(-c2nc3ccccc3s2)cc1)c1cccc(Br)c1 409272274 PMFKIIIQMWQRLM-UHFFFAOYSA-N 410.292 5.945 0 40 HKAB CCn1c(CNc2ccc(OC)cc2)nnc1SCc1c(F)cccc1Cl 899052 GLLMBYWGWAOTRB-UHFFFAOYSA-N 406.914 5.004 0 40 HKAB C[C@H](Sc1nnc(C2CCCCC2)n1C)C(=O)N(c1ccccc1)c1ccccc1 906773 PSUIHRFMSXJABI-SFHVURJKSA-N 420.582 5.708 0 40 HKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1C(F)(F)F 921024 OBNOSIVPUCLHIV-RMKNXTFCSA-N 400.194 5.128 0 40 HKAB Cc1sc2c(c1C)C(c1cccs1)=NCC(=O)N2Cc1ccc(C(C)(C)C)cc1 930353 CKBKLUMEYRSKNZ-UHFFFAOYSA-N 422.619 6.108 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OCC)cc1)CCCC3 2143125 YHFKGORAKLCNJK-UHFFFAOYSA-N 400.569 5.227 0 40 HKAB COc1cccc(C(=O)Oc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)c1 2145691 STLBLJVOPDVDMF-UHFFFAOYSA-N 414.457 5.228 0 40 HKAB biogenic COc1ccccc1NC(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 2341341 BBYJSDBWBZMBIA-UHFFFAOYSA-N 406.920 5.136 0 40 HKAB CCOc1ccc(-c2nc(NC(=O)c3nc(Cl)ccc3Cl)sc2C)cc1 2640332 YDENQDGAUZZSMQ-UHFFFAOYSA-N 408.310 5.471 0 40 HKAB COC(=O)c1ccccc1N(C(=O)c1ccccc1)c1c(C(C)C)cccc1C(C)C 3193796 AYDCCFIJNCROOW-UHFFFAOYSA-N 415.533 6.699 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c1CCCCC2 4134788 GWZJPQVQUBCECT-UHFFFAOYSA-N 412.338 5.753 0 40 HKAB CCCC[C@H](CC)COP(=O)(C[C@H](CC)CCCC)OC[C@H](CC)CCCC 4410227 GOCVCBDBQYEFQD-UHYSMRQQSA-N 418.643 8.862 0 40 HKAB C[C@H](NC(=O)c1cc2cc(Oc3ccc4c(c3)OCO4)ccc2[nH]1)c1ccccc1 4696029 MWHIOEKVYWUOHB-HNNXBMFYSA-N 400.434 5.180 0 40 HKAB CCOc1cccc2c1O[C@@H](c1ccccc1Cl)N1N=C(c3cccs3)C[C@H]21 4715722 UPPKTVKHZPEGSO-GCJKJVERSA-N 410.926 6.043 0 40 HKAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccccc2OC)C[C@H]1c1ccc(Cl)cc1 4816972 OWEKXOURCQVWPV-VQTJNVASSA-N 424.932 5.198 0 40 HKAB O=C(CSc1nc(-c2ccccc2)[nH]c1-c1ccccc1)Nc1ccc(F)cc1 4927912 BREQOJWQZHJISX-UHFFFAOYSA-N 403.482 5.614 0 40 HKAB CCC(=O)N(CC[C@@H](Cc1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccco1 5066962 XFWYSTAMSLBPNA-DEOSSOPVSA-N 419.565 6.222 0 40 HKAB Cc1ccc2nc(N(Cc3ccccn3)C(=O)CCOc3ccccc3)sc2c1 5265045 ZMKXFDKKVZVMPX-UHFFFAOYSA-N 403.507 5.002 0 40 HKAB O=C(c1ccc(F)cc1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 5444568 NKELGKZCMVRODQ-XQEAGORVSA-N 410.492 6.263 0 40 HKAB CN(C)C(=O)[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)c1ccccc1 5505180 AUIFPNDNYGRNAT-JOCHJYFZSA-N 417.509 5.358 0 40 HKAB CCCCCCn1c(N)c(C(=O)N[C@@H](C)CCCC(C)C)c2nc3ccccc3nc21 5562015 QURCFSILYTVFCI-SFHVURJKSA-N 423.605 5.692 0 40 HKAB Cc1ccc(-n2c(SCC(=O)N[C@H]3CCCC[C@@H]3C)nnc2-c2ccccc2)cc1 6421367 NBBONYKZHSZVFW-RXVVDRJESA-N 420.582 5.030 0 40 HKAB Cc1c(Cl)cn2c(=O)cc(CNc3cc(Cl)ccc3Cl)nc2c1Cl 6566609 IFLMJQGBECPMNL-UHFFFAOYSA-N 403.096 5.229 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](Sc1nc2cc(C)ccc2[nH]1)c1ccccc1 6566890 GDXXIPLAQZMYET-JOCHJYFZSA-N 417.534 5.742 0 40 HKAB COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(COC(C)C)cc1 6881255 WVUGWTCQARZBPL-UHFFFAOYSA-N 409.551 5.524 0 40 HKAB C[C@H](Oc1ccccc1F)c1nnc(SCC(=O)c2ccc3c(c2)CCCC3)o1 7137235 AUZXOINKKVRMBC-AWEZNQCLSA-N 412.486 5.203 0 40 HKAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3N(C)C)o2)cc1 7987429 BICUPYYAKGYHNB-UHFFFAOYSA-N 416.399 5.486 0 40 HKAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 8040801 CJAYZZFNYYZNAX-OAHLLOKOSA-N 412.382 5.427 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3cccc4ccccc34)c2)cc1 8451521 GYGJFYSNACFVTK-UHFFFAOYSA-N 423.468 5.440 0 40 HKAB Cc1cccc(C)c1OCCSCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 9882391 UEVPRCVZDKWWKW-UHFFFAOYSA-N 417.880 5.726 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4C)ccc3o2)cc1 9906578 FOKYHMMFFLCDFA-UHFFFAOYSA-N 422.868 5.483 0 40 HKAB CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(Cl)cc2)OC3=O)cc1 11689829 DLSHUAQNRGTRAO-JOCHJYFZSA-N 419.864 5.249 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4o3)CC2)c1 11914867 SQXFQQMPNHMCQP-GOSISDBHSA-N 406.526 5.433 0 40 HKAB CC(C)OC(=O)/C=C\c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 12377810 DTCGTJMARQVTDK-QXMHVHEDSA-N 411.299 5.267 0 40 HKAB COc1ccc(-c2n[nH]cc2[C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc1 12810349 YWBXEBROXUOISB-VWLOTQADSA-N 424.504 5.160 0 40 HKAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N[C@@H]1CCCc2ccccc21 13113027 HCSMSTKDUFQIEX-KBXCAEBGSA-N 424.595 5.016 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)n3)c3ccccc3n2)c(OC)c1 13208394 MCZJXDZIIGZAOR-UHFFFAOYSA-N 413.477 5.183 0 40 HKAB CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2cccc(C)c2)CC1=O 14095536 GPAOZUWTIHJLNF-OAQYLSRUSA-N 419.569 5.320 0 40 HKAB C[C@H](N[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc2c(c1)OCCO2 14125504 UZGSCCYDBCQYLH-SSOJOUAXSA-N 412.489 5.214 0 40 HKAB COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(Br)c1O 16195013 MOTWTBMTLZEQBA-UHFFFAOYSA-N 421.294 5.887 0 40 HKAB Cc1cccc(NC(=O)Cn2c3c(sc2=O)[C@@H]2C[C@H](C)CC[C@@H]2C(C)(C)S3)c1 16754179 GDPWCXPDRURPNU-OIISXLGYSA-N 416.612 5.261 0 40 HKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccc(F)cc3)cc2)cc1 19881490 UOCBQVOEFIZSCZ-GOSISDBHSA-N 418.512 6.019 0 40 HKAB Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1C 20486475 DEBPGITXHLTELV-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1ccc(N(Cc2cccs2)C(=O)c2sc3ccccc3c2Cl)cc1 20896905 OGTWBTAJKRBODH-UHFFFAOYSA-N 413.951 6.472 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2ccccn2)no1 22461691 WCLDZPCAKSSXME-JLHYYAGUSA-N 402.841 5.104 0 40 HKAB COc1ccc([C@@H]2CCCCCN2C(=O)CCc2ncc(-c3ccc(F)cc3)o2)cc1 24837766 OZJPRUMSAPQZSG-QFIPXVFZSA-N 422.500 5.566 0 40 HKAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)CCCC(=O)c1cccs1 27644028 JNVOEWSKOWMZQX-UHFFFAOYSA-N 422.554 5.033 0 40 HKAB OC1=NC(=S)S/C1=C\c1ccccc1OCCCOc1ccc(Cl)cc1 32109510 CTTCDDKMPHBECC-ATVHPVEESA-N 405.928 5.517 0 40 HKAB CCOc1ccc(-c2csc3c(=O)n(Cc4ccc(F)cc4)cnc23)cc1OCC 49002884 LYRWZYMKUNQAFD-UHFFFAOYSA-N 424.497 5.110 0 40 HKAB CN(Cc1ccccc1NS(=O)(=O)Cc1ccccc1Cl)C1CCCCC1 60378985 WLHQTPNRTJQYGT-UHFFFAOYSA-N 406.979 5.046 0 40 HKAB O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Cl)cc1Cl)N1CCCC1 64658297 AYBUICIBMQECCE-UHFFFAOYSA-N 404.272 5.660 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(Cl)cc3F)oc12 67293573 SGVDWXSAAKJIFY-ROMGYVFFSA-N 423.831 5.114 0 40 HKAB Cc1ccc(-c2nc3cc(Br)c(N)c(Br)c3o2)cc1Cl 70461406 XJHCBALFNHURQP-UHFFFAOYSA-N 416.500 5.564 0 40 HKAB Cc1cc2cc(C(=O)N3CCC[C@H]3c3ccnc(-c4ccc(Cl)cc4)n3)ccc2o1 72355892 ILFHETAKGCKZIB-NRFANRHFSA-N 417.896 5.829 0 40 HKAB CCOc1ccc2c(c1)NC(C)(C)c1ss/c(=N/c3cccc(Cl)c3)c1-2 100534028 IJDXSBQVAJNRBO-ZBJSNUHESA-N 402.972 6.422 0 40 HKAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(CC(C)C)cc4)cs3)C(=O)[C@H]12 102637307 JESHWTBYGPEYMA-GPHNJDIKSA-N 420.578 5.490 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1C[C@@H]1C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 200136708 OKUZYZZYXCUVKO-YYXOTSALSA-N 406.607 5.631 0 40 HKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)c(C)c1 222889911 HYDLVKXTIPILNW-NHCUHLMSSA-N 410.974 5.217 0 40 HKAB CC[C@H](NC(=O)COc1ccc(Br)c(C)c1)c1ccc2c(c1)CCCC2 223081388 LJZBBPKOBSTAQX-NRFANRHFSA-N 416.359 5.283 0 40 HKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224174752 GYYDGUYDAUDQOA-RPWUZVMVSA-N 410.546 5.358 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)c1 224229680 CDXNWJRWYNFDDP-DQEYMECFSA-N 424.573 5.666 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccccc1OC 224246577 FRIGNIWJMUCJAH-UHFFFAOYSA-N 409.507 5.257 0 40 HKAB CCOc1ccc(C(=O)N2CCCC2)cc1COc1ccc(-c2ccccc2)cc1 224557588 VTNXPQBOPBNIKC-UHFFFAOYSA-N 401.506 5.567 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)NCC(C)C)cc1 224586521 LTPHDNDTYKMMKB-RUZDIDTESA-N 422.613 5.070 0 40 HKAB Cc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)cc1 224693020 DEUBLDZICAUKNN-JOCHJYFZSA-N 420.597 5.102 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)cc1 224856293 BNLUBLHBYRDVAM-UHFFFAOYSA-N 417.452 6.438 0 40 HKAB CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c2ccccc2O1 224905621 UMCBDIVRJHVNQL-JXFKEZNVSA-N 401.934 5.615 0 40 HKAB O=C(Nc1ccc(Br)c(Cl)c1)c1cc(Br)ccc1Cl 225071185 WQCDLTFLINLVMS-UHFFFAOYSA-N 423.919 5.771 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCC[C@@H](C)C4)cc3)CCCC2)c1 225509749 DULQQBKQBLOWDY-JOCHJYFZSA-N 420.597 5.556 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCCCC3)cc2)CCCCCC1 225659712 UXBUXQGUIGHECH-UHFFFAOYSA-N 416.606 5.400 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C)n1 225868863 ZYJYENAUZSNJCN-UHFFFAOYSA-N 400.950 6.063 0 40 HKAB CCCCOc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 408586581 OBFRIIBLLQMMDJ-UHFFFAOYSA-N 422.908 6.226 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(C)cc2C)cc1 408698144 LLTZTJQSOFVVFK-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)c1 408698196 MBCRRKJUKBMBNA-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB COc1ccc(-c2sc(NC(=O)c3ccc(C)cc3)nc2-c2ccccc2)cc1 408823916 GWLDLCVWPIKUHA-UHFFFAOYSA-N 400.503 6.046 0 40 HKAB COc1ccc(-n2c(Cc3ccccc3)nnc2SCCCc2ccccc2)cc1 409108181 VLDOBHSUOHBTRK-UHFFFAOYSA-N 415.562 5.592 0 40 HKAB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc2ccccc2c1 409176816 YPMLIUCKCLTXNI-UHFFFAOYSA-N 423.493 6.156 0 40 HKAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc4ccccc34)C2=O)cc1 409177573 CEHHWNSQOSPYJX-KGENOOAVSA-N 416.502 5.077 0 40 HKAB CCCCOc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(OCC)cc3)n2C)cc1 409198013 UKXMRCQQYGOAIP-IZHYLOQSSA-N 424.566 5.381 0 40 HKAB CC(C)c1ccc(CN2CCC[C@]3(CCC(=O)N3Cc3ccc(F)cc3)CC2)cc1 585100097 FSMUSEATWBGJPP-SANMLTNESA-N 408.561 5.496 0 40 HKAB C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@H]2C 1903857759 GMBQZIIUCVWOCD-DWIBVDALSA-N 416.646 5.794 0 40 HKAB COc1ccc(NC(=O)c2c(-c3ccccc3)csc2NC(=O)c2ccco2)cc1 798307 SVONLZPLFMYNOM-UHFFFAOYSA-N 418.474 5.521 0 40 HKAB CCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)c3ccccc3)c2c1 917196 RHVLLPJTTQRUFE-UHFFFAOYSA-N 400.503 5.671 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2ccccc2C(C)(C)C)sc2c1CCCC2 1808245 LGBRTTANWKWXGN-UHFFFAOYSA-N 415.555 5.119 0 40 HKAB O=C1C(c2ccccc2)=C(c2ccccc2)O[C@@H](c2ccccc2)N1c1ccccc1 2057556 ABBMBGPAHXZSOA-NDEPHWFRSA-N 403.481 6.317 0 40 HKAB CC(C)OC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cccc(F)c1 2101430 CRDJDCVLPXAANU-UHFFFAOYSA-N 401.434 5.511 0 40 HKAB COc1ccccc1Oc1c(C)oc2cc(OCc3cc(C)ccc3C)ccc2c1=O 2102518 FSBHGCGKFWLBIQ-UHFFFAOYSA-N 416.473 6.098 0 40 HKAB biogenic CCCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2 2249848 BLSNITROVCMJBP-UHFFFAOYSA-N 406.551 5.422 0 40 HKAB CC(C)c1ccc(NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 2617522 QVARYXFCGJSJCG-DEOSSOPVSA-N 409.982 6.925 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2Oc2ccccc2)c(C(=O)c2ccccc2)c1 2699348 NJPZYAACMQOEQV-UHFFFAOYSA-N 407.469 6.271 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(Nc4cc(C)ccc4C)ncnc32)cc1 2715176 PGGBCZLLSCOHNE-UHFFFAOYSA-N 420.516 6.457 0 40 HKAB Cc1ccc(-n2c(SCc3nc4ccccc4s3)nc3ccccc3c2=O)cc1 3277693 IFTSVONYULMJGF-UHFFFAOYSA-N 415.543 5.596 0 40 HKAB CC(C)Oc1ccc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 3281333 OECJNBRKZRQTGM-UHFFFAOYSA-N 416.688 5.230 0 40 HKAB Cc1ccc(C)c(Sc2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c1 3309518 JQSSWIYVKYSALA-UHFFFAOYSA-N 416.373 6.943 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 3328866 WWQMEZWVHQRGDC-SFHVURJKSA-N 411.505 5.211 0 40 HKAB Cc1occc1-c1nnc(SCC(=O)c2c[nH]c3ccccc23)n1-c1ccccc1 3364492 AQIWRGRGLUQHNR-UHFFFAOYSA-N 414.490 5.292 0 40 HKAB C[C@@H]1C[C@H](NC(=O)c2cccc(C(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 4199606 GEDYDMDWVRNOIZ-MTIDIVMFSA-N 412.618 5.576 0 40 HKAB O=C(Nc1ccccc1Cl)N(Cc1nnc2n1CCCCC2)c1ccc(F)cc1 4518174 LVLQNSDEYNEVAW-UHFFFAOYSA-N 413.884 5.036 0 40 HKAB Cn1c(-c2ccc(Cl)c(Cl)c2)cnc1NCc1ccc(C(F)(F)F)cc1 4678322 LTQVORZAGHPUOW-UHFFFAOYSA-N 400.231 6.025 0 40 HKAB COc1cc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(F)cc4)c3c2cc1OC 4970048 BSWALZGRYWHLFD-UHFFFAOYSA-N 413.452 5.705 0 40 HKAB Cc1ccc(-c2c(NC(=O)c3ccc(Cl)cc3)n(C)c3ccccc3c2=O)cc1 5321565 UBOGYYGGPYQGAQ-UHFFFAOYSA-N 402.881 5.420 0 40 HKAB O=C(Cc1ccccc1)Nc1sc2ccccc2c(=O)c1-c1ccc(Cl)cc1 5324494 VPBWWDGVJUTVGD-UHFFFAOYSA-N 405.906 5.763 0 40 HKAB CCOc1cccc(-c2nnc3n2N=C(c2ccc(Cl)c(Cl)c2)CS3)c1 5519706 MARBPQDXFYRUQO-UHFFFAOYSA-N 405.310 5.009 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)cc1)N(Cc1ccccc1)C3=O 5555371 GGADADZZUQSEHO-QFIPXVFZSA-N 415.876 5.500 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(Cl)cc1)C2=O 5748783 XNIHMWPAFYIFGK-IGBFYBLQSA-N 410.985 6.226 0 40 HKAB biogenic Cc1ccsc1C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 5938055 BTCVSJKJHZDRBC-UHFFFAOYSA-N 404.354 6.223 0 40 HKAB Cc1ccccc1-n1c(SCC(=O)c2ccc[nH]2)nnc1-c1ccc(Cl)cc1 6044932 SAXGXXQSRREDKP-UHFFFAOYSA-N 408.914 5.199 0 40 HKAB CCCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 6589647 WFVKYTZYEKJBRG-UHFFFAOYSA-N 414.914 5.695 0 40 HKAB CSCC[C@H](NCc1c(C)nn(-c2ccc(F)cc2)c1C)c1nc2ccccc2[nH]1 6652349 BDDRKOZXOSBHDD-QFIPXVFZSA-N 423.561 5.089 0 40 HKAB COc1cc(-c2nnc(S[C@@H](C)c3ccccc3Cl)o2)cc(OC)c1OC 6784546 DANJOSRTBVORRG-NSHDSACASA-N 406.891 5.269 0 40 HKAB CCOc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(CC)cc32)cc1OCC 6844065 BNXILOTXEMXQAM-UHFFFAOYSA-N 413.521 5.480 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)c(C)c1 6844140 SZDXZZANNBBFGB-UHFFFAOYSA-N 420.896 6.091 0 40 HKAB COc1cc(OC)cc(C(=O)N2CC[C@]3(Cl)CCCC[C@@H]3[C@@H]2c2ccccc2)c1 7719384 HLWRCSWXRBUKBS-AOHZBQACSA-N 413.945 5.459 0 40 HKAB Cc1ccc(-c2csc(NC(=O)c3sc(-c4ccccc4)nc3C)n2)cc1C 7996122 ISWHJHDBNIYQOX-UHFFFAOYSA-N 405.548 6.111 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](N[C@H](C)c1ccccc1Cl)c1ccccc1 8173472 POACSMSRDZOQLX-UZUQRXQVSA-N 408.929 5.769 0 40 HKAB Cc1ccc(C2=NN(c3c(F)c(F)cc(F)c3F)[C@@H](c3ccc(Cl)cc3)C2)cc1 8432713 QLPPOTQCEKMNHX-LJQANCHMSA-N 418.821 6.561 0 40 HKAB COc1cccc(CC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 8769759 IYEVWJPYALMABM-OAQYLSRUSA-N 418.924 5.321 0 40 HKAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccc2ccccc2c1 9372537 AWWYMPDJSWYMCR-UHFFFAOYSA-N 422.513 5.458 0 40 HKAB O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccc2c(c1)CCCC2 9516645 FGQKNKSAGJAHKE-NRFANRHFSA-N 418.562 5.502 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(Cl)cc4)oc3c2)cc1 9659922 ASQSFLUMSKFVFK-UHFFFAOYSA-N 403.865 6.186 0 40 HKAB biogenic CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cccc(Cl)c1 9822788 FGFIXBVESOZNDR-UHFFFAOYSA-N 422.941 5.502 0 40 HKAB Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@H](c1ccccn1)O2 10215537 PFDRBBULTUZYRC-LPHOPBHVSA-N 412.312 5.148 0 40 HKAB Cc1cccn2cc(COc3ccc(C(=O)Nc4cccc5cccnc45)cc3)nc12 10895473 BGAPUCOHJZIZSK-UHFFFAOYSA-N 408.461 5.022 0 40 HKAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3nc(C(C)C)cs3)cc12 12568620 QHVHNUZXRABWPU-UHFFFAOYSA-N 414.531 5.426 0 40 HKAB C[C@H](Cc1cccs1)N(Cc1ccccc1)C(=O)c1cnc(Cl)c(Cl)c1 12683432 MVOBZXDVQZNNQW-CQSZACIVSA-N 405.350 5.724 0 40 HKAB O=C(CCc1c[nH]c2ccccc12)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 12790053 JTTQLZVZNOSTIB-NRFANRHFSA-N 413.546 5.592 0 40 HKAB Cc1cc(Br)ccc1NC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 12790557 CRZGWTQBWBPDJA-UHFFFAOYSA-N 413.319 5.213 0 40 HKAB Cc1ccccc1NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 13039570 UZYNLOYNGMRCDS-UHFFFAOYSA-N 405.885 5.216 0 40 HKAB Cc1ccc(OCc2nc3ccccc3n2CC(=O)Nc2cccc(Cl)c2)cc1 13040989 MZYJYIBGDPRRRK-UHFFFAOYSA-N 405.885 5.216 0 40 HKAB COc1ccc(/C=C(/C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 13649670 UKVIOLNOGXJJAK-HOIQBIFOSA-N 413.561 6.411 0 40 HKAB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(Oc3ccccc3)c2)n2nc(C)nc2N1 14163392 GFHATFOKJLJGSO-JOCHJYFZSA-N 418.497 5.011 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)CCn2c(-c3ccc(OC)cc3)n[nH]c2=S)cc1 14245743 OKKBEUHQVVLQSR-OAHLLOKOSA-N 410.543 5.159 0 40 HKAB Cc1cccc(NCN2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)c1C 16362130 WXVLJMVSUJSXSX-LICLKQGHSA-N 417.328 5.172 0 40 HKAB O=C(C[C@@H](c1ccccc1)N1CCc2ccccc2C1)c1ccc(Br)cc1 16477271 ONQYTFMUKJJGAX-QHCPKHFHSA-N 420.350 5.822 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4cc(C)ccc4C)nccn3n2)cc1 17051539 WICKMOOTMYPCQN-UHFFFAOYSA-N 402.523 5.052 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 17088149 HREUTDQJKSHHNW-UHFFFAOYSA-N 408.929 5.990 0 40 HKAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2s1 17090357 UVEAFJLAPRBLGE-UHFFFAOYSA-N 415.518 5.954 0 40 HKAB Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 20043039 WUIPTYVCIGOPPY-CJFMBICVSA-N 401.550 5.966 0 40 HKAB Cc1ccc2[nH]c(C(=O)NCCC3=CCCCC3)c(NC(=O)c3ccc(F)cc3)c2c1 21361950 BNWMJPPKKMHWQN-UHFFFAOYSA-N 419.500 5.488 0 40 HKAB COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCCCC2)c(F)c1 21577064 VRMIYESRFNFQPD-UHFFFAOYSA-N 421.310 5.148 0 40 HKAB Fc1ccccc1/C=C/C(C#Cc1ccccc1)=N\Nc1ccc(Br)cc1 22022851 GNLSWMOFOFJBDI-DPLXRRQRSA-N 419.297 6.121 0 40 HKAB CCOc1ccc(CCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1OCC 22518285 FDLZNEDPIKSKAY-HHHXNRCGSA-N 417.549 5.631 0 40 HKAB Cc1nc(CSc2ccccc2C(=O)Nc2cnc3c(cnn3C(C)C)c2)cs1 23700102 ZXTANVDRQNVLDH-UHFFFAOYSA-N 423.567 5.322 0 40 HKAB COc1ccc(-c2cc(N[C@H](C)C(=O)Nc3cc(C)ccc3C)ccc2OC)cc1 24833678 OWJNVYMFASOERJ-GOSISDBHSA-N 404.510 5.427 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 30937853 HMNAITQXMBMCTC-NRFANRHFSA-N 402.563 5.689 0 40 HKAB Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)CCc1ccccc1 32609874 NSVWJTMLVLQQJR-UHFFFAOYSA-N 418.324 5.415 0 40 HKAB Cc1ccc(-c2nc(=O)n(Cc3ccc(C(F)(F)F)cc3)c3sc(C)nc23)cc1 32615794 XKWKWJKMYVMJOA-UHFFFAOYSA-N 415.440 5.204 0 40 HKAB CCN(C(=O)c1ccc(C(C)(C)C)cc1)[C@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 32622422 RTUXBAZWTOAMOZ-HHHXNRCGSA-N 424.588 7.026 0 40 HKAB Cc1ccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1C 33623770 MAUTZQDUMQMWRT-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB CCOc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 35128704 WNSJUKPNFIKXET-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB CCCCc1ccc(NC(=O)c2sc3ncn(C4CCCCC4)c(=O)c3c2C)cc1 35672148 RIVIDQVDYZQKGA-UHFFFAOYSA-N 423.582 5.867 0 40 HKAB C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)OC1c2ccccc2-c2ccccc21 39978319 KUIJDAULDRWCAR-HNNXBMFYSA-N 421.493 5.199 0 40 HKAB C[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 44900457 INTWFMHMDJLWDA-GOSISDBHSA-N 409.551 5.816 0 40 HKAB N#C[C@H](C(=O)c1ccc(Cl)cc1Cl)c1nc2cc(C(F)(F)F)ccc2s1 54281446 VRDCOLIBLIXABU-LLVKDONJSA-N 415.223 6.112 0 40 HKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc2c(Cl)cccc12 57315762 DJJRSWRSGWTAFU-UHFFFAOYSA-N 404.853 5.899 0 40 HKAB CS(=O)(=O)Nc1ccc(-c2cc(-c3ccc(Cl)cc3)c3ccccc3n2)cc1 58324548 DQKDOKQYSMMKQT-UHFFFAOYSA-N 408.910 5.594 0 40 HKAB Cc1ccccc1CSc1nc2ccccc2c(=O)n1-c1ccc(N(C)C)cc1 67259050 LALHGJPKFBBWAW-UHFFFAOYSA-N 401.535 5.052 0 40 HKAB O=C(CCCc1ccc(F)cc1)N1CCC[C@H]1c1ccc(Nc2ccc(F)cn2)cn1 72353159 LZGAGCCIXDTONG-QFIPXVFZSA-N 422.479 5.185 0 40 HKAB CC(C)c1ccc(-c2nc(C(=O)Nc3ccc([S@@](C)=O)c(F)c3)cs2)cc1 78879249 UIUZDMGDVUDFDY-MHZLTWQESA-N 402.516 5.062 0 40 HKAB O=C(Nc1nc(-c2ccccc2C(F)(F)F)ns1)c1cc(-c2cccs2)on1 96345952 PEOMBIPVYZEGMX-UHFFFAOYSA-N 422.413 5.193 0 40 HKAB CCc1nn2c(=O)cc(CSc3ccc(C)cc3)[nH]c2c1-c1ccc(Cl)cc1 100071444 KFUZESGCCHYEBB-UHFFFAOYSA-N 409.942 5.506 0 40 HKAB COc1ccc(-c2oc3ncn(CC(C)C)c(=N)c3c2-c2ccc(OC)cc2)cc1 100306434 DHKQLYJEYZZXBP-UHFFFAOYSA-N 403.482 5.116 0 40 HKAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1cccc2ccccc12 108024879 OHXOAVGKKGRIKI-UHFFFAOYSA-N 423.969 5.610 0 40 HKAB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1ccccc1Oc1ccccc1 219463649 VEKFNOVPHQBTKR-UHFFFAOYSA-N 422.484 6.011 0 40 HKAB CCOC(=O)c1cc(NC(=O)CCCSc2ccc(Cl)cc2)ccc1Cl 222694119 PVIAJTOPTSOAFA-UHFFFAOYSA-N 412.338 5.681 0 40 HKAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1C 223453192 PQMMHZDZFKOYOI-IBGZPJMESA-N 407.941 6.335 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1ccc(C)cc1 224124823 AWLLGNUFBJPNAX-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB CC[C@@H](CNC(=S)Nc1ccc(Br)c(Cl)c1)Cc1ccccc1 225631769 GBOXOZVPHRQLFY-CYBMUJFWSA-N 411.796 5.658 0 40 HKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225735436 RIIBGSXKYIFXSJ-VWLOTQADSA-N 418.622 5.501 0 40 HKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)C(C)C 225762313 SFUIEKNLHWMTAH-JOCHJYFZSA-N 409.599 5.305 0 40 HKAB COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ccccc34)CCOCC2)cc1 225781820 HIDLFHMHCNLRJZ-UHFFFAOYSA-N 419.521 5.323 0 40 HKAB O=C(OC1CCCCC1)c1cc(Cl)c(Cl)c(-c2cc3ccccc3oc2=O)c1 226357715 UAGRGDRHGPINAU-UHFFFAOYSA-N 417.288 6.256 0 40 HKAB COc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cc1 253497882 YIPJBSXSAMSSSQ-YEVDDIFCSA-N 410.598 5.453 0 40 HKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(Cl)c2)C1 257309124 TZQMNEJIXBCENJ-VWPQPMDRSA-N 422.352 5.498 0 40 HKAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260816723 OIWNDTWEBBBVDP-HYBUGGRVSA-N 404.595 5.254 0 40 HKAB CCc1cccc(C)c1NC(=O)c1cc2c(N3CCCC3)nc(SC)nc2s1 408618260 FJFGQFYXKUSUMP-UHFFFAOYSA-N 412.584 5.137 0 40 HKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(Cl)c3)n2)c1 408698418 NPYZTYMWQRKZFJ-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCCc1sc(NC(=O)c2ccc(OC)cc2)nc1-c1cc(OC)cc(OC)c1 408833109 RMHWNSPGKUZURV-UHFFFAOYSA-N 412.511 5.041 0 40 HKAB O=C(Nc1ccccc1Cl)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408978449 MEMCISXYQIPCLJ-UHFFFAOYSA-N 413.868 5.526 0 40 HKAB O=C1S/C(=C/c2ccc(-c3ccc(F)cc3)o2)C(=O)N1CCCc1ccccc1 409131518 IRBRYBKBORPRGE-RCCKNPSSSA-N 407.466 5.755 0 40 HKAB CC(C)c1ccc(CN2CCOCCOc3ccccc3Oc3ncccc3C2)cc1 643588362 GLCDXWUELPWMDT-UHFFFAOYSA-N 418.537 5.409 0 40 HKAB CC1(C)Cc2c(c(-c3ccccc3)nc3sc4c(N5CCCC5)ncnc4c23)CO1 658424 ZRHIEDUSZRJLKZ-UHFFFAOYSA-N 416.550 5.358 0 40 HKAB S=C(Nc1ccccc1)N1CCN(C(=S)Nc2ccccc2)c2ccccc21 1236198 CLWKXUOVIMTBGK-UHFFFAOYSA-N 404.564 5.107 0 40 HKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccc(Cl)cc3)c2NC(=O)c2ccco2)cc1 2197229 DZGDDODCKKSLHL-UHFFFAOYSA-N 419.868 5.015 0 40 HKAB O=C(NC(=S)Nc1ccccc1N1CCCC1)c1sc2ccccc2c1Cl 2226813 HKSOVWJNNHKYCE-UHFFFAOYSA-N 415.971 5.282 0 40 HKAB CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc12 2281449 YPYZGKBRJKHAAD-UHFFFAOYSA-N 406.265 5.189 0 40 HKAB Cc1nn2c(N3CCC(Cc4ccccc4)CC3)cc(C(C)C)nc2c1-c1ccccc1 2354650 PLEPTASZKMHIJB-UHFFFAOYSA-N 424.592 6.287 0 40 HKAB CCCCCSc1nc2c(c(=O)n1CC(C)C)C1(CCCCC1)Cc1ccccc1-2 2395842 NLABNORLJPCIJC-UHFFFAOYSA-N 424.654 6.607 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccc(Cl)s1 2624793 ZQZRTEKNPMNSII-UHFFFAOYSA-N 423.950 5.896 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@H]2C)c(C)c1 2634032 USTXWGKJQFIOGU-UTKZUKDTSA-N 420.582 5.683 0 40 HKAB COc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)cc2)cc1 2704971 FPZCJRWWMINLNY-OAQYLSRUSA-N 417.848 5.205 0 40 HKAB Clc1ccccc1CSc1nnc(COc2ccccc2)n1Cc1ccco1 3295723 URNRXRIIUAKOCH-UHFFFAOYSA-N 411.914 5.444 0 40 HKAB CCCc1nc2ccccc2c(C(=O)OCc2nnc(-c3ccccc3)o2)c1CC 3355479 GDOBGEGIVWAPRQ-UHFFFAOYSA-N 401.466 5.157 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)cc2COC(=O)c2ccc(Cl)cc2)cc1C 3405757 CVTUQGUXEFRMLD-UHFFFAOYSA-N 416.908 6.167 0 40 HKAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1sc2ccccc2c1Cl 4032233 QYPOCIIAOJYWGF-UHFFFAOYSA-N 403.894 6.350 0 40 HKAB aggregator CCCCc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)ns2)cc1 4167508 IQVGHFYSDNVREU-UHFFFAOYSA-N 417.987 5.932 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 4546600 CFLJMFXVPMRPLU-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB O=C(c1csc(Nc2ccc(Cl)c(Cl)c2)n1)N1CCc2ccccc2C1 4690031 DDMIHXPJXUEJRL-UHFFFAOYSA-N 404.322 5.392 0 40 HKAB Cc1ccc(C(SC[C@H](N)C(=O)O)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 5049518 GLGZDJARSLSKDT-QHCPKHFHSA-N 405.563 5.049 0 40 HKAB Cc1ccccc1C(=O)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12 5106987 ZSVHOAQWVMCQQD-UHFFFAOYSA-N 406.388 5.524 0 40 HKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3C/C=C/c3ccccc3)CC2=O)c1 5156439 VKWRFOICYDVFJO-QWDXWUACSA-N 407.517 5.579 0 40 HKAB O=C(CSc1nnc(Cc2cccs2)n1CCc1ccccc1)c1ccccc1 5326149 LEJMYFAIRXYXRH-UHFFFAOYSA-N 419.575 5.148 0 40 HKAB COc1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)cc1Cl 5481467 JUTRSZWQEFVFCB-XIKOKIGWSA-N 404.963 5.415 0 40 HKAB CCCCC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 6593844 KWVNDBQWOJLZCQ-UHFFFAOYSA-N 403.960 5.620 0 40 HKAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc2c(c1)CCC2 6608351 DIRBNVKYJFKODE-UHFFFAOYSA-N 415.518 5.050 0 40 HKAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCCCC2)c1nnc(-c2ccccc2)o1 7829530 BIFWSFSGRHKTJU-MRXNPFEDSA-N 413.477 5.472 0 40 HKAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc2[nH]c3c(c2c1)CCCC3 7975193 YIWUBOVVQSVACM-UHFFFAOYSA-N 407.857 5.107 0 40 HKAB Cc1nc(-c2ccc(CCNC(=O)c3c(-c4ccccc4)noc3C)cc2)cs1 8156700 CDLQZGGEJQYCEV-UHFFFAOYSA-N 403.507 5.054 0 40 HKAB CCOc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 8254008 SFABBJYHWOWFJD-UHFFFAOYSA-N 417.883 5.886 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)c3ccccc3F)n2[C@@H]2CCCC[C@H]2C)c1 8343511 FPBLAXXYHNAJKA-DYESRHJHSA-N 423.557 6.119 0 40 HKAB BrC1=C(Br)C2(SCCS2)[C@@H]2C[C@H]1c1ccccc12 8665899 RHKMQBSXYARXQX-WDEREUQCSA-N 404.192 5.449 0 40 HKAB Cc1ccccc1OCCSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 8673653 WIVFVYUMESTSJC-UHFFFAOYSA-N 420.559 6.028 0 40 HKAB O=C(Nc1ccc2nc(SCCOc3ccccc3)sc2c1)c1cccs1 8673958 OJZOLNFTOPTHBU-UHFFFAOYSA-N 412.561 5.781 0 40 HKAB Cc1ccc(N(C(=O)c2ccccc2Br)C(=O)N2CCCCC2)cc1 9317758 WURRIGIQIBCKGX-UHFFFAOYSA-N 401.304 5.010 0 40 HKAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1c(Cl)cccc1Cl 10139807 XENZBHIBSYDBHZ-UHFFFAOYSA-N 402.325 5.293 0 40 HKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Cl)c1)N(c1nccs1)C3=O 10233174 HSCRDHOWGVBNFE-GOSISDBHSA-N 422.893 5.270 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 11203273 OCMJHHJBZKNVLD-GFCCVEGCSA-N 419.264 5.245 0 40 HKAB CC(C)c1ccc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 11916229 RYISYEOITGUEGQ-QGZVFWFLSA-N 408.567 5.593 0 40 HKAB CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc(NC(C)=O)cc1 12561956 VYEGHGGBZOKLCH-NMWGTECJSA-N 406.338 5.734 0 40 HKAB CSc1ccc(OCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)cc1 12568432 FRPYEGTWCIUQGW-QGZVFWFLSA-N 414.577 5.288 0 40 HKAB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3ccccc3F)s2)cc1Cl 12776644 IJOZSAOBCSPXTL-LLVKDONJSA-N 422.938 5.502 0 40 HKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc2c(c1)OCCO2 12794266 KDFWPZTZFDPRTM-UHFFFAOYSA-N 420.412 5.161 0 40 HKAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)NCc3cccs3)nc2c1 13015078 HYWWDQSTEMDACL-UHFFFAOYSA-N 420.559 5.380 0 40 HKAB CC(C)c1nc2sc3c(NCc4cccnc4)ncnc3c2c2c1COC(C)(C)C2 13228249 KSQILKPDPCNXJW-UHFFFAOYSA-N 419.554 5.221 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 13628297 WPIQHTYSELHXSB-UHFFFAOYSA-N 416.521 5.887 0 40 HKAB CC(C)CC(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 13628747 AVNLWGCNPJQAKB-UHFFFAOYSA-N 411.571 5.096 0 40 HKAB Clc1cccc(-n2ncc3c(Nc4ccc(Nc5ccccc5)cc4)ncnc32)c1 15827451 YHCJNSADWBLJPX-UHFFFAOYSA-N 412.884 5.956 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)N(Cc3ccc(Cl)cc3)C[C@H]3CCCO3)oc2c1 15832021 YFTFUCKYNRIJMM-HXUWFJFHSA-N 411.929 5.833 0 40 HKAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl 17087597 AKELJICJNLCRMX-UHFFFAOYSA-N 407.244 5.068 0 40 HKAB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Br)cc1 17087603 PIZVEFIIJNTRRA-UHFFFAOYSA-N 407.267 5.187 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 17089828 BPEPLJLPYVTXFB-UHFFFAOYSA-N 414.461 5.726 0 40 HKAB COc1ccc(OC)c(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 17091322 TWKIYDJZCUGJQT-VMPITWQZSA-N 418.276 5.923 0 40 HKAB CC(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1 17092328 BBPYILLUCKYQIJ-UHFFFAOYSA-N 420.534 5.221 0 40 HKAB Cc1ccc(-c2nn(-c3nc(-c4ccccc4)cs3)c(-c3ccc(C)cc3)c2C)cc1 17092788 KSKRBFNGOUCPDC-UHFFFAOYSA-N 421.569 7.255 0 40 HKAB COc1ccc(-c2nc(COC(=O)c3cccc(C(F)(F)F)c3)cs2)c(OC)c1 24829959 KTVJZSHPZGVPEH-UHFFFAOYSA-N 423.412 5.203 0 40 HKAB Cc1ccc(-n2cnnc2S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c(C)c1 25097938 RLDCIRYFPWULKL-ZDUSSCGKSA-N 421.353 5.310 0 40 HKAB CS(=O)(=O)c1cc(C(=O)Nc2ccccc2SC2CCCC2)ccc1Cl 25265595 YTZUWYVOGZICHQ-UHFFFAOYSA-N 409.960 5.031 0 40 HKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCc1csc(-c2ccccc2)n1 28293785 CUUPLVWOBLZGTH-QGZVFWFLSA-N 408.567 5.234 0 40 HKAB O=C(c1ccoc1)N1CCC(NCc2ccc(-c3ccc(Cl)cc3)s2)CC1 30669324 TZUQMYTZGLXQKT-UHFFFAOYSA-N 400.931 5.056 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)COc2ccc3ccccc3c2Br)c(C)c1 30856862 LECQOWPIINQYAQ-MRXNPFEDSA-N 412.327 5.475 0 40 HKAB CCOc1ccc(NC(=O)[C@H]2CC(O)=Nc3c(C)c(-c4cccc(Cl)c4)nn32)cc1 32101153 STZZQKKLSGKZSJ-GOSISDBHSA-N 424.888 5.082 0 40 HKAB CCCOc1ccc2ccccc2c1CN(C)C(=O)c1ccc(C(F)(F)F)cn1 32903129 NXVVTJDBILHLOE-UHFFFAOYSA-N 402.416 5.315 0 40 HKAB Cc1cccc(NC(=O)c2ccccc2SC[C@@H]2CCCN3CCCC[C@@H]23)c1C 33435706 USTZOLMUDCRMRV-REWPJTCUSA-N 408.611 5.912 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(c1ccccc1)c1ccccc1 33727165 UIDFSMGXVVYEQR-UHFFFAOYSA-N 421.584 6.925 0 40 HKAB Cc1ccccc1N(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 33784581 PALHAUSEZDISSU-UHFFFAOYSA-N 406.334 5.697 0 40 HKAB O=C(CCc1ccccc1)Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1 36355020 BMDNUJFNBVYBKV-UHFFFAOYSA-N 410.521 5.018 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)/C=C\c5ccccc5)CC[C@@]43C)[C@@H]1CCC2=O 36370506 BHWKXKHBCVBVDP-XYXSYFPSSA-N 418.577 6.144 0 40 HKAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 39858272 MIUALAHUCPJCDO-OAHLLOKOSA-N 412.283 5.647 0 40 HKAB CCn1nc(C)c(NC(=O)c2cc3sccc3n2Cc2ccccc2Cl)c1C 40283394 VZPDYQSTMFDQEF-UHFFFAOYSA-N 412.946 5.490 0 40 HKAB Cc1ccc(NC(=O)c2nnc3c(-c4cccc(Cl)c4)c(C(C)C)nn3c2C)cc1 40385060 RBDZOTQLGXNNIO-UHFFFAOYSA-N 419.916 5.437 0 40 HKAB Cc1nc(C)c([C@H](C)NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)s1 58406755 UDNAWLIYQLRERB-AWEZNQCLSA-N 421.497 5.712 0 40 HKAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(Cl)ccc2F)n1 67296867 CEALZOZKYRNKAJ-ROMGYVFFSA-N 407.832 5.413 0 40 HKAB Cc1ccccc1CSCC(=O)NCCSCc1ccc(Cl)cc1Cl 72328181 VQYDHIVEBMEKRC-UHFFFAOYSA-N 414.423 5.585 0 40 HKAB CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Nc1ccc(-c2nccs2)cc1 79015101 RBQGAEWJPAIMFH-FQEVSTJZSA-N 413.518 5.173 0 40 HKAB O=C(c1cccc(Br)c1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1F 89827799 NJYIDFWKCOJNQZ-NRFANRHFSA-N 423.285 5.580 0 40 HKAB Cc1cccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)c1C 101491704 ICMXSWQUPHCUOU-DHYWSWINSA-N 422.572 6.852 0 40 HKAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)o1 106681087 FIHZJLYKNXQFGH-NDENLUEZSA-N 419.458 5.190 0 40 HKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 216493664 MPZZGACQLRLHAK-GAJHUEQPSA-N 420.484 5.113 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccccc1C(=O)c1ccccc1 222863591 DEEWNKPQYQGBOT-UHFFFAOYSA-N 413.901 5.582 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)c1 224242041 UTVYKSPOCCNKIC-RPWUZVMVSA-N 416.594 5.874 0 40 HKAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COCc1ccccc1 224745044 QFBWSCRXIXDSCF-UHFFFAOYSA-N 409.913 5.386 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCc4ccccc4)c(C)c3)CCOCC2)cc1 225569790 KYPQTYNCBSBHSG-UHFFFAOYSA-N 415.533 5.569 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)N[C@@H](C)CC)cc1 225579986 BPNHHQZDRDPWAG-OFVILXPXSA-N 422.613 5.212 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c2ccccc2O1 260762376 IHPUXPYBGSUASL-GBXCKJPGSA-N 420.597 5.731 0 40 HKAB OCc1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1 319021096 GPNPLAMKVLWXBV-UHFFFAOYSA-N 422.116 5.436 0 40 HKAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408694361 CZVPELRYAYCGAH-HXUWFJFHSA-N 423.896 5.376 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)nn2-c2ccccc2C)cc1 408724176 HAYDSXKVRALVTE-UHFFFAOYSA-N 409.533 6.532 0 40 HKAB CCOc1c(Cl)cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1Cl 409090763 OMTKOLQXTFZFEK-WJDWOHSUSA-N 413.370 5.125 0 40 HKAB CCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1 409118816 RCKVJRLVUHHPPR-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB CC[C@H](C)n1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 409210913 LPQGECOZPDMNAF-HXJASHHUSA-N 410.926 6.507 0 40 HKAB O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1cccc(Cl)c1 883802 LXLNIUPDXAFMSI-UHFFFAOYSA-N 423.847 5.547 0 40 HKAB CCSc1nnc(NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)s1 996963 SVBWQUVFMJSOHU-UHFFFAOYSA-N 406.536 5.426 0 40 HKAB Cc1ccc(I)cc1NC(=O)c1ccc(Cl)cc1Cl 1103299 MEHYTIOLELPOML-UHFFFAOYSA-N 406.050 5.159 0 40 HKAB C[C@H]1CCCC=C1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1cccnc1 1347665 MGMZECRYMHKNCF-MBSDFSHPSA-N 421.541 5.011 0 40 HKAB Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1F 1380208 VVPQBATYJWBIRM-QHCPKHFHSA-N 420.484 5.174 0 40 HKAB COc1cccc(C(=O)Oc2ccc3c(=O)c(-c4ccc(Cl)cc4)c(C)oc3c2)c1 1447985 YTDSJPQKYOBHBF-UHFFFAOYSA-N 420.848 5.650 0 40 HKAB biogenic COP(=O)(OC)[C@@H](OC(=O)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 2144672 ARJJOGOTXIUNPF-SECBINFHSA-N 411.005 5.071 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(F)c1)N(c1nc(C)c(C)s1)C3=O 2377363 PRWYDEZAYWGTKE-LJQANCHMSA-N 420.465 5.064 0 40 HKAB Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1C1CCCCC1 2438910 NDDODJHHHOFRDH-UHFFFAOYSA-N 400.482 5.029 0 40 HKAB CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1cccc(Cl)c1 2452034 PEKVPUTVWGEFQQ-UHFFFAOYSA-N 414.962 5.473 0 40 HKAB Cc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccccc2)cc1C 2693145 IMGWLGYJFKAEPY-UHFFFAOYSA-N 419.477 5.055 0 40 HKAB COc1ccc([C@H]2C=C(c3ccc(F)cc3)Nc3nc4ccccc4n32)c(OC)c1 2917955 VKFPQEKFNQVADP-JOCHJYFZSA-N 401.441 5.249 0 40 HKAB CN1C(=O)N(c2cccc3ccccc23)[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1(C)C 3063032 APSDBBFAYYDHOZ-HXUWFJFHSA-N 422.916 5.291 0 40 HKAB O=C(O[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)C1CCCCC1 3261379 LWISDNRBIDROHJ-IBGZPJMESA-N 405.416 5.509 0 40 HKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1cccs1 3438551 WHBJPAFZZBHBBI-UHFFFAOYSA-N 415.927 5.276 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CCC2 4069860 KKLXBXPCJIPNPX-UHFFFAOYSA-N 407.491 5.458 0 40 HKAB COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)CC1CCCCC1 4162460 NJIOPSMQARIBCM-UHFFFAOYSA-N 406.482 5.603 0 40 HKAB OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Br)cc1 4241548 HWPQKVMCAWVBDO-UHFFFAOYSA-N 408.122 6.040 0 40 HKAB Fc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 4491209 XQLBJONTAJGZDI-UHFFFAOYSA-N 409.917 5.943 0 40 HKAB C[C@H](Cc1ccccc1)NCCCCCCCCCCN[C@H](C)Cc1ccccc1 4534957 SGNZVNKYVQTCPF-CLJLJLNGSA-N 408.674 6.549 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2c(Cl)cccc2Cl)N3)C1 4545735 QEQZCJJONHWXCH-VOJFVSQTSA-N 423.409 7.025 0 40 HKAB CCOc1ccc2nc3sc(C(=O)N4c5ccccc5C[C@@H]4C)c(N)c3cc2c1 4848821 WBQYHBIEEBGHOW-ZDUSSCGKSA-N 403.507 5.022 0 40 HKAB COc1cccc([C@@H]2c3cc4c(cc3O[C@H](Nc3ccccc3)[C@@H]2C)OCO4)c1OC 5550992 GBOIKVXJSZURGV-OJJCTEDXSA-N 419.477 5.031 0 40 HKAB CCOc1ccccc1OCCCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 5825367 ABNJSGLNAKJRIQ-SFHVURJKSA-N 410.539 5.218 0 40 HKAB CCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(C)cc3c2C)cc1OCC 6811524 PZTUCYPXGLSCLY-UHFFFAOYSA-N 421.453 5.149 0 40 HKAB COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1Br 6846940 ZXFBVDDFISUPRK-UHFFFAOYSA-N 406.663 5.623 0 40 HKAB CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(C)cc3)cc2)cc1 6963036 PDPZHBVHZKGCBX-SILNSSARSA-N 414.530 6.091 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(OCc2ccccc2Cl)cc1 7700230 IUAKUOKFBBVQRZ-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)O 8434552 AMKXZAONIOLOKO-UHFFFAOYSA-N 416.477 5.014 0 40 HKAB CC(C)c1nc2sc3c(N4CCCC[C@H]4C)ncnc3c2c2c1COC(C)(C)C2 8618325 HVVGDJWJMVVSNW-CQSZACIVSA-N 410.587 5.593 0 40 HKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1c1ccccn1 8827470 QWNFSVLTMFOLJO-LJQANCHMSA-N 423.255 5.245 0 40 HKAB O=C1N/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1c1cccc(Cl)c1 9322986 KAYDYFSTEWKVQL-CIAFOILYSA-N 422.843 5.155 0 40 HKAB O=C(CN1C(=O)C[C@@H](c2ccccc2)Sc2ccccc21)Nc1ccc(F)cc1F 9345512 YFBJZMGUSVAKLF-NRFANRHFSA-N 424.472 5.174 0 40 HKAB Cc1ccc(C(=O)[C@H](Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 9591944 AVJULBJUOJDXLJ-QFIPXVFZSA-N 412.938 5.225 0 40 HKAB Cc1cc(C(=O)Nc2ccc3ccccc3c2)ccc1NS(=O)(=O)c1ccccc1 10370336 TXYCHYPTMQHPIN-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(C)cc1 12414867 HLCUQSRNGUNGPY-UHFFFAOYSA-N 415.536 5.009 0 40 HKAB O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCC[C@H]1c1nc2ccccc2s1 13068533 MKBMEADOJLTRLT-SFHVURJKSA-N 423.538 5.465 0 40 HKAB Clc1c(-c2cccc(Br)c2)noc1-c1cccc(Br)c1 13640856 XLJVXNANGMOSSU-UHFFFAOYSA-N 413.496 6.187 0 40 HKAB COC(=O)c1c(NC(=O)c2ccccc2OCc2ccccc2)sc2c1CCCC2 13687239 VPZAXJNGGYOJNM-UHFFFAOYSA-N 421.518 5.245 0 40 HKAB Cc1ccc(N2C(=O)CN(c3ccccc3C)C(=O)[C@H]2/C=C/c2ccccc2)c(C)c1 15412291 LIKADVYDGSRTOX-SXKZTFQGSA-N 410.517 5.074 0 40 HKAB O=C(O)c1ccc(CNCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 16450007 LNRUTDWWNCFDGR-UHFFFAOYSA-N 416.304 5.560 0 40 HKAB COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)Cc3ccccc3OC)no2)cc1 19558040 SLTIAKOZGMFVDQ-QFIPXVFZSA-N 420.509 5.045 0 40 HKAB Cc1ccc([C@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)c(C)c1 20110141 DTRQYSLOFQIIAY-INIZCTEOSA-N 404.348 5.446 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccccc2OCc2ccccc2)cc1 20112538 GKYYVMQKMJMRCZ-DEOSSOPVSA-N 403.522 5.791 0 40 HKAB Fc1ccccc1-c1nnc(SCc2ccc(Cl)nc2)n1Cc1ccccc1 21750636 PXZFKCGSBSGXNF-UHFFFAOYSA-N 410.905 5.473 0 40 HKAB CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1 22075631 ADCHWFRDWXVFPI-QFIPXVFZSA-N 411.929 5.141 0 40 HKAB O[C@H](CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccccc1F 31441890 AXUKZWIVUDNEFC-LJQANCHMSA-N 417.575 5.400 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)CSc4ccc(Cl)cc4)ccc3o2)cc1C 32116736 DJTODXMSKWUGPV-UHFFFAOYSA-N 422.937 6.496 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cc(C)cc(C)c4)cc3)n2)cc1 32578474 RAGYSDQAYBLOSM-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB Cc1sc2nc([C@H](C)SCCC(=O)Nc3cccc(Cl)c3)[nH]c(=O)c2c1C 32778743 DDDYMHLCXBPKIH-LBPRGKRZSA-N 421.975 5.078 0 40 HKAB O=C(COc1ccc(Br)cc1)Nc1cccc(Cl)c1N1CCCCC1 35126732 KWCVNWMADSKCRN-UHFFFAOYSA-N 423.738 5.110 0 40 HKAB COc1ccc([C@H]2CCCN2C(=O)c2sc3ccccc3c2Cl)cc1OC 36395330 RWTRIGWFUPKILS-OAHLLOKOSA-N 401.915 5.549 0 40 HKAB CNc1nc2c(s1)[C@H](c1cccc(OC)c1OCc1ccc(F)cc1)CC(O)=N2 49544847 GULIQLPGQWRXBM-HNNXBMFYSA-N 413.474 5.035 0 40 HKAB NC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 51330113 BERCUEVWTKEGAG-KXXLANPWSA-N 400.309 5.669 0 40 HKAB CN(C)C(=O)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Br)nc2c1 59843051 SEWBHQLSZBJAGN-UHFFFAOYSA-N 414.086 5.266 0 40 HKAB CCOC(=O)c1c(NC(=O)/C=C/c2cc3ccccc3o2)sc2c1CC[C@@H](CC)C2 67339311 DEKSFJCTKRADHD-HBIYDYFMSA-N 423.534 5.838 0 40 HKAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C1CCN(c2nc3ccccc3o2)CC1 72277188 RTWRGJPZMPDTNF-FYYLOGMGSA-N 417.553 5.229 0 40 HKAB Cc1cnc(Nc2cccc([C@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)s1 72375648 VPMHQMJYQRPCSU-HXUWFJFHSA-N 424.545 5.416 0 40 HKAB O=C(O)c1cc(Br)c2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 85386250 JEBAHQKZDAEIPV-UHFFFAOYSA-N 405.251 5.425 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3cnc(Nc4ccccc4)nc3)cn2C)cc1Cl 96037601 FZQMNDWFKIQVDL-UHFFFAOYSA-N 417.900 5.440 0 40 HKAB COc1cccc(Nc2ccc3c([C@@H]4CCCN4Cc4ccc(C)cc4)nnn3c2)c1 96267963 JRWNGXYBDBDDLW-QHCPKHFHSA-N 413.525 5.127 0 40 HKAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N[C@@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c12 101551670 JFULHIBXQNDSLL-RWCSOYMTSA-N 414.553 5.161 0 40 HKAB COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)c(Cl)c1Cl 216321970 HDGCXRGXZGOCIO-AWEZNQCLSA-N 402.343 5.068 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 219686240 FNEOXNGXXKYCLA-MGPUTAFESA-N 420.347 5.129 0 40 HKAB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1Cc1ccccc1 222611233 XUEQYDRPRPVQGM-PDIWNELESA-N 402.567 5.138 0 40 HKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 222911340 KNTHUPXIJCCWGP-NHCUHLMSSA-N 410.974 5.154 0 40 HKAB Fc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224175677 DXWRNCLCMUYORQ-PKTZIBPZSA-N 414.509 5.189 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1c1ccc(Cl)cc1 224460670 FEDLMODKYUYJEW-VXKWHMMOSA-N 422.985 5.829 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2cc(C)ccc2C)c1 224464479 NENJZTLXRJRGBU-IQJJTXKVSA-N 418.562 5.322 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccc(Cl)cc1 224498274 DWMHMUKKGMZAAN-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)NCc1cccc(CN2CCCCC2)c1 224695731 QFYULUIWBHZSNM-UHFFFAOYSA-N 417.018 5.515 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3cccc4c3CCCC4)ccc21 225081488 ZFGTYJXZEDDCJH-SFHVURJKSA-N 412.533 6.099 0 40 HKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C 225098591 PPGUMRCFHAATMC-RUZDIDTESA-N 420.597 5.102 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(I)cc1 225345144 XVPGKLJWXOIYJD-UHFFFAOYSA-N 420.077 5.169 0 40 HKAB S=C(NCCSCc1ccco1)Nc1ccc(CSc2ccccc2)cc1 225347738 VKKXRRRSYFKNPO-UHFFFAOYSA-N 414.621 5.792 0 40 HKAB CCOC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1C 225511068 XHRSAUFDMAOTHR-QHCPKHFHSA-N 418.562 5.556 0 40 HKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 260775118 PIXKHMYUWUHNPK-GQWLDOHISA-N 423.626 5.972 0 40 HKAB O=C(NC1CCCCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408564300 VDKXLNHWMPBMHT-VWLOTQADSA-N 422.594 5.304 0 40 HKAB S=C(NCc1ccccc1)c1cc(Br)ccc1OCc1ccccc1 408575322 NTSQOOBPKAQAHM-UHFFFAOYSA-N 412.352 5.493 0 40 HKAB CCOc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1Cl 408591034 HXBPKBCOYRMDFA-UHFFFAOYSA-N 419.955 5.691 0 40 HKAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1 408700075 ASAIAQBZLYHLLZ-UHFFFAOYSA-N 411.523 5.198 0 40 HKAB CCCN1C(=O)/C(=C\c2cc(Br)c(OCC)c(OC)c2)c2ccccc21 409121379 ZHPXHTRVKWCBBR-WJDWOHSUSA-N 416.315 5.154 0 40 HKAB CCc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)cc1 409121500 YEEVWSSTDCIXDK-UHFFFAOYSA-N 420.767 7.400 0 40 HKAB CCOc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(Cl)cc1 409146754 UJLUYEXGKVCMOF-QHCPKHFHSA-N 424.953 6.015 0 40 HKAB CC1(C)Oc2c(-c3ccccc3)cccc2[C@H]2O[C@@H](Cc3ccc(F)cc3)CC[C@@H]21 585263287 UVPKZVJESIMTOJ-LJGDZFJRSA-N 402.509 6.743 0 40 HKAB CCCOc1ccc(C)cc1-c1ccc(C(=O)O)c(COc2ccc(C)c(C)c2)n1 585265330 LSXLNEUYHAEXJA-UHFFFAOYSA-N 405.494 5.740 0 40 HKAB Brc1ccc(-c2nn3c(CSCc4ccccc4)nnc3s2)cc1 1501040390 PCTHVRIRXFKYJD-UHFFFAOYSA-N 417.357 5.049 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1cc2cc(Cl)cc(Cl)c2oc1=O 845984 XVEPARPOTMNKNW-UHFFFAOYSA-N 413.054 5.115 0 40 HKAB Cc1cccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2cccs2)c1C 1454351 WQHBDQHASKCMJN-UHFFFAOYSA-N 423.538 5.727 0 40 HKAB c1ccc(CSCCC(SCc2ccccc2)SCc2ccccc2)cc1 1636943 NOYHOWXRNVFLBW-UHFFFAOYSA-N 410.673 7.503 0 40 HKAB CCCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 1840483 BVQNSWYZISLYIA-UHFFFAOYSA-N 406.448 5.737 0 40 HKAB COc1ccccc1NC(=O)[C@@H](C)Sc1ncnc2sc(-c3ccccc3)cc12 1971116 KOBRJTSXLVIHOP-CQSZACIVSA-N 421.547 5.486 0 40 HKAB Cc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)NCc3ccccc3)c2c1 2079752 WYDUTUCSFLMFIH-UHFFFAOYSA-N 414.936 6.410 0 40 HKAB COc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(C)cc4)cc2-3)OCO5)cc1 2688450 LFHJBMVTPNFDNV-UHFFFAOYSA-N 423.472 5.297 0 40 HKAB CCSc1nnc2c(n1)O[C@H](/C(C)=C/c1ccc(C(C)C)cc1)Nc1ccccc1-2 2736300 XKJBMDXVEQDPDU-KJLVKZSNSA-N 418.566 6.008 0 40 HKAB CCCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cccnc1Cl 2764171 JNRPICHTWXTSDM-UHFFFAOYSA-N 418.877 5.422 0 40 HKAB CCOP(=O)(OCC)[C@@H](NC(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 3197123 MDBYYDHCBFOTMF-GOSISDBHSA-N 410.838 5.735 0 40 HKAB CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12 3368590 IHQUUCYAGRFCDS-UHFFFAOYSA-N 415.511 5.197 0 40 HKAB N#Cc1ccc(C=Cc2ccc(C=Cc3ccc(C#N)cc3[N+](=O)[O-])cc2)c([N+](=O)[O-])c1 3844959 OMBKGCHLHBHHMG-UHFFFAOYSA-N 422.400 5.587 0 40 HKAB biogenic CC(C)[C@@H](CC(=O)NCC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccco1 4046593 ABWOYWSDRKZXNC-DNVJHFABSA-N 411.586 5.905 0 40 HKAB Cc1ccc(-c2nc(SCC(=O)Nc3cc(C)cc(C)c3)c3ccccc3n2)cc1 4130163 KVYWNIIDUCBPEK-UHFFFAOYSA-N 413.546 5.953 0 40 HKAB CCCCCOc1ccc(C(=O)Nc2c(C(=O)OCC)sc3ccccc23)cc1 4194681 ODUGWGSZQGWVDJ-UHFFFAOYSA-N 411.523 5.899 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Cl)c(Cl)c2)N3)C1 4554572 MNEAXSLJMFOLOY-SGTLLEGYSA-N 423.409 7.025 0 40 HKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC(=O)c4ccco4)cc2)N3)C1 4571367 UCGWJMPFGDJVPT-HXPMCKFVSA-N 408.479 5.114 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)/C=C/c3ccc(OC)c(OC)c3)ccc21 4710437 VKHIOVDLJFJUTR-GXDHUFHOSA-N 400.478 5.484 0 40 HKAB CCOc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3ccc(C)o3)C[C@H]21 4715705 PYHRESQXTDAVMZ-YKSBVNFPSA-N 420.534 5.951 0 40 HKAB Fc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccs4)=NN32)cc1F 4715904 CBIKFGOZVOXVKJ-FXAWDEMLSA-N 402.853 5.922 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1Cl 4776869 ZFRQUSDSZWWSAW-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB COc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(F)cc4)c3c2c1 4970320 RPWTUPGPZMJUCO-UHFFFAOYSA-N 403.844 6.042 0 40 HKAB COc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(Cl)cc3s2)cc1 5142039 ORBWLMLAGZFJSU-UHFFFAOYSA-N 409.898 5.200 0 40 HKAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)n2)cc1 5210936 CICSKYLXEAVYFT-KRWDZBQOSA-N 414.534 5.566 0 40 HKAB COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(F)cc3)cc2O)c1 5248683 AIVVFRBZDPAQQO-UHFFFAOYSA-N 406.413 5.301 0 40 HKAB O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@@H](c2ccc(Cl)cc2)C1 5774351 FWWMDKNWLRPKNQ-JOCHJYFZSA-N 400.865 5.802 0 40 HKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(N4CCCC4)cc3)o2)cc1C 6267343 KAJSNQOZSWPIMR-UHFFFAOYSA-N 419.550 5.290 0 40 HKAB O=C(NCc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)nc2ccccc12 6284595 SSWQKKFMOFDMIK-UHFFFAOYSA-N 407.300 6.139 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C(C)(C)C)cc2)N3)C1 6655303 BSRUSMMDPNGWOD-UWJYYQICSA-N 410.627 7.016 0 40 HKAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)N1N=C(Cl)C=CC1=N2 7003143 PDEXBFUKNXQJQC-FQEVSTJZSA-N 408.292 5.391 0 40 HKAB Cc1cc(C)cc(/N=c2\scc(-c3ccc4c(c3)OCCO4)n2C[C@H]2CCCO2)c1 7654658 VXEQIPBJYUHMPD-CPSPCKPPSA-N 422.550 5.016 0 40 HKAB CCCCOc1ccc(C(=O)NCCc2sc(-c3cccc(F)c3)nc2C)cc1 8609329 ZIDDTBOXGJYOFN-UHFFFAOYSA-N 412.530 5.409 0 40 HKAB CCN1C(=O)c2cc(NC(=O)CCc3ccc(OC)cc3)ccc2Oc2ccccc21 9134581 GEZMFQOGRVQNJV-UHFFFAOYSA-N 416.477 5.039 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)cc1C 9278511 GZTPWMCAKVSRIS-UHFFFAOYSA-N 423.563 5.393 0 40 HKAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)[C@@H](O)CC1(CCC(C(C)(C)C)CC1)O2 9418888 MLWZAIKAVMTMAQ-JAHBGFQISA-N 410.554 5.771 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1cc2ccccc2o1 10587006 PKBOJXAMVUYHIA-UHFFFAOYSA-N 410.256 6.223 0 40 HKAB COc1ccc(C2=CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC[C@H](OC(C)=O)[C@@]5(C)CC[C@H]43)C2)cc1 13408904 KXXIKUQRERCHIS-WHLBUSHHSA-N 422.609 6.663 0 40 HKAB COc1ccc(/C=C(/C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 13649672 UKVIOLNOGXJJAK-KHKYUJEISA-N 413.561 6.411 0 40 HKAB O=c1oc2ccccc2cc1-c1csc(SCc2ccc(O)c3ncccc23)n1 16525690 MMUWMTPBOFBEKD-UHFFFAOYSA-N 418.499 5.463 0 40 HKAB Cc1nc(COc2cccc(C(=O)N[C@@H](c3ccccc3)c3cccs3)c2)cs1 16708913 WMSWPWYFBNKCCK-QFIPXVFZSA-N 420.559 5.611 0 40 HKAB O=Cc1cn(CC(=O)Nc2ccc3ccccc3c2)c2ccc(Br)cc12 17087601 XFQYTCQJGZXDGP-UHFFFAOYSA-N 407.267 5.008 0 40 HKAB COc1cc(CN2CCCCC[C@@H]2c2cc(-c3cccs3)on2)cc(OC)c1O 19549401 JTJWCIDTEGXZNP-QGZVFWFLSA-N 414.527 5.243 0 40 HKAB Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)ccc1-c1ccc(CO)o1 20144239 ZNKBALAOGKVRNG-UHFFFAOYSA-N 406.265 5.072 0 40 HKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(-c2ccc(CO)o2)c1 20144928 PFPIVQKXKVNGMK-UHFFFAOYSA-N 405.494 5.504 0 40 HKAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccc(C(F)(F)F)c1 20445587 AYKVIVYJZFRVSB-UHFFFAOYSA-N 409.795 5.370 0 40 HKAB CCc1ccc2oc(C(=O)NC[C@H](c3ccc(C)o3)N3CCC(C)CC3)c(C)c2c1 21659830 IHWDNVFTLTWDJR-OAQYLSRUSA-N 408.542 5.408 0 40 HKAB Cc1cc(SCC(=O)Nc2ccc(Br)cc2F)nc2ccccc12 23561251 DMMNAVHHAXNLHD-UHFFFAOYSA-N 405.292 5.176 0 40 HKAB Cc1cc(Nc2cccc(Cl)c2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 27585668 HDQJZZIFXWKAKW-UHFFFAOYSA-N 402.807 6.121 0 40 HKAB Cc1nc(COc2ccc(C(C)(C)C)cc2)sc1C(=O)Nc1ccc(C(C)C)cc1 27912760 ZPABSJJGQMKNIR-UHFFFAOYSA-N 422.594 6.704 0 40 HKAB O=C(Nc1ccccc1Cl)[C@@H]1CC(O)=Nc2cc(-c3ccc(Cl)cc3)nn21 32094414 PKQHWVKKGNLDRT-INIZCTEOSA-N 401.253 5.028 0 40 HKAB COc1ccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1 32127255 ZLVFQDJWNBBPAZ-UHFFFAOYSA-N 424.456 5.674 0 40 HKAB Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)Cc1cccs1 32610642 HARVUCYYQAVWOD-UHFFFAOYSA-N 410.326 5.086 0 40 HKAB CC(=O)Nc1cccc(NC(=O)CC2(Cc3nc4ccccc4s3)CCCC2)c1 32722000 DCGDTLVEVQPVOD-UHFFFAOYSA-N 407.539 5.386 0 40 HKAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(-c2cccc(Cl)c2)o1 33783065 OAKLBKJPRZTHSB-UHFFFAOYSA-N 401.293 6.106 0 40 HKAB Oc1cccc(-c2nc3ccc(Cl)cn3c2Nc2ccc(Br)cc2)c1 35615929 GHHZTXBLSLSSBJ-UHFFFAOYSA-N 414.690 5.866 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 39942113 LNGLEOIUQBVRRY-HHZICVRHSA-N 400.647 6.856 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c1 44950264 OIPMPUCJYCNTCN-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1ccc(C[C@H](c2nc3ccccc3[nH]2)c2nc(-c3ccccc3)cs2)cc1 57523633 KOXAFLXELIJLTO-HXUWFJFHSA-N 411.530 6.070 0 40 HKAB CC[C@H](NC(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1)c1cccs1 58355661 GBZAAEHEAOENCT-FQEVSTJZSA-N 422.554 5.651 0 40 HKAB O=C1O/C(=C\c2cccc3ccccc23)c2c(-c3ccccc3)ccc(-c3ccccc3)c21 59501021 ROEUDWJVOGZNDS-RRAHZORUSA-N 424.499 7.842 0 40 HKAB O=c1c2ccccc2c(-c2nc(-c3cccc(F)c3)no2)cn1-c1ccc(Cl)cc1 67245387 NTOVFVICYMFIRZ-UHFFFAOYSA-N 417.827 5.500 0 40 HKAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2C)n1 67296821 XLFCQXIOQQALBG-RWEWTDSWSA-N 403.869 5.583 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2C)c(C)c1 67297273 CUTKYVBEFODTES-FVDSYPCUSA-N 400.453 5.982 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)N[C@H]1CCSc2c(F)cccc21 84667872 LXJRKJAKZOCKCU-DOMZBBRYSA-N 401.532 5.375 0 40 HKAB Cc1cc(C)c(N2C(=O)[C@H]3[C@@H](c4ccccc4)C=C[C@H](c4ccccc4)[C@@H]3C2=O)c(C)c1 100539884 DFQXSXPRPJMBGK-XPGKHFPBSA-N 421.540 5.855 0 40 HKAB CCCCCn1c(=O)c(C(=O)Nc2cccc(C(F)(F)F)c2)c(O)c2ccccc21 100679115 WJCFGVXMBFPOTL-UHFFFAOYSA-N 418.415 5.168 0 40 HKAB O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1ccc(F)cc1Cl 106733531 MMLXYGDDOHBQSQ-ODLFYWEKSA-N 413.857 5.976 0 40 HKAB Cc1cc2ncn(CCC(=O)Nc3cccc(CN4CCCC[C@@H]4C)c3)c2cc1C 141576409 YKHMRTLZLVCBEE-FQEVSTJZSA-N 404.558 5.056 0 40 HKAB Cc1ccc(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c(C)c1 223423788 RLNFBKSJRJKOLH-OQKWZONESA-N 405.925 5.693 0 40 HKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 223787478 KSQRRJINMAQLOQ-YADHBBJMSA-N 406.555 5.040 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccs2)N1c1ccc(Br)cc1 224483635 BYNRODNPBYUQBM-DLBZAZTESA-N 416.369 5.083 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1OCC 224615221 XGVXSRQYQKWXKU-ZWKOTPCHSA-N 411.542 5.008 0 40 HKAB CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224625275 GXEAIYWYSWAYSN-UHFFFAOYSA-N 412.697 5.010 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(CSc3ccccc3)c2)cc1 224656651 MCPCOTVYSIGCOW-UHFFFAOYSA-N 419.590 6.973 0 40 HKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225163778 VOOULUIOTYGESX-QGZVFWFLSA-N 404.919 5.093 0 40 HKAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(Br)c(C)c1 225625125 QTGJGHVVWLHGRR-UHFFFAOYSA-N 421.404 5.466 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225827075 PPGLYYWEMNVRBD-HXOBKFHXSA-N 407.551 5.355 0 40 HKAB CC(C)C(=O)N[C@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cc(Cl)ccc2O)C1 257304125 SKEJMOQPFSYKDJ-TUNNFDKTSA-N 422.352 5.823 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCCN2C(=O)[C@H](C)Cn2ccc(C)n2)n1 257314284 UWFCGBMIOTVUKT-OSPHWJPCSA-N 420.532 5.091 0 40 HKAB CCOc1ccc(N[P@](=O)(O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c2ccccc2)cc1 263621541 IRXPWPJDQDPAQU-XWKOWCJTSA-N 415.514 6.493 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(F)cc2)cc1 408698979 QOQGHNDGIQTGBR-UHFFFAOYSA-N 416.456 5.033 0 40 HKAB O=C(Nc1ccc2ccccc2c1)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 408699213 VMZHPKIUNCPVRK-UHFFFAOYSA-N 424.891 5.993 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 408705765 MZAVDBSKPAGMME-CQSZACIVSA-N 402.277 6.192 0 40 HKAB COc1ccc([C@@H](CC(=O)c2ccc(Br)cc2)Nc2cccc(C)c2)cc1 670428487 PFOXZTKCZUMEHR-JOCHJYFZSA-N 424.338 6.192 0 40 HKAB c1ccc2c(c1)C[C@@H]1OC(C3(C4=N[C@@H]5c6ccccc6C[C@@H]5O4)CCCCCC3)=N[C@H]21 2113428286 GEDBYJPWMQLKNP-CJRSTVEYSA-N 412.533 5.516 0 40 HKAB CCc1ccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)cc1 904235 CBLQUOKPSJYBML-UHFFFAOYSA-N 405.548 5.652 0 40 HKAB Cc1ccc(C(=O)N2CCc3cc(-c4csc(NC5CCCCC5)n4)ccc32)cc1 1354381 RJLFDOLCWWSZPM-UHFFFAOYSA-N 417.578 6.066 0 40 HKAB CC(C)Oc1ccc(CNCC[C@H](c2ccccc2)c2ccc(OC(C)C)cc2)cc1 1898691 WHJQRCMYEWBSAD-MUUNZHRXSA-N 417.593 6.573 0 40 HKAB biogenic CCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 2050761 IERSFNYPWHPZFD-UHFFFAOYSA-N 402.519 6.313 0 40 HKAB O=C(NC(=S)Nc1ccccc1C(F)(F)F)C(c1ccccc1)c1ccccc1 2052189 JUVAWWYRLJRUJI-UHFFFAOYSA-N 414.452 5.351 0 40 HKAB O=C(c1ccccc1)c1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1 2248672 PVHQNRFWWZKPMS-UHFFFAOYSA-N 400.481 6.642 0 40 HKAB CCCCn1nc(NC(=O)c2ccc(OCC)cc2)c2cc3cccc(C)c3nc21 2328976 PKDAZVBZDWYTIJ-UHFFFAOYSA-N 402.498 5.344 0 40 HKAB Cc1nnc2c3c4c(sc3ncn12)[C@H](c1ccccc1)S[C@@H](c1ccccc1)C4 2349353 ZYIZZRZMXVJXGX-QUCCMNQESA-N 414.559 5.767 0 40 HKAB O=C(Nc1ccccc1N1CCCCC1)c1sc2cc(Cl)ccc2c1Cl 2413225 CYCSGKDSNLOOJG-UHFFFAOYSA-N 405.350 6.451 0 40 HKAB O=C(Nc1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2Cl)c1)c1cccnc1 2748437 AVPSKAQNQHOZBP-UHFFFAOYSA-N 420.683 5.546 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 3318915 VUBNOAXIBBXZGT-JOCHJYFZSA-N 411.486 5.934 0 40 HKAB CCC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)Cc1ccccc1 4043427 ZDBBRQSWYMQDPX-XNMGPUDCSA-N 407.598 5.897 0 40 HKAB biogenic COc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(Cl)cc3)sc2c1 4273165 UKFCGNCCRXJRNP-UHFFFAOYSA-N 409.898 5.200 0 40 HKAB CC(C)COC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(C(C)(C)C)cc1 4526208 DCVFPZFZMLWFCH-STZFKDTASA-N 413.945 5.608 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)c(C)c1 4553943 KCLTYINWMBIOKW-UHFFFAOYSA-N 400.909 6.733 0 40 HKAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(C)cc2)n2c(nc3ccccc32)N1 4742056 ZGAPYHXAIPPAKC-QHCPKHFHSA-N 412.468 5.411 0 40 HKAB Cc1cccc2cc(CN(C(=O)c3cccc(F)c3)C3CCCCC3)c(Cl)nc12 4861345 QGONVIQCBRWRGF-UHFFFAOYSA-N 410.920 6.311 0 40 HKAB COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(F)cc2Cl)c2ccccc2)c1 4913474 HPFUOLCQWMXFHD-HXUWFJFHSA-N 413.832 5.025 0 40 HKAB CCCCNC(=O)c1c(NC(=O)c2cccc(OC(F)F)c2)sc2c1CCCC2 5176713 VLUMHFWTBGTGND-UHFFFAOYSA-N 422.497 5.011 0 40 HKAB CCSc1cccc(C(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)c1 5241138 VLHKUJLQXMPRHC-UHFFFAOYSA-N 400.525 5.192 0 40 HKAB Brc1ccc(C2=C[C@H](c3cccc4ccccc34)[C@H]3N=NNC3=N2)cc1 6147413 MSEFQYCCXCIQEH-UYAOXDASSA-N 403.283 5.478 0 40 HKAB CC(C)c1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3n2C(C)C)c(C(C)C)c1 6313635 KADJAPBIJMRNKW-GOSISDBHSA-N 408.611 7.228 0 40 HKAB O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1c(Cl)cccc1Cl 6510579 ZHJVTWMWADGBPY-UHFFFAOYSA-N 402.633 5.049 0 40 HKAB Clc1cccc(-c2cnc(CSc3nnc(C4CC4)n3-c3ccccc3)o2)c1 6821000 VXWRVCJCEOQJOH-UHFFFAOYSA-N 408.914 5.745 0 40 HKAB CCOc1ccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=NCCCCC2)cc1 6870362 DKWOBHMCDDDEJI-UHFFFAOYSA-N 416.468 5.349 0 40 HKAB Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nc3c(s2)CCCC3)c1 7014796 FXRUGJDYWVZIEP-UHFFFAOYSA-N 414.534 5.435 0 40 HKAB COCc1ccc(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 7542209 PDUBKADMJKLJQE-OAQYLSRUSA-N 418.924 5.530 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1SC[C@H]1CCCO1 8327449 BUUNPJQWZAKOMV-HZPDHXFCSA-N 412.580 5.401 0 40 HKAB c1ccc([C@@H]2c3c(ccc4ccccc34)Oc3ncn4nc(-c5ccco5)nc4c32)cc1 8682635 DYDPIRFFFRZEPO-OAQYLSRUSA-N 416.440 5.823 0 40 HKAB c1ccc([C@H]2c3c(ccc4ccccc34)Oc3ncn4nc(-c5ccco5)nc4c32)cc1 8682636 DYDPIRFFFRZEPO-NRFANRHFSA-N 416.440 5.823 0 40 HKAB COc1ccc(OC)c([C@H]2CCCN2Cc2ccc(C(=O)Nc3ccccc3)cc2)c1 8719368 NXERYDQSZQBZDA-XMMPIXPASA-N 416.521 5.293 0 40 HKAB O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)c1ccc2[nH]cnc2c1 8725549 LBEFNQXBQFNVBZ-UHFFFAOYSA-N 408.533 5.729 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(CSCc2ccccc2F)s1 9136918 QENXMHPADVBTAJ-UHFFFAOYSA-N 408.911 5.408 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)c1 9661796 RSONDXHBCQUTLZ-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Fc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2cc4c(cc23)OCCO4)cc1 9675960 JVHIYESZFVZOGZ-UHFFFAOYSA-N 415.399 5.290 0 40 HKAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 9754486 JFZPMLXYNGBAEC-JOCHJYFZSA-N 422.488 5.240 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C 10513142 ZYUYJHJAUNDAEA-UHFFFAOYSA-N 402.498 5.956 0 40 HKAB O=C(CCc1ccc(-c2ccc(F)cc2)o1)Nc1ncc(Cc2ccc(F)cc2)s1 11666866 JLMNVBZATSJYJE-UHFFFAOYSA-N 424.472 5.843 0 40 HKAB O=C(c1cccs1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc2nccnc2c1 12420901 HXAKDTDQOKEGSX-FQEVSTJZSA-N 418.909 5.336 0 40 HKAB Fc1ccc(OCc2nc(CSc3ncc(-c4ccc(F)cc4)o3)cs2)cc1 12858164 NIPHQZGLJBHGKN-UHFFFAOYSA-N 416.474 5.948 0 40 HKAB CC(C)CC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1 13012851 QXTKFYGMXXFORJ-UHFFFAOYSA-N 400.478 5.155 0 40 HKAB CC(=O)N(c1nc(CSc2ncnc3sccc23)cs1)c1ccccc1F 13115725 HHOGXYKVGJTXQD-UHFFFAOYSA-N 416.528 5.264 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccccc2)c(C)c1 13669228 GTFZUWCZFCPRKS-UHFFFAOYSA-N 405.519 5.716 0 40 HKAB COc1ccc(-c2nn(Cc3ccc(C)cc3)c(-c3ccc(OC)cc3)c2Cl)cc1 13960473 QSCJQGUYEVZRFL-UHFFFAOYSA-N 418.924 6.244 0 40 HKAB COc1ccccc1NC(=O)c1cc(-c2cc(C)sc2C)nc2c1cnn2C(C)C 14104499 VHASXLVFYJTRGH-UHFFFAOYSA-N 420.538 5.618 0 40 HKAB Cc1ccc([C@H](C)C(=O)N2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1 19135801 FOSDSNOWHXGXPM-AWEZNQCLSA-N 413.468 5.287 0 40 HKAB Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)c(Cl)c2)cc1 20025238 MMAJTKCIBUGGFG-UHFFFAOYSA-N 409.251 6.082 0 40 HKAB O=c1[nH]c2cc(Cl)ccc2c(-c2ccccc2)c1Sc1nc2ccccc2s1 20427844 MJDAYFMZOCFVMV-UHFFFAOYSA-N 420.946 6.609 0 40 HKAB CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2s1 21595965 JFGPZWFCGOHONH-UHFFFAOYSA-N 401.491 5.564 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccccc1OC[C@@H]1CCCO1 21843745 QSNFVWDEMBIMDS-LBPRGKRZSA-N 420.943 5.335 0 40 HKAB Cc1ccc(N(Cc2cccs2)C(=O)c2ccc(Br)cc2)cc1C 27739882 AIPOEZHGVVNBSL-UHFFFAOYSA-N 400.341 5.974 0 40 HKAB CC(=O)Nc1ccc(SCC(=O)Nc2cccc(COc3cccc(F)c3)c2)cc1 31398991 VJQKXDLMCOTTOJ-UHFFFAOYSA-N 424.497 5.094 0 40 HKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3cc4ccccc4o3)sc2c1 32118615 JIIOPXHCWHQDRA-UHFFFAOYSA-N 409.536 5.512 0 40 HKAB Cc1cc(C)c(C)c(C(=O)CSc2nnc([C@H](C)Oc3ccc(F)cc3)o2)c1C 32945465 GILVCYVUFYFETC-INIZCTEOSA-N 414.502 5.557 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3c(C)nn(C)c3n2)cc1 36613403 KGQVXGZYNJICAY-UHFFFAOYSA-N 420.900 5.166 0 40 HKAB Cc1ccc(-c2cc3c(SCc4cccc(C(F)(F)F)c4)nccn3n2)c(C)c1 45925464 XGNCWCRLXAHSPV-UHFFFAOYSA-N 413.468 6.324 0 40 HKAB CC(=O)c1cc2c(N)c(C(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)sc2nc1C 58444242 LGZNHUJOFBSVDU-MRVPVSSYSA-N 422.337 5.187 0 40 HKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1Cc1ccccc1)C1CCC1 72215491 WDWSXUHVCFCRTC-QFIPXVFZSA-N 407.558 5.713 0 40 HKAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2Cc2cc(C)ccc2OC)n1 72390693 SJTYLSQSPACOMM-QHCPKHFHSA-N 416.569 5.535 0 40 HKAB CN(Cc1ccccc1C(F)(F)F)C(=O)Nc1cc2c(cc1Cl)OCCCO2 89361458 ZSPIBLFFKFGJKS-UHFFFAOYSA-N 414.811 5.184 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc([C@H](O)c2cccs2)s1 90613638 CSGGDKSMXMPTFD-GOSISDBHSA-N 421.971 5.019 0 40 HKAB CCCCc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1 98211443 KKVNJKQVNXLHJW-UHFFFAOYSA-N 418.472 5.326 0 40 HKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc2c(c1)OCO2)c1ccc(F)cc1 101357092 ICSFZVCXYPMKGV-UHFFFAOYSA-N 419.433 5.049 0 40 HKAB COc1cc(Br)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2 146121772 YRCJVRBLNIJJIV-UHFFFAOYSA-N 402.075 5.126 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 219343258 SCGHTQKNTASELU-OAQYLSRUSA-N 415.493 5.014 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 224940425 XNVLPOOTHYPDLN-LYBHJNIJSA-N 416.952 6.510 0 40 HKAB COC(=O)c1cc(NC(=S)NCCCSCc2ccccc2C)ccc1Cl 225601287 BXMSYAIKNVXWHU-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)c2cccnc12 225906869 PKZJUVVBZXFWSF-UHFFFAOYSA-N 414.590 6.220 0 40 HKAB Cc1cc(Br)ccc1-c1ccc(C(=O)Nc2c(C)cc(N)cc2Cl)o1 226756267 YTMGBRLNEHCNTG-UHFFFAOYSA-N 419.706 5.814 0 40 HKAB CCc1s/c(=N\C(=O)c2ccc(OC)c(OC)c2)n(CC)c1-c1ccc(C)c(C)c1 408561711 KKQAPOWFQMMJLR-IZHYLOQSSA-N 424.566 5.174 0 40 HKAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 408624536 XQYMMHQDCBMXLY-UHFFFAOYSA-N 404.853 5.520 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(F)cc3)n2)c(C)c1 408694871 MWGVTGCCSJRABQ-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2cc(C)ccc2C)c1 408699484 ULLIIWBKVCEXOP-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CC(C)CN1C(=O)/C(=C\c2ccccc2OCc2ccc(F)cc2)c2ccccc21 409119478 PUVREACSXWOGTR-HAHDFKILSA-N 401.481 5.948 0 40 HKAB COc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)c(Cl)c1Cl 409135504 RQOXBKOHPALZKW-UHFFFAOYSA-N 424.305 5.595 0 40 HKAB CC(C)(C)OC(=O)N1CCC(c2ccc(Br)cc2)(C(F)(F)F)CC1 1535647351 LMQMDPKWKJHDNS-UHFFFAOYSA-N 408.258 5.280 0 40 HKAB Cc1ccc(-c2csc(N(Cc3ccco3)C(=O)c3ccccc3Cl)n2)cc1 932723 FQJMPYDPQXKJMA-UHFFFAOYSA-N 408.910 6.212 0 40 HKAB O=C(Nc1ccccc1F)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 1161841 NGVRSBNRMSSTET-UHFFFAOYSA-N 421.435 5.145 0 40 HKAB CCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCCC1)Cc1ccccc1-2 1241518 AGWQQWRGNYSICK-UHFFFAOYSA-N 406.551 5.422 0 40 HKAB biogenic O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN1C(=O)Nc1ccc(F)cc1 1355205 OJYCNLBGQFGNAQ-JOCHJYFZSA-N 419.456 5.253 0 40 HKAB Clc1ccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccc(Cl)cc3)c2)cc1 1661224 BAJUYIOFBOPJCJ-UHFFFAOYSA-N 409.743 8.648 0 40 HKAB O=C(Oc1ccc(O)cc1)N(c1cccc2ccccc12)c1cccc2ccccc12 1732212 XRCMRGUUYUGXTF-UHFFFAOYSA-N 405.453 7.036 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3cc(C)ccc3C)c3cc(C)cc(C)c3n2)cc1 2079768 KGPBFSVLSJNTTN-UHFFFAOYSA-N 410.517 6.396 0 40 HKAB Cc1ccccc1NCc1ccc(OCc2ccc(F)cc2)c(Br)c1 2094078 MNCVCYJBLKLITP-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@@H](C)C3 2296425 VBCWUUQHZWZVHU-CYBMUJFWSA-N 400.569 5.083 0 40 HKAB COc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1F 2622603 QXYVFSRWPHKRPA-UHFFFAOYSA-N 406.486 5.078 0 40 HKAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cc(Cl)ccc1Cl 3340187 YTZYZRHXOHILIK-JOCHJYFZSA-N 424.283 6.256 0 40 HKAB O=C(O)C/C(=C\c1cccc(Oc2ccc(Cl)cc2)c1)c1nc2ccccc2s1 3884681 MNEVNDWMLGHQKV-FOWTUZBSSA-N 421.905 6.757 0 40 HKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)nc2c1 4703864 AXBZCLZGTVXVFQ-UHFFFAOYSA-N 420.896 6.289 0 40 HKAB COc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3ccc(F)cc3)C[C@H]21 4715851 KJVAJZAJVZWKBQ-QPPBQGQZSA-N 420.509 5.799 0 40 HKAB COc1ccccc1C(=O)N(Cc1cc2cccc(C)c2nc1Cl)C1CCCCC1 4861341 NBXFVWAHWVBWJD-UHFFFAOYSA-N 422.956 6.180 0 40 HKAB CCOc1ccc2nc(Cl)c([C@H]3NC(=O)c4c(sc5c4CCCC5)N3)cc2c1 5007457 JQYPCEZXPBUCQQ-IBGZPJMESA-N 413.930 5.081 0 40 HKAB O=C(NCc1ccccn1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 5031887 NNDAFHZMYZKVOO-GZZOYEKPSA-N 409.533 5.308 0 40 HKAB O=C(CN1C(=O)C[C@@H](c2ccco2)Sc2ccccc21)Nc1ccc(Cl)cc1 5053328 ZLHFWKVUNGSAIZ-IBGZPJMESA-N 412.898 5.142 0 40 HKAB O=C1O[C@@](c2cccc3c(O)cccc23)(c2ccc(O)c3ccccc23)c2ccccc21 5224305 FYTQPKHDZGMAGQ-MUUNZHRXSA-N 418.448 5.867 0 40 HKAB COc1ccc2c(c1)CCc1c-2nn(-c2nc3ccccc3s2)c1C(F)(F)F 5274829 DXZBNDZLSFLFPH-UHFFFAOYSA-N 401.413 5.275 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C)c(Cl)c4)c3)nc2c1 6440216 RKNLEDVISUURSK-OAHLLOKOSA-N 418.924 7.222 0 40 HKAB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(-c2ccccc2)cc1 6616224 GYRIDSKJEAAERQ-UHFFFAOYSA-N 415.562 5.471 0 40 HKAB Cc1nc(-c2cccs2)sc1-c1ccc(SCC(=O)c2ccccc2)nn1 7446706 LDMXFWRFHBOSQD-UHFFFAOYSA-N 409.561 5.612 0 40 HKAB COc1ccc(-c2nn(-c3ccccc3)c3c2cnc2cc(OC)c(OC)cc23)cc1 7615848 MIURJRSMRTTXDI-UHFFFAOYSA-N 411.461 5.267 0 40 HKAB c1ccc(CN2CCC(Nc3ncnc4sc(-c5ccccc5)cc34)CC2)cc1 7783056 KBPNJCCORFMDHJ-UHFFFAOYSA-N 400.551 5.435 0 40 HKAB Cc1ccccc1CS[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 8071793 ZZJQBPXHOFHJPW-CYBMUJFWSA-N 404.507 5.657 0 40 HKAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@H](c2nc3ccccc3s2)C1 8104608 UKZSYULJEBEAMO-SFHVURJKSA-N 403.551 5.507 0 40 HKAB COc1c(C)cnc(CSc2nnc(-c3cccnc3)n2C2CCCCC2)c1C 9356333 GWDQLZIFWRRBJC-UHFFFAOYSA-N 409.559 5.158 0 40 HKAB Cc1nc2sc(C(=O)c3ccccc3)c(NC(=O)c3ccccc3)c2c(C)c1Cl 12444715 CPOVUFXRKBTVHO-UHFFFAOYSA-N 420.921 6.050 0 40 HKAB Cc1nc(Sc2nc3ccccc3s2)c2sc(=S)n(-c3ccccc3)c2n1 12463257 WIPXCWRAYBDNPT-UHFFFAOYSA-N 424.601 6.281 0 40 HKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1ccc2ccccc2c1 12481770 JUWGIAPVOAPXIW-UHFFFAOYSA-N 415.320 5.176 0 40 HKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 13684719 JAJRNXLNKVOYKU-SFHVURJKSA-N 402.494 5.046 0 40 HKAB CC(=O)c1cccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c1 15881151 FNJMBNOZKRNOBW-UHFFFAOYSA-N 415.489 5.434 0 40 HKAB CC[C@@H](C)c1ccccc1O[C@@H](C)CNc1cccc(OCCOc2ccccc2)c1 19738414 MYZVDWBHRSEPHR-YADHBBJMSA-N 419.565 6.537 0 40 HKAB Cc1ccc(-c2nnc(S)n2-c2ccc3c(Cl)c(C(=O)O)sc3c2)cc1 20394253 MBEZJQCOGOYASL-UHFFFAOYSA-N 401.900 5.098 0 40 HKAB CC(C)[C@H](NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1cccs1 21494761 SPGNUEITWKUQGI-CVDCTZTESA-N 420.578 5.267 0 40 HKAB CCCCOc1ccc(-c2csc(NC(=O)COc3c(C)cccc3C)n2)cc1 28048139 MNNGNSNIGOURKM-UHFFFAOYSA-N 410.539 5.623 0 40 HKAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H]1CCSc2ccc(F)cc21 31712057 AQPQKUWKBABQAZ-HZMBPMFUSA-N 400.302 5.253 0 40 HKAB Fc1ccc(-c2noc(COc3ncnc4scc(-c5ccccc5)c34)n2)cc1 35684940 XYZBWCUVOXJXMT-UHFFFAOYSA-N 404.426 5.126 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 39747735 ZANGUUIOYPHTCL-UHFFFAOYSA-N 402.941 5.762 0 40 HKAB Cc1ccc(CN2CCC(C(=O)Nc3ccccc3C(=O)c3ccccc3)CC2)cc1 44915828 JHSMPLRETDRTBG-UHFFFAOYSA-N 412.533 5.077 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2cc(-c3nnco3)ccc2C)cc1OCC 47320663 ZWZZSTBARYXSJX-UHFFFAOYSA-N 415.877 5.138 0 40 HKAB CCn1ccnc1CN1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72358238 RTYQBQJZQXCSTB-OAQYLSRUSA-N 414.475 5.245 0 40 HKAB CC(C)c1nc(C2(NC(=O)N[C@H](C)c3ccc(-c4ccncc4)cc3)CCCC2)no1 95963325 WDUKMJXGBWZINA-QGZVFWFLSA-N 419.529 5.085 0 40 HKAB O=C(O)CCC/C(=C/c1cc(Cl)c2c(c1)OCO2)c1nc2ccccc2s1 97996526 POYXXWMMVSQOLY-JYRVWZFOSA-N 401.871 5.474 0 40 HKAB OC1=C2C(=Nc3ccccc3S[C@@H]2c2cc(Cl)ccc2Cl)c2ccccc21 100702217 VDRFZQVRKQLURM-JOCHJYFZSA-N 410.325 7.244 0 40 HKAB CCOC(=O)c1c(NC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)sc2c1CCC2 102443617 QQUITJMKNQXIMQ-SOCOAQSPSA-N 401.572 5.349 0 40 HKAB CC1(C)C[C@]23Oc4ccccc4N2C(c2ccccc2)=C[C@H](c2ccccc2)[C@H]3CO1 102666321 FVYWBKDBHKJWES-MVOZIGHISA-N 409.529 6.235 0 40 HKAB COc1cccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1OC 214397207 CCXCFKKDWNLMLX-LZYBPNLTSA-N 424.305 5.247 0 40 HKAB CC1(C)C[C@@H](NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c2ccccc2O1 219771258 XAHHZBICJJGFTP-OAQYLSRUSA-N 421.924 5.951 0 40 HKAB S=C(NCC1(c2ccccc2)CCCC1)Nc1ncc(Cl)cc1Br 223970510 ACPLMAOLBMFBSW-UHFFFAOYSA-N 424.795 5.296 0 40 HKAB COc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccc(C(C)(C)C)cc1 224178265 VDEGSLRMJVLVBR-UHFFFAOYSA-N 409.570 6.024 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OCc2ccccc2)cc1 225310795 ZUIIMUAWFLIYGK-AREMUKBSSA-N 415.533 5.941 0 40 HKAB CCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccccc2)n(Cc2ccccc2)n1 257303129 SFXNSMHHLRFWPQ-UHFFFAOYSA-N 412.489 5.291 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 408703231 PBCXRQIFOZXHTP-QGZVFWFLSA-N 411.954 6.347 0 40 HKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cccc(Cl)c1 408905972 BNHQKZWZBHTZHT-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB N=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1c1ccc2c(c1)OCO2 408978837 NLSPRVNBWSSLMF-OZYICTPTSA-N 424.865 5.384 0 40 HKAB O=C(NCCc1ccccc1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409136839 VWGDBASJKRRHRG-WTBBXUJBSA-N 422.572 5.956 0 40 HKAB c1ccc(C2(c3noc(CCCOc4cccc5ccccc45)n3)CCOCC2)cc1 568327240 RMTCXDQFZVXUDU-UHFFFAOYSA-N 414.505 5.331 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cc(Cl)ccc1Cl 865589 CAINUZLVLUKGIB-UHFFFAOYSA-N 401.224 6.193 0 40 HKAB COc1ccc([C@@H]2NCCc3c2[nH]c2ccccc32)cc1COc1ccc(F)cc1 985702 NYWREHRGJLDICR-DEOSSOPVSA-N 402.469 5.130 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)c1 1221523 WOBGLSYXNGYMRL-UHFFFAOYSA-N 420.582 5.413 0 40 HKAB CCc1nc(SCC(=O)Nc2ccc(N(CC)CC)c(C)c2)c2ccccc2n1 1332570 GAFMQAJLAAXQHN-UHFFFAOYSA-N 408.571 5.078 0 40 HKAB COc1ccc(-c2cc3nc4c(c(NCc5ccccc5F)n3n2)CCCC4)cc1 1341552 ZHQOPNPJAAEZNW-UHFFFAOYSA-N 402.473 5.035 0 40 HKAB O=C(c1ccccc1)c1oc2ccccc2c1CS(=O)(=O)c1ccc(Cl)cc1 1388654 KTTGBSXYQOWAQJ-UHFFFAOYSA-N 410.878 5.291 0 40 HKAB C[C@H]1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C[C@H](C)O1 1447620 RNEFFOIJRPZVFW-IRXDYDNUSA-N 418.928 5.355 0 40 HKAB Cc1oc2cc(OC(=O)c3ccccc3)ccc2c(=O)c1-c1nc2ccccc2s1 1447906 BGHSNZUWQXKWTP-UHFFFAOYSA-N 413.454 5.597 0 40 HKAB biogenic Cc1ccc(C)c(Oc2coc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)c1 1774630 CMOICRTYEWHGQA-UHFFFAOYSA-N 406.865 6.435 0 40 HKAB COc1ccc2c(c1)-c1c(sn(-c3ccc(Cl)c(Cl)c3)c1=S)C(C)(C)N2 2055964 VOVXHTDYBOMWKP-UHFFFAOYSA-N 423.390 6.911 0 40 HKAB CCCNC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccc(Br)cc12 2105645 ZJIWQERZMVMAQK-UHFFFAOYSA-N 411.343 5.928 0 40 HKAB Cc1ccc(C(F)(F)F)cc1N[C@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl 2274083 QYDHRDAKTQYWCX-CYBMUJFWSA-N 415.626 5.145 0 40 HKAB CCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccc(OC)cc2)no1 2336420 AIMUSLDPRAGSSY-UHFFFAOYSA-N 415.449 5.063 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(Cl)cc2C)cc1 2417209 ILHAWGXHXBQQMQ-UHFFFAOYSA-N 420.896 5.113 0 40 HKAB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1Cl 2452715 OPULEFMYWNDMEP-UHFFFAOYSA-N 414.962 5.274 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1C 2661183 NDVACJGSNGGFTG-XMMPIXPASA-N 414.461 5.096 0 40 HKAB CCOc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 2714085 AXVAJGJYUQETCB-UHFFFAOYSA-N 406.489 6.230 0 40 HKAB O=C(Nc1ccc(-c2noc(COc3ccccc3Cl)n2)cc1)c1cccs1 2931012 SFNFKEJKHGUSFT-UHFFFAOYSA-N 411.870 5.283 0 40 HKAB Cc1cccc(NCN2C(=O)S/C(=C\c3c(Cl)cccc3Cl)C2=O)c1C 3067948 GUDALXSYGOBLNZ-MFOYZWKCSA-N 407.322 5.716 0 40 HKAB O=C(c1snc2ccc(Cl)cc12)N(c1ccccc1)c1ccc2ccccc2c1 3194568 MIHSUOHJZQZEOQ-UHFFFAOYSA-N 414.917 7.081 0 40 HKAB O=C(O[C@@]1(C(F)(F)F)C(=O)N(c2ccccc2)c2ccccc21)c1ccc(F)cc1 3198126 UDPBHNMPDUCWOJ-OAQYLSRUSA-N 415.342 5.119 0 40 HKAB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)N[C@@H]1c1ccc(Cl)cc1 3418744 QSSPJWUENMIMIX-GOSISDBHSA-N 405.281 5.101 0 40 HKAB CC(C)CCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 3628070 XWPCRYUAGZERPA-UHFFFAOYSA-N 412.603 5.747 0 40 HKAB CCc1ccc(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)cc1 4033283 NUXHWOZRICJENT-JOCHJYFZSA-N 409.533 5.362 0 40 HKAB O=C1[C@H]2CCCCN2c2ccc(C(F)(F)F)cc2N1Cc1c(F)cccc1Cl 4052862 PARBDONOWLEWCV-QGZVFWFLSA-N 412.814 5.404 0 40 HKAB Cc1ccc(Oc2ccc(OC(=O)COc3ccc(Br)cc3)cc2)cc1 4071607 WCQSLXJRLSFSQF-UHFFFAOYSA-N 413.267 5.534 0 40 HKAB Cc1sc2ncnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)c2c1C 4130128 ZWYCSIVZUQRFLU-UHFFFAOYSA-N 412.565 5.162 0 40 HKAB CC1CCN(C(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc23)CC1 4130351 QSTJTXWMGVIOPC-UHFFFAOYSA-N 411.958 5.301 0 40 HKAB O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@H]1CN3C[C@H]1CCC[C@H]21)c1ccc(Cl)cc1 4181046 XEGWPHFMPASJSA-BTYSMDAFSA-N 406.957 6.193 0 40 HKAB CCCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccc(Cl)cc1 4328784 KGQZMKVMFPUEKD-UHFFFAOYSA-N 414.962 5.302 0 40 HKAB O=C(Nc1cccc(Br)c1)C1[C@@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 4380153 YLNAXLXLRCUAOJ-ARJVPZMDSA-N 403.147 5.244 0 40 HKAB CCCOc1ccc(Nc2nc(-c3cc4cccc(OC)c4oc3=O)cs2)cc1 4661760 XHAUBNBUHAFNGY-UHFFFAOYSA-N 408.479 5.458 0 40 HKAB COc1cc(NC(=O)c2ccc(C)cc2Cl)ccc1NC(=O)c1cccs1 5015864 UFJOMOZDSLOCDD-UHFFFAOYSA-N 400.887 5.223 0 40 HKAB CCC(=O)c1c(-c2ccc(C)cc2)c2c3n(c(-c4ccc(OC)cc4)cn13)CCCC2 5157542 GENACSMTTQYCBF-UHFFFAOYSA-N 412.533 6.321 0 40 HKAB CC(=O)CCSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 5230906 RQNDKKLNRZPUFG-UHFFFAOYSA-N 406.338 5.371 0 40 HKAB COc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 5446986 LSHBTJZKPQCAOU-UHFFFAOYSA-N 400.528 6.504 0 40 HKAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1c2c(nc3ccccc13)CCCCC2 5938145 UYORHEZNFVVCHE-UHFFFAOYSA-N 417.549 5.446 0 40 HKAB Clc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccncc2)cc1 6029716 QPZXGKJJDQDPTI-UHFFFAOYSA-N 408.914 5.154 0 40 HKAB Cc1cccc(NC(=O)NC[C@H]2C[C@@H](NC(=O)Nc3cccc(C)c3C)C2(C)C)c1C 6217543 IOHOOSISEDKQAW-DENIHFKCSA-N 422.573 5.278 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 6257781 UVXRGGSWPKHZRS-BJMVGYQFSA-N 410.260 5.849 0 40 HKAB CCOc1ccc(Oc2ccccc2NC(=O)c2ccccc2Br)cc1 6560773 CBJDLZXJKLUKFI-UHFFFAOYSA-N 412.283 5.892 0 40 HKAB C[C@H]1CCc2c(sc3nc(-c4ccc(OCC(=O)O)cc4)cc(-c4ccco4)c23)C1 7148372 RPFQLOUNJFIBEA-AWEZNQCLSA-N 419.502 5.812 0 40 HKAB Fc1ccccc1COc1ccc(Br)cc1CNC1CCCCCCC1 7523354 OELMOHDBAPMKCX-UHFFFAOYSA-N 420.366 6.370 0 40 HKAB CCOc1ccccc1OCC(=O)Nc1ccc(Sc2nc3ccccc3[nH]2)cc1 8389865 LQRBEYKMIJTCPV-UHFFFAOYSA-N 419.506 5.130 0 40 HKAB Clc1ccc(COc2ccc(Cl)cc2CNCc2ccncc2)c(Cl)c1 8418061 QKWSRUUFVYHBJD-UHFFFAOYSA-N 407.728 5.911 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccc2c(c1)OCO2 9175791 JAQPIIVVWOBQOU-UHFFFAOYSA-N 414.244 5.205 0 40 HKAB O=C1Nc2ccccc2/C1=C\c1cc(Br)ccc1OCc1cccc(F)c1 9296327 SBCRLEMCIOQBPN-XDHOZWIPSA-N 424.269 5.660 0 40 HKAB O=C(Cc1csc(-c2ccccc2)n1)N[C@H](c1ccc(F)cc1)c1cccs1 10288817 SZQOBFOCAUGOCG-OAQYLSRUSA-N 408.523 5.459 0 40 HKAB Cc1ccc2nc(-c3ccc(CNC(=O)C4(c5ccccc5)CCCC4)cc3)oc2c1 10372820 FULQDCRVIJBDFR-UHFFFAOYSA-N 410.517 5.931 0 40 HKAB COc1cccc2cc(/C=C/C(=O)OCC(=O)Nc3c(C)cccc3C(C)C)oc12 11578929 LTBWJEHBUNEZPR-VAWYXSNFSA-N 407.466 5.068 0 40 HKAB Cc1ccc(C)c2nc3sc(C(=O)Nc4cc(Cl)ccc4Cl)c(N)c3cc12 12492167 LXRHXGWVUJLJEL-UHFFFAOYSA-N 416.333 6.208 0 40 HKAB FC(F)Oc1ccc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc1 12551579 QVKPEGJQGUTDMY-DTQAZKPQSA-N 419.456 6.363 0 40 HKAB O=C(NCc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2ccc3ccccc3c2)s1 13004593 SWKYROSMAGOXIP-UNOMPAQXSA-N 423.900 5.497 0 40 HKAB CCOc1ccc/c(=N\c2ccccc2N)c2c(C)n(-c3cccc(OC)c3)c(C)c12 13800145 YDCBUJNVTFIYRA-WEMUOSSPSA-N 413.521 5.469 0 40 HKAB Cc1ccc(-c2c([C@H]3c4ccccc4C(=O)N3CCC(C)C)c3ccccc3n2C)cc1 13942412 XIGRIJQPDHQWEU-MUUNZHRXSA-N 422.572 6.745 0 40 HKAB COc1cc(Br)c(CN[C@@H](C)c2ccc(Cl)cc2Cl)cc1OC 22776821 ACQNLTQHCUIYOO-JTQLQIEISA-N 419.146 5.624 0 40 HKAB CCOc1ccc(-c2cc3c(SCc4cccc(F)c4)nccn3n2)cc1Cl 23126604 HGLCLQKAVLFERS-UHFFFAOYSA-N 413.905 5.880 0 40 HKAB COc1ccc(Nc2nn(CN3CCC[C@@H]3c3cccs3)c(=S)s2)cc1 24083217 BISZXNGEDYAHSP-OAHLLOKOSA-N 404.586 5.282 0 40 HKAB COc1ccc(Nc2cc(-c3nc4ccccc4s3)c3ccccc3n2)cc1OC 24985175 BUMSEAOZMOJIEG-UHFFFAOYSA-N 413.502 6.272 0 40 HKAB COc1cc(CNCCc2ccccn2)ccc1OCc1ccc(Cl)cc1Cl 25259888 VZYMBWRXLHQFEK-UHFFFAOYSA-N 417.336 5.308 0 40 HKAB COc1ccccc1[C@H]1CC(O)=Nc2sc(C(=O)Nc3cccc(C)c3)c(C)c21 32093249 LNECLSLAIJLZDF-QGZVFWFLSA-N 406.507 5.749 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(O)=Nc2cc(-c3ccc(F)cc3)nn21 32105735 GELXXCNBBWVIBY-OAHLLOKOSA-N 419.243 5.168 0 40 HKAB O=C(CSc1ccc2ccccc2c1)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21 33586958 JMIYQJXXZKKCMH-UNMCSNQZSA-N 401.556 5.934 0 40 HKAB COc1c(Br)cc(CNc2ccccc2Cl)cc1Br 37210777 GZGUMQLYHGMPMS-UHFFFAOYSA-N 405.517 5.486 0 40 HKAB O=C(N1CCC(Cn2ccnc2-c2ccccc2)CC1)C1(c2cccs2)CCCC1 62130131 VGDWBYKMLBJKEP-UHFFFAOYSA-N 419.594 5.362 0 40 HKAB COc1ccc(-n2c(SCc3ccc(C)c(C)c3)nc3ccccc3c2=O)cc1 67258857 MQQRCRKWIYUZCS-UHFFFAOYSA-N 402.519 5.303 0 40 HKAB CC(C)n1c(CNC(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)nc2ccccc21 78821401 LXUNTYVXWIGNQC-HNNXBMFYSA-N 403.448 5.446 0 40 HKAB OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nn3[C@H]2c2cccnc2)CCC1 102584352 ODJFPHYURBWFPK-IBGZPJMESA-N 423.929 5.290 0 40 HKAB Cc1ccc(NCc2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1C 107029382 RFZWEXJQEIRCOV-UHFFFAOYSA-N 401.937 7.301 0 40 HKAB Cc1ccc2nc(C)cc(OCC(=O)Nc3cccc(CN4CCCC[C@@H]4C)c3)c2c1 141564732 VDTOXDJPICRRFB-FQEVSTJZSA-N 417.553 5.244 0 40 HKAB O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1Cc1ccc(Br)cc1 214945172 LKGWXUZNHXFBDI-OQLLNIDSSA-N 408.704 5.339 0 40 HKAB C[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)OCCO2 222655584 IVPPEMKLWKISOS-KRWDZBQOSA-N 405.519 5.241 0 40 HKAB C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCCC2 222975168 BUUFFPMOHHYGPG-GOSISDBHSA-N 410.989 5.308 0 40 HKAB CCc1ccc([C@@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 224124713 BCLXRSFEPIEQOC-MRXNPFEDSA-N 419.396 5.645 0 40 HKAB CCN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224622690 QIJUCQSMQQZPOS-UHFFFAOYSA-N 408.734 5.179 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccc1CN1CCCCC1 224837410 BOECGUMJRMVDKG-AREMUKBSSA-N 416.565 5.300 0 40 HKAB CCOc1ccc(NC(=O)CCc2ncc(-c3cccc(Br)c3)o2)cc1 224887002 HBZJEHJMNQPUOS-UHFFFAOYSA-N 415.287 5.074 0 40 HKAB CC(C)CCNC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224946285 XSNZKUKFGDCASN-UHFFFAOYSA-N 413.315 5.547 0 40 HKAB Cc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)c(Cl)c1 225003517 AFMGHJWSDAEJBC-UHFFFAOYSA-N 402.346 6.846 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 225342310 PWINENGFBJQKKX-HXUWFJFHSA-N 418.364 6.269 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)Cc2cccc(Br)c2)c2ccccc2O1 225611604 SWHNXOZLVQEATI-GOSISDBHSA-N 402.332 5.190 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)c1snnc1-c1ccc(Cl)cc1 225771785 HYUFDILQRXPLCB-UHFFFAOYSA-N 423.950 6.262 0 40 HKAB CCOC(=O)c1cc(NC(=S)NC2(c3ccccc3C)CCCC2)ccc1Cl 225866078 ILVCZBCQXVXEDL-UHFFFAOYSA-N 416.974 5.581 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@]4(O)[C@H](O)CCC[C@]4(C)[C@@H]3CC[C@]12C 257350417 XHJMYRAEGCTDKQ-PXADIBECSA-N 404.679 6.584 0 40 HKAB COc1cc(C)c(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1OC 408549198 QQWWPCLZERDEOC-NVMNQCDNSA-N 421.877 5.041 0 40 HKAB O=C(COC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(Cl)cc1 408586186 LTNOSHJQXUGHRI-UHFFFAOYSA-N 415.272 5.612 0 40 HKAB O=C(Oc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1)c1ccc(F)cc1 408724498 FDHOERVVUSGOTL-ZHZULCJRSA-N 419.433 5.286 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 408972718 VLCXSZBKXIFNHS-UHFFFAOYSA-N 405.133 7.076 0 40 HKAB O=C(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1cccnc1 408978130 YGYCEAJZXAROKM-UHFFFAOYSA-N 402.457 5.611 0 40 HKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)c(C)c1 409178878 OIGNRVPHTVCWNW-UDWIEESQSA-N 408.523 5.102 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)/C=C\c5ccccc5)CC[C@@]43C)[C@H]1CCC2=O 1889180420 BHWKXKHBCVBVDP-DGRYYVSASA-N 418.577 6.144 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(SC)cc4)sc3n2)c1 661333 XNTSHJJFZQMKPO-UHFFFAOYSA-N 421.547 5.528 0 40 HKAB O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc(Cl)cc1Cl 802279 ZOGNCHWMKRFXGC-UHFFFAOYSA-N 401.224 6.193 0 40 HKAB Cc1c(NC(=O)c2ccccc2Br)cccc1-c1nc2ncccc2o1 805582 PPFUKBNTVBTKGC-UHFFFAOYSA-N 408.255 5.213 0 40 HKAB COc1ccc(C(=O)N2c3cc(C)ccc3-c3c(ssc3=S)C2(C)C)cc1 828387 ANBVRUUYJUPGQS-UHFFFAOYSA-N 413.589 6.419 0 40 HKAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cccc2ccccc12 837084 FUEMMHBCHUEWAO-CVQXOBEKSA-N 401.465 5.236 0 40 HKAB C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 840474 PGSQIZMQCWKPQP-RABUFTMVSA-N 407.435 6.187 0 40 HKAB Cc1ccc2oc(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)nc2c1 865342 PHXANQRUGOEFDM-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB Cc1ccc2cc(CN(Cc3ccccc3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 883228 VIBGBDQNJGYTKN-UHFFFAOYSA-N 413.546 5.236 0 40 HKAB COc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc4c(c3)NC(=O)CO4)n2)cc1 1061288 UKBFESOMJNBMGZ-UHFFFAOYSA-N 408.457 5.422 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(COc2ccc3c(c2)CCC3)o1 1083383 KUYYOVMLSAJDDY-UHFFFAOYSA-N 402.277 5.906 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCC3)cc2c1 1224156 VVMPSSFPAJWZFC-SFHVURJKSA-N 419.594 5.217 0 40 HKAB CCOC(=O)c1sc(NC(=O)c2cc(Cl)cc(Cl)c2)nc1-c1ccccc1 1509266 FYMBDNIOCTYOPW-UHFFFAOYSA-N 421.305 5.546 0 40 HKAB Cc1ccc(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)c(C)c1 1839270 JWUWXVGUAKFCHQ-UHFFFAOYSA-N 422.248 7.288 0 40 HKAB Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2cccc(C(F)(F)F)c2)c1 2068724 PJCSTJNURSHXSN-JOCHJYFZSA-N 409.451 6.267 0 40 HKAB CCCc1nc2sc3c(N(CCC)CCC)ncnc3c2c2c1COC(C)(C)C2 2260796 AEEXYAPZZLYXCO-UHFFFAOYSA-N 412.603 5.670 0 40 HKAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(OCc2ccccc2Cl)cc1 2291094 CCEDEJGWMUIYGP-BKUYFWCQSA-N 407.828 5.403 0 40 HKAB COc1ccc(-c2nnc(S[C@@H]3CCCCC3=O)n2-c2ccc(Cl)cc2)cc1 2624305 VEIZVNPICHABQR-LJQANCHMSA-N 413.930 5.200 0 40 HKAB Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 2745107 GIHMYZOVHLNNBL-UHFFFAOYSA-N 424.522 5.408 0 40 HKAB CC(C)N(C(=S)Oc1ccc(C(=O)Nc2cccc3ccccc23)cc1)C(C)C 3088933 CTZTUGHUUZIKIH-UHFFFAOYSA-N 406.551 5.875 0 40 HKAB Cc1ccc(Nc2nnc(SCC(=O)N(Cc3ccccc3)C(C)C)s2)cc1 3469811 PFYQQNLSWFBYLY-UHFFFAOYSA-N 412.584 5.119 0 40 HKAB Cc1ccc(N2N=C(c3ccccc3)N(c3ccc(C)cc3)N=C2c2ccccc2)cc1 4154747 SJWSVZIWNDCJHQ-UHFFFAOYSA-N 416.528 6.354 0 40 HKAB O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 4195744 IZNIPJRJLRABGX-IZZDOVSWSA-N 409.272 6.454 0 40 HKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 4318144 NUZYBGYRLCAZCB-LQBOVUBWSA-N 421.537 5.220 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2OC32CCC(C)CC2)cc1 4715957 XWRSJLGKZSEOKJ-ADUWNVSDSA-N 406.526 5.544 0 40 HKAB C[C@H]1CCC[C@H](C)N1C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 4859477 NYSJESQNLHOFRH-MPGHIAIKSA-N 405.369 5.725 0 40 HKAB Cc1ccc2nc(-c3ccc(-c4ccc(Br)cc4)o3)cc(C(=O)O)c2c1 5234068 ANILNBGUZBIZCM-UHFFFAOYSA-N 408.251 5.931 0 40 HKAB Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)c1 5235920 UFXSKWVXSGGRQK-HSZRJFAPSA-N 423.560 5.839 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccc(C)cc3)sc3ccccc3c2=O)cc1 5307193 NIXAJRLNNSNODB-UHFFFAOYSA-N 401.487 5.498 0 40 HKAB Clc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2c2cccs2)cc1 5395050 PZQWCDYHFMJNEY-XMMPIXPASA-N 415.949 6.789 0 40 HKAB COc1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)cc1Cl 5481484 JUTRSZWQEFVFCB-SGTLLEGYSA-N 404.963 5.415 0 40 HKAB COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2)cc1 5636634 FJGXMSOTVYJSQC-UHFFFAOYSA-N 414.383 5.219 0 40 HKAB COc1ccc(-c2c(C)nn3c(-c4ccc(C)cc4)cc(-c4ccc(C)cc4)nc23)cc1 6477745 PHCAJVXFIWTLNM-UHFFFAOYSA-N 419.528 6.664 0 40 HKAB CCOc1ccccc1OCCCC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 6618676 LDYYWZDOFQRRAA-UHFFFAOYSA-N 418.465 5.285 0 40 HKAB Cc1ccsc1Cn1nccc1NC(=O)c1cccnc1Sc1ccccc1 6881987 APXIKEABGSZAKN-UHFFFAOYSA-N 406.536 5.100 0 40 HKAB COc1ccc(C2=Nc3c(ccc4ccccc34)C(c3ccc(Cl)cc3)=NN2)cc1 6973415 AKYQHQMULVAWGE-UHFFFAOYSA-N 411.892 5.936 0 40 HKAB CCOc1ccc(-c2nnc(SCc3cc(C)on3)n2-c2ccccc2F)cc1 7371998 ITCVZGFZVATMDN-UHFFFAOYSA-N 410.474 5.061 0 40 HKAB Brc1ccc(OCc2ccccc2)c(CNC2CCCCCCC2)c1 7523326 PBQFBLBEIPNSPC-UHFFFAOYSA-N 402.376 6.231 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)nc2c1 8198231 DVKRTTMSDPSBRW-HNNXBMFYSA-N 404.897 6.914 0 40 HKAB COc1cccc(CNCCc2c[nH]c3ccccc23)c1OCc1ccccc1Cl 8495585 PWNODHIRQDHAIO-UHFFFAOYSA-N 420.940 5.741 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccc(C)cc1 8590848 WLHZYNQSEBENKF-UHFFFAOYSA-N 404.491 5.298 0 40 HKAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCC3CCCC3)ccc21 8959239 QKESCVUCTBELSS-UHFFFAOYSA-N 400.563 5.393 0 40 HKAB CC(=O)N([C@@H](c1ccc(C)cc1)c1ccc(OC(C)C)cc1)[C@@H]1CCOC(C)(C)C1 8991444 IHJAIEPRLUWUBQ-NOZRDPDXSA-N 409.570 5.678 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 9703897 WRTJOXBNIMULKO-UHFFFAOYSA-N 422.000 5.664 0 40 HKAB Cc1cccc(-c2nnc([C@H](C)Sc3nnc(-c4ccccc4F)n3C3CC3)o2)c1 9778869 NKYOSGMBYFSPQR-AWEZNQCLSA-N 421.501 5.631 0 40 HKAB O=C(c1cc(Br)c(Br)s1)N1CCC[C@H]1c1ccccc1 9955693 HKSBJGUZUIKZOH-LBPRGKRZSA-N 415.150 5.250 0 40 HKAB Cc1ccc([C@H]2CC(=O)c3c(C)nc(Nc4cccc(C(F)(F)F)c4)nc3C2)cc1 10156900 ZXJFNYUNRFCIEB-MRXNPFEDSA-N 411.427 5.769 0 40 HKAB Cc1oc(-c2ccccc2)nc1CSc1ncnc2c1cnn2-c1ccc(F)cc1 10890073 YIIHINUJUHZFMP-UHFFFAOYSA-N 417.469 5.210 0 40 HKAB Cc1ccc(C(=O)c2sc3nc(-c4ccc(C)cc4)cc(-c4ccco4)c3c2N)cc1 12250041 UIQVAYMLQDLYLU-UHFFFAOYSA-N 424.525 6.653 0 40 HKAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(CSc2nc3ccccc3[nH]2)cc1 12540700 OXMDZDATKDBCMZ-UHFFFAOYSA-N 413.424 5.525 0 40 HKAB CC(C)N(C(=O)CSc1ccc(F)c(F)c1)c1ccc(Nc2ccccc2)cc1 12553138 MLHDUQIAYYDVPB-UHFFFAOYSA-N 412.505 6.242 0 40 HKAB CCOC(=O)c1sc2nc(C)nc(N(C)Cc3cccc(Cl)c3Cl)c2c1C 13038167 PFLZUNUBOQNNSI-UHFFFAOYSA-N 424.353 5.428 0 40 HKAB COc1ccc(C2=N/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C(=O)O2)cc1 13895985 VUGICZGBZBZRSK-HYARGMPZSA-N 419.864 5.272 0 40 HKAB CC(C)CCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 13942447 JHQIJHJALPMDFX-AREMUKBSSA-N 412.508 6.565 0 40 HKAB O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1cccc(Cl)c1 13946075 DSWQBLZPZJKBBT-UHFFFAOYSA-N 417.679 6.707 0 40 HKAB Cc1ccc(COc2ccc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1 14009788 VXEJAFSALRQDEH-LPYMAVHISA-N 418.880 5.325 0 40 HKAB C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)NC12CC3CC(CC(C3)C1)C2 14237464 MTZPNOUXQNUYMP-JIEKGTPASA-N 407.004 5.515 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1Cl 16312772 BMUZUCQUIHFIQI-UHFFFAOYSA-N 413.329 6.831 0 40 HKAB O[C@@H](CNCc1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1 16477464 JDHFXDOQVCVGMX-QFIPXVFZSA-N 402.321 5.396 0 40 HKAB c1ccc(C2=NO[C@@]3(O2)SC(c2ccccc2)(c2ccccc2)c2ccccc23)cc1 16478082 JLWWHWKRXSSGHU-HHHXNRCGSA-N 421.521 6.244 0 40 HKAB Clc1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1Cl 16756256 ZRFHBNVYLYDTSE-UHFFFAOYSA-N 417.321 5.581 0 40 HKAB CCOC(=O)C(C)(C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757629 WJRUGYGWMDLAOL-UHFFFAOYSA-N 417.534 5.521 0 40 HKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4)cc3n2)c(C)c1 17089623 FSIHEXVQESLLKX-UHFFFAOYSA-N 413.525 5.136 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c(Cl)c1 17092525 GKAMSFCJZRCRMI-UHFFFAOYSA-N 420.925 5.319 0 40 HKAB O=C(CCc1cccs1)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 18824050 QISVYEZVCPUSSU-LJQANCHMSA-N 408.954 5.764 0 40 HKAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 18949768 AUHMOGDAJDUKBT-UHFFFAOYSA-N 414.943 5.331 0 40 HKAB Cc1cc2nc(-c3ccc(NC(N)=S)cc3Cl)oc2c(Br)c1C 20156888 UPQBQAGOHWNQEF-UHFFFAOYSA-N 410.724 5.183 0 40 HKAB Cc1[nH]c2ccccc2c1[C@H](c1cccs1)N1CCN(c2ccccc2F)CC1 20192169 BKGZPUFUYVJRCO-DEOSSOPVSA-N 405.542 5.589 0 40 HKAB CCOc1ccccc1NC(=O)Cc1c(C)nn(-c2ccc(Cl)c(Cl)c2)c1C 31734291 SFUWBWIHMYTIAS-UHFFFAOYSA-N 418.324 5.376 0 40 HKAB CC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1 35040612 COOZYIIOCNQSIF-MHWRWJLKSA-N 418.337 5.058 0 40 HKAB CCn1nc(C)c2c(C(=O)Nc3ccc(-n4ccc5ccccc54)cc3)cc(C)nc21 36615959 GVODVPOWFQOBBY-UHFFFAOYSA-N 409.493 5.264 0 40 HKAB CCc1ccc(-c2cc(C(F)(F)F)c3c(=O)[nH]c(=S)n([C@@H](C)CC)c3n2)cc1 36617088 BZVQPPFSRGDYNV-NSHDSACASA-N 407.461 5.673 0 40 HKAB O=C(/C=C/c1ccccc1)N1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1 38534366 OZCJRYHYTDBVTM-ZHACJKMWSA-N 413.443 5.007 0 40 HKAB Cc1nc(NC(=O)c2sc3cccc(C)c3c2Cl)sc1-c1nccn1C 40050509 CYEZDFNLKDTJLA-UHFFFAOYSA-N 402.932 5.281 0 40 HKAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3sccc3Br)cc2)n1 40132321 BAVAQHVPGCPRIK-UHFFFAOYSA-N 420.357 5.321 0 40 HKAB CCc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 41076891 CJKHOAZAWOWMOQ-UHFFFAOYSA-N 402.519 5.345 0 40 HKAB CCc1cc2c(CSc3nnc(C[C@@H](C)c4ccccc4)o3)cc(=O)oc2cc1O 60385776 AEXNVHUCXQVFQW-CQSZACIVSA-N 422.506 5.083 0 40 HKAB Cc1ccc(-c2nc3c(Br)c(N)c(Br)c(C)c3o2)c(C)c1 73639377 NOYVUGZETIADHS-UHFFFAOYSA-N 410.109 5.527 0 40 HKAB N=c1c2c(ncn1Cc1ccco1)Oc1c(ccc3ccccc13)[C@@H]2c1ccccc1 101105736 LKXYHGQRIWQASP-QFIPXVFZSA-N 405.457 5.443 0 40 HKAB aggregator CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219350657 DEYHHALLKLWABF-GOTSBHOMSA-N 419.521 5.424 0 40 HKAB CC[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc2c(c1)CCCC2 223022199 UCNYCXWJIGEZGT-OAQYLSRUSA-N 422.421 6.373 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1C(C)C 223267169 QRGOQOPZLXRUNJ-JKSUJKDBSA-N 405.991 6.138 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccc(C)c(C)c1 224620239 ZPFZMSDAGLSZJA-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB COc1ccc(Nc2nc(/C=C3/SCCN3C(=O)Cc3ccccc3)cs2)cc1 225251239 BVQCZRZCHBQYSL-KGENOOAVSA-N 423.563 5.012 0 40 HKAB Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3Sc3ccccc3)n2)cc1 225812973 OXBTYYOJWSHARE-UHFFFAOYSA-N 415.518 5.768 0 40 HKAB CCc1cc(Br)cc(C)c1NC(=O)c1sc(-c2cccnc2)nc1C 226094453 CBDOZEUDUQRNDJ-UHFFFAOYSA-N 416.344 5.399 0 40 HKAB Clc1ccc(I)cc1-c1nc2c(ccc3ccccc32)o1 226300335 BPOFGANOLNVHSI-UHFFFAOYSA-N 405.622 5.906 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccc(Sc2ccc(Cl)cc2)cc1 226398515 LAKVKYNDFCWXOZ-HETMTNPWSA-N 407.922 5.049 0 40 HKAB COc1ccc2nc(SCC(=O)N3c4ccccc4Sc4ccccc43)[nH]c2c1 408557230 NYDNXLXCNSQLAX-UHFFFAOYSA-N 419.531 5.493 0 40 HKAB COc1cccc(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 408622194 BHBSHAOADZZVNB-UHFFFAOYSA-N 422.333 5.398 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2cccc(C)c2)cc1 408698619 ORXJTQZNGYJJQN-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2ccc(F)cc2)cc1 408699174 RTJODNHAZFCEIR-UHFFFAOYSA-N 416.456 5.033 0 40 HKAB COc1cc([C@@H]2NC(SC(C)C)=NC(C)=C2C(=O)Nc2ccccc2)ccc1C 408988494 ICQLCBYRDPGOEQ-NRFANRHFSA-N 409.555 5.058 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1ccc(Br)cc1)[C@@H]1Cc3ccccc3[C@H]21 408995932 CBWCMMXMHXYGTQ-NJDAHSKKSA-N 420.306 5.618 0 40 HKAB COc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 409094332 DDPPHURTAJHVFE-UHFFFAOYSA-N 421.953 5.931 0 40 HKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c2ccccc21 409109759 KTGHUUZQEBEHTR-STZFKDTASA-N 421.899 6.355 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(Br)cc1 409120864 WOMKBPDZILWUEL-UHFFFAOYSA-N 405.144 5.628 0 40 HKAB CCc1ccccc1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 409121568 WTBHNHVKFFUSJN-UHFFFAOYSA-N 416.348 6.756 0 40 HKAB CC(C)[C@H](O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 725236927 IOWMKBFJCNLRTC-RJZKYDBNSA-N 402.663 6.360 0 40 HKAB CC(C)Sc1ccc(CC(=O)NC[C@H](O)c2ccc(-c3cccs3)s2)cc1 1775966859 HSNDANUZNNQIMT-KRWDZBQOSA-N 417.621 5.369 0 40 HKAB CCc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)cc1 865614 CKGNAHUNEYQPIZ-MJGOQNOKSA-N 414.431 5.358 0 40 HKAB CCCc1nc2ccc(NC(=O)C(C)(C)C)cc2c(=O)n1Cc1ccc(Cl)cc1 1363182 QWSUCUORRSGNMP-UHFFFAOYSA-N 411.933 5.035 0 40 HKAB CCc1ccc2nc(-c3ccc(-c4ccccc4Br)o3)cc(C(=O)O)c2c1 1790037 LEEAQCBKUWPZJA-UHFFFAOYSA-N 422.278 6.185 0 40 HKAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc(C(F)(F)F)cc1)CO3 2160459 MJSNRIYZZMEMCJ-UHFFFAOYSA-N 423.390 5.835 0 40 HKAB biogenic O=C(N(Cc1ccccc1)Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1 2274265 ILDJZMKVYKGTOE-UHFFFAOYSA-N 407.513 5.152 0 40 HKAB CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)[C@@]31Nc2ccccc2S1 2432501 IJGAUJYKWUYEJA-IZZNHLLZSA-N 412.558 5.892 0 40 HKAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)NC1CCCCCCC1 2634706 CRRCPFAVBHTSLY-UHFFFAOYSA-N 411.596 5.680 0 40 HKAB CC1(C)C[C@](C)(c2ccc(Cl)cc2Cl)c2ccccc2N1C(=O)c1ccccc1 2739732 HCVXQFXLIWZBKL-RUZDIDTESA-N 424.371 7.129 0 40 HKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4C)c3N2)cc1 3012793 WFOLSPRSFQUWTK-RBUKOAKNSA-N 414.431 5.413 0 40 HKAB CCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)c1 3770782 SMNSCQSSLKVGSC-UHFFFAOYSA-N 400.478 6.153 0 40 HKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1C 4033399 NWKXKFJMMKMGJC-HXUWFJFHSA-N 413.496 5.361 0 40 HKAB Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)c1cc2ccccc2oc1=O 4063090 LLBKWWIRHJYINH-UHFFFAOYSA-N 413.458 5.025 0 40 HKAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O 4648654 SKDYNRWICDJIBL-CPNJWEJPSA-N 422.550 5.276 0 40 HKAB CCOc1ccc(-c2cnc(NCc3ccc(C(F)(F)F)cc3)n2CCOC)cc1 4679221 GXSHRJSPNGTOGD-UHFFFAOYSA-N 419.447 5.226 0 40 HKAB Clc1cccc(Cl)c1OCCSc1nnc(-c2cccs2)n1C1CC1 5359478 JYCKXNYVABZQPM-UHFFFAOYSA-N 412.367 5.819 0 40 HKAB CC(C)CCC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5373072 ZJIBAMHOAQWYSE-CNXJXGGASA-N 400.647 6.568 0 40 HKAB COc1cc2c(cc1NC(=S)Nc1ccc(Cl)c(F)c1)oc1ccccc12 5656647 IQDSBMLXXVTYIQ-UHFFFAOYSA-N 400.862 6.196 0 40 HKAB Cc1cc(C)c(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)c(C)c1 5732697 QZHCTAWVNVKGBK-UHFFFAOYSA-N 403.309 5.793 0 40 HKAB CCCN(Cc1ccccc1)C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 5938042 RVXCGMHJXOIHDF-UHFFFAOYSA-N 411.501 5.821 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)NCCSCc3ccccc3)cc2)cc1 6233977 WMAWTHRQQXAETH-UHFFFAOYSA-N 407.604 5.951 0 40 HKAB Cc1ccc(-c2nnc(SCc3cc(=O)[nH]c4ccccc34)n2-c2ccccc2)cc1 6246597 BPDUVGWCLWDUKG-UHFFFAOYSA-N 424.529 5.377 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1 7073033 AQABTKAAZHPUOH-GOSISDBHSA-N 414.505 6.334 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1 7073076 XBDLLHVEYXCMLS-MRXNPFEDSA-N 418.468 6.165 0 40 HKAB CCCCCNCc1cc(Br)c(OCc2ccccc2F)c(OCC)c1 7261233 BWCMKVQVFMJSME-UHFFFAOYSA-N 424.354 5.846 0 40 HKAB CCOc1ccc([C@@H](CNC(=O)C2CCCC2)c2c[nH]c3ccccc23)cc1OC 8156308 ARRPEZSFYSSEJX-HXUWFJFHSA-N 406.526 5.014 0 40 HKAB CC(=O)Nc1ccc(-c2csc(NC(=O)C3(c4cccc(F)c4)CCCC3)n2)cc1 8735774 MXRWNGWBTPKMNF-UHFFFAOYSA-N 423.513 5.358 0 40 HKAB Cc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[C@@H](C)C3)nn1C 9001776 HYLGMWXCKAFMMI-GFCCVEGCSA-N 422.579 5.444 0 40 HKAB CSc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)o4)=NN23)cc1 12194859 AUGWBHHCYWRYCK-KNQAVFIVSA-N 410.926 6.206 0 40 HKAB O=C(/C=C/c1ccccc1OC(F)F)N1CCC[C@H]1c1nc2ccccc2s1 12997230 HLEIHLKUWKUZRN-PCUGXKRQSA-N 400.450 5.275 0 40 HKAB Cc1nc(NC[C@@H](c2ccccc2Cl)N(C)C)c2c3c(sc2n1)CCCC3 13040207 YAURUUNITRHTPA-KRWDZBQOSA-N 400.979 5.247 0 40 HKAB O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 13303728 YPHMEKSGVWTWTE-FHFXGYIMSA-N 406.869 5.963 0 40 HKAB COc1ccc(OC)c([C@H]2CC(c3ccccc3)=NN2C(=S)Nc2ccccc2)c1 13686408 ITMCKEBPHKUZQR-JOCHJYFZSA-N 417.534 5.252 0 40 HKAB Cc1ccc([C@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(Cl)cc2)cc1 15412582 UKJGGQXSPBFIPL-DEOSSOPVSA-N 418.924 5.386 0 40 HKAB Brc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)cc1 16739855 NOBABJIHIKGQQB-GYHWCHFESA-N 421.363 6.260 0 40 HKAB CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CNCc3c[nH]c4ccccc34)CCC[C@]21C 16948571 WAWPYSHDONJSJL-MPFGFTFXSA-N 414.637 7.091 0 40 HKAB COc1cc(CN(C)C(=O)c2sc3ccccc3c2Cl)ccc1OC(F)F 17958092 CGQWZMUTRGJRJT-UHFFFAOYSA-N 411.857 5.437 0 40 HKAB O=C(OC1CCCCC1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 20412130 NMDSPSFBFJTVMG-UHFFFAOYSA-N 413.926 6.297 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 20570859 BFHQRBZJZADZQA-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB CCOc1cc(CN[C@H](C)CC)cc(Br)c1OCc1ccc(C)cc1 20573275 ZNMLYDXPWJUNHG-MRXNPFEDSA-N 406.364 5.623 0 40 HKAB CCCc1n[nH]c(=S)n1NCc1ccccc1OCc1ccc(Cl)cc1Cl 22109718 IISYHIRNUSLEFI-UHFFFAOYSA-N 423.369 5.523 0 40 HKAB Cc1ccc(CSCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 22522785 YCOZZKWPYAMEBJ-UHFFFAOYSA-N 416.590 5.221 0 40 HKAB CCOc1ccc(-c2cc3c(SCC(=O)c4cccc(Cl)c4)nccn3n2)cc1 23126813 HEHFXTKJPQZMPI-UHFFFAOYSA-N 423.925 5.423 0 40 HKAB COc1ccc(-c2c(C)nn3c(Nc4ccc(Cl)cc4)cc(C)nc23)cc1OC 27585386 KRFPJLOHLFQHKZ-UHFFFAOYSA-N 408.889 5.427 0 40 HKAB CC(=O)N(CCC1(Cc2ccc(Cl)cc2)CCCCC1)[C@@H]1CCOC(C)(C)C1 32073891 BSKOLQRQEJUBOJ-JOCHJYFZSA-N 406.010 6.029 0 40 HKAB COc1ccc(-c2csc(-c3cc(NC(=O)CC4CCCCC4)n(C)n3)n2)cc1 35683166 YEWMNSSQTOHIOT-UHFFFAOYSA-N 410.543 5.128 0 40 HKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 39724052 JRYRHOCMZPDNSQ-SNVBAGLBSA-N 410.351 5.631 0 40 HKAB Cn1c([C@@H]2CCCCN2C(=O)c2csc(-c3ccccc3)n2)nc2ccccc21 40156279 MESDTAVISNJKEC-FQEVSTJZSA-N 402.523 5.064 0 40 HKAB Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3cccc(Cl)c3)n2)cc1 46012133 QYQDUDHLEAWIHN-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB O=C(CN[C@H](c1ccccc1)c1cccs1)Nc1ccccc1Oc1ccccc1 57392035 ZQWGNTUGQFXHJZ-RUZDIDTESA-N 414.530 5.858 0 40 HKAB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@@H]3C2=O)c(C)c1 59418680 OZDWSPXPSIHEDB-ZQFKLAOWSA-N 413.904 5.051 0 40 HKAB CC(C)OCCCn1c(SCc2ccc(Cl)cc2)nc2ccccc2c1=O 67259128 YZFLMFBDLOLYBM-UHFFFAOYSA-N 402.947 5.157 0 40 HKAB COc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3cc(Cl)ccc3o2)cc1 68603170 HCZPZSLWKSAFJQ-UHFFFAOYSA-N 401.853 6.010 0 40 HKAB biogenic Fc1ccc(CN2CCCN(c3cc(C(F)(F)F)nc4ccccc34)CC2)cc1 89866629 RSLBCRLELMLXKJ-UHFFFAOYSA-N 403.423 5.105 0 40 HKAB Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C)n2-c2ncccn2)cc1Cl 96037289 UBGCBDKMPOANBM-UHFFFAOYSA-N 415.884 5.126 0 40 HKAB COc1cccc(NC(=O)c2ccc3onc(-c4coc(-c5ccccc5)n4)c3c2)c1 96147760 OSRSJQSFWDHXLH-UHFFFAOYSA-N 411.417 5.411 0 40 HKAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CC[C@H](CNC(=O)CC3CCCCC3)CC2)n1 100743987 DKEVOVNQDVDKHT-OYRHEFFESA-N 424.589 5.417 0 40 HKAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102079912 UZMFPLIUHMHQQC-VKFLQFAXSA-N 421.393 5.904 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2SCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 104747068 JURISSRRETWINP-OZIGNCPNSA-N 422.594 5.280 0 40 HKAB CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 107042926 JIXJSBBLISDVPH-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 216369050 OOWXOHICPODACY-GOSISDBHSA-N 423.603 6.415 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219350331 MLFUIYIYNBCMHG-GOTSBHOMSA-N 419.521 5.424 0 40 HKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 222872238 OJVUBAWASZSPKD-PMACEKPBSA-N 401.934 5.696 0 40 HKAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 222878641 RHLZYZKKEAQWTQ-XMMPIXPASA-N 405.563 6.337 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2cccc(Cl)c2)CC1 222920699 QTVYXIQJMBOCJL-QFIPXVFZSA-N 414.977 5.144 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccccc1C 224375847 DVNCXZRBIHBYMS-UHFFFAOYSA-N 403.478 5.428 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1cc(C)cc(C)c1 224532423 YXGSTUJZICVTQT-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 225338401 VCNSTUCJPKPPIM-UHFFFAOYSA-N 419.937 6.015 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc3c(c2)CCCC3)cc1 225634220 LOLGVTLPMZVWAA-UHFFFAOYSA-N 407.897 6.272 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c(C)c1 225700457 DCGILEZPQOMUFU-HSZRJFAPSA-N 418.562 5.556 0 40 HKAB COc1cccc(-c2noc(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)c1 225824228 VZSHHLFQSGLTKY-UHFFFAOYSA-N 415.449 5.109 0 40 HKAB Cc1cccc(CCC2(NC(=S)Nc3cccc(N4CCCC4=O)c3)CCCC2)c1 225870709 SMTCXESOKWZNFE-UHFFFAOYSA-N 421.610 5.354 0 40 HKAB FC(F)(F)c1ccc(N2CCOCC2)c(NCc2ccc(Cl)cc2Cl)c1 226240756 BZRIXEGOHNVECB-UHFFFAOYSA-N 405.247 5.461 0 40 HKAB CCCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccccc2OC)n(CCCC)n1 257239741 HQPPDHMAGFRWQK-UHFFFAOYSA-N 422.525 5.903 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccc(F)cc2)c1 408699811 WJEDJGFBMFHWCY-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB COc1ccc2c(c1)-c1nc(NC(=O)c3ccccc3-c3ccccc3)sc1CC2 409053300 ODIWMXAMEBEXHO-UHFFFAOYSA-N 412.514 5.837 0 40 HKAB Cc1c(Cl)cccc1NCc1cc(Cl)ccc1OCc1cccc2ccccc12 409118833 UVPIIOMTDFXLFY-UHFFFAOYSA-N 422.355 7.646 0 40 HKAB O=C(NC(=S)Nc1cccc(F)c1)c1ccc(-c2cccc(Cl)c2Cl)o1 678970 VXMDMABDGCUQPL-UHFFFAOYSA-N 409.269 5.519 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCCC2)n1-c1ccccc1 869876 OVECJHGRXSBLNE-UHFFFAOYSA-N 420.582 5.663 0 40 HKAB Cc1csc(-c2coc3c(C)c(OC(=O)c4ccccc4Cl)ccc3c2=O)n1 1463823 ADUAVFMZNZNLDH-UHFFFAOYSA-N 411.866 5.406 0 40 HKAB biogenic O=C(Oc1c(Cl)cc(Cl)c2cccnc12)N(c1ccccc1)c1ccccc1 1792714 YSCPYOSJAWKDMU-UHFFFAOYSA-N 409.272 6.879 0 40 HKAB Cc1cccc(NC(Nc2cccc(C)c2)=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-])c1 1860545 PBADZNPZQVRIDH-UHFFFAOYSA-N 412.704 6.159 0 40 HKAB Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc(F)c(F)c4)c(C)c3cc2c1C 2091731 YSKSITOYOXMCJR-UHFFFAOYSA-N 411.404 5.314 0 40 HKAB biogenic Cn1c2ccccc2c2ccc(/C=C/[C@]34NC(=O)CCN3c3ccccc3C4(C)C)cc21 2127236 OYNKVBUPJLYCAH-NOBNOQAISA-N 421.544 5.359 0 40 HKAB CSc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2403258 HKBCORALGAGZQR-OAQYLSRUSA-N 417.486 5.162 0 40 HKAB CCCC(=O)c1c(-c2ccccc2)c2c3n(c(-c4ccc(OC)cc4)cn13)CCCC2 2410677 BZQBDMYBKPYAOT-UHFFFAOYSA-N 412.533 6.403 0 40 HKAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 2621401 XLDUPQBMBSSMIG-UHFFFAOYSA-N 420.582 5.064 0 40 HKAB FC(F)(F)c1cccc(Sc2cc(C(F)(F)F)nc(-c3ccccn3)n2)c1 3041160 ZJQRRSRTCSZKGI-UHFFFAOYSA-N 401.335 5.727 0 40 HKAB CCc1cccc(CC)c1NC(=S)Nc1ccc2c(c1)c1ccccc1n2CC 3274607 CSAXJMRAKYDFAR-UHFFFAOYSA-N 401.579 6.748 0 40 HKAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(F)cc2)c2ccccc12 3429486 CKKFWJPMIRRTMK-UHFFFAOYSA-N 418.493 5.939 0 40 HKAB O=C1N/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1c1cccc(Cl)c1 3652667 PBKPRWUEANAZEQ-FYJGNVAPSA-N 404.853 5.016 0 40 HKAB Cc1ccc(C)c(Cn2cc(SCC(=O)NC3CCCCC3)c3ccccc32)c1 4059748 BGCJNZNXKAKWTC-UHFFFAOYSA-N 406.595 5.847 0 40 HKAB Cc1ccc(CSc2cn(CCNC(=O)c3ccccc3C)c3ccccc23)cc1 4059802 SBPCOUVKWDFLFT-UHFFFAOYSA-N 414.574 5.980 0 40 HKAB Cc1cc(C)cc(NC(=O)CN2C(=O)C[C@H](c3ccco3)Sc3ccccc32)c1 4162813 FDIRDBLQNAORIJ-OAQYLSRUSA-N 406.507 5.105 0 40 HKAB Cc1ccccc1-c1nsc(SCC(=O)Nc2ccccc2C(F)(F)F)n1 4167468 ZOYLNYBSOHVXIE-UHFFFAOYSA-N 409.458 5.263 0 40 HKAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(OCc2ccccc2)cc1 4513452 MFIOWYYQXDCRMN-UHFFFAOYSA-N 417.505 5.186 0 40 HKAB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@]12C(=O)c1cccc3cccc2c13 4671059 TUYCVRTUFAKYRA-DPZBCOQUSA-N 408.884 6.224 0 40 HKAB COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)c2ccccc2Cl)cc1 4857802 HIGNAMVDOWBURH-QHCPKHFHSA-N 404.897 5.649 0 40 HKAB COc1ccc([C@H]2CC(c3ccccc3)=C[C@](O)(C(C)(C)C)[C@H]2C(=O)C(C)(C)C)cc1 4889318 BLCORHYSCGUWJY-PRVBGKCFSA-N 420.593 6.275 0 40 HKAB CCOc1ccc(N(C)c2ccc(/C=C/C3=[N+](C)c4ccccc4C3(C)C)cc2)cc1 5139899 HNYQMJCSFHEKEQ-UHFFFAOYSA-N 411.569 6.573 0 40 HKAB Fc1ccc(-n2nc(SCc3coc(-c4cccs4)n3)sc2=S)cc1 5156046 IZALGOQNGIZZOE-UHFFFAOYSA-N 407.542 5.811 0 40 HKAB CC(C)C[C@@H](Nc1nc(Cc2ccccc2)nc2sc3c(c12)CCCC3)C(=O)O 5625050 KKNWCDIKZXRZSK-QGZVFWFLSA-N 409.555 5.072 0 40 HKAB CC(=O)Nc1ccc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1 5689609 NEFQXILKFYXGSS-UHFFFAOYSA-N 403.265 5.070 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)C12CC3CC(CC(C3)C1)C2 5890184 CDQSQSKSZWNQKM-UHFFFAOYSA-N 407.366 6.272 0 40 HKAB COc1ccccc1/C=C(/CC(=O)NCc1ccccc1)c1nc2ccccc2s1 5935353 BJVZMAOGDUBYLM-HKWRFOASSA-N 414.530 5.552 0 40 HKAB aggregator O=C(OCc1cccc2ccccc12)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 6082974 IGIPQSYPBXUYMC-LEWJYISDSA-N 401.531 6.467 0 40 HKAB O=C(/C=C/c1ccco1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 6863907 FBACXHMGPAJOMQ-IKDOQBTPSA-N 408.501 6.116 0 40 HKAB CC[C@H](Nc1nc(C(F)(F)F)nc2ccccc12)c1ccc(Br)cc1 8072591 GBJQWPSSQHUYCL-AWEZNQCLSA-N 410.237 5.974 0 40 HKAB O=C(COc1ccc(-c2ccccc2)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 8231758 YZVFTEPCCRZUEY-JOCHJYFZSA-N 414.530 5.706 0 40 HKAB O=C(COc1cccc2ccccc12)NCc1ccc(-c2nc3ccccc3o2)cc1 8382071 OGDIMKWJGJGFFG-UHFFFAOYSA-N 408.457 5.343 0 40 HKAB Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NC2CCCCC2)C1 8636077 JGKWYIAGDVAHKD-FYYLOGMGSA-N 420.601 5.657 0 40 HKAB biogenic,in-vitro CSc1nc(NCCC(C)C)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 8657498 XQSHYOOJBVXLFY-UHFFFAOYSA-N 400.617 6.032 0 40 HKAB O=c1[nH]c(CSc2nc3cc(Cl)ccc3s2)nc2sc3c(c12)CCC3 8848451 HJVOMKWFDAACKV-UHFFFAOYSA-N 405.957 5.029 0 40 HKAB Cc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c1 9076358 APNREALZAIOLLY-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB COc1ccc(C2=NN(C(=O)CSCc3cccc(F)c3)[C@@H](c3ccco3)C2)cc1 9449462 UZGXYITXRZVXFB-OAQYLSRUSA-N 424.497 5.038 0 40 HKAB COc1cccc(-c2nc(-c3ccccc3)c(C(=O)Nc3cccnc3)s2)c1OC 9468855 CBMLHQYXUPBWSJ-UHFFFAOYSA-N 417.490 5.142 0 40 HKAB CCOc1ccc([C@H]2C[C@H](c3ccccc3F)n3c(nc4ccccc43)N2)cc1Cl 9496682 ZTSZAMUADDQYKD-IFMALSPDSA-N 421.903 6.374 0 40 HKAB CC(C)c1ccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 9876816 LHNOSEWMFVKMAB-UHFFFAOYSA-N 408.398 5.636 0 40 HKAB CCOc1ccc(CCNc2nc(-c3cccnc3)nc3ccccc23)cc1OCC 13096802 DYNVSXAGXVLLEQ-UHFFFAOYSA-N 414.509 5.144 0 40 HKAB Cc1ccc(CN(Cc2ccncc2)Cc2cn(CCN(C)C)c3ccccc23)cc1 13989394 VMALAOTTWVEUNA-UHFFFAOYSA-N 412.581 5.109 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N[C@H](C)c1nc2ccccc2n1C(C)C 19718287 ANBQFYVBKARABQ-CQSZACIVSA-N 422.916 5.725 0 40 HKAB COc1cc2sc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)nc2cc1Cl 21595516 XAGFGORAPRFDPL-CSKARUKUSA-N 410.882 5.870 0 40 HKAB Clc1ccc(COc2cccc(CNC3C4CC5CC(C4)CC3C5)c2)c(Cl)c1 22073820 MIBCXUSGDVORLY-UHFFFAOYSA-N 416.392 6.487 0 40 HKAB O=C1N[C@@H](c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)Nc2ccccc21 35618545 CJYFXNUEFFZPLP-KRWDZBQOSA-N 419.790 5.400 0 40 HKAB CCc1cc(C(=O)N2CCCCCC2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 36621622 YSNLKRZIRLLOHU-UHFFFAOYSA-N 406.505 5.016 0 40 HKAB CCc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 41076865 PFGAJGWJDNBRAE-UHFFFAOYSA-N 420.509 5.484 0 40 HKAB Clc1ccc(-c2cnc(SC3CCCC3)n2Cc2ccccc2)cc1Cl 44085463 UOOCCPIPIZPNGQ-UHFFFAOYSA-N 403.378 6.940 0 40 HKAB C=Cc1ccc(CSc2nccn3nc(-c4ccc(Br)cc4)cc23)cc1 45925449 YSWIIADACABMGY-UHFFFAOYSA-N 422.351 6.094 0 40 HKAB Cc1ccc(-c2csc(NC(=O)CCc3nnc(-c4ccccc4)o3)n2)cc1C 48346204 BBZNDBCNULHKQQ-UHFFFAOYSA-N 404.495 5.048 0 40 HKAB FC(F)(F)c1cccc(CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)c1 54363662 VNPPNNLFYMGZSR-UHFFFAOYSA-N 420.403 6.535 0 40 HKAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc(F)cc1C(F)(F)F 78743240 RBMKNJCKSBUFJY-UHFFFAOYSA-N 414.811 5.803 0 40 HKAB Cc1c([C@@H](C)NC(=O)Nc2cccc(C3SCCCS3)c2)oc2ccccc12 84068153 HYJRZIIZKCTWDA-OAHLLOKOSA-N 412.580 6.493 0 40 HKAB Cc1cccc(C)c1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 113958520 ZZABEGZOEKFYAQ-UHFFFAOYSA-N 412.577 6.010 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](C)(O)CC[C@]4(C)[C@H]3CC[C@@]21C 123235257 OSPYNJYSTBNWEX-NOXWQOTRSA-N 402.707 7.859 0 40 HKAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 138403115 UCFXVPYHPXKDTF-UHFFFAOYSA-N 422.550 5.346 0 40 HKAB Cc1cccc2c(C(=O)NCC(C)(C)c3ccccc3F)cc(-c3ccccn3)nc12 141552117 JDIHVESZMSXWFS-UHFFFAOYSA-N 413.496 5.452 0 40 HKAB CCN(Cc1nc(-c2cccs2)no1)C(=O)c1ccccc1OCc1ccccc1 218988833 HVCOKDOEWZATGV-UHFFFAOYSA-N 419.506 5.039 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCSc1ccc(Cl)cc1 222695668 VWHUHDAPPAZVFK-LJQANCHMSA-N 419.974 5.640 0 40 HKAB Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1Cl 222851496 UHEKLYKOWCKPOY-SFTDATJTSA-N 411.958 5.684 0 40 HKAB COc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1C(C)C 223762582 PKBVSYGJHKNJHR-RUZDIDTESA-N 423.578 5.503 0 40 HKAB Fc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224175787 DXWRNCLCMUYORQ-GOTSBHOMSA-N 414.509 5.189 0 40 HKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 224187354 CDNQDTAMACREIV-GOSISDBHSA-N 413.568 5.243 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccccc1C(C)C 224227745 ZFZGNLHWMBUEJK-UHFFFAOYSA-N 403.522 6.267 0 40 HKAB CCOc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3)o2)cc1 224909971 HYAXISNJRBZQNZ-UHFFFAOYSA-N 414.461 5.668 0 40 HKAB CCC1(CC)C[C@H](NC(=O)c2ccc(CN3CCCCCC3)cc2)c2ccccc2O1 224981295 OSQWEGYHQRAHQD-DEOSSOPVSA-N 420.597 5.875 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225164049 NCHVMQDREANADG-HXUWFJFHSA-N 420.534 5.593 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(Br)c(Cl)c1 225328753 MFKACAQHPACMES-UHFFFAOYSA-N 407.522 5.981 0 40 HKAB Fc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)c(F)c1 225364836 PREXTMBKNYTHRO-UHFFFAOYSA-N 407.338 5.491 0 40 HKAB Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)ccc1OCc1ccccc1 225575101 VMTAEBPYGQZHIQ-UHFFFAOYSA-N 419.496 5.400 0 40 HKAB COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)c(C)c1 225608271 YZXDHPHDPSMEFB-UHFFFAOYSA-N 421.877 5.389 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C(=O)OCC 225759906 DIZWPGNLUNASCM-UHFFFAOYSA-N 423.553 5.801 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C(=O)OC 225763613 KQUHALZMDXAIDO-UHFFFAOYSA-N 415.917 5.366 0 40 HKAB Cc1cccc([C@@H](NC(=O)CSCc2ccc(Cl)cc2F)c2ccccc2)c1 225764931 HVWHHGQMRYZKLS-QHCPKHFHSA-N 413.945 5.927 0 40 HKAB O=C(Nc1ccc(F)cc1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 247752934 VLOOOWSDUIJFTK-UHFFFAOYSA-N 410.811 5.118 0 40 HKAB CCCCCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1 408585171 CAYYILQYKFRDCG-UHFFFAOYSA-N 419.521 6.699 0 40 HKAB Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 408624051 WWZMOKQYXCLHHR-UHFFFAOYSA-N 400.434 5.011 0 40 HKAB O=C(Cc1ccc(Cl)cc1)Sc1nnc(-c2ccc(Br)cc2)o1 408691648 KARQOAAHMFFCLT-UHFFFAOYSA-N 409.692 5.014 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccccc2)c(C)c1 408699828 ZOCDMRUMOSFKKQ-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CN(Cc1ccccc1)C(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 408774973 DVJWTUISSLLJLO-UHFFFAOYSA-N 412.577 5.414 0 40 HKAB CCOc1ccc(Cl)cc1/C=C1\S[C](Nc2ccc(Cl)cc2C)NC1=O 408814950 SPSUCZGPGAIZNJ-UHFFFAOYSA-N 408.330 5.464 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1c(Cl)cccc1Cl)[C@@H]1Cc3ccccc3[C@@H]21 408999864 SOBUFXGZDCOXQM-WVBUVRCRSA-N 410.300 6.163 0 40 HKAB COc1cc(CNc2cccc(Cl)c2C)ccc1OCc1ccccc1Cl 409115538 JJZJCUJSEBOWSF-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB O=C(c1cc2cccc(F)c2[nH]1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 2037846300 NNEDINSSEDIUAF-KRWDZBQOSA-N 421.447 5.045 0 40 HKAB Cc1cccc(C)c1N1C(=O)c2ccc(Oc3ccc(Br)cc3)cc2C1=O 992808 GVTGPNJBHGRDFK-UHFFFAOYSA-N 422.278 5.659 0 40 HKAB CC[C@H](C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc3c(c2)OCO3)cc1 1307155 GKHUABMPSKPWAG-UPCLLVRISA-N 400.478 5.700 0 40 HKAB CCOc1ccccc1-n1c(SC)nc2sc3c(c2c1=O)CCc1ccccc1-3 2305761 NANOALQWCFKHFF-UHFFFAOYSA-N 420.559 5.333 0 40 HKAB Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)NCCC3=CCCCC3)s2)cc1C 2637271 SKOGTGWOENPWCE-INIZCTEOSA-N 416.616 5.386 0 40 HKAB O=C(CCSc1ccccc1Cl)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 3294974 ZMMHUMXPZRLHES-UHFFFAOYSA-N 422.933 5.820 0 40 HKAB O=C1S/C(=C\c2c(Cl)cccc2Cl)C(=O)N1Cc1c(F)cccc1Cl 3769471 FTDORVMZNLFNOO-CHHVJCJISA-N 416.688 6.022 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1c(NC(=O)C(F)(F)F)sc2c1CCCCC2 4150893 PXPSPOLRRLTYEG-UHFFFAOYSA-N 416.852 5.424 0 40 HKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(C)c(C)c1 4554786 QJAYQTZWGUPCSV-UHFFFAOYSA-N 414.505 6.496 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CCC(=O)[C@@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 4831129 YSWDCQJTPYALJE-VHFJJKATSA-N 404.635 6.742 0 40 HKAB O=C1C(Nc2ccc(Cl)cc2)=C[C@H](c2cccc(F)c2)N1c1ccc(Cl)cc1 4854544 CHIOJYKYDDJNKL-OAQYLSRUSA-N 413.279 6.216 0 40 HKAB CCCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(-c2ccccc2C)s1 4982404 NUMHQCZOQBANIP-UHFFFAOYSA-N 407.583 6.258 0 40 HKAB CCOc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCO4)=NN21 5177552 ICYIZDDLCQIKNC-NBGIEHNGSA-N 414.461 5.056 0 40 HKAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc(N2CCCCC2)cc1 5261863 PLZMCKQSHSEULG-UHFFFAOYSA-N 411.958 5.635 0 40 HKAB CCOc1cc(OCC)cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 5580102 ZZKVQYACFSFRNG-UHFFFAOYSA-N 401.466 5.280 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(F)cc2)N2CCCC2)c1C 5721686 NXWSVJRTUXXYND-QFIPXVFZSA-N 408.542 5.942 0 40 HKAB CCOC(=O)c1c(CSc2nnc(C)n2C2CCCCC2)nc2ccccc2c1C 5866424 JRQXUFRSVFMHDY-UHFFFAOYSA-N 424.570 5.417 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1F 5898285 ZRPONICEMXJVFP-UHFFFAOYSA-N 403.240 6.008 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3)nc2c1 6440222 UZXMSGCQGHNIJR-GOSISDBHSA-N 420.512 7.414 0 40 HKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 6454422 CXMIOHQZKLGUFM-VIFPVBQESA-N 405.144 5.875 0 40 HKAB Cc1ccc(NC(=O)COc2ccc(/C=C3\Sc4ccccc4C3=O)cc2)cc1 6476780 MYXUGWBSDXJKBQ-HMAPJEAMSA-N 401.487 5.342 0 40 HKAB CN(C(=O)CSc1nc2ccccc2n1CCc1ccccc1)c1ccccc1 6516561 GVZKRUBEWVYQOA-UHFFFAOYSA-N 401.535 5.034 0 40 HKAB CC(=O)c1ccc(N(C(=O)c2ccc(C(C)C)cc2)c2nc3ccccc3s2)cc1 6875609 SUBXMEWFRXYBIC-UHFFFAOYSA-N 414.530 6.601 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)cc1 7071366 KXRWBYIWPZNTEQ-KZKLBEMASA-N 400.931 5.717 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H](N[C@@H](C)c1ccc(Cl)cc1)c1ccccc1 7268213 OARDHLOEWRFYGG-GAJHUEQPSA-N 408.929 5.688 0 40 HKAB O=C(OCCOc1ccccc1Cl)c1ccccc1C(=O)c1ccc(Cl)cc1 7781523 GLLIDCPEQBUVDW-UHFFFAOYSA-N 415.272 5.460 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)[nH]2)cc1Cl 9199576 HRALIBSQDDLTQL-UHFFFAOYSA-N 414.962 5.462 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc(C)c1Cl 10120135 JUNUFSAIWNSNHG-UHFFFAOYSA-N 420.896 5.706 0 40 HKAB CCOC(=O)c1cccc(NC(=O)CSCc2c(Cl)cccc2Cl)c1C 10442269 BUMKRVFCXBVRDV-UHFFFAOYSA-N 412.338 5.350 0 40 HKAB C[C@@]12CC3CC(CC(=O)Nc4ccc(C(=O)c5cccs5)cc4)(C1)C[C@](C)(C3)C2 12402570 WHPZEYUVPOXVOA-FXOOJFCESA-N 407.579 6.304 0 40 HKAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cc(Cl)ccc1Br 12540774 YBNAGAAIQBVRJG-SFHVURJKSA-N 401.691 5.017 0 40 HKAB C[C@H]1CCCCN1C(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 12567328 SMHWDBUXCZSGEF-INIZCTEOSA-N 422.912 5.113 0 40 HKAB COc1cc(CCNC(=O)c2ccccc2-c2cccc(C)c2)ccc1OC(F)F 12814369 CXPGIBWFLHMLLY-UHFFFAOYSA-N 411.448 5.245 0 40 HKAB CCOC(=O)c1ccc2c(c1)nc(SCc1csc(-c3ccccc3)n1)n2CC 13149706 MEDPUOMTIMJDTR-UHFFFAOYSA-N 423.563 5.649 0 40 HKAB COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1cccc(C)c1 13925399 JYZXPFWBOVQICB-HMAPJEAMSA-N 413.473 5.236 0 40 HKAB Cc1ccc(C2=N/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)O2)cc1 13925437 SIQVRGRKSZFIRI-HMAPJEAMSA-N 403.865 5.572 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)N2CCCCC2)o1 15860415 BLZAUXWBOXADJY-LJQANCHMSA-N 414.933 5.561 0 40 HKAB O=C(Sc1nc2ccccc2nc1SC(=O)c1ccccc1)c1ccccc1 16807318 ZJNAHJPSWRFBDC-UHFFFAOYSA-N 402.500 5.495 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(Sc2ccccc2)sc1Cl 19958585 PMXXLHLYUJRDAZ-UHFFFAOYSA-N 402.349 5.434 0 40 HKAB OC(CNCc1cccc(Cl)c1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 20365344 GMCBCRQQVNSGKQ-UHFFFAOYSA-N 406.740 5.673 0 40 HKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20486337 JKFMNZDOUPISGX-QHCPKHFHSA-N 421.924 5.984 0 40 HKAB CCn1cc(C(=O)Nc2ccccc2SC)c(=O)c2cc(C(F)(F)F)ccc21 22236955 ICKWQWGBVLHHPC-UHFFFAOYSA-N 406.429 5.014 0 40 HKAB COc1ccc(-c2cn3nc(CNc4ccc(C)cc4)n4c3c2CCCC4)cc1OC 27526394 GFYOVMKYIXJPAH-UHFFFAOYSA-N 416.525 5.077 0 40 HKAB Cc1ccc2c(C)c(CCC(=O)Nc3ccccc3Oc3ccccc3)c(=O)oc2c1 32836526 XCVOHDFSWUNHGS-UHFFFAOYSA-N 413.473 5.773 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1sc2ccccc2c1Cl 34911490 UFOSCSVVWUEVSX-UHFFFAOYSA-N 411.360 6.645 0 40 HKAB Cc1ccc(-c2cnc(SCc3ccccc3)n2-c2cccc(C(F)(F)F)c2)cc1 44087802 ANGGOXUKKJJYSH-UHFFFAOYSA-N 424.491 7.159 0 40 HKAB CCCOc1ccccc1CCCNC(=O)c1ccc(CN2CCCCCC2)cc1 44851637 SGSWKSCXAVXJSO-UHFFFAOYSA-N 408.586 5.214 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 44937235 DPULBXZNXOCJFP-VWLOTQADSA-N 408.586 5.119 0 40 HKAB C[C@H](N[C@@H](c1ccccc1)c1cccs1)C(=O)Nc1ccc(Br)cc1 57508736 FUKZBLFDOFKNIJ-LIRRHRJNSA-N 415.356 5.217 0 40 HKAB CC(C)[C@H](NC(=O)Nc1cc(C(=O)N2CCCC2)ccc1Cl)c1cccs1 58357143 MUYZAKKZGBTBPJ-SFHVURJKSA-N 405.951 5.156 0 40 HKAB COc1ccc(-c2cnc(CCC(=O)NC(c3ccccc3)c3ccccc3)o2)cc1 63890102 PDNHPHRAGDMCNW-UHFFFAOYSA-N 412.489 5.189 0 40 HKAB Cc1cccc(-c2noc(-c3nn(-c4ccc(Cl)cc4)c(=O)c4ccccc34)n2)c1 64949886 OQYGFGAIJXLNNJ-UHFFFAOYSA-N 414.852 5.065 0 40 HKAB COc1ccc([C@@H](C)Nc2nc3c(-c4ccc(F)cc4)nnn3c3ccccc23)cc1 67261439 SKDXYCXMTLVAOF-OAHLLOKOSA-N 413.456 5.265 0 40 HKAB COC(=O)c1ccc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 82086470 MZRWEYWESNKNPK-UHFFFAOYSA-N 400.503 5.823 0 40 HKAB COc1cc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc(Cl)c1O 96767529 XMHJHVMNZFGRCU-CJAAZZPWSA-N 409.869 5.424 0 40 HKAB CSc1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3Cl)C4)n2)cc1 97077596 PPZUABGIEMYGMK-GOSISDBHSA-N 424.913 5.247 0 40 HKAB CCc1ccc(N2C(=O)N(C(=O)c3cccs3)[C@H]3C[C@@]2(C)Oc2ccccc23)cc1 100033529 WAAGBOUDCZNHGO-YADARESESA-N 418.518 5.633 0 40 HKAB CCN(CC)c1ccc(/N=c2/ssc3c2-c2cc(C)ccc2NC3(C)C)cc1 100735516 IQZFRIASOOYKOQ-ZNTNEXAZSA-N 409.624 6.524 0 40 HKAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccc3ccccc13)c1nc3ccccc3nc12 100753736 UREGOTRMGKUSQO-KAYWLYCHSA-N 407.517 5.751 0 40 HKAB Cc1ccccc1N1C(=O)/C(=C\Nc2cccc(C(F)(F)F)c2)c2ccccc2C1=O 102981910 KSWBGBVUHPYPJC-ZHZULCJRSA-N 422.406 5.654 0 40 HKAB CN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@@H]([C@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@@H]3C1(C)C 118936272 PLKVWYPBRRRIQG-AQWIWLTOSA-N 400.695 5.964 0 40 HKAB c1ccc([C@H]2Cc3ccc4ccccc4c3C2=C2c3ccccc3-c3ccccc32)cc1 169442199 AREPCFBCWXOFPI-GDLZYMKVSA-N 406.528 8.119 0 40 HKAB CC[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(OC)c(C)c1 223161648 UHMZMWVSDVUZSU-GOSISDBHSA-N 422.388 5.267 0 40 HKAB CCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223337890 PLTCYBZIUSLGHV-RUZDIDTESA-N 404.554 5.173 0 40 HKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)c1 224524134 WMFVEWWSEZEHAH-DHIUTWEWSA-N 418.566 5.021 0 40 HKAB Cc1ccc([C@H](NC(=S)Nc2ccc(OC(C)C)cc2)c2ccccc2)c(C)c1 225769084 KDCYFFUQAIVTCG-XMMPIXPASA-N 404.579 6.167 0 40 HKAB CCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 245204794 HHENOUDBWKNPAB-ISKYWQPHSA-N 400.603 6.401 0 40 HKAB Cc1nc(C)c(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)s1 257230884 GEJMEAPKGDRDBG-INIZCTEOSA-N 415.946 5.012 0 40 HKAB CC(C)CC(=O)N[C@@]1(C)C[C@H](c2ccc(Cn3cccn3)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257342132 ZNEVCTPHYDEOPX-QIRQYQBGSA-N 423.601 5.119 0 40 HKAB CCc1ccc(CNC(=S)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 408578614 ZGXGEFIONCELJE-UHFFFAOYSA-N 413.945 6.086 0 40 HKAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1c(Cl)cccc1Cl 408714710 VZGRRDRQVQDRSN-UHFFFAOYSA-N 418.324 5.613 0 40 HKAB COc1ccccc1C(=O)Nc1ncnc2oc(-c3ccco3)c(-c3ccco3)c12 408975558 MZYBHPGVVJAOFZ-UHFFFAOYSA-N 401.378 5.004 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)o2)c1 409169535 RLKIHOHAOOIMBJ-UHFFFAOYSA-N 411.527 5.120 0 40 HKAB CCCc1sc(NC(=O)CC[C@@H](O)c2ccccc2)nc1-c1ccc(Cl)cc1 409196183 NTSRGRVZRGOCLB-GOSISDBHSA-N 414.958 5.868 0 40 HKAB COc1ccccc1-c1cccc(CC2(C(=O)NC3CCN(C)CC3)CCCCC2)c1 643550907 SZEWOYLSGWGTTC-UHFFFAOYSA-N 420.597 5.066 0 40 HKAB Cc1cccc2nc(-c3cccc(NC(=O)c4cccc(Br)c4)c3)cn12 629190 AGYVLGGXXBLBNZ-UHFFFAOYSA-N 406.283 5.325 0 40 HKAB CC(NC(=O)N(Cc1ccccc1)C[C@H]1CC=CCC1)(C(F)(F)F)C(F)(F)F 652530 NMFBGXVIZXQAMV-HNNXBMFYSA-N 408.386 5.438 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2cccc(C(F)(F)F)c2)o1 702461 DUAGERYKQDBJJE-UHFFFAOYSA-N 400.183 6.525 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)cc4)cc3)nc2c1 1413896 WDTZNYFDWCOHEX-INIZCTEOSA-N 400.478 6.269 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc3ccccc3cc2OC)sc2c1CCCC2 1514828 DSQRCCCFRBBABR-UHFFFAOYSA-N 409.507 5.218 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)Cc4ccccc4)c3)nc2c1 1847251 TZZUBWBYJOSNPH-MRXNPFEDSA-N 418.924 6.843 0 40 HKAB Cn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccccc1 2619018 LKJKLOYXURDGTC-FQEVSTJZSA-N 418.497 5.093 0 40 HKAB Cc1ccc(-c2cc(C(=O)NCCc3cccc(Cl)c3)c3ccccc3n2)cc1C 2738495 UBSSUCXYGYGSCS-UHFFFAOYSA-N 414.936 6.145 0 40 HKAB Clc1ccc(-c2nnc3c4ccccc4nc(Oc4ccccc4)n23)cc1Cl 3063679 KLQUQSSEHUWJLH-UHFFFAOYSA-N 407.260 6.044 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(-c2cccs2)nc2ccccc12 3273420 YUCPDMODSHHPHE-UHFFFAOYSA-N 413.546 6.206 0 40 HKAB O=C(OCc1ccc(Cl)s1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3446067 MATKFFWAHCDUOF-UHFFFAOYSA-N 414.313 6.627 0 40 HKAB O=C(c1ccc(Cl)s1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 4273254 ZXYLCOBNSDJVAK-UHFFFAOYSA-N 403.891 5.392 0 40 HKAB O=C(/C=C/c1ccccc1Cl)Nc1nc(-c2cc3ccccc3oc2=O)cs1 4278850 NPMDBCHYFCJPCI-MDZDMXLPSA-N 408.866 5.222 0 40 HKAB COc1ccc([C@H](NC(=O)C(C)(c2ccccc2)c2ccccc2)c2ccccc2)cc1 4602102 OGCLMFYFEZGLDB-HHHXNRCGSA-N 421.540 5.907 0 40 HKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccncc2)cc1 4690026 TXYBUJYWYJCOPK-IFMALSPDSA-N 410.304 5.939 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1Br 4698824 OWXWMGXJZAQKSQ-UHFFFAOYSA-N 401.131 6.306 0 40 HKAB O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCC(Cc2ccccc2)CC1 4744947 KBZQQDJSSIHXRV-HSZRJFAPSA-N 410.989 5.033 0 40 HKAB CC(C)COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)cc1 4906740 WWAFLQPCMSYUTK-UHFFFAOYSA-N 420.896 6.435 0 40 HKAB CCc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(C(C)(C)C)cc4)c3c2c1 4970043 LTOZYGQNGCCBRZ-UHFFFAOYSA-N 419.572 7.409 0 40 HKAB C[C@H](CCCC(C)(C)Cl)CCOC(=O)CCC(=O)Nc1nc2ccccc2s1 5920550 NGEPZKLACWJDJK-OAHLLOKOSA-N 424.994 5.772 0 40 HKAB C[C@H](Sc1ncnc2sccc12)C(=O)NC(c1ccccc1)c1ccccc1 6115519 JUDAJAQMQHWKLT-HNNXBMFYSA-N 405.548 5.078 0 40 HKAB CCOc1cc(CNc2cccc(Cl)c2)ccc1OCc1cccc(Cl)c1 6207401 QSRGHPCBAHPRFX-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nc3cc(C)ccc3[nH]2)c2ccccc2)c1 6292052 ZIZXPQKTDLNOPH-JOCHJYFZSA-N 415.518 5.546 0 40 HKAB Cc1ccccc1NC(=O)COc1ccc(/C=C2/Sc3ccccc3C2=O)cc1 6479492 KEPAEOCHJIHWNZ-HYARGMPZSA-N 401.487 5.342 0 40 HKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc3ccccc3c2)cc1 6630407 YEQBFOYKHKMLJR-UHFFFAOYSA-N 410.473 5.259 0 40 HKAB Cc1c(NC(=O)c2ccc(-c3ccc(F)cc3)o2)cccc1-c1nc2ncccc2o1 6720221 XQZKZORTHFYRBC-UHFFFAOYSA-N 413.408 5.850 0 40 HKAB CCc1ccccc1N[C@H](c1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)o1 6794639 IQYNHDOMYRZHPJ-OAQYLSRUSA-N 407.876 6.293 0 40 HKAB CC(=O)c1ccc(OCCCC(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc1 6837780 MOZWWCKLGPXHQH-UHFFFAOYSA-N 416.449 5.089 0 40 HKAB COc1ccc(CCC(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1OC 6948536 NQKXGQACTWKTAR-UHFFFAOYSA-N 402.903 5.052 0 40 HKAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S1 8277484 AJOUVSQFQJXOHJ-OVCLIPMQSA-N 408.266 5.102 0 40 HKAB Cc1ccc(C(=O)Oc2ccc(C(=O)CSc3nc4ccccc4s3)cc2)cc1 8383397 MSRACDQXJGAKJT-UHFFFAOYSA-N 419.527 5.799 0 40 HKAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(Br)cc1)CCCC3 8870299 SBZDWXMIZWZQLV-UHFFFAOYSA-N 420.328 5.183 0 40 HKAB CCOC(=O)[C@H](Sc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1ccccc1 8879017 XHIAYGCIYKDHKV-GOSISDBHSA-N 422.531 5.048 0 40 HKAB COc1cc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)ccc1OCC(C)C 11072898 CWQHMIVJVUSOJK-UHFFFAOYSA-N 404.510 5.141 0 40 HKAB Brc1ccc(-c2ccc(CNCc3cccnc3)o2)c(Br)c1 12324637 OXFDXIZJYDZQII-UHFFFAOYSA-N 422.120 5.156 0 40 HKAB CCc1sc(-c2nnc(CSc3nc(C4CC4)n(-c4ccccc4)n3)o2)cc1C 12575788 YYZSXZBTNZKSOF-UHFFFAOYSA-N 423.567 5.419 0 40 HKAB CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3oc4c(F)cccc4c3C)n2)cc1 12621950 LGXHOMRPAXLHQL-CYBMUJFWSA-N 408.498 6.770 0 40 HKAB Cc1ccc(-n2nc(C)c(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c2Cl)cc1 12640832 OAJAXYGDLJETFS-UHFFFAOYSA-N 424.935 6.867 0 40 HKAB FC(F)(F)c1cccc(COc2ccc(-c3cc(C4CCNCC4)n[nH]3)cc2)c1 12956740 JBPZBQJMYMDZLB-UHFFFAOYSA-N 401.432 5.142 0 40 HKAB Cc1ccc2cc(CN(C(=O)c3ccccc3Cl)c3ccccc3)c(=O)[nH]c2c1 13661393 LAOIDZDKOQICNZ-UHFFFAOYSA-N 402.881 5.337 0 40 HKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 13709338 TYYYZRNTVHRGSV-KRWDZBQOSA-N 417.892 6.692 0 40 HKAB CCN(CC)C(=O)C(=O)c1cn(CCOc2cc(C)ccc2C(C)C)c2ccccc12 14136060 RGMIZLIPPSNKRJ-UHFFFAOYSA-N 420.553 5.203 0 40 HKAB CN(C(=O)COc1ccc(Cl)cc1)[C@@H](c1cccs1)c1c[nH]c2ccccc12 15835530 QSCSRXQEOUPBGV-JOCHJYFZSA-N 410.926 5.510 0 40 HKAB COc1ccc(OC)c([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)c1 16032481 NGTYIDRNJTUKEY-KNBUBVHZSA-N 407.554 5.085 0 40 HKAB biogenic Cc1c(NC(=O)c2ccc(-c3cccc(F)c3)o2)cccc1-c1nc2ncccc2o1 16250095 RILZRMLMGNJJRE-UHFFFAOYSA-N 413.408 5.850 0 40 HKAB CCC(=O)N1N=C(c2ccccc2)Sc2c1nc(-c1ccc(C)cc1)n2C(=O)CC 16777645 HSWIFSSKSDSULZ-UHFFFAOYSA-N 418.522 5.119 0 40 HKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1nc2ccccc2s1 17090221 DGFFELIEHLYEJM-SOFGYWHQSA-N 415.301 6.515 0 40 HKAB Cc1cc(-c2cnc([C@H]3CCCN(C(=O)C4CCCC4)C3)nc2-c2cccs2)on1 19124064 CNLNRSRRRXUPSR-KRWDZBQOSA-N 422.554 5.065 0 40 HKAB c1ccc2c(c1)-c1ccccc1C2N1CCN(C2c3ccccc3-c3ccccc32)CC1 19365288 PTFVYTNOAJBUJP-UHFFFAOYSA-N 414.552 6.144 0 40 HKAB CCCC(=O)N1CCCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19501398 BKFQDNOACGTDLY-OAQYLSRUSA-N 401.514 5.136 0 40 HKAB Cc1nc2ccc(Cl)cn2c1CN(Cc1ccccc1Cl)C1CCN(C)CC1 19715707 XHPOYPHYLTXSCY-UHFFFAOYSA-N 417.384 5.046 0 40 HKAB CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2Cl)CC1 21596092 JSTWMECLUVJLCB-FMIVXFBMSA-N 420.940 6.488 0 40 HKAB COc1ccc(CCNCc2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1OC 22076552 OQGLAUBUFNNQOG-UHFFFAOYSA-N 406.309 5.603 0 40 HKAB CCOc1ccc(N(Cc2cccs2)C(=O)c2ccccc2Br)cc1 27740177 DWGXHBUZIUSULH-UHFFFAOYSA-N 416.340 5.756 0 40 HKAB C[C@H](c1ccccc1)c1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 32109931 PGZRBRVDKXUPES-GOSISDBHSA-N 414.574 5.731 0 40 HKAB COc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 33689143 PTZGIWWFZSIPCL-UHFFFAOYSA-N 405.837 5.374 0 40 HKAB CN1/C(=C2/C=NN(c3ccccc3)[P@]2(=N)N2CCCC2)C(C)(C)c2ccccc21 34911719 WJQBDVHMRKDKHP-HSIOHMKYSA-N 405.486 5.837 0 40 HKAB Fc1c(F)c(F)c(N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c(F)c1F 58158082 NWWJFJCCEZTVOO-UHFFFAOYSA-N 418.409 5.371 0 40 HKAB O=C(c1ccc2oc(-c3cc(Cl)c(Cl)c(Cl)c3)nc2c1)N1CCCCC1 59842994 GRBAKEMCKVGCJU-UHFFFAOYSA-N 409.700 6.081 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2C)c(C)c1 67297269 FLAJHJSCCUIJFT-FVDSYPCUSA-N 400.453 5.982 0 40 HKAB Cc1ccc(/C=C\c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)o1 71606487 XOPKKHCDIAYUSK-PLNGDYQASA-N 421.926 5.597 0 40 HKAB Cc1[nH]c(-c2ccccc2)c([C@@H](C)SCc2c(Cl)cccc2Cl)c1C(=O)O 71614055 QMCDCGYGGAGEAH-CYBMUJFWSA-N 420.361 6.990 0 40 HKAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC[C@H]1CCN(c2ccccc2)C1 84064627 IDRXVHCHVZQLQS-MRXNPFEDSA-N 411.958 5.028 0 40 HKAB CCc1ccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2CCOC)cc1 96037311 YZXILOYXTUCXKM-UHFFFAOYSA-N 403.526 5.638 0 40 HKAB O=C(NCc1ccc(F)c(F)c1)c1cc(-c2ccnn2C2CCCC2)n2ccccc12 96037926 HIPVCTQOXUUQOY-UHFFFAOYSA-N 420.463 5.126 0 40 HKAB Cc1cc(Oc2ccc(NC(=O)C3[C@H]4CCCC[C@H]34)cc2)cc(C2CCNCC2)n1 100224479 WBNPUCPODDVVIU-VXKWHMMOSA-N 405.542 5.024 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3[C@H]2C(=O)c2c(O)cc(C)c(Cl)c2C)cc1 100684374 INCLPHDOKDATJC-QFIPXVFZSA-N 405.881 5.555 0 40 HKAB Brc1cccc([C@@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)c1 101100948 LMDDGDLLILQVSQ-CTNGQTDRSA-N 404.311 5.945 0 40 HKAB CCCCCCCC[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1 102997246 KTUPIGXZIMYICJ-DHLKQENFSA-N 420.597 6.679 0 40 HKAB Cc1cccc2c(C(=O)N3CCCCCC3)cc(-c3ccc(Br)cc3)nc12 138839154 WXKMDZQUJVYFDR-UHFFFAOYSA-N 423.354 5.989 0 40 HKAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)c1 218873474 UOFJZDSPHUDKSX-MRXNPFEDSA-N 404.348 5.446 0 40 HKAB CSc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 222717511 BJUGYNCUVYGVLT-RGEXLXHISA-N 408.548 5.188 0 40 HKAB Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223089126 BOGOPVSGHBAVES-DNQXCXABSA-N 416.594 5.486 0 40 HKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(OCc2ccccc2Cl)cc1 224277012 GGBROYALYSHRLE-UHFFFAOYSA-N 413.904 6.423 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3nnc(SC(C)C)s3)cc2)cc1 224819184 DKELJJHQLLSIAT-UHFFFAOYSA-N 415.609 5.892 0 40 HKAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)c1 225509895 DZOIBPPYHUHNCY-QFIPXVFZSA-N 404.535 5.166 0 40 HKAB COc1ccccc1[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 225518078 PXOAQIWFOALMJB-HNNXBMFYSA-N 421.368 5.091 0 40 HKAB COc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1Br 226343612 ALOFZKCLMWWQAB-UHFFFAOYSA-N 416.500 5.417 0 40 HKAB COc1cccc(NC(=O)c2sc3nc(C(F)(F)F)c4c(c3c2N)CCCC4)c1 257173457 OAANMJIKOURYAO-UHFFFAOYSA-N 421.444 5.037 0 40 HKAB COc1ccccc1CC(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257271887 NAFJMFJABOEHPV-NRFANRHFSA-N 424.928 5.224 0 40 HKAB COc1cc(C(=S)NCc2ccco2)cc(Cl)c1OCc1ccccc1Cl 408572781 IGEWCMOKPXBCEZ-UHFFFAOYSA-N 422.333 5.639 0 40 HKAB S=C(NCc1ccco1)c1ccc(OCc2ccc(Br)cc2)cc1 408576569 PXCCMJHKJVQSFQ-UHFFFAOYSA-N 402.313 5.086 0 40 HKAB Fc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1Cl 408607996 LKKOPKZVHFYAOR-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB COc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2cc(Cl)ccc2C)n1 408700195 ZJIKSBPUIHXJRN-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc(C)c1Cl 724518 JBGCWECERGYNAD-UHFFFAOYSA-N 407.341 5.618 0 40 HKAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 882288 LZDOXTXPTZGCSX-OAHLLOKOSA-N 407.539 5.104 0 40 HKAB CC(C)COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 1311606 PHUVFTYWNNJSDL-UHFFFAOYSA-N 406.448 5.593 0 40 HKAB C1=C(c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)C[C@H]2CCCC[C@H]2C1 1563599 CPEYWROBUIDLPI-IZZNHLLZSA-N 424.584 7.828 0 40 HKAB Fc1ccc(C(=C(c2ccc(F)cc2)c2ccc(F)cc2)c2ccc(F)cc2)cc1 1720048 LXTWRLICBHFDFV-UHFFFAOYSA-N 404.406 7.250 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1cccc2ccccc12 2029722 TYXOVNZDSIRPKN-UHFFFAOYSA-N 406.510 6.883 0 40 HKAB COC(=O)Cc1c(C)c2ccc(OCc3c(C)c(C)c(C)c(C)c3C)c(C)c2oc1=O 2148638 CXWPSARVMFMNGN-UHFFFAOYSA-N 422.521 5.246 0 40 HKAB biogenic CC(C)(C)c1ccc(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)cc1 2222151 AHLHROCQIGSZDK-UHFFFAOYSA-N 403.338 6.124 0 40 HKAB C[C@H](Sc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)c1ccccc1 2720005 ZURCENBCKOPIFA-ZDUSSCGKSA-N 400.956 5.387 0 40 HKAB CCOc1cc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)ccc1OC(C)C 2752271 DCGGIYFVGSNDFQ-FYJGNVAPSA-N 401.462 5.370 0 40 HKAB CC(C)OC(=O)c1c(NC(=O)C2CCCC2)sc2c1CC[C@H](c1ccccc1)C2 2762816 MLNMCRZKSVSBRE-SFHVURJKSA-N 411.567 5.715 0 40 HKAB COc1cc2c(cc1NC(=O)Cc1ccc(-c3ccccc3)cc1)oc1ccccc12 3200069 BXXVXFSSUFEWLL-UHFFFAOYSA-N 407.469 6.443 0 40 HKAB biogenic CC[C@H](C)c1ccc(NC(=O)COC(=O)c2ccccc2-c2ccc(C)cc2)cc1 3217082 CQEXTROCRFBUHM-IBGZPJMESA-N 401.506 5.971 0 40 HKAB Cc1ccc(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1 3287422 ZEIJAOKRMSQVNM-UHFFFAOYSA-N 409.938 5.919 0 40 HKAB CCSc1nnc(NC(=O)CCN2c3ccccc3Sc3ccccc32)s1 3307302 SHPOQCYZRNBTQC-UHFFFAOYSA-N 414.581 5.282 0 40 HKAB O=C(CSc1nnc(Nc2ccccc2)s1)c1ccc(Br)s1 3412634 UGASWZFRGLOXPO-UHFFFAOYSA-N 412.359 5.081 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2c[nH]c3ccccc23)sc2c1CCC2 3582117 KZYLDBREIZBEII-LBPRGKRZSA-N 414.552 5.014 0 40 HKAB COc1ccc(-c2occ(C(=O)c3ccccc3)c2S(=O)(=O)c2ccccc2)cc1 3849341 SYJLGPIYZAQOCE-UHFFFAOYSA-N 418.470 5.019 0 40 HKAB biogenic CC(C)(C)c1cc(-c2ccccc2)c2c(N)c(C(=O)Nc3ccccc3)sc2n1 4046142 QDIYFOSZWZROSC-UHFFFAOYSA-N 401.535 6.095 0 40 HKAB COc1cc(CNCC[C@@H](CCC(C)C)[C@@H]2CCOC(C)(C)C2)ccc1OC(C)C 4088809 SELYHBJLSFPMJC-DHIUTWEWSA-N 419.650 6.220 0 40 HKAB biogenic CC(C)(C)c1cc(C(=O)CN2C3=NCCCN3c3ccccc32)cc(C(C)(C)C)c1O 4551206 FYVLMSLBXULMRO-UHFFFAOYSA-N 419.569 5.256 0 40 HKAB O=C(Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1cccc2ccccc12 4906758 RKKOJUYGTPUAML-UHFFFAOYSA-N 414.848 6.259 0 40 HKAB CC(C)(C)OC(=O)[C@@H](c1ccccc1)[C@@H](Nc1ccccc1Cl)c1ccccc1 5379725 AHOMQLGDWNVYHX-GOTSBHOMSA-N 407.941 6.619 0 40 HKAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 5666809 OWXRIXNNWKJTDH-MOUTVQLLSA-N 413.904 5.583 0 40 HKAB Cc1ccc([C@H]2CC(c3ccccc3)=Nc3ccccc3N2C(=O)c2ccccc2)cc1 6962412 BMRMOCVMTVCJAO-MUUNZHRXSA-N 416.524 6.908 0 40 HKAB Clc1cccc(Cl)c1Cn1cc(-c2nc3ccccc3s2)c2ccccc21 7098653 UNMWELDDJAJYQA-UHFFFAOYSA-N 409.341 7.273 0 40 HKAB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)s2)cc1 7758568 BOHDARBKLJSELD-UONOGXRCSA-N 416.547 5.087 0 40 HKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)CC(C)C)n(CCCOC(C)C)c1C 9059961 PWBFJGOGTJFBHR-UHFFFAOYSA-N 410.562 5.448 0 40 HKAB COc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)c(Cl)c2)cc1Cl 10386237 VPIVUEMOWCZBAV-UHFFFAOYSA-N 400.269 5.183 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(Cl)cc2)OC3=O)c1 11689831 ZBYSNVPUGZKZSN-JOCHJYFZSA-N 405.881 5.663 0 40 HKAB FC(F)(F)c1ccc(-c2ccccc2-c2nn3c(-c4ccccc4)nnc3s2)cc1 12274143 KGXSAOJSUBXQDX-UHFFFAOYSA-N 422.435 6.206 0 40 HKAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2ccccc2C(F)(F)F)cc1 12767368 BMOQOPILKKINJT-FQEVSTJZSA-N 406.448 5.270 0 40 HKAB CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ncc(-c2ccc(Cl)cc2)o1 12946261 JDBWQNGZMMHGKZ-UHFFFAOYSA-N 423.822 5.084 0 40 HKAB Cn1c(-c2ccccc2)nn(CN2CCc3sccc3[C@H]2c2cccs2)c1=S 14182568 SDASMLZDNQEYFW-IBGZPJMESA-N 424.620 5.346 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 14426094 BYSCFALCGHIYFA-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB Cc1cccn2c(NC(=O)CCc3ncc(-c4ccccc4)o3)c(-c3ccccc3)nc12 14780153 BUGSCBFHHXLQEL-UHFFFAOYSA-N 422.488 5.536 0 40 HKAB COc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)c3ccccc3n2)cc1 16962309 JTQVBDGGOFQSNY-MRXNPFEDSA-N 414.427 5.325 0 40 HKAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 17091342 DGAPYJBKGKUYOR-UHFFFAOYSA-N 418.316 5.050 0 40 HKAB Cc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20418849 DWSFMLYFOOVCCD-HXUWFJFHSA-N 418.884 5.610 0 40 HKAB COc1ccc(NC(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)cc1 23233398 PVDYYYKDMIDOTR-UHFFFAOYSA-N 415.287 5.382 0 40 HKAB Cc1occc1-c1nn(CN2CCc3sccc3[C@H]2c2ccccc2)c(=S)n1C 24766673 NYACZBSUFSBBJG-HXUWFJFHSA-N 422.579 5.186 0 40 HKAB Cc1ccc(NC(=O)[C@]2(Nc3ccc(C)cc3)Sc3cc(C)ccc3NC2=O)cc1 27300055 ALBSHYHWYHWOOW-DEOSSOPVSA-N 417.534 5.103 0 40 HKAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1cc(Cl)ccc1N1CCCCC1 31487274 DINJKMGFRDUUAF-UHFFFAOYSA-N 416.934 5.013 0 40 HKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2ccccc2C(=O)O)c(C(C)C)c1 32601566 RWUMNKWWLINEMN-UHFFFAOYSA-N 403.544 5.556 0 40 HKAB CCCN(C(=O)CSc1nnc(Cc2cccs2)n1C1CC1)C1=CCCCC1 32739693 DXDKBNVVMXEMNQ-UHFFFAOYSA-N 416.616 5.054 0 40 HKAB Cc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccc(Cl)cc4)n3)c2)cc1 33327310 JKCMOFXTHASKKN-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB Fc1cccc(COc2ccc(Br)cc2C(=S)N2CCCCC2)c1 33792558 PFQIVHUNKHFROI-UHFFFAOYSA-N 408.336 5.329 0 40 HKAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 35264083 KYEJEDDPNSMBLE-INIZCTEOSA-N 422.912 6.022 0 40 HKAB CCCCCNCc1cc(Br)ccc1OCC(=O)Nc1ccc(C)cc1 40739976 IVCYKTMWXAGOQB-UHFFFAOYSA-N 419.363 5.055 0 40 HKAB O=[S@]1CC[C@@H](Nc2nc(-c3cccs3)nc3scc(-c4ccccc4)c23)C1 78967906 DFMKRJUPISCLJX-LOKFHWFJSA-N 411.577 5.020 0 40 HKAB O=C(Nc1cccc(N2CCCCCC2)c1)N(Cc1cccnc1)Cc1ccco1 89779477 KYFJNIYVNGNOJP-UHFFFAOYSA-N 404.514 5.289 0 40 HKAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(Cc2ccccc2Cl)CC1 96625860 YHQXMKQSUMBCGO-UHFFFAOYSA-N 412.839 5.089 0 40 HKAB CN(CC(=O)N1CCC[C@@H]1c1cccs1)[C@H](c1ccccc1)c1ccc(F)cc1 105137084 UUSIQWHBTMBJTG-ZJSXRUAMSA-N 408.542 5.272 0 40 HKAB COc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 118916264 YIPJBSXSAMSSSQ-ZGMOIDMBSA-N 410.598 5.453 0 40 HKAB CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 219385148 UPLLJMZPFWPGBS-OAQYLSRUSA-N 405.991 5.749 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccccc1Cl 224134092 LYAYDCZNCYKGCD-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1COc1cccc(C)c1 224386486 FUYJZJOPVYDOML-UHFFFAOYSA-N 419.477 5.012 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C)cc3C)o2)cc1 224917018 POXDULJIUXMJAD-UHFFFAOYSA-N 412.489 6.276 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 225528270 SYXUSBWASAOIST-OAHLLOKOSA-N 406.353 6.621 0 40 HKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)Nc1cccc(OC(C)C)c1 225630858 YNKKIARDQAZFKI-JCMHNJIXSA-N 420.534 5.253 0 40 HKAB CC(C)c1ccc(CCCNC(=S)Nc2ccc(Br)cc2F)cc1 225807034 YAZRHKILMJCCGD-UHFFFAOYSA-N 409.368 5.631 0 40 HKAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 226295496 JWMCNGZAHWTGLW-ISAVSCMOSA-N 412.508 6.375 0 40 HKAB Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Br)o2)cc1N 226766004 LGTMQYHMBWFENL-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB Fc1cccc(Cc2ccc([C@H]3CCCN(Cc4ccnc5ccccc45)C3)nc2)c1 257334809 YHLFNRUQFSGOPK-QHCPKHFHSA-N 411.524 5.739 0 40 HKAB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)[C@H](O)C[C@@]4(C)[C@@H]3CC[C@]12C 257349632 POCIWPZSSSLOPM-VEOUIUIRSA-N 418.706 6.685 0 40 HKAB COc1cc(C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 408551867 GRDPCYGTWZXTIE-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 408628798 AMRWRQJZHIINRQ-FQEVSTJZSA-N 400.522 5.897 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(F)cc2)c1 408693724 CMOANSFFSQTUQT-UHFFFAOYSA-N 404.420 5.082 0 40 HKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 408706059 UITUXVDMXOBRJT-NRFANRHFSA-N 401.550 5.980 0 40 HKAB O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1CCCc1ccccc1 409136712 UQPVEISGYRNYBC-PTGBLXJZSA-N 415.514 6.148 0 40 HKAB CC(C)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl 409236002 RBMRHNMKEXAPMX-VCHYOVAHSA-N 422.333 6.017 0 40 HKAB CC(C)c1ccc([C@@H]2CC(=O)c3c(nc4c(cnn4-c4cccc(F)c4)c3N)C2)cc1 618256216 GAALAUUTIFLCCC-KRWDZBQOSA-N 414.484 5.178 0 40 HKAB CC(C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C(C)C)OC3 986201 DEKZGZOJWCGLPC-MRXNPFEDSA-N 400.569 5.045 0 40 HKAB O=C(c1cccs1)c1cn(-c2ccccc2)nc1C(=O)c1nc2ccccc2s1 1071117 ADQFIXLLJFQORN-UHFFFAOYSA-N 415.499 5.006 0 40 HKAB O=C(Nc1ccccc1N1CCCC1)c1ccc(-c2ccc(Br)cc2)o1 1098928 YYXIEOPKWXDDHN-UHFFFAOYSA-N 411.299 5.562 0 40 HKAB Cc1cccc(COc2ccc3c(=O)c(Oc4ccc5ccccc5c4)coc3c2)c1 1772387 FAQVQLJAOGXSEA-UHFFFAOYSA-N 408.453 6.626 0 40 HKAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1Nc1ccc(Cl)c(Cl)c1 1772967 PMZCIZPZMAPAPB-UHFFFAOYSA-N 409.700 6.424 0 40 HKAB CCc1ccc(-c2csc3ncn(Cc4ccc(C(C)(C)C)cc4)c(=O)c23)cc1 1789844 XXXWCABOYNGHBU-UHFFFAOYSA-N 402.563 6.033 0 40 HKAB Cc1ccc(-c2nnc(SCC(=O)OC3CCCCC3)n2-c2ccccc2)cc1 2073959 VQDIMTIJCGZJAW-UHFFFAOYSA-N 407.539 5.211 0 40 HKAB Cc1c2occ(-c3ccc(-c4ccccc4)cc3)c2cc2c3c(c(=O)oc12)CCCCC3 2150661 BBIPYVNWICMHDK-UHFFFAOYSA-N 420.508 7.451 0 40 HKAB biogenic CCOC(=O)c1cccc(-n2c(-c3ccc(C)cc3)nc3nc4ccccc4nc32)c1 2239073 HKWRZROMKFGXDG-UHFFFAOYSA-N 408.461 5.121 0 40 HKAB Cc1cccc(N2CCN(C(=O)CSc3cc(Cl)ccc3Cl)CC2)c1C 2653933 RHQFCJSBEFXFPF-UHFFFAOYSA-N 409.382 5.051 0 40 HKAB CCc1cccc2c(C(=O)CSc3nnc(-c4ccc(Cl)cc4)n3C)c[nH]c12 2662852 LNMDUBLEIXRYTE-UHFFFAOYSA-N 410.930 5.154 0 40 HKAB Cc1ccc(C(=O)N[C@H](Nc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2)cc1 2678480 NCYZIUFSMGGCOA-NRFANRHFSA-N 412.411 5.065 0 40 HKAB CCSc1nnc(NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc23)s1 2754094 UBKICACFCDSTAN-UHFFFAOYSA-N 422.535 5.126 0 40 HKAB O=C(CNc1ccc(F)cc1)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2887648 MCEQZOQKHWNVCY-UHFFFAOYSA-N 410.301 5.230 0 40 HKAB Cc1c(NC(=O)c2cccc(Br)c2)cccc1-c1nc2cccnc2s1 2972241 VKYIVJLGYIKMIP-UHFFFAOYSA-N 424.323 5.682 0 40 HKAB O=C(/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 3213092 AWUWWHWVAYWXPT-HKOYGPOVSA-N 420.915 5.369 0 40 HKAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1cccc(C(F)(F)F)c1 3288850 BLUHXCDPUNMFOD-UHFFFAOYSA-N 413.421 5.241 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4)ccc21 3525310 LGDNQEAWHIVSPJ-KSZLIROESA-N 404.510 5.122 0 40 HKAB CCCCCCSc1nnc2c(n1)O[C@H](c1ccco1)N(C(C)=O)c1ccccc1-2 3655188 PGMJLYBIVQGXNC-OAQYLSRUSA-N 424.526 5.248 0 40 HKAB CC[C@@]1(C)C[C@@H]([C@@H](CCN(Cc2ccccc2)C(C)=O)c2ccc(OC)cc2)CCO1 4028186 SJNCWJQRIMYGPD-URORMMCBSA-N 423.597 5.813 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc(OCC)c1OCC 4046368 ZLBBZECFCBYANT-UHFFFAOYSA-N 420.509 5.121 0 40 HKAB Brc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1cccnc1)O2 4176567 WBBMGNIMSNVMAM-PZJWPPBQSA-N 406.283 5.086 0 40 HKAB COc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 4514929 JOOAOCVQKRHJGX-FQEVSTJZSA-N 405.498 5.020 0 40 HKAB Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccccc2)cc1 4661046 METDTICNCWBEDZ-UNMCSNQZSA-N 405.295 5.691 0 40 HKAB Cn1c(-c2ccc(Br)cc2)cnc1NCc1cccc(Cl)c1Cl 4678701 JYPRXRVRDKFXOS-UHFFFAOYSA-N 411.130 5.769 0 40 HKAB CCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(Cl)cc1 4816687 PZZZVMJBBJHILK-ROUUACIJSA-N 401.297 5.062 0 40 HKAB CCCCC(=O)Nc1cc2nc(CCCC)n(Cc3ccccc3Cl)c2nc1C 4850386 QXUYJLPLDQANSD-UHFFFAOYSA-N 412.965 5.913 0 40 HKAB COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 4854476 XOHZSIUWIWYRKM-FQEVSTJZSA-N 416.308 5.441 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)cc1 4970944 UFQMDWCVNJVIQK-UHFFFAOYSA-N 404.491 5.180 0 40 HKAB CCCCC(=O)NC(Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F 5645551 AFGACEOVXWHCIB-UHFFFAOYSA-N 411.173 5.533 0 40 HKAB COc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 5960491 DQTUYWQXOPYUTR-UHFFFAOYSA-N 400.434 5.254 0 40 HKAB Cc1ccc(-c2nc(C(=O)NC3CCCCCCC3)cc3c2[nH]c2ccccc23)cc1 6173647 WKOKZAGVTCIJDH-UHFFFAOYSA-N 411.549 6.534 0 40 HKAB biogenic CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc5ccccc5o4)c3)nc2c1 6449739 WJLIYAZLRWDUMB-INIZCTEOSA-N 410.473 7.007 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 6451064 UHQDSXRUFCTFPZ-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB CCCCN(CCCC)CCCNC[C@H]1C(=O)O[C@H]2C[C@@]3(C)CCCC(C)=C3C[C@H]21 6656216 JZPFBQTVTHEIAT-LDLPXMKRSA-N 418.666 5.327 0 40 HKAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 6707266 ZAUSSRDSJXCJHP-INIZCTEOSA-N 402.519 6.393 0 40 HKAB CCc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)cc1 6708979 ZXNJAQOUAVWAPC-UHFFFAOYSA-N 411.288 6.616 0 40 HKAB CC(C)c1ccc(Nc2nnc(S[C@H](C)C(=O)NCc3ccccc3)s2)cc1 6787161 DGUSJJQTLNFQKV-OAHLLOKOSA-N 412.584 5.202 0 40 HKAB O=C(COc1cccc2ccccc12)Nc1ccc2oc(-c3ccccc3F)nc2c1 6886110 HEPQPFOQXMHXCF-UHFFFAOYSA-N 412.420 5.805 0 40 HKAB C[C@@H]1CCc2sc(-c3nnc(SCCCC(=O)c4cccs4)o3)cc2C1 7129305 PXDBQGIHFZGMLF-GFCCVEGCSA-N 404.582 5.740 0 40 HKAB O=C(O)/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Sc1nc2ccccc2o1 7602870 QRYYCCHBHDAUJE-WQRHYEAKSA-N 408.391 5.214 0 40 HKAB Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)cc2c1C 7778156 VIQUYQVGKBKZDH-LBPRGKRZSA-N 405.281 5.276 0 40 HKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 8049500 DLYSFJYSSIXVEU-QFIPXVFZSA-N 411.954 6.428 0 40 HKAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 8232078 NAMLTTIOWYIQPJ-JOCHJYFZSA-N 418.493 5.298 0 40 HKAB Cc1cccc2c(C(=O)Oc3ccccc3)cc(-c3ccc(Br)cc3)nc12 8450143 PMUFQTCVQDSADZ-UHFFFAOYSA-N 418.290 6.192 0 40 HKAB COc1cc(CNCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 8470208 NKECKVWAZNLYLP-UHFFFAOYSA-N 402.321 5.871 0 40 HKAB CCOc1ccc(N2C(=O)c3[nH]nc(-c4cccs4)c3[C@H]2c2cccc(F)c2)cc1 8590756 UAJABHSREIUHFZ-JOCHJYFZSA-N 419.481 5.426 0 40 HKAB aggregator COc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc(C)c2)c1 9216488 UQEPDUMHGZZRJF-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB CCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1CCc1ccc(OC)cc1 9421205 QBZISNOKUMEBBX-UHFFFAOYSA-N 416.525 5.248 0 40 HKAB Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)c(Cl)c1 12781299 YIMIYNZRFKPVJF-UHFFFAOYSA-N 409.530 5.487 0 40 HKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 13684951 VYTBQLXJNGAMBO-LJQANCHMSA-N 400.522 5.252 0 40 HKAB Cc1ccc2c(c1)[C@H](Sc1cccc3cccnc13)C[C@H](C)N2C(=O)c1ccccc1 13940608 VNPKWWHWPUNQTI-UQBPGWFLSA-N 424.569 6.816 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3ccccn3)sc2-c2ccc(OC)cc2)cc1 14586209 IHNFGHLZKYFXBR-UHFFFAOYSA-N 417.490 5.142 0 40 HKAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)N1CCCCCC1 14666375 KSCNFMYZKSHNEO-UHFFFAOYSA-N 408.542 5.018 0 40 HKAB CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCc1ccccc1Cl 15011369 NQDYQJZPXYIAJY-CPNJWEJPSA-N 405.881 5.810 0 40 HKAB COc1ccccc1C(=O)Nc1ccc(Oc2ncnc3sc(C)c(C)c23)cc1 15131438 RYYOOZGEEBDXAN-UHFFFAOYSA-N 405.479 5.361 0 40 HKAB CN1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2Cl)CC1 17083291 XNPKAXOTAPRIRM-UHFFFAOYSA-N 405.929 5.011 0 40 HKAB C[C@H](NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1)c1ccc(Cl)cc1 17959626 QFGGNMCLYQUFBA-INIZCTEOSA-N 405.885 5.058 0 40 HKAB Cc1cccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1C 20050743 QTEIUILQYRTJKO-HNNXBMFYSA-N 412.382 5.427 0 40 HKAB O=C(Nc1ccccc1Br)c1ccc(NC(=O)c2cccs2)cc1 22589836 VQHVMZQFVFZFSR-UHFFFAOYSA-N 401.285 5.015 0 40 HKAB Cc1ccccc1[C@@H](C)NCc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 25057706 GENUMHBKIZYDJY-CQSZACIVSA-N 409.942 5.464 0 40 HKAB O=C(c1ccccc1)C1CCN(C(=O)/C=C/c2ccc3ccc(Cl)cc3n2)CC1 29021344 JIJHVBKFZXRDAR-ZHACJKMWSA-N 404.897 5.023 0 40 HKAB CCCCOc1ccc(NC(=O)c2oc3c(C)cc(C)cc3c2C)c2cccnc12 32624138 KBYXOICAJMNYSN-UHFFFAOYSA-N 402.494 6.337 0 40 HKAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1)c1ccccc1 32876773 VSEDFYRGGQHCJF-FUHWJXTLSA-N 404.539 5.459 0 40 HKAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CN(Cc1ccccc1)C2 35174341 DBGDAZMZHZZUHW-ZHZULCJRSA-N 424.475 5.629 0 40 HKAB CC(=O)OC1=Cc2ccc3c(c2CC1)CC[C@@]1(C)[C@@H]3CC[C@@H]1[C@H](C)CC[C@H](C)C(C)C 36371804 FUUPHHVMOSNLTD-VDPKZKBCSA-N 422.653 7.691 0 40 HKAB COc1cc(OC)c(OC)cc1CNC(=O)Nc1c(C(C)C)cccc1C(C)C 40096326 IRPNBRWELHXTQD-UHFFFAOYSA-N 400.519 5.281 0 40 HKAB CN(C(=O)c1ccccc1C(=O)c1cccs1)[C@H](c1ccccc1)c1ccccn1 40135121 MLCCRYRWUZUXCR-HSZRJFAPSA-N 412.514 5.236 0 40 HKAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(Oc2ccccc2)nc1 40146431 GQPQNJVLZCVHCK-UHFFFAOYSA-N 420.856 5.149 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CN2CCC(C)CC2)cc1 44855425 WEGBNGXACATARR-QHCPKHFHSA-N 406.570 5.259 0 40 HKAB O=C(NCCCc1ccc(F)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 44906515 SCLQPZHOXLZROF-UHFFFAOYSA-N 423.359 5.094 0 40 HKAB Cc1ccccc1C(=O)CSc1ccc(-c2ccc(C3CCCCC3)cc2)nn1 57486344 SQVVMQNCAGRKSQ-UHFFFAOYSA-N 402.563 6.475 0 40 HKAB C[C@H](NC(=O)N(C)Cc1c(F)cccc1Cl)c1ccc(OCC(F)(F)F)cc1 60064407 OLJQVGSLXRROEP-LBPRGKRZSA-N 418.818 5.323 0 40 HKAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)c1c[nH]cc1-c1ccc(Cl)s1 64027191 BBSHZPOWHSJOCC-OAHLLOKOSA-N 402.951 5.156 0 40 HKAB COc1ccc(NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)cc1Cl 71761828 ZZUGJIRGFKFTRN-UHFFFAOYSA-N 401.875 5.003 0 40 HKAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(Cl)cc1Cl 72229871 QAOICOYJWORMTR-IBGZPJMESA-N 406.696 5.981 0 40 HKAB O=C1N=C(Nc2cc(F)c(F)c(F)c2)/C(=C/c2c(Cl)nc3sccn23)S1 72402080 FMVLTIAXLSPTQS-YHYXMXQVSA-N 414.821 5.185 0 40 HKAB Cc1ccccc1OCCCC(=O)N(CC(F)(F)F)[C@@H]1CCCc2cccnc21 95462418 RRTFORKKRASJBK-GOSISDBHSA-N 406.448 5.018 0 40 HKAB CCC(CC)NC(=O)c1ccc2onc(-c3csc(-c4ccc(OC)cc4)n3)c2c1 96154457 CGVCOWZKTZHFBR-UHFFFAOYSA-N 421.522 5.545 0 40 HKAB Cc1noc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2Cc2ccc(C(C)C)cc2)c1C 96315931 NHAKTQIUTYCJTP-QFIPXVFZSA-N 419.573 5.275 0 40 HKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5ccc(Br)cc5)(C4)C2)C3)cc1 100482497 ILJZAEIMSLOFAI-RDNZODCXSA-N 424.382 6.234 0 40 HKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCC 106707125 XHMPLOCQOJEHIZ-STZFKDTASA-N 411.523 5.419 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2cccc(C)c2)cc1 107831564 RAZIOGBJHIYWOE-JOCHJYFZSA-N 420.534 5.342 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 219686168 FNEOXNGXXKYCLA-QRWLVFNGSA-N 420.347 5.129 0 40 HKAB O=C(CCc1cccc2ccccc12)NCCSCc1c(Cl)cccc1Cl 222664646 NZFNBYYEFLLEQO-UHFFFAOYSA-N 418.389 6.129 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccc(Cl)cc1Cl 222716955 NBEKNJYGVLEHTM-UHFFFAOYSA-N 409.165 5.850 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)NCCOc2ccccc2C(C)(C)C)cc(C)c1Cl 223699410 ODQJQSPCTDEHKU-KRWDZBQOSA-N 403.950 5.217 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccccc1C 224380200 RMWBQTZDFYDPFR-SFHVURJKSA-N 407.485 5.603 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccc(C)cc1 224467918 JVTBEFTYJQNRIU-UHFFFAOYSA-N 413.876 6.018 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 225406635 RXSJODZFBFHLRU-CYBMUJFWSA-N 404.963 5.472 0 40 HKAB CCc1cc(Br)cc(C)c1NC(=O)c1cc2cc(OC)ccc2nc1C 226095982 VJXMVYQXAQKARS-UHFFFAOYSA-N 413.315 5.437 0 40 HKAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(Br)c(Cl)c2)cc1OC 408567277 LHBKQOLIUPLXBG-WEVVVXLNSA-N 424.722 5.552 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c(Cl)c1 408621937 MWFOOGOXBUAXGF-UHFFFAOYSA-N 404.853 5.899 0 40 HKAB Cc1ccc(S[C@@](C)(CS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1 409226706 RQJGFBSKNQMMTD-QFIPXVFZSA-N 416.995 6.130 0 40 HKAB Cc1ccc(Sc2ccc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 409231006 ASKMEQXKRFPZOV-LDADJPATSA-N 410.882 5.490 0 40 HKAB CC(C)c1cnc(Nc2cccc(C3CCN(C(=O)C4CCCCC4)CC3)n2)s1 585262561 FIBAERWFHCJGKM-UHFFFAOYSA-N 412.603 5.691 0 40 HKAB COc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)cc1 628438 HXUJIGVGVYJAGZ-UHFFFAOYSA-N 414.486 5.302 0 40 HKAB in-vitro COC(=O)c1ccc(OC)c(CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1 875947 HDVQGIKFNCHIDW-UHFFFAOYSA-N 412.511 5.122 0 40 HKAB Cc1c(OCC(=O)Nc2ccccc2Cl)ccc2c(-c3ccccc3)cc(=O)oc12 950213 JQQRAUBSNAGPSR-UHFFFAOYSA-N 419.864 5.439 0 40 HKAB O=C1C[C@@H](c2cccc(Cl)c2Cl)c2cc(Br)c3ccccc3c2N1 1082712 XKLSFQCRXTZIGG-ZDUSSCGKSA-N 421.121 6.383 0 40 HKAB CCOc1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1 2251788 PDVJKGFHYFKLJN-UHFFFAOYSA-N 422.532 6.332 0 40 HKAB Fc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 2304655 HFQLYRNFPBVFOS-UHFFFAOYSA-N 406.460 7.342 0 40 HKAB COc1ccc(-c2cc(=O)oc3c(C)c(OCc4c(F)cccc4Cl)ccc23)cc1 2322070 FBRWRNQRNYYLRQ-UHFFFAOYSA-N 424.855 6.149 0 40 HKAB Cc1ccc(Nc2nc(CSc3nnc(-c4ccccc4C)n3C)cs2)cc1 2653673 VDWIGFDXDXDOMU-UHFFFAOYSA-N 407.568 5.591 0 40 HKAB CCCCOc1ccc(C(=O)NCCOc2ccccc2Cc2ccccc2)cc1 3162240 MELYHICPSDAQFG-UHFFFAOYSA-N 403.522 5.265 0 40 HKAB CCCCCc1ccc(-c2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2)cc1 3208375 FUENRZPBAMYIIQ-UHFFFAOYSA-N 402.925 7.457 0 40 HKAB O=C(COC(=O)Cc1ccsc1)Nc1ccccc1Sc1ccc(Cl)cc1 3348189 FMOXVKQTDUXAFK-UHFFFAOYSA-N 417.939 5.277 0 40 HKAB C[C@@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(C(=O)c2ccc(F)cc2)n1 4060649 IBYVVARXSXCRIE-MRXNPFEDSA-N 404.416 5.657 0 40 HKAB Cc1ccccc1NC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCCC2 4062546 IQCPMSYRUFXIAE-UHFFFAOYSA-N 421.591 5.997 0 40 HKAB COc1ccccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 4150575 XOEWGIOXIAIDSZ-NVSNEIARSA-N 424.544 6.244 0 40 HKAB CCCC[C@H]1C=C[C@@H](/C=C/CCCCCCCC(=O)OCC)[C@@H](C(=O)OCC)C1 4409260 NLAFICQBKVFFEV-XSDYHUGYSA-N 406.607 6.398 0 40 HKAB Nc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)sc2nc3ccccc3cc12 4929838 HHXOTACYFOLFOP-UHFFFAOYSA-N 411.486 6.076 0 40 HKAB COc1ccc(/C=C/c2ccnc(SCc3c(Cl)cccc3Cl)n2)cc1 5249140 UMOFKNZDGIOMFU-VMPITWQZSA-N 403.334 6.255 0 40 HKAB C=Cc1ccc(COc2cc3oc(=O)c(CCCCCC)c(C)c3cc2Cl)cc1 5548296 YKMFOUARZYIBLC-UHFFFAOYSA-N 410.941 7.100 0 40 HKAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 5579406 FEXLUYUNLUYJRU-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)CC(C)C)ccc3o2)cc1Br 5842794 MURICJWOSCWXJJ-UHFFFAOYSA-N 403.276 5.251 0 40 HKAB C[C@H](Oc1cccc2cccnc12)C(=O)N(CCc1ccccc1)Cc1ccccc1 6586468 GVJXZUZDERSKEZ-NRFANRHFSA-N 410.517 5.274 0 40 HKAB CCCCN(CCCC)CCCNC[C@@H]1C(=O)O[C@H]2C[C@@]3(C)CCCC(C)=C3C[C@H]21 6656220 JZPFBQTVTHEIAT-MTTURAJASA-N 418.666 5.327 0 40 HKAB Cc1ccc(NC(=O)Nc2ccccc2)cc1S(=O)(=O)Nc1ccccc1Cl 6940830 GGKCOINKHFDRMW-UHFFFAOYSA-N 415.902 5.093 0 40 HKAB Cc1ccccc1CN(C)Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1 7487577 XKGUPGUFODICMH-UHFFFAOYSA-N 409.942 5.245 0 40 HKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(N2CCCCC2)cc1 7504684 VIVHXTFFHGRUJA-UHFFFAOYSA-N 402.563 6.222 0 40 HKAB CCOc1cc(CNC2CCCCCCC2)ccc1OCc1ccc(Cl)cc1 7523246 HAXLYGUTNDQEBQ-UHFFFAOYSA-N 401.978 6.520 0 40 HKAB Cc1ccc2cc(CSc3nnc(Cc4csc(C)n4)o3)c(Cl)nc2c1 7737721 BYGDIAHGFAVFLU-UHFFFAOYSA-N 402.932 5.228 0 40 HKAB CN(Cc1ccccc1NCC(=O)Nc1ccc(OC(F)F)cc1)C1CCCCC1 7977095 GKPOIGYCTXXMGV-UHFFFAOYSA-N 417.500 5.103 0 40 HKAB CCOc1cc2c(cc1CNCc1cc(Cl)c(OC(C)C)c(OC)c1)O[C@H](C)C2 7986251 YDFVQSMIHKOMPU-OAHLLOKOSA-N 419.949 5.148 0 40 HKAB COc1cc(C)c(NC(=O)c2oc3ccc(Br)cc3c2C)cc1OC 8395742 QQHZPEOKBATQCB-UHFFFAOYSA-N 404.260 5.082 0 40 HKAB CCC[C@@H](NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C(C)C)c1ccccc1 8573575 IXTWEZISYZSHMX-YLJYHZDGSA-N 423.582 5.116 0 40 HKAB CCOCCSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 8988151 GTNLOOMHADVJQG-UHFFFAOYSA-N 411.914 5.734 0 40 HKAB C[C@H](Oc1ccccc1)c1nnc(SCc2ccc(Br)cc2)n1C 9593330 YQMCSFNBDWZLIK-ZDUSSCGKSA-N 404.333 5.010 0 40 HKAB Cc1cc(C)c2c(NC(=O)c3ccco3)c(C(=O)N(C)c3ccccc3)sc2n1 12446500 BFQFFASVQQPGIP-UHFFFAOYSA-N 405.479 5.035 0 40 HKAB COc1cccc(-c2nc(C(=O)NCc3ccc(Cl)cc3Cl)cs2)c1OC 12945416 UHWNUXUOFDDXSE-UHFFFAOYSA-N 423.321 5.064 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3Cl)c3ccccc3n2)cc1 13955424 IOMQOGCMUDJTAK-UHFFFAOYSA-N 423.299 6.470 0 40 HKAB Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccccc1Cc1ccccc1 14181068 PFSIAOPVYVLVDM-UHFFFAOYSA-N 412.489 5.714 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)n2)cc1 17088691 JYKBQUXEAOLDRL-UHFFFAOYSA-N 410.882 5.984 0 40 HKAB Cc1ccc([C@@H](NC(=O)/C(=C/c2ccccc2)c2ccccc2)c2ccccc2)cc1 20455470 JPVUMGNGOCMMRO-KYERJPCBSA-N 403.525 6.441 0 40 HKAB CCCSc1ccccc1C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 20595756 ZPBOFTBOEPSVSC-UHFFFAOYSA-N 403.960 5.537 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 21894778 SFJDVBSJWPBHRQ-SFHVURJKSA-N 422.868 5.205 0 40 HKAB Nc1c(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)sc2ncccc12 36242376 VKXYHFLHXXQHIM-UHFFFAOYSA-N 407.882 5.015 0 40 HKAB c1ccc(COC[C@@H]2SC[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1 38530114 IISDOLHHPNAZII-KKUQBAQOSA-N 420.574 5.489 0 40 HKAB Cc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40397627 FMEXSMHYIDVGJE-AUSJPIAWSA-N 420.944 5.670 0 40 HKAB Cc1c(C(=O)N(C2CC2)[C@@H](C)c2cccc(C(F)(F)F)c2)[nH]c2c1C(=O)CCC2 65622967 MCEBJABCNJIQOG-ZDUSSCGKSA-N 404.432 5.227 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2F)cc1 67297647 ZZKMNVDHCDXLNA-VYIQYICTSA-N 406.388 5.204 0 40 HKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc3ccccc3c(Cl)c2OC)c1 70461126 QFPLSDAXSGHASW-UHFFFAOYSA-N 417.292 5.756 0 40 HKAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 71844302 XHZNPRUTDUDLFB-DENIHFKCSA-N 424.491 5.737 0 40 HKAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72215046 IPHJXLZYPQZWNJ-OAQYLSRUSA-N 423.557 5.601 0 40 HKAB COc1ccc(-c2csc(CNC(=O)c3cc(SC)ccc3Cl)n2)cc1 72264949 FYKICVKQGGWTKM-UHFFFAOYSA-N 404.944 5.124 0 40 HKAB O=C(c1ccncc1)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72357829 XNCQHPNQVCYSET-OAQYLSRUSA-N 411.427 5.064 0 40 HKAB COc1ccc(CCC(=O)N2CCC[C@H]2c2cccc(Cc3ccc(F)cc3)n2)cc1 72357895 OCNVLCVUXJBCIG-VWLOTQADSA-N 418.512 5.116 0 40 HKAB O=C(CCCc1ccccc1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 72359167 CJBPAGZCOLKEFZ-NRFANRHFSA-N 419.956 5.526 0 40 HKAB COc1ccc(CCN[C@H](c2ccncc2)c2cccc(C(F)(F)F)c2)cc1OC 95466806 UKBFRJBAEDCKJD-JOCHJYFZSA-N 416.443 5.039 0 40 HKAB C[C@@]12C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]1C2(c1ccccc1)c1ccccc1 101199289 GCWGEOBAZDSDOX-OFNKIYASSA-N 421.418 5.201 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2SCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 104747070 JURISSRRETWINP-MDPIYQRISA-N 422.594 5.280 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC 106707778 VGUXHYHYSWRCNR-RDPIHGLISA-N 411.523 5.417 0 40 HKAB C/C=C(\CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118915350 OSELKOCHBMDKEJ-JBXYVDJASA-N 412.702 7.945 0 40 HKAB Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)o1 222850877 DATLIQAAIZEQOZ-LEWJYISDSA-N 411.958 5.684 0 40 HKAB CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 223940353 VJMWMGBGOZMUNI-LJQANCHMSA-N 416.587 5.050 0 40 HKAB CCCCc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)cc1 224595458 GDWSLYMRXIBUCO-QJOMJCCJSA-N 402.494 5.340 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1CSc1ccccc1 224658482 ZHYVGPUWKYVTDK-KRWDZBQOSA-N 409.526 6.008 0 40 HKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 225128064 UXJOPUJHVWHTMO-VWLOTQADSA-N 422.613 5.385 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)CCc2ccc(Cl)cc2)cc1 225310944 HCPHOFCGVXTCFS-UHFFFAOYSA-N 416.304 6.366 0 40 HKAB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(F)c(C)c2)c1 225609474 WDCUVGAHWHMRPS-UHFFFAOYSA-N 421.877 5.389 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225749831 WQTXITUSWDIYKN-BWKNWUBXSA-N 418.622 5.501 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c2cccnc12 225870420 AXDKRKVDZFOJKF-UHFFFAOYSA-N 408.929 6.128 0 40 HKAB Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1cccc(Br)c1 226288000 FKSPMJRTKGBEGU-UHFFFAOYSA-N 421.294 5.170 0 40 HKAB Cc1ccc(Cl)cc1NCc1cc(Br)c(O)c(Br)c1 235759815 FPEJJBQCDJZVNI-UHFFFAOYSA-N 405.517 5.491 0 40 HKAB CSc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3CC(C)(C)CC(=O)[C@@H]32)cc1 253564480 GONTXJAEPHIUGB-AMDXRBSFSA-N 401.575 6.817 0 40 HKAB CCn1cc(CN2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)c(C)n1 257275552 NPWCPBCWXKGPGI-NRFANRHFSA-N 408.977 5.230 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)oc12 408569014 LYITUNPERCVDFY-UHFFFAOYSA-N 401.506 6.162 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2cc(C)ccc2C)c1 408693749 CZDMDRGNVXGAIX-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c(C)c1 408729515 BYVMGMWCGHBMTG-SIQOOTDXSA-N 407.513 5.048 0 40 HKAB CCOc1cc(C)ccc1OCc1nnc(SCc2ccc(Cl)cc2)n1CC 409350643 YPGNEWZARWYOLW-UHFFFAOYSA-N 417.962 5.530 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)c(Cl)c2)n1C 642345 LZKHUDLAYHETBI-UHFFFAOYSA-N 421.353 5.137 0 40 HKAB COc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccc(Cl)cc1Cl 845827 OUUYWEKBLZJVSG-UHFFFAOYSA-N 424.349 5.383 0 40 HKAB Nc1c(C(=O)Nc2c(Cl)cccc2Cl)sc2nc3c(cc12)CCCCC3 968917 YAGOLUMFUULHCP-UHFFFAOYSA-N 406.338 5.707 0 40 HKAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3)C3CCCCC3)cc2c1 1327639 BRAWGZCVURPNMM-UHFFFAOYSA-N 419.525 5.294 0 40 HKAB C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NCc4ccccc4)c23)C1 1377259 ONGRTCGAFZMFNY-CQSZACIVSA-N 423.607 5.102 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1 2137337 UCNXSTKTMIJKGB-UHFFFAOYSA-N 406.873 5.115 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2ccccc2C(F)(F)F)cc1OCC 2170398 VVEIVJUIAYUURR-UHFFFAOYSA-N 401.812 5.799 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CCCCC2 2272573 BIQDHEQJBMNNCR-UHFFFAOYSA-N 422.344 5.209 0 40 HKAB CC[C@H](C)Sc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(F)cc1 2721693 HSBGFSMDBKKLQI-AWEZNQCLSA-N 405.516 5.513 0 40 HKAB Cc1ccc(Cl)c(OCc2ccc(-c3nc4c5c(C)c(C)sc5ncn4n3)o2)c1 2791890 HWHGKPFTNQEWSN-UHFFFAOYSA-N 424.913 5.757 0 40 HKAB Cc1c(Cl)cccc1NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 3377129 PLNRLJPPTSKTLQ-UHFFFAOYSA-N 412.786 6.495 0 40 HKAB COc1cccc(N(C(=O)/C=C/c2ccc(F)cc2)c2nc3ccccc3s2)c1 3412043 XEXUIZQRDZTICJ-SDNWHVSQSA-N 404.466 5.822 0 40 HKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)cc1 4598833 CLGPGJGINXXHJX-VWLOTQADSA-N 404.941 6.867 0 40 HKAB c1ccc(C2=NN(c3ccc(CNC4CCCCC4)cc3)[C@H](c3ccccc3)C2)cc1 4603382 WSWDIMKTFSCXAP-NDEPHWFRSA-N 409.577 6.465 0 40 HKAB C[C@H](NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2)c1ccccc1 4812608 BVWWUJHOFCBHGD-POZUXBRTSA-N 414.431 5.034 0 40 HKAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1 4848011 BBSPYSLELJHIPI-XMMPIXPASA-N 418.562 5.124 0 40 HKAB CCc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)cc1 5235894 KELZAIWCCSBOCN-HXUWFJFHSA-N 413.496 5.307 0 40 HKAB CCCCCn1c([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 5235896 VMFQRDMMQNIMKM-MRXNPFEDSA-N 415.459 5.766 0 40 HKAB CCCCOc1ccc(OC(=O)N2CCN(c3ccc(CCCC)cc3)CC2)cc1 5261223 CRBMMHFRIPFELT-UHFFFAOYSA-N 410.558 5.529 0 40 HKAB Fc1cccc(CN2CCC(c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)CC2)c1 5626230 SQNQGGBTQIUKMR-UHFFFAOYSA-N 403.423 5.614 0 40 HKAB COc1ccc(-c2nc(-c3ccccc3)sc2Sc2ccc(Cl)cc2)cc1 5880180 IFXAFHTUEZHJKB-UHFFFAOYSA-N 409.963 7.290 0 40 HKAB CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C/c1ccccc1F 6781912 AEAPJTRBWFJGCK-OUKQBFOZSA-N 409.482 5.771 0 40 HKAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)N1N=C(Cl)C=CC1=N2 7003141 PDEXBFUKNXQJQC-HXUWFJFHSA-N 408.292 5.391 0 40 HKAB COc1ccc(CNCc2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 7538335 RKSTXGSOLYAVOU-UHFFFAOYSA-N 417.936 6.371 0 40 HKAB Fc1cc(Br)ccc1Oc1ncnc2sc(-c3ccccc3)cc12 7784851 HIGCVENYPOPIEY-UHFFFAOYSA-N 401.260 6.052 0 40 HKAB CCOc1ccc(-c2nnc(SCc3nc(-c4ccc(CC)cc4)no3)o2)cc1 7795946 HYURGIPNHPZVTB-UHFFFAOYSA-N 408.483 5.040 0 40 HKAB C[C@H](NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1cccs1 8895531 CHALYDZSOXYPMH-INIZCTEOSA-N 420.559 6.040 0 40 HKAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2c1 8903606 XLZKFXSGHVSSDN-UHFFFAOYSA-N 409.294 5.421 0 40 HKAB Cc1ccc(Cn2c(C)c(C)c(-c3nc4ccccc4[nH]3)c2NC(=O)c2ccco2)cc1 9421721 GDJGNGIBKKMPEO-UHFFFAOYSA-N 424.504 5.850 0 40 HKAB CCOc1cccc2cc(-c3csc(NC(=O)c4cccc(SCC)c4)n3)oc12 10750623 JNNGHPUZPWZETM-UHFFFAOYSA-N 424.547 6.319 0 40 HKAB Cc1oc2c(C)c3oc(=O)c(CC(=O)NCc4ccccc4Cl)c(C)c3cc2c1C 11867427 RRMLDCYCAJQBHY-UHFFFAOYSA-N 423.896 5.285 0 40 HKAB O=C(NCc1ccccc1)/C(=C/c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 12659941 ZLIXJUWXRAHVBD-LDADJPATSA-N 422.315 5.727 0 40 HKAB CCOc1c(OC)cccc1[C@@H]1CN2C(=O)c3ccccc3[C@H]2c2[nH]c3ccccc3c21 12886542 RGWGCRLKPYTZHF-CPJSRVTESA-N 424.500 5.266 0 40 HKAB biogenic COc1cc(CN(C)C(=O)c2sc(-c3cccs3)nc2C)ccc1OC(F)F 12921597 HPIGJZIDDRKBFI-UHFFFAOYSA-N 424.494 5.062 0 40 HKAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1 13596539 ZCDULTRZUINGOT-UHFFFAOYSA-N 424.544 5.981 0 40 HKAB Fc1ccccc1COc1ccc2ccccc2c1CNC12CC3CC(CC(C3)C1)C2 16525832 LNKKSDCHAVIWND-UHFFFAOYSA-N 415.552 6.616 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1C 17089830 PDVFQRKDBRDNCC-UHFFFAOYSA-N 414.461 5.319 0 40 HKAB CCc1ccc2oc(-c3ccc(NC(=O)COc4cccc5ccccc45)cc3)nc2c1 17093063 TYAVPDKVMSDTKQ-UHFFFAOYSA-N 422.484 6.228 0 40 HKAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)on1 19122435 MLNUOHOKHXXDQX-KRWDZBQOSA-N 417.296 5.033 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c(C)c1CN[C@@H](C)c1nc2ccccc2n1C(C)C 19715478 JCELBTNQLDZRAA-KRWDZBQOSA-N 405.521 5.410 0 40 HKAB COc1cc(NC(=O)CCc2sc(C)nc2-c2cccs2)c(OC)cc1Cl 19819607 LGNYJHYZDQWURI-UHFFFAOYSA-N 422.959 5.422 0 40 HKAB CCOc1ccc(CN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 19889955 CSJVIZUHSRAYOY-UHFFFAOYSA-N 402.538 5.195 0 40 HKAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OC 20460607 HJANCUOCCCORRO-SNVBAGLBSA-N 419.852 5.495 0 40 HKAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)Nc1cccc2ccccc12 20540767 UWIBWBMHHRFKPN-UHFFFAOYSA-N 404.901 5.999 0 40 HKAB Cc1ccc([C@H](c2ccccc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 22454890 ZKKRFYAEWBLTKZ-LJAQVGFWSA-N 423.604 5.816 0 40 HKAB biogenic CC(C)c1ccc([C@H](NC(=O)C[C@@H](C)NC(=O)c2ccccc2)c2cccs2)cc1 22542341 WIHIKVQYFCURDT-KOSHJBKYSA-N 420.578 5.286 0 40 HKAB CCn1c(SCc2nc3cc(Cl)ccc3n2Cc2ccccc2)nnc1C1CC1 25607305 MDOBBJLWQGANHH-UHFFFAOYSA-N 423.973 5.519 0 40 HKAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)cc1OC 26771597 KLLUXTMIHCIHJO-XHEQKNDOSA-N 407.554 5.085 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccc2nsnc2c1 57313209 KLJSLYNDLXVFHS-UHFFFAOYSA-N 424.844 5.544 0 40 HKAB Cc1ccc2c(NC(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)cccc2n1 57315967 RJIAXMONQUBPMC-JLHYYAGUSA-N 423.299 6.762 0 40 HKAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 102310293 ADILOWWLRFRUNW-VWKPWSFCSA-N 423.557 5.469 0 40 HKAB O[C@H](CN[C@H](c1ccc(F)cc1)c1cccs1)CO[C@H]1CCCc2ccccc21 103451683 GPFNJXKIGXNQPX-JCTONOIOSA-N 411.542 5.021 0 40 HKAB Cc1cc(OCC(=O)Nc2ccccc2C(F)(F)F)cc(C)c1Br 218834437 IAPWCMMDQXUTMQ-UHFFFAOYSA-N 402.210 5.102 0 40 HKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3c(OC)ccc4ccc(OC)cc34)N21 222652304 TUBNMWJDQIQYRE-IRBZQWRBSA-N 419.550 5.231 0 40 HKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 222896955 YIZXPYHWFAJADE-RTWAWAEBSA-N 411.958 5.686 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CCc3ccccc3F)c2)cc1 223936992 GVRMXZOVMHLKIA-UHFFFAOYSA-N 403.497 5.926 0 40 HKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(Cl)ccc1OCc1ccccc1 224886474 QEWZWCFVXJQNMQ-UHFFFAOYSA-N 421.802 6.070 0 40 HKAB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)C1(c2ccccc2)CCCC1 225143241 QICUGRCGCQXSCY-UHFFFAOYSA-N 421.993 7.083 0 40 HKAB CCOC(=O)c1cccc(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)c1C 225500154 PFQMXCWCSDRYOM-NRFANRHFSA-N 414.571 5.254 0 40 HKAB CC(C)(C)OCCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cn1 225727629 ANZOIUMUIJGLAR-UHFFFAOYSA-N 416.827 5.200 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1C(F)(F)F 225955172 QUGZWNFEJTWSHU-UHFFFAOYSA-N 407.432 5.180 0 40 HKAB CC(C)n1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@@H]56)[C@H]43)cc21 257198786 IFQVDHKHKVDYQC-UHCVVMIDSA-N 417.597 5.257 0 40 HKAB O=C(Nc1ccc(Br)c(Cl)c1)c1ccccc1OCc1ccccc1 381438393 KIFKPJCYFGVMNS-UHFFFAOYSA-N 416.702 5.934 0 40 HKAB COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c(C)c1 408801832 CDILKEJTTJTOPI-QHJSVCQMSA-N 421.586 6.058 0 40 HKAB CCCOC(=O)c1cc(NC(=O)CSc2nc3ccccc3s2)ccc1Cl 409173459 NOBIEOJMDFXFCG-UHFFFAOYSA-N 420.943 5.247 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCc2ccccc2)cc1 409378239 NWQOMFMKBNHBTH-NRFANRHFSA-N 406.507 5.033 0 40 HKAB O=C(NC[C@@H](c1ccco1)c1cccs1)NC(c1ccccc1)c1ccccc1 585146772 OIYUYAWCZVQSRT-FQEVSTJZSA-N 402.519 5.562 0 40 HKAB CC(C)(C)CC(=O)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 643550357 CRLZDTHFSVFSBB-MRXNPFEDSA-N 410.949 5.192 0 40 HKAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(C)o2)n2c(nc3ccccc32)N1 1078326 PSWSSZPBBIFOOI-QHCPKHFHSA-N 412.493 5.482 0 40 HKAB Cc1ccc2cc(CN(C(=O)Nc3ccc(F)cc3)C3CCCC3)c(=O)[nH]c2c1C 1378332 LDWNHFSHSFJKAM-UHFFFAOYSA-N 407.489 5.261 0 40 HKAB COc1ccc(-c2noc(CC(=O)Nc3ccccc3)c2-c2ccc(OC)cc2)cc1 1462217 NTRZQNAKRFBUDA-UHFFFAOYSA-N 414.461 5.207 0 40 HKAB Cc1ccc(OCc2nnc(SCc3cccc(C)c3)n2-c2ccccc2)cc1 2237149 NNPVNYNRJABBEC-UHFFFAOYSA-N 401.535 5.755 0 40 HKAB CCOP(=O)(OCC)[C@@H](Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 2373059 BMKMSESLGWFBTE-QGZVFWFLSA-N 405.328 6.221 0 40 HKAB O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc(Cl)nc1 2623648 RCUZWIMULHYWKR-UHFFFAOYSA-N 419.790 5.258 0 40 HKAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccco2)n1-c1ccccc1 2661233 YDQPJVKDSWXDST-UHFFFAOYSA-N 419.506 5.421 0 40 HKAB Cc1sc(NC(=O)Cc2cccc(C(F)(F)F)c2)nc1-c1cccc(Cl)c1 3330260 QQSTVDDLYYVRTE-UHFFFAOYSA-N 410.848 5.972 0 40 HKAB Cc1cc(OCCCn2cc(C(=O)c3ccccc3)c3ccccc32)ccc1Cl 3648901 OJQIKOZLSLNJAL-UHFFFAOYSA-N 403.909 6.303 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC(=O)C2=C3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4082216 LINVVMHRTUSXHL-KDIXGSMSSA-N 400.647 6.712 0 40 HKAB biogenic O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(Cl)cc1Cl 4176315 SHOBXSLVQJFOSS-UHFFFAOYSA-N 406.319 5.979 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccc4c(c2)OCO4)N3)C1 4554742 XRRDFPBFBZMZRB-ROGXMRDCSA-N 424.566 5.788 0 40 HKAB Cc1ccc(-n2c(SCCCc3ccccc3)nc3sc(C)c(C)c3c2=O)cc1 4680286 URCRBVCGXDWVBZ-UHFFFAOYSA-N 420.603 6.097 0 40 HKAB CC(C)CN1C(=S)SC(C)(C)[C@@H]1N(O)C(=O)Nc1cccc2ccccc12 4795223 LTXLRSHZUZMEJV-KRWDZBQOSA-N 403.573 5.157 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCc1ccccc1-3 4857155 VLLXXZMLUGTFKH-UHFFFAOYSA-N 418.587 6.023 0 40 HKAB Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)c1 5249583 SKVUNLOSHDBFSF-NRFANRHFSA-N 416.864 5.208 0 40 HKAB CCCCc1ccc(NCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1 5250197 UXOABUMTVHRXDO-CPNJWEJPSA-N 400.931 5.789 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(C(C)C)cc4)ccc3o2)cc1C 6033449 APSYDELXSXGPQY-RIYZIHGNSA-N 410.517 6.887 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(Oc2ccccc2)cc1 6496024 GJZRSWJAIZMECO-UHFFFAOYSA-N 406.441 6.539 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3ccc(C)cc3)n2)cc1Br 6845136 HMLZOAKFCCYZCY-UHFFFAOYSA-N 403.301 5.142 0 40 HKAB CSc1nc2ccccc2c(=O)n1-c1cc(C(F)(F)F)ccc1C(F)(F)F 6872549 APYKBVDYGCHIED-UHFFFAOYSA-N 404.335 5.145 0 40 HKAB CCOc1cccc(CNCCc2c[nH]c3ccccc23)c1OCc1ccccc1 7539469 ADPONBGUCHPPSH-UHFFFAOYSA-N 400.522 5.478 0 40 HKAB CCOc1c(Br)cc(C(=O)Nc2cccc3ccccc23)cc1OC 7653931 QBQFQRBBITZROZ-UHFFFAOYSA-N 400.272 5.262 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc5ccccc5c4)cc3)nc2c1 8198221 GCDZLMUQPHPBCV-SFHVURJKSA-N 420.512 7.414 0 40 HKAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1c(Cl)cccc1Cl 8747009 MYSMTCHRLPDONM-UHFFFAOYSA-N 419.337 5.182 0 40 HKAB COC(=O)c1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)n(C)c2ccccc32)cc1 9186331 IVXSSLDKGOCFGC-UHFFFAOYSA-N 424.456 5.482 0 40 HKAB CCOc1ccc(Nc2nc(NCCC(C)C)nc3c2cnn3-c2ccccc2)cc1 9573579 NDGKUJRVSJCQID-UHFFFAOYSA-N 416.529 5.416 0 40 HKAB O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccccc1Br 10128814 YWQNOHLPSWWLCL-UHFFFAOYSA-N 420.262 5.475 0 40 HKAB CCOc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCCC3)n2)cc1 10213480 GEAOVLAXFFHJQW-UHFFFAOYSA-N 410.909 5.011 0 40 HKAB Cc1cc(C)c2c(-n3cccc3)c(-c3cc(=O)oc4cc(O)c(Cl)cc34)sc2n1 11865375 ROUQOSUDGZMBDI-UHFFFAOYSA-N 422.893 5.836 0 40 HKAB biogenic Cc1ccc(Cl)cc1NC(=O)c1c(N)c(C(=O)c2cccs2)n2ccccc12 12342163 JKNBNMKUZZHVOS-UHFFFAOYSA-N 409.898 5.028 0 40 HKAB CC[C@@H]1CCCCN1C[C@@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 12494869 FQCKFBWOIYBMAE-FGZHOGPDSA-N 422.396 5.725 0 40 HKAB COc1ccc([C@@H]2OC[C@@]3(COC(=O)Nc4ccccc4)[C@@H](C)C=C(C)[C@@H]2[C@@H]3C)cc1 13424922 OGCHLIHOPGTPPY-VRLJXTJWSA-N 421.537 5.850 0 40 HKAB CC(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)cc1 13786826 AIBDQQPNJGKKKO-GJZUVCINSA-N 412.489 5.781 0 40 HKAB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC 16389995 CVQHTUBGWYFDSR-VGOFMYFVSA-N 405.281 5.255 0 40 HKAB COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cn3nc(C)c(Cl)c3C)n2)c1 17093355 NJRHDCYPCHNYST-UHFFFAOYSA-N 422.916 5.207 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc(OC)cc1 20452925 ZZQUUMBPYMTZPW-INOOMSPWSA-N 405.925 6.157 0 40 HKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 20488227 SSVXWRFQSPQVSB-FQEVSTJZSA-N 414.933 5.152 0 40 HKAB CCCC(=O)Nc1ccc2nc(SCCOc3cc(C)cc(C)c3)sc2c1 20895155 IGJRWOWEFRGQLR-UHFFFAOYSA-N 400.569 5.823 0 40 HKAB O=C(/C=C/c1ccccc1Br)N1CCC[C@H](c2nc3ccccc3o2)C1 27375843 TUSXBVGPCSWNBQ-PCUGXKRQSA-N 411.299 5.010 0 40 HKAB CCN(CC)[C@@H](CNC(=O)/C=C/c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 28290625 KBNWGGFMSJKKOX-FADXNGITSA-N 413.005 5.850 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)Nc3nc(-c4ccc(C)s4)ns3)sc2c1 28405063 WBGJCUNTDNWKFZ-UHFFFAOYSA-N 405.957 6.004 0 40 HKAB CSc1ccc(-c2noc(CSc3ccc(-c4ccc(C)c(C)c4)nn3)n2)cc1 33022107 KTTMVVLYGLQHJH-UHFFFAOYSA-N 420.563 5.825 0 40 HKAB CCN1C/C(=C/c2ccccc2C(F)(F)F)c2nc3ccccc3c(C(=O)O)c2C1 33467016 HCOQVNGTXIMHDC-PTNGSMBKSA-N 412.411 5.328 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)c1 38858312 UMQKJQYYRUGFPO-KRWDZBQOSA-N 405.325 5.047 0 40 HKAB O=C(Nc1ccccc1OCc1cscn1)c1[nH]c2ccc(F)cc2c1Cl 58430522 BYHBTDRKOSMCGG-UHFFFAOYSA-N 401.850 5.248 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)cc(F)c2)c(C)c1 67297215 HHIBNEYPQXTRBG-PNHLSOANSA-N 404.416 5.813 0 40 HKAB O=C(OCc1c(Cl)cccc1Cl)C1CN(Cc2c(Cl)cccc2Cl)C1 79438588 DCEBKNNXEAWOOO-UHFFFAOYSA-N 419.135 5.475 0 40 HKAB CN(C(=O)Nc1nc(C(F)(F)F)cs1)[C@@H](c1ccccc1)c1ccc(F)cc1 95949301 ZGYDTAMQYSZYMJ-INIZCTEOSA-N 409.408 5.554 0 40 HKAB C[C@H]1C[C@@]2(C)Oc3ccccc3[C@@H]3OC[C@]1(COC(=O)Nc1ccccc1)[C@@H](C)[C@@H]32 100742266 UONFBIWUOHBYQS-DVFZAGQASA-N 407.510 5.436 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4nc5ccccc5n4[C@@H](c4ccco4)C3=C(O)C2)cc1 102580797 CKHGRVWZCFELCM-GYCJOSAFSA-N 411.461 5.703 0 40 HKAB CC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)C[C@H](C)C[C@@H]2[C@H]1c1ccc(Cl)cc1 107896414 OIQJDCCKLRKESC-OEMPOWLQSA-N 413.348 6.382 0 40 HKAB O=C(COc1cccc2ccccc12)NCCSCc1c(Cl)cccc1Cl 218909738 WZDHCOKXRWXODQ-UHFFFAOYSA-N 420.361 5.575 0 40 HKAB O=C(CSCc1ccccc1Cl)Nc1nnc(-c2ccc(Cl)cc2)s1 222670121 VRUXCWANRKMXKW-UHFFFAOYSA-N 410.351 5.384 0 40 HKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4cc(Cl)ccc4C)o3)N21 222715468 DJEHXVPBGXPVBV-WQTXXOFMSA-N 423.969 6.283 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccc(Cl)cc1 222841410 FESBKAYSCSEFMN-JOCHJYFZSA-N 418.002 5.426 0 40 HKAB Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c2ccccc2)c(C)c1 223222568 PVXURCPUFRNHQC-IDISGSTGSA-N 413.561 5.855 0 40 HKAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)C1(c2ccccc2)CCCC1 223714478 PWPPEOHKTSJSEC-UHFFFAOYSA-N 417.553 5.505 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 223936616 VIMJIDLYELYOOK-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Fc1ccc(C2(CNC(=S)Nc3ccc(Br)cn3)CCCCC2)cc1 224005281 NTMSREFUORSYGX-UHFFFAOYSA-N 422.367 5.172 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1cccc(Cl)c1 224153388 NVRCOUXYPAPPKB-HNNXBMFYSA-N 413.876 5.558 0 40 HKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 224562318 RYMOTQMSHSHKAE-DHIUTWEWSA-N 418.566 5.184 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)NCc1cccc(CN2CCCC2)c1 224592216 RZBCDCXUHLGXHD-UHFFFAOYSA-N 423.409 5.139 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1nnc(SCc2cccc(C)c2)s1 225041951 UCGJBAYFQLBFLY-UHFFFAOYSA-N 405.932 5.053 0 40 HKAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)n1 225286949 PCYHWXMEEIMUEL-UHFFFAOYSA-N 411.505 5.380 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NCCCSCc2ccccc2)cc1Cl 225598702 RYNCCOLXSGLHAY-UHFFFAOYSA-N 423.003 5.127 0 40 HKAB CCOC(=O)c1cc(NC(=S)N[C@@H](c2ccccc2C)C(C)C)ccc1Cl 225761782 BDBRWCDFAOUOCT-LJQANCHMSA-N 404.963 5.509 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C(=O)OC 225765144 QNVXSYXKDSQBLL-UHFFFAOYSA-N 415.917 5.366 0 40 HKAB COc1cccc(-c2nnsc2C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 225766404 YBONUBYJITVSMA-UHFFFAOYSA-N 413.808 5.138 0 40 HKAB COC(=O)c1cccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)c1 225863088 GNJMUPIXLRDQBH-UHFFFAOYSA-N 416.974 5.359 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccc(C)cc3)n2)cc1 408725506 QGOXBCKRFXOILD-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB CCOc1ccc2ccccc2c1-c1nc(O)c2c3c(sc2n1)CCCCCC3 408986403 CEHBHUREQFUHMB-UHFFFAOYSA-N 404.535 6.275 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(Cl)c1O[C@H](C)CC 409018979 ZSQZNIXNXXLJRD-MDDWGPDPSA-N 411.951 5.751 0 40 HKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 409099605 RGINXHZPUNBONN-UHFFFAOYSA-N 403.526 5.852 0 40 HKAB Cc1ccc(S[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 409176878 ZUXYGJGMVANGLS-AWEZNQCLSA-N 414.423 5.832 0 40 HKAB CC[C@@H]1CCc2nc3sc(C(=O)c4ccc(Br)cc4)c(N)c3cc2C1 661977 SOZKNVCNYFZFIR-LLVKDONJSA-N 415.356 5.387 0 40 HKAB O=C(Nc1ccccc1C(=O)Nc1cccc2ccccc12)c1ccccc1Cl 1081640 JQNBKGHOIKOUBR-UHFFFAOYSA-N 400.865 5.998 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)c3cnccn3)C3CCCCC3)cc2c1 1238262 OMXPPLBSWJWWMQ-UHFFFAOYSA-N 408.933 5.270 0 40 HKAB CC(=O)C(Cc1ccc(Cl)cc1Cl)(Cc1ccc(Cl)cc1Cl)C(C)=O 1393863 ZAXVBTJZVOFCEL-UHFFFAOYSA-N 418.147 6.250 0 40 HKAB CCCCN(CCCC)CCC(=O)c1cc(-c2ccccc2)oc1-c1ccccc1 1687310 MDTVCCGWRHZFDK-UHFFFAOYSA-N 403.566 7.089 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc(Cl)c3)c2C(=O)OC)C1 2092990 IIEUCVWMELAYLM-CQSZACIVSA-N 419.974 5.982 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)cc1 2226730 YPETWVQAYQMMJA-UHFFFAOYSA-N 420.925 5.266 0 40 HKAB COc1ccc([C@H](O)P(=O)(OC2CCCCC2)OC2CCCCC2)cc1OC 2397254 KBQXQPGQMNAITC-OAQYLSRUSA-N 412.463 5.586 0 40 HKAB O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)c1cc(F)cc(F)c1 2660545 BZDVWTNEZJQRAV-UHFFFAOYSA-N 409.461 5.701 0 40 HKAB CCOc1ccc([C@@H]2C[C@@H](c3ccc(OC(F)F)cc3)n3ncnc3N2)cc1Cl 2918180 SCRBMSSODOZNTF-IRXDYDNUSA-N 420.847 5.078 0 40 HKAB CCC1(CC)O[C@H](c2ccc(-c3ccc(Br)cc3)o2)Nc2ccccc21 3087906 XSZCLOBAZIHQCR-OAQYLSRUSA-N 412.327 6.865 0 40 HKAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)C1(c2ccc(F)cc2)CCCC1 3216220 BAPJKVGJJMUITF-UHFFFAOYSA-N 418.516 5.261 0 40 HKAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(C(C)C)cc3C(C)C)o2)cc1 3285454 TZJOORDIWTWVNN-INIZCTEOSA-N 424.566 6.356 0 40 HKAB CCCCOc1ccc(-c2n[nH]c(C)c2Oc2ccc3c(c2)OCCCO3)c(O)c1 3985036 LRDKVPGXSKAFMZ-UHFFFAOYSA-N 410.470 5.223 0 40 HKAB biogenic O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Cl)cc1Cl 4063035 POQAPFAFBNIGKM-UHFFFAOYSA-N 400.290 5.917 0 40 HKAB CCOC(=O)c1oc2ccccc2c1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 4162638 ZSJMLJJGDDUSDZ-UHFFFAOYSA-N 401.846 5.059 0 40 HKAB Cc1ccc(-c2nsc(SCC(=O)Nc3nc4ccc(C)cc4s3)n2)cc1 4167383 WQTADHKCVWUWKH-UHFFFAOYSA-N 412.565 5.162 0 40 HKAB Cc1cc(I)ccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 4691322 QBAFUSOGJBGVFV-KPKJPENVSA-N 419.306 5.549 0 40 HKAB Cc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)cc1Cl 4699670 GUJPHOHQHUGVGB-UHFFFAOYSA-N 413.329 6.831 0 40 HKAB Cc1cc(C)cc(Nc2c(-c3cc(Br)ccc3O)nc3ncccn23)c1 4735180 QZCHGGSQELLJMD-UHFFFAOYSA-N 409.287 5.225 0 40 HKAB CCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(Cl)cc1 4816686 PZZZVMJBBJHILK-QZTJIDSGSA-N 401.297 5.062 0 40 HKAB Cc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2ccc(C)cc2)cc1 4891543 IMLVWSDNZDKFFX-UHFFFAOYSA-N 405.567 5.537 0 40 HKAB Clc1cccc(-c2nnc3n2N=C(c2ccc(-c4ccccc4)cc2)CS3)c1 5081769 DZPRKAKEFFCRCT-UHFFFAOYSA-N 402.910 5.624 0 40 HKAB Cc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(Br)ccc4n3)o2)cc1 5234069 PMWWKPPZZHVHDA-UHFFFAOYSA-N 408.251 5.931 0 40 HKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1 5985107 ROGNDZKHUZKLDS-UHFFFAOYSA-N 411.288 6.616 0 40 HKAB Cc1cc(C)c(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3C)c2)c(C)c1 6681759 VUQQELVFGYKAEN-UHFFFAOYSA-N 414.552 5.035 0 40 HKAB CCc1ccc(OCC(=O)Oc2cc(-c3ccccc3)c3oc(=O)sc3c2)cc1 6809659 RQILIXQFWNFVHN-UHFFFAOYSA-N 406.459 5.068 0 40 HKAB CCN(C(=O)[C@@H](C)Sc1nc(C(F)(F)F)nc2ccccc12)c1ccccc1 7160839 FCWXVPVYYITDAH-CYBMUJFWSA-N 405.445 5.182 0 40 HKAB CCOc1ccc(-c2csc(NC(=O)CSc3ccc(Cl)cc3)n2)cc1 7511397 FCGXFRSFEAMOOW-UHFFFAOYSA-N 404.944 5.593 0 40 HKAB Cc1sc2ncn(CC(=O)c3ccc(Cl)s3)c(=O)c2c1-c1ccccc1 7537533 STSYPVSXSFJHBR-UHFFFAOYSA-N 400.912 5.031 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)cc1 8196669 JOJGHSQFQBYTGE-QGZVFWFLSA-N 414.505 6.659 0 40 HKAB O=C(CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Nc1nccs1 8834369 USMZLNZZWUESHR-UHFFFAOYSA-N 422.573 6.141 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccccc3Cl)sc3ccccc3c2=O)cc1 9327993 IJTMRANEPXPGQP-UHFFFAOYSA-N 421.905 5.843 0 40 HKAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3cccc(Cl)c3C)cs2)cc1 9625412 ZLGXYGXKGJTZQJ-UHFFFAOYSA-N 414.918 5.239 0 40 HKAB COc1ccc2sc(N(Cc3ccccn3)C(=O)c3ccc(SC)cc3)nc2c1 10187604 VAZBNZXNOORTOU-UHFFFAOYSA-N 421.547 5.269 0 40 HKAB Cc1ccc(-c2ccc(CCC(=O)Nc3ncc(Cc4cccc(C)c4)s3)o2)cc1 11690421 VFKBKSCSIKHCDW-UHFFFAOYSA-N 416.546 6.182 0 40 HKAB Cc1cc2oc(C(=O)Nc3onc4c3C[C@H](C(C)(C)C)CC4)cc(=O)c2cc1Cl 11915235 APRPUDVISBSSSQ-GFCCVEGCSA-N 414.889 5.146 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(-c2cccnc2)nc2ccccc12 12568063 MNKMWKJDPRKULT-UHFFFAOYSA-N 408.505 5.539 0 40 HKAB C[C@@H](Nc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 12588506 UUJQMIGOZGVPMD-HXUWFJFHSA-N 415.537 5.305 0 40 HKAB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cccc(C)c1 13842660 VMLHBMUFLGPEDR-UHFFFAOYSA-N 424.570 5.040 0 40 HKAB CO[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@@]132 17003635 DSVYQBSADVVKNY-VXKXQDQMSA-N 400.691 7.733 0 40 HKAB COc1ccc(-c2nnc(NC(=O)c3ccccc3-c3ccccc3)s2)cc1OC 18193834 ZELOSKKGFYOMSR-UHFFFAOYSA-N 417.490 5.142 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccccc3C(C)C)ccc21 20456664 CFHSKANPNJLSTI-SFHVURJKSA-N 400.522 6.344 0 40 HKAB Cc1c(CNC[C@H](O)c2ccccc2)c2ccccc2n1Cc1ccccc1Cl 20476811 ZUKKDQQHQRVVSI-VWLOTQADSA-N 404.941 5.475 0 40 HKAB CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2ccc(C)c(C)c2)CC1=O 21524553 LWMKNYRKQHAYRK-OAQYLSRUSA-N 419.569 5.238 0 40 HKAB CCOc1ccc(-c2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC 27529795 AOZGKMSDNAOGRZ-UHFFFAOYSA-N 409.486 5.084 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2cc(NCc3ccccc3Cl)ncn2)c1 33301454 AAJPYGIINGFLHN-UHFFFAOYSA-N 412.946 5.090 0 40 HKAB CCn1ncc2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc21 58407582 NSXYHGAPHQVQLY-UHFFFAOYSA-N 401.310 5.346 0 40 HKAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 59341816 MWVIKTRAGCLSJX-UHFFFAOYSA-N 413.304 5.484 0 40 HKAB CCOc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1 67288458 OPEYUFGIIPQEOE-UHFFFAOYSA-N 407.489 5.011 0 40 HKAB O=C(Nc1nccs1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)c(F)c1 67294953 ZOXNQLCCRICDFR-MOHJPFBDSA-N 417.824 5.306 0 40 HKAB Cc1ccc(C)c(C[S@@](=O)[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 84142468 GBXJXDPLLPVINB-QWVSSGJLSA-N 417.880 5.252 0 40 HKAB O=c1oc2c(Cl)cc(Cc3ccccc3Cl)cc2cc1-c1nc2ccccc2[nH]1 95471155 ZNTNGAFXGDFYBB-UHFFFAOYSA-N 421.283 6.234 0 40 HKAB O=C(c1ccco1)[C@H]([C@@H](c1ccc(Cl)cc1)N1CCCCC1)N1CCCCC1 97447406 ABBUBZLTHBIYDK-YADHBBJMSA-N 400.950 5.197 0 40 HKAB C1=C(c2cccs2)Nc2ncnn2[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 101090283 KMGCJYFWHFNDQS-OAQYLSRUSA-N 422.517 5.248 0 40 HKAB CC1(C)CC2=Nc3ccccc3N(Cc3ccccc3)[C@@H](c3ccccc3)C2=C(O)C1 102649776 NFPPOAFPWPQAEJ-MHZLTWQESA-N 408.545 7.153 0 40 HKAB Nc1c(-c2nnc(-c3ccc(Cl)cc3)o2)sc2nc(-c3cccs3)ccc12 215678891 OYLKJJXDQYZRRI-UHFFFAOYSA-N 410.911 5.977 0 40 HKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 222887674 RVQJYIQOUBDXBW-QHCPKHFHSA-N 408.542 5.061 0 40 HKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 222935507 TUKOTUOFWGFGHH-LEWJYISDSA-N 409.580 5.454 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)NC(C)(C)C)cc1 223216324 IWNWTBORSJVIJG-XMMPIXPASA-N 422.613 5.212 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 223420384 HYQFJRSLYRWATQ-QFQXNSOFSA-N 401.550 6.100 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 223666109 QETBCDAUEBVXES-DNQXCXABSA-N 417.549 6.196 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccc(Cl)cc1 224157036 VRRQDMREMLNKKU-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB Cc1cc(O[C@H](C)C(=O)NCc2cccc(CN3CCCCC3)c2)cc(C)c1Cl 224670843 JJZBPDRUPXQBJT-LJQANCHMSA-N 414.977 5.026 0 40 HKAB Cc1ccc(-c2nnc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)s2)cc1 224803416 DYFWNVBHEOEESX-UHFFFAOYSA-N 424.378 5.692 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 224893913 QNUKAEZDDVJKDD-UHFFFAOYSA-N 409.272 6.568 0 40 HKAB COc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)cc1C(C)C 225150389 UCPKUMFSVSYOBD-UHFFFAOYSA-N 409.507 5.827 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccccc3OCc3ccccc3)ccc21 225157568 ZJMSUOQQOXLGDE-UHFFFAOYSA-N 418.518 5.475 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)N[C@H]3C[C@H]4CC[C@@H]3C4)c2)cc1 225323606 JWIJSPRKRMSMHN-CECAUBDESA-N 406.595 5.690 0 40 HKAB Fc1ccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)cc1F 225345684 FPEAMGOTIQQSCS-UHFFFAOYSA-N 407.338 5.491 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)c(C)c1 225511236 XZACFJAYPBCNBO-QHCPKHFHSA-N 418.562 5.556 0 40 HKAB C[C@@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)C1 225534172 NCYUACLXDJQWKA-JOCHJYFZSA-N 420.597 5.638 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c2ccccc12 225760648 NIGXNALXEIAFTE-OAQYLSRUSA-N 415.577 7.166 0 40 HKAB CCc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@@H](c2ccccc2)N3)cc1 250514704 MTLYDWYLYWTAMD-VAOGHPRRSA-N 422.572 6.798 0 40 HKAB CC(C)Cn1nc(-c2ccc(F)cc2OCC(=O)O)cc1-c1ccc(Cl)cc1 257297720 RIOUHOZOGAUFGM-UHFFFAOYSA-N 402.853 5.129 0 40 HKAB Fc1cnc(Nc2ccc(Cl)cc2Cl)nc1Nc1ccc(Cl)cc1Cl 408545433 YQIWWUICIHKHBP-UHFFFAOYSA-N 418.086 6.717 0 40 HKAB Fc1ccc(CNC(=S)c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 408572735 HYULGEWMYIMHME-UHFFFAOYSA-N 420.336 6.177 0 40 HKAB O=C(O)c1cccc(NCc2c(OCc3ccc(F)cc3)ccc3ccccc23)c1 408605396 GXUCITWIQGZOTP-UHFFFAOYSA-N 401.437 5.868 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccc(F)cc2)c1 408697234 GJIARAIXMLGTKV-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CCCc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccc(OC)cc1 408830894 GPBJDBOEJMGJBZ-UHFFFAOYSA-N 421.349 6.330 0 40 HKAB Cc1cccc(C(=O)Oc2ccccc2/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)c1 408839446 SIBTVAJPICKNQN-XSFVSMFZSA-N 417.848 5.212 0 40 HKAB Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 409175934 FCROHBMDQXZBEJ-LJQANCHMSA-N 418.562 5.607 0 40 HKAB COc1cc(-c2nc(O)c3ccccc3n2)ccc1OC(=O)c1cccc2ccccc12 409248375 FVQWVGSXMMKQGU-UHFFFAOYSA-N 422.440 5.383 0 40 HKAB CCCc1nc(COc2ccc(C)c(C)c2)c(C(=O)O)cc1-c1cccc(Cl)c1 585265336 LVSJGLPRKXKRPR-UHFFFAOYSA-N 409.913 6.249 0 40 HKAB CC(C)=CCC[C@]1(C)Oc2cc(-c3ccc(C(=O)O)cc3)ccc2[C@@H]2OCCC[C@H]21 585265573 KGAJMXNTSYGRMS-CWDLOFLHSA-N 406.522 6.417 0 40 HKAB Cc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccc(Cl)cn3)cs2)cc1 585294542 IDOVJOUEGKYNAG-LJQANCHMSA-N 412.946 5.089 0 40 HKAB CC(C)Cn1c([C@@H]2CCCN2C(=O)CCCCCn2cccc2)nc2ccccc21 604419004 GPNURBWJHRFMEE-QHCPKHFHSA-N 406.574 5.418 0 40 HKAB COc1ccc(-c2ccc3c(c2)CN(CC(C)C)CCCCCCCN3C(C)=O)cn1 643570116 LIBBSSJLSQTSJT-UHFFFAOYSA-N 423.601 5.532 0 40 HKAB Cc1cccnc1CN1CCC2(CC1)CO[C@@H](c1cccc(Cl)c1)[C@H](C(C)C)C2 1615528144 NLKNMFAZKXJREK-UPVQGACJSA-N 413.005 6.059 0 40 HKAB COc1ccccc1Cc1cc(C(=O)Nc2ccccc2OC2CCCC2)ccn1 2037843768 ILEKIEAINUJEIQ-UHFFFAOYSA-N 402.494 5.255 0 40 HKAB O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(Br)cc1 633195 KOUALEPJNMWHRX-UHFFFAOYSA-N 402.288 5.191 0 40 HKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(F)cc4Cl)c(N)c3cc2C1 661851 UUDZDWYEJKLWGP-SNVBAGLBSA-N 403.910 5.438 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(OCC(C)C)cc4)ccc3o2)c(C)c1 677319 JJWMIOBSVMVHJW-UHFFFAOYSA-N 414.505 6.399 0 40 HKAB Cc1ccc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)c1 717497 BGIXBLOTMITKKC-HNNXBMFYSA-N 419.546 6.128 0 40 HKAB Cc1ccccc1OCc1nnc(SCC(=O)c2ccccc2)n1-c1ccccc1 898753 KMOWRXFLLSKOAA-UHFFFAOYSA-N 415.518 5.130 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 980444 TWNUNDZHWREWPL-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB Cc1oc2cc3oc(=O)c(CCC(=O)NCCC4=CCCCC4)c(C)c3cc2c1C 2093686 GFNRMVQIJROLIO-UHFFFAOYSA-N 407.510 5.404 0 40 HKAB biogenic Cc1coc2cc3oc(=O)c(CCC(=O)Nc4ccc(C(C)C)cc4)c(C)c3cc12 2148776 VCSUTJDSMPTBLI-UHFFFAOYSA-N 403.478 5.851 0 40 HKAB biogenic Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(F)cc1)N1C(=N2)C(O)=Nc2ccccc21 2325572 CXBWDQMFMLGLGU-QFIPXVFZSA-N 423.451 5.561 0 40 HKAB Cn1c(SCc2ccc(-c3ccccc3)cc2)nnc1-c1ccc(C(C)(C)C)cc1 2342813 UNZNWYGMBNSWFQ-UHFFFAOYSA-N 413.590 6.739 0 40 HKAB CN(Cc1ccccc1)C(=O)CSc1ncnc2sc(-c3ccccc3)cc12 2628192 BUXZTVXWFXMTPO-UHFFFAOYSA-N 405.548 5.109 0 40 HKAB O=C(COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)Nc1ccco1 2636643 KADYFPMGBRFVAE-UHFFFAOYSA-N 418.421 5.133 0 40 HKAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccccc1-c1ccccc1 2642281 XSJXSKQJUYNFTQ-UHFFFAOYSA-N 412.445 5.113 0 40 HKAB CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1cccc(C(F)(F)F)c1 2721899 NKKWXSKGWTUKAB-UHFFFAOYSA-N 407.417 5.172 0 40 HKAB CCc1c(-c2ccc(OC)cc2)nn(-c2cccc(Cl)c2)c1-c1ccc(OC)cc1 2733421 DXRLGRHNEUVBDN-UHFFFAOYSA-N 418.924 6.439 0 40 HKAB Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C)c(Cl)c3)n2)cc1Cl 2749880 GPXNBTICRHZYPX-UHFFFAOYSA-N 414.292 5.510 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1nnsc1Sc1ccc(Cl)cc1 3105582 QKXDAUGNKVKDJM-UHFFFAOYSA-N 416.742 5.902 0 40 HKAB O=C(Nc1ccc(Cl)cc1)OCc1cccnc1Sc1ccccc1Cl 3105754 CDHXDRMLRIAXCG-UHFFFAOYSA-N 405.306 6.288 0 40 HKAB Cc1ccc(NC(=O)COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(Cl)c1 3215515 SFKYNGDFYSCWMA-UHFFFAOYSA-N 415.961 6.039 0 40 HKAB Cc1ccc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc23)cc1C 3267583 GJVSYVSDWDKMLO-UHFFFAOYSA-N 405.548 5.706 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2ccc(Cl)cc2N)c2ccccc2)c1 3310111 HUFKMXJDSRRWBZ-OAQYLSRUSA-N 408.885 5.076 0 40 HKAB CC(C)c1ccc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)cc1 3349995 XQCRDGSVXVTUFK-UHFFFAOYSA-N 401.582 5.517 0 40 HKAB Clc1ccc(Oc2sc(Nc3ccccc3Cl)nc2-c2ccccc2)cc1 3666510 YFMVUTSEKSRGSI-UHFFFAOYSA-N 413.329 7.653 0 40 HKAB Cc1ccccc1C(=O)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1 4078226 BXAMEYNGWZXQEE-UHFFFAOYSA-N 409.458 5.410 0 40 HKAB Cc1ccc2[nH]c(SCc3nc4ccc(Cl)cn4c3Br)nc2c1 4136435 NZYYJSJZTKYBGF-UHFFFAOYSA-N 407.724 5.227 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)cc1 4670494 YRKFQDYBWDEMIP-UHFFFAOYSA-N 406.869 6.108 0 40 HKAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)cc1 4933057 WAILGIMGANPSKT-UHFFFAOYSA-N 415.449 5.109 0 40 HKAB CCCCSc1nc(NCCCN(C)C)c2c3c(sc2n1)CO[C@@](C)(CC)C3 5164879 KYXAJDYQBKXAKG-NRFANRHFSA-N 422.664 5.189 0 40 HKAB COc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1OC 5169429 PSQQUJHELZBPQG-UHFFFAOYSA-N 409.294 5.386 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1 5420625 FVCKXZKKOOUILU-UHFFFAOYSA-N 420.896 6.579 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccccc1)[C@H](O)c1ccc(F)cc1 5446723 YVTJBQMCEPLZNF-PQRJYFGUSA-N 404.462 5.898 0 40 HKAB Cc1ccccc1-c1nc(C(=O)NCCCc2ccccc2)cc2c1[nH]c1ccccc12 6090650 CAWAARXVFKLUMY-UHFFFAOYSA-N 419.528 6.054 0 40 HKAB biogenic C[C@H]1CCCCN1CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 6592874 BNJCFVMKBBNGGG-RXFWQSSRSA-N 411.549 5.392 0 40 HKAB O=C(CN1CCc2ccccc2C1)Nc1ccccc1Sc1ccc(Cl)cc1 6602944 PLHLOKAJQDDFBW-UHFFFAOYSA-N 408.954 5.488 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(OCC(C)C)cc4)ccc3o2)c1 6825823 RHUCTMZIRLBLGB-UHFFFAOYSA-N 414.505 6.399 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 7779081 CQBCWZQFHWXSJU-NSDYXAQKSA-N 415.940 5.308 0 40 HKAB CC(C)[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C)c1ccc2c(c1)OCCCO2 7781096 HVPOOSQXFDUWOA-GOTSBHOMSA-N 415.961 5.754 0 40 HKAB O=C(Oc1ccccc1-c1ccccc1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 7929107 ZFDWABCCMAZRAU-OAQYLSRUSA-N 407.469 5.465 0 40 HKAB COc1cc(CNC2CCCCCC2)ccc1OCc1c(Cl)cccc1Cl 8471276 WUYYPWYQHLMZJP-UHFFFAOYSA-N 408.369 6.393 0 40 HKAB CCCNC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)c(Cl)c2)n1 8477060 BMXVRVOMQRQKIV-UHFFFAOYSA-N 409.704 5.034 0 40 HKAB CCCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 8718640 KIGJQIKRGBHIAH-ZDUSSCGKSA-N 418.925 5.267 0 40 HKAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N[C@H](C)c1cccs1 8762950 NAIQPCHENPKAOH-QGZVFWFLSA-N 417.534 5.160 0 40 HKAB Cc1ccc2c(=O)cc(C(=O)Nc3oc4ccccc4c3C(=O)c3ccccc3)oc2c1 8915255 SZWXSHGMMQTUTM-UHFFFAOYSA-N 423.424 5.331 0 40 HKAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc21 8959654 UKUAGJLQGHVIQB-UHFFFAOYSA-N 420.431 5.119 0 40 HKAB Fc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@H](c3ccc(Cl)cc3)C2)cc1 9761177 CZFUWBFMYXKGCI-FQEVSTJZSA-N 419.714 7.142 0 40 HKAB COc1cc(C(=O)N(C)Cc2nc3ccccc3s2)cc(Cl)c1OC(C)C 10286047 PWHBAJZYHPJXLX-UHFFFAOYSA-N 404.919 5.018 0 40 HKAB Cc1cc(NC(=O)c2c(C)nc3sc4c(c3c2-c2ccco2)CC[C@@H](C)C4)no1 11122790 QOTULEMROCJEDG-LLVKDONJSA-N 407.495 5.538 0 40 HKAB Cc1ccc(NC(=O)CCc2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1C 11835477 DIHPOHQFCLZMFY-UHFFFAOYSA-N 413.930 5.237 0 40 HKAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)c2cccs2)cc1 12861563 VFFMYZZBKVVYBS-UHFFFAOYSA-N 402.878 5.065 0 40 HKAB C[C@]12CC[C@H](OC=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C#Cc1ccccc1 13400606 YRJDKDJYIUMOKX-OABJTCSASA-N 420.593 5.354 0 40 HKAB biogenic CC[C@H](C)C(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccco2)c2ccccc21 13592696 NRNRYUUUBITFNB-YYDVJCTNSA-N 416.521 5.839 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCC(C)C)cc1 13942349 XFFSTKJUWHNTCE-MHZLTWQESA-N 408.545 6.735 0 40 HKAB COc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)cs2)cc1 15832755 FUJVRKMRJAUAIK-KRWDZBQOSA-N 424.566 5.334 0 40 HKAB CC1(C)Cc2cccc(OCc3ccc(C(=O)NCc4ccccc4Cl)cc3)c2O1 15881117 GVKPCXRXKGWIQV-UHFFFAOYSA-N 421.924 5.563 0 40 HKAB Cc1ccc(-c2nc(C(=O)N[C@@H](c3ccc(Cl)cc3)c3nccn3C)cs2)cc1 16263146 IBDFRSFOJNGSJV-IBGZPJMESA-N 422.941 5.025 0 40 HKAB O=C(Cn1nc(COc2ccccc2)oc1=S)N(c1ccccc1)c1ccccc1 16769598 IJQCMFMUNRZTEL-UHFFFAOYSA-N 417.490 5.149 0 40 HKAB O=C(C[C@H](c1ccc(Br)cc1)c1cccc2ccccc12)c1ccccc1 16971023 NJBQUFWYVBXQIC-XMMPIXPASA-N 415.330 7.007 0 40 HKAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)CC(c2ccccc2)c2ccccc2)C1 17823373 QQXTUGLQDQMZMQ-HSZRJFAPSA-N 412.533 5.086 0 40 HKAB Cc1ccc(C(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 19593430 FLYIHTMXEVVEDD-XMMPIXPASA-N 404.941 5.196 0 40 HKAB CC(C)CCNc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 20171985 GXYIZFZJTOTYQA-UHFFFAOYSA-N 409.603 5.567 0 40 HKAB CSc1nc(SCc2ccc(Cl)cc2)c2c3c(sc2n1)CN(C)CC3 20358293 OHUCVUCZUWYQCU-UHFFFAOYSA-N 408.017 5.347 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc3ccccc23)cc1 20492627 HSUFCJUSVHZPBU-QFIPXVFZSA-N 405.494 5.593 0 40 HKAB Cc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3sccc3C)no2)cc1C 21524276 WFTVRUOMLOQFNT-UHFFFAOYSA-N 406.507 5.764 0 40 HKAB O=C(Nc1ccccc1)c1cc(Cl)ccc1OCc1nc(-c2ccc(F)cc2)no1 22748114 IYJVPGVMHRMKML-UHFFFAOYSA-N 423.831 5.360 0 40 HKAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3cccc(-c4nnco4)c3)cccc2c1=O 24696686 XISSYQVOAFUPRT-UHFFFAOYSA-N 423.428 5.071 0 40 HKAB COc1ccc(-c2cc(CS[C@@H](C)C(=O)Nc3ccc4c(c3)CCC4)on2)cc1 24843759 DXBSEHQJCFEORG-HNNXBMFYSA-N 408.523 5.099 0 40 HKAB COc1ccccc1CN(C)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 30849980 KZUPIAVGVGGQOC-UHFFFAOYSA-N 411.954 5.913 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 30941348 KGFHIZFJQKIYCG-HXUWFJFHSA-N 420.940 5.983 0 40 HKAB COc1ccc(-c2csc(CCNC(=O)c3ccc(Cl)c(Cl)c3)n2)cc1 31848802 NORMXOPISZOZSB-UHFFFAOYSA-N 407.322 5.098 0 40 HKAB COc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccc(Cl)cc4)no3)cc2)cc1 32623217 DJRXMINBBDVYPP-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(-c3ccccc3F)s2)CC1 32816350 ZKBHIVYIEIDQFW-UHFFFAOYSA-N 408.498 5.045 0 40 HKAB CCn1c(COc2ccccc2OC)nnc1SCc1ccc(Cl)c(Cl)c1 33794245 PZYBUWQWZLJGFN-UHFFFAOYSA-N 424.353 5.485 0 40 HKAB C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(C(F)(F)F)cc1 40071858 HYJGOCJJMWAJPB-ZDUSSCGKSA-N 422.834 5.824 0 40 HKAB O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccc(F)c(F)c1 96124433 ZTZPCTSECAVJIQ-UHFFFAOYSA-N 408.433 5.479 0 40 HKAB CC(C)(C)C(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)N(c1ccccc1)c1ccccc1 100426716 FDAGOPCFVOZGMV-GOTSBHOMSA-N 419.569 5.493 0 40 HKAB COc1cccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccccc2)c1 101355380 SRSDKNZJGCPMPI-UHFFFAOYSA-N 405.837 5.374 0 40 HKAB COc1c(Cl)cc(O)c(-c2c(O)ccc3cc(Br)ccc23)c1Cl 169796327 HVBYXOMHCHOVER-UHFFFAOYSA-N 414.082 5.996 0 40 HKAB CCOc1ccc(-c2cnc(NCc3ccc(OC)c(OC)c3)n2C[C@H](C)CC)cc1 199421388 GARWANYFPSPLGB-GOSISDBHSA-N 423.557 5.624 0 40 HKAB CC[C@@H](NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C)c1ccc2c(c1)CCCC2 223137696 YJIJCGIAVXQSGI-JOCHJYFZSA-N 415.599 5.435 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1Cc1ccccc1 223404415 FMMTVWFHUWOYPF-RPWUZVMVSA-N 410.546 5.045 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccccc1 224363198 KLXZVTBHFLPZOK-UHFFFAOYSA-N 415.411 5.935 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2cc(C)ccc2C)c1 224464430 NENJZTLXRJRGBU-MIDMBNTASA-N 418.562 5.322 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)NCc1ccc(CN2CCCC2)cc1 224514899 CYMITJQGZIOETL-UHFFFAOYSA-N 402.991 5.125 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccc(Cl)c(C)c1 224542515 AIOVVOIGJZTZQP-UHFFFAOYSA-N 413.876 6.018 0 40 HKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C(C)C)c1C 224563604 ZWUJMLJRNSLHHF-DHIUTWEWSA-N 420.582 5.267 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCC2)cc1COc1cccc2ccccc12 224628397 HROLJUDZYGSGFI-UHFFFAOYSA-N 403.522 5.880 0 40 HKAB CCOC(=O)c1cc(NC(=O)CCc2ccc(Cl)c(Cl)c2)ccc1Cl 225332733 PBICUZWFCYVZEL-UHFFFAOYSA-N 400.689 5.395 0 40 HKAB O=C(CCc1ccc(C(F)(F)F)cc1)NCc1ccc(Oc2nccs2)cc1 225647488 PAOGDSPCFHMFHR-UHFFFAOYSA-N 406.429 5.203 0 40 HKAB Cc1cc(Br)ccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2N)o1 226348537 QJVDIKKKFRXNJJ-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB Cc1ccc(C(=O)O)c(OCC(=O)N(Cc2ccc(F)cc2)[C@H](C)c2ccccc2)c1 257217190 CXXRCJLNWIGWGJ-GOSISDBHSA-N 421.468 5.001 0 40 HKAB COc1ccc(COc2ccc(-c3nc(O)c4c5c(sc4n3)CCCC5)cc2)cc1 408735956 ZYJNOENIWYJTMJ-UHFFFAOYSA-N 418.518 5.530 0 40 HKAB COc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(C)c(C)c3)sc2C)cc1 409194318 JYZUUUSBWGFYIL-UHFFFAOYSA-N 408.523 5.346 0 40 HKAB O=C1N/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1Cc1ccccc1 409206778 PTSBJURVLVFLPE-WOJGMQOQSA-N 413.260 5.346 0 40 HKAB CC[C@H](C)[C@H](NC(=O)C[C@H](c1ccsc1)n1cccc1)c1nc2ccccc2[nH]1 524735457 DBCIAKGZKPKXDM-AQKFKSFVSA-N 406.555 5.309 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C)c(F)c4)sc3n2)c1 661228 OLVKCMZBCLYBDW-UHFFFAOYSA-N 407.470 5.254 0 40 HKAB aggregator Cc1ccc(-n2c(C)nnc2S[C@H](C)C(=O)Nc2cccc3ccccc23)cc1 676522 YJTVHVOYSQNVMJ-MRXNPFEDSA-N 402.523 5.157 0 40 HKAB Cc1cccc2c(C(=O)N3CCCCC3)cc(-c3ccc(Br)cc3)nc12 991110 WCMOYGZIYQEEPI-UHFFFAOYSA-N 409.327 5.599 0 40 HKAB Cc1cc(C)c(C)c(Cn2c([C@@H]3CC(=O)N(c4ccccc4)C3)nc3ccccc32)c1C 1448234 GPIVKKMUNCLQGL-JOCHJYFZSA-N 423.560 5.839 0 40 HKAB O=C(Nc1cccc2ccccc12)N1CCN(C(=O)Nc2cccc3ccccc23)CC1 1668708 QRGGVWIPJMMKIM-UHFFFAOYSA-N 424.504 5.375 0 40 HKAB CCCCOP(=O)(OCCCC)[C@@H](Nc1ccccc1)c1ccc2c(c1)OCO2 1770976 DDCAESDSEFBKNJ-JOCHJYFZSA-N 419.458 6.353 0 40 HKAB Cc1cc([C@@]2(C(F)(F)F)C=C3c4ccccc4CC(C)(C)N3C2=O)cc(C)c1O 2072640 ONQVBIJJALLHSH-QFIPXVFZSA-N 401.428 5.027 0 40 HKAB COc1ccc(CN(CC[C@H](c2ccccc2)c2ccco2)C(=O)c2ccco2)cc1 2292970 YCFXNWRTAJGVPN-HSZRJFAPSA-N 415.489 5.746 0 40 HKAB Cc1sc(/N=c2\cc(-c3cccs3)oc3ccccc23)nc1-c1ccccc1 2425270 UYUWYINJRSSANX-HKOYGPOVSA-N 400.528 6.826 0 40 HKAB CC(C)(C)OC(=O)COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1 2657628 WMCCWLBURMHUFC-UHFFFAOYSA-N 409.454 5.243 0 40 HKAB CCCCSc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(C)cc1 2721676 HPIJCTVOCXERFL-UHFFFAOYSA-N 401.553 5.683 0 40 HKAB Cc1ccccc1NCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 2887610 PLQJGCGBELRRTF-UHFFFAOYSA-N 406.338 5.400 0 40 HKAB O=P(Nc1ccccc1F)(Oc1ccccc1Cl)Oc1ccccc1Cl 3177113 VMHXLPJOHMHITK-UHFFFAOYSA-N 412.184 6.811 0 40 HKAB Cc1ccc(-c2ccc(OC(=O)c3ccccc3I)cc2)cc1 3195806 HCXLAYZRUSSHGQ-UHFFFAOYSA-N 414.242 5.486 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)COc3ccc(Br)cc3)ccc21 3200056 MNDJIPQTGKXBSK-UHFFFAOYSA-N 423.310 5.594 0 40 HKAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)cc1 3200882 NQUZLSIWTKCPKV-UHFFFAOYSA-N 404.457 6.379 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc(Cl)cc1Cl 3205766 SUZKWEQGJVQSDR-UHFFFAOYSA-N 417.679 6.707 0 40 HKAB CCCCc1cc2c(=O)c(-c3cc4ccccc4o3)coc2cc1CC(=O)OCC 3219109 QGFNTFYFYOOKAZ-UHFFFAOYSA-N 404.462 5.654 0 40 HKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=S)Nc3ccc(OC)cc3)cc2)cc1 3262886 LDLUOYZHRNRJSL-UHFFFAOYSA-N 420.578 6.984 0 40 HKAB Cc1ccc(C)c(-n2c(S[C@H]3CCCCC3=O)nnc2-c2ccccc2Cl)c1 3263271 ZXFFZLRUXNPUIW-FQEVSTJZSA-N 411.958 5.808 0 40 HKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1ccc(F)cc1 3265664 YMHQVGAMBNVFFI-UHFFFAOYSA-N 403.862 5.637 0 40 HKAB COc1ccc(C2=CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]5CC[C@H](OC(C)=O)[C@@]5(C)CC[C@H]43)C2)cc1 3850078 KXXIKUQRERCHIS-HPUCLRBXSA-N 422.609 6.663 0 40 HKAB Oc1cc(Cc2nc3ccccc3s2)c(O)cc1Cc1nc2ccccc2s1 4135361 IDPRIMGGDAYANZ-UHFFFAOYSA-N 404.516 5.499 0 40 HKAB CCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](OC(=O)CC)[C@@]4(C)CC[C@@H]32)C1 4214858 ZDDFOEZPFDWEQS-YMKPZFJOSA-N 402.575 5.593 0 40 HKAB biogenic CCN(CC)c1ccc2cc(-c3csc(Nc4ccccc4OC)n3)c(=O)oc2c1 4562234 IKTOYTYOVKDFMN-UHFFFAOYSA-N 421.522 5.515 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 4838559 AEFAOKWVLWFMPJ-UHFFFAOYSA-N 416.546 6.703 0 40 HKAB COc1ccc(-c2noc(-c3cccc(NC(=O)c4ccccc4Cl)c3)n2)cc1 5346386 IQMIBCRBYSAXHJ-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(c3nc(-c4ccc(C)c(C)c4)c(C)s3)C(=O)[C@@H]21 5795192 SOLLMDNHUHVKOG-KJWXAFIESA-N 406.551 5.217 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 6024028 BXZSHGNVIFQDGP-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB CC(C)n1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nc2ccccc2c1=O 6651412 FWKRYRPSHCRNCC-QHCPKHFHSA-N 414.530 5.694 0 40 HKAB COc1cccc(NC(=O)c2sc(Nc3ccccc3)nc2-c2ccccc2)c1 6831631 XWMDVVYPSMETIY-UHFFFAOYSA-N 401.491 5.815 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c2ccccc12 6961890 AFMBEKNVBWZQTF-LPYMAVHISA-N 414.486 5.347 0 40 HKAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2cccc(Cl)c2)cc1 7141379 RSSWEVXIBWYQSD-HSZRJFAPSA-N 420.896 5.105 0 40 HKAB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cc2ccccc2o1 7272914 NFRYSBCUHMRGSX-UHFFFAOYSA-N 421.518 5.744 0 40 HKAB Cc1cccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)c1 8320690 WPPHXLQTHVMIKF-UHFFFAOYSA-N 413.329 6.831 0 40 HKAB CC(C)n1ncc2c(C(=O)Nc3cccc(/C=C/c4ccccn4)c3)cc(C3CC3)nc21 8339723 OCCGMOMURMPPED-FMIVXFBMSA-N 423.520 5.707 0 40 HKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccc(Cl)cc1 8367662 HILZLUGPOSZBCO-UHFFFAOYSA-N 412.880 5.788 0 40 HKAB C[C@@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1)c1ccc(F)cc1 8723988 XQPJPMYMXSPCSQ-DYVFJYSZSA-N 418.921 5.221 0 40 HKAB CCc1cccc(C)c1Nc1c(-c2cc(Br)ccc2O)nc2ncccn12 9290201 QERNNWOGZTZQIP-UHFFFAOYSA-N 423.314 5.479 0 40 HKAB O=C1c2ccccc2N[C@H](c2csc(-c3ccc(Cl)cc3)n2)N1Cc1ccco1 9548874 DHYYMAZMTPAKAY-FQEVSTJZSA-N 421.909 5.823 0 40 HKAB Fc1ccccc1-c1nnc(SCc2cc(Cl)c3c(c2)OCCO3)n1C1CC1 9670402 MMXQJJBYKFSMGO-UHFFFAOYSA-N 417.893 5.136 0 40 HKAB Clc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)[nH]2)c(Cl)c1 9699126 UUZXCRWFUKDPJP-UHFFFAOYSA-N 404.282 5.121 0 40 HKAB CC(C)(C)c1ccc(C(=O)NCC(=O)OC(c2ccccc2)c2ccccc2)cc1 10040249 JMQZAICYMWVCHJ-UHFFFAOYSA-N 401.506 5.047 0 40 HKAB O=C(CCCc1c[nH]c2ccccc12)NC[C@@H](c1ccccc1Cl)N1CCCC1 12756892 TXVDIPVMBVOUIQ-QHCPKHFHSA-N 409.961 5.097 0 40 HKAB COc1ccccc1[C@H](C)NC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 13115842 KVGNRCZEMDPUPV-AWEZNQCLSA-N 423.513 5.093 0 40 HKAB Cc1ccc(-c2nn(Cc3cc(C)ccc3C)c(-c3ccc(C)cc3)c2Cl)cc1 13960455 TYBJLZQCPKAVGK-UHFFFAOYSA-N 400.953 7.152 0 40 HKAB O=C(COC(=O)CSc1cccc2cccc(Cl)c12)NCCC1=CCCCC1 14070361 GTVVNDGDMOBBKD-UHFFFAOYSA-N 417.958 5.135 0 40 HKAB Cc1nc(COc2ccc(C(=O)N[C@H]3CCSc4c(F)cccc43)cc2)cs1 14248375 LXTUESXKSSMKJE-IBGZPJMESA-N 414.527 5.137 0 40 HKAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(-c3ccccc3)s2)NC(=S)N1 14877899 GTYRFSFAHMQLGI-OAQYLSRUSA-N 419.575 5.155 0 40 HKAB COc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1cccc(C)c1 16349246 CIVSPWMAXOQEMA-ODCRROIESA-N 419.609 6.277 0 40 HKAB COc1cccc(-c2cc(O)nc(SCc3nc(-c4ccccc4)oc3C)n2)c1 16840768 VWOXQPYIJVZJHP-UHFFFAOYSA-N 405.479 5.114 0 40 HKAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccc(OCC(C)C)cc3)sc2c1 17089673 FNOVETYOIYFHLS-UHFFFAOYSA-N 413.568 5.075 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=S)Nc1ccccc1S 17090170 KEQLPLAQZMROFP-ZRDIBKRKSA-N 414.939 5.415 0 40 HKAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1nc2c(C)ccc(C)c2s1 17092772 WNLWLRKXBMIRRD-UHFFFAOYSA-N 421.547 5.202 0 40 HKAB CCCc1nnc2sc(-c3ccc(NC(=O)c4ccc(C)c(Cl)c4)cc3)nn12 20609722 YVBHNRHKMTULJT-UHFFFAOYSA-N 411.918 5.019 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)cc1 20662801 VYCRITWHQPUEBU-UHFFFAOYSA-N 422.406 6.182 0 40 HKAB Cc1ccccc1Cc1c(C)nc2c(-c3nc(-c4ccc(F)cc4)no3)cnn2c1C 21657828 XWXLLPFBCFMMTC-UHFFFAOYSA-N 413.456 5.101 0 40 HKAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cccc(Nc3ncccn3)c2)c1 24858160 RFBQUWAGWILLGC-UHFFFAOYSA-N 424.464 5.117 0 40 HKAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(-n2cnc3ccccc32)nc1 32796674 RCYPBKFIAHVUIM-UHFFFAOYSA-N 417.519 5.166 0 40 HKAB Cc1ccc2c(CC(=O)Nc3cc(C(=O)Nc4ccccc4)ccc3Cl)coc2c1 32809148 CGFDONYKBOZZRB-UHFFFAOYSA-N 418.880 5.828 0 40 HKAB COC(=O)c1c(NC(=O)N2CCC[C@H]2c2ccccc2Cl)sc2c1CCCC2 35476556 FSHJYUNDEMYZGY-INIZCTEOSA-N 418.946 5.436 0 40 HKAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C3SCCS3)cc2)cc1OC 40039788 JCEHMEZJEFTEIF-SFHVURJKSA-N 415.580 5.160 0 40 HKAB O=C(COc1cccc(-c2noc(/C=C/c3ccccc3)n2)c1)Nc1ccc(F)cc1 40488348 PJLUNAIULRPAOF-NTEUORMPSA-N 415.424 5.064 0 40 HKAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 59342203 UYYSDYRUNYVAGT-UHFFFAOYSA-N 400.522 5.475 0 40 HKAB CCc1ccc(Cc2cnc(NC(=O)/C=C/c3cc4cc(Cl)ccc4o3)s2)cc1 67339211 WKTYPDURUBJVPQ-CSKARUKUSA-N 422.937 6.348 0 40 HKAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3[nH]ccc3c2)C12CCCC2 72324820 ZESYYKVHASWWGJ-GAJHUEQPSA-N 415.537 5.457 0 40 HKAB biogenic Cc1cnc(Nc2cccc([C@@H]3CCCN3C(=O)c3nccc4ccccc34)n2)s1 72375311 FOMCKASIFZGONS-IBGZPJMESA-N 415.522 5.116 0 40 HKAB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cccc(F)c4)C3=C(O)C2)cc1 102879390 JZHCSAJBOWBPNJ-HFJWLAOPSA-N 414.480 6.463 0 40 HKAB CCCCn1nc(C)c2c(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c(Cl)c(C)nc21 103160704 RCAGSOYIKVEZOW-ISWURRPUSA-N 402.970 5.056 0 40 HKAB COc1ccc(-c2ccc(CN(Cc3ccccc3)C3CCN(C)CC3)cc2)cc1 141524967 BXPIMTXJFFOCOJ-UHFFFAOYSA-N 400.566 5.459 0 40 HKAB C[C@@H]1CCCCN1Cc1cccc(NC(=O)c2ccccc2CN2CCCCC2)c1 141578579 SUMDNAYSWJEGRH-OAQYLSRUSA-N 405.586 5.299 0 40 HKAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCS[C@H](c2ccccc2Cl)CC1 206991372 YAVJFJFPJKVWSN-KRWDZBQOSA-N 403.960 5.112 0 40 HKAB CC(C)c1ccc(CCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 219412873 SMQBQWZRJVDLNF-UHFFFAOYSA-N 413.005 5.424 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3Cl)c2)cc1 224139034 LUQRBKGUWUBRMN-UHFFFAOYSA-N 423.940 6.523 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccccc1C 224379389 XJWJTYNKRKVYOG-OAQYLSRUSA-N 417.549 5.724 0 40 HKAB CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 224489795 ARWWUMRPUAPWDM-INIZCTEOSA-N 419.396 5.645 0 40 HKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1C 225066777 BXYQAYIVOFBBPI-VWLOTQADSA-N 420.597 5.102 0 40 HKAB CCOc1cc(CNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC 225770430 NNNQUHNLGDAYBE-UHFFFAOYSA-N 418.868 5.253 0 40 HKAB C(=C1/c2ccccc2[C@H]2[C@@H]1O[C@@H]1/C(=C/c3ccccc3)c3ccccc3[C@H]12)\c1ccccc1 226323521 QTCLDESTKURNLW-ANAHQKRDSA-N 424.543 7.430 0 40 HKAB Cc1cc(Nc2nccs2)cc([C@H]2CCN(Cc3ccnc4ccccc34)C2)n1 257252212 JTYGOCKXFBXRLZ-SFHVURJKSA-N 401.539 5.128 0 40 HKAB Cc1ccc(Oc2ccccc2O[C@@H]2CCC[C@@H](NCc3ccccc3)[C@H]2O)cc1 257313375 USCWVRZHUKATDL-DNRSQYFGSA-N 403.522 5.238 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cc(Cl)ccc1C 408619085 FYHPOFNEUXCVDO-UHFFFAOYSA-N 403.718 5.091 0 40 HKAB Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)c(Cl)c1 408629028 IMLLSGWOXGOIKR-GFCCVEGCSA-N 404.963 5.212 0 40 HKAB CCc1ccc(-n2c(SCCOc3ccc(C)cc3)nnc2-c2ccccc2)cc1 409096663 LSUMCGMVFQTVCB-UHFFFAOYSA-N 415.562 5.976 0 40 HKAB COc1cc(CNc2cccc(Cl)c2C)ccc1OCc1cccc(Cl)c1 409109488 FXNDIFUDDNTXOS-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB Cc1ccc(Cl)cc1NCc1ccc(OCc2cccc3ccccc23)c(Cl)c1 409119945 RENRBTOLJHQWHR-UHFFFAOYSA-N 422.355 7.646 0 40 HKAB COCc1cccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)c2ccc(C)o2)c1 585105915 YOSYBJSIBVSEPM-UHFFFAOYSA-N 417.505 5.110 0 40 HKAB CC(C)CC(=O)N1CCCCCCCN(C(=O)C2[C@H]3CCCC[C@H]23)Cc2ccccc21 643553319 LGTFOYSRKZFOLA-GOTSBHOMSA-N 424.629 5.795 0 40 HKAB Nc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)sc2nc(-c3ccncc3)ccc12 661166 COAPWMGOQUPWPZ-UHFFFAOYSA-N 415.305 5.500 0 40 HKAB O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 851373 RRMKJXQIOQFUMY-UHFFFAOYSA-N 400.261 5.242 0 40 HKAB Cc1ccc(SC2=C(Nc3cccc(F)c3)C(=O)N(Cc3ccccc3)C2=O)cc1 938233 RVCYGBQRJMPZRT-UHFFFAOYSA-N 418.493 5.119 0 40 HKAB COc1cc([C@@H]2Nc3ccc(Cl)cc3[C@@H](c3ccccc3)O2)cc(OC)c1OC 1303748 JUFWFWSUTQTHPJ-FYYLOGMGSA-N 411.885 5.596 0 40 HKAB C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)OCc4ccccc4)c23)C1 1377285 LUGABRRMNHNPHZ-CQSZACIVSA-N 424.591 5.529 0 40 HKAB O=C(c1ccncc1)c1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1 1440323 ADTDMHJJLPUQMZ-UHFFFAOYSA-N 424.525 5.857 0 40 HKAB Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)NCc1ccc(F)cc1 2086045 RUYIDJIHRTZVOK-UHFFFAOYSA-N 404.872 5.933 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1sc2ccccc2c1Cl 2160893 ZFNISMDRDJGRFU-UHFFFAOYSA-N 424.875 6.426 0 40 HKAB COc1cc(OC)c(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1Cl 2252652 ZMCNJTJOKISTGV-UHFFFAOYSA-N 422.897 5.368 0 40 HKAB COc1ccc(OC)c([C@H](Nc2ccccc2)P(=O)(OC(C)C)OC(C)C)c1 2276476 QUUJCYCJKQGYDU-OAQYLSRUSA-N 407.447 5.858 0 40 HKAB CCCOc1ccc(/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)cc1OCC 2303075 YAHIDUCXZNRHDH-STZFKDTASA-N 401.462 5.372 0 40 HKAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccccc1OC 2399402 DTKJEXGVKNSGFX-QABMSTFYSA-N 424.481 5.512 0 40 HKAB COc1ccccc1Oc1c(C)oc2cc(OCc3ccccc3Cl)ccc2c1=O 2402266 FRLBPMUYMIEFME-UHFFFAOYSA-N 422.864 6.135 0 40 HKAB biogenic Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(c1nc(C)cs1)C3=O 2426559 BULOCHFCEFMYKP-SFHVURJKSA-N 422.893 5.270 0 40 HKAB CC(=O)Oc1ccc(-c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1Cl 3260189 QBKBEPBLIAZBEO-UHFFFAOYSA-N 414.288 6.146 0 40 HKAB Nn1c(Cc2cccc3ccccc23)nnc1SCc1c(Cl)cccc1Cl 3260191 MMTMHLFKQRYSQY-UHFFFAOYSA-N 415.349 5.335 0 40 HKAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Cl)c(NC(=O)c2cccs2)c1 3432498 IZPLEIYHTRYBRY-GOSISDBHSA-N 410.926 5.461 0 40 HKAB CCOC(=O)CCCCCCCC[C@H](C)c1ccc(I)cc1 3830956 LAYLQVBQIBQVLL-INIZCTEOSA-N 416.343 6.079 0 40 HKAB world CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3cccc(C)c3C)c2c1 4610406 VERBZBZIDYRBPO-UHFFFAOYSA-N 414.936 6.987 0 40 HKAB Cc1ccc(-c2n[nH]c3c2[C@H](c2cccnc2)N(c2ccc(Cl)cc2)C3=O)cc1 4914218 TZHFRWYIJQYPOW-QFIPXVFZSA-N 400.869 5.183 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)N(c1ccc(F)cc1)c1nc2ccccc2s1 4980026 HNRWKVGNQFZACP-VGOFMYFVSA-N 408.885 6.467 0 40 HKAB COc1cc(NC(=O)c2cccc(C)c2)ccc1NC(=O)c1cc2ccccc2o1 5754995 CCNCCGSRFQMVNQ-UHFFFAOYSA-N 400.434 5.254 0 40 HKAB CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)c1 5984777 WLDCLTZKZUCTQO-JTQLQIEISA-N 413.326 5.003 0 40 HKAB Cn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccccc1 6140508 JDTDAJXIZXOCCA-UHFFFAOYSA-N 416.506 5.005 0 40 HKAB CCc1ccccc1NCC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 6161540 QFQZJXFZMXJNHP-UHFFFAOYSA-N 420.365 5.654 0 40 HKAB COc1ccc(-n2c(S[C@@H](C)C(=O)c3cc(C)ccc3C)nc3ccccc32)cc1 6565306 IGBZVBJNUIRYKQ-SFHVURJKSA-N 416.546 6.014 0 40 HKAB Cc1cc(Br)ccc1NCN1C(=O)S/C(=C/c2ccccc2F)C1=O 8451288 UEIHKIRLQWTCLQ-CXUHLZMHSA-N 421.291 5.003 0 40 HKAB CC(C)COc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 8590676 ULVAZAAEJIEJOT-UHFFFAOYSA-N 420.900 5.361 0 40 HKAB O=Cc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 8870216 YHHSBPORHWZWOF-CHHVJCJISA-N 411.788 5.412 0 40 HKAB O=C(C1CCN(Cc2cccc(Cl)c2)CC1)N1CCC(Cc2ccccc2)CC1 9063300 NTJFRBUYEFGBFS-UHFFFAOYSA-N 410.989 5.033 0 40 HKAB COc1ccc(-c2c(NC(=O)Cc3ccccc3)oc3ccc(Cl)cc3c2=O)cc1 9327698 MELRYTNECFXCPV-UHFFFAOYSA-N 419.864 5.303 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4cc(C)c(C)cc4o3)c2)cc1 9531082 GMPYSTVZZRNNGO-UHFFFAOYSA-N 402.450 5.387 0 40 HKAB CC(=O)[C@H](CC(=O)N(C)C(c1ccccc1)c1ccccc1)c1nc2ccccc2o1 9537016 UGKKCCBYFYIHBP-NRFANRHFSA-N 412.489 5.139 0 40 HKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 12137634 LERCKRNFHKZKSX-HSZRJFAPSA-N 408.542 5.196 0 40 HKAB Fc1ccc(-c2nc(CSc3nc(NC4CC4)c4ccccc4n3)cs2)cc1 12910512 YWVZXAJUJABXJM-UHFFFAOYSA-N 408.527 5.759 0 40 HKAB COc1ccc(NC(=O)[C@@H](N[C@H](C)c2cccs2)c2ccccc2)cc1Cl 12974415 CZNBVKLUCXWFJV-VLIAUNLRSA-N 400.931 5.441 0 40 HKAB CCCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1 13644751 TYOFQDFUJUNEAB-IZHYLOQSSA-N 417.534 6.013 0 40 HKAB CCOc1ccc2c(c1)-c1c(ss/c1=N\c1cccc(Cl)c1C)C(C)(C)N2 13764660 OUIWNRSKLWQWSP-ATJXCDBQSA-N 416.999 6.730 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc3nc(NC(=O)CCC)sc3c2)c1 17088946 BSLSUWZQUOWOEM-UHFFFAOYSA-N 411.527 5.466 0 40 HKAB Cc1c(Cl)ccc2c(C(=O)N3CCC(C)CC3)cc(-c3ccc4c(c3)OCO4)nc12 17093345 KOOFOOXUHFUCRI-UHFFFAOYSA-N 422.912 5.464 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@H]32)C1 17299315 FCQRLHQHKFKTQE-VUDSHFTHSA-N 418.618 6.078 0 40 HKAB Cc1cc(C)cc(OCc2nnc(SCc3ccc(Br)cc3)o2)c1 20196984 ZOKTVZGABKKULX-UHFFFAOYSA-N 405.317 5.320 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 20484855 YCLHKCWNAYNURX-XZOQPEGZSA-N 409.982 6.425 0 40 HKAB CCCCc1ccc(NC(=O)c2cnc3scc(-c4ccc(F)cc4)n3c2=O)cc1 20767944 BFBQSWADEJZVCP-UHFFFAOYSA-N 421.497 5.157 0 40 HKAB Cc1ccc(OCCSc2nc3ccc(NC(=O)C(C)(C)C)cc3s2)cc1 20895109 WYGILWUGESJPLQ-UHFFFAOYSA-N 400.569 5.760 0 40 HKAB Cc1cc(C)cc(OCCSc2nc3ccc(NC(=O)C(C)(C)C)cc3s2)c1 20895164 ROOSJNVXLACITF-UHFFFAOYSA-N 414.596 6.069 0 40 HKAB CC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(C)cc1 22532928 YAMWRTWQVFPYED-IBGZPJMESA-N 418.375 5.701 0 40 HKAB Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 24606128 SOORNIWFOOWLOT-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CN1/C(=C\[P@@](O)(=Nc2ccc(F)cc2)c2ccccc2)C(C)(C)c2ccccc21 25316122 HNMNOSZDBVYWHN-BUZOZPSQSA-N 406.441 6.160 0 40 HKAB C[C@@H](c1ccccc1)N(C)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 25616732 VUHRNIBMBUHYSF-AWEZNQCLSA-N 404.457 5.591 0 40 HKAB COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1O 28975151 WNTSESKSUIKCQL-CHHVJCJISA-N 412.319 5.113 0 40 HKAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(Br)ccc2Cl)cc1OC 32895168 MBFCQJRFOQQBAK-INIZCTEOSA-N 424.722 5.097 0 40 HKAB O=C(COc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1)Nc1cccc(Cl)c1 33327326 JVELGQADGRKTLL-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB CCOc1cc(C(=S)N2CCCC2)ccc1OCc1ccc(Br)cc1 33717357 NAYAGRUTSZQQFP-UHFFFAOYSA-N 420.372 5.198 0 40 HKAB COc1cccc(CN2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2ccccc2F)c1 40485456 POMDGHUDCRBBDP-HSZRJFAPSA-N 403.453 5.196 0 40 HKAB Cc1cccnc1Nc1nc(-c2sc(NC(=O)c3cccs3)nc2C)cs1 40556499 HSXXGKVULYKRAX-UHFFFAOYSA-N 413.553 5.336 0 40 HKAB O=C(NCc1cccc(COCc2ccccc2)c1)[C@H]1CCC[C@H](C(F)(F)F)C1 44524015 PMEXUECNIUSGJZ-SFTDATJTSA-N 405.460 5.388 0 40 HKAB Cc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c1C 46078951 UGNKUKXTZBDQNS-UHFFFAOYSA-N 402.469 5.288 0 40 HKAB O=C(Nc1ccccc1Cl)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079072 HKHHPOQHYMEJBF-UHFFFAOYSA-N 408.860 5.324 0 40 HKAB Cc1ccc(-c2csc(-c3nnn(-c4ccccc4C(F)(F)F)c3N)n2)c(C)c1 49001875 YGTGQZQMXNKEFQ-UHFFFAOYSA-N 415.444 5.276 0 40 HKAB CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccsc1 69374852 DQRLUTAAHXEULP-HSZRJFAPSA-N 412.518 5.298 0 40 HKAB C[C@H](c1nc(C(C)(C)C)no1)N1CCCc2c(NC(=O)c3ccc(F)cc3)cccc21 72002146 QFRNWHYKYMDSJO-OAHLLOKOSA-N 422.504 5.272 0 40 HKAB Cc1ccn2c(CN3CCC[C@@H]3c3cccc(Nc4cccc(C)n4)n3)c(C)nc2c1 72375781 GJTIPZMEYYYBPG-OAQYLSRUSA-N 412.541 5.130 0 40 HKAB C[C@H]1C=CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4Cl)cc3)C(=O)[C@H]12 100648099 YKTVDFRFGDGFHY-XGINMYPSSA-N 402.277 5.487 0 40 HKAB CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(Cl)cc4)c(C)s3)C(=O)[C@@H]21 100859528 ZXAOMJKVEMPICG-LMSBXDPUSA-N 412.942 5.254 0 40 HKAB O=C1C[C@@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1ccc(Cl)c(Cl)c1 101277192 OWHHWLHAWPUUIE-CYBMUJFWSA-N 404.080 5.044 0 40 HKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 101986858 AIAACAPGUYHRFB-KCXPTXFHSA-N 418.968 6.418 0 40 HKAB CCCCn1nc(C)c2c(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c(Cl)c(C)nc21 103160701 RCAGSOYIKVEZOW-ZCPGHIKRSA-N 402.970 5.056 0 40 HKAB Cn1c(=O)c(C2=Nc3ccccc3N[C@@H](/C=C/c3ccccc3)C2)c(O)c2ccccc21 104827558 LQYXHQCHMLXYFS-VVLLFNJHSA-N 421.500 5.263 0 40 HKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3nc4ccccc4s3)o2)cc1C 107717105 SDLPRMHCUFNHJM-UHFFFAOYSA-N 407.520 5.300 0 40 HKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1C1CCCCC1 222916069 RLSJZFRJIZYWLH-PKTZIBPZSA-N 410.631 5.634 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1Cc1ccccc1 223393623 JJJUDIUMIGTZOE-ZEQRLZLVSA-N 416.594 5.561 0 40 HKAB C[C@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccccc3)CCCC2)cn1 223973873 JEKMGBZGWSZTKP-IBGZPJMESA-N 408.615 5.259 0 40 HKAB COc1cccc(OCc2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2OC)c1 224253253 ZNWRHTYCBROAPD-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1CSc1ccc(C)cc1 224341411 BJLHPLFEHSQKCC-UHFFFAOYSA-N 403.547 5.494 0 40 HKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 224449273 INSCMYCGFHYJNY-FCHUYYIVSA-N 406.530 5.314 0 40 HKAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 224621158 RCQQYXCKUAPYGL-GOTSBHOMSA-N 418.566 5.271 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(OC)c3)o2)cc1 224919420 VXKUMKLAKCBXOB-UHFFFAOYSA-N 414.461 5.668 0 40 HKAB O=C(Nc1ccc(OCCCN2CCCCC2)cc1)C1(c2ccccc2F)CCCC1 225516316 ZTJYHZHQOGNHDD-UHFFFAOYSA-N 424.560 5.531 0 40 HKAB CCCO[C@@]1(C(=O)Nc2ccc(OCCN3CCCCCC3)cc2)CCC[C@H](C)C1 225663452 XZMQUOUHDWTXES-OFVILXPXSA-N 416.606 5.255 0 40 HKAB O=C1[C@H](c2ccccc2)C(=S)N2[C@H]1Cc1c([nH]c3ccccc13)[C@H]2c1ccccc1 247710218 IVDBOCQRNBHGAG-WPFOTENUSA-N 408.526 5.178 0 40 HKAB CC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(Br)cc2)C1 257283223 OXHIWORCKFCZCX-HSALFYBXSA-N 422.750 5.590 0 40 HKAB Cc1ccc(COc2cccc(CNc3ccc(Br)c(Cl)c3)c2)cc1 408557053 MPQQGATUXDCLAQ-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 408697779 JJAIFTRLDMTHMG-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1ccc(COc2ccccc2/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409075940 VZLKVTZFEKTULT-FYJGNVAPSA-N 418.880 5.325 0 40 HKAB O=C1S/C(=C\c2ccccc2Sc2ccccc2)C(=O)N1c1cccc(Cl)c1 409210157 IIYOKNRYJQRKJK-MOSHPQCFSA-N 423.946 6.732 0 40 HKAB COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409369758 GCNGOSUSSRJMSG-UHFFFAOYSA-N 404.510 5.250 0 40 HKAB Fc1cccc(Oc2c(F)cc(C(F)(F)F)cc2F)c1I 1504250412 KMDRAKHUMMTXCL-UHFFFAOYSA-N 418.074 5.520 0 40 HKAB Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(C)cc2)N3)cc1 674945 AVMNAHJCASIZOO-MJGOQNOKSA-N 414.431 5.413 0 40 HKAB CC(C)(OC(=O)c1ccc(Cl)cc1Cl)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 792617 TUEJOWGKTTYSKR-GOSISDBHSA-N 419.260 5.039 0 40 HKAB Cc1ccc2cc3c(N)c(C(=O)Nc4cccc(C(F)(F)F)c4)sc3nc2c1 899163 CRNYOGXITHWPOO-UHFFFAOYSA-N 401.413 5.611 0 40 HKAB CC(C)Sc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 986202 DEKZGZOJWCGLPC-INIZCTEOSA-N 400.569 5.045 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccnc4)c3)nc2c1 1266071 FLZDWTQPAHIWLJ-AWEZNQCLSA-N 405.885 6.309 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2C)c(C)c1 1312359 YMULJPCWCKHODL-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 1320510 FUICWQAPRHSSOE-NDEPHWFRSA-N 421.496 5.156 0 40 HKAB Cc1cccc2cc(CN(Cc3ccco3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c12 1378188 UKEXFAHTGXPYMD-UHFFFAOYSA-N 421.884 5.317 0 40 HKAB Cc1cccc(OP(=O)(Nc2cccc3nsnc23)Oc2cccc(C)c2)c1 1846732 UECOTVRVQJAANV-UHFFFAOYSA-N 411.423 5.986 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Br)c2)N3)C1 2063296 BZYYKBSMMKFUII-SJCJKPOMSA-N 419.388 5.516 0 40 HKAB CCCOc1ccc(/C=C2/N=C(c3cccc4ccccc34)OC2=O)cc1OCC 2092293 FRTQCBKEWIDTQA-RCCKNPSSSA-N 401.462 5.372 0 40 HKAB CCSc1nc(NCCc2ccccc2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2244838 BUUDIYSFIZZBPS-QFIPXVFZSA-N 413.612 5.699 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C(C)(C)C)C3 2270850 HHEOOMBCUFUNCG-OAHLLOKOSA-N 412.624 6.100 0 40 HKAB Cc1nc2sc3c(NCCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 2297417 WXKONGGFLZTRNC-UHFFFAOYSA-N 404.539 5.054 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)SC3 2308206 GRZHUYGUFAYNFP-UHFFFAOYSA-N 402.610 5.517 0 40 HKAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2324384 FRKUVFRVEMJAME-QFIPXVFZSA-N 406.570 5.712 0 40 HKAB Cc1ccc(OCC(=O)n2nc(C)c(Sc3ccc(Cl)cc3)c2C)c(C)c1 2685854 RBAMUFUHDBGJQS-UHFFFAOYSA-N 400.931 5.641 0 40 HKAB CCOc1ccccc1C(=O)Oc1c(Sc2ccccc2)c(C)nn1C(C)(C)C 2718547 OGGIZIHIGRQMTA-UHFFFAOYSA-N 410.539 5.716 0 40 HKAB O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1cccc(C(F)(F)F)c1 2723710 ZONGSOUZMQTNRA-UHFFFAOYSA-N 411.836 5.275 0 40 HKAB O=C1C[C@@H](c2c(F)cccc2Cl)c2cc(Br)c3ccccc3c2N1 2757808 KUDPWQJTNWECDK-GFCCVEGCSA-N 404.666 5.869 0 40 HKAB CCc1cccc(CC)c1NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1 3235851 NVLRKJKPLTVAJH-UHFFFAOYSA-N 413.945 5.459 0 40 HKAB O=C(Nc1nc2c(s1)CCCC2)c1cn(-c2ccccc2)nc1-c1cccs1 3324070 DHHJXXCRJHONIH-UHFFFAOYSA-N 406.536 5.188 0 40 HKAB O=S(=O)(Oc1c(Cl)cc(Cl)c2cccnc12)c1ccc2ccccc2c1 3670645 WWJCWBPJLXRIRU-UHFFFAOYSA-N 404.274 5.463 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccccc2Cl)cc1 4715832 HRPPGUPDUYCTRY-ZJSXRUAMSA-N 420.896 5.600 0 40 HKAB O=C(c1ccccc1)N(Cc1cccnc1)C1(C(=O)Nc2ccccc2)CCCCC1 4879167 KDFLZWURDVIBCM-UHFFFAOYSA-N 413.521 5.066 0 40 HKAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1Sc1ccccc1 4979704 JKXYBAJWYQHGGV-UHFFFAOYSA-N 421.562 5.536 0 40 HKAB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1cccc(F)c1 4982770 MXQFOCROHKAXPR-UHFFFAOYSA-N 408.523 6.295 0 40 HKAB CNC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CC[C@@H](C)C2 5055570 OQQIXJCDPFEPQV-SNVBAGLBSA-N 418.971 5.353 0 40 HKAB CCC(=O)N(CC[C@@H](c1ccc(F)cc1)c1ccc(OC(C)C)cc1)Cc1ccco1 5500756 QENJVBKWMLEYGE-VWLOTQADSA-N 423.528 6.167 0 40 HKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C12CC3CC(CC(C3)C1)C2 5598584 VOABFVJPTKDGHN-UHFFFAOYSA-N 409.551 5.747 0 40 HKAB O=C(OCCOc1c(Cl)cccc1Cl)c1ccc2[nH]c3c(c2c1)CCCC3 5944197 URNLMGONDHGUEV-UHFFFAOYSA-N 404.293 5.589 0 40 HKAB Cc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCC(C)CC2)cc1 6009401 MPKCGNOAURBGRB-QHCPKHFHSA-N 422.594 6.340 0 40 HKAB CC(C)c1ccc2c(c1)C(c1cccs1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 6190903 ZJUVGHXGKXGOQX-UHFFFAOYSA-N 401.579 6.603 0 40 HKAB O=C(CSc1nccn1-c1cccc(F)c1)Nc1ccccc1-c1ccccc1 6606987 NSGQKRIQKRHKDU-UHFFFAOYSA-N 403.482 5.409 0 40 HKAB COc1ccc(Cl)cc1-c1nnc(SCc2ccc(Cl)cc2Cl)[nH]1 7605096 RQQVXBMXERWHGA-UHFFFAOYSA-N 400.718 5.733 0 40 HKAB O=C([C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1)N1CCCCC1 8133448 KBBYVSUECPQNCM-SFHVURJKSA-N 413.930 5.236 0 40 HKAB COc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 8470254 XJBKHKNVABSXAU-UHFFFAOYSA-N 403.856 5.496 0 40 HKAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)C1(c2ccc(Cl)cc2)CCCC1 8882635 KWRKKCGFARUESB-UHFFFAOYSA-N 423.969 5.723 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)C1CCN(Cc2ccccc2Cl)CC1 9063253 NAKPDJLXDYDAQR-UHFFFAOYSA-N 404.941 5.858 0 40 HKAB O=C(Nc1cccc2ccccc12)c1nc(SCc2ccccc2)ncc1Cl 9306803 PQISHTTYLOTEDP-UHFFFAOYSA-N 405.910 5.828 0 40 HKAB CC(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(Cl)cc3s2)cc1 9829686 MSEZLZHRKJVHAT-UHFFFAOYSA-N 421.909 5.394 0 40 HKAB COc1ccc(C(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1 12139210 UFFWSJWQDXXJST-UHFFFAOYSA-N 405.928 5.456 0 40 HKAB O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)N1CCOCC1 12575126 NGEVOOPYJIHRAN-IKBKFCNISA-N 408.265 6.072 0 40 HKAB Clc1cc(Cl)cc(-n2cc(-c3cnc4cc(Cl)c(Cl)cc4n3)nn2)c1 12955933 JGJDEAAVTOEBQD-UHFFFAOYSA-N 411.079 5.491 0 40 HKAB Cc1nc(-c2ccc(NC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)cc2)cs1 12989779 HBMIQDCHWIFDSZ-UHFFFAOYSA-N 423.538 5.647 0 40 HKAB CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 13030892 JPUNBMOUKBNZAT-LJQANCHMSA-N 402.969 7.088 0 40 HKAB Cc1ccc(-n2c(-c3ccc(Br)cc3)cs/c2=N\C(=O)C(C)C)cc1 13162965 PFFWSBGEVPLZPD-XDOYNYLZSA-N 415.356 5.360 0 40 HKAB COc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2Cc2cccnc2)cc1 13207245 LJHQQLVCTPPKFU-LVWGJNHUSA-N 407.926 5.554 0 40 HKAB O=C(CSc1nc2ccccc2c2nc(-c3ccc(Cl)cc3)nn12)c1ccco1 13640185 JYQHEWUGLCMZLC-UHFFFAOYSA-N 420.881 5.166 0 40 HKAB Clc1c(CSc2nnc(-c3cccs3)n2C2CC2)sc2ccccc12 14190144 TWOCKAVADGKRQO-UHFFFAOYSA-N 403.985 6.502 0 40 HKAB COc1ccccc1-c1cc(COC(=O)/C=C/c2ccc(Cl)c(Cl)c2)on1 14710114 AMLRVNYUFXOUML-VQHVLOKHSA-N 404.249 5.414 0 40 HKAB CCc1ccccc1NC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC)cc12 15880456 XRAJBYJRZPQAEL-UHFFFAOYSA-N 401.462 5.932 0 40 HKAB biogenic O=C(COc1cccc2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCCC1 17089805 APFHUWXFFMKUTP-UHFFFAOYSA-N 414.427 5.476 0 40 HKAB Cc1ccccc1N/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 18083560 ZTNLHMVBGLPAAB-XSFVSMFZSA-N 422.406 5.654 0 40 HKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 20482244 AMYZAUFUPWKIQM-SFHVURJKSA-N 421.924 5.902 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 20489083 PRHQDKGWVBHQCK-QHCPKHFHSA-N 409.982 6.440 0 40 HKAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCSCc3ccccc3Cl)cc2)C1 20495145 IJHYFOAPQNBHAV-SFHVURJKSA-N 417.018 5.235 0 40 HKAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 24746544 BQPQKVXSTQVMBI-UHFFFAOYSA-N 415.415 5.521 0 40 HKAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H](c1ccccc1)c1cccs1 25058638 PNIVZLQVOSOHKS-NRFANRHFSA-N 400.931 5.036 0 40 HKAB COc1cc(C2SCCS2)ccc1OCc1ncc(-c2ccc(Cl)cc2)o1 29463327 RKNRTOJYXLGXOO-UHFFFAOYSA-N 419.955 6.061 0 40 HKAB CCOc1ccc(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OCC 30857517 BRERULCGXKJLJL-UHFFFAOYSA-N 419.521 5.634 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(F)c(F)c4)cc3)n2)cc1 32578464 OWMSSDWBHIEGFL-UHFFFAOYSA-N 421.403 5.008 0 40 HKAB COc1ccc(NC(=O)CSc2ncnc3c(-c4ccccc4)c[nH]c23)cc1Cl 33291867 IUAPIVFFVYXUFW-UHFFFAOYSA-N 424.913 5.018 0 40 HKAB CCOc1c(Cl)cc(C(=O)Nc2cc(C)ccc2C)cc1OCc1ccccc1 33655472 SVYUEQHXNGSXGI-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CC(/C=C\[C@]1(C)[C@@H](C)CCC(=O)[C@@H]1C)=C\Cc1c(O)c(Cl)c(C)c(C=O)c1O 33953365 SETVRSKZJJWOPA-QNRMBLDJSA-N 404.934 5.559 0 40 HKAB C[C@@H](NC(=O)CN1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 34896523 FKCDPOLRFRSRCW-WBVHZDCISA-N 413.974 5.007 0 40 HKAB C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)c1c[nH]c2ccccc12 36686298 IQTCQVXCNAZZTG-SECBINFHSA-N 424.835 5.246 0 40 HKAB CCOc1ccc([C@@H](COCc2cccc(Oc3ccccc3)c2)C(F)(F)F)cc1 39163349 ZLAFALWCDWDCIC-HSZRJFAPSA-N 416.439 6.740 0 40 HKAB CCCCc1ccc(NC(=O)Cn2c(-c3cccc(Cl)c3)nc(C)c(C)c2=O)cc1 57528261 SYXCXNGKKKLWCC-UHFFFAOYSA-N 423.944 5.162 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)c1 59267859 NKKTYBGNHKIJAZ-UHFFFAOYSA-N 408.310 5.391 0 40 HKAB COc1ccc([C@H]2C(CN3CCCCC3)=C(c3cccs3)Oc3ccccc32)cc1 71405268 XBAFRWPAEFXLCU-RUZDIDTESA-N 417.574 6.178 0 40 HKAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(SC2CCCCC2)nc1 72217271 VNPJUHGGPRDQGA-JOCHJYFZSA-N 410.583 6.370 0 40 HKAB Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCN(Cc3c(C)nn(C(C)C)c3C)C2)n1 72374809 ZZKVGBNZZRTVJR-HSZRJFAPSA-N 420.576 5.504 0 40 HKAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4cscn4)C3)c(-c3ccncc3)c2c1 72396632 OMOXHYWXGFJGBL-KRWDZBQOSA-N 402.523 5.015 0 40 HKAB Cn1ccnc1[C@@H](Nc1cc(C(F)(F)F)nc2ccccc12)c1ccc(Cl)cc1 89761339 WQKMESGAMDVGRQ-IBGZPJMESA-N 416.834 5.842 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 103718409 QCRBXKMXICFPEF-SECBINFHSA-N 418.107 5.292 0 40 HKAB CCOC(=O)c1c(NC(=O)Cc2ccc(-c3ccccc3)cc2)sc2c1CCCC2 105446499 CUTVEDNCLDRGHO-UHFFFAOYSA-N 419.546 5.652 0 40 HKAB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1 107023647 BIGRNDLWHOTTFL-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1OC 216388946 GLHXWLOKVGPTPR-QHCPKHFHSA-N 421.537 5.154 0 40 HKAB CC[C@H](NC(=O)[C@@H](CC)Oc1cccc2ccccc12)c1ccc(OC)c(OC)c1 219340904 LUZXSZNJCFGVCM-LEWJYISDSA-N 407.510 5.282 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C(=O)OC)ccc1Cl 222923109 REFVNMVPKVRLTR-LJQANCHMSA-N 403.906 5.220 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)NCCOc1ccc2ccccc2c1 223642574 VYIMVWMDCPHCND-UHFFFAOYSA-N 403.906 5.061 0 40 HKAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)ccc1Cl 223771720 IXLLMUIYKSHSCM-OAHLLOKOSA-N 403.906 5.355 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccccc1C 224383961 HCXCSOKOBSTWGG-NRPPHEFGSA-N 418.562 5.403 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1cccc(Cl)c1 224490021 TYMOLVSJXOCOCY-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COCc1ccccc1 224752605 RZDJNEAGZOXOOY-UHFFFAOYSA-N 403.522 5.980 0 40 HKAB O=C(CSCc1ccc(Br)cc1)Nc1ccc(OC(F)(F)F)cc1 224856180 QRDWGCHUROQHBP-UHFFFAOYSA-N 420.250 5.220 0 40 HKAB C[C@@H](NC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 226980020 JJHGYKITNHLJFA-PQWOHEJRSA-N 420.435 5.441 0 40 HKAB CCC1(CC)C[C@H](NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c2ccccc2O1 260810766 JYZQIPSFXPXTNJ-REWPJTCUSA-N 424.560 5.237 0 40 HKAB O=C(Nc1ccccc1C(=O)N1CCCCC1)/C(=C/c1ccccc1)c1ccccc1 408563745 PBGHXNFRILXFTR-HIXSDJFHSA-N 410.517 5.492 0 40 HKAB Cc1nnc(S/C(=C\c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)C(=O)O)o1 408632058 JJLSTPYGRNOBRE-JAIQZWGSSA-N 423.469 5.046 0 40 HKAB Cc1ccc(C(C)C)c(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 408673004 WBTJWDFSNGQMMW-CQSZACIVSA-N 406.309 5.384 0 40 HKAB Cc1cccc(C)c1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 408699244 VSIXHDNGUNGFJJ-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccc(Cl)cc2)cc1 408700093 YTSWCQXKXDVSBS-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)CC1 408707119 HAMWCTWWPRANFM-AOCRQIFASA-N 404.982 5.113 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 408779914 NNOJYJXXPDFQTK-RUZDIDTESA-N 416.546 5.330 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)c1 409147283 VMYLHZGQIIGMEZ-DHYWSWINSA-N 422.572 6.852 0 40 HKAB CCCCn1c(C)c2c(c1C)C=CC(=C/C=C/c1sc3ccccc3[n+]1C)C=C2 685944204 AFSKGJSGHJZXLG-UHFFFAOYSA-N 401.599 6.624 0 40 HKAB C/C(=C/C=C(\C)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3\C[C](O)C[C@H](O)C3)CCC[C@]12C 1560411614 QLTUVAKGIWXGKU-RCTLJZNBSA-N 413.622 6.168 0 40 HKAB Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(Br)cc4)c(C)c3)nc2c1 647231 BEICBICBUJQZGQ-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB Nc1c(C(=O)NCCc2cccc(Cl)c2)sc2nc(-c3cccs3)ccc12 660297 LPECNXSHQBEBFX-UHFFFAOYSA-N 413.955 5.233 0 40 HKAB C[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3c2C1 944102 GTPLEWHXSKNJIB-LLVKDONJSA-N 410.322 5.665 0 40 HKAB COc1cccc(Nc2nc(-c3ccc(I)cc3)cs2)c1 1057159 GLPUDWVOYFUUAF-UHFFFAOYSA-N 408.264 5.167 0 40 HKAB CC(=O)C1=NN(c2ccc(C)cc2)[C@@H](c2c[nH]c3ccccc23)N1c1ccc(F)cc1 1813813 BLOIOEJSTVAHGU-VWLOTQADSA-N 412.468 5.543 0 40 HKAB COc1ccc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)cc1OCc1cccc(C)c1 2061012 ZUZUTTMGSRNLND-BKUYFWCQSA-N 417.436 5.066 0 40 HKAB COc1ccc2c(Cl)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)sc2c1 2135215 WHLMLGOVDUJSLS-UHFFFAOYSA-N 409.894 6.608 0 40 HKAB Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3ccc(Cl)cc3Cl)ccc12 2150289 AJGHDMZFTHCZAX-UHFFFAOYSA-N 407.249 5.004 0 40 HKAB biogenic CC[C@H](C)COC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 2195640 XOHJZBXKVFCIJT-AWEZNQCLSA-N 422.916 5.071 0 40 HKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccccc2)cc1Cl 2246691 YACQTFJJORKIMI-UHFFFAOYSA-N 419.864 5.507 0 40 HKAB CCC(CC)COC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 2361366 XRZJNIJKZIXRFH-UHFFFAOYSA-N 402.498 5.057 0 40 HKAB Cc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)cc1 2380275 PVBBKXFZMTUXHP-QFIPXVFZSA-N 415.876 5.500 0 40 HKAB CCCCN(CC)c1nc(SC)nc2c1sc1nc(CCC)c3c(c12)CCC3 2404306 MPCAKPWTWVHDSS-UHFFFAOYSA-N 414.644 6.029 0 40 HKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1CCc1ccccc1 2430060 KABATOZKEXAHAP-JOCHJYFZSA-N 415.876 5.234 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccn2)c2ccccc2)c1C 2546349 UUSXKZKXEALSOB-HSZRJFAPSA-N 413.546 6.214 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccc(F)c2)N2CCCCC2)c1C 2546533 KSOHPOCEWBGZKN-QHCPKHFHSA-N 422.569 6.332 0 40 HKAB CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)cc1 2668903 VRKPPYREGYAYQJ-QFIPXVFZSA-N 410.605 7.558 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)c2cc(-c3cc(C)ccc3C)nc3ccccc23)cc1 2756458 GSCGBJJSOJIEOZ-LJQANCHMSA-N 408.545 7.284 0 40 HKAB Cc1cccc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CSC3)c1C 3008340 LOAFLZNJFKTRFI-UHFFFAOYSA-N 401.894 5.281 0 40 HKAB Cc1cccc(C)c1NC(=O)NC[C@H]1C[C@@H](NC(=O)Nc2c(C)cccc2C)C1(C)C 3171919 XTUGKZFYRKYJNY-WOJBJXKFSA-N 422.573 5.278 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)CCC(=O)c2cccs2)c2ccccc2)c1 3221768 RTFSYXIBRIUFFR-HSZRJFAPSA-N 421.518 5.251 0 40 HKAB CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(-c3ccccc3)cc2)cc1 3359700 LAGPQFAUCUYDSE-HHHXNRCGSA-N 420.512 6.523 0 40 HKAB CCC(C)(C)NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1 3360547 SVSCHOJWXHPZEZ-UHFFFAOYSA-N 404.539 5.376 0 40 HKAB Cc1cc(OCC(=O)Nc2cc(Cl)ccc2N2CCCC2)c(C(C)C)cc1Cl 3388750 IBILAWCOGLCXKG-UHFFFAOYSA-N 421.368 6.043 0 40 HKAB O=C(Nc1ccccc1)Oc1cccc([C@H]2SCC(=O)N2Cc2ccccc2)c1 4110169 VBBUXZZKHRRFLE-JOCHJYFZSA-N 404.491 5.072 0 40 HKAB CCc1c(C)sc2nc(-c3ccccc3C)nc(SCC(=O)NC(C)(C)C)c12 4968354 YCXNXMICZYRQNL-UHFFFAOYSA-N 413.612 5.544 0 40 HKAB C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)c1nc2ccccc2c(=O)[nH]1 5313056 GJIRWFUGYZDWTN-AWEZNQCLSA-N 421.526 5.133 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(OC)c4)c3)nc2c1 5476801 XCFOILAEATXDKH-INIZCTEOSA-N 400.478 6.269 0 40 HKAB COc1ccccc1C(=O)Nc1nc(-c2ccc(C)c(C)c2)c(-c2ccccc2)s1 6301359 BQUSIKXQJSOECZ-UHFFFAOYSA-N 414.530 6.355 0 40 HKAB CCCCc1nc2ccc(Br)cc2c(=O)n1/N=C/C=C/c1ccccc1 6323674 LOQQXCVQOVMQKL-FCDISAAASA-N 410.315 5.049 0 40 HKAB COc1cccc(C(=O)Oc2cc(-c3ccc(Cl)cc3)c3oc(=O)sc3c2)c1 6809703 IGRUTVDFQVNRQU-UHFFFAOYSA-N 412.850 5.403 0 40 HKAB Cc1ccc(CN(Cc2ccco2)C(=O)c2oc3cc(C)c(Cl)cc3c2C)cc1 6810714 KCBBZKPRORYOCJ-UHFFFAOYSA-N 407.897 6.447 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2C)cc1 6816449 KJQJZWSJYLIEHI-UPVQGACJSA-N 404.897 5.899 0 40 HKAB C[C@@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1cccnc1 7256800 OZOZXLWNMVRFEU-OAHLLOKOSA-N 405.448 5.318 0 40 HKAB Cc1nc(COc2ccccc2C(=O)Nc2ccccc2Cc2ccccc2)cs1 7920810 INUOQNHDQOVEEX-UHFFFAOYSA-N 414.530 5.874 0 40 HKAB C[C@@H](NC(=O)CSC(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2 7982521 BTEKZBHKSVJJOF-QGZVFWFLSA-N 405.519 5.115 0 40 HKAB CCOc1cc(CNCCc2ccc(OC)c(OC)c2)ccc1OCc1ccccc1 8254639 YHSSQKSPBHDEMF-UHFFFAOYSA-N 421.537 5.014 0 40 HKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc2c(s1)CCCCC2 8303293 HTDOJGGEMWITGE-UHFFFAOYSA-N 411.354 5.035 0 40 HKAB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Cl)cc2)c2ccccc2F)cc1 8475339 IOAZHMAIFZWGIG-JOCHJYFZSA-N 416.901 5.576 0 40 HKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)oc3ccccc34)CC2=O)cc1Cl 8475425 DMNUNXMMYSLFNY-OAHLLOKOSA-N 418.880 5.539 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CN1c1cccc(Cl)c1 8755062 RWDSSDXRAFEYHH-QGZVFWFLSA-N 419.887 5.398 0 40 HKAB CC(C)Cc1ccc([C@@H](C)c2nnc(NC(=O)C34CC5CC(CC(C5)C3)C4)s2)cc1 8782718 QZNUUOBVPHIGSO-BYRKXKEESA-N 423.626 6.043 0 40 HKAB CCOc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(F)c(Cl)c4)c3c2c1 9675881 LDNYYSINDSWLPO-UHFFFAOYSA-N 417.871 6.432 0 40 HKAB COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(Cl)cc23)cc1 9675974 WFMMCVJDKFEOHG-UHFFFAOYSA-N 420.299 6.556 0 40 HKAB CCCCc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)cc1 10314928 ZKCHECDYSUNZFM-UHFFFAOYSA-N 408.523 5.082 0 40 HKAB O=C1C[C@@H](c2ccc(Cl)cc2Cl)c2sc(C(=O)O)c(-c3ccccc3)c2N1 12376928 GESMDJDVTHXIOR-ZDUSSCGKSA-N 418.301 5.894 0 40 HKAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)Nc1ccc(Cl)c(Cl)c1 12600406 ZLCWOFOQKDXWBO-UHFFFAOYSA-N 403.294 6.014 0 40 HKAB Clc1cccc(Cl)c1COc1nnc(-c2cccs2)c(-c2cccs2)n1 12624395 XKSRBQMMKISOKY-UHFFFAOYSA-N 420.346 6.214 0 40 HKAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(SCc2cscn2)cc1 12792498 DITWGINYJCZWLD-UHFFFAOYSA-N 411.577 5.317 0 40 HKAB FC(F)(F)c1cc(-c2cccs2)nc(Sc2ccc(Br)cc2)n1 12847602 ZOFSNFNPGIAMII-UHFFFAOYSA-N 417.275 6.138 0 40 HKAB Cc1nc(-c2ccc(OCC(=O)Nc3ccccc3Sc3ccccc3)cc2)no1 12983364 DGMFFBCVGUSZFL-UHFFFAOYSA-N 417.490 5.214 0 40 HKAB O=C1c2ccccc2[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1C1CCCCC1 13942340 YLDSOIMEBCUVJL-MHZLTWQESA-N 406.529 6.713 0 40 HKAB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cc(C)ccc2C)o1 16033508 NIMCOMNKDCCMBJ-RHSMWYFYSA-N 405.564 5.591 0 40 HKAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OCCC(C)C)c1 16751240 YYPFZAXAVVTSLU-JOCHJYFZSA-N 405.494 5.173 0 40 HKAB CC(C)Oc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)c1 17090099 HZKRAKPZNPQXTR-OAHLLOKOSA-N 414.571 5.038 0 40 HKAB C[C@@H]1CC(=O)c2c(Nc3cc(Cl)cc(Cl)c3)nn(-c3ccc(F)cc3)c2C1 20796636 WUBRMXVQXQJSHE-NSHDSACASA-N 404.272 5.827 0 40 HKAB COc1ccc(Cn2c(-c3ccc(-c4ccccc4)cc3)nc3ccccc3c2=O)cc1 20799224 LYTUUWVABOQQBF-UHFFFAOYSA-N 418.496 5.787 0 40 HKAB COc1cc(CN(C(=O)/C=C/c2ccccc2Cl)C2CC2)ccc1OC(F)F 21600276 HVLISFZPPQOIMQ-YRNVUSSQSA-N 407.844 5.154 0 40 HKAB Cc1cccn2cc(COc3cccc(C(=O)Nc4ccc(F)cc4Cl)c3)nc12 22475147 QJJUIVBNWHRLQW-UHFFFAOYSA-N 409.848 5.267 0 40 HKAB CCc1ccc(-c2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1 24167816 LYGRNNUQNWCKNI-UHFFFAOYSA-N 403.301 5.037 0 40 HKAB CC(C)CC(=O)Nc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 24837211 YJZZFSGZBFEPPF-UHFFFAOYSA-N 400.478 5.548 0 40 HKAB Cc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2cccc(C)c2C)cc1 27795411 FHJHDOOCNILEIL-HHHXNRCGSA-N 412.533 5.720 0 40 HKAB CCOc1ccc(C(=O)N(Cc2cccs2)c2cccc(C(F)(F)F)c2)cc1 28287225 RBBWSFKZMFSRJA-UHFFFAOYSA-N 405.441 6.013 0 40 HKAB CCOc1cc(C(=O)N2CCC[C@@H]2c2ccccc2)ccc1OCc1cccnc1 32462120 DUSYWRFXKDHJNT-JOCHJYFZSA-N 402.494 5.037 0 40 HKAB CCCCOc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)on2)c2cccnc12 32622543 PAEDIINMFNHXBI-UHFFFAOYSA-N 417.465 5.330 0 40 HKAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccc2)c1 32741068 BVBJKDXGTNEXGD-VWLOTQADSA-N 415.533 5.590 0 40 HKAB COc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c3c2C[C@@H](C)CC3)cc1 35325600 XQISGFAUEYPIAV-HNNXBMFYSA-N 403.913 5.850 0 40 HKAB COc1ccc(C)cc1-c1csc(NC(=O)c2cc(-c3cccc(F)c3)no2)n1 36760344 ZLWAQEHTEFXABU-UHFFFAOYSA-N 409.442 5.174 0 40 HKAB CCc1ccc(N(C(C)=O)c2nc(CSc3nnc(C(C)(C)C)o3)cs2)cc1 42568791 UWGVUCYFASREQG-UHFFFAOYSA-N 416.572 5.363 0 40 HKAB C[C@H]1CN(Cc2ccc(C(=O)Nc3ccccc3-c3cccs3)cc2)C[C@@H](C)O1 46435209 DXQLGKZXOVYVCU-HDICACEKSA-N 406.551 5.277 0 40 HKAB CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(Cl)cc1Cl 60102361 RNCJNSHQFJPLOM-UHFFFAOYSA-N 405.203 5.152 0 40 HKAB CCCC[C@H](O)c1cc(=O)oc2c(C(=O)CC(C)C)c(O)c(CC=C(C)C)c(O)c12 66124250 KDXSRMVJFBSRCC-KRWDZBQOSA-N 416.514 5.165 0 40 HKAB biogenic,in-vitro Cc1ccc([C@@H]2[C@@H](C)CCCN2C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)cc1 89632131 YQYRVZFUJAFNQX-CVDCTZTESA-N 407.558 5.386 0 40 HKAB CC[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1)c1c(C)noc1C 89947784 PJQWJFODAOLONK-QFIPXVFZSA-N 414.509 5.084 0 40 HKAB C[C@H]1C[C@]2(C)Oc3ccccc3[C@H]3OC[C@@]1(COC(=O)Nc1ccccc1)[C@@H](C)[C@H]32 100428148 UONFBIWUOHBYQS-PJZHDKRRSA-N 407.510 5.436 0 40 HKAB Cc1ccc([C@]23Oc4ccccc4[C@H](c4ccc(F)cc4)[C@]2(C)C3(Cl)Cl)cc1 103009649 WMVAPGMEZFZUIW-VABKMULXSA-N 413.319 6.748 0 40 HKAB CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@H]1c1ccc(C)cc1 103870951 GFEQZSLMROSYSP-RBISFHTESA-N 422.528 6.565 0 40 HKAB O=C1/C(=C\Nc2ccccc2Cl)c2ccccc2C(=O)N1c1cccc(Cl)c1 104730061 FVUAGTHAMCELLK-AQTBWJFISA-N 409.272 5.633 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)/C=C/c3ccc(F)cc3)c2)cc1 215822741 NZEJBEFEWLQXIE-CXUHLZMHSA-N 416.496 6.027 0 40 HKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 222981416 DFQWRJXYXCPCND-RTWAWAEBSA-N 411.958 5.768 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccccc1Cl 224134873 OXXFUODFGIXUMD-UHFFFAOYSA-N 420.267 5.972 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccccc1OC 224583791 OABVRKAYBZYJJI-QGZVFWFLSA-N 423.484 5.303 0 40 HKAB Cc1ccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@H](C)C(=O)NC2CCCCC2)cc1 224749530 QRKRDTDSPNLMFP-JOCHJYFZSA-N 420.597 5.021 0 40 HKAB S=C(NCCSCc1ccccc1)Nc1ccc(CSc2ccccc2)cc1 225289671 IWTIIYQGASMAAB-UHFFFAOYSA-N 424.660 6.199 0 40 HKAB FC(F)(F)c1cccc(NC(=S)NCCSCc2ccccc2Cl)c1 225295795 VMIPMHTZSRGKFD-UHFFFAOYSA-N 404.910 5.579 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccc(F)cc2)CCCCC1 225547469 DEBKVHUTFCPAQM-UHFFFAOYSA-N 403.497 6.245 0 40 HKAB Fc1ccc(CCCNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225547599 WIMCLWACVOTRAY-UHFFFAOYSA-N 401.732 5.161 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccccc2Cl)CCOCC1 225576012 UBEWFWUIMLBAAL-UHFFFAOYSA-N 421.924 5.606 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(C(F)(F)F)c1 225685977 SUSIHJLBGWFOFU-MRXNPFEDSA-N 410.461 5.303 0 40 HKAB CCc1cc(Br)cc(CC)c1NC(=O)c1ccc(Cl)cc1Cl 226093322 KQHINQNEJNZBMY-UHFFFAOYSA-N 401.131 6.133 0 40 HKAB COC(=O)c1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 247847736 QEBJONZHHABPSV-BBTQSVATSA-N 402.321 6.077 0 40 HKAB O=C1N(Cc2ccccn2)[C@H]2CC[C@@H](c3ccc(F)cc3)[C@H]2N1c1ccc(F)cc1 257242628 IDJTUYCVPLRGOX-RJGXRXQPSA-N 405.448 5.117 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1OC 408619532 IWKCWOYXWKPHIC-UHFFFAOYSA-N 405.494 6.227 0 40 HKAB CCOc1ccc(-c2nc(Nc3cccc(Cl)c3Cl)sc2CC(=O)O)cc1 408884398 WZQYBQMEBUCDGL-UHFFFAOYSA-N 423.321 5.886 0 40 HKAB Cc1ccc(Cl)cc1NCc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 409110043 QDERMYULTGWKRC-UHFFFAOYSA-N 424.730 7.285 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccccc1Cl 409152323 AVHZFRYEFGMUQH-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB Cc1cc2c(cc1-c1cnc3nc(-c4ccccc4Cl)nn3c1)[C@@H](C)CC(C)(C)N2 575473185 LILNRPRGIPMMTC-HNNXBMFYSA-N 417.944 6.118 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ccccn3)cs2)cc1 585268761 DVKFENWHUYXDTD-NRFANRHFSA-N 420.582 5.425 0 40 HKAB CCOc1ccccc1Oc1coc2cc(OC(=O)c3ccc(F)cc3)ccc2c1=O 1448175 KPYAIOXTEBPVMB-UHFFFAOYSA-N 420.392 5.342 0 40 HKAB biogenic O=C1C(Cl)=C(Nc2ccc(Cl)c(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 1786153 ZIIXMLMKVKTRIR-UHFFFAOYSA-N 416.091 5.078 0 40 HKAB C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1cc(Cl)ccc1Cl 2061712 AGKGJIAYAXLRSG-ZETCQYMHSA-N 413.515 6.360 0 40 HKAB CCn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2085592 LTBLRTDDAUDWDY-UHFFFAOYSA-N 402.563 5.590 0 40 HKAB CCCSc1nc(NCc2ccccc2)c2c3c(sc2n1)CO[C@](C)(CC)C3 2369400 XAJKQKZQADCJEZ-JOCHJYFZSA-N 413.612 6.047 0 40 HKAB CCN(CC)Cc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 2419166 QLJKULLHBGHQDQ-UHFFFAOYSA-N 407.366 6.302 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCCCC2 2750198 HNBKTMVOUZPMQX-UHFFFAOYSA-N 411.445 5.465 0 40 HKAB Clc1ccc(-c2nc3ccccc3n2OCc2c(Cl)cccc2Cl)cc1 3052866 ISQGQDUPOBXKEM-UHFFFAOYSA-N 403.696 6.292 0 40 HKAB COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1Cl 3215166 QYYPFMLJWWEYMP-UHFFFAOYSA-N 417.896 5.762 0 40 HKAB O=C(CCSc1ccc(Cl)cc1)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 3338927 WFEAZNRBMFNZFK-UHFFFAOYSA-N 422.933 5.820 0 40 HKAB CC(=O)[C@@H](C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)C(c1ccccc1)c1ccccc1 3846275 PBSTWIYTCPQRBP-ZPOKTZCFSA-N 406.566 6.028 0 40 HKAB Cc1cc(C)c(COc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)c(C)c1 4091737 HWIORORKRNNJSV-UHFFFAOYSA-N 419.874 6.849 0 40 HKAB Cc1ccc(C(=O)N2c3ccccc3N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 4199056 YDDIEUHUFWSALF-MUUNZHRXSA-N 416.524 6.908 0 40 HKAB O=c1c(-c2ccc3ccccc3c2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccccc2)C1 4237283 VLLARFPTOOWKAT-SQJMNOBHSA-N 406.529 5.288 0 40 HKAB biogenic,in-vitro Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3-c3ccccc3)c2c1 4349552 RBJMEOOEHSZQPM-UHFFFAOYSA-N 414.508 7.130 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)cc1C 4553950 QUZBJBQLSLBEEH-UHFFFAOYSA-N 400.909 6.733 0 40 HKAB CCCCCc1ccc(OCCCC[n+]2ccc3c(c2)ncn3C)c(CCCCC)c1 4730240 REUPPHCIJKGHFS-UHFFFAOYSA-N 422.637 6.185 0 40 HKAB Cc1cc2n(n1)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)Nc1ccccc1-2 4749736 IZVDCUOUIWTAAM-AREMUKBSSA-N 403.489 5.684 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)cc2)cc1 5174278 XDXHLNOZUHROHB-UHFFFAOYSA-N 406.913 6.142 0 40 HKAB COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)c1 5217033 GLHGQZPOQWRWTJ-ZTCOLXNVSA-N 415.961 5.226 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)Cc3ccc(Br)cc3)ccc21 5934409 XOOBUJUQHBDFRZ-UHFFFAOYSA-N 407.311 5.758 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(C(C)C)cc4)ccc3o2)cc1C 6033453 NDKDWLJETGDNBY-UHFFFAOYSA-N 414.505 6.253 0 40 HKAB CC(C)Oc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1Cl 6345877 ULBUWISJHURGFU-VXLYETTFSA-N 412.898 5.235 0 40 HKAB O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1cccc(F)c1 6615822 SCLNUYMTJTZRJX-UHFFFAOYSA-N 407.495 5.229 0 40 HKAB Cc1cccc(-c2nnc(S[C@H](c3ccccc3)c3ccc(Cl)cc3)n2C)c1 6862439 CPIHNVMZKAJGIX-OAQYLSRUSA-N 405.954 6.326 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1 7072916 KQFLNXGBCUUILR-QGZVFWFLSA-N 414.505 6.334 0 40 HKAB CC[C@@H](OC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)C(=O)c1ccccc1 8040425 QJGZXYPVYWEOIT-OAQYLSRUSA-N 412.445 5.222 0 40 HKAB C[C@@H](NC(=O)CSc1nnc(C2CC2)n1C1CC1)c1ccc(-c2ccccc2)cc1 8314687 SRLYSJLROLRCKU-MRXNPFEDSA-N 418.566 5.127 0 40 HKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1sc(C)nc1C 8717898 LUARSMSIQBDTQP-UHFFFAOYSA-N 420.943 5.571 0 40 HKAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(Oc2ccccc2)c1 8727867 KMKSHVXTAMKUIA-UHFFFAOYSA-N 400.478 5.357 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(S[C@H]3CCC(=O)C3)n2Cc2ccccc2)cc1 9218480 KEOINHVYAKNNLW-NRFANRHFSA-N 405.567 5.505 0 40 HKAB Cc1cc(C)c2nc(N(Cc3ccccn3)C(=O)c3ccc4ccccc4c3)sc2c1 9402500 UFMXCJHXTASVBW-UHFFFAOYSA-N 423.541 6.308 0 40 HKAB O=C(Nc1ccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)cc1)c1ccccc1 9464463 WFZFVSCYNYDEEI-UHFFFAOYSA-N 417.465 5.454 0 40 HKAB O=C(COc1cc(Cl)ccc1Cl)N1CC=C(c2c[nH]c3ccccc23)CC1 11075956 BBUSTRJUCYGHGH-UHFFFAOYSA-N 401.293 5.169 0 40 HKAB O=C(CSc1nccn1Cc1ccccc1)Nc1ccccc1Cc1ccccc1 12530915 NFSFURVUMXTVRY-UHFFFAOYSA-N 413.546 5.253 0 40 HKAB Cc1c(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)oc2ccc(Cl)cc12 12679566 ULZVGGPJMIHLCO-LBPRGKRZSA-N 403.935 5.335 0 40 HKAB COCc1c(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)sc2cccc(F)c12 13006955 BEHLWPTUPJRFBE-UHFFFAOYSA-N 412.313 5.766 0 40 HKAB Cc1ccc2cc(CN(C(=O)c3cccs3)c3ccc(C)c(C)c3)c(=O)[nH]c2c1 13769051 DJEVORJWNPYBCU-UHFFFAOYSA-N 402.519 5.362 0 40 HKAB Cc1cc(C)cc(-c2nnc(S[C@H](C(=O)N3CCCCC3)c3ccccc3)o2)c1 14071410 UGGCNDWQTUPXHB-FQEVSTJZSA-N 407.539 5.199 0 40 HKAB O[C@H](CN[C@@H](c1ccc(F)cc1)c1cccs1)CO[C@@H]1CCCc2ccccc21 14237843 GPFNJXKIGXNQPX-BKULYWANSA-N 411.542 5.021 0 40 HKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C(C)C)cc2)cc1 14909661 JSUZIUHJJDLYKP-UHFFFAOYSA-N 422.550 5.196 0 40 HKAB Fc1ccc(-c2cs/c(=N\c3ccc(OC(F)F)cc3)n2C2CCCC2)cc1 15910623 QIQFFWLQFJTYDN-DAFNUICNSA-N 404.457 6.305 0 40 HKAB CCCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1 16751088 KDODJVQSFDNXKV-QHCPKHFHSA-N 419.521 5.707 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cccc2c(Cl)cccc12 17090873 CFNVOLNNLNYFIC-UHFFFAOYSA-N 416.839 6.693 0 40 HKAB c1ccc(Cn2c(SCc3cc(-c4ccco4)on3)nnc2-c2cccs2)cc1 18352711 DBPUBSPBMYYFQT-UHFFFAOYSA-N 420.519 5.595 0 40 HKAB CC(C)c1ccc(OCc2cc([C@@H]3CCN(Cc4cnc(C(C)C)nc4)C3)n[nH]2)cc1 19704367 FCIHQNIXGYMWGB-OAQYLSRUSA-N 419.573 5.015 0 40 HKAB Cc1ncc(C(=O)Nc2ccccc2)c([C@@H]2CCCCN2Cc2ccccc2Cl)n1 19766957 JUUDRLXTGJNWEG-QFIPXVFZSA-N 420.944 5.418 0 40 HKAB C[C@H]1CC(=O)c2c(Nc3ccc(Cl)c(Cl)c3)nn(-c3ccc(F)cc3)c2C1 20796624 NMGBBGXNMLCGRG-LLVKDONJSA-N 404.272 5.827 0 40 HKAB COc1ccc([C@H]2N=C(c3ccc(Cl)cc3)[C@H]3[C@@H](c4ccccc4)N23)cc1OC 25586365 NFGMDTLOCXECTL-XECNEKFKSA-N 404.897 5.284 0 40 HKAB O=C(Nc1ncc(Cl)cc1Cl)c1ccc(COc2ccc3c(c2)CCC3)o1 27983179 KCVVEXBBWUAEDA-UHFFFAOYSA-N 403.265 5.301 0 40 HKAB CCn1c(SCc2ccc(OC)cc2)nnc1-c1ccc(Br)cc1 32611792 PCHUBPXOUQADRI-UHFFFAOYSA-N 404.333 5.028 0 40 HKAB CCn1c(COc2ccc3ccccc3c2C)nnc1SCc1ccc(Cl)cc1 33595338 YQIVOQLORPHHOL-UHFFFAOYSA-N 423.969 6.284 0 40 HKAB Cc1csc(N(C(=O)CSCc2coc(-c3ccccc3)n2)c2ccccc2)n1 40140448 MWGQBVNIRUHOEG-UHFFFAOYSA-N 421.547 5.705 0 40 HKAB C[C@@]12CC3CC(NC(=O)c4sc5cc(Cl)ccc5c4Cl)(C1)C[C@](C)(C3)C2 41107620 FRHBPEYZUKNHLN-JHOYHXADSA-N 408.394 6.687 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1cccc(Cl)c1 44849659 KAYPXDJHVAAROM-JOCHJYFZSA-N 413.970 5.700 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](c1ccccc1)c1ccccc1C 44900109 WBFXLSMSJLXXRF-RRPNLBNLSA-N 409.529 6.211 0 40 HKAB COc1cc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c(OC)cc1Cl 44900644 ISARIGFZDYNMOV-UHFFFAOYSA-N 422.912 5.172 0 40 HKAB Cc1ccc(NC(=O)c2n[nH]nc2Nc2ccc(Oc3ccccc3)cc2)cc1Cl 57510706 QQSWWRDFHCCQLT-UHFFFAOYSA-N 419.872 5.555 0 40 HKAB COc1ccc([C@@H](C)NC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1F 58159952 FMDUXXZRWHJJKM-OAHLLOKOSA-N 422.460 5.361 0 40 HKAB O=c1c2ccccc2nc(SCc2cccc(C(F)(F)F)c2)n1C1CCCC1 59094292 JREFXVJSIIYIPB-UHFFFAOYSA-N 404.457 5.823 0 40 HKAB O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)NCCCc1nccs1 69387023 WXKPCEIGDPAGKR-NRFANRHFSA-N 416.999 5.368 0 40 HKAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ncc(-c2ccc(C)cc2)o1 71844273 PQVPJOHMLZMOHU-XZOQPEGZSA-N 402.538 5.767 0 40 HKAB C[C@H](Oc1ccc(F)cc1)c1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1 71889860 SZHFTUBUJHSJNJ-AWEZNQCLSA-N 402.853 5.099 0 40 HKAB Cc1nc(CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)oc1C 72014586 QRSZPDIXKHGXLR-UHFFFAOYSA-N 417.456 6.001 0 40 HKAB COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)cc1 72349028 QVTBOAAGHKUYKP-JOCHJYFZSA-N 400.522 5.096 0 40 HKAB Cc1cc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Br 98073092 VZJGRRZIKRZCKY-UHFFFAOYSA-N 407.617 6.074 0 40 HKAB CC1(C)CC(=C2[C@H]3C=C[C@H]2[C@@H]2C(=C4CC(C)(C)NC(C)(C)C4)C=C[C@@H]32)CC(C)(C)N1 100476704 JWTSWIHDBSKTDE-ZPFZUWPUSA-N 406.658 6.079 0 40 HKAB CCCCn1c(-c2ccc(OC)c(Br)c2)cs/c1=N/c1ccccc1 102678210 WIQCSRRTTXIIAG-LSDHQDQOSA-N 417.372 6.020 0 40 HKAB CCOc1cccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c1 106723003 AYKXGGSOXKTDIN-BOPFTXTBSA-N 418.312 5.084 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc2)cc1 107994143 ZBLSMCSKZVKGDP-UHFFFAOYSA-N 406.334 5.697 0 40 HKAB CC1CCN(c2ccc(C(=O)Nc3ccc(OCc4ccccc4F)cc3)cc2)CC1 141538912 ZPWVUVZYCBJFTI-UHFFFAOYSA-N 418.512 5.893 0 40 HKAB O=C(c1ccccc1Br)N1CCS[C@H](c2ccccc2Cl)CC1 208046018 ZJUIKGWDMUNECS-KRWDZBQOSA-N 410.764 5.423 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 219387796 BHASRBBGJLXPTO-UYAOXDASSA-N 419.974 5.638 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc4ccccc4c3)N21 222710692 CKVQKPLVCNPPOJ-NIJXNBFTSA-N 424.573 6.005 0 40 HKAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222759391 KPMSJYAXKWNNPU-ROUUACIJSA-N 404.322 5.251 0 40 HKAB CC[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCCC2 223077181 FCYGBWFVRYWSAJ-HXUWFJFHSA-N 412.382 5.443 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)CCSc2ccc(Cl)cc2)cc1C(C)C 223269654 FCNZDBDAZCHFOE-MRXNPFEDSA-N 405.991 6.140 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccccc1C(C)(C)C 223732736 JJLBXRJBAUIYMW-QFIPXVFZSA-N 411.586 5.634 0 40 HKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 224187405 CDNQDTAMACREIV-SFHVURJKSA-N 413.568 5.243 0 40 HKAB COc1ccc(OCc2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2OC)cc1 224265464 BBTRJWRCSXIMFG-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB COc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1COCC(C)C 224452279 UINVBIWPXQFMLW-UHFFFAOYSA-N 417.549 5.710 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)NCc1ccc(CN2CCCCC2)cc1 224534512 FZRPLUMKTKSQHR-UHFFFAOYSA-N 417.018 5.515 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1CSc1ccccc1 224657269 GLVQCBDYLBFZDZ-UHFFFAOYSA-N 420.534 5.588 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)cc1)c1ccccc1 225462939 ISEXCBWMZXQDJA-OAHLLOKOSA-N 409.942 5.640 0 40 HKAB Cc1ccc(SCCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225587445 KBMFZUDYAWKASS-UHFFFAOYSA-N 418.937 6.136 0 40 HKAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(C)c(N3CCCC3=O)c1)CC(C)(C)O2 225676004 BLGTYYGWHKUEQJ-LJQANCHMSA-N 423.582 5.019 0 40 HKAB CC(C)(C)c1ccc2c(c1)[C@@H]1O[C@H](CCc3ccccc3)[C@@H](C(=O)O)C[C@H]1C(C)(C)O2 257218657 DDZSSDXWNXAKMD-NXYDZRKXSA-N 422.565 5.935 0 40 HKAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)cc1Cl 408556222 HDLSVORZMIPMBS-UHFFFAOYSA-N 415.125 5.500 0 40 HKAB O=C(NCc1ccc(Cl)cc1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408625950 YUXDAHYGVFBAAP-UHFFFAOYSA-N 423.299 5.412 0 40 HKAB COc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3)n2)cc1 408695819 SRHDOXQFJHHBMO-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB CC1CCN(C(=O)c2ccc3nc(-c4cccs4)c(-c4cccs4)nc3c2)CC1 408975339 AMDCKDIPJVQOHF-UHFFFAOYSA-N 419.575 5.959 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)ccc1OCc1ccccc1 409009708 BMPXXFAFJKFTCG-ZFMLPXDISA-N 411.523 5.499 0 40 HKAB COc1ccccc1C(=O)/N=c1\sc(-c2ccccc2)c(-c2ccccc2)n1C 409193071 BBRXMNMNNWZJHZ-IZHYLOQSSA-N 400.503 5.170 0 40 HKAB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc(Cl)cc1 409195726 KMAIIHVPKBPEGP-BZZOAKBMSA-N 404.922 5.815 0 40 HKAB CCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O 409228825 FRQAVHXXCLAWIB-VCHYOVAHSA-N 422.333 6.019 0 40 HKAB CCOc1cccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)c1 409340563 ZIMRPERRRGYTTN-BOPFTXTBSA-N 418.312 5.084 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 409375322 JCEQGBVFECXPQP-UHFFFAOYSA-N 422.956 6.149 0 40 HKAB CC(C)C[C@H](C(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC(C)C)n1cccc1 575443072 GJLLYKUCXPQLIK-DHIUTWEWSA-N 406.574 5.445 0 40 HKAB CC(C)(C)c1ccc(CC(C2=N[C@@H](C(C)(C)C)CO2)C2=N[C@@H](C(C)(C)C)CO2)cc1 1857775643 LCNSTQCOPQVFOE-NHCUHLMSSA-N 412.618 5.830 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCc1ccccc1-2 1795664 MHHKIZQIOJHGEG-UHFFFAOYSA-N 411.910 5.596 0 40 HKAB aggregator Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(C)c5ccccc45)c(C)c3)nc2c1 2052027 OSWMFFLITZGVFN-UHFFFAOYSA-N 406.485 6.826 0 40 HKAB CC(C)[C@@H]1Cc2c(sc3nc(SCc4ccccc4Cl)nc(N)c23)CO1 2233716 ZZYYXIKLCGHOPR-AWEZNQCLSA-N 405.976 5.317 0 40 HKAB Cc1ccc(Sc2c(-c3ccc(Cl)cc3)nc3ccccc3c2C(=O)O)cc1 2576530 CGTRXRGZRHWIAT-UHFFFAOYSA-N 405.906 6.713 0 40 HKAB CCCOc1ccc(-c2csc(NC(=O)CCc3ccccc3)c2C(=O)OC)cc1 2889645 GSDSEHXIATVDRV-UHFFFAOYSA-N 423.534 5.562 0 40 HKAB Cc1ccc(C(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)cc1 3202813 YIPGLKVDWWGQCB-UHFFFAOYSA-N 404.560 6.025 0 40 HKAB FC(F)(F)c1ccc2c(c1)[n+](Cc1ccc(Cl)c(Cl)c1)c1n2CCCCC1 3270650 FMHLXXMPDOSOKF-UHFFFAOYSA-N 414.278 6.029 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2oc3ccccc3c2C)cc1 3655341 AOQMRAQIHAVBFB-UHFFFAOYSA-N 409.441 6.279 0 40 HKAB CCn1cc(CC[C@H](C)NC(=O)N(c2ccccc2)c2ccccc2)c2ccccc21 3765576 JNTGBVQLTZCVGS-NRFANRHFSA-N 411.549 6.530 0 40 HKAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1cc(Cl)ccc1Cl 4305564 QKLNAZQFMGLXHR-IBGZPJMESA-N 417.361 5.589 0 40 HKAB CC1C[C@H](C)N(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)[C@H](C)C1 4614578 FAEDTXFSFBXMCZ-ATHZHXLRSA-N 420.479 5.193 0 40 HKAB COC(=O)c1c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 4628759 GECDKZDSKUMLSP-NXHRZFHOSA-N 411.567 5.428 0 40 HKAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(C)cc2)n2c(nc3ccccc32)N1 4731518 KNKWVRFITFPPOT-XMMPIXPASA-N 408.505 5.581 0 40 HKAB CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2C1 4881313 FAXOMHJTYOINFD-JTQLQIEISA-N 400.828 5.750 0 40 HKAB CCCCn1c(SCCC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 4889296 YGIPBTSJIHSWHG-UHFFFAOYSA-N 424.654 6.607 0 40 HKAB Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)cc1 4910888 HIXVOXICZGNZHJ-DEQUOLNYSA-N 412.508 6.423 0 40 HKAB O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccc2ccccc2c1 6188382 IVISWOVSJYHSBY-UHFFFAOYSA-N 409.514 5.910 0 40 HKAB CC(C)COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)c2ccccc12 6563758 KMLQMCXBTHFXAA-UHFFFAOYSA-N 418.562 6.109 0 40 HKAB COc1ccc(OC)c2c1[C@@H]1CCCC[C@@H]1O[C@@H]2c1ccc(Br)cc1 6668310 XUCXXQOFQMYVJS-VWKPWSFCSA-N 403.316 5.612 0 40 HKAB Cc1cccc(OCC(=O)Oc2cc(-c3ccccc3)c3oc(=O)sc3c2)c1C 6809654 CFPHMTCMWJDZNJ-UHFFFAOYSA-N 406.459 5.123 0 40 HKAB COc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S1 7276525 NVXATMMQJAXRGM-UNOMPAQXSA-N 410.882 5.691 0 40 HKAB Cc1cccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)c1 7929065 NSWMXBZQQRGDMW-HXUWFJFHSA-N 413.517 5.279 0 40 HKAB O=C(Oc1ccccc1-c1ccccc1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 7929108 ZFDWABCCMAZRAU-NRFANRHFSA-N 407.469 5.465 0 40 HKAB CCN(CC)CCOC(=O)c1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1 8783323 XUZDNDCWDBUHKM-UHFFFAOYSA-N 418.537 5.023 0 40 HKAB CCN1C(=O)c2cc(NC(=O)c3c(F)cccc3Cl)ccc2Oc2ccccc21 9134630 MPJCGMULQCXLCD-UHFFFAOYSA-N 410.832 5.504 0 40 HKAB CCOc1ccc(C(C)=O)cc1Cn1cnc2scc(-c3ccc(C)s3)c2c1=O 9618746 OEUGVPDBDFILMS-UHFFFAOYSA-N 424.547 5.145 0 40 HKAB Cc1c(Cl)c(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)nc2ccccc12 9669768 ZRUGIGUVLHDYMN-UHFFFAOYSA-N 422.743 5.574 0 40 HKAB CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(OC)c(OC)c4)n3)oc12 10749625 WCDRHTNTBXGKBJ-UHFFFAOYSA-N 424.478 5.225 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1c(-c2ccc(Cl)cc2)cn2ccccc12 12360587 LTSYDZVPXQBYHC-UHFFFAOYSA-N 415.707 6.819 0 40 HKAB COc1cccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccc(C)c(C)c3)n2)c1 12442096 PDXMNNHIBMKKHA-UHFFFAOYSA-N 418.522 5.182 0 40 HKAB Cc1nc(-c2ccc(CNC(=O)c3cc(Br)ccc3Cl)o2)cs1 12619199 FFZYPDPQHFLBOZ-UHFFFAOYSA-N 411.708 5.057 0 40 HKAB O=C(OCc1cc(-c2ccc(F)cc2)on1)C1c2ccccc2Oc2ccccc21 12726026 NWRNHDWKZJIWQG-UHFFFAOYSA-N 401.393 5.462 0 40 HKAB CC(C)c1ccc(-c2csc(NC(=O)CCc3nnc(-c4ccsc4)o3)n2)cc1 12822587 PFKPRRKHPQQTGS-UHFFFAOYSA-N 424.551 5.616 0 40 HKAB Cc1ccc(CN(C)Cc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)c(C)c1 12866309 JRMZKLXWVZCMEY-UHFFFAOYSA-N 407.514 5.040 0 40 HKAB Cc1cc(C)c(NC(=O)CN[C@@H](c2ccc(F)cc2)c2cccs2)c(Cl)c1 12910994 GAAGHUVXMCOFGS-NRFANRHFSA-N 402.922 5.475 0 40 HKAB Fc1ccc(-c2nc(CSc3nnc(NC4CCCCC4)s3)cs2)cc1 13119860 HITQGZXCOKNOEL-UHFFFAOYSA-N 406.577 5.838 0 40 HKAB CC(C)=CCc1c(O)cc2occ(-c3ccc4c(c3)C=CC(C)(C)O4)c(=O)c2c1O 14558326 CUDNUXBRPAPDBJ-UHFFFAOYSA-N 404.462 5.564 0 40 HKAB biogenic,in-vitro COc1cccc(C(=O)c2oc3cc(NC(=O)c4ccccc4Cl)ccc3c2C)c1 15729381 NVUYNGXVFRIUSZ-UHFFFAOYSA-N 419.864 5.887 0 40 HKAB biogenic COCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 16194392 FQQOXFOBZXZEKT-UHFFFAOYSA-N 419.146 5.071 0 40 HKAB CC(=O)C[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 16757832 FFDZWNGXIYUCTL-MRXNPFEDSA-N 421.953 6.201 0 40 HKAB COc1ccccc1[C@@H](C)NCc1c(C)nn(Cc2c(Cl)cccc2Cl)c1C 17314265 UXOQTVJFZFOHQJ-CQSZACIVSA-N 418.368 5.714 0 40 HKAB Cc1ccc(NC(=O)c2cnc(Nc3nc(-c4ccccc4)cs3)nc2C)cc1 19819561 JZGNQNSGMOVBFG-UHFFFAOYSA-N 401.495 5.213 0 40 HKAB CCN(CC)C(=S)Sc1c(-c2ccccc2)[nH]c2ccc(Br)cc12 20102531 PZMUBAPFHFYSNL-UHFFFAOYSA-N 419.413 6.316 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1Cl 20454499 MDXPIJOJHFACES-KRWDZBQOSA-N 412.338 5.680 0 40 HKAB O=C(NC1CCCC1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20729721 ZRYWFAXYELDUCX-HSZRJFAPSA-N 402.538 5.192 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1cc(-c2cccnc2)nc2ccccc12 21935242 ZRUWASCPSJADRZ-UHFFFAOYSA-N 404.267 5.312 0 40 HKAB Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCc4ccccc4C3)c(O)n2n1 23157242 VDSKFSFLFIVCLY-NRFANRHFSA-N 418.566 5.076 0 40 HKAB COc1ccc(-c2nc(CSCC(=O)Nc3cc(C)ccc3OC)cs2)cc1 32779061 UKUQODOMPFDTTG-UHFFFAOYSA-N 414.552 5.008 0 40 HKAB Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)cc2c1N(C)S(=O)(=O)c1ccccc1-2 33271981 FKXPJNYRTNDQQJ-UHFFFAOYSA-N 420.534 5.176 0 40 HKAB O=C(N[C@@H](CC1CCCCCC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 44321065 QLVAHIRRBVTTMP-QHCPKHFHSA-N 407.510 5.339 0 40 HKAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl 44902221 JYPQYJWTLJNAKQ-SFHVURJKSA-N 416.345 5.340 0 40 HKAB CCc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078963 YLLMJKFVWCTZLX-UHFFFAOYSA-N 402.469 5.233 0 40 HKAB CCc1cc(Br)c2oc(-c3ccc(Br)c(Cl)c3)nc2c1 57351608 MRDLLRWVAYQFRZ-UHFFFAOYSA-N 415.512 6.236 0 40 HKAB COc1cccc(Cn2c(SCc3ccc(C)c(C)c3)nc3ccccc3c2=O)c1 67258761 JNWOQLPJZWAWEF-UHFFFAOYSA-N 416.546 5.363 0 40 HKAB Cc1nc(COc2cccc(/C=C/C(=O)N(C)Cc3ccccc3Cl)c2)cs1 69350977 JTHHFEMNCFBRKZ-ZHACJKMWSA-N 412.942 5.356 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2SC(C)(C)C)cc1 72217459 IBHDTFPBCAUHPQ-LJQANCHMSA-N 404.601 5.197 0 40 HKAB CCCn1c(CNC(=O)c2ccc(Oc3ccccc3Cl)o2)nc2ccccc21 96183836 ZBTSYLVKALKBKN-UHFFFAOYSA-N 409.873 5.415 0 40 HKAB CC(C)c1ccc(NC2=C[C@@H](c3ccccc3)N(c3ccc(C(C)C)cc3)C2=O)cc1 103672146 YLHBUQIIKYYCIG-MHZLTWQESA-N 410.561 7.017 0 40 HKAB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H]1[C@@H]3CC[C@H](c4ccccc43)[C@@H]12 104282984 DALTUKWWYJSZDX-VQERLEENSA-N 420.163 5.554 0 40 HKAB O=C(CCc1ccc(C(F)(F)F)cc1)NCC1(Sc2ccccc2)CCOCC1 211071850 SNDQNHCKDGNJHO-UHFFFAOYSA-N 423.500 5.096 0 40 HKAB CC[C@H](NC(=O)c1ccc(CN2CCCc3ccccc32)cc1)c1ccc(OC)cc1 216416123 YFMBNAACLAFQFE-VWLOTQADSA-N 414.549 5.529 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1cccc(Cl)c1 223010041 WKKSUNVRUNQEFS-IBGZPJMESA-N 412.382 5.509 0 40 HKAB COc1ccc(C(=O)NC2CCCCCC2)cc1COc1cccc2ccccc12 224298642 TVKXTWSILVLLQL-UHFFFAOYSA-N 403.522 5.880 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1ccc(OC)cc1 224597563 YWLIAGLHMOCNJF-UHFFFAOYSA-N 405.494 5.488 0 40 HKAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)o2)c1 224850543 GUCLLXYZHYISJI-UHFFFAOYSA-N 424.806 5.594 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 225406589 RXSJODZFBFHLRU-ZDUSSCGKSA-N 404.963 5.472 0 40 HKAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225635420 HXGZDBWVFKWSCP-GFCCVEGCSA-N 402.869 5.421 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(Br)cc1F 225678875 KKMSGFACQZLSTM-MRXNPFEDSA-N 423.351 5.485 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c2cccnc12 225867975 DSNCHQNWKOOPJI-UHFFFAOYSA-N 406.501 6.003 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1N1[C@@H](C)CCC[C@@H]1C 226330875 XHXPFYQADVHJPD-KBPBESRZSA-N 406.357 5.904 0 40 HKAB CC(C)C(=O)N[C@@]1(C)C[C@H](c2cccc(Oc3ncccn3)c2)O[C@@H]2C[C@H](C)CC[C@H]21 257264777 LVZOEDQWRVIMRO-JWMUORBZSA-N 423.557 5.066 0 40 HKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C[C@H]3C=CCC3)CC2)on1 257314677 UYACXNGZFGXJIU-UFYCRDLUSA-N 422.573 5.310 0 40 HKAB CCCCOc1ccc(C(=O)/N=c2\sc(CC)c(-c3ccc(C)cc3)n2CC)cc1 408562328 OWYZBAWIFOQRMA-QPLCGJKRSA-N 422.594 6.027 0 40 HKAB S=C(c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)N1CCCC1 408575981 PDLKRIIWYSHZMI-UHFFFAOYSA-N 400.758 5.997 0 40 HKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(N(C)C)cc2)c1Cl 408621267 LCUCZUDFAUESGM-UHFFFAOYSA-N 401.721 5.347 0 40 HKAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1=O 408650180 ZSEIVWCOLDZPKG-HXUWFJFHSA-N 414.505 5.341 0 40 HKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 408677129 QEEWZNXQEJDIQS-UHFFFAOYSA-N 402.881 5.698 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(Cl)cc2)c1 408696555 AQGNVEKKCRWKPF-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1sc2nc(-c3c(OCc4ccccc4)ccc4ccccc34)nc(O)c2c1C 408734853 KPTXYWBMCHUPRV-UHFFFAOYSA-N 412.514 6.413 0 40 HKAB O=C(Nc1ccccc1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408772053 AIBGXEWBINWNEN-HSZRJFAPSA-N 422.937 5.367 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1ccc(CSCc2ccccc2)cc1 408782587 KQZGXKLKRDHJSH-UHFFFAOYSA-N 412.352 6.135 0 40 HKAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 408979116 LKPBYSJFYWVOMY-HXUWFJFHSA-N 413.304 5.493 0 40 HKAB Cc1cccc(-n2cccc2/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1C 409210902 LMWRTRAVYJGEEL-DEDYPNTBSA-N 408.910 5.988 0 40 HKAB O=C1S/C(=C\c2cccc(OCCOc3ccccc3)c2)C(=O)N1c1ccccc1 409353873 TXNFETLXECHCFB-XLNRJJMWSA-N 417.486 5.385 0 40 HKAB O=C1Nc2nc(cs2)[C@@H]2CCCCN2Cc2ccccc2OCc2cccc1c2 585280807 AQNMWDHBUGCMQC-FQEVSTJZSA-N 405.523 5.015 0 40 HKAB O=C(Cc1noc2ccccc12)N1CCCCCCCc2ccccc2OCCC1 643583800 AIECQZWSQUFWAF-UHFFFAOYSA-N 406.526 5.175 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2049238350 JQMQKOQOLPGBBE-JOEKCXIYSA-N 402.663 6.648 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1c(OC)cccc1OC 806978 CNUIOKVHEIWLLP-UHFFFAOYSA-N 420.490 5.241 0 40 HKAB COc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 947918 JOHYDNBMGWOZNE-JOCHJYFZSA-N 414.910 5.137 0 40 HKAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(C)c(Cl)c3)c2c1 952887 CBMQHCXFOGMLMU-UHFFFAOYSA-N 412.873 5.294 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)c3ccccc3)cc2c1 1359347 VSLYHGQDFCGKQL-UHFFFAOYSA-N 410.517 5.242 0 40 HKAB O=C(c1cccc(Cl)c1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363799 QIPFJKQANTWPKM-HNNXBMFYSA-N 402.281 5.063 0 40 HKAB Cc1ccc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 1392128 UONQUOBPNVYJBW-UHFFFAOYSA-N 409.363 6.156 0 40 HKAB CC(C)(C)c1ccc(Oc2coc3cc(OC(=O)C4CCCCC4)ccc3c2=O)cc1 1807466 CNDCKRXEIHUIPA-UHFFFAOYSA-N 420.505 6.369 0 40 HKAB CCCCCCc1c(C)c2ccc(OCc3cccc(C(F)(F)F)c3)cc2oc1=O 1902779 JAXAPKLUAGWOFU-UHFFFAOYSA-N 418.455 6.822 0 40 HKAB Cc1cccc(O[P@](=O)(Oc2ccccc2)O[C@H](c2ccccc2)C(F)(F)F)c1 2274989 NJUYNBCHRXCGCK-OLILMLBXSA-N 422.339 6.881 0 40 HKAB Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1NC(=O)/C=C/c1ccccc1 2375540 FFCVBCKSTPOFRC-FYWRMAATSA-N 419.488 5.213 0 40 HKAB CC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(C)c(Cl)c2)c2nc3ccccc3nc12 2407550 GZBWQRKPNFYHFE-CYBMUJFWSA-N 408.889 5.073 0 40 HKAB CC(=O)c1cccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)c1 2647129 CVCIIQBVBQMBGS-QFIPXVFZSA-N 420.896 5.043 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2)sc(C)c1-c1cccs1 2648407 VVZUQPFTEVKCKW-CYBMUJFWSA-N 415.536 5.368 0 40 HKAB Cc1ccc(Cn2ccc(NC(=O)c3c(-c4ccccc4Cl)noc3C)n2)cc1 2762491 QRRASSCLFCZNNO-UHFFFAOYSA-N 406.873 5.109 0 40 HKAB Cc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)c(C)c1 3012964 GRQRBXXWDDCXSY-RDJZCZTQSA-N 404.392 5.006 0 40 HKAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1ccccc1Oc1ccccc1 3216598 ISCHUKYSTZTPDB-UHFFFAOYSA-N 411.457 5.357 0 40 HKAB COc1ccc(NCc2nn3cc(-c4ccc(Cl)cc4)c4c3n2CCCC4)cc1 3230906 KWQMSYULSLGPJP-UHFFFAOYSA-N 406.917 5.413 0 40 HKAB O=C(c1ccncc1)N(c1ccc(SC(F)F)cc1)c1nc2ccccc2s1 3260643 ZLQYAOIMMVVQPO-UHFFFAOYSA-N 413.474 5.985 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CSc1nn(-c2ccccc2)c(=S)s1 3360005 XWTUFEHQWRFFGJ-UHFFFAOYSA-N 407.973 5.356 0 40 HKAB Cc1ccc(C(=O)n2ccc([C@H](C)Oc3ccc(-c4ccccc4)c(F)c3)n2)cc1 4050142 HEVYQCSQWOMZHK-SFHVURJKSA-N 400.453 5.826 0 40 HKAB Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@H]2/C=C/c2ccccc2)cc1 4090703 FKCSGKDBQVNWDY-CQLKWFSRSA-N 410.517 5.074 0 40 HKAB biogenic O=C(Nc1ccc(Cl)cc1)N(Cc1nnc2n1CCCCC2)c1ccc(F)cc1 4518175 OFDFMDKFUMZCOS-UHFFFAOYSA-N 413.884 5.036 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(SC)cc2)N3)C1 4554585 QQEAZETWLICNIJ-AUUYWEPGSA-N 400.613 6.440 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2cccc(C)c2C)sc2c1CC[C@@H](CC)C2 4558418 HCKVUXZRMSTOPB-MRXNPFEDSA-N 415.555 5.074 0 40 HKAB COc1cc2nc(Nc3nc(-c4ccccc4)c(C(C)=O)s3)sc2cc1OC 5122769 CJBMFISNRYTHFP-UHFFFAOYSA-N 411.508 5.383 0 40 HKAB COc1ccc(-c2c[nH]nc2-c2ccc(OCc3cccc(Cl)c3)cc2O)cc1 5164678 DDIMIOYMRNEKPO-UHFFFAOYSA-N 406.869 5.690 0 40 HKAB CCCN1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 5296803 AAKKBDRKAVVXOV-QFIPXVFZSA-N 409.961 5.394 0 40 HKAB C[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)N[C@H]1CCCc2ccccc21 5391933 PREQOMJXQRQLBK-UGSOOPFHSA-N 413.930 5.064 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cccc(Cl)c1 5477703 OMHHPESELUXXLW-UHFFFAOYSA-N 407.326 5.003 0 40 HKAB CC(=O)Nc1ccc(Oc2nc(-c3ccc(OC(C)C)cc3)nc3ccccc23)cc1 5562313 XIFXCXQGHINONL-UHFFFAOYSA-N 413.477 5.835 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 5676006 ICQDIMKHAMQXMR-UHFFFAOYSA-N 415.276 5.507 0 40 HKAB CCn1c(COc2cccc(C(F)(F)F)c2)nnc1SCc1ccc(C)cc1 5717866 CKXICAWQFCVSFW-UHFFFAOYSA-N 407.461 5.497 0 40 HKAB CC1CCN(c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2Cl)CC1 6026081 XJNYXYHYOPEPTD-UHFFFAOYSA-N 408.929 5.747 0 40 HKAB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cc2ccccc2o1 6356566 FXDNVKHSJUJDJF-UHFFFAOYSA-N 420.538 5.367 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)C1(c2ccccc2F)CCCC1 6468274 UIFKZIBMYSLLNC-LVCYWYKZSA-N 404.522 5.185 0 40 HKAB CCOc1cc(-c2cccs2)c/c(=N\c2ccc3c(c2)OCO3)c2c(C)oc(C)c12 6783966 XYOKQNWSZWZQLU-XIEYBQDHSA-N 419.502 6.138 0 40 HKAB biogenic O=c1c2ccccc2nc(SCc2ccccc2Cl)n1-c1ccccc1Cl 6889519 HOOXAWSNDGQQGX-UHFFFAOYSA-N 413.329 5.985 0 40 HKAB CC(C)n1ncc2c(C(=O)Nc3ccc(N4CCCCC4)cc3)cc(C3CC3)nc21 8226320 QIDZNJAWPSPIQH-UHFFFAOYSA-N 403.530 5.132 0 40 HKAB CC[C@@H](CO)NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 8326249 WNYKCEPNKUHBCX-SFHVURJKSA-N 404.337 5.586 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(-c3ccoc3C)o2)c2ccccc2)c1 8327037 WDYOUVLQSXOWIX-FQEVSTJZSA-N 419.506 5.727 0 40 HKAB CNC(=O)CC[C@]1(C)[C@@H](O)CC[C@@H]2[C@@H]3CC[C@@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]21 8615385 NQHLWIQKUHZEBA-GFJBVHNMSA-N 419.694 6.195 0 40 HKAB CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)c(C)c2c1 9250760 LNUXNPXXYAIFNQ-QFIPXVFZSA-N 424.972 5.914 0 40 HKAB COc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1OC 10120328 FYENAIGEBKOFPF-UHFFFAOYSA-N 416.477 5.059 0 40 HKAB Cc1nc(COc2ccccc2/C=C/C(=O)N[C@@H](C)c2ccc(F)c(F)c2)cs1 10307360 GPHZUBVVLZEOKR-PLWJUESGSA-N 414.477 5.199 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 10331616 VYSBWJQGZYRPQR-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 12196730 AEGDELKUDBWWDG-ZJSXRUAMSA-N 404.441 5.085 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C)sc(C)c1C 12274733 ZNZZIJILHVNNPP-UHFFFAOYSA-N 417.914 6.016 0 40 HKAB O=c1[nH]c(-c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2sc3c(c12)CCCC3 12285372 JWFBLHTZWRWSKE-UHFFFAOYSA-N 417.317 6.097 0 40 HKAB Cc1cc(NC(=O)c2cccc(Cl)c2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442005 WSDBWXPZDYCEHK-UHFFFAOYSA-N 412.877 5.349 0 40 HKAB C[C@@H](c1nnc(S[C@H](C)c2ccccc2)n1-c1ccc(F)cc1)N1CCCCC1 12516909 BNTDVMCMQKLYCH-ZWKOTPCHSA-N 410.562 5.807 0 40 HKAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccc(Cl)cc1F 12758917 PHXDHWXMMHOOSJ-NRFANRHFSA-N 400.906 5.127 0 40 HKAB CC(C)=CCC[C@]1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@@H](c2ccc(O)cc2O)O3)O1 13374706 FBVQKNJIYRJQBU-NBGIEHNGSA-N 422.477 5.421 0 40 HKAB endogenous,in-man COCc1nn2c3c(cnc2c1-c1cccc(Cl)c1)C(=O)C[C@@H](c1cccs1)C3 13638370 KEDHLWPANRBHHL-AWEZNQCLSA-N 423.925 5.170 0 40 HKAB COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cccc(C)c2)cc1 13689412 VBXZJKPPYLEOFJ-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB O=C(c1cccs1)N1CCc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc21 13694909 RQVNEEIAHZPHNM-UHFFFAOYSA-N 406.551 5.106 0 40 HKAB Cc1cc(/C=C/C(=O)N(C)Cc2nc3ccccc3s2)c(C)n1Cc1ccco1 14254272 RJBOBRAWMKTAKB-ZHACJKMWSA-N 405.523 5.028 0 40 HKAB COc1cc(OC)c([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1OC 15016168 LHZSDJAGDKHODQ-HXOBKFHXSA-N 422.506 5.016 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1 17087910 OLCAINVMZDAAMZ-UHFFFAOYSA-N 408.457 5.974 0 40 HKAB COc1cccc(/C=C/C(=O)N(C)Cc2cccc(Cl)c2Cl)c1OC(F)F 19295564 DSYURPSCRPBOTK-MDZDMXLPSA-N 416.251 5.275 0 40 HKAB O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1 21207999 CXMFWJVCYSEZJZ-QHCPKHFHSA-N 421.541 5.287 0 40 HKAB Cc1ccccc1Cn1nc(C)c(NC(=O)c2cccc(Oc3ccccc3)c2)c1C 27922065 KYDQAZPHJBVQFX-UHFFFAOYSA-N 411.505 5.901 0 40 HKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 30867687 GXVXBQPIXBMOHK-DEOSSOPVSA-N 421.512 5.495 0 40 HKAB CCCCOc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)c2cccnc12 32622574 XYRUQANEQNPOST-UHFFFAOYSA-N 415.493 5.938 0 40 HKAB CN1CCN(P(=O)(/C=C(\Cl)c2ccccc2)/C=C(/Cl)c2ccccc2)CC1 33402533 DFHLWTZISUGNQT-ARHRGINZSA-N 421.308 5.987 0 40 HKAB Fc1ccc(-n2nc(-c3ccccc3Cl)c(Cl)c2-c2ccccc2Cl)cc1 36611279 LIXAAWFOJBERHQ-UHFFFAOYSA-N 417.698 7.306 0 40 HKAB Cc1cccc(O[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c1C 44899925 QSYNJGOZWUKTHK-OAHLLOKOSA-N 412.382 5.427 0 40 HKAB Cn1ccnc1Sc1ccc(Cl)cc1NC(=O)c1cnc(Cl)c(Cl)c1 58438719 JODSWTWOXVVMBL-UHFFFAOYSA-N 413.717 5.179 0 40 HKAB COc1cccc(Cn2c(SCc3ccc(C)cc3)nc3ccccc3c2=O)c1 67258757 NLJMYSUJCWOXFI-UHFFFAOYSA-N 402.519 5.054 0 40 HKAB CC[C@H](NC(=O)Nc1ccccc1SC1CCCC1)c1nnc2n1CCCCC2 79019564 APEKQMTVOZFTSD-KRWDZBQOSA-N 413.591 5.312 0 40 HKAB COc1ccccc1-c1cc(C(F)(F)F)nc(N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)n1 101246182 QTODJWROFYDYQA-SZNDQCEHSA-N 405.464 5.576 0 40 HKAB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@H](c3ccccc3)C2=C(O)C1 104163794 IXZSWNFAFYUJSR-AREMUKBSSA-N 422.528 6.793 0 40 HKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC 106683357 VYXMAHMTJDFNFT-UNOMPAQXSA-N 417.914 5.374 0 40 HKAB Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1Cl 106971516 BKUIKYAORFINBI-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB CCCOc1c(Br)cc(CNc2ccc(F)c(Cl)c2)cc1OC 106994329 SMBLZUJDFMTZJY-UHFFFAOYSA-N 402.691 5.651 0 40 HKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc4ccccc34)o2)cc1C 107546210 NHZXKULZYISNRZ-UHFFFAOYSA-N 400.503 5.843 0 40 HKAB C=CC[C@@H](CCCCCCCCCCC)OC(=O)[C@H](OC(C)=O)c1ccccc1 136914118 PFHQGJZBISBLGP-BJKOFHAPSA-N 402.575 6.700 0 40 HKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCC(C)C)c1ccccc1 223416103 FPOCOFZJRBJIJX-HSZRJFAPSA-N 414.977 5.372 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccccc1C(C)C 224232396 MJUBCYUBFXWLSO-UHFFFAOYSA-N 417.505 5.853 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1CSc1ccccc1 224325952 XVIAFODIVVKROG-UHFFFAOYSA-N 417.452 6.259 0 40 HKAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1CSc1ccccc1 224331615 RWUNQVKKBHRQKY-LJQANCHMSA-N 405.563 5.739 0 40 HKAB C[C@@H](CNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 224544896 TUFLLVCPIPBHKD-INIZCTEOSA-N 405.369 5.125 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1CSc1ccccc1 224653501 UQEZPNYSWFLINN-UHFFFAOYSA-N 423.534 5.647 0 40 HKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 225129111 POHRTYSYHLEOHV-RUZDIDTESA-N 420.597 5.102 0 40 HKAB Clc1ccc(Cl)c(-c2nc3cc(Br)cc(Br)c3[nH]2)c1 226343374 WHFBSKFQONTODG-UHFFFAOYSA-N 420.919 6.062 0 40 HKAB CCCCN(CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCCC(C)=C3C[C@H]21 248333416 JZPFBQTVTHEIAT-HEJCWENXSA-N 418.666 5.327 0 40 HKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1 408675053 GELDTDWCTFPKBN-UHFFFAOYSA-N 406.844 5.529 0 40 HKAB CCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1ccccc1Cl 409110908 ZMZXTNOULWPBCG-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB CCc1ccccc1NCc1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 409117870 RHUWXGHEBYGHQP-UHFFFAOYSA-N 404.312 6.886 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)NCCSc1ccc(Cl)cc1 409171729 FZXPZYGRBMPITG-UHFFFAOYSA-N 420.814 5.789 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC 409192028 SSSIRNQBXZYLGC-LDADJPATSA-N 403.887 5.378 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccccc1OCc1ccccc1F 409377784 KTKXFXYVHOUTME-NRFANRHFSA-N 424.497 5.173 0 40 HKAB O=C(O)CC1(CCNC(=O)OCC2c3ccccc3-c3ccccc32)CCCCC1 521396593 JHFQQLQWCHHMJN-UHFFFAOYSA-N 407.510 5.340 0 40 HKAB O=C(Nc1c(-c2ccccc2)nc2ccc(Cl)cn12)C12CC3CC(CC(C3)C1)C2 606422364 QDLHNQAEMNVOIT-UHFFFAOYSA-N 405.929 5.810 0 40 HKAB O=C(Nc1ccccc1Oc1ccc(F)cc1)c1ccnc(Cc2cccc(F)c2)c1 2037844536 WMYSQIZVQAHXJN-UHFFFAOYSA-N 416.427 5.995 0 40 HKAB O=C(CSc1nc(COc2ccccc2)nc2ccccc12)c1ccc(Cl)cc1 1356127 HCZHAMNKFMCQGA-UHFFFAOYSA-N 420.921 5.837 0 40 HKAB COC(CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1)OC 1447563 AIPZSYFGROOQQX-UHFFFAOYSA-N 422.916 5.080 0 40 HKAB CC1(C)[C@H]2CC=C(CCOC(=O)COc3cc(Cl)c(Cl)cc3Cl)[C@@H]1C2 1648523 QJLPKHKSZWZRMV-STQMWFEESA-N 403.733 5.951 0 40 HKAB Oc1cc(CN(Cc2ccccc2)Cc2cc(O)c3ncccc3c2)cc2cccnc12 1717594 KPDHEUCSHRLRHP-UHFFFAOYSA-N 421.500 5.397 0 40 HKAB Cn1c(-c2ccccc2)c(C(=O)c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 2053635 ZSUREWKKYCEXEN-UHFFFAOYSA-N 413.520 7.257 0 40 HKAB Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccc(F)cc3)c2c1 2079798 SHLCGMWJCFVWMW-UHFFFAOYSA-N 404.872 6.563 0 40 HKAB CC[C@]1(C)Cc2c(sc3nc(SCc4ccc5ccccc5c4)nc(N)c23)CO1 2222292 LNVSVBIYASSHDE-HSZRJFAPSA-N 421.591 5.960 0 40 HKAB CC[C@@](C)(CCNC(=O)C[C@H](c1ccc(OC(C)C)cc1)C(C)C)c1ccccc1 2370743 GZOKPKAHBBDHGC-BDYUSTAISA-N 409.614 6.478 0 40 HKAB CCc1ccc(-c2cc(C(=O)Nc3c(CC)cccc3CC)c3ccccc3n2)cc1 2745522 NBIKPCIKEVWPGK-UHFFFAOYSA-N 408.545 6.841 0 40 HKAB O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc(OCc2ccccc2)cc1 2968790 HJPMPVSGNLZEAW-UHFFFAOYSA-N 423.468 5.883 0 40 HKAB CC(C)(C)CC(C)(C)NC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 3013000 LKKYNGHAJCLEKD-HIFRSBDPSA-N 412.456 5.081 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)c2ccc3ccccc3n2)c2ccccc2)c1 3222062 LVOGQNYUEKOXOK-XMMPIXPASA-N 410.473 5.388 0 40 HKAB CC1=C(C)C[C@](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)(c2ccccc2)[S@@](=O)C1 4114091 FLFUPAMWVHIQBX-BWJBTXGUSA-N 402.600 5.375 0 40 HKAB Cc1ccc(NC(=O)N2N=C3c4ccccc4CC[C@@H]3[C@H]2c2ccc(Cl)cc2)cc1 4665069 KFMBHNXCGMDNGS-LADGPHEKSA-N 415.924 6.204 0 40 HKAB Cc1ccc(-n2nc3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1 4680825 VWBDUPVTFOOTEU-UHFFFAOYSA-N 408.914 5.113 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Br)cc2)N3)C1 4867066 XLYPUQFFIYCJCF-SJKOYZFVSA-N 419.388 5.516 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)cc1 5099365 CCCQXDMWEKQIIT-UHFFFAOYSA-N 402.494 5.422 0 40 HKAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4C)=NN32)cc1OC 5164679 FQXYBGMRESVFEY-BKMJKUGQSA-N 414.505 5.563 0 40 HKAB O=C(Nc1ccccc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 6045675 RYCPPVVXTKKJTO-UHFFFAOYSA-N 414.508 7.064 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 6352436 PJGLOTSJPPFBFW-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccccc2)n(C[C@@H]2CCCO2)c1C 6768015 NQBQOLLZYXYMMX-IBGZPJMESA-N 414.509 5.080 0 40 HKAB CCOc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 6965133 NMEHABLPINXPCT-LICLKQGHSA-N 408.306 5.629 0 40 HKAB C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)NCc1cccs1 7635661 BOBZBWKWCCQZDI-OAHLLOKOSA-N 405.548 5.155 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)N[C@H](c1ccc(C)c(C)c1)O2 8437881 FJSXKNCFFDBTIA-MHZLTWQESA-N 424.500 6.221 0 40 HKAB COc1cc(CNC2CCCCC2)cc(Br)c1OCc1ccc(F)cc1 8470223 RECSZILTQGRDDX-UHFFFAOYSA-N 422.338 5.598 0 40 HKAB Cc1ccc(C(C)C)c(OCc2nn(CC(=O)c3ccc(Cl)cc3)c(=S)o2)c1 8549796 RSZGSMAQIYYIOU-UHFFFAOYSA-N 416.930 5.753 0 40 HKAB Cc1ccc(CN(C(=O)Nc2ccccc2)c2nnc3n2CCCCC3)cc1Cl 8550812 DDIJZODRBALWOP-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB Cc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)NC2CCCCC2)nn1 9116610 DHRIMRFJHJFGPG-UHFFFAOYSA-N 424.595 5.117 0 40 HKAB CCN(CC)P12(Oc3ccccc3O1)O[C@H](c1ccccc1)O[C@@H]2c1ccccc1 9356555 PRSHBXLJYQRYQW-RPWUZVMVSA-N 423.449 6.457 0 40 HKAB O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)c1ccccc1C(F)(F)F 9367663 YOVFWRUEMMBHJV-UHFFFAOYSA-N 418.227 5.783 0 40 HKAB Cc1ccc(SCCCC(=O)Nc2nc3ccc4sc(C)nc4c3s2)cc1 9473824 QIEZTYUNZVAOQP-UHFFFAOYSA-N 413.593 6.034 0 40 HKAB CCOC(=O)c1ccccc1NC(=O)c1ccc2noc(-c3ccc(C)cc3)c2c1 9528958 LLMIPRGFLMBGRC-UHFFFAOYSA-N 400.434 5.232 0 40 HKAB COc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccc(Cl)cc3)ccc2o1 9660163 OAIITGRDUUEHMM-UHFFFAOYSA-N 405.837 5.374 0 40 HKAB biogenic Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc4ccccc34)c2)cc1 10314647 QDKRKUMHTFWUDB-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB Cc1ccccc1OCC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 10328473 KJBVGLPFSNCODI-UHFFFAOYSA-N 401.506 5.541 0 40 HKAB O=C(CSc1ccccc1Cl)N1N=C(c2cccs2)C[C@@H]1c1ccco1 11481262 APRVZSWUUYASCH-OAHLLOKOSA-N 402.928 5.465 0 40 HKAB CC(=O)Nc1ccc(-c2csc(Cc3nc(-c4ccc(C)cc4)cs3)n2)cc1 12927555 WDFIDMVYMSYLBE-UHFFFAOYSA-N 405.548 5.791 0 40 HKAB Cc1ccc(NCc2cc3c(-c4ccc(F)cc4)nn(-c4ccccc4)c3[nH]c2=O)cc1 13564717 PZYUWIDGVTVJPQ-UHFFFAOYSA-N 424.479 5.440 0 40 HKAB CC(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 13628620 MHLFREUZZWHXPL-UHFFFAOYSA-N 414.549 6.612 0 40 HKAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 14707340 ANDOOWRMDJDZSN-KRWDZBQOSA-N 405.548 5.706 0 40 HKAB CC(C)Oc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)cc1 15081446 NYHKZJWVCRZZFE-KRWDZBQOSA-N 407.491 5.375 0 40 HKAB S=c1[nH]c(-c2cccs2)nn1CN1CCc2sccc2[C@@H]1c1cccs1 16878993 ZALJICXKNFTRQH-MRXNPFEDSA-N 416.622 5.397 0 40 HKAB CCc1ccc(-c2nc3cc(NC(=O)COc4cccc5ccccc45)ccc3o2)cc1 17093080 HTPKFVPOWXKXFS-UHFFFAOYSA-N 422.484 6.228 0 40 HKAB CCCC(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 17093821 GITDPRLLRUNWAI-UHFFFAOYSA-N 424.378 5.883 0 40 HKAB CC(C)(C)CC(=O)N[C@@H](C[C@@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1 19082756 KTUJFLCRFLYJLH-GMAHTHKFSA-N 411.565 5.259 0 40 HKAB Cc1ccc(C)c([C@H](NC(=O)C[C@@H](C)n2nc(C)c(Cl)c2C)c2ccncc2)c1 19132207 GEWSFMRZMMIORZ-WAIKUNEKSA-N 410.949 5.022 0 40 HKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 21595307 IRLYBQNCGULCOZ-UHFFFAOYSA-N 401.506 6.680 0 40 HKAB COc1ccc(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C2=NCCCCC2)cc1 22757931 IJKAAPYTTVMYNI-UHFFFAOYSA-N 406.313 6.013 0 40 HKAB CCCCCc1ccc(Nc2ncccc2C(=O)Nc2cc(Cl)ccc2OC)cc1 40556527 LDSZVQBTMUTZIQ-UHFFFAOYSA-N 423.944 6.472 0 40 HKAB O=C1CCCN1c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1 44842361 FIOZABLYJXBKJV-UHFFFAOYSA-N 401.491 5.648 0 40 HKAB O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(Cl)cc2)=NC12CCCCCC2 45932945 AFWYEAGLTJGDHU-UHFFFAOYSA-N 414.933 5.802 0 40 HKAB Fc1ccc(-n2nc(SCc3ccccc3OC(F)F)sc2=S)cc1 48236824 WYJISVFZQIKUQJ-UHFFFAOYSA-N 400.472 5.696 0 40 HKAB Cc1ccc(-c2ccnc(SCC(=O)Nc3ccc(F)cc3Cl)n2)cc1C 57519698 CVCNQGFBKRAIAS-UHFFFAOYSA-N 401.894 5.284 0 40 HKAB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 59056030 YTKUOMZUUYLXSO-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB CC1(C)[C@](Cc2cccc(Oc3ccccc3)c2)(C(=O)O)[C@@]1(C#N)C=C(Cl)Cl 59441008 KTIUJQVCYUDHCV-YADHBBJMSA-N 416.304 5.961 0 40 HKAB CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)cc1 59483730 OYHSYYUIMVKPFD-RUZDIDTESA-N 400.522 6.370 0 40 HKAB COc1cc(OC)cc(-n2c(SCc3ccc(C)cc3)nc3ccccc3c2=O)c1 67258613 LSOQVEHPQNLRLK-UHFFFAOYSA-N 418.518 5.004 0 40 HKAB Cc1ccc(-c2nc(-n3c(-c4ccccc4)csc3=O)c(-c3ccccc3)o2)cc1 71195108 QZZCYOWUSXPETH-UHFFFAOYSA-N 410.498 6.196 0 40 HKAB CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)C1CCCC1 72370532 VWOSIOMQDGGVIA-GOSISDBHSA-N 412.599 5.153 0 40 HKAB COc1ccc(C(C)=O)cc1CC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 78733003 HCTXIVATOSVGHO-FQEVSTJZSA-N 419.443 5.213 0 40 HKAB O=C(Cc1csc(-c2ccccc2Cl)n1)N(CCC(F)(F)F)CC1CC1 79053714 YHTZSZREWVTOAJ-UHFFFAOYSA-N 402.869 5.197 0 40 HKAB Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2cccnc2SC(F)(F)F)CC1 84027104 TZNVHLCRDDSINM-UHFFFAOYSA-N 419.472 5.503 0 40 HKAB CCCCN(CC)C(=O)c1ccn(-c2ccc3ccc(-c4cccc(F)c4)cn23)n1 96038128 WZEVGDRLPSPJML-UHFFFAOYSA-N 404.489 5.193 0 40 HKAB Cc1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc(Cl)cc4)CC(O)=C32)cc1 100426697 WFAQSZPZOCFMGZ-AFMDSPMNSA-N 414.936 7.277 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](/C=C/c1ccccc1)C(=O)c1ccccc1 103212192 SQYUSQQNCYCPRO-VJHVHOHKSA-N 404.550 6.203 0 40 HKAB ClC1=C(Cl)[C@]2(Cl)[C@](Cl)(C1)[C@]1(Cl)C[C@]2(Cl)C(Cl)=C1Cl 104326964 IQSMWCVXFYYACT-AATLWQCWSA-N 407.766 6.096 0 40 HKAB O=C1S/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1Cc1ccccc1 106680243 LYPQPUOVURVACC-IUXPMGMMSA-N 413.296 5.167 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913591 YEYCQJVCAMFWCO-FVEYCNCKSA-N 414.674 7.569 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1Oc1ccccc1 222924467 ZZCTVZQTWMUAGA-QHCPKHFHSA-N 403.522 6.573 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C1(c2ccccc2)CCOCC1 223515266 KKSKFDZLFSGTAV-UHFFFAOYSA-N 415.577 5.841 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1)c1ccccc1C 225322481 OCWGWAUPMBSMKE-NRPPHEFGSA-N 418.562 5.403 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 225357095 GBGGBHYMOGIYAV-UHFFFAOYSA-N 419.352 5.581 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccccc2Cl)CCCCC1 225553193 VZAJBQHKZUBMBT-UHFFFAOYSA-N 419.952 6.760 0 40 HKAB COC(=O)c1cc(NC(=S)NC2(c3cccc(C)c3)CCCC2)ccc1Cl 225861346 ZWTTWMNKUOTANU-UHFFFAOYSA-N 402.947 5.191 0 40 HKAB CCOc1ccc(C2=NN3[C@H](c4cccs4)Oc4c(OC)cccc4[C@H]3C2)cc1 245026596 NCCMNHMMIKNLBL-XXBNENTESA-N 406.507 5.398 0 40 HKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(F)c(F)c2)C1 257256589 KMCVMCRIWQCYIQ-VWPQPMDRSA-N 407.888 5.742 0 40 HKAB O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 257286468 PLRODAPIWLSHKD-HXUWFJFHSA-N 415.924 5.903 0 40 HKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260816951 SLESWSKNIAROBD-YKSBVNFPSA-N 404.595 5.254 0 40 HKAB S=C(NCCCc1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408587172 RTACVPNRPUBXMI-UHFFFAOYSA-N 404.623 6.074 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(Cl)cc3)n2)cc1 408696269 ZASPABXBCKVSSZ-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2ccccc2)cc1 408699324 WGNJDCCTLXMVCN-UHFFFAOYSA-N 404.473 5.648 0 40 HKAB Cc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccc(Cl)cc1Cl 408824387 HJPCTSKAQFQFEZ-UHFFFAOYSA-N 421.393 6.580 0 40 HKAB COc1cc(C)c(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1C(C)C 409060336 QAXUYKCCBDCVJM-ODLFYWEKSA-N 401.915 6.021 0 40 HKAB CCc1ccccc1NCc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 409117549 OJZFFZCCBVILSL-UHFFFAOYSA-N 420.767 7.400 0 40 HKAB O=C1S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 409193765 LNNCTFLVQORKMN-RIYZIHGNSA-N 410.676 5.049 0 40 HKAB O=C(CSc1nnc(Cc2ccccc2)o1)N(C1CCCCC1)C1CCCCC1 409328825 BGZPHUSHYRZDJZ-UHFFFAOYSA-N 413.587 5.247 0 40 HKAB CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 409377657 JVODHSJGCMRRAH-UHFFFAOYSA-N 418.537 5.586 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)cc1 409409618 IXXUEKVTODRHAR-UHFFFAOYSA-N 416.590 5.245 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2049238363 LNGLEOIUQBVRRY-BISKMQHVSA-N 400.647 6.856 0 40 HKAB Cc1ccccc1-c1nc2cc(NC(=O)c3ccccc3Br)ccc2o1 826469 AXYTWGYRMLCAJF-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N(Cc1ccccc1)Cc1ccccc1 848495 GUTHCAHJYLUOFO-UHFFFAOYSA-N 421.850 5.093 0 40 HKAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2ccco2)cc1 1341589 CFWRDQWYJLCFRD-QHCPKHFHSA-N 420.509 5.014 0 40 HKAB O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](Nc1ccccc1)c1cccnc1 1715333 JBWCVAQQCCCQJE-XMMPIXPASA-N 416.417 6.543 0 40 HKAB CCCOc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 1849631 OAPWMFBSVNQSIZ-UHFFFAOYSA-N 406.448 5.737 0 40 HKAB Cc1ccc(-c2csc(NC(=O)c3c(-c4ccccc4Cl)noc3C)n2)c(C)c1 2081831 PROQWDSAUVJZFL-UHFFFAOYSA-N 423.925 6.296 0 40 HKAB CCc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1 2146967 UDKGSSSJEQNXMU-UHFFFAOYSA-N 403.478 5.598 0 40 HKAB biogenic Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2Cl)cc1 2224038 FRTIIBLNBPXMNI-QFIPXVFZSA-N 415.876 5.500 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCc1ccccc1-3 2296031 FPMWSFCOUIUEDA-UHFFFAOYSA-N 418.587 5.774 0 40 HKAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 2374811 LUGVFWJDJWZJRT-UHFFFAOYSA-N 401.293 6.106 0 40 HKAB COc1ccc2ccccc2c1/C=C/[C@@]12NC(=O)CCN1c1ccc(C)cc1C2(C)C 2413115 FUNMBBVPRHUOBU-AXSXGGAZSA-N 412.533 5.184 0 40 HKAB CC(C)c1ccc(Nc2nnc(SCC(=O)c3ccc(Cl)s3)s2)cc1 3220927 RJSVXEIWVFMWFU-UHFFFAOYSA-N 409.989 6.095 0 40 HKAB COc1ccc(NC(=O)[C@@H](OC(=O)c2cccc(F)c2)c2ccccc2)cc1Cl 3300147 VGPYRBNNFUKZID-FQEVSTJZSA-N 413.832 5.025 0 40 HKAB CC(C)(C)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 3633467 YRTTZURMEJIMTM-HSZRJFAPSA-N 406.551 5.299 0 40 HKAB Clc1ccccc1/C=C/c1nc2ccc(Oc3ccccc3)cc2c2c1CCS2 4052171 HJVJQAJVVUFGLJ-ZRDIBKRKSA-N 415.945 7.499 0 40 HKAB Cc1cccc(C)c1-n1nnnc1C1(Nc2ccc(Cl)c(Cl)c2)CCCCC1 4065783 LMXASAIFMNDYKF-UHFFFAOYSA-N 416.356 5.857 0 40 HKAB COc1ccc(CN(CC[C@]2(CCC(C)C)CCOC(C)(C)C2)C(C)=O)cc1OC 4073170 IPJPDPQLCHANHD-RUZDIDTESA-N 419.606 5.454 0 40 HKAB biogenic Cc1cccc(-c2nc(C)c(CCNC(=O)c3ccc(C(F)(F)F)cc3)s2)c1 4392499 VGICVRNGFIXLSA-UHFFFAOYSA-N 404.457 5.418 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4F)o2)N3)C1 4523659 PBAXDNDAOZDZOU-ZSEKCTLFSA-N 424.541 6.152 0 40 HKAB Clc1ccc(CSc2nnc3c4ccccc4nc(C4CCCCC4)n23)cc1 4898255 AGRIOYFGOUNAPN-UHFFFAOYSA-N 408.958 6.271 0 40 HKAB C[C@@H]1C[C@@H](C)CN(c2cc(-c3ccccc3)nc3cc(-c4ccc(Cl)cc4)nn23)C1 4980506 YQJQWKJRHYIYIP-QZTJIDSGSA-N 416.956 6.199 0 40 HKAB CC[C@H](C)COC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 5030314 ZELHPOLDVWUPCS-ZDUSSCGKSA-N 408.889 5.012 0 40 HKAB CCCCN(CCCC)P(N(CCCC)CCCC)N(CCCC)CCCC 5821193 URQFNWOYQMPPKL-UHFFFAOYSA-N 415.691 7.920 0 40 HKAB CCSc1nnc(NC(=O)c2oc3ccccc3c2COc2ccccc2)s1 7060164 LPMOYLJPWAMCFP-UHFFFAOYSA-N 411.508 5.228 0 40 HKAB CCCCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 7260991 VKFRFMCHEPTEKM-UHFFFAOYSA-N 410.783 6.351 0 40 HKAB CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2C)CC1=O 7543281 XWZJMMHSLPNOSG-QFIPXVFZSA-N 409.533 5.476 0 40 HKAB CCC[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 7763822 HEPMBNMKMCIVFU-KRWDZBQOSA-N 412.584 5.091 0 40 HKAB COc1ccccc1-c1csc(NC(=O)c2sc(-c3ccccc3)nc2C)n1 7996155 HOSDSBBKYSRTCM-UHFFFAOYSA-N 407.520 5.503 0 40 HKAB COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 8452471 KIRQJVFNWLNWMB-UHFFFAOYSA-N 422.484 5.867 0 40 HKAB Cc1ccc(C)c(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2C)c1 9185002 RFWDRLBIIAHGGJ-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB Cc1cc(CSc2ccccc2C(=O)Nc2cccc(-c3csc(C)n3)c2)no1 9533838 VTXPCFYUCRIEMY-UHFFFAOYSA-N 421.547 5.960 0 40 HKAB Cc1ccc(SCCCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 10217880 ITOCKQUDYAYFGW-UHFFFAOYSA-N 412.536 5.358 0 40 HKAB CCOc1cccc2cc(-c3csc(NC(=O)c4ccc5ncsc5c4)n3)oc12 10750335 DBXZRCBGHHNSNR-UHFFFAOYSA-N 421.503 5.817 0 40 HKAB CCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN23)cc1 12192415 OHYJGVXBBAKWQN-NOZRDPDXSA-N 418.924 6.371 0 40 HKAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cccc(Oc2ccccc2)c1 12690212 IPKJTEYVQXBXFU-UHFFFAOYSA-N 404.466 5.918 0 40 HKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(F)cc1Cl 12934022 DMWPOOCQJPBDKO-UHFFFAOYSA-N 408.260 5.235 0 40 HKAB CN(Cc1ccc(Cl)c(Cl)c1)Cn1nc(-c2ccncc2)n(C2CC2)c1=S 14182546 NXUGTNYOZKOJEZ-UHFFFAOYSA-N 420.369 5.207 0 40 HKAB Cc1ccc(NC2=N[C@](c3ccccc3)(C(F)(F)F)Oc3cc(C(C)C)ccc32)cc1 15906386 FKVLZXUFARXBMD-DEOSSOPVSA-N 424.466 6.785 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)C[C@H](O)CC[C@]34C)[C@H]1C[C@@H](CN1CCCCC1)C2=O 16918203 YHCZRFRDIZKNKD-FZXMNSAFSA-N 401.635 5.061 0 40 HKAB CCCOc1c(Cl)cc([C@H]2CC(=O)Nc3c2ccc2ccccc32)cc1OCC 19691016 GLNKFHNNDGHJCC-LJQANCHMSA-N 409.913 6.155 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20145294 BHXHDCWXJAPFJK-UKTHLTGXSA-N 419.864 6.004 0 40 HKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20456331 QKEARJHOGZJZIV-VWLOTQADSA-N 400.522 6.227 0 40 HKAB CCCC(=O)Nc1ccc2nc(SCCOc3ccc(C)cc3OC)sc2c1 20895185 SWIMHICAIDHJQH-UHFFFAOYSA-N 416.568 5.523 0 40 HKAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)c1 21579392 YCHQPVZKBSALPE-INIZCTEOSA-N 416.477 5.933 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(C)c3ncccc23)ccc1OCc1ccncc1 24472244 SMWMCPYHUPSBGJ-UHFFFAOYSA-N 413.477 5.168 0 40 HKAB CCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)cc1 27582775 LUSMMPDXLQZRPR-QFIPXVFZSA-N 400.950 5.086 0 40 HKAB O=c1c2ccccc2nc(CSc2nc3ccccc3o2)n1-c1ccccc1Cl 30835792 FKVUQFGRGWFSBS-UHFFFAOYSA-N 419.893 5.473 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 30943416 VZJSLJNVTLCUCC-UHFFFAOYSA-N 408.542 5.128 0 40 HKAB Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2Br)c1C 30947824 VTIPBQGJHMXUEP-NRFANRHFSA-N 407.311 5.837 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(OCc2ccccn2)c1 31456126 RGWMPPIGKPENGB-AWEZNQCLSA-N 417.292 5.373 0 40 HKAB CN(C)[C@H](CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccs1 32970899 LZVSWGHCBSKBLI-OAHLLOKOSA-N 408.445 5.060 0 40 HKAB CCOc1cc(C(=S)N2CCCCC2)cc(Cl)c1OCc1ccccc1F 33619458 HECYVFKFXUNJEC-UHFFFAOYSA-N 407.938 5.618 0 40 HKAB Cc1ccc(Cn2c3ccccc3c3ncn(Cc4ccccc4Cl)c(=O)c32)cc1 35400291 ZCYYJRLBRAUUDH-UHFFFAOYSA-N 413.908 5.410 0 40 HKAB O=C(COc1cccc(-c2noc(-c3cccc(F)c3)n2)c1)Nc1ccc(Cl)cc1 40488329 JBKUAYFEOMOWPV-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB COc1ccc(CCC(=O)N2CCC(c3cccc(Cc4ccccc4)n3)CC2)cc1 72349353 HCYGFQGFFUJNGZ-UHFFFAOYSA-N 414.549 5.020 0 40 HKAB Cc1cnc(Nc2cccc([C@@H]3CCCN3Cc3c(C)nn(C(C)C)c3C)n2)s1 72375801 WRPFEYVMCRERBK-FQEVSTJZSA-N 410.591 5.321 0 40 HKAB COc1ccc(Sc2ccc(NC(=O)c3cc4c(C)nn(C)c4s3)cc2)cc1 95349137 KVDMRYLHEDQCHP-UHFFFAOYSA-N 409.536 5.355 0 40 HKAB Cc1cccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccncc5)cn34)n2)c1C 96038092 CXCPEIUSZAVOSR-UHFFFAOYSA-N 407.477 5.056 0 40 HKAB CCC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H]4CC[C@H](CCC)CC4)cc3F)cc2)CC1 100003499 SRJLZDPWUSOULH-XCWGHNLNSA-N 420.656 9.641 0 40 HKAB Cc1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccc(Cl)cc4)CC(O)=C32)cc1 100426701 WFAQSZPZOCFMGZ-SIBVEZHUSA-N 414.936 7.277 0 40 HKAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N[C@@H]5CCOc6ccccc65)(C4)C2)C3)cc1 100789129 QFWITFLQFYLGDQ-JFQLSMTMSA-N 417.549 5.173 0 40 HKAB CCCNC(=O)Nc1nc(C23C[C@@H]4C[C@H](CC(c5ccc(C)cc5)(C4)C2)C3)cs1 101132806 YPDRVCJKCVJVLY-RDNZODCXSA-N 409.599 5.773 0 40 HKAB CCCCCOC(=O)c1cccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)c1 102636875 FMWOIJKYVCOUMP-UEVCKROQSA-N 419.521 5.107 0 40 HKAB CCOc1cccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c1 107559455 APVISIHTUDBRMO-UHFFFAOYSA-N 419.864 5.764 0 40 HKAB CC[C@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(OC)cc1 216435198 NUPSDQCTWLAFCC-DEOSSOPVSA-N 405.563 6.177 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Oc1ccccc1 223022846 QWYBDZRNCSJTDA-XMMPIXPASA-N 401.506 6.154 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 223032163 SLUNHTSNAVHJMK-WOJBJXKFSA-N 417.933 5.233 0 40 HKAB O=C(NCCOc1ccc2ccccc2c1)c1ccccc1SCc1ccccc1 223607544 PZHDVIHICZCTSL-UHFFFAOYSA-N 413.542 5.941 0 40 HKAB Fc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1 224175438 NJWXYRWPZMCGOL-PKTZIBPZSA-N 414.509 5.189 0 40 HKAB O=C(C1CCCCC1)N1CCS/C1=C/c1csc(Nc2ccc(F)cc2)n1 225254605 XFWXHYHFLHRJFR-LDADJPATSA-N 403.548 5.480 0 40 HKAB Cc1cccc([C@@H](NC(=S)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)c1 225699670 NISRCVGDPOYTBA-FQEVSTJZSA-N 400.469 6.090 0 40 HKAB O[C@@H]1CCCC[C@H]1N(Cc1ccccc1)Cc1cn(Cc2ccccc2)c2ccccc12 226644165 TYXBYAIWRNBADF-FQLXRVMXSA-N 424.588 5.995 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)COc4cccc(C)c4C)ccc3o2)c(C)c1 408621969 OAKMIWJOTKPHOR-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 408624065 XAOHLGMUQNQHRT-UHFFFAOYSA-N 402.519 6.104 0 40 HKAB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccccc2Cl)C(=O)O)n[nH]1 408631608 KSBFRVZUGMXUNR-NVNXTCNLSA-N 422.293 5.005 0 40 HKAB COc1cccc(/C=C2/N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)c1 408839170 OFECPKZNLZOQSI-RIYZIHGNSA-N 404.274 5.561 0 40 HKAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 408926802 WNGFDPQGFQMBDH-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCc1cc(Br)cc(C)c1NC(=O)COc1ccccc1-c1ccccc1 409133497 UHXRAKOWSJGGAZ-UHFFFAOYSA-N 424.338 6.004 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)cc1 409136910 UAFNHTZVETZYOY-OYRJNNPGSA-N 408.545 6.544 0 40 HKAB O=C(Nc1nc(C2C3CC4CC(C3)CC2C4)cs1)c1cc2ccccc2oc1=O 811413 ZQNAOIFKIGCUDU-UHFFFAOYSA-N 406.507 5.042 0 40 HKAB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)cc1 990945 PIESDDFFPWUPJO-UHFFFAOYSA-N 401.849 5.595 0 40 HKAB CC1=C(C#N)[C@@H](c2ccccc2)C2=C(C[C@@H](c3ccc(Br)cc3)CC2=O)O1 1070318 YIMAAXDLENHIHZ-HTAPYJJXSA-N 420.306 5.761 0 40 HKAB O=C(Oc1ccc(C2CCCCC2)c(OC(=O)c2ccccc2)c1)c1ccccc1 1609740 LPZFLHOQQVFSAW-UHFFFAOYSA-N 400.474 6.173 0 40 HKAB C1=C(C2=Cc3ccccc3Sc3ccccc32)c2ccccc2Sc2ccccc21 2187529 MFEVQCSXORYSQI-UHFFFAOYSA-N 418.586 8.397 0 40 HKAB CCCCn1nc(NC(=O)c2ccccc2OCC)c2cc3cc(C)ccc3nc21 2334961 OOISSADMCHQHSI-UHFFFAOYSA-N 402.498 5.344 0 40 HKAB CC[C@H](C)COC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 2387012 AMPFKJZIGKUGHT-AWEZNQCLSA-N 422.916 5.071 0 40 HKAB O=C(N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 2678289 PNQNULKKWXJJFG-AWEZNQCLSA-N 412.531 5.532 0 40 HKAB Cc1ccc(-n2c(SCc3c(F)cccc3Cl)nc3c(c2=O)SCC3)cc1 2719806 IYYWXNPITRVTCG-UHFFFAOYSA-N 418.946 5.274 0 40 HKAB CCC(=O)NCCSc1c(-c2ccc(Br)cc2)[nH]c2ccccc12 2721213 ZODBLEZKLCEJTR-UHFFFAOYSA-N 403.345 5.216 0 40 HKAB COc1cc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c(OC)cc1Cl 2762990 GYSDCWAFPYKVNX-UHFFFAOYSA-N 422.868 5.726 0 40 HKAB Cc1ccc(C(=O)O)cc1NC(=O)c1sc2cc(OC(F)F)ccc2c1Cl 2793191 DPYVIOSMPOUGPJ-UHFFFAOYSA-N 411.813 5.415 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)c1ccccc1 3243875 UUUNPSVWHWLRSI-UHFFFAOYSA-N 407.445 5.188 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(C)n1Cc1ccccc1 3332571 WIKRJADZIGYGRB-IAGOWNOFSA-N 408.571 5.268 0 40 HKAB Nn1c(Cc2cccc3ccccc23)nnc1SCc1ccc(Cl)c(Cl)c1 3333638 YOIDSXDOHVLDJM-UHFFFAOYSA-N 415.349 5.335 0 40 HKAB aggregator Cc1ccc(CN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C(=O)c2cccc(C)c2)cc1 4231046 HWBZNJLEQVLMPX-UHFFFAOYSA-N 424.544 5.604 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@@]4(O)[C@@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4293030 UJDBZVSBLYRMDU-MTTFXIPSSA-N 418.706 6.830 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC)c(O)c2)N3)C1 4554556 NNXNEHWXYZHHOE-DJJJIMSYSA-N 400.544 5.432 0 40 HKAB CC1=CC[C@H](C(=O)O)[C@H](C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)C1 4576738 RIZCELMIGUAXHK-ZWKOTPCHSA-N 406.507 5.267 0 40 HKAB Cc1ccc(-c2nnc3sc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)nn23)cc1 4664982 QLHXJKKRCJVYBE-UHFFFAOYSA-N 404.583 6.423 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2[C@@H](C)C(=O)O)cc1 4782797 ZBAJNPCKUSKXJT-UPCLLVRISA-N 410.473 5.162 0 40 HKAB Cc1ccc2ncc3c(-c4ccc(Br)cc4)nn(-c4ccccc4)c3c2c1 4970342 RZCNLMKEPJMUNN-UHFFFAOYSA-N 414.306 6.312 0 40 HKAB Clc1ccc(Cc2cn3cc(-c4ccc(Br)cc4)nc3s2)cc1 5012418 CLEHKHVAMBNOSA-UHFFFAOYSA-N 403.732 6.070 0 40 HKAB CCOc1ccc2nc(N(Cc3ccccn3)C(=O)CCc3ccccc3)sc2c1 5265157 LNNUWHBALZBZFF-UHFFFAOYSA-N 417.534 5.256 0 40 HKAB Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)NCc1ccco1 5532093 RVQCMCGZOWPHGP-UHFFFAOYSA-N 411.288 6.040 0 40 HKAB Nc1nc(=S)[nH]c2sc3c(c12)C[C@H](c1ccccc1)S[C@H]3c1ccccc1 5650135 NYQMACXJRIQVAL-WBVHZDCISA-N 407.589 6.056 0 40 HKAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)cc1 5866774 BFSIJSAXNZWIBY-OAHLLOKOSA-N 411.527 5.415 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1 6022974 POPIGVPICCZRBD-UHFFFAOYSA-N 420.512 7.198 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5)cc4)ccc3o2)cc1C 6033464 SVHRNAXIEQSPAT-UHFFFAOYSA-N 418.496 7.031 0 40 HKAB CC[C@H](C(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1)c1ccccc1 6669255 RJQQNXMHSAEHNH-ICSRJNTNSA-N 409.917 5.290 0 40 HKAB Cc1ccc(C)c(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 6965550 CGYZPIWIOBQCLB-UHFFFAOYSA-N 408.929 5.895 0 40 HKAB COc1ccc(CNCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 7538295 OTRUXFQMFNXLKD-UHFFFAOYSA-N 402.321 5.871 0 40 HKAB CCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1C1CC1 7618176 FRKQSCBRRVKHSA-HXUWFJFHSA-N 406.555 5.264 0 40 HKAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 8232077 NAMLTTIOWYIQPJ-QFIPXVFZSA-N 418.493 5.298 0 40 HKAB COc1cccc2c1CCc1cc3cc(Br)cc(Br)c3nc1-2 8782195 KPVWJIGWQLAJEU-UHFFFAOYSA-N 419.116 5.534 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1 9063349 BUKPBDXRCLMPDH-UHFFFAOYSA-N 404.941 5.858 0 40 HKAB CC(C)(C)C(=O)Nc1c(-c2cc(=O)oc3cc4c(cc23)CCC4)oc2ccccc12 9306341 IPSWXBYSBJOUDP-UHFFFAOYSA-N 401.462 5.680 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 9390546 FAKKDLYTBCFFET-UHFFFAOYSA-N 419.905 5.921 0 40 HKAB Cc1ccccc1N(C(=O)Cc1ccc2c(c1)OCCO2)c1nc2ccccc2s1 9609033 WCMUHXWQWFTJMG-UHFFFAOYSA-N 416.502 5.283 0 40 HKAB COc1ccc(C)cc1NC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc12 11866427 NANVWLIUIAPEHF-UHFFFAOYSA-N 401.462 5.890 0 40 HKAB biogenic Clc1ccc(-c2nnc3sc(-c4cc(-c5ccccc5)on4)nn23)c(Cl)c1 12408447 XNEGGNYIIZJLNX-UHFFFAOYSA-N 414.277 5.482 0 40 HKAB O=C(Nc1ccccc1N1CCOCC1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 12534046 GDLDFBYOPYPPKC-UHFFFAOYSA-N 416.399 5.054 0 40 HKAB C[C@H](N[C@H](C)C(=O)Nc1ccccc1-c1ccccc1)c1cccc(C(F)(F)F)c1 12918870 GHBMLWWGWMINFP-DLBZAZTESA-N 412.455 6.050 0 40 HKAB COc1ccc2cc(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)ccc2c1 12935860 INWWUUFIZYCHOQ-UHFFFAOYSA-N 403.309 5.226 0 40 HKAB Cc1cc(C)c(NC(=O)Cc2csc(NC(=O)c3ccc(Cl)cc3)n2)c(C)c1 16994098 MKRCWQOQOBSUHK-UHFFFAOYSA-N 413.930 5.155 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c(Cl)c1 17092535 PFBDLSRWHXPACE-UHFFFAOYSA-N 420.940 6.451 0 40 HKAB O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1cc2ccccc2s1 19198282 BRSQRWNFHFPYCS-UHFFFAOYSA-N 421.297 5.132 0 40 HKAB COCc1cc(CN2CCC[C@@H]2c2cc(-c3cn[nH]c3)cc(C)n2)ccc1OC(C)C 19690788 JMQXYXIXNAOWLQ-XMMPIXPASA-N 420.557 5.051 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 20049469 QYJUDZAPFYDSAV-OAHLLOKOSA-N 408.272 6.522 0 40 HKAB COc1ccc(-c2nc(-c3cc4cc5c(C)c(C)oc5cc4oc3=O)cs2)cc1 20761636 YIYIUGXJFVLQPJ-UHFFFAOYSA-N 403.459 5.955 0 40 HKAB biogenic COc1ccc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(F)cc4F)c3c2c1 21017595 OTMMFMZBYNXNLQ-UHFFFAOYSA-N 405.379 5.667 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNC4CCCCC4)cc23)cc1 26440807 DXDLHUPKVWVLAN-UHFFFAOYSA-N 412.537 5.112 0 40 HKAB C[C@H]1Cc2cc(-c3cc(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)no3)ccc2O1 28287008 QYLBKIUIYCYSJB-JTQLQIEISA-N 422.790 5.590 0 40 HKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(I)cc1C 30752293 WCBGQAUZCQNTJB-KRWDZBQOSA-N 423.294 5.013 0 40 HKAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 32623199 MLSFYGAKARCOBC-AWEZNQCLSA-N 421.403 5.088 0 40 HKAB COc1ccc([C@@H]2CCCCCN2C(=O)CCc2ncc(-c3ccccc3F)o2)cc1 32882031 UTEYOSOHIFNLEE-QFIPXVFZSA-N 422.500 5.566 0 40 HKAB CCn1nc(C)c2c(C(=O)N3c4ccccc4C[C@H]3C)cc(-c3ccc(C)cc3)nc21 36616365 OTOIXKOFWYKRJI-QGZVFWFLSA-N 410.521 5.326 0 40 HKAB Cc1noc(C)c1CN(C(=O)c1ccc(COc2ccc(F)cc2)o1)c1ccccc1 36638372 VWDXFRNKIHESLP-UHFFFAOYSA-N 420.440 5.450 0 40 HKAB COc1ccc2[nH]c(SCc3ccc(C(=O)Nc4cccc(C)c4)cc3)nc2c1 36646429 MTBUJMUGRIQBNM-UHFFFAOYSA-N 403.507 5.425 0 40 HKAB Cc1ccc(C(=O)N2C(=S)C(c3ccc(C(C)(C)C)cc3)=NC23CCCC3)cc1C 45933050 XMNKBXIVLUVRHZ-UHFFFAOYSA-N 418.606 6.144 0 40 HKAB CCOC(=O)/C=C/c1ccc(NC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)cc1 48065837 GHLRPOLVQJHAON-KYIYGJGQSA-N 408.498 5.031 0 40 HKAB Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)[C@H](c3ccccc3)c3ccccn3)c12 48303672 OFSWKXMRWLNFCC-HSZRJFAPSA-N 424.460 5.048 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(SC)c1 49005119 AHIMVZXSCYTLNI-SFHVURJKSA-N 420.582 5.808 0 40 HKAB CCn1c(COc2cccc(C)c2C)nnc1SCc1ccc(Cl)cc1Cl 59176496 DCNAHEUYKFZAAG-UHFFFAOYSA-N 422.381 6.093 0 40 HKAB CCCOC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(Cl)cc(OC)c3o2)cc1 67339481 MBKOBMRDAXTMTJ-CMDGGOBGSA-N 413.857 5.314 0 40 HKAB O=C(Cc1ccccc1)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72357754 QYJWYJYXERTHSX-HSZRJFAPSA-N 424.466 5.597 0 40 HKAB Fc1cccc(Cl)c1CSc1nnc(-c2ccc(Cl)cc2)c2ccccc12 85565167 OOVOQJVBCXLCPQ-UHFFFAOYSA-N 415.320 7.035 0 40 HKAB CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccc(F)cc2)C12CCCCC2 96344588 LHNTWFNVWLXBPW-QHCPKHFHSA-N 422.544 5.040 0 40 HKAB OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc(Cl)cc2)C[C@@H](c2ccccc2)C1 100425677 VYHRPYQSAWOKNB-IQGLISFBSA-N 400.909 6.969 0 40 HKAB Brc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1cccs1)O2 101154758 OITZGPRIRGBLFZ-PXNSSMCTSA-N 411.324 5.753 0 40 HKAB Cc1ccc(/N=c2/ssc3c2-c2cc(Br)ccc2NC3(C)C)cc1 101537747 VTOLUOFVMTZEDK-DYTRJAOYSA-N 417.397 6.441 0 40 HKAB CCOc1cc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc4ccccc4n32)ccc1O 102894579 PQWZZEDSCCVWDT-QFIPXVFZSA-N 403.482 5.448 0 40 HKAB CCc1nnc(S/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)O)o1 213411076 GDLMZQZYJHESDU-ZSOIEALJSA-N 411.266 5.417 0 40 HKAB O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1ccc(Br)cc1 214908357 ORVIVVBYBCGRDG-AQHRCUNFSA-N 400.297 5.242 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(OCCSc2ccccc2)cc1 216404839 HEMBVUGSOWSNDX-UHFFFAOYSA-N 418.345 6.417 0 40 HKAB COc1ccc(CCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 219842881 OZRVQIYVYJLENN-UHFFFAOYSA-N 409.913 5.290 0 40 HKAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1 222540360 DNNJYJAPHBAXNX-UHFFFAOYSA-N 422.550 5.196 0 40 HKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 222962268 ZCYNDVDCDAQHFV-XMMPIXPASA-N 400.522 6.227 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1ccc(OC(C)C)cc1 223040655 GWXKQJYILQEFEL-VWLOTQADSA-N 409.570 5.259 0 40 HKAB O=C(COc1cccc2c1CCCC2)NCCSCc1ccc(Cl)cc1Cl 223153457 QHGMMEGDZRSHPL-UHFFFAOYSA-N 424.393 5.301 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)NCCOc1ccccc1Cl 223442923 NYDSHQGILWLYJL-UHFFFAOYSA-N 404.746 5.075 0 40 HKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1COc1ccccc1 224083882 WLJAYJJKFYBRBY-UHFFFAOYSA-N 416.304 5.511 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)NCc1ccccc1CN1CCCC1 224800031 KFMPURXXPLEZPL-UHFFFAOYSA-N 402.991 5.125 0 40 HKAB Cc1cc(NC(=S)NCCSc2ccc(Cl)cc2)ccc1Br 225287908 AQGSLKLZIVFAFA-UHFFFAOYSA-N 415.809 5.490 0 40 HKAB C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCC(Cc2ccccc2)CC1 225438142 KDLMOKFNTGUPHP-INIZCTEOSA-N 424.928 5.143 0 40 HKAB biogenic,in-vitro C[C@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 225520265 YSWZGBCBLCZHGB-FQEVSTJZSA-N 424.560 5.529 0 40 HKAB Cc1ccc([C@@H](NC(=S)Nc2ccc3c(c2)OCCO3)c2ccccc2)c(C)c1 225768282 HUAHYHRFOQRXSE-QHCPKHFHSA-N 404.535 5.151 0 40 HKAB CC(=O)OCC(=O)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3 263602059 LVFYHUIQUAZOKG-NIJLDMAFSA-N 414.586 5.437 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)C(=O)c1c(-c2ccccc2)cc2ccccn12 408623374 STMPVCOXSSNPRL-UHFFFAOYSA-N 409.272 5.735 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(Cl)cc2)cc1 408698761 PEXYFWLWUBUEBC-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB O=C(Nc1ccc2ccccc2c1)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 408698868 SKHLTMYNPRISMY-UHFFFAOYSA-N 408.436 5.479 0 40 HKAB Cc1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)c1 408721940 BMSRRILMIRYUSW-UHFFFAOYSA-N 404.922 6.691 0 40 HKAB CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OC 408903229 WAXLTBRSBGZTAI-HTMJNSLASA-N 417.914 5.767 0 40 HKAB COc1ccc(CCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1OC 408906959 LBKGQPYQSYFMDH-HEHNFIMWSA-N 421.924 5.257 0 40 HKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)c2ccccc21 409109622 IHJCKMGFFVZTBB-ZHZULCJRSA-N 421.899 6.355 0 40 HKAB Cc1cccc(C)c1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409129916 LFIVQOVFNUYDPB-RCIHXYLASA-N 422.572 6.852 0 40 HKAB Cc1cccc(OCc2nn(CC(=O)Nc3ccc(Cl)cc3Cl)c(=S)o2)c1 409153667 IKQLNGZBYZXSHS-UHFFFAOYSA-N 424.309 5.039 0 40 HKAB O=S(=O)(Oc1ccc(CNc2ccccc2Cl)cc1Cl)c1ccccc1 409184181 XTNOBTCVSHPIFW-UHFFFAOYSA-N 408.306 5.373 0 40 HKAB CCCCc1ccc(C(=O)N[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)C(C)C)cc1 1505840590 WWBIYKLJAWQBSA-HXUWFJFHSA-N 420.475 5.441 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)c(Cl)c4)nc3c2)cc1 677417 PYUHLCRLHIEXAR-UHFFFAOYSA-N 406.873 5.033 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1 1012737 NXSUPNPIZILUKC-UHFFFAOYSA-N 408.523 5.450 0 40 HKAB Cc1cccc(C(=O)N(Cc2ccccc2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)c1 1366393 PZAZICWMHNVOPN-UHFFFAOYSA-N 410.517 5.296 0 40 HKAB CC(C)c1nc(SCC(=O)c2cccs2)c2c3c(sc2n1)C[C@H](C)CC3 1375692 PWTDTJXCFJKDHQ-GFCCVEGCSA-N 402.610 5.976 0 40 HKAB COc1ccc(-c2c/c(=N\c3ccc(OC)cc3OC)c3cc(C)ccc3o2)cc1 1927725 UHDCYHMHGUXGFE-XTCLZLMSSA-N 401.462 5.666 0 40 HKAB O=c1oc2cc3occ(-c4ccc(Br)cc4)c3cc2c2c1CCCCC2 2094743 SWEHIQSERCNLLW-UHFFFAOYSA-N 409.279 6.238 0 40 HKAB biogenic CC(C)(C)c1ccc(-c2nnc(NC(=O)c3ccccc3Br)s2)cc1 2188952 LUCLAIDPCYHSSS-UHFFFAOYSA-N 416.344 5.517 0 40 HKAB Clc1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1 2270227 GVBFYEFMPAVMIF-UHFFFAOYSA-N 401.680 7.049 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Br)C1(c2ccccc2)CCCC1 2512658 ZZVUVCBDPRWSFK-UHFFFAOYSA-N 412.249 5.918 0 40 HKAB CCCCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccc(OC)cc1 2661217 QRJUAEIVWWJIAY-UHFFFAOYSA-N 420.538 5.210 0 40 HKAB CC(C)(C)c1cc(C(=O)OCC(=O)Nc2cccc3ccccc23)cc(C(C)(C)C)c1 3218202 KALVKNDWGKBCMJ-UHFFFAOYSA-N 417.549 6.230 0 40 HKAB CC(C)(C)c1cc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)cc(C(C)(C)C)c1 3226600 NDYYQGHYTLKQAG-UHFFFAOYSA-N 417.549 6.230 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 3296396 SARHDPBKBASXBI-MRXNPFEDSA-N 404.510 5.356 0 40 HKAB aggregator CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2C[C@@H]1[C@H]1C(=O)CCC(=O)[C@H]13 4029043 JPGGQHZUOUAFHK-IXUWWIPVSA-N 412.570 5.060 0 40 HKAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccccc1OCc1ccc(F)cc1 4498570 SYJQFDUZDXJXMY-QNGOZBTKSA-N 424.541 5.137 0 40 HKAB c1ccc(C2(c3ccccc3)OC(c3ccccc3)(c3ccccc3)c3ccccc32)cc1 4722995 GFKWNKDRODJUHB-UHFFFAOYSA-N 424.543 7.301 0 40 HKAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCCc4ccccc4)c(C)c3cc2c1C 5235691 ZWZXBIBXHPVODN-UHFFFAOYSA-N 417.505 5.064 0 40 HKAB CC(C)c1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1 5460490 PDPKECKHHQQXIH-LADGPHEKSA-N 401.941 6.959 0 40 HKAB CCCN(CCC)C[C@@H](O)c1cc(-c2ccccc2)nc2c(Cl)cc(Cl)cc12 5499311 KKMSOYXAWZGFCG-JOCHJYFZSA-N 417.380 6.364 0 40 HKAB O=C(c1ccc2ccccc2c1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 5577049 ISHIFSZRHHZUOA-QFIPXVFZSA-N 400.865 6.078 0 40 HKAB O=C1/C(=C/Nc2cccc(Cl)c2)c2ccccc2C(=O)N1c1ccccc1Cl 6455168 PMWLGKLXFVRRNM-QGOAFFKASA-N 409.272 5.633 0 40 HKAB COc1cccc(NCc2nnc(SCc3ccccc3)n2C2CCCCC2)c1 6586972 MTMXSFPYUJTWAK-UHFFFAOYSA-N 408.571 5.696 0 40 HKAB CCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(C)c(C)c2)cc1 7393101 SENNSKXZVZCPGP-UHFFFAOYSA-N 412.489 6.117 0 40 HKAB CCC(=O)N1c2ccccc2[C@@H](N(C(=O)Cc2cccs2)c2ccccc2)C[C@H]1C 8570014 XOWFNNZQWHRYMI-JPYJTQIMSA-N 418.562 5.600 0 40 HKAB O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CCC[C@H](c2nc3ccccc3s2)C1 8733816 VPGMEQXEEXRTLE-ZDUSSCGKSA-N 424.909 5.076 0 40 HKAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc21 8958875 MDZWWPMUBDCKEU-UHFFFAOYSA-N 420.431 5.119 0 40 HKAB COc1ccc(-c2nc(CC(=O)Nc3ccc(Cl)cc3Cl)cs2)cc1OC 9476707 ITMJDRGSPUVHCF-UHFFFAOYSA-N 423.321 5.315 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)c1 9633046 RLLGOONXQSPHRW-UHFFFAOYSA-N 420.563 5.343 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccc1Sc1ccccc1 9643521 KAIJXQXYDJSFIK-UHFFFAOYSA-N 419.531 5.619 0 40 HKAB COc1cccc2sc(N(Cc3ccco3)C(=O)CSCc3ccccc3)nc12 10611935 RZROEVJQDKWIPI-UHFFFAOYSA-N 424.547 5.365 0 40 HKAB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccc(-c4ccccc4)cc3)oc2c1 12562982 IPEGDNBJIBLJKO-SGEDCAFJSA-N 411.505 5.277 0 40 HKAB C[C@@H](NC(=O)CSc1nccc(C(F)(F)F)n1)c1ccc(-c2ccccc2)cc1 12790618 MWHMFDSQLNCECG-CQSZACIVSA-N 417.456 5.132 0 40 HKAB COc1ccc(N2C(=O)C=C(c3ccc(F)cc3)/C2=C/Nc2ccc(Cl)cc2)cc1 12952218 AYKJWSPMOMQGSU-HAHDFKILSA-N 420.871 5.871 0 40 HKAB O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)c1ccccc1C(F)(F)F 13695049 CFDBKSMJXICYOT-UHFFFAOYSA-N 402.416 5.037 0 40 HKAB O=c1/c(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)sc2nc3ccccc3n12 14011248 HRVFMNCQPQZHHR-LICLKQGHSA-N 413.285 5.024 0 40 HKAB Cc1ccc(C)c(C(=O)CCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)c1 14136572 ZNUBMOFPJJIRNP-HSZRJFAPSA-N 409.576 5.564 0 40 HKAB COc1ccc(CCNC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)cc1 16044364 WYARTTXUSJHSMA-CSVUYUCVSA-N 417.593 5.509 0 40 HKAB Nc1ccc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 17088421 SHSVIMPWCGAGAM-UHFFFAOYSA-N 410.351 5.430 0 40 HKAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N(C)Cc4ccsc4)cc3)ccc12 17805704 QEVWRHOKXZPMFI-UHFFFAOYSA-N 419.502 5.014 0 40 HKAB Cc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCCCC2)cc1 20381370 MQJCCLISFZTILX-UHFFFAOYSA-N 400.931 5.020 0 40 HKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@]43C)[C@H]2C1 39942005 LIIFBMGUDSHTOU-YZUYMEKQSA-N 424.713 8.377 0 40 HKAB Cn1c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c(Cl)c2ccccc21 40144471 CTQBEBGEJJUKMD-UHFFFAOYSA-N 419.916 5.069 0 40 HKAB CCCCOc1ccc(-c2cc3c(SCc4ccc(Cl)cc4)nccn3n2)cc1 45925380 KWTXJSONPHONHB-UHFFFAOYSA-N 423.969 6.521 0 40 HKAB CCc1cc2c(-c3ccccc3)cc(=O)oc2c2c1OCN(Cc1ccc(F)cc1)C2 55396194 YWEYLAQXHXWVEI-UHFFFAOYSA-N 415.464 5.514 0 40 HKAB aggregator Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1cccc(Cl)c1C 67297042 FOORLMBEKQVOIB-PNHLSOANSA-N 402.881 6.188 0 40 HKAB CCCc1cc(-c2nc(C)c(C(=O)Nc3nc(-c4ccccn4)cs3)s2)ccn1 71280231 GYLPXNZJQXWKND-UHFFFAOYSA-N 421.551 5.237 0 40 HKAB O=C(Nc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1)c1ccco1 71760851 FLPNKVZHZCPFLG-UHFFFAOYSA-N 421.400 5.239 0 40 HKAB C[C@@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 78817078 KWVISVAMQJWJSZ-XPMUQOCRSA-N 413.646 5.287 0 40 HKAB endogenous,in-man CC[C@@H](NC(=O)Nc1ccccc1SC1CCCC1)c1nnc2n1CCCCC2 79019567 APEKQMTVOZFTSD-QGZVFWFLSA-N 413.591 5.312 0 40 HKAB Cc1ccc(-c2cnc(CCC(=O)N3CCCCC[C@@H]3[C@H]3CCCCC3=O)o2)cc1 79066666 LBMGXKCVHZKJJW-NHCUHLMSSA-N 408.542 5.113 0 40 HKAB Cn1c(=O)c(C(=O)C[C@H](Sc2ccccc2)c2ccccc2)c(O)c2ccccc21 100362336 PJVUBIULUDDBIY-QFIPXVFZSA-N 415.514 5.351 0 40 HKAB Cc1ccc([C@@H]2CC3=Nc4ccccc4N4C(=O)c5ccccc5[C@H]4C3=C(O)C2)cc1 100424174 RUYMIXHFMUVAQO-DWXRJYCRSA-N 406.485 6.172 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)ccc21 108858522 LGDNQEAWHIVSPJ-OKZBNKHCSA-N 404.510 5.122 0 40 HKAB CO[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CC[C@@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H]3C[C@]312 135626716 PHBGJYMVKYLDRS-METNKUIYSA-N 414.718 7.979 0 40 HKAB COC(=O)c1c(C)n(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c2ccccc12 216893043 YZMGZCAQHIITIA-LBPRGKRZSA-N 406.265 5.151 0 40 HKAB COC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1C 219765059 LYAFZJUKQAHTPX-UHFFFAOYSA-N 409.869 5.266 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc2ccccc2c1 223639849 QFTURMVPKVLSQC-XMMPIXPASA-N 405.538 5.490 0 40 HKAB Cc1cccc(OCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1C 223937486 OUQWWXOBZSDWQA-UHFFFAOYSA-N 409.913 5.345 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccccc1C(C)C 224230761 CXYLDIRBHDRESK-UHFFFAOYSA-N 405.494 5.659 0 40 HKAB O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 224535136 GQWQAGRUKSXOCH-UHFFFAOYSA-N 419.956 5.177 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCC2)c1 224974371 YXAIGGQMBRESDT-IBGZPJMESA-N 408.542 5.151 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 225174207 WYRPZBLWBIRTDB-UHFFFAOYSA-N 424.378 6.023 0 40 HKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1C 225341372 ALOJNMWRHKNBCA-XZOQPEGZSA-N 420.582 5.001 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCCCCC1 225711579 VJUSYBBCSVREQK-UHFFFAOYSA-N 416.606 5.255 0 40 HKAB O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl)c1cc2ccccc2o1 226287629 FVIOLWJATOEYOA-UHFFFAOYSA-N 402.837 5.499 0 40 HKAB COC(=O)c1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 247847735 QEBJONZHHABPSV-ADGIFASQSA-N 402.321 6.077 0 40 HKAB Cc1ccc(CN2C(=O)S/C(=C\c3cc(C)n(-c4cccnc4)c3C)C2=O)cc1 409053224 NDTVPRWMMNZIKO-MTJSOVHGSA-N 403.507 5.034 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)cc1)c1ccccc1 409112392 FYZFGCFPDZBYDM-MRXNPFEDSA-N 424.953 5.562 0 40 HKAB COc1cccc(-c2nc3ccccc3s2)c1OCc1ccc(Cl)cc1Cl 409266226 PWZIZIRULMKWBR-UHFFFAOYSA-N 416.329 6.858 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 1848355112 DEENXPBKRZDDCK-VWLOTQADSA-N 413.496 5.199 0 40 HKAB COC(=O)c1sccc1NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 668466 QWXYXUGQSGPWLO-UHFFFAOYSA-N 402.475 5.311 0 40 HKAB aggregator Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NC(=O)/C=C/c3ccccc3)c2)c1 683291 PEVZAMJWAYTZEI-DHZHZOJOSA-N 404.897 5.861 0 40 HKAB CCc1ccc(NC(=O)c2cc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)cc1 848694 ZKVZPRMIYMKCRE-UHFFFAOYSA-N 424.426 5.538 0 40 HKAB aggregator COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1OC 1104846 ZAGOTOAMBSWXGK-UHFFFAOYSA-N 416.477 5.888 0 40 HKAB O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1)c1cccc(Cl)c1 1366298 JFVOVDLYJQMJBY-UHFFFAOYSA-N 423.925 5.015 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2cccc(C)c2)c1 1439687 BMPUZHHUJKQWIF-UHFFFAOYSA-N 414.534 5.282 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(=O)O)cc1 2060218 ZZJMGALGEWSUIJ-UHFFFAOYSA-N 409.507 5.672 0 40 HKAB Cc1nnc2c3c4c(sc3ncn12)[C@H](c1ccccc1)S[C@H](c1ccccc1)C4 2349354 ZYIZZRZMXVJXGX-ICSRJNTNSA-N 414.559 5.767 0 40 HKAB Cn1c(SCc2ccccc2)nnc1-c1cccc(NC(=O)c2ccccc2)c1 2358066 HHFOXAMZIBGDJT-UHFFFAOYSA-N 400.507 5.027 0 40 HKAB CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)[C@@]31Nc2ccccc2S1 2432500 IJGAUJYKWUYEJA-CLJLJLNGSA-N 412.558 5.892 0 40 HKAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1cccc(Cl)c1Cl 2657994 PXSURSAXHLQGRQ-UHFFFAOYSA-N 411.339 5.319 0 40 HKAB Cc1cccc(C)c1NC(=O)NC[C@@H]1C[C@@H](NC(=O)Nc2c(C)cccc2C)C1(C)C 3171922 XTUGKZFYRKYJNY-VQTJNVASSA-N 422.573 5.278 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3cccc(Cl)c3)c3ccccc3n2)cc1 3230117 NGHCBTNZIMOVHF-UHFFFAOYSA-N 415.876 5.903 0 40 HKAB C[C@@H](Sc1ncnc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1 3246408 BESUXKIYYJBBFL-MRXNPFEDSA-N 401.491 5.541 0 40 HKAB Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)Nc3cccc(Cl)c3)s2)c1 3313114 CWSNDVLGEBDIER-LBPRGKRZSA-N 404.948 5.363 0 40 HKAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccc(F)c(Cl)c1 3318637 CCDSYSFMGVTZSK-UHFFFAOYSA-N 416.232 5.282 0 40 HKAB O=C(CCCOC(=O)c1cc(Cl)ccc1Cl)c1ccc(Br)cc1 3360093 NPPLWTJTACPVJH-UHFFFAOYSA-N 416.098 5.576 0 40 HKAB CC[C@@H](c1nnc(S[C@H](C)C(=O)c2ccc(C)cc2)n1Cc1ccccc1)N(C)C 3552231 FKLCIHAIQIMVTK-NQIIRXRSSA-N 422.598 5.011 0 40 HKAB COc1cc(OC)c2nc(C)c3c(c2c1)N(c1ccc(Oc2ccccc2)cc1)CC3 4050310 GLHHBLOLVYBZPQ-UHFFFAOYSA-N 412.489 6.047 0 40 HKAB CCc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)cc1 4200733 HIGYYQQXKUOTEH-UHFFFAOYSA-N 409.536 5.030 0 40 HKAB CC(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CCCC2)cc1 4240707 RFNNOJLJOBVIQL-DEOSSOPVSA-N 422.569 5.588 0 40 HKAB Cc1ccccc1C(=O)n1nc(-c2cccnc2)nc1NCc1ccc(C(C)C)cc1 4732489 NDHYHKKNKOTPHI-UHFFFAOYSA-N 411.509 5.073 0 40 HKAB ClC(Cl)(Cl)[C@@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 4733880 QPZSAVAYKSCRPA-LJQANCHMSA-N 404.724 6.117 0 40 HKAB biogenic CCc1cc2ccc(C)c(C)c2nc1SCC(=O)Nc1nc2c(s1)CCCC2 4849420 JGQAEEQWKPYDJX-UHFFFAOYSA-N 411.596 5.480 0 40 HKAB Cc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(Cl)c(Cl)c4)c3c2c1 4969921 UVCXUFAYSVHYCW-UHFFFAOYSA-N 404.300 6.856 0 40 HKAB CCN(CC)c1ccc(-n2c(-c3ccc(OC)cc3)nc3nc4ccccc4nc32)cc1 5021708 DARPFTURKHNIRQ-UHFFFAOYSA-N 423.520 5.491 0 40 HKAB Cc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2ccccc2C)c2ccc(C(C)C)cc2)cc1 5451689 AWFPYTJTGJSNGS-MHZLTWQESA-N 412.533 5.698 0 40 HKAB CC(C)(C)c1cc(-c2nnc(SCc3ccccc3)s2)cc(C(C)(C)C)c1O 5481520 RMLBGVSSTKYBJG-UHFFFAOYSA-N 412.624 6.798 0 40 HKAB O=C(CNc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)Nc1ccccc1 5636942 PFDWTOWSBZNCTN-UHFFFAOYSA-N 413.399 5.008 0 40 HKAB Cc1ccc(COc2ccc(/C=C3/N=C(c4cccc(Cl)c4)OC3=O)cc2)cc1 5794260 BAFWKCLUMYJFHO-LPYMAVHISA-N 403.865 5.572 0 40 HKAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1 6263839 VERYIZJPWDWUGZ-UHFFFAOYSA-N 409.313 5.366 0 40 HKAB O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(C(=O)c2ccccc2)cc1 6306395 VEDMMVMWYNZHSB-UHFFFAOYSA-N 419.524 5.870 0 40 HKAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H](NCc1ccccc1)c1ccc(Cl)cc1 6495915 GMNRLJPAUDTNRK-SBTPEUDISA-N 408.973 5.256 0 40 HKAB COC(=O)c1ccc(NC(=O)c2oc3ccccc3c2CSC2CCCCC2)cc1 6579590 TUKRDKDIICIRMT-UHFFFAOYSA-N 423.534 6.038 0 40 HKAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 6648903 VTAHURIDEIIZAI-UHFFFAOYSA-N 403.482 5.475 0 40 HKAB CC(=O)N(c1nc(CSc2nncs2)cs1)c1c(C)cc(C)cc1Cl 7194355 YXTQJYCMKFZLJY-UHFFFAOYSA-N 410.977 5.242 0 40 HKAB CCN(CC)c1ccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c(C)c1 7415758 WDCCURFNXMBJPA-UHFFFAOYSA-N 418.566 5.778 0 40 HKAB O=C(Nc1ccc(F)cc1)[C@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1 7471705 MEBFHTCXBADPMO-LJQANCHMSA-N 404.470 5.083 0 40 HKAB Nc1c(C(=O)N2CCCC2)sc2nc3c(c(-c4ccco4)c12)CCc1ccccc1-3 8036212 FPUVDCKATGQHDA-UHFFFAOYSA-N 415.518 5.140 0 40 HKAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1csc(-c2ccccc2)n1 8039513 NARVDEFVHQVFDL-UHFFFAOYSA-N 415.522 5.047 0 40 HKAB CC(C)c1cc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc23)on1 8316366 LIVKSAVDGXKUSL-UHFFFAOYSA-N 410.524 5.201 0 40 HKAB Clc1ccc(COc2ccc(Br)cc2CNCc2cccnc2)cc1 8419367 OLAJPQLBMSZVHV-UHFFFAOYSA-N 417.734 5.366 0 40 HKAB C[C@@]12CC3CC(NCc4ccccc4OCc4ccccc4Cl)(C1)C[C@](C)(C3)C2 8534559 BEZVFBCVYLQSTC-JZHSQQRGSA-N 410.001 6.758 0 40 HKAB COc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(F)cc1 8534859 KGFOZVNKIQVAQS-BYMHFINISA-N 423.572 6.108 0 40 HKAB Cc1nc2c(-c3ccccc3)c(C)nn2cc1C(=O)Nc1cccc(C(F)(F)F)c1 8559366 BLBIDNRYKJHHFA-UHFFFAOYSA-N 410.399 5.284 0 40 HKAB O=C1N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc2[C@@]1(O)c1c[nH]c2ccccc12 8722579 LVXFPMDTEDZVPF-HSZRJFAPSA-N 423.299 5.257 0 40 HKAB COCCOC(=O)c1c(C)n(CCC2=CCCCC2)c2c1cc(O)c1ccccc12 8782989 XOPVRRBQWLCQBK-UHFFFAOYSA-N 407.510 5.502 0 40 HKAB biogenic,in-vitro C[C@@H]1CCc2c(sc3nc(SCc4ccc(Br)cc4)[nH]c(=O)c23)C1 8897474 PWFQUIROLKJJKD-SNVBAGLBSA-N 421.385 5.164 0 40 HKAB COc1ccc(Br)c(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1 9058209 MBDFNKGDRKIUFM-UHFFFAOYSA-N 422.282 5.253 0 40 HKAB COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@H]2C(C)=C(C)C(=O)N2C(C)(C)C)c1 9095165 XLMJKDZHRADUIT-XMMPIXPASA-N 418.537 5.870 0 40 HKAB COc1ccc(CN(Cc2cccs2)C(=O)c2cc3ccccc3o2)cc1OC 10276270 QZTIQAIDYFSQKW-UHFFFAOYSA-N 407.491 5.354 0 40 HKAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccc(-c2nc3ccccc3o2)cc1 10422504 CBCKYZQSWLORKK-UHFFFAOYSA-N 420.852 5.101 0 40 HKAB Cc1nc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cccc(Cl)c1 12640272 HYTGQBFQIXAAMU-UHFFFAOYSA-N 406.294 5.263 0 40 HKAB O=C([C@H]1Cc2ccccc2O1)N(c1ccc(Cl)cc1)c1nc2ccccc2s1 12762414 JPEYKGFPWATIPI-LJQANCHMSA-N 406.894 5.618 0 40 HKAB C[C@H](N[C@H](C)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)c1ccco1 12819718 YPCWSPVXXRAYII-JKSUJKDBSA-N 405.523 5.158 0 40 HKAB CCCc1noc([C@@H](C)Sc2nnc(-c3cccc(C)c3)n2Cc2ccco2)n1 12890838 XVGYZIVRMPYOHX-OAHLLOKOSA-N 409.515 5.084 0 40 HKAB CCc1cccc(C)c1NC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1 13069612 UFYXHKQHRKGQDX-CCEZHUSRSA-N 422.532 5.516 0 40 HKAB CC(C)c1ccc(Nc2nnc(SCC(=O)N3C[C@@H](C)C[C@@H](C)C3)s2)cc1 13138014 PLBZUZVYVVMRTL-GASCZTMLSA-N 404.605 5.002 0 40 HKAB CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)cc1 13658358 LDVHAMXWJILUCY-QFIPXVFZSA-N 424.632 7.732 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)CCSCc1ccccc1 13688012 GQPDGBJWFMKZCY-UHFFFAOYSA-N 407.604 6.549 0 40 HKAB Cc1ccc(NC(=S)Nc2ccc(I)cc2)cc1Cl 13786679 VIFSZIKWPYGNKO-UHFFFAOYSA-N 402.688 5.062 0 40 HKAB COc1ccc(Cn2nc(-c3cccc(OC)c3)cc2-c2cccc(OC)c2)cc1 17081895 FMMXYWGPEKETDZ-UHFFFAOYSA-N 400.478 5.291 0 40 HKAB Cc1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1Cl 17087591 FGEMSAAGYYOWMW-UHFFFAOYSA-N 407.124 6.243 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc2c(C)ccc(C)c2s1 17087610 PHIQUSCYMMOJQY-VOTSOKGWSA-N 407.322 5.880 0 40 HKAB Cc1cccc(CN2CCC[C@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c34)C2)n1 19236214 DLRCOHYZKZSFFR-HNNXBMFYSA-N 418.463 5.448 0 40 HKAB CC[C@H](C)Oc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1 21580708 HGOWXEGPOQKZGQ-INIZCTEOSA-N 415.493 5.668 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)NCc1cc(-c2cc3ccccc3o2)on1 22768732 ISJMQHSQMLTIAM-UHFFFAOYSA-N 417.248 5.090 0 40 HKAB COc1cccc(OCc2ccc(C(=O)Nc3ccc(Br)cc3F)o2)c1 28224998 UDNKAVFKJFJYMO-UHFFFAOYSA-N 420.234 5.021 0 40 HKAB COc1ccc(OC)c(-c2csc(-c3nnn(-c4cccc(Cl)c4)c3C)n2)c1 38487149 CVBUTIGJKKZIPS-UHFFFAOYSA-N 412.902 5.037 0 40 HKAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 39754767 QCMHVRYLSRNBNU-UHFFFAOYSA-N 414.549 5.425 0 40 HKAB Brc1cc(-c2ccccc2)cc2nc(-c3cccc(-n4cnnc4)c3)oc12 45920506 BPXDNPXMNGASFG-UHFFFAOYSA-N 417.266 5.505 0 40 HKAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1cccnc1SC1CCCCC1 72217331 WZGUZSFFCMDKGX-JOCHJYFZSA-N 410.583 6.370 0 40 HKAB O=C(Nc1ccc2oc(C3CC3)nc2c1)c1nc(Cl)c(Cl)c(Cl)c1Cl 84489931 LMRLFTJHJFMCNT-UHFFFAOYSA-N 417.079 5.966 0 40 HKAB CCc1cc(=O)c2cc(NC(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3Cl)ccc2[nH]1 95465576 YRCYWRARVHBICE-HUUCEWRRSA-N 401.293 5.140 0 40 HKAB CCCCN(CC)C(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96038154 RDZYPVKYXVZWLI-UHFFFAOYSA-N 404.489 5.193 0 40 HKAB O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 96627140 SKUOIQOQRKKGSP-HNNXBMFYSA-N 412.839 5.089 0 40 HKAB CC[C@H](C)c1ccc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)c3ccccc32)cc1 102898308 SGFHLRPSNVGEPX-WYZSWBMLSA-N 424.544 6.457 0 40 HKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3c(O)ccc4ccccc34)o2)cc1C 107846457 AWQWYGNMAPJGCF-UHFFFAOYSA-N 416.502 5.549 0 40 HKAB O=C1S/C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1Cc1ccc(F)cc1 214201783 RTHAEKOEMMFJHL-HYARGMPZSA-N 419.477 5.641 0 40 HKAB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(OC)c1 214815822 REQHXAYFQHKDHU-CAOOACKPSA-N 424.305 5.247 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(OC)cc3)c2)cc1 224270888 UJRMUZNWHQYQPA-UHFFFAOYSA-N 419.521 5.878 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C1CCCC1 225026361 AYCZNKBIKWXXJH-FCHUYYIVSA-N 423.969 5.910 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 225364571 YELYHCMMWOKOPP-IQJJTXKVSA-N 418.562 5.322 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3F)c2)cc1 225447169 MPPJXXGTEBZHLL-UHFFFAOYSA-N 404.485 5.557 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C 225557081 TVGUYXNUJODEKI-UHFFFAOYSA-N 406.353 6.541 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225703281 PTUWNONDOSOZEY-RDPSFJRHSA-N 404.595 5.254 0 40 HKAB Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3ccc(Br)cc3)oc12 226270521 OYFLQFYBBLVZJT-UHFFFAOYSA-N 413.193 5.091 0 40 HKAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Sc1nc(-c3ccccc3)c(-c3ccccc3)o1)C2=O 226774695 UTQZKCXZZKAKBJ-PZGSVQSZSA-N 403.547 6.495 0 40 HKAB COc1ccc(OCCNc2cccc([C@@H]3CCCN(C4CCCCC4)C3)n2)cc1 257229692 FZDVERMHOFTTGY-HXUWFJFHSA-N 409.574 5.093 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(CSCc2ccccc2)cc1 408770842 BDQSLPVPOHPNOU-UHFFFAOYSA-N 402.346 6.679 0 40 HKAB CC(C)(C)c1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)cc(C(C)(C)C)c1O 408987017 UPLNVFYSQOVHMQ-UHFFFAOYSA-N 410.583 6.243 0 40 HKAB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)C1=O 409065022 KHVNAOJPCSVQQB-WOJGMQOQSA-N 417.914 5.292 0 40 HKAB Fc1ccc(-n2c(Cc3ccccc3)nnc2SCCCc2ccccc2)cc1 409099189 SKMWMDIOLZMGOA-UHFFFAOYSA-N 403.526 5.722 0 40 HKAB CCc1ccc(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1 827038 SQMUHLHQKLETCK-UHFFFAOYSA-N 416.428 5.291 0 40 HKAB CC1(C)SC(=S)N(c2ccccc2)[C@@H]1N(O)C(=O)Nc1ccc(Cl)cc1 850725 CCUNMQIPDIGFLY-OAHLLOKOSA-N 407.948 5.206 0 40 HKAB Cc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)ccc1Br 854698 NXXYRSNYJRMXBQ-UHFFFAOYSA-N 405.679 5.627 0 40 HKAB O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)Nc1ccc(N2CCCC2)cc1 1332382 LAFIHHYCGGPNIU-UHFFFAOYSA-N 424.957 5.128 0 40 HKAB Cc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)NC2CCCCC2)cc1 1378212 YUXWIGGHBRAQRX-UHFFFAOYSA-N 417.553 5.189 0 40 HKAB O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1Cl 1382126 KIKBHKHQKQDVRN-UHFFFAOYSA-N 404.684 5.400 0 40 HKAB Cc1nc(C(=O)Nc2ccccc2C(F)(F)F)nn1-c1cc(Cl)cc(Cl)c1 1385742 JSPHYJJIQSPOQA-UHFFFAOYSA-N 415.202 5.154 0 40 HKAB COc1ccc(C(=O)NCC(C)(C)Sc2ncc(C(F)(F)F)cc2Cl)cc1 1403539 MDEHJBJAOWDFFH-UHFFFAOYSA-N 418.868 5.063 0 40 HKAB c1ccc(-n2c(SCc3nc4ccccc4s3)nnc2-c2cccnc2)cc1 1454307 KHQMXRLFMNISNO-UHFFFAOYSA-N 401.520 5.231 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc21 2050902 RRPQRDYCTYJLEW-UHFFFAOYSA-N 400.522 6.129 0 40 HKAB Cc1ccc(-c2cc(C(=O)N[C@@H]3CCCc4ccccc43)c3ccccc3n2)c(C)c1 2089853 LIPXXYCHJRGIDY-RUZDIDTESA-N 406.529 6.326 0 40 HKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2cc(Cl)cc(Cl)c2)cc1 2245482 VNAXFZVECPRTLE-UHFFFAOYSA-N 405.288 6.251 0 40 HKAB COc1ccccc1Cn1cc2c(-c3ccc(F)cc3)nnc-2c2cc(F)ccc21 2690125 MRACWQRJXBHRDT-UHFFFAOYSA-N 401.416 5.538 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N4CCCCC4)ncnc32)cc1Cl 2714206 FYHXAOCDEOPZKJ-UHFFFAOYSA-N 402.929 6.040 0 40 HKAB COc1ccccc1NCN1C(=O)S/C(=C\c2c(Cl)cccc2Cl)C1=O 3067933 RVUVAZXPPVVACX-SXGWCWSVSA-N 409.294 5.108 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc3cc(OC)ccc3c2)sc2c1CCCC2 3212549 VYPPKNLZVVOBOH-UHFFFAOYSA-N 409.507 5.218 0 40 HKAB Cc1sc2nc(CSCCOc3ccc(Cl)cc3Cl)[nH]c(=O)c2c1C 3385604 FCXZJRZYSKSHRG-UHFFFAOYSA-N 415.367 5.220 0 40 HKAB S=C(Nc1cccc(Br)c1)N1CCn2cccc2[C@@H]1c1ccccc1 4059419 OEAAJWZOERAQEG-IBGZPJMESA-N 412.356 5.053 0 40 HKAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2C(F)(F)F)CSC3)cc1 4176080 WSFRTUNBZBMZBF-UHFFFAOYSA-N 403.429 5.199 0 40 HKAB CC(C)c1nc(SCc2cc(=O)[nH]c3ccccc23)c2c3c(sc2n1)CCCC3 4218045 BKGYCENGOHJBHD-UHFFFAOYSA-N 421.591 5.827 0 40 HKAB COc1cccc(NC(=S)N(CCc2nc3ccccc3[nH]2)C2CCCCC2)c1 4858974 GFTXSAMPVXRTHB-UHFFFAOYSA-N 408.571 5.146 0 40 HKAB Cc1ccc2c(c1)C(c1ccccc1)(c1ccccc1)N(c1ccccc1)S2(=O)=O 4991646 TWAODYDCWOXTDX-UHFFFAOYSA-N 411.526 5.496 0 40 HKAB COc1ccccc1[C@@]1(CCN[C@@H](C)c2ccc(Cl)cc2)CCO[C@@H](C(C)C)C1 5024397 DZYXLXFXKIWHKF-OWAUWMPXSA-N 416.005 6.162 0 40 HKAB C=C1c2cc3c(cc2CCN1C(=O)/C=C/c1ccc(Cl)cc1Cl)OCCCO3 5388888 WATIIAJPGXUAHX-GQCTYLIASA-N 416.304 5.224 0 40 HKAB CC(C)c1ccc(CN2C[C@H](C(=O)Nc3ccc(Cl)cc3Cl)CC2=O)cc1 5522908 ZBWKTONLUIDGGK-MRXNPFEDSA-N 405.325 5.104 0 40 HKAB CCCCCOc1ccc(C(=O)OCC(=O)c2ccccc2Br)cc1 6078979 IBAAZGAKUPTRTR-UHFFFAOYSA-N 405.288 5.058 0 40 HKAB Cc1c(C)n(-c2ccccn2)c2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c12 6719241 URFLEGXMSSWICL-UHFFFAOYSA-N 409.280 5.054 0 40 HKAB COc1cc(CNCC(C)C)cc(Br)c1OCc1ccccc1Cl 6883537 YKHXFGFFPMURJY-UHFFFAOYSA-N 412.755 5.436 0 40 HKAB COc1ccc(Nc2ccc(Nc3ncnc4sc5c(c34)CCCCC5)cc2)cc1 8150732 URHCLEUJPJSYQF-UHFFFAOYSA-N 416.550 6.456 0 40 HKAB Cc1cc(C)cc(N(C(=O)[C@@H]2COc3ccccc3O2)c2nc3ccccc3s2)c1 8276328 QBANFNNLCVYJHU-NRFANRHFSA-N 416.502 5.418 0 40 HKAB CCOc1ccc2ccccc2c1CN[C@@H](CCSC)c1nc2ccccc2[nH]1 8345238 VMTVOQFIRXSBIE-QFIPXVFZSA-N 405.567 5.699 0 40 HKAB Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2)C1 8636073 FCDQXMONLNNSBI-FYYLOGMGSA-N 414.553 5.846 0 40 HKAB biogenic,in-vitro COc1cccc(-c2ccc3c(N)c(C(=O)Nc4cccc(SC)c4)sc3n2)c1 9086397 WRMIDQZRGVVLNY-UHFFFAOYSA-N 421.547 5.528 0 40 HKAB Cc1ccc(NC(=O)CCN2C(=O)c3ccccc3[C@@H]2c2c(C)[nH]c3ccccc23)cc1 9095192 QURYUBBMFJBQGU-AREMUKBSSA-N 423.516 5.359 0 40 HKAB COC(=O)c1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 9683256 ZUABDYRBTPAEGX-FQEVSTJZSA-N 419.868 5.378 0 40 HKAB COc1ccc(Cl)cc1Nc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1 10386473 ULZASSYMNMDAHB-UHFFFAOYSA-N 420.687 5.528 0 40 HKAB CCCCOc1ccc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)cc1 11613890 QOMPMXPQYIVZBD-UHFFFAOYSA-N 412.507 5.212 0 40 HKAB Cc1ccc(NC(=O)Cc2nc(CSc3cc(C)c4ccccc4n3)cs2)cc1 12550336 ZIEZIOAWQUZZGL-UHFFFAOYSA-N 419.575 5.782 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1 12630909 XRBSGYJKUVMBEK-UHFFFAOYSA-N 422.484 6.526 0 40 HKAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc(Cl)cc1Cl 12998831 IQINNJNEUZXTNS-LJQANCHMSA-N 423.390 5.703 0 40 HKAB CCCN(Cc1ccccc1)C[C@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 13148521 HYMPGDWOKWJSBN-DEOSSOPVSA-N 411.630 6.052 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1cccc(NC(=O)c2cccs2)c1 14201934 OQYHLFMFMZRTFW-CQSZACIVSA-N 421.547 5.443 0 40 HKAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1Oc1ccccc1Cl 14229848 BTPOWVRIRNJNTJ-UHFFFAOYSA-N 408.841 5.069 0 40 HKAB CN(C(=O)COc1ccccc1Cl)[C@H](c1cccs1)c1c[nH]c2ccccc12 15835579 VGCDMMYMMHJBHM-QFIPXVFZSA-N 410.926 5.510 0 40 HKAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2Cl)o1 16039337 RYTPEQQOLSFIHJ-SWLSCSKDSA-N 411.955 5.627 0 40 HKAB CCCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1 16751090 KDODJVQSFDNXKV-HSZRJFAPSA-N 419.521 5.707 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3o2)cc1 17091360 ZAYOMKDAFCQWAT-UHFFFAOYSA-N 418.321 5.751 0 40 HKAB Cc1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1C 17091771 OQEGAGFOURSNBU-UHFFFAOYSA-N 419.333 5.997 0 40 HKAB c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCN3Cc3ccccn3)n2)cc1 19373255 VJZOICIJHLFQDG-QHCPKHFHSA-N 408.509 5.014 0 40 HKAB CCOc1ccc(CC(=O)N2CCC[C@H]2c2cc(-c3ccccc3)cc(C)n2)cc1 19690685 LKBBMUBFSZKXDL-VWLOTQADSA-N 400.522 5.362 0 40 HKAB CCc1ccc2oc(-c3ccc(OC)c(OC)c3)c/c(=N\[C@@H](CC(C)C)C(=O)O)c2c1 19793968 GPDBZEHGXHPIDN-HOIQBIFOSA-N 423.509 5.079 0 40 HKAB CC(C)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 19893566 QTOCPACSSHFGOY-KIMHZCHSSA-N 412.327 6.128 0 40 HKAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(Br)cc1 20138290 YNHJESSQZMPVDU-UHFFFAOYSA-N 406.663 5.107 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)O)c(Cl)cc3Cl)o2)cc1Cl 20140304 JLXQGJPWEIJIST-UHFFFAOYSA-N 424.667 6.166 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccc(CO)o2)cc1 20144719 MOWXBKUOOBCFCK-LBPRGKRZSA-N 406.265 5.152 0 40 HKAB Cc1ccc([C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c2ccccc2)cc1 20460667 BZSWKOYSHGDGER-NRFANRHFSA-N 420.361 5.511 0 40 HKAB Cc1ccccc1[C@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccccc1 20494110 QKBHRPVEPHFSSN-YADARESESA-N 407.941 5.938 0 40 HKAB CCc1ccc(CN(Cc2cccnc2)C(=O)Cc2csc(-c3ccco3)n2)cc1 24928818 KVFWQQNGXUSRBT-UHFFFAOYSA-N 417.534 5.132 0 40 HKAB O=C1CS[C@@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N1Cc1ccccc1 27061538 LFOADMWXVPYFFJ-FQEVSTJZSA-N 404.318 6.028 0 40 HKAB O=C(Nc1ccccc1Cl)Nc1nn(Cc2ccccc2F)cc1Br 28579566 GGVXEPKLWFETTO-UHFFFAOYSA-N 423.673 5.130 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 39759888 JWSPRHAKSPNEIE-UHFFFAOYSA-N 404.913 5.117 0 40 HKAB O=C(NCc1cc2cc(F)ccc2s1)c1ccccc1SC[C@H]1CCCO1 40135178 NAQMDRMVOAXAIB-MRXNPFEDSA-N 401.528 5.242 0 40 HKAB Cc1cccc(C)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079064 VTIPUOIBCSNCPH-UHFFFAOYSA-N 402.469 5.288 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2nn(-c3ccccc3)nc2c1 57351113 IMRLKSIAPANZIM-DTQAZKPQSA-N 406.445 5.332 0 40 HKAB O=C(Nc1c(Cl)ccc2nsnc12)c1ccc(-c2ccc(Cl)cc2Cl)o1 59294320 MXZALFJWNCKEQR-UHFFFAOYSA-N 424.696 6.164 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(-c2nc3ccccc3o2)cc1 59477571 LHLYCAFCJGMMOR-BMRADRMJSA-N 406.441 6.407 0 40 HKAB Cc1ccccc1-n1nc(-c2nc(-c3ccc(Cl)cc3)no2)c2ccccc2c1=O 64950196 HNZNCYQUMJIOBM-UHFFFAOYSA-N 414.852 5.065 0 40 HKAB Cc1ccc(Nc2ccccc2NS(=O)(=O)c2ccc(-c3coc(C)n3)cc2)cc1 78873628 QJHLTLXKKHHIDQ-UHFFFAOYSA-N 419.506 5.503 0 40 HKAB CC(C)(C)c1ccc([C@@H]2c3sc(=O)[nH]c3SC[C@H]2C(=O)Nc2ccccc2)cc1 96318929 SQUIFESTTXZYPU-MSOLQXFVSA-N 424.591 5.226 0 40 HKAB O=C(NCCCc1ccc(Cl)cc1)c1cccc(OCc2ccccc2Cl)c1 219842565 YRSDNNSWZBSWPW-UHFFFAOYSA-N 414.332 5.935 0 40 HKAB Cc1cccc(CSCC(=O)NCCSCc2c(Cl)cccc2Cl)c1 222737128 QSOMMFHWBIRLPQ-UHFFFAOYSA-N 414.423 5.585 0 40 HKAB CC[C@@H](NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccc2c(c1)CCCC2 223140479 SUVYSZLJEZWTAX-RUZDIDTESA-N 401.554 5.308 0 40 HKAB C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NCc3ccc(-c4ccccc4)o3)cn2)C1 223911371 VTDVHSFIGHIGBQ-ROUUACIJSA-N 420.582 5.311 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1COCC(C)C 224737851 AOHPSNQEBHIDFJ-UHFFFAOYSA-N 424.310 5.412 0 40 HKAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1ccc(Cl)cc1 224885381 KNUFAAPHRPLXPT-UHFFFAOYSA-N 405.679 5.329 0 40 HKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)c1 225061164 OPWIMWQHSGYWGQ-MRXNPFEDSA-N 413.568 5.162 0 40 HKAB COc1cc2c(cc1S(=O)(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CCCC2 225525731 BKTYRGCHCRWSSO-UHFFFAOYSA-N 419.852 5.047 0 40 HKAB Cc1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)cc1Cl 226343415 YVPOORLCZKFRLU-UHFFFAOYSA-N 400.501 5.717 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@H]3c2ccco2)cc1 245020878 MLMJVMYSDILOHF-RDPSFJRHSA-N 404.466 5.319 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(Cl)cc2)cc1 408700173 ZFQHMUUQGJSZTB-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB O=C(CSc1ccc(Cl)cc1)NCCSCc1ccc(Cl)c(Cl)c1 408910355 KGFBVFQKLSSAPU-UHFFFAOYSA-N 420.814 5.789 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nc3c(s2)CCc2cc(OC)c(C)cc2-3)cc1 409051644 BUIZFNJLGNCFTR-UHFFFAOYSA-N 422.550 5.657 0 40 HKAB CN(Cc1ccccc1)C(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409112784 DATILWJQUJZDMO-CFHRKGSBSA-N 422.572 6.255 0 40 HKAB CCOc1ccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 409120727 SIDZMUQCHXSTSH-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB O=C(CSc1nc(-c2ccccc2)nc2ccccc12)Nc1ccc(F)c(Cl)c1 905786 KIIHDSMLUPMPGI-UHFFFAOYSA-N 423.900 5.820 0 40 HKAB COc1ccc(CN(Cc2cc3cccc(C)c3nc2Cl)C(=O)c2ccco2)cc1 1364899 GAQTYZBSLQBZNG-UHFFFAOYSA-N 420.896 5.641 0 40 HKAB COc1ccc(NC(=O)N(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C2CCCC2)cc1 1371612 QDADYKMTJKGGJC-UHFFFAOYSA-N 419.525 5.130 0 40 HKAB CC(C)c1nc(SCC(=O)N2CCCCCC2)c2c3c(sc2n1)CCCC3 1378862 MCLACDTZRLDRSY-UHFFFAOYSA-N 403.617 5.188 0 40 HKAB COc1cnc(-c2cccc(C(F)(F)F)c2)nc1Oc1cccc(C(F)(F)F)c1 1384033 RYIUETQRLULNFE-UHFFFAOYSA-N 414.305 5.982 0 40 HKAB Cc1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2n1C1CCCCC1 1440294 LWEXIEVLWYTYOQ-UHFFFAOYSA-N 413.974 6.234 0 40 HKAB CCOC(=O)c1c(C)n(-c2ccc(OC)c(Cl)c2)c2ccc(OC(=O)CC)cc12 1522217 CQBPMTIPIIUNMT-UHFFFAOYSA-N 415.873 5.093 0 40 HKAB Cc1cnc(SCc2ccc(Cl)cc2)nc1Nc1ccc(Cl)cc1Cl 1679419 WCKPOKNKTUOYAL-UHFFFAOYSA-N 410.757 6.781 0 40 HKAB CCC(=O)N(CC[C@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccc(OC)cc1 1797981 COVJIFILRBKASE-VWLOTQADSA-N 411.586 6.051 0 40 HKAB biogenic O=C(c1ccc(Cl)cc1)c1cc(Cl)c(C(=O)c2ccc(Cl)cc2)cc1Cl 1885819 MSDZSEZZHXPPTE-UHFFFAOYSA-N 424.110 6.762 0 40 HKAB CC(C)(c1ccccc1)c1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 2079314 HLOISYGRMURJHY-UHFFFAOYSA-N 421.345 6.087 0 40 HKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2)cc1Cl 2255244 SHPKBIHNWDEBRD-UHFFFAOYSA-N 405.837 5.578 0 40 HKAB CCCSc1nc(SCCC(C)C)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2376338 OMRSINFYRRRXNT-FQEVSTJZSA-N 410.674 6.573 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1 2430373 FKGRSZGVOCTRFW-UHFFFAOYSA-N 403.482 5.357 0 40 HKAB Cc1cc(C(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)c(C)n1C 2624067 HUKSXNHFQIRFPS-UHFFFAOYSA-N 420.513 5.004 0 40 HKAB Cc1ccc(-n2c(SCc3ccccc3Cl)nc3c(c2=O)SCC3)cc1 2719807 WESTXDZCOOUDAY-UHFFFAOYSA-N 400.956 5.135 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cc(Cl)ccc4Cl)c3)oc2c1 3033648 VOOVIWKFEDURRT-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)NC1CCCCC1 3164566 ANMCDQHFGWEVEO-QLBLWQCWSA-N 420.320 7.662 0 40 HKAB O=C(Cc1c(F)cccc1Cl)Nc1nc2ccc(SC(F)F)cc2s1 3235885 PFOKXJIKAPMFRD-UHFFFAOYSA-N 402.850 5.585 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)o1 3345473 GUVABWATEOHFPE-LSDHHAIUSA-N 411.527 5.378 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(OC(F)F)c4)cc3)sc2c1 3423275 MOELZYSEFNMGNG-UHFFFAOYSA-N 410.445 6.125 0 40 HKAB FC(F)(F)c1cccc(Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)c1 3668315 ROVZGQNUHIBCAO-UHFFFAOYSA-N 402.485 7.620 0 40 HKAB CCOc1cc(C(=O)Nc2nc3cc(C)cc(C)c3s2)cc(OCC)c1OCC 4331445 FHGULGKUWSAEDC-UHFFFAOYSA-N 414.527 5.362 0 40 HKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OCc4ccccc4)c2)N3)C1 4571598 AOCLSSMMNJRLMN-IVZQSRNASA-N 404.535 5.881 0 40 HKAB CC(C)(C)c1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc(C(C)(C)C)c1 4660909 LWIQALLGKPGYHM-UHFFFAOYSA-N 414.398 6.389 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2cccnc2)cc1 5093448 TWPYXEFZYWBSRI-RBBKRZOGSA-N 410.304 5.939 0 40 HKAB CCc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)cc1 5255032 GPGFCWKFTBXKQU-ATIYNZHBSA-N 414.505 5.509 0 40 HKAB Cc1cccc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2ccccc2)n1 5303011 HQSJDAVVWIQTDN-OAQYLSRUSA-N 416.864 5.208 0 40 HKAB Cc1cccc2c(=O)c(-c3cccc4ccccc34)c(NC(=O)c3cccs3)oc12 5451206 RLXKXOUSPSOCPH-UHFFFAOYSA-N 411.482 6.235 0 40 HKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1CC 5478371 BPTJBSDVZYOUGU-UHFFFAOYSA-N 422.598 5.556 0 40 HKAB Cc1cccc(NC(=O)NC[C@@H]2C[C@@H](NC(=O)Nc3cccc(C)c3C)C2(C)C)c1C 6217536 IOHOOSISEDKQAW-SIKLNZKXSA-N 422.573 5.278 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C3SCCS3)cc2)CC1 6931496 YCKOZJDROODPCJ-UHFFFAOYSA-N 419.015 5.089 0 40 HKAB CCN(CC)Cc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 6949759 BKDYOIVIWAIPKJ-UHFFFAOYSA-N 417.336 6.348 0 40 HKAB Cc1ccc(C)c(-n2cnnc2SCC(=O)N[C@H](C)c2cccc3ccccc23)c1 7020186 TWUZSQAUDGEALA-GOSISDBHSA-N 416.550 5.007 0 40 HKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c(C)c1 7343597 MYGSYPJDLMHNHJ-FQEVSTJZSA-N 413.496 5.361 0 40 HKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)c(C)c1 7928015 PKLXKLVVTBEGOR-LJQANCHMSA-N 400.478 5.087 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(N2CCCC2=O)cc1 8723492 QTFNJGKXHNDBFQ-UHFFFAOYSA-N 413.502 5.342 0 40 HKAB CSc1nsc(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)n1 9028171 ARAWHAPMZCDXKU-UHFFFAOYSA-N 417.968 5.573 0 40 HKAB Cc1cccc(NC(=O)[C@H]2CCCc3sc(NC(=O)c4ccccc4)nc32)c1C 9072119 ZXZIRQPDZAXMKS-KRWDZBQOSA-N 405.523 5.071 0 40 HKAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N[C@H](C)c1ccccc1Br 9513837 XUNFCYCCDFHPDY-GFCCVEGCSA-N 423.376 5.295 0 40 HKAB CC(C)(C)C(=O)Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccccc12 9518351 KXQCEQSFDFZHJO-UHFFFAOYSA-N 420.387 5.568 0 40 HKAB Cc1ccc(-c2cnc(CCC(=O)Nc3cc(Cl)c(N)c(Cl)c3)o2)cc1C 10431343 NSBSVQCWGCVYCT-UHFFFAOYSA-N 404.297 5.419 0 40 HKAB Cn1/c(=N\C(=O)C(c2ccccc2)c2ccccc2)sc2c3ccccc3ccc21 11852845 LFBVHOMLONPDDH-CYYJNZCTSA-N 408.526 5.652 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)C1C[C@@H]2CC[C@H](C1)C21SCCS1 12510632 GGRVMDNAJQOIAW-AYHJJNSGSA-N 402.629 5.228 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(OCc2ccccc2)cc1 13387923 VUKOZONDWBTURF-UHFFFAOYSA-N 420.468 6.326 0 40 HKAB COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)c(C)c2)cc1 13617785 DBIUCVDUKGCMFH-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2cccs2)cc1OC 14608039 METPTDWFJHDUNC-NRFANRHFSA-N 419.506 5.115 0 40 HKAB CCCOc1ccc(Br)cc1C(=O)Nc1cccc(Cl)c1Cl 14651854 WJRDBVUOLXORRZ-UHFFFAOYSA-N 403.103 5.797 0 40 HKAB Cc1ccc(CSc2nc(NCc3ccco3)cc(-c3ccc(C)cc3)n2)cc1 15859175 IQKGZJDZAFTEMD-UHFFFAOYSA-N 401.535 6.258 0 40 HKAB CC(C)c1ccc2oc(-c3cc(NC(=O)c4cccc(F)c4)ccc3Cl)nc2c1 16575972 UGHKFZLQVITVRA-UHFFFAOYSA-N 408.860 6.663 0 40 HKAB CCc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(CC)cc4)cc23)cc1 16841688 IYOKSWHLHALQNO-UHFFFAOYSA-N 416.550 5.252 0 40 HKAB CCCCc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 17091594 MQQGDUVUJPMUGW-UHFFFAOYSA-N 418.562 5.735 0 40 HKAB C[C@@H]1C[C@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)Cc1ccccc1 17094050 IEFDTMLPNKVZHH-IBVKSMDESA-N 424.544 5.539 0 40 HKAB O=C1[C@@H]2CC[C@@H](c3ccccc3)C[C@H]2C(=O)N1c1cc(C(F)(F)F)ccc1Cl 17988445 UZVJZEBIAJGTMG-FVQBIDKESA-N 407.819 5.432 0 40 HKAB Cc1ccc2oc(-c3ccc(C(C)C)cc3)c/c(=N\[C@@H](C(=O)O)c3ccccc3)c2c1 19911699 DGLZJVRRKRIOOI-HRSXBQGWSA-N 411.501 6.258 0 40 HKAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(F)c(Oc3ccccc3)c1)NCC2 20506926 LDMXEAMEMHPUAB-VWLOTQADSA-N 407.485 5.651 0 40 HKAB CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nn12 20609620 IEZRVBKJETYRSB-UHFFFAOYSA-N 419.554 5.355 0 40 HKAB Cc1ccc(NC(=O)[C@@]2(Nc3ccc(C)cc3)Sc3cc(C)ccc3NC2=O)cc1 27300050 ALBSHYHWYHWOOW-XMMPIXPASA-N 417.534 5.103 0 40 HKAB COc1cccc(OCc2ccc(C(=O)Nc3ccc(C)cc3Br)o2)c1 28226611 VQPZRXXEDORVDB-UHFFFAOYSA-N 416.271 5.190 0 40 HKAB Cc1nc(NC(=O)c2cccc(Cl)c2)sc1-c1nc(-c2ccc(F)cc2)no1 31815459 DIBGSCMJXPFNAU-UHFFFAOYSA-N 414.849 5.213 0 40 HKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@]21C 36372114 HXZHKSJRLUJGSY-KVBNRHEQSA-N 404.591 5.325 0 40 HKAB COc1ccccc1NC(=O)CN[C@@H](c1ccc(CC(C)C)cc1)c1cccs1 57323154 CVPKTNWCJYWVAT-DEOSSOPVSA-N 408.567 5.273 0 40 HKAB C[C@H](N[C@@H](c1ccccc1)c1cccs1)C(=O)Nc1cccc(Br)c1 57593865 LAWMZDSMQXGDAW-LIRRHRJNSA-N 415.356 5.217 0 40 HKAB C[C@@H](NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(Cl)cc1Cl 58310690 FPGGXYCDRJBOMK-GFCCVEGCSA-N 418.280 5.721 0 40 HKAB CC(C)c1cc(C(=O)Nc2ccc(Sc3nncs3)cc2)c2ccccc2n1 65611053 DKXOJSMWRQNXKG-UHFFFAOYSA-N 406.536 5.613 0 40 HKAB O=C(c1cc2ccccc2oc1=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 72313402 BAITXEHXPVYVCH-GOSISDBHSA-N 401.384 5.179 0 40 HKAB Clc1ccc(Cl)c(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c1 73639946 MCVDOPSLNNTTKO-UHFFFAOYSA-N 419.105 7.231 0 40 HKAB O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1Oc1cccnc1 84500205 HDJVAOIGQFKPCG-UHFFFAOYSA-N 408.672 5.591 0 40 HKAB COc1ccc(NC(=O)O[C@H]2/C(=C/c3c(F)cccc3Cl)N3CCC2CC3)cc1 100325774 UQQUQBKBXMVRSY-DMMSUNFISA-N 416.880 5.172 0 40 HKAB COc1ccccc1NC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 100845322 XOEWGIOXIAIDSZ-POPDLAIHSA-N 424.544 6.244 0 40 HKAB CC[C@@H](C)C(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)[C@H](C)CC)c2ccccc21 101176319 WYDOYBRGEXKRFI-FIXDAVPBSA-N 406.570 5.978 0 40 HKAB Fc1ccc(C2=C[C@H](c3cccc(Br)c3)n3c(nc4ccccc43)N2)cc1 101642234 CSARALOZVJXCNR-OAQYLSRUSA-N 420.285 5.994 0 40 HKAB COc1cccc([C@@H]2N=C(Nc3nc4ccccc4o3)N=C3CC(C)(C)CC(O)=C32)c1 102660887 IPYVNGHDACDOBX-NRFANRHFSA-N 416.481 5.432 0 40 HKAB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@H](c4cccs4)C3=C(O)C2)cc1OC 102740095 XNGOKXJGXLVDES-FPTDNZKUSA-N 422.506 5.669 0 40 HKAB CC(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 118916195 ZONPAOQEAXCIKO-HBPVDZMISA-N 422.653 6.568 0 40 HKAB COc1ccccc1-c1ccc(CNc2ccc(CN3CCC(C)CC3)cc2)cc1 141525763 CKRCCDSAQHOCNT-UHFFFAOYSA-N 400.566 6.206 0 40 HKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(Cc4ccco4)c3C)N21 222682906 DCJAQUZZJNRZNH-BULFRSBZSA-N 406.555 5.121 0 40 HKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 222890257 GCRXTZBSEPXFMV-ZEQRLZLVSA-N 412.562 5.408 0 40 HKAB CC1(C)CCc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)ccc2O1 223658770 JKBMPYYOHVIBPU-UHFFFAOYSA-N 409.507 5.383 0 40 HKAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 224164505 MWFFWBUTLKBHRY-XMMPIXPASA-N 422.613 5.169 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COc3ccccc3)c2)cc1 224364894 VJGQFNSWEXXYEY-UHFFFAOYSA-N 419.477 5.093 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)CSCc3c(F)cccc3Cl)ccc21 225133841 IGMYUDCVMCUHKT-UHFFFAOYSA-N 424.950 5.308 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)c2ccccc2)c1 225561513 HIXSVWOAINQLNA-LJQANCHMSA-N 401.506 5.755 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCC2)ccc1OC(C)C 225681610 YKCRGMWTMGKFKE-UHFFFAOYSA-N 413.489 5.240 0 40 HKAB Fc1cccc(C[n+]2cc(Br)cc(-c3nc4ccccc4s3)c2)c1 226308181 XESOKXMEQKEXOZ-UHFFFAOYSA-N 400.296 5.201 0 40 HKAB CCCCc1ccc(NC(=O)C(=O)c2c(-c3ccc(F)cc3)cc3ccccn23)cc1 408679382 WHGZFNWRIOCGMB-UHFFFAOYSA-N 414.480 5.909 0 40 HKAB COc1cccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)c(C)c3)n2)c1 408697123 HQIMGAMBPPOOQO-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB CCOC(=O)C1=C(C)N=C(SCc2cccc3ccccc23)N[C@@H]1c1ccccc1 408992282 SSSCBFBQAFUROU-HSZRJFAPSA-N 416.546 5.611 0 40 HKAB O=C1S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1c1cccc(Cl)c1 409208090 AUDCBQUXKCSEGX-VGOFMYFVSA-N 410.676 5.049 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)C[S@](=O)[C@@H](c1ccccc1)c1ccc(F)cc1 576055757 FSDNFGYAPRTWEF-DWACAAAGSA-N 415.917 5.264 0 40 HKAB CC(=O)O[C@@H]1CC=C(C)CCCC(C)(C)[C@@H](OC(=O)c2ccc(O)cc2)C=C1C 1559556404 OLNKZJLTVQZYLK-YADHBBJMSA-N 400.515 5.342 0 40 HKAB COc1cccc(Nc2ccc3c(c2)CNCCCCCCCN3C(=O)C(C)C)c1 2037931579 SJCJJOXYDLFCTR-UHFFFAOYSA-N 409.574 5.482 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)N[C@@H](C)c4ccccc4)sc3n2)c1 661324 FQFNBATWBHZPQM-AWEZNQCLSA-N 403.507 5.045 0 40 HKAB Cc1cc(-c2nc3ccccc3o2)ccc1NC(=O)c1cccc(Br)c1 725333 IORWJBPLKVEAAY-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB Cc1cccc2c(SCC(=O)Nc3ccc(F)cc3)nc(-c3ccc(F)cc3)nc12 869025 WGTKDQLVGDIHBA-UHFFFAOYSA-N 421.472 5.614 0 40 HKAB COc1cc(-c2nc3ccc(Br)cn3c2NC2CCCCC2)ccc1O 904270 PJEOTSVYGJIYDM-UHFFFAOYSA-N 416.319 5.223 0 40 HKAB O=C(Nc1nnc(CCSc2cc(Cl)ccc2Cl)s1)c1cccs1 991205 DYETUTLADXKGGI-UHFFFAOYSA-N 416.380 5.494 0 40 HKAB Oc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(-c3ccc(F)cc3)cs2)cc1 1414073 FPDYRGQUCFAPJI-UHFFFAOYSA-N 405.376 5.526 0 40 HKAB CC/C(=C(/CC)c1ccc(OCCN(C)C)cc1)c1ccc(OCCN(C)C)cc1 1620712 NVYHSNNUKVAVQF-OCEACIFDSA-N 410.602 5.298 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)c3ccc(C)cc3)cc12 1787847 IJGZRMJULRSPIC-UHFFFAOYSA-N 400.430 5.804 0 40 HKAB biogenic COc1ccc(/N=c2\cc(-c3ccc(C(C)C)cc3)oc3ccc(C)cc23)c(OC)c1 1927839 GDMFNJVCTGHQTR-ZZIIXHQDSA-N 413.517 6.781 0 40 HKAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1cccc(OCc2ccccc2)c1 2079873 MJSUUNQCFISTLU-MTJSOVHGSA-N 424.283 5.917 0 40 HKAB CCN(CC)C(=O)CSc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3 2322112 LFSUKFFBPUMZBK-UHFFFAOYSA-N 411.596 5.198 0 40 HKAB Cc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)c(C)c1 2593180 OOXSWUYRFPBETM-UHFFFAOYSA-N 418.924 7.141 0 40 HKAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 2660793 KWPJUQYUTHVSML-OAHLLOKOSA-N 418.994 5.207 0 40 HKAB O=C(N[C@@H](Nc1ccccc1Cl)C(Cl)(Cl)Cl)c1cccc(Cl)c1 2688102 YVQMHMZKLBYEDU-CQSZACIVSA-N 412.531 5.532 0 40 HKAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2898917 SUPCPMDOJOWFFB-UDWIEESQSA-N 421.811 5.043 0 40 HKAB CCCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 3158146 CLNXQQQSJMXFRT-HDLCADABSA-N 423.512 5.262 0 40 HKAB biogenic CN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C1c1ccccc1 3437698 QTQYXRHOSGXTSW-NRFANRHFSA-N 417.896 5.086 0 40 HKAB Cc1c(-c2ccccc2Cl)noc1C(=O)Nc1ccc(Cc2ccncc2)cc1 4091224 SECVSACBELYYIL-UHFFFAOYSA-N 403.869 5.542 0 40 HKAB Fc1cccc(N2N=C(/C=C/c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)c1 4321495 GNPOFAYEOONMJJ-BZEHTCKPSA-N 411.307 7.153 0 40 HKAB S=C(c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)N1CCCCC1 4675471 XWCYANZAUHTMMG-UHFFFAOYSA-N 403.378 6.158 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1Cl 4703903 RCKPQRWRPJHJLD-UHFFFAOYSA-N 420.896 6.416 0 40 HKAB O=C(Nc1ccc(Cl)cc1)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 4719830 UKZHVWNLKHRWJB-HMAPJEAMSA-N 415.880 5.231 0 40 HKAB COc1ccc(-c2nc3ccc(Br)cn3c2Nc2ccc(C)cc2)cc1 4735137 YVRFKDNXKJDQGY-UHFFFAOYSA-N 408.299 5.824 0 40 HKAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)N2[C@@H](C)CCC[C@@H]2C)n1-c1ccccc1 4843398 HXTAHZCYGKCMSJ-BQFCYCMXSA-N 424.570 5.106 0 40 HKAB Cc1ccc(S(=O)(=O)NCC[C@H](c2ccccc2)c2ccc(OC(C)C)cc2)cc1 4956523 LLASHTWWDZVLJJ-RUZDIDTESA-N 423.578 5.283 0 40 HKAB C=C/C=C(C(\C)=C(/C)Cl)/N(C(=O)Nc1ccccc1OCC)C1=NCCCS1 4966991 KNWUUTFVCTZCDK-HKZXXLIDSA-N 419.978 6.015 0 40 HKAB CCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)Cc2ccccc2)c2ccccc21 5486015 SLNSERRUCFDIAS-NLFFAJNJSA-N 412.533 5.539 0 40 HKAB Clc1ccc(COc2ccc(-c3ccnc(-c4ccncc4)n3)cc2)c(Cl)c1 5769194 YGZPBZFNBKQDHS-UHFFFAOYSA-N 408.288 6.091 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnc(C2CCCCC2)o1)c1ccccc1 6373999 MYXMYGPVTFKAKO-JOCHJYFZSA-N 417.534 6.315 0 40 HKAB CCCCOc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(F)cc32)cc1 6480938 YGACIYIBENIDOZ-UHFFFAOYSA-N 405.448 5.578 0 40 HKAB CCOc1cc(-c2nc3ccccc3s2)ccc1OCc1c(F)cccc1Cl 6961189 MLPDXRBBMSIPRT-UHFFFAOYSA-N 413.901 6.734 0 40 HKAB COc1ccc(Br)cc1[C@@H]1Nc2c(C)ccc(C(=O)O)c2[C@H]2C=CC[C@@H]21 6965746 SMGIXUZTDDKXHN-PJSUUKDQSA-N 414.299 5.291 0 40 HKAB O=C(Nc1cccc(Br)c1)c1cccc(NC(=O)c2cccs2)c1 7125973 HARSQBPEARCCSX-UHFFFAOYSA-N 401.285 5.015 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4c(C)cccc4C)C3)cc2)c1 7928306 AALRBJWJZFEKAS-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB Cc1ccc2nc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)sc2c1 8072037 WDDRCSCIXJPUFM-UHFFFAOYSA-N 405.317 5.163 0 40 HKAB COc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1cccs1 8497330 BAQRAXNLYMJCNL-GXSYWRQXSA-N 411.611 6.030 0 40 HKAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(CSc2ccccc2)cc1C 8498263 HOONJKXFXOTHPJ-SFHVURJKSA-N 407.535 5.702 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CN1c1ccc(Cl)cc1 8755768 NLHDDRMWSBLKCJ-QGZVFWFLSA-N 419.887 5.398 0 40 HKAB COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)S[C@@H]2c2ccc(C)cc2)cc1 8917144 POOBMHPTQIRAMJ-WLGHQHAYSA-N 421.949 6.477 0 40 HKAB O=C(c1cc2c(F)cccc2s1)N(Cc1cccnc1)c1ccc2c(c1)OCO2 9515417 QPPUZDRKEWIDJN-UHFFFAOYSA-N 406.438 5.011 0 40 HKAB Brc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 12579807 BQACHTJVYRIJGM-FXAWDEMLSA-N 411.324 5.753 0 40 HKAB COc1ccc(NC(=O)c2ccc(NC(=O)c3cc4ccc(F)cc4s3)cc2)cc1 12764743 WPIZFNJRWCSJKA-UHFFFAOYSA-N 420.465 5.554 0 40 HKAB Cc1ccc(NC(=O)[C@@H](C)n2c(C)nc3sc(-c4ccccc4)cc3c2=O)c(C)c1 13009664 BNCWHNRHHQPVTE-MRXNPFEDSA-N 417.534 5.250 0 40 HKAB O=C(O)c1cnn(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1C(F)(F)F 13394797 QLQOGFPNPZXVTP-UHFFFAOYSA-N 408.188 5.020 0 40 HKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 13631115 SZQWHEJOYCRDBN-QHCPKHFHSA-N 416.521 5.362 0 40 HKAB CCCc1cc(OC(=O)c2ccc(Cl)cc2Cl)n(-c2nc3ccccc3[nH]2)n1 13639584 GAMHHTOPVFTXLV-UHFFFAOYSA-N 415.280 5.227 0 40 HKAB COc1ccc2cc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)c(Cl)nc2c1 14672857 INZDRZBQZRIKIF-HXUWFJFHSA-N 410.901 5.005 0 40 HKAB COc1ccc(-c2cc(NC(=O)c3cccnc3Cl)ccc2OC(F)F)cc1 15538996 TWPWGQVMFCHMFB-UHFFFAOYSA-N 404.800 5.264 0 40 HKAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2cccc(C)c2C)cc1 15880489 BWBHGAQEXCCLOX-UHFFFAOYSA-N 401.462 5.986 0 40 HKAB biogenic Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)COc1ccccc1C 16363024 OCAFWQOPBJNDHZ-UHFFFAOYSA-N 422.488 5.208 0 40 HKAB O[C@@H](CNCc1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccccc1 16477381 MZGZYWQHEUFECG-VWLOTQADSA-N 417.936 5.895 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(Cl)c4)nccn3n2)cc1 17051570 UXYMPAIYQAKGOU-UHFFFAOYSA-N 422.941 5.397 0 40 HKAB COc1cccc(Cn2nc(-c3ccc(C)cc3)c(Cl)c2-c2ccc(C)cc2)c1 17082585 MDKPVBFFIBIQOP-UHFFFAOYSA-N 402.925 6.544 0 40 HKAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(Cl)c(Cl)c1 17088748 XQSJVQVRWGKFOF-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 17089867 PHVPMAAHGSMPNJ-AWNIVKPZSA-N 414.484 5.643 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1Cl 17091301 IXMSRERCWXDKDP-UHFFFAOYSA-N 418.143 5.191 0 40 HKAB Cc1ccc(CN2COc3c(Cl)cc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 19882340 JRQDXWXEKXZPOO-UHFFFAOYSA-N 417.892 5.774 0 40 HKAB CCc1ccc(C(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 23230761 DKPLTHUGJWWSFW-UHFFFAOYSA-N 421.012 6.021 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N(C)Cc1ccc(F)cc1F 24468085 VKLFPAOWQNRLFD-UHFFFAOYSA-N 411.235 5.507 0 40 HKAB Cc1nn2c(Nc3cccc(Cl)c3)cc(-c3ccccc3)nc2c1-c1ccccc1 27585011 ZFKNZBCTLPDENA-UHFFFAOYSA-N 410.908 6.769 0 40 HKAB Cc1cc2oc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCCC3)c(C)c2cc1C 28287945 IVQNQZABCCSIFC-JOCHJYFZSA-N 424.972 5.968 0 40 HKAB Cc1ccc(C)c(NC(=O)COc2ccc(CNc3ccc(F)cc3)cc2Cl)c1 33545973 AHWIYLVNBOJRRG-UHFFFAOYSA-N 412.892 5.726 0 40 HKAB O=C(Nc1ccccc1)Oc1c(Br)cc(Br)c2cccnc12 34132430 MOXXCSZSGLDVDH-UHFFFAOYSA-N 422.076 5.371 0 40 HKAB Cc1cc(C)c(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c(Cl)c1 37213019 YSJBDSWEBFLBNY-OAQYLSRUSA-N 416.999 5.666 0 40 HKAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1sccc1Br 40129268 DDLITAMJCKAINV-UHFFFAOYSA-N 404.314 5.368 0 40 HKAB C[C@H](Sc1ncccc1C(F)(F)F)c1ccnn1C(=O)c1ccc(Cl)cc1 43804415 DSEKWZZCKYIREV-NSHDSACASA-N 411.836 5.492 0 40 HKAB CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)F)cc1 44088237 VZGNLILSLDUDOK-UHFFFAOYSA-N 415.292 6.560 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3OC)nn2-c2ccccc2)cc1 48289111 AHOPYBDCWHTOPB-UHFFFAOYSA-N 413.477 5.117 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(-c2nc3ccccc3s2)cc1 59477567 OGITWAAOEQHGDX-BMRADRMJSA-N 422.509 6.875 0 40 HKAB COc1cc(OC)cc(-n2c(SCc3cccc(C)c3)nc3ccccc3c2=O)c1 67258611 XETVPWJWBQAZMA-UHFFFAOYSA-N 418.518 5.004 0 40 HKAB COC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc1 67296955 HBCQDESMOWYMDR-LCUIJRPUSA-N 412.445 5.013 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(SC)c2)cc1 67297596 MEPOZGLACBPBCG-LCUIJRPUSA-N 416.502 5.648 0 40 HKAB CCOC(=O)c1c(NC(=O)/C=C/c2cc3ccc(C)cc3o2)sc2c1CC[C@@H](C)C2 67339744 BRCBTCDDYYKDCI-TUPIDYKKSA-N 423.534 5.756 0 40 HKAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72214775 RQSMFTQPJPQPQP-OAQYLSRUSA-N 423.557 5.601 0 40 HKAB COc1ccc(-c2csc(-c3ccc(Oc4ccc(Cl)cc4)cc3)n2)cc1OC 80346107 VXIKKAHVUWGDAF-UHFFFAOYSA-N 423.921 6.940 0 40 HKAB Cc1ccc(-c2nc3sc([C@H](c4ccccc4)N4CCCCC4)c(O)n3n2)cc1 96336886 GRJOHYQALZSGBU-IBGZPJMESA-N 404.539 5.047 0 40 HKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5ccc(Cl)cc5Cl)(C4)C2)C3)cc1 103130357 UVWGGUYQKIDKMD-WADIDORASA-N 414.376 6.779 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1F 106971996 JIEUSHZOGCLGSY-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB C[C@@H](N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)[C@H]1C[C@H]2CC[C@H]1C2 107450786 FVEGEUWYIKZIEV-UYSSEADVSA-N 420.940 5.282 0 40 HKAB COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC(C)C 222573701 QPWATDBZBYZVIB-MJXNMMHHSA-N 417.962 5.120 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 222919219 FLCVIXQSFDXTQX-VGSWGCGISA-N 410.558 5.309 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1cccc(Cl)c1 223092273 KCFDGUGLNGDQDE-QFIPXVFZSA-N 418.002 5.426 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C)cc3)c2)cc1 224128496 BTNALAANWIUQDL-UHFFFAOYSA-N 403.522 6.178 0 40 HKAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccc(Cl)cc1 224160074 LLXLSZKGDUNTEN-UHFFFAOYSA-N 413.926 5.902 0 40 HKAB CCOCc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OCC 224700632 FIFJRBFFFBKNIJ-UHFFFAOYSA-N 401.812 5.546 0 40 HKAB C[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 225290624 IMKRZASFVKWRDV-ZVTCDHROSA-N 416.521 5.225 0 40 HKAB CC(C)c1ccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)cc1 225343991 OUOXZCKKZKURSB-UHFFFAOYSA-N 413.439 6.337 0 40 HKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)Cc2ccccc2Cl)c1 225441562 OLYYXDXSOBKVGJ-UHFFFAOYSA-N 402.277 5.976 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc(Cl)cc1F 225535427 AEMCEDUDGOJURO-SFHVURJKSA-N 423.937 5.140 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)C1CCN(Cc2ccc(Cl)cc2F)CC1 225575901 QRCOOLHDKWDEAL-UHFFFAOYSA-N 415.723 5.637 0 40 HKAB COc1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c2cccnc12 225676763 MKNHFOQVTGBDOZ-GOSISDBHSA-N 407.539 5.141 0 40 HKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225745823 OTHPPDKLXMDEJM-RUZDIDTESA-N 418.622 5.646 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1 225861836 XAGRTIXRAVSWBX-UHFFFAOYSA-N 423.365 5.536 0 40 HKAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)on1 257299902 RSCPVVAAQLTMBJ-MRXNPFEDSA-N 413.905 5.050 0 40 HKAB Fc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408577699 UKGUFVXIRVLAHM-UHFFFAOYSA-N 420.336 6.177 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=O)CN(C2CCCCC2)C2CCCCC2)c1 408582021 LDIVRKGXNALVAO-UHFFFAOYSA-N 406.954 5.033 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cc2c(ccc3ccccc32)o1 408630153 OJOXJGXTTLCVHI-UHFFFAOYSA-N 421.540 7.306 0 40 HKAB Cc1nnc(S/C(=C\c2c(C)n(Cc3ccccc3F)c3ccccc23)C(=O)O)o1 408632041 FOAVIPCYXOMMMP-JAIQZWGSSA-N 423.469 5.046 0 40 HKAB CSc1cccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)c1 408635707 HOJKCEPTUFQKQU-UHFFFAOYSA-N 420.921 5.803 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(Cl)cc2)cc1 408695285 PKMQMVGHNXKQID-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB CCCCCNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408705053 XMTIQWVNYAUJEV-JOCHJYFZSA-N 416.974 5.034 0 40 HKAB CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 408978927 OTVZPYZLQZMRMR-UHFFFAOYSA-N 421.460 5.075 0 40 HKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 409028614 QHFQFQVRAOTIDN-OBGWFSINSA-N 404.554 5.699 0 40 HKAB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(C)c(Cl)c3)n2C)cc1 409193868 GNTXGKMYDFGKKT-LNVKXUELSA-N 400.931 5.164 0 40 HKAB Cc1cc(C)c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c(C)c1 409407968 BFODUXKCDWDDAL-DEOSSOPVSA-N 420.534 5.231 0 40 HKAB CC1(C)CCCN(Cc2ccccn2)Cc2cccnc2Oc2ccccc2OC1 643567267 XHGIEUFZWIJGIX-UHFFFAOYSA-N 403.526 5.470 0 40 HKAB Cc1ccccc1N1C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccccc3)N2C1=S 625316 ZYQFMWLIKVGQJQ-ISKFKSNPSA-N 423.541 5.124 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1cc(C)cc(C)c1 645473 WGJYPALYJZRGHL-UHFFFAOYSA-N 409.507 5.226 0 40 HKAB CC(C)OC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1 719545 VMIHFBXNSJVCEU-MRXNPFEDSA-N 418.445 5.457 0 40 HKAB CCOC(=O)Oc1ccc2c(=O)c(Oc3ccc(CC)cc3)c(C(F)(F)F)oc2c1 956072 LQQRDJFYTIEZGU-UHFFFAOYSA-N 422.355 5.702 0 40 HKAB COc1ccc(C(=O)Oc2ccc3c(=O)c(-c4ccccc4OC)c(C)oc3c2)cc1 1294516 SEYVYNURYLFZAV-UHFFFAOYSA-N 416.429 5.005 0 40 HKAB biogenic CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCc3ccc(Cl)c(Cl)c3)cc12 1798997 AZZKLSYKQNYWBU-UHFFFAOYSA-N 421.320 6.793 0 40 HKAB biogenic Brc1ccc(Oc2cccc(Oc3ccc(Br)cc3)c2)cc1 2030653 XQPMJGXGFIFFNK-UHFFFAOYSA-N 420.100 6.796 0 40 HKAB CCOc1ccc2c(c1)-c1c(sn(-c3cccc(Cl)c3C)c1=S)C(C)(C)N2 2291451 DDQBHTZHTOBBFS-UHFFFAOYSA-N 416.999 6.956 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(Br)ccc1O 2332702 MGUHHAOEKWXVHR-UHFFFAOYSA-N 409.692 5.184 0 40 HKAB CCc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)c1 2403410 JHEWVYWNHJRFNQ-UHFFFAOYSA-N 418.522 5.045 0 40 HKAB CCn1c(S[C@H](C)C(=O)c2ccc(Br)cc2)nnc1-c1cccs1 3363072 GZFUWEGVQJMMMW-LLVKDONJSA-N 422.373 5.153 0 40 HKAB CCCCCOc1cccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)c1 3999981 IEFRVMKLIFGNMU-FPBAGDOUSA-N 404.554 5.283 0 40 HKAB biogenic CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 4281972 SDAMCNIMHRYSMR-LADGPHEKSA-N 404.897 5.981 0 40 HKAB O=C(CCSc1ccccc1)N(Cc1ccccn1)c1nc2ccccc2s1 4304768 JZTKHJASCDUUSU-UHFFFAOYSA-N 405.548 5.407 0 40 HKAB O=C(Nc1ccc(Br)cc1)[C@@H]1CC2c3ccccc3C1c1ccccc12 4413891 QRMQYLOHKIPJKE-ATKRNPRHSA-N 404.307 5.685 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C(C)C)c1 4723707 QXGLLARTCTVMQP-UHFFFAOYSA-N 400.935 5.219 0 40 HKAB CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c(O)cc1OCc1ccccc1F 4815421 VQGVKNXPGYLWNZ-UHFFFAOYSA-N 409.486 5.495 0 40 HKAB Cc1ccc([C@]2(CCN[C@@H](C)c3ccc(Cl)cc3)CCO[C@H](C(C)C)C2)cc1 5024825 VJRNJFGPKMJBSQ-KSNOWIBYSA-N 400.006 6.462 0 40 HKAB c1ccc([C@H]2Cc3c(sc4ncn5cnnc5c34)[C@@H](c3ccccc3)S2)cc1 5100843 GFVDKRAILRKFGN-IEBWSBKVSA-N 400.532 5.459 0 40 HKAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1cc(Cl)ccc1Cl 5146714 LCESYIABGIUGSQ-UHFFFAOYSA-N 402.306 5.551 0 40 HKAB C[C@H](NC(=O)c1sc2cc(Cl)ccc2c1Cl)C12CC3CC(CC(C3)C1)C2 5163748 XLAGODFVKWSRES-OWFXSXJRSA-N 408.394 6.543 0 40 HKAB Cc1cccc(C(=O)NCCc2nc3ccccc3n2Cc2cccc3ccccc23)c1 5234811 NROZBJQFGMUGHK-UHFFFAOYSA-N 419.528 5.519 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(F)c2)c1 5235450 XVWMWDAFAVMVOE-ISKFKSNPSA-N 406.888 6.338 0 40 HKAB CC(C)(C)OC(=O)[C@H](c1ccccc1)[C@H](Nc1ccccc1Cl)c1ccccc1 5379727 AHOMQLGDWNVYHX-DHIUTWEWSA-N 407.941 6.619 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](OC(=O)c1cc2ccccc2[nH]1)c1ccccc1 5492285 HKRHYSLVRKKGFD-HSZRJFAPSA-N 414.461 5.103 0 40 HKAB CCN(CC)c1ccc(-c2nnc(SCC(=O)c3c[nH]c4ccccc34)o2)cc1 6582310 IGQAFXIKPBSYBS-UHFFFAOYSA-N 406.511 5.039 0 40 HKAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)NCc3ccccc3)nc2c1 6646319 QZLPSIGDIAOARK-UHFFFAOYSA-N 414.530 5.319 0 40 HKAB Cc1ccc(Cl)cc1N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 6824997 NGVSXOUTWLDFDD-FQEVSTJZSA-N 410.304 6.553 0 40 HKAB O=C(c1cccc2ccccc12)N1CCN=C1SCc1cccc(C(F)(F)F)c1 6886058 NNUHNUMLKUAVHN-UHFFFAOYSA-N 414.452 5.604 0 40 HKAB COc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1NC(=O)c1cccs1 6906680 NKMXLZNBVFLZDS-UHFFFAOYSA-N 421.305 5.568 0 40 HKAB CCOC(=O)c1cccc(-n2c(C)cc(/C=C/C(=O)c3ccc(OC)cc3)c2C)c1 7375718 SPOPFHHGBRAFNL-SDNWHVSQSA-N 403.478 5.176 0 40 HKAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc(C)c3C)cc2)CC1=O 7928148 JDTGUBWBTPHOLI-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB Cc1cc(-c2csc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)n2)c(C)n1C 8037022 WDJHAHPPQZWJNI-UHFFFAOYSA-N 417.538 5.081 0 40 HKAB COc1cc(C(=O)N(C)[C@H](C)c2ccccc2)cc(OC)c1OCc1ccccc1 8404908 MLGJYWLSBIWABG-GOSISDBHSA-N 405.494 5.116 0 40 HKAB COc1ccc(C(=O)C2CCN(C(=O)/C=C/c3c(Cl)cccc3Cl)CC2)cc1 9984452 MYEKWBGTTVIGFM-MDZDMXLPSA-N 418.320 5.137 0 40 HKAB Cc1cc(C)nc(Nc2ncc(-c3ccc4ccccc4c3)n2-c2ccc(F)cc2)n1 10381852 IQEQZSNDSIYWRQ-UHFFFAOYSA-N 409.468 5.982 0 40 HKAB COc1ccc(/C=C/C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1OC 12569055 SFGLCPFGKPPWKZ-XOPAWIAISA-N 411.548 5.014 0 40 HKAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc(-c3cccc(Br)c3)o2)c1 12745622 MSSCMQWYJIPEKZ-CYBMUJFWSA-N 417.328 5.479 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12785247 RHVQZXPXCAIBND-DEOSSOPVSA-N 413.517 5.344 0 40 HKAB CC[C@H](C)C(=O)N1c2ccccc2[C@H](N(C(=O)[C@@H](C)CC)c2ccccc2)C[C@H]1C 13381821 WYDOYBRGEXKRFI-PWSZPPJVSA-N 406.570 5.978 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1 13631038 MELGTQNKHICNJK-UHFFFAOYSA-N 416.521 5.399 0 40 HKAB Fc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)cc1 13758718 VFGVYLKKXRDHIR-XXBNENTESA-N 422.843 5.450 0 40 HKAB S=c1[nH]c(-c2cccs2)nn1CN1CCc2sccc2[C@H]1c1cccs1 16878994 ZALJICXKNFTRQH-INIZCTEOSA-N 416.622 5.397 0 40 HKAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccc2c(Cl)cccc12 17089712 WXSIVFOIODTAIZ-UHFFFAOYSA-N 413.864 6.257 0 40 HKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccccc1 17090974 DMBKFOQSSUMKNP-VQHVLOKHSA-N 417.317 5.780 0 40 HKAB COc1c(Br)cc(Br)cc1C(=O)Nc1ccccc1Cl 17091850 XQKDCLGXDLJCES-UHFFFAOYSA-N 419.500 5.126 0 40 HKAB COc1ccccc1CC(=O)N1CCCCC[C@H]1c1cc(-c2ccc(F)cc2)on1 19569628 JTTDPLNXRHRTAG-NRFANRHFSA-N 408.473 5.176 0 40 HKAB CCN(C(=O)c1ccccn1)[C@H]1CCO[C@@H](c2cccc(-c3cc(F)cc(F)c3)c2)C1 19712001 OEBIQGLTRXHCOP-LADGPHEKSA-N 422.475 5.409 0 40 HKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 20043958 FYWIKSZHTMTVFG-QFIPXVFZSA-N 422.912 5.066 0 40 HKAB CCCCc1ccc(NC(=O)Cn2cnc3c(-c4ccccc4)csc3c2=O)cc1 23126354 XGHUHNXOUAJEEZ-UHFFFAOYSA-N 417.534 5.106 0 40 HKAB COc1cc(NC(=O)c2sc3cc(C(F)(F)F)ccc3c2Cl)cc(OC)c1 23426572 MRPHRMIUHRJZNT-UHFFFAOYSA-N 415.820 5.843 0 40 HKAB Cc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(Cl)c2C)cc1 28534820 OAALVVOIFBWEEF-UHFFFAOYSA-N 423.948 5.513 0 40 HKAB O=C(c1ccc(CSCc2coc(-c3ccc(Cl)cc3)n2)cc1)N1CCCC1 31424094 YPIWNJJSDPIQKY-UHFFFAOYSA-N 412.942 5.664 0 40 HKAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCC(c2nc3ccccc3o2)CC1 32967061 VIYGILCSJZHVJW-UHFFFAOYSA-N 400.478 5.427 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@@H]2C(=O)N1c1cccc(Cl)c1 33379931 NPVJGFQTYBSJJL-ZRDDSIGQSA-N 420.295 5.087 0 40 HKAB O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)c1cccc(C(F)(F)F)c1 35586427 MYBPYOXEOFZWJZ-UHFFFAOYSA-N 408.188 5.376 0 40 HKAB CSc1ccc(CN2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 40485695 LDLDYNHCXKOTKE-XMMPIXPASA-N 415.558 6.078 0 40 HKAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 59959032 YOLDPRJDLWWPJY-BKUYFWCQSA-N 407.828 5.403 0 40 HKAB CCN1C(=S)N[C@@H](c2ccc(Cl)cc2)C(c2nc(-c3ccccc3)no2)=C1C 98212151 WZDGMNCSHFDYRF-SFHVURJKSA-N 410.930 5.072 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc(C)cc4)C3=C(O)C2)cc1 100426242 JDYBZCXXQZNQCG-NFQMXDRXSA-N 410.517 6.633 0 40 HKAB CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(O)=C2[C@@H]1c1ccco1 102587733 AQDGLCZMSHGLTI-OWJWWREXSA-N 402.450 5.833 0 40 HKAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccc(O)cc2)C[C@H](c2ccc(Cl)cc2)C1 102739297 RUIWBTOVXBTOHA-DJJJIMSYSA-N 408.845 5.058 0 40 HKAB Cc1noc(C)c1CC(=O)N(Cc1c(F)cccc1Cl)[C@@H]1CCC[C@@H](C)[C@H]1C 106179346 XTIMGIRHXULJEU-ZMOMAAQPSA-N 406.929 5.480 0 40 HKAB C[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 222993982 FBSFMCAMAFFABY-AWEZNQCLSA-N 408.394 5.983 0 40 HKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCSc1ccccc1 224644427 HQNFHSLPDAKEAF-HXUWFJFHSA-N 424.610 5.035 0 40 HKAB Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1c1ccc(-c2cccc(Cl)c2)nc1 257289432 PYOFERJXKBDHBK-JOCHJYFZSA-N 409.917 5.303 0 40 HKAB O=C1CS[C@@H](c2ccccc2OCc2cccc(F)c2)N1c1ccc(Cl)cc1 408556781 LNDJXMBHAQVSSF-QFIPXVFZSA-N 413.901 5.837 0 40 HKAB S=C(NCc1ccccc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408575471 OKZUNGVNGQCQQK-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB CCCOc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 408601285 JOOXLGCZNDSXTM-VCHYOVAHSA-N 422.333 6.019 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1OC 408621722 PHBVDWLEDUQODL-UHFFFAOYSA-N 405.494 6.227 0 40 HKAB CCCc1nc(S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)O)n[nH]1 408630560 BUBKOYHFZJNHTO-ZROIWOOFSA-N 424.309 5.542 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(C)c3)n2)c1 408696519 AKAFZCJQNYDQJR-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(Cl)cc2)cc1 408696589 CKSVUJUVCIYQKD-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB CC1=C(c2ccccc2)N[C@H](NC(=O)CCCOc2ccc(Cl)cc2Cl)S1 408911099 IWBOSZWFOQMNAE-FQEVSTJZSA-N 423.365 5.277 0 40 HKAB CCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(C)c1-c1ccc(F)cc1 409196318 SZHGDUAINUMPCZ-NMWGTECJSA-N 409.313 5.503 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1OC(C)C 409212357 QHWRKOBNILIGJZ-RCCKNPSSSA-N 411.523 5.152 0 40 HKAB COc1ccc(-c2nsc(NC(=O)c3cc(C)c(-c4ccccc4)s3)n2)cc1 526052489 TZRYPSWCCZZTHY-UHFFFAOYSA-N 407.520 5.503 0 40 HKAB Cc1ccc2c(c1)Cc1cccc(c1)CN(CCCc1ccccc1)CCCCCO2 643579538 FPUMNOVFCQGCFD-UHFFFAOYSA-N 413.605 6.583 0 40 HKAB COc1ccc(-c2nc(-c3ccc(SC)cc3)[nH]c2-c2ccc(OC)cc2)cc1 726919 AOXQGLBHOPCVBD-UHFFFAOYSA-N 402.519 6.150 0 40 HKAB O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc2ccccc12 784562 XGBMVYJBDBZEDC-SFHVURJKSA-N 416.424 5.300 0 40 HKAB Cc1cc(C)c2cc(CN(Cc3ccco3)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1 1371279 SNEJPPAAMBGZAN-UHFFFAOYSA-N 419.456 5.111 0 40 HKAB O=c1c2cc(Cl)cc(Cl)c2nc(C(F)(F)F)n1OCc1ccc(Cl)cc1 1401926 XNNOXWOFQYRMLG-UHFFFAOYSA-N 423.605 5.004 0 40 HKAB COc1ccc(-c2cc(NC(C)=O)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 1415849 JDBZDFNTZAHUEK-UHFFFAOYSA-N 424.913 5.283 0 40 HKAB CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc(C(=O)OC)cc3)c2c1 1892546 VXAXTYIWWBOFDN-SLEBQGDGSA-N 413.473 5.690 0 40 HKAB C[C@H](NC(=O)c1cccc(COc2ccc(Br)cc2)c1)c1ccccc1 2115207 ZIHPONDZXVGXIB-INIZCTEOSA-N 410.311 5.519 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(F)cc4)ccc3o2)cc1C 2220701 DJLPKOPMDRTNDL-UHFFFAOYSA-N 419.481 5.378 0 40 HKAB Cc1ccc(-n2c(COc3ccccc3)nnc2SC/C=C/c2ccccc2)cc1 2342751 RHRQHGUFFDDAOF-DHZHZOJOSA-N 413.546 5.960 0 40 HKAB CCOC(=O)[C@@H](C)OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2)ccc1Cl 2526771 XSPXBDRGNLATSI-LLVKDONJSA-N 416.779 5.260 0 40 HKAB CCc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccc(C)cc23)cc1 2698996 KBHIQRDQFXECFK-UHFFFAOYSA-N 415.514 5.169 0 40 HKAB COc1ccccc1-c1cc(-c2ccccc2OC)n(-c2ccc(C)c(Cl)c2)n1 2733288 SRFIPBLPJRQKTO-UHFFFAOYSA-N 404.897 6.185 0 40 HKAB CCCOc1ccc(-c2csc(NC(=O)c3ccc(C)c(C)c3)c2C(=O)OC)cc1 2889740 ROAZDFHZXRRRTI-UHFFFAOYSA-N 423.534 5.860 0 40 HKAB FC(F)(F)c1cccc(CSCc2ccccc2Sc2ccc(Cl)cc2)c1 3104409 XHFXNOMBHDMGQA-UHFFFAOYSA-N 424.940 7.943 0 40 HKAB C[C@@H]1Cc2ccccc2N1C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3166910 MTVWTDHVGULCEI-QGZVFWFLSA-N 413.908 5.784 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2c1CC[C@@H](C)C2 3265347 ICANQNKCIOQETF-LLVKDONJSA-N 411.445 5.321 0 40 HKAB CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 3359698 LAGPQFAUCUYDSE-MHZLTWQESA-N 420.512 6.523 0 40 HKAB Cc1ccc(NC(=O)CSc2cn(Cc3cccc(F)c3)c3ccccc23)cc1 3581582 ZYYRHECQHHRAKI-UHFFFAOYSA-N 404.510 5.868 0 40 HKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(S[C@@H](C)CC)ncnc32)cc1 3658770 UOSRLKFWJODOCA-KRWDZBQOSA-N 403.551 6.377 0 40 HKAB CC[C@@H]1[C@@H](c2ccccc2)O[C@@](O)(c2ccccc2)[C@H](CC)[C@@]1(O)c1ccccc1 3850837 RESUPJVANKPOGK-ACFIUOAZSA-N 402.534 5.543 0 40 HKAB COc1ccccc1[C@]1(CCN(C(C)=O)[C@@H](C)c2ccccc2)CCO[C@@H](C(C)C)C1 4073195 BLORJSGUUHAICH-GCCWUPBUSA-N 423.597 5.768 0 40 HKAB biogenic CCOc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C)c(Cl)c4)c3c2c1 4970198 BBOXSMLFYSBFSC-UHFFFAOYSA-N 413.908 6.601 0 40 HKAB Cc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc3cccc4c3c2CCC4)cc1 5234165 POAOIGBCQILZCI-HSZRJFAPSA-N 409.576 5.073 0 40 HKAB COc1ccc(CN(C)[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c(OC)c1 5262070 LOENTSDYRCTRSL-RUZDIDTESA-N 418.537 5.132 0 40 HKAB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C(=O)c1ccccc1 5638177 GZLPTXTWZWWHFE-INIZCTEOSA-N 403.482 5.437 0 40 HKAB COc1ccccc1-c1csc(NC(=O)c2sc3ccccc3c2Cl)n1 5918972 FAGKMUWKHVOVCN-UHFFFAOYSA-N 400.912 5.939 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1cccc(-c2nc3cc(C(C)C)ccc3o2)c1 6347663 ZBFSXANNSMZAIU-UHFFFAOYSA-N 416.477 5.888 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1Cl 6660064 ZFEYTJXJEORAEX-UHFFFAOYSA-N 407.857 5.503 0 40 HKAB CCOc1cc(NC(=O)c2ccc(C(C)C)cc2C(C)C)c(C(=O)O)cc1OCC 6850856 ISFFOVJCYXTHGU-UHFFFAOYSA-N 413.514 5.681 0 40 HKAB CCc1ccc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)s1 7790945 PEANKJPITGPFBC-UHFFFAOYSA-N 408.552 5.360 0 40 HKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)cc1C 7927997 XJRSZMKDXAXUJE-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)c1 8174418 UAULNHONHVSDSB-CYBMUJFWSA-N 405.445 5.385 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)C(Cl)(Cl)Cl)cc3)nc2c1 8196585 FSFTTYALHXZGNR-LLVKDONJSA-N 411.716 6.317 0 40 HKAB CCOCCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1 8253143 ASIVVNMHDLIUIZ-UHFFFAOYSA-N 412.357 5.487 0 40 HKAB Clc1ccc(OCc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1 8740965 ZBPVUBXMGQQBBA-UHFFFAOYSA-N 417.723 6.624 0 40 HKAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc2cccc(OC)c2o1 8960497 VVLJGNCEHGJXDG-UHFFFAOYSA-N 407.447 5.209 0 40 HKAB S=C(Nc1cccc(I)c1)Nc1ccc(Cl)cc1Cl 9283046 KSEDGAXDVGYNOM-UHFFFAOYSA-N 423.106 5.407 0 40 HKAB O=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)Nc1ccc(Cl)cc1Cl 9387427 XQBNQPAZVOOCNN-UHFFFAOYSA-N 416.260 5.162 0 40 HKAB O=C(/C=C/c1ccccc1)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12 9518393 ZVBWHIDRHKEZLS-JLHYYAGUSA-N 418.399 5.615 0 40 HKAB Cc1cc2nc(-c3ccc(CNC(=O)c4cccc5ccccc45)cc3)oc2cc1C 10120387 IIFZQLMJJWHBSY-UHFFFAOYSA-N 406.485 6.195 0 40 HKAB Cc1ccc(Cc2cnc(NC(=O)CCc3ccc(-c4ccccc4)o3)s2)cc1 11689921 MKTJAPCYDHASGP-UHFFFAOYSA-N 402.519 5.874 0 40 HKAB CCOc1cccc2s/c(=N/C(=O)c3cccc(Oc4ccccc4)c3)n(CC)c12 12378121 KGZLVKSSIXUKIK-OCOZRVBESA-N 418.518 5.655 0 40 HKAB Cc1ccc([C@H](NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c2ccccc2)cc1 14092883 WNRZHSXBXMWQLP-XMMPIXPASA-N 410.473 5.360 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc2ccccc2c1 18120083 MYDDZXCNLUMKFM-TXFWVUOCSA-N 401.465 5.236 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1Cl 20106168 SKDNUGMEDBPYHP-SFHVURJKSA-N 414.423 5.914 0 40 HKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(Cl)c2)n2c(nc3ccccc32)N1 20797284 HVDAGUUAWCTFKO-QFIPXVFZSA-N 414.896 5.617 0 40 HKAB COc1ccc(-c2nn3c(Nc4ccc(C)c(Cl)c4)cc(C)nc3c2C)cc1OC 23118884 DCVNFLYSQIBSIJ-UHFFFAOYSA-N 422.916 5.736 0 40 HKAB Cc1nc(-c2ccccc2)sc1C(=O)N(C)Cc1ccccc1Br 23572644 WMBNJVQRRKXART-UHFFFAOYSA-N 401.329 5.153 0 40 HKAB O=C(NC[C@@H](c1cccs1)N1CCCCC1)c1sc2ccccc2c1Cl 27794978 SGTUMBVWBJLRJG-HNNXBMFYSA-N 404.988 5.573 0 40 HKAB CC(C)(C)c1nc(CSc2ncnc3scc(-c4ccc(F)cc4)c23)no1 28012332 ACOLZCOFWMJAEJ-UHFFFAOYSA-N 400.504 5.470 0 40 HKAB C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1nc(C(C)(C)C)no1 32908878 GHLVLODNWUPMFU-HNNXBMFYSA-N 417.538 5.739 0 40 HKAB COc1ccc(CCN2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1 35040526 OWUMARGMZIPTGH-LICLKQGHSA-N 424.374 5.446 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1sc2ncn(Cc3ccccc3)c(=O)c2c1C 35672192 DMGYJNOLUKFJQZ-UHFFFAOYSA-N 423.925 5.029 0 40 HKAB CN(Cc1ccccc1NC(=O)Cc1ccc(Cl)c(Cl)c1)C1CCCCC1 40039648 GIRBJUKZOMSSJK-UHFFFAOYSA-N 405.369 5.939 0 40 HKAB COc1ccc([C@H]2CCCN2C(=O)Nc2ccccc2CN(C)C2CCCCC2)cc1 40103371 VEHMVHAPCVINFD-RUZDIDTESA-N 421.585 5.829 0 40 HKAB C[C@H]1CCCCN1C(=O)Cc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 41127671 AAANGIWSJJCSQK-ZDUSSCGKSA-N 403.309 5.745 0 40 HKAB O=C(N[C@H](CC1CCCCCC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 44321066 QLVAHIRRBVTTMP-HSZRJFAPSA-N 407.510 5.339 0 40 HKAB CCc1cccc(C)c1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Br 54363525 GYFCGFHQEZXOSM-UHFFFAOYSA-N 423.159 5.428 0 40 HKAB Cc1cc(Br)c2oc(-c3ccc(Br)c(Cl)c3)nc2c1 57351606 CFQIPAWJGUKKRU-UHFFFAOYSA-N 401.485 5.982 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ccc2nsnc2c1 59294376 XORSKVAGAZVCTN-UHFFFAOYSA-N 422.469 5.905 0 40 HKAB COc1ccc(OC)c(-n2c(SCc3ccccc3C)nc3ccccc3c2=O)c1 67258935 BELVZTFAOSWEMF-UHFFFAOYSA-N 418.518 5.004 0 40 HKAB CC(C)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1 67294454 MPRFMRLNJKPRFK-FVDSYPCUSA-N 416.908 6.694 0 40 HKAB OC1=C[C@@]2(CCC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccs3)=NN12 101647286 JQRLXQZOWNBHDG-QFBILLFUSA-N 417.328 5.376 0 40 HKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1ccccc1Cl 106971614 RDVFCMMXVUZEPF-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 222935157 PGFBGLCKHYJJIB-AUSIDOKSSA-N 419.565 5.676 0 40 HKAB Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c2ccccc2)c(C)c1 223222510 PVXURCPUFRNHQC-JIPXPUAJSA-N 413.561 5.855 0 40 HKAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 223408860 RDZIGNIEWMTBAZ-XMMPIXPASA-N 420.940 5.136 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(SC)c3)o2)cc1 224911058 IFEUHZUKYCZYMN-UHFFFAOYSA-N 416.502 5.991 0 40 HKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1nnc(SCc2ccccc2)s1 225174398 DVKJLRJPVZFZJC-KRWDZBQOSA-N 413.568 5.243 0 40 HKAB CCc1nc2ccc(NC(=S)N[C@H](CC(=O)O)c3ccc(Cl)cc3)cc2s1 225229833 FFKHXQVRTLIGMG-OAHLLOKOSA-N 419.959 5.015 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(Br)c(C)c2)cc1 225498629 SZYUHOYCNFZPJX-LJQANCHMSA-N 421.404 5.840 0 40 HKAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(Br)cc2)cc1OCC 225749532 GFYYGCZODVHCJR-ZDUSSCGKSA-N 423.376 5.294 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C(=O)OC 225759815 FPBGKNHQVIUQNC-UHFFFAOYSA-N 423.553 5.801 0 40 HKAB O=C(O)c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Br)o1 226359395 OMINTABZBYOIIL-UHFFFAOYSA-N 413.971 5.189 0 40 HKAB COc1ccc(Cc2ccc(C3CCN(Cc4ccc(C)cc4OC)CC3)nc2)cc1 257207193 BGSQBBFBLWMYJG-UHFFFAOYSA-N 416.565 5.378 0 40 HKAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260812435 BKFREOASLTYGHN-YKSBVNFPSA-N 404.595 5.254 0 40 HKAB COc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1Cl 409347196 MSYGNRWSOINPLO-UHFFFAOYSA-N 401.098 5.110 0 40 HKAB O=C(NC[C@H](C(=O)O)c1ccccc1Cl)OCC1c2ccccc2-c2ccccc21 685939418 ZDTWOCCGXMOXRB-FQEVSTJZSA-N 421.880 5.047 0 40 HKAB CCOC(=O)[C@H]1C(c2ccc(Oc3ccc(Cl)cc3)cc2)=NOC12CCCCC2 1857780972 YVOPGKIJXYOYFL-HXUWFJFHSA-N 413.901 5.749 0 40 HKAB Cc1cccc(CCN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2C)c1 1346855 QIQYJHJMLGVROT-UHFFFAOYSA-N 424.544 5.338 0 40 HKAB CC1(C)SC(=S)N(c2ccccc2)[C@H]1N(O)C(=O)Nc1cccc(Cl)c1 1508091 OCTPFJXBYJBJGY-HNNXBMFYSA-N 407.948 5.206 0 40 HKAB Cc1ccc2nc(-c3ccc(/N=c4\oc5ccccc5cc4C(N)=O)cc3)sc2c1 1656409 KAXTUTWOEMUPIL-RWEWTDSWSA-N 411.486 5.349 0 40 HKAB CC(C)Cc1nc2sc3c(SCc4ccccc4)ncnc3c2c2c1CCC2 2220033 ZDFURQIYJBJKCZ-UHFFFAOYSA-N 405.592 6.219 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)C2CCCCC2)c(-c2ccccc2)c1=O 2346644 CQPCGNPZHYJQJC-UHFFFAOYSA-N 421.928 5.380 0 40 HKAB CCCCOC(=O)c1ccc(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 2365638 XDIJWWRHCUFYTP-UHFFFAOYSA-N 421.888 5.169 0 40 HKAB Cn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccccc1 2619019 LKJKLOYXURDGTC-HXUWFJFHSA-N 418.497 5.093 0 40 HKAB O=C(Cc1csc(-c2ccccc2)n1)NCCC(c1ccccc1)c1ccccc1 2650666 DYFUIUNWIXPKTA-UHFFFAOYSA-N 412.558 5.691 0 40 HKAB O=C(Nc1ccc(F)cc1F)c1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1 3070002 RLISXVRLGHZRET-UHFFFAOYSA-N 410.420 6.147 0 40 HKAB CC(C)c1ccccc1-n1c(SC(F)F)nnc1-c1ccc(Cl)cc1Cl 3262900 BNAABTBXQMLMBN-UHFFFAOYSA-N 414.308 6.679 0 40 HKAB Fc1ccccc1N1CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 3326976 SSJAFGYLPQGQSQ-UHFFFAOYSA-N 407.514 5.137 0 40 HKAB Cc1ccc(-n2c(SCCOc3ccccc3F)nnc2-c2ccccc2)cc1 3330396 GPJLRPMDVRFWKT-UHFFFAOYSA-N 405.498 5.553 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](Nc1ccccc1)c1ccccc1 3357313 BJUFMWXJZPDYSO-LJQANCHMSA-N 404.819 6.151 0 40 HKAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2cc3c(s2)CC[C@H](C)C3)c1Cl 3377745 IKTDQALNMOJHKI-JTQLQIEISA-N 412.338 5.284 0 40 HKAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3410201 XEWDBRIREQCXMV-UHFFFAOYSA-N 413.525 5.114 0 40 HKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3c(C)ccc4ccccc34)c2c1 4129592 ZVHYPZGUJCWCAC-UHFFFAOYSA-N 402.497 6.924 0 40 HKAB CCN(c1ccccc1)P(=N)(N(CC)c1ccccc1)N(CC)c1ccccc1 4159309 WZOLZBDNJVRQAN-UHFFFAOYSA-N 406.514 7.091 0 40 HKAB C[C@@H](NC(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)c1ccccc1 4700441 GPJGUORWKZOJFI-OAQYLSRUSA-N 414.549 5.568 0 40 HKAB Fc1cccc(-n2nc(-c3ccccc3)c3cnc4cc(C(F)(F)F)ccc4c32)c1 4970007 HPJYJZGXYMSJSO-UHFFFAOYSA-N 407.370 6.399 0 40 HKAB COc1ccc(-c2nnc(SCC(=O)c3ccc(C(C)(C)C)cc3)o2)c(OC)c1 5170848 AKPPSRRWCHIKJC-UHFFFAOYSA-N 412.511 5.026 0 40 HKAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc(Cl)c4)=NN32)cc1OC 5215250 FFRJHCZUBLVPPE-GBXCKJPGSA-N 420.896 5.600 0 40 HKAB CCCc1ccc(OC(=O)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 5313650 UBDICFWHSOUJEU-UHFFFAOYSA-N 406.525 6.579 0 40 HKAB FC(F)(F)c1cnc(Cc2ccc(OC[C@H]3CC3(Cl)Cl)cc2)c(Cl)c1 5674152 ADUBDCGORLEBBW-GFCCVEGCSA-N 410.650 5.917 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(S[C@H]3CCCCC3=O)n2Cc2ccco2)cc1 5858496 ZTMXUFYLJHRQSQ-FQEVSTJZSA-N 409.555 5.488 0 40 HKAB CC(=O)c1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1 6623911 GWOOBKPYSIISKS-UHFFFAOYSA-N 417.461 5.238 0 40 HKAB biogenic COc1ccccc1N(C(C)=O)c1nc(CSc2ccc(F)c(F)c2)cs1 7161490 IBKLFDILZGPLCY-UHFFFAOYSA-N 406.479 5.407 0 40 HKAB CCOc1cc(CNCc2ccco2)ccc1OCc1ccc(Cl)cc1Cl 7523634 QGMZSIZQNCXNDS-UHFFFAOYSA-N 406.309 5.854 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c(C)c1 8492972 VLKRZBCFJSQRRJ-HNNXBMFYSA-N 412.382 5.427 0 40 HKAB COc1ccc(-c2ccc(CNn3c(-c4ccccc4)n[nH]c3=S)o2)cc1Cl 8493146 VRTMYWMTRDXGFL-UHFFFAOYSA-N 412.902 5.273 0 40 HKAB COc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1O 8801800 GGPYGVYOXGVFMN-UHFFFAOYSA-N 416.527 6.209 0 40 HKAB aggregator CCCCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(OC)cc2)[nH]c2ccccc12 9355449 XJOGYXJPCUJBSF-SANMLTNESA-N 410.517 6.189 0 40 HKAB CCS(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 9707768 ICIUARMQRYUNRH-UHFFFAOYSA-N 422.531 5.009 0 40 HKAB COc1ccc([C@H]2CCCN2Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 10036654 SKDQRHKFDGVTDY-GOSISDBHSA-N 403.404 5.101 0 40 HKAB CC(C)c1ccc(CCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 10331263 LLJLXPMJVPHGMU-UHFFFAOYSA-N 410.410 6.099 0 40 HKAB CCOc1ccc(Cl)cc1NC(=O)c1cccc(OCCOc2ccccc2)c1 12137923 SFUIJJHZWLESNX-UHFFFAOYSA-N 411.885 5.449 0 40 HKAB COc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)c(OC)c1 13362014 XUIXVVMKUGFDRC-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB O=C(COc1ccc(Cl)cc1Br)Nc1cc(Cl)cc(Cl)c1 13979549 ODUXPINWEZPIDY-UHFFFAOYSA-N 409.494 5.427 0 40 HKAB C[C@H](Oc1nc2ccccc2nc1/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 14944076 JLZWOMHNRYVKDX-GRNBYLDVSA-N 421.327 7.247 0 40 HKAB CCc1ccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2Cl)cc1 16161548 BJGXLIRPWHGFFC-UHFFFAOYSA-N 404.897 6.580 0 40 HKAB O=C(O)[C@@H](Sc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2)c1ccccc1 16477165 NVYQJVLIZXPLIF-FQEVSTJZSA-N 410.926 5.594 0 40 HKAB CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(Cl)cc4)nccn3n2)cc1 16841625 LWRXMWDEAWSCKJ-UHFFFAOYSA-N 422.941 5.343 0 40 HKAB Cc1csc([C@H](Cc2cccs2)NCc2ccccc2OCc2ccccn2)n1 19240111 LGCORBNVLOKJPO-NRFANRHFSA-N 421.591 5.561 0 40 HKAB COc1ccccc1CN1CCCN(Cc2ccccc2OC)C1c1cccc(F)c1 19326124 RRZUJQWSYKYQPH-UHFFFAOYSA-N 420.528 5.250 0 40 HKAB COc1cccc(C(=O)N2CCC(c3cc(-c4cccc(OC)c4)cc(C)n3)CC2)c1 19690641 ICCLBXOJWOPKSU-UHFFFAOYSA-N 416.521 5.094 0 40 HKAB COCc1cc(CN2CCC[C@H]2c2cc(-c3cn[nH]c3)cc(C)n2)ccc1OC(C)C 19690789 JMQXYXIXNAOWLQ-DEOSSOPVSA-N 420.557 5.051 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 20105874 IMSCZIYSUMTLPJ-DEOSSOPVSA-N 416.521 5.262 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20456409 KFZJOWHNFHUZKV-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(Cl)cc1 21580607 MDRUEVJFZYCLHS-MDWZMJQESA-N 403.869 5.544 0 40 HKAB C[C@@H](NC(=O)CSC1=Nc2ccccc2CS1)c1ccc(Cl)cc1Cl 21627534 BLIBDPIZKFSQJL-LLVKDONJSA-N 411.379 5.838 0 40 HKAB O=C(NC[C@H](c1ccccc1Cl)N1CCCCC1)c1cc(-c2cccs2)on1 21805358 QJOPRDZYYPKWAF-GOSISDBHSA-N 415.946 5.014 0 40 HKAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1c[nH]c(=S)n1-c1ccccc1 22703979 FLNSCXBVXHKETI-UHFFFAOYSA-N 407.495 5.219 0 40 HKAB Cc1c(C(=O)N(Cc2nnc(-c3ccccc3)o2)C(C)C)sc2cccc(F)c12 24835366 JHGJHLMRUJXDBT-UHFFFAOYSA-N 409.486 5.450 0 40 HKAB CCOc1cccc(C(=O)NC[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)c1 27744554 NCEWEZIJJXIBRG-HSZRJFAPSA-N 414.505 5.137 0 40 HKAB Cc1cc2oc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCC3)c(C)c2cc1C 28287365 FNVLXDOHSKEYMC-OAQYLSRUSA-N 410.945 5.578 0 40 HKAB CCc1ccc(OC(=O)c2nc(SCc3ccccc3F)ncc2Cl)cc1 28290469 DXHWGGDUCSJDBY-UHFFFAOYSA-N 402.878 5.343 0 40 HKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 30855556 IJGNNARTFRYAHK-JOCHJYFZSA-N 408.542 5.162 0 40 HKAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1cc(F)c(Cl)cc1Cl 31959890 QJTKBFOUPPAUHY-UHFFFAOYSA-N 416.301 5.101 0 40 HKAB COc1ccc([C@@H]2CC(O)=Nc3sc(C(=O)Nc4ccccc4F)c(C)c32)cc1 32094316 YIVCXUBZXPKWBP-HNNXBMFYSA-N 410.470 5.580 0 40 HKAB COc1ccccc1-c1nc(-c2cccc(NC(=O)Nc3ccc(C)cc3)c2)no1 32647473 KJOCMKFKXLPCRH-UHFFFAOYSA-N 400.438 5.365 0 40 HKAB CCN(C(=O)Cc1csc(-c2cccc(Br)c2)n1)c1ccccc1C 32753792 FKBWCOIJAJHGHU-UHFFFAOYSA-N 415.356 5.477 0 40 HKAB C[C@H](SCc1csc(-c2ccsc2)n1)C(=O)NCc1ccccc1Cl 32779135 WGHMFMPRIXRYFV-LBPRGKRZSA-N 409.001 5.463 0 40 HKAB O=C(c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)N1CCC[C@H]1c1cccnc1 32907942 ACVCPIVEJGICOG-FQEVSTJZSA-N 418.884 5.158 0 40 HKAB Cc1cccc(NC(=O)COc2ccccc2-c2noc(-c3ccc(Cl)cc3)n2)c1 33324991 CSUWHMJLRHZRNO-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB Cc1ccc(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 33458796 YXLUFKJXEJCDRQ-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB CCCCOc1ccc(NC(=O)Nc2ccccc2NC(=O)c2ccncc2)cc1 38678845 FFQZULZCBKEEHZ-UHFFFAOYSA-N 404.470 5.157 0 40 HKAB CCOc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccncc1 40059740 KKGNMGHQKHHPEE-UHFFFAOYSA-N 416.399 5.330 0 40 HKAB COc1ccc(-c2cnc(SC(C)C)n2-c2ccc(OC(F)(F)F)cc2)cc1 44087947 TUEPNTMQOLXMME-UHFFFAOYSA-N 408.445 5.947 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)c(Cl)c1 44940186 YEUREGYNMHRVAH-MRXNPFEDSA-N 414.933 5.001 0 40 HKAB O=C(Nc1ccccc1Cl)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078972 YFRTYNLXUVCNPN-UHFFFAOYSA-N 408.860 5.324 0 40 HKAB Cc1ccc2c(Nc3ccc(Cl)cc3F)c(C(=O)N3CCCCCC3)cnc2n1 49004778 WFUVGBPEVVTFQS-UHFFFAOYSA-N 412.896 5.491 0 40 HKAB CC(C)n1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 65322267 WDOMEEDEWUMNBX-UHFFFAOYSA-N 410.949 5.509 0 40 HKAB CSc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)c1 67293178 ZYQJINKICSDROX-LVWGJNHUSA-N 424.909 5.564 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2F)c(C)c1 67297203 YEZSUWRNFOACJY-COOPMVRXSA-N 404.416 5.813 0 40 HKAB Cc1ccc(C)c(CSc2nc3ccsc3c(=O)n2CCc2ccccc2)c1 71327589 COEWCPQGLRYYGB-UHFFFAOYSA-N 406.576 5.610 0 40 HKAB CC(=O)Nc1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)c(C(F)(F)F)c1 101496100 IGEFMBWEJWTBJS-NYYJTOMGSA-N 414.855 5.180 0 40 HKAB COc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 107842105 FAPGKIIOPGUZOT-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB CC(C)=CCC/C(C)=C\Cc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c(O)cc1O 111471663 GJFHZVPRFLHEBR-HGNLGIJWSA-N 424.493 5.451 0 40 HKAB Cc1ccc(C)c([C@@H](C)NC(=O)COc2ccc3ccccc3c2Br)c1 218904108 BGWJUHKRHQINRC-MRXNPFEDSA-N 412.327 5.475 0 40 HKAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OCC 222577596 XGYZBPHREDGDJU-MJXNMMHHSA-N 417.962 5.122 0 40 HKAB O=C(COc1ccc2ccccc2c1Br)NCc1cccc2ccccc12 222863601 OQFDUAZJNMFNAT-UHFFFAOYSA-N 420.306 5.451 0 40 HKAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1 222923399 RQSGOLDDBBBRKP-JOCHJYFZSA-N 410.558 5.310 0 40 HKAB Cc1cc(Br)cnc1NC(=S)NCC1(c2ccccc2)CCCCC1 223992020 MSJSPPCXMCQSDA-UHFFFAOYSA-N 418.404 5.341 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccc(C)cc1 224473891 GZSAPNHXWIKEGV-SFHVURJKSA-N 407.485 5.603 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(CN2CCCCC2)cc1 224535636 KXTIPLVYFHCGKY-QHCPKHFHSA-N 414.977 5.108 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1CSc1ccccc1 224653769 AVQKCUZOIGBQGU-UHFFFAOYSA-N 421.518 5.401 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2Br)cc1COCC(C)C 224736833 PLHZCCLRQBZSLB-UHFFFAOYSA-N 406.320 5.273 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(CC)cc3)o2)cc1 224917427 HMAIHOUOIMKXFP-UHFFFAOYSA-N 412.489 6.222 0 40 HKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)s2)cc1Cl 224948103 MBRQWGIYGNUHCC-RTBURBONSA-N 415.971 5.291 0 40 HKAB S=C(NCCSCc1ccccc1Cl)Nc1ccc(Br)cc1 225295569 GTWRFDPCUVWBPP-UHFFFAOYSA-N 415.809 5.322 0 40 HKAB Nc1cc(C(=O)N2CCCC2)ccc1Nc1cc(Cl)ccc1Oc1ccccc1 225447911 QHBCJFKIKXIUEA-UHFFFAOYSA-N 407.901 5.694 0 40 HKAB COc1ccc(C2(C(=O)Nc3cc(C)c(OCC(C)C)c(C)c3)CCOCC2)cc1 225585999 ZDHHWUVUCPWNPJ-UHFFFAOYSA-N 411.542 5.034 0 40 HKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NC1CCCCCCC1 225833641 PMKRUQGRRVCACA-UHFFFAOYSA-N 403.526 5.565 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4ccc(C(=O)O)cc4)o3)N21 260784288 VPQWQLNJPNQOEF-HBGVWJBISA-N 419.506 5.019 0 40 HKAB Cc1ccc(CNC(=S)c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 408571609 BXEDNKPRNKGHLC-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1 408577213 XGHOGSMRHFVLLO-SAPNQHFASA-N 404.554 5.652 0 40 HKAB Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cccc(C)c3)n2)cc1 408582051 LLJCOMJYTMKZQW-UHFFFAOYSA-N 417.456 5.510 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)cc2)c1 408642935 PTTYCRGOTIAVMC-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB COc1c(Cl)cc(Cl)cc1C[C@@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O 409144531 KOLSDOKMKCZLTM-AWEZNQCLSA-N 416.713 5.467 0 40 HKAB O=C(Nc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1)c1ccccc1 409182474 LKSQBGLAZOULBQ-UHFFFAOYSA-N 407.469 5.885 0 40 HKAB CC[C@H](C)n1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 409194202 OSUYGIOWDCNFIA-PVGUKEHMSA-N 410.926 6.507 0 40 HKAB Brc1ccc(NCc2ccc(OCc3cccc4ccccc34)cc2)cc1 409195889 RTLZXQKKPDNDKL-UHFFFAOYSA-N 418.334 6.793 0 40 HKAB COc1cc(CNc2ccccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409249895 JIZTVNVVTPVQON-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB Cc1cccc(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1C 409382896 XGPCPTFRXBOOGZ-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB CC1=C[C@@H](C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)[C@@H](C(=O)O)CC1 521398268 RCIFBFXCXNXEGK-ZWKOTPCHSA-N 406.507 5.267 0 40 HKAB CCc1cc(C(=O)Nc2nc3c(s2)C[C@@H](C(C)(C)C)CC3)sc1-c1ccccc1 585152221 BMBSQKRFBBLGOM-KRWDZBQOSA-N 424.635 6.837 0 40 HKAB CCOC(=O)c1cc(C(C)=O)c2c(-c3ccc4ccccc4n3)cc3ccccc3n12 720394 BTEVYMZDEBKCQU-UHFFFAOYSA-N 408.457 5.687 0 40 HKAB Cc1sc2c(c1C)C(c1cccc(Cl)c1)=NCC(=O)N2CC(=O)c1ccccc1 930316 NMBTXVLCSGVSPX-UHFFFAOYSA-N 422.937 5.085 0 40 HKAB Cc1ccc(-c2csc(N(C[C@H]3CCCO3)C(=O)c3ccccc3Cl)n2)cc1 932701 DCPXIEBJGUSVGJ-QGZVFWFLSA-N 412.942 5.598 0 40 HKAB Cc1ccc2cc(CN(Cc3cccs3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 1352819 ZLFYVCMUHIJFHI-UHFFFAOYSA-N 421.497 5.271 0 40 HKAB COc1ccc(-c2coc3cc(OCc4ccc(C)cc4)ccc3c2=O)cc1OC 1448064 RBNIXMYSRAKKBM-UHFFFAOYSA-N 402.446 5.365 0 40 HKAB biogenic O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccccc1OCc1ccc(Cl)cc1 2299702 UCRKYDJELCZKDN-MOSHPQCFSA-N 424.283 5.917 0 40 HKAB CCCCCSc1nc2c(c(=O)n1CCC)C1(CCCCC1)Cc1ccccc1-2 2352295 AJHPKQXATFYTQZ-UHFFFAOYSA-N 410.627 6.361 0 40 HKAB CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1c(Cl)cccc1Cl 2371546 ASSZGSOQTNEMOZ-AFMDSPMNSA-N 416.285 5.327 0 40 HKAB O=C(Nc1c(F)cc(F)cc1Br)C(c1ccccc1)c1ccccc1 2582341 ZZTHAPVLGXGWCN-UHFFFAOYSA-N 402.238 5.498 0 40 HKAB COC(=O)c1c(-c2ccc(Cl)s2)csc1NC(=O)c1ccc(OC)cc1 2730448 PHXVOJKBOHQYDP-UHFFFAOYSA-N 407.900 5.178 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl 2746971 XVAGUIIYOVMKDD-UHFFFAOYSA-N 413.304 6.115 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc(-c2ccc(NC(=O)c3ccccc3C)cc2)cc1 3127785 CHJYGRHEDUKDRG-UHFFFAOYSA-N 420.512 6.475 0 40 HKAB O=C(Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(F)(F)F 3249640 JXSQPMSCZAVYRY-UHFFFAOYSA-N 422.410 5.784 0 40 HKAB CCOCc1c(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)oc2ccccc12 3381179 YMDWKXBWAMUKIU-UHFFFAOYSA-N 409.482 5.062 0 40 HKAB COc1ccc(C2(c3ccc(OC)cc3)C=Cc3c(c(O)cc4ccccc34)O2)cc1 4027383 JQBDTKJYSLDLSV-UHFFFAOYSA-N 410.469 5.912 0 40 HKAB biogenic Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)CC(c3ccccc3)c3ccccc3)cc12 4032913 XCWKRWQXZSJOAQ-UHFFFAOYSA-N 424.544 5.026 0 40 HKAB CCOC(=O)c1ccc(NC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1 4072467 XCPIFIXWVAGKES-UHFFFAOYSA-N 409.511 5.556 0 40 HKAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2F)cc1 4498554 ZJJDHSKZKMCQGI-JCMHNJIXSA-N 424.541 5.137 0 40 HKAB CC(C)COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 4550876 RSDBTYGQYJAUAQ-UHFFFAOYSA-N 402.519 6.250 0 40 HKAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)c1 4553946 FLAOVBWLARBCFO-UHFFFAOYSA-N 414.892 6.319 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 4554938 HVNQNFZIMVJANL-UHFFFAOYSA-N 420.965 7.167 0 40 HKAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc2c(c1)OCO2 4681594 SQSHRKQFRHGFCM-UHFFFAOYSA-N 408.866 5.598 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2cccc3ccccc23)cs1 4703819 GHJSKTGLDQYHBI-UHFFFAOYSA-N 408.910 5.943 0 40 HKAB CCOc1cccc2c1O[C@H](c1cccc(F)c1)N1N=C(c3ccc(F)cc3)C[C@H]21 4715732 RCKANDCEXXTAHE-ZJSXRUAMSA-N 406.432 5.606 0 40 HKAB O=C1CCCC(=O)C12Cc1ccc(Cl)cc1N1CC[C@H](Cc3ccccc3)C[C@H]12 4915211 PGQBPMVSBPQSQY-GCJKJVERSA-N 407.941 5.032 0 40 HKAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1c(F)cccc1Cl 5136261 PWULSNAWXOHWGD-UHFFFAOYSA-N 414.889 5.386 0 40 HKAB Cc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccc(Cl)cc1 6185195 SPQMBFSYBUHLSX-UHFFFAOYSA-N 404.922 6.691 0 40 HKAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cccc(OCc2ccccc2)c1 6337124 KMECMFBXUPWXPI-MOSHPQCFSA-N 414.530 5.598 0 40 HKAB CCCCCC(=O)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 6655707 BOTFGUGEFRRPDV-UHFFFAOYSA-N 403.276 5.482 0 40 HKAB Cc1ccccc1N1C[C@H](c2nc3ccccc3n2C[C@@H]2CC2(Cl)Cl)CC1=O 7343663 FMARQULHVSDQAA-CVEARBPZSA-N 414.336 5.059 0 40 HKAB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 7928150 DTIULLRRVDWOIL-IBGZPJMESA-N 400.478 5.087 0 40 HKAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 7974060 IODJMABMCISPFZ-UHFFFAOYSA-N 409.441 5.261 0 40 HKAB Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 8664922 JRBUMNIZTPATAP-OAQYLSRUSA-N 416.864 5.208 0 40 HKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1cccnc1Cl 8755376 UNMPEQQPWQLOPY-UHFFFAOYSA-N 421.909 5.788 0 40 HKAB Cc1cc(-c2csc(Cc3nc4ccccc4s3)n2)c(C)n1C[C@H]1CCCO1 8987615 DNGQWXOJZXJVLE-MRXNPFEDSA-N 409.580 5.608 0 40 HKAB CCC(=O)c1ccc(OCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)cc1 9476845 WNHGXPASFNUVOC-SFHVURJKSA-N 424.547 5.159 0 40 HKAB O=C1/C(=C\c2ccc(Br)cc2)N=C(c2ccccc2)N1Nc1ccccc1 9553836 IYLUYSJGMSUOTB-HMMYKYKNSA-N 418.294 5.106 0 40 HKAB Fc1cccc2c1ncc1c(-c3cccc(Br)c3)nn(-c3ccccc3)c12 9676162 YVCHCCNIMXOLDO-UHFFFAOYSA-N 418.269 6.142 0 40 HKAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)c1cc(Cl)sc1Cl 9814367 RTBKOGICMNXYQL-UHFFFAOYSA-N 416.380 5.685 0 40 HKAB Cc1c(CN2C[C@H](c3ccccc3)C3(CCCC3)C2)c2ccccc2n1CC(=O)O 12132456 FOXNNVVLVRMSGS-HSZRJFAPSA-N 402.538 5.194 0 40 HKAB Cc1cccc(-c2nnc([C@@H](C)OC(=O)c3c4c(nc5ccccc35)CCCC4)o2)c1 12567922 OGFBMCWLPZZBGT-MRXNPFEDSA-N 413.477 5.390 0 40 HKAB Cc1ccc(-c2cs/c(=N\C(=O)c3ccccc3)n2-c2ccc(Cl)cc2)cc1 12570795 XETUIABCAPDWMP-BZZOAKBMSA-N 404.922 5.909 0 40 HKAB CC(C)c1ccc(Nc2nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)s2)cc1 12586755 WQOLAMCWWGBUKO-GASCZTMLSA-N 404.605 5.287 0 40 HKAB CCCc1noc([C@@H](C)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)n1 12896133 FRWZWBBZEYNPHO-OAHLLOKOSA-N 403.511 5.394 0 40 HKAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1cc(Cl)ccc1F 12928171 GFJVKHAAQBKDQZ-NRFANRHFSA-N 400.906 5.127 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)C(c1ccccc1)c1ccccc1 13116246 ICNJYCKFEPTQKA-UHFFFAOYSA-N 422.410 5.057 0 40 HKAB O=C(CSCc1c(F)cccc1Cl)NCCSCc1ccc(Cl)cc1 14154250 CVXNOATYYSXTSU-UHFFFAOYSA-N 418.386 5.415 0 40 HKAB COCc1c(C(=O)N2CCC(c3nc4ccccc4o3)CC2)sc2cccc(F)c12 14236081 ZJHPUQNOHBCZCJ-UHFFFAOYSA-N 424.497 5.348 0 40 HKAB O=C(Oc1ccc(C2CCCCC2)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc12 15583272 ZQUWCCGIOVJCCC-UHFFFAOYSA-N 424.500 5.653 0 40 HKAB Fc1ccc(COc2ccc(Br)cc2CNCc2cccs2)cc1 16430630 SIOPKQKVLKJBTL-UHFFFAOYSA-N 406.320 5.519 0 40 HKAB CC1CCN(c2ccc(NC(=O)COc3cccc4ccccc34)cc2Cl)CC1 17088148 CXFXPNNKFONSGK-UHFFFAOYSA-N 408.929 5.747 0 40 HKAB CCc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 17094189 KEJQZPXRSOQVCP-ACCUITESSA-N 424.953 5.997 0 40 HKAB COc1ccc2nc(CN3CCCC[C@H]3c3nnc(-c4ccsc4)o3)ccc2c1 19563701 NLFNXDWBVNAZKL-FQEVSTJZSA-N 406.511 5.082 0 40 HKAB Cc1nc([C@@]2(O)CCCN(C3CCCCC3)CC2)sc1CCOc1ccccc1 19705418 DQXHCMOFKDFXHZ-XMMPIXPASA-N 414.615 5.079 0 40 HKAB CC(C)C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 20048433 LFHMWZSOAZWYOI-QHCPKHFHSA-N 422.550 5.005 0 40 HKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(CSc2ccccc2)cc1C 20458925 ZPBLLNJIHKAKRM-HSZRJFAPSA-N 405.563 6.392 0 40 HKAB CC(=O)N[C@@H](CC(=O)Nc1ccccc1SCc1ccsc1)c1cccs1 21479535 UJXGOXCOXGDJMM-KRWDZBQOSA-N 416.593 5.308 0 40 HKAB COc1cc(NC(=O)c2ccc(SCc3csc(C)n3)cc2)cc(OC)c1 22466588 MBOFJVWSULFRIE-UHFFFAOYSA-N 400.525 5.013 0 40 HKAB C[C@H]1Cc2cc(-c3cc(C(=O)Nc4ccccc4C(=O)c4ccccc4)no3)ccc2O1 28286987 NEIAZQUQOKLUNM-INIZCTEOSA-N 424.456 5.148 0 40 HKAB Cc1ccccc1O[P@@](=O)(/C=C1\N(C)c2ccccc2C1(C)C)c1ccccc1 32694148 POPVRWWOYJNGOC-YONSCEMOSA-N 403.462 6.246 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(Oc2cnccn2)c1 33137057 OKQGCOAKKDSDHJ-UHFFFAOYSA-N 424.819 5.277 0 40 HKAB CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 33761404 GBXIVGKEKCQXDR-UHFFFAOYSA-N 422.550 5.227 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)/C=C\c5ccccc5)CC[C@@]43C)[C@@H]1CCC2=O 36611994 BHWKXKHBCVBVDP-UTYAACQKSA-N 418.577 6.144 0 40 HKAB Cc1ccc(NC(=O)Cn2c(-c3ccc(Br)cc3)nc3ccccc32)cc1 40307563 UKAAGQKACXWKPM-UHFFFAOYSA-N 420.310 5.413 0 40 HKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 44086041 MYCYAGQJOQWGHU-UHFFFAOYSA-N 413.546 5.887 0 40 HKAB CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(-c3ccccc3)cc1)NC2 55214602 YMBJUTJKIOXNDY-NDEPHWFRSA-N 424.544 6.134 0 40 HKAB Cc1cc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)ccc1Br 57315790 XPHAKUONQKRLFJ-UHFFFAOYSA-N 404.348 5.851 0 40 HKAB Cc1nc(CSc2ccc(C(=O)N(C)CCCNc3ccccc3)cc2)cs1 58225793 IQRBJJLNRHIZAV-UHFFFAOYSA-N 411.596 5.318 0 40 HKAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(Br)cc1 59461314 ZHWQDHWUGWPNAK-UHFFFAOYSA-N 415.268 5.678 0 40 HKAB CCCCc1ccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc1 64472427 YROUEJHBWNUGIX-UHFFFAOYSA-N 400.547 6.801 0 40 HKAB COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)cc1 67190118 JKWGKFYELXMVPN-RWEWTDSWSA-N 419.868 5.283 0 40 HKAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nccs2)cc1Cl 67296171 AJJVLKSBTKRUJN-NMWGTECJSA-N 411.870 5.036 0 40 HKAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cc(F)ccc2Cl)n1 67297944 CIXJILRJGVFJMI-ROMGYVFFSA-N 423.831 5.119 0 40 HKAB O=C(CCOc1ccccc1-c1ccccc1)N1CCCCC[C@H]1c1ccncc1 71798121 KNYNFGFIQSHSOB-DEOSSOPVSA-N 400.522 5.661 0 40 HKAB O=C(Nc1ccc(F)cc1F)NC1(c2nc(-c3ccsc3)no2)CCCCC1 77197583 YEOMFSZWJOMCKV-UHFFFAOYSA-N 404.442 5.057 0 40 HKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Sc4ccccc4)o3)C2=O)cc1 106703425 XCMJYCSPNHPZCT-UYRXBGFRSA-N 407.516 5.976 0 40 HKAB Cc1cccc(Nc2nc(-c3ccc(Oc4ccccc4)cc3)c(CC(=O)O)s2)c1 137874873 XUESAMNALBEVIN-UHFFFAOYSA-N 416.502 6.282 0 40 HKAB O=C(Nc1cccc(-c2csc(Nc3ccc(F)cc3F)n2)c1)C1CCOCC1 208007410 BIYYDOMSGAWSQU-UHFFFAOYSA-N 415.465 5.197 0 40 HKAB CC[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(C)c(C)c1 218991980 GQWNAHDSPKWDAI-DEOSSOPVSA-N 407.941 6.417 0 40 HKAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 222650507 RPPZMVIMSZRMEF-UHFFFAOYSA-N 403.522 5.454 0 40 HKAB O=C(COc1ccc2ccccc2c1Br)NCc1ccc2ccccc2c1 222786888 GJGPQRVVEGOACH-UHFFFAOYSA-N 420.306 5.451 0 40 HKAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(Br)cc2Cl)cc1C 223451612 UTSAWTCMJRBLLT-AWEZNQCLSA-N 410.739 5.284 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1cccc(Cl)c1 224148080 HMIZWPFQZGUCRV-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 224237049 MHVXHAAEJQHVRC-OAQYLSRUSA-N 419.587 5.201 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C(=O)OC 225755402 FFHNQXRYMYFDRA-SFHVURJKSA-N 409.526 5.491 0 40 HKAB Cc1ccc(NC(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1Cl 225831690 QRTCVIAAAHOORX-UHFFFAOYSA-N 417.896 5.937 0 40 HKAB Cn1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(=O)c2ccccc21 408713174 NAUKHINLVUQTKX-UHFFFAOYSA-N 404.853 5.237 0 40 HKAB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)c2ccccc21 409114663 IALJBEXRWIJUGN-ZHZULCJRSA-N 419.908 5.835 0 40 HKAB Cc1ccc(N2CCN(C(=O)c3sc4cccc(Cl)c4c3Cl)C[C@@H]2C)cc1 657449 MBZQPLFGDJWNHN-AWEZNQCLSA-N 419.377 5.867 0 40 HKAB CCc1ccc2c(c1)cc(C)c1nnc(SCC(=O)Nc3ccccc3Cl)n12 877160 WHGWCJABSQVOOR-UHFFFAOYSA-N 410.930 5.138 0 40 HKAB Cc1nn(-c2ccccc2)c(Cl)c1CN(C(=O)c1ccccc1)c1ccccc1 892425 KKPHDSWJKILALF-UHFFFAOYSA-N 401.897 5.681 0 40 HKAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)COc2ccc(Cl)cc2)c1 1006574 GDCREAKJMLVGFW-UHFFFAOYSA-N 424.884 5.009 0 40 HKAB Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 1380086 DGUHYQUQRNUSTK-OAQYLSRUSA-N 408.523 5.096 0 40 HKAB CC(C)(C)c1cc(C(=O)OCc2ccc(Br)cc2)cc(C(C)(C)C)c1 1858653 OGQSTVIWQAJSSF-UHFFFAOYSA-N 403.360 6.401 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 1944440 OBSHZMYJIGVFST-OAHLLOKOSA-N 415.555 5.093 0 40 HKAB COc1ccc([C@H]2OC[C@@]3(COC(=O)c4ccccc4)[C@@H](C)C=C(C)[C@H]2[C@H]3C)cc1 2126699 VGRINMHUNLQXBU-QXNAMNINSA-N 406.522 5.458 0 40 HKAB CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CCC(C)C)CC[C@]4(C)[C@@H]3CC[C@]12C 2159317 YDDVOKKQEBUWJE-ITNQQCFBSA-N 414.630 6.502 0 40 HKAB CCCCOc1cccc(-c2nnc(NC(=O)Nc3cccc(Cl)c3)s2)c1 2325044 SLOJJPHMQFVWRA-UHFFFAOYSA-N 402.907 5.681 0 40 HKAB CCCCCOC(=O)c1c(N)n(-c2cccc(CC)c2)c2nc3ccccc3nc12 2401382 SCSRCAMVGUUSMP-UHFFFAOYSA-N 402.498 5.065 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1C 2630179 QQXPFGJAKKYDJK-UHFFFAOYSA-N 412.411 5.827 0 40 HKAB CC(C)CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1 2721789 HIESVLFRVDIBKG-UHFFFAOYSA-N 413.973 5.637 0 40 HKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@H]1C[C@H]1c1ccccc1 2748293 HOSZHCVOPWHUHI-ROUUACIJSA-N 409.482 5.473 0 40 HKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 2790732 MANTZBUXHNJQFY-UHFFFAOYSA-N 421.349 6.223 0 40 HKAB Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)Nc2cccc(Br)c2)cc1 3060807 HIFIKBYPNBWHCA-QFIPXVFZSA-N 420.350 6.011 0 40 HKAB FC(F)(F)c1cnc(-n2cnc(COc3ccc(Cl)cc3Cl)n2)c(Cl)c1 3070004 RGIRUEOCIIFEMQ-UHFFFAOYSA-N 423.609 5.220 0 40 HKAB O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)NC1CCCCCC1 3290789 BBQJPLPZHSJXME-UHFFFAOYSA-N 424.566 5.062 0 40 HKAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)Nc1ccc(Cl)cn1 3446638 XIYUYDSVBQBBIT-UHFFFAOYSA-N 412.927 5.138 0 40 HKAB O=S1(=O)c2ccccc2N[C@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccccc1 3633440 AZLCFWXQPXOFSA-FQEVSTJZSA-N 419.333 5.309 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nc3c(s2)CCc2ccc(OC)cc2-3)cc1 3651755 JZTLZOUPSVWHOK-UHFFFAOYSA-N 408.523 5.349 0 40 HKAB O=C(Oc1ccc2ccccc2c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 4129624 WYDSINMUVRXVBN-UHFFFAOYSA-N 409.872 6.928 0 40 HKAB Cc1cc(C)cc(NC(=O)CN2C(=O)C[C@@H](c3ccco3)Sc3ccccc32)c1 4162810 FDIRDBLQNAORIJ-NRFANRHFSA-N 406.507 5.105 0 40 HKAB Cc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C(=O)c2ccc(C)cc2)cc1 4231036 ZFDSETPTEMTHCP-UHFFFAOYSA-N 424.544 5.604 0 40 HKAB Clc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1ccccc1)O2 5216203 IIBBTTLBJOBAGV-WMZHIEFXSA-N 404.853 5.311 0 40 HKAB Cc1ccc(C)c(CSc2nnc(-c3ccccc3Cl)n2Cc2ccco2)c1 5501187 MONZVAOSVAQSDX-UHFFFAOYSA-N 409.942 6.149 0 40 HKAB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccccc1 5588724 LQLUWEISDMSMFF-UHFFFAOYSA-N 406.898 5.010 0 40 HKAB CC(C)c1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 6201378 UEBSVXJYMLYXAA-UHFFFAOYSA-N 417.892 6.489 0 40 HKAB CC1=C(C)[C@@H](c2c(-c3ccc(C)cc3)n(C)c3ccccc23)N(C[C@@H]2CCCO2)C1=O 6256124 VVKODPBZFVFIQS-OFVILXPXSA-N 414.549 5.552 0 40 HKAB CCOc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(OC)c(OC)c2)c(O)c1 6669439 NZJBTKIHHPPPKL-UHFFFAOYSA-N 409.360 5.149 0 40 HKAB biogenic COc1ccc(CN(Cc2cccs2)C(=O)c2ccc(Cl)s2)cc1OC 6881260 DHWDVFCYHHPJRW-UHFFFAOYSA-N 407.944 5.323 0 40 HKAB Cc1ccc([C@H]2C[C@H]2c2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)cc1 6923609 YYJZSGGIAMLBNS-BHIYHBOVSA-N 416.594 6.070 0 40 HKAB CC(C)n1c(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)nc2ccccc21 7243273 IHCVXGVQOVNCCY-QFIPXVFZSA-N 421.591 5.677 0 40 HKAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N1CCc2ccccc2C1 8133765 YILTUBXUFBJKQG-UHFFFAOYSA-N 416.471 5.631 0 40 HKAB COc1cc(CNC2CCCCCC2)cc(Cl)c1OCc1ccccc1Cl 8470403 RTTOCLQBBQHVCO-UHFFFAOYSA-N 408.369 6.393 0 40 HKAB CC(C)c1ccc(-c2nc3cc(NC(=O)COc4ccccc4F)ccc3o2)cc1 8903046 CYNDOSVAUBSAAM-UHFFFAOYSA-N 404.441 5.775 0 40 HKAB Cc1cc(C)c2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccccc3C)c2c1 9341577 ALGXQBGRAZZGNO-UHFFFAOYSA-N 423.468 6.384 0 40 HKAB biogenic O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1cn(Cc2ccccc2)nc1-c1cccnc1 9377251 NWGLJVNVLVWDOX-QZNHQXDQSA-N 414.553 5.082 0 40 HKAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc21 10972321 XXAGABKHMZTXBS-UHFFFAOYSA-N 414.505 5.377 0 40 HKAB C[C@@H](c1nnc(-c2ccc(F)cc2)o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 12617717 GMZGSFXWGBIZMI-GOEBONIOSA-N 408.502 5.426 0 40 HKAB CCOc1ccccc1-c1nc(CC(=O)Nc2cc(Cl)ccc2Cl)cs1 12619782 JPIIZFBRPRKQAW-UHFFFAOYSA-N 407.322 5.697 0 40 HKAB O=C(NC1CCCCC1)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 12654155 NZOSCHWTZIHJOW-UHFFFAOYSA-N 416.953 5.567 0 40 HKAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)c1ccc(Cl)s1 12659539 VCVZHLQLXMWSEU-UHFFFAOYSA-N 412.967 5.969 0 40 HKAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCCc1ccc(Cl)cc1 12878187 FHTSHSZKZPSEDF-UHFFFAOYSA-N 424.875 5.384 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(Cl)cc3)c3ccccc3)cc2c1 13688957 TYNSONGXFYZFPU-UHFFFAOYSA-N 402.881 5.337 0 40 HKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 13708398 NYFMZKQZIZAAGT-IBGZPJMESA-N 413.542 6.538 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3nc(-c4cc(Cl)c(O)c(Cl)c4)[nH]c(=O)c23)C1 13898682 YVOSRVGANKWOOE-JTQLQIEISA-N 423.365 5.815 0 40 HKAB Cc1c([C@H]2c3ccccc3C(=O)N2C23CC4CC(CC(C4)C2)C3)c2ccccc2n1C 13944007 BMAJRQDRLPPAKW-JUYOQADGSA-N 410.561 6.001 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)COc4cccc5ccccc45)ccc3o2)c(C)c1 17093071 GXJVBRYPSMOMQS-UHFFFAOYSA-N 422.484 6.282 0 40 HKAB CC(C)(C)C(=O)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccc(Cl)c3)CC[C@H]21 19081627 PWTYQEPNHPXBCJ-NJDAHSKKSA-N 417.018 5.264 0 40 HKAB COc1ccc(CN2CCCC[C@@H]2C[C@@H](NC(=O)CC(C)(C)C)c2ccccn2)cc1 19082752 LZRSCGNUDVLUTL-ZJSXRUAMSA-N 423.601 5.129 0 40 HKAB CCn1cc(CN2CCCCC[C@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)c(C)n1 19524551 SZUNTWYHWJYKFG-NRFANRHFSA-N 424.545 5.001 0 40 HKAB CC(C)C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccccc1 20048430 LFHMWZSOAZWYOI-HSZRJFAPSA-N 422.550 5.005 0 40 HKAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1cccc(OCc2ccccc2)c1 20144948 WDUKGWMOAUPIDT-UHFFFAOYSA-N 416.260 5.523 0 40 HKAB COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2Cc2ccccc2Cl)cc1 20248343 BHWGEPHIBLAIRN-VWLOTQADSA-N 402.925 5.978 0 40 HKAB biogenic,in-vitro CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1ccc(CC)cc1 21005535 YYTWMTFVTDDDLX-RUZDIDTESA-N 423.516 5.588 0 40 HKAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc2c(c1)CCCC2 21398298 AXSXTFRQRRBNBE-OAHLLOKOSA-N 410.464 5.309 0 40 HKAB Cc1cc(C(=O)CSc2nc3ccc(Cl)cc3o2)c(C)n1C[C@H]1CCCO1 22218860 ZMKDLCRSKKSWQN-OAHLLOKOSA-N 404.919 5.054 0 40 HKAB CCc1ccc(Nc2cc(C)nc3c(C)c(-c4ccc(OC)c(OC)c4)nn23)cc1 23118904 KXKIDMGZXMOOIT-UHFFFAOYSA-N 402.498 5.336 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2ccc(Br)cc2)N2CCCCCC2)cc1 27795381 WKPDUPIFYODMQF-NRFANRHFSA-N 415.375 5.105 0 40 HKAB O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCCCC1)c1cc(-c2ccccc2)on1 28296074 DVARHSQEVMHKGG-JOCHJYFZSA-N 423.944 5.342 0 40 HKAB Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)Nc1ccccc1 28306113 XEOSRFJWVMIXKY-UHFFFAOYSA-N 405.285 5.487 0 40 HKAB C[C@@H](N[C@H](c1ccccc1)c1cccs1)C(=O)Nc1cccc(Br)c1 57593881 LAWMZDSMQXGDAW-AUUYWEPGSA-N 415.356 5.217 0 40 HKAB Cc1cc(-c2csc(C(C)C)n2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 58404538 YDQUCVODKAWLIV-UHFFFAOYSA-N 406.555 5.139 0 40 HKAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1cccc(C(F)(F)F)c1)C3 61997697 NSXWXDZABNOMJJ-UHFFFAOYSA-N 403.400 5.089 0 40 HKAB biogenic CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72215035 ZTDLPPDAYZROPM-SFHVURJKSA-N 419.566 5.695 0 40 HKAB Cc1ccc(-n2ncc(NCc3cccc4cccnc34)c(Cl)c2=O)cc1Cl 84183119 FLRDOMQSZQVWSI-UHFFFAOYSA-N 411.292 5.008 0 40 HKAB CCOC(=O)CP(=O)(Oc1ccc2ccccc2c1)Oc1ccc2ccccc2c1 95215247 WZDRXRQRWUGARV-UHFFFAOYSA-N 420.401 6.207 0 40 HKAB CCc1ccccc1NC(=O)Nc1c(NC2CCCCC2)c2ccccc2oc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rc1ccc(-n2c3ccc4ccccc4c3c3c4ccccc4ccc32)cc1 208619519 DQPNLJBOHKHPLT-UHFFFAOYSA-N 422.325 7.853 0 40 HKAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222803866 UOEBLZNOWNQHCJ-OALUTQOASA-N 418.349 5.641 0 40 HKAB CCCOCc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OC 224416710 IWSHMSPDELIPAP-UHFFFAOYSA-N 403.522 5.464 0 40 HKAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1COC(C)C 224426335 GPZMQGGPDZZRSN-UHFFFAOYSA-N 401.812 5.545 0 40 HKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 224439829 MEBSDPPCWTXPGJ-PKTZIBPZSA-N 414.509 5.189 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCSCc1ccccc1Cl 225323446 BYNFXYOAQFBLIC-UHFFFAOYSA-N 402.774 5.629 0 40 HKAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(Br)cc1F)CC(C)(C)O2 225674752 WCLRPUGPFCFRSV-INIZCTEOSA-N 423.351 5.485 0 40 HKAB COC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCC2)ccc1OCC(C)C 225681403 AWLKHCLGLOCLSD-UHFFFAOYSA-N 413.489 5.098 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c2ccccc12 225682583 DNODRESAULILOT-GOSISDBHSA-N 405.513 6.607 0 40 HKAB C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(OC2CCCC2)cc1 225741375 BQJSSPMYAMATKF-SFHVURJKSA-N 409.599 5.136 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OC(C)C)c(C(=O)OCC)c2)CCCCCC1 225852580 FWNRWZMQPJWWMG-UHFFFAOYSA-N 405.535 5.109 0 40 HKAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)COCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)C1 226069983 DKQZZSIPHROKMK-FUPPJEDESA-N 419.650 5.135 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)/C=C\c5ccccc5)CC[C@@]43C)[C@H]1CCC2=O 252426432 BHWKXKHBCVBVDP-XOMGTZDGSA-N 418.577 6.144 0 40 HKAB S=C(NCc1ccc2c(c1)OCO2)c1ccc(OCc2ccc(Cl)cc2)cc1 408572408 GTXWCOXHVZMTTF-UHFFFAOYSA-N 411.910 5.113 0 40 HKAB S=C(NCc1ccc2c(c1)OCO2)c1cccc(OCc2ccccc2Cl)c1 408572662 HOYNTNNLWAFLNU-UHFFFAOYSA-N 411.910 5.113 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc3ccccc23)cc1 408675557 ISAOUAIGSKOSDZ-UHFFFAOYSA-N 420.468 5.590 0 40 HKAB O=C(Nc1cccc2ccccc12)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408677162 QIHVXRXCTMFQPW-UHFFFAOYSA-N 408.432 5.720 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(OC)cc3)n2)cc1 408696605 BDLAFBMCNDGKLY-UHFFFAOYSA-N 412.493 5.066 0 40 HKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1Sc1ccccc1 408705794 NPDIZHGHJZTZBU-GOSISDBHSA-N 405.563 6.541 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(F)cc3)cc2-c2ccc3ccccc3c2)c1 408727893 YSIFCSPQRQLKRQ-UHFFFAOYSA-N 421.475 6.392 0 40 HKAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 409105384 IXHIDXMICKHHJR-YBEGLDIGSA-N 423.312 6.477 0 40 HKAB CCc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)cc1 409115383 IYQAIAZEXIHROX-UHFFFAOYSA-N 404.312 6.886 0 40 HKAB CCCN1C(=O)S/C(=C\c2cn(Cc3ccc(F)cc3)c3c(CC)cccc23)C1=O 409138431 BQDHQBYRZLYYNZ-BKUYFWCQSA-N 422.525 5.837 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1 409261297 CNTORCWFEGIWEV-UHFFFAOYSA-N 422.764 7.191 0 40 HKAB Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2nc(-c3ccc(F)cc3)ccc12 661641 XDIYYFCEDYHTHC-UHFFFAOYSA-N 415.852 5.729 0 40 HKAB CC(C)(C)[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(Cl)cn4)c(N)c3cc2C1 691717 CFXPJRNSZFFEKJ-GFCCVEGCSA-N 414.962 5.330 0 40 HKAB Cc1ccc(-c2nnn([C@H](C)C(=O)N3c4ccccc4Sc4ccccc43)n2)cc1 932065 XJJUBHXLVOULGN-MRXNPFEDSA-N 413.506 5.039 0 40 HKAB O=C(COC(=O)/C=C/c1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1Cl 952123 KRBNKUZSGXYXEH-QHHAFSJGSA-N 419.091 5.495 0 40 HKAB O=C(/C=C/C(=O)N1c2ccccc2Sc2ccccc21)c1cccc([N+](=O)[O-])c1 1086638 QSENMNNFXTXAQC-OUKQBFOZSA-N 402.431 5.163 0 40 HKAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc4ccccc4c3)c3ccccc32)cc1 1320509 FUICWQAPRHSSOE-MUUNZHRXSA-N 421.496 5.156 0 40 HKAB O=C(Nc1ccccc1Cl)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1 1369041 JWMBMROYEFZTDP-OALUTQOASA-N 401.913 5.186 0 40 HKAB CCCCCCOc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1OC 1774143 KGPVYKJCGXKEGO-XYOKQWHBSA-N 411.498 5.077 0 40 HKAB CCc1ccc(Oc2coc3cc(OC(=O)/C=C/c4ccccc4)ccc3c2=O)cc1 1775095 CZSIGYXNKJOYQI-XNTDXEJSSA-N 412.441 5.767 0 40 HKAB CC[C@@H](C)OC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1 1915062 GSHOHWXKMGGJOT-KGLIPLIRSA-N 400.858 5.222 0 40 HKAB CC(C)c1ccc([C@H](O)[P@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 2361197 IKIKBTCKJMZFEA-FYBSXPHGSA-N 423.493 5.687 0 40 HKAB COc1ccc(C)cc1NC(=O)COc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2645467 MORDMEDWMNFJBI-UHFFFAOYSA-N 407.310 5.059 0 40 HKAB Cc1sc(Nc2ccccc2C(F)(F)F)nc1-c1ccc(OC(F)F)cc1 2664112 RGFYSYKIWOAKRG-UHFFFAOYSA-N 400.372 6.482 0 40 HKAB Cc1ccc(C2=C[C@H](c3ccc(Cl)cc3Cl)n3c(nc4ccccc43)N2)cc1 2915352 GDNFOQROBBTMGN-JOCHJYFZSA-N 406.316 6.708 0 40 HKAB O=C(Nc1ccccc1Sc1ccc(Cl)cc1)c1c(Cl)nc2sccn12 3230611 DPJGTPYVMKJESA-UHFFFAOYSA-N 420.346 6.106 0 40 HKAB CC(C)c1ccccc1NC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 3273151 JSQZAZVDWZVMFH-UHFFFAOYSA-N 413.473 5.601 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(S[C@@H]3CCCCC3=O)n2Cc2ccccc2)cc1 3307708 LGQVJPNVFGXSOK-JOCHJYFZSA-N 419.594 5.895 0 40 HKAB CCOC(=O)c1sc(NC(=O)CCSc2ccccc2)nc1-c1ccccc1 4078588 FPGBYIWSOXSLTM-UHFFFAOYSA-N 412.536 5.108 0 40 HKAB CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 4081882 JZVFJDZBLUFKCA-AEMULQTRSA-N 412.702 7.801 0 40 HKAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 4089786 WPJHISKPDMIYAE-UHFFFAOYSA-N 408.910 5.047 0 40 HKAB Clc1ccc(C2=Nc3ccc(Br)cc3C(c3ccccc3)=NN2)cc1 4129729 HHDPFGBRQGCGLZ-UHFFFAOYSA-N 410.702 5.536 0 40 HKAB CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Nc3ccccc3)c2c1 4335250 LUIHRXADJBFUEB-UHFFFAOYSA-N 404.491 5.210 0 40 HKAB COc1ccccc1-c1nnc(SCC(=O)n2c3ccccc3c3ccccc32)o1 4668880 IRYXCHZMAGBBAM-UHFFFAOYSA-N 415.474 5.286 0 40 HKAB CCOc1cc(-c2ccc(O)cc2)c/c(=N\c2ccc(C)cc2C)c2c(C)oc(C)c12 5396476 QGZBCRYIMGIVKT-ZZIIXHQDSA-N 413.517 6.670 0 40 HKAB Cc1nc2c(-c3ccccc3)c(C)nn2c(N2CCC(C)CC2)c1Cc1ccccc1 5557175 GAFVBVHZWCJWBV-UHFFFAOYSA-N 410.565 5.840 0 40 HKAB CCc1cc([C@@H](c2ccccc2F)N2CCCCC2)c(NC(=O)c2ccccc2)s1 5575983 BAPANJFOHUMVON-HSZRJFAPSA-N 422.569 6.277 0 40 HKAB COc1ccc(OC)c(-c2nc(C(=O)NCCC(C)C)cc3c2[nH]c2ccccc23)c1 5825444 BVMWFRDJLKZYJO-UHFFFAOYSA-N 417.509 5.176 0 40 HKAB biogenic C[C@@H](CCOC(=O)/C=C/c1ccccc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 5880891 BQTJPWNKVBLPMO-KQDNUWKFSA-N 408.582 6.737 0 40 HKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cccc(Cl)c1 6047268 QTJXUPBBKKJRMP-UHFFFAOYSA-N 403.862 5.637 0 40 HKAB CCc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccccc4Cl)c3)nc2c1 6168945 XLYFLBHTKOSTOL-UHFFFAOYSA-N 420.896 6.037 0 40 HKAB Cc1cc(C(=O)CSc2nnc(C3CCCCC3)o2)c(C)n1Cc1ccccc1 6374249 UTVKCDABZJLVFT-UHFFFAOYSA-N 409.555 5.559 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1 7004104 BFKQAEGPKWJYPT-UHFFFAOYSA-N 416.912 5.820 0 40 HKAB Cc1c(Cl)c(CSc2nnc(C3CC3)n2Cc2ccccc2)nc2ccccc12 8394056 YVHVNQHKTCYCHK-UHFFFAOYSA-N 420.969 6.006 0 40 HKAB O=C(CSC1=Nc2ccccc2[C@@H]2CC=NN12)Nc1ccccc1-c1ccccc1 8924582 HNIOBGSMBHRONN-QFIPXVFZSA-N 412.518 5.459 0 40 HKAB Cc1ccc(CN2CCC(C(=O)Nc3ccccc3Sc3ccccc3)CC2)cc1 9063161 ASUOEGHFXFSAOJ-UHFFFAOYSA-N 416.590 5.997 0 40 HKAB COc1ccccc1-c1cc(-c2ccccc2)c2c(n1)sc1c(O)cc(=O)[nH]c12 9087703 RECABWCLNIAOFK-UHFFFAOYSA-N 400.459 5.186 0 40 HKAB Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)n1 9210986 DQDBWJUFTHQGFG-FQEVSTJZSA-N 420.827 5.039 0 40 HKAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1cc(Cl)ccc1Cl 9274900 ZPULNIXHFRCAQL-UHFFFAOYSA-N 403.052 5.603 0 40 HKAB CCn1cnnc1Sc1nc(/C=C/c2ccccc2)nc2sc3c(c12)CCCC3 9336379 AEXSTBXPTUPJDV-OUKQBFOZSA-N 419.579 5.503 0 40 HKAB O=C(Nc1nnc(SCc2cccs2)s1)C(c1ccccc1)c1ccccc1 9337539 ZLSURUSWJBIWBX-UHFFFAOYSA-N 423.588 5.663 0 40 HKAB CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)n1 9573404 NQNQTKAHPFJSOG-UHFFFAOYSA-N 409.921 5.281 0 40 HKAB O=C(Nc1c(F)cc(F)cc1Br)c1cc(-c2cccc(Cl)c2)on1 9597871 QBGBYEKNEFVEIR-UHFFFAOYSA-N 413.605 5.288 0 40 HKAB COc1cccc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1 12371565 ZCZZUKCSQLQMSS-OQNHBUHUSA-N 414.530 5.368 0 40 HKAB O=C(NCc1cccs1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 12542318 VYZLGTMQJGVUGL-UHFFFAOYSA-N 423.335 5.656 0 40 HKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1c(F)cccc1Cl 13708448 FAPYORZYLFOFRP-OAHLLOKOSA-N 417.933 5.449 0 40 HKAB COc1ccc([C@H]2NC(=O)NC(c3ccccc3)=C2c2nc3ccccc3s2)cc1 15974627 VQMJNYZFUBUAIM-JOCHJYFZSA-N 413.502 5.227 0 40 HKAB aggregator CC[C@@H](C)n1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nc2ccccc2c1=O 16798776 CQMPHSCUWZCHMQ-SJORKVTESA-N 423.582 5.610 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1 17045857 MVFSTYUQVBVRDY-UHFFFAOYSA-N 421.353 6.453 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)COc1cccc2ccccc12 17094026 RPVQRRFNWJUQAK-UHFFFAOYSA-N 424.525 6.442 0 40 HKAB O=C(Nc1cccc2cccnc12)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 18186182 GMGTZIZLZSFOKM-UHFFFAOYSA-N 409.367 5.693 0 40 HKAB CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1 19081739 YSGHOMVLHJUMCA-RBBKRZOGSA-N 413.993 5.383 0 40 HKAB O=C(CC1CCCCC1)N1CCC([C@@H]2CCCCN(Cc3ccccc3)C2=O)CC1 19744884 DSPJFUBERLOYBS-DEOSSOPVSA-N 410.602 5.024 0 40 HKAB COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2CC2CCCCC2)nc1C 19755614 CZEZOZUHSHKRJK-JOCHJYFZSA-N 422.573 5.153 0 40 HKAB C[C@@]12CC3CC(C(=O)Nc4nc5ccc(Br)cc5s4)(C1)C[C@](C)(C3)C2 20502901 FWSFDMSBICPTCC-UWMIKVSISA-N 419.388 5.994 0 40 HKAB CCN1CCc2nc(NC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)sc2C1 21294602 NQFXOCVJWSZAQA-UHFFFAOYSA-N 421.444 5.052 0 40 HKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)C1 30945654 SFGLOQFBRJVOQI-CYBMUJFWSA-N 411.760 6.131 0 40 HKAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1OC(F)F 32996015 UVURLLVWZAUTLV-IBGZPJMESA-N 406.432 5.331 0 40 HKAB COc1ccc([C@@H]2CCCN2C(=O)c2sc3ccccc3c2Cl)cc1OC 36395329 RWTRIGWFUPKILS-HNNXBMFYSA-N 401.915 5.549 0 40 HKAB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc2ccccc12 57215313 QBQWWLGCRVKBKK-UHFFFAOYSA-N 421.544 5.414 0 40 HKAB CCCc1sc(NC(=O)c2ccccc2Br)nc1-c1ccccc1 59482630 PPAOCPZELBAQRI-UHFFFAOYSA-N 401.329 5.777 0 40 HKAB FC(F)(F)c1cccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc23)c1 67262204 MJAJIWVMHQDQJT-UHFFFAOYSA-N 419.410 5.575 0 40 HKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1)C1CCC1 72215449 WANZOOBKINOHSO-NRFANRHFSA-N 421.541 5.353 0 40 HKAB CCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@](C)(OC(=O)CC)[C@@]4(C)CC[C@@H]32)C1 85210714 YUKFLTKJFMBYJM-XBIABUBVSA-N 416.602 5.983 0 40 HKAB Cc1noc(C)c1CN(C)C(=O)Nc1ccc(Oc2ccccc2)cc1C(F)(F)F 89529311 DNYLDEYAEGAOEC-UHFFFAOYSA-N 419.403 5.766 0 40 HKAB O=C(Nc1ccc(Nc2ccccc2)cc1)[C@H]1CC2(CCNCC2)Oc2ccccc21 96268115 MYRFWUSZSJAKJJ-QHCPKHFHSA-N 413.521 5.057 0 40 HKAB CC(C)(C)c1ccc([C@H]2c3sc(=O)[nH]c3SC[C@H]2C(=O)Nc2ccccc2)cc1 96318930 SQUIFESTTXZYPU-QZTJIDSGSA-N 424.591 5.226 0 40 HKAB COc1cc(C)c(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1OC 102934379 VOYUIBWFRCNMGJ-VKFLQFAXSA-N 422.363 5.075 0 40 HKAB Cc1ccc(N/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)c3ccccc32)c(C)c1 102977902 YKVPDKIDQZVIIG-KGENOOAVSA-N 402.881 5.597 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 103718413 QCRBXKMXICFPEF-VIFPVBQESA-N 418.107 5.292 0 40 HKAB COc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccc(Cl)cc1Cl 107698084 RGNHDRYJMVICMW-UHFFFAOYSA-N 424.393 5.988 0 40 HKAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 113443624 FSMHILWOXMLJRX-UHFFFAOYSA-N 408.473 5.162 0 40 HKAB CCc1ccccc1NC(=O)c1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 224179997 JVZZBDNEMYSQIK-UHFFFAOYSA-N 417.549 6.386 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccc(Cl)c(C)c1 224204491 KGHFMZOQMMYBQE-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB CCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224613779 BXHJOINLLKCGHH-UHFFFAOYSA-N 402.343 5.341 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1cc(C)cc(C)c1C 224616780 RNLUJEGUDPOLTR-UHFFFAOYSA-N 421.512 5.659 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3cccc4c3CCCC4)ccc21 225081437 ZFGTYJXZEDDCJH-GOSISDBHSA-N 412.533 6.099 0 40 HKAB Cc1ccc(CSCCNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225294276 RGRHDGPGMYFVSA-UHFFFAOYSA-N 400.613 5.536 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)c(C)c1 225303560 LKHMHJCTCOKCMW-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB FC(F)(F)c1cccc(C2=N[C@H](c3ccccc3)c3ccccc3-n3cccc32)c1 225373867 DPZXEOBKILWLSS-HSZRJFAPSA-N 402.419 6.437 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)c1 225500235 RDJKSILYNKCUMG-NRFANRHFSA-N 414.571 5.254 0 40 HKAB CCOC(=O)c1cccc(NC(=S)NCCCSCc2cccc(C)c2)c1C 225604406 VWBVMMDKROKFGQ-UHFFFAOYSA-N 416.612 5.090 0 40 HKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)C(C)C 225760692 ZQAKMTQMGPZJBE-KRWDZBQOSA-N 400.897 6.351 0 40 HKAB Oc1nc(-c2ccc(-c3ccc(Cl)cc3)o2)nc2ccc(Br)cc12 253535992 AABNFDUGQQGJIP-UHFFFAOYSA-N 401.647 5.678 0 40 HKAB O=C(c1ccccc1)N1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1 257273907 NISHHKFISUVSTC-UHFFFAOYSA-N 424.466 5.711 0 40 HKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@H](C)C2)cc1 260818161 WBKAZQBLMDNYLQ-STWLZBDKSA-N 418.622 5.213 0 40 HKAB O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1ccc(Cl)cc1Cl 408527120 ASIBFVWNEDSUSD-UHFFFAOYSA-N 421.283 6.337 0 40 HKAB CCc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(CC)c1-c1ccc(C)c(C)c1 408563354 VLCKTFDSHRAPDP-RFBIWTDZSA-N 420.622 6.454 0 40 HKAB O=C(COc1ccc(CNc2ccc(F)c(Cl)c2)cc1Cl)Nc1ccccc1 408613700 ZLCUCUMFFVKEEI-UHFFFAOYSA-N 419.283 5.762 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccccc2)c1 408694677 LSCYTNSIAXMLAL-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(Cl)cc3)n2)cc1 408696326 ZTFNJLQXKSTDBU-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB COc1cccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c1 408817039 STNQUFDRXFNWFT-FUZNGBCKSA-N 407.559 5.749 0 40 HKAB O=C1N/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1c1cccc(Cl)c1 409100771 VCXAENUDZICRHP-UDWIEESQSA-N 422.843 5.155 0 40 HKAB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)c2ccccc21 409112660 FWTWQYDSCZLJGH-UYRXBGFRSA-N 424.327 6.480 0 40 HKAB Cc1c(Cl)cccc1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 409114339 GWELTDQFQRAKKV-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB CCC(=O)Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c1 409171636 BPTYXFJRUONSCJ-HSZRJFAPSA-N 421.880 5.470 0 40 HKAB O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 524733574 WCYKLTIXDQVNKJ-VXKWHMMOSA-N 418.928 5.361 0 40 HKAB O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ccc(Cl)c(Cl)c1 681344 CXHHEZJEQZGDHE-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB CCC(=O)N(CC[C@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccco1 1322979 RTXCJBCDOYBERV-RUZDIDTESA-N 405.538 6.028 0 40 HKAB biogenic CCc1nc(SCC(=O)Nc2cc(Cl)ccc2OC)c2c(C)c(C)sc2n1 1372111 UORKGJOHBSEWII-UHFFFAOYSA-N 421.975 5.263 0 40 HKAB Cc1ccc(C(=O)COc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)cc1 1398603 QZTXPUKQCZTULS-UHFFFAOYSA-N 419.830 5.915 0 40 HKAB CCCN(CCC)C(=O)[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 1670736 NNUJINLVFDXQLW-VWLOTQADSA-N 401.550 5.355 0 40 HKAB Cc1cccc(OCCCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 1773821 NAXUQRDGCKHZGM-UHFFFAOYSA-N 416.546 6.378 0 40 HKAB CN(C1c2ccccc2Oc2ccccc21)S(=O)(=O)c1ccc(Cl)c(Cl)c1 1865399 KTTHTUAIQDCNJC-UHFFFAOYSA-N 420.317 5.509 0 40 HKAB CCOC(=O)c1cccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)c1 1892112 WVSQQSSSVLNRGK-YYADALCUSA-N 403.865 6.162 0 40 HKAB CCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCC1)Cc1ccccc1-2 1895790 UQKYXTJNUWOGHP-UHFFFAOYSA-N 402.563 5.688 0 40 HKAB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)c(OC)c1 2104921 KHTQBWLJEZPZAP-UAUKEORUSA-N 407.554 5.085 0 40 HKAB Cn1c(NC(=O)c2ccc(Cl)cc2Cl)c(-c2ccccn2)c(=O)c2ccccc21 2202158 JVDSUJKPPPETDJ-UHFFFAOYSA-N 424.287 5.160 0 40 HKAB COc1ccc(-c2c(C)oc3cc(OCc4c(F)cccc4Cl)ccc3c2=O)cc1 2247884 GFNDSESGTPBMNK-UHFFFAOYSA-N 424.855 6.149 0 40 HKAB biogenic Fc1cccc(Cl)c1CSc1ncnc2scc(-c3ccc(Cl)cc3)c12 2382035 HRJIMOZDQNMCAG-UHFFFAOYSA-N 421.349 7.097 0 40 HKAB S=C(NCCSc1ccc(Cl)cc1)Nc1ccc(Nc2ccccc2)cc1 2413283 NHBHEUTWDSDTMF-UHFFFAOYSA-N 413.999 6.162 0 40 HKAB Cc1cc(C)n(-c2nnc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)n1 3138507 VXNNKEKDKFGVGH-UHFFFAOYSA-N 402.501 6.280 0 40 HKAB CCOC(=O)c1c(NC(=O)C(C)C)sc(C)c1-c1ccc2cc(OC)ccc2c1 3154332 VDYSHQKKVOXGJT-UHFFFAOYSA-N 411.523 5.657 0 40 HKAB Cc1ccc(N[P@](=O)(/C=C2/N(C)c3ccccc3C2(C)C)c2ccccc2)cc1C 3165801 DGBIDGAQALSJOJ-GAWJTQHISA-N 416.505 6.588 0 40 HKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nc4c(s3)C[C@@H](C)CC4)cc12 3182729 QKDCQTAFWJCWOP-LBPRGKRZSA-N 408.552 5.229 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(NC3CCCCC3)s2)cc1 3318744 HQKJBGYFWPDXLT-AWEZNQCLSA-N 404.605 5.527 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nc3c(s2)CCc2cc(OC)ccc2-3)cc1 3651729 DJZQEHSDDRDCQB-UHFFFAOYSA-N 408.523 5.349 0 40 HKAB CC(C)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3ccccc3c2)cc1 3666296 RNHMYCVIMDJTRN-HHHXNRCGSA-N 422.528 6.646 0 40 HKAB COc1ccc(NCc2nc3ccccc3n2CCOc2ccccc2Cl)cc1 4114833 HYPBVICWORBCIP-UHFFFAOYSA-N 407.901 5.389 0 40 HKAB CCc1ccc(NC(=O)CN2C(=O)C[C@@H](c3ccco3)Sc3ccccc32)cc1 4162821 GPPDMPXNLCPVOK-NRFANRHFSA-N 406.507 5.051 0 40 HKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1 4342001 XIRLMZDNMLLQMS-UHFFFAOYSA-N 400.434 5.336 0 40 HKAB c1ccc(C2(c3ccccc3)SCSC2(c2ccccc2)c2ccccc2)cc1 4350221 VEVOLECXIGJCAC-UHFFFAOYSA-N 410.607 7.312 0 40 HKAB c1ccc(-c2cc(-c3nn4c(-c5cccnc5)nnc4s3)c3ccccc3n2)cc1 4511391 SEMRLTXZRBUZTJ-UHFFFAOYSA-N 406.474 5.130 0 40 HKAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccccc3C)c2c1 4610396 ZMGSIZWKSRIRGV-UHFFFAOYSA-N 400.909 6.678 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)c(OC)c1 4939743 AULLJRSKMSXRFK-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB COc1ccccc1-c1nnc(S[C@@H]2CCCCC2=O)n1-c1ccc(Cl)cc1 5736562 ZEZOKMXEGZGPMP-LJQANCHMSA-N 413.930 5.200 0 40 HKAB O=C(Oc1c(Br)cc(Br)c2ccccc12)N1CCCCC1 5904372 DFKPOXAJNPKGKY-UHFFFAOYSA-N 413.109 5.350 0 40 HKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)cc4)cc3n2)cc1 6264760 BDPILSZREDQACM-UHFFFAOYSA-N 418.928 5.977 0 40 HKAB CCS(=O)(=O)Nc1cccc(-c2cc(-c3ccccc3)c3cc(C)ccc3n2)c1 6485650 AOPLPDRYCIKPJN-UHFFFAOYSA-N 402.519 5.639 0 40 HKAB CCc1cccc(CC)c1NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12 6608872 QAVXSQZOZMTYHQ-UHFFFAOYSA-N 404.297 5.079 0 40 HKAB Cc1nnc2c(NCCC3=CCCCC3)nc3ccc(C(=O)c4ccccc4)cc3n12 6901722 IFULFYHFCHNLRD-UHFFFAOYSA-N 411.509 5.119 0 40 HKAB O=S(=O)(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Cl)s1 7155404 WEUFZGLIGGNXBD-UHFFFAOYSA-N 407.988 5.670 0 40 HKAB COC(=O)c1c(-c2cccs2)csc1NC(=O)CCCOc1ccc(C)cc1 7996273 XTVKKTKFKAEPAX-UHFFFAOYSA-N 415.536 5.369 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)Cc4ccc(Cl)cc4)cc3)nc2c1 8198173 DZJMSPPNTUWUCA-INIZCTEOSA-N 418.924 6.843 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(COc2cc(Cl)ccc2Cl)o1 8275772 OXGXCGSZROWBRM-UHFFFAOYSA-N 402.237 5.586 0 40 HKAB Cc1ccc(-c2nn(CC(=O)Nc3cccc(C)c3)c(=S)n2-c2ccccc2)cc1 8412616 LUMXIDDUBYNGOX-UHFFFAOYSA-N 414.534 5.326 0 40 HKAB CCOc1cccc2cc(C(=O)Nc3nc4c(s3)CSc3ccccc3-4)oc12 8960841 KXBPSHQLNJEBEC-UHFFFAOYSA-N 408.504 5.813 0 40 HKAB O=C(/C=C/c1cc(Cl)ccc1Cl)N1CCC(c2nc3ccccc3[nH]2)CC1 12604418 NJWNHGGZOCKBHO-VMPITWQZSA-N 400.309 5.289 0 40 HKAB CSc1ccc(CN(C)Cn2nc(Nc3ccccc3F)sc2=S)cc1 12813805 LEDVYAWHCZNDBP-UHFFFAOYSA-N 406.577 5.368 0 40 HKAB CSc1ccc(-c2csc(NC(=O)c3cnc4c(cnn4C(C)C)c3)n2)cc1 12941587 MCLJFRHAGWZMIN-UHFFFAOYSA-N 409.540 5.110 0 40 HKAB C[C@@H](NC(=O)CN(C)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 13056024 XCVMRYOOGVXPAH-LLVKDONJSA-N 420.167 5.609 0 40 HKAB O=C(CSc1nc(-c2ccccc2Br)n[nH]1)c1ccc2ccccc2c1 13120864 XVFRQTUUWZNUDZ-UHFFFAOYSA-N 424.323 5.362 0 40 HKAB Cc1ccc(Sc2ccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)cc2)c(C)c1 13145577 KKSAIJDWAJJZOU-UHFFFAOYSA-N 418.345 6.719 0 40 HKAB COc1c(C(=O)Nc2nc3ccccc3s2)cc2ccccc2c1Br 17089465 OSNAZVJUEAQQEN-UHFFFAOYSA-N 413.296 5.473 0 40 HKAB O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccccc1F 17094148 ZDOXSBSIZICSGS-UHFFFAOYSA-N 424.888 5.149 0 40 HKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3cccc(OC)c3)c2)cc1 19691396 HYSCCAGOGYEDKL-DEOSSOPVSA-N 402.494 5.052 0 40 HKAB COc1cc([C@H](Nc2ccccn2)c2c(C)[nH]c3ccccc23)cc(OC)c1OC 19864050 FPSFTKFXPFFQPT-QHCPKHFHSA-N 403.482 5.099 0 40 HKAB COc1cccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1 20356932 NIWDKEUXHTYSEA-UHFFFAOYSA-N 400.482 5.113 0 40 HKAB c1ccc(C2(c3ccccc3)O[C@H](c3ccc4cccnc4c3)Nc3ccccc32)cc1 20436273 VMWLKKSBRKQVIP-MUUNZHRXSA-N 414.508 6.668 0 40 HKAB O=C(COc1ccccc1)Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1 21944952 TUSYQQBFRQPTNI-UHFFFAOYSA-N 403.869 5.210 0 40 HKAB CCOc1ccccc1-c1noc(CN2CCc3sccc3[C@@H]2c2cccs2)n1 22242267 DHZANPVVDRBSPZ-OAQYLSRUSA-N 423.563 5.406 0 40 HKAB Cn1c(-c2cccc(Br)c2)cn2cc(-c3ccc(Cl)c(Cl)c3)nc12 27117650 UOMUYLWAPGMAIU-UHFFFAOYSA-N 421.125 6.076 0 40 HKAB Cc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(Cl)c2)c1 27525420 XKWZAPPTEMNBTM-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB Cc1ccc(-c2nc(CCNC(=O)c3oc4ccc(Cl)cc4c3C)cs2)cc1 27990525 CDPNJZYQNUPRAU-UHFFFAOYSA-N 410.926 5.799 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1F 30864315 FXTLSYXWLOPSQY-OAHLLOKOSA-N 402.716 5.751 0 40 HKAB O=C(Oc1c(Cl)cc(Cl)cc1Cl)C1CCN(C(=O)c2ccsc2)CC1 32772244 WUFGZFURQUQPCB-UHFFFAOYSA-N 418.729 5.166 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(Cc2ccc(F)cc2)CC1 39773217 OQTMKQWHJHXTJG-UHFFFAOYSA-N 414.830 5.349 0 40 HKAB Cc1ccc(Nc2ccc(NC(=O)c3c(-c4ccccc4Cl)noc3C)cc2)nn1 44213463 WVZZXGPPVUELPH-UHFFFAOYSA-N 419.872 5.398 0 40 HKAB O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1cc(F)c(F)cc1Cl 58393939 MOGPSLMKRQNIFR-UHFFFAOYSA-N 422.218 5.171 0 40 HKAB C[C@@H]1CCCCN1c1cc(NC(=O)c2ccccc2Br)c(Cl)cc1N 72229207 RXGRZCDCZWXELL-GFCCVEGCSA-N 422.754 5.316 0 40 HKAB Cc1nc(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)co1 72350455 FFAWOLKHQRECJX-MRXNPFEDSA-N 415.415 5.084 0 40 HKAB COc1cccc(-c2nc(-c3ccccc3)c(NC(=O)c3ccc(F)cc3)s2)c1 72427588 UHZFEOPSAGDLJJ-UHFFFAOYSA-N 404.466 5.877 0 40 HKAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC=C(c2c[nH]c3ccccc23)CC1 89574038 INFSSCCIZVHUAZ-HXUWFJFHSA-N 421.544 5.951 0 40 HKAB Cc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NC2CCC2)c2ccccc23)s1 96052754 KYHJXBCHYPJQDQ-LJQANCHMSA-N 408.611 5.136 0 40 HKAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3nc(-c4ccc(C(C)C)cc4)c(C)s3)C(=O)[C@H]21 102637325 YNPHMVQAAKOGKZ-VURPSTOHSA-N 420.578 5.724 0 40 HKAB CCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 103718388 GWTWUBOLSIOYDO-AWEZNQCLSA-N 421.324 5.164 0 40 HKAB COc1ccc2cc(C(=O)N3CCS[C@H](c4ccccc4Cl)CC3)[nH]c2c1 206995451 JCSOFDIESFKSPS-FQEVSTJZSA-N 400.931 5.150 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c(C)c1 219843837 RWASQCNKUKBGJO-UHFFFAOYSA-N 423.896 5.656 0 40 HKAB CCOC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)c(C)c1 222724745 TVYKUOUHDMRAGB-UHFFFAOYSA-N 412.338 5.350 0 40 HKAB COc1ccc2cc(S(=O)(=O)N[C@@H](c3ccccc3)c3ccc(C)cc3)ccc2c1 223030401 XFIHHZPRHULXRU-VWLOTQADSA-N 417.530 5.225 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1cc(C)cc(C)c1 224530023 OUHZOHWXSCNGDZ-HXUWFJFHSA-N 403.522 5.772 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccc(C)c(C)c1 224626832 XBBWSUGAMIKFDW-UHFFFAOYSA-N 409.570 6.124 0 40 HKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225163730 JBDYYGNCVRNQOS-INIZCTEOSA-N 404.919 5.093 0 40 HKAB Cc1ccc([C@@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)c(C)c1 225476055 GKDVQSHYDOZIAB-LJQANCHMSA-N 406.620 6.643 0 40 HKAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1Cl 225518427 PZXJNDMWQZXMME-HNNXBMFYSA-N 405.897 5.343 0 40 HKAB CCCOc1ccccc1CCCNC(=S)Nc1cccc(Br)c1 225624559 JWHVZMOTADELGK-UHFFFAOYSA-N 407.377 5.157 0 40 HKAB CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccccc1F 408554907 GDVOFHFSKMKURN-UHFFFAOYSA-N 422.500 5.416 0 40 HKAB O=C(Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccccc1 408975599 NRZMXXIDIHWBIV-UHFFFAOYSA-N 402.453 6.183 0 40 HKAB COc1cccc(C(=O)N2CCCCCCN(CCC(C)C)Cc3ccccc32)c1 643563323 PLEPUYHCFJKVSS-UHFFFAOYSA-N 408.586 5.764 0 40 HKAB COc1ccc([C@@H](CC(=O)c2ccc(C)cc2)Sc2ccccc2NC(C)=O)cc1 723798 BOKAVPTWCPEZBD-RUZDIDTESA-N 419.546 6.068 0 40 HKAB O=C(c1cccs1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2)cs1 932794 KNQCMOIJRNFTEK-OAHLLOKOSA-N 404.944 5.351 0 40 HKAB Cc1nc(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc23)sc1C 1376442 CWSWMIMSQKYTIW-UHFFFAOYSA-N 412.584 5.482 0 40 HKAB Cc1cccc2cc(CN(Cc3ccco3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c12 1378187 DFLGTVZDFKZTCA-UHFFFAOYSA-N 421.884 5.317 0 40 HKAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 1808240 JEUOIGVAFZNTGD-UHFFFAOYSA-N 421.924 5.886 0 40 HKAB CCCCCCc1cc2cc(-c3csc(-c4ccccc4)n3)c(=O)oc2cc1O 2066694 VYSHEXGEQDXRJB-UHFFFAOYSA-N 405.519 6.412 0 40 HKAB biogenic Cc1cccc(NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)cc2)c1C 2107910 BNGDZJZBBPAKKT-UHFFFAOYSA-N 400.305 6.442 0 40 HKAB Cc1ccc(NC(=O)c2c(NC(=O)c3ccc(C)cc3)sc3c2CCCCC3)cc1 2185822 TTZDWIHBDPTNOO-UHFFFAOYSA-N 418.562 6.138 0 40 HKAB CCCSc1nc2sc3c(c2c2nnc(SCC)n12)C[C@@](C)(CC)OC3 2376382 SEJQDBHETVGDPY-GOSISDBHSA-N 408.618 5.195 0 40 HKAB COc1ccc2c(c1)c(C(=O)CSc1ncnc3c1oc1ccccc13)c(C)n2C 2405431 JPQBUGJBLCGRRB-UHFFFAOYSA-N 417.490 5.160 0 40 HKAB Cc1ccc(CNC(=O)c2ccccc2NC(=S)Nc2ccc(C)c(Cl)c2)cc1 2623532 UTFLGKOXPQEFOS-UHFFFAOYSA-N 423.969 5.696 0 40 HKAB CCc1cccc(CC)c1NC(=O)COC(=O)c1oc2c(ccc3ccccc32)c1C 2639735 KEFVTCGTLWFTAP-UHFFFAOYSA-N 415.489 5.815 0 40 HKAB Cc1nn(-c2ccccn2)c2nc(-c3ccc(Cl)cc3Cl)cc(C(F)(F)F)c12 2659445 UDCZVXGHYYTYBT-UHFFFAOYSA-N 423.225 6.117 0 40 HKAB Brc1cccc(-c2nnn3c2nc(N2CCCCCC2)c2ccccc23)c1 2713105 CQVBYPRXKBDGET-UHFFFAOYSA-N 422.330 5.087 0 40 HKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(N[C@H]4C[C@H](C)CC(C)(C)C4)ncnc32)c1 2714922 POPIZNUTAKRJLD-UNMCSNQZSA-N 424.592 7.023 0 40 HKAB Cc1ccc(Nc2nnc(SCc3csc(-c4ccccc4)n3)s2)cc1C 3282352 HPKRJAVPAIGGMC-UHFFFAOYSA-N 410.593 6.314 0 40 HKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3C)nc2c1 3770792 VOUFAONHIOXNGJ-UHFFFAOYSA-N 404.897 6.255 0 40 HKAB CC[C@@H]1CCc2nc3sc(C(=O)NCCc4ccc(Cl)cc4)c(N)c3cc2C1 4620078 BUXPVFARTVUYEH-CYBMUJFWSA-N 413.974 5.019 0 40 HKAB CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)c1 4703907 LGEYSFKQTDAOIU-UHFFFAOYSA-N 414.505 6.543 0 40 HKAB O[C@@H](c1ccc(F)cc1)c1nc2ccccc2n1Cc1ccccc1Br 4726053 LGWYTOXHXONJKG-FQEVSTJZSA-N 411.274 5.068 0 40 HKAB Cc1ccn2c(Nc3ccc(Cl)cc3)c(-c3ccc(N4CCOCC4)cc3)nc2c1 4733514 ARSHASYRJMVIPC-UHFFFAOYSA-N 418.928 5.543 0 40 HKAB CCCOc1ccc(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)cc1 4776380 JNGLISISZBJLHF-UHFFFAOYSA-N 405.310 5.615 0 40 HKAB CC(C)c1ccc(-c2noc([C@H]3CCCN(C(=O)Nc4ccccc4F)C3)n2)cc1 4890038 ZRZPGCGODCWELL-SFHVURJKSA-N 408.477 5.411 0 40 HKAB COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)cc1OC 5215226 SCUTXQRXFFYAIA-IEXUWNMDSA-N 415.961 5.226 0 40 HKAB CC(C)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 5977313 WYHWPJHNLZWVTL-DEOSSOPVSA-N 420.534 5.430 0 40 HKAB C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)\c1nc(-c2ccccc2)cs1 6252567 UGGPZJWTMOXJLZ-WUKNDPDISA-N 405.526 6.833 0 40 HKAB CCCCCCOc1ccc(C(=O)NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1 6397166 HQQUCVUGQSAVCS-UHFFFAOYSA-N 414.615 5.219 0 40 HKAB O=C(O)c1ccc2c(c1)nc(/C=C/c1ccc(Cl)cc1Cl)n2-c1ccccc1 6402965 RDKSHOSLZDJWEK-DHZHZOJOSA-N 409.272 6.201 0 40 HKAB CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 9500062 JCUHEKKNGAXWBN-NRFANRHFSA-N 420.534 5.376 0 40 HKAB O=C(/C=C/c1ccc(Br)o1)Nc1ccc(-c2cn3ccsc3n2)cc1 9511884 NOWZGAGUECRBTK-SOFGYWHQSA-N 414.284 5.070 0 40 HKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(Br)cc1F 11375279 BAADSCJTTYWSAE-UHFFFAOYSA-N 423.669 5.468 0 40 HKAB CCOc1ccccc1NC(=O)Nc1ccc(Nc2cc(OC(C)C)nc(C)n2)cc1 12226014 ROEFSMPJBWRNRQ-UHFFFAOYSA-N 421.501 5.359 0 40 HKAB COc1ccc([C@H]2CC(c3ccccc3)=C[C@@](O)(C(C)(C)C)[C@@H]2C(=O)C(C)(C)C)cc1 12381226 BLCORHYSCGUWJY-NYULUDCUSA-N 420.593 6.275 0 40 HKAB CCOc1ccc(Br)cc1C(=O)Oc1ccc(C)cc1Br 12404279 KRUSARUWRSOCMG-UHFFFAOYSA-N 414.093 5.138 0 40 HKAB CCOc1ccccc1/C=C/C(=O)Nc1ccccc1NC(=O)Nc1ccccc1 12856957 WTQOTBCBGVWYFW-WUKNDPDISA-N 401.466 5.381 0 40 HKAB COc1ccc(C(C)(C)C)cc1NC(=O)/C=C/c1ccc(OCC(C)C)c(OC)c1 13057945 KCFSTXKEYGLOBM-UKTHLTGXSA-N 411.542 5.688 0 40 HKAB CCC(CC)Nc1nc(CSc2ccccc2)nc2sc(C(=O)O)c(C)c12 14066167 UVGDAMPXDMFSLW-UHFFFAOYSA-N 401.557 5.591 0 40 HKAB Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 14405107 BEGKYWGDRHPHID-UHFFFAOYSA-N 424.504 5.302 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3ccco3)N3CCCCC3)sc2c1 15859878 XYKCEMHTXVHQKA-MRXNPFEDSA-N 402.947 5.413 0 40 HKAB O=C(C[C@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 16477284 QAIPVUZXIABLIJ-XMMPIXPASA-N 404.941 5.476 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1 17090378 YDULQPRCAOVXNW-UHFFFAOYSA-N 415.518 5.492 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Cl)c(C(=O)O)c1 18195705 RPNHLUHQRLZKQY-UHFFFAOYSA-N 409.200 5.046 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1 20108067 KRIGMOUQOFFNRJ-VWLOTQADSA-N 408.586 5.444 0 40 HKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN([C@@H](C)c2ccccc2)C4)cc1 20412572 VWERTOHTHJYPOQ-KRWDZBQOSA-N 413.473 5.382 0 40 HKAB biogenic CC(C)Oc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4cnccc4o3)c2)c1 20717481 UYEWGMXLGQPBQQ-UHFFFAOYSA-N 407.857 5.583 0 40 HKAB CCOc1cc(CNCCc2ccccc2)cc(Cl)c1OCc1ccccc1F 22074299 CDJQDOIMSCKVJO-UHFFFAOYSA-N 413.920 5.789 0 40 HKAB CSc1ccccc1NC(=O)COc1ccc2ccccc2c1Br 22706073 SZMLFEKAAFGJII-UHFFFAOYSA-N 402.313 5.342 0 40 HKAB CN(C)[C@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccccc1 25712381 MDOKFBOHQKGIFR-HSZRJFAPSA-N 411.505 5.041 0 40 HKAB O=C(N[C@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl)c1cccs1 26771298 MCZYGTMALVYGFC-GFCCVEGCSA-N 419.544 5.560 0 40 HKAB Cc1ccsc1C(=O)Nc1c(C)nn(COc2cccc(C(F)(F)F)c2)c1C 32610205 FIFIYVYPQZVVBK-UHFFFAOYSA-N 409.433 5.177 0 40 HKAB Cc1ccccc1NC(=O)Cc1nc(COc2cc(Cl)cc(Cl)c2)cs1 32667946 BCTPAVLNSFXUBW-UHFFFAOYSA-N 407.322 5.519 0 40 HKAB C[C@H](Oc1nc2ccccc2nc1/C=C\c1ccc(Cl)cc1Cl)c1ccccc1 36092283 JLZWOMHNRYVKDX-HECSCLNYSA-N 421.327 7.247 0 40 HKAB Cc1ccc2ncnc(Nc3ccc4[nH]nc(-c5ccc(Cl)c(Cl)c5)c4c3)c2c1 41195118 IGLQQHBPKWUBKE-UHFFFAOYSA-N 420.303 6.532 0 40 HKAB Cc1ccc2nc(C)c(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2c1 71459155 NNPGJMRLSZGTSJ-UHFFFAOYSA-N 401.310 5.241 0 40 HKAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 72214745 IZHJAWHIQVKKJY-FQEVSTJZSA-N 409.530 5.210 0 40 HKAB COc1ccc(CCC(=O)N2CCC[C@H]2c2cccc(Cc3ccccc3F)n2)cc1 72357893 PVIJLOGRLKFJLG-VWLOTQADSA-N 418.512 5.116 0 40 HKAB CCN(CC)c1ccc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc1 83333257 XFVOSKATXDUXTO-KAKMCVKYSA-N 400.522 5.902 0 40 HKAB Cc1ccccc1C(=O)N1N=C(c2ccco2)C[C@@H]1c1cccc(Br)c1 97165197 MIIDYYGAPAHTGP-LJQANCHMSA-N 409.283 5.342 0 40 HKAB C[C@@H]1ON=C(c2ccccc2Cl)[C@@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 100281566 ZQLQAXAFJNVCKH-YEJXKQKISA-N 404.853 5.617 0 40 HKAB COc1ccc(/N=c2/scc(-c3ccc(F)cc3)n2Cc2ccccc2OC)cc1 102962628 QXKUJZUJZKZIJP-SHHOIMCASA-N 420.509 5.654 0 40 HKAB CC1=C[C@H](C)[C@]2(COC(=O)Nc3ccccc3)CO[C@@H](CCc3ccccc3)[C@@H]1[C@H]2C 105364976 XELGSXZQIKSUPR-WKFYBSLTSA-N 419.565 6.101 0 40 HKAB C[C@H](CO)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 140006269 LFNAJBFFWWMSEW-OKDXITPVSA-N 416.646 5.540 0 40 HKAB Cc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)s1 195529867 JJZMJOSCJCSROZ-VWNJHIHFSA-N 404.605 5.012 0 40 HKAB CCOC(=O)c1ccc(NC(=O)CCCSc2ccc(Cl)cc2)cc1Cl 222694206 CDGJTTAGTIDLKE-UHFFFAOYSA-N 412.338 5.681 0 40 HKAB Cc1ccc(C)c(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 223979817 CLYTZQIQPPBRMV-OQKWZONESA-N 405.925 5.693 0 40 HKAB COc1ccc(C(=O)Nc2cccc(F)c2)cc1CSc1ccc(Cl)cc1 224347502 GXSODDYWOPMLRW-UHFFFAOYSA-N 401.890 6.032 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1cccc(C)c1 224383987 PXDYMJBFGVJEBO-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccc(C)cc1 224469972 SRTBCDCDRBAZPN-UHFFFAOYSA-N 418.493 5.183 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NCCc3ccccc3)o2)cc1 224916407 PRPVXQOGPIULEE-UHFFFAOYSA-N 412.489 5.380 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCc4ccccc4C3)o2)cc1 224922089 RZNKNCPVOOCRCF-UHFFFAOYSA-N 424.500 5.606 0 40 HKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)s2)cc1Cl 224947986 MBRQWGIYGNUHCC-OALUTQOASA-N 415.971 5.291 0 40 HKAB Cn1c(=O)sc2cc(NC(=O)/C(=C/c3ccccc3Cl)c3ccccc3)ccc21 225022120 PISDICZBDYLEHV-QGOAFFKASA-N 420.921 5.433 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCC(C)CC4)cc3)CCCC2)cc1 225512754 STUYZWUJQVWKMR-UHFFFAOYSA-N 420.597 5.556 0 40 HKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1cccc2ccccc12 225831451 SIIPAPGHFIHFLO-UHFFFAOYSA-N 419.484 6.128 0 40 HKAB CCOc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3ccc4c(c3)OCO4)C[C@@H]21 227486476 NVJUZPUYIFHPJK-SBUREZEXSA-N 420.490 5.118 0 40 HKAB CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)N=C4SC[C@H](CC)N43)o2)cc1 260753042 AZSODEDGHIIOEC-PDIWNELESA-N 419.550 5.720 0 40 HKAB O=C1CS[C@H](c2ccccc2OCc2ccccc2F)N1c1ccc(Cl)cc1 408557407 NFYDUTAIMCWXDA-JOCHJYFZSA-N 413.901 5.837 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccc(Br)cc1)N2 409000391 SVLXFYGPUFHENC-BVSLBCMMSA-N 420.306 5.618 0 40 HKAB CCOc1ccc(NCc2c(OCc3cccc(F)c3)ccc3ccccc23)cc1 409110255 AHNFUAVFRAOAEV-UHFFFAOYSA-N 401.481 6.569 0 40 HKAB Cc1cc(Br)c(NC(=O)CSc2nc3ccccc3s2)cc1C 409182410 LTLOEVMIKLAXLV-UHFFFAOYSA-N 407.358 5.406 0 40 HKAB O=C1N/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1Cc1ccccc1 409206024 LRLFAGVHFISJGT-PDGQHHTCSA-N 410.882 5.177 0 40 HKAB COc1ccccc1OCc1nnc(SCc2ccc(Cl)cc2Cl)n1C 409331540 NQHRUHJRQJWLQQ-UHFFFAOYSA-N 410.326 5.002 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4ccccc4Br)cc3)nc2c1 723730 OXVYCOGJYZHSDA-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccc(OC(C)C)c4)c3)nc2c1 849009 UBSLRDCUTZQNGF-UHFFFAOYSA-N 400.478 6.151 0 40 HKAB CC(=O)N(CC[C@H](c1ccccc1)c1ccc2c(c1)OCO2)Cc1ccc(Cl)cc1 1308362 VCXGIPXKFGZGLD-HSZRJFAPSA-N 421.924 5.639 0 40 HKAB Fc1ccc(-c2csc3ncnc(SCc4c(Cl)cccc4Cl)c23)cc1 1915566 HDZJGXPXMSGNNG-UHFFFAOYSA-N 421.349 7.097 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CC(c3ccccc3)c3ccccc3)ccc21 2069579 ILLUJMGZDKLXGN-UHFFFAOYSA-N 418.540 6.975 0 40 HKAB Cc1ccc(-c2nnc(SCc3ccccc3)n2-c2cccc3ccccc23)cc1 2074076 NRYSAVJPNHOXMO-UHFFFAOYSA-N 407.542 6.688 0 40 HKAB CCN(CC)c1ccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)cc2)cc1 2105181 MNNGOGPCJNDGGT-UHFFFAOYSA-N 414.549 5.853 0 40 HKAB COc1ccc(N(Cc2ccccc2)C(=O)c2cc(=O)c3cc(C)cc(C)c3o2)cc1 2222503 OXKBQIOVRDAKBH-UHFFFAOYSA-N 413.473 5.265 0 40 HKAB CCCCOc1ccc(S(=O)(=O)N(CCC)Cc2cc3ccccc3o2)cc1 2368930 DSGJAMIFFSCNOP-UHFFFAOYSA-N 401.528 5.213 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(OC(C)C)cc2)cc1 3655328 USQSWXHVVMYQTG-UHFFFAOYSA-N 413.473 6.012 0 40 HKAB CCc1ccc(-c2nc(-c3ccc(Br)cc3)sc2CC(=O)O)cc1 4672134 FWOPCLMPTUDSQV-UHFFFAOYSA-N 402.313 5.429 0 40 HKAB Cc1cc(C)c(C)c(COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)c1C 5548304 DCBHXAQDNHDBGZ-UHFFFAOYSA-N 418.920 6.926 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)cc4)ccc3o2)cc1C 5684424 XYTVBXCMANAPJB-WUXMJOGZSA-N 402.881 6.417 0 40 HKAB Cc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 5752561 VNLMWOATVVXDGM-UHFFFAOYSA-N 407.897 5.677 0 40 HKAB O=C(Nc1ccc2c(c1)-c1ccccc1C2)Nc1ncccc1OCc1ccccc1 6080100 HRBJYUXYXNAEAP-UHFFFAOYSA-N 407.473 5.876 0 40 HKAB O=C(OCc1ccc(Cl)cc1Cl)c1c2c(nc3ccccc13)CCCCC2 6229875 GNEGYNKDSKJDBO-UHFFFAOYSA-N 400.305 6.168 0 40 HKAB Cc1ccc(-c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)s1 6536695 LKOILXVAWSYGOX-UHFFFAOYSA-N 403.916 5.054 0 40 HKAB C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(Oc2ccccc2)cc1 6561033 ZBXLNCAOZYWTRZ-ZFGQVMFLSA-N 419.521 5.566 0 40 HKAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(OCc4ccccc4)cc3)n2)cc1 7752967 JPDSOODOEVZOHH-UHFFFAOYSA-N 413.477 5.195 0 40 HKAB Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=S)NCC(C)C)C1 8636079 YXBLQOMCOQDCAO-NHCUHLMSSA-N 410.631 5.145 0 40 HKAB biogenic,in-vitro O=C(Nc1cccc(/C=C/c2nc3ccccc3n2C(F)F)c1)c1ccccc1Cl 8708530 KYAHDAASTZDGJY-OUKQBFOZSA-N 423.850 6.508 0 40 HKAB CC(C)CCSc1nnc2nc3c(c(O)n12)C1(CCCCC1)Cc1ccccc1-3 8766534 DWXIHQRNDHFPGB-UHFFFAOYSA-N 408.571 5.393 0 40 HKAB O=C(CSc1nncn1-c1ccccc1)N1c2ccccc2Sc2ccccc21 8826272 OLETZFXYAXIDAU-UHFFFAOYSA-N 416.531 5.189 0 40 HKAB O=C1S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1c1ccccc1 9260836 IKQWCOTXURLOJC-SFQUDFHCSA-N 413.907 6.325 0 40 HKAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCc2sccc2[C@@H]1c1cccs1 9513208 DYWIOGNGXCCZDH-GOSISDBHSA-N 417.939 5.022 0 40 HKAB CC(C)n1c(NC(=O)c2ccco2)c(-c2ccccc2Cl)c(=O)c2ccccc21 11691997 SPIKJECJPWHJCY-UHFFFAOYSA-N 406.869 5.748 0 40 HKAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(Cl)cc3)c3ccccc3C2=O)c(C)c1 12651961 NFIPTFRDBUJLEX-STZFKDTASA-N 402.881 5.597 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)CCSc1nnnn1C1CCCCC1 12813182 ZSSLWXIRDBAWAB-UHFFFAOYSA-N 415.607 5.546 0 40 HKAB CSc1ccc([C@@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccc(C)cc2)cc1 15413420 HYILEDZVEXRNKL-XMMPIXPASA-N 416.546 5.146 0 40 HKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)ccc2OC)N3)C1 15945375 RRZIGBJACPPHGS-DYZYQPBXSA-N 421.360 5.463 0 40 HKAB CN(Cc1cccc(Cl)c1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 18009117 NXTQYJWQRVXHMK-UHFFFAOYSA-N 420.940 5.004 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 20105872 IMSCZIYSUMTLPJ-XMMPIXPASA-N 416.521 5.262 0 40 HKAB Cc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc(C(=O)O)c1O 20140151 FLQQOPZFRXDUEG-UHFFFAOYSA-N 406.221 5.218 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc(NC(=O)c2ccco2)c1 21141740 OUKHGSIQASABDU-UHFFFAOYSA-N 422.444 5.328 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccc(Cl)cc1 22515396 JUXQTDQUCFVGBV-JOCHJYFZSA-N 413.970 5.700 0 40 HKAB O=C(CCc1nc(-c2ccccc2)no1)Nc1ccccc1Oc1ccccc1Cl 24401318 YTHGIHIBBAULMO-UHFFFAOYSA-N 419.868 5.754 0 40 HKAB Cc1cccc(NC(=O)c2nc(SCc3ccc(Cl)cc3)ncc2Cl)c1 27664169 BUMCIDGIEGASAK-UHFFFAOYSA-N 404.322 5.636 0 40 HKAB COc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2cccc(C)c2)cc1 28288744 NOGRAFJMUXMYIA-AREMUKBSSA-N 414.505 5.112 0 40 HKAB Cc1ccc(Oc2ccccc2NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1 31297357 PVKMWKBTJBGYQE-QHCPKHFHSA-N 416.477 5.157 0 40 HKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccccc1Cl 32581076 VXSOTOKWGLBWQS-UHFFFAOYSA-N 404.901 5.758 0 40 HKAB CN(Cc1ccsc1)C(=O)/C(=C/c1ccc(Br)cc1)c1cccs1 32907929 XSIMFSMORAXCQL-GZTJUZNOSA-N 418.381 5.771 0 40 HKAB Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)c1 38501175 NYBWLPCTAWGJNN-UHFFFAOYSA-N 401.441 5.151 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1 39747649 BXCZZYDITYZTHS-UHFFFAOYSA-N 420.940 5.983 0 40 HKAB Cc1ccc(C(=O)CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)cc1 59041428 HEGLLYQCVICMFG-UHFFFAOYSA-N 418.543 5.832 0 40 HKAB COC(=O)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3ccccc3c2)cc1 59483220 CDIYBEQWXGNLFU-DEOSSOPVSA-N 408.457 5.398 0 40 HKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1C 64983082 IUOGXLOAPYSBDI-QGZVFWFLSA-N 407.897 5.594 0 40 HKAB CCc1ccccc1NC(=O)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 67245149 JXIAYVSQEUBEFH-UHFFFAOYSA-N 406.938 6.674 0 40 HKAB CCOc1ccc(OCC)c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c1 71761638 NQQKWSYBUYKCBL-UHFFFAOYSA-N 400.422 5.192 0 40 HKAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72214706 AJWSJIFRLWVWJC-SFHVURJKSA-N 419.566 5.695 0 40 HKAB CC(C)=CCC/C(C)=C\CC/C(C)=C/CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1 77952770 OTXNTMVVOOBZCV-XBKCXTRYSA-N 410.642 8.292 0 40 HKAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CC=C(c2c[nH]c3ccccc23)CC1 89574037 INFSSCCIZVHUAZ-FQEVSTJZSA-N 421.544 5.951 0 40 HKAB Cc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1Br 90411542 WQMFKJANHGULTK-UHFFFAOYSA-N 417.350 6.103 0 40 HKAB CN(C)c1cc(C(F)(F)F)cc(-c2cccc(C(=O)Oc3ccc(Cl)cc3)c2)n1 91695134 KONODZCTOCGVLL-UHFFFAOYSA-N 420.818 5.706 0 40 HKAB Cc1ccc2c(-c3cc4c(CNC5CCCCC5)cnc(C)c4o3)cc(=O)oc2c1 95476633 QINIDVJFCBEOIZ-UHFFFAOYSA-N 402.494 5.640 0 40 HKAB Clc1cccc(Cl)c1[C@H]1C=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn21 101254044 WJANOBVMXDROPG-OAQYLSRUSA-N 419.315 6.308 0 40 HKAB O=C1/C(=C/Nc2ccc(Cl)cc2Cl)c2ccccc2C(=O)N1c1nccs1 102322270 DNDQHQGZJLMMLQ-GXDHUFHOSA-N 416.289 5.090 0 40 HKAB CCOc1ccc(N2C(=O)/C(=C\Nc3ccc(C)cc3C)c3ccccc3C2=O)cc1 104185421 DOHJZRLIVUKMTM-KQWNVCNZSA-N 412.489 5.342 0 40 HKAB O[C@H]([C@H](Sc1ccccc1)c1ccc(Sc2ccccc2)cc1)N1CCOCC1 223813202 KMKCVRICODKOIS-DNQXCXABSA-N 423.603 5.322 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)c1 224296359 WFAYGDXMQGSPDN-DNQXCXABSA-N 416.594 5.792 0 40 HKAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccccc1C 224377680 CXSPIMBGKDDASJ-UHFFFAOYSA-N 401.506 5.171 0 40 HKAB CCCOCc1cc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1OC 224418855 NNCWDTZGSCXOSW-UHFFFAOYSA-N 407.535 6.025 0 40 HKAB O=C(NCCSCc1ccc(Cl)cc1Cl)C1(c2ccccc2)CCCC1 224462556 JAXRKCRQXJVIBT-UHFFFAOYSA-N 408.394 5.855 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCC(C)CC4)cc3)CCCC2)c1 225509703 MQBYCYWDEQWLFV-UHFFFAOYSA-N 420.597 5.556 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225703353 QYVDIFAKPIWDKW-BKSPAHHJSA-N 418.622 5.357 0 40 HKAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccccc3Sc3ccccc3)c2c1 225757618 CTRXOEQWGJYWAM-UHFFFAOYSA-N 414.530 5.408 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)C[C@H](O)CC[C@]34C)[C@H]1C[C@H](CN1CCCCC1)C2=O 245241163 YHCZRFRDIZKNKD-UTYCNODKSA-N 401.635 5.061 0 40 HKAB FC(F)(F)c1cccc(Cc2ccc([C@@H]3CCCN(CCc4ccccc4)C3)nc2)c1 257291903 QJEPVYFFMZDZER-HSZRJFAPSA-N 424.510 6.113 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCCCCC2)cc1 408675002 FTFNZRPROBWHLF-UHFFFAOYSA-N 404.510 5.027 0 40 HKAB COc1ccc2nc(C)c(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2c1 408713492 BTCYRYXQOTWCRU-UHFFFAOYSA-N 418.880 6.250 0 40 HKAB Cc1ccc(OC(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1 408980828 YDUDLVXRGIFLBX-UHFFFAOYSA-N 418.456 5.281 0 40 HKAB CC(C)N1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)C1=O 409056873 OZPBSYHUXAEXAU-ZDLGFXPLSA-N 405.878 5.503 0 40 HKAB CCc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 409113959 OYLDDCJJWZVRJT-UHFFFAOYSA-N 420.767 7.400 0 40 HKAB CC(C)CN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)c2ccccc21 409114718 IFFHAHSRPKEOSY-MOSHPQCFSA-N 411.423 6.509 0 40 HKAB CC(C)C(=O)N1CCCCCCCNCc2cc(-c3cccc(C(=O)O)c3)ccc21 643576583 TZNMBDCGKITAGD-UHFFFAOYSA-N 408.542 5.095 0 40 HKAB Fc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccncc2)cc1 663984 XMHDYWPSRADEBM-UHFFFAOYSA-N 412.493 5.914 0 40 HKAB COc1cc2cc(C)c(SCC(=O)Nc3cccc4ccccc34)nc2cc1OC 928246 CBEBZKRMGIHNQA-UHFFFAOYSA-N 418.518 5.444 0 40 HKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCc3cccc(F)c3)cc12 1243245 PPHDIUJLDBJGQG-UHFFFAOYSA-N 420.436 6.003 0 40 HKAB biogenic Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)c(C)c1 1264191 KKXPTTKMDYIMJU-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB Nc1c(C(=O)Nc2ccccc2)sc2nc3c(c(-c4cccs4)c12)CCCCC3 1309958 RFGVKTOCGIAKOM-UHFFFAOYSA-N 419.575 6.128 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1646533 GIPHFLWHNAYKHC-UHFFFAOYSA-N 419.906 7.218 0 40 HKAB CCN(CC)CCOC(=O)c1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)cc1 1664911 DHPFYIOBTJODBX-UHFFFAOYSA-N 424.328 5.136 0 40 HKAB O=C(Oc1ccc2cc(Br)ccc2c1Br)c1ccccc1 2023240 JREDTTLGZGNCSO-UHFFFAOYSA-N 406.073 5.584 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc54)o3)cc2)c1 2050781 JDYOFQHINIRVKG-UHFFFAOYSA-N 422.484 6.689 0 40 HKAB COc1ccc(-c2coc3cc(OCc4ccccc4C)ccc3c2=O)cc1OC 2107363 XQQCMODAEUSHNT-UHFFFAOYSA-N 402.446 5.365 0 40 HKAB biogenic CCC[C@@H]1Cc2c(sc3nc(SCc4ccc(Cl)cc4)nc(N)c23)CO1 2215493 OJKALGXZXFJERP-CYBMUJFWSA-N 405.976 5.461 0 40 HKAB Clc1ccc(-c2nc(Nc3cccc4ccccc34)c3ccccc3n2)cc1Cl 2269730 MZXXDFRUACKAFK-UHFFFAOYSA-N 416.311 7.500 0 40 HKAB CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(Cl)c2)o1 2336047 AZHOGBUXWBKNRH-HNNXBMFYSA-N 411.955 5.627 0 40 HKAB CCCCCCOC(=O)c1c(N)n(Cc2cccs2)c2nc3ccccc3nc12 2375304 OPANHZJEKLFISI-UHFFFAOYSA-N 408.527 5.014 0 40 HKAB CCCCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 2399149 YDUWZHNIOIFVMH-UHFFFAOYSA-N 415.628 6.182 0 40 HKAB CCn1c(NC(=O)c2ccccc2F)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 2435136 GDXVOCQHYYXMDK-UHFFFAOYSA-N 420.871 5.733 0 40 HKAB Cc1cccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)c1C 3012986 GCRGIYCKHZDQSK-RDJZCZTQSA-N 404.392 5.006 0 40 HKAB O=C(Nc1nc2c(Cl)cccc2s1)c1cc(-c2ccccc2)nc2ccccc12 3175533 PMXLIJFCASIKAX-UHFFFAOYSA-N 415.905 6.417 0 40 HKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)N1CCCCC1 3308144 GBVCEPAFFBNJKS-FOCLMDBBSA-N 407.517 5.718 0 40 HKAB Cc1ccc(-c2csc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1C 3422504 FQPACNGPPPFHQV-SOFGYWHQSA-N 403.334 6.386 0 40 HKAB O=C(Nc1ccc(CSc2ccc(F)cc2)cc1)c1ccc(Cl)c(Cl)c1 4090611 SVAQIAKUXZVOAW-UHFFFAOYSA-N 406.309 6.677 0 40 HKAB CC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(C2CC(C)(C)NC(C)(C)C2)C1 4263741 KLSCSEZMCFQPFO-UHFFFAOYSA-N 420.553 5.558 0 40 HKAB CCC(CC)C(=O)Nc1c(C(=O)Nc2ccc(OC)cc2OC)oc2ccccc12 4268048 APZYZCJEOGNUKF-UHFFFAOYSA-N 410.470 5.077 0 40 HKAB Cc1c(Cl)ccc2c(C(=O)N[C@H](C)c3ccccc3)cc(-c3ccccc3)nc12 4553956 DBQBZEAFVMZBQP-QGZVFWFLSA-N 400.909 6.355 0 40 HKAB Cc1ccccc1-c1nc2cc(NC(=O)COc3ccc(C(C)(C)C)cc3)ccc2o1 4673494 FUHGRMGUYQXCEY-UHFFFAOYSA-N 414.505 6.118 0 40 HKAB O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 4677343 WVTKERJKDMYADC-GCASFGIVSA-N 406.869 5.963 0 40 HKAB Cc1ccc(N[C@H]2C[C@@H](C)N(C(=O)c3ccc(Cl)cc3)c3ccc(C)cc32)cc1 4797999 IOWNGZFGTXBYQO-JPYJTQIMSA-N 404.941 6.549 0 40 HKAB Fc1ccc(C2=NN(c3ccc(Br)cc3)[C@H](c3ccccc3F)C2)cc1 5018240 GHSHLVFTRVEXFP-NRFANRHFSA-N 413.265 6.083 0 40 HKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3C[C@H]3CC3(Cl)Cl)CC2=O)c1 5235787 SDVBGEUARHAVSP-JKSUJKDBSA-N 414.336 5.059 0 40 HKAB CCOC(=O)c1nc(Nc2ccc(C)c(Cl)c2)c2c3c(sc2n1)CCCC3 5462340 QSRJRXKUHFPJTA-UHFFFAOYSA-N 401.919 5.452 0 40 HKAB O=C(Nc1ccccc1)[C@H]1C(O)=Nc2ccccc2[C@@H]1c1ccc(Cl)c(Cl)c1 5604006 INBXREFOENACJH-PMACEKPBSA-N 411.288 5.982 0 40 HKAB CCCCc1ccc(NC(=O)c2cc(-c3ccc(CC)cc3)nc3ccccc23)cc1 6043156 MUGAVQXWARNFCA-UHFFFAOYSA-N 408.545 7.059 0 40 HKAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)N1CCc2ccccc21 6170936 AINFVEIMGRQWFT-UHFFFAOYSA-N 403.532 5.040 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)cc1 6230633 IVQYKSMZVNSSPD-UHFFFAOYSA-N 408.841 5.174 0 40 HKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1 6267043 ISHFCFUYQKAKDS-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB O=C(Cc1ccccc1)NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1 6281233 RTMRUKCPPOYBMW-UHFFFAOYSA-N 403.532 5.019 0 40 HKAB CCCCOc1ccc(C2=NNC(c3cccs3)=Nc3ccc(CC)cc32)cc1 6480977 NGPFBKHKHDPOEB-UHFFFAOYSA-N 403.551 5.923 0 40 HKAB CCc1ccc(NC(=O)c2cc(Br)cc(Br)c2OC)cc1 6709280 RLGVBQKLIKATIB-UHFFFAOYSA-N 413.109 5.035 0 40 HKAB Cc1ccc(-c2nnn3c2nc(NCCc2ccc(Cl)cc2)c2ccccc23)cc1 6738881 ZSVYAEFWRHETBD-UHFFFAOYSA-N 413.912 5.561 0 40 HKAB COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)S[C@H]2c2ccc(C)cc2)cc1 8917145 POOBMHPTQIRAMJ-NLZIUFDSSA-N 421.949 6.477 0 40 HKAB O=C(CSc1nc2cccc3cccc([nH]1)c32)NCc1ccc(Cl)cc1Cl 9984403 NWPQLKIZQQPZHL-UHFFFAOYSA-N 416.333 5.431 0 40 HKAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1Sc1ccccc1 10186012 AXVAIXWFAAUSIB-QGZVFWFLSA-N 417.534 5.014 0 40 HKAB COc1cccc2cc(/C=C/C(=O)O[C@H](C)C(=O)Nc3ccccc3C(C)C)oc12 11580973 USQLNWRJURHBRM-CJTWTEFWSA-N 407.466 5.148 0 40 HKAB Cc1oc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)NCC12CC3CC(CC(C3)C1)C2 12372385 SIAWDLYVXOHSSE-UHFFFAOYSA-N 407.598 6.002 0 40 HKAB Cc1cc(NC(=O)c2cc3ccccc3o2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442054 SVHFSTKQZRIWMZ-UHFFFAOYSA-N 418.453 5.442 0 40 HKAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N[C@H]1CCOc2ccccc21 12778368 WRMVHNOJXJVMJE-KRWDZBQOSA-N 418.440 5.011 0 40 HKAB C[C@@H](NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(F)c(F)c1 12783206 RQWHGWZNAKGRTL-QGZVFWFLSA-N 417.459 5.368 0 40 HKAB Cn1cc(-c2csc(-c3ccc(Cl)cc3)n2)cc1C(=O)C(Cl)(Cl)Cl 12955829 POOQHXPJFMXNGY-UHFFFAOYSA-N 420.148 6.022 0 40 HKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)cc1 13063101 GBUXDOBAVDJTRN-IBGZPJMESA-N 415.924 5.567 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1Sc1ccccc1 13717031 OOJCADNNVUTGQL-UHFFFAOYSA-N 409.554 6.999 0 40 HKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cc3ccc(Cl)cc3)n2)cc1 13960523 WCYCKIKZFDQDSA-UHFFFAOYSA-N 404.897 5.936 0 40 HKAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1cccc(OCc2cscn2)c1 14240422 RXNKUJZSYXGICH-UHFFFAOYSA-N 417.515 5.737 0 40 HKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 14665374 VDOMEGQBPPZNFT-LJQANCHMSA-N 422.569 5.406 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1cccc(C)c1C 16362156 MBZMMZMCCZLABB-UHFFFAOYSA-N 418.518 5.606 0 40 HKAB O=C(Nc1cccc(NC(=O)c2cccc3c(Cl)cccc23)c1)c1cccs1 17087567 ALIZACNZNXDNPP-UHFFFAOYSA-N 406.894 6.059 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)[C@@H](F)C[C@]34C)[C@@H]1CC[C@@H]2OC(=O)c1ccccc1 17302434 HNAAFHHBQZHFPH-UZKCNQHNSA-N 412.545 5.772 0 40 HKAB C[C@@H](OC(=O)c1cc2sc3ccccc3c2s1)C(=O)Nc1c(F)cccc1F 18656129 DYXBPSSOCSWKDR-SNVBAGLBSA-N 417.458 5.578 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccc2c(Cl)cccc12 20139008 CWZXDLQPPOWFNI-UHFFFAOYSA-N 412.272 6.151 0 40 HKAB COc1ccc([C@@](O)(c2ccc(C)cc2)[C@H](CN2CCCCC2)c2ccccc2)cc1 27241119 FKJYZKASQVGULX-IZLXSDGUSA-N 415.577 5.509 0 40 HKAB O=C(Nc1nnc(C2CC2)s1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 28225907 SKGAKGKDICXNKZ-UHFFFAOYSA-N 412.927 5.598 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2C 33271860 RRTCCBZSBKGEQT-UHFFFAOYSA-N 420.534 5.176 0 40 HKAB O=C(CN1C=C(c2ccccc2)N2CCC[C@H]12)Nc1ccc(Oc2ccccc2)cc1 49885664 KUVDBRQSFQNFCT-AREMUKBSSA-N 411.505 5.154 0 40 HKAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 57351120 JITYTZXEJIZOKY-FYWRMAATSA-N 420.472 5.641 0 40 HKAB C[C@H]1CC2=C(N=C3SCC(=O)N3[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 67172433 XELTXHVYKDGUON-NJGTYAIQSA-N 422.500 5.719 0 40 HKAB COc1cccc(Cn2c(SCc3ccc(Cl)cc3)nc3ccccc3c2=O)c1 67258786 VWWPXCOXSAXTTK-UHFFFAOYSA-N 422.937 5.399 0 40 HKAB Clc1ccc2oc(-c3ccc(NCc4ccc(Br)cc4)cc3)nc2c1 70461604 MBLFEVBXWQZLDU-UHFFFAOYSA-N 413.702 6.523 0 40 HKAB Cc1cc(S(=O)(=O)N(c2ccc3[nH]ccc3c2)[C@@H](C)CC(C)C)cnc1Cl 84101599 LGVOAKALAFYRDX-HNNXBMFYSA-N 405.951 5.155 0 40 HKAB COCCn1c(C(=O)Nc2ccc(C)c(Cl)c2)cc2c1c1ccccc1n2C(C)C 96037321 BLXCZSWGOGWSQT-UHFFFAOYSA-N 423.944 6.037 0 40 HKAB CO[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 118912919 RCXPTZJNVLDKKV-BTGNDISDSA-N 400.691 8.043 0 40 HKAB Cc1ccc(NC(=O)/C(=C/c2cccnc2Cl)C(=O)Nc2ccccc2)cc1C 215740218 RMCTYEOAYSFEQI-XSFVSMFZSA-N 405.885 5.013 0 40 HKAB CC[C@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(C)cc1C 218878147 KOYMSMGTFBHOCG-FQEVSTJZSA-N 418.375 5.836 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2ccc(Cl)cc2)c1 224163331 OHVQRNHFGKNLHS-UHFFFAOYSA-N 423.940 6.305 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccc(Cl)c(C)c1 224204412 INCMGGWOCATKDY-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)NCC(C)C)cc1 224586476 LTPHDNDTYKMMKB-VWLOTQADSA-N 422.613 5.070 0 40 HKAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1Cl 225549695 KDWUEUWZJBMDFN-INIZCTEOSA-N 419.924 5.733 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCCC2)ccc1OCC 225761058 SOOQXEGXTPSUBW-UHFFFAOYSA-N 413.489 5.242 0 40 HKAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Cl 408594351 OQNQKWHFRLOFDV-UHFFFAOYSA-N 414.232 5.212 0 40 HKAB COc1c(C)cc(Br)cc1C(=O)Nc1nc2c(C)cc(C)cc2s1 408619248 APVXZIRBGHVMMK-UHFFFAOYSA-N 405.317 5.245 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(Cl)cc2)c(C)c1 408694312 IUAWPHZFLFHVLZ-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Fc1cccc(COc2ccc(Nc3ccnc4cc(-c5ccccc5)nn34)cc2)c1 585263523 HIMRXHOGTHANLM-UHFFFAOYSA-N 410.452 5.858 0 40 HKAB CCOc1ccccc1-c1ccc(C(=O)O)c(COc2cccc(Cl)c2Cl)n1 585265365 KRKSWWZDKRUSGJ-UHFFFAOYSA-N 418.276 5.731 0 40 HKAB CCOc1ccccc1-c1ccc2c(c1)CNCCCCCCCN2C(=O)C(C)C 2037931575 RQMVUKMGDVDGNY-UHFFFAOYSA-N 408.586 5.795 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 820433 KJKKHMKDQURPSD-UHFFFAOYSA-N 424.891 5.969 0 40 HKAB Cc1cc(C)c(N2C(=O)[C@@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)c(C)c1 866617 AWMLJLFPSPKXQA-WUIRLBBUSA-N 407.513 5.183 0 40 HKAB Cc1sc(NC(=O)c2cccnc2)c(C(=O)c2ccc(Br)cc2)c1C 976172 KVKWBTNIVQNUOR-UHFFFAOYSA-N 415.312 5.006 0 40 HKAB CCc1nc(SCC(=O)Nc2nc(C(C)(C)C)cs2)c2c(C)c(C)sc2n1 1372167 QOYVGBIYCWCVIT-UHFFFAOYSA-N 420.629 5.355 0 40 HKAB CC[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(=O)OC)C1 2093082 WNZVQIZAAVSFPE-INIZCTEOSA-N 419.546 5.969 0 40 HKAB CC(C)Oc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)cc1 2250915 VSXXEXHBRUBBTP-UHFFFAOYSA-N 423.438 6.846 0 40 HKAB Cc1ccc(Cl)cc1-n1c(-c2cccc(Cl)c2)nc2nc3ccccc3nc21 2251947 CMGSYXPTEDERPM-UHFFFAOYSA-N 405.288 6.251 0 40 HKAB Cc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 2714634 MUAQVYIZVCMFHN-UHFFFAOYSA-N 410.908 6.793 0 40 HKAB FC(F)(F)c1cnc2c(-c3ccc(Cl)cc3)nn(-c3cccc(Cl)n3)c2c1 3134906 VSASHCKVRRNXKL-UHFFFAOYSA-N 409.198 5.808 0 40 HKAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc3c(s2)CCCC3)cc1 3241446 PKFRHLKWFPNDBP-UHFFFAOYSA-N 406.507 5.140 0 40 HKAB CCOc1ccc(CNCC[C@]2(CCC(C)C)CCO[C@@H](C(C)C)C2)cc1OC 4073720 KNNBNGASMJWSSX-JWQCQUIFSA-N 405.623 5.831 0 40 HKAB biogenic O=C(c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1 4350451 JFHJQHWMNMLTJI-NRFANRHFSA-N 405.295 5.441 0 40 HKAB CCc1ccccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 4364758 AXLJFPDAZQOYMK-OHXCWLKESA-N 422.572 6.798 0 40 HKAB CCN(CC)C(=O)/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccccc1 4579326 MERRSCWWANJLOY-LTGZKZEYSA-N 422.912 5.239 0 40 HKAB CCN(CC)CCn1c2ccccc2n2cc(-c3cccc(Br)c3)nc12 4598762 DDFHCNRDBFBRFV-UHFFFAOYSA-N 411.347 5.060 0 40 HKAB COc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C(C)(C)C)cc4)c3c2c1 4969932 AHAVIDYKYMSHDU-UHFFFAOYSA-N 407.517 6.547 0 40 HKAB CC#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@@]21C 5158116 NSUUUQRFPXZFLI-FMBHSAPWSA-N 414.589 5.724 0 40 HKAB C[C@@H]1CCCCN1Cc1ccccc1COC(=O)c1cccc(Br)c1 5187379 TUKLUQBCQLQCTC-MRXNPFEDSA-N 402.332 5.181 0 40 HKAB COC(=O)c1ccc(Oc2nc(-c3ccc(OC(C)C)cc3)nc3ccccc23)cc1 5557224 IZAGBILDGOEJLQ-UHFFFAOYSA-N 414.461 5.663 0 40 HKAB CCOC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1NCCc1ccccc1 5958588 VRZPZLQPJVOOLZ-UHFFFAOYSA-N 412.489 5.858 0 40 HKAB CC(C)(C)NC(=O)COC(=O)c1oc2ccccc2c1CSC1CCCCC1 6083129 IPYMNTUAUDXIOB-UHFFFAOYSA-N 403.544 5.070 0 40 HKAB CC1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)cc2)CC1 6569659 FKEJGVLJHRDKTF-ACCUITESSA-N 420.940 6.488 0 40 HKAB Cc1cc(OCC(=O)N(Cc2ccco2)Cc2ccccc2Cl)cc(C)c1Cl 6810629 KHTUCLZYIMWIQS-UHFFFAOYSA-N 418.320 5.811 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2ccccc2)cc1 6966135 QGDGWXMGESHRHX-HHHXNRCGSA-N 404.513 6.361 0 40 HKAB O=C(CSc1nc2ccccc2[nH]1)Nc1nc(-c2ccc(Cl)cc2)cs1 7344183 WBPACCMHLBPOAE-UHFFFAOYSA-N 400.916 5.071 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(N2CCOCC2)cc1 7504666 SAMJDPQVXGYSLS-UHFFFAOYSA-N 418.562 5.376 0 40 HKAB Cc1nc2c(ccc3nc(Nc4nc5cc6c(cc5s4)OCCO6)sc32)s1 9381978 SYZQLGTUKSCJGM-UHFFFAOYSA-N 412.521 5.339 0 40 HKAB CCc1ccc2oc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)c(C)c2c1 11914513 LSDNYRMWIDFSEQ-UHFFFAOYSA-N 412.514 6.833 0 40 HKAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1cc2ccccc2c(=O)s1 12274428 PUXFGKFXZNAYTF-UHFFFAOYSA-N 412.923 5.215 0 40 HKAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(N3CCCCCC3)cc2)cs1 12516259 ODHBBPBILMITSX-UHFFFAOYSA-N 421.566 5.663 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CCCc1cccs1)CC2 12733408 KPYKNRCKUAENTD-VWLOTQADSA-N 421.562 5.262 0 40 HKAB Cc1c(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)[nH]c2c1C(=O)CC(C)(C)C2 12761586 JAEDKYNMOAVPHI-OAQYLSRUSA-N 424.591 5.389 0 40 HKAB C/C=C/C=C/C(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 12783796 JFUCNDFDYNLFMK-HPZPYXEMSA-N 405.929 5.343 0 40 HKAB C[C@@H]1C/C(=C\c2c(F)c(F)c(F)c(F)c2F)c2nc3ccccc3c(C(=O)O)c2C1 13527602 ZUUUWBUKJWBVGX-NCXKZPMSSA-N 419.349 5.751 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Br)cc1F 16194555 TVIMXGDJKUWGEE-GORDUTHDSA-N 419.077 5.556 0 40 HKAB CCCSc1ncc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 16806516 DAKGQGGBEKFVJL-UHFFFAOYSA-N 410.248 5.557 0 40 HKAB Cc1ccc(-c2nn(-c3cc(Cl)ccc3Cl)c(-c3ccc(C)cc3)c2C)cc1 17087634 WJOQFCUPGVJADK-UHFFFAOYSA-N 407.344 7.438 0 40 HKAB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)C(C)(C)C)ccc3Cl)nc2c1 17090455 WKEUNMQOGWXGNQ-UHFFFAOYSA-N 415.946 5.570 0 40 HKAB CCn1c(SCc2nnc(-c3cccc(C)c3)o2)nnc1-c1ccccc1Cl 19928302 KWRBLGMREURVNA-UHFFFAOYSA-N 411.918 5.269 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccccc1Cl 20106586 OEYAXRPGTHFMMC-JOCHJYFZSA-N 413.970 5.700 0 40 HKAB O=C(O)Cc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 20151117 ABCZNMWBUVMBAR-SOFGYWHQSA-N 416.260 5.532 0 40 HKAB Cc1sc2c(c1C)CN(CCc1c[nH]c3ccccc13)CN2C(=O)c1ccco1 20192549 BKQDGCNMSPYSQJ-UHFFFAOYSA-N 405.523 5.102 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 20489986 FZCDYUSSAYQAQI-LJQANCHMSA-N 400.522 5.139 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)N1CCN(Cc2ccccc2)CC1 23477221 LJJCHBVTWGAIJH-HHHXNRCGSA-N 423.560 5.218 0 40 HKAB CCCOc1cccc(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)c1 27742145 OVJSGPIOERBMJQ-UHFFFAOYSA-N 401.260 5.145 0 40 HKAB Cc1noc(C)c1CC(=O)N(Cc1ccc(-c2ccccc2Cl)s1)C1CC1 27753381 LIJOZEBTVWTZPU-UHFFFAOYSA-N 400.931 5.407 0 40 HKAB CCCCc1ccc([C@@H](NC(=O)CCc2nnc(-c3ccsc3)o2)C(C)C)cc1 30934413 VFKWQUWPYJMMGX-QFIPXVFZSA-N 411.571 5.587 0 40 HKAB Cc1ccc(C(=O)Nc2ccccc2SCc2cc(=O)c3cccc(C)c3[nH]2)cc1 33063890 WZVNMDYNBWLTMN-UHFFFAOYSA-N 414.530 5.690 0 40 HKAB CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 33768350 WUFSCBZSNYZAEI-UHFFFAOYSA-N 422.500 5.416 0 40 HKAB Cc1ncc(NC(=O)CSCc2ccccc2)n1-c1nc(-c2ccccc2)cs1 35682920 IWUUNXSJPTZJPF-UHFFFAOYSA-N 420.563 5.176 0 40 HKAB O=C(NCc1ccc(Cl)cc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38848608 MQMPCLFIPPPPTB-UHFFFAOYSA-N 411.760 5.175 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2C)nc1 67296603 OTFFMHCMUPOVDE-RWEWTDSWSA-N 403.869 5.583 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2F)c(C)c1 67297239 YBEFMBYVHCYJDR-COOPMVRXSA-N 420.871 6.327 0 40 HKAB O=C(CCc1ccccc1)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 72358655 FZKOQMXYZRCYBR-FQEVSTJZSA-N 405.929 5.136 0 40 HKAB O=C(c1ccc(F)cc1)N(C[C@H]1CCCO1)c1nc2c(C(F)(F)F)cccc2s1 77099407 LMPNKEWDGHFWIK-CQSZACIVSA-N 424.419 5.280 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1nnc(/C(Cl)=C\c2cccc(Cl)c2)s1 98001829 SFHKHFYXXJONOK-NTEUORMPSA-N 410.713 5.834 0 40 HKAB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(C)cc4)C3=C(O)C2)cc1 100426253 JDYBZCXXQZNQCG-DCFHFQCYSA-N 410.517 6.633 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](Oc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 118927545 LUZSRGCUNDRXTQ-DUJSLOSMSA-N 408.582 6.329 0 40 HKAB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)CC)CC[C@]4(C)[C@H]3CC[C@]12C 118935530 FWAYUWSHYLKUEY-URHVYIOLSA-N 404.591 5.673 0 40 HKAB O=C(COc1ccc2ccccc2c1Br)Nc1ccc(C(F)(F)F)cc1 218903123 OHPCTXGPIJBYMI-UHFFFAOYSA-N 424.216 5.639 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1ccc(Cl)cc1 223010166 DWDWOSRCTRSYTH-IBGZPJMESA-N 412.382 5.509 0 40 HKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C1CCCC1 223341718 CBBDGHZQBOHDBC-GOTSBHOMSA-N 420.582 5.381 0 40 HKAB C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCC3)cn2)C1 223974061 YXYKBZUHMAJZQN-PMACEKPBSA-N 422.642 5.362 0 40 HKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccc(Cl)cc1 224154830 CMCKARJYGKOCMZ-UHFFFAOYSA-N 416.304 5.511 0 40 HKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1C 224178432 YSVUTIKYTOOFDR-JWQCQUIFSA-N 424.573 5.666 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1cc(C)cc(C)c1C 224282681 XFFAVGOFGVZXKR-UHFFFAOYSA-N 421.562 6.174 0 40 HKAB Cc1ccccc1CSCC(=O)Nc1nnc(SCc2ccccc2)s1 224334080 HCVGMRUPGYBYJE-UHFFFAOYSA-N 401.582 5.011 0 40 HKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 224365129 RLBQBXFQZMGXRP-KRWDZBQOSA-N 421.924 6.417 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1cc(C)cc(C)c1 224532213 IMZWYLUIXHKSKV-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccccc1OC 224575401 WTZVOWOLYFCWMN-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 224987478 QZEWIQNWZHXTQO-UHFFFAOYSA-N 414.933 5.152 0 40 HKAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225450535 GRTPECMGKKVPFF-FCHUYYIVSA-N 422.613 5.117 0 40 HKAB C[C@@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 225503667 RXSAEZNAQPUWOU-OAQYLSRUSA-N 406.570 5.390 0 40 HKAB CC[C@@H](C)Oc1c(C)cc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C 225555262 VWGBDEUYQCTWTA-LJQANCHMSA-N 413.989 6.975 0 40 HKAB CC[C@H](CNC(=S)Nc1ccc(CSc2ccccc2)cc1)Cc1ccccc1 225631228 BKSYJMVIQFLQSB-FQEVSTJZSA-N 420.647 6.534 0 40 HKAB CCO[C@]1(C(=O)Nc2ccc(OCCC(C)(C)OC)c(Cl)c2)CCC[C@@H](C)C1 225718950 XIILMYQAISAILG-OPAMFIHVSA-N 411.970 5.458 0 40 HKAB CCOC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)c(Cl)c3)nc2c1 226344867 WATNRSVTYADXNU-UHFFFAOYSA-N 414.086 5.476 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)c1 408621978 ODFZEWDLDGUMHJ-UHFFFAOYSA-N 402.494 5.299 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2cccc(C)c2)cc1 408698217 MHDPVMCUMFOYPU-UHFFFAOYSA-N 416.456 5.033 0 40 HKAB Cc1ccc(COc2ccc(/C=C3\SC(=O)N(C)C3=O)cc2Br)cc1 408808273 DTTGGTZYNJPPGK-YVLHZVERSA-N 418.312 5.003 0 40 HKAB COc1cc(CNc2ccccc2C)ccc1OCc1ccc(Br)cc1 409122562 ZPRIQYCJALKNOD-UHFFFAOYSA-N 412.327 5.957 0 40 HKAB CC(C)c1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CC(C)(C)C4)cc1 645595 UIHVSWXJDTVCSH-UHFFFAOYSA-N 411.523 5.512 0 40 HKAB CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c1ccc(F)cc1)c1ccccc12 708680 MLFIYIPBIJQPBQ-UHFFFAOYSA-N 405.425 5.175 0 40 HKAB FC(F)(F)c1nc(Oc2ccc(I)cc2)c2ccccc2n1 1398393 RSBKWPDXCLUNDK-UHFFFAOYSA-N 416.140 5.046 0 40 HKAB Brc1ccc(-c2cs/c(=N/Cc3ccccc3)n2-c2ccccc2)cc1 1760961 UNYZTOJVGPVUKY-ZNTNEXAZSA-N 421.363 6.069 0 40 HKAB CCCCCOc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)c(C(F)(F)F)oc2c1 1769090 HCGGWYQLQPRGJG-UHFFFAOYSA-N 420.427 6.790 0 40 HKAB CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCc1ccccc1-3 1815206 GMWPHEZAHIIJSE-UHFFFAOYSA-N 420.559 5.333 0 40 HKAB CC(C)(C)c1ccc(OCc2nnc(NC(=O)c3cccc4ccccc34)s2)cc1 2120055 NZISTAJAKWRFPQ-UHFFFAOYSA-N 417.534 5.820 0 40 HKAB CCCCOc1ccccc1/C=C/[C@@]12NC(=O)CCN1c1ccc(C)cc1C2(C)C 2160695 GDONGIREUSQSKL-QBQQZWISSA-N 404.554 5.201 0 40 HKAB biogenic Cc1ccccc1NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCC3 2195262 OLZYEHVCXHPXJB-UHFFFAOYSA-N 405.548 5.656 0 40 HKAB CC(C)(C)c1cc(N2CCC(Cc3ccccc3)CC2)n2ncc(-c3ccccc3)c2n1 2347459 JAPPYXMKODXJBO-UHFFFAOYSA-N 424.592 6.153 0 40 HKAB Nn1c(SCc2c(F)cccc2Cl)nnc1-c1ccc(Cl)cc1Cl 2378847 DZGIGBCHHNZWQG-UHFFFAOYSA-N 403.697 5.051 0 40 HKAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)Nc1ccc(Cl)cn1 2626128 SAWOAHKAJHZUPU-UHFFFAOYSA-N 412.927 5.138 0 40 HKAB CC(C)CC(=O)Nc1ccc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)cc1 2643835 ZJRLJCHXLGCFOQ-UHFFFAOYSA-N 409.511 5.310 0 40 HKAB COc1ccc(CC(=O)N(c2cccc(OC)c2)c2nc3ccccc3s2)cc1 2648943 HUNFLVJZLQDACP-UHFFFAOYSA-N 404.491 5.221 0 40 HKAB FC(F)(F)c1cccc(SCc2ccc(-c3nc4ccccc4s3)cc2)c1 3051006 CDTNJFLUTRKLKC-UHFFFAOYSA-N 401.478 7.274 0 40 HKAB Cc1cc2nc(-c3cccnc3Cl)n(Cc3c(Cl)cccc3Cl)c2cc1C 3133418 MEOIUFIRABKTOL-UHFFFAOYSA-N 416.739 6.724 0 40 HKAB O=C(Nc1nnc(C2CC2)s1)c1ccc(CSc2ccc(Cl)cc2)cc1 3373310 YDYRNWPIKLFMLS-UHFFFAOYSA-N 401.944 5.614 0 40 HKAB O=C(Nc1ccc(C[S@@](=O)c2ccccc2)cc1)c1ccc(C(F)(F)F)cc1 4090622 RDSWAIQEMQDASH-NDEPHWFRSA-N 403.425 5.266 0 40 HKAB CC(C)Cn1c(SCC(=O)Nc2ncc(Cl)cc2Cl)nc2ccccc21 4254729 ZZZMLCXIPFPNFY-UHFFFAOYSA-N 409.342 5.125 0 40 HKAB CCCCCCc1cc2cc(-c3nnc(-c4cccc(F)c4)o3)c(=O)oc2cc1O 4422518 GPJHCFGCFHESSG-UHFFFAOYSA-N 408.429 5.478 0 40 HKAB COc1ccc([C@H]2OC[C@]3(COC(=O)Nc4ccccc4)[C@@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 4603024 OGCHLIHOPGTPPY-UTGBEIBVSA-N 421.537 5.850 0 40 HKAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccccc2)n2c(nc3ccccc32)N1 4632159 GEBKRQQOUWUABC-DEOSSOPVSA-N 408.505 5.581 0 40 HKAB COc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C(C)(C)C)CC4)cc1 4660851 WAKCKXSLXXKZHW-HNNXBMFYSA-N 413.539 5.393 0 40 HKAB O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@H](c2ccccc2Cl)N1c1ccccc1 4933919 AQOPCDLFAIPWGT-QFIPXVFZSA-N 403.844 5.619 0 40 HKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)cc1 5035362 SXFNZZLSEQRKLZ-UHFFFAOYSA-N 400.434 5.254 0 40 HKAB O=C1CS[C@@H](c2ccc(Br)cc2)N1c1cccc(C(F)(F)F)c1 5190687 GJZWFGPOKQOABJ-HNNXBMFYSA-N 402.235 5.247 0 40 HKAB O[C@]1(c2ccccc2)c2ccccc2[C@](O)(c2ccccc2)c2cc3c(cc21)CCCC3 5340409 BVJFISVYJCGVAZ-LOYHVIPDSA-N 418.536 5.447 0 40 HKAB CC(C)CCCCCCCOC(=O)CCCC(=O)OCCCCCCCC(C)C 5440824 NKTBVFBHWIMHRL-UHFFFAOYSA-N 412.655 7.236 0 40 HKAB Cc1ccc(C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)cc1 5745405 PBVHQQMSZXLLDR-HSKFNCJTSA-N 406.529 6.432 0 40 HKAB COc1ccc(-c2nnc(SCc3ccc(C(C)(C)C)cc3)n2CC(C)C)cc1 6049648 WTWAJSIBRORUDE-UHFFFAOYSA-N 409.599 6.200 0 40 HKAB COc1ccc(C(=O)N2CCCCc3ccccc32)cc1C12CC3CC(CC(C3)C1)C2 6668295 UVBJTIOINBNIBL-UHFFFAOYSA-N 415.577 6.146 0 40 HKAB COc1ccc(-c2nnc(SCC(=O)c3c[nH]c4ccccc34)n2CC(C)C)cc1 6789274 IDWXHLYZVDBPMS-UHFFFAOYSA-N 420.538 5.066 0 40 HKAB O=C(NCc1cccnc1)c1oc2ccccc2c1CSc1ccc(Cl)cc1 7986778 ZCEVTXPLPONMRU-UHFFFAOYSA-N 408.910 5.704 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(Cl)c4)cc3)nc2c1 8196694 DVKRTTMSDPSBRW-OAHLLOKOSA-N 404.897 6.914 0 40 HKAB COc1ccccc1-c1nnc(SCC(=O)c2ccc(C)cc2)n1C1CCCCC1 8297898 YHTTZRHRTGQQOI-UHFFFAOYSA-N 421.566 5.742 0 40 HKAB CC(C)c1ccc(CN(C(=O)c2ccc(NC(=O)c3ccco3)cc2)C2CC2)cc1 8357576 KEQYDKHECSMXCI-UHFFFAOYSA-N 402.494 5.460 0 40 HKAB CNCCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 8376919 RKKFPJKTEDRCAT-UHFFFAOYSA-N 403.353 5.425 0 40 HKAB COc1cccc(-c2nc([C@H]3Nc4ccccc4C(=O)N3Cc3ccco3)cs2)c1 9157389 KUUPNVVLMGTEBY-NRFANRHFSA-N 417.490 5.178 0 40 HKAB CC(C)(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 9308992 DTRCBJWIOLGXGX-UHFFFAOYSA-N 420.365 5.948 0 40 HKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3ccccc3c2)cc1 9345016 NXZQERUIWOADKO-UHFFFAOYSA-N 420.468 6.399 0 40 HKAB Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1 9607348 LUWSKJONMBUUNB-FQEVSTJZSA-N 403.869 5.218 0 40 HKAB Cc1ccc(Cl)c(NC(=O)COC(=O)COc2ccc3ccccc3c2)c1Cl 9632947 XBKZBQSXSFHLDA-UHFFFAOYSA-N 418.276 5.016 0 40 HKAB COc1ccc(Cl)cc1CS[C@@H](C)C(=O)Nc1ccccc1C(F)(F)F 9938817 HOHPPSBCYZUZIH-NSHDSACASA-N 403.853 5.628 0 40 HKAB COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccccc3)c2c1 9971008 LAJCEWOCMOEVIK-UHFFFAOYSA-N 424.909 5.473 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1ccc2c(c1)CCC2 10026789 OJEAQMBZMKPEMC-UHFFFAOYSA-N 415.518 5.050 0 40 HKAB O=C(O)c1cc(-c2ccc(-c3ccccc3Br)o2)nc2ccc(F)cc12 12042422 HYVDRUFASPEMOU-UHFFFAOYSA-N 412.214 5.762 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 12274566 MTEDSEGMNWFMEE-HXUWFJFHSA-N 412.272 5.700 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cc1 12863097 AEFCFYPQISAHES-UHFFFAOYSA-N 403.463 5.281 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4cccc(Cl)c4)nccn3n2)cc1 17051640 UCXRWITZHBUTCH-UHFFFAOYSA-N 408.914 5.089 0 40 HKAB Cc1ccc(NC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)N1C[C@@H](C)C[C@@H](C)C1 18038186 HJHLKHVJUPOYPS-USTZCAOPSA-N 400.567 5.015 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](c1ccccc1)c1ccccc1C 20485065 JVAPYGNZANPTFB-XNMGPUDCSA-N 409.529 6.211 0 40 HKAB COc1ccc(-c2nn3c(Nc4ccc(Cl)cc4)cc(C)nc3c2C)cc1OC 23118849 ZJHXHZPQOKFEER-UHFFFAOYSA-N 408.889 5.427 0 40 HKAB O=S(=O)(Nc1cccc(Oc2cnccn2)c1)c1ccc(C2CCCCC2)cc1 24576229 GPOJYSGSPAKKJT-UHFFFAOYSA-N 409.511 5.117 0 40 HKAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(C(C)C)cc1 26124273 PDJMIKHSPAQCQQ-UHFFFAOYSA-N 404.901 5.758 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1cccc(C(F)(F)F)c1 27521259 QPDLQFCPSHBYJM-UHFFFAOYSA-N 424.447 6.748 0 40 HKAB C[C@H](OC(=O)c1csc(-c2ccsc2)n1)C(=O)Nc1ccc(C(C)(C)C)cc1 32776548 ACRSSVFMZMMJTA-ZDUSSCGKSA-N 414.552 5.353 0 40 HKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc2ccccc2c1 40162148 LNBGHPZEVHDEBW-UHFFFAOYSA-N 419.912 5.525 0 40 HKAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 44945693 NDGCIMMMXQOZLM-XMMPIXPASA-N 407.485 5.187 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1 57487314 AOPBAXKZAJTLHM-MRXNPFEDSA-N 420.900 5.044 0 40 HKAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 57991206 CTSCXFKHYZLWEU-UHFFFAOYSA-N 417.896 5.017 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(Br)cc2Cl)cc(C)c1Cl 64985184 MPIJGWFPDLGKJZ-UHFFFAOYSA-N 403.103 5.390 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccccc1Cl 67294534 KCUGQMRWGHFYFO-ROMGYVFFSA-N 409.272 6.224 0 40 HKAB Cc1ccccc1NC(=O)Cc1nc(CN2CCCC[C@@H]2Cc2ccccc2)cs1 72309147 DMGXXBZWCVIINN-JOCHJYFZSA-N 419.594 5.230 0 40 HKAB Cc1nc(C(C)C)sc1[C@H](C)N(C)CC(=O)Nc1c(Cl)cccc1Cl 89558947 NMCMLTYXZDZNPJ-LBPRGKRZSA-N 400.375 5.513 0 40 HKAB Cc1c(-c2nnc3sc([C@H](C)c4ccc(CC(C)C)cc4)nn23)oc2ccccc12 96194285 VYWWGJVQOMUEMB-OAHLLOKOSA-N 416.550 6.258 0 40 HKAB C[C@@]12CC3CC(NC(=O)c4ccc(-c5ccc(Cl)cc5Cl)o4)(C1)C[C@@](C)(C3)C2 101213047 QAZXPZMVYBKJCE-CVRONBDISA-N 418.364 6.732 0 40 HKAB O=c1nc2n(c3ccccc13)Cc1ccccc1/C2=C\c1ccc(Br)cc1 103780054 YOBIROAOYCJPIU-DEDYPNTBSA-N 415.290 5.110 0 40 HKAB COc1ccc(-c2ncc(C(=O)Nc3ccccc3Oc3ccccc3)c(C)n2)cc1 223146125 YDBAPDIJIHQFDK-UHFFFAOYSA-N 411.461 5.505 0 40 HKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 223394333 XDJHIOMKOJRSMH-DQEYMECFSA-N 424.573 5.353 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)CCCOc2ccc(Cl)cc2)c2ccccc2O1 224075259 KJEVQGBQBGWWRC-HXUWFJFHSA-N 401.934 5.698 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1c1ccccc1 224153442 KBNXKKNVSJTPEM-IRXDYDNUSA-N 416.369 5.083 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccc(Cl)cc1 224164209 TYXBQNUGPYUMFQ-SFHVURJKSA-N 423.940 5.679 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)c1 224229564 CDXNWJRWYNFDDP-JWQCQUIFSA-N 424.573 5.666 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccc2ccccc2c1 224312216 VBHDJXCUGCXGIQ-UHFFFAOYSA-N 401.437 5.819 0 40 HKAB COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1Cl 224926983 IEMKBOOMDUHWHB-UHFFFAOYSA-N 422.843 6.062 0 40 HKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 225007687 XECSZVKJJVNYNV-SFTDATJTSA-N 416.565 5.104 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 225035877 SMJQJOMWBXWPEX-HNNXBMFYSA-N 408.885 5.092 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCc3ccc(F)cc3)c2)cc1 225444881 OJLROUWTFZTHQS-UHFFFAOYSA-N 420.553 5.841 0 40 HKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(Br)c(C)c2)C(C)C)c(C)c1 225764370 JDLPDAWHXBSVDG-IBGZPJMESA-N 405.405 6.058 0 40 HKAB COc1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c2cccnc12 225811179 ITOJZTYBICPOSS-UHFFFAOYSA-N 409.530 5.181 0 40 HKAB CC[C@@H]1O[C@@H]2c3cc(C(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(Cl)cc1 257210384 BUKLJXJWLKARSJ-BOFXEDATSA-N 400.902 5.849 0 40 HKAB NC(=O)c1ccc(-c2ccc([C@H]3CCCCN3Cc3ccc4ncccc4c3)cn2)cc1 257338541 YXWWZEZXPPRGCL-AREMUKBSSA-N 422.532 5.123 0 40 HKAB CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CCC2=C3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 257348056 AWYDNKRGSOPYQB-LEZIRCCXSA-N 400.691 7.779 0 40 HKAB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccccc1 408563152 UGNUFGIXZQJFAI-VZCXRCSSSA-N 401.329 5.049 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccccc2)o1 408571765 FNKRYQJFTFYFJR-FYPAKXHLSA-N 404.535 5.987 0 40 HKAB CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O 408598817 BIQMJBRBJCUNNW-YBFXNURJSA-N 401.915 5.611 0 40 HKAB CCc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccncc2)cc1 409099493 NTJRGNXXLSXTHR-UHFFFAOYSA-N 406.942 5.837 0 40 HKAB Cc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 409112746 CNZQFCDFXZWWFR-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB Cc1cc(C)c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)C3CC3)c(Cl)nc2c1 1367738 ZVZSDSREAWCPOS-UHFFFAOYSA-N 422.912 5.173 0 40 HKAB O=C(C[C@@H](Sc1cccc2cccnc12)c1ccc2c(c1)OCO2)c1cccs1 1463359 JGSPSCPKQXJLSC-JOCHJYFZSA-N 419.527 6.131 0 40 HKAB CCOC(=O)[C@@H](Sc1ccc(C)cc1)[C@H](Sc1ccc(C)cc1)C(=O)OCC 1641096 QVALTQGQDJPNDF-PMACEKPBSA-N 418.580 5.051 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CC[C@H](C(C)(C)C)C2 1921938 RVXMMWMYZHIGOY-AWEZNQCLSA-N 403.519 5.467 0 40 HKAB Clc1ccc([C@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)O2)cc1 2276587 LOCVCTDQWQYLRP-PMACEKPBSA-N 400.703 6.333 0 40 HKAB CCOc1ccc(N[C@H](CC(=O)c2ccccc2)c2ccc(Br)cc2)cc1 2321845 TWIIEUNZRGYGSY-JOCHJYFZSA-N 424.338 6.274 0 40 HKAB Cc1nc2cc(NC(=O)c3ccccc3Br)ccc2n1-c1ccccc1 2699338 CGNZNUZQPYVILH-UHFFFAOYSA-N 406.283 5.349 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2c(s1)COc1ccccc1-2 3226314 QLCAQBVPWUNOAF-UHFFFAOYSA-N 412.514 5.863 0 40 HKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3241821 TYAGGRGPNJEGCZ-UHFFFAOYSA-N 414.336 7.184 0 40 HKAB Cc1cc(Br)ccc1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 3340604 QWSOIHDAXBSGIV-UHFFFAOYSA-N 424.294 5.006 0 40 HKAB CCOC(=O)c1c(C2CC2)csc1NC(=O)COc1cc(C(C)C)ccc1C 3361435 OYHCFTKXZDPFTP-UHFFFAOYSA-N 401.528 5.252 0 40 HKAB O=S(=O)(CCCOc1cccc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 3470152 LXTMBOWWQFGNCY-UHFFFAOYSA-N 413.244 5.255 0 40 HKAB COc1cc([C@@H]2Nc3ccc4ccccc4c3-c3c2c(=O)oc2ccccc32)ccc1O 3770976 XZUDNDGODLAMDJ-SANMLTNESA-N 421.452 5.842 0 40 HKAB CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1 4838554 LIADKDAGOANNMG-UHFFFAOYSA-N 402.519 6.395 0 40 HKAB COc1ccccc1Cn1c(C(=O)OC(C)C)cc2c1ccn2-c1ccc(F)cc1 4932171 FSALWFBSAFCCAP-UHFFFAOYSA-N 406.457 5.193 0 40 HKAB O=C(/C=C\c1ccccc1)N(C(=O)/C=C\c1ccccc1)C(=O)/C=C/c1ccccc1 4984055 GGOUTAXSTICLOM-QPIWRHKKSA-N 407.469 5.008 0 40 HKAB O=c1oc2ccccc2c2c1C(c1cccs1)c1c(c3ccccc3oc1=O)O2 5258710 SEYFJAOQTBOAFN-UHFFFAOYSA-N 400.411 5.247 0 40 HKAB CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cc(C)ccc2C)o1 5478533 XRSBVIRWXMUNJB-INIZCTEOSA-N 423.604 5.298 0 40 HKAB CC(=O)c1ccc(C(=O)N(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)s1 7242592 QQVDDLXFMBZHQW-UHFFFAOYSA-N 415.518 5.076 0 40 HKAB Cc1nc(-c2ccc(CNC(=O)c3ccc(COc4ccccc4)o3)s2)cs1 7821343 ROBPNTNMMRWYCQ-UHFFFAOYSA-N 410.520 5.282 0 40 HKAB CC(C)[C@@H](NC(=O)CCCc1nc2ccccc2s1)c1ccc2c(c1)OCCCO2 7985602 NGFOWYJWQZDZCL-XMMPIXPASA-N 424.566 5.294 0 40 HKAB Cn1ccnc1[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 8118037 RMRNALXZRJCANN-QFIPXVFZSA-N 417.896 5.385 0 40 HKAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21 8959291 SHWYVMLCUBGVGT-UHFFFAOYSA-N 416.468 5.015 0 40 HKAB CC1CCN([C@H](CNC(=O)N(C)[C@H](C)c2ccc(F)cc2)c2cccs2)CC1 9501752 HJBZOFXDMRKDTR-YLJYHZDGSA-N 403.567 5.063 0 40 HKAB CC(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cs1 12219602 QQSVMOLBJUAFSD-UHFFFAOYSA-N 411.914 5.015 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)C[C@H](c1ccc(Cl)cc1)OC2=O 12274618 GORTXXGCRNJISE-HXUWFJFHSA-N 412.272 5.700 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1NC1CCCCC1 12419497 CCEMVHOSJRGLQS-UHFFFAOYSA-N 406.891 5.165 0 40 HKAB CN(C)C1(CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)CCCCC1 12568436 UJIUCNHCOJZHJL-UHFFFAOYSA-N 403.526 5.003 0 40 HKAB Cc1sc(-c2ccco2)nc1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 12859956 ZOZZPXQRMXSKCG-UHFFFAOYSA-N 410.495 5.025 0 40 HKAB Cc1nc2ccccc2c(C)c1CC(=O)OCc1csc(-c2ccccc2Cl)n1 13109647 NVUIDAMKDXGXFT-UHFFFAOYSA-N 422.937 5.914 0 40 HKAB O=C(/C=C\c1ccccc1)NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1 13286031 KKMXKWXCMDVETL-YPKPFQOOSA-N 415.543 5.490 0 40 HKAB COc1ccccc1-c1coc2c3c(ccc2c1=O)OCN([C@H](C)c1ccccc1)C3 13723476 HCBICQBWCAJYDL-QGZVFWFLSA-N 413.473 5.382 0 40 HKAB biogenic Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1cccs1)O2 13778443 KXCBZJUWWVWHBU-IIBYNOLFSA-N 410.882 5.373 0 40 HKAB Clc1ccc(-c2n[nH]cc2CN(CCc2ccccc2)Cc2ccncc2)cc1 13990205 QRCYYBUXPMXGKQ-UHFFFAOYSA-N 402.929 5.370 0 40 HKAB CC1CCN([C@H](c2cc(Cl)c3ccccc3n2)c2nnnn2C2CCCCC2)CC1 13999021 ZGWGQUWYYQIPNV-JOCHJYFZSA-N 424.980 5.201 0 40 HKAB O=C(/C=C/c1ccc(OC(F)F)cc1)Oc1ccc(NC(=O)c2ccccc2)cc1 15513599 NMNGSZHRPVEEIJ-OVCLIPMQSA-N 409.388 5.159 0 40 HKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 15833197 ZAKQQMOXWCYPPZ-QGZVFWFLSA-N 422.594 5.767 0 40 HKAB Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1 16261752 DBHZWDOCKIXROU-QFIPXVFZSA-N 401.897 5.260 0 40 HKAB C[C@H]1C[C@@H](C)CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C1 16712745 ALZDHBBYPLYFCI-HDICACEKSA-N 400.501 5.709 0 40 HKAB O=C(NC(=S)Nc1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1Cl 17092950 MSRJOLXJYIGYSV-UHFFFAOYSA-N 422.381 5.106 0 40 HKAB CC(C)(C)CC(=O)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19082574 CABWACURGCCTBY-IBGZPJMESA-N 415.541 5.034 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 20411268 ITKUASZGJRPHCJ-GIDUJCDVSA-N 412.489 6.279 0 40 HKAB Cc1ccccc1-c1nnc(Sc2ncnc3scc(-c4ccc(F)cc4)c23)o1 20667736 JGLGDDXITLGUMP-UHFFFAOYSA-N 420.494 6.007 0 40 HKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 21595269 CNUUWCCFJLAAIQ-UHFFFAOYSA-N 422.322 5.816 0 40 HKAB COc1ccc(-c2csc(N(C(C)=O)c3ccc(Br)cc3)n2)cc1 27027851 UDRKCSQDCMBMSD-UHFFFAOYSA-N 403.301 5.266 0 40 HKAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(C(F)(F)F)cc1 29247381 DYHXIDMMDNACKL-CYBMUJFWSA-N 422.834 5.824 0 40 HKAB Cc1nc(CSCCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cs1 29981513 ZXSLYPGAUQLSGO-INIZCTEOSA-N 403.598 5.048 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c(C)c1 32125115 NBKHLBOMCSXJKS-UHFFFAOYSA-N 419.481 5.378 0 40 HKAB CC(=O)N[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1Cl 32922347 RCWHZPFMDBDMEC-QFIPXVFZSA-N 408.885 5.338 0 40 HKAB COCCN(Cc1cc2cc(C)ccc2nc1Cl)C(=O)Nc1cccc(F)c1 35311767 HEXPCFFAKOHESF-UHFFFAOYSA-N 401.869 5.016 0 40 HKAB COc1cccc(-c2nc(SCC(=O)Nc3ccccc3)c3cc(F)ccc3n2)c1 35312778 QMWFMQCKJGYCCB-UHFFFAOYSA-N 419.481 5.175 0 40 HKAB CCN(C(=O)Cc1ccc(NC(=O)c2sc(C(C)C)nc2C)cc1)c1ccccc1 40150714 IFDDNFUZXHWPQA-UHFFFAOYSA-N 421.566 5.423 0 40 HKAB COc1ccc(-c2nc3ccc(NC(=O)c4ccc(Br)cc4)cc3o2)cc1 41086039 BBEVBTQGXVDCAW-UHFFFAOYSA-N 423.266 5.518 0 40 HKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(CSc2ccccc2)cc1 44839988 PHAAZYJJJCJJAD-HSZRJFAPSA-N 405.563 6.392 0 40 HKAB Cc1ccc(-c2cc(C(=O)N(Cc3ccccn3)C(C)C)c3c(C)noc3n2)s1 48276760 MKDVEWFYQIJHOY-UHFFFAOYSA-N 406.511 5.014 0 40 HKAB Cc1ccc([C@@H](c2nnnn2C(C)(C)C)N(Cc2ccco2)Cc2cccs2)cc1 57614132 GWPBJZLTYMUVMV-NRFANRHFSA-N 421.570 5.183 0 40 HKAB COc1ccccc1Cn1c(SCc2ccc(C)cc2)nc2ccccc2c1=O 67258419 SIXMNWAPACJKGQ-UHFFFAOYSA-N 402.519 5.054 0 40 HKAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ncc(Cc4ccccc4)s3)oc12 67339944 KVENBMPVQWGMFL-BQYQJAHWSA-N 424.909 5.794 0 40 HKAB C[C@H](C(=O)N1CCC[C@H](c2[nH]c3ccccc3c2-c2ccncc2)C1)c1ccccc1 72396376 GIHZZZBIKKNKLD-UGKGYDQZSA-N 409.533 5.740 0 40 HKAB C[C@@H](NC(=O)c1oc2ccccc2c1CSCc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 102253308 SKXIGRMKCVMNHR-IWLVTHKOSA-N 419.590 6.421 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 118933479 NWQBDOPDVUJEGJ-JNWQOPMLSA-N 404.679 6.439 0 40 HKAB CC[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(C)cc1C 218992156 QXPTWVXWFNMOOR-DEOSSOPVSA-N 407.941 6.417 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)CC(C)(C)O2 222695458 PGHYSZFMOVFIFI-IBGZPJMESA-N 419.974 5.640 0 40 HKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1C1CCCC1 223093102 NQYKJPQLVNJPSZ-BJKOFHAPSA-N 422.642 5.920 0 40 HKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)(C)C)c2)cc1 224171086 JUPWZXFAKVMJRD-UHFFFAOYSA-N 419.521 5.833 0 40 HKAB O=C(O)[C@@H](Cc1ccccc1Sc1ccccc1)Oc1cccc2ccccc12 225131835 DNKDWMXBGDVGPD-HSZRJFAPSA-N 400.499 6.066 0 40 HKAB CCC1(CC)C[C@H](NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c2ccccc2O1 225285191 DRYIEEZBHKBLOE-QHCPKHFHSA-N 417.553 5.361 0 40 HKAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 225414492 GZUGFZUHLSCTGQ-XMMPIXPASA-N 424.560 5.015 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)NC2(CCc3ccccc3)CCCC2)c1 225862073 WYYSWJZTKAPDRY-UHFFFAOYSA-N 416.974 5.359 0 40 HKAB O=C(c1nccc2ccccc12)N1CCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257206864 BFFRWYBUDJWDGB-NRFANRHFSA-N 417.896 5.444 0 40 HKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1cccc(Cl)c1)C[C@]2(C)NC(=O)c1ccc(F)cc1 257240028 HRTNXCSFZNSKGO-XKWXGUCDSA-N 415.936 5.934 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 408621233 KSWJLMXXJURHCP-UHFFFAOYSA-N 402.519 6.104 0 40 HKAB O=C(Nc1ccccc1)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408981066 YSHJRWCTCBHMHS-UHFFFAOYSA-N 418.460 5.398 0 40 HKAB CCOC(=O)C1=C(C)N=C(SCc2cccc(C)c2)N[C@H]1c1ccccc1OCC 408987502 FNDUGEQPIQSALJ-QFIPXVFZSA-N 424.566 5.165 0 40 HKAB CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1Cl 409164075 CDXTWBBERKBLCV-UHFFFAOYSA-N 422.941 5.502 0 40 HKAB COc1ccccc1OCc1ccc(C(=O)Oc2ccc(Cc3ccccc3)cc2)cc1 409179168 QDJBESNRZVKFMU-UHFFFAOYSA-N 424.496 6.084 0 40 HKAB CCn1c(COc2ccccc2F)nnc1SCc1ccc(Cl)cc1Cl 409386985 XZNFFDDABSVICT-UHFFFAOYSA-N 412.317 5.615 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 606422480 UMLBYQHRIHNSCB-DTQAZKPQSA-N 413.908 5.522 0 40 HKAB Cc1cc(-c2ncc(CNC(=O)c3ccc4c(c3)[nH]c3ccccc34)cc2F)ccn1 1248485427 GOMFFTZBKYVUOE-UHFFFAOYSA-N 410.452 5.156 0 40 HKAB C[C@@H](NC(=O)COc1ccc(-c2cccnc2)cc1Cl)c1ccc2c(c1)CCCC2 1615055821 QILZSRVLYZJNKF-QGZVFWFLSA-N 420.940 5.537 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c1 677987 GDGSNONFMHMTTE-UHFFFAOYSA-N 420.900 5.017 0 40 HKAB Cc1ccc([C@H](CCN[C@@H](C)c2ccc(Cl)cc2)c2ccc(OC(C)C)cc2)cc1 1819008 BQCMHIUJKMUBKE-IDISGSTGSA-N 422.012 7.308 0 40 HKAB biogenic CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 1909343 IMNNJJPUMWDTAW-UHFFFAOYSA-N 407.897 5.712 0 40 HKAB O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccc(-c3ccccc3)cc2)cs1 2063114 WMZGZHFJRHYPEJ-UHFFFAOYSA-N 415.901 6.904 0 40 HKAB Cc1ccc2ccccc2c1COc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1C 2092359 AEMMJJOVZSSGQU-UHFFFAOYSA-N 402.446 5.078 0 40 HKAB biogenic Fc1ccccc1-c1nnc(SCc2csc(-c3ccccc3)n2)n1C1CC1 2649824 IWBPREATQZFBIE-UHFFFAOYSA-N 408.527 5.835 0 40 HKAB CCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 2714529 KCJDGWSCAPIYRD-UHFFFAOYSA-N 421.342 6.062 0 40 HKAB O=C(COC(=O)CSc1ccc2ccccc2c1)Nc1c(Cl)cccc1Cl 3237088 FSKOZXUBHOTJEO-UHFFFAOYSA-N 420.317 5.421 0 40 HKAB O=C(Nc1ccccc1F)C(=Cc1ccccc1Cl)C(=O)Nc1ccccc1F 3256468 REJROBCISUKDON-UHFFFAOYSA-N 412.823 5.279 0 40 HKAB CC(C)c1ccc(NC(=S)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)cc1 3286842 AZAGSRPTHLVUMC-HSZRJFAPSA-N 415.002 6.131 0 40 HKAB Cc1cc(Br)ccc1NCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 3399506 DRYFREZFLBHSAR-UHFFFAOYSA-N 421.644 5.480 0 40 HKAB FC(F)(F)c1cccc(CSc2nnc(-c3csc(-c4ccccc4)n3)o2)c1 3469881 IQUMITGITIOPBP-UHFFFAOYSA-N 419.453 6.171 0 40 HKAB Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3C(F)(F)F)cc(C)c2c1 4161031 NHOUVBZQMPJLGA-UHFFFAOYSA-N 404.457 5.910 0 40 HKAB OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccc(Br)c1 4241541 DGDLIUPMEBOQGU-UHFFFAOYSA-N 408.122 6.040 0 40 HKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)CC1CCCC1 4341994 SNVNEOGWQFRVTF-UHFFFAOYSA-N 406.482 5.603 0 40 HKAB C[C@H]1C[C@H](C)CN(c2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn23)C1 4980475 CKMJQVOTLMVOEC-ROUUACIJSA-N 400.501 5.685 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2cccc(Cl)c2Cl)o1 5616206 WNGUTVCOMPRXJI-UHFFFAOYSA-N 415.320 6.496 0 40 HKAB Cc1ccc(C)c(-c2csc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2C(N)=O)c1 6189968 KAFPEXCNIZWWSD-UHFFFAOYSA-N 422.594 5.676 0 40 HKAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2ccc3c(c2)CCCC3)o1 6374548 JMGLPFYCKQCLME-CQSZACIVSA-N 412.486 5.203 0 40 HKAB O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)Nc1cccc(Cl)c1Cl 6475163 MYXOWEGYFMOHFL-UHFFFAOYSA-N 415.198 5.332 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)c1 6860176 VTUBFQJAOMRRQT-UHFFFAOYSA-N 420.896 6.091 0 40 HKAB COc1cccc(CN(C)[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1OC 6875943 WXIKIHATNJIKEP-XMMPIXPASA-N 418.537 5.132 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 7055771 FMCKBUOKEKQUJX-UHFFFAOYSA-N 403.448 5.941 0 40 HKAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(COc2ccccc2)o1 7982885 PIVWEEINPRNLSU-UHFFFAOYSA-N 408.454 5.297 0 40 HKAB COc1cc(CN(C)C(=O)c2cccc3cccnc23)ccc1OCc1ccccc1 7988083 VUHLTAZGMDTGBE-UHFFFAOYSA-N 412.489 5.095 0 40 HKAB Cc1cccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2cc(Cl)ccc2C)c1 8476760 DJDNPSBHPZTKET-UHFFFAOYSA-N 416.912 5.135 0 40 HKAB Cc1c(-c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2ccc(F)cc2c1C(=O)O 8819029 CQHVGLOEIQNWDU-UHFFFAOYSA-N 416.235 6.614 0 40 HKAB COc1ccc(-c2nc(C)c(-c3ccc(SCc4cccc(F)c4)nn3)s2)cc1 8875753 XDAVAYMMAKSARL-UHFFFAOYSA-N 423.538 6.016 0 40 HKAB Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)c4ccccc4)CC3)c3ccccc3n2)o1 8942191 JKFDFJBLIHKXKP-UHFFFAOYSA-N 424.500 5.538 0 40 HKAB COc1cccc(Oc2c(-c3ccc(OCc4ccc(F)cc4)cc3O)n[nH]c2C)c1 8973384 RGECZHCMGRIRGP-UHFFFAOYSA-N 420.440 5.610 0 40 HKAB C[C@@H]1C[C@H](NC(=O)c2csc(NC(=O)Nc3ccc(Cl)cc3)n2)CC(C)(C)C1 9319025 HXVPWAZVCKJZBP-DOMZBBRYSA-N 420.966 5.385 0 40 HKAB O=C1c2ccccc2[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1Cc1ccccc1 9355410 PURJLANYAMKREL-MUUNZHRXSA-N 414.508 6.580 0 40 HKAB COc1ccccc1[C@@H]1c2c(-c3ccc(C)cc3)n[nH]c2C(=O)N1[C@H]1C=CC(F)=CC1 9374997 PLXXGFPCKRYQJD-MHECFPHRSA-N 415.468 5.121 0 40 HKAB Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2C)c(C)c1 9461884 CQOFUUFPUICRTA-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB Cc1ccc(C)c(-n2cnnc2SCC(=O)N(Cc2ccco2)C2=CCCCC2)c1 9516989 FWQALALLSAOKRK-UHFFFAOYSA-N 422.554 5.056 0 40 HKAB Cc1ccc(NC(=O)c2cccc(OCc3csc(C)n3)c2)c(Br)c1 12974834 FCTIFXLKRVKVDS-UHFFFAOYSA-N 417.328 5.354 0 40 HKAB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3ccccc3c2Br)cc1 13003823 HRBICXKURHDANO-CQSZACIVSA-N 412.283 5.211 0 40 HKAB CCCc1noc([C@H](C)Sc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)n1 13009074 VGMAQVQFOSBLSN-HNNXBMFYSA-N 423.517 5.321 0 40 HKAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(OC(F)F)cc1 13074199 MEPCPHAALWSUHV-UHFFFAOYSA-N 421.831 5.042 0 40 HKAB Clc1ccccc1CSc1nc2ccccc2c2nc(-c3ccncc3)nn12 13640187 QWAHOCVKBDCXEN-UHFFFAOYSA-N 403.898 5.285 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1O 13945520 BODKUTXVQKEMLI-UHFFFAOYSA-N 415.276 5.512 0 40 HKAB C[C@H](NC(=O)c1cccc(NC(=O)c2cccs2)c1)c1cccc2ccccc12 14075524 UYENRSQNRACVFC-INIZCTEOSA-N 400.503 5.645 0 40 HKAB Cn1c2ccccc2n2c(C(=S)NC(=O)c3ccccc3)c(-c3ccccc3)cc12 16756836 KJTDSEJULDKWHG-UHFFFAOYSA-N 409.514 5.204 0 40 HKAB Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)C[C@@H](c1cccc(Cl)c1)C3 17092908 ICPUTEPUTVBGSV-INIZCTEOSA-N 422.315 5.924 0 40 HKAB Oc1ccc(Nc2ncnc3c2oc2ccccc23)cc1-c1nc2ccccc2s1 17198178 WXVGNSOZNVPUCV-UHFFFAOYSA-N 410.458 6.102 0 40 HKAB CCOCCOc1cccc(CNc2ccc(OCCOc3ccccc3)cc2)c1 19738254 BXXROSALZZXUCW-UHFFFAOYSA-N 407.510 5.172 0 40 HKAB CCc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2ccc(OC)cc2OC)CC3=O)cc1 20101971 BEBDBEZOGLRDGX-QGZVFWFLSA-N 417.509 5.021 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 20489081 PRHQDKGWVBHQCK-HSZRJFAPSA-N 409.982 6.440 0 40 HKAB CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc(C(C)C)cc4)c3)nn12 20609619 MYTRAJOEEAHGAE-UHFFFAOYSA-N 405.527 5.181 0 40 HKAB COc1cccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4Cl)nc32)c1 21801289 JISZDOQZFWDOPZ-UHFFFAOYSA-N 403.873 5.014 0 40 HKAB Cc1ccc(S[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 21954269 UGKABTRPEKPCBE-AWEZNQCLSA-N 401.582 5.258 0 40 HKAB CCCCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N=C3O)o2)ccc1Cl 27499759 XOOXDZSVHTXSME-YBEGLDIGSA-N 421.927 5.886 0 40 HKAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)C1(C)C 27987508 GMRLDCPCEVWYMQ-QUCCMNQESA-N 402.494 5.862 0 40 HKAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)c1cccc(C(F)(F)F)c1 28220966 GHPSVQPZXNXCAF-UHFFFAOYSA-N 407.823 5.473 0 40 HKAB CCOc1ccc(-c2nc(-c3cccc(NC(=O)c4cc(C)oc4C)c3)no2)cc1 28221878 SPVCDRCCLYASHM-UHFFFAOYSA-N 403.438 5.264 0 40 HKAB Cc1cc2oc(C(=O)N(Cc3cccs3)c3cccc(Cl)c3)c(C)c2cc1C 28287295 YUTGEFVFTANCLZ-UHFFFAOYSA-N 409.938 6.920 0 40 HKAB CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 28288677 ZOJGJASRLKFFDO-DEOSSOPVSA-N 408.586 5.338 0 40 HKAB O=C1[C@@H](c2ccccc2)[C@@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H]1c1ccccc1 33926917 CRLQJTSACHTAGF-KXSOJQAOSA-N 403.525 6.209 0 40 HKAB O=C(OCc1csc(-c2ccco2)n1)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 37143156 MNBWRDQDJWBQNG-GOOCMWNKSA-N 421.609 5.449 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 37210502 JGSALTHINICRFQ-FQEVSTJZSA-N 402.972 5.358 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38849517 GMJWKEIVKBTFPE-UHFFFAOYSA-N 411.760 5.806 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 39724132 SUOCOLISQVGSJX-MRXNPFEDSA-N 419.959 5.377 0 40 HKAB Cc1nn2c(ncc3c(=O)n([C@@H]4CCCC[C@H]4C)ccc32)c1-c1ccc(Cl)cc1 40397623 MGXJNNLKEXNCTM-AUUYWEPGSA-N 406.917 5.424 0 40 HKAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2Cl)n1 67296783 AAOIHMSFAIVBLI-ROMGYVFFSA-N 407.832 5.413 0 40 HKAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72214827 SPIVGHOIJIAFRI-QGZVFWFLSA-N 405.539 5.305 0 40 HKAB CC(C)c1ccc(C2(O)CCC(N[C@@H](C)c3ccc(-c4cncnc4)cc3)CC2)cc1 95454570 NKSZGSHLKPEQQH-FUNONRDXSA-N 415.581 5.748 0 40 HKAB OC1=C2C(=Nc3ccccc3N[C@H]2c2c(F)cccc2Cl)C[C@@H](c2ccccc2)C1 100425744 BZUIDZMGGAPFRG-CPJLOUKISA-N 418.899 7.108 0 40 HKAB O=C1Nc2sc(F)c(-c3ccc4ccccc4c3)c2C(=O)[C@@]1(F)c1ccccc1 118176729 FAMHLRLAHVBBQG-QHCPKHFHSA-N 405.425 5.707 0 40 HKAB Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1C(=O)O 144222463 UJAGWNAUFOPUFI-MOSHPQCFSA-N 418.474 5.033 0 40 HKAB Cc1ccc(C(=O)[C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN23)cc1 222396835 SELOHVQCYJVCBE-DHLKQENFSA-N 416.908 5.709 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)CCSc3ccc(Cl)cc3)ccc21 225132287 ALTUAVOSCMCBNB-UHFFFAOYSA-N 406.960 5.418 0 40 HKAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1Cl 225514653 NOVPFXXKWKRRGE-KRWDZBQOSA-N 401.934 5.513 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)CSCc2c(F)cccc2Cl)c2ccccc2O1 225515721 MHHFIQAQOWRUPH-LJQANCHMSA-N 421.965 5.911 0 40 HKAB COc1ccccc1CCCNC(=S)Nc1ccc(CSc2ccccc2)cc1 225550197 DZQKKKGEQKZKBZ-UHFFFAOYSA-N 422.619 5.907 0 40 HKAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(N3CCCC3=O)c(C)c1)CC(C)(C)O2 225675949 XSXSMGFNWVIZHR-LJQANCHMSA-N 423.582 5.019 0 40 HKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225896229 FQEQNYNQJQTAGO-UHFFFAOYSA-N 400.563 5.828 0 40 HKAB CCOc1cc(/C=C/C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC 408601670 LIKPOAHVAWGRRR-MHWRWJLKSA-N 403.478 5.325 0 40 HKAB O=C(O)c1cccc(NCc2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 408604676 FHWBEGPXYPMFBJ-UHFFFAOYSA-N 402.277 5.883 0 40 HKAB O=C(O)c1cccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1 408613986 XCUBZUIILZCVMO-UHFFFAOYSA-N 417.892 6.383 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]21)c1ccccc1 408623951 SYBTWNANZHDTAD-IMAQQZIHSA-N 410.300 5.389 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(C)cc2C)cc1 408698409 NMWNPJOKRINNNY-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1C 408812894 PVAZTHCAWVJYSJ-GZABKKFDSA-N 421.586 6.058 0 40 HKAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 409101089 PNJFAQDXLMPYKM-RNEAKCBISA-N 403.956 6.326 0 40 HKAB Cc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCC3)o2)c1 865462 GAKKTSKGHJTUAV-UHFFFAOYSA-N 416.930 5.127 0 40 HKAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NC1CCCCCC1 901609 PVHBXKQOJDJEFL-UHFFFAOYSA-N 415.506 5.155 0 40 HKAB COCc1cc(C)nc2sc3c(c12)N[C@H](C1CCCCC1)n1c-3nc2ccccc21 1421456 RFFOJADQZNLITR-QFIPXVFZSA-N 418.566 6.272 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)sc2c1 1738598 NVKWTYYGOOPYJI-UHFFFAOYSA-N 423.335 6.287 0 40 HKAB CCCCc1ccc(N(C(=O)CC(C)(C)C)S(=O)(=O)c2ccc(Cl)cc2)cc1 1792011 FBFDTNSWGMIZGD-UHFFFAOYSA-N 421.990 5.841 0 40 HKAB O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cc(Cl)ccc1Cl 2071585 YZARYQKHQGWTRN-UHFFFAOYSA-N 417.679 6.707 0 40 HKAB Cc1ccccc1NCc1ccc(C(=O)OCC(=O)c2ccc3ccccc3c2)cc1 2079610 LLOKVMWZNCYNAG-UHFFFAOYSA-N 409.485 5.800 0 40 HKAB Cc1cccc(C(=O)N2c3cc(F)ccc3-c3c(ssc3=S)C2(C)C)c1 2092164 BAJWNZJKNZKAAJ-UHFFFAOYSA-N 401.553 6.549 0 40 HKAB O=P(Nc1ccc(Cl)cc1F)(Oc1ccccc1F)Oc1ccccc1F 2210804 RWQFKBFPVVTOER-UHFFFAOYSA-N 413.719 6.435 0 40 HKAB Cc1ccc([C@]2(CCN[C@H](C)c3ccc(Cl)cc3)CCO[C@H](C(C)C)C2)cc1 2216080 VJRNJFGPKMJBSQ-DCEDVJGZSA-N 400.006 6.462 0 40 HKAB CCCCc1nc2sc3c(N(CC)CC)nc(SC)nc3c2c2c1CCC2 2439429 RWKXWKXLMGFVIK-UHFFFAOYSA-N 400.617 5.639 0 40 HKAB O=C(/C=C/c1ccco1)Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2 2709757 DMLCXNACJDPKFE-VAWYXSNFSA-N 406.532 6.149 0 40 HKAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1cccc(Br)c1 4176256 MXWRXHOKMYEIHE-UHFFFAOYSA-N 409.308 5.563 0 40 HKAB Cc1cc(I)ccc1NC(=O)[C@H](C)c1ccc(CC(C)C)cc1 4653430 LYJRFOOGINBRNH-OAHLLOKOSA-N 421.322 5.540 0 40 HKAB CCCCOc1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(OCCCC)cc2)cc1 4714725 HNDDMVNOCNVGLT-ZEQRLZLVSA-N 416.514 5.201 0 40 HKAB Cc1ccc(CSc2nc3ccccc3n2C(=O)/C=C/c2ccc(Cl)cc2)cc1 4812913 VEVHPCOICZMJIF-NTCAYCPXSA-N 418.949 6.644 0 40 HKAB CCOc1ccc(-c2cn3c(CC(=O)Nc4cccc(C)c4C)csc3n2)cc1 5147015 WZOAOJNDMHCQRW-UHFFFAOYSA-N 405.523 5.260 0 40 HKAB CC(C)CC[C@@H](CCN[C@H](C)c1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 5499227 OWFDAHUBFQIBJD-OFNKIYASSA-N 402.022 7.388 0 40 HKAB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Cl)cc2)c2cccs2)cc1 5554983 WWLKRSXNBCZODV-FQEVSTJZSA-N 404.940 5.498 0 40 HKAB CCCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3C2CCCC2)cc1 5735348 XLUWSQGCRWFFJG-FQEVSTJZSA-N 415.559 5.048 0 40 HKAB Clc1ccc(CSc2nc3c(c(SC4CCCCC4)n2)CCCC3)cc1 5769490 IPMXQWMNTUEKRH-UHFFFAOYSA-N 405.032 6.726 0 40 HKAB COc1ccc(C)cc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 6395429 KEXGDFXMEKIPOT-FQEVSTJZSA-N 422.912 5.157 0 40 HKAB CCOc1ccc(CNc2ncc(-c3ccc(Cl)c(Cl)c3)n2C)cc1OC 6564725 QRKRPFFHLRFOHU-UHFFFAOYSA-N 406.313 5.413 0 40 HKAB Cc1ccc(C)c(Cn2c([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)c1 7544693 GGDOZRNJVQMGLT-HXUWFJFHSA-N 413.496 5.361 0 40 HKAB C[C@H](NC(=O)[C@@H](C)OC(=O)c1sc2ccccc2c1Cl)c1ccc(F)cc1 7652999 CKUADBJTBKLAJO-NWDGAFQWSA-N 405.878 5.117 0 40 HKAB O=C(COc1ccc2c(c1)CCC2)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 7783368 WPXWBDDJMGGGQA-JOCHJYFZSA-N 416.546 5.045 0 40 HKAB CCOc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 8254013 RPRFFSDTJPPQNL-KRWDZBQOSA-N 413.920 6.308 0 40 HKAB Cc1nc(-c2ccccc2)nc2sc3c(=O)n(Cc4ccccc4Cl)cnc3c12 8992419 IKXCFIHZOUNXHL-UHFFFAOYSA-N 418.909 5.078 0 40 HKAB CC(=O)c1cccc(NC(=O)CSc2nc(-c3cccs3)nc3ccccc23)c1 9643748 FGLKLEKEENEJAE-UHFFFAOYSA-N 419.531 5.292 0 40 HKAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccc(NC(C)=O)cc3)on2)cc1 12154153 JWOUYKNCRXCROE-DEOSSOPVSA-N 419.525 5.426 0 40 HKAB COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(F)cc4)=NN23)cc1 12196724 AEGDELKUDBWWDG-QPPBQGQZSA-N 404.441 5.085 0 40 HKAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cccc(C)c4)sc3n2)cc1OC 12250921 QSCVKXRRLLJQRJ-UHFFFAOYSA-N 419.506 5.123 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(-c2nc3ccccc3o2)c1 13946151 TTXDAACKTHZDQC-JQIJEIRASA-N 406.441 6.407 0 40 HKAB CCOC(=O)CSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 16757820 RUOZBLLCKGACGU-UHFFFAOYSA-N 423.925 5.396 0 40 HKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1 17092582 YMRYKTDIELJBDA-UHFFFAOYSA-N 421.294 6.072 0 40 HKAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2Oc2ccccc2)cc1OC 20450218 MHCMZOZBOYWNIK-INIZCTEOSA-N 409.507 5.615 0 40 HKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccc(C)c(C)c2)CC1=O 21524551 LWMKNYRKQHAYRK-NRFANRHFSA-N 419.569 5.238 0 40 HKAB COc1ccc(NC2=C[C@@H](c3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 21775448 OEKDYECETQFWRX-DEOSSOPVSA-N 400.478 5.096 0 40 HKAB CCn1cc(C(=O)Nc2c(C)cc(C)cc2C)c(=O)c2cc(C(F)(F)F)ccc21 22236962 NIIRPEGJXABAKE-UHFFFAOYSA-N 402.416 5.218 0 40 HKAB Cc1noc(CSc2ccccc2C(=O)Nc2cc(Cl)cc3cccnc23)n1 22994205 SYQPQVJTYSKDFU-UHFFFAOYSA-N 410.886 5.124 0 40 HKAB CC(C)c1cc(Nc2ccc(Br)cc2)n2ncc(-c3ccccc3)c2n1 27585227 HFOUPLBBHIMGAR-UHFFFAOYSA-N 407.315 6.026 0 40 HKAB Cc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)Nc1ccc(F)cc1F 27922690 ZJXJRZKUCHYPIL-UHFFFAOYSA-N 406.436 5.624 0 40 HKAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1ccccc1C(F)(F)F 28210688 UKLGNDRHJGFVPP-UHFFFAOYSA-N 403.787 5.842 0 40 HKAB Clc1ccccc1Cn1cc(CNCCc2c[nH]c3ccccc23)c2ccccc21 28428298 QFESTMWXDCFVBN-UHFFFAOYSA-N 413.952 6.157 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(I)cc3)o2)cc1C 35155492 IWKDMRHUMUYHEW-UHFFFAOYSA-N 417.246 5.420 0 40 HKAB CCOc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S1 35646045 VSQHMIIKCPNOTQ-MOSHPQCFSA-N 424.909 6.081 0 40 HKAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)c(OC)c1 36360510 LGLXXZGURQVNRB-INIZCTEOSA-N 417.387 5.032 0 40 HKAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)c1 39773351 LAJWZCYCGKRNLK-UHFFFAOYSA-N 410.867 5.518 0 40 HKAB Cc1cccc(C(=O)Nc2cccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2)c1 41091611 XETGJDUAHDZAPW-UHFFFAOYSA-N 402.538 5.792 0 40 HKAB COc1ccc2c(c1)CCC(Br)=C2c1ccc(OCc2ccccc2)cc1 65734990 AGUZMTPOIVMGQR-UHFFFAOYSA-N 421.334 6.375 0 40 HKAB in-vitro Cc1ccccc1[C@@H]1CCCN1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 95352044 TZUVINPRDKWLNG-IBGZPJMESA-N 414.431 5.569 0 40 HKAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1)c1csc2ccccc12 100156409 VCHBHMIVJOUBPV-GASCZTMLSA-N 423.563 5.717 0 40 HKAB C(=C1/c2ccccc2[C@H]2[C@H]1O[C@@H]1/C(=C/c3ccccc3)c3ccccc3[C@H]12)\c1ccccc1 100369402 QTCLDESTKURNLW-HQNTXTEGSA-N 424.543 7.430 0 40 HKAB C[C@H](NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)[C@@H]1C[C@H]2CC[C@H]1C2 102151112 JJJIXHXDPRNWPV-ORGXJRBJSA-N 413.602 5.379 0 40 HKAB O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103118285 HWJRDBRXMDIBSL-RCRDTURJSA-N 423.866 5.407 0 40 HKAB Cc1ccc([C@@H]2C[C@H]2c2nc3c4c5c(sc4ncn3n2)C[C@@H](C(C)(C)C)CC5)cc1 103153469 YYJZSGGIAMLBNS-YTQUADARSA-N 416.594 6.070 0 40 HKAB CCc1cccc(CC)c1NC(=O)COc1ccc(C(C)(C)C)cc1Br 218881185 UQYGTNWZHYEZJC-UHFFFAOYSA-N 418.375 5.889 0 40 HKAB CC(C)c1ccc(OCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 218959102 TZQLHPAIZLJFOS-UHFFFAOYSA-N 412.382 5.545 0 40 HKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 222812776 HOACXXKTMBBKOY-OAHLLOKOSA-N 408.310 5.308 0 40 HKAB CC(C)c1ccc(OCC(=O)NCc2cccc3ccccc23)c(Br)c1 222863420 UEBPCJMSMWAHGC-UHFFFAOYSA-N 412.327 5.421 0 40 HKAB O=C(COc1cccc2c1CCCC2)NCCSCc1ccc(Cl)c(Cl)c1 224223248 BZWLRYQELKTZAC-UHFFFAOYSA-N 424.393 5.301 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 224335454 CEIMPJQSGBCZRR-SFHVURJKSA-N 423.940 6.970 0 40 HKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 224415856 NNGIXXMBBWYKEL-FGZHOGPDSA-N 406.530 5.314 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1COCC(C)C 224742819 XJMOZZNMEIYLJJ-UHFFFAOYSA-N 421.921 5.181 0 40 HKAB CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225062490 VWAVDPUUZGZJEV-UHFFFAOYSA-N 410.720 5.081 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1OCC 225063334 UDQITMUQXRXBCN-UHFFFAOYSA-N 423.484 5.132 0 40 HKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225844515 YIQQOQLJCVLFGM-UHFFFAOYSA-N 421.578 5.457 0 40 HKAB COc1ccc(C2(NC(=S)Nc3ccc(OC4CCCC4)cc3)CCCC2)cc1 225869037 UDBOGNDTZCCQGJ-UHFFFAOYSA-N 410.583 5.773 0 40 HKAB COC(=O)CCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 226342150 APNZDCFTNJZMRE-UHFFFAOYSA-N 418.114 5.441 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3CCC4=C(CC[C@@]4(C)[C@@H](C)OC(C)=O)[C@H]3CC[C@]2(C)C1 253617486 PFGGRDCYFHNFSS-YRWNTYMISA-N 416.602 5.983 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260818232 YJSYRUXMQKOADK-OFVILXPXSA-N 418.622 5.501 0 40 HKAB CCOc1cc(C(=O)NCc2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 408552127 HLEGMZLFHRLVDC-UHFFFAOYSA-N 409.913 5.556 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1SCc1ccccc1 408711112 HKPWPVWZCQJEIB-UHFFFAOYSA-N 421.871 6.903 0 40 HKAB COC(=O)c1ccc(C)c(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)c1 408819696 RGKPHDWADQMCLV-MOSHPQCFSA-N 419.458 5.283 0 40 HKAB Cc1ccc(NC(=O)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1C 408977635 JGZQMHPZQVEPJJ-UHFFFAOYSA-N 422.492 5.881 0 40 HKAB Cc1ccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)cc1 409118587 RNVHICUVBCSGOZ-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB Cc1ccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 409121765 WHRVBXZPRCXZQD-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)Nc3ccc(F)cc3)C3CCCC3)cc2c1 931495 DXDAEDBJKAJNDI-UHFFFAOYSA-N 423.557 5.426 0 40 HKAB O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1)Cc1ccccc1Cl 1330069 AVXZZQNAMPBMRJ-UHFFFAOYSA-N 403.865 5.289 0 40 HKAB COc1cc(/C=C/C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1 1768553 YNYFPKNZVAWWFQ-MDWZMJQESA-N 421.924 6.196 0 40 HKAB Cc1ccc(-c2csc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1 1773534 KTQOUDLMYGEFAA-UHFFFAOYSA-N 408.567 6.214 0 40 HKAB COc1ccc(-c2coc3cc(OCc4cc(C)ccc4C)ccc3c2=O)cc1OC 2103144 YHAXCKGABVNWJJ-UHFFFAOYSA-N 416.473 5.673 0 40 HKAB biogenic Cc1ccc(OCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 2284589 DMZWUWUKKZJAEU-UHFFFAOYSA-N 407.322 5.367 0 40 HKAB C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(-c2ccccc2)cc1 2285927 HFJSJLBABIZLTL-IDISGSTGSA-N 418.540 6.946 0 40 HKAB COc1ccc(-c2cncnc2-c2ccc(OCc3ccccc3)cc2O)cc1OC 2398716 USUFTJQAIVGPDJ-UHFFFAOYSA-N 414.461 5.112 0 40 HKAB biogenic COc1ccccc1Oc1coc2cc(OCc3ccc(Cl)cc3)ccc2c1=O 2425098 RBDOVXOTYFQDCT-UHFFFAOYSA-N 408.837 5.826 0 40 HKAB biogenic CCOc1ccc2c(-c3ccccc3)c(-c3ccc(Cl)cc3Cl)c(=O)oc2c1 2576889 FRHMXYSBSPBBCG-UHFFFAOYSA-N 411.284 6.833 0 40 HKAB biogenic COc1ccc(-c2csc(NC(=O)Cc3cccc4ccccc34)n2)cc1OC 2651429 DJIXFYROQNNGPN-UHFFFAOYSA-N 404.491 5.162 0 40 HKAB CCOC(=O)c1ccccc1NC(=S)N(CCc1ccccc1)Cc1ccccc1 2686852 GTBAJKSJXLKQLE-UHFFFAOYSA-N 418.562 5.305 0 40 HKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(N4CCC(C)CC4)ncnc32)cc1 2715223 WFSKSFSVGWUOHE-UHFFFAOYSA-N 412.537 5.723 0 40 HKAB CC[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3)c2C(=O)OC)C1 2752553 OOFDYUWIWJKAAQ-HJTPGIPUSA-N 403.931 5.355 0 40 HKAB Cc1cc(C)n(C[C@H](O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)n1 3213744 PHRBKIUKMGYXQS-XMMPIXPASA-N 421.544 5.850 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(C)n1Cc1ccccc1 3332573 WIKRJADZIGYGRB-DLBZAZTESA-N 408.571 5.268 0 40 HKAB Cc1cccc(Nc2nnc(SCc3cc(Cl)cc4c3OCOC4)s2)c1 3341752 VWROPTMYYMJKJN-UHFFFAOYSA-N 405.932 5.402 0 40 HKAB O=C(CCCOC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1 3360021 UVMCAZIDTCNHDV-UHFFFAOYSA-N 416.098 5.576 0 40 HKAB CC[C@@H](c1nnc(S[C@@H](C)C(=O)c2ccc(C)cc2)n1Cc1ccccc1)N(C)C 3552228 FKLCIHAIQIMVTK-RXVVDRJESA-N 422.598 5.011 0 40 HKAB CC(=O)N(Cc1ccc(OC(C)C)cc1)C(=O)CC[C@@]1(C(C)C)CCOC(C)(C)C1 4061931 OOCULLNXUYYSNQ-RUZDIDTESA-N 417.590 5.361 0 40 HKAB biogenic Cc1ccc(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1C 4200752 CXHFTJIEGHDBPG-UHFFFAOYSA-N 409.536 5.084 0 40 HKAB CCOc1cccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc54)o3)cc2)c1 4568542 PRRATDWXALSBSA-UHFFFAOYSA-N 408.457 6.299 0 40 HKAB CN(C)CCN(C(=O)c1ccccc1Oc1ccccc1)c1nc2ccccc2s1 4585293 MTDVSRZXUYXFSJ-UHFFFAOYSA-N 417.534 5.297 0 40 HKAB CSc1ccccc1-c1nnc(NC(=O)C(c2ccccc2)c2ccccc2)o1 4585572 NRKKSTCJDGVKJA-UHFFFAOYSA-N 401.491 5.229 0 40 HKAB CCC(C)(C)[C@@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4cccs4)cc3c2C1 4735757 JGRBKGITJSQXSZ-OAHLLOKOSA-N 417.596 6.145 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)c3ccccc3C)C3CCCCC3)cc2c1 4861282 GPTADKIGBWIXTL-UHFFFAOYSA-N 420.984 6.789 0 40 HKAB CC[C@@]1(C)CC[C@H]2[C@H](CC[C@H]3[C@](C)(C(=O)OC)CCC[C@]23C)C12SCCS2 5104646 OYCPIYLGNKGHOM-QPOFKBRPSA-N 410.689 6.385 0 40 HKAB COc1ccc(C(=O)CSc2nc3ccccc3n2CCc2ccccc2)cc1 6314279 ARCABWPOAAQGKY-UHFFFAOYSA-N 402.519 5.263 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc5ccccc5c4)c3)nc2c1 6449748 UZXMSGCQGHNIJR-SFHVURJKSA-N 420.512 7.414 0 40 HKAB Cc1ccc(C)c(CN2C(=O)N(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc32)c1 8023903 JMEVHVAUFHHORJ-UHFFFAOYSA-N 420.534 5.256 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 8903631 FBHAJMLLHOCRDI-UHFFFAOYSA-N 412.511 5.293 0 40 HKAB CCOc1cc(C=O)ccc1OCC(=O)N1c2ccccc2Sc2ccccc21 9235411 JEQOOISDSQWAAT-UHFFFAOYSA-N 405.475 5.106 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cc3ccccc3o1)CC2 9645471 RLBXZZRVBDXHRA-RUZDIDTESA-N 413.473 5.238 0 40 HKAB COc1cccc2cc(-c3csc(NC(=O)c4ccc(SC(C)C)cc4)n3)oc12 10749146 QKGOWRIAWPUMAA-UHFFFAOYSA-N 424.547 6.318 0 40 HKAB COc1ccc(Cl)cc1N(C(=O)Nc1cccc(Cl)c1)C1=NCC(C)(C)S1 12402433 FDJOPFWKAOESOC-UHFFFAOYSA-N 424.353 5.922 0 40 HKAB CC1(C)CCc2c(c3c(-c4ccccc4)coc3c3c(-c4ccccc4)cc(=O)oc23)O1 12893545 YMAXHCFBNMQBPL-UHFFFAOYSA-N 422.480 6.977 0 40 HKAB biogenic Cc1ccc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1 13381973 RPYJVFXFBFEQSD-UHFFFAOYSA-N 421.327 7.078 0 40 HKAB Cc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2Cl)c1 13661877 PWXDWAUXRIUGOU-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB CC(=O)c1sc(NC(=O)Cc2csc(-c3ccccc3)n2)nc1-c1ccccc1 13986762 OLXLQLBKMMZYJA-UHFFFAOYSA-N 419.531 5.317 0 40 HKAB Cc1cc(-c2cc(C(=O)N3CCc4ccccc43)c3cnn(C(C)C)c3n2)c(C)s1 14018895 ODXISCCNJCDKGU-UHFFFAOYSA-N 416.550 5.560 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 16194624 DWRTZDVRJJGQOZ-UHFFFAOYSA-N 414.248 5.458 0 40 HKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 17091791 HEPFQNXZGBJCHQ-CYBMUJFWSA-N 419.377 6.839 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2OCc2csc(C)n2)c(Br)c1 18079820 KMHHRXHPIWETJJ-UHFFFAOYSA-N 417.328 5.354 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccccc2)c(Cl)c1 20043886 NEAGMUNNYVZRGG-UHFFFAOYSA-N 409.869 5.348 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(NC(=O)c4ccco4)c(C)c3)CCCC2)cc1 20096511 LATUSRWCBFZVIZ-UHFFFAOYSA-N 402.494 5.599 0 40 HKAB COc1ccc(-c2nc(C)c(C(=O)Nc3cccc(Cl)c3F)s2)cc1OC 21598068 FYBUKANJSKDOPF-UHFFFAOYSA-N 406.866 5.181 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2nonc2-c2ccc(OC)cc2)cc1Cl 27663392 CTDISEGQXUWAKU-UHFFFAOYSA-N 422.268 5.093 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 30940204 KSNKLMSBBYIAQB-UHFFFAOYSA-N 421.368 5.631 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(NC(=O)COc4cccc(C)c4C)cc3)n2)cc1 32623158 GBKRYVSJIUQFNR-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc2nc(C)c(C)nc2c1 32740765 LSOGBJKAYVRTMQ-UHFFFAOYSA-N 417.534 5.159 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1C 32771507 MLXVIKHJPZVUNO-INIZCTEOSA-N 418.497 5.161 0 40 HKAB O=C(COc1ccc(CNc2cccc(Cl)c2)cc1Cl)Nc1ccc(F)cc1 33412395 PLAOJYZOIKEJSK-UHFFFAOYSA-N 419.283 5.762 0 40 HKAB O=C(NCCSc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 39755777 DMQQMMIXOPCLBN-UHFFFAOYSA-N 423.409 5.114 0 40 HKAB CCOc1ccccc1OCCCC(=O)N[C@@H](c1nc2ccccc2[nH]1)[C@H](C)CC 40146170 OSUCXVTYUHGDBL-UZUQRXQVSA-N 409.530 5.024 0 40 HKAB CSc1cccc(NC(=O)Cn2c(Cc3ccccc3Cl)nc3ccccc32)c1 40301359 MXJDSYAOIFXNBT-UHFFFAOYSA-N 421.953 5.641 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1C 49005131 WHAXVAPNLGOSNZ-SFHVURJKSA-N 406.505 5.534 0 40 HKAB Cc1cccc(COc2cccc(C(=O)N(C)Cc3nc(C)c4ccccc4n3)c2)c1 58218569 PEJLYQTVTRBNSW-UHFFFAOYSA-N 411.505 5.098 0 40 HKAB COc1ccc(C[C@H](C(=O)Nc2ccc(OC)cc2)c2nc3ccccc3s2)cc1 67240469 GGJYKNDBCZADDJ-HXUWFJFHSA-N 418.518 5.279 0 40 HKAB Cc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c(C)c1 67321515 KNFIVZHOWWRIOS-BKMJKUGQSA-N 412.489 5.317 0 40 HKAB Brc1cc(-c2ccccc2)cc2nc(-c3cccc4ccccc34)oc12 73639153 MPCBWDXUNQTRRJ-UHFFFAOYSA-N 400.275 7.078 0 40 HKAB CN(C(=O)c1ccccc1F)c1ccc(NC(=O)c2ccccc2F)cc1Cl 78899389 LDFOOEFSBHJOIE-UHFFFAOYSA-N 400.812 5.147 0 40 HKAB CS(=O)(=O)c1ccc(-c2nc(CN[C@H](c3ccccc3)C3CCCCC3)co2)cc1 95452667 LEOPBOVGLCFRMU-HSZRJFAPSA-N 424.566 5.156 0 40 HKAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)Nc4cccc5[nH]ccc45)c(C)c3cc12 96115077 DSQUFVDVQJDWPX-UHFFFAOYSA-N 414.461 5.517 0 40 HKAB biogenic Cc1ccc(-c2noc(-c3cn(-c4ccc(C)c(C)c4)c(=O)c4ccccc34)n2)cc1 96324347 XWSHVECHWVYVDS-UHFFFAOYSA-N 407.473 5.633 0 40 HKAB C[C@H](NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)[C@H]1C[C@H]2CC[C@H]1C2 102151124 JJJIXHXDPRNWPV-VDNWNZSNSA-N 413.602 5.379 0 40 HKAB COc1ccc(-c2csc(C3=C(O)CN(C4CCCCCC4)C3=N)n2)cc1OC 102726223 JCVLKPYFAZNCPN-UHFFFAOYSA-N 413.543 5.112 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)OCC(=O)N5CCCCCC5)(C4)C2)C3)cc1C 103018340 AUDQTBHSQOTRNE-CFDLBASYSA-N 423.597 5.087 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 196384110 TYOAFNMUSLXLGY-UHFFFAOYSA-N 410.684 6.380 0 40 HKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3c(C)c(C)n(-c4ccccc4)c3C)N21 222719825 TVYFWNIRNJPJQE-WUMKDDEVSA-N 416.594 5.777 0 40 HKAB COc1ccc(C(=O)NCc2ccccc2)cc1COc1ccccc1C(C)(C)C 224166512 NUNKNLLQNBROPV-UHFFFAOYSA-N 403.522 5.502 0 40 HKAB COc1ccc(NC(=O)c2ccc(OC)c(CSc3ccccc3)c2)cc1Cl 224327353 IBMZOXLOFGQNID-UHFFFAOYSA-N 413.926 5.902 0 40 HKAB CCCCOCc1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1OC 224442894 CAVOTKMVBVMCSV-UHFFFAOYSA-N 405.494 6.057 0 40 HKAB O=C(NCc1ccccc1CN1CCCC1)c1ccc(CSc2ccccc2)cc1 224757754 QSFRAYGEYIMAHK-UHFFFAOYSA-N 416.590 5.505 0 40 HKAB COc1ccc(C)cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224962204 MEDSZZFHTJRRFM-UHFFFAOYSA-N 418.880 6.231 0 40 HKAB CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1cccs1 225135044 IPHZMURTMQMMJQ-UHFFFAOYSA-N 401.597 5.431 0 40 HKAB CCOC(=O)c1cc(NC(=S)NCCSCc2cccc(C)c2)ccc1Cl 225338693 FRGGOHMJDRPYSM-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2ccccc2Nc2nc(C)cc(C)n2)cc1 225918600 OROFKEASHHJPPA-UHFFFAOYSA-N 418.497 5.046 0 40 HKAB O=C(Cc1ccc(O)cc1)N1CCCC[C@H]1c1ccc(Cc2ccccc2Cl)nc1 257248652 JEPYTPSNEOLZIK-DEOSSOPVSA-N 420.940 5.328 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OCc1ccc(C)cc1 408551421 CQTBVYGPQLCANE-UHFFFAOYSA-N 423.940 6.441 0 40 HKAB COc1cccc(C(=S)NCc2ccco2)c1OCc1c(F)cccc1Cl 408575348 NXZQMGRQNRTVRG-UHFFFAOYSA-N 405.878 5.125 0 40 HKAB Cc1cc(Br)ccc1NCc1ccc(OCc2ccccc2F)cc1 408607228 JECAAHXEKDSAPW-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB O=C(O)c1cccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c1 408608382 LJOCHDHGNKJTEY-UHFFFAOYSA-N 420.267 6.022 0 40 HKAB CCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1OC 408624085 UFRUKYZGGNKTEK-UHFFFAOYSA-N 411.885 6.100 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccc(Cl)cc2)cc1 408693792 DRLIMAGZFAQGEZ-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2ccc(C)c(C)c2)cc1 408697770 JGMHSKVZVOGMJW-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB Cc1sc(Nc2c(Cl)cccc2Cl)nc1-c1ccc(Br)cc1 409060180 YCFQBWCASSGKKR-UHFFFAOYSA-N 414.155 6.931 0 40 HKAB CCc1ccccc1NCc1ccc(OCc2ccc(F)cc2)c(Br)c1 409113506 BHWCMOOVVGRASC-UHFFFAOYSA-N 414.318 6.342 0 40 HKAB CCOc1ccc(NCc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 409116908 MRIDIPOQSXUWOM-UHFFFAOYSA-N 401.481 6.569 0 40 HKAB Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1C1CC1 409123181 FKAJWNRXFZRZMW-LSCVHKIXSA-N 421.349 5.983 0 40 HKAB O=C1N/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1Cc1ccccc1 409207618 YVAOOWRJKASUHV-HYARGMPZSA-N 418.880 5.012 0 40 HKAB CC(C)(C)CCN1CCCCCOc2ccc(C(=O)O)cc2Cc2cccc(c2)C1 643575600 NODWAPJEWISMQM-UHFFFAOYSA-N 409.570 5.777 0 40 HKAB CC1CCN(C(=S)c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)CC1 637344 GQOWIXKBMYAFOM-UHFFFAOYSA-N 412.986 5.781 0 40 HKAB CN(C(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)c1ccccc1 646610 CIJXMYYYCGKFDU-UHFFFAOYSA-N 421.419 5.057 0 40 HKAB O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccc(Br)cc1 896451 WDNFJVYUCXONEQ-UHFFFAOYSA-N 412.283 5.046 0 40 HKAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCC[C@H]1C 901021 YTEYXDRXXYVWMG-ZIAGYGMSSA-N 409.477 5.044 0 40 HKAB Cc1ccc(Br)cc1SCC(=O)Nc1ccccc1Br 938569 REIURFNTJOKTKG-UHFFFAOYSA-N 415.150 5.251 0 40 HKAB COc1ccc2[nH]cc(CCN(Cc3ccc(F)cc3)Cc3ccc(F)cc3)c2c1 1283109 GEIZSCPDIWQKDG-UHFFFAOYSA-N 406.476 5.700 0 40 HKAB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2OC(=O)CCc1ccccc1 1294554 HHSXYDOROIURIP-SFCIDSGNSA-N 420.593 6.063 0 40 HKAB biogenic Cc1nc(NC(=O)CSc2nc(C(C)C)nc3sc(C)c(C)c23)sc1C 1340396 YRPAKTZIVBPKAX-UHFFFAOYSA-N 406.602 5.236 0 40 HKAB Cc1ccc(C(=O)CSc2nccn2-c2ncc(C(F)(F)F)cc2Cl)cc1 1387020 REISHSIFQJQSOX-UHFFFAOYSA-N 411.836 5.223 0 40 HKAB O=C(c1ccccc1)c1oc2ccccc2c1CS(=O)(=O)c1ccccc1Cl 1388653 VJOCMWNXVZYQDH-UHFFFAOYSA-N 410.878 5.291 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccccc1Cl 2107698 CQALUDIFTUMULQ-UHFFFAOYSA-N 413.926 6.114 0 40 HKAB CCc1cc(=O)oc2cc(OCC(=O)c3c(C)n(C)c4ccccc34)c(Cl)cc12 2114509 VHSQSCLPKOTMNY-UHFFFAOYSA-N 409.869 5.071 0 40 HKAB biogenic Nc1c(C(=O)c2cc(Cl)ccc2Cl)sc2nc(-c3cccs3)ccc12 2118372 XZAWZPVIOQJKNK-UHFFFAOYSA-N 405.331 6.145 0 40 HKAB Cc1ccc(C(=O)N2C(=O)c3ccccc3O[C@@H]2c2ccc(Br)cc2)cc1 2317029 XCBBFWKRNPWBBK-JOCHJYFZSA-N 422.278 5.131 0 40 HKAB Cc1cccc(-n2c(N)c(-c3nc4ccccc4n3C)c3nc4ccccc4nc32)c1 2353563 QZHDUTXPFKRMQI-UHFFFAOYSA-N 404.477 5.018 0 40 HKAB CC(C)c1ccc(NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 2617523 QVARYXFCGJSJCG-XMMPIXPASA-N 409.982 6.925 0 40 HKAB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)NC1CCCCCCC1 2662717 ZLNOYTJDFNHMCJ-UHFFFAOYSA-N 416.521 5.288 0 40 HKAB CCOC(=O)c1oc2ccccc2c1CSc1ncc(C(F)(F)F)cc1Cl 3303131 AFQTVKXWWJFVQW-UHFFFAOYSA-N 415.820 5.969 0 40 HKAB O=C(NCc1cccnc1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 4030210 HSJXOMZEPTVVQC-ZCWCFBJKSA-N 409.533 5.308 0 40 HKAB CC(=O)N(CC[C@]1(CCC(C)C)CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 4073835 XWMIUMVWBFLXPQ-AREMUKBSSA-N 417.634 6.224 0 40 HKAB biogenic c1ccc(C(c2ccccc2)n2c(-c3nc4ccccc4o3)nc3ccccc32)cc1 4136788 VKSZCWZXBGNOMM-UHFFFAOYSA-N 401.469 6.482 0 40 HKAB Cc1cc2nc(N(Cc3cccnc3)C(=O)c3ccc(Cl)s3)sc2cc1C 4304981 XELNPWPYXVMAHZ-UHFFFAOYSA-N 413.955 5.870 0 40 HKAB CC(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc45)=NN32)cc1 4834592 PBJNLUYKGSEFIB-LMSSTIIKSA-N 418.540 7.206 0 40 HKAB CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(CC)ccc4o3)c2)c1 4837919 AXUBKLJINZQYHF-UHFFFAOYSA-N 414.505 6.488 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)c(C)c1 5214458 XVXGFCUJURWZDB-UHFFFAOYSA-N 405.519 5.882 0 40 HKAB COC(=O)c1ccc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2c1 6145390 CLNMACBVYLEQLS-UHFFFAOYSA-N 402.884 5.203 0 40 HKAB COc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4OC[C@@H]32)cc1OC 6182300 WGKVWYHQRCSHQT-BXKMTCNYSA-N 403.503 5.680 0 40 HKAB CC(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)c3ccccc32)cc1 6405239 QXJWCMDUXFZNMV-BUVRLJJBSA-N 410.473 5.146 0 40 HKAB O=C(O)/C=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 6505468 UYTPEJYIVGTUHM-QHHAFSJGSA-N 402.071 5.433 0 40 HKAB CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccc(F)cc2)c2ccccc21 6719469 QHIKJEKWFYUUDU-XDHUDOTRSA-N 402.469 5.359 0 40 HKAB COc1cccc(N(C(=O)c2ccc(NC(C)=O)cc2)c2nc3ccccc3s2)c1 6881233 XZJVFGBIFXMKOE-UHFFFAOYSA-N 417.490 5.242 0 40 HKAB O=S(=O)(c1cc(Cl)ccc1Cl)N1CCC[C@H]1c1nc2ccccc2s1 7217398 AXZFAAMBJMEUKQ-AWEZNQCLSA-N 413.351 5.129 0 40 HKAB Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCCSc4ccccc43)cc12 7814946 LOSIJKXNAJULFM-UHFFFAOYSA-N 405.548 5.538 0 40 HKAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)c3nnc(-c4ccccc4)o3)o2)cc1 8189521 UTQMSXSWQMPOAQ-OAHLLOKOSA-N 421.526 5.486 0 40 HKAB O=C(c1csc(-c2ccccc2)n1)N1CCCC[C@H]1c1nc2ccccc2s1 8231423 MUUYQGHJHMIZLR-SFHVURJKSA-N 405.548 5.787 0 40 HKAB COc1ccc(CCNCc2ccccc2OCc2ccc(Cl)cc2)cc1OC 8493661 PCYXCBXDGFNSSA-UHFFFAOYSA-N 411.929 5.269 0 40 HKAB Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@@H](c1ccccn1)O2 10215535 PFDRBBULTUZYRC-QFBILLFUSA-N 412.312 5.148 0 40 HKAB COc1ccc(F)cc1S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccccc1 10302071 AEHSFNSDJNJVMN-UHFFFAOYSA-N 407.850 5.081 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](Nc2ccc3c(c2)OCCCO3)c2ccccc2)c1 12790093 VRGZIJMEKPDQGD-DEOSSOPVSA-N 402.494 5.257 0 40 HKAB c1ccc(CSc2nc(Sc3ccccc3)c3sc4ccccc4c3n2)cc1 12960129 MIZZMMWSABPTMZ-UHFFFAOYSA-N 416.596 7.288 0 40 HKAB Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCc2cccc(F)c2)nn1 16837389 YQCYRCFCFWKFNN-UHFFFAOYSA-N 411.502 6.146 0 40 HKAB CC(C)c1ncc(-c2nnnn2-c2ccccc2)c(-c2ccc(Cl)c(Cl)c2)n1 17241713 QEIKONHVEXBRJN-UHFFFAOYSA-N 411.296 5.217 0 40 HKAB CC(C)(C)C(=O)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19081271 NVXHZQBAYHVEMG-IBGZPJMESA-N 415.541 5.034 0 40 HKAB Cc1ccccc1C(=O)N1CCC(c2nc(C(C)(C)C)ncc2-c2ccncc2)CC1 19236757 YKEQDIILIINVJZ-UHFFFAOYSA-N 414.553 5.164 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)cc1Cl 20037467 LWIVFMMROXPECX-MRXNPFEDSA-N 414.933 5.001 0 40 HKAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCSCc1c(F)cccc1Cl 20108090 VSPKRRHKXDVOAC-IBGZPJMESA-N 409.954 5.303 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1 20144136 AGEWYCPUAPTPFT-UHFFFAOYSA-N 413.901 5.542 0 40 HKAB C=CCOc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1 20241949 WGEKCLIEATWGOJ-XQNSMLJCSA-N 400.434 5.339 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c(C)c1 20610669 BWRAVIAKKUVFPV-UHFFFAOYSA-N 414.509 5.178 0 40 HKAB O=C(CCc1cnn(-c2ccccc2)c1)N(Cc1cccs1)Cc1cccs1 24467444 KCJGAIWWUDKKKZ-UHFFFAOYSA-N 407.564 5.157 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1cc(C(F)(F)F)ccc1F 27977274 LAKIUXYZAJDHSA-UHFFFAOYSA-N 405.395 5.218 0 40 HKAB CCCOc1ccc(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCCCC2)cc1 28292435 WPWKJJDNOKWBJB-VWLOTQADSA-N 408.586 5.556 0 40 HKAB CC1=C[C@@H](CNC(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(Cc2c[nH]c3ccccc23)o1 30883002 RIBLYRBLWMJIFN-JTAQYXEDSA-N 420.601 5.537 0 40 HKAB biogenic,in-vitro Cc1ccc2[nH]c3c(SCC(=O)Nc4ccc(C(F)(F)F)cc4)ncnc3c2c1 33172581 HKXWUXSFJKECER-UHFFFAOYSA-N 416.428 5.169 0 40 HKAB CCOc1cc(CNc2cccc(Cl)c2)ccc1OCc1ccccc1Cl 33597098 DZLOVEZCHDRGSX-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@]13C 33831791 KPUDOJPVQQJLGI-CKARLABJSA-N 424.713 8.521 0 40 HKAB biogenic,in-vitro Cc1cccc(C(=O)Nc2nc(-c3ccccc3)c(NC(=O)c3ccccc3)s2)c1 35671738 BYJXDSGUWAZIHA-UHFFFAOYSA-N 413.502 5.623 0 40 HKAB COc1ccc(CNC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1OC 36709332 FAADFIJBIOKFQR-UHFFFAOYSA-N 419.506 5.302 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)COc1ccc(C(C)C)cc1Br 40942513 DYQDUURCMSURQG-UHFFFAOYSA-N 404.348 6.022 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](c1ccccc1)c1ccccc1C 44900108 WBFXLSMSJLXXRF-SXOMAYOGSA-N 409.529 6.211 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Cl)cc1 49004971 FLUUIXXAQNGHNB-GOSISDBHSA-N 408.933 5.740 0 40 HKAB COc1ccc([C@H]2SCC(O)=Nc3c2c(C)nn3C)cc1OCc1ccccc1C 49544549 JRYXYLCFPAFAJU-JOCHJYFZSA-N 423.538 5.049 0 40 HKAB O=C(/C(=C/c1ccccc1)c1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 57995964 KCPVSXNMBYCWHI-NCELDCMTSA-N 416.952 5.225 0 40 HKAB Fc1ccc(-n2ncc3c(SCc4csc(Br)c4)ncnc32)cc1 58365464 CUVXSADJSZRBON-UHFFFAOYSA-N 421.320 5.071 0 40 HKAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1ccc(OCc2c(C)noc2C)cc1 58407494 AHENDGDOLDVTEL-NRFANRHFSA-N 408.498 5.215 0 40 HKAB S=C1SCN(c2ccc(Cl)cc2Cl)CN1c1ccc(Cl)cc1Cl 59488429 JIIQZHRABKCOKG-UHFFFAOYSA-N 424.205 6.560 0 40 HKAB CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccc(F)c(Cl)c1 72328536 QVTYHQSPCUGYFK-UHFFFAOYSA-N 420.315 5.775 0 40 HKAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCc2ccccc2[C@H]1Cc1ccccc1 95441809 NXFDEKJFJIFCIK-HHHXNRCGSA-N 421.544 5.174 0 40 HKAB O=C(/C=C/c1ccccc1Cl)Nc1ccccc1Cc1nc(-c2cccnc2)no1 96356698 BIRWUIRVKNHIOX-VAWYXSNFSA-N 416.868 5.028 0 40 HKAB COc1ccc(C(=O)Nc2cccc(/C=C3\C(=O)Nc4cc(Cl)ccc43)c2)cc1 96662892 MKYGSANEYZHEJD-NDENLUEZSA-N 404.853 5.094 0 40 HKAB CCCn1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 106686945 DGZNCUYCFVTZOP-NDENLUEZSA-N 410.926 5.941 0 40 HKAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)c(Cl)c2)S1 222599487 RCLDOPKBIPWPQT-SVIJTADQSA-N 412.921 5.254 0 40 HKAB O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1Cl 222945490 PSOJYOBZZSQSGA-UHFFFAOYSA-N 408.716 5.427 0 40 HKAB CC[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2 223125351 JJMUXJIOWDGCDY-NRFANRHFSA-N 422.421 6.373 0 40 HKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1nnc(SCc2ccccc2)s1 223263690 SZFGMLYKSGHJAA-KRWDZBQOSA-N 413.568 5.243 0 40 HKAB Cc1ccc(CNC(=O)[C@@H](c2ccccc2)N(Cc2ccccc2)C(=O)C(C)C)cc1 223347734 SCDJTMHPIKGCBG-RUZDIDTESA-N 414.549 5.037 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H]2CCCc3ccccc32)c1 224106501 ZNSSDDOMLHEXKZ-LEYFIJQKSA-N 416.546 5.021 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccccc1OC 224240510 PHBYLVNGAJJDOS-UHFFFAOYSA-N 405.494 5.659 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccc(C)c(C)c1 224620767 CRHINOMPGURQFZ-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c2ccccc2O1 224710346 FQMXDCMRVJRVSW-XMMPIXPASA-N 420.597 5.731 0 40 HKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3Cl)cc2)cc1 224998464 FXOKNSLXADPIHO-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 225061344 XMTZFZDQRHGQCJ-VWLOTQADSA-N 420.597 5.102 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1Cl 225519808 IXQBBUVZOYFYCG-UHFFFAOYSA-N 424.953 5.593 0 40 HKAB Cc1cc(NC(=O)C2(c3ccccc3)CCCCC2)cc(C)c1OCc1ccccc1 225535741 QQDGNRQPIPSYNU-UHFFFAOYSA-N 413.561 6.723 0 40 HKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225711934 RTQGOWVDZJDVFU-DEOSSOPVSA-N 422.613 5.249 0 40 HKAB Cc1ccccc1-c1noc(CCC(=O)Nc2ccccc2Sc2ccccc2)n1 225816746 GLJOQXQSJSGXMF-UHFFFAOYSA-N 415.518 5.768 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Br)c(C)c1 225832613 GJWNECOYRJTGML-HXUWFJFHSA-N 402.332 5.432 0 40 HKAB COC(=O)c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 247826854 JLLPDASOZOGZIE-YJKZWKBDSA-N 402.321 6.077 0 40 HKAB CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C)C(C)C 253504123 CSVWWLUMXNHWSU-LTLRZPIRSA-N 414.718 7.881 0 40 HKAB biogenic,in-vitro CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C 253514174 FXWAFDROLPRQFL-DJZIGAAASA-N 414.674 6.382 0 40 HKAB CCC(CC)C(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2cc(C)no2)CC1 257259027 KWNCXLLNXMRMGI-UAPYVXQJSA-N 412.578 5.390 0 40 HKAB COc1ccc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)c2ccccc12 408803358 NYAWEKYKXGIKGK-UHFFFAOYSA-N 409.918 5.573 0 40 HKAB CCCc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccc(OCC)cc1 408825303 BCQBIKNFRVBVCX-UHFFFAOYSA-N 400.931 6.067 0 40 HKAB Cc1ccc(C)c(-c2nc(Nc3ccc(Cl)c(Cl)c3)sc2CC(=O)O)c1 408888566 XEYMOZVVXOMAIM-UHFFFAOYSA-N 407.322 6.104 0 40 HKAB Cc1ccc(-n2cccc2/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409071113 NIUFERXOHIRLRD-XDHOZWIPSA-N 412.276 5.190 0 40 HKAB Cc1ccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccncc2)cc1 409108704 YTPYFRKXYIJYHL-UHFFFAOYSA-N 422.941 5.462 0 40 HKAB Cc1ccc(OCc2nn(CC(=O)Nc3cc(Cl)ccc3Cl)c(=S)o2)cc1 409166199 CQRXGUGVCCTFFY-UHFFFAOYSA-N 424.309 5.039 0 40 HKAB CCCN1C(=O)S/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)C1=O 409248280 PBZZQCMDOAJTCF-HYARGMPZSA-N 421.493 6.004 0 40 HKAB CCOc1ccc(C[C@]2(C)CCc3cc(-c4cccc(C(=O)O)c4)ccc3O2)cc1 585265935 YJCGTPCLHQRHAO-SANMLTNESA-N 402.490 5.777 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 827294 JMTJIUKHQHJISO-JTQLQIEISA-N 417.214 5.004 0 40 HKAB Cc1cccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)c1C 901554 OXHVTDVVMIYTDV-UHFFFAOYSA-N 423.485 5.572 0 40 HKAB Cc1ccc2cc(CN(C(=O)Nc3ccccc3F)C3CCCC3)c(=O)[nH]c2c1C 1378335 VYWXFCUXDQYTRG-UHFFFAOYSA-N 407.489 5.261 0 40 HKAB CN(C(=O)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1)c1ccccc1 1400050 ARGQRQILNLOQOL-UHFFFAOYSA-N 421.711 5.133 0 40 HKAB CCOC(=O)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Cl)cc2)cc1 1436551 UELFZDIMCXNMKO-NRFANRHFSA-N 406.869 5.288 0 40 HKAB CCCCCc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@H]2C)cc1 1804419 HVTRLCYNKJMKMI-QFQXNSOFSA-N 412.577 7.012 0 40 HKAB Cc1cc2c(cc1C)-c1c(ss/c1=N\c1ccc(C)c(Cl)c1)C(C)(C)N2 2181948 HFYORQRSLZUFKW-ATJXCDBQSA-N 401.000 6.948 0 40 HKAB CCCn1nc(NC(=O)c2ccccc2Br)c2cc3ccccc3nc21 2207228 DGIBNUOGFKCMDY-UHFFFAOYSA-N 409.287 5.009 0 40 HKAB C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)NCCC1=CCCCC1 2626891 WGNJAVGGZXJTBD-KRWDZBQOSA-N 422.554 5.015 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc23)cc1 2766876 MFMKHJPUJWURAK-GOSISDBHSA-N 414.936 6.663 0 40 HKAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(Br)cc1 3261539 LZOFBLOMQBRFHC-UHFFFAOYSA-N 411.251 5.281 0 40 HKAB O=C(CSc1c(Cl)cccc1Cl)NC(c1ccccc1)c1ccccc1 3328193 ROMFMWKCGXDEIX-UHFFFAOYSA-N 402.346 5.991 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2cccc(C)c2C)cc1 3416211 DRQAULKMFCXTAX-WUKNDPDISA-N 407.517 6.116 0 40 HKAB Cc1cc(C)cc(NC2=C[C@@H](c3cccc(F)c3)N(c3cc(C)cc(C)c3)C2=O)c1 4628763 WTFMVOCITYXSMI-VWLOTQADSA-N 400.497 6.143 0 40 HKAB Cc1ccccc1C(OC(c1ccccc1C)c1ccccc1C)c1ccccc1C 4655718 VCZOHTFVSJUQSL-UHFFFAOYSA-N 406.569 7.816 0 40 HKAB C[C@@H](NC(=O)c1cccc2c(Br)cccc12)C12CC3CC(CC(C3)C1)C2 4657369 RDRGMFDYQJRDOW-KWJFTMPMSA-N 412.371 5.937 0 40 HKAB O=c1c2cc(Br)ccc2nc(/C=C/c2ccccc2)n1-c1ccccc1 4899229 GJYWIXISLTXXOY-SDNWHVSQSA-N 403.279 5.319 0 40 HKAB COc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c2ccccc12 5242832 GGQAQVVZGXXFLQ-INIZCTEOSA-N 415.518 5.425 0 40 HKAB Cc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 5499900 CCURQVIDEDJLLQ-JOCHJYFZSA-N 409.961 5.392 0 40 HKAB Cc1nc(S[C@H](C)C(=O)NCc2ccco2)c2cc(-c3ccccc3)sc2n1 6114409 RKUVQQQZMWGRRQ-CYBMUJFWSA-N 409.536 5.057 0 40 HKAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@@H]1C 6266015 WWXUKUSAZPUNND-LZJOCLMNSA-N 401.591 5.379 0 40 HKAB O=C(Nc1ccccc1Cc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12 6615994 ISIUKTOOZLFXPR-UHFFFAOYSA-N 415.496 6.140 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc2c(c1)nc(C)n2-c1ccccc1 8395302 DFJUBDDBSOVXGX-UHFFFAOYSA-N 405.885 5.313 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1cc(-c2ccc(Br)cc2)on1 9597811 YHWCFDSAFUAQSN-UHFFFAOYSA-N 422.076 5.119 0 40 HKAB O=C(Nc1cc(NC(=O)c2cccc(F)c2)c(Cl)cc1Cl)c1cccc(F)c1 9730600 DPMLPTZROOMSOZ-UHFFFAOYSA-N 421.230 5.776 0 40 HKAB Cc1ccc(CNCc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 10315659 ZLFFREXNTVOXPD-UHFFFAOYSA-N 409.360 6.595 0 40 HKAB C[C@H](N[C@@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1 12918874 GHBMLWWGWMINFP-IRXDYDNUSA-N 412.455 6.050 0 40 HKAB Cc1cc(CSc2ccccc2C(=O)Nc2cccc(-c3csc(C)n3)c2)on1 12980215 DEUOQZKWPUKEHY-UHFFFAOYSA-N 421.547 5.960 0 40 HKAB Cc1ccc2cc(CN(C(=O)c3ccc(Cl)cc3)C3CCCCC3)c(=O)[nH]c2c1 13514195 ZGSHWIMDEDOAJS-UHFFFAOYSA-N 408.929 5.465 0 40 HKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1OCc1ccccc1 13687434 MYSIBTZNQKVBFR-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB CCCCCOc1ccccc1C(=O)Nc1ccc(OCCOc2ccccc2)cc1 14042436 HUMSMJMIWVRXOV-UHFFFAOYSA-N 419.521 5.966 0 40 HKAB Cc1c(C(=O)N(Cc2ccco2)c2ccccn2)oc2ccc(Br)cc12 15833113 WAKALGBYBCSTOI-UHFFFAOYSA-N 411.255 5.339 0 40 HKAB Cc1ccc(-n2ncc(-c3nnnn3-c3ccccc3)c2-c2cccs2)cc1Cl 16346938 UADFFTLZQUJXOC-UHFFFAOYSA-N 418.913 5.205 0 40 HKAB C=Cc1ccc(Cn2nc(-c3cccc(OC)c3)c(C)c2-c2cccc(OC)c2)cc1 17088552 ZSWIKAOFJCECFQ-UHFFFAOYSA-N 410.517 6.234 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1C 17090464 SZBHNVCZIJBKJM-UHFFFAOYSA-N 415.990 5.320 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 17093867 SQGGFGJGIRMJTD-UHFFFAOYSA-N 424.456 5.918 0 40 HKAB O=C1c2cccc3cccc(c23)[C@@H]1C(c1ccccc1)[C@H]1C(=O)c2cccc3cccc1c23 18067417 YKIFECBUSDHHTD-UETHYEEUSA-N 424.499 7.037 0 40 HKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 20492872 RUNWTJQIOPYERE-GOSISDBHSA-N 408.542 5.279 0 40 HKAB Cc1oc2cc(OC(=O)CCCc3cccs3)ccc2c(=O)c1-c1ccccc1 21321655 FFNXPBXQALZUOK-UHFFFAOYSA-N 404.487 5.758 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1sc2cc(Cl)ccc2c1Cl 21577934 BHWHXTOGNLEKNP-UHFFFAOYSA-N 423.340 6.590 0 40 HKAB O=C(c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCC[C@H]1c1cccs1 24831885 OPQBZWJMMLVZQJ-KRWDZBQOSA-N 418.440 5.932 0 40 HKAB O=C(c1cccs1)N(Cc1ccc(OCc2ccc(F)cc2)cc1)c1ccccn1 28292977 VRJXPYVYFZOBNC-UHFFFAOYSA-N 418.493 5.708 0 40 HKAB COc1cc2sc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)nc2cc1Cl 32126442 MPOFDVWYBQFKAQ-UHFFFAOYSA-N 419.959 5.209 0 40 HKAB Fc1ccc(CNc2nc(-c3ccc(Br)cc3)cc(C(F)F)n2)cc1 36614235 AHAKLXTYUJIXCE-UHFFFAOYSA-N 408.221 5.595 0 40 HKAB Cc1cccc(C)c1NC(=O)c1ccc(COc2cccc(Br)c2)o1 40140327 GTMSELRNRRXURD-UHFFFAOYSA-N 400.272 5.490 0 40 HKAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1cccc(Cl)c1C 44835727 UBGAREKTNCRDOH-UHFFFAOYSA-N 419.333 6.176 0 40 HKAB Cn1c2c(sc1=O)[C@@H](c1c(F)cccc1Cl)CC(=O)N2c1ccc(Cl)cc1 49544954 XSDAAQPANIHGOK-GFCCVEGCSA-N 423.296 5.093 0 40 HKAB O=C(Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1ccc2c(c1)COC2 64393199 GOUVTXSWZRDMTK-UHFFFAOYSA-N 401.249 5.463 0 40 HKAB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 65322208 AQHORLJTOMVWFE-UHFFFAOYSA-N 410.949 5.338 0 40 HKAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4cccs4)cc23)c(Cl)c1 67290127 LSYZAXNQLLEGGG-UHFFFAOYSA-N 414.943 5.150 0 40 HKAB Cc1cc(-c2cnc(SCC(=O)c3ccc(F)cc3)nc2-c2cccs2)on1 72342798 MKIPTFDVEGUKOH-UHFFFAOYSA-N 411.483 5.283 0 40 HKAB Cc1cccnc1Nc1ccc([C@H]2CCCN(Cc3c(C)nn(C(C)C)c3C)C2)nc1 72353463 MAEKXJYLSHDKNJ-NRFANRHFSA-N 418.589 5.302 0 40 HKAB CCCNc1c(NC(=O)Nc2ccc(Br)cc2)c(=O)oc2ccccc12 101095176 ZAXAMJGBZGQAHK-UHFFFAOYSA-N 416.275 5.021 0 40 HKAB CC1(C)CC2=NC(Nc3nc4ccccc4o3)=N[C@@H](c3cccc(O)c3)C2=C(O)C1 102613244 JSFLMJKMJAGPIT-FQEVSTJZSA-N 402.454 5.129 0 40 HKAB Nc1ccccc1S[C@H]1CC(=O)N(c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O 104159301 MWPQUTVJKRUCHQ-FQEVSTJZSA-N 424.909 5.139 0 40 HKAB CC(C)C[C@@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 105825756 IMTMMGXRAMGUDP-HLPJKERBSA-N 424.544 5.135 0 40 HKAB CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 106715509 CYLBQCQCAUAPTF-ZDLGFXPLSA-N 422.333 6.017 0 40 HKAB CN[C@H]1CC[C@]23C[C@@]24CC[C@]2(C)[C@@H]([C@@H](C)N(C)C)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C 118936271 PLKVWYPBRRRIQG-IRHCZACHSA-N 400.695 5.964 0 40 HKAB CN1CCC(Oc2ccc(NC(=O)c3ccccc3CCc3ccccc3)cc2)CC1 219008362 KZBKOJSTOHYAFF-UHFFFAOYSA-N 414.549 5.197 0 40 HKAB CCn1c(Cl)nc2cc(C(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)ccc21 222554982 WPNXQOYSINIOAK-UHFFFAOYSA-N 414.292 5.553 0 40 HKAB C[C@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCCC2 222994144 VPQRXCTVXJRZDU-AWEZNQCLSA-N 408.394 5.983 0 40 HKAB COc1ccccc1OCCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 223423287 QVFSVROZBDTQRR-LVZFUZTISA-N 407.897 5.084 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 223432409 UAJBSOKMQMNQIY-IBGZPJMESA-N 411.851 6.034 0 40 HKAB CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 223942181 VULFQHILKSNYLN-IBGZPJMESA-N 416.587 5.050 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1 224515509 JYMKPBFLZMBQNX-XMMPIXPASA-N 408.586 5.054 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1cc(C)cc(C)c1 224530876 WACBDFNBDSZCDS-UHFFFAOYSA-N 403.522 6.150 0 40 HKAB Cc1ccc(CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225387830 VKLFBKAJOGKPEK-UHFFFAOYSA-N 406.620 6.207 0 40 HKAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1O 226243227 GUGNDSFYNGHZQR-VIFPVBQESA-N 419.102 5.176 0 40 HKAB COc1cc(N)cc(Cl)c1NC(=O)c1cccc2c(Br)cccc12 227146549 XAYJIYQSFQZYDV-UHFFFAOYSA-N 405.679 5.099 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCCN3CCCC[C@H]3C)cc2)CCCCCC1 260814668 MESYLMDKPRJZFP-OAQYLSRUSA-N 416.606 5.398 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2cccc(Cl)c2C)c1 408698750 PCVFQMVQECWJQP-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(Cl)cc2)c1 408698844 SEMOCCWUYAWTBF-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CCCc1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccc(OC)c(OC)c1 408757500 YPKKMRCTIFSGCM-UHFFFAOYSA-N 422.472 6.542 0 40 HKAB Cc1cccc(C2=N/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)C(=O)O2)c1 408983212 GFYCVMWYCQLPOX-STZFKDTASA-N 417.848 5.212 0 40 HKAB Oc1nc(-c2ccc(OCc3ccccc3)cc2)nc2sc3c(c12)CCCCC3 408992676 UPKDHWOSAJYQAQ-UHFFFAOYSA-N 402.519 5.912 0 40 HKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1CC(C)C 409089468 MLNDGDRJVPYSRB-UHFFFAOYSA-N 408.571 5.203 0 40 HKAB CCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c2ccccc21 409119717 QNBQQTKNHSTFHN-MOSHPQCFSA-N 407.872 5.965 0 40 HKAB CC(C)[C@H]1CC2(CCN(Cc3cscn3)CC2)CO[C@@H]1c1ccccc1Cl 643913172 IUYXJQYMWGNHFV-TZIWHRDSSA-N 405.007 5.813 0 40 HKAB Cc1ccc([C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 792920 VFDHDLWJAYZFPS-CQSZACIVSA-N 413.153 5.038 0 40 HKAB CC(C)Oc1ccc(CSc2nc(N)c3c4c(sc3n2)COC(C)(C)C4)cc1 1307500 QFIKMMBOJSCLHU-UHFFFAOYSA-N 415.584 5.204 0 40 HKAB Cc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)NC3CCCCC3)c2c1 2079746 GNZQGCXTELUHKZ-UHFFFAOYSA-N 406.957 6.543 0 40 HKAB CCCCc1nc2sc3c(NCCc4ccccc4)ncnc3c2c2c1CCC2 2210118 HSFJVUHRHCKEEH-UHFFFAOYSA-N 402.567 5.725 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccccc2C(C)C)cc1 2358470 IDAYLHFLONEHTQ-UHFFFAOYSA-N 414.505 5.275 0 40 HKAB Nc1c(-c2ccc(Cl)cc2)cnn1-c1nc(-c2ccc(Cl)c(Cl)c2)cs1 2505788 OHEDTOBARALWCK-UHFFFAOYSA-N 421.740 6.205 0 40 HKAB CCc1cc2c(=S)c(-c3ccccc3Cl)c(C)oc2cc1OCc1ccccc1 2667476 LCNWOCUSFMWOOV-UHFFFAOYSA-N 420.961 7.933 0 40 HKAB biogenic COc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4ccc(F)cc4)cc2-3)cc1 2689451 GMDKZDOBZYVHDP-UHFFFAOYSA-N 413.452 5.408 0 40 HKAB CCOc1ccc(NC(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)cc1 3250824 RCSQTKNXRZATKF-UHFFFAOYSA-N 414.556 5.028 0 40 HKAB O=C(CSc1nnc(NC2CCCCC2)s1)Nc1c(Cl)cccc1Cl 3285811 BUHWLYOAYUBUDP-UHFFFAOYSA-N 417.387 5.320 0 40 HKAB C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(Br)cc4F)cc3c2C1 3377198 DUPAHDILZPPUGE-NSHDSACASA-N 401.279 5.447 0 40 HKAB CCc1cccc(CC)c1NC(=O)CSCC(=O)Nc1c(CC)cccc1CC 3456986 IYWIINKVLOGPAC-UHFFFAOYSA-N 412.599 5.247 0 40 HKAB FC(F)(F)c1c(-c2ccccc2)c2cc(Cl)ccc2n1CCOc1ccccc1 4053010 CTZGGDNKZZLFCJ-UHFFFAOYSA-N 415.842 7.060 0 40 HKAB Cc1ccccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 4364795 INDVPNLGCUYICS-LHCKHCKQSA-N 408.545 6.544 0 40 HKAB C[C@@H](c1nnc(S[C@H](C)c2ccccc2Cl)n1-c1ccc(F)cc1)N(C)C 4500459 MBVKTMPUUNHYLE-UONOGXRCSA-N 404.942 5.536 0 40 HKAB COc1ccc2ccccc2c1[C@@H]1N=C(O)c2c(sc3c2CCN(C(C)C)C3)N1 4555316 XJHIDCNOMXITGT-OAQYLSRUSA-N 407.539 5.105 0 40 HKAB Cc1nn2c(C(F)(F)F)cc(-c3ccc(OC(C)C)cc3)nc2c1-c1ccccc1 4689318 ADAQMOUORGGYHO-UHFFFAOYSA-N 411.427 6.178 0 40 HKAB COc1cc2c(cc1OC)[C@H]1CCCC[C@H]1O[C@@H]2c1ccc(Br)cc1 4783756 ONNBSYIGYVFIKL-FQELHTAISA-N 403.316 5.612 0 40 HKAB CCCCCCOc1ccc(OC[C@@H](O)Cn2c(CCC)nc3ccccc32)cc1 4905074 HSWYNUVLJWEBKF-FQEVSTJZSA-N 410.558 5.388 0 40 HKAB CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNCc1ccc(C(=O)O)cc1 4942608 CQAXFWGFFLQWMP-FPNNDXFKSA-N 419.609 6.308 0 40 HKAB Cc1ccccc1NC(=O)CSc1nc(-c2ccc(F)cc2)nc2c(C)cccc12 4957069 QFDVKHMPMPOTRY-UHFFFAOYSA-N 417.509 5.784 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(Cc1ccccc1)C3=O 5560888 UWQRYMCCRWQBMA-QFIPXVFZSA-N 415.876 5.500 0 40 HKAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)N1C(=N2)C(O)=Nc2ccccc21 5695807 NTNHVODYRDDRRY-JOCHJYFZSA-N 405.461 5.422 0 40 HKAB CCCCOCCCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(C)cc2)n1 5894686 XCJMVCHTGZLJAT-UHFFFAOYSA-N 415.537 5.628 0 40 HKAB biogenic Clc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(Cl)c1 5987910 KMWULYQPDMVJQW-UHFFFAOYSA-N 412.345 6.533 0 40 HKAB CC(C)(C)c1ccc(OCCOc2ccccc2-c2nc3ccccc3c(=O)[nH]2)cc1 6323532 QJPWGHMSKQLNLR-UHFFFAOYSA-N 414.505 5.345 0 40 HKAB CCc1ccc2oc(C(=O)N(Cc3cccc(Cl)c3)Cc3ccco3)c(C)c2c1 6810706 MZGHDMGEPHOPLW-UHFFFAOYSA-N 407.897 6.393 0 40 HKAB aggregator Cc1ccc(CSc2nnc(NC(=O)CCc3c[nH]c4ccccc34)s2)cc1 6834286 KKTMGMJNJJMHQI-UHFFFAOYSA-N 408.552 5.191 0 40 HKAB Cc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1 6845129 MCRADLPRELMQIX-UHFFFAOYSA-N 413.329 6.831 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CSC1=NC2(CCCCC2)Nc2ccccc21 6902045 ASHFNEKTYMFSRS-UHFFFAOYSA-N 413.974 5.853 0 40 HKAB Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O 6963654 BAYWKWLFWBIFJZ-HYARGMPZSA-N 417.534 5.094 0 40 HKAB CCCCCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1 7260973 VTHGWSIDRFIIDW-UHFFFAOYSA-N 410.385 6.641 0 40 HKAB Cc1ccc(C(C)C)c(OCc2nn3c(CSc4ccccc4)nnc3s2)c1 8393263 LUMHMFGIWUHYPY-UHFFFAOYSA-N 410.568 5.489 0 40 HKAB COc1cc(C)c(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1OC 8763079 ZTUDGLQPPZAXDE-UHFFFAOYSA-N 416.452 5.619 0 40 HKAB CCCCOc1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc1 8769992 DKFXWGRPUSMABX-UHFFFAOYSA-N 402.907 5.681 0 40 HKAB CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)cc1 8869441 ANSMYUOQWFSJDJ-QFIPXVFZSA-N 405.494 5.317 0 40 HKAB O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc(NC(=O)c2cccs2)cc1 9592879 FXVTZCYNZCPTPQ-UHFFFAOYSA-N 419.531 5.300 0 40 HKAB Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)cc(-c2nc3ccccc3o2)c1O 10372830 AJFBBTINYXMXNH-UHFFFAOYSA-N 412.489 5.959 0 40 HKAB Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2C(F)(F)F)cc1 12311338 QOOALVDQAXWPFZ-IFMALSPDSA-N 412.386 6.087 0 40 HKAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCC[C@@H](C)C3)c2c1 12437911 FOEZDKGRHMLLDF-GOSISDBHSA-N 424.566 5.011 0 40 HKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(F)(F)F)cc2)cc1 12758169 NWJZJHDDJVTZBA-FYYLOGMGSA-N 408.423 6.256 0 40 HKAB O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccc(Br)cc1 13284040 HYUPPBCXHUNYFH-UHFFFAOYSA-N 422.735 5.019 0 40 HKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1 13615398 QZMQBUKDDIGWNH-SNVBAGLBSA-N 417.699 5.064 0 40 HKAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccs2)c(C)c1 13770649 XWZFGDMYMBVNRE-UHFFFAOYSA-N 402.519 5.362 0 40 HKAB Cc1c(C(=O)Nc2cccc(Cl)c2N2CCOCC2)oc2ccc(Cl)cc12 14126733 FRRVZARCGUVNNL-UHFFFAOYSA-N 405.281 5.137 0 40 HKAB CC(C)Nc1nn(CN2CCc3sccc3[C@@H]2c2ccccc2)c(=S)s1 14239844 DZURTYXGBYTGGQ-KRWDZBQOSA-N 402.614 5.161 0 40 HKAB Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)cs2)cc1 14242436 QOOSBPKLBRSINX-SFHVURJKSA-N 405.548 5.706 0 40 HKAB O=C(OCc1csc(-c2ccsc2)n1)c1ccc(COc2ccc(F)cc2)o1 14641774 ZXZSXYGUVOFTAY-UHFFFAOYSA-N 415.467 5.540 0 40 HKAB COc1cccc2c(NC(=O)C3CCCCC3)c(C(=O)c3ccc(Cl)cc3)oc12 15729434 LGRQIMRIGRVYKY-UHFFFAOYSA-N 411.885 5.845 0 40 HKAB biogenic CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SC/C=C/c2ccccc2)o1 15987282 YEGQVJSGHRYIDS-YGDNYVJYSA-N 403.548 5.487 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1Cl 16346752 ZFFBDBXATBPTEF-CSKARUKUSA-N 405.803 6.579 0 40 HKAB O=C(Nc1ccccc1I)c1cccc2c(Cl)cccc12 17087780 YTRFXCIGSABPRS-UHFFFAOYSA-N 407.638 5.350 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl 17090119 MZCZBKBODCTEBE-NSHDSACASA-N 414.760 6.795 0 40 HKAB COc1cccc(CN[C@H](Cc2ccsc2)c2nccs2)c1OC1CCCC1 19568182 DSRUGBOLESTRFE-LJQANCHMSA-N 414.596 5.608 0 40 HKAB Cc1nccn1-c1ccccc1CNC(=O)N1c2ccccc2Sc2ccccc21 20110552 YHRHKOJEQISHEF-UHFFFAOYSA-N 412.518 5.693 0 40 HKAB COc1ccc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC 20492267 RSSHVKQZXXHJHC-UHFFFAOYSA-N 409.507 5.014 0 40 HKAB Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)cs2)cc1 27990237 ZEPPBEAHSUYKTL-INIZCTEOSA-N 414.958 5.207 0 40 HKAB Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cc(C)c(C)cc4C)cc3)sc2c1 33169168 YLJDDIYDXNONMN-UHFFFAOYSA-N 422.575 5.998 0 40 HKAB CC1CCN(C(=S)c2cc(Br)ccc2OCc2cccc(F)c2)CC1 33859629 XUJCAIDXNJIBLJ-UHFFFAOYSA-N 422.363 5.575 0 40 HKAB O=C(c1ccccc1Cl)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 34713857 PWLRFSGCYPTTSM-OAZSGATJSA-N 406.869 5.963 0 40 HKAB COc1ccc([C@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)cc1OC(C)C 36358533 KTBJCFXHRWSEBL-OAHLLOKOSA-N 401.532 5.053 0 40 HKAB CCc1c(-c2ccc(OC)cc2)nn(-c2ccc(Cl)cc2)c1-c1ccc(OC)cc1 36611260 NFJDCHKQVOZFHV-UHFFFAOYSA-N 418.924 6.439 0 40 HKAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(OCCSc2ccccc2)cc1 38771172 WDXFNGKNFOWWII-HXUWFJFHSA-N 405.563 5.609 0 40 HKAB COc1cc(CN(C(=O)Nc2cccc(Cl)c2C)C2CC2)ccc1OC(F)F 40119909 XTURAUFMKKHKIF-UHFFFAOYSA-N 410.848 5.455 0 40 HKAB COc1ccc(-c2cnc(SC3CCCC3)n2-c2ccc(OC(F)F)cc2)cc1 44088119 JOCNBXYPFZRURH-UHFFFAOYSA-N 416.493 6.184 0 40 HKAB Fc1cccc(CSc2nnc(SCc3cccc(F)c3F)s2)c1F 57545557 OGXFOBVKJIICJS-UHFFFAOYSA-N 402.463 5.679 0 40 HKAB Cc1ccc(-c2noc(-c3nn(-c4ccccc4C)c(=O)c4ccccc34)n2)cc1C 64950212 IVNBRCLTUBIGTI-UHFFFAOYSA-N 408.461 5.028 0 40 HKAB COc1cccc(Cn2c(SCc3cc(F)ccc3F)nc3ccccc3c2=O)c1 67258791 USIWBNNSDIYONM-UHFFFAOYSA-N 424.472 5.024 0 40 HKAB Cc1cc(Br)c2oc(-c3ccc(Cl)cc3Br)nc2c1 73638159 PORQJSHEZREKEM-UHFFFAOYSA-N 401.485 5.982 0 40 HKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102636775 AIAACAPGUYHRFB-MSQSPTIYSA-N 418.968 6.418 0 40 HKAB CCc1ccc(-c2cs/c(=N/c3ccc(C)cc3)n2Cc2ccccc2Cl)cc1 102962643 JWYKLXWSEVWKCY-IMVLJIQESA-N 418.993 7.022 0 40 HKAB O=C1S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1ccccc1Cl 106684193 FVQFLRMPKBKJBC-ODLFYWEKSA-N 413.857 5.976 0 40 HKAB CCOC(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 218989917 NTIPPEJMNMSMIM-UHFFFAOYSA-N 409.869 5.348 0 40 HKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1C1CCCC1 223092966 NQYKJPQLVNJPSZ-DNQXCXABSA-N 422.642 5.920 0 40 HKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 223171181 NTSLTTJZOJGPDI-DEOSSOPVSA-N 422.613 5.465 0 40 HKAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccc(C)c(C)c1 224286213 ZDSSAHKPCYKSDT-UHFFFAOYSA-N 409.913 5.474 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccc2ccccc2c1 224314285 TYRPHKSBCNSMIL-UHFFFAOYSA-N 413.473 5.688 0 40 HKAB CC[C@H](C)Oc1c(C)cc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C 225555297 VWGBDEUYQCTWTA-IBGZPJMESA-N 413.989 6.975 0 40 HKAB O=C(N1CCS[C@H](c2cc(F)ccc2F)CC1)C1(c2cccs2)CCCC1 225743384 IXANCHHGJJTXLL-SFHVURJKSA-N 407.551 5.545 0 40 HKAB COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c(C)n1 225864084 AWVWHFNWQOLSSZ-UHFFFAOYSA-N 423.340 5.173 0 40 HKAB CCCCn1nc(-c2cc(CC(=O)O)ccc2OCC)cc1-c1ccc(Cl)cc1 257283463 OYLLFNPYNOCVKA-UHFFFAOYSA-N 412.917 5.696 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2ccccc2F)nc1-c1ccc(Cl)cc1 408698604 OMEDBHGYLHZWLV-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)cc(C)c1Cl 408705921 QHKZUENPPSAQKN-NSHDSACASA-N 417.130 5.779 0 40 HKAB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\C=C\c2ccccc2)C1=O 408804987 IDKMPERIGZFGSB-OAIAWWSRSA-N 403.571 6.297 0 40 HKAB Cc1ccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)c4sc(C)nc4C)C3)c2)cc1 1848351856 NUDBSZYKPWTNCI-LJQANCHMSA-N 420.582 5.535 0 40 HKAB Cc1ccc(N2C(=O)c3cccc4c(N5CCCCC5)ccc(c34)C2=O)c2cccnc12 1251457 ALSDWYMFIKEABT-UHFFFAOYSA-N 421.500 5.487 0 40 HKAB C[C@@H]1CCc2c(sc3nc(C4CC4)n4c(SCc5cccnc5)nnc4c23)C1 1339685 ZXVMESJFYCKVDI-GFCCVEGCSA-N 407.568 5.029 0 40 HKAB O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)cc1 1382124 HZWQDHFXJDWUSA-UHFFFAOYSA-N 404.684 5.400 0 40 HKAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1Nc1cccc(C(F)(F)F)c1 1770427 CLBMRAZXPNIRKI-UHFFFAOYSA-N 408.807 6.136 0 40 HKAB CCc1ccc(-c2cc(C(=O)Nc3nc4ccc(C)cc4s3)c3ccccc3n2)cc1 2081853 USGVDDCCNIJREX-UHFFFAOYSA-N 423.541 6.635 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CCCCCC2 2082047 DXVFNHIUWRCBIZ-UHFFFAOYSA-N 413.583 6.134 0 40 HKAB O=C(Nc1ccc(Oc2c(Cl)cccc2Cl)nc1)C(Cl)=C(Cl)Cl 2151860 XKAXMDOAPXOLJT-UHFFFAOYSA-N 412.487 6.005 0 40 HKAB Cc1ccccc1-n1nc(C)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)sc21 2377497 JNGYRQSDWFGGNX-HXUWFJFHSA-N 401.535 5.511 0 40 HKAB CCCCNc1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CCC3 2377953 NQXCFZBYYCTTRQ-UHFFFAOYSA-N 400.617 5.861 0 40 HKAB C[C@H](c1ccccc1)n1c(N)c(C(=O)OC2CCCCC2)c2nc3ccccc3nc21 2422171 FTJQIEFGVZOALQ-MRXNPFEDSA-N 414.509 5.266 0 40 HKAB Cc1ccc(-n2nnnc2-c2cnc(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 2556084 WYLQBVCUJRFWKL-UHFFFAOYSA-N 424.895 5.415 0 40 HKAB CCOc1ccc(-c2nnc3c4ccccc4n(Cc4ccccc4OC)cc2-3)cc1 2693400 GSOZGIKCLTYICW-UHFFFAOYSA-N 409.489 5.659 0 40 HKAB O=C(OCc1ccccc1F)c1ccc(COc2ccccc2Br)o1 2782372 CDSXAZVSWWRJPE-UHFFFAOYSA-N 405.219 5.117 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)Nc1ccc(Cl)c(Cl)c1 3396154 DFULIRILZVVXMI-CSKARUKUSA-N 404.272 5.587 0 40 HKAB COc1cccc(N(C(=O)C[C@H](C)c2ccccc2)c2nc3ccccc3s2)c1 3436221 FOUDEOKYOQGNSK-KRWDZBQOSA-N 402.519 6.163 0 40 HKAB Cc1cccc(OCC(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)c1 3655418 ASGJWCRLEJQZCE-UHFFFAOYSA-N 419.864 5.643 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CN1c1ccccc1F 4033453 ZAOMIHFZLGEVDJ-OJLWIZQOSA-N 411.480 5.409 0 40 HKAB COc1ccc(-n2c(SCc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 4495153 NQYHDZMGEBDVGY-UHFFFAOYSA-N 408.910 5.340 0 40 HKAB Cc1c(Cl)ccc2c(C(=O)N[C@H](C)c3ccccc3)cc(-c3cccs3)nc12 4554460 TWFBRNAQJXEJAY-OAHLLOKOSA-N 406.938 6.416 0 40 HKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)COc4cccc(C)c4C)c3)nc2c1 4703914 IFSZYYLFSHTPER-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c(O)cc1OCc1cccc(C)c1 4808729 XDVQLACCUCZQNC-UHFFFAOYSA-N 405.523 5.664 0 40 HKAB O=C(Nc1ccc(F)cc1)N1CCn2cccc2[C@H]1c1ccc(Br)cc1 4854384 UPELEOGEHPGZEZ-LJQANCHMSA-N 414.278 5.027 0 40 HKAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(C(F)(F)F)cc1 5146686 AGPHHHMOWKEJOM-UHFFFAOYSA-N 401.413 5.263 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2cccc(Cl)c2)o1 5170557 NBKCGKKKSHOFNQ-KGLIPLIRSA-N 415.946 6.023 0 40 HKAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C(=O)c1ccccc1 5638178 GZLPTXTWZWWHFE-MRXNPFEDSA-N 403.482 5.437 0 40 HKAB Cc1ccc(C)c(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 6063743 YULMDKLUQACNDE-UHFFFAOYSA-N 410.473 5.314 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc5ccccc45)c3)nc2c1 6449755 WSHJKMHURAOHFA-SFHVURJKSA-N 420.512 7.414 0 40 HKAB Cc1ccc(OCc2ccc(C(=O)Oc3ccc(-c4ccc(C)cc4)cc3)cc2)cc1 6480148 IFJOESRUDJIUEG-UHFFFAOYSA-N 408.497 6.769 0 40 HKAB O=S(=O)(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(Cl)c(Cl)c1 6549400 SHXHNIYCXPEWLO-UHFFFAOYSA-N 402.633 5.049 0 40 HKAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 7158477 FWYKFQIPAKSNKL-ZFGQVMFLSA-N 423.984 6.522 0 40 HKAB CCc1nnc(S/C(=C\c2c(-c3ccccc3)[nH]c3c(C)cccc23)C(=O)O)o1 7342623 BYUXTFKWHZFAJK-ATVHPVEESA-N 405.479 5.307 0 40 HKAB O=C1N[C@@H](c2cn(Cc3ccccc3Cl)nc2-c2ccccc2)Nc2ccccc21 8156741 CPZBWZTUOQCGGB-QHCPKHFHSA-N 414.896 5.106 0 40 HKAB COc1cc(C(=O)N(C)[C@@H](C)c2ccccc2)cc(OC)c1OCc1ccccc1 8404906 MLGJYWLSBIWABG-SFHVURJKSA-N 405.494 5.116 0 40 HKAB COc1ccc(CCNCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 8474532 MEEIKOREAIKVPJ-UHFFFAOYSA-N 416.348 5.913 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c(C)c1 8492986 VLKRZBCFJSQRRJ-OAHLLOKOSA-N 412.382 5.427 0 40 HKAB COc1ccc(-n2c(/C=C/c3ccc(Cl)cc3Cl)nc3ccccc3c2=O)cc1 8913995 MHGMJEHPXPKBOI-NTUHNPAUSA-N 423.299 5.872 0 40 HKAB O=C(Nc1ccccc1Cl)c1cn(Cc2ccccc2)nc1OCc1ccccc1 9071684 DILDPCATLWTNNE-UHFFFAOYSA-N 417.896 5.416 0 40 HKAB Cc1ccc(C)c(CSC2=NCCN2C(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 9277457 ZATGBCCTEGRRDX-UHFFFAOYSA-N 416.974 5.246 0 40 HKAB Cc1ccc([C@H](O)c2cc3c(cc2NC(=O)Nc2cccc(Cl)c2)OCCO3)cc1 9584595 VIWUMUWIHAULSZ-QFIPXVFZSA-N 424.884 5.145 0 40 HKAB CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(OCc3csc(C)n3)cc2)cc1 9585985 YGAWYCHGNZMTJR-QHCPKHFHSA-N 422.550 5.407 0 40 HKAB CCc1ccc2nc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)sc2c1 11612415 AHLIQNVNDPZZRJ-UHFFFAOYSA-N 403.551 5.220 0 40 HKAB O=c1c2cc(F)ccc2c(-c2ccc(F)cc2)nn1-c1ccc(OC(F)(F)F)cc1 12958311 TXHUIJZMDINBPU-UHFFFAOYSA-N 418.321 5.230 0 40 HKAB O=C(c1ccc(Br)cc1F)N1CCC(c2nc3ccccc3s2)CC1 12990212 RPGBHOFVMHDYEK-UHFFFAOYSA-N 419.319 5.218 0 40 HKAB COc1cc(/C=C/C(=O)N(C)Cc2cccc(Cl)c2)cc(Cl)c1OCC(C)C 13100812 VAWRLHGXSBWTJN-CMDGGOBGSA-N 422.352 5.709 0 40 HKAB N=c1oc2c(Cl)cc(Cl)cc2cc1C(=O)Nc1ccc(Br)cc1 13512274 KJZIMBQSPZUIJU-UHFFFAOYSA-N 412.070 5.234 0 40 HKAB COc1cccc([C@@H](N[C@H](c2ccccc2)c2cccc(OC)c2)c2ccccc2)c1 14001781 MJCIFWVHUKSYLK-HNRBIFIRSA-N 409.529 6.172 0 40 HKAB CCCCSc1nnc2c(n1)O[C@H](c1ccco1)N(C(=O)CCC)c1ccccc1-2 15016334 ILTJNACYTKLQOS-OAQYLSRUSA-N 424.526 5.248 0 40 HKAB O=C1C[C@H](c2cccc(Cl)c2)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15081492 JPBFGVNNBZURPG-CQSZACIVSA-N 401.846 5.380 0 40 HKAB COCCCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc(OC)cc1 15979016 WHLPOLNNHCGSEL-ATJXCDBQSA-N 423.365 5.801 0 40 HKAB COc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 16196321 KCFINTACBSAOLV-UHFFFAOYSA-N 420.311 6.010 0 40 HKAB CCCC(=O)N1N=C(c2ccc(C)c(C)c2)Sc2c1nc(CC)n2C(=O)CCC 16806956 UFDZLZGMHCXJCT-UHFFFAOYSA-N 412.559 5.103 0 40 HKAB CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 17090967 VYNYLWSEHWNIND-UHFFFAOYSA-N 417.292 6.100 0 40 HKAB COc1ccc(CC(=O)N2CCC[C@@H]2c2cc(-c3ccccc3)cc(C)n2)cc1F 19690556 PDCWDUGNKCFLJX-HSZRJFAPSA-N 404.485 5.111 0 40 HKAB COc1ccc(C(=O)N2CN(CCc3ccccc3)Cc3c2sc(C)c3C)cc1 20218825 FBGUWVVYVZERDU-UHFFFAOYSA-N 406.551 5.036 0 40 HKAB O=C(/C(=C/c1ccccc1)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 20242099 JRJHBVMDHLIFJN-USWLQZPQSA-N 408.545 5.085 0 40 HKAB CCCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccccc1Cl)C3 20391236 YPNGBMMWMFQDML-UHFFFAOYSA-N 418.320 5.795 0 40 HKAB CCCC(=O)Nc1ccc2nc(SCCOc3ccccc3Cl)sc2c1 20895173 WYYBARILHIIYMC-UHFFFAOYSA-N 406.960 5.859 0 40 HKAB COc1ccc(-c2nc(CN3CCc4sccc4[C@H]3C3CC3)cs2)cc1OC 23936537 GWVAYIUKRGMAJM-OAQYLSRUSA-N 412.580 5.398 0 40 HKAB CC(C)c1nn(CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)c(=S)n1C1CC1 26618814 DFADBFJDZADFKN-UHFFFAOYSA-N 410.509 5.513 0 40 HKAB Cc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccccc3Cl)n2)c1 33327291 BWWRMVMKSREUSD-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)c(C)c1 46079061 GQFLGZIPXNLKMS-UHFFFAOYSA-N 402.469 5.288 0 40 HKAB CCOc1ccc(-c2nc(C[S@](=O)Cc3cc(C)ccc3C)cs2)cc1OC 58130981 WHNBSECNPJGHPZ-NDEPHWFRSA-N 415.580 5.283 0 40 HKAB Cc1nn(C)c2sc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCCCC3)cc12 71818365 OOMOFYSCROSDSE-UHFFFAOYSA-N 422.476 5.205 0 40 HKAB C[C@H](Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1)c1nc2c(s1)CCCC2 78931180 IGTASZXEVPPHFH-NSHDSACASA-N 405.449 5.066 0 40 HKAB Cc1c(/C=C/c2cc3cnn(C(C)C)c3nc2Cl)nc2ccccc2c1C(=O)O 95948610 MXFBXYSSAHREQZ-CMDGGOBGSA-N 406.873 5.391 0 40 HKAB CCOc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1c1ccccc1 98086376 IPJYRGBHLYMAMK-JOCHJYFZSA-N 421.338 6.204 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCc2ccccc2F)cc1 108224473 BJLKTQBPRRLOET-NRFANRHFSA-N 424.497 5.173 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCC1(c2ccccc2)CCOCC1 222730308 DVPFCULXCWVPKR-HXUWFJFHSA-N 403.975 5.075 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1C1CCCCC1 223081844 RKUOJEKHFPWLBT-IRXDYDNUSA-N 422.417 5.211 0 40 HKAB CC(C)c1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCC3)c(Br)c1 223205669 PTKUEBLZCSFZRX-HNNXBMFYSA-N 416.359 5.317 0 40 HKAB COc1ccc(/C=C(/C(=O)NCCOc2ccc(C)cc2C)c2ccccc2)cc1 223428385 KLHVLDBLHJRJHP-HKOYGPOVSA-N 401.506 5.048 0 40 HKAB CCn1c(=O)sc2cc(NC(=O)CCCSc3ccc(Cl)cc3)ccc21 225120906 IHOZIKJPKDYMSN-UHFFFAOYSA-N 406.960 5.247 0 40 HKAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC(C)C)cc1 225334735 HADQAFYZSNRFBM-PMACEKPBSA-N 409.580 5.416 0 40 HKAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=S)Nc1ccc(Cl)cc1 225466500 YQLLXNVAMUYGRU-UHFFFAOYSA-N 414.962 5.516 0 40 HKAB O=C(Nc1ccc(OCCCN2CCCC2)cc1)C1(c2ccc(F)cc2)CCCC1 225520581 QSUUMNDHLWXXFY-UHFFFAOYSA-N 410.533 5.141 0 40 HKAB CC(C)c1ccc2oc(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)nc2c1 226295074 ZUTPXKOFWNBHCX-UHFFFAOYSA-N 412.316 7.504 0 40 HKAB Cc1ccc(COc2ccccc2CNc2ccc(Br)c(Cl)c2)cc1 408555743 IFFWOWNLRZHFGX-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2C(C)C)cc1OCC 408626147 ZJWFMQPEFWZVRR-UHFFFAOYSA-N 406.320 5.622 0 40 HKAB CCOc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2CC(=O)O)cc1 408879084 FFPUNFGYAQKKQW-UHFFFAOYSA-N 422.428 5.598 0 40 HKAB O=C(NC1CCCCCC1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409063180 IFOYWHDTUCXBKJ-UHFFFAOYSA-N 404.554 5.045 0 40 HKAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CCCOc3ccccc3Cl)c12 409197141 WVWKZUJGEVCBON-UHFFFAOYSA-N 409.835 6.071 0 40 HKAB COc1ccc(CCCc2nnc(SCc3ccccc3Cl)n2C)cc1C 409349071 UJFZWNWMKRHODT-UHFFFAOYSA-N 401.963 5.253 0 40 HKAB CCCOc1ccc(OC)cc1-c1ccc(C(=O)O)c(Cc2ccc(Cl)cc2)n1 585265577 OFXVUUWYOBEAJO-UHFFFAOYSA-N 411.885 5.488 0 40 HKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3/C=C/c3ccccc3)CC2=O)c(C)c1 585655841 JCEBEGICCQNTTE-FRFYRWIFSA-N 407.517 5.802 0 40 HKAB Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)c3ccccc3)cc(C)c2o1 585655892 GJUHDBBYBJMKKZ-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB Cc1nc(SCC(=O)c2ccc(Cl)cc2)c2c3c(sc2n1)C[C@@H](C)CC3 1375701 KXDXJTBVOJAWLE-NSHDSACASA-N 402.972 5.753 0 40 HKAB CC(C)n1c(-c2c(-c3ccc4ccccc4n3)cnc3ccccc23)nc2ccccc21 2192544 KIMRZACAEVFCPS-UHFFFAOYSA-N 414.512 7.048 0 40 HKAB Cc1ccc(C)c(-n2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)c1 2195894 JILGPJBOMWNJCI-UHFFFAOYSA-N 422.488 5.130 0 40 HKAB COc1ccc2oc(=O)c(-c3nc(-c4ccc(-c5ccccc5)cc4)cs3)cc2c1 2196892 ZFYVRGHDMMLPKI-UHFFFAOYSA-N 411.482 6.259 0 40 HKAB Cc1ccc(C)c(CSc2nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o2)c1 2264012 OZOFMCSXXMDDSS-KRWDZBQOSA-N 405.564 5.591 0 40 HKAB O=C1CCCC[C@H]1[C@@H](Nc1ccccc1I)c1ccccc1F 2270267 SPVGWJWUNDFZNC-KUHUBIRLSA-N 423.269 5.343 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c1 2385534 LMVNKWYCBZKROP-UHFFFAOYSA-N 424.456 5.918 0 40 HKAB CCC(=O)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 2444374 XFCYOSRPMDLCAT-UHFFFAOYSA-N 402.925 6.657 0 40 HKAB Cc1ccc(C(=O)N[C@@H](Nc2cccc(C(F)(F)F)c2)C(=O)c2ccccc2)cc1 2678481 NCYZIUFSMGGCOA-OAQYLSRUSA-N 412.411 5.065 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N4CCC(C)CC4)ncnc32)cc1Cl 2714894 AQTQMTPHTHHPKQ-UHFFFAOYSA-N 416.956 6.286 0 40 HKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 2748296 HOSZHCVOPWHUHI-QZTJIDSGSA-N 409.482 5.473 0 40 HKAB NC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1csc2c1CCCC2 2768833 FPKYBGHDHHYGMT-UHFFFAOYSA-N 416.955 5.360 0 40 HKAB CCc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1 3220605 WOPFXXWCASSRNB-UHFFFAOYSA-N 418.522 5.045 0 40 HKAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1cccc(Oc2ccccc2)c1 3242502 UQGJQUJYOIIGEK-UHFFFAOYSA-N 412.470 6.601 0 40 HKAB CSc1ccc(CSc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)cc1 3341655 NWTIXCVLFSKJHW-UHFFFAOYSA-N 421.566 6.147 0 40 HKAB Clc1ccccc1/C=C/c1nc2ccccc2n1Cc1c(Cl)cccc1Cl 4002817 JUTJUUIMNXKFKD-OUKQBFOZSA-N 413.735 7.215 0 40 HKAB Cc1ccc(Oc2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 4289734 HJCXIPALMYHCFC-UHFFFAOYSA-N 408.306 5.895 0 40 HKAB COc1ccccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1ccccc1 4672863 NHSCHGMIFAQUSD-RWEWTDSWSA-N 404.853 5.580 0 40 HKAB CC(=O)Nc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1 4698707 YZGJEFWXSJTTGN-UHFFFAOYSA-N 407.326 5.040 0 40 HKAB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2ccc(C(C)C)cc2)c2ccccc21 4784247 XWJHBTQKEDKNJZ-MHZLTWQESA-N 413.517 5.126 0 40 HKAB O=C(C[C@H](c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 4893660 LGMKWCSIDYDXHH-RUZDIDTESA-N 400.499 5.628 0 40 HKAB O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCS[C@H]1c1ccc(Cl)cc1 4903135 UWVFRJAEVLFDBQ-NRFANRHFSA-N 415.967 5.443 0 40 HKAB C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCC(c2nc3ccccc3s2)CC1 5090412 JRWXZOMVDUTHCX-ZDUSSCGKSA-N 417.937 5.295 0 40 HKAB c1ccc2cc(OCc3nc4ccccc4n3Cc3cccc4ccccc34)ccc2c1 5547642 CGXXKPZTTBHXCU-UHFFFAOYSA-N 414.508 6.970 0 40 HKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(OC)c(Br)c1 5949864 SREBWAJZHGVLQV-LBPRGKRZSA-N 421.360 5.098 0 40 HKAB Cc1ccccc1OCc1nnc(SCc2c(C)noc2C)n1-c1ccccc1 6039314 QTDZQCQPLYSASO-UHFFFAOYSA-N 406.511 5.052 0 40 HKAB O=C1/C(=C/Nc2cccc(C(F)(F)F)c2)c2ccccc2C(=O)N1c1ccccc1 6454572 CVODYXBHNKBITK-XSFVSMFZSA-N 408.379 5.345 0 40 HKAB Cc1nnc(S/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C(=O)O)[nH]1 6588267 SZQXDJHHUYLRJN-BKUYFWCQSA-N 417.490 5.063 0 40 HKAB O=C(Nc1ccccc1)OCCSC(=S)Nc1ccc(Cl)c(Cl)c1 6603115 IJVRXFZXIBVTPI-UHFFFAOYSA-N 401.340 5.672 0 40 HKAB CC[C@H](C)C(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccco2)c2ccccc21 6662363 NRNRYUUUBITFNB-YDHSSHFGSA-N 416.521 5.839 0 40 HKAB O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)Nc1cccc2ccccc12 7093712 QVKUGBBDBQFFPP-UHFFFAOYSA-N 404.469 5.664 0 40 HKAB C=CCOc1ccc(CN(C)c2cc(-c3ccccc3)c3ccc(OC)cc3n2)cc1 7650903 YIVHOKVNGYQCEW-UHFFFAOYSA-N 410.517 6.112 0 40 HKAB Cc1cc(C)c(NC(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)c(Cl)c1 7803521 SBWKXTUPWVSZFO-UHFFFAOYSA-N 420.896 5.125 0 40 HKAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S1 8277606 FSIDURDQSCOQDG-YBFXNURJSA-N 412.873 5.939 0 40 HKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1SC[C@H]1CCCO1 8429538 HTASOQCZSSAMRO-QGZVFWFLSA-N 411.523 5.252 0 40 HKAB Clc1ccc(OCc2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)cc1 9345255 WKHAMKDWBRDVQN-UHFFFAOYSA-N 411.701 5.392 0 40 HKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1SCc1cccs1 9416813 LPWNVVDIEKLSDU-UHFFFAOYSA-N 423.559 6.334 0 40 HKAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccccc3Cl)c2c1 9445958 YLGCAOBRDGBDAS-UHFFFAOYSA-N 421.327 7.023 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1 12792883 WEJUUMDJLFAVRJ-UHFFFAOYSA-N 403.313 5.460 0 40 HKAB Cc1cc(C(C)(C)C)cc(C)c1CN1C(=O)N[C@](C)(c2ccc3c(c2)CCC3)C1=O 13059490 PUPLLCMADGFMOW-AREMUKBSSA-N 404.554 5.057 0 40 HKAB Clc1ccc(CSc2nc3ccccc3c3nc(-c4cccnc4)nn23)cc1 13640173 SCEFHYCFQAYZGA-UHFFFAOYSA-N 403.898 5.285 0 40 HKAB CC(C)(C)NC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 13686820 NWMJHAXKLHSEGR-UHFFFAOYSA-N 417.534 6.050 0 40 HKAB COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc3oc(C)nc3c2)c1 15542576 GUBJLSSXOZNXKX-UHFFFAOYSA-N 424.460 5.250 0 40 HKAB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Cl)c(Cl)c1 17090468 QBNYBUNIRBIJHL-UHFFFAOYSA-N 416.087 6.917 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1Br 17091004 CXLFQGZMDOPSDM-HNNXBMFYSA-N 417.347 5.479 0 40 HKAB O=C(c1ccccc1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19368771 MBBUANUXKNGJKZ-HSZRJFAPSA-N 421.504 5.260 0 40 HKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)C1 20461076 YLICDWSGMAJGDR-CQSZACIVSA-N 405.311 5.072 0 40 HKAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)c1 20609980 RLIQHFFSFQVJLG-KRWDZBQOSA-N 400.482 5.159 0 40 HKAB CCOc1ccc(CCNc2ncccc2C(=O)Nc2cccc(C)c2)cc1OCC 22072433 PSIFYVRWLPDNNG-UHFFFAOYSA-N 419.525 5.094 0 40 HKAB O=C(C[C@H](c1ccc(F)cc1)c1cc(Br)ccc1O)NC1CCCCC1 27578354 ARYCPAHEZLLNMX-GOSISDBHSA-N 420.322 5.265 0 40 HKAB CCc1ccc(OCC(=O)Nc2cccc(-c3nc(-c4ccc(C)s4)no3)c2)cc1 32622275 YWKACUSVEBTPKO-UHFFFAOYSA-N 419.506 5.353 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 32753939 SVEYVKGZUOLYSD-IBGZPJMESA-N 401.510 5.388 0 40 HKAB Cc1nc2cc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4C(C)(C)C)ccc2o1 40145148 OMZLWEADDTYGAE-UHFFFAOYSA-N 403.486 5.074 0 40 HKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4c(F)cccc4F)ccc32)c1 46078695 HSRXXKWWIIMHKT-UHFFFAOYSA-N 406.432 5.119 0 40 HKAB O=C(CN1CCC[C@H]1c1ccsc1)N(CC(F)(F)F)c1ccc(Cl)cc1 48326563 WTZNXJPQQKZZAK-INIZCTEOSA-N 402.869 5.134 0 40 HKAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 71844207 LBIFKJXOAUIKIP-FCHUYYIVSA-N 414.590 5.208 0 40 HKAB O=C1c2ccccc2[C@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1CCO 85430333 KJAORDDIWGODLW-HSZRJFAPSA-N 402.881 5.026 0 40 HKAB Cc1ccc2c(-c3cc4c(CNCc5ccco5)cnc(C)c4o3)cc(=O)oc2c1 95472394 GDPWFJOFENBHTL-UHFFFAOYSA-N 400.434 5.101 0 40 HKAB CCOc1ccc(/N=c2/scc(-c3ccc(Cl)s3)n2C[C@H]2CCCO2)cc1 103370560 ICIBKWBIOXNIMU-UMIVRTMYSA-N 420.987 5.742 0 40 HKAB CCCC[C@H](CC)C[Si]1(C[C@@H](CC)CCCC)c2ccsc2-c2sccc21 201132240 MQIPWGKXFQQTLD-PMACEKPBSA-N 418.788 7.786 0 40 HKAB CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 224460882 DZHAWXSJYBYTIH-PMACEKPBSA-N 410.974 5.469 0 40 HKAB Cc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224720352 KSUJPEYYGNCAPS-QFIPXVFZSA-N 420.597 5.102 0 40 HKAB CC[C@@H]1N=C(c2cccc(C(F)(F)F)c2)c2cccn2-c2cc3c(cc21)OCCO3 225375366 KSIACTUFISBXIR-KRWDZBQOSA-N 412.411 5.569 0 40 HKAB CCOC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c1 225505960 CDIUSAWPIRVUML-QFIPXVFZSA-N 404.535 5.248 0 40 HKAB COc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C 225583104 HGSIZZPXFKUNPR-UHFFFAOYSA-N 408.325 5.306 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 245239673 LNGLEOIUQBVRRY-KMKDBZSOSA-N 400.647 6.856 0 40 HKAB COC(=O)c1ccc([C@@H]2Nc3c(Br)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 247835267 MARHLLSOLNFFJL-ZVMONYEMSA-N 412.327 5.532 0 40 HKAB CC(C)c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)on1 257278877 OEBNWTRYUXSZKB-IBGZPJMESA-N 413.905 5.398 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)ccc21 408573982 GQAUNZRXTBWHJU-NCELDCMTSA-N 416.524 6.994 0 40 HKAB S=C(NCCc1ccccc1)c1cccc(OCc2ccc(Cl)cc2Cl)c1 408577875 VEASEYHGBPYFLD-UHFFFAOYSA-N 416.373 6.080 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(F)cc2)cc1Cl 408700164 ZEWIDIRTNIYMLR-UHFFFAOYSA-N 424.838 5.427 0 40 HKAB O=C(c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCCCC1 408978881 OCRCDSJDYCTFOJ-UHFFFAOYSA-N 405.548 5.713 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccccc3Cl)C2=O)cc1Cl 409015452 RCZAFFCYDBTZOQ-FHNWIRHTSA-N 419.308 5.264 0 40 HKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccccc2)cc1 409097662 NROXMVNPMLMDKU-UHFFFAOYSA-N 401.535 5.338 0 40 HKAB CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)c2ccccc21 409114839 LNBSQZRCCNWLPA-VBKFSLOCSA-N 417.814 6.526 0 40 HKAB Cc1cccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1C 409117717 OQZAWMDAAZCASS-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1ccccc1Cl 409273583 KERLEMXVEZKREZ-UHFFFAOYSA-N 413.717 5.163 0 40 HKAB C[C@H](NC(=O)COc1ccc(-c2cccnc2)cc1Cl)c1ccc2c(c1)CCCC2 1615055810 QILZSRVLYZJNKF-KRWDZBQOSA-N 420.940 5.537 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1ccccc1F 826362 NNVAIKFYVHIFBA-UHFFFAOYSA-N 411.230 5.649 0 40 HKAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc4ccccc34)o2)cc1 976192 COQRLWMHUWZBJR-CQSZACIVSA-N 405.479 5.018 0 40 HKAB CCOc1cc(-c2nc3sc(-c4ccc(O)c(OCC)c4)nc3s2)ccc1O 1082926 UAGJGIZOCUBHLC-UHFFFAOYSA-N 414.508 5.295 0 40 HKAB Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@H](c2ccccc2)N2CCCC2)c(C)c1 1720220 SMEZXTBXLFSIDO-SVBPBHIXSA-N 413.561 6.347 0 40 HKAB Cc1cc(Oc2coc3cc(OCc4ccccc4)ccc3c2=O)cc(C)c1Cl 1775084 QHGWKDGNNNSBHQ-UHFFFAOYSA-N 406.865 6.435 0 40 HKAB CC1(C)C[C@@]23Oc4ccccc4N2C(c2ccccc2)=C[C@H](c2ccccc2)[C@H]3CO1 2273321 FVYWBKDBHKJWES-MRJKTFCFSA-N 409.529 6.235 0 40 HKAB Cc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cccc(Cl)c2)cc1 2437942 AEOSRHSRVYXKJR-RMKNXTFCSA-N 417.965 6.702 0 40 HKAB COc1ccc(NC(=O)COc2ccc(-c3nc4ccccc4s3)cc2)cc1Cl 3237256 NCBRZZCXCORLRG-UHFFFAOYSA-N 424.909 5.643 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](NCc1ccc(F)cc1)c1ccccc1 3323057 PGHFXHVOBOEDCV-HXUWFJFHSA-N 402.391 5.314 0 40 HKAB Cc1ccc(Nc2nnc(SCCCC(=O)c3ccc(F)cc3)s2)cc1C 3328925 ZMEOZVUFJLMGAI-UHFFFAOYSA-N 401.532 5.793 0 40 HKAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2ccccc2Cl)c2ccccc21 3329331 QFLULYAWOLYAOF-UHFFFAOYSA-N 403.865 5.538 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCCC3)n2C2CCCC2)cc1 3481132 QQBCCFNDVJJAHD-UHFFFAOYSA-N 412.603 5.072 0 40 HKAB CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 4031745 KUMLGHWKOUTJAG-UHFFFAOYSA-N 401.285 5.028 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 4040368 YSWDCQJTPYALJE-RAIUWEDQSA-N 404.635 6.742 0 40 HKAB biogenic COc1cc(O)c(-c2c(C)cc(OC)c3c(OC)cccc23)c2c1[C@H](C)N[C@@H](C)C2 4098020 XUFOYASAFNKRRE-GJZGRUSLSA-N 407.510 5.142 0 40 HKAB biogenic,in-vitro COc1ccc(-c2ccc(-c3cc(-c4ccccc4)nnc3-c3ccccc3)o2)cc1 4483163 ODERSBLLQNZGKB-UHFFFAOYSA-N 404.469 6.746 0 40 HKAB C[C@@H]1CC2=C(NC(=S)N[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 4498005 WTAKRSLFOYPHNB-LVCAJSQLSA-N 415.389 6.280 0 40 HKAB c1ccc(-c2csc(Nc3ccc(-c4csc(-c5ccccc5)n4)cc3)n2)cc1 4661762 HKAYQUJVPIPZET-UHFFFAOYSA-N 411.555 7.344 0 40 HKAB Cc1ccnc(N(C(=O)c2ccc3ccccc3c2)C(=O)c2ccc3ccccc3c2)c1 4710471 UJKMZLHVWVNXBX-UHFFFAOYSA-N 416.480 6.184 0 40 HKAB CCC(=O)N(CC[C@@]1(c2ccccc2)C[C@@H](C)N(C)C[C@@H]1C)Cc1ccc(OC)cc1 4785719 FWOQAZJKWCARFG-OREGWCPLSA-N 422.613 5.122 0 40 HKAB COc1ccc(-c2[nH]c(-c3ccc(C)cc3)nc2SCC(=O)NC2CCCC2)cc1 4927731 FRLHKLLAXAUVIO-UHFFFAOYSA-N 421.566 5.212 0 40 HKAB COc1ccccc1C1=NN2[C@H](C1)c1ccccc1OC21CCC(c2ccccc2)CC1 5092469 HZRALAIXMSKGTR-ZUYJMMGOSA-N 424.544 6.293 0 40 HKAB Fc1ccc(-c2nc(CSc3nnc(C4CC4)n3-c3ccccc3)cs2)cc1 6128924 CRGDLLLSZORBMT-UHFFFAOYSA-N 408.527 5.700 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nnc(SCc3ccccc3)s2)c1 6219433 PIIFJOCNVUMJCB-UHFFFAOYSA-N 413.568 5.280 0 40 HKAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)c1 6532182 OSJDFMXEXGCTGE-UHFFFAOYSA-N 417.534 5.487 0 40 HKAB O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)N[C@H]1CCCc2ccccc21 6880109 FSXIWPCJGCCLGQ-SFHVURJKSA-N 417.361 5.853 0 40 HKAB C[C@@H]1CCN(C(=O)COC(=O)c2c(Cl)cccc2Cl)c2ccccc2S1 7108706 YPEVBACAMMBAMM-GFCCVEGCSA-N 410.322 5.068 0 40 HKAB C[C@H]1CCc2sc(-c3nnc(SCc4nnc(-c5ccccc5)o4)o3)cc2C1 7129474 HBRMSEPZIUEXRH-LBPRGKRZSA-N 410.524 5.265 0 40 HKAB CCOc1cc(CNCc2ccco2)cc(Cl)c1OCc1ccc(Cl)cc1 7523667 JNCPQKOTSRHZOF-UHFFFAOYSA-N 406.309 5.854 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 7649288 JLTRQAMQKUPFNP-SFHVURJKSA-N 402.494 5.219 0 40 HKAB C[C@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)N[C@@H](C)c1ccc(F)cc1 7653008 CKUADBJTBKLAJO-RYUDHWBXSA-N 405.878 5.117 0 40 HKAB COCc1c(C(=O)Nc2ccc(N3CCCCCC3)cc2)sc2cccc(F)c12 8192985 LIQFHDLENZCWAV-UHFFFAOYSA-N 412.530 5.820 0 40 HKAB O=C(COc1ccccc1)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl 8381436 ZDBMOAKFYHYIQI-UHFFFAOYSA-N 413.260 5.819 0 40 HKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 8478420 NVLZEEIZTSQSQZ-OAQYLSRUSA-N 414.933 5.152 0 40 HKAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 8772471 BUUIZYUTLGQQCL-UHFFFAOYSA-N 416.344 5.203 0 40 HKAB C[C@@H](NC(=O)COc1ccccc1C(=O)Nc1ccccc1)c1ccc2ccccc2c1 8900162 XCVNBHNDONOPFR-LJQANCHMSA-N 424.500 5.348 0 40 HKAB Cc1ccccc1-n1c(SCC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O 9057576 UFTTUCQMKOVPBY-UHFFFAOYSA-N 420.921 5.323 0 40 HKAB S=C(c1ccccc1OCc1ccccc1)N1CCC(Cc2ccccc2)CC1 9188329 UBJSQJXCZNNIAC-UHFFFAOYSA-N 401.575 5.896 0 40 HKAB CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccs2)cc1 10215704 NCCMNHMMIKNLBL-AUSIDOKSSA-N 406.507 5.398 0 40 HKAB Cc1sc2c(c1C)c(=O)nc1n2[C@@H](CSc2nc3ccccc3s2)CS1 10383263 OKQZFUBTILDNQJ-LLVKDONJSA-N 417.606 5.124 0 40 HKAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCc4sccc4C3)cccc2c1=O 10922411 LYNJNAZVFRDFFK-UHFFFAOYSA-N 401.487 5.028 0 40 HKAB O=C(Nc1ccc(Cl)c2ncccc12)c1csc(COc2ccc(F)cc2)n1 12537601 LITYXFGYHHTZEQ-UHFFFAOYSA-N 413.861 5.315 0 40 HKAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1cc(Cl)ccc1Cl 12921532 PPRNWHSWHRJMFG-LJQANCHMSA-N 423.390 5.703 0 40 HKAB O=C(NCc1ccc(Cl)cc1Cl)N1c2ccccc2Sc2ccccc21 13717110 FGMOQUZMHUSMJP-UHFFFAOYSA-N 401.318 6.506 0 40 HKAB COc1ccc(OC)c([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)c1 13778150 GLHGQZPOQWRWTJ-AGILITTLSA-N 415.961 5.226 0 40 HKAB CCOc1ccc/c(=N\Cc2ccccc2)c2c(C)n(-c3ccc(OC)cc3)c(C)c12 13799167 GDTJDBSRTFDCIO-ZZIIXHQDSA-N 412.533 5.756 0 40 HKAB O=C(CSc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(SC(F)F)cc1 14803575 IPQHIDFFCVDXPW-UHFFFAOYSA-N 410.442 5.526 0 40 HKAB Cc1cccc(NC(=O)Cn2c3c(sc2=O)[C@@H]2C[C@@H](C)CC[C@@H]2C(C)(C)S3)c1 16754181 GDPWCXPDRURPNU-UAGQMJEPSA-N 416.612 5.261 0 40 HKAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(-c2ccccc2)cc1 17091398 UUGKMQWKKGKDTN-UHFFFAOYSA-N 418.452 5.407 0 40 HKAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3cccc(C)n3)no2)cc1OC 19236256 AMJAHYPYXMLSLZ-NRFANRHFSA-N 407.514 5.180 0 40 HKAB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@]12C 25552416 ARYTXMNEANMLMU-FAYQQKCYSA-N 402.707 7.715 0 40 HKAB Cc1c(C(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)oc2ccc(F)cc12 27662292 DRYYRAQMHKWBIV-LJQANCHMSA-N 400.881 5.101 0 40 HKAB O=C1CN(C(=O)CCC2CCCCC2)[C@@H](c2ccccc2)c2ccc(Cl)cc2N1 28048075 ZKKWEQTZNUELOR-DEOSSOPVSA-N 410.945 5.571 0 40 HKAB Cc1ccc(Nc2nc(C)c(NC(=O)C(C)(C)C)c(Nc3ccc(C)cc3)n2)cc1 28049283 RWWCTUHPAGGZMA-UHFFFAOYSA-N 403.530 5.874 0 40 HKAB Cc1nn(-c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c(C)c1Br 32611496 ZSRUTBPJGLYUCX-UHFFFAOYSA-N 404.695 5.157 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3ccccc3OCc3ccccc3)n2)cc1 33740094 VLBXNSKMHXJJRP-UHFFFAOYSA-N 416.502 5.650 0 40 HKAB Cc1oc2ncn(C3CCCCC3)c(=O)c2c1C(=O)Nc1cccc2ccccc12 35672376 APXRJVQFKJCULP-UHFFFAOYSA-N 401.466 5.209 0 40 HKAB Cc1ccc(-c2nn(Cc3cccc(Cl)c3)c(-c3ccc(C)cc3)c2Cl)cc1 36611623 QRYZZIJZAPHGOT-UHFFFAOYSA-N 407.344 7.189 0 40 HKAB O=C(Nc1ccccc1NC(=O)c1ccsc1)Nc1ccccc1C(F)(F)F 38490167 FAPAUUATVSFQIP-UHFFFAOYSA-N 405.401 5.663 0 40 HKAB CC(C)c1ccc([C@@H](NCC(=O)Nc2ccnn2C2CCCC2)c2cccs2)cc1 57286311 DKSMITHHYPTPGE-XMMPIXPASA-N 422.598 5.501 0 40 HKAB CC(=O)Nc1ccc2nc(SCC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 59497914 CIYVPCZAZFWQCN-UHFFFAOYSA-N 418.543 5.897 0 40 HKAB COc1ccc([C@]2(C)CC(C)(C)N(C(=O)CCc3ccccc3)c3ccccc32)cc1 59501076 COJPIAXSHFYGKH-NDEPHWFRSA-N 413.561 6.149 0 40 HKAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 63957361 KGKRTUHZSIEJES-UHFFFAOYSA-N 418.950 5.118 0 40 HKAB CCOc1ccc(-c2csc(Cc3nc(-c4ccc(OCC)cc4)no3)n2)cc1 65118279 BOSRVKVGUNNMSX-UHFFFAOYSA-N 407.495 5.248 0 40 HKAB Cc1c(C(=O)Nc2ccc3c(c2)OC(C)(C)O3)sc2nc(C(F)(F)F)ccc12 65492778 MRTRNSUBSPUQKL-UHFFFAOYSA-N 408.401 5.383 0 40 HKAB FC(F)Sc1ccc(Nc2nc(Cl)nc3c2cnn3-c2ccccc2)cc1 67172365 LWLZMRSNODBZIM-UHFFFAOYSA-N 403.845 5.527 0 40 HKAB CN(C)c1ccc(-n2c(SCc3ccccc3Cl)nc3ccccc3c2=O)cc1 67259079 JEYFYSCAWKHRRW-UHFFFAOYSA-N 421.953 5.397 0 40 HKAB Cc1ccc(C)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 67321524 KRYSMUHJOXJMMU-NVQXNPDNSA-N 412.489 5.317 0 40 HKAB CC(C)n1c(CNC(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2ccccc21 78821392 LXUNTYVXWIGNQC-OAHLLOKOSA-N 403.448 5.446 0 40 HKAB O=C([C@@H]1CCCc2ccccc21)N(c1ccccc1)c1ncccc1Br 89845579 AWZJTBKEQKMNHP-LJQANCHMSA-N 407.311 5.629 0 40 HKAB O=C(NCCc1ccccc1Br)OCC1c2ccccc2-c2ccccc21 98181722 CUJJCQWXAKHZSS-UHFFFAOYSA-N 422.322 5.530 0 40 HKAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3nc(-c4ccc(C(C)C)cc4)c(C)s3)C(=O)[C@@H]21 100573904 YNPHMVQAAKOGKZ-UKAVVXHISA-N 420.578 5.724 0 40 HKAB CN1[C@@H]2CC[C@@H]1CC(N(CCc1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1)C2 100932564 UEDDLRKJYMSMJY-NHCUHLMSSA-N 417.380 5.304 0 40 HKAB CCCC[C@H]1C=C[C@@H](/C=C\CCCCCCCC(=O)OCC)[C@@H](C(=O)OCC)C1 104042760 NLAFICQBKVFFEV-SRFNBEMJSA-N 406.607 6.398 0 40 HKAB O=C(NCc1ccc([C@@H](O)c2ccsc2)s1)NCc1cccc2ccccc12 207968371 GKDKVCCPBANIQU-NRFANRHFSA-N 408.548 5.044 0 40 HKAB C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(C(C)(C)C)cc1 218944645 QZDRGKNUAJMIMC-CYBMUJFWSA-N 424.766 5.656 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 219238569 UBJHGPYOOZQIBJ-AUSIDOKSSA-N 406.570 5.259 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1OCC 222598099 AXQWQKCKXFWILY-MOPGFXCFSA-N 413.558 5.561 0 40 HKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 223755976 QTWSDECGFALUTM-DHIUTWEWSA-N 420.582 5.267 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccc(Cl)cc1 224156633 FCNACQLSSKVJJD-UHFFFAOYSA-N 409.913 6.303 0 40 HKAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccc3C(=O)c3ccccc3)cc2)n1 225293538 WNYGTFKWNDJEHH-UHFFFAOYSA-N 409.489 5.032 0 40 HKAB COC(=O)c1cc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)ccc1Cl 225674819 XHSONNBPAPEUMQ-QGZVFWFLSA-N 418.946 5.024 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C(=O)OC 225755453 JHNDJTIATARMHT-UHFFFAOYSA-N 409.526 5.493 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c2ccccc12 225762006 FWFFMFCYKHQMLF-IBGZPJMESA-N 419.540 6.997 0 40 HKAB Oc1nc(-c2ccc(-c3ccccc3Br)o2)nc2ccc(Cl)cc12 253536087 HUUVUGFVGGRKLE-UHFFFAOYSA-N 401.647 5.678 0 40 HKAB Cc1cccc(C)c1NC(=O)c1sc2nc(C(F)(F)F)c3c(c2c1N)CCCC3 257173659 UKZIQECHHKJLSC-UHFFFAOYSA-N 419.472 5.645 0 40 HKAB O=C(c1nccc2ccccc12)N1CCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257251303 JQEXEYPEKAFJDJ-NRFANRHFSA-N 417.896 5.444 0 40 HKAB S=C(NCc1ccc2c(c1)OCO2)c1ccccc1OCc1ccccc1Cl 408578619 ZHGHNVXVVLWSJQ-UHFFFAOYSA-N 411.910 5.113 0 40 HKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccc(Cl)cc3Cl)cc2)c1 408613054 WZLHCWQTGLBEAZ-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB COc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc2)cc1 408628500 YEIHGSKKQSBJMG-UHFFFAOYSA-N 422.333 5.398 0 40 HKAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 408681771 SPUOZRPJCVQHNN-IBGZPJMESA-N 412.382 5.509 0 40 HKAB O=C(O)c1ccc(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCCCC5)o2)cc1 408986412 CFDKKDNGTCYQJE-UHFFFAOYSA-N 420.490 5.681 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1Cl 409020122 LZFUQJNAMYVJGA-LPXFMOJISA-N 419.905 5.893 0 40 HKAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 409041260 UIUREBSRCAPRSW-HKWRFOASSA-N 422.594 5.592 0 40 HKAB CC(C)CCN1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)[C@@H]1[C@H]3CCCC[C@H]31)C2 643567844 ZNWUKDDKALVNHQ-OXCVBPRPSA-N 423.645 5.146 0 40 HKAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)Nc1ccccc1C(F)(F)F 1775967435 RLMOQBVOVDHXIZ-AWEZNQCLSA-N 412.458 5.351 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(F)c(F)c4)sc3n2)c1 661253 AYGQLBHSQFMOEI-UHFFFAOYSA-N 411.433 5.085 0 40 HKAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c1 689270 YNELBEFJSRTEGH-UHFFFAOYSA-N 424.909 5.886 0 40 HKAB C[C@@]12C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 727016 MDZKOQLKYCEYQD-KNMGBQSGSA-N 415.492 5.627 0 40 HKAB Cc1cccc(Oc2coc3cc(OCC(=O)Nc4ccccc4C)ccc3c2=O)c1 937235 HMIWFDSOFOCMSO-UHFFFAOYSA-N 415.445 5.220 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(-c2ccc(Cl)cc2)o1 1414997 SCOXYEUAIAYVGW-UHFFFAOYSA-N 415.301 6.629 0 40 HKAB Cc1ccc([C@@H](CCCNCc2ccc3c(c2)OCO3)[C@H]2CCOC(C)(C)C2)cc1 1821335 LXJMHRPUYRUYNE-XZOQPEGZSA-N 409.570 5.583 0 40 HKAB biogenic CC(C)(C)c1ccc(C(=O)OCC(=O)c2ccc(OCc3ccccc3)cc2)cc1 1844782 KKLXWWCDADEWKI-UHFFFAOYSA-N 402.490 5.603 0 40 HKAB CCOc1ccc(-c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(=O)O)cc1 2060364 ZRMXFVCDIKBUAP-UHFFFAOYSA-N 423.534 6.062 0 40 HKAB CCCCCSc1nnc2c(n1)O[C@H](c1ccc(SC)cc1)Nc1ccccc1-2 2084680 FXJBNIXHHNZXGU-HXUWFJFHSA-N 424.595 6.046 0 40 HKAB CCCCc1nc2sc3c(N(C)CCCC)nc(SC)nc3c2c2c1CCC2 2405933 XYMVLOXUJSRGSY-UHFFFAOYSA-N 414.644 6.029 0 40 HKAB O=C(Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1)c1ccco1 2406784 UVZZXEISMLGQSE-UHFFFAOYSA-N 400.308 5.291 0 40 HKAB biogenic Clc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cccnc2)cc1 2446507 VDUUMTSSSCKCBH-VMPITWQZSA-N 404.926 5.788 0 40 HKAB COc1ccc(-c2nc(SCC(=O)Nc3ccccc3)c(-c3ccccc3)[nH]2)cc1 2687074 VIFQTTQQDFPRCA-UHFFFAOYSA-N 415.518 5.483 0 40 HKAB CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2C[C@@H]2CCCO2)cc1 2973992 ZOTCQENVWXDMTH-IBGZPJMESA-N 408.567 5.165 0 40 HKAB O=C(OCc1c(Cl)ccc(Cl)c1Cl)c1c(Cl)ccc(Cl)c1Cl 3311577 XZPQFWKUPPZSKO-UHFFFAOYSA-N 418.918 6.964 0 40 HKAB CC[C@@H]1[C@@H](c2ccccc2)O[C@](O)(c2ccccc2)[C@H](CC)[C@@]1(O)c1ccccc1 3850834 RESUPJVANKPOGK-RFNQJFSXSA-N 402.534 5.543 0 40 HKAB O=C(C1c2ccccc2Oc2ccccc21)N1CCN=C1SCc1cccc(F)c1 4119915 UKNIWAKSRGZMBR-UHFFFAOYSA-N 418.493 5.195 0 40 HKAB Cc1ccc(-c2nnc(CSc3nc(C(C)C)nc4sc(C)c(C)c34)o2)cc1 4217464 XLXKLYISZYIAHA-UHFFFAOYSA-N 410.568 6.082 0 40 HKAB aggregator O=C(Cc1cccc2ccccc12)Nc1ccc(OCc2ccccc2Cl)cc1 4615040 OLFMMCGBFZXNPA-UHFFFAOYSA-N 401.893 6.253 0 40 HKAB Cc1cccc(-c2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@@H]4c2ccccc2)c1 5149132 UOXCXKYRZANZGY-NRFANRHFSA-N 406.445 5.091 0 40 HKAB COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C)c3Nc3nc4ccccc4n32)cc1 5343243 ZMTQIUWBXQPCIF-XMMPIXPASA-N 421.504 5.542 0 40 HKAB Cc1ccc(-n2ncc3c(SCc4cccc(C(F)(F)F)c4)ncnc32)cc1 5500094 VRMPIYZQGZRCII-UHFFFAOYSA-N 400.429 5.435 0 40 HKAB COc1cc(Cl)cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1OC 5675418 NMODVUSZSAWFQN-UHFFFAOYSA-N 416.908 6.500 0 40 HKAB COc1ccc([C@@H](NC(=O)N2c3ccccc3Sc3ccccc32)C2CC2)cc1 5720585 DTEKQVUYGASVTR-QHCPKHFHSA-N 402.519 6.159 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1nnc(SCc2ccc(C)cc2)s1 6237406 GBUFYCBBYGPQSF-UHFFFAOYSA-N 405.932 5.053 0 40 HKAB CCCCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2[C@@H](C)CC)cc1 6240744 LXBLWDPMISAGGM-SFHVURJKSA-N 412.599 6.286 0 40 HKAB COc1cc(CNCCc2ccccc2)ccc1OC[C@@H](O)c1cc(C)c(C)cc1C 6650905 ZKJWZZLVBRITKR-RUZDIDTESA-N 419.565 5.065 0 40 HKAB Cc1cc(F)ccc1N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)o1 6825630 APTRYUOKCCWFES-FQEVSTJZSA-N 411.839 6.178 0 40 HKAB C[C@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)N[C@H](C)c1ccc(F)cc1 7653010 CKUADBJTBKLAJO-NEPJUHHUSA-N 405.878 5.117 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1SCc1ccccc1 7684829 GFRIBCYVHCVJEH-UHFFFAOYSA-N 411.526 7.024 0 40 HKAB Cc1c(CSc2nnc(-c3cccs3)n2C2CC2)noc1-c1ccc(F)cc1 7855493 JKBZDZAKFOIVTA-UHFFFAOYSA-N 412.515 5.736 0 40 HKAB Clc1ccccc1OCc1nnc(SCc2cscn2)n1-c1ccccc1 8192545 PARJDPXTKDUQLE-UHFFFAOYSA-N 414.943 5.249 0 40 HKAB COc1cc(NC(=O)c2cc(C)cc(C)c2)ccc1NC(=O)c1cc2ccccc2o1 8335524 LVZQLWOBAIBFQN-UHFFFAOYSA-N 414.461 5.563 0 40 HKAB COc1cccc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c1OCc1ccccc1 8534549 UEUKIKWXYJEOFH-AEXOJCPESA-N 405.582 6.113 0 40 HKAB O=C(Nc1cccc2c(NC(=O)c3ccccc3F)cccc12)c1ccccc1F 8562182 XNUCBGGOSXPIFL-UHFFFAOYSA-N 402.400 5.623 0 40 HKAB COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 8916728 TYZXFHTXVLDCKA-UHFFFAOYSA-N 423.738 5.354 0 40 HKAB CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(c1cc(C)on1)C3=O 9487054 ZXIGJOIWNRRZBW-FQEVSTJZSA-N 420.852 5.055 0 40 HKAB C[C@@H](NC(=O)CCCc1nc2ccccc2s1)c1ccc(Br)cc1 12770053 WNVPKSHSZWQUJD-CYBMUJFWSA-N 403.345 5.259 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](Nc2ccc3c(c2)OCCCO3)c2ccccc2)c1 12790102 VRGZIJMEKPDQGD-XMMPIXPASA-N 402.494 5.257 0 40 HKAB c1cncc(-c2nc(Sc3nnc(NC4CCCCC4)s3)c3ccccc3n2)c1 12971415 NKYNWDSBOKXEFT-UHFFFAOYSA-N 420.567 5.439 0 40 HKAB O=c1oc(/C=C/c2ccc(/C=C/c3nc4ccccc4c(=O)o3)cc2)nc2ccccc12 13562994 BTHYRKJWKVBDRC-WXUKJITCSA-N 420.424 5.030 0 40 HKAB COc1ccc(Nc2nc3c(c(Nc4ccc(OC)cc4)n2)C(=O)CC(C)(C)C3)cc1 13637140 RBXMXLNXKQYZRW-UHFFFAOYSA-N 418.497 5.136 0 40 HKAB Cc1ccc(-c2noc(CSc3nnc(-c4c[nH]c5ccccc45)o3)n2)cc1F 14227006 HCGPUSQNSHSTTO-UHFFFAOYSA-N 407.430 5.008 0 40 HKAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2)o1)c1ccc(-c2ccccc2)cc1 15229376 MHLFIRIWWMXTFU-KRWDZBQOSA-N 415.518 5.373 0 40 HKAB COc1ccc(Cc2nc3c4c(C)c(C)n(C5CCCCCC5)c4ncn3n2)cc1 15842416 NKGZARWVEKDVAO-UHFFFAOYSA-N 403.530 5.191 0 40 HKAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)NCCc2ccccc2)cc1 15880518 CDUAPFLQSBTRSV-UHFFFAOYSA-N 401.462 5.090 0 40 HKAB biogenic CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)cc3n2)cc1 16162114 WXWHRZRAGMOCIZ-UHFFFAOYSA-N 412.537 5.841 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(C)cc3o2)c1 17093297 XKPFHGMDQSTDIV-UHFFFAOYSA-N 422.868 5.726 0 40 HKAB Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)ccc1-c1ccc(CO)o1 20139907 XCEQDRBJRHXVBA-UHFFFAOYSA-N 407.853 5.913 0 40 HKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc(OCCC)c3)sc2c1 20411441 SXVBKYKIFLTCLI-UHFFFAOYSA-N 412.511 5.294 0 40 HKAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 20913118 BNRSLBPKYGCJRD-UHFFFAOYSA-N 410.901 5.871 0 40 HKAB Cc1cccc(N(CC(=O)c2ccc(-c3ccccc3)cc2)C2=NCCCS2)c1C 27027261 LZKULBBDOROJDL-UHFFFAOYSA-N 414.574 6.153 0 40 HKAB CC(C)n1ncc2cc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)cnc21 31496878 ZQJYGTDYFMROCH-UHFFFAOYSA-N 423.476 5.587 0 40 HKAB C[C@@H](c1ccccc1)c1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 32109930 PGZRBRVDKXUPES-SFHVURJKSA-N 414.574 5.731 0 40 HKAB CCOc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)C3CC3)cc2c1 35316003 RBECGFUDXDIZRO-UHFFFAOYSA-N 400.931 5.287 0 40 HKAB CCOc1c(Br)cc(CNc2ccc(F)cc2)cc1Br 37210545 KWQUMCWZMQXEIW-UHFFFAOYSA-N 403.089 5.362 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 38501195 ADYLTGFIHHNWRP-UHFFFAOYSA-N 421.859 5.496 0 40 HKAB CCc1cccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)c1 41076869 QEZXOCNDFUUDFC-UHFFFAOYSA-N 419.525 5.517 0 40 HKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 44841461 ZSBARKLKVXCXDC-GOSISDBHSA-N 416.345 5.340 0 40 HKAB CSc1cccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc23)c1 49005292 VASMYUCIVNLCEH-INIZCTEOSA-N 406.555 5.418 0 40 HKAB CC(C)(C)c1ccc(C(=O)OCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 51315325 MJRDOSASRITDJS-UHFFFAOYSA-N 420.387 5.290 0 40 HKAB CN(CC(=O)N1CCC[C@H]1c1cccs1)[C@@H](c1ccccc1)c1ccc(F)cc1 57758490 UUSIQWHBTMBJTG-URXFXBBRSA-N 408.542 5.272 0 40 HKAB Cc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)c1 67294834 GMWFDVPHKPEQRU-RWEWTDSWSA-N 403.869 5.583 0 40 HKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cccc(Cl)c3)oc12 67295710 PCZZFSLSHIRWSJ-RWEWTDSWSA-N 419.868 5.283 0 40 HKAB CC(C)c1cccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c1 67298014 FCAJYKJJCVXECH-FLFQWRMESA-N 405.479 5.203 0 40 HKAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1CCN(c2nc3ccccc3o2)CC1 72277185 RTWRGJPZMPDTNF-GMAHTHKFSA-N 417.553 5.229 0 40 HKAB COc1cc(C(C)=O)ccc1O[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 72305372 NATIGDWSCLOAFT-GFCCVEGCSA-N 406.360 5.107 0 40 HKAB Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4cnc(C(C)(C)C)nc4)cc3)o2)cc1 84174728 QSPDECNKECHKFX-UHFFFAOYSA-N 413.481 5.052 0 40 HKAB COCCn1c(C(=O)Nc2cccc(C)c2C)cc2c1c1ccccc1n2C(C)C 96037314 ZMOZNCSNULDXQM-UHFFFAOYSA-N 403.526 5.692 0 40 HKAB Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(N3CCCC3)c(C(F)(F)F)c2)cc1 96137274 GQNUWCWTMTXWPX-JLHYYAGUSA-N 410.461 5.027 0 40 HKAB C[C@]12CC3CC(C(=O)NC(=S)Nc4ccc(Br)cc4)(C1)C[C@](C)(C3)C2 100736598 JSDQVDJKXLHASM-QEJKFARNSA-N 421.404 5.259 0 40 HKAB COC(=O)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc1 102648716 LJQNWYNRLKRMBR-HSZRJFAPSA-N 418.493 5.286 0 40 HKAB Cc1cc(Br)ccc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 108094227 AUJKKUUEOAIXSQ-UHFFFAOYSA-N 415.139 6.531 0 40 HKAB CCSC[C@H]1CCCN1C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 206792251 AOYROIJWBMCHTC-MRXNPFEDSA-N 416.418 5.207 0 40 HKAB O=C1S/C(=C/c2cccc3ccccc23)C(=O)N1Cc1ccccc1Br 215010751 UAYIZJGWCRGRKK-XDHOZWIPSA-N 424.319 5.839 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(C(=O)O)cc4)o3)N21 222713105 VPQWQLNJPNQOEF-MAODMQOUSA-N 419.506 5.019 0 40 HKAB Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 222849406 SKKGATWQUANGPZ-NHCUHLMSSA-N 411.958 5.684 0 40 HKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)NCc4ccccc4Cl)ccc32)c1 223082087 JEUFKTZEVJYLAL-UHFFFAOYSA-N 418.924 5.171 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccc(Cl)cc1 224505577 RMKCODHBEYUVKG-UHFFFAOYSA-N 415.961 6.160 0 40 HKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225735280 KICKKGYEGFDKHT-RUZDIDTESA-N 418.622 5.357 0 40 HKAB CCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C 225870904 CHIPIEHEQWWWFB-UHFFFAOYSA-N 421.368 6.326 0 40 HKAB C[C@H](NC[C@@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 245240041 KARZSFYUDKYCEY-XWNBTUGQSA-N 401.635 5.554 0 40 HKAB CCCCO[C@]12N=C(N)S[C@@H]1C[C@@H]1[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C 253524994 RSIJHRRFYQHUQH-LNADVXPDSA-N 404.664 5.972 0 40 HKAB CCCc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 257225376 FFXPXBKLCMLNEI-UHFFFAOYSA-N 413.926 5.078 0 40 HKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2ccc(F)cc2F)C1 257233574 GPUBCZZPFWKXIC-VWPQPMDRSA-N 407.888 5.742 0 40 HKAB COc1c(C(=O)Nc2cc(Cl)ccc2C)cc2ccccc2c1Br 408619415 BXVMKXQBAJKNPL-UHFFFAOYSA-N 404.691 5.825 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3)n2)cc1Cl 408699164 RRWKWNHEFUAWCR-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408781195 ALGXBTTZLHDHBJ-QHCPKHFHSA-N 422.937 5.367 0 40 HKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1 408907793 SBFVPWQQOAELIM-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2 409336972 RQSCSMWYGHTBAE-XUEUYAKLSA-N 410.300 6.163 0 40 HKAB COc1cc(/C=C/c2ccc(Cl)cc2)c(OC)cc1/C=C/c1ccc(Cl)cc1 575435726 VYTIFGBUJJWGSD-LQIBPGRFSA-N 411.328 7.351 0 40 HKAB CC(C)CC(=O)N1CCCCCCN(C)C(=O)c2ccccc2OC[C@@H]1CC(C)C 643584355 NUFPMBSRUNMPOS-NRFANRHFSA-N 416.606 5.001 0 40 HKAB c1ccc(-c2cc(-c3ccccc3)c3c(-c4ccccc4)nn(-c4ccccc4)c3n2)cc1 1615951649 WFEOQVHPNYIWLO-UHFFFAOYSA-N 423.519 7.422 0 40 HKAB Cc1nc2ccccc2n1-c1nc(Cl)nc(N(c2ccccc2)c2ccccc2)n1 662993 HERGMZNISYIFFS-UHFFFAOYSA-N 412.884 5.642 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12 720950 OCPKLKSFUUJLEE-UHFFFAOYSA-N 424.891 5.969 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccc(C)cc3)C3CCCC3)cc2c1 924176 BYFBSXDNLDBJLL-UHFFFAOYSA-N 419.594 5.541 0 40 HKAB Nc1c(C(=O)Nc2cnc3ccccc3c2)sc2nc3c(cc12)CCCCCC3 1010370 REQBKSDJYAKBKF-UHFFFAOYSA-N 402.523 5.338 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccc(Br)c2)sc2c1CC[C@@H](C)C2 1102464 IGAXBSQFTXHZID-LLVKDONJSA-N 422.344 5.064 0 40 HKAB CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1cccs1 1223666 DJNHQGNPIDAFKD-UHFFFAOYSA-N 416.524 5.112 0 40 HKAB CCOc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)Nc1ccc(Cl)c(Cl)c1 1305253 PTIADVFNIJUGEF-ZDUSSCGKSA-N 407.341 6.716 0 40 HKAB COc1ccc2cc(CN(C(=O)C3CCC3)C3CCC(C)CC3)c(Cl)nc2c1 1339502 KQCQJZSSMPUNDO-UHFFFAOYSA-N 400.950 5.604 0 40 HKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3ccccc3C)cc2c1 1359575 VBJUGICFWLMJED-UHFFFAOYSA-N 416.546 5.357 0 40 HKAB O=C(CSc1ncc(-c2ncc(C(F)(F)F)cc2Cl)cn1)c1ccccc1 1396888 KXQBPIXYAZMDMA-UHFFFAOYSA-N 409.820 5.186 0 40 HKAB O=C(O)c1cc(-c2ccc(-c3cccc(Cl)c3Cl)o2)nc2ccc(F)cc12 1790001 QRLJTVJKSIPHTB-UHFFFAOYSA-N 402.208 6.306 0 40 HKAB O=C(O)c1cc(-c2ccc(-c3cccc(Cl)c3Cl)o2)nc2ccc(Cl)cc12 1790007 OFSDOWOQHBPTQL-UHFFFAOYSA-N 418.663 6.820 0 40 HKAB Cc1cc(C)n(-c2cc(Oc3ccc(Cl)cc3Cl)nc(-c3ccccc3)n2)n1 2182898 CKUZEJIKSFQYDW-UHFFFAOYSA-N 411.292 6.045 0 40 HKAB O=C(Nc1cccc(Cl)c1)Nc1nnc(SCc2ccc(Cl)cc2)s1 2206485 PUBAPBAURXXISI-UHFFFAOYSA-N 411.339 5.781 0 40 HKAB Cc1cccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(C(C)C)cc2)c1 2452272 SIOYQFGOQWFIAP-UHFFFAOYSA-N 420.516 5.670 0 40 HKAB O=C(COc1ccc(F)cc1Br)Nc1ccccc1Cc1ccccc1 2651094 CLICEVWLZFYQKT-UHFFFAOYSA-N 414.274 5.197 0 40 HKAB COc1ccccc1NC(=O)c1cc(-c2ccc(OC(F)F)cc2)nc2ccccc12 3237166 UTHDBLLXPARHQW-UHFFFAOYSA-N 420.415 5.764 0 40 HKAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccccc1OCc1ccccc1Cl 3274065 DBKDCAFQRIHDBZ-MOSHPQCFSA-N 407.828 5.403 0 40 HKAB COc1cccc(-c2nnc(SCCOc3ccccc3F)n2-c2ccccc2)c1 3330376 CMUPVGPRGISXGF-UHFFFAOYSA-N 421.497 5.253 0 40 HKAB O=C(OCCCc1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3339788 YLKSMMZAUZNYHW-UHFFFAOYSA-N 401.893 6.345 0 40 HKAB O=C(N[C@@H]1c2ccccc2C[C@@H]1c1ccc(O)cc1)C(c1ccccc1)c1ccccc1 3784031 ZPORBGGQIAIHNC-IXCJQBJRSA-N 419.524 5.722 0 40 HKAB CC1(C)C[C@H]([C@H](CCCNCc2ccc3c(c2)OCO3)Cc2ccccc2)CCO1 4029666 JYERWXVLRXXYAJ-DHIUTWEWSA-N 409.570 5.349 0 40 HKAB biogenic CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)c3cccc(F)c3)cc12 4059160 HAFDROVKPHHOTG-UHFFFAOYSA-N 417.436 5.474 0 40 HKAB O=C1C=C(c2ccc(Cl)cc2)O[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ccccc1 4474751 TUYMURVJLLPMBA-QFIPXVFZSA-N 406.825 5.351 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 4487843 XZFIRXHOLMLVME-UHFFFAOYSA-N 414.914 5.450 0 40 HKAB C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc(F)cc1 4791053 PVPGJSBDRSIPMT-CYBMUJFWSA-N 403.910 5.838 0 40 HKAB CCCCOC1=CC2=CC[C@H]3[C@@H]4CC[C@H](OC(=O)CC)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 4804994 PGQVFZVRQGJBEV-IXKNJLPQSA-N 400.603 6.582 0 40 HKAB Cc1cccc(C)c1NC(=O)N(c1nc2ccccc2s1)c1c(C)cccc1C 4902395 IZWHACZTLSPLNN-UHFFFAOYSA-N 401.535 6.900 0 40 HKAB CCc1cccc(CC)c1NC(=O)CN1CCC(c2nc3ccccc3s2)CC1 4966391 LPLFXLKDBQLOID-UHFFFAOYSA-N 407.583 5.239 0 40 HKAB CCOc1ccc2nc(N(CCN(C)C)C(=O)c3ccc4ccccc4c3)sc2c1 5115182 RFTNNRHTPXDKGQ-UHFFFAOYSA-N 419.550 5.057 0 40 HKAB O=c1nc(C(F)(F)F)cc(/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)[nH]1 5323129 IRIPYCDGVHZHAU-NSCUHMNNSA-N 401.171 5.526 0 40 HKAB O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccc(Cl)cc2)o1 5389119 OVDIHBMILUYURS-UHFFFAOYSA-N 414.958 5.173 0 40 HKAB CCOc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 5445423 AFUYXWMXAPRZNA-UHFFFAOYSA-N 414.555 6.894 0 40 HKAB Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@H]2c2ccc(C(C)C)cc2)cc1 5452110 UJZXFNDIVXAKAY-RUZDIDTESA-N 416.496 5.379 0 40 HKAB CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 5499954 WQPPDSSFCZISQM-UHFFFAOYSA-N 408.752 5.673 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccn2)N2CCCCC2)c1C 5721690 ZCVAGUXAOUETBP-QFIPXVFZSA-N 405.567 5.588 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(S[C@@H]3CCCCC3=O)n2Cc2ccco2)cc1 5858490 ZTMXUFYLJHRQSQ-HXUWFJFHSA-N 409.555 5.488 0 40 HKAB CCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 5874626 MRXGDCQIBWLGNN-UHFFFAOYSA-N 414.461 5.645 0 40 HKAB Cc1ccc(OCc2nc(-c3ccc(OCc4ccc(F)cc4)cc3)no2)c(C)c1 6667997 VWAYBVOQYAPWRX-UHFFFAOYSA-N 404.441 5.651 0 40 HKAB CCOc1cc(CNC2CCCCCCC2)ccc1OCc1ccccc1Cl 7523288 LVSLWGQPPPIXJY-UHFFFAOYSA-N 401.978 6.520 0 40 HKAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccc(N2CCCCCC2)cc1 8190217 KBENMNMIXLRSKK-UHFFFAOYSA-N 409.530 5.511 0 40 HKAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 8586718 IQDOLKDVKQMZQM-OAHLLOKOSA-N 404.491 5.378 0 40 HKAB COc1ccc(Oc2c(-c3ccc(OCc4ccccc4C)cc3O)n[nH]c2C)cc1 8771722 KBKZWXVUSWBONS-UHFFFAOYSA-N 416.477 5.779 0 40 HKAB Fc1cccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)c1 8836505 AROJYNWUCGYJKR-UHFFFAOYSA-N 419.257 5.537 0 40 HKAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Cl)c(Cl)c1)c1cccs1 9327671 KYHSKQFPDXDUTB-UHFFFAOYSA-N 416.285 6.081 0 40 HKAB COc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(C)cc2)cc1 9359875 RUCIRLGSLPDRGQ-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 10363793 RHBAVDRRPNQLBN-UHFFFAOYSA-N 419.952 6.440 0 40 HKAB NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(-c2nc3ccccc3s2)s1 12378207 KNMZMLSQWXQQPF-UHFFFAOYSA-N 419.487 5.122 0 40 HKAB O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N(Cc3ccc(F)cc3)C3CC3)ccc21 12568090 GOSUNJDCGXXIRL-DEOSSOPVSA-N 415.464 5.085 0 40 HKAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)CSc1ccc2ccccc2c1 12905397 KIATYDDONKAZMY-UHFFFAOYSA-N 417.534 5.419 0 40 HKAB Cc1cc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(C)n1C[C@@H]1CCCO1 12976528 YCYJEHYSLWMVDB-FQEVSTJZSA-N 421.566 5.423 0 40 HKAB Cc1cc(C(=O)CSc2nnc(-c3ccoc3)c(-c3ccoc3)n2)c(C)n1C1CC1 13570069 VXALESZVZDBSGR-UHFFFAOYSA-N 420.494 5.120 0 40 HKAB O=C(c1ccccc1CCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 13688211 XYTVZLRJPGTGER-UHFFFAOYSA-N 405.541 6.314 0 40 HKAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 13941650 QRJQKOFWVJXVAV-CQSZACIVSA-N 423.856 5.364 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 17081897 KNPGWJNCJISUSN-QGZVFWFLSA-N 400.478 6.026 0 40 HKAB Cc1ccc(C)c2sc(NC(=S)NC(=O)CC34CC5CC(CC(C5)C3)C4)nc12 17089686 OZKXUYTYCPMICT-UHFFFAOYSA-N 413.612 5.333 0 40 HKAB Cc1cccc(-c2n[nH]c(SCC(=O)N(c3ccccc3)c3ccccc3)n2)c1 19927546 CLLVJISSLPVRMU-UHFFFAOYSA-N 400.507 5.237 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc(OC)cc1 20452923 ZZQUUMBPYMTZPW-CAZPATRMSA-N 405.925 6.157 0 40 HKAB CSC1=NC2(CCN(C(=O)Nc3cccc(C)c3)CC2)N=C1c1ccc(C)c(C)c1 20578361 AKMWDMSHOOFAPU-UHFFFAOYSA-N 420.582 5.200 0 40 HKAB CCCCOc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc1 27662542 JUVRNWGJFHNPOV-OAQYLSRUSA-N 400.588 5.274 0 40 HKAB Cc1ccccc1[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 30757822 SDOIJXFBOUMSLZ-NRFANRHFSA-N 420.361 5.511 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)c(Cl)c1 30856625 FGXPRBZLKBUHBS-IBGZPJMESA-N 418.718 6.052 0 40 HKAB O=C(CCc1nc(-c2ccccc2)no1)Oc1ccc2ccccc2c1Br 32740668 XFFXJEYVTICMDN-UHFFFAOYSA-N 423.266 5.191 0 40 HKAB c1ccc(C2(c3ccccc3)O[C@H](c3ccc4c(c3)OCO4)Nc3ccccc32)cc1 34132219 SHBXZOMMCRSSCG-AREMUKBSSA-N 407.469 5.848 0 40 HKAB CC[C@H]1CCc2c(c(-c3cccc(O)c3)nc3c(-c4ccc(Cl)cc4)cnn23)C1 35325631 LTEKHBYGQXFXLK-HNNXBMFYSA-N 403.913 5.937 0 40 HKAB Cc1cc(C(=O)Nc2cccc3ccccc23)c2c(C)nn(-c3ccc(F)cc3)c2n1 36615991 FHRRORWUNMRVQC-UHFFFAOYSA-N 410.452 5.582 0 40 HKAB COc1ccc(/C=C2\C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 39243042 MDGYGSZQYJUTBN-UTRRVEPZSA-N 408.582 5.373 0 40 HKAB COc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078792 BPXHKVIBBYCCML-UHFFFAOYSA-N 420.896 5.194 0 40 HKAB Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1C 57487230 CBFVGSCFSCTGMA-UHFFFAOYSA-N 406.873 5.114 0 40 HKAB CCS(=O)(=O)Nc1cccc(-c2cc(-c3ccc(C)cc3)c3ccccc3n2)c1 58324579 FJXRQAKJJQFJNB-UHFFFAOYSA-N 402.519 5.639 0 40 HKAB Cc1oc(-c2cccs2)nc1CN1CCC[C@@H]1c1nc(-c2ccccc2F)c[nH]1 72305175 JRQMVNNRLDBFOK-LJQANCHMSA-N 408.502 5.578 0 40 HKAB O=C(O)CC1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCCCCCC1 72481788 CIACGWGSOHGIPF-UHFFFAOYSA-N 407.510 5.483 0 40 HKAB Nc1c(Br)cc2nc(-c3ccccc3Cl)oc2c1Br 73640063 LMUNHCIOICWFGF-UHFFFAOYSA-N 402.473 5.255 0 40 HKAB Cc1cccc(-n2c(SCc3ccccc3)nc3c(-c4ccccc4)c[nH]c3c2=O)c1 73686441 YBINXYXYVULREA-UHFFFAOYSA-N 423.541 5.982 0 40 HKAB COc1cccc([C@@H]2CC(c3ccccc3)=NN2C(=O)C23CC4CC(CC(C4)C2)C3)c1 89469781 IWLKNQLVYOQMBR-DFFJHKNISA-N 414.549 5.589 0 40 HKAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)C1 100640495 WWSKJQMUOLMYHS-GYCJOSAFSA-N 424.495 5.375 0 40 HKAB CC1=C[C@@H]2C=C[C@@H]1[C@@H]1[C@@H]2[C@@H]2[C@@H]1[C@@]1(C)C(=O)[C@@]2(C)C(c2ccccc2)=C1c1ccccc1 104289332 WHPKYFFPEMEUCT-JTCYQFJJSA-N 404.553 6.447 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1Cl 216473767 UEYROPOHGYALKP-ZDUSSCGKSA-N 410.297 5.193 0 40 HKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)Cc2cccc(Cl)c2)c1 222947472 KRJMJSFUBXOJFU-UHFFFAOYSA-N 402.277 5.976 0 40 HKAB Cc1ccc([C@@H](NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)c2ccccc2)c(C)c1 223150229 PFFWTGCIWRBLNG-ZBLYBZFDSA-N 413.561 5.855 0 40 HKAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccccc1SCc1ccccc1 223277928 LGBWSNPZWATLJP-UHFFFAOYSA-N 401.453 5.928 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)c1 224230917 LMPCFRVSMMBKHP-XZOQPEGZSA-N 414.534 5.010 0 40 HKAB COC(=O)c1cc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)ccc1Cl 225699988 UOIDRYOPIZSPBZ-NRFANRHFSA-N 424.953 5.511 0 40 HKAB CCOC(=O)c1cc(NC(=O)C(CC(C)C)(CC(C)C)OCC)ccc1OC(C)C 225823468 UBHZKYDCYSLSRF-UHFFFAOYSA-N 421.578 5.457 0 40 HKAB CCOc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 253497855 SDDXAJAVPWQDGV-CTDBOCAGSA-N 408.626 6.872 0 40 HKAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cc3ccccc3[nH]2)o1 257235243 GWZZYMGLUINAPE-QFIPXVFZSA-N 415.493 5.123 0 40 HKAB O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccc(F)c1 408619983 FRYUYRXQWMKVGT-UHFFFAOYSA-N 403.240 5.637 0 40 HKAB COc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1 408832076 PVEYDRSFDBDCHJ-UHFFFAOYSA-N 420.921 6.391 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1ccc3c4c(cccc14)CC3)[C@H]1Cc3ccccc3[C@H]21 408997474 GRKBUWMOWVADMQ-WYMJOSIYSA-N 417.508 6.108 0 40 HKAB CC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 409178469 JYNIPZCNPNODJE-JOCHJYFZSA-N 407.853 5.079 0 40 HKAB Fc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 409201073 UYBGNZRDBOFSGJ-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB CC[C@H](C)[C@@H](NC(=O)C[C@@H](c1ccsc1)n1cccc1)c1nc2ccccc2[nH]1 1565519552 DBCIAKGZKPKXDM-XUEUYAKLSA-N 406.555 5.309 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2cccc(-c3cccc(F)c3)n2)C1 1848355062 JPCUKTRMWRNMHS-IBGZPJMESA-N 413.496 5.318 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 1848355085 RNBNNBHKBDQPAY-LJQANCHMSA-N 413.496 5.318 0 40 HKAB COc1ccc([C@@H](NC(=O)Oc2cccc(Cl)c2)C(Cl)(Cl)Cl)cc1 675919 GHMFMXHBGARTGS-CQSZACIVSA-N 409.096 5.549 0 40 HKAB Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)c2cc3ccccc3oc2=O)cc1 1330153 CKCDZGXDKSHJGI-UHFFFAOYSA-N 401.437 5.083 0 40 HKAB CC1CCN(C(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C2CCCC2)CC1 1340068 FTYSPQCIFSRDND-UHFFFAOYSA-N 418.006 5.669 0 40 HKAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1cc2ccccc2o1 1465661 YBBJQYRRFVZQHC-UHFFFAOYSA-N 421.474 5.599 0 40 HKAB CCCCOC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1 1748318 VTUKPUJXIKJKGY-AWEZNQCLSA-N 400.858 5.224 0 40 HKAB CC(C)c1ccc(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 1777314 BFBBDEFWKJJTDH-UHFFFAOYSA-N 418.924 5.919 0 40 HKAB Clc1ccc([C@@H](Nc2ccccc2)c2nnnn2C2CCCCC2)c(Cl)c1 2065970 DVYAQYNPPABTJI-LJQANCHMSA-N 402.329 5.687 0 40 HKAB COc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccc(Br)cc32)cc1 2072270 CLDCZZQGXNGYGR-UHFFFAOYSA-N 420.310 5.200 0 40 HKAB COc1cccc(-c2nc(Oc3cc(C)c(Cl)c(C)c3)c3ccccc3n2)c1O 2221186 DKWMTLYBSSPXQK-UHFFFAOYSA-N 406.869 6.074 0 40 HKAB CC[C@@]1(C)Cc2c(sc3nc(SCc4ccccc4Cl)nc(N)c23)CO1 2221235 DMHMWCJRVFHTFI-IBGZPJMESA-N 405.976 5.461 0 40 HKAB Cc1cc2nc(-c3cccnc3Cl)n(Cc3ccc(Cl)cc3Cl)c2cc1C 3133411 JVDZQJFTCWBTPX-UHFFFAOYSA-N 416.739 6.724 0 40 HKAB CC(C)(C)c1cc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)n(-c2ccccc2)n1 3356509 OFUHYFFBYAXWDY-OUKQBFOZSA-N 413.443 5.841 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)Nc1nnc(SCc2ccc(Cl)cc2)s1 3410878 ZLJYWAJNQYYAMO-UHFFFAOYSA-N 414.943 5.146 0 40 HKAB COc1cccc(N(C(=O)C[C@@H](C)c2ccccc2)c2nc3ccccc3s2)c1 3436225 FOUDEOKYOQGNSK-QGZVFWFLSA-N 402.519 6.163 0 40 HKAB O=S(=O)(Oc1c(Cl)cc(Cl)c2cccnc12)c1cccc2ccccc12 3670109 IZPASKJEGDKDPA-UHFFFAOYSA-N 404.274 5.463 0 40 HKAB CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 4081883 JZVFJDZBLUFKCA-SRBJCREZSA-N 412.702 7.801 0 40 HKAB Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(C(F)(F)F)c2)CSC3)cc1 4176087 QAGVXXDPBWBSCT-UHFFFAOYSA-N 403.429 5.199 0 40 HKAB O=C(Nc1c(C(=O)Nc2ccccc2Cl)cnn1-c1ccccc1)c1ccccc1 4673145 VJJDEDGFRNDKMW-UHFFFAOYSA-N 416.868 5.030 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)c3ccccc3)C3CCCCC3)cc2c1 6233134 AXQWMHRFUUPYEO-UHFFFAOYSA-N 406.957 6.480 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccccc2F)c1 6372860 UFBLKZJUCSUDNB-UHFFFAOYSA-N 402.347 5.349 0 40 HKAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1 6515689 FIBQSFIWJLMIKR-UHFFFAOYSA-N 422.550 5.062 0 40 HKAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(C3CC3)n(-c3ccccc3)n2)c(C)c1 6549769 FADBUWIXDZMMGE-QGZVFWFLSA-N 406.555 5.189 0 40 HKAB CCc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)cc1 6732807 ZPEIMHOKQRSTPL-FQEVSTJZSA-N 416.502 5.179 0 40 HKAB COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1cccc(C)c1)oc1ccccc12 6886714 PZGWHNGFJSTBKD-OAHLLOKOSA-N 403.434 5.087 0 40 HKAB CC(C)Oc1ccccc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)[nH]1)C(=O)O 7603317 XQVKHAGOZKEZPP-BOPFTXTBSA-N 415.902 5.130 0 40 HKAB Cc1cc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccco2)no1 7834735 JWAQVZSWMMRKSF-UHFFFAOYSA-N 408.527 5.473 0 40 HKAB CC[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccc(Br)cc1 7987426 QYEVVUANKXOZRZ-SFHVURJKSA-N 415.356 5.383 0 40 HKAB Cc1ccc(OCCSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)cc1 8026356 SBPALGNBTMTSRJ-UHFFFAOYSA-N 405.498 5.553 0 40 HKAB COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1 8471496 FMEHSZGUCJPVRN-UHFFFAOYSA-N 420.940 5.741 0 40 HKAB COc1cccc(Oc2cn[nH]c2-c2ccc(OCc3ccc(C)cc3)cc2O)c1 8739668 GXOVBEASOJWVMU-UHFFFAOYSA-N 402.450 5.471 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1 8809366 CPULHVCDZYHXQO-UHFFFAOYSA-N 424.294 5.006 0 40 HKAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(OC(C)C)cc3)ccc21 8959004 GIUZPIROBCNIHA-UHFFFAOYSA-N 424.541 5.134 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccco2)Cc2sccc2C)ccc1Cl 9204568 FBTBMAMWRLXCRW-INIZCTEOSA-N 403.931 5.608 0 40 HKAB Cc1ccc2nc(Cl)c([C@H]3CC(c4cccs4)=NN3C(=O)c3ccco3)cc2c1 9428218 ISTXGHVDUCHNHB-GOSISDBHSA-N 421.909 5.843 0 40 HKAB CCOC(=O)c1sc(-c2cccc(OC)c2)cc1NC(=O)c1ccccc1Cl 9943178 XMABGZZTSUILEE-UHFFFAOYSA-N 415.898 5.506 0 40 HKAB CC(C)COc1cccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c1 10120115 LLDLEGYRLNTLQD-UHFFFAOYSA-N 400.478 5.706 0 40 HKAB CCN(CC)CCN(C(=O)c1ccc2ccccc2c1)c1nc2ccc(F)cc2s1 11612416 JIJNOIUCEUUHFU-UHFFFAOYSA-N 421.541 5.577 0 40 HKAB COc1cccc(Nc2nc(-c3ccc(CNC(=O)C(C)(C)C)s3)cs2)c1 12549212 NAWAKYWVXQBQRF-UHFFFAOYSA-N 401.557 5.286 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnc(C3CCCCC3)o2)o1 13164546 IYIFIIKZFYNZKW-UHFFFAOYSA-N 423.498 5.423 0 40 HKAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(F)cc1 13512011 BBXLXSIDXZPMEU-UHFFFAOYSA-N 422.485 5.014 0 40 HKAB Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1ccccc1)O2 13770940 IIBBTTLBJOBAGV-AUSIDOKSSA-N 404.853 5.311 0 40 HKAB C[C@@H]1C[C@@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)Cc1ccccc1 17094048 IEFDTMLPNKVZHH-FQRUVTKNSA-N 424.544 5.539 0 40 HKAB Cc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)c(Br)c1 19174142 CQERNZJAPLJKMA-UHFFFAOYSA-N 424.385 5.254 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 20048341 UYQFLOVFPYLNMP-UHFFFAOYSA-N 422.550 5.346 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cccc2c(O)cccc12 21595480 SFYHPGBPFUOWPR-FYWRMAATSA-N 414.486 5.332 0 40 HKAB COc1ccc(-c2noc(-c3ccccc3NC(=O)Cc3ccc(Cl)cc3)n2)cc1 22462167 OTWRWHWBGAYOQT-UHFFFAOYSA-N 419.868 5.247 0 40 HKAB COc1ccc(NC(=O)c2ccc(CN(Cc3ccco3)CC(F)(F)F)cc2)cc1 23866996 BQAXGURXMWOEMK-UHFFFAOYSA-N 418.415 5.105 0 40 HKAB Cc1c(Cl)cccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccccc1 28527601 KDMGVQZPXGIPOE-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB Cc1ccc(-c2noc(CSc3ccc(-c4ccc(CC(C)C)cc4)nn3)n2)cc1 33022191 LJBKQNHZEXSYTJ-UHFFFAOYSA-N 416.550 5.993 0 40 HKAB CC(C)CNC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 36359099 VMDFZCHFOMYZQM-JOCHJYFZSA-N 408.517 5.045 0 40 HKAB Clc1ccc(Cn2cc(CNCCCn3ccnc3)c3ccccc32)c(Cl)c1 39279946 HNQPHNNSLGNAIQ-UHFFFAOYSA-N 413.352 5.373 0 40 HKAB CCc1ccc(Cl)c(CC)c1NC(=O)N(Cc1ccc(C(=O)NC)cc1)C1CC1 43388949 VNNSAYASHWCQOE-UHFFFAOYSA-N 413.949 5.021 0 40 HKAB COc1ccc([C@H](C)NC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1F 43980875 VEKCKMHLPDLZPA-ZDUSSCGKSA-N 413.474 5.031 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(Br)cc1 44903379 UAVIYCOGLUCTMG-UHFFFAOYSA-N 405.144 5.628 0 40 HKAB CCc1ccc([C@H](NCC(=O)Nc2c(C)cc(C)cc2Cl)c2cccs2)cc1 57460470 SAZVDDQKWSLGLB-QHCPKHFHSA-N 412.986 5.898 0 40 HKAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@H](c3ccccc3Cl)N1CC2 57731780 AUPYCRWVGHSIEF-ZEQRLZLVSA-N 406.913 5.429 0 40 HKAB CC(C)(C)c1cc(C(=O)N2c3ccccc3Sc3ccccc32)cc(C(C)(C)C)c1 67192375 BZQZHRIZUHSNFE-UHFFFAOYSA-N 415.602 7.725 0 40 HKAB COc1ccc2cc([C@H]3CC(c4ccccc4Cl)=NN3C(C)=O)c(Cl)nc2c1 71924224 ZAFUTXPDYAZCQJ-HXUWFJFHSA-N 414.292 5.248 0 40 HKAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 84502176 LVXQEAPJRWUFND-HZPDHXFCSA-N 403.429 5.296 0 40 HKAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@H](c4ccccc4Cl)C3=C(O)C2)cc1 102580437 LDPJLRYJLMAJGF-LHSJRXKWSA-N 406.873 5.005 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](C)SCc2ccccc2)sc2c1CCCC2 103795361 IKZKAVPOJGQDAV-CQSZACIVSA-N 403.569 5.064 0 40 HKAB c1ccc(/N=c2/n(-c3ccccc3)nc(Nc3ccccc3)n2-c2ccccc2)cc1 104173178 STYFIGFBSHZRBK-BYCLXTJYSA-N 403.489 5.639 0 40 HKAB C1=C(c2ccccc2)N=C(c2ccccc2)[C@@H]2[C@@H](c3ccccc3)N2[C@@H]1c1ccccc1 104188763 XBVYAFOZBSKPOK-VXVSQYONSA-N 412.536 6.697 0 40 HKAB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccccc2F)C1=O 106695943 UKJKSKGNEGKJHK-HMAPJEAMSA-N 421.493 6.004 0 40 HKAB CCOc1cccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1 106700322 VRYTZMLZOICCDR-MFOYZWKCSA-N 408.306 5.629 0 40 HKAB CC(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 118916198 ZONPAOQEAXCIKO-XQYCAIHJSA-N 422.653 6.568 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=O)CSCc1ccccc1F)c1ccccc1 222701408 OMVRTGXBPNECJP-QGZVFWFLSA-N 422.525 5.189 0 40 HKAB C[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc2c(c1)CCC2 223205941 FOWGZBKWKBQAMI-OAHLLOKOSA-N 424.338 5.347 0 40 HKAB Cc1cc(O[C@H](C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)cc(C)c1Cl 224139498 QFUBFSXDMHMWDT-QGZVFWFLSA-N 403.950 5.217 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Cl)cc3C)o2)cc1 224908708 MWQMJWYJPVSQQJ-UHFFFAOYSA-N 418.880 6.231 0 40 HKAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(C(C)(C)C)cc1Br 224962610 BKIDZWUPYXBICI-CQSZACIVSA-N 420.347 5.011 0 40 HKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)NC1CCCCC1 224971858 DDHUBMJTWWZRTK-UHFFFAOYSA-N 412.533 5.597 0 40 HKAB CC(C)Oc1cccc(CCCNC(=O)c2cc(Br)ccc2Cl)c1 225074143 ANDYRWDIYVXMBZ-UHFFFAOYSA-N 410.739 5.252 0 40 HKAB CCOC(=O)c1cc(NC(=S)NCCCSCc2ccccc2)ccc1Cl 225598660 MKSHSLUBVCHYEM-UHFFFAOYSA-N 423.003 5.127 0 40 HKAB Cc1cc(C)c2oc(-c3cc(Br)c[n+](Cc4ccccc4F)c3)nc2c1 226308088 SIGIMHKAFWIWGC-UHFFFAOYSA-N 412.282 5.349 0 40 HKAB O=C(c1ccc(-c2cccs2)cc1)N1CC[C@@H](Oc2cccc3cccnc23)C1 244986099 JFVAVNMHWQTAGN-HXUWFJFHSA-N 400.503 5.257 0 40 HKAB CC(C)c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)on1 257309759 UCHCWHIUAWZGPG-IBGZPJMESA-N 413.905 5.398 0 40 HKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(C(C)C)cc2)c1Cl 408621236 KTYIUKSZUHRDGI-UHFFFAOYSA-N 400.733 6.405 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4c(C)cccc4C)C3)cc2)cc1 408642045 NGVQMGCGCYIDDN-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)cc2)c1 408642933 PTTYCRGOTIAVMC-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3)nc2-c2ccc(C)cc2)cc1 408694280 IIBJHYWHHURSPR-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB Cc1cccc(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3C)n2)c1 408723972 BJKZQMPVRBJRDT-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 408735131 JXBHYZXYNOOFBD-FPMFRTRJSA-N 413.904 5.085 0 40 HKAB COc1ccc(Br)c2c1-c1nc(Nc3ccc(F)cc3)sc1CC2 408889528 DSOWSJRLSGPFTA-UHFFFAOYSA-N 405.292 5.563 0 40 HKAB Fc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 409097232 LUFHOHSZKWOVIQ-UHFFFAOYSA-N 409.917 6.062 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(F)c1 409180669 ZAHJGTYGHDFUQM-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB O=C1S/C(=C/c2ccc(Sc3ccccc3)cc2)C(=O)N1c1cccc(Cl)c1 409207961 ACOXXBBMAYIWEP-DEDYPNTBSA-N 423.946 6.732 0 40 HKAB CCCN1C(=O)S/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)C1=O 409354038 XCBOEFSNMRDISS-WOJGMQOQSA-N 405.878 5.504 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]21)c1ccccc1 409371074 FUZDSBWXKCJNRZ-CIMSBJEKSA-N 417.508 5.749 0 40 HKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccc(C)c(C)c3)cc2Cl)c(C)c1 409375756 OXIONOZZEURVLH-UHFFFAOYSA-N 422.956 6.203 0 40 HKAB COc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1C 409376614 BTOBKAJTKFJPQC-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB Cc1ccc(Cl)cc1N1C(=O)N(CC2CCCCC2)c2ccccc2S1(=O)=O 1889124975 UVUDJIQVNRMATI-UHFFFAOYSA-N 418.946 5.364 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)s1 673059 RQIMXSNRTFRCPY-UHFFFAOYSA-N 402.475 5.295 0 40 HKAB O=C(Nc1ccc(NC(=O)c2ccccc2Br)cc1)c1cccs1 1092714 MPVBJFLEMZQPAU-UHFFFAOYSA-N 401.285 5.015 0 40 HKAB O=C(O)c1ccc(-c2ccc(C=C3SC(=S)N(Cc4ccccc4)C3=O)o2)cc1 1198347 AEZGRQSLKVNPCI-UHFFFAOYSA-N 421.499 5.046 0 40 HKAB Clc1ccc(CSCc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1 1392342 BIXCEWYWIKYWPG-UHFFFAOYSA-N 411.958 5.067 0 40 HKAB Nc1c(-c2cccs2)cnn1-c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1393562 LPGLFCABRKJDNP-UHFFFAOYSA-N 400.532 5.974 0 40 HKAB COc1cc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)ccc1OCc1ccccc1 1805034 MHVRVZIPMHXTKO-QFIPXVFZSA-N 420.534 5.069 0 40 HKAB CC(C)Oc1ccc(CNCC[C@@H](c2ccccc2)c2ccc(OC(C)C)cc2)cc1 1898690 WHJQRCMYEWBSAD-NDEPHWFRSA-N 417.593 6.573 0 40 HKAB biogenic CCCCc1cc(=O)oc2c(C)c(OCc3cc4c(cc3Cl)OCO4)ccc12 1902814 BIXGQXNMIAHWPN-UHFFFAOYSA-N 400.858 5.405 0 40 HKAB O=C(NC1CCCCCC1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2084489 QJPRQJAMIBVEOH-UHFFFAOYSA-N 413.348 6.661 0 40 HKAB O=C(NCc1ccc(Cl)cc1)c1cccc(COc2cc(Cl)ccc2Cl)c1 2087500 BIHANUHEEPRMNV-UHFFFAOYSA-N 420.723 6.156 0 40 HKAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3c(Cl)cccc3Cl)ccc12 2096398 VABZZWKIGAEJJB-UHFFFAOYSA-N 421.276 5.313 0 40 HKAB biogenic Clc1ccc(-c2nc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn3n2)cc1 2225792 VEVISWLFBJRYAQ-UHFFFAOYSA-N 415.671 5.090 0 40 HKAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccccc1 2265532 QOAGYTJZVXSXHX-OUTSHDOLSA-N 408.482 5.892 0 40 HKAB Cc1cc(C)cc(Cc2cc3cc(-c4ccc(Br)cc4)cn3cc2C)c1 2300568 NBIKCZVOWHYSKC-UHFFFAOYSA-N 404.351 6.885 0 40 HKAB COc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4C)c3s2)cc1Cl 2401610 CJKJMJJZVHBLNS-UHFFFAOYSA-N 411.914 5.618 0 40 HKAB CC(C)(C)OC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 2414637 AOMMLMXWSRXIRW-UHFFFAOYSA-N 420.383 5.199 0 40 HKAB biogenic O=C(CSc1ncnc2c1oc1ccccc12)Nc1cc(Cl)ccc1Cl 2439931 HOCUHWUUXIFHAJ-UHFFFAOYSA-N 404.278 5.414 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1cccc(Cl)c1 2441274 IVBWVKZYACZDHL-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB COc1ccc(-c2cnn(-c3nc(-c4ccc(Cl)cc4Cl)cs3)c2N)cc1 2513381 HEMLQEFSFTZOKC-UHFFFAOYSA-N 417.321 5.560 0 40 HKAB O=C(c1cnc(N2CCCC2)s1)c1sc2cc(Cl)cc(Cl)c2c1Cl 2624773 DKGOVOPECAGHQL-UHFFFAOYSA-N 417.770 6.149 0 40 HKAB COc1ccc(C(C)=O)cc1COC(=O)c1cc(-c2cccs2)nc2ccccc12 2629933 XMAZSWWBOOBTRR-UHFFFAOYSA-N 417.486 5.532 0 40 HKAB CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 3293278 OZWGZAKQGAXMEZ-KRWDZBQOSA-N 422.598 5.232 0 40 HKAB CC[C@@H](C)n1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCCC3 3313513 DQPXHVWCTGVCOG-CQSZACIVSA-N 412.580 5.283 0 40 HKAB C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3)cc(O)c2C(=O)O1 4029671 XGARDKDPHAIINK-VQANOXKBSA-N 408.494 5.453 0 40 HKAB c1ccc(CSc2nc3ccccc3o2)c(CSc2nc3ccccc3o2)c1 4568139 PLRXQNXQIOSSPZ-UHFFFAOYSA-N 404.516 6.554 0 40 HKAB Fc1ccc(C2=NN3[C@H](c4ccc(OC(F)F)cc4)Oc4ccccc4[C@H]3C2)cc1 4624233 RDTHNYVLAMQGSM-IRLDBZIGSA-N 410.395 5.669 0 40 HKAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3n2)cc1 5198654 NQZALYLTLTYNKR-UHFFFAOYSA-N 404.473 5.648 0 40 HKAB O=C(Nc1cccc(NC(=O)NC2CCCCCCC2)c1)NC1CCCCCCC1 5512499 PMUKDTYNCVPZDC-UHFFFAOYSA-N 414.594 6.155 0 40 HKAB COc1ccc(Oc2nc(SCc3ccccc3Cl)nc3c2CCCC3)cc1 5720545 GBXHEZRWPACPAB-UHFFFAOYSA-N 412.942 6.102 0 40 HKAB COc1ccccc1CNC[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 6050081 LOJGETLPSBIKHH-KCHLEUMXSA-N 405.626 6.619 0 40 HKAB CCn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1cccs1 8266241 KAOWBTZKYCQLTP-HXUWFJFHSA-N 405.548 5.743 0 40 HKAB CCn1c(SCc2nnc(-c3cccc(C)c3)o2)nnc1-c1ccc(Cl)cc1 8523040 VOMDNJGBELVSDR-UHFFFAOYSA-N 411.918 5.269 0 40 HKAB CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)C1=O 9236557 KSXLZONAFJZZAG-GZTJUZNOSA-N 418.312 5.084 0 40 HKAB C[C@H](c1ccc(-c2ccccc2)c(F)c1)c1nn2c(-c3ccncc3)nnc2s1 9486213 QVIYDZXMBMUJIG-CQSZACIVSA-N 401.470 5.206 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)cc(=O)c2c1 9660172 ZSKIRGAYPQSECP-UHFFFAOYSA-N 411.501 6.318 0 40 HKAB biogenic CCOc1ccc([C@H]2CCCN2C(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 10220112 UWKVIRCDABXLPT-XMMPIXPASA-N 420.509 5.246 0 40 HKAB CCOc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OCc1ccccc1 10315377 RDOSSTQIEQQMDP-UHFFFAOYSA-N 423.900 5.099 0 40 HKAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1sc2cc(F)ccc2c1Cl 12787222 HWKCXTOVHCPVGT-KRWDZBQOSA-N 402.922 5.261 0 40 HKAB CC(C)(C)c1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)c(Br)c1 12843351 LRTPAYDYOXPNQS-UHFFFAOYSA-N 421.722 6.029 0 40 HKAB CCN(C(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCCCC2)c1cccc2ccccc12 13073395 XDLHVCAFNYRRDC-QGZVFWFLSA-N 421.562 5.769 0 40 HKAB Cc1cc(C(F)(F)F)nc(SCc2nc(-c3ccc(C(F)(F)F)cc3)no2)n1 13643475 UKVVYYXFIZAKGS-UHFFFAOYSA-N 420.338 5.165 0 40 HKAB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1ccc(-c2ccccc2)cc1 13674883 KDSRMDNGVKHMRH-UHFFFAOYSA-N 411.476 6.002 0 40 HKAB COc1cc([C@@H]2O[C@@H]3CCCC[C@@H]3c3sccc32)ccc1OCc1ccccc1 15023744 HKUBQVLWDXNOTL-LEEZEASISA-N 406.547 6.482 0 40 HKAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1nc(-c2ccncc2)cs1 15885445 FHSRVRIFTXJVTF-UHFFFAOYSA-N 414.701 5.183 0 40 HKAB C[C@H](CCCNC(=O)Nc1cccc(Cl)c1)CNC(=O)Nc1cccc(Cl)c1 16576272 VLVAJGMDBONIDS-CQSZACIVSA-N 423.344 5.353 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(-c3cc(C)cc(C)c3)nc2c1 17093075 RHOGHRMYKQLJOT-UHFFFAOYSA-N 422.484 6.526 0 40 HKAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCSCc3ccc(Cl)cc3)cc2)C1 20455627 RHKQMEGZCTWPJU-GOSISDBHSA-N 417.018 5.235 0 40 HKAB CCCc1nc2ccc(NS(=O)(=O)c3cc(C(C)C)ccc3OC)cc2s1 22255220 DOYYCOKJCQZZPU-UHFFFAOYSA-N 404.557 5.182 0 40 HKAB Clc1ccc(-c2noc(CN(Cc3ccc4c(c3)OCO4)C3CCCC3)n2)cc1 27236048 YREXRLJXQIOKHR-UHFFFAOYSA-N 411.889 5.064 0 40 HKAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cccc(Cl)c1Cl 32818802 FNTDPAVGBXXFFG-GOSISDBHSA-N 400.309 5.046 0 40 HKAB O=C(NCc1ccco1)c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c12 36618493 ZASKWXGCNOUYLD-UHFFFAOYSA-N 413.408 5.219 0 40 HKAB COc1c(Br)cc(Br)cc1CNc1cc(Cl)ccc1C 37184661 NXLKMUQSYYHZHC-UHFFFAOYSA-N 419.544 5.794 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1Cl 46078988 BZCYKCCOXJGBTJ-UHFFFAOYSA-N 422.887 5.633 0 40 HKAB O=C(CCc1ncc(-c2ccccc2Cl)o1)N(Cc1ccccc1)c1ccccn1 48353829 VLKXERYUSPFXNL-UHFFFAOYSA-N 417.896 5.556 0 40 HKAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(Oc2ccccc2)cc1 51364468 BHHTVFWMPPFECG-HSZRJFAPSA-N 422.484 5.637 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(NC(=O)c2ccccc2)cc1 59477583 QCBPVQRUEZMQED-FBMGVBCBSA-N 408.457 5.851 0 40 HKAB CC(=O)N(C)c1ccc(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)s2)cc1 65475600 ILWFHXVSQNTTLF-UHFFFAOYSA-N 419.333 5.957 0 40 HKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2ccnc3ccccc23)cs1 65562860 NIRSHTFSHZQJRM-UHFFFAOYSA-N 419.575 6.285 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2Cl)cc1 67297671 YYRYYZMNJQXCEX-VYIQYICTSA-N 422.843 5.719 0 40 HKAB Cc1nc(-c2ccco2)nc2sc(C(=O)Nc3ccc(F)c(F)c3F)c(C)c12 71794341 VEHIMQHMYDJRKR-UHFFFAOYSA-N 403.385 5.238 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(-c2cnc3n2CCC3)c1 90607219 RCLZGJFWTZFVJM-UHFFFAOYSA-N 418.884 5.365 0 40 HKAB CN(CC[C@H](Oc1cccc2ccccc12)c1cccs1)C(=O)Oc1ccccc1 118052535 OSNZKJGSXFMSCS-QHCPKHFHSA-N 417.530 6.542 0 40 HKAB in-vitro Cc1cc(C)cc(NC(=O)/C(=C/c2cccnc2Cl)C(=O)Nc2ccccc2)c1 215737713 PHCHYQYUFJDOIG-XSFVSMFZSA-N 405.885 5.013 0 40 HKAB O=C(c1cc(Br)cs1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219329498 XFWOQCYKEOXLNT-CQSZACIVSA-N 418.328 5.109 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 219339296 JYGPMUKJIGMGEB-YADHBBJMSA-N 403.522 5.724 0 40 HKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(Cl)c(C)c3)N21 222710078 MFTIKJBZPYVITI-WQTXXOFMSA-N 422.985 5.814 0 40 HKAB COc1ccccc1[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 222900864 JPIYIPDHQROTCA-HNNXBMFYSA-N 421.368 5.091 0 40 HKAB CCOC(=O)c1cc(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)ccc1Cl 222936404 SRQHXSMZCIGPEZ-HXUWFJFHSA-N 417.933 5.610 0 40 HKAB COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1cccc(Cl)c1 224152621 DOKFDHGDXPIJSA-UHFFFAOYSA-N 401.934 5.770 0 40 HKAB Nc1c(-c2c(Cl)cccc2Cl)c(C(F)(F)F)nn1-c1cccc(Cl)c1 225180916 QATLOPNXQNCESI-UHFFFAOYSA-N 406.622 6.101 0 40 HKAB CCc1nc2ccc(NC(=S)NCCNc3cc(C)nc4ccccc34)cc2s1 225229350 GORZUAICJHMSEU-UHFFFAOYSA-N 421.595 5.114 0 40 HKAB CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2 248240585 BLQIUYJCPHQGEL-CODVICPNSA-N 416.348 6.467 0 40 HKAB CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 255222140 JZVFJDZBLUFKCA-DWNRDSMASA-N 412.702 7.801 0 40 HKAB biogenic CC(C)c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)on1 257290318 QCKFVXGBJHEGCR-MRXNPFEDSA-N 413.905 5.050 0 40 HKAB CCOc1cc(C)c([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc1OCC 260769231 KOJLVYBJRGFKBO-WQTXXOFMSA-N 411.571 5.167 0 40 HKAB CCOc1cc(C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(C)cc1 408552515 JEGKJAWHRZGXQT-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB S=C(NCCc1ccccc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408574959 NFLTUQIBMXFJLY-UHFFFAOYSA-N 416.373 6.080 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 408695264 OYZJVWHTUCXDRM-UHFFFAOYSA-N 410.811 5.118 0 40 HKAB CCOC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cc(Cl)c(Cl)cc1Cl 682551 RSIAPRXHHBRYCX-SNVBAGLBSA-N 416.688 5.230 0 40 HKAB Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 900884 ZAZDFAJAGBAUDB-AWEZNQCLSA-N 417.456 5.590 0 40 HKAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(Cl)c(Cl)c1 949592 LWMAVUSDBRXXOO-UHFFFAOYSA-N 419.264 5.249 0 40 HKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccc(Cl)c(C)c1 1262546 ZLLQYZYHBYBOAT-UHFFFAOYSA-N 422.868 5.483 0 40 HKAB COc1ccc(Sc2nc(SCc3ccc(Cl)cc3)ncc2OC)cc1 1388507 CJAGFZVNMMPXOC-UHFFFAOYSA-N 404.944 5.591 0 40 HKAB CCOC(=O)c1cnc2ccc(C3CCCCC3)cc2c1Nc1ccc2c(c1)OCO2 1590484 ZQNRPFJPJJQKMS-UHFFFAOYSA-N 418.493 5.932 0 40 HKAB CCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1OC)Nc1ccccc1-2 2084917 JRLDKYZJRZPCKY-FQEVSTJZSA-N 408.527 5.333 0 40 HKAB COc1ccccc1-c1c(NC(=O)c2ccc(Cl)cc2)n(C)c2ccccc2c1=O 2350852 YTADJWBCIWKHHF-UHFFFAOYSA-N 418.880 5.120 0 40 HKAB Cc1cc2nc(-c3cccnc3Cl)n(Cc3c(F)cccc3Cl)c2cc1C 3133419 UWVXNVJMLUSFDV-UHFFFAOYSA-N 400.284 6.209 0 40 HKAB O=C(COc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 3237197 PZWPOXDEDOXKOS-UHFFFAOYSA-N 412.839 5.367 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 3312459 SPJBSFSCQUVTOS-MRXNPFEDSA-N 402.494 5.033 0 40 HKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 3330136 HVJCKQPHXQDDLJ-CQSZACIVSA-N 413.470 5.137 0 40 HKAB Cc1cc2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)n2c2ccccc12 3495906 BYHAKTHSVHUOBX-UHFFFAOYSA-N 418.566 5.110 0 40 HKAB Cc1cccc(CSc2cn(CCNC(=O)c3ccccc3C)c3ccccc23)c1 4059804 DJPLQMMFWRZRQT-UHFFFAOYSA-N 414.574 5.980 0 40 HKAB Cc1ccccc1Cn1cc(SCC(=O)NCCc2ccccc2)c2ccccc21 4060754 WCJHSQKNMPCJCS-UHFFFAOYSA-N 414.574 5.449 0 40 HKAB CC(=O)[C@@]12CCCC[C@@H]1C[C@@H]1[C@@H]3C[C@H](C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 4074015 PATZWJFBWJISFP-ITMVOMNUSA-N 402.619 5.126 0 40 HKAB biogenic O=C(Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCC2)c1cccs1 4349573 WPVJMJUVXQEAPE-UHFFFAOYSA-N 401.940 5.825 0 40 HKAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4)cc2)N3)C1 4544843 QWDNZSQKWHXJBU-IVZQSRNASA-N 404.535 5.306 0 40 HKAB CSc1cccc(-c2nnc(NC(=O)C(c3ccccc3)c3ccccc3)o2)c1 4585599 VGESAHGFFNHLRO-UHFFFAOYSA-N 401.491 5.229 0 40 HKAB CCCCc1cc(=O)oc2cc(O[C@H](C(=O)OC)c3ccccc3)c(Cl)cc12 4747486 QZHVCCOXBRVYLF-NRFANRHFSA-N 400.858 5.082 0 40 HKAB CCOc1cc(CNCc2ccco2)cc(Br)c1OCc1ccccc1 4942814 SKOVGOUUKMBKMF-UHFFFAOYSA-N 416.315 5.310 0 40 HKAB O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1ccc(C(F)(F)F)cc1 5125648 WOWXHXRCLSGCHW-SLMZUGIISA-N 408.379 5.936 0 40 HKAB Cc1ccc(OCc2nnc(SC/C=C/c3ccccc3)n2Cc2ccco2)cc1 5478381 VPJWEJDVRAHKAH-RMKNXTFCSA-N 417.534 5.612 0 40 HKAB O=C(c1ccc(F)cc1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 5734421 NKELGKZCMVRODQ-LBWJZVLLSA-N 410.492 6.263 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCc3nc4sc(C)c(C)c4c(=O)[nH]3)c2n1 6017058 OYYSARZVIYATMA-UHFFFAOYSA-N 420.321 5.344 0 40 HKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)C(Cl)(Cl)Cl 6203395 FOTKKXDHZXRETM-UHFFFAOYSA-N 411.720 5.161 0 40 HKAB O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)c1ccc(C(F)(F)F)cc1 6549508 IULAVWGMCMVQOX-SFHVURJKSA-N 414.452 5.810 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3Cl)cc2C(=O)Nc2nc(C)cs2)cc1 6785229 SDQDYPDYSYGGPS-UHFFFAOYSA-N 408.914 5.518 0 40 HKAB COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C 6903227 MDNXDOLAJJTYCN-LDADJPATSA-N 405.885 5.302 0 40 HKAB CSc1ccc(OC2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(Cl)cc2)cc1 8452932 MWCHKTLYFZNCJL-QNGOZBTKSA-N 420.921 5.885 0 40 HKAB COc1cc(CNCc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 8471531 UGIHZIKLBQJOAJ-UHFFFAOYSA-N 402.321 5.871 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2nccs2)c2ccccc2)c1C 8548590 XTRUYBKSNMHHMJ-HXUWFJFHSA-N 419.575 6.275 0 40 HKAB Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)cc4)cc3)nc2c1 8986319 XWNDXCVIBRWEGJ-UHFFFAOYSA-N 421.909 5.583 0 40 HKAB O=C(c1ccccc1)c1cnc(Nc2nc3ccccc3s2)nc1-c1ccccc1 9111341 MYWXOCSZLBXFOH-UHFFFAOYSA-N 408.486 5.728 0 40 HKAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)COc3ccc(Cl)cc3)ccc1O2 9135335 OJGVLOZDIDGEGF-UHFFFAOYSA-N 422.868 5.048 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)cc(=O)c3c2)cc1 9660178 RSQFGNSIGBTHDK-UHFFFAOYSA-N 413.473 5.844 0 40 HKAB biogenic O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc(Br)o1 10692273 HLKCSSKUMSPVFI-MRXNPFEDSA-N 409.283 5.085 0 40 HKAB CC(C)c1ccc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 11916227 RYISYEOITGUEGQ-KRWDZBQOSA-N 408.567 5.593 0 40 HKAB CCOc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccc4ccccc34)=NN12 12192341 VGVSVSLLPGUTSD-NAKRPHOHSA-N 420.512 6.481 0 40 HKAB Cc1c(-c2ccccc2)sc2ncnc(N[C@@H](c3ccccc3)c3nccn3C)c12 12547619 GIOSQFUDQWAJQQ-FQEVSTJZSA-N 411.534 5.602 0 40 HKAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(NC(C)=O)cc2)cc1Cl 12645834 KVRYZFADESBFSK-QFIPXVFZSA-N 421.884 5.078 0 40 HKAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3ccccc3C(C)(C)C)cc2)o1 12790836 BAHXOPJYMQMJLJ-UHFFFAOYSA-N 411.505 6.262 0 40 HKAB Cc1ccc([C@@H](NC(=O)COc2ccc(C3SCCCS3)cc2)C2CC2)cc1 12887489 HXRPJTBCFFOOID-JOCHJYFZSA-N 413.608 5.510 0 40 HKAB CSc1cccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c1 12887664 NQXUUZZXYQFODL-HXUWFJFHSA-N 400.594 5.118 0 40 HKAB Fc1ccc(/C=C/c2nc(SCc3cc(-c4ccc(Cl)cc4)no3)n[nH]2)cc1 12977529 DRTLIHIOCYUESS-XCVCLJGOSA-N 412.877 5.715 0 40 HKAB CC(C)c1nnc(SCc2nc(-c3cccc(Cl)c3)no2)n1Cc1ccco1 14251477 IHYJQJHKZNEKSF-UHFFFAOYSA-N 415.906 5.039 0 40 HKAB Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2c1[C@@H](c1cccc(F)c1)CC(=O)N2 15106747 QZAIGUPAFBIPKX-MRXNPFEDSA-N 414.889 5.575 0 40 HKAB COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c(OC)c1 16268817 DKEZSVKVJWFEQH-UHFFFAOYSA-N 416.477 5.690 0 40 HKAB COc1ccccc1N1C[C@](O)(c2ccc(-c3ccccc3)cc2)[N+]2=C1CCCCC2 22408203 PCFNHUBZCPRJHC-MHZLTWQESA-N 413.541 5.013 0 40 HKAB O=C(Nc1cccc(NC(=O)c2ccccc2SC[C@@H]2CCCO2)c1)c1ccco1 23200870 JSLPIAGVGWJJNG-SFHVURJKSA-N 422.506 5.055 0 40 HKAB Cc1ccc(CSc2nc3ccccc3n2C(=O)COc2ccc(F)cc2)cc1 27018316 PNEYDTDFASIRBZ-UHFFFAOYSA-N 406.482 5.495 0 40 HKAB Cc1ccc(-n2c(S[C@H](C)c3nc(C(C)C)no3)nnc2-c2ccccc2)cc1C 27774950 CWAITFRYDPVRMP-QGZVFWFLSA-N 419.554 5.911 0 40 HKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 27917905 BHONPPAXEUVRGG-HNNXBMFYSA-N 402.947 5.085 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)NC[C@H](c3ccccc3)c3c[nH]c4ccccc34)oc2c1 27992138 YKBZXPXKGYAYNJ-JOCHJYFZSA-N 422.528 6.401 0 40 HKAB CC(C)COc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 28288389 HZEFOZHJGQVKOW-UHFFFAOYSA-N 414.958 5.471 0 40 HKAB Cc1cc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N(C)C)c(C)c2cc1C 28289704 SBZIUGMNDVAUPG-QFIPXVFZSA-N 406.570 5.688 0 40 HKAB Nc1c(C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1C(=O)c1ccccc1 28535379 OXGRFUAJLDHYGY-UHFFFAOYSA-N 424.287 5.471 0 40 HKAB CCOc1cc(C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OCC 33737706 XJNSJGIMIUFMAA-UHFFFAOYSA-N 414.299 5.652 0 40 HKAB Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)c(C)c1 41076851 YNDQVGUETIOPGQ-UHFFFAOYSA-N 415.562 5.741 0 40 HKAB O=C(c1cc(Nc2cccc(C(F)(F)F)c2)c2ccccc2n1)N1CCSCC1 44169733 LMOYTBUUEUMNPQ-UHFFFAOYSA-N 417.456 5.186 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078450 VDBGPLVHVQXAJP-UHFFFAOYSA-N 408.860 5.324 0 40 HKAB COc1ccc(NC(=O)[C@@H](C)S[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 58006628 HCYXWFZXELREBJ-OPAMFIHVSA-N 411.954 6.198 0 40 HKAB COc1cccc(OC)c1C(=O)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 72338400 GPZSZLHQLYFFHR-MRXNPFEDSA-N 412.511 5.178 0 40 HKAB Fc1cccc([C@H]2CC(c3cccs3)=NN2C(=S)NCCc2ccccc2)c1 79112542 QFWRCGKBDZYOIO-HXUWFJFHSA-N 409.555 5.156 0 40 HKAB COc1cc([C@H]2C3=C(O)C[C@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)ccc1O 102720399 GHTSTQXWZJSZCL-IVZQSRNASA-N 418.449 5.011 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1Cl)N1[C@@H](c2ccccc2)[C@@H]1c1ccccc1 107917530 OOTJAICCVADQRI-PMACEKPBSA-N 404.318 5.480 0 40 HKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(Cc2ccccc2)c1C 222961634 XGCQWZKBJIQMDZ-BJKOFHAPSA-N 418.610 5.321 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1C(C)C 223385722 GJNXQUQBACZMBI-HXUWFJFHSA-N 419.569 5.480 0 40 HKAB Cc1cc(NC(=S)NCC2(c3ccccc3)CCCCC2)ncc1Br 223991787 HMAXHFYUXUBPCG-UHFFFAOYSA-N 418.404 5.341 0 40 HKAB CCCCN(CCCC)C[C@H]1c2cc(Cl)ccc2-c2c(CO)cc(Cl)cc21 256071448 CDTMFDFQQNFAID-QFIPXVFZSA-N 406.397 6.500 0 40 HKAB CCCC[C@H](CC)CO[P@@](=O)(C[C@H](CC)CCCC)OC[C@H](CC)CCCC 256089635 GOCVCBDBQYEFQD-GFXAMXPBSA-N 418.643 8.862 0 40 HKAB COc1ccc(CCN2CCC[C@@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)cc1 257328739 XGWZUZQBCPBDOP-OAQYLSRUSA-N 422.519 5.381 0 40 HKAB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccccc1OC 408560551 DFLDHLLEGXLYNW-ATJXCDBQSA-N 421.349 5.601 0 40 HKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 408675987 MLUPTXGVPFJDNX-UHFFFAOYSA-N 422.406 5.755 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2cccc(Cl)c2)cc1 408696865 FKOMBMQYKICAQZ-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1cccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3C)n2)c1 408727854 YDIHOFZLGMKQEC-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccccc2Cl)C1=O 408801372 AHOCJSIWSYVHOA-CVMPDPLCSA-N 411.978 6.394 0 40 HKAB O=C(Oc1csc(=S)n1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 408822740 UYBBXWWIMBHMHA-UHFFFAOYSA-N 410.303 5.494 0 40 HKAB Cc1ccc(CSCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 409026123 GZGANZRXJASFAD-UHFFFAOYSA-N 405.607 6.335 0 40 HKAB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1c1ccccc1 409072905 NYKNEHYTFLVIER-ZHZULCJRSA-N 423.946 6.732 0 40 HKAB CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)NC1=S 409080572 LSOYBPINGZQFQN-ZROIWOOFSA-N 414.836 5.086 0 40 HKAB Clc1ccccc1COc1ccc(CNc2ccccc2)cc1Br 409117244 QQPHVGCCIKBCJM-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB CC(C)CN1C(=O)/C(=C\c2ccccc2OCc2cccc(F)c2)c2ccccc21 409121839 WXGYVSVDLRONCK-HAHDFKILSA-N 401.481 5.948 0 40 HKAB CC(=O)Nc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)ccc1C 409180530 WMDOWAIXXWIOHZ-HSZRJFAPSA-N 421.880 5.388 0 40 HKAB Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c1C 409382648 WNWCUSGWJUFOCM-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(c1cc(C(=O)c2cccs2)cc(C(=O)c2cccs2)c1)c1cccs1 983942 QPNIJSBUVITZTQ-UHFFFAOYSA-N 408.525 5.564 0 40 HKAB O=C(Nc1cccc2ccccc12)c1cc2sccc2n1Cc1ccc(F)cc1 1324266 OQZDKWXWVQBJDF-UHFFFAOYSA-N 400.478 6.296 0 40 HKAB Cc1cc2c(ncn2C(C)C)c(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1C 1388523 WKKQTQKKPCCGQQ-UHFFFAOYSA-N 411.449 5.054 0 40 HKAB CC(C)c1ccc(NC(=O)c2cccn2-c2ncc(C(F)(F)F)cc2Cl)cc1 1392000 GFPQVRDONGNFOE-UHFFFAOYSA-N 407.823 5.920 0 40 HKAB COc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)cc1 1414004 OIDZHDPKVKRWNT-UHFFFAOYSA-N 416.477 5.446 0 40 HKAB CSc1nc(N)c2c3c(sc2n1)[C@H](c1ccccc1)S[C@@H](c1ccccc1)C3 1825556 RVSPEKVTQIGLOB-AEFFLSMTSA-N 421.616 6.115 0 40 HKAB Cc1ccc([C@@H](CC(=O)N[C@@H]2CCOC(C)(C)C2)c2ccc(OC(C)C)cc2)cc1 2146149 FMJXDKAJJFRTMH-ISKFKSNPSA-N 409.570 5.378 0 40 HKAB biogenic CCC(=O)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccc(F)cc4)cn13)CCCC2 2199438 VADIBCYHXAWAKM-UHFFFAOYSA-N 420.915 6.796 0 40 HKAB O=C(Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)c1ccccc1Cl 2436847 PIDULLVMYDZSBH-UHFFFAOYSA-N 411.240 5.986 0 40 HKAB biogenic O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)Nc1ccc(Cl)cc1Cl 2649337 ZYKMDVOBBVAGLP-UHFFFAOYSA-N 417.292 5.149 0 40 HKAB aggregator CCc1ccc(OCc2ccc(-c3nc4c5c(C)c(C)sc5ncn4n3)o2)cc1 2791781 PPBBWBQLKHBSTB-UHFFFAOYSA-N 404.495 5.357 0 40 HKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)Oc1ccc(Cl)cc1 3280440 VSZGBUIUDWEBGB-MDWZMJQESA-N 406.894 5.873 0 40 HKAB O=C(CCN1c2ccccc2Sc2ccccc21)Nc1cc(Cl)cc(Cl)c1 3334091 LISYVXHZMUQAJJ-UHFFFAOYSA-N 415.345 6.625 0 40 HKAB S=C(Nc1cccc(Br)c1)N1CCn2cccc2[C@H]1c1ccccc1 4059418 OEAAJWZOERAQEG-LJQANCHMSA-N 412.356 5.053 0 40 HKAB O=C(CSc1nnc(SCc2cccc(Cl)c2)s1)Nc1ccccc1 4290489 XLDRRFYGKDVSFY-UHFFFAOYSA-N 407.973 5.215 0 40 HKAB O=C(Nc1cccc(Cl)c1)N(C1=NCCS1)c1ccc(Br)cc1 4619556 JNZRGFCVIGHMFU-UHFFFAOYSA-N 410.724 5.244 0 40 HKAB Cc1cc(NC(=O)CSc2nc(C3CCCCC3)nc3sc(C)c(C)c23)no1 4848097 OXRAGFGXCBMAJH-UHFFFAOYSA-N 416.572 5.383 0 40 HKAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1[C@@H](C)c1ccccc1 4860336 TWXBBNZGNDAXBJ-INIZCTEOSA-N 418.522 5.187 0 40 HKAB CCOC(=O)c1cccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)c1 4970921 XKZGINPCIHMAIZ-UHFFFAOYSA-N 404.491 5.180 0 40 HKAB CCOc1ccccc1Oc1cn[nH]c1-c1ccc(OCc2ccccc2F)cc1O 5176864 FXMKVOPQKWBOAW-UHFFFAOYSA-N 420.440 5.691 0 40 HKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccccc2)cc1 5546088 LRKCLMUKMSOCKB-FYYLOGMGSA-N 409.316 6.544 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c(Cl)c1 5961880 ILRSLJXQAALHKR-UHFFFAOYSA-N 418.880 6.208 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1 6026828 OHMQAMSYOSGLGU-UHFFFAOYSA-N 412.892 5.671 0 40 HKAB Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)s2)c1 6651131 CDTDYTIROYTOCX-LJIGWXMPSA-N 404.605 5.012 0 40 HKAB COc1ccc(C(=O)Oc2cc(-c3ccc(Cl)cc3)c3oc(=O)sc3c2)cc1 6809701 ZWXMCAHAAYBYML-UHFFFAOYSA-N 412.850 5.403 0 40 HKAB CCCCNCc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 7261628 YMQRWQXHDDJTEI-UHFFFAOYSA-N 412.755 5.580 0 40 HKAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N[C@@H]2CCCc3ccccc32)cs1 7264027 GXFZFHGVXUDGAM-JXVRESAISA-N 417.534 5.035 0 40 HKAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccccc3C(=O)NC3CCCC3)ccc2c1 7987657 KXZPBKICTRBRMR-QGZVFWFLSA-N 416.521 5.263 0 40 HKAB Fc1ccc(-c2cnn3c(-c4ccc(-c5ccc(Cl)cc5Cl)o4)ccnc23)cc1 8857208 VQSRLNIXUBREQH-UHFFFAOYSA-N 424.262 6.769 0 40 HKAB COc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)S[C@@H]2c2ccc(C)cc2)cc1 8917126 XWSKJLMMZQOCGR-WLGHQHAYSA-N 421.949 6.477 0 40 HKAB COc1cc(C(=S)NCc2ccccc2Cl)ccc1OCc1ccc(C)cc1 9188179 KHQROLHFQKQOJM-UHFFFAOYSA-N 411.954 5.701 0 40 HKAB C[C@H](c1ccc(-c2ccccc2)c(F)c1)c1nn2c(-c3cccnc3)nnc2s1 9483504 ACPRDJQDJPAIQO-CQSZACIVSA-N 401.470 5.206 0 40 HKAB CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(c1cc(C)on1)C3=O 9487052 ZXIGJOIWNRRZBW-HXUWFJFHSA-N 420.852 5.055 0 40 HKAB CC[C@@H](C(=O)OCc1csc(N(C(C)=O)c2cccc(C)c2)n1)c1ccccc1 11411756 OYHPXOGMNRTVDS-OAQYLSRUSA-N 408.523 5.373 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)n1c(NCc2ccncc2)nc2ccccc21 12499506 LHTVHFUQMGVHGU-UHFFFAOYSA-N 419.488 5.791 0 40 HKAB CN(Cc1ccsc1)C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 12600437 MCZYRVLUPMKUSA-MDZDMXLPSA-N 419.575 5.393 0 40 HKAB CC1CCN([C@@H](CNC(=O)CCCc2c[nH]c3ccccc23)c2cccs2)CC1 12780599 GUUNQXNTKXKZAS-QFIPXVFZSA-N 409.599 5.142 0 40 HKAB C[C@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(C(C)(C)C)cc1 13646390 TVKGJMHMQLMBLL-ZDUSSCGKSA-N 400.371 5.472 0 40 HKAB O=C1c2ccccc2[C@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1C1CCCCC1 13943847 NRHZNHDHOPXBBX-HHHXNRCGSA-N 424.519 6.852 0 40 HKAB CCOP(=O)(OCC)c1nc(-c2ccc(C)cc2)oc1NCc1ccc(F)cc1 16749682 RTRZZCNRHUCLTN-UHFFFAOYSA-N 418.405 5.293 0 40 HKAB Cc1cccc(NC(=O)Cn2c3c(sc2=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)(C)S3)c1 16754174 GDPWCXPDRURPNU-DJIMGWMZSA-N 416.612 5.261 0 40 HKAB Cc1ccc(-n2c(COc3ccccc3)nnc2SCc2c(F)cccc2F)cc1 16789244 BVBUDYMBEDAWPZ-UHFFFAOYSA-N 423.488 5.725 0 40 HKAB Cc1sc2nc(S)n(-c3cc(C(C)(C)C)ccc3O)c(=O)c2c1-c1ccccc1 17093250 RIGRLCRDVNITMI-UHFFFAOYSA-N 422.575 5.714 0 40 HKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3cccc(OC)c3)c2)cc1 19691398 HYSCCAGOGYEDKL-XMMPIXPASA-N 402.494 5.052 0 40 HKAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(OCc2ccccc2)cc1 20609854 IPRKVEZOJSPXPM-UHFFFAOYSA-N 420.472 5.252 0 40 HKAB Cc1ccccc1[C@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccccc1 22519295 CIIZFPSEEMBPHT-HHHXNRCGSA-N 407.513 6.093 0 40 HKAB COCCn1c(S[C@@H](C)C(=O)c2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1 24168835 BCJQDFKCHLLMCL-KRWDZBQOSA-N 423.582 5.253 0 40 HKAB O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1cccc2ccccc12)c1ccccn1 27989096 OSPMKIBYYSHGNU-UHFFFAOYSA-N 424.431 5.327 0 40 HKAB Cc1noc(C)c1CSc1ccccc1C(=O)N(C)Cc1nc2ccccc2s1 28024161 BOQFWYGIHPNENA-UHFFFAOYSA-N 423.563 5.466 0 40 HKAB Cc1cccc(CSc2ncc(Cl)c(C(=O)Oc3ccccc3Cl)n2)c1 28290911 CLXYNVHNWQZCBY-UHFFFAOYSA-N 405.306 5.603 0 40 HKAB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)o1 33908418 UZXBSESEDMDNHF-UNOMPAQXSA-N 406.419 5.404 0 40 HKAB O=C(c1cccnc1Cl)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 34903931 FSDNODVMSGPZCU-HJPQOAPOSA-N 407.857 5.358 0 40 HKAB Cc1ccc(-c2cc(-c3ccc(C)cc3C)n(-c3cc(Cl)ccc3Cl)n2)c(C)c1 36611282 SJJYERDBNVNYEM-UHFFFAOYSA-N 421.371 7.747 0 40 HKAB Cc1cccc(C)c1Nc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)cs1 40556470 DKVBSUHCRFRUJF-UHFFFAOYSA-N 400.573 5.920 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Br)c1 40943884 YWKNOLAYLIXLSX-UHFFFAOYSA-N 416.237 5.609 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(Cl)c1 49005035 PKOHNWKAFQCZPV-SFHVURJKSA-N 408.933 5.740 0 40 HKAB Cc1c(-c2ccccc2)oc2c(C(=O)NCc3cc4ccccc4[nH]3)cccc2c1=O 58113343 JEILUZZAJLJZGD-UHFFFAOYSA-N 408.457 5.180 0 40 HKAB CSc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cn2)c1 67296490 GPDZWMUMABXSMZ-BZZOAKBMSA-N 401.491 5.343 0 40 HKAB COc1cc(C(C)=O)ccc1O[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 72305371 NATIGDWSCLOAFT-LBPRGKRZSA-N 406.360 5.107 0 40 HKAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(C(F)(F)F)cc2)cc1 72329000 HFUFXGCDYJKWGY-UHFFFAOYSA-N 417.431 5.204 0 40 HKAB Brc1ccc2nc(-c3ccc(I)cc3)sc2c1 73638913 OFFIXJFQJZXOQX-UHFFFAOYSA-N 416.081 5.330 0 40 HKAB CCCCN(C)C(=O)c1cnc(-c2noc3cc(NCc4ccccc4)ccc23)s1 96154572 QBNJLJVHGIIGAE-UHFFFAOYSA-N 420.538 5.436 0 40 HKAB CCc1nn2c(O)cc(CSc3ccc(C)cc3)nc2c1-c1ccc(OC)cc1 102745037 QFEITLDKTBECGA-UHFFFAOYSA-N 405.523 5.274 0 40 HKAB CN1CCC(N(Cc2ccc(-c3ccc(F)cc3)cc2)Cc2ccccc2Cl)CC1 141533353 SOPUGDVWNHNWAX-UHFFFAOYSA-N 422.975 6.243 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccc(Cl)cc1 224160528 YGGPFQRHVQPULY-UHFFFAOYSA-N 409.869 5.383 0 40 HKAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc2ccccc2c1 224317742 IJOYHASNNOIVMD-UHFFFAOYSA-N 423.512 5.626 0 40 HKAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)c(OC)c1 224868028 YWUATULFIZWQQY-UHFFFAOYSA-N 421.280 5.237 0 40 HKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225167449 FJTBKXBTVIIDNZ-KRWDZBQOSA-N 404.919 5.093 0 40 HKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 225506328 KDZYJYPCFPSUMK-XMMPIXPASA-N 415.562 5.198 0 40 HKAB CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 226336665 TUFWQMMXALYTJQ-FNORWQNLSA-N 415.700 5.811 0 40 HKAB COC(=O)c1c(C)n(C(=O)c2cccc3c(Br)cccc23)c2ccccc12 226366020 HGJKJVYMEYGMDM-UHFFFAOYSA-N 422.278 5.341 0 40 HKAB O=C(c1ccccc1-c1ccccc1)N1CCOC[C@H](Cc2cncc3ccccc23)C1 257239949 HRMDFVMTZZBWSY-OAQYLSRUSA-N 422.528 5.233 0 40 HKAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccccc1Br 408563751 XBCNKLPZCCWGGD-XDOYNYLZSA-N 415.356 5.357 0 40 HKAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)c1 408615270 OFVZKBWZSMMIAD-UHFFFAOYSA-N 400.522 5.475 0 40 HKAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409028485 NURYXJASEHTHAJ-KRXBUXKQSA-N 401.506 5.535 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2nc(-c3cccs3)c(-c3ccccc3)s2)c1 409052467 TUKQHFJFHUMMTQ-UHFFFAOYSA-N 422.531 5.808 0 40 HKAB CCOc1cc(CNc2ccccc2C)cc(Cl)c1OCc1ccccc1Cl 409113056 DHMPLGZCJHXBJK-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)ccc3C)ccc2C)c(C)c1 409380501 FTDUNDSORTZGJK-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB COc1ccc(OC)c(CCc2nc(-c3ccccc3OC(C)C)ccc2C(=O)O)c1 585265377 LBHRFTXVEMKCFV-UHFFFAOYSA-N 421.493 5.036 0 40 HKAB CCc1ccc([C@@H]2CN(Cc3ccccc3)[C@H]3CCN(Cc4ccco4)C[C@H]32)cc1 1848354087 VPYIEHFPRDRPSE-QKDODKLFSA-N 400.566 5.332 0 40 HKAB COc1ccc(OC)c(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c1 854703 TXLLVMAMFOIFFR-UHFFFAOYSA-N 407.253 5.226 0 40 HKAB Cc1ccc2oc(-c3cccc(NC(=O)c4cccc(Br)c4)c3)nc2c1 865339 CERZYGYOMCBFJX-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB CCc1ccccc1NC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 918029 LOSMGXYGWFQNHS-UHFFFAOYSA-N 421.444 5.439 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)c1 2056859 BYKWEYCLRSDVSY-UHFFFAOYSA-N 400.478 6.234 0 40 HKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(F)cc1 2060375 RRRYOZWGLNSXJH-UHFFFAOYSA-N 403.862 5.637 0 40 HKAB CC1(C)Cc2nc3oc4c(SCc5ccccc5Cl)ncnc4c3cc2CO1 2358747 ZNPWFGAJKGAHGP-UHFFFAOYSA-N 411.914 5.568 0 40 HKAB Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)c(-c3nc4ccccc4s3)cc12 3213058 RKPMOGCOYWNMIR-UHFFFAOYSA-N 418.525 6.673 0 40 HKAB O=C(OCc1cc(Cl)ccc1OC(F)F)C1(c2ccc(Cl)cc2)CCCC1 3235973 QIAGCGKERWRBJF-UHFFFAOYSA-N 415.263 6.150 0 40 HKAB O=C(O[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)C1CCCCC1 3261380 LWISDNRBIDROHJ-LJQANCHMSA-N 405.416 5.509 0 40 HKAB CCCn1c(SCc2nc3ccccc3n2Cc2ccccc2)nc2ccccc21 4046624 PZGFMEUYSBWNLN-UHFFFAOYSA-N 412.562 6.137 0 40 HKAB Cc1cc(C)c2c(-n3cccc3)c(NC(=O)OCc3ccc(Cl)cc3)sc2n1 4052803 FINBXKOTYOGYEY-UHFFFAOYSA-N 411.914 6.106 0 40 HKAB Brc1ccc(CSc2cn(Cc3ccccc3)c3ccccc23)cc1 4059618 YLYUCUYMNUASBV-UHFFFAOYSA-N 408.364 6.744 0 40 HKAB O=c1c2ccccc2nc2n1N1[C@@H](C[C@@H]2CC/C=C/c2ccccc2)[C@H]1c1ccccc1 4114512 MESUIWVVIPCEAW-FXJPUOTRSA-N 419.528 5.439 0 40 HKAB CCCC[C@H](CC)CSCCOC(C)OCCSC[C@@H](CC)CCCC 4783610 KTDUKFNZFGTHEB-VXKWHMMOSA-N 406.742 7.265 0 40 HKAB Cc1oc(-c2ccc(Cl)cc2)cc1-c1nn2c(Cc3ccccc3)nnc2s1 5235371 ANCAEYQQEFCRPI-UHFFFAOYSA-N 406.898 5.665 0 40 HKAB COc1ccc(OC)c(/C=C\c2ccc(NC(=O)C(Cl)(Cl)Cl)cc2)c1 5328978 LZDHWLOTHLRTDC-UTCJRWHESA-N 400.689 5.183 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 5614055 SWHIQMGRLYGVBA-OVCLIPMQSA-N 418.924 6.368 0 40 HKAB Cc1cc(C(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c(C)n1Cc1ccco1 6202016 IEYBVRRKVPKOBF-UHFFFAOYSA-N 406.265 5.093 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)N[C@@H]3CCCC[C@@H]3C)n2-c2ccccc2)c1 6422334 ZQQWGYWVIRRUAT-GHTZIAJQSA-N 420.582 5.030 0 40 HKAB CCOc1cccc(C(=O)Oc2cc(-c3ccc(C)cc3)c3oc(=O)sc3c2)c1 6809670 ULAUUAVBEMIARN-UHFFFAOYSA-N 406.459 5.448 0 40 HKAB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccccc3C(=O)OC(C)C)c2C)cc1 7375832 KHDOTDRMHCGJCL-NTCAYCPXSA-N 417.505 5.564 0 40 HKAB Cc1ccc(Nc2nc(N3CCC[C@H](C)C3)nc3c2cnn3-c2ccccc2)cc1C 7450904 FEQUNBPMLGHZFD-KRWDZBQOSA-N 412.541 5.412 0 40 HKAB CC[C@H](C)c1ccc(OCc2nnc(NC(=O)Nc3ccccc3OC)s2)cc1 8743199 VPDOFDIMLWTJJV-AWEZNQCLSA-N 412.515 5.283 0 40 HKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1ccccn1 8827473 WTPBAGWLKNVJFF-IBGZPJMESA-N 423.255 5.245 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)(C)C)cc1)N(c1ccccn1)C3=O 8827484 QHVQNJIZVCLLKG-HSZRJFAPSA-N 424.500 5.544 0 40 HKAB O=C1NC(=O)/C(=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)S1 9259034 JFVPEDHDPWRLGV-IZZDOVSWSA-N 416.705 5.171 0 40 HKAB Fc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)cc1 9391127 IXDGZWWCHGJMPQ-LJQANCHMSA-N 420.340 5.736 0 40 HKAB CCOc1cccc(C(=O)Oc2cc(-c3ccc(OC)cc3)c3oc(=O)sc3c2)c1 9430715 GQZTYMAPIZWJPR-UHFFFAOYSA-N 422.458 5.148 0 40 HKAB O=C(CSc1nc(-c2ccc(Cl)cc2)[nH]c1-c1ccccc1)NCc1ccco1 9674108 QGUCNPHBLBWXRP-UHFFFAOYSA-N 423.925 5.399 0 40 HKAB Clc1ccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1Cl 9730646 PRQSJCZRQGUTOY-UHFFFAOYSA-N 424.356 6.805 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1SC[C@@H]1CCCO1 9751692 UOIZSRGANZCCMI-QFIPXVFZSA-N 419.546 5.789 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccc(C)c(C)c3)C[C@H]21 10216182 VJLIFRAZSSOQHT-ZJSXRUAMSA-N 404.535 6.006 0 40 HKAB C[C@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1nc2ccccc2n1C(F)F 10637344 BFLXHMOQWWNOQR-CQSZACIVSA-N 422.479 5.325 0 40 HKAB CCCCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)c1 12062906 XZUZSYZHCIILPK-JOCHJYFZSA-N 405.494 5.236 0 40 HKAB O=C(O)[C@H](Sc1nnc(-c2ccc(Cl)cc2)c2ccccc12)c1ccccc1 12176782 BLVVEIDQZUTZEL-HXUWFJFHSA-N 406.894 5.868 0 40 HKAB CCOC(=O)c1ccccc1NC(=O)c1cc(-c2cc(Cl)cc(Cl)c2)oc1C 12273699 GINITLSEYLQLRN-UHFFFAOYSA-N 418.276 5.991 0 40 HKAB C[C@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1ccncc1 12508747 SIJLNVDNBKOYSE-HNNXBMFYSA-N 405.448 5.318 0 40 HKAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CSc2cc(C)c3ccccc3n2)c1 12539135 HIDSSXIWUDHUQW-OAQYLSRUSA-N 422.550 5.016 0 40 HKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(COc2ccc(F)cc2Cl)cs1 12772637 QXNOBFQLPLDHFZ-UHFFFAOYSA-N 404.894 5.816 0 40 HKAB Cc1ccc(C)c(Sc2ccc(NC(=O)C3CCN(C(=O)C(C)C)CC3)cc2)c1 12890389 UEAZGHKWLOWDGX-UHFFFAOYSA-N 410.583 5.288 0 40 HKAB COc1ccccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 13372389 KTZZOFDUDHMSFQ-UHFFFAOYSA-N 423.299 6.470 0 40 HKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccc2ccccc2c1 13423965 YVOYSBBSTQWAQX-UHFFFAOYSA-N 424.456 5.674 0 40 HKAB Cc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cccc(C)c2C)c1 13645724 IPCOINHQJZGNJA-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB CCc1ccc(O[C@@H](C)c2nnc(SCc3ccccc3Cl)n2CC)cc1 13871448 QXBDGZPEHFLUKZ-HNNXBMFYSA-N 401.963 5.946 0 40 HKAB COc1ccc(C(=O)c2oc3ccc(NC(=O)/C=C/c4ccccc4)cc3c2C)cc1 15729482 RNDYJOBHHYKVEK-OVCLIPMQSA-N 411.457 5.633 0 40 HKAB Cc1ccc(NC(=O)OCc2cccs2)cc1NC(=O)OCc1cccs1 16347566 YZUKJICTJMXIQN-UHFFFAOYSA-N 402.497 5.615 0 40 HKAB CCC(=O)N1N=C(c2ccc(C3CCCCC3)cc2)Sc2c1ncn2C(=O)CC 16777635 JZCBDXPLXBIOID-UHFFFAOYSA-N 410.543 5.192 0 40 HKAB O=C(NC(=S)Nc1ccccc1N1CCCC1)c1cccc2c(Cl)cccc12 17088382 GZUQGYLYEXXMJK-UHFFFAOYSA-N 409.942 5.220 0 40 HKAB O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1c(F)c(F)c(F)c(F)c1F 17092892 HWEAMGLJMVRJFS-UHFFFAOYSA-N 422.284 5.582 0 40 HKAB Cc1ccc([C@@H](C)C(=O)N[C@@H]2CCCc3c2cnn3Cc2cccc(Cl)c2)cc1 19136303 LCZFBOMDLMLFDZ-VGOFRKELSA-N 407.945 5.191 0 40 HKAB O=C(N1CCCCC1)C1(Cc2ccccc2-c2coc3ccccc23)CCOCC1 19348509 JVYUJNOKURZKOW-UHFFFAOYSA-N 403.522 5.452 0 40 HKAB CCOc1ccc(CN[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)cc1OC 19533951 GOMZAZIQFYIVGL-SFHVURJKSA-N 402.585 5.302 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)c2[nH]nc3c2CCCCC3)n1 19691293 DDSHIZVCLFFQGW-HSZRJFAPSA-N 418.516 5.165 0 40 HKAB CCOc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccncc2)cc1 19823338 CRLFZNMTOQDUGO-UHFFFAOYSA-N 422.941 5.674 0 40 HKAB Cc1cc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc(C)c1Cl 20144347 PTHGNGIFXKUBPW-UHFFFAOYSA-N 420.292 5.380 0 40 HKAB COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)cc1OC 26771596 KLLUXTMIHCIHJO-MPLKVVTOSA-N 407.554 5.085 0 40 HKAB biogenic O=C(NCCSCc1ccsc1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 36396866 HYQSGVULCLPJAC-IAGOWNOFSA-N 414.621 5.457 0 40 HKAB Cc1ccc(Cn2cnc3c(-c4ccc(Br)cc4)csc3c2=O)cc1 38653530 MJPDOVGBOMJKEW-UHFFFAOYSA-N 411.324 5.244 0 40 HKAB CCc1nn2c(ncc3c(=O)n(C4CCCCCC4)ccc32)c1-c1ccc(F)cc1 40396772 LUESQZFBCJROSB-UHFFFAOYSA-N 404.489 5.308 0 40 HKAB CCOC(=O)/C(=C/c1cccc(Cl)c1Cl)c1nc2sc(C)c(C)c2c(=O)[nH]1 57815142 OSLQALXPLRPDOI-XYOKQWHBSA-N 423.321 5.012 0 40 HKAB COc1ccc(NC2=NC(=O)S/C2=C\c2cccc(OCc3cccnc3)c2)cc1 71286902 DNYWJZRZWZGNSG-BKUYFWCQSA-N 417.490 5.388 0 40 HKAB Nc1cc(Cl)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1NC1CCCCC1 72229403 IFBYHDNQCBWOKI-UHFFFAOYSA-N 412.748 6.226 0 40 HKAB CC(=O)Nc1ccc(CN2CCC(c3cccc(Cc4ccc(F)cc4)n3)CC2)cc1 72349938 REXYICJSQXCHAX-UHFFFAOYSA-N 417.528 5.150 0 40 HKAB CC1(C)CC(=C2[C@H]3C=C[C@H]2[C@@H]2C(=C4CC(C)(C)NC(C)(C)C4)C=C[C@H]32)CC(C)(C)N1 100476706 JWTSWIHDBSKTDE-JVNMPXIPSA-N 406.658 6.079 0 40 HKAB COc1ccc([C@H]2OC[C@]3(COC(=O)Nc4ccccc4)[C@@H](C)C=C(C)[C@@H]2[C@@H]3C)cc1 100549694 OGCHLIHOPGTPPY-CWFFZCCFSA-N 421.537 5.850 0 40 HKAB CC1=C[C@@H](C)[C@]2(COC(=O)Nc3ccccc3)CO[C@@H](CCc3ccccc3)[C@@H]1[C@H]2C 100742918 XELGSXZQIKSUPR-ZANIESOVSA-N 419.565 6.101 0 40 HKAB COC(=O)c1c(-c2c(F)cccc2Cl)noc1/C=C/Nc1ccc(OC)cc1 100915089 BNSTUYYQPNYPMJ-ZHACJKMWSA-N 402.809 5.012 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@@H](c4ccc(SC)cc4)C3=C(O)C2)cc1 102566148 AZLNSUWXRNQUEJ-ZHRRBRCNSA-N 418.522 5.074 0 40 HKAB CC1(C)[C@H]2C[C@H]3C(=CC[C@H]4C(=O)[C@@H]5CC=C6[C@H](C[C@@H]7C[C@@H]6C7(C)C)[C@@H]5C(=O)[C@@H]43)[C@@H]1C2 104134163 MGEJXICFGVOYBM-AEZYCXMUSA-N 404.594 5.628 0 40 HKAB CCCn1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c2ccccc21 106681654 LFCXWCAJXVREQD-NDENLUEZSA-N 410.926 5.941 0 40 HKAB CC(C)c1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)c(Br)c1 218872894 RXGILYZDDRCCBY-INIZCTEOSA-N 404.348 5.089 0 40 HKAB CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)N=C4SC[C@@H](CC)N43)o2)cc1 222712483 AZSODEDGHIIOEC-ZQMYSKGWSA-N 419.550 5.720 0 40 HKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)c(C)c1 222889798 HYDLVKXTIPILNW-RTWAWAEBSA-N 410.974 5.217 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 222928854 JNWYCJZFKGCNAP-NRFANRHFSA-N 413.558 5.254 0 40 HKAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1cc(C)cc(C)c1 224198102 BUTGCLVJSYSDDT-UHFFFAOYSA-N 401.506 5.090 0 40 HKAB COc1ccccc1CNC(=O)c1ccc(OC)c(COc2ccccc2C(C)C)c1 224234518 ADODBTYFJNCCFR-UHFFFAOYSA-N 419.521 5.336 0 40 HKAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 224621292 RCQQYXCKUAPYGL-DHIUTWEWSA-N 418.566 5.271 0 40 HKAB O=C(c1ccc(F)cc1)N1CCS/C1=C/c1csc(Nc2ccc(F)cc2)n1 225254090 BQRBFUCJHURGMR-WOJGMQOQSA-N 415.490 5.353 0 40 HKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225896271 WBQSFJNOKMNUOO-UHFFFAOYSA-N 414.590 6.076 0 40 HKAB C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)C1 226070631 OVAHSFANFACHDY-KCZVDYSFSA-N 419.650 5.016 0 40 HKAB CC(C)CN1C(=O)N(c2ccc(F)cc2F)[C@@H]2[C@H](c3ccccc3F)CCCC[C@@H]21 257224227 FAWHFZXBACOJQF-OFAXGOBFSA-N 416.487 6.097 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 257350318 WHZUCKVXGABTPN-QNATVPHSSA-N 413.734 7.958 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@](=O)(Nc1ccc(N(C)C)cc1)c1ccccc1 263621550 MTFNCAWTWQWUQM-AWWAEGHMSA-N 414.530 6.161 0 40 HKAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3ccc(C)c(C)c3)sc2n1 408618881 HQTHCHQTZMNDCZ-UHFFFAOYSA-N 412.584 5.273 0 40 HKAB CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 408624889 DFCSKEWRHLGMQA-UHFFFAOYSA-N 403.507 5.507 0 40 HKAB CCn1cc(C(=O)Nc2ccccc2Sc2ccccc2)c(=O)c2ccccc21 408713252 PVNWTRMPCPUTFF-UHFFFAOYSA-N 400.503 5.425 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)cc2-c2cccc3ccccc23)cc1 408723919 AJYTXQFGJTWCMB-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C1=O 408807569 CRVSDOJETMMDCF-NVNXTCNLSA-N 412.269 5.378 0 40 HKAB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)cc1C 408919480 YNHRLJIJEYXMNJ-FGEXJBCWSA-N 413.904 5.051 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccccc2)o1 409004400 AYXYDXOQGHTNPE-LLVKDONJSA-N 424.309 5.247 0 40 HKAB COC(=O)c1cc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)ccc1Cl 409252563 CIQTWMXMEWBAGN-XSFVSMFZSA-N 421.880 5.315 0 40 HKAB O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2ccc(F)cc2)N1c1ccccc1 409333642 UYQUJRYAQFMKDN-SANMLTNESA-N 408.476 6.192 0 40 HKAB CC(C)=CCC[C@]1(C)Oc2c(-c3ccccc3C(=O)O)cccc2[C@@H]2O[C@H](C)CC[C@H]21 585265559 JIWQSTNQSGETCP-BIIVWMMYSA-N 420.549 6.806 0 40 HKAB CC(C)(C)OC(=O)N1CCN(c2cc(Cl)cc3c2Oc2ccccc2C=N3)CC1 1570001184 QIUYQHGLECVEGP-UHFFFAOYSA-N 413.905 5.253 0 40 HKAB COc1cccc(C(=O)N2c3c(C)cccc3-c3c(ssc3=S)C2(C)C)c1 666638 ULNNOMPWOJWYGP-UHFFFAOYSA-N 413.589 6.419 0 40 HKAB O=C(Nc1cc(NC(=O)c2cccc3ccccc23)ccc1Cl)c1ccccc1 830118 KPEYVOXHVOOXLU-UHFFFAOYSA-N 400.865 5.998 0 40 HKAB Cc1ccc(C(=O)N(CC(=O)Nc2ccc(Cl)c(Cl)c2)Cc2ccco2)cc1 892261 RUBXEDMQSGMJGH-UHFFFAOYSA-N 417.292 5.176 0 40 HKAB COc1ccc(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)cc1 932832 BZFGSPCMEHCHDK-UHFFFAOYSA-N 418.493 5.805 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)c3ccccc3)cc12 1463412 MVNKKMVLIXPBJR-UHFFFAOYSA-N 400.430 5.538 0 40 HKAB biogenic Clc1ccc2nc(N(Cc3ccccc3)c3ccccc3)nc(-c3ccccc3)c2c1 1789664 WEIDJPHPLCKWQI-UHFFFAOYSA-N 421.931 7.289 0 40 HKAB Cc1nc(Sc2nnc3cc(C)c4ccccc4n23)c2c3c(sc2n1)CCCC3 1895194 YSWVOZFAGYICFM-UHFFFAOYSA-N 417.563 5.534 0 40 HKAB CC(C)(C)c1ccc(-c2nn(CN3CCCCC3)c(=S)n2-c2ccccc2)cc1 2070610 XALLZHPWXILXGM-UHFFFAOYSA-N 406.599 5.811 0 40 HKAB O=C(NCc1ccccc1)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1 2415931 JVQQBNRAVYGVHR-UHFFFAOYSA-N 408.326 5.496 0 40 HKAB O=C(Nc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccco1 2647741 AXXWFKSXYWPDRN-UHFFFAOYSA-N 408.255 5.147 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccc4ccccc4n3)cc2)cc1 2654284 QHNRZIMEAKQYCV-UHFFFAOYSA-N 411.461 5.138 0 40 HKAB CCCCOc1cccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)c1 2756282 WLKPBWPOPHXTCY-UHFFFAOYSA-N 400.272 5.541 0 40 HKAB Cc1cc(C)c(NC(=O)COC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)c(C)c1 3238100 PMELGIYROJFICZ-DEDYPNTBSA-N 423.509 5.535 0 40 HKAB Cn1c(-c2ccccc2)c(C(=O)COc2ccc(-c3ccccc3)cc2)c2ccccc21 3360002 LHKPZINRMUPHNG-UHFFFAOYSA-N 417.508 6.774 0 40 HKAB C[C@H]1C[C@H](N(Nc2ccccc2)c2ccccc2)N(c2ccccc2)N1c1ccccc1 4018047 HJMYOEFFGHWXHF-NEKDWFFYSA-N 420.560 6.567 0 40 HKAB CC(C)(C)SCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4024371 QAUWKRBHRKSCQO-OPCJHPJGSA-N 418.643 5.350 0 40 HKAB biogenic COc1cc(CNCC[C@H](CCC(C)C)[C@@H]2CCOC(C)(C)C2)ccc1OC(C)C 4088805 SELYHBJLSFPMJC-XZOQPEGZSA-N 419.650 6.220 0 40 HKAB biogenic CCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)cc1 4644302 DHNVNPBRBFGKLC-PNHLSOANSA-N 412.445 5.094 0 40 HKAB Cc1cc(C)cc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)c1 4658137 HCJUQTPGHCJSSO-UHFFFAOYSA-N 408.480 6.587 0 40 HKAB CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)C)cc1 4663674 WOCICPKRZGZPEY-WMBPSLEXSA-N 412.577 7.038 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CCCC(=O)NCc3ccccc3)ccc21 4675185 DWRIRDAPDQHCBI-UHFFFAOYSA-N 413.521 5.240 0 40 HKAB Cc1ccccc1Nc1c(-c2cc(Br)ccc2F)nc2cccc(C)n12 4733784 UILVVJHHWJUEJL-UHFFFAOYSA-N 410.290 6.263 0 40 HKAB O=C(c1ccc(Cl)cc1)n1nc(-c2ccco2)nc1NCc1ccccc1Cl 4739684 ZEBBKKVHEMNBCC-UHFFFAOYSA-N 413.264 5.146 0 40 HKAB CC(C)C1=CC2=CC[C@H]3[C@](C)(COC(=O)CSC(C)(C)C)CCC[C@]3(C)[C@@H]2CC1 4804335 XFHWWPKUODMDOZ-FIKUDORNSA-N 418.687 7.197 0 40 HKAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 5235040 BJCQURHIZJFGAN-UHFFFAOYSA-N 423.578 5.384 0 40 HKAB CCc1cc(-c2n[nH]c(C)c2-c2nc(C)cs2)c(O)cc1OCc1ccccc1 5317973 NMSCMZPLDFMTMW-UHFFFAOYSA-N 405.523 5.664 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2F)c(OC)c1 5445365 GTJPKZUHLSDTIJ-ZJSXRUAMSA-N 404.441 5.085 0 40 HKAB CCOC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2-c1ccccc1C(F)(F)F 5783322 LXLROODWCHPIIQ-UHFFFAOYSA-N 415.371 5.184 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)cc2)c1 6261131 NNCNRHNRWQACSZ-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB COc1ccc(-c2nnc(SCC(C)C)n2-c2ccc(Cl)c(Cl)c2)cc1 6317573 GJCJLJGSGSIVOX-UHFFFAOYSA-N 408.354 5.998 0 40 HKAB CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C 6359453 UFTJEYDOWBEJJY-NRFANRHFSA-N 422.598 5.334 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nncn2-c2ccccc2)c2ccccc2)c1 6830383 BWWKUZNFGWWUJM-QFIPXVFZSA-N 414.534 5.356 0 40 HKAB CCn1c(C)cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1C 7790729 VZZCYEYMFKENGA-UHFFFAOYSA-N 419.554 5.175 0 40 HKAB Cn1ccnc1[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1 8118036 RMRNALXZRJCANN-JOCHJYFZSA-N 417.896 5.385 0 40 HKAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 8161280 ZBMCIRMOVOBYSG-DFBJGRDBSA-N 417.505 5.317 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1nc(-c2ccc(F)cc2F)cs1 8443926 WVCFQUDLCZTSEM-UHFFFAOYSA-N 420.484 6.249 0 40 HKAB Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc5[nH]ccc5c4)c(C)c3cc2c1C 8765506 ZOGHYMDDXNHPCZ-UHFFFAOYSA-N 414.461 5.517 0 40 HKAB biogenic CC[C@@H](Sc1nc2ccccc2n1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1 8837047 ISRVPVBTCWVGJJ-OAQYLSRUSA-N 421.953 6.188 0 40 HKAB CC1=C(C)[C@@H](c2c(-c3ccc(F)cc3)n(C)c3ccccc23)N(C[C@H]2CCCO2)C1=O 9095168 RRGUPCGBHLLZEV-YKSBVNFPSA-N 418.512 5.383 0 40 HKAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1cnn(Cc2ccccc2)c1 9741804 MZDKKDVLRUKPRD-NRFANRHFSA-N 424.548 5.057 0 40 HKAB Cc1ccc(OCC(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 10120436 HUYMGPKPUZVWOU-UHFFFAOYSA-N 400.478 5.115 0 40 HKAB Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(Br)c2)cc1 12195114 AYKVYBMKMHNTPW-RBBKRZOGSA-N 423.285 5.831 0 40 HKAB Nc1c(C(=O)Nc2ccc(Cl)cc2Cl)c2ccccn2c1C(=O)c1ccccc1 12342137 KRQNQXNDTLDCNQ-UHFFFAOYSA-N 424.287 5.312 0 40 HKAB C[C@@H](CCN1CCC([C@@H](NC(=O)C(C)(C)C)c2nccs2)CC1)c1ccccc1 12365692 KZCMAQIGRNAGQX-GHTZIAJQSA-N 413.631 5.252 0 40 HKAB Cc1ccc(C)c(Cn2c([C@@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)c1 12447216 GANAYFSRMHCTMD-JOCHJYFZSA-N 409.533 5.530 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CCCc1cccs1)CC2 12733410 KPYKNRCKUAENTD-RUZDIDTESA-N 421.562 5.262 0 40 HKAB CCCc1noc([C@@H](C)Sc2nnc(-c3ccc(F)cc3)n2Cc2ccccc2)n1 13009073 VGMAQVQFOSBLSN-OAHLLOKOSA-N 423.517 5.321 0 40 HKAB CCOc1ccc2c(c1)-c1c(ss/c1=N\c1cccc(Cl)c1)C(C)(C)N2 13562036 ZVWBWJYSHDSIDF-QOCHGBHMSA-N 402.972 6.422 0 40 HKAB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)c(OC)c1 13759374 WHZYEDGTWVFQTK-TUACAJSNSA-N 415.961 5.226 0 40 HKAB CC(C)(C)c1ccc(OCc2nc(-c3cccc(Br)c3)cs2)cc1 15043207 KSASYXUNWRBHDC-UHFFFAOYSA-N 402.357 6.449 0 40 HKAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc(C)c1-c1ccccc1 16682997 CAXUQOQNNPMUSV-NTCAYCPXSA-N 421.518 5.561 0 40 HKAB Cc1ccc(-c2nc(Cn3ccn4nc(-c5ccc(C)c(C)c5)cc4c3=O)c(C)o2)cc1 16840026 IOIWFABSEQLRIK-UHFFFAOYSA-N 424.504 5.100 0 40 HKAB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2ccc3ccccc3c2)c2ccccc21 17083447 FSESELFNBHENJU-NDEPHWFRSA-N 421.496 5.156 0 40 HKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 17091179 ZFAPTBDITJQARN-UHFFFAOYSA-N 417.559 5.707 0 40 HKAB Cc1cccc(-c2cc(C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)c1 17094089 DQJROTUCKQMOCR-HWWKNPRSSA-N 424.588 6.545 0 40 HKAB CCOC(=O)c1ccc(/N=c2\ssc3c2-c2cc(C)ccc2NC3(C)C)cc1 18044362 XUJXTWYFTAOYDR-ATJXCDBQSA-N 410.564 5.855 0 40 HKAB Cc1nn(-c2nc3ccccc3s2)c2c1C(=O)C[C@@H](c1ccc(C(C)C)cc1)C2 19817315 SZCZGQJYGRUTPF-SFHVURJKSA-N 401.535 5.827 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 20107835 ZQJRFHQIOMKHQV-JOCHJYFZSA-N 411.954 6.428 0 40 HKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)cc4)cc3n2)cc1 20610678 BRKOMZXLXHQTDH-UHFFFAOYSA-N 420.900 5.215 0 40 HKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(C)cc2)cc1 20970010 URAKIMWMIHNFJD-VWLOTQADSA-N 422.532 5.835 0 40 HKAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 21629745 NXBGUXAPZOGNBV-UHFFFAOYSA-N 424.422 5.973 0 40 HKAB CCN(CC)CCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 22074944 WBQTUSCGERLRLP-UHFFFAOYSA-N 411.373 5.012 0 40 HKAB Cc1cc(-n2c(C)cc(C(=O)N[C@H](c3ccc(F)cc3)c3cccs3)c2C)no1 23184496 VVBJOCGALBBRCV-OAQYLSRUSA-N 409.486 5.111 0 40 HKAB O=C(OCc1nc(-c2ccccc2)no1)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 23292209 LQZCBDONHJYEMJ-SJORKVTESA-N 419.506 5.364 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2cccc3cccnc23)cc1OC 23652052 KRCJBZMDCUMRIB-UHFFFAOYSA-N 415.287 5.047 0 40 HKAB CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CCCC[C@@H]12 25184590 LVPNZRZEDKYINV-IFMALSPDSA-N 413.443 5.030 0 40 HKAB CC(C)Oc1ccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 28288675 ZOJGJASRLKFFDO-XMMPIXPASA-N 408.586 5.338 0 40 HKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 30873479 NMNUODOZBWNANT-NRFANRHFSA-N 414.933 5.199 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1C 32115276 OEFASDDGOPJTMI-UHFFFAOYSA-N 412.823 6.296 0 40 HKAB Cc1occc1-c1nnc(SCc2nc(-c3cccs3)no2)n1-c1ccccc1 32671966 LZKOVYFLQXRNSG-UHFFFAOYSA-N 421.507 5.240 0 40 HKAB O=C(/C=C/c1ccc(Cl)s1)Nc1ccc(Cl)cc1NC(=O)c1ccco1 32833930 DLPFZUJIFYLGCY-VMPITWQZSA-N 407.278 5.552 0 40 HKAB CCOc1c(Br)cc(Br)cc1CNc1ccccc1Cl 37210768 CVLJHEJHUXZYHW-UHFFFAOYSA-N 419.544 5.876 0 40 HKAB COc1ccc(C)cc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38849458 WGGZGTBIHSZSLL-UHFFFAOYSA-N 407.341 5.161 0 40 HKAB Cc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1Cl 38849682 RUDOCEUMAMXNNN-UHFFFAOYSA-N 411.760 5.806 0 40 HKAB COc1ccccc1[C@@H](C)N(C)C(=O)CCc1ncc(-c2ccc(CC(C)C)cc2)o1 40069871 UBVNIQOAMYAANO-LJQANCHMSA-N 420.553 5.701 0 40 HKAB CC(C)Oc1ccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc23)cc1 67262233 BZBHKGSFLAPQOP-UHFFFAOYSA-N 409.493 5.344 0 40 HKAB COc1ccc(-c2ccc3c(Cl)nc(Cl)nc3n2)cc1COC(=O)C(C)(C)C 79069797 JXJZCYZMHHQKEE-UHFFFAOYSA-N 420.296 5.097 0 40 HKAB Cc1ccc(-c2nc3sc([C@@H](c4ccccc4)N4CCCCC4)c(O)n3n2)cc1 96336884 GRJOHYQALZSGBU-LJQANCHMSA-N 404.539 5.047 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 97994257 KCGDBBUHWZVHTK-FIOICXDGSA-N 413.481 5.083 0 40 HKAB C/C=C/c1cc(-c2c(O)c3ccccc3n(-c3ccccc3)c2=O)nn1-c1ccccc1 101628090 CGVXNSXSFSUCHB-BIIKFXOESA-N 419.484 5.582 0 40 HKAB CCCCCOc1ccc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1 102861234 PAUJGAWADQBATB-RUZDIDTESA-N 404.554 7.127 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4N5CCCN=C5CC[C@]4(C)[C@@H]3CC[C@@]21C 104153732 GADHUERTDPPUEB-DZPCXWPPSA-N 424.717 7.699 0 40 HKAB COc1ccc([C@@H]2OC[C@]3(COC(=O)Nc4ccccc4)[C@@H](C)C=C(C)[C@@H]2[C@@H]3C)cc1 169684232 OGCHLIHOPGTPPY-BXKNRMDLSA-N 421.537 5.850 0 40 HKAB CC(C)CSc1nnc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)s1 223032922 CBUSNCKHJHCRPI-UHFFFAOYSA-N 422.428 5.465 0 40 HKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(C)c(Cl)c4)ccc32)c1 223083294 RTYZVYOWELXPSR-UHFFFAOYSA-N 418.924 5.802 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccc2ccccc2c1 224312070 IKMAXHPLUXNWFZ-UHFFFAOYSA-N 401.437 5.819 0 40 HKAB COc1ccc(S(=O)(=O)N(C)c2cc(Cl)cc(Cl)c2)c(Cl)c1Cl 224618948 UZVYRYUNOKZIIX-UHFFFAOYSA-N 415.125 5.134 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccccc2CN2CCCCC2)c1 224850788 NUPWBXFACJETHM-NRFANRHFSA-N 408.586 5.188 0 40 HKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 225066873 XIFQILYUMCYHLQ-VWLOTQADSA-N 420.597 5.102 0 40 HKAB Nc1c(-c2cccc(Br)c2)c(C(F)(F)F)nn1-c1cccc(Cl)c1 225181251 ATLWJCUCOXNBQH-UHFFFAOYSA-N 416.628 5.556 0 40 HKAB CC(C)c1ccc(NC(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)cc1 225337825 GDZVLRBDTKHEOU-UHFFFAOYSA-N 413.546 6.177 0 40 HKAB Cc1ccccc1CN(C(=O)CCc1cccc2ccccc12)[C@@H](C)C(=O)NC(C)C 225494231 KCXCWVCXKZZQBB-NRFANRHFSA-N 416.565 5.023 0 40 HKAB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)NCc1cncc(-c2cccs2)c1 225665238 BQDZQCURJBWQRN-UHFFFAOYSA-N 424.875 5.731 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C(=O)OCC 225678440 WUUQDBNUMKRMAJ-UHFFFAOYSA-N 409.526 5.411 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1 225705659 HMUDUULXMVOAKP-QFIPXVFZSA-N 413.986 5.848 0 40 HKAB CCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(-c4ccccc4)cc3)nn2)cc1 408533353 QMGNKFOBPGWDHP-UHFFFAOYSA-N 424.500 6.209 0 40 HKAB COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1OC 408624873 CXNZSTIYJLLIQK-UHFFFAOYSA-N 404.491 5.541 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nc2-c2ccccc2)cc1 408696989 DHFBISYBGJZSNE-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 408698764 PHDSMFUPSNNOIG-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB CCN1C(=O)S/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)C1=O 409065382 LFWBNFQLCBPCPG-OEAKJJBVSA-N 412.514 5.899 0 40 HKAB Fc1ccccc1COc1ccc(Br)cc1CNc1ccccc1Cl 409181135 XMWPXWGIDZRARE-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB Cc1ccc(CN2C(=O)N/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)cc1 409245368 RSFCLXGUUDUCEX-KGENOOAVSA-N 420.553 5.389 0 40 HKAB Cc1cccc(CSCC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)c1 693066 SAOPMMJCOVTXCS-UHFFFAOYSA-N 415.518 5.584 0 40 HKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cc2ccccc2o1 703691 HAPIFBUBDSYRFN-UHFFFAOYSA-N 409.438 5.729 0 40 HKAB Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1C 919559 WSDYZVPIEUZRLV-RHSMWYFYSA-N 404.392 5.006 0 40 HKAB O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cccc(Br)c1 974530 HAUGIUMQGCWWDN-UHFFFAOYSA-N 411.230 5.649 0 40 HKAB O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1ccc2c(c1)OCCO2 1085266 OJQVKVZCJCEDFB-UHFFFAOYSA-N 406.825 5.172 0 40 HKAB biogenic,in-vitro Cc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)c3cccs3)cc2c1 1367676 JVZKYSCELVZPBO-UHFFFAOYSA-N 412.967 6.162 0 40 HKAB O=C(O)c1cc(-c2ccc(-c3cccc(C(F)(F)F)c3)o2)nc2ccc(Cl)cc12 1424715 VHWOYJLWLPJPAG-UHFFFAOYSA-N 417.770 6.532 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4ccc(Cl)c(Cl)c4)c(=O)c23)C1 1785002 AYZXVPVKKSGANU-LBPRGKRZSA-N 422.381 5.359 0 40 HKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1cc(Cl)ccc1Cl 2086062 RRCGFGFYAKNISS-UHFFFAOYSA-N 407.300 6.769 0 40 HKAB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)o2)cc1 2169664 CGSKPBYPAJZZMC-CIAFOILYSA-N 421.449 5.525 0 40 HKAB CCCn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2256026 GVVCUCYFALVPAT-UHFFFAOYSA-N 416.590 5.981 0 40 HKAB CCOc1ccccc1Oc1coc2cc(OCc3cccc(Cl)c3)ccc2c1=O 2333037 NTRYYAIJFSRWJA-UHFFFAOYSA-N 422.864 6.216 0 40 HKAB biogenic C[C@H](Nc1ccccc1)[C@H]1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 2405440 RJOCGTBCVRCQJS-KNXBSLHKSA-N 404.897 5.114 0 40 HKAB O=c1oc2c(Cl)cc(Cl)cc2c(-c2ccc(O)cc2)c1-c1cc(O)cc(O)c1 2573869 UMCZRWLBYKBFEU-UHFFFAOYSA-N 415.228 5.551 0 40 HKAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c1 2623033 ZJTOCHULEZMKMN-UHFFFAOYSA-N 418.497 5.060 0 40 HKAB Cc1ccc2[nH]c(SCC(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)nc2c1 2774374 QKEHHZOSGYQDNF-UHFFFAOYSA-N 423.925 6.048 0 40 HKAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccccc2C(F)(F)F)CSC3)c1C 3008326 GZSPDOQARUEMAO-UHFFFAOYSA-N 417.456 5.507 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(C)C)c2)c(C)c1 3215638 PESCCYXEYXSVBA-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB Cc1cc(OCC(=O)Nc2cccc3ccccc23)c2c3c(c(=O)oc2c1)CCCC3 3227572 VVYYRIBWPFYJEV-UHFFFAOYSA-N 413.473 5.151 0 40 HKAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2c(F)cccc2Cl)c2ccccc21 3329334 IZCVWYFDHCPREY-UHFFFAOYSA-N 421.855 5.678 0 40 HKAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC(c1ccccc1)c1ccccc1 3407587 NDIOPIGIBUWJQJ-UHFFFAOYSA-N 415.924 5.413 0 40 HKAB CCN(CC)Cc1cc(OC)ccc1Oc1ncnc2sc3c(c12)CCCCC3 3440142 FFGFXONYQYDSCM-UHFFFAOYSA-N 411.571 5.603 0 40 HKAB Clc1ccccc1[C@@H]1C[C@H](c2ccc(OCc3ccccc3)cc2)n2ncnc2N1 3642320 UPBNHTULMAMQOF-XZOQPEGZSA-N 416.912 5.657 0 40 HKAB CC[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 4107610 PANGGJZAEJRLIT-CQSZACIVSA-N 416.321 5.102 0 40 HKAB Cc1cc2nc(N(Cc3cccnc3)C(=O)CSc3ccccc3)sc2cc1C 4304989 NWDCFCJZXKAQCF-UHFFFAOYSA-N 419.575 5.634 0 40 HKAB Cc1cccc(C(=O)Nc2nnc(COc3ccc(C4CCCCC4)cc3)s2)c1 4503511 DOPXHLMRAZFNNH-UHFFFAOYSA-N 407.539 5.726 0 40 HKAB CCCC(=O)n1nc(NCc2cccc(Cl)c2)nc1NCc1cccc(Cl)c1 4703230 HQRZIRHAOGRFIY-UHFFFAOYSA-N 418.328 5.249 0 40 HKAB COc1ccc(CNc2ncc3c(n2)C[C@H](c2ccc(C(C)(C)C)cc2)CC3=O)cc1 4741294 LDZCJHWTRZWEJI-IBGZPJMESA-N 415.537 5.308 0 40 HKAB O[C@@H](CC1c2ccccc2-c2ccccc21)CN(Cc1ccccc1)Cc1ccccc1 5554224 SDTFOLHRRAPYRQ-VWLOTQADSA-N 419.568 6.252 0 40 HKAB CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@@H](C(C)(C)C)C2 5832691 CBFWAWKCZDESQA-CYBMUJFWSA-N 404.963 5.763 0 40 HKAB Cc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C 5937861 YTNVVDUDPAXHQL-YLJYHZDGSA-N 421.570 5.131 0 40 HKAB CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c1 6387934 ICKOSABKHNWMHO-AWEZNQCLSA-N 422.550 5.909 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)n2-c2ccccc2)c1 6442770 GVFMECQGPWAAII-UHFFFAOYSA-N 419.937 5.871 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(OCc2ccccc2Cl)cc1 7699650 CTMLPSVSVCZTQE-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB COc1ccc(-c2nc(CC(=O)Nc3ccc(N4CCCCCC4)cc3)cs2)cc1 8191193 SGIBHJLFGDMGCN-UHFFFAOYSA-N 421.566 5.380 0 40 HKAB Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)c1 8664953 QEMMJMNSQQJUTP-OAQYLSRUSA-N 416.864 5.208 0 40 HKAB O=C(NCCCc1ccccc1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1 9062749 QUGMERHDPVAHQI-UHFFFAOYSA-N 423.359 5.094 0 40 HKAB Oc1ccccc1-c1nc(/C=C/c2cccs2)nc(Nc2nc3ccccc3o2)n1 9698870 FWURUEQSVYIJGE-VAWYXSNFSA-N 413.462 5.361 0 40 HKAB Nc1c(Cl)cc(NC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)cc1Cl 10431345 LMIMYMXSHYGTPK-UHFFFAOYSA-N 412.223 5.080 0 40 HKAB O=C(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1cc(-c2ccccc2)on1 11915836 OQHXDZKUFXFINB-UHFFFAOYSA-N 408.413 5.571 0 40 HKAB O=C(Nc1ccccc1C(=O)Nc1ccccc1Cl)c1cccc(C(F)(F)F)c1 12375388 ICQUVZKKFJCGPR-UHFFFAOYSA-N 418.802 5.863 0 40 HKAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)NCCC23CC4CC(CC(C4)C2)C3)s1 12995454 GSJNHFBDXHELFN-UHFFFAOYSA-N 412.574 5.523 0 40 HKAB C[C@@H](Sc1nc2ccccc2o1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 13016821 AFTYPRXUUGWBHZ-OAHLLOKOSA-N 419.937 6.733 0 40 HKAB CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 13616374 NWBMDXWRCSBCDF-ISKFKSNPSA-N 404.897 5.981 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1OCc1ccccc1 13687090 XBIRJJGYJZOOQI-UHFFFAOYSA-N 405.803 6.190 0 40 HKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)N1c2ccccc2Sc2ccccc21 13717284 AFQRWSVGEZOANN-UHFFFAOYSA-N 421.736 7.482 0 40 HKAB Cc1nc(COc2cccc(C(=O)N[C@H](c3ccccc3)c3cccs3)c2)cs1 16708914 WMSWPWYFBNKCCK-JOCHJYFZSA-N 420.559 5.611 0 40 HKAB CCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)cc1 16752006 HKMVJMXBFPHMDV-HSZRJFAPSA-N 419.521 5.707 0 40 HKAB CC(C)N(C(=O)Cn1c([C@@H](C)N2CCCCC2)nc2ccccc21)c1ccccc1 16776800 AGMMRIRPIIIXPX-HXUWFJFHSA-N 404.558 5.025 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 17089102 VECWZTOZCHFSGL-CQSZACIVSA-N 412.327 6.377 0 40 HKAB CCc1ccc(C(=O)Nc2cc3nn(-c4ccc(OC)c(Cl)c4)nc3cc2C)cc1 17092493 BQGWACCBRWAWGA-UHFFFAOYSA-N 420.900 5.206 0 40 HKAB CC(C)(C)CC(=O)N[C@@H](C[C@H]1CCCCN1Cc1cccc(F)c1)c1ccccn1 19082760 KTUJFLCRFLYJLH-GGAORHGYSA-N 411.565 5.259 0 40 HKAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cc(Br)ccc1Cl 20138499 LSSJAYKRGWHZMF-UHFFFAOYSA-N 406.663 5.107 0 40 HKAB CCOc1cc(OCC)cc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)c1 20412096 NHOLABIXXZIUSF-UHFFFAOYSA-N 411.498 5.226 0 40 HKAB CC(C)[C@@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(C2CCCCC2)cc1 21584298 IMDCVMLSARQXGN-RUZDIDTESA-N 423.988 5.883 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 24354497 KNQJUVSUKRYJFO-UHFFFAOYSA-N 418.177 5.589 0 40 HKAB COc1ccc(-c2nnc([C@@H](C)N3CCC(CCc4ccc(C)cc4)CC3)o2)cc1 25753749 LEFDQKWSRNORFJ-LJQANCHMSA-N 405.542 5.459 0 40 HKAB Cc1cc2oc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc(=O)c2cc1Cl 27750130 VDDPAZCFEQUXJL-UHFFFAOYSA-N 416.182 5.679 0 40 HKAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSCc1c(Cl)cccc1Cl 30752689 FNGGTFVCJLGFHE-LJQANCHMSA-N 412.382 5.509 0 40 HKAB COc1cccc(-c2nc(C(=O)N3CCC[C@@H]3c3ccc(C)cc3)cs2)c1OC 32754166 TZNMYHMEHUYAHG-LJQANCHMSA-N 408.523 5.113 0 40 HKAB C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 36126889 KWVISVAMQJWJSZ-CAKNJAFZSA-N 413.646 5.287 0 40 HKAB in-vitro CCOc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 38834356 RQBGWZRSGUTCAH-UHFFFAOYSA-N 407.341 5.243 0 40 HKAB C[C@H](NC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F)c1ccccc1 40120563 FNAZBGHYXMZILT-ZDUSSCGKSA-N 417.387 5.433 0 40 HKAB C[C@@H](NC(=O)Nc1ccccc1Cc1ccccc1)c1ccc(NC(=O)C2CC2)cc1 43333944 IBYZZBGYERJJEJ-GOSISDBHSA-N 413.521 5.509 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1 44872985 NLBJRBZKNOBBAH-NRFANRHFSA-N 402.991 5.123 0 40 HKAB Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 44933475 IENGWRYSHIUWHY-INIZCTEOSA-N 405.369 5.391 0 40 HKAB CNc1nc2c(s1)[C@H](c1cccc(OC)c1OCc1ccccc1F)CC(O)=N2 49548240 GMBYOEJLLVMQMW-AWEZNQCLSA-N 413.474 5.035 0 40 HKAB COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c(OC)c1 57314133 RZNGVZPPSNEMKI-UHFFFAOYSA-N 416.477 5.888 0 40 HKAB O=C(NCc1ccccc1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 66136551 HNAJYJMMBXLVBP-UHFFFAOYSA-N 410.433 5.472 0 40 HKAB O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 72357992 JRXBIENBHDNVHD-QHCPKHFHSA-N 408.904 5.371 0 40 HKAB CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)c1ccccc1 72370467 MSCUZRRGODQJJV-IBGZPJMESA-N 420.578 5.277 0 40 HKAB CCC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1cc2cc(OC)ccc2nc1Cl 79047213 RSNFXEBXSNFVGG-FQEVSTJZSA-N 411.864 5.124 0 40 HKAB Cc1c(-c2nnc3sc(-c4ccc(Cl)c(Cl)c4)nn23)oc2ccccc12 96194145 IYGUACGMNHXHDM-UHFFFAOYSA-N 401.278 5.881 0 40 HKAB COc1c(C)cc(Br)cc1C(=O)NC12CC3C[C@](C)(C1)C[C@](C)(C3)C2 101195891 JGWRMSDWEXLKIK-FMXWSCRGSA-N 406.364 5.245 0 40 HKAB C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2 106672061 YRHOVLVBPQGPQJ-YZVAWVHESA-N 419.956 5.747 0 40 HKAB CC(C)CC[C@@H](O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913527 RZPAXNJLEKLXNO-RNCHBCSGSA-N 402.663 6.360 0 40 HKAB in-vitro CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118935382 WHZUCKVXGABTPN-VFGXHBSASA-N 413.734 7.958 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)CC(C)(C)O2 219130565 UDVKFYBMQXWWJY-DEOSSOPVSA-N 415.533 5.636 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 222938269 GXZFBQORPVEZMF-FCHUYYIVSA-N 409.570 5.869 0 40 HKAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccccc2SCc2ccccc2)c1 223628872 ORQBYUDGZKLYHM-QGZVFWFLSA-N 407.535 5.487 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccccc1Cl 224133750 HNTFWRXDDPJECE-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 224616141 MIFXNYKMBUFWDA-DHIUTWEWSA-N 413.502 5.224 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)cc1Cl 225274667 KHJPJUGOCHWSSG-OAQYLSRUSA-N 415.917 5.192 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc(C)c1Cl 225630509 PVMFZMBFNWQPQM-GFCCVEGCSA-N 422.337 5.535 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccccc2Br)cc1N1[C@H](C)CCC[C@H]1C 226330061 QSUCHTZQTKEHGA-HUUCEWRRSA-N 416.363 5.359 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 408574566 SAJBRDKPZNWANP-SDNWHVSQSA-N 424.431 6.546 0 40 HKAB CN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408624226 VBCJSQQTFVSHDJ-UHFFFAOYSA-N 402.881 5.101 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 408992653 ASZBRNSLKIJENY-BVSLBCMMSA-N 409.407 5.875 0 40 HKAB CC(C)Cn1c(SCCOc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 409097171 FZGRNTIPSDRAGS-UHFFFAOYSA-N 422.381 6.079 0 40 HKAB COc1ccc(-c2ccc(C(=O)O)c(COc3ccc(C)cc3)n2)c(OC(C)C)c1 585265764 QYVKACYAZOPSNR-UHFFFAOYSA-N 407.466 5.130 0 40 HKAB COC(=O)c1ccc(-c2ccc(-c3ccc(-c4ccc(C(=O)OC)cc4)cn3)nc2)cc1 1903938627 KOAHWYFSYKTKKE-UHFFFAOYSA-N 424.456 5.051 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)NCc4ccc(Cl)cc4)sc3n2)c1 661298 RXFRPDBUNFLLMH-UHFFFAOYSA-N 423.925 5.138 0 40 HKAB aggregator CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1C1CCCCC1 882940 NWZXEDQYDQHSBY-UHFFFAOYSA-N 413.374 5.383 0 40 HKAB CCCc1nc(SCC(=O)N2c3ccccc3C[C@@H]2C)c2c(C)c(C)sc2n1 1372203 LSZQUPRZSNNOKU-ZDUSSCGKSA-N 411.596 5.331 0 40 HKAB Cc1cccc2cc(CN(Cc3ccco3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c12 1378186 PPCPCBMASANDTP-UHFFFAOYSA-N 421.884 5.317 0 40 HKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4Cl)cc3n2)cc1 1837349 AFMGVVJEBTWMHZ-UHFFFAOYSA-N 418.928 5.977 0 40 HKAB O=C(Nc1nc2ccccc2s1)c1cc(-c2ccccc2Cl)nc2ccccc12 2084515 OMLTZQGVAUYPFH-UHFFFAOYSA-N 415.905 6.417 0 40 HKAB O=C(OCc1ccccc1)/C(=C/c1cccc2ccccc12)NC(=O)c1ccccc1 2279260 MVSGOROJTXWLIM-BWAHOGKJSA-N 407.469 5.354 0 40 HKAB aggregator CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)ccc12 2322126 PFBRLTVKBVAWHF-UHFFFAOYSA-N 406.265 5.070 0 40 HKAB Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2cccc(Br)c2)c1 3061671 PBKWVVXTHNFSBI-QFIPXVFZSA-N 420.350 6.011 0 40 HKAB Cc1c(Cl)cnc(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)c1Cl 3286678 MZGOWZNPZKLNGU-UHFFFAOYSA-N 401.334 5.031 0 40 HKAB O=C(OCc1ccc(Cl)cc1Cl)c1ccccc1C(=O)c1ccc(Cl)cc1 3312995 MHXKFYWRCJLBCX-UHFFFAOYSA-N 419.691 6.235 0 40 HKAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccccc1Cl 3320333 AURQKGNXWMKJQN-UHFFFAOYSA-N 420.921 5.073 0 40 HKAB Cc1ccc(C(C)C)cc1Oc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 3329971 DMNTUMWUOUJUHI-UHFFFAOYSA-N 415.562 6.856 0 40 HKAB COc1ccc(NCc2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1 4114834 MLARORNNLALCAJ-UHFFFAOYSA-N 407.901 5.389 0 40 HKAB Cc1ccc2nc(NC(=O)CSc3nc(-c4ccccc4C)ns3)sc2c1 4167491 PNZGPSKRPBENEO-UHFFFAOYSA-N 412.565 5.162 0 40 HKAB O=c1[nH]c(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)nc2ccccc12 4251652 YQNGCMDFSLOMNL-UHFFFAOYSA-N 411.486 5.537 0 40 HKAB CC[C@H](C1=Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1)N1CCCCC1 4480476 SCFFJCMCBMMWBD-AREMUKBSSA-N 410.561 6.303 0 40 HKAB COc1ccc([C@@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2C(=O)C(C)(C)C)cc1 4816883 FMBDJPAHUUUOAB-PMACEKPBSA-N 424.932 5.054 0 40 HKAB CSc1cccc(C(=O)N(CCN(C)C)c2nc3c(C)ccc(Cl)c3s2)c1 5242695 JIQDSNVGYSKOCP-UHFFFAOYSA-N 420.003 5.188 0 40 HKAB C[C@H](Oc1ccc(Br)cc1)C(=O)NC(c1ccccc1)c1ccccc1 6289046 CPHLKZUQVCHIDW-INIZCTEOSA-N 410.311 5.122 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3)oc2c1 6302140 FTJUNHCWQRTJAM-UHFFFAOYSA-N 420.896 6.253 0 40 HKAB CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc1 6571989 MNCABEXSEDNYIM-MWOKCAKWSA-N 421.625 5.719 0 40 HKAB biogenic Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 6960078 BMABLJJCDVCNJF-UHFFFAOYSA-N 403.444 6.071 0 40 HKAB COc1ccc(CCNCc2cc(Cl)c(OCc3cccs3)c(OC)c2)cc1 7539927 ZSLSJBJILAFNJG-UHFFFAOYSA-N 417.958 5.330 0 40 HKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1Cl 7881775 OPNPAFXTNGGEEW-QGZVFWFLSA-N 420.896 5.432 0 40 HKAB CCOC(=O)c1c(NC(=O)c2sc(-c3ccccc3)nc2C)sc(C)c1C 7996080 DYKHHFBEZXBQLL-UHFFFAOYSA-N 400.525 5.226 0 40 HKAB CCc1n[nH]c(=S)n1NCc1c(OCc2ccccc2F)ccc2ccccc12 8338988 YQCJSMXZRCJENY-UHFFFAOYSA-N 408.502 5.118 0 40 HKAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)n1C 9957016 AMLHAUUQOIVUIU-LBPRGKRZSA-N 421.353 5.217 0 40 HKAB CC[C@@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccc(Cl)cc1 10426075 YNWWMEAHZXMSCB-MRXNPFEDSA-N 410.930 5.081 0 40 HKAB CSc1ccc([C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(F)cc2)cc1 12365014 TUAYFDYEFMNXJQ-XMMPIXPASA-N 421.581 7.271 0 40 HKAB C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 12566666 RQOIEPALVVSQJW-VIFPVBQESA-N 416.877 6.088 0 40 HKAB CC(=O)c1ccc(OCCCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 12585747 IHVSUNAUJQJZFQ-IBGZPJMESA-N 401.506 5.593 0 40 HKAB Cc1cccn2cc(CSc3nnc(-c4cccs4)n3-c3ccccc3)nc12 12659284 CSWWOWYEYCTLQU-UHFFFAOYSA-N 403.536 5.244 0 40 HKAB O=C(O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 13149935 NWYBYEJFNSXAAJ-UHFFFAOYSA-N 422.893 5.030 0 40 HKAB CCOc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2)Nc2nc3ccccc3n21 13810757 CDZOLELNRWLXCS-RBBKRZOGSA-N 403.913 6.235 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccc(Cl)cc1Cl 14070100 CCOIXIDWQXHBRZ-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB CCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc4[nH]c(C)c(C)c4c3)n2)cc1 14129198 SSGLIZUBYVNJLG-UHFFFAOYSA-N 418.522 5.509 0 40 HKAB CCN(Cc1ccc(Cl)s1)C(=O)c1cc(Cl)c(OC(C)C)c(OC)c1 14182277 RNQPQJBOIQOFSZ-UHFFFAOYSA-N 402.343 5.513 0 40 HKAB Cc1ccc(COc2c(Cl)cc(/C=C3/C(=O)Nc4ccccc43)cc2Cl)cc1 15011359 FOOGHTUIJYBOGN-VCHYOVAHSA-N 410.300 6.374 0 40 HKAB CCc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1 16162021 NRFCYOPADNKCGS-UHFFFAOYSA-N 400.478 5.692 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 16282642 NHIURYLJNPUZRM-UHFFFAOYSA-N 420.537 7.191 0 40 HKAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1 17087847 BJVILPBIZCBKAC-UHFFFAOYSA-N 408.310 5.594 0 40 HKAB Brc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 20025312 NYUDZEZRDNMPMI-UHFFFAOYSA-N 407.296 5.460 0 40 HKAB Cc1cccc(NC(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 20503172 IWPRIMDUKNIZGM-UHFFFAOYSA-N 421.491 5.212 0 40 HKAB CCOC(=O)c1c(-c2ccco2)csc1NC(=O)c1ccccc1Br 24864624 ZLWCCKADZIXAQW-UHFFFAOYSA-N 420.284 5.200 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3cccs3)N3CCCC3)sc2c1 27584171 ZPQUHRVAQXOOJW-HNNXBMFYSA-N 404.988 5.492 0 40 HKAB Cc1ccc2c(C)c(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)oc2c1C 27662340 YJIYZJJGQVXBHX-JOCHJYFZSA-N 424.972 5.968 0 40 HKAB O=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1ccc(Br)o1 32594125 NWWHLKBCKRNOGU-UHFFFAOYSA-N 410.227 5.011 0 40 HKAB Cc1ccc(SC[C@@H]2CSc3nc(=O)c4c5c(sc4n32)CCCC5)cc1 32594515 LPBBXMFNTIMQRD-CYBMUJFWSA-N 400.594 5.084 0 40 HKAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCC[C@@H]3c3cccs3)c12 32870622 MTMGTFYCBBBWHJ-GOSISDBHSA-N 407.470 5.376 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(OCc2cn3cccc(C)c3n2)c1 32899992 VMXPUNKNHFDPPT-UHFFFAOYSA-N 413.521 5.906 0 40 HKAB Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2C)n1 44086695 VGVDHXIVMGDUOX-UHFFFAOYSA-N 420.563 5.343 0 40 HKAB COc1ccc(CN2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)c(C)c1C 57774523 PFNPUWNVOMANEB-UHFFFAOYSA-N 417.475 5.587 0 40 HKAB O=c1[nH]c(CN2CCC[C@H]2c2cccs2)nc2scc(-c3ccc(F)cc3)c12 58160094 SQBBNPAFAQKSHU-INIZCTEOSA-N 411.527 5.189 0 40 HKAB CCc1cccc(C)c1NC(=O)N1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 58392319 IQWXOJLIDJVMNM-OAQYLSRUSA-N 410.558 5.594 0 40 HKAB Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(O)C[C@H](c3ccc(F)cc3)CC1=N2 102680207 FAWIFIRAZBCDOR-ASSNKEHSSA-N 410.399 5.069 0 40 HKAB COc1ccc(OC)c([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3onc(C)c32)c1 102729072 FCYXDLYOANEAGA-MWTRTKDXSA-N 416.477 5.608 0 40 HKAB Cc1ccc(C)c(NC2=C[C@@H](c3ccc(F)cc3)N(c3cc(C)ccc3C)C2=O)c1 103670343 DALUQYVXUUIISZ-VWLOTQADSA-N 400.497 6.143 0 40 HKAB CN1CCC(CCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 110406864 NDNIECMMZDWCPG-UHFFFAOYSA-N 402.991 5.094 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)c1c(-c2ccccc2)cc2ccccn12 111871362 DNTWTNNFQWGPFS-UHFFFAOYSA-N 409.272 5.735 0 40 HKAB O=C(Cc1ccccc1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 201058706 OHQXSYRBTVXHGG-UHFFFAOYSA-N 415.496 6.145 0 40 HKAB O=C(COc1ccc2c(c1)CCCC2)Nc1cc(Cl)ccc1Oc1ccccc1 224202393 JTQMADHAYRFGHG-UHFFFAOYSA-N 407.897 6.029 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)c1 224293472 JNOZQLOUZOJIIV-BJKOFHAPSA-N 416.594 5.629 0 40 HKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3cccc4ccccc34)c2)cc1 224303193 XCKXOCOHSWRRPM-UHFFFAOYSA-N 413.473 5.688 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccccc1C(C)(C)C 224508629 JFTFABPIALRSGY-UHFFFAOYSA-N 417.549 6.523 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1CSc1ccccc1 224657666 PNYCFNIEBNALSX-FQEVSTJZSA-N 419.590 6.129 0 40 HKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3c(C)cc(OC)cc3C)ccc21 225484356 KAKXABDROQZQGG-UHFFFAOYSA-N 408.523 5.241 0 40 HKAB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1C(=O)OCC 225823444 KBFVGICSLDWRPB-UHFFFAOYSA-N 421.578 5.458 0 40 HKAB COc1c(Cl)cc(-c2nc3ccc(NC(=O)C(F)(F)F)cc3o2)cc1Cl 226271929 JMIDDSDWLQRVKY-UHFFFAOYSA-N 405.159 5.311 0 40 HKAB CCN(C(=O)C(F)(F)F)c1ccc(NC(=O)c2cc3ccccc3o2)c(Cl)c1 226285604 OEBZVXWXFHNARM-UHFFFAOYSA-N 410.779 5.254 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@]12C 253504561 HKHHYUSFWJROEJ-OZXJBWNJSA-N 404.679 6.584 0 40 HKAB biogenic,in-vitro CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3ccccc3)N[C@H]2c2ccc(Cl)cc2)n1 257204145 ATFGFYHBTDIYNK-BVSLBCMMSA-N 422.960 5.117 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](N(C)C)CC[C@]4(C)[C@@H]3CC[C@@]12C 257350321 WHZUCKVXGABTPN-YUDVVNNISA-N 413.734 7.958 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccc(CN4CCC[C@H](C)C4)cc3)ccc21 260902598 SWDPZUODZXAHQL-KRWDZBQOSA-N 423.582 5.128 0 40 HKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3C4=CC[C@H]([C@@H]5COC(=O)C5)[C@@]4(C)CC[C@H]32)C1 263606864 RIXRDVKJMJLULT-YFJZQRPZSA-N 400.559 5.060 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2cccc(Cl)c2)cc1 408696962 CTJRZTPVIXJZAW-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccccc2)c1 408696993 DIUKSXWWSMGZSF-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Oc1nc(-c2cn(Cc3ccccc3)c3ccccc23)nc2sc3c(c12)CCCC3 408735417 RREMLGQWISBNQQ-UHFFFAOYSA-N 411.530 5.946 0 40 HKAB CC(C)c1ccc(/C=C2\N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)cc1 408972144 SRNBFSZEQCSVAB-SXGWCWSVSA-N 416.329 6.676 0 40 HKAB Cc1cccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1 409116699 KACFOEMJXQIBJJ-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1ccc(C)c(NCc2cc(Br)ccc2OCc2cccc(F)c2)c1 409135556 RDQPQUIAEUSUOZ-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB C[C@H](NC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)c1nc2ccccc2n1C(F)F 648441107 QPWZPRFFRJIESZ-QGOOBGLHSA-N 401.501 5.605 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 1848355111 DEENXPBKRZDDCK-RUZDIDTESA-N 413.496 5.199 0 40 HKAB Nc1c(C(=O)c2ccccc2)sc2nc(-c3cccs3)cc(-c3cccs3)c12 756922 CPWOUKRULVKPMA-UHFFFAOYSA-N 418.568 6.567 0 40 HKAB C[C@H]1CCc2c(sc3nc(C4CC4)n4c(SCc5ccccn5)nnc4c23)C1 1339702 JYIZFKLDDZZORL-LBPRGKRZSA-N 407.568 5.029 0 40 HKAB COc1ccc(C(=O)Oc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)cc1 1389729 FGSQVTDXQDNWPL-UHFFFAOYSA-N 421.802 5.572 0 40 HKAB CCOC(=O)c1c(Nc2cc(C)cc(C)c2)nnc(-c2ccccc2)c1-c1ccccc1 1911194 RBNKHERIMIOKMW-UHFFFAOYSA-N 423.516 6.348 0 40 HKAB aggregator CCCCCSc1nnc2c(n1)O[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1-2 2084669 DZSYTOOTSOJRNY-HXUWFJFHSA-N 422.510 5.053 0 40 HKAB Cc1oc2cc3oc(=O)c(CCC(=O)NCc4ccc(Cl)cc4)c(C)c3cc2c1C 2093796 WPYNDZWRIVLOHY-UHFFFAOYSA-N 423.896 5.367 0 40 HKAB biogenic Cc1ccc(N2COc3c(cc4c(-c5ccccc5)cc(=O)oc4c3C)C2)cc1F 2158860 HMBQMHHMTADXBR-UHFFFAOYSA-N 401.437 5.572 0 40 HKAB biogenic CC(C)CCOc1ccc(C(CC(=O)c2ccccc2)CC(=O)c2ccccc2)cc1 2295532 MLBWAXKLDVAKEQ-UHFFFAOYSA-N 414.545 6.741 0 40 HKAB CCn1c(NC(=O)c2ccccc2)c(-c2ccccc2Cl)c(=O)c2ccccc21 2340111 QWGILMRSOWVCQV-UHFFFAOYSA-N 402.881 5.594 0 40 HKAB CC[C@@H](C)COC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 2392412 HFASIJOIKAKQEO-CYBMUJFWSA-N 408.889 5.012 0 40 HKAB Cc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 2405392 AKGYQTIUOBOJAE-QHCPKHFHSA-N 410.473 5.171 0 40 HKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)N1CCc2ccccc21 2642564 PZTFBZSLPADQDN-UHFFFAOYSA-N 415.493 5.117 0 40 HKAB Cc1csc(NC(=O)/C(=C/c2ccc(F)cc2)c2ccc(-c3ccccc3)cc2)n1 3213678 KINJRMBBOLTJTM-HZHRSRAPSA-N 414.505 6.437 0 40 HKAB O=C1OC(c2cccc3ccccc23)=N/C1=C\c1cccc(OCc2ccccc2)c1 3663212 MEMVVNOAVPCWLM-UQQQWYQISA-N 405.453 5.763 0 40 HKAB Cc1cccc(C)c1NC(=O)NCc1c(Cl)cccc1-n1ccc2ccccc21 4054833 KSZAELSLOBESMB-UHFFFAOYSA-N 403.913 6.222 0 40 HKAB Cc1cc(-c2cccnc2)c2c(N)c(C(=O)C34CC5CC(CC(C5)C3)C4)sc2n1 4074884 ICNFPYCUFSBJTA-UHFFFAOYSA-N 403.551 5.648 0 40 HKAB COc1cccc(OCCSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 4548895 ANSOHVUZPDHREX-UHFFFAOYSA-N 402.519 5.923 0 40 HKAB Cc1ccccc1NC(=O)OCCCCCCCCOC(=O)Nc1ccccc1C 4551367 DSYHJIHATIQMIH-UHFFFAOYSA-N 412.530 6.441 0 40 HKAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(Oc2ccccc2)c1 4731438 IETKXVASRIOTQI-QHCPKHFHSA-N 411.461 5.291 0 40 HKAB O=C(Nc1ccc(C2CCCCC2)cc1)c1cc2sccc2n1Cc1ccccc1 4970940 QXASBLXWUPPMEE-UHFFFAOYSA-N 414.574 7.051 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2ccccc2Cl)C(=O)Nc2ccc(C)cc2C)cc1 5012046 JZXJWKPIPVJMKW-HAHDFKILSA-N 418.924 5.675 0 40 HKAB CC[C@@H](C)COC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 5030311 ZELHPOLDVWUPCS-CYBMUJFWSA-N 408.889 5.012 0 40 HKAB O=C(Nc1nnc(-c2ccc(Cl)c(Cl)c2)s1)C12CC3CC(CC(C3)C1)C2 5175570 IQHQQLMVXUFGSJ-UHFFFAOYSA-N 408.354 5.667 0 40 HKAB O=c1cc(-c2ccccc2)c2cc3c(-c4ccc(Cl)cc4Cl)coc3cc2o1 5235477 URDHYJSREYBYSU-UHFFFAOYSA-N 407.252 7.180 0 40 HKAB Cc1ccccc1OC[C@H](O)CN(Cc1cccs1)C12CC3CC(CC(C3)C1)C2 5867253 CFUDVZQSUZGFRZ-APNVUFTPSA-N 411.611 5.267 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2ccc(C)c(C)c2)cc1OCC 6138752 MQLZUOFTLKIXNA-UHFFFAOYSA-N 406.320 5.506 0 40 HKAB COc1ccc2c(c1)C(c1ccc(C(F)(F)F)cc1)=NNC(c1cccs1)=N2 6200088 USFHKUBQUJXYKQ-UHFFFAOYSA-N 401.413 5.209 0 40 HKAB C[C@H](SC1CCCC1)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 6784794 KNMVOHODYSWASJ-JTQLQIEISA-N 401.384 6.120 0 40 HKAB CCc1cccc(N[C@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)c1 6794651 HYSZNOIRDGLSJA-OAQYLSRUSA-N 407.876 6.293 0 40 HKAB FC(F)(F)c1cc(-c2ccccc2)nc(SC[C@@H]2COc3ccccc3O2)n1 6829708 HLXHAPWEZGAYCZ-AWEZNQCLSA-N 404.413 5.095 0 40 HKAB Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3CCC3CCCCC3)CC2=O)c1 7278090 SQZYTSAUSCUUDK-JOCHJYFZSA-N 415.581 6.144 0 40 HKAB Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)cs2)cc1 8314637 MWAUZJXCKMORIF-QGZVFWFLSA-N 419.575 5.748 0 40 HKAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(C2SCCCS2)cc1 8430570 DJEGPBIJRYFGJK-UHFFFAOYSA-N 412.624 5.081 0 40 HKAB Cc1ccc(-c2csc3ncnc(SCC(=O)N[C@@H](C)c4ccccn4)c23)cc1 9118104 KBGQIKKXKUQJDA-HNNXBMFYSA-N 420.563 5.031 0 40 HKAB COc1ccc(Cc2nnc(S[C@H](C(=O)c3ccccc3)c3ccccc3)o2)cc1 9145977 AUPYLPDPRWGYOM-QHCPKHFHSA-N 416.502 5.385 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(Cl)c2)c1 9345341 QVCFFHYBDOKSJT-LADGPHEKSA-N 423.343 6.853 0 40 HKAB C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@H]2Nc2cccc(C(F)(F)F)c2)[C@@H]1C 9435158 VLHAVWYOZFHRAG-RPQNVMPDSA-N 406.492 5.981 0 40 HKAB Brc1cccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)o2)c1 9643454 XOYVXZLEPFXAKJ-UHFFFAOYSA-N 414.284 5.446 0 40 HKAB O=C(c1ccc(Cl)s1)N(CCCn1ccnc1)c1nc2c(F)cccc2s1 10337715 RYEVIZVYOGUZBU-UHFFFAOYSA-N 420.922 5.084 0 40 HKAB CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(C)s1)c1cccs1 11150573 DIHYXXOSSUIEKO-HNNXBMFYSA-N 419.959 5.039 0 40 HKAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccccc1Oc1ccccc1 11475338 VJDYJBSGKNPBFD-UHFFFAOYSA-N 402.425 5.844 0 40 HKAB CN(Cc1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccco1 11667120 SSERKXWWSBBYNF-UHFFFAOYSA-N 401.510 5.247 0 40 HKAB CN(Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1)Cc1ccccc1Cl 12866274 BUTYFRARBGFVKA-UHFFFAOYSA-N 413.905 5.076 0 40 HKAB Cc1cc(C)c(NC(=O)CN[C@H](c2ccc(F)cc2)c2cccs2)c(Cl)c1 12910998 GAAGHUVXMCOFGS-OAQYLSRUSA-N 402.922 5.475 0 40 HKAB COc1ccc2c(c1)/C(=C1\N=C(c3ccc(F)cc3)OC1=O)C=C(c1cccs1)O2 13609285 COZCCMLUUACUGQ-FXBPSFAMSA-N 419.433 5.044 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1OCc1ccccc1 13687384 UGFFNEQNOINZCE-UHFFFAOYSA-N 405.803 6.190 0 40 HKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)cc1 14069832 BUJIFVKCHGDWHZ-UHFFFAOYSA-N 421.353 5.082 0 40 HKAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nc(-c3cccs3)n[nH]2)c1 14070513 KDMZBUQRPWQUGO-UHFFFAOYSA-N 420.563 5.167 0 40 HKAB Cc1ccc(-c2ccsc2C(=O)O[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 14186205 HLFFGVATOOBTOX-OAHLLOKOSA-N 413.926 5.239 0 40 HKAB O=C1C[C@@H](c2cc(F)cc(F)c2)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15081850 POXAXAOCXQMSMH-AWEZNQCLSA-N 403.381 5.005 0 40 HKAB O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(Cc1ccccc1)CO3 19882332 VYCQXPNLCFWTLW-UHFFFAOYSA-N 403.865 5.466 0 40 HKAB Cc1ccc(CNc2c(S(=O)(=O)c3ccccc3)cnc3ccc(F)cc23)cc1 23114522 WXDQMDXGCOYPAN-UHFFFAOYSA-N 406.482 5.127 0 40 HKAB COc1ccccc1-c1csc(NC(=O)COc2cc(Cl)ccc2Cl)n1 28232786 YRSGAALWTCIPIX-UHFFFAOYSA-N 409.294 5.143 0 40 HKAB CC(=O)Nc1nc(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cs1 29273167 SHWOXBFBNMHRGP-UHFFFAOYSA-N 406.536 5.451 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)NC2CCCCC2)CC1 35313671 IIJNHOCBQMKAPI-UHFFFAOYSA-N 421.541 5.172 0 40 HKAB O=C1N/C(=N/c2cccc3ccccc23)S/C1=C/c1cccc(Br)c1 35647547 YVTCMHNJVAQEOC-LDADJPATSA-N 409.308 5.494 0 40 HKAB Cc1ccc(-c2nc(NC(=O)Cc3ccccc3)sc2NC(=O)c2ccco2)cc1 35671441 JBKRQGHIIBUSFN-UHFFFAOYSA-N 417.490 5.145 0 40 HKAB CCSc1ccccc1NC(=O)COc1ccc(Cl)cc1Br 38757003 QCFVTCBDESFPLC-UHFFFAOYSA-N 400.725 5.232 0 40 HKAB Cc1ccc(CN2CCC(C(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1 39755955 HRGGKSMLWVMDEP-UHFFFAOYSA-N 400.522 5.638 0 40 HKAB O=C(c1cc(Nc2ccc(Br)cc2)c2ccccc2n1)N1CCCCC1 44169614 VURNXYFUMSMKNW-UHFFFAOYSA-N 410.315 5.367 0 40 HKAB c1ccc(CN2CCC[C@@H]2[C@@H]2CCCN2Cc2cnc(-c3ccccc3)s2)cc1 89834931 ZAJOAPUCLDCJCJ-RPWUZVMVSA-N 403.595 5.439 0 40 HKAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccc(O)cc2)C[C@@H](c2ccc(Cl)cc2)C1 102739286 RUIWBTOVXBTOHA-BFUOFWGJSA-N 408.845 5.058 0 40 HKAB O=C(Sc1nnc(Cc2ccc(Cl)cc2)o1)c1ccc(Br)cc1 107860967 DIDADFQEHNMZIY-UHFFFAOYSA-N 409.692 5.009 0 40 HKAB CCOP(=O)(OCC)C(F)(F)[C@H](O)c1ccc(OCc2ccccc2)cc1 140363968 ISUAYKFGGUHXTN-GOSISDBHSA-N 400.358 5.158 0 40 HKAB COc1ccc(-c2ncc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(C)n2)cc1 222576562 BCMCFZLEROTJDE-UHFFFAOYSA-N 421.806 5.385 0 40 HKAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)cc1OCC 222928701 GBXQEVLZRYRFCY-NRFANRHFSA-N 413.558 5.255 0 40 HKAB CCCCOCc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OC 224438725 OKDWPHADISZSIR-UHFFFAOYSA-N 405.494 6.057 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1nnc(-c2ccccc2)s1 225503834 KIJSKIUZYCGICC-UHFFFAOYSA-N 410.351 5.384 0 40 HKAB CC[C@@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)cc1C 225585268 OSDZHNVBMOGCMD-LJQANCHMSA-N 411.542 5.176 0 40 HKAB CCC1(CC)C[C@H](NC(=O)c2ccccc2CCc2ccccc2)c2ccccc2O1 225733744 ITMQANZZZRHTKH-VWLOTQADSA-N 413.561 6.284 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1snnc1-c1ccc(Br)cc1 225786081 HNXCAXGSEXSVHA-UHFFFAOYSA-N 416.344 5.345 0 40 HKAB COc1ccccc1/C=C1\N=C(c2sc3cc(Cl)ccc3c2Cl)OC1=O 408971915 LXJUWIFQWFFVEB-JYRVWZFOSA-N 404.274 5.561 0 40 HKAB CC[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C1=O 409009333 DHTXINNHFVZBMQ-OKHBPPCESA-N 406.301 5.544 0 40 HKAB CC(C)(C)[C@@H]1COC(c2cccc3c2oc2c(C4=N[C@H](C(C)(C)C)CO4)cccc23)=N1 1988182082 ZNOKFCCBAVCIIJ-PMACEKPBSA-N 418.537 5.969 0 40 HKAB CC(C)CC(=O)NC(=S)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 724368 NHSATEHRVYUQLM-UHFFFAOYSA-N 422.337 5.661 0 40 HKAB Cc1ccccc1OCCn1c(SCc2nc3ccccc3[nH]2)nc2ccccc21 805568 ICXDECLFKGTGDB-UHFFFAOYSA-N 414.534 5.592 0 40 HKAB Cc1cc(Oc2coc3cc(OC(=O)c4ccccc4)ccc3c2=O)cc(C)c1Cl 1775115 JZXSKJKJJDDAIJ-UHFFFAOYSA-N 420.848 6.075 0 40 HKAB CCCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 1805663 KBWDNUSTZHNKBZ-UHFFFAOYSA-N 408.527 5.563 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C)c5ccccc45)cc3)sc2c1 2052020 VNYYUCFYVXMHGF-UHFFFAOYSA-N 408.526 6.986 0 40 HKAB CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 2321934 HKOYNSHACORNSJ-CQSZACIVSA-N 416.612 5.885 0 40 HKAB CC(C)Cc1ccc(/C=C/C(=O)Nc2ccc(I)cc2)cc1 2383621 JIODEQOTVBVJNZ-KPKJPENVSA-N 405.279 5.142 0 40 HKAB COc1ccc(NC(=O)CSc2c(-c3ccccc3)[nH]c3ccccc23)c(OC)c1 2718353 RWCUWWZSUJSQTN-UHFFFAOYSA-N 418.518 5.583 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccc3n2)cc1C 2740191 RDWTWYMUXYKHJR-UHFFFAOYSA-N 400.909 6.733 0 40 HKAB O=C(C[C@H](Nc1cccc(Cl)c1)c1ccc(Br)cc1)c1ccccc1 3096289 OQTXRMQEWWBPHX-FQEVSTJZSA-N 414.730 6.529 0 40 HKAB O=S1(=O)c2ccccc2N[C@@H](c2ccc(Cl)cc2Cl)N1Cc1ccccc1 3296171 NFSSHOHMOWQHSU-HXUWFJFHSA-N 419.333 5.309 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2csc(-c3ccccc3)n2)c2ccccc2)cc1 3302144 JILYNUMGYGZZAR-UHFFFAOYSA-N 420.559 5.514 0 40 HKAB CCC[C@@H](CNC(=O)CSc1nc(C)cs1)c1ccc(Cl)cc1Cl 3312038 DRORAPLPUKQIHH-LBPRGKRZSA-N 403.400 5.551 0 40 HKAB O=C(OCc1c(F)cccc1Cl)c1ccccc1OCc1ccccc1Cl 3314186 QAQQBXZAJYNOTC-UHFFFAOYSA-N 405.252 6.069 0 40 HKAB C[C@H](Sc1ncnc2sccc12)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3430002 PITMBBNCKAMXFC-ZETCQYMHSA-N 418.758 5.771 0 40 HKAB CCC(=O)N(CC[C@@]1(c2ccccc2OC)CCO[C@H](C(C)C)C1)Cc1ccccc1 4043604 MSKPBDGFSCBHIQ-AHKZPQOWSA-N 423.597 5.597 0 40 HKAB biogenic CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(CN3CCCCC3)cc2)cc1 4122647 XLHGOLNHHGWGMX-UHFFFAOYSA-N 409.599 5.097 0 40 HKAB Cc1ccc2nc(-c3ccccc3)nc(SCC(=O)c3c[nH]c4ccccc34)c2c1 4161688 WVVGELIBCVYDMX-UHFFFAOYSA-N 409.514 6.062 0 40 HKAB C[C@H]1CC2=C(NC(=S)N[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 4497998 WTAKRSLFOYPHNB-ZSWMVCLDSA-N 415.389 6.280 0 40 HKAB Cc1sc2nc(SCc3ccccc3Cl)n(Cc3ccco3)c(=O)c2c1C 5046994 JFQHKNZKZVMBOY-UHFFFAOYSA-N 416.955 5.662 0 40 HKAB CSc1ccc2nc(Nc3nc4ccc5nc(C)sc5c4s3)sc2c1 5122743 GOUIUERENWNYTO-UHFFFAOYSA-N 400.579 6.290 0 40 HKAB Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 5278522 QRSRGYUDRFUWCG-CVDCTZTESA-N 404.853 5.311 0 40 HKAB Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1[C@H](C)c1ccccc1 6097016 LMWDOTPOYCCVCK-QGZVFWFLSA-N 408.571 5.007 0 40 HKAB COc1ccc(-c2c/c(=N\c3ccc4c(c3)OCO4)c3cc(OC)ccc3o2)cc1 6760629 NGAWMOSYCFWOBL-LKUDQCMESA-N 401.418 5.078 0 40 HKAB O=C(CSc1ccc(F)cc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 6889233 SZHPKFOUXLTKJZ-LJQANCHMSA-N 414.889 5.542 0 40 HKAB Cc1ccc(NC(=O)CSC2=NC3(CCCCC3)Nc3ccccc32)c(Cl)c1 6902048 OWQTZNZEXQLOQN-UHFFFAOYSA-N 413.974 5.853 0 40 HKAB CCOc1cc(-c2nc3ccccc3s2)ccc1OCCOc1ccc(C)cc1 6961174 WSWPFBIFMZCZMM-UHFFFAOYSA-N 405.519 6.128 0 40 HKAB C[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl 9019843 GGIUEWIUBMISMD-OAHLLOKOSA-N 424.331 5.882 0 40 HKAB COc1ccc(C)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1 9266616 OABMGXTUMYCMPJ-UHFFFAOYSA-N 412.493 5.176 0 40 HKAB C[C@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2n1Cc1cccc(Cl)c1 9370218 PDQGNXYOFADOQS-HNNXBMFYSA-N 424.331 5.882 0 40 HKAB CCc1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccc(C)cc3)on2)cc1 11916467 FJEMYKNCIQQNMV-UHFFFAOYSA-N 400.478 5.648 0 40 HKAB CC(C)(C)c1ccc(CN2C(=O)S/C(=C/c3cccc(C(F)(F)F)c3)C2=O)cc1 12855981 FPFFNBYGWRMWBR-LDADJPATSA-N 419.468 6.239 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(F)c2)cc1Cl 13609559 CBDPVADSFBOIBM-UHFFFAOYSA-N 422.843 5.229 0 40 HKAB O=C(NCCSCc1ccccc1)c1ccc(OCc2ccccc2Cl)cc1 13687522 BUQRQKPKPBPUJH-UHFFFAOYSA-N 411.954 5.582 0 40 HKAB O=C(COc1ccccc1Cl)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 13957468 DHJZHFLRIHTWCD-UHFFFAOYSA-N 414.248 5.214 0 40 HKAB CC1(C)Cc2cccc(OCc3ccc(C(=O)NCc4ccc(Cl)cc4)cc3)c2O1 15881123 QMOGLXINWQXYEL-UHFFFAOYSA-N 421.924 5.563 0 40 HKAB O=C(/C=C/c1cccs1)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 15881814 UKCFSQWOMUHRLQ-AATRIKPKSA-N 413.474 5.278 0 40 HKAB COC(=O)c1c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)sc(C)c1C 16689835 VXHIBQRKWXPVLI-UHFFFAOYSA-N 422.531 5.681 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1c(F)c(F)c(F)c(F)c1F 17082809 PJRDBMDXNNPMOM-UHFFFAOYSA-N 404.294 5.443 0 40 HKAB COc1c(C)cccc1C(=O)Nc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1Cl 17092474 IMPUBCCJRBQXPJ-UHFFFAOYSA-N 420.896 6.334 0 40 HKAB CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)C=C[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 17917093 QVHCBIHNSPQTPJ-QYOOZWMWSA-N 423.512 5.328 0 40 HKAB COc1ccc(CC(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1 19691465 QGIKAUUIVCSMFY-DEOSSOPVSA-N 404.485 5.111 0 40 HKAB O=C(CSCc1cccc(Br)c1)Nc1ccccc1C(F)(F)F 20238320 NXFJXYASCVFIPP-UHFFFAOYSA-N 404.251 5.340 0 40 HKAB C[C@@H]1CC(=O)c2c(Nc3cccc(C(F)(F)F)c3)nn(-c3ccc(F)cc3)c2C1 20672212 LJKVEXUVCKDKPU-LBPRGKRZSA-N 403.379 5.539 0 40 HKAB Cc1ccc(Nc2nc(C)c(NC(=O)c3ccccc3)c(Nc3ccc(C)cc3)n2)cc1 21152983 IEOAPBJQGJJCMF-UHFFFAOYSA-N 423.520 6.141 0 40 HKAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 22522793 FEGPYMFAAGOZQF-CQSZACIVSA-N 414.288 5.630 0 40 HKAB Cc1cc(C)cc(NC(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)c1 25391420 XXFIJYUZVMUSDQ-UHFFFAOYSA-N 421.544 5.662 0 40 HKAB O=C(COc1ccccc1Cl)N(Cc1ccc(F)cc1Cl)c1ccccn1 28291458 QTJSRTGALKLKRQ-UHFFFAOYSA-N 405.256 5.140 0 40 HKAB CCOc1ccccc1Nc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1 28406070 TYTLUJCNFVSCDW-UHFFFAOYSA-N 400.269 5.265 0 40 HKAB COc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1 29566112 NSWYNOUCGSQSGB-UHFFFAOYSA-N 402.425 5.086 0 40 HKAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)Cc1coc2ccc3ccccc3c12 32903355 IKOZZWUNZGXKBH-UHFFFAOYSA-N 419.431 5.532 0 40 HKAB CC(=O)c1cccc(NC(=O)COc2ccccc2-c2nc3ccccc3s2)c1 32958132 TYDTYWMVAZNYHN-UHFFFAOYSA-N 402.475 5.183 0 40 HKAB Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1 33575569 PABDPXIKCJFZMI-UHFFFAOYSA-N 404.322 5.490 0 40 HKAB c1ccc(COC[C@@H]2SC[C@@H](OCc3ccccc3)[C@H]2OCc2ccccc2)cc1 38530113 IISDOLHHPNAZII-UODIDJSMSA-N 420.574 5.489 0 40 HKAB COc1cc2c(cc1OC)CN(Cc1cc3sccc3n1Cc1ccccc1)CC2 57719550 FBOIJMRVZLPPFS-UHFFFAOYSA-N 418.562 5.327 0 40 HKAB COc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)cc1 59041326 XUDAEYIVQNUWJD-UHFFFAOYSA-N 406.532 5.850 0 40 HKAB COc1ccc(-c2nnc(SCc3c[nH]c4ccccc34)n2-c2ccccc2)cc1 59489565 UFRVPEHRQQCGAN-UHFFFAOYSA-N 412.518 5.717 0 40 HKAB O=C(Nc1cc(Cl)ccc1O)c1ccc(SCc2cn3ccccc3n2)cc1 63803274 JAMNGMOUHWGPMD-UHFFFAOYSA-N 409.898 5.238 0 40 HKAB CCCCN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 72215886 UDNHLCGPKWEALV-JOCHJYFZSA-N 409.574 6.482 0 40 HKAB Nc1c(Cl)cc(NC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)cc1Cl 84603599 CXPQRPCSJBCJME-NSHDSACASA-N 421.353 5.040 0 40 HKAB CN(Cc1csc(-c2ccccc2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 95951867 YXRUCWONYWOLHZ-OALUTQOASA-N 405.350 5.207 0 40 HKAB O=C(Nc1ccccc1)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F 95956833 YKXMSTJMAPZXBG-OAQYLSRUSA-N 414.427 5.473 0 40 HKAB C[S@@](=O)C[C@@H](NCc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 96003649 QPJSOFYMMQJRNK-LXFBAYGMSA-N 413.970 5.128 0 40 HKAB Cc1nc(-c2cn(C(=O)OCC3c4ccccc4-c4ccccc43)c3ccccc23)no1 98071595 KPOAIVGPPNHNQJ-UHFFFAOYSA-N 421.456 5.797 0 40 HKAB Cc1nnc(SCc2ccc(Cl)cc2)nc1/C=C/Nc1ccc(Cl)cc1 100104748 ACNJBISTRCFIKZ-ZHACJKMWSA-N 403.338 5.862 0 40 HKAB CC1=C(CC[C@@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 118936260 KIDQUNOGEXTBNB-LVYXESMWSA-N 414.630 5.618 0 40 HKAB Cc1cccc(CN2C(=O)S/C(=C/c3cccc(OCc4ccccc4)c3)C2=O)c1 214624117 NYDJWEQPQVYFBA-HZHRSRAPSA-N 415.514 5.811 0 40 HKAB Cc1ccc(OC[C@@H](C)NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 219774102 VTAQCABHPWLONB-GOSISDBHSA-N 409.913 5.425 0 40 HKAB Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 222633501 INXFKVGVRHICLX-LVXYXVKQSA-N 409.942 5.893 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCCc1ccc(OC(C)C)cc1 223028396 GPUNYOQOPVZUDE-QFIPXVFZSA-N 403.950 5.342 0 40 HKAB Fc1ccc(CCCNC(=S)Nc2ccc(N3CCCc4ccccc43)nc2)cc1 223969446 ZEACFQYTTYERSN-UHFFFAOYSA-N 420.557 5.224 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1cccc(Cl)c1 224487081 IRIQBKHMGZIAMP-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1CSc1ccc(C)cc1 224661074 JUNJJIVKJUGXMX-UHFFFAOYSA-N 405.563 6.555 0 40 HKAB CCOCc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OCC 224696242 BRGVGWCRQQBZFA-UHFFFAOYSA-N 401.812 5.546 0 40 HKAB Cc1ccc([C@H](NC(=S)Nc2ccc(OC3CCCC3)cc2)c2ccccc2)cc1 225511992 SAUXSHMCJQWYLB-RUZDIDTESA-N 416.590 6.392 0 40 HKAB CNc1nc(-c2ccc(OC)c(NC(=O)c3ccc(Cl)cc3Cl)c2)cs1 226093362 IAGQNELDENOLMS-UHFFFAOYSA-N 408.310 5.420 0 40 HKAB CC(C)OCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 253372012 DDHDYFBHPANCQY-QAVHCGMISA-N 418.581 5.528 0 40 HKAB Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1Cl 408629303 WCPXOOKTZNXDBQ-ZDUSSCGKSA-N 404.963 5.212 0 40 HKAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408646764 WHYRHHIVBCWEAB-HNNXBMFYSA-N 405.325 5.110 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(F)cc3)n2)c1C 408697350 GOGJXWROJVJXQK-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 408812471 OUXSZLFGIBAUBK-SXGWCWSVSA-N 424.305 5.247 0 40 HKAB COc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)ccc1OCc1cccc(C)c1 409027006 PALCOQSTSKRLRH-BKUYFWCQSA-N 417.436 5.066 0 40 HKAB CCCc1sc2nc(SCc3ccc(F)cc3)n(-c3ccccc3)c(=O)c2c1C 409109811 LWYZYGRVFHWRIJ-UHFFFAOYSA-N 424.566 6.140 0 40 HKAB Clc1ccc(OCc2ccc(Br)cc2)c(CNc2ccccc2)c1 409110276 ASMKRQOIBLVXOZ-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)c(C)c1 409133625 NKQDFDXEERYLNK-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB Cc1cccc(-n2cccc2/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1C 409189239 NNPHQWBCFTVKGW-DEDYPNTBSA-N 408.910 5.988 0 40 HKAB COc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(=O)c4ccc(C)cc4)ccc32)cc1 704121 BFWATXBBUHHISK-UHFFFAOYSA-N 413.473 5.678 0 40 HKAB biogenic O=C(Cc1ccccc1)Nc1nnc(CCCc2ccc(Cl)cc2Cl)s1 1098006 UUGSBOXVJPVPSR-UHFFFAOYSA-N 406.338 5.201 0 40 HKAB COc1ccc(-c2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1OC 1447788 OPKBXYNHTYCWBW-UHFFFAOYSA-N 408.885 5.453 0 40 HKAB Oc1c(Cl)cc(C2(c3cc(Cl)c(O)c(Cl)c3)CCCCC2)cc1Cl 1706977 ANLICCDGDIUHJE-UHFFFAOYSA-N 406.136 6.962 0 40 HKAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc3c(c(-c4ccco4)c12)CCCC3 1897919 OWQYIPUDKKHGOM-UHFFFAOYSA-N 408.910 5.902 0 40 HKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1Cc1ccccc1 2224597 PVRLTWWHYCTLPZ-OAQYLSRUSA-N 401.849 5.192 0 40 HKAB CCN(CC)C(=S)SCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21 2234101 JQRARQSMWSIZBZ-UHFFFAOYSA-N 423.028 5.829 0 40 HKAB Cc1c(Br)cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(C)c1C 2703505 VVTFCCXBUWLGMB-UHFFFAOYSA-N 422.366 6.217 0 40 HKAB CCCc1ccc(-c2csc(NC(=O)c3ccc(Br)s3)n2)cc1 2752797 FABSQNBIDCCAKL-UHFFFAOYSA-N 407.358 5.839 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 3109488 IKYHKXUNCOYBCN-UHFFFAOYSA-N 402.346 6.846 0 40 HKAB COC(=O)c1ccc(COC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 3246842 CHBVPXJXCJAPQL-UHFFFAOYSA-N 403.459 5.107 0 40 HKAB CSc1ccccc1NC(=O)COC(=O)[C@H](Sc1ccccc1)c1ccccc1 3264758 KCLYZUHFKLRGAX-JOCHJYFZSA-N 423.559 5.424 0 40 HKAB Cc1ccc(C)c(Cn2cc(SCC(=O)NCc3ccccc3)c3ccccc32)c1 4060920 OUWUSZMLUXPMIY-UHFFFAOYSA-N 414.574 5.715 0 40 HKAB CN(C)c1ccc([C@@H]2c3c(c4ccccc4oc3=O)Nc3ccc4ccccc4c32)cc1 4116371 SGPMFLUAKUANHP-DEOSSOPVSA-N 418.496 6.249 0 40 HKAB Clc1ccc(-n2c(SCCN3CCCCC3)nnc2-c2cccs2)cc1 4399629 GEFHDYPJYGXCNQ-UHFFFAOYSA-N 404.992 5.227 0 40 HKAB CCc1cc2cc(C)c(C)cc2nc1SCC(=O)Nc1ccc(OC)cc1OC 4849433 TXZTVWZFSFMYOL-UHFFFAOYSA-N 410.539 5.162 0 40 HKAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1c(C)cccc1CC)OCO3 4849539 HEWYKOFXAMCMEZ-UHFFFAOYSA-N 408.523 5.128 0 40 HKAB CCc1cc([C@H](c2ccccc2F)N2CCCCC2)c(NC(=O)c2ccccc2)s1 5575991 BAPANJFOHUMVON-QHCPKHFHSA-N 422.569 6.277 0 40 HKAB CCC[C@H](C)NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 6083953 XJCHXLIRWIWWIB-HNNXBMFYSA-N 410.901 5.017 0 40 HKAB CC(C)Oc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 6345752 XOWPSQWWHDXUNZ-UHFFFAOYSA-N 405.277 6.398 0 40 HKAB CCn1c(SCC(=O)c2ccc3ccccc3c2)nc2sc(C)c(C)c2c1=O 6489996 IPQFBGXOBPVOKW-UHFFFAOYSA-N 408.548 5.223 0 40 HKAB Cc1nc(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)n(C2CCCC2)c1C 6605740 MRZRHDHIWIOSQF-UHFFFAOYSA-N 413.374 5.356 0 40 HKAB Fc1cccc(F)c1CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 6616270 POSYWHIIJYTNRN-UHFFFAOYSA-N 413.880 6.158 0 40 HKAB CCOc1cc(CNc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1 6630749 RLXDLZBNWAUHAL-UHFFFAOYSA-N 410.901 5.368 0 40 HKAB COc1ccccc1CN(Cc1cccs1)C(=O)CCc1c[nH]c2ccccc12 6648237 KIEZWCHMTDRXSH-UHFFFAOYSA-N 404.535 5.400 0 40 HKAB Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)cc1)S[C@@H](C)C(=O)N2 6678744 SMRBDJZKBDUHKC-ORAYPTAESA-N 413.930 5.114 0 40 HKAB CCCNC(=O)c1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl 6879986 HPIUGIVAHDJTPX-UHFFFAOYSA-N 411.354 5.005 0 40 HKAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 6919587 ZDKUYDQVPQMGES-INIZCTEOSA-N 406.507 5.557 0 40 HKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1C 6966692 OWDOEOFVIVUUBJ-UHFFFAOYSA-N 408.929 5.895 0 40 HKAB CC(C)n1ncc2c(C(=O)Nc3ccc(-c4nccs4)cc3)cc(C3CC3)nc21 7989362 OMMOFZYQNGMXSA-UHFFFAOYSA-N 403.511 5.265 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1 8434550 ZFLSZVNXCGGNNU-UHFFFAOYSA-N 416.477 5.014 0 40 HKAB COc1ccccc1[C@H]1C(C(=O)Nc2ccc(C)cc2)=C(C)Nc2nc3ccccc3n21 9288239 STCCWGHFBGPYCO-DEOSSOPVSA-N 424.504 5.281 0 40 HKAB COc1ccc(-c2nc(CC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cs2)cc1 9495421 AYPGTZUXHLSYSA-UHFFFAOYSA-N 422.506 5.041 0 40 HKAB Cc1cc(-c2cc(C(=O)Nc3ccc(F)cc3F)c3cnn(C(C)C)c3n2)c(C)o1 11372940 SVNXHAHBUSXUIE-UHFFFAOYSA-N 410.424 5.420 0 40 HKAB Cc1ccc(-n2c(SCc3cn4ccsc4n3)nnc2-c2ccccc2)cc1C 12589389 FNTPFQUNSXXSGJ-UHFFFAOYSA-N 417.563 5.553 0 40 HKAB Cc1cc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)n(Cc2ccccc2)n1 12766829 OLIVJIYVQCSFKK-UHFFFAOYSA-N 422.941 5.198 0 40 HKAB COc1cc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cc(OC)c1 12979009 ZKDZXFWJJYPLCN-UHFFFAOYSA-N 406.463 5.340 0 40 HKAB CCN(C(=O)[C@H](C)OC(=O)c1cc2c(s1)CCCCC2)c1cccc2ccccc12 13073397 XDLHVCAFNYRRDC-KRWDZBQOSA-N 421.562 5.769 0 40 HKAB Clc1ccc(COc2ccccc2CNCc2ccccc2Cl)c(Cl)c1 16449780 YNESZGMIGVIIEL-UHFFFAOYSA-N 406.740 6.516 0 40 HKAB CCC(=O)N1N=C(c2ccc(C(C)(C)C)cc2)Sc2c1nc(CC)n2C(=O)CC 16777717 YFNMSUZCKHVGJU-UHFFFAOYSA-N 412.559 5.004 0 40 HKAB CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)cc4C)nccn3n2)cc1 16841662 OZBNUYYEOGICHW-UHFFFAOYSA-N 416.550 5.306 0 40 HKAB COc1cccc(-c2cc(O)nc(SCc3nc(-c4ccccc4C)oc3C)n2)c1 16841832 MNDZUKPGAZUILJ-UHFFFAOYSA-N 419.506 5.422 0 40 HKAB CCCC1=C(C(=O)OCC)[C@H](c2c[nH]c3ccccc23)n2c(nc3ccccc32)N1 17081906 JUZQVHAZMKOLLQ-QFIPXVFZSA-N 400.482 5.150 0 40 HKAB O=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccc(Cl)cc2)cs1 17082303 ICHJWBKUBYRSQK-UHFFFAOYSA-N 401.900 5.336 0 40 HKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc2c(c1)OCCO2 17090487 FIKLWORUUOYQCE-ZZXKWVIFSA-N 416.260 5.677 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 17094160 OFGUBPJGPWETQG-UHFFFAOYSA-N 424.909 5.886 0 40 HKAB Cc1cc(N2C(=O)[C@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)cc(C)c1Br 17988449 CHHCHFDZBHHLJO-WDSOQIARSA-N 412.327 5.139 0 40 HKAB O=c1c(CN2CCCCC[C@H]2c2cc(-c3cccs3)on2)coc2ccccc12 19375884 QMTSTADVRMJZDH-IBGZPJMESA-N 406.507 5.627 0 40 HKAB Cc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1-c1ccc(CO)o1 20144942 IMXULPCIGULKHI-UHFFFAOYSA-N 419.521 5.813 0 40 HKAB O=C1C[C@H](c2cccc(Cl)c2)Cc2nc3nc(-c4ccc(Cl)cc4)nn3cc21 20796273 MZCNGVDNHJVUNI-CQSZACIVSA-N 409.276 5.011 0 40 HKAB COc1cccc2c1ncc1c(-c3ccc(C)cc3)nn(-c3ccc(F)cc3F)c12 21017344 YAEBDNWQLKDXDE-UHFFFAOYSA-N 401.416 5.836 0 40 HKAB CC(C)CC(=O)Nc1ccc(NC(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1 25241903 WWFVBOBSCHJTDU-UHFFFAOYSA-N 410.518 5.300 0 40 HKAB CCOc1c(Cl)cc(C(=O)Nc2nc(-c3ccc(OC)cc3)ns2)cc1Cl 27662943 GAQNMBLMMCSGQB-UHFFFAOYSA-N 424.309 5.172 0 40 HKAB Cc1cccc(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)cc3)c3ccccc23)c1 28535057 NIXMVYPUKSHKOT-UHFFFAOYSA-N 403.869 5.126 0 40 HKAB Clc1ccc2sc(SC[C@H]3CSc4nnc(-c5cccnc5)n43)nc2c1 30533272 HOZXSKVQVBGSPX-GFCCVEGCSA-N 417.972 5.042 0 40 HKAB CCCCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3cc2OC)cc1OC 32115381 LSNMNGAZGNYSFZ-UHFFFAOYSA-N 406.482 5.238 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H]1CCSc2ccccc21 32339327 PVOVSEUXUVJYEF-OAHLLOKOSA-N 419.333 5.924 0 40 HKAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 32623003 VODLDPRUZWXQLD-AWEZNQCLSA-N 421.403 5.088 0 40 HKAB Cc1cc(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)c(C)n1Cc1ccccn1 32689582 RNBJSDKSMHNOIH-AWEZNQCLSA-N 402.325 5.346 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3cccc(Br)c3)cc2)cc1 33688668 FLUAHZLPULDEPH-UHFFFAOYSA-N 412.352 6.302 0 40 HKAB CN1/C(=C2/C=NN(c3ccccc3)[P@@]2(=N)N2CCCC2)C(C)(C)c2ccccc21 34911718 WJQBDVHMRKDKHP-GGVPUECXSA-N 405.486 5.837 0 40 HKAB Cc1ccc2c(=O)cc(CSc3nnc(CC(C)C)n3-c3ccccc3)[nH]c2c1C 41077348 JBSUAJZCPPHUOV-UHFFFAOYSA-N 418.566 5.216 0 40 HKAB CC(C)[C@@H](SC1=Nc2ccccc2CS1)C(=O)N[C@@H]1CCOc2ccccc21 43030808 NGDABHCJKQXQJS-UYAOXDASSA-N 412.580 5.319 0 40 HKAB CCCOc1ccccc1CCCNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 44851641 KUVDLDSWCYFJPX-NRFANRHFSA-N 408.586 5.070 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2)c(C)c1 67297229 AMSNTURLWXYDMO-LCUIJRPUSA-N 402.881 6.188 0 40 HKAB COc1ccc([C@@H](NC(=O)/C=C(\c2ccccc2)C2CCCC2)c2ccccc2)cc1 71260638 KXTJATROTDXBTJ-NIJSQZSCSA-N 411.545 6.175 0 40 HKAB CCOc1ccccc1[C@H](CC(C)C)NC(=O)Cc1nc(-c2ccsc2)oc1C 72307261 ZTOXDXNFHOEXSO-FQEVSTJZSA-N 412.555 5.556 0 40 HKAB Cc1ncc(CN2CCCCC2)c2cc(C(=O)c3ccc(Br)cc3)oc12 95475992 AFXCWTHVWNFOOG-UHFFFAOYSA-N 413.315 5.116 0 40 HKAB Fc1ccc(C2=C[C@H](c3ccc(F)cc3)n3nc(-c4ccc(Cl)cc4)nc3N2)cc1 100830400 TYQUSFVLKIEANY-OAQYLSRUSA-N 420.850 5.933 0 40 HKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCN(c6ccccc6)CC5)(C4)C2)C3)cc1 101114201 PFMKYYGUQHFMAF-CLOGCQCWSA-N 414.593 5.182 0 40 HKAB Cc1cccc([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)c1 101221778 VXEUSHOSSVPFLF-IFMALSPDSA-N 408.332 6.798 0 40 HKAB CC1=C(/C=C\C2=C/C(=C\C(=O)O)C[C@H](C3=C(C)CCCC3(C)C)C2)C(C)(C)CCC1 104278912 OSJIOOWZMIEHAZ-GYUPKRNFSA-N 408.626 7.943 0 40 HKAB Fc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 106982973 AXWKYQKAQXQIEO-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1 222708458 ZSBYUJJUMMWVLN-ZQMYSKGWSA-N 418.566 5.250 0 40 HKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2ccccc2)c1C 222988515 FDEHRSZWUXVJNC-ZEQRLZLVSA-N 418.610 5.570 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1cccc(Cl)c1 224145673 PKZPXQUQECTHQU-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccc(C(C)(C)C)cc1 224179915 YBLPUPADEJCHHB-UHFFFAOYSA-N 417.549 6.441 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)c1 224310168 AKUPDAVQPOFPSI-LOSJGSFVSA-N 424.573 5.666 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccccc1Cl 224478491 SRYCZASDASUHIQ-UHFFFAOYSA-N 417.839 5.848 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1c1ccc(Oc2ccccc2)cc1 224626349 HNLRYXJCRYXJKU-DHIUTWEWSA-N 412.518 5.379 0 40 HKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224994947 VIFNDBDSWJWDAR-SFTDATJTSA-N 422.613 5.249 0 40 HKAB S=C(NCCSCc1ccc(Cl)c(Cl)c1)Nc1cccc(Cl)c1 225344081 ZFDUFZNRTCBXDU-UHFFFAOYSA-N 405.803 5.867 0 40 HKAB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)/C=C/c3ccccc3Cl)C2)n1 225540528 WLCRVSLQIWZELE-QFQMRYFISA-N 421.928 5.193 0 40 HKAB CCOC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c1 225700263 XKCYOPVLSODDMF-JOCHJYFZSA-N 404.535 5.248 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2ccccc12 225778114 XZGTUQRZJJMEQS-UHFFFAOYSA-N 409.913 5.579 0 40 HKAB Cc1cc(C)c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c(C)c1 408621818 OFPQRSTYJVTPLS-UHFFFAOYSA-N 404.535 5.318 0 40 HKAB O=C(COc1ccc(Cl)cc1)Nc1cccc(-c2cc3ccccc3oc2=O)c1 408629169 NLEYAOOXYOJOJQ-UHFFFAOYSA-N 405.837 5.131 0 40 HKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)N2C(c3ccccc3)=CSC2=N1 408990178 NCMYBYVEPHPNOP-DEOSSOPVSA-N 423.541 6.057 0 40 HKAB COc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1cccc(Cl)c1 409116764 MFKLFTMRYCNKMW-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB COc1cc(Cl)c(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OC 409132823 KEBKNRCAPUDVGB-XDHOZWIPSA-N 417.914 5.026 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2cccc(C)c2C)cc1 409380321 CIXLNKRLWQLKOH-UHFFFAOYSA-N 417.933 5.800 0 40 HKAB O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1cc(Cl)ccc1Cl 409391431 JHMWQSSLCSCBGB-UHFFFAOYSA-N 402.306 5.754 0 40 HKAB CCCN(CCOc1c(Cl)cc(Cl)c(Cl)c1Cl)C(=O)n1ccnc1 521219279 GQXLHSKOAJIVJF-UHFFFAOYSA-N 411.116 5.256 0 40 HKAB CC(C)(C)[C@@H](NC(=O)c1ccc(Br)cc1)c1nc(-c2ccccc2)no1 526052562 ZZOCWZREXBFVGD-INIZCTEOSA-N 414.303 5.016 0 40 HKAB CC(=O)N1CCC[C@H](NCc2c(C)cccc2Cl)[C@@H]1Cc1cccc(Cl)c1 585285435 JTAPWMXCUTVPSR-VXKWHMMOSA-N 405.369 5.014 0 40 HKAB COc1ccc2oc(=O)c(-c3csc(N(CC4CC4)c4ccccc4F)n3)cc2c1 1889272303 LROBPTFLLNFDRI-UHFFFAOYSA-N 422.481 5.612 0 40 HKAB COc1ccc(-c2ccc3c(N)c(C(=O)NCc4ccccc4Cl)sc3n2)cc1 661548 ZHYKHAGHXWUXPE-UHFFFAOYSA-N 423.925 5.138 0 40 HKAB Cc1cccc2c1N(C(=O)COc1ccccc1)C(C)(C)c1ssc(=S)c1-2 828392 VTHNURMHBFSDHG-UHFFFAOYSA-N 413.589 6.175 0 40 HKAB COc1ccccc1[C@@H](CCN(Cc1ccco1)C(C)=O)c1ccc(OC(C)C)cc1 1321519 UBRQBRSAYMZVFZ-DEOSSOPVSA-N 421.537 5.646 0 40 HKAB biogenic O=C(Oc1ccc2sc(=O)oc2c1)c1cccnc1SCCC(F)=C(F)F 1402579 JHZQDFSIKMAXKZ-UHFFFAOYSA-N 413.398 5.029 0 40 HKAB CC[C@@H](C(=O)Nc1cc(C(=O)Nc2cc(C)cc(C)c2)ccc1Cl)c1ccccc1 2073507 GBRGQROMUWXVMI-OAQYLSRUSA-N 420.940 6.341 0 40 HKAB Cc1ccccc1NCc1cc(Cl)ccc1OCc1ccc(Br)cc1 2093660 DMNPTQYJGBMGPW-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB CCOC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 2116417 MRTBVEZPPZIQIP-GKDIGFIRSA-N 400.603 6.114 0 40 HKAB biogenic NNc1nc(SCc2ccccc2)nc2c1C1(CCCCC1)Cc1ccccc1-2 2254383 GCJFWMWZHWISAZ-UHFFFAOYSA-N 402.567 5.480 0 40 HKAB Cc1nc2ccc(NC(=O)COc3cc(Cl)c(Cl)cc3Cl)cc2s1 2640129 BBJRCCWDOVFUFR-UHFFFAOYSA-N 401.702 5.582 0 40 HKAB COc1ccc(-c2csc3ncnc(Oc4cccc(Br)c4)c23)cc1 2650513 GHWWWFDXWZRFRM-UHFFFAOYSA-N 413.296 5.922 0 40 HKAB CCC[C@@H](CNC(=O)COc1ncnc2sccc12)c1ccc(Cl)cc1Cl 2658795 SXKAXNWASHCYFY-LBPRGKRZSA-N 424.353 5.077 0 40 HKAB CSc1ccc(-c2nc(S)c3c(n2)Oc2ccc(Br)cc2C3)cc1 2693346 ZAZYFFSLMMAXSB-UHFFFAOYSA-N 417.353 5.613 0 40 HKAB Cc1cccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCCC6)o2)c1 2796938 YEVSIOLYJHNRMB-UHFFFAOYSA-N 416.506 5.365 0 40 HKAB O=C(Oc1ccc2cc(Br)ccc2c1)c1cccc(Oc2ccccc2)c1 3284580 ANDFKTMYXRQCDN-UHFFFAOYSA-N 419.274 6.614 0 40 HKAB CCC(CC)(CC(=O)Nc1cccc(/C=C/c2nc(C(C)C)cs2)c1)C(=O)O 3777833 PGLNVMJTDKEOBE-ZHACJKMWSA-N 400.544 5.657 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)c2c(-c3ccccc3)nn(C(=O)/C=C/c3ccc(Cl)cc3)c21 4671435 QRWRYXXMXYBSTM-ZTRKRBICSA-N 418.968 7.194 0 40 HKAB CCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 4811623 SPPJASBVBZPPEC-AHKZPQOWSA-N 412.533 6.416 0 40 HKAB Cc1ccc(Sc2nc(SCc3ccccc3Cl)nc3c2CCCC3)cc1 5746532 MGYBBBDPZLDYSB-UHFFFAOYSA-N 413.011 6.761 0 40 HKAB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)N1CCc2ccccc21 5795249 BZKKPTPEBYVSEO-OAHLLOKOSA-N 407.539 5.104 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 6308324 BOFRFOUQZDYGFX-SFHVURJKSA-N 422.550 5.278 0 40 HKAB O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1cccc(Cl)c1Cl 6529829 OOXGKBYQPRSEFG-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB Cc1ccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)cc1F 6647919 QLQIUBJIOQRJMP-UHFFFAOYSA-N 409.511 5.537 0 40 HKAB CCN(CC)[C@@H](CNc1nc(C)nc2sc3c(c12)CCC3)c1ccccc1Cl 6880948 YCWBTMKSYLNHKT-SFHVURJKSA-N 415.006 5.637 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3ccc(SC)cc3OC)sc2C)cc1 6967440 LAHZEJLEYWYTRE-UHFFFAOYSA-N 400.525 5.110 0 40 HKAB Cc1ccc(Nc2nnc(S[C@H](C)c3nnc(-c4ccccc4)o3)s2)c(C)c1 7371230 HORCBYAQCBLHLY-CQSZACIVSA-N 409.540 5.802 0 40 HKAB CCCc1n[nH]c(=S)n1NCc1c(OCc2ccccc2F)ccc2ccccc12 7601343 YSCVBAGCCZYJPF-UHFFFAOYSA-N 422.529 5.508 0 40 HKAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)C12CC3CC(CC(C3)C1)C2 7735631 IILDGUPHJBEDIS-UHFFFAOYSA-N 402.610 5.541 0 40 HKAB COc1cc([C@H]2N=C(SCC(C)C)NC(C)=C2C(=O)Nc2ccccc2)ccc1C 8320065 BWCYMLJIUVPKDS-JOCHJYFZSA-N 423.582 5.306 0 40 HKAB Cc1cccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccc(C)c(Cl)c2)c1 8476997 WYAJCSRKYVRCIA-UHFFFAOYSA-N 408.933 5.267 0 40 HKAB O=C(CSc1nccn1-c1cccc(F)c1)N[C@@H](c1ccccc1)c1cccs1 9643462 CBUNPTVKKMMGPJ-NRFANRHFSA-N 423.538 5.071 0 40 HKAB O=C(Nc1cc(-c2nc3ccccc3s2)c(Cl)cc1Cl)c1ccc(F)cc1 9949205 JSGQFNXZAIHJRI-UHFFFAOYSA-N 417.292 6.662 0 40 HKAB C[C@@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)c1ccc(Cl)cc1 10024951 JXPUNBJFUNNVON-SNVBAGLBSA-N 423.719 5.516 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 11690023 NJQNVSIDUOMUFN-UHFFFAOYSA-N 416.786 6.419 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)C[C@@H](c1ccc(Cl)cc1)OC2=O 12274617 GORTXXGCRNJISE-FQEVSTJZSA-N 412.272 5.700 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](Nc2ccc(N3CCCCC3)cc2)c2ccccc2)c1 12567032 STHLDUVYGRGXED-AREMUKBSSA-N 413.565 6.086 0 40 HKAB O=C(Oc1ccc(Oc2ccccc2)cc1)c1cccc(I)c1 13098510 AFJSOLIOBUMKHK-UHFFFAOYSA-N 416.214 5.303 0 40 HKAB COc1ccc(C2=CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](OC(C)=O)CC[C@@H]43)C2)cc1 13408907 KXXIKUQRERCHIS-YFJYPRTLSA-N 422.609 6.663 0 40 HKAB biogenic O=C(Nc1ccccc1Sc1ccccc1)c1ccccc1OCc1ccccc1 13687292 FUIRRDOBZUOOKM-UHFFFAOYSA-N 411.526 6.669 0 40 HKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 13709432 FMHVKTCPEDZODB-IBGZPJMESA-N 416.521 5.262 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2c2ccccc2)cc1 13942364 LNZFURHNVQCHIZ-NDEPHWFRSA-N 414.508 6.893 0 40 HKAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 14128640 MRICITBDJZUKNS-QFIPXVFZSA-N 423.871 5.206 0 40 HKAB CC(=O)N(c1nc(COC(=O)c2ccsc2)cs1)c1c(C)cc(C)cc1C 14199129 XZZLJBDCXLRNDP-UHFFFAOYSA-N 400.525 5.171 0 40 HKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)C(Cl)(Cl)Cl 16284351 GMEKTGBTTUDSNV-UHFFFAOYSA-N 419.699 5.191 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 20459112 SSNOWIMLXCJHCE-XMMPIXPASA-N 422.956 5.308 0 40 HKAB O=C1CS[C@@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N1CCc1ccccc1 27061882 IANQCLYWKSPRIZ-NRFANRHFSA-N 418.345 6.070 0 40 HKAB COc1ccc(OCC(=O)N(C)[C@@H](c2ccc(C)cc2)c2c[nH]c3ccccc23)cc1 27795395 PDFAESAAYUNARB-SANMLTNESA-N 414.505 5.112 0 40 HKAB CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCCC1 28288681 JCECYPCEJQZRCP-QHCPKHFHSA-N 408.586 5.340 0 40 HKAB c1ccc(CCN(CCc2ccccc2)[C@H](Cc2ccccc2)c2ccccc2)cc1 31924196 QECHIDNDDFXCQK-SSEXGKCCSA-N 405.585 6.758 0 40 HKAB C[C@@H]1CCCC[C@@H]1N[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 34867952 KRKDELWOURNERO-UAOJZALGSA-N 424.894 6.207 0 40 HKAB C[C@H](NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)c1ccc(F)cc1 44934048 HKPLWVPMWGAJEO-GOEBONIOSA-N 409.332 5.222 0 40 HKAB O=C(Nc1nnc(C2CCC2)s1)c1cc(-c2ccc(F)cc2)nc2ccccc12 61717956 FZLDRCHMVVGKBA-UHFFFAOYSA-N 404.470 5.412 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1scc(-c2ccccc2)c1-n1cccc1 64872236 MGOIQMLNMGAXBS-UHFFFAOYSA-N 423.335 6.221 0 40 HKAB Brc1ccc2scc(CN(Cc3ccccc3)Cc3ccccc3)c2c1 68677063 YCHSWSXPYKWCCN-UHFFFAOYSA-N 422.391 6.866 0 40 HKAB C[C@@](OC(=O)c1ccc(Cl)nc1)(c1cccc(Br)c1)C(F)(F)F 72307986 LIQUFTNVWOZCTC-CQSZACIVSA-N 408.601 5.132 0 40 HKAB Nc1c(Br)cc2nc(-c3ccc4ccccc4c3)oc2c1Br 73640039 VIQVXTNWUABCGC-UHFFFAOYSA-N 418.088 5.755 0 40 HKAB CCn1c(CNC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)nc2ccccc21 83843336 VSOBFTHJDVQKAG-SFHVURJKSA-N 417.340 5.410 0 40 HKAB Cn1ccnc1-c1sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2F)nc1-c1ccccc1 95348752 XCXGUKFPHZZQDX-IAGOWNOFSA-N 418.497 5.092 0 40 HKAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1nc(C2CCCCC2)cs1 95883178 SWLNWBZNEGVJPX-HNNXBMFYSA-N 413.587 5.245 0 40 HKAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3nc(-c4ccc(CC(C)C)cc4)cs3)C(=O)[C@@H]21 102196418 JESHWTBYGPEYMA-YHBROIRLSA-N 420.578 5.490 0 40 HKAB Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(O)C[C@@H](c3ccc(F)cc3)CC1=N2 102680209 FAWIFIRAZBCDOR-YEJXKQKISA-N 410.399 5.069 0 40 HKAB Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@H](c1ccsc1)O2 102907405 AGQKQVXUHPJYJT-YJBOKZPZSA-N 417.353 5.814 0 40 HKAB CCOc1ccccc1-c1cc(-c2ccc(C(=O)O)cc2)nn1CCc1ccccc1 103298858 PMMALUWPRKOYIS-UHFFFAOYSA-N 412.489 5.557 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](CO)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118930472 TYTUMJNHSUQBGY-GMYIAEGMSA-N 418.706 6.687 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219387478 NCZXIXKUJBAFBQ-UYAOXDASSA-N 419.974 5.638 0 40 HKAB C[C@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc2c(c1)OCCO2 222656916 AKIIFXGHJJIBHW-LBSLPOPVSA-N 419.908 5.529 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1F 222720522 ROLATZDPMQTJJT-UHFFFAOYSA-N 423.134 5.767 0 40 HKAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(OCCSc2ccccc2)cc1 222780838 CZNJUOQXAYQTFL-GOSISDBHSA-N 407.535 5.357 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 223099139 QOOURNVSAVOWPD-UIOOFZCWSA-N 401.550 6.144 0 40 HKAB C[C@H](SCc1ccccc1)C(=O)Nc1nnc(SCc2ccccc2)s1 223228151 YNEMHOAZNPOJPC-AWEZNQCLSA-N 401.582 5.091 0 40 HKAB COc1ccc2cc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)ccc2c1 224111588 YLLSTIVIMDGRHP-UHFFFAOYSA-N 405.475 5.442 0 40 HKAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1cccc(Cl)c1 224142707 QZOQPXLZTDREIA-UHFFFAOYSA-N 416.304 5.511 0 40 HKAB Cc1cc(C(=O)Nc2ccccc2C(C)C)ccc1N(C)S(=O)(=O)c1ccccc1 224194388 NCRDEEAGUBJMOA-UHFFFAOYSA-N 422.550 5.196 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)c1 224783999 UZUHUEXKWIWRGF-JOCHJYFZSA-N 407.554 5.840 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)NC3CCCCCCC3)o2)c1 224905028 QJUCYZPWPOLNPI-UHFFFAOYSA-N 404.510 5.860 0 40 HKAB CN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc2ccccc2c1 225057139 BFEYYOWXCVWSIN-UHFFFAOYSA-N 403.503 5.244 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225266838 RSLWUGXHTQLJOL-UHFFFAOYSA-N 416.695 6.442 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc2cccc(Cl)c2oc1=O 226039732 IMXDYYWSTUJUDE-UHFFFAOYSA-N 402.155 5.371 0 40 HKAB CC1=C2C[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@]43C)[C@H]2CC[C@@]12O[C@H]1C[C@@H](C)CN[C@@H]1[C@@H]2C 253591341 QASFUMOKHFSJGL-BZVNKGFZSA-N 411.630 5.002 0 40 HKAB CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@H]12)[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3 253598170 ZRPNFEVAKYBZFA-CCEOLCBOSA-N 412.702 8.089 0 40 HKAB Cc1cccnc1Nc1ccc([C@@H]2CCCCN2Cc2ccc3nccnc3c2)cn1 257263243 LOZWIEAPNFUMAI-QHCPKHFHSA-N 410.525 5.199 0 40 HKAB CC(C)c1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)on1 257290317 QCKFVXGBJHEGCR-INIZCTEOSA-N 413.905 5.050 0 40 HKAB CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CCC2=C3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 257348057 AWYDNKRGSOPYQB-XFHYCQAOSA-N 400.691 7.779 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccc(C)c(C)c3)N21 260786459 XEXKKSRWECLJEF-LEOXJPRUSA-N 402.567 5.469 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccccc2)c1 408697798 JRCSNNPFBZXNFY-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C(Nc1ccccc1)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 408698215 MGZQWUJZAYZAJC-UHFFFAOYSA-N 409.276 5.493 0 40 HKAB CCCCCOc1ccc(NC(=O)C(=O)NC2CCC(C(C)(C)CC)CC2)cc1 408708049 GHZXOCPLDABXEP-UHFFFAOYSA-N 402.579 5.305 0 40 HKAB Cc1ccc(NC(=O)[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c(C)c1 408737029 LAQPSZVPGSISSV-RUZDIDTESA-N 414.549 5.215 0 40 HKAB Cc1ccc(C)c(NCc2ccc(OCc3cccc4ccccc34)c(Cl)c2)c1 409113359 FQAFEGQTTGYWQI-UHFFFAOYSA-N 401.937 7.301 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)/C(=C/c1ccccc1Cl)c1ccccc1 409114183 DCUTWTKNWFJHBM-LYBHJNIJSA-N 409.916 7.186 0 40 HKAB CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c2ccccc21 409118557 RFVVYWMKTWUXAM-MOSHPQCFSA-N 424.327 6.480 0 40 HKAB CN(C)c1ccc(-n2cccc2/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409129415 GLTXFFPSFWDMFI-RCCKNPSSSA-N 409.555 5.160 0 40 HKAB CCOc1cc(CNc2cccc(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 409267637 VHXTZSAMPCXCPM-UHFFFAOYSA-N 404.510 5.332 0 40 HKAB Cc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ccc(Cl)cn3)cs2)cc1 585294540 IDOVJOUEGKYNAG-IBGZPJMESA-N 412.946 5.089 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2[C@@H](C)Cc2ccc3c(c2)OCO3)cc1 643449 FCEQAOWLJKMYGC-XDHUDOTRSA-N 400.478 5.001 0 40 HKAB aggregator COc1cc(CSc2nc3c(Cl)cc(Cl)cc3o2)cc(OC)c1OC 643565 FGRLQKBGPDXDAE-UHFFFAOYSA-N 400.283 5.453 0 40 HKAB biogenic,in-vitro Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccn2)CC[C@@H](C)C3)c1 708181 SKUKMBHVYXHKDG-OAHLLOKOSA-N 405.523 5.081 0 40 HKAB Cc1cc(N[C@@H](c2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)no1 936746 FSCGNFXUARTWQF-QFIPXVFZSA-N 417.534 6.115 0 40 HKAB COc1ccccc1N1CCN(c2nnc(-c3ccc(C)c(C)c3)c3ccccc23)CC1 944306 QLMFUUPGLIMFTF-UHFFFAOYSA-N 424.548 5.249 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3F)C3CCCCC3)cc2c1 1353057 VDFYZHQECZDGJC-UHFFFAOYSA-N 407.489 5.342 0 40 HKAB O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1 1385886 MKDBXWIZJQAGBT-HXUWFJFHSA-N 410.304 5.584 0 40 HKAB CCN(CC)CCOc1ccc(-c2c(-c3ccccc3)c(=O)oc3ccccc23)cc1 1680080 CLHXCYAJKPOMBO-UHFFFAOYSA-N 413.517 5.848 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1 1738810 RZWUAABGXODDCZ-UHFFFAOYSA-N 400.261 5.485 0 40 HKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(O[C@H](C(=O)O)c3ccccc3)ccc12 2121761 FOCNIRGAVARVFX-DEOSSOPVSA-N 414.457 5.205 0 40 HKAB biogenic O=C1C(Nc2ccc(F)cc2)=C[C@@H](c2cccc3ccccc23)N1c1ccc(F)cc1 2199451 METYVPSEMBRFDJ-VWLOTQADSA-N 412.439 6.202 0 40 HKAB CC(C)c1ccc(OCc2nc(-c3ccc(Cl)cc3)no2)c(Br)c1 2410283 IDROGILPCOWNKS-UHFFFAOYSA-N 407.695 5.855 0 40 HKAB Nc1c(Br)cc2oc(-c3ccc4ccccc4c3)nc2c1Br 2448108 YAGMMQDQIXQULI-UHFFFAOYSA-N 418.088 5.755 0 40 HKAB CC(C)c1ccc(C(=O)[C@H](C)Oc2ccc(NC(=O)c3ccco3)cc2)c(C(C)C)c1 2623394 PDAXOLDIIZTRAW-SFHVURJKSA-N 419.521 6.429 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(Nc4cccc(C)c4)ncnc32)cc1 2714713 YCGJHKDKZRPIIT-UHFFFAOYSA-N 406.489 6.148 0 40 HKAB Cc1cc2nc(-c3cccnc3Cl)n(Cc3cccc(C(F)(F)F)c3)c2cc1C 3133420 HGTVJWWNTLPNMT-UHFFFAOYSA-N 415.846 6.436 0 40 HKAB Cc1ccc2ccccc2c1CSc1nnc(-c2ccc(Cl)cc2Cl)o1 3165802 LPDOQMUTGUAZOI-UHFFFAOYSA-N 401.318 6.797 0 40 HKAB Cc1ccc(NC2=Nc3ccccc3N3Cc4c(C)nn(-c5ccccc5)c4N=C23)cc1 3267819 YOSGURJBVXTJEY-UHFFFAOYSA-N 418.504 5.695 0 40 HKAB O=C1Nc2ccccc2N(C(=O)COc2cc(Cl)cc(Cl)c2)c2ccccc21 4105414 CWWPPEHCLYGRFQ-UHFFFAOYSA-N 413.260 5.303 0 40 HKAB Fc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@H](c3ccc(F)cc3)C2)cc1 4199448 IEQQUVNABVPZCJ-FQEVSTJZSA-N 403.259 6.627 0 40 HKAB CCCCCCOc1ccc(/C=C/C(=O)Nc2nnc(CCC)s2)cc1OC 4342349 WKSCMZWWQPMKBL-ACCUITESSA-N 403.548 5.110 0 40 HKAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)N[C@@H](C)c3ccccc3)c2c1 4610378 XFOIINHTVYQFKI-KRWDZBQOSA-N 414.936 6.609 0 40 HKAB Cn1c(-c2cccc(Br)c2)cnc1NCc1ccc(Cl)c(Cl)c1 4678183 XOKCMSZZAOXOBI-UHFFFAOYSA-N 411.130 5.769 0 40 HKAB CCOc1cccc2sc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)nc12 5125197 YOHLCTKQYIEBFX-UHFFFAOYSA-N 402.475 5.178 0 40 HKAB CSc1ccc(/C=C/c2nc(-c3ccccc3O)n(CCN3CCCCC3)n2)cc1 5274462 JPBFJGSSINSKBI-SDNWHVSQSA-N 420.582 5.029 0 40 HKAB Cc1nc(-c2ccccc2)sc1-c1cc(-c2ccccc2)c2cc(Cl)ccc2n1 5587366 NWKFNQCRFRPCCY-UHFFFAOYSA-N 412.945 7.654 0 40 HKAB CCC[C@@H](C)NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 6083950 XJCHXLIRWIWWIB-OAHLLOKOSA-N 410.901 5.017 0 40 HKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)c1 6352429 BBQLMXPGCJRNMH-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB COc1cc(CNCc2ccncc2)cc(Cl)c1OCc1ccccc1Cl 7274922 QRYIVWXDGBIOSQ-UHFFFAOYSA-N 403.309 5.266 0 40 HKAB CCOc1cc(CNC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl 8254585 JUGZWQXSLYITPV-SFHVURJKSA-N 410.341 5.240 0 40 HKAB COc1cc(CNC23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1Cl 8472101 XTZFFUOHJZHLAH-UHFFFAOYSA-N 411.973 5.986 0 40 HKAB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCC1 8722802 LFLBDJWOUBWYLY-UHFFFAOYSA-N 421.324 5.027 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)c(Cl)c2)cc1 8990820 IAAKZHJWBHCVMN-UHFFFAOYSA-N 407.857 5.123 0 40 HKAB CCOc1ccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 12419443 XHRHSKIOBZLIFT-UHFFFAOYSA-N 424.478 5.218 0 40 HKAB FC(F)(F)c1cc(Sc2nnc(-c3ccccc3Cl)o2)c2ccccc2n1 12527775 NSZDYRKTUUBNFR-UHFFFAOYSA-N 407.804 6.108 0 40 HKAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 12741591 HZKJWHVCZLARJI-UHFFFAOYSA-N 412.518 5.126 0 40 HKAB CCN(C(=O)[C@@H](C)Sc1nnc(C2CC2)n1C1CC1)c1cccc2ccccc12 12873965 CQUNGPBPYAFFQM-OAHLLOKOSA-N 406.555 5.177 0 40 HKAB COc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl 13011590 NHVLRRFAMQXEJP-UHFFFAOYSA-N 409.795 5.114 0 40 HKAB C[C@H]1C[C@@H](C)CN(c2cc(-c3ccccc3)nc3cc(-c4cccc(F)c4)nn23)C1 13562745 SRFANEDEAKQHCV-HDICACEKSA-N 400.501 5.685 0 40 HKAB COc1cccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cccc(C)c2C)c1 13582581 ZZPVJHIZJJIHFQ-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 13631144 KRSZWPKSTIILIW-KRWDZBQOSA-N 422.912 5.317 0 40 HKAB CC(C)(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)Nc4ccccc4)nc3C2)cc1 16323193 JKLORFCZLOOCGG-QGZVFWFLSA-N 414.509 5.331 0 40 HKAB C[C@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(F)c(F)c1 17315422 MQKNJTRUZWOXAJ-KRWDZBQOSA-N 404.464 5.122 0 40 HKAB CC(C)(C)C(=O)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 19081275 VLPBBPFGMHFHCO-IBGZPJMESA-N 415.541 5.034 0 40 HKAB O=C(OCc1nc(-c2ccccc2Cl)no1)c1c2c(nc3ccccc13)CCCC2 24838483 RKNVEOVZNPIOJD-UHFFFAOYSA-N 419.868 5.174 0 40 HKAB Cc1cc(-c2ccccc2)nc(S[C@@H](C)C(=O)Nc2cccc3ncccc23)n1 27028328 XGWCSCLFDFMHPX-INIZCTEOSA-N 400.507 5.120 0 40 HKAB COc1ccc(-c2c(C)nn3c(Nc4ccc(C)c(C)c4)cc(C)nc23)cc1OC 27585401 KFRGNTUBXJOJQC-UHFFFAOYSA-N 402.498 5.391 0 40 HKAB O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cnc2ccccc2n1 29013392 XINVNRVMTBDSMW-UHFFFAOYSA-N 400.385 5.024 0 40 HKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 30855562 IJGNNARTFRYAHK-QFIPXVFZSA-N 408.542 5.162 0 40 HKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)cc2)cc1 30947712 HKFVOPJYKIRJRD-SFHVURJKSA-N 417.505 6.148 0 40 HKAB O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1ccccc1F 32691993 WEOJOINRIKLNIN-UHFFFAOYSA-N 415.493 5.681 0 40 HKAB C[C@@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)Nc1ccc(Cl)cn1 32868665 OFPCAEVPLCEUDX-GFCCVEGCSA-N 410.886 5.058 0 40 HKAB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)C(O)=NC2=S)cc1 33710198 GOURFBUUKBYXBS-XMHGGMMESA-N 402.475 5.181 0 40 HKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)[C@@H](/C=C\c1ccccc1)C(=O)c1ccccc1 36610874 SQYUSQQNCYCPRO-WIQVOTDZSA-N 404.550 6.203 0 40 HKAB O=C(Cn1ccc2ccc(OCc3ccccc3)cc21)NCCc1c[nH]c2ccccc12 40309905 IDADCALMOUEMAT-UHFFFAOYSA-N 423.516 5.061 0 40 HKAB biogenic O=C(c1cc2ccccc2o1)N1CCC(Oc2nc3c(Cl)cccc3s2)CC1 49432787 AEBYQKSNFFASDY-UHFFFAOYSA-N 412.898 5.380 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccc(CN2CCCC2=O)cc1 54720060 QVLDHNUMTNEHRR-UHFFFAOYSA-N 402.519 5.213 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc5nsnc5c4)ccc3o2)c(Cl)c1 57313913 ZUDHGJJVBXMBIY-UHFFFAOYSA-N 420.881 5.714 0 40 HKAB CC(=O)Nc1ccc(C)c(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 58357625 DZGLKBSKFOWZFL-UHFFFAOYSA-N 407.084 5.214 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cc(Cl)ccc2F)nc1 67294433 HWVOASYCNIMDAI-ROMGYVFFSA-N 423.831 5.119 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cc(-c2cccs2)on1 97134729 IZYXALHOXKJQMB-UHFFFAOYSA-N 407.417 5.274 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)N1CCCCC[C@@H]1c1cc(-c2cccs2)on1 100175940 FEXMDBFPKNKXOW-HXUWFJFHSA-N 405.523 5.571 0 40 HKAB Cc1cccc(N/C(Sc2ccccc2)=C(/C(Cl)=C(Cl)Cl)[N+](=O)[O-])c1 100498839 KYFFZHWTUKNLHD-BMRADRMJSA-N 415.729 6.531 0 40 HKAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222759453 KPMSJYAXKWNNPU-MSOLQXFVSA-N 404.322 5.251 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)c1 224319618 OUUVJSOWAWRIIM-RPWUZVMVSA-N 416.594 5.792 0 40 HKAB COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1C 224741470 KYGIXFCVWMORPI-QFIPXVFZSA-N 415.942 5.033 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 224823410 JZNPVJNSGSKSQT-RTWAWAEBSA-N 415.961 6.005 0 40 HKAB COc1cc(CNC(=S)Nc2ccc(OC3CCCC3)cc2)ccc1OC(C)C 225532166 PYOYWPLYCNVNHV-UHFFFAOYSA-N 414.571 5.290 0 40 HKAB C[C@H](CCN1CCC[C@@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 257299484 RQGPYPBCJMDQSU-TZIWHRDSSA-N 409.574 5.110 0 40 HKAB COc1cccc(C(=S)NCc2ccc(Cl)cc2)c1OCc1ccc(F)cc1 408571841 CTDYHVFPRJHHRU-UHFFFAOYSA-N 415.917 5.532 0 40 HKAB O=Cc1cn(CC(=O)Nc2ccc(Br)c3ccccc23)c2ccccc12 408599907 OCEOFGGBNDFFOA-UHFFFAOYSA-N 407.267 5.008 0 40 HKAB CCOc1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 408622766 RKFYBMMFEHLUTQ-UHFFFAOYSA-N 400.272 5.262 0 40 HKAB O=C(CSCc1ccccc1Br)Nc1cccc(C(F)(F)F)c1 408772562 NCMBXMVYMGOVGU-UHFFFAOYSA-N 404.251 5.340 0 40 HKAB Cc1ccc(CSCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 409410947 BBGVKKXQIFBSHC-UHFFFAOYSA-N 421.631 6.259 0 40 HKAB CC1=C[C@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@@H](c3ccc4c(c3)OCO4)[C@H]1[C@@H]2C 504727373 FSFRMGYTTNBARV-AJEPBGTPSA-N 420.505 5.178 0 40 HKAB biogenic CC(=O)c1ccc(Oc2ccc(C(=O)N3C[C@H](c4ccsc4)O[C@H](C)C3)cc2)cc1 534810211 PLYHIXKKNOQLAS-WAIKUNEKSA-N 421.518 5.345 0 40 HKAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 585091764 JYMCEXWTXRFBMJ-XZOQPEGZSA-N 419.908 5.371 0 40 HKAB CC(C)C(=O)N1CCCCCCCNCc2cc(-c3ccc(Cl)c(F)c3)ccc21 643576536 PQMLYIVVTPDILJ-UHFFFAOYSA-N 416.968 6.189 0 40 HKAB C[C@H](NC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1ccccc1 728193 CKKVBXZYWPCNIH-IBGZPJMESA-N 418.500 5.554 0 40 HKAB Cc1cc(Nc2cccc(C(F)(F)F)c2)nc(Nc2cccc(C(F)(F)F)c2)n1 811484 BLXWAYCWAIIGGI-UHFFFAOYSA-N 412.337 6.310 0 40 HKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(Cl)c(Cl)c1 862993 XLMOJNFRXUQFCU-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cccc(Br)c1 865344 NZCNJENMQUUMGX-UHFFFAOYSA-N 411.230 5.649 0 40 HKAB Cc1cc(C)c2cc(CN(Cc3ccco3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 907833 PPPIWAQQGUCCRC-UHFFFAOYSA-N 417.534 5.137 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccccc2OCC)sc2c1CC[C@H](CC)C2 1102658 XIYIUDIOJFBPKM-AWEZNQCLSA-N 401.528 5.091 0 40 HKAB CC(C)CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1 1807730 AFOWMUMCAIEDLH-NCELDCMTSA-N 413.517 6.069 0 40 HKAB CCCCSc1nnc2c(n1)O[C@@H](/C=C/c1ccc(OC)cc1)Nc1ccccc1-2 2083964 KERYUVDVTBCIQX-IXDOJHRFSA-N 420.538 5.283 0 40 HKAB CSc1ccc(/C=C2\SC(=O)N(CNc3cc(Cl)ccc3C)C2=O)cc1 2120069 AGLVOIZGOPNYKI-MFOYZWKCSA-N 404.944 5.476 0 40 HKAB CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@H](O)c2ccc(Cl)cc2)cc1 2403331 SKTNTCPFOKZFQS-KDYSTLNUSA-N 407.878 5.350 0 40 HKAB FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c(N4CCCCC4)ncnc32)c1 2714150 NMLBGXKRXWXTBB-UHFFFAOYSA-N 422.454 6.097 0 40 HKAB O=C(Oc1ccc2oc(-c3ccco3)cc(=O)c2c1)c1cccc(Br)c1 2888832 GBUHBIRQCMORHD-UHFFFAOYSA-N 411.207 5.035 0 40 HKAB biogenic,in-vitro Cc1nn(-c2ccccc2)c2sc(C(=O)NC(c3ccccc3)c3ccccc3)cc12 3297482 QRVINCQHQMGDOZ-UHFFFAOYSA-N 423.541 5.915 0 40 HKAB CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 3340264 IIPBOFBDBUNXPW-DEOSSOPVSA-N 400.522 6.154 0 40 HKAB C[C@H]1CCc2c(sc3ncnc(Sc4nnc5sc6ccccc6n45)c23)C1 3343115 OTFGOPKPHPQLAE-JTQLQIEISA-N 409.565 5.225 0 40 HKAB O=C(CSc1cn(Cc2ccccc2)c2ccccc12)NCCc1ccccc1 4060665 UYPJCMWOLVVKEP-UHFFFAOYSA-N 400.547 5.141 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)OC3CCCCC3)n2Cc2ccccc2)c1 4167406 XZZNSNINSNEPEE-UHFFFAOYSA-N 421.566 5.270 0 40 HKAB CC(C)(C)c1ccc(NC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)cc1 5505842 IOKVAZHFOHRIBS-UHFFFAOYSA-N 415.489 5.404 0 40 HKAB Cc1ccc2ccccc2c1NC(=O)CSc1nc(-c2ccccc2Cl)n[nH]1 5519671 FKEXTBUXUWYVAO-UHFFFAOYSA-N 408.914 5.318 0 40 HKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1sc2cc(Cl)ccc2c1Cl 6252614 PFOYQQWLJCQXGC-UHFFFAOYSA-N 410.325 7.032 0 40 HKAB CCc1ccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)cc1 6747996 VLHXNEXLHGHLFB-UHFFFAOYSA-N 401.894 5.376 0 40 HKAB Cc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1 6794830 UBOFMMLGUQGMMU-FQEVSTJZSA-N 411.839 6.178 0 40 HKAB Cc1ccc(C2=N/C(=C/c3cccc(OCc4ccccc4)c3)C(=O)O2)cc1Cl 6866125 FUDJCESUPWTGDV-LPYMAVHISA-N 403.865 5.572 0 40 HKAB Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(-c4ccc(C(C)(C)C)cc4)o3)o2)cc1 7107093 BAZFUVMYABYGNO-OAHLLOKOSA-N 420.538 6.246 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)COc1ccc(Br)cc1F 7200595 RFBPUXYVYJPMCJ-UHFFFAOYSA-N 408.311 5.853 0 40 HKAB CCCCCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 7260950 IITBQIURTYQSKD-UHFFFAOYSA-N 416.392 7.396 0 40 HKAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(OCc2ccccc2)cc1 7911009 GGWJDLXOIFSQPI-UHFFFAOYSA-N 417.440 5.026 0 40 HKAB Cc1ccc(OCc2n[nH]c(SCC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 8550299 CDLDSEHZCDYHRY-UHFFFAOYSA-N 415.518 5.334 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCc3nnc(-c4ccc(Cl)cc4)o3)c2n1 8670859 LPPBNXJXJYXGBQ-UHFFFAOYSA-N 420.683 6.132 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)cc1)N(c1nc(C)cs1)C3=O 8827442 BFPVGWSZLDOCNB-SFHVURJKSA-N 422.893 5.270 0 40 HKAB COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc(OC)c1OC 9159825 SVJFFUHNFVDESD-SBUREZEXSA-N 422.506 5.016 0 40 HKAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(C(=O)c2ccccc2)cc1 9446358 STEDIHATSPTVKZ-UHFFFAOYSA-N 419.893 5.342 0 40 HKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(NC(=O)c2cccs2)cc1 9619220 QSAJDGQJFAYOJJ-UHFFFAOYSA-N 420.490 5.294 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 10314784 BLTFLSVJOWXARG-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB Cc1cccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C(F)(F)F)nn23)c1 10343823 PNJQWXLIEFOFIS-UHFFFAOYSA-N 416.834 6.429 0 40 HKAB CSc1ccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1 11836530 KJTKJIOHFMOLDN-UHFFFAOYSA-N 418.518 5.998 0 40 HKAB c1ccc(-c2cc3c(Sc4nnc5[nH]c6ccccc6n45)ncnc3s2)cc1 12557965 WAHPFHQMKFVQPF-UHFFFAOYSA-N 400.492 5.034 0 40 HKAB O=C(Nc1ccccc1Cc1ccccc1)C1C[C@@H]2CC[C@H](C1)C21SCCS1 12637335 GJNXSYIXLRARNV-SEJPIABJSA-N 409.620 5.828 0 40 HKAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2cccnc2)cc1Cl 16742102 VDMATMYQIXOIOW-LVWGJNHUSA-N 407.926 5.554 0 40 HKAB COc1ccc(-c2nc(C)c(CCNC(=O)c3ccc(C(F)(F)F)cc3)s2)cc1 16992131 DNGXWEODEMGDBN-UHFFFAOYSA-N 420.456 5.118 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(Br)cc2F)cc1 17092624 RNOLMPXKGSONJL-BJMVGYQFSA-N 421.335 5.238 0 40 HKAB COc1ccc(CN2C(=O)CS[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 17198420 POXOLTVBAWVGHT-DEOSSOPVSA-N 405.519 5.048 0 40 HKAB CCO[P@]1(=O)C=C(C)N(Cc2ccccc2)[C@@H]1c1ccc(Br)cc1 20057859 UJLPVJRJWSVRNS-YADARESESA-N 406.260 6.139 0 40 HKAB O=S(=O)(Nc1ccc(Br)cc1F)c1ccc(Oc2ccccc2)cc1 20112765 UPXRDWYATADEEV-UHFFFAOYSA-N 422.275 5.181 0 40 HKAB CCCCCNc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 20172001 AKIWZYSEKKTQOI-UHFFFAOYSA-N 409.603 5.711 0 40 HKAB CC(=O)Nc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 20310063 IGLAZVDBBWAKOU-NRFANRHFSA-N 418.884 5.550 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)c1 20411015 DSPPVKZLPLNBBH-UHFFFAOYSA-N 421.478 5.183 0 40 HKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2C)cc1 20970131 SCLRNICHOBFHKS-RUZDIDTESA-N 422.532 5.835 0 40 HKAB COc1ccc([C@@H]2NC[C@H](c3ccccc3Cl)c3c2[nH]c2ccccc32)cc1OC 24334926 FUOOGJQRZOPVRP-KOSHJBKYSA-N 418.924 5.663 0 40 HKAB Cc1nnc2sc(C(=O)Nc3c(Cl)cc(Cl)cc3Cl)c(N)c2c1C 32932384 RFBJYLRLLKPTEO-UHFFFAOYSA-N 401.706 5.103 0 40 HKAB Cc1cc(C)c2[nH]c(CSc3ccccc3NC(=O)C3CCCCC3)cc(=O)c2c1 33063915 BXXSLSKUYLQWBG-UHFFFAOYSA-N 420.578 5.956 0 40 HKAB Cc1ccccc1N(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 33595525 VHOPOPVWURRCOL-UHFFFAOYSA-N 416.340 5.153 0 40 HKAB C[C@H](NC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 33789795 JJHGYKITNHLJFA-XVQUNYFWSA-N 420.435 5.441 0 40 HKAB CCCN(C(=O)NCc1ccccc1OC)[C@@H](C)c1ccccc1Br 36395612 FRXJPMYLRYYJJV-HNNXBMFYSA-N 405.336 5.141 0 40 HKAB O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1ccc(F)cc1F 46022410 ZDBQYUABYUZGMZ-UHFFFAOYSA-N 419.522 5.260 0 40 HKAB Cc1ccc(NC(=O)[C@H](C)SC(c2ccc(F)cc2)c2ccc(F)cc2)c(C)c1 58027358 YJJMPVNESLWJKX-KRWDZBQOSA-N 411.517 6.431 0 40 HKAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)Nc1cccc(-n2cc[nH]c2=S)c1 65554767 HVOJHWKPEMUZHQ-FNORWQNLSA-N 423.847 5.859 0 40 HKAB O=C(NCc1cc(-c2cccc(Cl)c2)no1)c1cc(-c2cccc(Cl)c2)no1 66089064 QPMJWQQTEDIKFO-UHFFFAOYSA-N 414.248 5.233 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(Cl)cc4)nccn3n2)cc1C 67289868 DCNQFUSWUNKDMC-UHFFFAOYSA-N 422.941 5.397 0 40 HKAB COc1cc(OC)c(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1Cl 71760912 JKWQANAAGMQZBR-UHFFFAOYSA-N 406.813 5.065 0 40 HKAB CC(C)(C)OC(=O)N1CC[C@H]([C@H]2CN(C(=O)OCc3ccccc3)c3ccccc32)C1 91302602 IOSWBGQPCIQBBW-PZJWPPBQSA-N 422.525 5.184 0 40 HKAB Cc1ccc(CSc2ncnc3sc(-c4nc5ccccc5[nH]4)c(C)c23)cc1 95471895 GUENOKPZNHJFEE-UHFFFAOYSA-N 402.548 6.144 0 40 HKAB CN(C)c1ccc(N2CC(O)=C(c3nc(-c4ccc(Cl)cc4)cs3)C2=N)cc1 102721494 ZMTSPUVBBWBNSZ-UHFFFAOYSA-N 410.930 5.296 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 218989991 WWLSLXJKHSCFCY-UHFFFAOYSA-N 423.896 5.656 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 223032430 PPIFXDFZZXTFSJ-WOJBJXKFSA-N 417.933 5.233 0 40 HKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CC1 223375097 CKLYRWMLFRGDBJ-DHIUTWEWSA-N 402.567 5.008 0 40 HKAB COc1ccc(OCc2cc(C(=O)Nc3ccccc3SC)ccc2OC)cc1 224270958 QABFWLFCIBMFOA-UHFFFAOYSA-N 409.507 5.257 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)c1 224297547 DLHQNYYSWCPYJZ-ZEQRLZLVSA-N 418.610 5.875 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1snnc1-c1ccc(Cl)cc1 225770329 WHUSYZAOHQOADR-UHFFFAOYSA-N 421.909 5.690 0 40 HKAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1C(C)C 225790920 PZVMIEKDYHWLTQ-UHFFFAOYSA-N 411.523 5.720 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NC2(c3cccs3)CCCC2)cc1Cl 225866812 OVNLYJNLWQVWMO-UHFFFAOYSA-N 408.976 5.334 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)c1cc(-c2ccc(Cl)cc2)on1 225899948 RVBZQFBLHPTFPA-UHFFFAOYSA-N 406.894 6.399 0 40 HKAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@H]5CCCCO5)CC[C@]4(C)[C@@H]3CC[C@]12C 253497632 JNLBJTOWMWKEJV-DEPYIESZSA-N 418.618 5.873 0 40 HKAB Oc1nc(-c2ccc(-c3cccc(Cl)c3)o2)nc2ccc(Br)cc12 253536050 FSEZMLOZQMLCGZ-UHFFFAOYSA-N 401.647 5.678 0 40 HKAB COc1ccccc1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257271888 NAFJMFJABOEHPV-OAQYLSRUSA-N 424.928 5.224 0 40 HKAB COc1cccc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3cccc(Cl)c3)O2)c1F 257281181 OOAFNVJTLBWXSY-MZKRTTBSSA-N 419.924 5.611 0 40 HKAB O=C(Nc1ccc(Br)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 408925098 MBJAQHUAGZLMTP-XMHGGMMESA-N 412.714 6.282 0 40 HKAB O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1CCc1ccccc1 409006757 LGSFRFKCHULRGU-ZHZULCJRSA-N 409.894 5.879 0 40 HKAB C[C@@H](CCC[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 605706380 SQTAVUCHOVVOFD-XIZVEZSISA-N 414.630 6.662 0 40 HKAB O=C(CC1CCCC1)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 643550237 AHPKVESSEORCKF-GOSISDBHSA-N 422.960 5.336 0 40 HKAB COc1ccc(-c2ccc3c(c2)CN(C(C)C)CCCCCCCN3C(C)=O)cn1 643579405 WXRHUCXIHUPSDE-UHFFFAOYSA-N 409.574 5.285 0 40 HKAB Cc1cc(-c2nn3c(CSCc4ccccc4)nnc3s2)c2ccccc2n1 1501039854 AANYZWJLPPTVHE-UHFFFAOYSA-N 403.536 5.143 0 40 HKAB CCSc1ccccc1NC(=O)c1sc2nc(-c3cccs3)ccc2c1N 661115 KXJDZDWOJHOASP-UHFFFAOYSA-N 411.577 5.971 0 40 HKAB O=C(O)c1ccccc1SC(Sc1ccccc1C(=O)O)c1cccs1 1599628 IGFSJYAEPAKGSG-UHFFFAOYSA-N 402.518 5.728 0 40 HKAB CCOP(=O)(OCC)[C@@H](Nc1ccccc1)c1cc(OC)c(OC)c(OC)c1 1835571 CYKQKAJIAQZTHQ-HXUWFJFHSA-N 409.419 5.089 0 40 HKAB Cc1cc(C)cc(COc2ccc3c(-c4cc5ccccc5oc4=O)cc(=O)oc3c2)c1 2124835 YPXXBQJNEHGWIC-UHFFFAOYSA-N 424.452 5.762 0 40 HKAB COc1ccc([C@@H]2C3=C(N=C4SC=C(c5ccccc5)N42)c2ccccc2CC3)cc1 2338424 SNUVWUQXQNZOPQ-AREMUKBSSA-N 422.553 6.511 0 40 HKAB O=C(Oc1cc(-c2ccccc2Cl)c2oc(=O)sc2c1)c1ccc(Cl)cc1 2354835 RVBVYHNXOLMZFI-UHFFFAOYSA-N 417.269 6.048 0 40 HKAB Clc1ccc2c(c1)C1=C([C@H](c3ccccc3)n3ncnc3N1)[C@H](c1cccs1)O2 2707243 HVKOWBOZZXKVRD-SFTDATJTSA-N 418.909 5.553 0 40 HKAB CCOc1ccc(NC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)cc1 2759501 NFEUYKLUFFMOMB-UHFFFAOYSA-N 424.544 6.850 0 40 HKAB CCOc1cccc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)oc12 2951573 YQEKHEKHOZIVJY-UHFFFAOYSA-N 401.418 5.236 0 40 HKAB C[C@@H](Sc1ccc2c(c1)OCCO2)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3279040 FXJRPCMBLHLOGB-SECBINFHSA-N 418.729 5.537 0 40 HKAB O=S(=O)(c1cccc(Cl)c1Cl)N(Cc1ccccc1)Cc1ccccc1 3319759 DLNWXWFPLRAUTR-UHFFFAOYSA-N 406.334 5.385 0 40 HKAB COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cc(C)ccc1C)c1ccccc12 3368315 FUXFBPTWNRPPNN-UHFFFAOYSA-N 423.490 5.099 0 40 HKAB CCc1ccc(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1 4036393 CITPWSREZNQCHK-UHFFFAOYSA-N 409.536 5.030 0 40 HKAB CCCCCN(CCCCC)CCCCCCCCN1CCCc2ccccc21 4366641 LYHQUWCTSZHPPX-UHFFFAOYSA-N 400.695 7.462 0 40 HKAB Cc1cc(C)c(C)c(Cn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1C 4386036 IFNNDMSNILQIRJ-HXUWFJFHSA-N 403.570 5.433 0 40 HKAB CCOc1ccccc1NC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CC[C@H](C)C2 4501638 BPVDJOZWUCIYIM-AWEZNQCLSA-N 414.571 5.509 0 40 HKAB Cc1ccccc1N1C(=O)c2ccccc2N[C@]1(C)CCc1ccc2c(c1)OCO2 4543508 ACNDUGQOWQDDLN-VWLOTQADSA-N 400.478 5.145 0 40 HKAB CCCCOc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3ccc(C)cc3)no2)cc1 4574112 WXIWQZWJQDRIRP-OAQYLSRUSA-N 405.498 5.201 0 40 HKAB C[C@H](NC(=O)COc1cc(Cl)c(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 4657370 KGBYAJFZJPIWCE-ABROSTTOSA-N 416.776 5.747 0 40 HKAB Cc1ccc(Nc2c(-c3cc(Br)ccc3O)nc3ncccn23)c(C)c1 4734238 YSTSQCMDBZLUPJ-UHFFFAOYSA-N 409.287 5.225 0 40 HKAB c1ccc(NCc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 5249840 KIBHQYJBTZIBEF-NDEPHWFRSA-N 403.529 6.654 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1Cl 5501538 MQMAEZFNHUTMOS-UHFFFAOYSA-N 407.326 5.003 0 40 HKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(I)cc1 6277451 CSCSTIUEBYGDAU-UHFFFAOYSA-N 413.258 5.139 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2C)c(C)c1 6362181 MODPMEYZGLILGH-UHFFFAOYSA-N 411.592 6.013 0 40 HKAB Cc1ccc2nc(-c3cc(NC(=O)c4ccc(C)c(Cl)c4)ccc3Cl)oc2c1 6504137 PXMCCZSTZZZXOT-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB Cc1nc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)cs1 6532482 DTMMSVBQJZGOGV-UHFFFAOYSA-N 402.932 5.297 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)OCc1ccc(-c2cccc(Cl)c2Cl)o1 6861724 DYDAXVYADLDPQU-IZZDOVSWSA-N 407.680 6.663 0 40 HKAB COC[C@@H](C)n1c(SC(c2ccccc2)c2ccccc2)nc2ccccc2c1=O 6900732 BYFQNXHRZILVBE-GOSISDBHSA-N 416.546 5.486 0 40 HKAB CCN(CC)Cc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 6949768 ADJIJRNWIGDLSE-UHFFFAOYSA-N 411.343 5.696 0 40 HKAB CCN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)S/C1=N/c1ccc(OC)cc1 6954449 LBTMFEULHZTUPC-NEHLPSIOSA-N 404.491 5.579 0 40 HKAB Cc1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c(C)n1-c1ccc(F)cc1 6961670 FTACEGKGYYATCE-KOEQRZSOSA-N 408.476 6.452 0 40 HKAB C[C@@H]1CCc2sc(-c3nnc(SCC(=O)c4c[nH]c5ccccc45)o3)cc2C1 8328090 SUPCZECMPFIDCU-GFCCVEGCSA-N 409.536 5.379 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 8590490 RMIXCDHXYAXZJQ-UHFFFAOYSA-N 422.937 6.658 0 40 HKAB aggregator CSc1nc(N2CCCC[C@@H]2C)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 8657506 TUNXHEIKDCFDFK-ZDUSSCGKSA-N 412.628 5.952 0 40 HKAB CCN(CC)c1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 8707110 GZSJFXUZLINDDF-UHFFFAOYSA-N 406.913 5.670 0 40 HKAB O=C(Nc1ccccc1Cl)c1ccc2c(c1)C[C@H](c1ccc(Cl)cc1)OC2=O 12274612 NPQAFMZTTBCTCC-HXUWFJFHSA-N 412.272 5.700 0 40 HKAB CCCOc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 12938257 ZBKXJXBFQJEAPD-DEOSSOPVSA-N 406.551 5.123 0 40 HKAB CCN(CC)[C@@H](CNc1ncnc2sc3c(c12)CCCC3)c1ccccc1Cl 13041952 HXRYJWARMGFFCX-SFHVURJKSA-N 415.006 5.719 0 40 HKAB COc1cc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]2)cc2c1OCO2 13284581 XNVJEJGFPYYHPX-UHFFFAOYSA-N 404.853 5.801 0 40 HKAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 14401043 KBOKDSGQOOADLG-HSZRJFAPSA-N 407.535 5.784 0 40 HKAB CC(C)Oc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 14664086 NQSXLAQAGCEWBV-SFHVURJKSA-N 402.494 5.217 0 40 HKAB COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4Cl)cc3c2C)c1 15729496 WIERRYDDNBVELU-UHFFFAOYSA-N 419.864 5.887 0 40 HKAB biogenic Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)c(C)c4)ccc3o2)c(C)c1 17092485 ZXHAPHYSPFIYCO-UHFFFAOYSA-N 420.896 6.091 0 40 HKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc2ccccc2c1 17093081 UXUCJPZNWDBQPT-UHFFFAOYSA-N 422.484 6.526 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1C 17093385 WIIIHYPUOQVEKJ-UHFFFAOYSA-N 422.937 6.251 0 40 HKAB CC(=O)c1ccc(OC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 18185443 XGXDBYJFOWMIOQ-UHFFFAOYSA-N 401.340 5.315 0 40 HKAB COc1cccc(Cc2ccc([C@H]3CCCN3Cc3ccnc4ccccc34)nc2)c1 19687275 IMHOEUSTZYAVSX-HHHXNRCGSA-N 409.533 5.566 0 40 HKAB COCc1ccc(C(=O)N2CCC[C@H]2c2cc(Cc3ccccc3C)cc(C)n2)cc1 19692008 VJYBIHBKUBXSFF-SANMLTNESA-N 414.549 5.413 0 40 HKAB O[C@]1(c2ccc(Cl)c(Cl)c2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCCC2 22408804 TTWUILXRERVXHL-FQEVSTJZSA-N 410.752 5.297 0 40 HKAB CCOc1ccc(Nc2cc(C)nc3c(C)c(-c4ccc(OC)c(OC)c4)nn23)cc1 23118883 XFOSZOCQFDEXGR-UHFFFAOYSA-N 418.497 5.173 0 40 HKAB CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 24967494 JUOXPMXZDVMYSQ-CQSZACIVSA-N 419.472 5.178 0 40 HKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1cc(-c2ccco2)on1 25956459 KCRZTQOMDDQYER-UHFFFAOYSA-N 424.460 5.060 0 40 HKAB O=C(NC[C@@H](c1cccs1)N1CCCCCC1)C(c1ccccc1)c1ccccc1 27662761 SKBHIUQZYBUXFV-QHCPKHFHSA-N 418.606 5.614 0 40 HKAB Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3cnccn23)c(Br)c1 35373575 RZWWAGJSHPPLDY-UHFFFAOYSA-N 418.298 5.692 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1)n1nc(Nc2ccccc2)cc1Nc1ccccc1 36489961 MGEWIXZTNYCNPQ-UHFFFAOYSA-N 424.913 5.261 0 40 HKAB O=C1c2c(oc3ccccc3c2=O)[C@@H](c2ccc(Cl)cc2)N1CCc1ccccc1 41104998 TZEUPGXGZPWTCY-JOCHJYFZSA-N 415.876 5.234 0 40 HKAB CCc1ccccc1NC(=O)CN(C)C(=O)Nc1c(CC)ccc(Cl)c1CC 43388810 RERKWHWGTOSKFY-UHFFFAOYSA-N 401.938 5.130 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)c(Cl)c1 44945707 SSWYVJPOBMRHPF-QGZVFWFLSA-N 412.338 5.680 0 40 HKAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2ccccc2Cl)[nH]n1 57412251 OUUGMXYOPSBSNP-UHFFFAOYSA-N 401.853 5.213 0 40 HKAB CN(c1ccccc1)c1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72214288 FPAFZEOHUDPGDN-QHCPKHFHSA-N 401.510 5.713 0 40 HKAB CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cccc3cccnc23)C1 72352448 WKZPSTNUGHQAIJ-GOSISDBHSA-N 415.562 5.141 0 40 HKAB CCc1nc(-c2c(C)[nH]c(-c3ccccc3)c2-c2c(-c3ccccc3)noc2CC)n[nH]1 77099420 CVQIJJWEIBRQFL-UHFFFAOYSA-N 423.520 6.222 0 40 HKAB Cc1cc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)c(C)n1Cc1cccs1 95469747 JHCHVHZEJQYUSK-UHFFFAOYSA-N 416.930 5.282 0 40 HKAB CCc1ccc(N2C(=O)N(C(=O)c3ccco3)[C@H]3C[C@@]2(C)Oc2ccccc23)cc1 100033480 NTBIMWRXTURUIY-YADARESESA-N 402.450 5.164 0 40 HKAB N=c1c2c(ncn1Cc1ccco1)Oc1c(ccc3ccccc13)[C@H]2c1ccccc1 101105733 LKXYHGQRIWQASP-JOCHJYFZSA-N 405.457 5.443 0 40 HKAB aggregator COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn(CC(C)C)c(=N)c32)cc1 101109067 FSWOIRXYLOOYNF-QFIPXVFZSA-N 411.505 5.466 0 40 HKAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N[C@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)c12 101551680 JFULHIBXQNDSLL-STQYRHOTSA-N 414.553 5.161 0 40 HKAB CCOc1cc(CNc2ccc(Br)cc2)cc(Br)c1OC 106956679 OPPDZMORQXSRNC-UHFFFAOYSA-N 415.125 5.231 0 40 HKAB Clc1ccc(COc2ccc(CNc3ccccc3)cc2Br)cc1 106982289 OZBSBZRAFFRPCA-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB CCOP(=O)(Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1)OCC 145146189 VXWMNVRSHCBONS-UHFFFAOYSA-N 413.429 6.684 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)Oc1cccc3ccccc13)CC(C)(C)O2 219046360 ORKRXZOEBGACAX-HRAATJIYSA-N 405.494 5.034 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)c(C(=O)OC)c1 222922977 OHAYBYDBJJDDKR-LJQANCHMSA-N 403.906 5.220 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 223366215 PHOHBNGDSZQAGT-NKFKGCMQSA-N 424.456 5.482 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccc(C)cc1 224468955 FLZHFTZQULRVNU-UHFFFAOYSA-N 421.493 5.242 0 40 HKAB Cc1cc(C)cc(CC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCCC2)c1 224731918 MVAFAHASCMFVEO-JOCHJYFZSA-N 420.597 5.021 0 40 HKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 225101109 YNBNZAYSHWSUKT-RUZDIDTESA-N 420.597 5.184 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCc3cccc(F)c3)c2)cc1 225837289 HMLAWUHKIWGHHT-UHFFFAOYSA-N 420.553 5.841 0 40 HKAB CC(C)C/C=C\[C@H](C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 245241080 XBGUSQBSWPZOOX-NPDWHPQPSA-N 414.630 6.229 0 40 HKAB CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)on1 257313326 URXJEYXFRTXNST-LJQANCHMSA-N 413.905 5.398 0 40 HKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)N2C(c3ccccc3)=CSC2=N1 408990179 NCMYBYVEPHPNOP-XMMPIXPASA-N 423.541 6.057 0 40 HKAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(C)cc1OC 409061234 CCBCJQYIRVHICY-WQRHYEAKSA-N 403.887 5.297 0 40 HKAB CCCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 409095661 INGMFAOKKYKNMD-UHFFFAOYSA-N 412.773 6.608 0 40 HKAB CCCc1sc2nc(SCCc3ccccc3)n(-c3ccccc3)c(=O)c2c1C 409112528 GRPUEMBAPPUFLI-UHFFFAOYSA-N 420.603 6.043 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 409115829 LAXQJZBFERLWKF-UHFFFAOYSA-N 411.457 6.043 0 40 HKAB Cc1nc2ccccc2n1[C@H]1CCN(C(=O)c2cccc(Oc3ccc(F)cc3)c2)C1 575617910 SMFCRSVBUPIWJO-FQEVSTJZSA-N 415.468 5.363 0 40 HKAB NCCNC(=O)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1772714911 GLZNSLXQRGXAQP-UHFFFAOYSA-N 418.540 5.383 0 40 HKAB Cc1cc(C)c(S(=O)(=O)N2c3ccccc3Oc3nc4ccccc4nc32)c(C)c1 984209 XXLMONMQBWXBTL-UHFFFAOYSA-N 417.490 5.188 0 40 HKAB COc1ccccc1[C@@H]1c2c(-c3ccc(C)cc3)n[nH]c2C(=O)N1c1ccc(F)cc1 1097736 NRHYIFUEKFEVOU-XMMPIXPASA-N 413.452 5.283 0 40 HKAB O=C(c1ccc(F)cc1)N1CCc2cc(-c3csc(NC4CCCCC4)n3)ccc21 1354404 VOVAVDILFRLMTF-UHFFFAOYSA-N 421.541 5.897 0 40 HKAB CC(C)=C[C@H]1[C@H](C(=O)Oc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)C1(C)C 1664937 RSZXHSOZHNQRLF-JGVFFNPUSA-N 416.559 7.097 0 40 HKAB CCCCCCc1c(C)c2ccc(OCC(=O)c3ccc(Cl)cc3)cc2oc1=O 1902748 CEGUMRPBMFHUJT-UHFFFAOYSA-N 412.913 6.139 0 40 HKAB biogenic Cc1ccc(-n2ncc3c(SCc4ccc(Cl)c(Cl)c4)ncnc32)cc1 2224624 DPYZNRNCBBPIGZ-UHFFFAOYSA-N 401.322 5.723 0 40 HKAB CC(C)Oc1cccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2N)c1 2382249 FOYFPALFPYYYLT-UHFFFAOYSA-N 409.342 5.045 0 40 HKAB CCCSc1nc(NC2CCCCC2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2383076 ZNOIHJZKZDUNPZ-NRFANRHFSA-N 405.633 6.179 0 40 HKAB Cc1ccc(OCCSc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1 2627821 GQCIRBQVFWVXQC-UHFFFAOYSA-N 402.523 5.117 0 40 HKAB O=C(Nc1ccc(Br)cc1Br)c1cnc(Cl)c(Cl)c1 2653100 WBDHBXALFVXQKC-UHFFFAOYSA-N 424.907 5.166 0 40 HKAB CC[C@H](C)Nc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 2655721 OYXUHZYVXQIKLL-LBPRGKRZSA-N 404.004 6.336 0 40 HKAB Cc1cc(NC(=S)Nc2ccc(SC(F)F)cc2)ccc1Br 2663400 QRHXWQYQYANMNV-UHFFFAOYSA-N 403.317 5.881 0 40 HKAB O=C(Cc1ccc(Cl)cc1)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 2669396 UFNBNQVVXGNNKI-UHFFFAOYSA-N 411.741 5.875 0 40 HKAB CCN(CC)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 2974876 IUKRMXNOJCVJNH-UHFFFAOYSA-N 421.342 5.696 0 40 HKAB Cc1cccc(O[C@H](C)C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)c1C 3655505 VUEFDCLLNSSZMN-GOSISDBHSA-N 413.473 5.687 0 40 HKAB COc1ccc(-c2ccc(C3=NNC(c4cccnc4)=Nc4ccc(C)cc43)cc2)cc1 4161615 CKIAOLRRKVRLKP-UHFFFAOYSA-N 418.500 5.500 0 40 HKAB Clc1ccc(-c2nnc(SCCCc3ccccc3)n2-c2ccccc2)cc1 4285963 PNFDZCVGELPMOO-UHFFFAOYSA-N 405.954 6.313 0 40 HKAB CCCC[C@H](CC)CNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 4742884 VMRWVBSYVSRYBQ-BVZFJXPGSA-N 417.553 5.046 0 40 HKAB Cc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccc(C)cc3)C2)cc1 4811756 XSIRDCWQETUNSP-DEOSSOPVSA-N 404.535 5.152 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1Cl 5197630 KHKCGRJMLXBOIE-UHFFFAOYSA-N 410.832 5.938 0 40 HKAB COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1 5451183 IHKRMCFNGNOFAO-UHFFFAOYSA-N 402.450 5.471 0 40 HKAB COc1cccc(-c2nc(Oc3ccc(Cl)c(C)c3C)c3ccccc3n2)c1O 5561963 KWXDRWWYSJAPFC-UHFFFAOYSA-N 406.869 6.074 0 40 HKAB CCOc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 5750742 YSIDKGCCXPHSHR-KRWDZBQOSA-N 405.450 5.062 0 40 HKAB COc1ccc(C)cc1NC(=O)CSCc1nc(-c2ccc(C(C)C)cc2)no1 6850461 RLQKXSMVTFSTIG-UHFFFAOYSA-N 411.527 5.049 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnc2n1CCCCC2)c1ccccc1 6942769 XPZVRWWLFDAVLG-JOCHJYFZSA-N 402.523 5.202 0 40 HKAB CC(C)c1ccc(-c2nc(CSCC(=O)Nc3ccccc3F)cs2)cc1 7001215 PSLVRYDTGPHMBX-UHFFFAOYSA-N 400.544 5.945 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)cc2)cc1 7927993 QEHPRFFJIHVCPI-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB O=C(CSc1nc2ccc(Cl)cc2o1)N[C@H](c1ccccc1)c1cccs1 7948971 QHULBCORSLGADG-LJQANCHMSA-N 414.939 5.541 0 40 HKAB CCN(CC)c1ccc(-c2nnc(SCc3nc4ccccc4s3)n2C)cc1 8720491 XLSPCSUBYQBEJZ-UHFFFAOYSA-N 409.584 5.230 0 40 HKAB COc1cc(/C=C/C(=O)N2CCC[C@@H]3CCCC[C@H]32)ccc1OCc1c(C)noc1C 9377933 DZXMYTQQCUBXMW-AZVDTTTQSA-N 424.541 5.073 0 40 HKAB C/C(=C\c1ccccc1)CN1CCC([C@@H](NC(=O)C(C)(C)C)c2nccs2)CC1 12365690 HSJYMBUVKFYCJR-XXJLXKPQSA-N 411.615 5.162 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3c(Cl)cccc3Cl)cc12 12600213 BPXDJOVXVATHGT-UHFFFAOYSA-N 420.296 6.094 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 12661350 YSWDCQJTPYALJE-OIOPJQQXSA-N 404.635 6.742 0 40 HKAB biogenic Clc1ccc(OCc2nc(-c3cccc(Br)c3)no2)c(Cl)c1 12843365 GEOMRUQBYFURBZ-UHFFFAOYSA-N 400.059 5.385 0 40 HKAB Cc1noc(CSc2ccccc2C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)n1 12909381 PAAOMHJJEKSYRJ-HBDGIVRWSA-N 411.571 5.005 0 40 HKAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc(Cl)s1 13108012 OSBZPLDGEXKAIM-UHFFFAOYSA-N 415.927 5.276 0 40 HKAB COc1ccccc1C1=N/C(=C\c2ccc(-c3ccccc3Br)o2)C(=O)O1 13165102 CWFXFWHCHAPLEB-ATVHPVEESA-N 424.250 5.062 0 40 HKAB CCCCCCOc1ccccc1C(=O)Nc1ccc(OCCc2ccccc2)cc1 14668963 RVRVQJLZROQZFR-UHFFFAOYSA-N 417.549 6.520 0 40 HKAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SC/C=C/c2ccccc2)o1 15987283 YEGQVJSGHRYIDS-UJDGICINSA-N 403.548 5.487 0 40 HKAB CCOc1cc(CNCc2cccs2)cc(Cl)c1OCc1ccccc1Cl 16688702 CSKFSTKCHYTIOV-UHFFFAOYSA-N 422.377 6.322 0 40 HKAB Cc1cccc(C2=N/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C(=O)O2)c1 17086217 RHMSYGSBMUTBJA-LDADJPATSA-N 408.251 5.362 0 40 HKAB O=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)c1nc(Cl)ccc1Cl 18705807 IYSGYBKIYWIBEZ-UHFFFAOYSA-N 407.257 5.156 0 40 HKAB Cc1cc(Nc2ccc(OCc3ccc(Cl)cc3)cc2)c2cc(C(=O)O)ccc2n1 19795567 YUOYHSLJECLGJJ-UHFFFAOYSA-N 418.880 6.217 0 40 HKAB Cc1cc(NC(=O)c2cccc(OCc3ccccc3)c2)ccc1-c1ccc(CO)o1 20144978 VBNASGINDVXSHK-UHFFFAOYSA-N 413.473 5.579 0 40 HKAB COc1ccc(CNCC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 20365342 BGVKRGSSHQCQDF-UHFFFAOYSA-N 402.321 5.028 0 40 HKAB CC[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C)cc1 20450800 CSXUWPAATXEXRB-QHCPKHFHSA-N 409.982 6.822 0 40 HKAB Cc1ccccc1[C@@H](NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1)c1ccccc1 20494106 QKBHRPVEPHFSSN-CYFREDJKSA-N 407.941 5.938 0 40 HKAB COc1cccc(-c2nc(CSC3=Nc4ccccc4CS3)cs2)c1OC 21627689 XDOZNNGTSJKHHC-UHFFFAOYSA-N 414.577 5.995 0 40 HKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 22512035 IFDJSFKQFTXUQO-SFHVURJKSA-N 409.913 6.464 0 40 HKAB S=c1n(-c2ccccc2)cnn1CN1CCc2sccc2[C@H]1c1cccs1 23855522 NDDFKRGBKUYPSN-IBGZPJMESA-N 410.593 5.131 0 40 HKAB COc1ccc(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCCCC2)cc1Cl 27584049 MKSBZNBGOHQRDA-NRFANRHFSA-N 400.950 5.004 0 40 HKAB CCN(CC)[C@H](CNC(=O)COc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 28290605 XHIWTVWRNROGJK-JOCHJYFZSA-N 416.993 5.216 0 40 HKAB CCN(CC)[C@@H](CNC(=O)c1sc2cc(C)ccc2c1Cl)c1ccccc1 28292473 PSTUQAHKISYVJY-SFHVURJKSA-N 400.975 5.676 0 40 HKAB CC(C)c1ccc(C(=O)NC(=S)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 32127269 VCHVCXBNQQGGKY-UHFFFAOYSA-N 424.378 5.853 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)N2c3ccccc3Sc3ccccc32)cc1 38755177 HZHMJCPXTXEETE-HXUWFJFHSA-N 418.562 6.795 0 40 HKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(-n2cncn2)cc1C(F)(F)F 40119370 UWLFCFKEJOYENJ-UHFFFAOYSA-N 422.410 5.134 0 40 HKAB CCCC(=O)N1CCC(C(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)CC1 72280647 UBJRXTKHTOYXQG-UHFFFAOYSA-N 416.974 5.468 0 40 HKAB Cc1nc(CC(=O)N2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)cs1 72350054 PRDDNPPMUWMJPL-KRWDZBQOSA-N 411.958 5.116 0 40 HKAB Cc1nc(CNc2cc(F)ccc2OC[C@@H]2CCCO2)oc1-c1ccc(Cl)cc1 79103609 GYXYZFBJCMFWHT-SFHVURJKSA-N 416.880 5.612 0 40 HKAB O=C(OC1CCN(c2ccc(Cl)cn2)CC1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 84502252 ALFJKSGRVNBNMB-SJORKVTESA-N 424.850 5.070 0 40 HKAB CC(C)c1ccc([C@@H](O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 84625078 KWPPDUOTVJZDAY-HNNXBMFYSA-N 415.868 5.351 0 40 HKAB Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3Cl)C[C@H]2c2ccccc2)cc1 97104909 ZATAWRVGESORRM-QFIPXVFZSA-N 410.926 5.188 0 40 HKAB O=S1(=O)[C@@H]2C=CC=C[C@@H]1c1c2c(-c2ccccc2)c2ccccc2c1-c1ccccc1 101047813 GDVYVXDSJJLKOV-DNQXCXABSA-N 420.533 6.810 0 40 HKAB O=C1/C(=C/Nc2cc(Cl)cc(Cl)c2)c2ccccc2C(=O)N1c1nccs1 102322254 QTRKAQYZXUZRIK-MHWRWJLKSA-N 416.289 5.090 0 40 HKAB COc1ccc2c(c1)c(C[C@@H](C)NC(=O)c1c(C)c3cc(Cl)ccc3n1C)cn2C 141598470 UMQDYXYGCNCSRR-CQSZACIVSA-N 423.944 5.001 0 40 HKAB Cc1cc(C)nc(Nc2ccc(C(=O)NC(c3ccccc3)c3ccccc3)cc2)n1 170569284 DLNGBYBGUNUFMQ-UHFFFAOYSA-N 408.505 5.356 0 40 HKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2ccc(Br)cc2)C1=O 214891947 XQBKJVFCXXXDET-JOEZZVDMSA-N 414.324 5.632 0 40 HKAB CCCOc1ccccc1CCCNC(=O)c1ccccc1OCc1ccccc1 218987264 KEDCESVOOQOJJK-UHFFFAOYSA-N 403.522 5.417 0 40 HKAB Fc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224175730 DXWRNCLCMUYORQ-XZOQPEGZSA-N 414.509 5.189 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccccc1OC 224581781 VTCDMJYHORYJOP-UHFFFAOYSA-N 423.534 5.647 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(Oc2ccccc2)cc1 225292675 QWWSWYFTPUIVHY-UHFFFAOYSA-N 401.890 6.143 0 40 HKAB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)Nc1ccc(Cl)cc1 225338084 OXPZDLAPSUAXHC-UHFFFAOYSA-N 405.910 5.707 0 40 HKAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1Cl 225546820 DZPURXWFTDZERS-MRXNPFEDSA-N 419.924 5.733 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)c1 225660315 NPMFYMRIYVCHDT-CQSZACIVSA-N 404.963 5.169 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C(=O)OCC 225675596 WZXXEIIRTVDJAO-UHFFFAOYSA-N 409.526 5.493 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)c1 225765342 PMFOAFSVADSFKU-IBGZPJMESA-N 404.963 5.427 0 40 HKAB Cc1cc(C)nc(Nc2cccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c2)n1 225915525 RTWOSAQUWRMNBO-UHFFFAOYSA-N 422.532 5.680 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)cn1 225934268 HZJNJVOBRTUEDF-UHFFFAOYSA-N 406.913 5.198 0 40 HKAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 226282145 RCKAKWQASHYDER-UHFFFAOYSA-N 418.802 6.217 0 40 HKAB O=C1[C@H]2[C@H](C[C@H](c3ccccc3)N2Cc2ccccc2Cl)CN1c1ccccc1 257244599 IMALNBSVELLDES-AGILITTLSA-N 402.925 5.319 0 40 HKAB CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CCC(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12 257348515 GOAKSZGUPAKILO-LZAOZXTFSA-N 410.730 8.910 0 40 HKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260816946 SLESWSKNIAROBD-HYBUGGRVSA-N 404.595 5.254 0 40 HKAB CCCCOc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(F)cc3)n2CC)cc1 408560056 BRJQYEAFRIVSBK-BZZOAKBMSA-N 412.530 5.604 0 40 HKAB C[C@@H](CCc1ccccc1)NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408676435 NZFXRCBYEKUTKF-SFHVURJKSA-N 414.480 5.066 0 40 HKAB O=C(Nc1ccc2ccccc2c1)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 408697289 IMZDVSBEUSMBJV-UHFFFAOYSA-N 424.891 5.993 0 40 HKAB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccccc2Cl)C1=O 408801373 AHOCJSIWSYVHOA-YLXKOEIFSA-N 411.978 6.394 0 40 HKAB CC(C)CN1C(=O)S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C1=O 409134042 VKTJQIKKOYEOBQ-HMAPJEAMSA-N 420.534 5.413 0 40 HKAB O=C(CSCc1ccccc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1 409255122 GHGMILZFDDBXNI-UHFFFAOYSA-N 418.345 6.658 0 40 HKAB CC(C)C[C@@H](C(=O)N1CCC[C@H]1c1nc2ccccc2n1CC(C)C)n1cccc1 575443086 GJLLYKUCXPQLIK-GOTSBHOMSA-N 406.574 5.445 0 40 HKAB O=C(/C=C/c1ccco1)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 667098 YYQHZAYMQQURAG-VQHVLOKHSA-N 401.249 5.491 0 40 HKAB CCOc1ccc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)c(C)cc2c1 915638 QWWKOKQQCPCOHR-UHFFFAOYSA-N 420.456 5.692 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 1102476 ZQPARLLUTJIORX-UHFFFAOYSA-N 407.919 5.106 0 40 HKAB FC(F)(F)c1cccc(CSc2nnc(-c3sccc3-n3cccc3)o2)c1 1398822 FLUGICUNQYGZNY-UHFFFAOYSA-N 407.442 5.900 0 40 HKAB COc1ccc(C2=C[C@H](c3ccccc3)[C@H]3CCCC[C@]34Nc3ccccc3N24)cc1 2116282 VCIWUKDDAJEZBS-PRVBGKCFSA-N 408.545 6.652 0 40 HKAB biogenic Fc1ccccc1-n1nc2c(Cl)nnc(-c3ccccc3)c2c1-c1ccccc1 2181159 WQGXJOLOVZMENN-UHFFFAOYSA-N 400.844 5.942 0 40 HKAB Cc1cc(C)nc(S[C@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 2764300 SOQLMYPUTHQEGK-PMACEKPBSA-N 418.628 5.268 0 40 HKAB Cc1cccc(NC(=O)CSc2nccc(-c3ccc(OC(F)F)cc3)n2)c1C 2806762 VRUJJTXZZXKRPS-UHFFFAOYSA-N 415.465 5.093 0 40 HKAB O=C(Oc1c(Sc2ccc(Cl)cc2)c(=O)oc2ccccc12)c1ccccc1 3170523 UALOFRRFULPHES-UHFFFAOYSA-N 408.862 5.817 0 40 HKAB Cc1ccc(NC(=O)CSc2nc(Nc3ccccc3)c3ccccc3n2)cc1 3339890 VGFIHIZLJBYFPP-UHFFFAOYSA-N 400.507 5.413 0 40 HKAB CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC(=O)O 3799204 BJHPHCBHTOHNEI-KDSGDVRDSA-N 400.647 8.723 0 40 HKAB CCCCN(C[C@@H](O)c1cc2ccccc2o1)C(=O)Nc1cccc(C(F)(F)F)c1 4771819 MLOFZINHHRPJDW-GOSISDBHSA-N 420.431 5.819 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)c1 4838552 QJSMEOFOUHOSFP-UHFFFAOYSA-N 400.478 6.234 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)c3cccc(F)c3)C3CCCC3)cc2c1 4861297 ASLRGQWMNXFMAS-UHFFFAOYSA-N 410.920 6.229 0 40 HKAB CCc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(F)cc4)c3c2c1 4970340 JJHLGWXGIABNGO-UHFFFAOYSA-N 401.872 6.596 0 40 HKAB Cc1cc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)no1 5259880 MWDYBGDHAXVFGZ-UHFFFAOYSA-N 400.866 5.316 0 40 HKAB O=C(c1ccc(F)cc1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 5734511 NKELGKZCMVRODQ-JTFXRCSXSA-N 410.492 6.263 0 40 HKAB CCCCCSc1nc2ccccc2n1CC(=O)NCc1ccccc1Cl 6160070 VKUUAGSNSQZJCB-UHFFFAOYSA-N 401.963 5.288 0 40 HKAB CCCCOc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 6635730 QKPWTHHQGFEQLS-UHFFFAOYSA-N 420.900 5.505 0 40 HKAB Cc1ccccc1Nc1nnc(S[C@H](C)C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)s1 6650572 JJZMJOSCJCSROZ-FAYQHZLMSA-N 404.605 5.012 0 40 HKAB Cc1n[nH]c2c1[C@H](c1ccc(OCc3ccccc3Cl)cc1)S[C@@H](C)C(=O)N2 6678740 IPRWWYKLQATODP-DJJJIMSYSA-N 413.930 5.114 0 40 HKAB CCN1C(=O)S[C@@H](Cc2ccc(OCc3cccc4ccccc34)c(OC)c2)C1=O 6952410 KXOVEMHYMOWTHM-QFIPXVFZSA-N 421.518 5.054 0 40 HKAB COc1ccc(Br)c(C(=O)Nc2ccc3nc(SC)sc3c2)c1 7007771 WQQUGANFLCCFHQ-UHFFFAOYSA-N 409.330 5.042 0 40 HKAB COc1ccc(C(=O)/C=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1 7375682 JZLZWNBXERDEJE-IZZDOVSWSA-N 400.305 6.306 0 40 HKAB O=c1/c(=C/c2ccccc2Sc2ccc(Cl)cc2)sc2nc3ccccc3n12 8425951 VBKQAOBVPJVOPH-MOSHPQCFSA-N 420.946 5.262 0 40 HKAB CC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc21 9164735 QNCLSHVGCUQWMM-UHFFFAOYSA-N 404.432 5.283 0 40 HKAB COc1ccccc1N(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccc(C)c1 9461117 WYTQXNREPRZJBM-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB COc1ccc(NC(=O)c2ccccc2-c2cc3ccccc3c(=O)o2)cc1Cl 9575744 HQXVNLBPCNIZPB-UHFFFAOYSA-N 405.837 5.374 0 40 HKAB Clc1ccc(-c2nc(CSc3nnc(NCc4ccco4)s3)cs2)cc1 9580388 ZAMUDDLSEWLKNE-UHFFFAOYSA-N 420.972 5.812 0 40 HKAB Cc1ccc2nc(COc3cccc(C(=O)Nc4cccc5ncccc45)c3)cn2c1 11653138 QFCZNXVBARKUCH-UHFFFAOYSA-N 408.461 5.022 0 40 HKAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC(C)C)cc4)=NN23)cc1 12273725 QNHVIRAUOIERIW-RSXGOPAZSA-N 414.505 5.725 0 40 HKAB CC(C)c1ccc(NC(=O)CCCn2nc(-c3ccc(Cl)cc3)ccc2=O)cc1 12440867 VRSDPCXSLLWCLD-UHFFFAOYSA-N 409.917 5.106 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 12587432 HGRDMXNKRGVJKG-STSQHVNTSA-N 422.521 5.471 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=S)Nc4cccc(Cl)c4C)cc3)sc2c1 12624636 OIADJVAGBAGBAW-UHFFFAOYSA-N 423.994 7.042 0 40 HKAB Cc1cc(Br)ccc1OCc1nc(-c2ccc(Br)cc2)no1 12629413 LPOPBRUSFIITAH-UHFFFAOYSA-N 424.092 5.149 0 40 HKAB C[C@@H]1CCc2c(sc3nc(-c4cccnc4)nc(Sc4nnc(C5CC5)o4)c23)C1 12792544 IALJJZOFTIGSSM-LLVKDONJSA-N 421.551 5.290 0 40 HKAB CC[C@@H](C)[C@H](C(=O)OCC(=O)c1ccc(NC(=O)C(C)(C)C)cc1)c1ccccc1 12815973 LWNBBPLAEOEZHK-VGSWGCGISA-N 409.526 5.227 0 40 HKAB Cc1oc(-c2ccccc2)nc1CSCC(=O)Nc1ccccc1C(F)(F)F 12919486 SYGLDXPBBXQCPK-UHFFFAOYSA-N 406.429 5.541 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12980936 GXBKBDOSUXYCHT-QGZVFWFLSA-N 403.526 5.279 0 40 HKAB CC(C)CCOc1ccc(/C=C/c2nc3scc(-c4cccs4)c3c(=O)[nH]2)cc1 13135160 VFBYWZMGVJWYSY-JXMROGBWSA-N 422.575 6.308 0 40 HKAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCC3CCCCC3)CC2=O)cc1 13758058 PTJJUAXAFWEBMS-FQEVSTJZSA-N 417.553 5.536 0 40 HKAB C[C@H]1CN(C(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)C[C@@H](C)O1 14357694 ZGMNPTIGJMCISU-BGYRXZFFSA-N 422.528 5.818 0 40 HKAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2NCCC2=CCCCC2)c1 16955796 PBEPZQDRILMBBS-UHFFFAOYSA-N 422.554 5.041 0 40 HKAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1cccc(NC(=O)c2cccs2)c1 17917165 XQRRWZNTHXKCQC-UHFFFAOYSA-N 419.333 5.579 0 40 HKAB O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 17988222 MLORWQSOIOMVMV-ZEQRLZLVSA-N 423.468 5.028 0 40 HKAB CCCCOc1ccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)C2CC2)cc1 22504280 BIEOORMCRKGGGG-UHFFFAOYSA-N 407.514 5.199 0 40 HKAB Cc1cccc(C2(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)CCC2)c1 25504988 XKNJZFWGOVCQBK-UHFFFAOYSA-N 400.526 5.040 0 40 HKAB COc1ccc(NC(=O)c2nnc(/C(Cl)=C/c3ccc(Cl)s3)s2)cc1 28186104 HIJPETGVFOYDBL-WQLSENKSSA-N 412.323 5.251 0 40 HKAB CCN(CC)[C@@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(C(C)C)cc1 32624191 IUVHGMTXLTVVJH-FQEVSTJZSA-N 411.571 5.339 0 40 HKAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)C1(c2cccc(F)c2)CCC1 32909940 IYQUUKOVKRHRTL-UHFFFAOYSA-N 418.516 5.179 0 40 HKAB C=Cc1ccc(Cn2c3ccccc3n3c(=O)cc(-c4cccc(Cl)c4)nc23)cc1 40484689 GYVIYZXOMDKLHP-UHFFFAOYSA-N 411.892 5.661 0 40 HKAB CC[C@@H]1c2ccsc2CCN1C(=O)c1sc(NC(=O)c2ccco2)cc1C 58481341 AUTAINJLICUPNP-CQSZACIVSA-N 400.525 5.113 0 40 HKAB O=C(/C=C/C1=Cc2cc(Cl)ccc2OC1)NCc1nc(-c2ccccc2)cs1 58509008 JILKMWKLWRHTPK-RMKNXTFCSA-N 408.910 5.112 0 40 HKAB CCc1ccc(Cc2cnc(NC(=O)/C=C/c3cc4cc(OC)ccc4o3)s2)cc1 67339574 IDOMNMBCWQZTLC-PKNBQFBNSA-N 418.518 5.703 0 40 HKAB COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c(Cl)c2c1 72329798 AHMFEOKEFNWJSH-UHFFFAOYSA-N 402.686 5.036 0 40 HKAB C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 78817085 KWVISVAMQJWJSZ-FIBXIUFESA-N 413.646 5.287 0 40 HKAB in-man C[C@@H]1Cc2ccc(F)cc2CN1C(=O)Nc1cccc(NC(=O)c2cccs2)c1 78868905 KRSMKSCOABORPV-CQSZACIVSA-N 409.486 5.118 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(Nc3nc(C)cc(C)n3)cc2)cc1 170583836 UCTYIPGQBBKKIV-UHFFFAOYSA-N 418.497 5.046 0 40 HKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 223779535 IKBRSRRYNJNNGX-PKTZIBPZSA-N 418.566 5.184 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1ccc(C)cc1 224122741 FVXOKMBUHLEAJQ-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1C1CC1 224458032 VTWGIHJFDJGYOM-VXKWHMMOSA-N 422.985 5.665 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1COCC(C)C 224738724 YAZFERYGPMJDCX-UHFFFAOYSA-N 419.521 6.303 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1CN1CCCC1 224788541 URGRMITYIDFORK-OAQYLSRUSA-N 402.991 5.123 0 40 HKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 225175844 OKZSUMYTJZIKSU-SFHVURJKSA-N 413.568 5.189 0 40 HKAB CCc1nc2ccc(NC(=S)N[C@@H](CC(=O)O)c3ccc(Cl)cc3)cc2s1 225229795 FFKHXQVRTLIGMG-HNNXBMFYSA-N 419.959 5.015 0 40 HKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225745252 MLMODSNKIRNXCC-DNRQZRRGSA-N 418.622 5.357 0 40 HKAB COC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)c1C 225768388 GWUVYTPTNZFQQG-HSZRJFAPSA-N 418.562 5.474 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1snnc1-c1ccc(F)cc1 225780014 SJXFJZLCPXJFAF-UHFFFAOYSA-N 401.772 5.269 0 40 HKAB COc1ccc(-c2ccc(/C=C/C(=O)Nc3c(C)cc(N)cc3Cl)o2)cc1Cl 227145954 ISDPQUYNTWLNSK-VMPITWQZSA-N 417.292 5.805 0 40 HKAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@]12C 253497637 JNLBJTOWMWKEJV-GOILELMISA-N 418.618 5.873 0 40 HKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260816869 RKNOXLGCMMAZAD-BWKNWUBXSA-N 418.622 5.500 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc(Br)cc2C(C)C)cc1OC 408616959 AUQGLEGNABUPCM-UHFFFAOYSA-N 406.320 5.622 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2ccccc2C)c1 408697727 LNXFAZLIYAWZLD-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB CCCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OCC 409202900 UCWAYDQGFOVDGF-PGMHBOJBSA-N 411.523 5.153 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 1751098 PZALZSUSNDRVHA-WEVVVXLNSA-N 419.333 5.701 0 40 HKAB COc1ccc(C(=O)c2oc3ccc4c(C)cc(=O)oc4c3c2-c2ccccc2)cc1 1834262 MNMMBARPDWFDFC-UHFFFAOYSA-N 410.425 5.754 0 40 HKAB O=S(=O)(NC1c2ccccc2Oc2ccccc21)c1ccc(Cl)c(Cl)c1 1865465 DMLLNJOGPHIWSG-UHFFFAOYSA-N 406.290 5.167 0 40 HKAB CC(C)c1ccc(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 1889630 JKLKGNXIRWSXPH-UHFFFAOYSA-N 413.542 7.107 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c2ccccc12 2050684 KOHDUUHDWAMTHB-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccc(OCc2ccccc2)c1 2052327 BYKHOSHZORDNNR-UHFFFAOYSA-N 420.940 6.162 0 40 HKAB O=C(/C=C/c1ccccc1)Oc1ccc2ccc(OC(=O)/C=C/c3ccccc3)cc2c1 2069625 OZAJHCCSSUAVGM-JYFOCSDGSA-N 420.464 6.077 0 40 HKAB COC(=O)c1c(Nc2nc3ccccc3nc2N2C[C@H](C)C[C@@H](C)C2)sc(C)c1C 2280452 ZYBFZSAHTNBEPH-ZIAGYGMSSA-N 424.570 5.321 0 40 HKAB COc1cccc(C2=C[C@@H](c3cccc(OC)c3OC)n3c(nc4ccccc43)N2)c1 2915921 PXOKJMGYJWLDRL-QFIPXVFZSA-N 413.477 5.118 0 40 HKAB Clc1ccc(-c2nc3ccc(Cl)cc3n2OCc2ccccc2Cl)cc1 3063581 SUNHPZIIXVCOMB-UHFFFAOYSA-N 403.696 6.292 0 40 HKAB Clc1cccc(Cl)c1CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 3135128 VAJMPATZQNKFAC-UHFFFAOYSA-N 411.357 7.343 0 40 HKAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1cc(Cl)cc(Cl)c1 3239059 YBCBAFMKXOUKPC-UHFFFAOYSA-N 410.272 5.126 0 40 HKAB C[C@H](OC(=O)Cc1coc2ccc3ccccc3c12)C(=O)N1CCCc2ccccc21 3305637 ISLHDMJVVFMWKL-KRWDZBQOSA-N 413.473 5.040 0 40 HKAB Cc1ccc(C(C)C)c(OCc2nn3cc(-c4ccc(F)cc4)c4c3n2CCCC4)c1 3394862 WBZNMGAQWKZHHF-UHFFFAOYSA-N 417.528 6.289 0 40 HKAB O=C(NCCOc1cccc2ccccc12)c1ccc(CSC2CCCCC2)cc1 3617120 NLOYIJBGZDIXKW-UHFFFAOYSA-N 419.590 6.215 0 40 HKAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc2ccccc2c1 4070142 ATNYPMRLHFRUJL-UHFFFAOYSA-N 409.308 5.978 0 40 HKAB O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)cc1)NCc1cccc(Cl)c1 4085283 BUXIXAUMOIAHNP-FMIVXFBMSA-N 412.316 5.902 0 40 HKAB CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccoc1C 4860609 KTCQLYUSVXCLFT-UHFFFAOYSA-N 418.522 5.323 0 40 HKAB CCOc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OC4CCC(C)CC4)c3C)C2)cc1 4912280 YREPTPMTHWRYDB-VDUSKEEQSA-N 409.526 5.370 0 40 HKAB COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(F)cc2Cl)c2ccccc2)c1 4913485 HPFUOLCQWMXFHD-FQEVSTJZSA-N 413.832 5.025 0 40 HKAB CC[C@@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 5273813 MKGZDUKUQPPHFM-HGIKXSOESA-N 410.686 8.009 0 40 HKAB biogenic CCOc1cc2c(cc1/C=C/c1ccc3c(Cl)cc(Cl)c(O)c3n1)O[C@H](C)C2 5940272 QADZPZZYTDCYOH-ZYOFXKKJSA-N 416.304 6.140 0 40 HKAB Fc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccccc2)cc1 6045565 AZVRKQGRPJYMJD-UHFFFAOYSA-N 405.498 5.168 0 40 HKAB COc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccccc4)n3)n2)cc1 6084511 KUSBBTUXIFHPAK-UHFFFAOYSA-N 407.520 5.123 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl 6206022 AHDHVTCTFDMXEC-UHFFFAOYSA-N 407.124 6.243 0 40 HKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cc1 6359134 PLMZUEFWXMTWQC-UHFFFAOYSA-N 418.496 6.977 0 40 HKAB Cc1ccc(C)c(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 6372866 DCPAUQVDLAZSMD-UHFFFAOYSA-N 412.411 5.827 0 40 HKAB CCc1ccc(N(CC(=O)c2ccc(-c3ccccc3)cc2)C2=NCCCCC2)cc1 6870959 UEFUKDOPSYHWKR-UHFFFAOYSA-N 410.561 6.578 0 40 HKAB Cc1ccc(NC(=O)COc2cccc(CNc3cccc(C)c3C)c2)cc1Cl 6968335 AUPHPSPTXAOBNN-UHFFFAOYSA-N 408.929 5.895 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCC[C@@H]4CCCC[C@@H]43)o2)cc1 7383830 TZXIPMBUOQPQQY-LPHOPBHVSA-N 413.587 5.307 0 40 HKAB COc1ccc(CNC(=S)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc1 7662649 IRXRPDGZPKZRBF-HXUWFJFHSA-N 421.591 5.034 0 40 HKAB COc1ccc(-c2csc3ncnc(Oc4ccc5c(C)cc(=O)oc5c4)c23)cc1 8432886 IXIXOJZELNGWEJ-UHFFFAOYSA-N 416.458 5.574 0 40 HKAB O=C1/C(=C/c2ccc(Cl)cc2Cl)N=C(S)N1c1cccc(C(F)(F)F)c1 9065176 JABOPZNULGBQDH-NSIKDUERSA-N 417.239 5.686 0 40 HKAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c(Cl)c1Cl 10111949 GVGIVEFMWFBNEG-LBPRGKRZSA-N 416.370 5.339 0 40 HKAB Cc1cc(NC(=O)CCc2ncc(-c3ccccc3F)o2)ccc1Br 10917243 QMDUWXLQJPXQFT-UHFFFAOYSA-N 403.251 5.123 0 40 HKAB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)c1ccc2c(c1)OCO2 12249827 VLRSWZLVJDCLKA-UHFFFAOYSA-N 400.459 5.001 0 40 HKAB CC1(C)Cc2cccc(OCc3ccc(C(=O)N4CCCc5ccccc54)cc3)c2O1 15881128 HKPLDAVOLQQTEU-UHFFFAOYSA-N 413.517 5.572 0 40 HKAB COc1cccc(-c2nc(C)c(-c3ccc(SCc4ccc(C)cc4)nn3)s2)c1 17041786 FXIHUKZPHUGCQU-UHFFFAOYSA-N 419.575 6.185 0 40 HKAB CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccnc4Cl)c3)nc2c1 17089090 NBJCDRPVMOOPKM-UHFFFAOYSA-N 412.276 6.011 0 40 HKAB C/C(=C\c1ccccc1)CN1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 19014374 LBQAWOAUZJZLPY-JKXNYQSWSA-N 405.586 5.101 0 40 HKAB CCC(CC)C(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19500169 PBVWZRHJLRGQEW-QFIPXVFZSA-N 415.541 5.382 0 40 HKAB Cc1noc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2cccc(Cl)c2Cl)c1C 19557982 CNBNCZIRQWHLTC-KRWDZBQOSA-N 405.329 5.716 0 40 HKAB O=C(NCc1ccc(-n2ccnc2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 20045408 JSHHUUBSOZSCBJ-XQNSMLJCSA-N 413.908 5.383 0 40 HKAB O[C@@](CNCc1cccc(C(F)(F)F)c1)(c1ccccc1)c1ccc(Cl)cc1 20219117 NGZHSBLEKIJMFY-NRFANRHFSA-N 405.847 5.385 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1Sc1ccccc1 20483582 YBMMDRUQGQJONR-HSZRJFAPSA-N 413.542 6.787 0 40 HKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 20499889 QEHDSBTURZJPIB-VWLOTQADSA-N 400.522 6.173 0 40 HKAB C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@@H]1Nc1cccc(C(F)(F)F)c1 23467643 SOOXDUICTSBYRM-UZUQRXQVSA-N 424.466 6.293 0 40 HKAB O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)c1ccc2ccccc2c1 24032145 ZTBSVPRAVOVEFN-VWLOTQADSA-N 412.558 5.431 0 40 HKAB Cc1ccc(N[C@H](NC(=O)OCc2ccccc2Cl)C(Cl)(Cl)Cl)cc1 27987839 NMOXDOFFZQRTHG-OAHLLOKOSA-N 422.139 5.683 0 40 HKAB Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc(C)cc3F)n2)cc1 32578865 AOFANWCZUYIHDN-UHFFFAOYSA-N 417.440 5.324 0 40 HKAB O=C(COc1cccc(-c2noc(-c3ccccc3F)n2)c1)Nc1cccc(Cl)c1 33327354 AFSWMKGMHPNEPK-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@H](c4cccc(F)c4)Oc4ccc(Cl)cc4[C@H]3C2)c1 36350572 XVWMWDAFAVMVOE-VWNXMTODSA-N 406.888 6.338 0 40 HKAB O=C(Nc1cccc(COC[C@@H]2CCCCO2)c1)N1CCC[C@H]1c1ccsc1 47627396 NRCAOKMTUMDDNM-SFTDATJTSA-N 400.544 5.203 0 40 HKAB CCCCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CC(C)C)cc1 51357442 SZCZNBJOSIRMIK-UHFFFAOYSA-N 423.582 5.126 0 40 HKAB COc1ccc(-c2noc(CN(C)[C@H](c3ccccc3)c3ccc(F)cc3)n2)cc1 57863740 FCHNODSLOMPRAJ-HSZRJFAPSA-N 403.457 5.106 0 40 HKAB CCc1cc2c(CSc3nnc(C[C@H](C)c4ccccc4)o3)cc(=O)oc2cc1O 60385777 AEXNVHUCXQVFQW-AWEZNQCLSA-N 422.506 5.083 0 40 HKAB COc1cc2oc(=O)cc(C)c2cc1CCC(=O)Nc1cccc2c1ccn2C(C)C 70666429 GHOMYNONIIKKRV-UHFFFAOYSA-N 418.493 5.217 0 40 HKAB biogenic C[C@@H]([C@H](C)c1ccc(Cl)cc1)N(C)C(=O)c1nc(N2CCCCC2)ncc1Cl 72310292 RHZGKZDHJGECGX-GJZGRUSLSA-N 421.372 5.038 0 40 HKAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1Cc1ccc2ncccc2c1 72370357 JMLLOLZGLPCSIP-IBGZPJMESA-N 415.562 5.016 0 40 HKAB CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCN2C(=O)CC2CCCCC2)n1 72390714 WURVGRDRLYPQFB-HXUWFJFHSA-N 410.562 5.335 0 40 HKAB CC1(C)[C@H]2CC[C@@]1(C)c1c2c(C(=O)Nc2ccc3ccccc3c2)nn1-c1ccccc1 100715870 GKLCNHNCVRIBJJ-DWACAAAGSA-N 421.544 6.453 0 40 HKAB COc1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3onc(C)c32)cc1OC 102724323 CYDWBGIXIUETLR-UZUQRXQVSA-N 416.477 5.608 0 40 HKAB CC1(C)[C@@H]2CC=C(CCOC(=O)COc3cc(Cl)c(Cl)cc3Cl)[C@@H]1C2 104176504 QJLPKHKSZWZRMV-OLZOCXBDSA-N 403.733 5.951 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 107042584 VVOMWZJAVVTXCR-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 214385732 YJBVCIOYRATJAM-LZYBPNLTSA-N 422.289 5.017 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1ccc(OC(C)C)cc1 222933126 BQVTYBGTLJYPLT-XMMPIXPASA-N 411.586 5.678 0 40 HKAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1cccc(OC)c1 224588467 YHGUVSKXIIVKNT-UHFFFAOYSA-N 413.420 5.203 0 40 HKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225097413 ZYTMIKLBIQPNPV-XMMPIXPASA-N 408.586 5.076 0 40 HKAB CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1 408628561 UUVSXZXYLUCETD-UHFFFAOYSA-N 403.507 5.507 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C)c3C)n2)cc1Cl 408697007 DOBGPFOZAAJGMT-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COc1ccc2ccccc2c1/C=C1\S[C](Nc2cc(Cl)ccc2C)NC1=O 408814267 OTIHRINKDQZYRY-UHFFFAOYSA-N 409.918 5.573 0 40 HKAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccccc1F 408820475 WKHIKSQXCRLIRJ-YVLHZVERSA-N 421.877 5.123 0 40 HKAB COCCn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1 409105115 GKAWTMMRLIVFAT-UHFFFAOYSA-N 408.354 5.114 0 40 HKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 409116217 UKVNLGJZLWZNGX-NTCAYCPXSA-N 402.494 5.159 0 40 HKAB CCOc1cc(C(=O)Nc2ccccc2C(F)(F)F)cc(Br)c1OC 409372793 QRSPARHRZIXBHC-UHFFFAOYSA-N 418.209 5.128 0 40 HKAB C[S@](=O)Cc1ccccc1NCc1cccc(Oc2cccc(C(F)(F)F)c2)c1 547269798 BBDRQWZXVLCCHO-LJAQVGFWSA-N 419.468 5.988 0 40 HKAB CC(C)Cc1ccc(C[C@@]2(C)CCc3ccc(-c4ccccc4C(=O)O)cc3O2)cc1 585265346 ANGHNCUNKVXIBN-MUUNZHRXSA-N 414.545 6.577 0 40 HKAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)c1cc(O)nc2ccc(F)cc12 606165997 SRWRXCVHBRKFBB-DEOSSOPVSA-N 412.420 5.345 0 40 HKAB Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)c1onc2c1CCCC2 1615613108 PPVYZCNRGPZNCA-NSHDSACASA-N 401.919 5.130 0 40 HKAB CC[C@H]1CCc2nc3sc(C(=O)Nc4cc(Cl)ccc4Cl)c(N)c3cc2C1 661716 UKISVRZJCUTSGW-JTQLQIEISA-N 420.365 5.953 0 40 HKAB CC1=C(CC[C@]2(C)OC(=O)N(C3CC(C)(C)NC(C)(C)C3)[C@@]2(C)O)C(C)(C)CCC1 710746 YTLQRXDKKVFHPU-DQEYMECFSA-N 420.638 5.522 0 40 HKAB CCOC(=O)C1CCN(S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1 851827 YXLWBJVPUCULQY-UHFFFAOYSA-N 423.619 5.021 0 40 HKAB CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 937445 JLAIXLKYUSCBMC-VZUCSPMQSA-N 414.914 5.523 0 40 HKAB CCn1c(CSCc2ccc(Cl)cc2)nnc1SCc1cccc(F)c1 1396999 FRZAVLBJVXYKNZ-UHFFFAOYSA-N 407.967 5.816 0 40 HKAB Cn1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c2ccccc21 1416753 YCOKRHIYPQDDJR-GIJQJNRQSA-N 400.862 5.207 0 40 HKAB CCOC(=O)C(Cc1ccc(Cl)cc1)(Cc1ccc(Cl)cc1)c1ccccc1 1632679 TWDWIYUBFZPGSB-UHFFFAOYSA-N 413.344 6.280 0 40 HKAB CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)cc1 2177302 ARUBXTZAIBFTSZ-WXPCENJTSA-N 401.937 6.458 0 40 HKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(F)c2)cc1Cl 2252892 HRMDKILFYCQDQQ-UHFFFAOYSA-N 423.827 5.717 0 40 HKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4C)cc3n2)cc1 2594777 BZLWIZSJPWDYRU-UHFFFAOYSA-N 412.537 5.941 0 40 HKAB CC(C)Oc1ccc(C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)cc1 2617440 BWUMMOQAPVWKAU-UHFFFAOYSA-N 421.518 5.421 0 40 HKAB Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cnc3ccccc32)cc1C 3264418 CXQFJIMTRJUDJH-UHFFFAOYSA-N 409.411 5.913 0 40 HKAB CCOc1cc(/C=C/C(=O)Nc2ccc(OC(F)(F)F)cc2)ccc1OCC(C)C 3293944 BIGRNRCEFFCUTG-WUXMJOGZSA-N 423.431 5.671 0 40 HKAB O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1ccccc1-c1ccccc1 3330334 UMIZGYKUUFZMGA-UHFFFAOYSA-N 414.288 5.385 0 40 HKAB Cc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1-c1ccc(Cl)cc1 3766641 ANHHYTPFZPIDCY-UHFFFAOYSA-N 422.237 6.697 0 40 HKAB Cc1ccc(NC(=O)CSc2cn(Cc3cc(C)ccc3C)c3ccccc23)cc1 4059750 CVVARMCRJADYHS-UHFFFAOYSA-N 414.574 6.346 0 40 HKAB COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)CCC1CCCC1 4162463 RGJLXNZQMNCBPK-UHFFFAOYSA-N 406.482 5.603 0 40 HKAB Cc1cc2nc(-c3cc(NC(=O)c4ccc(Cl)cc4)ccc3Cl)oc2cc1C 4602982 NICYFOOVFGZLBA-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccc(C)c(C)c3)c2c1 4610402 JAZWYEUURSGGMR-UHFFFAOYSA-N 414.936 6.987 0 40 HKAB CC(C)Oc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1 4866658 ICSSSQTYBDLMES-UHFFFAOYSA-N 406.869 6.188 0 40 HKAB Cc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 5163388 LVLIJHPPBVVOJP-RDPSFJRHSA-N 418.880 5.619 0 40 HKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3C[C@@H]3CC3(Cl)Cl)CC2=O)c1 5235784 SDVBGEUARHAVSP-CVEARBPZSA-N 414.336 5.059 0 40 HKAB Cc1cc(C)cc(Nc2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)c1 5246332 WRTBRKHKPLBEHH-UHFFFAOYSA-N 418.972 7.016 0 40 HKAB Cn1c(NC(=O)c2ccc(F)cc2)c(-c2cccc(Cl)c2)c(=O)c2ccccc21 5348687 GEPJWJIHJCSAEH-UHFFFAOYSA-N 406.844 5.250 0 40 HKAB Cc1ccc(C2=NN(C(=S)NCc3ccccc3)[C@H](c3ccccc3F)C2)cc1 5603751 FCTFNTIHOKQOKB-QHCPKHFHSA-N 403.526 5.360 0 40 HKAB COc1ccc(-c2nc(NC(=O)COc3ccc(Cl)c(C)c3)sc2C)cc1 6217526 QDEMXXWAWWZCHZ-UHFFFAOYSA-N 402.903 5.106 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6420641 UONPIBNFNBROTL-NRFANRHFSA-N 419.912 5.004 0 40 HKAB COc1ccccc1-c1nnc(SCC(=O)c2ccc(-c3ccccc3)cc2)n1C 6509415 ZZXHKQITRQIUKZ-UHFFFAOYSA-N 415.518 5.133 0 40 HKAB COc1ccc(NC(=O)Nc2ccccc2F)cc1NC(=O)Nc1ccccc1F 6761824 GWESEDMIPZQIJJ-UHFFFAOYSA-N 412.396 5.261 0 40 HKAB C[C@@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 6824150 KABPCEUOTTULPO-AXVRDKJPSA-N 405.607 6.241 0 40 HKAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1cccc(N2CCCC2=O)c1 6988246 JYGNJDRQXUKEDS-UHFFFAOYSA-N 416.546 5.275 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)cc1 7080151 MGDHIOQRNJGSKN-SFHVURJKSA-N 414.505 6.334 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)NC(c2ccccc2)c2ccccc2)c1 7307863 HLGVLGJSNPEWSD-UHFFFAOYSA-N 412.489 5.390 0 40 HKAB CCc1cccc(CC)c1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7882020 HZIJXEPJMUPPFB-HNNXBMFYSA-N 405.325 5.110 0 40 HKAB COc1ccc2c(-c3cccnc3)cc(SCc3ccc(F)cc3Cl)nc2c1 8185980 URBCAFNRYNKZKJ-UHFFFAOYSA-N 410.901 6.390 0 40 HKAB Cc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2cccc(Cl)c2)c(C)c1 8476436 YNQXQRAUHRYMEH-UHFFFAOYSA-N 416.912 5.135 0 40 HKAB CC(C)Oc1cc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)c(Cl)cc1Cl 8888112 SNOVQKLKKXPPDT-UHFFFAOYSA-N 418.111 5.730 0 40 HKAB Cn1c(SCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)nnc1-c1ccco1 9119603 RABHGLVPYJMQHL-NRFANRHFSA-N 423.469 5.114 0 40 HKAB C[C@H](OC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccccc1F 9415253 HULZKWAEXUCRDY-LBPRGKRZSA-N 421.346 5.289 0 40 HKAB FC(F)(F)c1cccc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)c1 9463156 MJTGYTBMGJYAKK-UHFFFAOYSA-N 424.813 6.308 0 40 HKAB CCc1ccc(NC(=O)[C@H](C)Sc2nn(-c3ccccc3)c(=S)s2)cc1 9499119 WXOPXRJYQIYSOC-ZDUSSCGKSA-N 401.582 5.345 0 40 HKAB Cc1ccc(C(=O)[C@@H](Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 9591942 AVJULBJUOJDXLJ-JOCHJYFZSA-N 412.938 5.225 0 40 HKAB Cc1c(C(=O)c2ccc(Cl)cc2)oc2cc(NC(=O)Nc3ccccc3)ccc12 9659924 RYVUQPHYLCEXOZ-UHFFFAOYSA-N 404.853 6.270 0 40 HKAB biogenic COc1ccc(-c2c(C)c3ccc(Nc4cc(C)cc(C)c4)cc3oc2=O)cc1OC 11865086 FMOMTNFMCCJMMT-UHFFFAOYSA-N 415.489 6.146 0 40 HKAB biogenic CC(=O)c1cccc(NC(=O)Cc2csc(-c3ccc(OC(F)(F)F)cc3)n2)c1 11865883 VEZHIWQINAVQDY-UHFFFAOYSA-N 420.412 5.093 0 40 HKAB Cc1ccc(OCCCC(=O)Nc2ccc(Oc3ccc4c(c3)OCO4)cc2)cc1 12461738 OOQDTJPQHAEQBP-UHFFFAOYSA-N 405.450 5.314 0 40 HKAB Cc1nc(CSCCC(=O)NCC(C)(c2ccccc2)c2ccccc2)cs1 12806135 WPJNOZLIFQNBFZ-UHFFFAOYSA-N 410.608 5.197 0 40 HKAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc(F)cc1Cl 12897651 RLNXFFGBCPNWBX-LJQANCHMSA-N 406.935 5.188 0 40 HKAB C[C@H](NC(=O)c1ccccc1SCc1cscn1)c1ccc(Cl)cc1Cl 12900440 IQGNFULDLLWMAB-LBPRGKRZSA-N 423.390 6.233 0 40 HKAB c1ccc(-c2[nH]c(-c3nccc4ccccc34)c(-c3ccccc3)c2-c2ccccc2)cc1 13205382 VGJFVAPAEXMESO-UHFFFAOYSA-N 422.531 8.231 0 40 HKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 13710568 PPJBUJUPHCUHSU-MQAYZUIZSA-N 403.566 6.177 0 40 HKAB O=C1c2ccccc2[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1c1ccccc1 13942344 GMZDSFJNDRKCFV-HHHXNRCGSA-N 400.481 6.585 0 40 HKAB CC1=Nc2ccccc2N=C(NC(=O)CSc2ccccn2)[C@@H]1c1ccc(F)cc1 14607991 NEXUADRUVUUSAW-QFIPXVFZSA-N 418.497 5.049 0 40 HKAB CSc1ccc([C@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccc(C)cc2)cc1 15413417 HYILEDZVEXRNKL-DEOSSOPVSA-N 416.546 5.146 0 40 HKAB Cc1c(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)oc2cc(Br)ccc12 15833254 PKRKEGGHYGVMQK-VIFPVBQESA-N 405.317 5.337 0 40 HKAB O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)C1(c2ccc(Cl)cc2)CCCC1 15867241 RCFDATKDEVPHNX-UHFFFAOYSA-N 417.896 5.994 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1OC 16227127 PFEOBIMACIKIRB-UKTHLTGXSA-N 400.434 5.164 0 40 HKAB Fc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@@H](c3ccc(Cl)cc3)C2)cc1 16399281 KREJOYKMGIWNBA-OAQYLSRUSA-N 418.821 6.854 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1OC 17090693 SOMJYBDMCUPQFI-UHFFFAOYSA-N 416.502 5.747 0 40 HKAB CCCCN1C[C@H](c2nc3ccccc3n2Cc2c(C)c(C)cc(C)c2C)CC1=O 20897580 GYEOAPDJXOSWFJ-OAQYLSRUSA-N 403.570 5.434 0 40 HKAB CCCc1n[nH]c(=S)n1NCc1cccc(OCc2ccc(Cl)cc2Cl)c1 22109809 JQWAOAZUDRIKLI-UHFFFAOYSA-N 423.369 5.523 0 40 HKAB C[C@H]1CCCC[C@@H]1Nc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 25397580 WXIRFYHJNRISRN-PXNSSMCTSA-N 422.598 5.181 0 40 HKAB CC1(C)C[C@H](NCC[C@](C)(c2cccc(C(F)(F)F)c2)c2cccs2)CCO1 32088227 XSYUWWKDVJBTIA-WIYYLYMNSA-N 411.533 6.010 0 40 HKAB Cc1cc(C)c2[nH]c(CSCC(=O)Nc3cccc(C(F)(F)F)c3)cc(=O)c2c1 33063691 FZELITHXYRRDOE-UHFFFAOYSA-N 420.456 5.036 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@H](Nc1ccccn1)C(Cl)(Cl)Cl 35185515 PQOGPQCDZDICOM-KQTLUZQSSA-N 422.784 5.377 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 36435260 NWQBDOPDVUJEGJ-KGCFQABDSA-N 404.679 6.439 0 40 HKAB O=C(Nc1ccccn1)c1cc(-c2ccccc2)nc2onc(-c3ccccc3F)c12 36618467 LYKICUIPLTZGAO-UHFFFAOYSA-N 410.408 5.343 0 40 HKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1nnc(C2CC2)s1 40040343 ZHKRPSMOIZNWSC-UHFFFAOYSA-N 410.446 5.119 0 40 HKAB Cc1nn2c(ncc3c(=O)n([C@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40397629 FMEXSMHYIDVGJE-AVYPCKFXSA-N 420.944 5.670 0 40 HKAB CSc1ccc(CN2C(=O)C(O)=C(c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 40485698 LDLDYNHCXKOTKE-DEOSSOPVSA-N 415.558 6.078 0 40 HKAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@H]1Cc1c(F)cccc1Cl 48311154 XRLKANYASKFKJI-AWEZNQCLSA-N 415.921 5.153 0 40 HKAB Cc1ccc(COc2ccc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)cc2)cc1 50547905 AXDMHNAMMGZSMJ-HMAPJEAMSA-N 416.502 5.668 0 40 HKAB COc1ccc([C@H](NCC(=O)Nc2ccccc2-c2ccccc2)c2ccccc2)cc1 58157835 FZOBCYMTOFKSSW-MUUNZHRXSA-N 422.528 5.680 0 40 HKAB CCCCCCc1cc2cc(-c3nnc(-c4cccc(C)c4)o3)c(=O)oc2cc1O 69871444 CSOZORHZNZDYJO-UHFFFAOYSA-N 404.466 5.647 0 40 HKAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1Cc1ccccc1 72214945 YLPGNVDRCHFSEY-JOCHJYFZSA-N 409.574 5.959 0 40 HKAB FC(F)(F)[C@H]1CCCN(Cc2cccc(CN3CCC[C@H](C(F)(F)F)C3)c2)C1 84367269 UHKBAYYJWFEDTL-ROUUACIJSA-N 408.430 5.235 0 40 HKAB Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)Nc3ccccc3C)CC2)c1 96183770 JBFQTKFVWRFQOC-AREMUKBSSA-N 413.565 5.551 0 40 HKAB C[C@@H](C(=O)NCc1ccc(Br)cc1)c1cccc(C(=O)c2ccccc2)c1 98073356 DGRBXOZHDRNJQY-MRXNPFEDSA-N 422.322 5.100 0 40 HKAB OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc(Cl)cc2)C[C@@H](c2ccccc2)C1 100425670 VYHRPYQSAWOKNB-CJAUYULYSA-N 400.909 6.969 0 40 HKAB O=C(Nc1nc(C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cs1)c1cccc(Cl)c1 101024345 RVGNQCSYWFZNFY-CJKMCJCZSA-N 407.366 5.878 0 40 HKAB c1ccc(-c2ccc(-c3ccccc3)c(-c3ccc4c(c3)CCC4)c2-c2ccccc2)cc1 104189121 WSIRBTFGDXSFQR-UHFFFAOYSA-N 422.571 8.843 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1C1CCCCC1 223119982 LHIQZKVYHUVGAX-DHIUTWEWSA-N 408.615 5.694 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223344826 DYKGPIUYJUTCGE-YADARESESA-N 419.565 6.315 0 40 HKAB O=C(Nc1ccc(Cc2ccncc2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 223423879 HZMSOFOCXWTNAR-NCELDCMTSA-N 424.931 6.505 0 40 HKAB O=C(CSCc1ccc(Br)cc1)Nc1ccc2c3c(cccc13)CC2 223455056 KFYBDGXQCIOMNI-UHFFFAOYSA-N 412.352 5.573 0 40 HKAB COc1ccc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)cc1C(C)C 223740341 OJJPOBILEXNHLA-UHFFFAOYSA-N 411.523 5.089 0 40 HKAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1CSc1ccc(Cl)cc1 224348999 IXMFDOUGCKCUNV-UHFFFAOYSA-N 419.880 6.171 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccc(C)cc1 224473614 ZGIVGPAOPWZBEV-SFHVURJKSA-N 423.940 6.117 0 40 HKAB CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccccc1Cl 224475113 ZZWXFSNASYMHSP-UHFFFAOYSA-N 413.945 5.938 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccccc1OC 224575469 PCLTVKSESJTETM-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C)c(Cl)c3)o2)cc1 224908828 ZDYHCHRYVFLKIE-UHFFFAOYSA-N 418.880 6.231 0 40 HKAB CC[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(OC)c(C)c1 225190848 IICFNJQMHBNIBZ-GOSISDBHSA-N 412.382 5.811 0 40 HKAB Cc1ccc([C@@H](NC(=S)Nc2cccc(N3CCCC3=O)c2)c2ccccc2)cc1 225512197 YXVXYNLCEFYXSG-DEOSSOPVSA-N 415.562 5.198 0 40 HKAB Fc1ccc(COc2ccc(CNC(=S)Nc3cccc(Cl)c3)cc2)cc1 225533117 MVNKMRBZMWNBIT-UHFFFAOYSA-N 400.906 5.545 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCCN(CC)CC)cc2)CCC(C)CC1 225668972 ZVQKFNBBWXPXNF-UHFFFAOYSA-N 404.595 5.111 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c2ccccc2O1 225707480 KNLHEKDJKROJNR-WZONZLPQSA-N 403.522 5.806 0 40 HKAB COc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CCCC2)cc1 225755126 IZZSMXGHVDUIAU-UHFFFAOYSA-N 417.549 6.334 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)c2ccccc12 225920337 FJCWMAVHOKSYPM-UHFFFAOYSA-N 423.484 5.457 0 40 HKAB O=C(NCc1ccccc1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 226818471 HYZRTANCWKKQLC-USFIDADJSA-N 408.545 5.913 0 40 HKAB Cc1ccc(OCC(=O)N2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)cc1 257317669 VKRXEAHRNHXCCD-IBGZPJMESA-N 424.928 5.012 0 40 HKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(Cl)cc2)C1 257327111 WZZLSFLPDPSFLN-VTYHHJSWSA-N 406.353 6.117 0 40 HKAB CCc1s/c(=N\C(=O)c2cccs2)n(CC)c1-c1ccc(Br)cc1 408561498 IWBQBCIGLWXWIF-ZZEZOPTASA-N 421.385 5.364 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCCC1 408562930 GXNOWSQFJFXVSW-UHFFFAOYSA-N 402.947 5.087 0 40 HKAB O=C1c2ccccc2N[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccc(F)cc1 408734235 VPEYRYXHFJOBIM-AREMUKBSSA-N 424.475 6.176 0 40 HKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C1=O 409067129 JMAXRZLPKCPSRS-KQWNVCNZSA-N 417.530 6.255 0 40 HKAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCc1cccc2ccccc12 409195344 HVQTXEAIHOUOBA-UHFFFAOYSA-N 405.563 5.979 0 40 HKAB CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409261446 CZBDOVIEYXHUQN-UHFFFAOYSA-N 418.537 5.586 0 40 HKAB Cc1ccc(NC(=O)COc2cccc(CNc3ccccc3Cl)c2)cc1Cl 409268170 QZBGQCJVBHMXIS-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB O=C1Nc2nc(cs2)[C@H]2CCCCN2Cc2ccccc2OCc2cccc1c2 585280821 AQNMWDHBUGCMQC-HXUWFJFHSA-N 405.523 5.015 0 40 HKAB Cc1sc([C@@H](C)NC(=O)c2onc3c2CCCC3)nc1-c1ccc(Cl)cc1 1615612975 MYYXMCRQYSXWAI-LLVKDONJSA-N 401.919 5.130 0 40 HKAB CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1Nc1ccc(C(C)=O)cc1 645431 FJRBSTCSMOISGS-UHFFFAOYSA-N 403.265 5.665 0 40 HKAB O=C(Nc1ccccn1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 671950 HGFFPNIVOQQQGB-UHFFFAOYSA-N 404.267 5.312 0 40 HKAB Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(C)cc2)N3)cc1 674951 AVMNAHJCASIZOO-PKOBYXMFSA-N 414.431 5.413 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)c1 900607 PONJAWJYTVMQSR-UHFFFAOYSA-N 414.534 5.033 0 40 HKAB O=C(c1cccc(F)c1)C1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 1336319 RHKIFNJZRRNRFU-UHFFFAOYSA-N 402.469 5.679 0 40 HKAB Cc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1 1380214 LQRDIEVDVWUFMC-QHCPKHFHSA-N 402.494 5.035 0 40 HKAB COc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccc(C)cc1 2062419 STTCGDSUECXEID-MTJSOVHGSA-N 417.436 5.066 0 40 HKAB CCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 2063425 IZWCTRMZDRJRQM-UHFFFAOYSA-N 410.473 5.721 0 40 HKAB COc1ccc(-c2cc(C(=O)Oc3cc(C)ccc3C(C)C)c3ccccc3n2)cc1 2303025 BMKXJQNNQGAQMJ-UHFFFAOYSA-N 411.501 6.561 0 40 HKAB Cc1ccc(NC(=O)c2sccc2SCc2c(Cl)cccc2Cl)cc1C 3047291 ANPFSLAHNHOUOM-UHFFFAOYSA-N 422.402 7.216 0 40 HKAB CCCCNc1ccccc1C(=O)OCc1cc(=O)oc2cc(C)c(C(C)C)cc12 3279500 HKJQMRTYBRNPQS-UHFFFAOYSA-N 407.510 5.794 0 40 HKAB Cc1c(Cl)cccc1-n1c(SCCCc2ccccc2)nnc1-c1ccncc1 3293499 XLVCZMPMHRKQHY-UHFFFAOYSA-N 420.969 6.016 0 40 HKAB CC[C@H](C)n1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCCC3 3313515 DQPXHVWCTGVCOG-AWEZNQCLSA-N 412.580 5.283 0 40 HKAB Cc1ccccc1OCCC(=O)OCC(=O)Nc1ccccc1Sc1ccccc1 3399914 WCUUOIVGHGGJTF-UHFFFAOYSA-N 421.518 5.097 0 40 HKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c(C)c1 4033248 IXMAXZUGHGZTCS-FQEVSTJZSA-N 413.496 5.361 0 40 HKAB Cc1sc(NC(=O)c2ccc(Br)cc2)c(C(=O)c2ccccc2)c1C 4129663 FOCDFKCBVFCJBF-UHFFFAOYSA-N 414.324 5.611 0 40 HKAB COc1ccc([C@]23C[C@@H](C)Sc4ccccc4N2C(=O)[C@H]3Oc2ccccc2)cc1 4659007 ODFJXRMKCCRMBW-HGMMTPDKSA-N 417.530 5.269 0 40 HKAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(Cl)c2)n2c(nc3ccccc32)N1 4767905 LJSSNWWFNLGVMR-QFIPXVFZSA-N 421.928 5.855 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(Cl)c2Cl)N3)C1 4783889 CAFFSDQFPLKVRN-BMLIUANNSA-N 409.382 6.635 0 40 HKAB CCCCN(C(=O)c1ccc(OC)cc1)c1nnc(-c2ccc(Cl)cc2)s1 4880970 NQLYSNWTOGFTTI-UHFFFAOYSA-N 401.919 5.314 0 40 HKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3C[C@@H]3CC3(Cl)Cl)CC2=O)c1 5235785 SDVBGEUARHAVSP-HOTGVXAUSA-N 414.336 5.059 0 40 HKAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2)c2ccccc12)c1cccs1 5242744 BKGWVULLSREOEV-HNNXBMFYSA-N 405.548 5.328 0 40 HKAB Cc1ccc(C)c(NC(=O)NC[C@H]2C[C@H](NC(=O)Nc3cc(C)ccc3C)C2(C)C)c1 5542479 HVEOMALVDLXSSR-KNQAVFIVSA-N 422.573 5.278 0 40 HKAB O=C(Nc1ccc2c(c1)OCCO2)c1oc2ccccc2c1COc1ccccc1 5556867 YZOJXIQWRSROSG-UHFFFAOYSA-N 401.418 5.035 0 40 HKAB Cc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)c1C 5689530 SUGHQAZONSWZFY-DEOSSOPVSA-N 411.549 5.413 0 40 HKAB O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccccc1Br 5965937 DRIMGGJAIZEJOD-UHFFFAOYSA-N 405.342 5.303 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3ccccc3)C3CCCCC3)cc2c1 6233133 XLMRXZWSVFQJFZ-UHFFFAOYSA-N 421.972 6.872 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)N(c1ccccc1)c1cccc2ccccc12 6344389 LIUMOJLANCUTMQ-UHFFFAOYSA-N 407.300 7.517 0 40 HKAB CC(=O)N(c1ccccc1)c1nc(CSc2ccc3c(c2)OCCCO3)cs1 6436696 CATNVJAMRJHJLH-UHFFFAOYSA-N 412.536 5.281 0 40 HKAB Cc1ccc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1 6552561 ZVAZIVUQRLXUEF-UHFFFAOYSA-N 407.973 5.356 0 40 HKAB COc1cc(NC(=O)N2c3ccccc3Sc3ccccc32)c(OC)cc1Cl 6732396 CNBIZPUOHYOIKH-UHFFFAOYSA-N 412.898 6.192 0 40 HKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc2ccccc2c1 6826420 HQENIFNAAYGBKT-UHFFFAOYSA-N 420.516 6.258 0 40 HKAB Cc1cc(C)cc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1 6963435 HWAASUASXLAMNF-LPYMAVHISA-N 419.912 5.462 0 40 HKAB Cc1c(Cl)cccc1-n1c(SC[C@@H]2CCCCO2)nc2ccccc2c1=O 7793336 ZGCLNVIPMDJXJO-HNNXBMFYSA-N 400.931 5.009 0 40 HKAB O=C(COc1ccccc1-c1ccccc1)N(Cc1cccs1)C[C@@H]1CCCO1 8062690 ZQTPTALIOGRKNF-FQEVSTJZSA-N 407.535 5.002 0 40 HKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)/C=C/c1ccccc1 8367640 RYSJIAALKNWRIB-CCEZHUSRSA-N 404.473 5.534 0 40 HKAB CCN(CC)c1ccc(-c2nnc(SCc3csc(-c4ccccc4)n3)o2)cc1 9669885 KEKWNZKKVMXRAG-UHFFFAOYSA-N 422.579 5.999 0 40 HKAB CC(C)(C)c1ccc(CCC(=O)NCCSCc2c(F)cccc2Cl)cc1 10367312 FEVAODKWAVYSSV-UHFFFAOYSA-N 407.982 5.759 0 40 HKAB O=C(c1ccccc1F)N1CCc2cc(-c3csc(-c4cccnc4)n3)ccc21 12186125 RGVPAOOHGOMVIK-UHFFFAOYSA-N 401.466 5.214 0 40 HKAB Cc1ccc(C(C)C)c(OCCn2c(CNC(=O)c3ccco3)nc3ccccc32)c1 12539729 JSOSVNATEHNFAR-UHFFFAOYSA-N 417.509 5.070 0 40 HKAB COc1ccc(Nc2ccc(NC(=O)CCc3cccc(OC)c3OC)cc2)cc1 12554886 RRXZMCRMMQWXID-UHFFFAOYSA-N 406.482 5.027 0 40 HKAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H](Sc1ccccc1)c1ccccc1 12782073 CRKAKRNOBUJVPM-JOCHJYFZSA-N 406.507 5.126 0 40 HKAB CC(C)Cc1ccc([C@H](C)NC(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1 13040115 ZBYDPZSTZWRDCU-KRWDZBQOSA-N 413.583 5.250 0 40 HKAB Cc1sc2nc(CSc3ccc(Cl)cc3)nc(N3CCN(C)CC3)c2c1C 13095312 BHZREAJWASTZAE-UHFFFAOYSA-N 419.019 5.006 0 40 HKAB COc1ccc(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)cc1OC 14498083 PCMJFBPKVFENRS-UHFFFAOYSA-N 418.518 5.203 0 40 HKAB Brc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)s1 15016838 YLASXUIRBMWQIW-SCLBCKFNSA-N 417.353 5.814 0 40 HKAB O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)N1CCC(Cc2ccccc2)CC1 17091660 BKSZDXISOFXAEW-UHFFFAOYSA-N 418.773 5.290 0 40 HKAB CCOc1ccc(C(=O)Nc2nn(CC(C)C)c3nc4cc(C)ccc4cc23)cc1 17251828 IXDKTDIBSMYIAK-UHFFFAOYSA-N 402.498 5.200 0 40 HKAB COc1cc(CNn2c(-c3ccccc3)n[nH]c2=S)ccc1OCc1cccs1 22111328 HHDQSBIWYMFFNC-UHFFFAOYSA-N 424.551 5.000 0 40 HKAB O=C(CCSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccccc1F 24840217 QVVMQTPSDSTKBN-UHFFFAOYSA-N 424.526 5.256 0 40 HKAB CC(C)c1noc2ncc(C(=O)N3CCc4sccc4[C@@H]3c3ccccc3)cc12 25902829 ITTTZRNFVMMOEG-NRFANRHFSA-N 403.507 5.196 0 40 HKAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccc(-c2nc3ccccc3o2)cc1 26147124 HMAMDKCNLNZKGY-UHFFFAOYSA-N 416.462 5.178 0 40 HKAB Cc1cccc(/C=C(/c2nc(-c3ccccc3)cs2)c2nnc3n2CCCCC3)c1 33458905 KCBUMAQELGRFFP-LTGZKZEYSA-N 412.562 6.025 0 40 HKAB CCOc1ccccc1-c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 35316994 QAPWCDVIJUYUPZ-UHFFFAOYSA-N 418.880 6.313 0 40 HKAB C[C@@H](OCCCNC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1)c1ccccc1 36397115 MOCIGAJJUKBTTC-GIVPXCGWSA-N 420.578 5.630 0 40 HKAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)cc1 39758757 XCBVXORVYASVCT-UHFFFAOYSA-N 410.867 5.518 0 40 HKAB CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccccc1C(F)(F)F 41076931 CSGXWROYTWLOKB-UHFFFAOYSA-N 417.431 5.218 0 40 HKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(I)cc1C 44840182 YRLAMNWNFPYPDF-KRWDZBQOSA-N 423.294 5.013 0 40 HKAB COc1ccc(NC(=O)[C@@H](C)SC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 48373928 WCDQFWPGDULMOC-OAHLLOKOSA-N 413.489 5.823 0 40 HKAB CN(Cc1cc(Br)cs1)C(=O)c1cccnc1Nc1ccccc1F 58328101 VHQDECRTHIIQDJ-UHFFFAOYSA-N 420.307 5.061 0 40 HKAB C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 64622601 INLFWQCRAJUDCR-UQNFBJEVSA-N 400.647 6.823 0 40 HKAB in-vitro Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)cc1C 67294889 LNBDYHWUGAGKKS-GFMRDNFCSA-N 409.898 5.644 0 40 HKAB CCc1cccc(/N=c2\oc3c(OC)cccc3cc2C(=O)Nc2cccc(C)n2)c1 67295607 FPSMNQXUZLNSDD-RFBIWTDZSA-N 413.477 5.192 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1 72230037 FKWMWCNLHUJFEY-XMMPIXPASA-N 423.940 5.737 0 40 HKAB C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 106672058 YRHOVLVBPQGPQJ-PPULILFRSA-N 419.956 5.747 0 40 HKAB COc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1 106972309 NXGCUOKCOYAQTQ-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB COc1ccc(C(=O)c2c(-c3ccc(OC)cc3)sc3cc(OC)ccc23)cc1 139235530 RFSCQXPHEFFAAZ-UHFFFAOYSA-N 404.487 5.825 0 40 HKAB COc1ccc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc1Br 214609439 NXOHXXKSWNGKGL-LICLKQGHSA-N 418.312 5.003 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCc1cccc(OC(C)C)c1 222933037 QICINBWKYPNZSW-DEOSSOPVSA-N 411.586 5.678 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)cc1Cl 223261757 FIYGMCAYBWRXQH-OAHLLOKOSA-N 403.906 5.355 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Br)c(Cl)c1 223355797 MZFXADQMZPRFMN-LJQANCHMSA-N 422.750 5.777 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C)c1ccc(C)c(C)c1 224167529 XHQUPMRQZKSGMK-KDYMBEQYSA-N 416.521 5.243 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1cccc(C)c1 224386736 JGICAPRKUZEFBQ-UHFFFAOYSA-N 403.478 5.428 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C 225580689 BAUZWNAYFDHJQE-KRWDZBQOSA-N 401.934 5.513 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1C(=O)OC 225678314 CBBOEJVRLKKZEW-UHFFFAOYSA-N 409.526 5.411 0 40 HKAB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 247842149 ONASDRLHBXVPID-ADGIFASQSA-N 402.321 6.077 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21)c1ccccc1 408619101 FZUJTUZRHPHRLO-NBJYBMASSA-N 410.300 5.389 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2cccc(Cl)c2)cc1 408696295 ZKFJFDYFQRBJHW-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccccc2C)c1 408697550 HQSGMMMPJQDHPO-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CC(C)N(C(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)C(C)C 408976335 FJRDDWBLHIYVFX-UHFFFAOYSA-N 421.591 6.346 0 40 HKAB O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)NC(=S)N1C1CCCCC1 409082812 SZXDCKGPINQTKM-ATVHPVEESA-N 420.456 5.356 0 40 HKAB C[C@@H](Oc1ccccc1)C(=O)Nc1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl 713049 VICXSUPOUGJWPB-CQSZACIVSA-N 412.848 5.137 0 40 HKAB Cc1cccn2cc(-c3ccc(NC(=O)c4ccccc4Br)cc3)nc12 936134 XUGIXXRHNRJQEN-UHFFFAOYSA-N 406.283 5.325 0 40 HKAB COc1cccc(C(=O)c2oc3nc(-c4cccs4)cc(-c4ccco4)c3c2N)c1 1036651 WNMKPPWENWGQHI-UHFFFAOYSA-N 416.458 5.638 0 40 HKAB CN1[C@H]2CC[C@@H]1CC(N(CCc1ccccc1)C(=O)c1cc(Cl)cc(Cl)c1)C2 1507468 UEDDLRKJYMSMJY-CBQGHPETSA-N 417.380 5.304 0 40 HKAB Cc1ccc(OP(=O)(Nc2cccc(C(F)(F)F)c2)Oc2ccc(C)cc2)cc1 1858381 QYFSEQYVJSOMTB-UHFFFAOYSA-N 421.355 7.000 0 40 HKAB O=C(Oc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1)c1ccccc1 2078979 MLLUXMVGQXSTCI-UHFFFAOYSA-N 402.453 6.183 0 40 HKAB Clc1cccc(-n2ncc3c2ncn2c(-c4ccc(Cl)cc4Cl)nnc32)c1 2198615 GUARIFABUHTXOK-UHFFFAOYSA-N 415.671 5.090 0 40 HKAB O=C(NC1=NC2=C(CCCC2)C2(CCCCC2)S1)Nc1ccc(Cl)c(Cl)c1 2207768 CZQLPPUSDAIQMD-UHFFFAOYSA-N 424.397 6.749 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 2235038 GMCCGNBSESNQAO-UHFFFAOYSA-N 423.266 5.524 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1 2756395 NKYHBFHYTXWEQL-UHFFFAOYSA-N 420.723 6.787 0 40 HKAB O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)c1ccc(F)cc1 3111096 WMTPHVMFKXXEDL-UHFFFAOYSA-N 402.288 5.992 0 40 HKAB CC(C)c1ccc(Nc2nnc(SCC(=O)N3CCc4ccccc4C3)s2)cc1 3224219 DUPSOEPNNFSDQD-UHFFFAOYSA-N 424.595 5.082 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 3229761 FWXVBZKPHXCGAZ-UHFFFAOYSA-N 420.852 5.252 0 40 HKAB COc1ccc(C(=O)CSc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 3230541 BHEQJFIGGMCAHI-UHFFFAOYSA-N 420.921 5.934 0 40 HKAB COc1ccc(OC)c(/C=C/C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c1 3303697 CRRLKSAGAOAXJD-FMIVXFBMSA-N 420.534 5.358 0 40 HKAB O=C(Nc1ccc(Cl)cc1F)c1cccc(CSc2ccc(Cl)cc2)c1 3330900 WCJUBLZKMIMFEC-UHFFFAOYSA-N 406.309 6.677 0 40 HKAB CCOc1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1OCc1ccc(Cl)cc1 3672734 JMJDVROOOIUSEN-UHFFFAOYSA-N 423.900 5.099 0 40 HKAB Cn1c(Sc2ccc(F)cc2)c(C(=O)Nc2ccc(Cl)cc2)c2ccccc21 4052745 IVNNJQJNKUEISI-UHFFFAOYSA-N 410.901 6.374 0 40 HKAB COc1cc2c(cc1NC(=O)Nc1ccc(Cl)cc1Cl)oc1ccccc12 4690064 JWHJHUUOXBJAHD-UHFFFAOYSA-N 401.249 6.545 0 40 HKAB Cc1ccnc(N(C(=O)c2ccc(C)c(Cl)c2)C(=O)c2ccc(C)c(Cl)c2)c1 4710386 HBPMHURRFGMBBA-UHFFFAOYSA-N 413.304 5.801 0 40 HKAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1OCc1ccccc1 4742599 ZOISFEJUMVIQPA-UHFFFAOYSA-N 418.493 5.704 0 40 HKAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)cc2)n2c(nc3ccccc32)N1 4767863 WBIJTHWWLNLYLY-QFIPXVFZSA-N 421.928 5.855 0 40 HKAB CCOc1ccc2ncc3c(-c4cccc(OC)c4)nn(-c4ccc(F)cc4)c3c2c1 4970278 MGDYDSIKWPIZPJ-UHFFFAOYSA-N 413.452 5.787 0 40 HKAB Cc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2NC2CCCCC2)cc1 5105031 YRQYUGOENIATHT-IZLXSDGUSA-N 409.577 6.252 0 40 HKAB CCOc1ccccc1O[C@@H](C)C(=O)Nc1cc2oc3ccccc3c2cc1OC 5295221 LPEMBGYMXMNQNH-HNNXBMFYSA-N 405.450 5.399 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(c1ccc(C)cc1)C(=O)C2 5541467 HNDGWFUTBQILAB-DEOSSOPVSA-N 407.897 5.344 0 40 HKAB Cc1nn2c(SCC(=O)c3ccccc3)cc(C(C)(C)C)nc2c1-c1ccccc1 5561212 TWUVSUUFFLOJQA-UHFFFAOYSA-N 415.562 5.977 0 40 HKAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[C@@H]1C 5672854 WWXUKUSAZPUNND-CBGDNZLLSA-N 401.591 5.379 0 40 HKAB Cc1ccc(C2=N/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C(=O)O2)cc1 5698700 ARHROUMJNDVDPD-HYARGMPZSA-N 403.865 5.572 0 40 HKAB CC(=O)c1ccc(-n2c(SCc3ccc(F)cc3)nc3ccccc3c2=O)cc1 5752543 CMCDJDKHBQPUBH-UHFFFAOYSA-N 404.466 5.020 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c(C)c1 6275870 UXCBNEAKEVNOKS-UHFFFAOYSA-N 414.534 5.282 0 40 HKAB C[C@H](OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2ccccc2o1 6653492 XICHHYQOHIXARU-JTQLQIEISA-N 402.290 6.388 0 40 HKAB CCCCCCNCc1cc(Br)c(OCc2ccccc2)c(OCC)c1 7260963 DMIMJOLDJLKSNK-UHFFFAOYSA-N 420.391 6.097 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CN1c1cccc(Cl)c1 7542855 YXZBMOMPIMEFPS-LJQANCHMSA-N 421.972 6.181 0 40 HKAB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 7928816 DNQTVUOXDHAOCT-AWEZNQCLSA-N 420.336 5.640 0 40 HKAB COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1OCc1ccc(F)cc1 8193024 GGHGXWMWTLTVNS-DEOSSOPVSA-N 418.468 5.142 0 40 HKAB Cc1ccccc1CSCCNC(=O)CSCc1c(Cl)cccc1Cl 8571139 RZZBCQYTSLZNTQ-UHFFFAOYSA-N 414.423 5.585 0 40 HKAB Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)n1 8845936 VAJYJZFOUSAKMX-HXUWFJFHSA-N 420.827 5.039 0 40 HKAB FC(F)(F)c1cccc(Sc2nc3ccccc3cc2-c2ccc(Cl)cc2)c1 8855490 VDLOKWPLUQOAJD-UHFFFAOYSA-N 415.867 7.725 0 40 HKAB Cc1ccc(SCc2cc(=O)[nH]c(Nc3nc(C)c4cccc(Cl)c4n3)n2)cc1 9190044 OJUPXGAOCDABEP-UHFFFAOYSA-N 423.929 5.019 0 40 HKAB Fc1ccc([C@@H]2C[C@H](c3cccc(Br)c3)n3c(nc4ccccc43)N2)cc1 9291379 QSULNCBFCZISDR-PZJWPPBQSA-N 422.301 6.084 0 40 HKAB COc1ccc([C@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 9292721 NODIDDNOQMKCQW-RBBKRZOGSA-N 424.331 6.498 0 40 HKAB O=C([C@H]1COc2ccccc2O1)N(c1ccc(Cl)cc1)c1nc2ccccc2s1 9949753 WDJCFOBTPXZGTO-LJQANCHMSA-N 422.893 5.454 0 40 HKAB Cc1c(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)[nH]c2c1C(=O)CC(C)(C)C2 9996186 GNXHYQRSDHOVTB-HNNXBMFYSA-N 421.566 5.108 0 40 HKAB CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccc(-c3ccc(F)cc3)cc2)C1 12157714 TVZRFUQJUZZYSK-GMAHTHKFSA-N 423.557 5.039 0 40 HKAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CSc2cc(C)c3ccccc3n2)c1 12539131 HIDSSXIWUDHUQW-NRFANRHFSA-N 422.550 5.016 0 40 HKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OC(=O)c4cccs4)c2)N3)C1 15947647 VBNCUZIHZUJHJH-BLVKFPJESA-N 424.547 5.583 0 40 HKAB CC1=CC(=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)CC(C)(C)C1 16607138 UPGFECCEIGQOKD-UHFFFAOYSA-N 416.546 5.414 0 40 HKAB Cc1ccc(-c2nn(Cn3nc(C)c(Cl)c3C)c(-c3ccc(C)cc3)c2C)cc1 17083093 XAZLSTZNOYMBPN-UHFFFAOYSA-N 404.945 6.115 0 40 HKAB O=C(COc1ccccc1Cl)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 17092450 DPRAZDFBWUAQGX-UHFFFAOYSA-N 420.852 5.356 0 40 HKAB O=C(Nc1nc(-c2ccncc2)cs1)c1ccc(-c2nc3ccccc3s2)s1 17201258 NHLDPCCGPPGIQB-UHFFFAOYSA-N 420.544 5.796 0 40 HKAB CCOc1ccc(Nc2nn(-c3ccccc3)c3c2C(=O)C[C@@H](c2ccco2)C3)cc1 19817277 FUVPZGDRWCESPM-KRWDZBQOSA-N 413.477 5.520 0 40 HKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 20025323 SVWMIGCETSKTFP-UHFFFAOYSA-N 423.356 6.495 0 40 HKAB Cc1ccc(OCc2nc(CC(=O)N3CCC(Cc4ccccc4)CC3)cs2)cc1 20397499 RYTDEBZWFRLLPA-UHFFFAOYSA-N 420.578 5.054 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 20456799 VSEHGSACHKIXFL-GOSISDBHSA-N 424.500 5.592 0 40 HKAB CCOc1ccccc1C(=O)Nc1cccc(-c2nc(-c3ccc(OC)cc3)no2)c1 20900048 POJSHEQQYYBLDT-UHFFFAOYSA-N 415.449 5.063 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1 21580389 GOCZGOKFKFFXIA-UHFFFAOYSA-N 415.493 5.670 0 40 HKAB Cc1nc(COc2ccc(C(C)(C)C)cc2)sc1C(=O)Nc1ccc(Cl)cc1 27912731 RSOMKCSSLNKVLX-UHFFFAOYSA-N 414.958 6.234 0 40 HKAB Cc1cnc2c(S(=O)(=O)N3CCCC[C@@H]3c3nc4ccccc4s3)cccc2c1 29349522 VUZCESXZWUQFDK-GOSISDBHSA-N 423.563 5.069 0 40 HKAB Cc1noc(C)c1CN(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 32751369 KAKOERRWOMJNNL-UHFFFAOYSA-N 406.917 5.430 0 40 HKAB Cc1cccc(/C=C(/C(=O)NCc2ccc(NC(=O)C(C)C)cc2)c2cccs2)c1 32906941 ZWYAEPQVPVUSEJ-PXLXIMEGSA-N 418.562 5.508 0 40 HKAB CC(C)(C)[C@@H]1CCCc2c(C(F)(F)F)nn(-c3nc(-c4ccccc4)cs3)c21 33435775 RYQCENUTCNMOPW-OAHLLOKOSA-N 405.489 6.481 0 40 HKAB O=C(Cc1cccc2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 34903429 RHEBHYVLULXPEH-UHFFFAOYSA-N 420.556 5.316 0 40 HKAB CC(C)(C)C(=O)OCC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 36387179 VVOIQBFMTVCINR-MALOBWPNSA-N 414.586 5.293 0 40 HKAB world Cc1noc2nc(-c3ccco3)cc(C(=O)NC(c3ccccc3)c3ccccc3)c12 36617427 JNTBAJITLWEUEP-UHFFFAOYSA-N 409.445 5.311 0 40 HKAB CCCc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)nnn1-c1ccc(Cl)cc1 36636045 MMWXCTAYNBVUCK-UHFFFAOYSA-N 409.704 5.432 0 40 HKAB CC(C)Sc1ncc(-c2ccc(Br)cc2)n1-c1cccc(Cl)c1 44087424 WHDUVAIBOOPRFO-UHFFFAOYSA-N 407.764 6.456 0 40 HKAB CC(C)(C)c1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc(C(C)(C)C)c1O 50547892 CKVHQJMUDZSEAK-UYRXBGFRSA-N 424.566 6.081 0 40 HKAB Brc1ccsc1-c1csc([C@H]2CN(Cc3ccccc3)CCO2)n1 65567512 KAKZZZZWCPZSGV-MRXNPFEDSA-N 421.385 5.208 0 40 HKAB Cc1cnc(Nc2cccc([C@@H]3CCCN3Cc3ccc4ncccc4c3)n2)s1 72375359 BHOBXWUIARXLEN-NRFANRHFSA-N 401.539 5.475 0 40 HKAB O=C(c1cccc(Cl)c1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 77177385 PKZJYPOIGPMTSN-CQSZACIVSA-N 401.894 5.017 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H]1CCc2c(Cl)cccc21 84019827 ILQWWKUODYDBCS-INIZCTEOSA-N 405.256 5.513 0 40 HKAB CCc1ccc2nc(NC(=O)C34C[C@@H]5C[C@H](CC(Br)(C5)C3)C4)sc2c1 102070359 RQLCIMMKMSMQNN-NILVNCKXSA-N 419.388 5.531 0 40 HKAB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@@H](c4cccs4)C3=C(O)C2)cc1OC 102740088 XNGOKXJGXLVDES-RCDICMHDSA-N 422.506 5.669 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)NCCSCc1ccccc1 222716475 ICZKQQXSVSMOCA-UHFFFAOYSA-N 400.396 5.276 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccccc3C)CC2)cc1C(C)C 223348713 XQINAXJHGZAAFQ-OAQYLSRUSA-N 422.613 5.525 0 40 HKAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccc(CSc2ccccc2)cc1 224158253 REZJDRYFOJVLIK-UHFFFAOYSA-N 403.547 5.875 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccc(C(C)(C)C)cc1 224179371 JAFWXYKMLRHBGS-UHFFFAOYSA-N 403.522 6.132 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 224219683 LTQZDZZFUWQHGG-ZEQRLZLVSA-N 410.546 5.358 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)c1 224252213 PHOXIBPKCLKCCR-ZEQRLZLVSA-N 416.594 5.874 0 40 HKAB Cc1ccc([C@H](NC(=S)Nc2cccc(Br)c2)c2ccccc2)cc1 225508661 VAJHEMYABBHWQL-HXUWFJFHSA-N 411.368 5.834 0 40 HKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 225510247 DCOIAQJCHCUMNX-FQEVSTJZSA-N 400.469 6.090 0 40 HKAB COC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 226340993 ABKLAODXPXEZGL-QPJJXVBHSA-N 416.098 5.521 0 40 HKAB C[C@@H]1O[C@@H]2c3cc(C(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(Cl)c(Cl)c1 257212450 CDLJGCRVBSLFEJ-QFJVWABPSA-N 421.320 6.113 0 40 HKAB Cc1cc(C)n(-c2cccc(C(=O)N3CCC[C@H](Cc4cccc5ncccc45)C3)c2)n1 257234333 GTAKHUGOBNJKAM-OAQYLSRUSA-N 424.548 5.132 0 40 HKAB Cc1ccccc1CC(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1 390826549 AIRBJGMHPXYBCB-UHFFFAOYSA-N 402.494 6.106 0 40 HKAB CCc1ccc(CNC(=S)c2cccc(OC)c2OCc2ccc(F)cc2)cc1 408578123 VTOYGEPRYQPHDX-UHFFFAOYSA-N 409.526 5.441 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(Br)c2ccccc12 408600176 WGMRNGHHGKKYKZ-UHFFFAOYSA-N 406.732 5.987 0 40 HKAB COc1ccc(/C=C(/C(=O)Nc2ccc(Br)c(C)c2)c2ccccc2)cc1 408925103 MBXYJIRYOITIIQ-RCCKNPSSSA-N 422.322 5.945 0 40 HKAB CCOC(=O)C1=C(C)N=C(SCc2ccc(Cl)cc2)N[C@H]1c1ccccc1 408988178 HKDNRIFYSJAWHI-IBGZPJMESA-N 400.931 5.111 0 40 HKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 409109116 XZIWDMYLDOSCOV-UHFFFAOYSA-N 403.526 5.852 0 40 HKAB CCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)c2ccccc21 409110460 WGJLHGWQDGCEOZ-STZFKDTASA-N 403.453 5.320 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCSc2ccc(Cl)cc2)CC1 409114798 JIRUWHSXWBXENC-UHFFFAOYSA-N 409.382 5.133 0 40 HKAB O=C(Nc1cccc(F)c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409174389 RURSYWKDLUPLCQ-ISAVSCMOSA-N 412.508 6.375 0 40 HKAB Cc1ccc(COc2c(Cl)cc(CNc3ccc(Cl)cc3)cc2Cl)cc1 409175883 DABHZTALLAAKAH-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Fc1ccc(COc2ccc(CNc3ccc(F)cc3)cc2Br)cc1 409195607 JJWDGATWDSKHNL-UHFFFAOYSA-N 404.254 5.918 0 40 HKAB COc1ccc([C@H](C)CC(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)cc1 507275687 BSBLGYVDVRZZQM-JPYJTQIMSA-N 403.526 5.333 0 40 HKAB CC(C)CC(=O)N1CCCCCCCCN(Cc2cccnc2)Cc2ccccc21 643558991 INFHAPCSVMYARR-UHFFFAOYSA-N 407.602 5.817 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2ccc(C(C)C)cc2)sc2c1CC[C@H](C)C2 643679 XVEBARDUWXTGEN-HNNXBMFYSA-N 415.555 5.191 0 40 HKAB CCOC(=O)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCC)cc2)cc1 714672 QBYDTHQAHZGWEC-QHCPKHFHSA-N 416.477 5.033 0 40 HKAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1ccc(Cl)cc1 955546 ZJVVVYZVGDQVFT-UHFFFAOYSA-N 411.939 5.743 0 40 HKAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Nc1ccc(C(C)=O)cc1 955745 UZKFXDLCCBUGOP-UHFFFAOYSA-N 402.372 5.377 0 40 HKAB Cc1cc(C)c(C)c(Oc2coc3cc(OCC(=O)OCC(C)C)ccc3c2=O)c1 957226 IITQHKYNIALIDU-UHFFFAOYSA-N 410.466 5.089 0 40 HKAB CN(C1c2ccccc2Oc2ccccc21)S(=O)(=O)c1ccc2ccccc2c1 1865348 ZNUFADMZOLBMGM-UHFFFAOYSA-N 401.487 5.356 0 40 HKAB Cc1cccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccccc4Cl)OC3=O)cc2)c1 2052037 VGIIVSXCHSMVPD-STZFKDTASA-N 417.848 5.212 0 40 HKAB CC(C)(C)c1ccc(-c2nnc3c4cnn(-c5ccc(Cl)cc5)c4ncn23)cc1 2407374 ABCAFHRIAOEXCN-UHFFFAOYSA-N 402.889 5.081 0 40 HKAB Clc1cccc(Cl)c1CSc1nnc(-c2cnccn2)n1-c1ccccc1 2438148 WBQGISIGRDWDSY-UHFFFAOYSA-N 414.321 5.323 0 40 HKAB Cc1cc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c2ccccc2n1 2617807 GEEMPRZFVWBSBV-UHFFFAOYSA-N 410.499 5.078 0 40 HKAB CC(C)CN(C(=O)/C=C/c1ccc(Br)o1)c1nc2ccccc2s1 2659967 FYCAUJMFTQTMCV-CSKARUKUSA-N 405.317 5.354 0 40 HKAB COc1cccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)c3ccccc3n2)c1 2738753 IIUHFBIUOGTLRR-UHFFFAOYSA-N 423.299 6.470 0 40 HKAB CCN(CC)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 2741936 NYTJJUGLOXUUIE-UHFFFAOYSA-N 409.533 6.309 0 40 HKAB O=C(C[C@H](Nc1ccccc1)c1ccccc1)C[C@H](Nc1ccccc1)c1ccccc1 3057143 MBOMYSAVROKLDC-VMPREFPWSA-N 420.556 7.043 0 40 HKAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)c3ccc(Cl)cc3)cc12 3216139 DQVZLXMLUHAKDC-UHFFFAOYSA-N 410.882 5.089 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c(Br)c1 3287242 YVEFRQXEMPHBCL-UHFFFAOYSA-N 418.294 5.620 0 40 HKAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)CSc2ccc(C)cc2C)cc1 3288000 QXFLBMQWGYXQMB-UHFFFAOYSA-N 418.562 5.273 0 40 HKAB O=c1c2ccccc2nc(SCc2nc3ccccc3s2)n1-c1ccc(F)cc1 3310599 DHVIVLXCFUSLQM-UHFFFAOYSA-N 419.506 5.427 0 40 HKAB C[C@H]1CCc2c(sc3ncnc(Oc4ccc(C(=O)c5ccc(F)cc5)cc4)c23)C1 3327903 AZPSTOSOYSJGSM-AWEZNQCLSA-N 418.493 5.979 0 40 HKAB CCCCn1c([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 4033347 ONQOBBVBBSKROL-HNNXBMFYSA-N 401.432 5.376 0 40 HKAB Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1C 4109869 RLCSTULQCGTQFM-UHFFFAOYSA-N 406.448 5.330 0 40 HKAB O=C(c1cc2ccccc2o1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 4120454 PVNJHWJUMXPEEV-UHFFFAOYSA-N 404.413 5.197 0 40 HKAB CCNC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CC[C@@H](C(C)(C)C)C2 4525770 UOYNONLITLUDBO-CYBMUJFWSA-N 418.990 5.555 0 40 HKAB CCCc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)[C@H](C)[C@H]2CC)cc1 4663739 JAOGGJZRZKWTLZ-WMBPSLEXSA-N 412.577 6.867 0 40 HKAB C[C@H](COC(=O)C(O)(c1ccccc1)c1ccccc1)N(C1CCCC1)C1CCCC1 5046295 RQTDMICCMOXGPP-OAQYLSRUSA-N 421.581 5.041 0 40 HKAB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3c2COC(C)(C)C3)c1 5268000 WMVSFQBWKHWFHS-UHFFFAOYSA-N 419.550 5.034 0 40 HKAB Cc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 5499902 CCURQVIDEDJLLQ-QFIPXVFZSA-N 409.961 5.392 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1OCC 6026967 VIZZAWJTGVUUEZ-UHFFFAOYSA-N 402.494 5.864 0 40 HKAB COc1cccc(-n2c(SCc3ccc(Cl)cc3)nc3ccccc3c2=O)c1 6028411 WYNGJACJQWWIGD-UHFFFAOYSA-N 408.910 5.340 0 40 HKAB COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(Cl)cc3)n2)cc1OC 6334068 FYKOSFJYNCPLKK-BJMVGYQFSA-N 400.887 5.133 0 40 HKAB Cc1nn(Cc2ccccc2)c(C)c1/C=C(\CC(=O)O)c1nc2ccccc2s1 6543706 HLJNPKQCOWVJAA-LDADJPATSA-N 403.507 5.173 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C)cc1 6553294 YQLFMDPRBOMLLG-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1cccc(Nc2nnc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)s2)c1 6787342 WRKHJSSVTNYPLE-KBPBESRZSA-N 416.547 5.087 0 40 HKAB CCN(CC)[C@H](CNc1nc(C)nc2sc3c(c12)CCC3)c1ccccc1Cl 6880950 YCWBTMKSYLNHKT-GOSISDBHSA-N 415.006 5.637 0 40 HKAB Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCCCC3)cc2Cl)c(C)c1 8369206 LHJHCIGADRGRGF-UHFFFAOYSA-N 416.974 5.136 0 40 HKAB Cc1[nH]nc(-c2ccc(OCc3ccccc3F)cc2O)c1-c1ccc(Cl)cc1 8973098 RPCBAQHGOAAALV-UHFFFAOYSA-N 408.860 6.129 0 40 HKAB CSc1nc(N2CCCCC2)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4 9307107 YNRZKNGPMUSNEY-UHFFFAOYSA-N 422.579 5.700 0 40 HKAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1Cl 9498093 AWQBARAZDTUALU-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB Cc1nc(-c2cccc(NC(=O)c3cccc(OCc4c(C)noc4C)c3)c2)cs1 9531361 AOLWNMDKJKJFCV-UHFFFAOYSA-N 419.506 5.555 0 40 HKAB O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccc(O)cc1 10026895 AHNVUIPMEKCTNH-UHFFFAOYSA-N 413.930 5.394 0 40 HKAB Cc1cccc2sc(N(C[C@H]3CCCO3)C(=O)Cc3ccc(Cl)s3)nc12 10061460 XQANVXXCSWKETI-CYBMUJFWSA-N 406.960 5.074 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccccc1SCc1ccccc1 10337620 ROWOOTZXUPVBKS-UHFFFAOYSA-N 411.526 7.024 0 40 HKAB COc1cc(OC)c(C2=CCN(C(=O)Nc3cccc4ccccc34)CC2)c(OC)c1 11007653 ZJTPXPVZIJTSMB-UHFFFAOYSA-N 418.493 5.187 0 40 HKAB Cc1oc(-c2ccccc2)nc1CSc1nnc(-c2ccccc2F)n1C1CC1 12240372 NZNHICWBJFTKFF-UHFFFAOYSA-N 406.486 5.675 0 40 HKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc3c(c2)CCCN3C(=O)C(C)(C)C)cc1 12401520 SSMZQOWWFBTUJK-LJQANCHMSA-N 420.597 5.953 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 12540118 RHLJVVMVCBUARK-UHFFFAOYSA-N 407.926 5.841 0 40 HKAB COc1ccc([C@@H](CNc2ncnc3sc(-c4ccccc4)cc23)N(C)C)cc1 12614201 LYXLTHBZOFPIQS-HXUWFJFHSA-N 404.539 5.082 0 40 HKAB CC[C@@H](c1ccccc1)c1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1 13550287 PNCXRKQXRVOHPF-ZDUSSCGKSA-N 407.326 6.031 0 40 HKAB O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccccc1Cl 13576457 OFTFWTCKJPSMMA-UHFFFAOYSA-N 419.695 6.151 0 40 HKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cc3ccc(F)cc3Cl)n2)cc1 13960503 UBPHCLNQEBPIBZ-UHFFFAOYSA-N 422.887 6.075 0 40 HKAB CCn1c(SCc2cc(Cl)c3c(c2)OCCCO3)nnc1-c1cccs1 14128593 OQROZOFLHVNZIL-UHFFFAOYSA-N 407.948 5.134 0 40 HKAB Cc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3ccccc3)C2=O)cc1C 15412512 TXRDNNKPPFUSFH-HSZRJFAPSA-N 404.897 5.078 0 40 HKAB Cc1ccc(-c2nc(CNC(=O)c3oc4cc(C)c(Cl)cc4c3C)cs2)cc1 15832619 CEBCORFEVFVZTO-UHFFFAOYSA-N 410.926 6.065 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Cl)cc3Cl)o2)cc1Cl 16346682 JHSYAHZLCKSQJL-RMKNXTFCSA-N 406.696 6.867 0 40 HKAB COc1ccc(NC(=O)CSc2ncc(-c3ccc(C)c(C)c3)o2)cc1Cl 17053213 FMDRCVNFBAFEQF-UHFFFAOYSA-N 402.903 5.351 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 17091788 UUEORWWOVHRHKR-LBPRGKRZSA-N 419.365 6.255 0 40 HKAB CC(=O)N1CCc2cc(NCc3nc4ccccc4n3[C@H](C)c3ccccc3)ccc21 19459512 GALPSWZJXNPPRZ-GOSISDBHSA-N 410.521 5.167 0 40 HKAB COc1ccc(SCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 20049748 BYLDJHNIEFIOGP-UHFFFAOYSA-N 416.395 5.144 0 40 HKAB COc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 20411314 BTZSFAHJRRCHSH-UHFFFAOYSA-N 416.477 5.644 0 40 HKAB Cc1cc(Nc2ccccc2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 21150443 YJWXLIUUXGEDMR-UHFFFAOYSA-N 402.807 6.121 0 40 HKAB Cc1ccc(OC(=O)c2nc(SCc3ccccc3Cl)ncc2Cl)cc1 27995518 JAAOPZVZQVEVRX-UHFFFAOYSA-N 405.306 5.603 0 40 HKAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 30943809 WSZGZJNYFSXDJA-QGZVFWFLSA-N 419.396 5.343 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(-c2ccccc2)cc1Cl 31981838 OMPVSQCJHNVEGX-XMMPIXPASA-N 416.908 5.910 0 40 HKAB CCc1ccc(O[C@@H](C)c2nnc(SCc3ccc(Cl)cc3Cl)n2C)cc1 33750790 VVTVBHWCFVRNQJ-ZDUSSCGKSA-N 422.381 6.117 0 40 HKAB COc1ccccc1Nc1c(-c2cc(Br)ccc2O)nc2ccccn12 35616320 JSTBRPMLTBRMSY-UHFFFAOYSA-N 410.271 5.222 0 40 HKAB O=C(CSc1ccc(-c2cccc(Br)c2)nn1)c1ccc(F)cc1 57486351 OYFWJLAFZNYQSZ-UHFFFAOYSA-N 403.276 5.020 0 40 HKAB O=C(C1CCCC1)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359652 COZKVPYZNFALAN-QGZVFWFLSA-N 403.448 5.059 0 40 HKAB COC(=O)c1cccc(-c2cc(C(F)(F)F)cc(-c3cccc(C(=O)OC)c3)n2)c1 91695629 QRGNFQLUPDIZLI-UHFFFAOYSA-N 415.367 5.008 0 40 HKAB Brc1ccc(-c2cs/c(=N/c3ccccc3)n2Cc2ccco2)cc1 100791392 PLSJWMFEPZGMTA-LSDHQDQOSA-N 411.324 5.853 0 40 HKAB O=C(NCC12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)c1ccc(Cl)cc1Cl 100871914 ACCJMIHGBBELMP-GAAJCNLQSA-N 414.376 6.261 0 40 HKAB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1cccc(Cl)c1 106971006 VKLADSCSFRYVRV-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB O=C1NC(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)S1 113831085 SCCLOMOYGBUCPF-REZTVBANSA-N 403.290 5.320 0 40 HKAB CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118913878 CSVWWLUMXNHWSU-VKFLXODOSA-N 414.718 7.881 0 40 HKAB biogenic,in-vitro C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 222656784 LBOPXGLNRMSOOQ-FQEVSTJZSA-N 422.613 5.249 0 40 HKAB O=C(NCc1ccc2ccccc2c1)c1ccc(CSc2ccc(Cl)cc2)cc1 222748229 CICMLXFBYVNWIX-UHFFFAOYSA-N 417.961 6.716 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 222971598 XZPIUAMBTUZRAQ-UTKZUKDTSA-N 411.542 5.313 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccc(C)c(C)c1 224290651 GNDLIEXGXMQBHF-UHFFFAOYSA-N 413.876 5.936 0 40 HKAB O=C(NCc1cccc(CN2CCCCC2)c1)/C(=C/c1ccccc1)c1ccccc1 224647265 VUDDXJCTWPVCAV-NHFJDJAPSA-N 410.561 5.530 0 40 HKAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1OCc1ccccc1 225008319 LMQWVXSFLWIOEN-UHFFFAOYSA-N 422.912 5.008 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCC1(c2ccccc2)CCOCC1 225278721 WZDALXIFAMDLKW-UHFFFAOYSA-N 424.393 5.091 0 40 HKAB CCOc1ccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)cc1 225344437 WYARRQOOJZPIIZ-UHFFFAOYSA-N 415.411 5.612 0 40 HKAB CCOC(=O)c1cc(NC(=O)C(CC(C)C)(CC(C)C)OC)ccc1OC(C)C 225798394 GGXGHSSOABELMP-UHFFFAOYSA-N 407.551 5.066 0 40 HKAB COC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1cccc(Cl)c1Cl)N2 247840830 NUZQUUYDZHIJEP-BLDFNJLHSA-N 402.321 6.077 0 40 HKAB Cc1sc(Nc2ccc(Cl)cc2Cl)nc1-c1ccc(Cl)c(Cl)c1 409048857 UGYPITLSKTVWFP-UHFFFAOYSA-N 404.149 7.476 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccco2)oc(-c2ccccc2)c1-c1ccccc1 409116449 NURQZIIBLZWQMG-UHFFFAOYSA-N 401.418 5.636 0 40 HKAB CCOc1ccc(NCc2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 409121634 XGKLTIDSMCQYSM-UHFFFAOYSA-N 417.936 7.083 0 40 HKAB COc1ccc(N2C(=O)c3ccccc3NC23CCN([C@H]2CCC[C@H](C)C2)CC3)cc1 506287040 YJJASTAKZWUKPP-FPOVZHCZSA-N 419.569 5.138 0 40 HKAB Cc1cc(N(C)C)cc(C)c1NC(=O)N1CCC(c2noc3cc(F)ccc23)CC1 558448837 QHMFDIGSWUNOAE-UHFFFAOYSA-N 410.493 5.061 0 40 HKAB COCc1ccccc1-c1ccc2c(c1)C1(CCOCC1)CN2C(=O)c1ccc(C)o1 585105731 HMCWAFOIQHSHHN-UHFFFAOYSA-N 417.505 5.110 0 40 HKAB CCCc1ccc(OCc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 648351 CPFGGIDXMTXQMU-UHFFFAOYSA-N 404.293 6.370 0 40 HKAB COc1cccc2cc(-c3csc(Nc4ccc(Cl)cc4Cl)n3)c(=O)oc12 856327 DSBMMSNXMADRTQ-UHFFFAOYSA-N 419.289 5.976 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(C)c(C)c4)ccc3o2)c(C)c1 989765 ZXSBOGKDERJVAX-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB COc1ccc(-c2c(C)c3cc(Br)cc(Cl)c3oc2=O)cc1OC 1080954 PCMQBGJNSIDSDR-UHFFFAOYSA-N 409.663 5.202 0 40 HKAB biogenic Cc1sc2nc(C3CC3)nc(SCC(=O)Nc3ccccc3Cl)c2c1C 1377379 BXFAOLBOWBRPKN-UHFFFAOYSA-N 403.960 5.570 0 40 HKAB CCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(C)cc(C)cc23)cc1 1774761 OCEPPJKTYMGWHA-UHFFFAOYSA-N 406.482 5.339 0 40 HKAB CCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 2052098 NFGXAHHUVAEFEQ-UHFFFAOYSA-N 405.882 5.291 0 40 HKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)c3ccc(C)c(C)c3)c2c1 2078751 SCUNZOPQAMFDTC-UHFFFAOYSA-N 409.485 5.867 0 40 HKAB COc1ccc([C@@H]2CC(=O)c3ccccc3O2)cc1CSc1nc2ccccc2[nH]1 2214595 FHADVQPXZQUWAV-QHCPKHFHSA-N 416.502 5.570 0 40 HKAB CC(C)CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 2254535 HCSFQZURERRUMS-UHFFFAOYSA-N 414.596 5.437 0 40 HKAB Clc1ccc(-c2nc(Nc3cccc4ccccc34)c3ccccc3n2)c(Cl)c1 2270075 ZDAVVTVTJJQDRM-UHFFFAOYSA-N 416.311 7.500 0 40 HKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(N[C@@H]4C[C@H](C)CC(C)(C)C4)ncnc32)c1 2714925 POPIZNUTAKRJLD-RBBKRZOGSA-N 424.592 7.023 0 40 HKAB O=C(N[C@@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl)OCc1ccccc1 3065291 JACRQPMNCLCOPA-GOSISDBHSA-N 423.727 5.874 0 40 HKAB CC(C)N(C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccccc1 3270623 HKMHVGBXEZNRCO-UHFFFAOYSA-N 414.461 5.093 0 40 HKAB Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 4071167 NERAUEVVTNXUNK-UHFFFAOYSA-N 404.560 6.464 0 40 HKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1ccccc1F 4737035 XOSKEOKXYUSCAE-HSZRJFAPSA-N 413.452 5.165 0 40 HKAB Cc1ccc(NC(=O)NC2(C(=O)Nc3ccc(C(F)(F)F)cc3)CCCCC2)cc1 4967915 SWXCLWIPLHLIII-UHFFFAOYSA-N 419.447 5.477 0 40 HKAB CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CCCCCC2 5979991 VKAOBCVFWLDATQ-UHFFFAOYSA-N 402.585 5.070 0 40 HKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccc(F)cc3)cc2Cl)cc1C 6234109 WEAIMDQFANSDPT-UHFFFAOYSA-N 412.892 5.726 0 40 HKAB O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)Nc1cc(Cl)cc(Cl)c1 6816719 UZDHYSKZOHZBBI-UHFFFAOYSA-N 413.260 5.411 0 40 HKAB O=C(c1ccc(Br)cc1)N1CCC(c2nc3ccccc3s2)CC1 7645018 YMBNDWHOYQWHKT-UHFFFAOYSA-N 401.329 5.079 0 40 HKAB CSc1ccc2cc(COC(=O)Cc3c(F)cccc3Cl)c(Cl)nc2c1 7990002 XPDURWXHXBZLBL-UHFFFAOYSA-N 410.297 5.689 0 40 HKAB CC(C)n1ncc2c(C(=O)Nc3ncc(Cc4ccccc4)s3)cc(C3CC3)nc21 8342608 BYPSMOHPYJZKAE-UHFFFAOYSA-N 417.538 5.189 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 8562967 RIEWYTFYOKZRQL-SFHVURJKSA-N 402.494 5.217 0 40 HKAB COc1ccc(Br)cc1CN(C)[C@@H](C)c1nnc(-c2ccc(C)cc2)o1 8936115 YLKSVHSGXFTCBJ-AWEZNQCLSA-N 416.319 5.009 0 40 HKAB Cc1ccc(C(=O)N2c3cc(Cl)ccc3-c3c(ssc3=S)C2(C)C)cc1 8951262 GVVCAVLZVSHTQZ-UHFFFAOYSA-N 418.008 7.063 0 40 HKAB O=C1S/C(=C/c2cccc3ccccc23)C(=O)N1Cc1cccc(Br)c1 9234203 DKDSGGVPKXRBRN-XDHOZWIPSA-N 424.319 5.839 0 40 HKAB Cc1ccc(-c2c(NC(=O)COc3ccc(Cl)cc3)oc3ccccc3c2=O)cc1 9303031 GNSAGGIMGDYXQO-UHFFFAOYSA-N 419.864 5.439 0 40 HKAB O=C(O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)cc1 9323577 OTNOEZRPNXYXSZ-YBFXNURJSA-N 423.421 5.020 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4C)cc(=O)c3c2)cc1OC 9660185 GMNZFJXMWPYBTL-UHFFFAOYSA-N 415.445 5.038 0 40 HKAB biogenic O=C(CCc1ccc(-c2ccccc2)o1)Nc1ncc(Cc2ccc(Cl)cc2)s1 11689913 BWHXUYBKNUSIGG-UHFFFAOYSA-N 422.937 6.219 0 40 HKAB COc1ccc(NC(=O)[C@H](C)Nc2ccc(-c3csc(C)n3)cc2)cc1Cl 12562353 YXERUFYQISCKFE-LBPRGKRZSA-N 401.919 5.220 0 40 HKAB O=C(NCc1cccc(C(F)(F)F)c1)N1c2ccccc2Sc2ccccc21 13574592 KKCOVQYFQVNUIR-UHFFFAOYSA-N 400.425 6.218 0 40 HKAB CC(C)n1ncc2cc(C(=O)Nc3ccccc3-c3nc4ccccc4s3)cnc21 14711931 LYDQCSCKMGFIRZ-UHFFFAOYSA-N 413.506 5.541 0 40 HKAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)Nc1cccc2ccccc12 15231192 ZBBDUSIFVWXVNG-UHFFFAOYSA-N 417.456 5.258 0 40 HKAB Cc1ccc(OCCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c(C)c1 16902455 ABSMKSGGZAISKK-FQEVSTJZSA-N 419.569 5.237 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 17093398 BTTSJVPHMKJPFL-UHFFFAOYSA-N 422.937 6.656 0 40 HKAB O=C(CCc1ccccc1)N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20521996 UKIGXRAROZAOAJ-QFIPXVFZSA-N 417.896 5.228 0 40 HKAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 22532554 UQUDYXKFBLBAGZ-IBGZPJMESA-N 416.370 5.209 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H](C)c1cc2ccccc2o1 23074681 ZGVZELMENISNLQ-NSHDSACASA-N 415.276 6.194 0 40 HKAB CCCN(C(=O)c1cccc(C)n1)c1nc(-c2ccc(Cl)cc2Cl)cs1 24735288 KSHFSUZWCGODNS-UHFFFAOYSA-N 406.338 5.877 0 40 HKAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OC 25878354 VEMUMDAIHHYRNL-QFIPXVFZSA-N 404.510 5.041 0 40 HKAB Cc1nn(-c2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)c(C)c1Br 27924692 CMBUYMBKHRJAFD-UHFFFAOYSA-N 421.245 5.174 0 40 HKAB CC(=O)c1ccc(NC(=O)c2ccn(COc3ccc(-c4ccccc4)cc3)n2)cc1 27971885 YFNUBSTZSXSPJP-UHFFFAOYSA-N 411.461 5.042 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CN1CCc1ccccc1 31903447 HBJLAWZKIILBEV-QHCPKHFHSA-N 415.581 5.565 0 40 HKAB CCOc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1C 33784838 WNWCYIASTTUBRS-UHFFFAOYSA-N 404.510 5.332 0 40 HKAB CSc1cccc(NC(=O)Cn2c(Cc3ccccc3C)nc3ccccc32)c1 40301318 ZPZBLDXKHMFWFO-UHFFFAOYSA-N 401.535 5.296 0 40 HKAB O=C(CCOc1cc(Cl)ccc1Cl)Nc1ccc(NC(=O)c2ccco2)cc1 44409028 GKBHEKRVALFRQT-UHFFFAOYSA-N 419.264 5.246 0 40 HKAB Cc1ccc2c(Nc3ccc(Br)cc3F)c(C(=O)OC(C)C)cnc2n1 49004502 DWQWNKPCBFNUPB-UHFFFAOYSA-N 418.266 5.149 0 40 HKAB COc1ccc(Cn2c(SCc3ccc(F)c(F)c3)nc3ccccc3c2=O)cc1 67258853 NJENPRUWKWAFTE-UHFFFAOYSA-N 424.472 5.024 0 40 HKAB CCN(Cc1nc(-c2cccs2)no1)C(=O)/C=C/c1ccc(Cl)cc1Cl 95482205 PDFOLJSOGJLLTQ-SOFGYWHQSA-N 408.310 5.167 0 40 HKAB CCOc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C1=O 97797808 WSQCTQFTERXMRY-QMWXCIFZSA-N 423.512 5.328 0 40 HKAB CCOc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F 107041651 OFTHJQPOWXZAIT-UHFFFAOYSA-N 403.856 6.208 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccccc1Cl 222911668 ZMRAAYNNFZVGJK-OAQYLSRUSA-N 420.018 5.845 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccccc2OCc2ccccc2)cc1C(C)C 223330660 JILBQJOAYNNCKC-HXUWFJFHSA-N 417.549 6.197 0 40 HKAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1ncc(Br)cc1Cl 223908367 DZNYOVFDQBHWQR-UHFFFAOYSA-N 422.735 5.244 0 40 HKAB CCSc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 223977931 AYCYLPDWGGYSCA-CYVLTUHYSA-N 408.548 5.270 0 40 HKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 224331620 NFMSGLKQSBLFCO-DNQXCXABSA-N 416.594 5.738 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1cccc(Cl)c1 224491213 RUYKFWKKISDBKV-UHFFFAOYSA-N 423.896 5.773 0 40 HKAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 224878612 NNASLMHYOLPYKN-MOPGFXCFSA-N 401.934 5.696 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCSCc1c(F)cccc1Cl 225326245 SEZFYQKQLXREKE-UHFFFAOYSA-N 420.764 5.768 0 40 HKAB Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)ccc1OCc1ccccc1 225521483 CBAWDLZMRWDHDR-UHFFFAOYSA-N 403.497 6.164 0 40 HKAB Fc1ccc(COc2ccc(CNC(=S)Nc3ccc(F)c(F)c3)cc2)cc1 225534508 GUUOLQQNCMFZJI-UHFFFAOYSA-N 402.441 5.170 0 40 HKAB O=C(O)c1ccc(CN(C(=O)c2ccc3sc(Cl)nc3c2)C2CCCCC2)o1 225980739 AEJAUABDAIBHQR-UHFFFAOYSA-N 418.902 5.216 0 40 HKAB Cc1cc(Nc2nccs2)cc([C@@H]2CCN(Cc3cccc4ncccc34)C2)n1 257254049 KBIRNWVUMIDUSV-GOSISDBHSA-N 401.539 5.128 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4ccc(Cl)cc4)o3)N21 260756050 DAKZMLRQPQXEDW-HBGVWJBISA-N 409.942 5.974 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OC 408558626 UZSINDIMHOBNSE-UHFFFAOYSA-N 421.493 5.927 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)cc2)c1C 408646665 UBEWEXDNUCHJGZ-NRFANRHFSA-N 414.505 5.083 0 40 HKAB COc1cc2c(cc1C)-c1nc(Nc3ccc(Br)cc3)sc1CC2 408884408 YZSDZGXABGDDCN-UHFFFAOYSA-N 401.329 5.732 0 40 HKAB O=C1S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1CCc1ccccc1 409008387 XTUCUIHOBDVVQU-ZHZULCJRSA-N 409.894 5.879 0 40 HKAB COc1cc(CNc2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl 409118239 SYFZPGXSGMGNPA-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB Clc1ccccc1NCc1ccc(OCc2ccccc2)c(Br)c1 409182426 MBWYOBIXKXNJKG-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB O=C1N/C(=C/c2cccc(OCc3ccccc3Cl)c2)C(=O)N1Cc1ccccc1 409204139 CAJINFUKEZRQHF-HYARGMPZSA-N 418.880 5.012 0 40 HKAB CCc1cc(C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)sc1-c1ccccc1 585152373 VVTMERDCGOBLLD-UHFFFAOYSA-N 407.535 6.043 0 40 HKAB CC(C)c1nc(Cc2ccc(Cl)cc2)c(C(=O)O)cc1-c1cccc(Cl)c1 585265556 SRMLRHYNOPJWOM-UHFFFAOYSA-N 400.305 6.468 0 40 HKAB COc1ccc([C@H](NC(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)C(C)C)cc1OC 604405512 PABBKQDMZDNDRK-NFBKMPQASA-N 421.541 5.259 0 40 HKAB biogenic CCc1cccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)c1 646554 CRIKKWWPLHJQMB-UHFFFAOYSA-N 423.485 5.517 0 40 HKAB Cc1cc(SCC(=O)c2cc(C)n(Cc3ccccc3)c2C)nc2ccccc12 1465358 YBWIVNJWGXZPSV-UHFFFAOYSA-N 400.547 5.985 0 40 HKAB CCC1=C(c2ccc(OC)cc2)C(C)(C)Oc2c1ccc(OC(C)=O)c2COC(C)=O 1867655 KHVACRWDPPJMQC-UHFFFAOYSA-N 424.493 5.175 0 40 HKAB biogenic,in-vitro CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C1CCCC1 2102634 VJORNDODGCUGJX-UHFFFAOYSA-N 422.344 5.483 0 40 HKAB O=c1c(SCc2ccccc2)c(S[C@H]2CCCCO2)cnn1-c1ccccc1 2183679 YMYQGRDILLDMCW-FQEVSTJZSA-N 410.564 5.144 0 40 HKAB COc1ccc(C(=O)Oc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)cc1 2222951 GCPKROWCWQXDKQ-UHFFFAOYSA-N 406.821 5.341 0 40 HKAB biogenic Clc1ccc(-c2nc(N3CCC(Cc4ccccc4)CC3)c3ccccc3n2)cc1 2268696 PFQWEWWJKLTHIR-UHFFFAOYSA-N 413.952 6.409 0 40 HKAB COc1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1Cl 2412554 JWPYEIDKDDYEIY-UHFFFAOYSA-N 405.837 5.374 0 40 HKAB O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCC(Cc2ccccc2)CC1 2737470 FZWBBWIZTQBYEM-UHFFFAOYSA-N 412.558 6.058 0 40 HKAB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)Nc1c(Cl)cccc1Cl 3235457 ICVOTGWGOAJHLD-UHFFFAOYSA-N 410.272 5.126 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1ncnc2ccccc12)c1ccccc1 3245822 YVFBUWNHBOHZJU-QFIPXVFZSA-N 415.518 5.419 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)c3csc4c3CC[C@H](C)C4)n2)c1 3287646 JGQCGKRKKAWHKA-LBPRGKRZSA-N 414.552 5.266 0 40 HKAB Cc1ccccc1NC(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 3322441 DVDVEFOWGHLIGR-UHFFFAOYSA-N 407.973 5.356 0 40 HKAB CC(C)(C)n1cc(C(=O)c2ccccc2OCc2cccc(C(F)(F)F)c2)cn1 4051127 FWKKMURKKVZYCG-UHFFFAOYSA-N 402.416 5.467 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@@H]2[C@H](C)CCC(=O)O)C1 4073863 JBALICPRCDQXRA-YGSBGBNUSA-N 416.602 5.998 0 40 HKAB biogenic CCc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)cc1 4134552 ZNDDZJHFRVIOAQ-UHFFFAOYSA-N 405.519 5.828 0 40 HKAB Cc1ccc(NCc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 4608474 PAKLKJQHSBLQSK-GDLZYMKVSA-N 417.556 6.963 0 40 HKAB Nc1c(C(=O)NC23CC4CC(CC(C4)C2)C3)sc2nc(-c3cccs3)ccc12 4733905 GSKQYQKELPCCGQ-UHFFFAOYSA-N 409.580 5.306 0 40 HKAB COc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccc(Cl)cc3)n2)cc1OC 4757772 JUXWDXGDODJXHZ-UHFFFAOYSA-N 423.822 5.445 0 40 HKAB COc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(C)c(C)c3)nc12 5142119 VHKLLWIBFKDFJG-UHFFFAOYSA-N 403.507 5.164 0 40 HKAB Cc1cc(NC(=O)c2cc(Br)ccc2Cl)ccc1Br 5960126 AOWSLSFWLSSTRU-UHFFFAOYSA-N 403.501 5.426 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1OC 6294879 JAVBRFGHCXWMAQ-UHFFFAOYSA-N 407.857 5.153 0 40 HKAB CC(=O)OC1=Cc2ccc3c(c2CC1)CC[C@]1(C)[C@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@@H]31 6762824 FUUPHHVMOSNLTD-VIIYQSFFSA-N 422.653 7.691 0 40 HKAB COc1ccccc1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 7604403 DTHXMBHUCCXVOU-UHFFFAOYSA-N 404.853 5.090 0 40 HKAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NCCC1=CCCCC1 7988513 NSASLZNCIUXCDS-UHFFFAOYSA-N 415.537 5.227 0 40 HKAB Cc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 8317959 WUSMGPIXYSLEAN-UHFFFAOYSA-N 416.521 5.562 0 40 HKAB COc1cc(CNC23CC4CC(CC(C4)C2)C3)ccc1OCc1cccc(Cl)c1 8471864 RXDQMRDZFJYXPF-UHFFFAOYSA-N 411.973 5.986 0 40 HKAB Cc1nc2c(-c3ccc(Cl)cc3)c(C)nn2cc1C(=O)Nc1ccccc1Cl 8490676 VUOPGZOIIBEWSV-UHFFFAOYSA-N 411.292 5.572 0 40 HKAB CCCc1cc(=O)oc2cc(OCC(=O)c3c(C)n(C)c4ccccc34)c(Cl)cc12 8918604 KIKGNYJEFRFFDX-UHFFFAOYSA-N 423.896 5.461 0 40 HKAB biogenic Cc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Cl)cc1Cl)C(C)(C)N2C 9089738 FKUYBCZBHJYXMD-NMWGTECJSA-N 421.418 7.009 0 40 HKAB S=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2cccc(Cl)c2)CC1 9188016 MJLXJKOLQGYZSL-UHFFFAOYSA-N 422.981 5.417 0 40 HKAB Cc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2cc(C)ccc2C)c1 9461085 OKWQTPNDQUDBJB-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB CCCC(=O)Nc1nc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2s1 10372807 KMFGJWDXLRXSCV-UHFFFAOYSA-N 407.539 5.485 0 40 HKAB Cc1nc(N2CCCCC2)sc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 12633680 ZNZKDHHACJFGLR-UHFFFAOYSA-N 400.551 6.166 0 40 HKAB CCc1cccc(CC)c1NC(=O)Cn1c(-c2ccccc2Cl)nc2ccccc21 12654058 OUZNWRBYLYXAAP-UHFFFAOYSA-N 417.940 6.120 0 40 HKAB COc1ccc([C@H]2CCCCCN2C(=O)CCc2nnc(-c3ccc(C)cc3)o2)cc1 12913905 ABGWXMVZFZGJPM-JOCHJYFZSA-N 419.525 5.130 0 40 HKAB Cc1ccc(NC(=O)NC[C@H]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)cc1 16293087 ITFQPGCPEKCPMO-BGYRXZFFSA-N 408.546 5.053 0 40 HKAB CCOP(=O)(OCC)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccco1 16750893 OKOKZOAPGVBBQB-UHFFFAOYSA-N 410.794 5.092 0 40 HKAB Cc1ccc(-c2nnc([C@H](C)OC(=O)c3cc(C(C)C)nc4ccccc34)o2)cc1 18024823 JWRCAALKJMYLCL-INIZCTEOSA-N 401.466 5.635 0 40 HKAB CCOc1ccccc1CNc1ccc([C@@H]2c3ccsc3CCN2C(C)=O)cc1 19520210 VGDHQLKHHSJZMP-XMMPIXPASA-N 406.551 5.253 0 40 HKAB O=C(O)c1cc(NC(=O)c2cc(Br)ccc2Cl)c(Cl)cc1Cl 20138458 PSMREKYLCJSYPN-UHFFFAOYSA-N 423.477 5.360 0 40 HKAB CCCCc1ccc(NC(=O)c2cnc3scc(-c4ccc(C)cc4)n3c2=O)cc1 20768223 BRZKBHSHBXWJTM-UHFFFAOYSA-N 417.534 5.326 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(Br)cc1 21580301 GCQXCQYLEKYGQI-UHFFFAOYSA-N 422.282 5.253 0 40 HKAB Cc1ccc(N(Cc2ccco2)C(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 21587763 LXUUONLKBHXLNO-UHFFFAOYSA-N 413.399 5.190 0 40 HKAB CN(C)c1ccc([C@@H](CNC(=O)c2cc(F)ccc2F)c2c[nH]c3ccccc23)cc1 21620448 YAPHFJZZJKLNNQ-OAQYLSRUSA-N 419.475 5.074 0 40 HKAB O=C(c1ccc(Cl)nc1)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 21841461 SPEBUOYFXWAXOM-UHFFFAOYSA-N 419.937 5.748 0 40 HKAB C[C@@H]1CCCC[C@H]1Nc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 25397586 WXIRFYHJNRISRN-YLJYHZDGSA-N 422.598 5.181 0 40 HKAB O=C(C1CCCCC1)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@@H]1c1cccs1 33389576 RERCCWDBYQQMRQ-MBISEFQLSA-N 410.608 6.513 0 40 HKAB CCCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1Cc1ccc(OC)cc1 35686389 BSJDQRRFUIEGFV-UHFFFAOYSA-N 416.525 5.444 0 40 HKAB Cc1ccc(NC(=O)[C@H](NCCc2c[nH]c3ccccc23)c2ccccc2)cc1Cl 36398644 FOYQVPLPPTUFMU-XMMPIXPASA-N 417.940 5.642 0 40 HKAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cc1F 36615920 SUVQMFCRJQFDTN-UHFFFAOYSA-N 400.457 5.306 0 40 HKAB CC[C@H](CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 38192021 KZJWDPNRJALLNS-LWINXXIXSA-N 414.718 8.025 0 40 HKAB biogenic,in-vitro CC(=O)c1cccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c1 38858324 BNFPFURNGKOZQU-INIZCTEOSA-N 405.325 5.047 0 40 HKAB Cc1oc(-c2cccs2)nc1C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 40131190 PSAMCZABXIXOSA-UHFFFAOYSA-N 424.482 5.479 0 40 HKAB NC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@@H]1c1ccc(Cl)cc1 51330111 BERCUEVWTKEGAG-SMAVKEGISA-N 400.309 5.669 0 40 HKAB CC(C)(C)C1CCC(C(=O)N2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)CC1 58393651 NMZREYVKQHQEGJ-LMDPOFIKSA-N 417.569 5.038 0 40 HKAB Cc1ccc(-c2nc(C)c(C(=O)Nc3ccc(Oc4ncccn4)cc3C)s2)o1 65492193 RBNCHIDWVZDAOO-UHFFFAOYSA-N 406.467 5.163 0 40 HKAB CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1ccc(OCc2cscn2)cc1 65592171 QZLUUFZAQKGPOM-HXUWFJFHSA-N 413.930 5.352 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc1 67245046 BMHONRULHSEIDF-UHFFFAOYSA-N 416.502 5.635 0 40 HKAB COc1cc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCCCCCC2)ccc1O 71281244 WQYUZZNEVXKRBC-LJQANCHMSA-N 401.532 5.474 0 40 HKAB COc1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC4CCCCC4)C=C3C)nc2c1 72320958 HIUWVUDZECFMFH-JTAQYXEDSA-N 409.618 5.891 0 40 HKAB biogenic,in-vitro Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CCN(C(=O)C4CCCC4)CC3)c12 72336001 XJTCTUPNNDICCP-UHFFFAOYSA-N 424.589 5.113 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H](C)Sc3ccc(C(F)(F)F)cc32)c1C 84007889 JIQFTIGLIIHFOK-SNVBAGLBSA-N 410.461 5.384 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@H](c4ccc(O)cc4)C3=C(O)C2)cc1 102732399 XZFIRAAOFSCVMF-ZHRRBRCNSA-N 402.450 5.305 0 40 HKAB COc1ccc(OC)c([C@@H]2CC3=Nc4onc(C)c4[C@H](c4ccccc4)C3=C(O)C2)c1 102735067 PYWDCZCQQKGHIC-MWTRTKDXSA-N 416.477 5.608 0 40 HKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1Cl 107031396 MGRWIGGQZFQVPX-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB O=C(N[C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F)c1ncoc1[C@H]1CCCO1 108159608 XVZMJIFRTXELJK-KBAYOESNSA-N 422.447 5.391 0 40 HKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 222878578 RHLZYZKKEAQWTQ-DEOSSOPVSA-N 405.563 6.337 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 223033327 NFLJCVPXODPYRA-MOPGFXCFSA-N 405.922 5.091 0 40 HKAB O=C(Nc1ccccc1Cl)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223973079 YSSCGWRAYLFJMX-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB Cc1cc(Br)cnc1NC(=S)NCC1(c2ccc(F)cc2)CCCC1 223982274 VVDASQOLRYTNRN-UHFFFAOYSA-N 422.367 5.090 0 40 HKAB COc1ccc(/C=C(/C(=O)NCc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 224069750 CPCIBCRSXOICOK-PXLXIMEGSA-N 411.423 5.571 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccc(Cl)c(C)c1 224540541 PLHOUFJQNDISJA-UHFFFAOYSA-N 423.940 5.865 0 40 HKAB O=C(c1ccccc1-c1ncc(-c2cccc(Br)c2)o1)N1CCCCC1 224954189 GJGCLKNZJUUQLG-UHFFFAOYSA-N 411.299 5.397 0 40 HKAB S=C(NCCSCc1ccc(Cl)cc1)Nc1cccc(Br)c1 225301874 FONWWYTYOVLRPA-UHFFFAOYSA-N 415.809 5.322 0 40 HKAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCc1ccc(Cl)c(Cl)c1 225340676 OZHNCQOPFYJSRG-UHFFFAOYSA-N 424.715 5.288 0 40 HKAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1SCc1ccc(Cl)cc1 225597550 DJLMICPDLTYSCM-UHFFFAOYSA-N 421.946 5.881 0 40 HKAB COC(=O)c1cc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)ccc1Cl 225678909 ZUHJESINDOBAIX-QGZVFWFLSA-N 418.946 5.024 0 40 HKAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1ccc(Oc2ccccc2)cc1 225734934 AQWAAORJVBUOOE-UHFFFAOYSA-N 404.853 5.086 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCCC2)ccc1OC(C)C 225758641 VXBYJVXWFDGKKP-UHFFFAOYSA-N 423.553 5.800 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)C(C4(C)OCCO4)=CC[C@H]32)C1 253612348 JYRJWVYVMVQZQS-PGHFCAIBSA-N 400.559 5.180 0 40 HKAB CCN=c1cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)O)c-2cc1C 257001247 ZTKQHJHANLVEBM-UHFFFAOYSA-N 414.505 5.872 0 40 HKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1cccc(Cl)c1)C[C@]2(C)NC(=O)Cc1ccccc1 257226004 FITCBKPNCIOQSU-YXAWXADKSA-N 411.973 5.724 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1C(C)C 260941214 RRSWGAIHAOTNGJ-FPOVZHCZSA-N 422.613 5.850 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2cccc(Cl)c2)cc1C 408697400 HAECLEGESCPKQG-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1cccc2ccccc12 408970211 CPWADQBHGOQWPK-UHFFFAOYSA-N 418.880 5.363 0 40 HKAB COc1cc(CNc2ccccc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409262007 GYFQWLUINPVUQJ-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB O=C(CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)Nc1cccc2ccccc12 409355619 DKALDSWYLALDDV-XDHOZWIPSA-N 422.893 5.168 0 40 HKAB CCCOc1ccc(OC)cc1-c1ccc(C(=O)O)c(CCc2ccc(C)cc2)n1 585265984 WXKBVCXZIBODAG-UHFFFAOYSA-N 405.494 5.338 0 40 HKAB COc1ccc2cc([C@@H]3Nc4ccccc4C(=O)N3c3ccccc3)c(Cl)nc2c1 717648 RHGIAUDSHVHYIO-HSZRJFAPSA-N 415.880 5.668 0 40 HKAB Cc1cccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c1C 919437 HTLWLZKOLJPTLT-WMLDXEAASA-N 404.392 5.006 0 40 HKAB CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2F)c2ccccc2)C[C@@H]1C 974768 OGNCBBCPTNZPKR-XDHUDOTRSA-N 402.469 5.359 0 40 HKAB O=C1S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N1c1cccc(Cl)c1 1011722 QVOQMTMVDHSFFM-MLPAPPSSSA-N 400.670 5.593 0 40 HKAB CC[C@@H](C)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc3c(c2)OCO3)cc1 1307154 GKHUABMPSKPWAG-VOIUYBSRSA-N 400.478 5.700 0 40 HKAB O=C1c2ccccc2C(=O)N1CCc1csc(Nc2ccc(Cl)c(Cl)c2)n1 1384557 KQYLISUHEDQJSP-UHFFFAOYSA-N 418.305 5.032 0 40 HKAB COc1ccc2c(c1)-c1c(ss/c1=N\c1cc(Cl)ccc1Cl)C(C)(C)N2 2053532 LXYAETBZFMFWOT-PYCFMQQDSA-N 423.390 6.685 0 40 HKAB CC(C)Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)c3ccccc3n2)cc1 2105327 MECRUBAGIPAKPC-FQEVSTJZSA-N 408.545 6.591 0 40 HKAB CCOC(=O)c1c(CSc2ccccc2)n(Cc2ccccc2)c2ccc(O)cc12 2206803 PZJKXCKFGUXUKG-UHFFFAOYSA-N 417.530 5.864 0 40 HKAB O=C(O[C@H](Sc1nc2ccccc2s1)c1ccccc1)c1ccc(Cl)cc1 2275626 HESRHFQWBCKQES-HXUWFJFHSA-N 411.935 6.598 0 40 HKAB Cc1ccc(C(=O)COc2cc(C)cc3oc(=O)c(Cc4ccccc4)c(C)c23)cc1 2296797 XDIDRMDCJNWUHI-UHFFFAOYSA-N 412.485 5.571 0 40 HKAB Cc1ccc(COc2ccc(-c3nc(N)ncc3-c3ccc(Cl)cc3)c(O)c2)cc1 2441261 UUAZYHNSNQMGAN-UHFFFAOYSA-N 417.896 5.639 0 40 HKAB biogenic Cc1ccc(N(CC(=O)Nc2cc(Cl)ccc2C)C2=NC(C)(C)CS2)cc1 2633185 HRWDWVIRPZLLFV-UHFFFAOYSA-N 401.963 5.283 0 40 HKAB C[C@@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@H](c1cccs1)N1CCCC1 3265085 SNXQPXANNGJLPP-KZULUSFZSA-N 422.978 5.711 0 40 HKAB FC(F)Sc1ccc(NC(=S)NC[C@H](c2ccco2)N2CCCCC2)cc1 3339362 VENJVNJVJCLACW-MRXNPFEDSA-N 411.543 5.108 0 40 HKAB Cc1ccc([C@@]2(CCNCc3ccc(OC(C)C)cc3)CCO[C@@H](C(C)C)C2)cc1 4043147 XCCHMKUUKILYOF-SXOMAYOGSA-N 409.614 6.035 0 40 HKAB biogenic CC1(C)C[C@]23Oc4ccccc4N2C(c2ccccc2)=C[C@@H](c2ccccc2)[C@@H]3CO1 4729516 FVYWBKDBHKJWES-UXWDXCIHSA-N 409.529 6.235 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3C[C@H](C(=O)O)[C@@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 5029307 ZXBHRPYRWXWPFH-APXYNEQQSA-N 420.634 6.483 0 40 HKAB Cc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(Cl)cc2)cc1 5223430 IIZIRRJPSGCEAR-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccc(Br)c3)o2)cc1 5262657 XHCGTAZKZCZAHK-GFCCVEGCSA-N 403.301 5.171 0 40 HKAB CC(C)OC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CC[C@@H](C)C2 5528145 TUZAPTKWDJZMBJ-OAHLLOKOSA-N 413.583 5.988 0 40 HKAB CCOc1ccc(Oc2nc3cc(Cl)c(Cl)cc3nc2C(F)(F)F)cc1 5653320 ZHNRYBUODUCNNC-UHFFFAOYSA-N 403.187 6.146 0 40 HKAB c1ccc2c(c1)N=C(c1cccc3ccccc13)C[C@@H](c1cccc3ccccc13)S2 5890776 DWAZTJAWVKZQFO-LJAQVGFWSA-N 415.561 8.351 0 40 HKAB Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc3c(c1)OCO3)O2 5946719 QYAZPZSJUGNPES-AUSIDOKSSA-N 404.853 5.311 0 40 HKAB Cc1cc(C)c2nc(NC(=O)c3cccc4c(Br)cccc34)sc2c1 6418964 BGYATGIVEXTRKQ-UHFFFAOYSA-N 411.324 6.081 0 40 HKAB C[C@@H]1CSC(N(C(=O)c2cc(F)c(F)cc2Cl)c2ccc(Cl)cc2)=N1 6579268 JOYMAQYHYVLRGE-SECBINFHSA-N 401.265 5.410 0 40 HKAB COc1ccc(-c2nnc(SCc3cc(=O)oc4cc(C)ccc34)n2C(C)C)cc1 6887067 PAOJODAYOWGQTQ-UHFFFAOYSA-N 421.522 5.242 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nnc(NC2CC2)s1)c1ccccc1 7577561 IQKZYSSYRKGJPU-IBGZPJMESA-N 406.536 5.310 0 40 HKAB C[C@H](NC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1 8470847 TZNGBEUIRZITCZ-NRFANRHFSA-N 420.512 6.156 0 40 HKAB COc1ccccc1-n1nc(-c2ccccc2)c2cnc3cc(C(F)(F)F)ccc3c21 8595124 RWCVMEKJBKJFJD-UHFFFAOYSA-N 419.406 6.268 0 40 HKAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc12 9253482 OFVJELILVMCORQ-QGZVFWFLSA-N 424.595 5.649 0 40 HKAB CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 9260656 HSVKPKREDAZLRR-LJQANCHMSA-N 418.547 5.360 0 40 HKAB O=C(CSc1nncn1CCc1cccs1)c1ccc2c(c1)-c1ccccc1C2 11105850 NPNNQGXHAVUYBQ-UHFFFAOYSA-N 417.559 5.129 0 40 HKAB O=C(CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc12)OCc1ccccc1 12716346 LHSQNPWTZBODHS-UHFFFAOYSA-N 422.456 5.411 0 40 HKAB COc1cccc(-c2cc(COC(=O)C3c4ccccc4Oc4ccccc43)no2)c1 12726238 ZJYQVDGCNYNHQW-UHFFFAOYSA-N 413.429 5.331 0 40 HKAB Cc1nc(CSc2ccc(C(=O)N[C@@H]3CCC[C@H](C(F)(F)F)C3)cc2)cs1 12730470 RQMIKVPXVFOAEP-LSDHHAIUSA-N 414.518 5.595 0 40 HKAB CCN(CC(=O)Nc1c(F)cccc1F)Cc1csc(-c2ccc(Cl)cc2)n1 12751332 DGZVNAZOEQFJOT-UHFFFAOYSA-N 421.900 5.202 0 40 HKAB Oc1nc(CN2CCc3sccc3[C@H]2c2ccccc2)nc2ccc(Cl)cc12 12751577 OCUPROJAEOWSEY-OAQYLSRUSA-N 407.926 5.198 0 40 HKAB Cc1csc(N(C(=O)COc2ccc(Br)cc2F)c2ccccc2)n1 13018038 YRKQYPPWBLKWDX-UHFFFAOYSA-N 421.291 5.097 0 40 HKAB C/C=C(\C)[C@@H](O)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1oc(OC)c(C)c(=O)c1C 13307927 PFVSUJLJFXJPMF-BXXOMZBZSA-N 400.559 5.610 0 40 HKAB biogenic,in-vitro O=C(Nc1cc(Cl)ccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 14426981 ZYZUHMIDEIOTDG-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB CCc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2)cc1 16741862 MJXDYQOCCHTMFH-DEOSSOPVSA-N 409.485 5.409 0 40 HKAB Cc1cc(C)c2nc(N(CCCN(C)C)C(=O)c3ccc4c(c3)CCCC4)sc2c1 17010430 CKFKBFSZCBLKGT-UHFFFAOYSA-N 421.610 5.390 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3sc(-c4ccccn4)nc3C)sc2C)cc1 19201081 XAJFQJJALRTNFV-UHFFFAOYSA-N 422.535 5.206 0 40 HKAB C[C@@H](Sc1ccccc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 20046355 VIRLSPAGTJMTRV-GOSISDBHSA-N 417.574 6.334 0 40 HKAB O=C(CSCc1cccc(Br)c1)N1CCC(Cc2ccccc2)CC1 20238339 YPRKOCAJIHLUMW-UHFFFAOYSA-N 418.400 5.164 0 40 HKAB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(O[C@H](C)CC)cc4)cc3n2)cc1 20610186 DADXHRLUDQQNHW-QGZVFWFLSA-N 414.509 5.413 0 40 HKAB O=C(Nc1ncc(Cl)cc1Cl)c1cc(-c2cccs2)nc2ccccc12 27976646 MHECIWUETXMHRP-UHFFFAOYSA-N 400.290 5.917 0 40 HKAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1cc(Cl)c(Cl)cc1Cl 40051019 CSOIPFBUHUNBPB-UHFFFAOYSA-N 402.690 5.330 0 40 HKAB O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1c(F)cccc1Cl 58159992 WAUJIPHMAHDHTA-UHFFFAOYSA-N 415.704 6.086 0 40 HKAB Cc1c(Br)c2ccccc2n1CC(=O)N1CCC[C@@H]1c1ccsc1 58406650 IIWUHJCRKNXDNZ-MRXNPFEDSA-N 403.345 5.137 0 40 HKAB Cc1csc(Sc2ccc(NC(=O)N3CCC[C@H]3c3cccc(F)c3)cc2)n1 63162627 ODCBSMQSEYBQAM-IBGZPJMESA-N 413.543 6.111 0 40 HKAB CCOc1ccc(C(=O)Cn2nc(-c3ccc(CC(C)C)cc3)ccc2=O)cc1Cl 67206896 OVPRESUNEZDTPG-UHFFFAOYSA-N 424.928 5.044 0 40 HKAB Cc1ccc(Cn2c(SCc3ccccc3Cl)nc3ccccc3c2=O)cc1 67259467 KEWZSLZNXFVTTG-UHFFFAOYSA-N 406.938 5.699 0 40 HKAB CC(C)Oc1ccc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)cc1 67288303 BMQDMGOJZWVVCL-UHFFFAOYSA-N 407.489 5.009 0 40 HKAB COc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1C 67297066 GJFDJRNJZGPDPV-PNHLSOANSA-N 418.880 5.888 0 40 HKAB CC(C)N1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215703 OUSAIQCYNGJIPJ-NRFANRHFSA-N 401.595 6.091 0 40 HKAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc3[nH]ccc3c2)C12CCCC2 72324819 ZESYYKVHASWWGJ-UZUQRXQVSA-N 415.537 5.457 0 40 HKAB biogenic CC(=O)Nc1cccc(NC(=O)C(C)(C)Oc2ccc([C@@H]3CC3(Cl)Cl)cc2)c1 72402821 LJIRKWKEAQRXKR-SFHVURJKSA-N 421.324 5.102 0 40 HKAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl 222776154 NXZQASRBMTYHGH-OALUTQOASA-N 417.365 5.172 0 40 HKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1C1CCCCC1 222916133 RLSJZFRJIZYWLH-XZOQPEGZSA-N 410.631 5.634 0 40 HKAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(CSc2ccccc2)cc1 223581231 JYKBDQOLUNLVOY-UHFFFAOYSA-N 413.542 5.941 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1CSc1ccccc1 224652012 UKSDWIXVMWZDQS-UHFFFAOYSA-N 411.954 6.592 0 40 HKAB CCCCOCc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1OCC 224732665 JGQQJJNBQIAMDI-UHFFFAOYSA-N 417.549 5.921 0 40 HKAB CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc2ccccc2c1 225056950 VWHOGNOJRCLCLI-UHFFFAOYSA-N 413.848 5.727 0 40 HKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C 225128984 AESQHFSMOGFTSH-VWLOTQADSA-N 420.597 5.102 0 40 HKAB O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2csc(-c3ccncc3)n2)cc1 225336691 GGRCUGXLJCGKLO-UHFFFAOYSA-N 421.909 5.543 0 40 HKAB CCOC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1Cl 225407477 GHLPKYFJHOFHCG-AWEZNQCLSA-N 418.990 5.862 0 40 HKAB Cc1ccc([C@H](NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)C(C)C)c(C)c1 225766138 YXKVHXQAVNFNAQ-HSZRJFAPSA-N 409.599 5.422 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3cc(Cl)c(C)cc3N)o2)c(Br)c1 226348433 UXQYHTYPENQENO-UHFFFAOYSA-N 419.706 5.814 0 40 HKAB Cc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2ccccc2Cl)o1 226756079 WBUNFQBTTJNPOL-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB C[C@H](CCN1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 248243689 PLPUHLFQJZSMBX-JCTONOIOSA-N 407.602 5.191 0 40 HKAB CCOc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 408814671 PXIGGLFFQDTSOM-QMJJWYKPSA-N 421.586 6.139 0 40 HKAB CC(C)c1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 408817485 VSYSPDGKNMVMKX-KQXXUEMGSA-N 419.614 6.864 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1ccc3c4c(cccc14)CC3)[C@H]1Cc3ccccc3[C@@H]21 408997472 GRKBUWMOWVADMQ-DOEKTCAHSA-N 417.508 6.108 0 40 HKAB CCCCN1C(=O)S/C(=C\c2cn(Cc3cccc(F)c3)c3ccccc23)C1=O 409060304 PKVDZWFURGXUQI-BKUYFWCQSA-N 408.498 5.665 0 40 HKAB COc1ccc(Br)cc1/C=C1/SC(=O)N(CC2CCCCC2)C1=O 409148003 XPPASLFFUJDWRG-MHWRWJLKSA-N 410.333 5.074 0 40 HKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(C)cc2)nc1-c1cc(C)ccc1C 409204326 FJVFDZYOCUSIAS-UHFFFAOYSA-N 420.578 6.289 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccs4)c3)nc2c1 1262840 GXBSBIRSJIJOCK-CYBMUJFWSA-N 410.926 6.976 0 40 HKAB Cc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1 1363399 SGIDAZLUGMLNSO-HXUWFJFHSA-N 403.526 5.362 0 40 HKAB Clc1cccc(-n2cc(-c3ccccc3)c3c(NC[C@@H]4CCCO4)ncnc32)c1 1447716 WBNQAKZOYCMZDE-IBGZPJMESA-N 404.901 5.332 0 40 HKAB COC(=O)CN1C(c2ccc(OC)cc2)=Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 1794289 OMIWVZGQMXEZLZ-QHCPKHFHSA-N 420.896 5.005 0 40 HKAB COc1ccc(CN(CC[C@@H](c2ccc(OC)cc2)C(C)C)C(=O)c2ccco2)cc1 1832903 YUCSSWJWNAQYBE-XMMPIXPASA-N 421.537 5.769 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc(C(=O)Nc3cccc4ccccc34)cc2)c1 2050779 NJEWHMLPBWPFHM-UHFFFAOYSA-N 424.500 6.133 0 40 HKAB Cc1cc(C)c2oc(-c3cc(NC(=O)c4ccccc4Cl)ccc3Cl)nc2c1 2050827 LNTBITOJWBPRJY-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB Cn1nc(C(=O)Nc2cccc3ccccc23)cc1C(=O)Nc1cccc2ccccc12 2302807 AYNOAFKHSPVKCV-UHFFFAOYSA-N 420.472 5.231 0 40 HKAB CCc1ccc(-n2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)cc1 2447782 GQVKYNYVGNGCJA-UHFFFAOYSA-N 422.488 5.075 0 40 HKAB FC(F)(F)c1cc(-c2ccc(Cl)s2)nc2c1c(C1CC1)nn2-c1ccccc1 2741146 XHCHVTRXRCPJKY-UHFFFAOYSA-N 419.859 6.699 0 40 HKAB CCCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)cc1 3204142 DUQGIZTXMSQTHD-UHFFFAOYSA-N 401.528 5.235 0 40 HKAB CC(C)(C)c1cc(C(=O)OCC(=O)N2CCCc3ccccc32)cc(C(C)(C)C)c1 3216028 KTOGZNIDCHIVQA-UHFFFAOYSA-N 407.554 5.418 0 40 HKAB COc1cccc(/C=C(/C(=O)OCC(=O)c2cc(C)ccc2C)c2ccccc2)c1 3328903 FKSVILGLSVUJCB-LFVJCYFKSA-N 400.474 5.279 0 40 HKAB c1ccc(CSc2nc(NC3CCCCC3)c3sc4ccccc4c3n2)cc1 4092635 LZTMTOZLQCOVMI-UHFFFAOYSA-N 405.592 6.881 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 4129563 URQLURAEELJQRA-UHFFFAOYSA-N 400.481 6.821 0 40 HKAB CCc1cc2cc(C)cc(C)c2nc1SCC(=O)Nc1ccc(OC)cc1OC 4849494 YXOGYQJORWJGMT-UHFFFAOYSA-N 410.539 5.162 0 40 HKAB O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)c1c[nH]c2ccccc12 4925622 WOAMAUVXMIORHE-UHFFFAOYSA-N 406.511 5.500 0 40 HKAB COc1cc(-c2nc3cc(Cl)ccc3n2Cc2ccccc2)cc(OC)c1OC 5267018 CESPABHTQQDRCR-UHFFFAOYSA-N 408.885 5.431 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)[C@@H](O)CC(C)(C)C4)ccc21 5324769 LTTGIUXNLOBRQB-NRFANRHFSA-N 416.521 5.974 0 40 HKAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)Nc1cccc(Cl)c1 5346362 PTWCEXZOSFOXIW-UHFFFAOYSA-N 405.837 5.131 0 40 HKAB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccc(Cl)cc3)n2)cc1 5577045 SUXVWROUBUZGDN-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc(-c3ccccc3)cs2)cc1 6040850 GBYLVABADFVOHU-DEOSSOPVSA-N 411.530 6.174 0 40 HKAB Cc1ccc(NC(=O)CSc2cccc(C(F)(F)F)c2)c(Br)c1 6507310 ZCDVYTPNDNFXKP-UHFFFAOYSA-N 404.251 5.507 0 40 HKAB CCOC(=O)c1sc2nc(C)nc(S[C@@H](C)c3ccccc3Cl)c2c1C 6787441 XECFQPBVIQNCDQ-NSHDSACASA-N 406.960 5.992 0 40 HKAB O=C(CCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1)c1ccc(Cl)s1 8105559 DTWYSHFYQLVZOP-ZDUSSCGKSA-N 418.971 5.380 0 40 HKAB O=C1N[C@H](c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)Nc2ccccc21 8156067 ABLBSNHKLFZPGO-HSZRJFAPSA-N 414.896 5.106 0 40 HKAB Cc1c(Cl)cccc1NC(=O)COc1ccc(C(=S)N2CCC(C)CC2)cc1 8278364 KQBJOTNBFQRYII-UHFFFAOYSA-N 416.974 5.073 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)c(C)c1 8368941 VYZDVSJDWVAOBF-UHFFFAOYSA-N 401.944 5.207 0 40 HKAB Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 8428962 STTOHAFPMTYTMQ-UHFFFAOYSA-N 420.465 5.164 0 40 HKAB Cc1nc(-c2cccc(NC(=O)CN(Cc3ccco3)Cc3cccs3)c2)cs1 8772341 QPKLIAMALIKACJ-UHFFFAOYSA-N 423.563 5.414 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1sc2cc(Cl)cc(Cl)c2c1Cl 8892228 ATNFAANYFLGTKV-UHFFFAOYSA-N 424.658 7.133 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cc3)c2C)cc1 10334290 CBMVLVPTBCBJMV-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc(-c2c(NC(=O)c3ccc(Cl)cc3)oc3ccc(Cl)cc3c2=O)cc1 11691981 JMNYHFDLLFWXOX-UHFFFAOYSA-N 424.283 6.328 0 40 HKAB C[C@H](NC(=O)c1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 12401938 HMWLFBYVOJPLTH-KRWDZBQOSA-N 406.913 5.516 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CCc1nnc(-c2cccc(C(F)(F)F)c2)o1 12921076 DCHYCSNEFVMUGD-UHFFFAOYSA-N 409.795 5.289 0 40 HKAB C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2)[C@H](C)CN1C(=O)Nc1ccc(Cl)cc1 14007367 UZSMXJPFPIHMDY-OKILXGFUSA-N 421.328 5.152 0 40 HKAB Cc1cccc(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)cc3)c3ccccc23)c1C 16778061 NXWNLYCAGRZQKH-UHFFFAOYSA-N 417.896 5.435 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 17094127 MNEODEUAXJJZKD-UHFFFAOYSA-N 424.859 6.083 0 40 HKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCSCc1c(F)cccc1Cl 20108088 VSPKRRHKXDVOAC-LJQANCHMSA-N 409.954 5.303 0 40 HKAB COc1cc(NC(=O)c2cccc3c(Cl)cccc23)ccc1-c1ccc(CO)o1 20139023 XMCDDBJRCUZJPK-UHFFFAOYSA-N 407.853 5.506 0 40 HKAB O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)c1ccc2ccccc2c1 24032142 ZTBSVPRAVOVEFN-RUZDIDTESA-N 412.558 5.431 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)N(Cc3cccc(Cl)c3)c3ccccn3)oc2c1 28287785 VQZAEVJQHAQUSM-UHFFFAOYSA-N 404.897 6.253 0 40 HKAB Cc1ccc(-c2noc(COc3ccccc3C(=O)N[C@@H](C)c3ccccc3)n2)cc1 32579121 HRYBUGLSWPXKIX-SFHVURJKSA-N 413.477 5.115 0 40 HKAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 32827263 ZWWDMSPNEIHWRL-DEOSSOPVSA-N 414.505 5.233 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)ccc1OCc1ccc(Cl)cc1 33317130 BZQWBDCOWSGLKT-XDHOZWIPSA-N 417.914 5.374 0 40 HKAB O=C(COc1cccc(-c2noc(-c3ccccc3Cl)n2)c1)Nc1ccccc1 33327288 ZBHWFOXFCFVKTC-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2ncn(C3CCCCC3)c(=O)c12 35672408 VJFQDNYNBVHTPV-UHFFFAOYSA-N 401.919 5.177 0 40 HKAB COc1ccc(OC)c([C@H]2CC(O)=Nc3c2ncn3-c2cccc(C(F)(F)F)c2)c1 36359250 UWNFLWBARUVLIT-MRXNPFEDSA-N 417.387 5.032 0 40 HKAB CCOc1c(Br)cc(CNc2ccccc2CC)cc1Br 37213350 FDNLUWQYFCDZRW-UHFFFAOYSA-N 413.153 5.785 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38849440 UYMLDHWVRZHGQF-MRXNPFEDSA-N 407.341 5.161 0 40 HKAB COc1ccccc1CN(CCCn1ccnc1)Cc1ccc(Cl)c(Cl)c1 43277797 BWIWNPBUQAWNIU-UHFFFAOYSA-N 404.341 5.291 0 40 HKAB Cc1noc2nc(-c3ccco3)cc(C(=O)N(C)[C@@H](c3ccccc3)c3ccccn3)c12 48303670 OFSWKXMRWLNFCC-QHCPKHFHSA-N 424.460 5.048 0 40 HKAB Nc1c(-c2nc(-c3ccccc3)cs2)nnn1-c1ccc(Oc2ccccc2)cc1 49421761 OXOMLGIBNVLZRC-UHFFFAOYSA-N 411.490 5.432 0 40 HKAB CC(C)(C)c1nc2cc(NC(=O)c3cnn(C(C)(C)C)c3C(F)(F)F)ccc2o1 56909202 UZLKMKIABCBDTO-UHFFFAOYSA-N 408.424 5.348 0 40 HKAB O=C(c1cccc(C(F)(F)F)c1)N1CCC(Cn2ccnc2-c2ccccc2)CC1 62130215 ZXYWYKBZNGXPBH-UHFFFAOYSA-N 413.443 5.121 0 40 HKAB Cc1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)cc1NC(=O)c1ccccc1F 71818187 PBPLKMJTXXISDX-HSZRJFAPSA-N 408.517 5.571 0 40 HKAB Cc1ccc(C(=O)N2C[C@@H](C)N(C(=O)c3ccc(C)c(F)c3)c3ccccc32)cc1F 72307993 HWJKQFDHSVWPAM-QGZVFWFLSA-N 420.459 5.277 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCc1cc2ccccc2[nH]1 89526021 ABJFTIQXFLVAFS-UHFFFAOYSA-N 414.292 5.411 0 40 HKAB COc1ccccc1CNC(=O)C[C@@H](c1ccsc1)c1c[nH]c2cccc(OC)c12 95478306 VMNZKKHHWCNHDV-SFHVURJKSA-N 420.534 5.085 0 40 HKAB Cc1ccc(Cn2cc(CN[C@@H](C)c3ncc(C)o3)c(-c3ccc(C)cc3)n2)cc1 96003617 GKDQAAOBGGXCNV-FQEVSTJZSA-N 400.526 5.362 0 40 HKAB CCOc1ccccc1CN1[C@@H]2CC[C@@H]1c1cnc3cc(-c4cccc(C)c4)nn3c1C2 100487478 MJWHENKPTXCOQS-ZJSXRUAMSA-N 424.548 5.365 0 40 HKAB O=C(NCc1cccnc1)c1ccc2c(c1)[C@H]1[C@H]([C@@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 101283266 HSJXOMZEPTVVQC-ZZQRXJRJSA-N 409.533 5.308 0 40 HKAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccc(F)cc1 195528904 YVTJBQMCEPLZNF-XSQPHRGYSA-N 404.462 5.898 0 40 HKAB CC[C@@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 222696209 POAMWWNQAAIILR-GOSISDBHSA-N 407.963 5.497 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1cccc2ccccc12 223571200 YYZKIBSDAARXAK-HSZRJFAPSA-N 405.538 5.490 0 40 HKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 223764225 GCQLEUMUGXSCQD-WOJBJXKFSA-N 401.934 5.696 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3Cl)c2)cc1 224135505 MDGBSJDUOXZCBU-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB CCC1(CC)C[C@H](NC(=O)CSCc2ccc(Cl)cc2F)c2ccccc2O1 225199376 KTNOKCSFMWNACN-IBGZPJMESA-N 421.965 5.911 0 40 HKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)CCc2ccc(Cl)cc2)c1 225310892 XSZZDAZBTQMGPT-UHFFFAOYSA-N 416.304 6.366 0 40 HKAB Cc1ccc(CNC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 225311510 QZFKQAHHFCEGBC-UHFFFAOYSA-N 416.590 6.010 0 40 HKAB CC[C@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C 225581133 GFYNBLWZOAPIAG-SFHVURJKSA-N 415.961 5.821 0 40 HKAB C[C@@H]1O[C@@H]2c3cc(CCC(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(Cl)cc1 257220278 DKFXBMWBWAGQJV-VZWKMPHESA-N 414.929 5.778 0 40 HKAB Oc1nc(-c2ccc(OCc3ccccc3)cc2)nc2sc3c(c12)CCCCCC3 408990550 OAAIHRKBWGPUBA-UHFFFAOYSA-N 416.546 6.302 0 40 HKAB Cc1ccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)c(C)c1 409111525 DDUMDDXAEVXONG-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 409195527 WDLSWLBICOBQMK-MBNTZHJCSA-N 422.333 6.412 0 40 HKAB CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2cccc(Cl)c2)c2ccccc21 832672 TVDYOGKGVPLVES-BXKMTCNYSA-N 418.924 5.873 0 40 HKAB CCOC(=O)c1c(NC(=O)CC2c3ccccc3Oc3ccccc32)sc(C)c1C 834738 NHXFSKKDSFMZPX-UHFFFAOYSA-N 421.518 5.808 0 40 HKAB COc1ccccc1C(=O)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 950736 VMWSKJRTNRXLHN-UHFFFAOYSA-N 422.820 5.467 0 40 HKAB COc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3c(C)cc(C)cc23)cc1 993129 BLOBKNSVOFFXFM-UHFFFAOYSA-N 412.489 5.788 0 40 HKAB CCCc1nc(SCC(=O)c2ccc3c(c2)OCCO3)c2c(C)c(C)sc2n1 1372217 JKFVXGQPQINCND-UHFFFAOYSA-N 414.552 5.007 0 40 HKAB COc1ccccc1-c1cc(C(F)(F)F)n(-c2nc(-c3ccc(F)cc3)cs2)n1 1415758 ZVVKMXKQZXUQJU-UHFFFAOYSA-N 419.403 5.829 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)cc4)c3)nc2c1 1862082 MWIJZNJUSHXIMJ-INIZCTEOSA-N 418.924 7.222 0 40 HKAB CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1OCC 1904455 QEJHLUNYRKRBTM-FMIVXFBMSA-N 422.550 5.876 0 40 HKAB Nc1c(C(=O)Nc2cccc(Cl)c2Cl)sc2nc(-c3ccco3)ccc12 2228694 FLHCPGIGKQGMGP-UHFFFAOYSA-N 404.278 5.698 0 40 HKAB COc1ccc(-c2c3c4n(c(-c5ccc(Cl)cc5)cn4c2C(C)=O)CCCC3)cc1 2339240 YXIBHDILXFPEJD-UHFFFAOYSA-N 418.924 6.276 0 40 HKAB CCCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C)C3)cc1 2753340 LNDUAGWPDKUOCW-AWEZNQCLSA-N 401.528 5.091 0 40 HKAB Cc1cccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCC4)c1 2924973 IYVLUVBYIRBIMO-UHFFFAOYSA-N 405.548 5.656 0 40 HKAB O=C(Nc1ccc(Sc2cccc(C(F)(F)F)c2)cc1)C(Cl)(Cl)Cl 3111108 AFNIQADLSWRIGK-UHFFFAOYSA-N 414.663 6.165 0 40 HKAB CCOc1ccc2oc(C(=O)OCc3ccc(Br)cc3F)c(C)c2c1 3285291 ZATQALDLVLULOZ-UHFFFAOYSA-N 407.235 5.399 0 40 HKAB Fc1cccc(-n2cc(-c3ccccc3)c3c(SCc4ccccc4)ncnc32)c1 3658681 UQGUMFRMNWXIGJ-UHFFFAOYSA-N 411.505 6.519 0 40 HKAB CCc1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@@H]2c2c[nH]c3ccccc23)cc1 3672756 FNPPGVQLLHAKEW-AREMUKBSSA-N 408.505 5.658 0 40 HKAB CCCCOC(=O)NC(=O)N(c1ccc(C)cc1)P(=O)(OC(C)C)OC(C)C 4013231 KBRGDNVLDCKKMF-UHFFFAOYSA-N 414.439 5.406 0 40 HKAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1Cl 4684671 WCIXLGWUBXLBFP-SFHVURJKSA-N 402.281 5.195 0 40 HKAB Cc1nn2c(c1-c1ccccc1)N=C(c1ccc3ccccc3c1)C[C@H]2c1ccccc1 4777023 XOOWYWCIEPSYFI-MHZLTWQESA-N 413.524 7.126 0 40 HKAB CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 5092701 ULXVZOXVDHHWGV-HXUWFJFHSA-N 416.352 5.349 0 40 HKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)c(C)c1 5235890 MIJYMXXLBRTSSU-HSZRJFAPSA-N 423.560 5.839 0 40 HKAB Cc1nnc(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1-c1ccccc1 5939342 VUYPTSWRVPSUNF-NRFANRHFSA-N 418.497 5.187 0 40 HKAB CCCCOc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 5946331 HRUNKZCJWMLQGH-UHFFFAOYSA-N 420.475 6.127 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)o2)cc1C 6301378 KWPKNNRWRPNNJF-UHFFFAOYSA-N 408.910 6.593 0 40 HKAB COc1cc(OC)c(N[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1Cl 6542259 SFDHXWYONPYGNM-INIZCTEOSA-N 424.928 5.063 0 40 HKAB CCOc1ccc2nc(SCC(=O)N(CC)c3cccc4ccccc34)[nH]c2c1 8012871 DYJQEJRMZUAHDS-UHFFFAOYSA-N 405.523 5.260 0 40 HKAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccccc1Cl 8255848 MRVRCRVHUUNSMV-LLVKDONJSA-N 404.948 5.114 0 40 HKAB CC[C@@H](C)NCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 8325906 ZNFFRGNCESJGAR-GFCCVEGCSA-N 402.749 6.123 0 40 HKAB Cc1ccc(C)n1N(Cc1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1 8475541 NBIXAMQHWGNKBT-UHFFFAOYSA-N 417.734 5.499 0 40 HKAB CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccs2)cc1 9461148 BEZFCVVSJGVDJM-UHFFFAOYSA-N 418.518 5.144 0 40 HKAB COc1ccc(SCC(=O)Nc2sccc2-c2nc3ccccc3s2)cc1 10695431 KPSUKMUNZNTOHW-UHFFFAOYSA-N 412.561 5.764 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc2ncsc2c1)c1ccccc1 12785026 QVQXNAXSVWWMIA-HNNXBMFYSA-N 401.491 5.040 0 40 HKAB O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1c(F)cccc1Cl 12818063 PTFRESWDIPAKSC-UHFFFAOYSA-N 405.803 5.924 0 40 HKAB O=C(Cc1csc(-c2ccsc2)n1)N[C@H]1CCSc2ccc(Cl)cc21 12944184 SBIODLVGENJWEL-HNNXBMFYSA-N 406.985 5.421 0 40 HKAB CCCCCCSc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 13284486 XEHLOWNVCGZGDX-UHFFFAOYSA-N 401.601 6.072 0 40 HKAB CC[C@@H](C)C(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccco2)c2ccccc21 13592694 NRNRYUUUBITFNB-PWHSHALESA-N 416.521 5.839 0 40 HKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C 14069830 CITDGYDHASOVTL-UHFFFAOYSA-N 421.353 5.082 0 40 HKAB CC(=O)c1ccc(OCCCC(=O)Nc2nc(-c3cc(C)sc3C)cs2)cc1 14201845 IYPCTKGFAIKTSS-UHFFFAOYSA-N 414.552 5.489 0 40 HKAB COc1ccccc1/C=C/CN1CCC(c2cc(C(F)F)c3c(C)noc3n2)CC1 19564973 JARRRHOZSUBPFE-FNORWQNLSA-N 413.468 5.370 0 40 HKAB O=C1S/C(=C/c2ccc(-c3ccccc3Cl)o2)C(=O)N1CN1CCCCC1 19911718 PEPBJCHRMAGCDK-LDADJPATSA-N 402.903 5.080 0 40 HKAB Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 20043037 WUIPTYVCIGOPPY-CPJSRVTESA-N 401.550 5.966 0 40 HKAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(OCC(C)C)cc1 20610962 RLDNLQGNVQBBNT-UHFFFAOYSA-N 400.482 5.016 0 40 HKAB CCN(C(=O)c1cccc(OC)c1)[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27993036 NNLVYGSAQRIDLM-VWLOTQADSA-N 414.505 5.437 0 40 HKAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 30943720 WCOYJJKWPRFBFQ-XLIONFOSSA-N 419.396 5.343 0 40 HKAB COc1cccc(C(=O)Nc2ccc(-c3nc(-c4ccc(Cl)cc4)no3)cc2)c1 32623355 RTABNOITHRIPCH-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB Cc1ccc(-c2nc(NC(=O)c3ccccc3F)sc2NC(=O)c2ccco2)cc1 32624649 LGLHPRBVASETAB-UHFFFAOYSA-N 421.453 5.355 0 40 HKAB CC(=O)N[C@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1Cl 32922348 RCWHZPFMDBDMEC-JOCHJYFZSA-N 408.885 5.338 0 40 HKAB CCCCOc1ccc(-c2cc3c(SCc4cccc(OC)c4)nccn3n2)cc1 38486617 XFDDTGSQHNFSQN-UHFFFAOYSA-N 419.550 5.876 0 40 HKAB Cc1cc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2)cc(C)c1Cl 41303042 XRQCOGZDOUVEKD-OAHLLOKOSA-N 412.382 5.427 0 40 HKAB Cc1sc(CNC(=O)N2CCC[C@H]2c2ccncc2)nc1-c1ccc(Cl)cc1 56790931 XEAPCIMGCUTOLV-SFHVURJKSA-N 412.946 5.214 0 40 HKAB Cc1oc(-c2ccccc2)nc1CCNC(=O)Nc1ccccc1Cc1ccccc1 58341411 SNQBPJOZRRAWGB-UHFFFAOYSA-N 411.505 5.605 0 40 HKAB Cc1ccc(-c2csc(C(=O)NCc3ccccc3Cl)c2-n2cccc2)cc1 64472620 PERDRPOOFKISQZ-UHFFFAOYSA-N 406.938 6.098 0 40 HKAB Cc1csc(SCC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)n1 90608093 AZKLXKZLKYRITR-UHFFFAOYSA-N 400.491 5.115 0 40 HKAB Cc1ccc(C2=NN3[C@H](c4cccnc4)Oc4c(Cl)cc(Cl)cc4[C@H]3C2)cc1 102723936 TWPYXEFZYWBSRI-IRLDBZIGSA-N 410.304 5.939 0 40 HKAB O=C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)Nc1ccc(Cl)c(Cl)c1 102957558 VVESXDXKQLUTAW-VCKYCXPWSA-N 417.174 6.056 0 40 HKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4cccc(Cl)c4C)o3)N21 222714141 VQNNUKFXRYRTJM-UZQPLGKSSA-N 423.969 6.283 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1Cc1ccco1 223365712 VHPIAQQWHCGWDR-FCHUYYIVSA-N 406.555 5.154 0 40 HKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)c1 223946569 DWKQQRMZVDNWIY-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB COc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1ccccc1Cl 224133465 BHCSSDPOCJBDCI-UHFFFAOYSA-N 417.892 6.333 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)NCC(C)C)cc1 224624141 CXOSZIADGCZOBG-VWLOTQADSA-N 422.613 5.070 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(CSc3ccccc3)c2)cc1 224653309 QZGILPPTYCKRKI-UHFFFAOYSA-N 407.535 6.029 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(C)c3C)o2)cc1 224916961 HLVQQLIRYSRCIY-UHFFFAOYSA-N 412.489 6.276 0 40 HKAB Cc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)c1ccc(Br)cc1 226287989 MOARDIJDBQJVDB-UHFFFAOYSA-N 421.294 5.170 0 40 HKAB NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 408623893 UWKJOQVXEHUHQE-SOFGYWHQSA-N 401.249 5.004 0 40 HKAB Cc1nnc(S/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)C(=O)O)o1 408630720 CFHCXTWFUUURSN-BKUYFWCQSA-N 418.474 5.328 0 40 HKAB CC(C)Oc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(Br)c1 646727 ASXCYNHSFFNXJZ-UHFFFAOYSA-N 402.210 5.507 0 40 HKAB O=C(Nc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1)c1ccco1 835964 DBXFZHIJVDPLJB-UHFFFAOYSA-N 419.662 5.200 0 40 HKAB Cc1ccc(CS(=O)(=O)c2nc3c(c(Sc4ccc(C)cc4)n2)CCCC3)cc1 1398535 VWDJVKJWBSVGBR-UHFFFAOYSA-N 424.591 5.097 0 40 HKAB CN(C(=O)Cn1c(CSc2ccccc2Cl)nc2ccccc21)c1ccccc1 1400801 WHTRMDVGOQSULJ-UHFFFAOYSA-N 421.953 5.645 0 40 HKAB Clc1ccc(-n2nc3c(Cl)nnc(-c4ccccc4)c3c2-c2ccccc2)cc1 2181158 PNHGWYBSQMESFX-UHFFFAOYSA-N 417.299 6.456 0 40 HKAB CC(=O)N(CC[C@H](C(C)C)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 2347700 QDDZRHHYNAPSFM-LADGPHEKSA-N 403.607 5.690 0 40 HKAB CCn1c(NC(=O)c2ccc(F)cc2)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 2354611 FNAFOYSACMTFLC-UHFFFAOYSA-N 420.871 5.733 0 40 HKAB Cc1ccc(C(=O)[C@H](OC(=O)/C=C/c2cnc3ccccc3n2)c2ccc(C)cc2)cc1 2650386 XRDCHIIKWIUQHP-QLWPUQSHSA-N 422.484 5.427 0 40 HKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(NCCc4ccccc4)ncnc32)c1 2714937 CXZGRWAYEAHSJL-UHFFFAOYSA-N 404.517 6.051 0 40 HKAB O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1 2951279 MNNFSCMHFGILLN-BWAHOGKJSA-N 415.396 5.393 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc(OC(=S)Nc2ccccc2F)cc1 3082213 SMSPBIZADFOIOD-UHFFFAOYSA-N 400.862 5.507 0 40 HKAB COc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2Cc2ccccc2OC)cc1 3261359 QXKUJZUJZKZIJP-LCUIJRPUSA-N 420.509 5.654 0 40 HKAB Cc1ccc(-c2nnc(S[C@@H](C)c3ccccc3)n2-c2ccc(Cl)cc2)cc1 3449397 VTUCOCQTLQEARK-KRWDZBQOSA-N 405.954 6.749 0 40 HKAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(Cl)c(Cl)c1 3588450 RGKLZUHRUNUXFX-UHFFFAOYSA-N 420.365 5.421 0 40 HKAB COc1ccc(CCC(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1 4063101 YRPHFOVXRPPIKF-UHFFFAOYSA-N 403.507 5.247 0 40 HKAB Cc1ccc(N2C(=O)c3ccc(C(=O)O[C@H]4C[C@H](C)CC[C@@H]4C(C)C)cc3C2=O)cc1 4175037 CSOLZNRRMSQPLG-LLBVYWAGSA-N 419.521 5.413 0 40 HKAB CC(C)C(=O)n1nc(NCc2cccc(Cl)c2)nc1NCc1cccc(Cl)c1 4703231 PLDUSRVJCRYBPL-UHFFFAOYSA-N 418.328 5.105 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2cccc(Cl)c2)cc1 4715968 OJCPLSUAIPAHEA-ISKFKSNPSA-N 420.896 5.600 0 40 HKAB CC[C@@H](C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(C)cc1)C[C@@H]2C(F)(F)F 5100590 LMSOVKXUSILEMH-MRVWCRGKSA-N 414.859 5.034 0 40 HKAB C[C@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)Nc1ccccc1F 5288000 APSHMVWVHSWYCL-ZDUSSCGKSA-N 409.511 5.617 0 40 HKAB Cc1ccccc1-c1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)o1 5885694 LOWQHONIJGFZKU-UHFFFAOYSA-N 413.587 5.631 0 40 HKAB Clc1ccc2c(Cl)c(-c3nnc(-c4ccncc4)n3-c3ccccc3)sc2c1 6474926 YVHXSBAHERQLBI-UHFFFAOYSA-N 423.328 6.518 0 40 HKAB O=C(CSc1ccccc1C(=O)Nc1ccc(F)c(F)c1)NCC1CCCCC1 6558582 YMIISXUEZDXXTF-UHFFFAOYSA-N 418.509 5.006 0 40 HKAB CCOc1cc(C(=S)N2CCCC2)c(Br)cc1OCc1ccccc1 6656355 PTGQVQHKIQFFQV-UHFFFAOYSA-N 420.372 5.198 0 40 HKAB CCCCN1CN(CCc2c(C)cc(C(C)(C)C)cc2C)Cn2c1nc1ccccc12 7699101 AMWPWJIHYQQSHB-UHFFFAOYSA-N 418.629 6.030 0 40 HKAB COc1cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc(Cl)c1OC 7738347 NIVYMWUUAQVWGT-UHFFFAOYSA-N 407.857 5.153 0 40 HKAB CCN(CC)CCCNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 7984387 RIMSSINWKXXGRX-UHFFFAOYSA-N 408.373 5.067 0 40 HKAB CCOCc1c(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)oc2ccccc12 7987428 JNNXRSMHISEZLF-UHFFFAOYSA-N 406.404 5.306 0 40 HKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2ccc(O)cc2)cc1 8024984 FMXQDZZJVFTTOT-QHCPKHFHSA-N 415.880 5.494 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc5ccccc5c4)cc3)nc2c1 8196680 GCDZLMUQPHPBCV-GOSISDBHSA-N 420.512 7.414 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 8383057 DDKNNFXZWMNHQH-AWEZNQCLSA-N 414.288 5.630 0 40 HKAB Nc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)sc2nc(-c3cccnc3)ccc12 8682637 LVXIMWNKVANFDB-UHFFFAOYSA-N 415.305 5.500 0 40 HKAB c1ccc(-c2cc(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)no2)cc1 8750161 KWSWUGWQOOPTNK-KRWDZBQOSA-N 424.551 5.133 0 40 HKAB COc1ccc(-c2c(C)n[nH]c2-c2ccc(OCc3ccccc3C)cc2O)cc1 8970916 MAUJPRKHQRLAGZ-UHFFFAOYSA-N 400.478 5.654 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(Cc2c(F)cccc2Cl)CC1 9063661 JQQBFNRLGIXWHO-UHFFFAOYSA-N 414.830 5.349 0 40 HKAB Cc1cccc(-n2c(SCC(=O)Nc3nccs3)nc(-c3ccccc3)c2C)c1 9246440 NRMUZFNEFRFQOI-UHFFFAOYSA-N 420.563 5.343 0 40 HKAB Fc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9308778 GWYANDBZRBVFQY-TZIWHRDSSA-N 422.301 6.084 0 40 HKAB CC(=O)Nc1cccc(NC(=O)[C@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)c1 9576769 XSYNDQOIVSXIKI-CYBMUJFWSA-N 405.885 5.675 0 40 HKAB CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(C)c3ccccc23)c2ccccc12 11635117 TYRPRDLEHOLIMP-UHFFFAOYSA-N 405.475 5.028 0 40 HKAB CC(C)c1ccc(Cn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1 12378332 USMAOAJELJPKIW-UHFFFAOYSA-N 412.577 7.085 0 40 HKAB C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccccc4C(=O)NC4CCCC4)cc3c2C1 12976495 DDJAHAGTJPKANO-INIZCTEOSA-N 415.537 5.217 0 40 HKAB O=C1c2ccccc2C(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc21 17045780 QHSUKIZGDGHFIE-UHFFFAOYSA-N 414.461 5.264 0 40 HKAB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1C 17094222 YISNWELIRFNLDO-PKNBQFBNSA-N 424.953 6.052 0 40 HKAB O=C(c1ccc(Cl)cc1)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1 19331928 UQYYOZBTZHQRAU-UHFFFAOYSA-N 418.928 5.089 0 40 HKAB CCOP(=O)(OCC)[C@H](NCc1ccccc1)c1ccc(Br)cc1 20135606 NXISYYBJKHRUDP-SFHVURJKSA-N 412.264 5.504 0 40 HKAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1sc2ccccc2c1Cl 20139529 YAHZOQWPGROKRM-UHFFFAOYSA-N 418.301 6.213 0 40 HKAB CCOc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCc1ccc(Cl)cc1 20244051 FZKTXERSPLHOBX-QFIPXVFZSA-N 408.885 5.172 0 40 HKAB CCSc1ccccc1C(=O)Nc1cc(C)nn1-c1nc2ccc(F)cc2s1 21685259 ANJISLAEEIMNHF-UHFFFAOYSA-N 412.515 5.294 0 40 HKAB CCn1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(=O)c2cc(C)ccc21 22234651 RNOJNTIGWIVNGO-UHFFFAOYSA-N 408.807 5.254 0 40 HKAB CCOc1ccccc1-c1noc(CN2CCc3sccc3[C@H]2c2cccs2)n1 22242269 DHZANPVVDRBSPZ-NRFANRHFSA-N 423.563 5.406 0 40 HKAB Cn1c(-c2ccccc2)nn(CN2CCC[C@H]2c2nc3ccccc3s2)c1=S 24083858 FQBFKRJFPXELTA-KRWDZBQOSA-N 407.568 5.022 0 40 HKAB Cc1occc1-c1nn(CN2CCc3sccc3[C@@H]2c2ccccc2)c(=S)n1C 24766666 NYACZBSUFSBBJG-FQEVSTJZSA-N 422.579 5.186 0 40 HKAB Clc1c(CSc2nnc(-c3ccc4c(c3)OCO4)o2)sc2ccccc12 24966224 NKFSGWCHJSNBTF-UHFFFAOYSA-N 402.884 5.626 0 40 HKAB O=C(CSc1ncnc2ccsc12)Nc1c(Cl)cccc1C(F)(F)F 26953475 WBBJMETWIIHLET-UHFFFAOYSA-N 403.838 5.094 0 40 HKAB Cc1nc(COc2ccc3ccccc3c2)sc1C(=O)Nc1ccc(N(C)C)cc1 27912491 LOJGOYAOFSRPDE-UHFFFAOYSA-N 417.534 5.502 0 40 HKAB O=C(Nc1cc(NC(=O)c2ccco2)c2c(c1)Oc1ccccc1CC2)c1ccco1 30947716 OHDSHKVKFKDVTH-UHFFFAOYSA-N 414.417 5.268 0 40 HKAB CC(=O)N(c1nc(COc2ccc(-c3nnco3)cc2)cs1)c1cccc(C)c1C 31705280 MAZUFRMQTBRFEE-UHFFFAOYSA-N 420.494 5.074 0 40 HKAB CC1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3Cl)cc2)CC1 32125353 QVLDSYXVGUBUHF-UHFFFAOYSA-N 422.381 5.357 0 40 HKAB O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)Nc1ccccc1C(F)(F)F 32610042 UVURCXHKNSULLA-UHFFFAOYSA-N 412.774 5.387 0 40 HKAB COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)ccc2c1 32716656 GKUYLLIYPIFIKW-OAHLLOKOSA-N 401.428 5.629 0 40 HKAB C[C@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1nnc(-c2ccccc2)o1 32869731 UJVRGOMYUBYPDG-INIZCTEOSA-N 422.444 5.265 0 40 HKAB COc1ccc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1OC 38654656 ZWHBUYWUDHZBCU-UHFFFAOYSA-N 418.518 5.784 0 40 HKAB Cc1noc2nc(-c3ccco3)cc(C(=O)N3CC[C@H](C)Sc4ccccc43)c12 39539786 BHGFMNMMTKXHOB-ZDUSSCGKSA-N 405.479 5.322 0 40 HKAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 39761730 KMNYQAHWTYGZFF-UHFFFAOYSA-N 410.867 5.518 0 40 HKAB COc1cc(CN(C(=O)Nc2cc(Cl)ccc2C)C2CC2)ccc1OC(F)F 40119987 TWOURIQLYCVXIC-UHFFFAOYSA-N 410.848 5.455 0 40 HKAB Cc1ccc(NC(=O)COc2ccc3ccccc3c2CNC2CCCCC2)cc1 40736225 WUCAFKROZZJMKR-UHFFFAOYSA-N 402.538 5.588 0 40 HKAB FC(F)Sc1ccc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)cc1 57600710 WJKJIFQVTPWPFS-QPJJXVBHSA-N 419.566 5.029 0 40 HKAB O=C(c1cnc2ccc(F)cc2c1NCc1ccc(F)c(Cl)c1)N1CCCCC1 67288487 NKDVKXJJBFWTCJ-UHFFFAOYSA-N 415.871 5.405 0 40 HKAB CCC(=O)N(CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)[C@H](C)c1ccccc1 101674201 AKAMYEOOALBFQV-SDUSCBPUSA-N 407.598 6.365 0 40 HKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1OC 106698113 WVSRCMVJBGQXDM-MOSHPQCFSA-N 415.486 5.250 0 40 HKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(C(=O)O)cc4)o3)N21 222713171 VPQWQLNJPNQOEF-ZLGUVYLKSA-N 419.506 5.019 0 40 HKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 222960014 YPOYEBQNOIIREP-JOCHJYFZSA-N 408.542 5.116 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCCCC3)cc2)cc1C(C)C 223314611 UDDNHOYOYVZVLY-HXUWFJFHSA-N 408.586 5.604 0 40 HKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 223779571 IKBRSRRYNJNNGX-XZOQPEGZSA-N 418.566 5.184 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cnn(-c2ccc(Cl)cc2)c1 224057148 FDZVOANVKOJECX-UHFFFAOYSA-N 403.869 5.357 0 40 HKAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc(Cl)cc1 224162361 FRFLZYGJAOVEQB-UHFFFAOYSA-N 407.897 5.126 0 40 HKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCSc1ccccc1 224644375 HQNFHSLPDAKEAF-FQEVSTJZSA-N 424.610 5.035 0 40 HKAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(Br)cc3)o2)cc1 224857525 SPIOESVXWYARJN-UHFFFAOYSA-N 415.287 5.074 0 40 HKAB CSc1cccc(NC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)c1 224878601 KNAYJRFNRYORLU-UHFFFAOYSA-N 417.328 5.397 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2cccc(Br)c2)cc1 225497378 XNMWGAHKXMPISZ-GOSISDBHSA-N 407.377 5.532 0 40 HKAB O=C(NCc1ccnc(-c2cccs2)c1)c1cc(Br)ccc1Cl 225651370 OEFWQELKEVPHIE-UHFFFAOYSA-N 407.720 5.156 0 40 HKAB CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c2ccccc2O1 225707510 KNLHEKDJKROJNR-JPYJTQIMSA-N 403.522 5.806 0 40 HKAB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)/C=C\c5ccccc5)CC[C@@]43C)[C@H]1CCC2=O 253498489 BHWKXKHBCVBVDP-BPQDMFNVSA-N 418.577 6.144 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3c(OC)ccc4ccc(OC)cc34)N21 260781568 TUBNMWJDQIQYRE-XARZLDAJSA-N 419.550 5.231 0 40 HKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260817047 VPWMWOZJYURSRM-GBXCKJPGSA-N 404.595 5.111 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1)c1cccc(F)c1 408722587 LIMAMUZYHWVGCG-UHFFFAOYSA-N 408.885 6.522 0 40 HKAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1C 409065837 URNMWQXAPKRTLJ-UHFFFAOYSA-N 412.533 5.461 0 40 HKAB CC(C)Cn1c(SCc2ccc3ccccc3c2)nnc1-c1ccc(Cl)cc1 409096486 LEYWBGFZPUAFDT-UHFFFAOYSA-N 407.970 6.700 0 40 HKAB Cc1cccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)c1 409111166 BISNKMFZUJIVSZ-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB COc1cc(CNc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl 409112093 KDBIMNUGNVWMRY-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB Clc1ccc(Cn2cc(-c3nc4ccccc4s3)c3ccccc32)c(Cl)c1 409191919 QJRPPHIYCLEFSI-UHFFFAOYSA-N 409.341 7.273 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1 409410901 ADGJHVWXTAHTMW-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB CC(C)[C@H]1CC(CCNCc2ccc(Cl)cc2)(c2ccccc2)C[C@H](C(C)C)O1 524734956 MWHIXCNXUFWWBG-JWQCQUIFSA-N 414.033 6.617 0 40 HKAB Cc1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1 687084 DXPICZFZCYMNNB-XMMPIXPASA-N 400.909 5.918 0 40 HKAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 1042290 IKRHZHYBTDYGBM-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1cccc2c(C(=O)Nc3ccccc3Br)cc(-c3ccccc3)nc12 2055521 SYVYAORNBMFYQE-UHFFFAOYSA-N 417.306 6.225 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)c1 2074132 LTBGVPSHHWROKK-UHFFFAOYSA-N 417.509 5.784 0 40 HKAB Cc1ccc([C@@H](CC(=O)N[C@H]2CCOC(C)(C)C2)c2ccc(OC(C)C)cc2)cc1 2146143 FMJXDKAJJFRTMH-LADGPHEKSA-N 409.570 5.378 0 40 HKAB biogenic COc1ccc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)cc1Br 2309536 SJXXIOULUAVLQR-UHFFFAOYSA-N 411.324 6.243 0 40 HKAB CCn1c(NC(=O)C2CCCCC2)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 2332275 QDOQPCHRRUHHJI-UHFFFAOYSA-N 408.929 5.861 0 40 HKAB O=C(O)c1cc(-c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)nc2ccccc12 2434339 SLOVGAFXCNPGAQ-UHFFFAOYSA-N 417.770 6.532 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(Cl)cc2)N2CCCC2)c1C 2546452 YUCVWCWMJIOHNV-QFIPXVFZSA-N 424.997 6.456 0 40 HKAB CC(C)CNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 2714851 HWJNFJGEILFOHN-UHFFFAOYSA-N 410.443 6.174 0 40 HKAB COc1cccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)c1 2748645 AZSVHEBEAQSGSP-UHFFFAOYSA-N 422.406 6.182 0 40 HKAB O=C1C[C@H](c2ccc(Cl)c(Cl)c2)c2cc(Br)c3ccccc3c2N1 2750050 ZDWAKSZQZLGJIW-CYBMUJFWSA-N 421.121 6.383 0 40 HKAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCc2ccc(Cl)cc2)cc1 3249973 DAHXNWXBDSWECH-UHFFFAOYSA-N 418.880 5.558 0 40 HKAB CCCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(C)=O)C2 4303111 ZTURWKAFJDMKLZ-UHFFFAOYSA-N 413.568 5.058 0 40 HKAB Nc1c(C(=O)Nc2cccc(F)c2)sc2nc(C34CC5CC(CC(C5)C3)C4)ccc12 4561672 HHLSSAVLGHTRKR-UHFFFAOYSA-N 421.541 5.738 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(Br)cc4)ccc3o2)cc1 4575514 RSUWMVSFESQYPO-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N2CCC(CCc3ccccc3F)CC2)cc1 4709731 LJEFJTJEUANWNT-UHFFFAOYSA-N 414.546 5.044 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3cc2C)CC[C@@H](C(C)(C)C)C4)cc1 4735777 QWMJTOQAXOXZRJ-QGZVFWFLSA-N 411.567 6.001 0 40 HKAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 4836012 OUHBXOHAICMJBD-UHFFFAOYSA-N 409.551 5.158 0 40 HKAB COc1cccc(C(=O)N(Cc2cc3cccc(C)c3nc2Cl)C2CCCCC2)c1 4861340 VCTROAZCORUMLM-UHFFFAOYSA-N 422.956 6.180 0 40 HKAB Nc1ccccc1S[C@@H]1CC(=O)N(c2ccc(Oc3ccc(Cl)cc3)cc2)C1=O 5011914 MWPQUTVJKRUCHQ-HXUWFJFHSA-N 424.909 5.139 0 40 HKAB Cc1ccc(C)c(NC(=O)NC[C@@H]2C[C@H](NC(=O)Nc3cc(C)ccc3C)C2(C)C)c1 5542476 HVEOMALVDLXSSR-UGKGYDQZSA-N 422.573 5.278 0 40 HKAB Cc1cc(SCC(=O)c2cccs2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 5562811 VCLRZYQDAWUXRY-UHFFFAOYSA-N 413.955 5.703 0 40 HKAB aggregator Cc1cc(Oc2nc(-c3ccc(OC(C)C)cc3)nc3ccccc23)cc(C)c1Cl 5574156 ZSMIHTKNFCMJRG-UHFFFAOYSA-N 418.924 7.147 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSCc1ccccc1Cl 5583975 HZDOUXFZSPBRTR-SOFGYWHQSA-N 400.758 5.710 0 40 HKAB O=C(O)[C@H](Sc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccccc1 6242461 QVDFIHKYOWALFD-HXUWFJFHSA-N 406.894 5.868 0 40 HKAB CC1=C2C[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@@H]2C 6495261 QASFUMOKHFSJGL-CAAVMPQMSA-N 411.630 5.002 0 40 HKAB biogenic,in-vitro Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)Cc2ccco2)ccc1Cl 6810585 FGFQKZFOKJSGKF-UHFFFAOYSA-N 404.293 5.503 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1 7073083 GIWCBCDHPMNBPU-MRXNPFEDSA-N 418.468 6.165 0 40 HKAB COc1cc(Cl)c(C)cc1NC(=O)c1cccc(OCc2c(C)noc2C)c1 8269604 LALDITLAMDKSEW-UHFFFAOYSA-N 400.862 5.093 0 40 HKAB Cc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NC(=O)Nc4ccccc4)C3)c2C)cc1Cl 8636120 RXAVLWLKKTYYPR-UYAOXDASSA-N 420.944 5.685 0 40 HKAB biogenic,in-vitro O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CN1c1cccc(Cl)c1 8755066 RWDSSDXRAFEYHH-KRWDZBQOSA-N 419.887 5.398 0 40 HKAB Fc1ccc(-c2nn3c(-c4ccccc4Br)nnc3s2)cc1Cl 8990575 AHKFOUZRVYSTPU-UHFFFAOYSA-N 409.671 5.075 0 40 HKAB Cc1ccnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)c1 9111323 NHESQQNKPJCBBG-HXUWFJFHSA-N 420.827 5.039 0 40 HKAB COc1ccc(-c2oc3ncnc(Nc4ccccn4)c3c2-c2ccc(OC)cc2)cc1 9253229 AQISYUQHGXBKKM-UHFFFAOYSA-N 424.460 5.713 0 40 HKAB Cc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2o1 9660173 GXBDYZXOAALJAO-UHFFFAOYSA-N 411.501 6.318 0 40 HKAB biogenic O=C(CCCSc1ccc(F)cc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 9909763 PHRRLALIGJDRTB-UHFFFAOYSA-N 411.502 5.266 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@@H]3c2ccccn2)cc1 10215733 GQIQXMCBRHJHTO-WIOPSUGQSA-N 415.493 5.121 0 40 HKAB COc1cccc2sc(N(Cc3ccco3)C(=O)Cc3ccc(SC)cc3)nc12 10527379 IDGLQBDYTPQVCC-UHFFFAOYSA-N 424.547 5.396 0 40 HKAB CCOc1ccc2oc(-c3ccccc3)c(C(=O)Nc3ccccc3OCC)c2c1 11866454 NXZFVAXMRQMCOP-UHFFFAOYSA-N 401.462 6.150 0 40 HKAB biogenic CN(C(=O)C1CCCCC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 12237239 NBMVHDFNYSDHQD-UHFFFAOYSA-N 423.582 5.042 0 40 HKAB Cc1ccccc1Cn1c([C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc2ccccc21 12539705 YYQZAYFAJRHCOQ-NRFANRHFSA-N 413.496 5.048 0 40 HKAB Cc1ccc(Oc2ccccc2NC(=O)CSCC(=O)Nc2cccc(C)c2)cc1 12786323 APAOBJLDPXILLZ-UHFFFAOYSA-N 420.534 5.406 0 40 HKAB C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)c1nc2ccccc2c(=O)[nH]1 13128121 XPKWSFVUOQMNMA-NEPJUHHUSA-N 424.551 5.013 0 40 HKAB O=C(c1ccc(-c2ccccc2)cc1)c1ncc(-c2ccc(-c3ccccc3)cc2)[nH]1 13212682 XSXVRHYCCFQZGU-UHFFFAOYSA-N 400.481 6.642 0 40 HKAB Cc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccccc3)C2=O)cc1C 15412510 TXRDNNKPPFUSFH-QHCPKHFHSA-N 404.897 5.078 0 40 HKAB CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccc(-c3cccc(F)c3)cc2)C1 19020978 SSOHCRQAKSQKQF-JTHBVZDNSA-N 423.557 5.039 0 40 HKAB Cc1ccc([C@@H](C)C(=O)N[C@H]2CCCc3c2cnn3Cc2cccc(Cl)c2)cc1 19136311 LCZFBOMDLMLFDZ-VGSWGCGISA-N 407.945 5.191 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1Cl 20142548 NHBUWQUYEFWVQW-UHFFFAOYSA-N 406.265 5.315 0 40 HKAB Cc1ccccc1-c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc2n1 20419111 HFQJHFRUPFLDEM-UHFFFAOYSA-N 421.544 5.168 0 40 HKAB S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(-c2ccc(Cl)cc2Cl)o1 22111451 MVJYJVCZLGOWDJ-UHFFFAOYSA-N 418.309 5.313 0 40 HKAB O=C(Nc1ccn(Cc2cccc3ccccc23)n1)c1ccccc1Br 28303459 VMQQSIWYKGNYGA-UHFFFAOYSA-N 406.283 5.099 0 40 HKAB Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1-c1nc(-c2cccs2)no1 31815620 MFSBUMLIRGHXRW-UHFFFAOYSA-N 402.888 5.136 0 40 HKAB O=C(/C=C\c1ccccc1)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 34871651 JOOYPKRHTHZXRM-WDZFZDKYSA-N 409.272 6.454 0 40 HKAB O=C(Nc1nc(SCCOc2ccccc2)ns1)Nc1ccccc1Cl 35314230 ASOGUUYVQOMNGB-UHFFFAOYSA-N 406.920 5.007 0 40 HKAB COc1cccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3c(C)nn(C)c3n2)c1 36616762 SHLHOIYQYUFJOD-UHFFFAOYSA-N 420.900 5.166 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2ccc(Br)cc2)[nH]n1 40478299 ZFTPILRZAMIIBW-UHFFFAOYSA-N 411.086 5.398 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 44885344 KLTKSMLKHMTOTL-OAHLLOKOSA-N 419.171 6.265 0 40 HKAB CCOc1ccccc1CN(CCCn1ccnc1)C(=O)Nc1ccc(C(C)C)cc1 48313301 KRGCZZCJLOMRGZ-UHFFFAOYSA-N 420.557 5.530 0 40 HKAB CC(C)(C)OCc1cccc(CNC(=O)NCc2cccc(COC(C)(C)C)c2)c1 69351468 UOQPAIBEJBHGCE-UHFFFAOYSA-N 412.574 5.316 0 40 HKAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72214675 VPPHPPZONTUSKV-KRWDZBQOSA-N 405.539 5.305 0 40 HKAB C[C@H]1CCCCN1c1cc(NC(=O)c2ccccc2Br)c(Cl)cc1N 72229208 RXGRZCDCZWXELL-LBPRGKRZSA-N 422.754 5.316 0 40 HKAB Cn1cc(-c2cccc(C(=O)N3CCCC[C@@H]3c3nc4ccccc4s3)c2)cn1 72295265 FHEBSEWZEDDPKI-HXUWFJFHSA-N 402.523 5.064 0 40 HKAB Nc1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2C(=O)CCc2ccccc2)n1 72376911 IUMBDJFFLGKSQL-OAQYLSRUSA-N 420.944 5.066 0 40 HKAB C[C@@H](CNC(=O)CCCCc1nc2ccccc2s1)c1nc2ccccc2s1 84638320 OTBYTIZZOUOGQN-HNNXBMFYSA-N 409.580 5.539 0 40 HKAB C[C@@H](NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1ccc2c(c1)CCO2 95957116 QNLOKSBMUVXWCJ-SSDOTTSWSA-N 406.096 5.121 0 40 HKAB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 113443824 MMWVZFMYFHANOX-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB CC(C)Oc1ccc(CCCNC(=O)c2cccc(OCc3ccccc3)c2)cc1 218978521 RQIOISONKFTIJB-UHFFFAOYSA-N 403.522 5.415 0 40 HKAB CC[C@@H](NC(=O)CCCN1C(=O)c2cccc3cccc1c23)c1ccc(C)c(C)c1 219473402 CVKTZAYYHXCGBK-JOCHJYFZSA-N 400.522 5.465 0 40 HKAB CSc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1 222628409 SLFHJLYBNJHWLR-UHFFFAOYSA-N 404.922 6.529 0 40 HKAB CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 223955963 YFBFJRRHRGOXAS-UHFFFAOYSA-N 422.550 5.391 0 40 HKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)c1 224528239 JHJDXELVXVNGRC-PKTZIBPZSA-N 420.582 5.267 0 40 HKAB CCOc1ccc(C(=O)NCc2ccccc2)cc1CSc1ccc(Cl)cc1 224670415 QTCZHIVUSZHUJP-UHFFFAOYSA-N 411.954 5.961 0 40 HKAB COc1ccc(-c2cnc(CCC(=O)Nc3cc(Cl)ccc3Cl)o2)c(OC)c1 224867969 NJQCNRINESZKPX-UHFFFAOYSA-N 421.280 5.237 0 40 HKAB Cc1ccc(NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 225454396 RLTLLCYWCZHFNK-UHFFFAOYSA-N 417.578 6.354 0 40 HKAB CCCO[C@]1(C(=O)Nc2cc(C)c(OCc3ccccc3)c(C)c2)CCC[C@H](C)C1 225666905 CCOOSVYCBRWNNG-AFMDSPMNSA-N 409.570 6.196 0 40 HKAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1ccc(Oc2ccccc2)cc1 225723478 VZFWLFIOYNVWNL-UHFFFAOYSA-N 404.853 5.086 0 40 HKAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3[C@H](C)c3ccncc3)cc2n1 257289306 PYAXCEDGKCRUTM-KDOFPFPSSA-N 403.452 5.165 0 40 HKAB CCn1c2c(s/c1=N\C(=O)C(c1ccccc1)c1ccccc1)CCc1ccccc1-2 408563090 UBBWKRHXTHDSKF-DQSJHHFOSA-N 424.569 5.595 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccc(F)cc2)c1 408699723 VYPWXZNEPRTNBF-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)N(CNc3cccc(Cl)c3C)C2=O)cc1 408726826 NEOACLTVJBZUPV-WOJGMQOQSA-N 402.903 5.153 0 40 HKAB Cc1cc(C)cc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 409064581 DKVHJQAONRKZIV-UHFFFAOYSA-N 412.533 5.461 0 40 HKAB Cc1ccc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)c1 717496 BGIXBLOTMITKKC-OAHLLOKOSA-N 419.546 6.128 0 40 HKAB CC(C)CC(=O)Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 724524 DPRFTOYORNIUAH-UHFFFAOYSA-N 423.310 6.395 0 40 HKAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 883860 JEHVIBZKKNYQLD-UHFFFAOYSA-N 403.429 5.202 0 40 HKAB c1ccc(OCCn2c(SCc3nc4ccccc4[nH]3)nc3ccccc32)cc1 1198666 SAJTUGXPTDYULN-UHFFFAOYSA-N 400.507 5.284 0 40 HKAB Cc1ccc2cc(CN(Cc3ccccc3)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1 1352835 CKMZSLVYLBOIFX-UHFFFAOYSA-N 415.468 5.210 0 40 HKAB Cc1cccc(C(=O)N2CCc3cc(-c4csc(Nc5ccccc5)n4)ccc32)c1 1354481 LGUIIGMXOQNRSC-UHFFFAOYSA-N 411.530 6.065 0 40 HKAB Clc1ccccc1[C@@H](c1ccccc1)[C@H](c1ccccc1)c1ccccc1Cl 1690827 MATSURWGMAEFEN-CLJLJLNGSA-N 403.352 7.957 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(Cc4ccc(Cl)cc4Cl)c(=O)c23)C1 1784997 AUEAEKLDDGBVPG-GFCCVEGCSA-N 422.381 5.359 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)cc1 2086613 BZWCHDGPFXSLFV-OAHLLOKOSA-N 420.965 7.383 0 40 HKAB COC(=O)c1c(NC(=O)c2cc(F)c(F)cc2Cl)sc2c1CCCCCC2 2086746 XDKDYILNWSXLPD-UHFFFAOYSA-N 413.873 5.378 0 40 HKAB Cc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1Cl 2093086 RTWODSSKYCZWFN-UHFFFAOYSA-N 423.896 5.998 0 40 HKAB biogenic CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)cc1 2169720 ZGBNECJNGUGIHB-CIAFOILYSA-N 421.449 5.525 0 40 HKAB COc1ccccc1-c1c(NC(=O)c2ccccc2Cl)n(C)c2ccccc2c1=O 2229269 UAZDPUHDVSRTNS-UHFFFAOYSA-N 418.880 5.120 0 40 HKAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\N=C(c2cccc3ccccc23)OC1=O 2302837 MQVBZKLKOZSUTR-STZFKDTASA-N 413.864 5.332 0 40 HKAB CCCCOC(=O)c1c(N)n(-c2ccc(CCCC)cc2)c2nc3ccccc3nc12 2371389 HDACYAZTPTYAGX-UHFFFAOYSA-N 416.525 5.455 0 40 HKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1 2669169 OTVXPUXINSQXAG-MRXNPFEDSA-N 412.986 6.328 0 40 HKAB Fc1ccc(-c2csc3ncnc(N4CCC(Cc5ccccc5)CC4)c23)cc1 2888963 PWGCUEGNWWSCOC-UHFFFAOYSA-N 403.526 5.957 0 40 HKAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc(Cl)cc1 2889660 MXYQXYDJEMBXQC-UHFFFAOYSA-N 401.871 5.116 0 40 HKAB Cc1ccc(C2=C[C@@H](c3ccc(Cl)cc3Cl)n3c(nc4ccccc43)N2)cc1 2915351 GDNFOQROBBTMGN-QFIPXVFZSA-N 406.316 6.708 0 40 HKAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)Nc3nnc(C4CC4)s3)cc12 3210715 XBSBWWYKAUEBDH-UHFFFAOYSA-N 415.931 5.030 0 40 HKAB aggregator CC[C@@H](C)c1ccccc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 3237119 YIQZLEJVUPTBII-LJQANCHMSA-N 401.506 5.514 0 40 HKAB CC(C)Cn1c(SCc2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCCC3 3259803 FHHSOPZHFHTDKP-UHFFFAOYSA-N 419.015 5.939 0 40 HKAB CCN(C(=O)COC(=O)c1c(Cl)cccc1Cl)c1cccc2ccccc12 3294588 FSDYUFIXGWMZDX-UHFFFAOYSA-N 402.277 5.357 0 40 HKAB CCN(CC)CCNc1nc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1 3503988 MFKATAJWLKTKPM-UHFFFAOYSA-N 411.571 5.248 0 40 HKAB O=C(Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12)c1cccc(Cl)c1 4162513 QBLJZPOKPGSSPV-UHFFFAOYSA-N 408.816 5.730 0 40 HKAB Cc1ccccc1-n1nc2c(c1NC(=O)CC13CC4CC(CC(C4)C1)C3)CSC2 4176204 RTYPKTPSIXEFLN-UHFFFAOYSA-N 407.583 5.473 0 40 HKAB O=C(CSc1ccc(F)cc1)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 4496716 LWDCDJBBNRMNOJ-UHFFFAOYSA-N 410.495 5.539 0 40 HKAB Cc1cccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)c1 4676403 ORTNZNNIXJCXPH-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB COc1ccccc1-c1ocnc1C(=O)NCC(C)(c1ccccc1)c1ccccc1 5002018 WWSYVPMVIKLGHG-UHFFFAOYSA-N 412.489 5.086 0 40 HKAB CCCCCOC(=O)CSc1nc(-c2ccc(C)cc2)nc2c1COC(C)(C)C2 5206445 HCPAXAGBNVGQDA-UHFFFAOYSA-N 414.571 5.129 0 40 HKAB CC(C)(C)N(Sc1nc2ccccc2s1)Sc1nc2ccccc2s1 5439441 VILGDADBAQFRJE-UHFFFAOYSA-N 403.623 6.721 0 40 HKAB CC[C@@H]1CCCCN1C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 5602942 FQCKFBWOIYBMAE-YADHBBJMSA-N 422.396 5.725 0 40 HKAB Cc1ccc(NC(=O)[C@@H](OC(=O)c2cccnc2Cl)c2ccccc2)cc1Cl 6064327 YRCOGNKVQXBQCO-SFHVURJKSA-N 415.276 5.234 0 40 HKAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3CCC3CCCCC3)CC2=O)c1 6275272 DFOXXEPHXVQAJD-FQEVSTJZSA-N 417.553 5.536 0 40 HKAB CC(C)c1ccc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 6347319 ZXTYWUDHOVDLQB-UHFFFAOYSA-N 419.304 6.499 0 40 HKAB CCN1CCC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3CC[C@H]12 6594343 GJKMOUKNSOUERC-BQSSYIGYSA-N 401.723 7.792 0 40 HKAB CC(C)n1ncc2c(C(=O)NCCSc3ccc(Cl)cc3)cc(C3CC3)nc21 8263051 SQWSMKBLUWKZQF-UHFFFAOYSA-N 414.962 5.065 0 40 HKAB Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccc4c(c3)sc3ccccc34)[nH]2)cc1 8426377 PGVOFOFYWOPDPF-UHFFFAOYSA-N 420.512 7.918 0 40 HKAB COc1ccc(CCNCc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 8474368 GBSSLWITPJVUDW-UHFFFAOYSA-N 411.929 5.269 0 40 HKAB CC(C)c1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 8845438 UFABVLOBXDDXDP-VWLOTQADSA-N 424.504 5.046 0 40 HKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 9252448 WMSYBEYSFLXDRW-UHFFFAOYSA-N 412.873 5.128 0 40 HKAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(-c2ccccc2)cc1 10120024 QABYNWUXAVENTQ-UHFFFAOYSA-N 404.469 6.338 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3ccc(Cl)nn3)ccc21 10653530 QNJMAVFYVKFTIH-CYBMUJFWSA-N 410.930 5.377 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1c(C)nc(-c2cccs2)nc1SC 12648172 QJXGMWAYSZVAII-UHFFFAOYSA-N 405.932 5.150 0 40 HKAB CCOc1ccccc1NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C 12923548 NINHDXKKPBQRAT-UHFFFAOYSA-N 402.903 5.335 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCCOc1ccc2ccccc2c1 12989691 WVWAEQPHEJJNOM-UHFFFAOYSA-N 406.869 5.265 0 40 HKAB C[C@H](NC(=O)CN(C)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 13056026 XCVMRYOOGVXPAH-NSHDSACASA-N 420.167 5.609 0 40 HKAB Cc1nc(-c2ccccc2)nc2sc3c(=O)n(CCCc4ccccc4)cnc3c12 13681766 YHMFEPFZMTWJPK-UHFFFAOYSA-N 412.518 5.009 0 40 HKAB C[C@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)N[C@H](C)c1ccc(F)cc1 14092796 MCMXMZXVJYGWQY-SJORKVTESA-N 407.441 5.041 0 40 HKAB Cn1c(-c2ccccc2)nn(CN2CCc3sccc3[C@@H]2c2cccs2)c1=S 14182567 SDASMLZDNQEYFW-LJQANCHMSA-N 424.620 5.346 0 40 HKAB O=C(Cc1ccsc1)Oc1ccc(-c2ccc(I)cc2)cc1 16043978 DEIIBFUQHSAEOK-UHFFFAOYSA-N 420.271 5.168 0 40 HKAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(Cl)c(OCC)c(OC)c2)cc1 16141789 QKSWGVBTQNTXBF-IBGZPJMESA-N 403.906 5.123 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=O)c4cccnc4Cl)c3)nc2c1 16268754 OQCVYUFZXKRZPV-UHFFFAOYSA-N 412.276 6.066 0 40 HKAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@@H](c3ccc(F)c(F)c3)N1CC2 19550725 CPQKGOHIFYQAKA-DNQXCXABSA-N 408.448 5.054 0 40 HKAB Clc1ccc(-c2n[nH]c(SCc3ccc(Cl)c(Cl)c3)n2)c(Cl)c1 20195558 QZMGOZNSQMFJIA-UHFFFAOYSA-N 405.137 6.378 0 40 HKAB O=C(CCc1ccccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20513517 AXGTXVPZKYRCBN-UHFFFAOYSA-N 418.968 5.206 0 40 HKAB CCc1n[nH]c(SCc2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)n1 20611445 LCMPYIKHKSLXAV-UHFFFAOYSA-N 418.975 5.044 0 40 HKAB CCCCC(=O)Nc1ccc2nc(SCCOc3ccc(C)cc3)sc2c1 20895103 ZKDVTLGQGQJRLM-UHFFFAOYSA-N 400.569 5.905 0 40 HKAB O=C(Cn1cc(SCc2cccc3ccccc23)c2ccccc21)N1CCCCC1 21728321 BKGQNAMRRUTLEJ-UHFFFAOYSA-N 414.574 6.099 0 40 HKAB C[C@H](Nc1nc2ccccc2s1)C(=O)N[C@H](c1ccc(F)cc1)c1cccs1 29014975 IXPJXLJIAPYMMO-ORAYPTAESA-N 411.527 5.203 0 40 HKAB Brc1ccc(Oc2ccc(NCc3nc(-c4ccco4)no3)cc2)cc1 32754353 KPTJSKWMHVLBMJ-UHFFFAOYSA-N 412.243 5.497 0 40 HKAB O=C(COc1ccc(CNc2ccc(F)cc2)cc1Cl)Nc1ccc(F)cc1 33759990 AESPTHLAQJRQAE-UHFFFAOYSA-N 402.828 5.248 0 40 HKAB COc1ccc(/C=C/c2nc(-c3ccccc3O)n(-c3ccc4ccccc4n3)n2)cc1 36559216 PGZOQRVIOATFDY-FOWTUZBSSA-N 420.472 5.367 0 40 HKAB COc1ccccc1/C=C\c1ccc(-c2ccc(/C=C/c3ccccc3OC)cc2)cc1 44069249 HZAWHDJKNZWAAR-KBNZVFGVSA-N 418.536 7.712 0 40 HKAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 44904738 WBDUVHWAVIBKKR-KRWDZBQOSA-N 402.343 5.068 0 40 HKAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 45326910 SJMVINGTTIVJJZ-UHFFFAOYSA-N 424.422 5.752 0 40 HKAB Cc1ccsc1CN(C)C(=O)COc1ccc2ccccc2c1Br 58369145 FJQPBDWIXKKRDQ-UHFFFAOYSA-N 404.329 5.010 0 40 HKAB O=C(Nc1ccccc1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 71316700 URITUNRITOCNMS-UHFFFAOYSA-N 416.484 6.608 0 40 HKAB COc1cc(CN(C(=O)c2ccc(Cl)cc2Cl)c2ccc(C)cc2)ccc1O 95470293 MUHBXROFDLMQMQ-UHFFFAOYSA-N 416.304 5.863 0 40 HKAB CC(C)c1cccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c1 98073042 VXPVDUZHJIXGOK-UHFFFAOYSA-N 422.266 5.392 0 40 HKAB CCc1ccc(NC2=C[C@H](c3ccc(C(C)(C)C)cc3)N(c3ccc(CC)cc3)C2)cc1 100286790 CXXOFMMGQYLYHT-GDLZYMKVSA-N 424.632 7.666 0 40 HKAB C=CN(CC)c1ccc([C@H](c2ccccc2)C2C=CC(CCN)(CCN)C=C2)cc1 102135837 LKFPMMLPPAJOLU-SANMLTNESA-N 401.598 5.215 0 40 HKAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(F)c(Cl)c3)c3ccccc3C2=O)cc1C 104721207 ZBEAOUQZMPQTPI-MOSHPQCFSA-N 420.871 5.736 0 40 HKAB CCCOc1c(Br)cc(CNc2ccc(F)cc2)cc1Br 106965004 QMFHACRCCNXXBO-UHFFFAOYSA-N 417.116 5.752 0 40 HKAB CCN(C(=O)Nc1cccc(OC(F)F)c1C)[C@H]1CCN([C@H](C)c2ccccc2)C1 107153081 XEQXWAKJRPHZNF-MJGOQNOKSA-N 417.500 5.286 0 40 HKAB CCSc1nnc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)s1 107826785 XROJTIXOJPMRBH-UHFFFAOYSA-N 422.000 5.848 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)N1CCS[C@H](c2ccccc2)CC1 211145235 PFIKLKDZEYBPQV-QHCPKHFHSA-N 402.563 5.666 0 40 HKAB C[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc2c(c1)CCC2 223208112 SSKIUXGNEJEULP-QGZVFWFLSA-N 405.925 5.899 0 40 HKAB CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223403850 UTWBGKYRURLTEU-XMMPIXPASA-N 424.972 5.437 0 40 HKAB CC(C)c1ccccc1OCCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 223747417 PXOSRVJURFSDGY-PTGBLXJZSA-N 419.952 6.199 0 40 HKAB Cc1cc(Cl)cnc1NC(=S)NCC1(c2ccc(Cl)cc2)CCCCC1 223996778 XDUNHSCXOBWQSC-UHFFFAOYSA-N 408.398 5.885 0 40 HKAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1CSc1ccc(C)cc1 224343149 CVGLOYBDRMFQPM-HXUWFJFHSA-N 419.590 6.047 0 40 HKAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(C(C)(C)C)cc1Br 224962652 BKIDZWUPYXBICI-AWEZNQCLSA-N 420.347 5.011 0 40 HKAB Cc1ccccc1CSCCCNC(=S)Nc1ccc(OC2CCCC2)cc1 225601940 ASDCEVBBXYNTJP-UHFFFAOYSA-N 414.640 5.926 0 40 HKAB COC(=O)c1cc(NC(=S)N[C@@H](c2ccc(C)cc2C)C(C)C)ccc1Cl 225765264 CUNOMCADOBBNTC-LJQANCHMSA-N 404.963 5.427 0 40 HKAB C[C@@]12C[C@H]3[C@@H](Cc4ccccc4)N[C@@H]1CCCC[C@@H]2N3C(=O)c1cc2ccccc2o1 257258133 KSMMJCJFWZBGAC-XDDUCGQKSA-N 414.549 5.179 0 40 HKAB O=C(CCc1cccc(Cl)c1)N1CCC[C@H](c2ccc(Cc3ccccc3)cn2)C1 257317648 VKPDMHFLGUNWAI-QHCPKHFHSA-N 418.968 5.665 0 40 HKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(CSc2ccc(Cl)cc2)cc1 408564277 UUHSVPCPASOVOB-UHFFFAOYSA-N 411.998 6.331 0 40 HKAB Cc1cccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1 408576630 QDYYMZRZQBDHNK-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1Cl 408620701 IXXZLSPJZJAEKG-UHFFFAOYSA-N 401.702 5.826 0 40 HKAB O=C(COC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Cl)cc1 408620906 MUMDGYNYNUOXAZ-UHFFFAOYSA-N 409.652 5.947 0 40 HKAB Cc1c(C(=O)O)cccc1-c1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)o1 408633234 JEWUGGOVBJYWTO-ODLFYWEKSA-N 421.430 5.312 0 40 HKAB CC[C@@H](C)CN(C)C(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2onc(C)c12 606197433 IMBNBFZYNDYYFS-GFCCVEGCSA-N 405.420 5.335 0 40 HKAB C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 1903857760 GMBQZIIUCVWOCD-FFNVBYATSA-N 416.646 5.794 0 40 HKAB O=C(NCc1ccccc1)c1ccc(-c2ccc(C(=O)NCc3ccccc3)cc2)cc1 683046 CSWWOTZQCBFIHV-UHFFFAOYSA-N 420.512 5.214 0 40 HKAB Nc1c(C(=O)Nc2ccc3ccccc3c2)sc2nc3c(cc12)CCCCCC3 691633 DRUDSRCTQWWYEP-UHFFFAOYSA-N 401.535 5.943 0 40 HKAB Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(OCC(C)C)cc4)c3)nc2c1 1004156 ABEFIEJQJXANMM-UHFFFAOYSA-N 400.478 6.090 0 40 HKAB C[C@H]1CCCN(C(=O)CSc2nc(C3CC3)nc3sc4c(c23)CC[C@@H](C)C4)C1 1377309 OCBAZNYGUBKXCO-KGLIPLIRSA-N 415.628 5.044 0 40 HKAB CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)c1cccc(F)c1 2063129 NNGDRKDIRRGUQC-RUZDIDTESA-N 407.916 6.614 0 40 HKAB aggregator CCCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1 2085699 JTURQGGMJNGAAL-VWLOTQADSA-N 400.522 6.335 0 40 HKAB CCOc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3OC)no2)cc1 2216956 UMRYUAPRLGEOHL-UHFFFAOYSA-N 415.449 5.063 0 40 HKAB CCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1ccccc1OC 2342015 WHFGSSUAWWHSRO-UHFFFAOYSA-N 400.474 6.000 0 40 HKAB biogenic Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CCCc1nc2ccccc2s1 2620410 SUJXTVOPPMQTQG-HNNXBMFYSA-N 406.507 5.223 0 40 HKAB CC(C)c1ccc(NC(=O)N[C@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)cc1 2725326 FYJVIKXGWOGVEV-GOSISDBHSA-N 400.784 5.272 0 40 HKAB O=C(NCc1ccccc1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2741736 GQRJLCOIHPWRHM-UHFFFAOYSA-N 417.306 5.594 0 40 HKAB CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(C)cc2)cc1 2766220 ZIGOKBWYVWXWRP-AREMUKBSSA-N 410.517 5.663 0 40 HKAB O=C(CSc1nnc(NCc2ccccc2)s1)c1ccc(-c2ccccc2)cc1 3221400 VNDUSOJXZFDUHI-UHFFFAOYSA-N 417.559 5.792 0 40 HKAB CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCC(=O)N(C)c1ccccc1 3233811 DULWHEUEQZUBQH-UHFFFAOYSA-N 413.473 5.064 0 40 HKAB O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)c1c[nH]c2ccccc12 3332173 QCDKIHRZJFQTNJ-UHFFFAOYSA-N 417.968 5.773 0 40 HKAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CC(=O)Nc3ccc(C)c(C)c3)c12 3634648 UMYTYIFUILXJRV-UHFFFAOYSA-N 402.416 5.204 0 40 HKAB CCN(CC)c1ccc2cc(-c3nnc(Nc4ccc(C)cc4)s3)c(=O)oc2c1 4434155 DCPDJULROTTZDI-UHFFFAOYSA-N 406.511 5.210 0 40 HKAB biogenic COc1ccccc1[C@@H]1CC(c2cccs2)=NN1c1ccc(Br)cc1 4578200 SGMONTDJPXBEPL-SFHVURJKSA-N 413.340 5.875 0 40 HKAB O=C1S/C(=C\c2cccn2-c2ccc(O)cc2)C(=O)N1Cc1ccc(Cl)cc1 4676043 DINDFRUKLZXXKW-UNOMPAQXSA-N 410.882 5.073 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3cccc(F)c3)sc2-c2ccccc2)cc1 4700070 HPIHTAOMOLPCFV-UHFFFAOYSA-N 404.466 5.877 0 40 HKAB Cc1c([C@@H]2C3=C(CCCC3)C(=O)N2Cc2ccc3c(c2)OCO3)c2ccccc2n1C 4747645 OFLIIDLKTOBXOU-VWLOTQADSA-N 414.505 5.170 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(C)cc2Cl)cc1 4901907 OYTQDNAWXSUCIR-UHFFFAOYSA-N 420.896 5.113 0 40 HKAB C[C@@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1cccc2ccccc12 5382008 RAUWJGKLIMWTAU-QGZVFWFLSA-N 400.478 5.214 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1 5556574 JCPVVEQDKAPSTN-UHFFFAOYSA-N 415.880 5.766 0 40 HKAB O=C1c2ccccc2N[C@H](c2ccc(Cl)c(Cl)c2)N1c1ccc(Cl)cc1 5673085 DJVFLNRGEMVOTJ-IBGZPJMESA-N 403.696 6.418 0 40 HKAB Cc1cc(NC(=O)C(Cl)(Cl)Cl)ccc1NC(=O)c1cc2ccccc2o1 5960470 WRRNNTVXMUZUPO-UHFFFAOYSA-N 411.672 5.302 0 40 HKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC(C)C)cc4)cc3n2)cc1 5985214 GMEKAVFQIPGHPZ-UHFFFAOYSA-N 414.509 5.331 0 40 HKAB CC(C)(C)c1ccc(C2=Nc3c(ccc4ccccc34)C(c3ccncc3)=NN2)cc1 6075428 RREMCTJXRYHRPM-UHFFFAOYSA-N 404.517 5.966 0 40 HKAB O=C(CSc1ccc2c(c1)OCCCO2)Nc1ccccc1Cc1ccccc1 6436751 BFOMVUSWJLFUIH-UHFFFAOYSA-N 405.519 5.170 0 40 HKAB Fc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)c3ccccc23)cc1 7979324 VKFYXGCOFLCDMJ-UHFFFAOYSA-N 414.465 5.778 0 40 HKAB CCc1n[nH]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 8339216 CTTLMNYGGYBVGU-UHFFFAOYSA-N 409.342 5.133 0 40 HKAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21 8959669 YDTSJIAZFFOGQQ-UHFFFAOYSA-N 420.431 5.119 0 40 HKAB Cc1cc(NC(=O)c2cccc(Cl)c2Cl)cc(-c2nc3ccccc3o2)c1O 9134185 CBBQJUCQRVVZME-UHFFFAOYSA-N 413.260 6.068 0 40 HKAB O=C(CCc1ccc(-c2ccc(F)cc2)o1)Nc1ncc(Cc2ccccc2)s1 11666871 NESWLGJURQEZIS-UHFFFAOYSA-N 406.482 5.704 0 40 HKAB C[C@@H](NC(=O)c1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 12401939 HMWLFBYVOJPLTH-QGZVFWFLSA-N 406.913 5.516 0 40 HKAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(F)c(Cl)c3)c3ccccc3C2=O)c(C)c1 12651937 QSGVJPXZOOUMQZ-UYRXBGFRSA-N 420.871 5.736 0 40 HKAB CCCCc1nnc(-c2cc3ccccc3n2CC(=O)NCc2ccccc2Cl)o1 13961827 ZHLFINGBJOZKBH-UHFFFAOYSA-N 422.916 5.004 0 40 HKAB COc1cccc(C(=O)c2oc3cc(NC(=O)c4ccccc4F)ccc3c2C)c1 15729363 KRKMANKHPYXPST-UHFFFAOYSA-N 403.409 5.372 0 40 HKAB biogenic COc1ccc(-c2cs/c(=N\c3cccc4ccccc34)n2CCCO)cc1F 15931244 UVPSWBSSPSHRBP-BZZOAKBMSA-N 408.498 5.132 0 40 HKAB Cc1ccc(-n2nnnc2-c2cnc(C(C)C)nc2-c2cccc(C(F)(F)F)c2)cc1 16311572 WQHSABFHUVMAMJ-UHFFFAOYSA-N 424.430 5.237 0 40 HKAB O=Cc1cc(Br)c(OCc2ccc3ccccc3c2)c(Br)c1 16545827 RFSXQFHGCARLPL-UHFFFAOYSA-N 420.100 5.756 0 40 HKAB Cc1ccc(-n2c(SCC(=O)c3ccccc3Cl)nnc2-c2ccncc2)cc1 16789438 CKWXALNYBXPHOM-UHFFFAOYSA-N 420.925 5.266 0 40 HKAB Cc1ccc([C@@H](NC(=O)c2sc(-c3ccccn3)nc2C)c2cccs2)cc1 18212259 RZFDOXCENIVAOR-LJQANCHMSA-N 405.548 5.403 0 40 HKAB CCOc1ccccc1C(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27990105 DDNQOFQYNVQMGG-JOCHJYFZSA-N 414.505 5.137 0 40 HKAB Cc1ccnc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c1 28539677 FXDSRCZNFGSELM-UHFFFAOYSA-N 416.484 5.920 0 40 HKAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCC[C@@H]1c1nc2ccccc2s1 31393127 PYQGKGRKFUNUMC-GOSISDBHSA-N 421.497 5.387 0 40 HKAB O=C(Nc1ccc(Cl)cc1F)c1cnn(-c2ccccc2F)c1C(F)(F)F 32759147 QZHXBUFABMVKCB-UHFFFAOYSA-N 401.722 5.075 0 40 HKAB Cc1ccc(NC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc23)cc1F 32985800 LKBHQVSCGKCLFX-UHFFFAOYSA-N 404.416 5.506 0 40 HKAB COc1ccc([C@@H]2CC(=O)[C@H](c3ccccc3)[C@H](c3ccc(OC)cc3)N2C)cc1 36034323 WTVVWISEQLSDPA-RNXOBYDBSA-N 401.506 5.175 0 40 HKAB C[C@H](OCCCNC(=O)c1ccccc1SCc1cccs1)c1ccccc1 40050738 SDPCITSBZSBSJZ-SFHVURJKSA-N 411.592 5.938 0 40 HKAB Cc1cc(C)cc(Nc2nc(-c3sc(NC(=O)C(C)(C)C)nc3C)cs2)c1 40556471 JNDXUKVPHQQVJW-UHFFFAOYSA-N 400.573 5.920 0 40 HKAB Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 44933483 RVAJBFAJPVFQAP-INIZCTEOSA-N 405.369 5.391 0 40 HKAB Cc1cccc(NC(=O)COc2cccc(-c3noc(/C=C/c4ccccc4)n3)c2)c1 44974451 JUGWDBDYYBLXCW-BUHFOSPRSA-N 411.461 5.233 0 40 HKAB CCOc1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc23)cc1 49004729 FYGNAXHHBIAQBH-UHFFFAOYSA-N 404.514 5.097 0 40 HKAB CCOc1cc(CNc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 59056029 ZBQHECYEVPVBLN-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB O=c1c2ccccc2nc(SCc2cc(F)cc(F)c2)n1CCc1ccccc1 67259308 SUYVUZOTGRSPLQ-UHFFFAOYSA-N 408.473 5.210 0 40 HKAB Cc1cc(-c2cnc(SCC(=O)c3ccc(Cl)cc3)nc2-c2ccco2)on1 72342797 MVSSGAQRZAAXMU-UHFFFAOYSA-N 411.870 5.328 0 40 HKAB Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN(C(=O)c3scnc3C)C2)n1 72354037 KMANLPVOEVVLKB-NRFANRHFSA-N 405.567 5.074 0 40 HKAB O=C(Cc1ccsc1)N1CCC[C@@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 72396406 QRHBCTUOYUEAIK-LJQANCHMSA-N 401.535 5.240 0 40 HKAB O=C(c1cnc(-c2ccsc2)s1)N1CCCCC[C@@H]1C[C@@H](O)c1cccs1 79066540 ZXPDDHFMGLRFLX-HZPDHXFCSA-N 418.609 5.442 0 40 HKAB CC(C)n1cnc2c(-c3cccnc3)nc(C3CCN(Cc4cccs4)CC3)cc21 96100007 MQSRMLLAKDKWTM-UHFFFAOYSA-N 417.582 5.515 0 40 HKAB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@H]1c1ccco1 100429248 YHEYBFZIYBBNIO-WXTAPIANSA-N 412.489 6.240 0 40 HKAB Cc1ccc(NC(=O)COC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)cc1 102166381 REEPGYVYQRKLKO-XCGOXOSTSA-N 403.522 5.015 0 40 HKAB CC1(C)CC2=Nc3ccccc3N[C@@H](/C(Br)=C/c3ccccc3)C2=C(O)C1 103943785 SHRSGOCRAUCRAD-FPIZWNAKSA-N 423.354 6.621 0 40 HKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc4cc(O)ccc34)o2)cc1C 107741310 MQQMJGHTUFNEKY-UHFFFAOYSA-N 416.502 5.549 0 40 HKAB Cc1cccc(CSCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 222740473 SVURMBRHSYXXMJ-UHFFFAOYSA-N 405.607 6.335 0 40 HKAB O=S(=O)(Cc1ccc(Br)cc1)Nc1ccc2c(c1)oc1ccccc12 224185516 HUXGTHQXAIQIAA-UHFFFAOYSA-N 416.296 5.290 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)c1 224232152 XLVDLNAXIUHLTF-DHIUTWEWSA-N 404.583 5.566 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1c1ccc(Cl)cc1 224453702 LNCLMVBRMVAPGT-IRXDYDNUSA-N 406.363 5.627 0 40 HKAB Cn1c(=O)sc2cc(NC(=O)c3ccc(OCc4ccccc4Cl)cc3)ccc21 225047681 OOYBYEYJUPSYHT-UHFFFAOYSA-N 424.909 5.085 0 40 HKAB FC(F)(F)c1cc(NC(=S)NC(c2ccccc2)c2ccccc2)ccc1Cl 225518777 KIWNHFSTIWKUFY-UHFFFAOYSA-N 420.887 6.435 0 40 HKAB CCc1ccc(NC(=O)c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 408551084 AWONAWQFWZJKBE-UHFFFAOYSA-N 409.913 6.051 0 40 HKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cc(C)ccc1C 409377122 DVOCENAXOUSBDG-UHFFFAOYSA-N 418.537 5.558 0 40 HKAB COc1ccc(C[C@H](C)C(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1 530458492 QAXAMCLTLKRNRC-SBUREZEXSA-N 421.516 5.157 0 40 HKAB O=C(CCC1CCC1)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643575280 BGFYKUUVSQRQMZ-UHFFFAOYSA-N 408.542 5.736 0 40 HKAB CCc1cc2c(c3c1CCCC3=O)CC1(C2)Cc2cc(CC)c3c(c2C1)C(=O)CCC3 1855343 AJJGJFZGWRUKCQ-UHFFFAOYSA-N 412.573 5.733 0 40 HKAB Nc1c(C(=O)c2ccc(Br)cc2)sc2nc3c(cc12)CCCCCC3 2151821 ZRBDVDONPGOVGA-UHFFFAOYSA-N 415.356 5.531 0 40 HKAB Clc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2-c2ccccc2)cc1 2257492 YLJLNXLJUGDVRI-UHFFFAOYSA-N 406.916 7.731 0 40 HKAB COc1ccc2c(c1)-c1c(ss/c1=N\c1cccc3ccccc13)C(C)(C)N2 2260658 YEPQUHJYLNNPON-GYHWCHFESA-N 404.560 6.531 0 40 HKAB Cc1ccc(S(=O)(=O)N2c3cc(C)ccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 2294545 FBKSZNCOVVVBQI-AREMUKBSSA-N 419.590 5.987 0 40 HKAB Cc1ccc(OCc2nc3c4c5c(sc4ncn3n2)C[C@@H](C(C)(C)C)CC5)cc1 2404742 VTUBDTGCSGPJGT-HNNXBMFYSA-N 406.555 5.377 0 40 HKAB COc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(C)cc2)cc1 2440819 AYEHJFKXKLTNSS-UHFFFAOYSA-N 421.953 6.197 0 40 HKAB CCCCc1ccc(NC(=S)Nc2ccc(Sc3cc(C)ccc3C)cc2)cc1 2644025 MRHBQXJBGSQSHX-UHFFFAOYSA-N 420.647 7.606 0 40 HKAB Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)COc1ccc(Cl)cc1 2972408 PUPBKTCTZPMGRB-UHFFFAOYSA-N 409.898 5.338 0 40 HKAB CC(C)COc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 3628446 WTDANVROSWPBKH-XMMPIXPASA-N 422.550 5.037 0 40 HKAB Cc1ccccc1Cn1c([C@@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 4033401 ICBHHTNAUZESTL-JOCHJYFZSA-N 409.533 5.530 0 40 HKAB O=C(Nc1ccc(Cl)cc1)N(Cc1nnc2n1CCCCC2)c1cccc(F)c1 4518101 KBCXYMYDJUSGGW-UHFFFAOYSA-N 413.884 5.036 0 40 HKAB O=C(Nc1ccc(Br)cc1)C1[C@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 4524958 IHGXONDQOAQJQW-RRIFHVCJSA-N 403.147 5.244 0 40 HKAB CC[C@@H]1[C@@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)C)cc1 4663676 WOCICPKRZGZPEY-CMTYHFORSA-N 412.577 7.038 0 40 HKAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(C(C)C)cc2)cc1 4681210 RZGKDCZAABGAGF-UHFFFAOYSA-N 422.550 5.196 0 40 HKAB CCCSc1nc2c(c(=O)n1CCc1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 5024569 RNXULDUPBBOQQC-SANMLTNESA-N 418.606 5.879 0 40 HKAB CCOc1cccc2sc(N(Cc3ccccn3)C(=O)CCc3ccccc3)nc12 5264890 UVDRNPRLUFFAFG-UHFFFAOYSA-N 417.534 5.256 0 40 HKAB COc1cccc(C(=O)Nc2c(-c3cccc(Cl)c3)c(=O)c3ccccc3n2C)c1 5348972 WKJKXXSORFXRFS-UHFFFAOYSA-N 418.880 5.120 0 40 HKAB COc1ccc(-c2nc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3)sc2C)cc1 6217510 HHQUBKKCZMOMCI-LBPRGKRZSA-N 402.903 5.187 0 40 HKAB CCN1CCC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3CC[C@H]12 6594337 GJKMOUKNSOUERC-NQYNQPTQSA-N 401.723 7.792 0 40 HKAB Cc1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c(C)s1 7790982 YNMIRXRCTQKCEL-UHFFFAOYSA-N 408.552 5.415 0 40 HKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)cc1C 7814513 UTWZUYXQAQAVGV-UHFFFAOYSA-N 414.534 5.282 0 40 HKAB COCCOC(=O)c1c(C)n(Cc2ccccc2Cl)c2c1cc(O)c1ccccc12 8782975 HNOSTIQCHMQMOH-UHFFFAOYSA-N 423.896 5.313 0 40 HKAB biogenic,in-vitro CCc1ccc(N(C(C)=O)c2nc(CN(Cc3ccc(F)cc3)C3CC3)cs2)cc1 8937262 RERWXMYDDICIKD-UHFFFAOYSA-N 423.557 5.694 0 40 HKAB COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 9467223 SMAATORRTNOZBK-GFCCVEGCSA-N 422.337 5.307 0 40 HKAB Cc1cccc([C@@H]2CC(O)=Nc3c2c(-c2ccccc2)nn3-c2nc(C)cc(C)n2)c1 9531616 ZCZUWMIFSKSWSB-FQEVSTJZSA-N 409.493 5.378 0 40 HKAB Cc1ccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(Cl)c1 9876728 GFAPIXUXIQFTAW-UHFFFAOYSA-N 414.789 5.474 0 40 HKAB O=C(c1ccc(Cl)s1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 10187650 BFXNMURPINHREZ-UHFFFAOYSA-N 421.881 5.531 0 40 HKAB Cc1ccc(-c2ccc(CCC(=O)Nc3ncc(Cc4ccccc4)s3)o2)cc1 11690452 HDCVEEBYVMHKDF-UHFFFAOYSA-N 402.519 5.874 0 40 HKAB CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3cccc(C)c3)c2)cc1 12860678 VHBFQPWPGUIFDJ-ZZIIXHQDSA-N 413.517 6.665 0 40 HKAB biogenic Cc1cccc(COc2ccccc2C(=O)Nc2c(C(C)C)cccc2C(C)C)c1 13075300 HWOARCCMHWFQPG-UHFFFAOYSA-N 401.550 7.073 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)COc3ccccc3)c2)cc1 13625473 WHDSASDOLGFNPA-UHFFFAOYSA-N 402.494 5.254 0 40 HKAB O=C(NCCCc1nc2ccccc2n1CCCOc1ccccc1)C1CCCCC1 13828272 QGQDUNYIRIMZDE-UHFFFAOYSA-N 419.569 5.135 0 40 HKAB CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 15657762 VDZDKQBSTYNFGG-BNPPXZMESA-N 404.591 5.529 0 40 HKAB Cc1ccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)c(C)c1 16841061 GSGQMNNAOLJCKK-UHFFFAOYSA-N 417.328 5.452 0 40 HKAB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)Cc4ccccc4)c3)nc2c1 17090371 JKSUCHUDXLIHAJ-UHFFFAOYSA-N 415.518 5.167 0 40 HKAB Clc1ccc(C2N[C@H](c3ccc(Cl)cc3)N[C@H](c3ccc(Cl)cc3)N2)cc1 19319568 TZKQOBKGRGRBAE-UHFFFAOYSA-N 418.755 5.825 0 40 HKAB Cc1nc([C@]2(O)CCCN(CC(C)C)CC2)sc1CCOc1ccc(Cl)cc1 19705444 GINWYIIIWYHLBB-QFIPXVFZSA-N 423.022 5.056 0 40 HKAB c1ccc(CCOc2cccc(NCc3ccccc3OCCc3ccccc3)c2)cc1 19737471 ZPERCMBVKUXNGI-UHFFFAOYSA-N 423.556 6.542 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)c4ccc(OC)c(Cl)c4)ccc3o2)c1 21579090 KLLCTGCOMBENOL-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB CSc1ccc([C@@H](C)NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1 22246158 PYOCLDAWHIPNKW-GFCCVEGCSA-N 401.532 5.547 0 40 HKAB CN1CCN(CC[C@H](Oc2ccccc2OCc2ccccc2)c2ccccc2)CC1 22459472 VLFRFTIUJYIZDW-VWLOTQADSA-N 416.565 5.023 0 40 HKAB O=C(CNc1ccc2c3c(cccc13)CC2)Nc1ccc(Cl)cc1C(F)(F)F 28651643 VGJXDWUBVQLBPK-UHFFFAOYSA-N 404.819 5.661 0 40 HKAB C[C@H]1C[C@@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2c(Cl)cccc2Cl)o1 30368803 KWCYLUSMAWXRSJ-FZMZJTMJSA-N 400.327 5.063 0 40 HKAB C[C@@H](NC(=O)CCCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1Cl 32485685 WFPKGLHOIMUCLD-CYBMUJFWSA-N 404.297 5.244 0 40 HKAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1cccc(Cl)c1F 32578563 FPDNUFKZDOHQOR-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB Cc1ccc(-c2noc(COc3ccccc3C(=O)NCCC3=CCCCC3)n2)cc1 32579124 ZWXKLYPDYLRVLA-UHFFFAOYSA-N 417.509 5.244 0 40 HKAB O=c1c2ccccc2nc(SCc2nccn2Cc2ccccc2)n1C1CCCC1 32778942 PGTLNCFQKZCUBW-UHFFFAOYSA-N 416.550 5.049 0 40 HKAB COc1ccccc1/C=C1/CCC[C@@H]2C1=NN(c1ccccc1)[C@@H]2c1ccccc1OC 33579069 XBAGCNXOKBXQSH-GDZPHDFSSA-N 424.544 6.505 0 40 HKAB Fc1ccccc1-n1ncc2c(C(F)(F)F)cc(-c3cccc(OC(F)F)c3)nc21 36616282 CLSRHLUAKQEVRM-UHFFFAOYSA-N 423.316 5.847 0 40 HKAB COc1ccc([C@H]2CCCN2C(=O)Nc2c(C)cc(Br)cc2C)cc1 40121691 BNTQGXKKQXWVNV-GOSISDBHSA-N 403.320 5.444 0 40 HKAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(CSc2ccccc2)cc1 44904697 SZUJMMUGCGCNFQ-UHFFFAOYSA-N 413.546 5.403 0 40 HKAB CC(C)N(CCc1ccc(O)cc1)C(=O)[C@@H](C)c1cccc(C(=O)c2ccccc2)c1 49582114 WLGHEZSFCNGLGM-FQEVSTJZSA-N 415.533 5.206 0 40 HKAB CC(C)(C)[C@@H](NCc1nc(-c2cc(Br)cs2)no1)c1cccs1 52861341 AAYAJVYFDVDMAG-AWEZNQCLSA-N 412.378 5.499 0 40 HKAB O=C(Nc1ccccc1)c1ccc(CN2CCC[C@H]2c2nc3ccccc3s2)cc1 58160499 QXWHFCWESFVDSX-QFIPXVFZSA-N 413.546 5.886 0 40 HKAB Cc1ccc(NCn2nc(CSc3nc4ccccc4s3)oc2=S)cc1 59474378 FWTMJLYVHSPCNH-UHFFFAOYSA-N 400.554 5.486 0 40 HKAB CCCCc1ccc(NC(=O)CSc2nccn3nc(-c4cccs4)cc23)cc1 67290213 SEHCUROKMIETAE-UHFFFAOYSA-N 422.579 5.531 0 40 HKAB O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccc(C(F)(F)F)cc1 67296120 BXCBPUKSTRKSLD-BWAHOGKJSA-N 415.396 5.393 0 40 HKAB CN(CCCC(=O)N1CCC[C@H]1c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 72380416 OJWXPBKVXWXPHK-QFIPXVFZSA-N 422.960 5.310 0 40 HKAB C[C@@H]1CC2=NC(Nc3nc4ccccc4o3)=N[C@H](c3cc(F)cc(F)c3)C2=C(O)C1 102664280 LZJXPHSQOZHITC-BIBXISHDSA-N 408.408 5.312 0 40 HKAB Cc1cccc(C(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c1 104340204 LESODKSUJMNYTG-UHFFFAOYSA-N 410.560 8.509 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2cccc3ccccc23)cc1 205613079 BXNDUZJCNYMFRM-KQWNVCNZSA-N 412.514 5.619 0 40 HKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 214425154 PBIBZEMOUCORNV-BUHHDHKDSA-N 404.318 6.176 0 40 HKAB CC(C)Cc1ccc2c(N)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)sc2n1 215735740 UGWXPIZPXTXVGM-UHFFFAOYSA-N 409.433 5.228 0 40 HKAB O=C(COc1cccc2ccccc12)Nc1cc(Cl)ccc1Oc1ccccc1 218910108 LQKKVLHCALLBRL-UHFFFAOYSA-N 403.865 6.303 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccc(C)cc1 224123613 UGDVDAXQZQAWPE-UHFFFAOYSA-N 415.411 5.854 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2C)cc1COc1ccccc1C(C)(C)C 224508555 MMEXAAVIKBYDAX-UHFFFAOYSA-N 417.549 6.523 0 40 HKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1CN1CCCCC1 224806303 WFRFFRCYGIFGFK-KRWDZBQOSA-N 402.991 5.123 0 40 HKAB Cc1ccc(NC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)cc1Cl 224876838 MXIIDGSQXABFDH-UHFFFAOYSA-N 419.706 5.637 0 40 HKAB C[C@H](NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1)c1ccc(F)cc1 224882496 ZZGGDZYJNJBSLC-ZDUSSCGKSA-N 417.278 5.053 0 40 HKAB COC(=O)c1c(NC(=O)CCc2c(Cl)cccc2Cl)sc2c1CCCC2 225351242 MIARVYKZRGPTQW-UHFFFAOYSA-N 412.338 5.292 0 40 HKAB O=C(Nc1ccc(OCCCN2CCCC2)cc1)C1(c2ccccc2F)CCCC1 225516271 CILSZXGCAOSVOG-UHFFFAOYSA-N 410.533 5.141 0 40 HKAB CCCO[C@@]1(C(=O)Nc2ccc(OCCN3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 225663199 KIZABORJMJDYAW-CZSZKKDXSA-N 416.606 5.254 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c2ccccc12 225679557 OJZYCGDWDRRZNZ-FQEVSTJZSA-N 401.550 6.776 0 40 HKAB Cc1cccc(CCC2(NC(=S)Nc3ccc(Br)cc3)CCCC2)c1 225846451 SBYWESHKYSWEKY-UHFFFAOYSA-N 417.416 5.990 0 40 HKAB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1cccc2c(Br)cccc12 226366049 STNZGCDBSXTDOV-UHFFFAOYSA-N 408.251 5.252 0 40 HKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl 409180359 QZQRATDDIMXWKZ-HXUWFJFHSA-N 419.691 6.428 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 409315131 NKGKAVMYGMFACR-UHFFFAOYSA-N 421.871 6.903 0 40 HKAB CCCCN1C(=O)CC[C@H](c2nc(-c3ccccc3F)no2)[C@@H]1c1ccc(OC)cc1 545595494 SVOVPANIXJMURL-UGKGYDQZSA-N 423.488 5.132 0 40 HKAB Cc1ccccc1C(=O)N1CCCCCCCN(C(=O)CC(C)C)c2ccccc2C1 643588495 GHKMYVJDOUHQSR-UHFFFAOYSA-N 420.597 5.981 0 40 HKAB O=C(O)c1ccc(C(=C(c2ccccc2)c2ccc(C(=O)O)cc2)c2ccccc2)cc1 1857775989 MTTUYJXPONEHGK-UHFFFAOYSA-N 420.464 6.090 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C(C)C)c1 858102 QCYMNUWICDVLQN-VWLOTQADSA-N 414.549 5.215 0 40 HKAB CCn1c(S[C@@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1cccc(C)c1 917263 MCFZANDQGNYCDD-KRWDZBQOSA-N 416.550 5.546 0 40 HKAB COc1ccccc1OCC(=O)Nc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1 1175658 KLUVGZHUBHFVLC-UHFFFAOYSA-N 423.472 5.409 0 40 HKAB Cc1nc(C(=O)Nc2cccc(Cl)c2Cl)nn1-c1cc(Cl)cc(Cl)c1 1385741 XUVURDOJTGIHLP-UHFFFAOYSA-N 416.095 5.442 0 40 HKAB c1ccc2cc(Oc3nnc(Oc4ccc5ccccc5c4)c4ccccc34)ccc2c1 1746567 GTOATMUZCWCCGL-UHFFFAOYSA-N 414.464 7.521 0 40 HKAB CCOC(=O)c1c(NC(=O)CCCOc2cccc(C)c2)sc2c1CC[C@H](C)C2 1773763 ZTZAGQNUBXURLU-INIZCTEOSA-N 415.555 5.156 0 40 HKAB CC[C@H](C)OC(=O)COc1ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)coc2c1 1915049 JMJQZSJOBVPLRY-INIZCTEOSA-N 424.493 5.603 0 40 HKAB COC(=O)COc1ccc(-c2nnc(Nc3cccc(Cl)c3)c3ccccc23)cc1 2348577 ODOZIYSLZQHMNS-UHFFFAOYSA-N 419.868 5.246 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cc2c(s1)CCCC2 3230868 YVXGTVDUFGXGEN-UHFFFAOYSA-N 408.489 5.888 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@H](C)Cc3cccs3)cc12 3231514 NQRBVHPITKDVKG-GFCCVEGCSA-N 415.971 5.471 0 40 HKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1Br 3242339 PUMVFCZRRCDVOX-UHFFFAOYSA-N 409.279 5.007 0 40 HKAB O=S(=O)(Nc1ccc(Cl)cc1)c1cccc(-c2nc3ccccc3s2)c1 3265652 PMPDFEZUCLYQCH-UHFFFAOYSA-N 400.912 5.418 0 40 HKAB O=C(c1ccc(F)cc1)c1ccc(Oc2ncnc3sc4c(c23)CCCC4)cc1 3283995 QPDCPFMVYNRALB-UHFFFAOYSA-N 404.466 5.733 0 40 HKAB CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 3323484 HJGKWRBNYDNAKN-UHFFFAOYSA-N 420.409 6.862 0 40 HKAB Cc1ccc(NC2(c3nnnn3-c3ccccc3C)CCC(C(C)(C)C)CC2)cc1 4043056 VFJQLCOUOJNRQT-UHFFFAOYSA-N 403.574 5.823 0 40 HKAB C[C@@H]1C[C@H](OC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]2C=C(Cl)C=C[C@@H]2S1 4110326 PCCPROCGFPNVMC-BWAGICSOSA-N 403.853 5.825 0 40 HKAB NC(=O)c1oc2ccccc2c1NC(=O)c1cc(-c2cccs2)nc2ccccc12 4135088 YTDXJHCNNOPAIW-UHFFFAOYSA-N 413.458 5.061 0 40 HKAB CCc1ccc(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)s1 4200746 MRMJVHJAFMWLGU-UHFFFAOYSA-N 415.565 5.091 0 40 HKAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccc(Cl)c(Cl)c1 4592231 QRDZFVIBUIAYIK-UHFFFAOYSA-N 405.325 6.626 0 40 HKAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(Cl)c2)n2c(nc3ccccc32)N1 4767908 LJSSNWWFNLGVMR-JOCHJYFZSA-N 421.928 5.855 0 40 HKAB COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)C(C)(C)C)c3ncnn32)cc1 4816801 ZTFCACHHKVYBFZ-UXHICEINSA-N 424.932 5.054 0 40 HKAB O=C(C1CC1)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@H]1c1ccc(Cl)cc1 4816856 TWVWGGQUOKWNDB-RBUKOAKNSA-N 413.308 5.062 0 40 HKAB O=C(C[C@@H](c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 4893661 LGMKWCSIDYDXHH-VWLOTQADSA-N 400.499 5.628 0 40 HKAB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)no1 5246340 NXMNNMNXEJQWPM-NRFANRHFSA-N 414.461 5.137 0 40 HKAB c1ccc(-c2nnc(SCc3cccc4ccccc34)nc2-c2ccccc2)cc1 5990047 PYWFLIUTVUVSIM-UHFFFAOYSA-N 405.526 6.651 0 40 HKAB COc1ccccc1/C=C(/C(=O)OCc1nnc(-c2ccccc2)o1)c1ccccc1 5991971 DQUIHWIVINFSTR-LTGZKZEYSA-N 412.445 5.029 0 40 HKAB COc1cccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)c1 6617009 PSXBMCBPTJDNNK-UHFFFAOYSA-N 416.477 5.888 0 40 HKAB CCc1cccc2c(SCC(=O)Nc3ncc(C)s3)nc(-c3ccccc3)nc12 6860558 AFLDSYZWVRENND-UHFFFAOYSA-N 420.563 5.355 0 40 HKAB CCOc1cc(CNCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 7538373 OSMSXYCZRSVBAU-UHFFFAOYSA-N 411.929 5.616 0 40 HKAB Cc1c(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)oc2c(F)cccc12 7987728 JVCSDAARDHBHSB-AWEZNQCLSA-N 410.470 5.316 0 40 HKAB COc1cc(-c2nc3ccccc3s2)ccc1OC(=O)c1cccc2ccccc12 8112636 ZMVSJJQDJSVPJE-UHFFFAOYSA-N 411.482 6.344 0 40 HKAB CCOc1c(Br)cc(Br)cc1CN[C@@H](C)c1ccccc1 8253323 XDNYLCKMTFWZDQ-LBPRGKRZSA-N 413.153 5.461 0 40 HKAB CN(C(=O)c1ccc(Cl)cc1Cl)c1ccccc1C(=O)NCc1ccccc1 8375282 GXFOKKAPAGZXSZ-UHFFFAOYSA-N 413.304 5.200 0 40 HKAB O=C(Nc1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1)c1ccccc1 8434724 OWOBCKSBCYPJKZ-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB CCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3)n2)nc2ccccc21 8862386 OIYHMVFRLFZOGK-UHFFFAOYSA-N 422.579 5.798 0 40 HKAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)cc1 9063126 YDNLYFSTNABRSK-UHFFFAOYSA-N 414.549 5.425 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1 9139512 LEALQKMHVJSYMS-UHFFFAOYSA-N 424.913 5.260 0 40 HKAB Cc1nc2sccn2c1C(=O)c1ccc(NC(=O)c2cc3ccccc3s2)cc1 9219923 MAVITYCXQCWNLG-UHFFFAOYSA-N 417.515 5.402 0 40 HKAB Cc1ccc(COc2ccccc2/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1 9434980 QUTKNXOWMCJTQF-STZFKDTASA-N 403.865 5.572 0 40 HKAB O=C(CSc1nc2ccc(Cl)cc2[nH]1)Nc1ccc(Cl)cc1C(F)(F)F 9714438 JJNUCNZRMBHMFX-UHFFFAOYSA-N 420.243 5.619 0 40 HKAB Cc1ccc(NC(=O)CSc2nc3ccccc3nc2-c2ccccc2)cc1Cl 12138986 WJSWYJHTAQDDQK-UHFFFAOYSA-N 419.937 5.989 0 40 HKAB CCOC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C(C)C)cc1 12413415 ODNXENUOGDOEKS-UHFFFAOYSA-N 415.946 5.366 0 40 HKAB Cc1nc(-c2ccc(CNC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)o2)cs1 12619122 WMOWNQYRBWIFIZ-JTQLQIEISA-N 411.310 5.102 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2nc(-c3cccs3)cs2)cc1OCC 12644807 HNSKTFOIECIQJY-UHFFFAOYSA-N 422.959 5.965 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)sc2c1CCCC2 13146160 NTFNZDDVHFTDNB-LBPRGKRZSA-N 423.987 5.576 0 40 HKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 13709430 FMHVKTCPEDZODB-LJQANCHMSA-N 416.521 5.262 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1[C@@H](C)Oc1ccccc1 13850075 ATBYMBMREZRSDF-QGZVFWFLSA-N 424.570 5.292 0 40 HKAB Cn1c(-c2ccccc2)c([C@H]2c3ccccc3C(=O)N2C[C@@H]2CCCO2)c2ccccc21 13942404 XXIOKGIROTXMJU-CCLHPLFOSA-N 422.528 5.570 0 40 HKAB Cc1nc(-c2ccc(CNC(=O)Cc3csc(-c4ccsc4)n3)s2)cs1 14198382 DKLKCUFHBMGGCW-UHFFFAOYSA-N 417.606 5.224 0 40 HKAB CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)o1 15881591 UEJQNACWJRRYEL-UHFFFAOYSA-N 408.889 5.182 0 40 HKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 17092130 HUCVGVQDYDXDJZ-UHFFFAOYSA-N 420.378 5.468 0 40 HKAB C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)Nc1ccc(C(C)(C)C)cc1 17983373 AKZUGRZPPUUUFC-CYBMUJFWSA-N 416.572 5.160 0 40 HKAB COc1cccc(-c2cccc(CNc3ccc([C@@H]4CCc5nncn5C4)cc3)c2)c1 19699166 MXHJVKQGVCKTAO-HSZRJFAPSA-N 410.521 5.296 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccccc2Cl)cc1OCC 20451572 YYQYEPUMHXDFKP-QAPCUYQASA-N 405.922 5.172 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1Cl 20454497 MDXPIJOJHFACES-QGZVFWFLSA-N 412.338 5.680 0 40 HKAB Fc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4cccc(Cl)c4)c3c2c1 21017468 PHDQQUWXIUTJGC-UHFFFAOYSA-N 408.263 6.687 0 40 HKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 21579400 XWDQKGYSVBGXJW-MRXNPFEDSA-N 416.477 5.933 0 40 HKAB Cc1cc(NC(=O)c2ccc3ccccc3c2)cc(C)c1I 21595427 IDJZLFSTZAJCQI-UHFFFAOYSA-N 401.247 5.314 0 40 HKAB Cc1ccc(C)c(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C2=NCCCS2)c1 27525999 GVWPKQKXKKSGFY-UHFFFAOYSA-N 408.354 6.142 0 40 HKAB COc1cccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)c(C)nn23)c1 27585088 ADODTVRSONWMQZ-UHFFFAOYSA-N 406.489 6.124 0 40 HKAB CCCOc1ccc2ccccc2c1CN(C)C(=O)c1ccc(-c2nc(C)no2)cc1 32906184 XGZCFZBMTHCYHP-UHFFFAOYSA-N 415.493 5.259 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCc1ccccc1 33534352 LOKLLUBOHNUFBN-UHFFFAOYSA-N 401.384 5.545 0 40 HKAB CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 36621755 KHWMMNOVUASODC-QBKAFTFFSA-N 419.609 5.639 0 40 HKAB COc1ccc(CN2CCCC[C@H]2C[C@H](NC(=O)CC(C)(C)C)c2ccccn2)cc1 36734735 LZRSCGNUDVLUTL-URXFXBBRSA-N 423.601 5.129 0 40 HKAB CCc1cc2c(-c3ccccc3)cc(=O)oc2c2c1OCN(Cc1ccc(C)cc1)C2 55393858 DMEIMJVJUQKSFO-UHFFFAOYSA-N 411.501 5.683 0 40 HKAB aggregator Cc1cc2c(s1)c1cnn(Cc3ccc(F)cc3)c(=O)c1n2Cc1ccc(F)cc1 57720385 HVUJEKIZXSSPND-UHFFFAOYSA-N 421.472 5.096 0 40 HKAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4cscn4)C3)c(-c3ccncc3)c2c1 72396631 OMOXHYWXGFJGBL-QGZVFWFLSA-N 402.523 5.015 0 40 HKAB Cc1ccc(C(C)C)cc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc12 95945977 OQNGHMUQFRVISK-UHFFFAOYSA-N 410.322 5.741 0 40 HKAB O=C(NCc1cccc(Oc2ccccn2)c1)C1c2ccccc2Oc2ccccc21 96104537 SKGRDXIZDWFWLE-UHFFFAOYSA-N 408.457 5.428 0 40 HKAB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1nc(-c3ccc(C)c(C)c3)cs1)[C@H]2C(=O)O 102246394 AIKRVADVIYMACM-SMOSDQRPSA-N 410.539 5.059 0 40 HKAB COc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@H]2C3(Cl)Cl)cc1 103671142 PRQMJZPVAVTUSA-YPAWHYETSA-N 415.291 6.058 0 40 HKAB C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2 106672066 YRHOVLVBPQGPQJ-NIRMNWTQSA-N 419.956 5.747 0 40 HKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Cl)c1C 107609159 OCRSMYUBJCYDLO-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccccc1Cl 107678936 RLPQLWIKBLLIHI-UHFFFAOYSA-N 408.354 5.111 0 40 HKAB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2F)C1=O 214350765 GGBXWWFJNYOAHM-FYJGNVAPSA-N 407.466 5.614 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1Cl 216462179 UOMWLGRDYICPND-UHFFFAOYSA-N 407.897 5.554 0 40 HKAB Cc1cc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1Br 218820823 ISOHMTRQICCQTL-UHFFFAOYSA-N 424.338 5.365 0 40 HKAB S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1ncc(Cl)cc1Cl 223975331 SPHWOORDQCLGEE-UHFFFAOYSA-N 414.789 5.840 0 40 HKAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225739340 KAMVYTHOCWZQRY-YKSBVNFPSA-N 404.595 5.111 0 40 HKAB Cc1cc(N)c(NC(=O)c2cccc(Br)c2)cc1N1C[C@H](C)C[C@@H](C)C1 226330219 NYFHIOPEYBDJOT-ZIAGYGMSSA-N 416.363 5.074 0 40 HKAB CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2C)c(Br)c1 226340815 ROODUCIIXSVNJA-CMDGGOBGSA-N 409.707 5.566 0 40 HKAB CN(Cc1ccccc1)[C@@H]1CCC[C@@H](Nc2ccccc2Oc2ccccc2)[C@@H]1O 257233639 GQBRJDWBBGEWTN-MZKUHISZSA-N 402.538 5.305 0 40 HKAB CCCCc1ccc(C[C@@]2(C)CCc3cccc(-c4cccc(C(=O)O)c4)c3O2)cc1 257270913 MWDZJKVPAUHZDI-MUUNZHRXSA-N 414.545 6.721 0 40 HKAB CCOc1cc(C(=S)NCc2ccccc2)ccc1OCc1ccccc1Cl 408577665 UESWVZJETKVMGB-UHFFFAOYSA-N 411.954 5.783 0 40 HKAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCCC1 408702923 KCVPACJZZPMREK-UHFFFAOYSA-N 414.933 5.154 0 40 HKAB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)C1=O 409103969 HYJZZIYWRVHKJZ-WOJGMQOQSA-N 417.914 5.292 0 40 HKAB COc1cc(CNc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 409117183 WUOVQIRYKSXCFL-UHFFFAOYSA-N 416.348 6.810 0 40 HKAB Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccncc1 409192471 DATHXEZKUGZQIE-XDHOZWIPSA-N 409.898 5.383 0 40 HKAB CN(C)c1ccc(-n2cccc2/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 409211747 OCURZBCNFGZGQL-XSFVSMFZSA-N 423.925 5.438 0 40 HKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3C)ccc2C)c1 409380486 FLSPJKKXFAKARH-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB CCOC(=O)c1c(-c2cccc3ccccc23)csc1NC(=O)c1ccoc1C 689032 PXVRDRLCFKWQGE-UHFFFAOYSA-N 405.475 5.899 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1scc2c1c(=O)oc1ccccc12 1036657 XVUXSGWUPBUOIS-UHFFFAOYSA-N 405.262 5.959 0 40 HKAB CCCN(C(=O)c1ccccc1Cl)c1nnc(-c2ccc(OCC)cc2)s1 1345553 NVYFHEJGPDZHGM-UHFFFAOYSA-N 401.919 5.314 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)Nc3ccc(F)cc3)cc2c1 1353141 IIYLOVNSTNTZGR-UHFFFAOYSA-N 415.468 5.210 0 40 HKAB S=c1sc2c(N3CCCC3)nc(-c3cccs3)nc2n1Cc1ccccc1 1425588 FBJQEYSAMQMQDG-UHFFFAOYSA-N 410.593 5.599 0 40 HKAB CCOc1ccc(-c2cc(C(=O)N3CCc4ccccc4C3)c3ccccc3n2)cc1 1456934 OJAORGDBJDRUCQ-UHFFFAOYSA-N 408.501 5.499 0 40 HKAB O=c1c(Oc2ccc3ccccc3c2)coc2cc(OCc3ccc(F)cc3)ccc12 1772386 SJTNEXDHTTUVIN-UHFFFAOYSA-N 412.416 6.457 0 40 HKAB Cc1ccc2c(c1)-c1c(sn(-c3cc(Cl)cc(Cl)c3)c1=S)C(C)(C)N2 1822358 AVNBILVAAYDCSN-UHFFFAOYSA-N 407.391 7.211 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2cc(C)ccc2C)sc(C)c1-c1ccccc1 1916456 WPTWQHGEIOGEAI-UHFFFAOYSA-N 423.534 5.535 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ncc(-c5ccccc5)o4)cc3)o2)cc1 2030244 FSUBUFBMTSEMGN-UHFFFAOYSA-N 421.500 7.023 0 40 HKAB O=C(Nc1cccc(OC(=O)c2cccc3ccccc23)c1)c1cccc2ccccc12 2069673 CTOVNXRCEJOOTL-UHFFFAOYSA-N 417.464 6.465 0 40 HKAB O=C(N[C@@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1cccs1 2368212 GCHXMYVVCYAXJR-LBPRGKRZSA-N 401.167 5.620 0 40 HKAB CCCn1nc(NC(=O)c2ccccc2Br)c2cc3ccc(C)cc3nc21 2401204 PPGKFFKWSFENHC-UHFFFAOYSA-N 423.314 5.318 0 40 HKAB Cc1cc(C)cc(N2C(=O)N(Cc3cc(C)ccc3C)c3ccccc3S2(=O)=O)c1 2715883 ILIRTEKURVXPPT-UHFFFAOYSA-N 420.534 5.256 0 40 HKAB Clc1ccccc1OCc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCC5)o1 2786335 TUDPLOJLHBMUBF-UHFFFAOYSA-N 422.897 5.320 0 40 HKAB Cc1ccc(C(=O)[C@@H](Sc2nnc(C)n2-c2ccccc2)c2ccc(C)cc2)cc1 3290757 IZVBEOGJKPPDTP-DEOSSOPVSA-N 413.546 5.909 0 40 HKAB CCn1c(SCC(=O)c2c(C)cc(C)cc2C)nnc1-c1ccc(C(C)(C)C)cc1 3312002 VWFFUNJVERDYDG-UHFFFAOYSA-N 421.610 6.163 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCc3ccc(C(C)(C)C)cc3)cc12 3327180 ONTCHQFWLLRFRU-UHFFFAOYSA-N 422.525 6.189 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2CCCc2ccccc2)CN1c1ccccc1F 4033455 PSCKUKHOENVTMQ-HXUWFJFHSA-N 413.496 5.329 0 40 HKAB Cc1cc2nc(-c3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3)oc2cc1C 4600618 WQXGDWNGIPSNGJ-UHFFFAOYSA-N 414.505 6.399 0 40 HKAB COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1OC 5165289 PBNYSYJKIPBZDR-UHFFFAOYSA-N 416.502 5.747 0 40 HKAB Cc1ccccc1-n1c(C)nnc1S[C@H](C)C(=O)c1ccc(Br)cc1 5619558 DRCIIDWAXQXNBH-CYBMUJFWSA-N 416.344 5.010 0 40 HKAB Cc1ccc(Cl)c(NC(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)c1Cl 6430127 YQIMLMPUAQGMDW-UHFFFAOYSA-N 410.341 5.390 0 40 HKAB O=C([C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1)N1CCCCC1 7088886 LQEICFAHQOSJAG-FQEVSTJZSA-N 418.522 5.064 0 40 HKAB O=C(NC1CC1)[C@@H](Sc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1 7111343 JEPGNCDIDYQZLN-FQEVSTJZSA-N 417.559 5.470 0 40 HKAB CC(=O)c1ccc(N(C(=O)/C=C/c2ccc(F)cc2)c2nc3ccccc3s2)cc1 7593668 PSHLXVZAEXXHFX-OVCLIPMQSA-N 416.477 6.016 0 40 HKAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCc3c(Cl)cccc3Cl)c2C1 8150681 VBYQELSJKRGHPF-CYBMUJFWSA-N 400.305 6.023 0 40 HKAB CCOc1cc(CNC2CCCC2)cc(Br)c1OCc1ccccc1 8254040 XJFJQZXOVSIISP-UHFFFAOYSA-N 404.348 5.459 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1C 8330619 AJLLZVOJCLSJJY-UHFFFAOYSA-N 404.491 5.541 0 40 HKAB Cc1c(CC(=O)Nc2ccccc2Cl)c(=O)oc2cc3c(cc12)CCC(C)(C)O3 8490975 OLOQFMKJZQIBBI-UHFFFAOYSA-N 411.885 5.040 0 40 HKAB biogenic Cc1occc1-c1nnc(S[C@H](C)C(=O)c2ccccc2)n1Cc1ccccc1 8936570 UZHSHIIFGVSIAK-QGZVFWFLSA-N 403.507 5.258 0 40 HKAB COc1ccc(CN(Cc2ccco2)C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 9204895 UXXJWVFUQCKELC-KRWDZBQOSA-N 413.901 5.246 0 40 HKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)c(F)c2)cc1C 9518405 BXQUPFMGMFQKRU-UHFFFAOYSA-N 420.415 5.832 0 40 HKAB O=C(NC1CCCC1)C1(Cc2ccccc2-c2coc3ccccc23)CCOCC1 12366505 GGSGPCJXZPAGSC-UHFFFAOYSA-N 403.522 5.498 0 40 HKAB Cn1cccc1[C@@H]1CCCCCN1C(=O)/C=C/c1csc(-c2ccc(F)cc2)n1 12801722 RQNPYGJRMKECME-IWGBCORSSA-N 409.530 5.445 0 40 HKAB CCOc1c(Cl)cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1OC 12976793 CSIYBTMTRODHIB-GFCCVEGCSA-N 404.919 5.190 0 40 HKAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(F)cc2)cc1 13097056 OZOFUIOLRGDEKP-OAHLLOKOSA-N 424.497 5.206 0 40 HKAB Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2Cl)cc1 13282017 FKKWIWDLGIJJCI-UHFFFAOYSA-N 409.251 6.082 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 13631125 NJXRSJXINLNHOI-KRWDZBQOSA-N 422.912 5.317 0 40 HKAB Cc1ccccc1C1=N/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)O1 13927489 QEFWIVYUUDFBJA-HMAPJEAMSA-N 403.865 5.572 0 40 HKAB O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(-c2ccc(Br)cc2)o1 13928055 UBGQXBUAYOZTOE-BOPFTXTBSA-N 412.214 5.193 0 40 HKAB Cc1cccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3ccccc3)C2=O)c1C 15412451 VVKVYKVUWMCNLK-HSZRJFAPSA-N 404.897 5.078 0 40 HKAB Cc1cc2oc(C(=O)N(Cc3ccc(Cl)cc3)C[C@@H]3CCCO3)c(C)c2cc1C 15832015 KXRPOLGVPVOQGF-FQEVSTJZSA-N 411.929 5.833 0 40 HKAB CCN(CC)c1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1 16598557 SKLLGOSSUKSCLH-UHFFFAOYSA-N 400.885 5.072 0 40 HKAB CCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)cc1 16752003 HKMVJMXBFPHMDV-QHCPKHFHSA-N 419.521 5.707 0 40 HKAB CCc1cccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)c1 16841110 IRXWPRIMWDRAIN-UHFFFAOYSA-N 417.328 5.397 0 40 HKAB Cc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1Cl 17088699 SBUDJJAVYIMDTF-UHFFFAOYSA-N 410.926 5.354 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 17093369 OEAKYNOLBXTAIO-UHFFFAOYSA-N 422.937 6.251 0 40 HKAB CC(C)c1ccccc1O[C@H](C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 20105330 NVIJDPXXRGWOPH-LJQANCHMSA-N 421.512 5.612 0 40 HKAB Cc1c(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cccc1C(=O)O 20151110 RXSJAHMFKBYODK-SOFGYWHQSA-N 416.260 5.912 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccccc2Cl)CC1 20611979 KDUKDODTZKIUHB-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB CC(C)c1ccc(NC(=O)c2cccnc2Nc2cccc(Br)c2)cc1 22072995 XVUKYYLHLWESTN-UHFFFAOYSA-N 410.315 5.963 0 40 HKAB CCc1sc(-c2nnc(CN3CCC[C@H](c4nc5ccccc5s4)C3)o2)cc1C 23989995 IAKIGQSZCOIEMI-HNNXBMFYSA-N 424.595 5.658 0 40 HKAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)c1ccc(C(C)(C)C)cc1 28229160 CBABCVBFMOXEED-UHFFFAOYSA-N 413.468 5.364 0 40 HKAB CC(C)c1ccc(OCC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 28287994 ZOZCNGHGSIPKIQ-UHFFFAOYSA-N 414.958 5.325 0 40 HKAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCC[C@@H]1c1ccc(Cl)cc1 30364750 GEPGYFWZIMGDKW-HXUWFJFHSA-N 409.917 5.061 0 40 HKAB Cc1cccc(NC(=O)N(CCc2nc3ccccc3[nH]2)Cc2ccc(F)cc2)c1 35291237 PJQRMMWVUOJEID-UHFFFAOYSA-N 402.473 5.287 0 40 HKAB Cc1ccc(-c2nc(NC(=O)c3cccs3)sc2NC(=O)c2ccco2)cc1 35671438 MYAGHZUERNNHEJ-UHFFFAOYSA-N 409.492 5.278 0 40 HKAB COc1ccccc1C(=O)Nc1ccccc1NC(=O)C1(c2cccs2)CCCC1 38488591 VADFRVKNVPYUJG-UHFFFAOYSA-N 420.534 5.460 0 40 HKAB O=C(CSc1nc2ccccc2n1Cc1ccccc1)NCc1ccc(Cl)cc1 41076896 SZAWCCHZDYBDPA-UHFFFAOYSA-N 421.953 5.147 0 40 HKAB CC[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(OC)cc1 44936485 YIZBLLGBTGKNPO-AREMUKBSSA-N 414.549 5.135 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1OC 49005059 UUBCXINATFVQFC-KRWDZBQOSA-N 404.514 5.095 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccccc1Cl 49005069 NDZMTBJRUPDQCE-MRXNPFEDSA-N 408.933 5.740 0 40 HKAB COc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(C)cn2)c1 67295186 HELQUOYLPBYHDM-RWEWTDSWSA-N 419.868 5.283 0 40 HKAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C)C1CCC1 72215499 BIOQAEWGTWQNDG-GOSISDBHSA-N 417.550 5.448 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1 72229968 PPPSLURBPXUUDL-QHCPKHFHSA-N 409.913 5.853 0 40 HKAB Cc1ccccc1C(=O)Nc1nc2ccccc2n1CCOc1ccc2ccccc2c1 95481311 BEVYVWYPNDHXIQ-UHFFFAOYSA-N 421.500 5.829 0 40 HKAB C[C@@H]1C[C@H]2CC[C@]1(NC(=O)CCCCC(=O)N[C@@H]1C[C@@H]3CC[C@]1(C)C3(C)C)C2(C)C 100497599 ISINGHVAECMBPX-RNIRUTJHSA-N 416.650 5.209 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@@H](c4ccc(O)cc4)C3=C(O)C2)cc1 102732394 XZFIRAAOFSCVMF-OPAMFIHVSA-N 402.450 5.305 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccccc1C(C)C 224230124 OCAQSMZKGCOSDZ-UHFFFAOYSA-N 411.448 5.928 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)NCc1ccc(CN2CCCCC2)cc1 224539502 RPTDYNLJKKKVDI-UHFFFAOYSA-N 405.369 5.228 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225750332 RWFCKOMORBZJCL-VWLOTQADSA-N 418.622 5.646 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C(C(=O)c1ccccc1)C(=O)c1ccccc1 226338487 MEJYXHVXOXPRNY-QIJUGHKUSA-N 406.522 5.372 0 40 HKAB Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(Cl)c1 227148212 IOIFYNYWSUFIQC-XBXARRHUSA-N 407.684 6.141 0 40 HKAB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccccc1F 408559673 AVSMTHNUGTUVAC-QOCHGBHMSA-N 419.319 5.188 0 40 HKAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccc(Br)cc1 408561377 INDHFACICFXNKA-QOCHGBHMSA-N 419.319 5.188 0 40 HKAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1cccc2ccccc12 408561954 MAFDNKSXBTZZHR-BZZOAKBMSA-N 406.938 6.093 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2cccc(Cl)c2)c1C 408696516 AJSQCOYQSZMLRD-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccccc2)cc1 408697623 IRKMBLOWXJQBRL-UHFFFAOYSA-N 418.884 5.239 0 40 HKAB COc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)cc3C)n2)c1 408699968 XWLNCNRQWPIMIA-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(C(C)C)ccc3OC)ccc21 408701012 PZEKNILCJXSXMA-UHFFFAOYSA-N 422.550 5.747 0 40 HKAB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OC(C)C 408902999 UBKJYXIBYPFYHO-GZTJUZNOSA-N 403.887 5.377 0 40 HKAB CC(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1 409057947 XBJFGBFONNJGCE-UHFFFAOYSA-N 406.570 5.598 0 40 HKAB Cc1ccc(Cl)cc1NCc1cc(Cl)ccc1OCc1cccc(Cl)c1 409120624 UVCWMVDXECLXLE-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1OCc1ccc(Cl)cc1Cl 409260949 YXSMBSQAYRIPBO-UHFFFAOYSA-N 416.329 6.858 0 40 HKAB COc1ccc(OC(C)C)c(-c2ccc(C(=O)O)c(COc3ccc(C)cc3C)n2)c1 585264908 BDOAAJMPWNJXPM-UHFFFAOYSA-N 421.493 5.438 0 40 HKAB CCCc1ccc(OCc2nc(CCC)c(-c3cccc(Cl)c3)cc2C(=O)O)cc1 585265217 IZMNPMRVMZCYGE-UHFFFAOYSA-N 423.940 6.584 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)c4cccc(Cl)c4Cl)ccc3o2)cc1 659033 SOYRMOXNTORATC-UHFFFAOYSA-N 413.260 6.063 0 40 HKAB COc1ccc2oc(=O)c(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)cc2c1 856352 XZJVWCUKWMRMME-UHFFFAOYSA-N 418.396 5.688 0 40 HKAB O=C(NCCc1ccccc1)c1ccc(Nc2ccc(Oc3ccccc3)cc2)nc1 1340913 AVOUXBFULOWNGG-UHFFFAOYSA-N 409.489 5.590 0 40 HKAB COc1ccccc1[C@H](CCNCc1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 1766193 FKTHLJZZSTWDLH-XMMPIXPASA-N 423.984 6.448 0 40 HKAB biogenic CCCCCOC(=O)COc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1 1770841 FOQBLWODTQNNOL-UHFFFAOYSA-N 400.858 5.226 0 40 HKAB CC(C)(C)c1ccc(OC(=O)c2cc3cc(Br)ccc3oc2=O)cc1 1771922 JIUIWVDZGNSPCS-UHFFFAOYSA-N 401.256 5.072 0 40 HKAB CC(C)(C)c1ccc(Oc2nc(-c3ccccc3O)nc3ccccc23)c(Cl)c1 1796597 WERUGNLSNCIGFJ-UHFFFAOYSA-N 404.897 6.746 0 40 HKAB Cn1c(SCCc2ccccc2)nc2sc3c(c2c1=O)CCc1ccccc1-3 1820949 AYNDXVINXWXIFQ-UHFFFAOYSA-N 404.560 5.095 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc2c(c1)oc1ccccc12 1862091 DGISEZAUASIXAA-RMKNXTFCSA-N 412.272 6.553 0 40 HKAB O=c1c(-c2ccc(Cl)cc2)coc2cc(OCc3cccc4ccccc34)ccc12 1940910 XUVUPYXMAZOCKV-UHFFFAOYSA-N 412.872 6.846 0 40 HKAB biogenic CCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(Oc2ccccc2)cc1)C3 2114662 GDFNYSLFEYJGJK-UHFFFAOYSA-N 413.473 5.894 0 40 HKAB biogenic C[C@H](c1ccc(-c2ccccc2)c(F)c1)c1nn2c(-c3ccccc3)nnc2s1 2183234 SZKMFTUYCOWZQU-OAHLLOKOSA-N 400.482 5.811 0 40 HKAB CSc1nc(SCc2ccc(F)cc2)c2c3c(sc2n1)COC(C)(C)C3 2238693 DMUAAIVPJCGSFV-UHFFFAOYSA-N 406.573 5.696 0 40 HKAB COc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)cc1 2497226 FFVNHLBXWDXVIO-UHFFFAOYSA-N 407.491 5.274 0 40 HKAB O=C(COC(=O)CCSc1ccccc1)Nc1ccccc1Sc1ccccc1 2619450 AHQXFZOPJGYYJY-UHFFFAOYSA-N 423.559 5.502 0 40 HKAB C[C@H](OC(=O)/C=C/c1ccc(Cl)cc1Cl)C(=O)c1ccc(C(C)(C)C)cc1 2637531 STVWLCPWXODUDF-BCNIOPEESA-N 405.321 6.119 0 40 HKAB Cc1ccc(S(=O)(=O)Oc2c(C(C)C)cc(Nc3ccccc3)cc2C(C)C)cc1 3012617 BEEVZCBWXRCDPD-UHFFFAOYSA-N 423.578 6.753 0 40 HKAB CCc1nc2ccccc2c(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c1C 3270060 RQVKODYASCUMLW-AREMUKBSSA-N 409.485 5.887 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)o1 3345476 GUVABWATEOHFPE-GJZGRUSLSA-N 411.527 5.378 0 40 HKAB Oc1ccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3ccccc3S2)cc1 4159304 DOTYQQWIPJLMIR-NRFANRHFSA-N 410.336 6.513 0 40 HKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)c1c[nH]c2ccccc12 4463055 NTHHXNLSIZVLAZ-UHFFFAOYSA-N 413.477 5.892 0 40 HKAB CCCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1 4731475 OBPWWVJCTZVVPA-QFIPXVFZSA-N 405.498 5.066 0 40 HKAB Clc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 5163714 QNIRSIRURLBZAG-CVDCTZTESA-N 404.853 5.311 0 40 HKAB Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)c(C(=O)c2ccccc2)c1 5193531 NFZOPGIGYPYRCT-UHFFFAOYSA-N 405.906 6.346 0 40 HKAB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)cc1OC 5215227 SCUTXQRXFFYAIA-FOVJLYNBSA-N 415.961 5.226 0 40 HKAB Oc1ccc(Cl)cc1-c1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 5266433 YDFPINWGBBVBEQ-UHFFFAOYSA-N 402.803 6.129 0 40 HKAB O=c1ccc(/C=C/c2ccc(Cl)cc2)c2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 5439832 MZDVZANXHUVURQ-CBRVVIGPSA-N 422.981 5.353 0 40 HKAB biogenic,in-vitro CC(C)c1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1 5460468 PDPKECKHHQQXIH-VWNXMTODSA-N 401.941 6.959 0 40 HKAB C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)N(C)Cc1ccccc1 6216698 JPAJXPSOCYDFCI-SFHVURJKSA-N 413.546 5.436 0 40 HKAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc2ccccc2c1Br 6218926 NWWSZLHAEWRRFF-INIZCTEOSA-N 412.327 5.119 0 40 HKAB C[C@H](Sc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ccc(N(C)C)cc1 6622882 LWLSDPUQZXVTJN-ZDUSSCGKSA-N 401.532 5.135 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)CCCc2nc3ccccc3s2)cc1OCC 6646591 FBJVFXAQVXYLDD-INIZCTEOSA-N 412.555 5.294 0 40 HKAB COc1ccc(-c2noc(CN(C(=O)Nc3ccccc3C)C3CCCCC3)n2)cc1 6743996 SEBHIMDHJKVLAE-UHFFFAOYSA-N 420.513 5.420 0 40 HKAB COc1ccccc1-c1cncnc1-c1ccc(OCc2ccc(Cl)cc2)cc1O 6758428 ZOSWIQGYHQVZGG-UHFFFAOYSA-N 418.880 5.757 0 40 HKAB biogenic CCc1ccccc1NC(=O)CSC1=NC2(CCCCCC2)Nc2ccccc21 6902002 IUDANZJJUOPSPW-UHFFFAOYSA-N 407.583 5.844 0 40 HKAB C[C@@H](NC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12)c1ccco1 7470405 BRIBBBSYKBCHFS-GFCCVEGCSA-N 413.499 5.060 0 40 HKAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 8193682 OVIOAEOBQRUWMQ-IBGZPJMESA-N 400.309 5.369 0 40 HKAB COc1cc(CNCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1 8470352 WZXSMENXWOCGPT-UHFFFAOYSA-N 420.940 5.741 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 8679783 HNLPDIIREFYMIY-UHFFFAOYSA-N 418.246 5.366 0 40 HKAB O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 8718785 CLVKDLNRVXKKOR-JOCHJYFZSA-N 413.521 5.160 0 40 HKAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cccc(C(F)(F)F)c1 9363749 QWQLOYJCXMKAAU-UHFFFAOYSA-N 423.268 6.450 0 40 HKAB COc1cccc(-c2nc(C)c(-c3ccc(SCc4ccccc4C)nn3)s2)c1 9578009 WKQNFUDCBVJDOS-UHFFFAOYSA-N 419.575 6.185 0 40 HKAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc2ccccc2c1 10314899 FJOZDSQZXWRRIE-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB O=C(/C=C/c1ccc2ccccc2c1)Nc1ncc(Cc2ccc(Cl)cc2)s1 11690118 ILDNZIYDDBQYPE-XYOKQWHBSA-N 404.922 6.192 0 40 HKAB COc1cc(SC)ccc1C(=O)Nc1ccc(Sc2ccc(C)cc2C)cc1 12569293 UGHSMYAKVOFKJU-UHFFFAOYSA-N 409.576 6.437 0 40 HKAB CCOC(=O)c1cc(Nc2ccc(Br)c(C)c2)c2cc(Cl)ccc2n1 15829158 YYFNDOLOZFKLJF-UHFFFAOYSA-N 419.706 5.879 0 40 HKAB Cc1ccccc1C(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl 16362589 RTIYBRHNNROGLB-HXUWFJFHSA-N 403.869 5.218 0 40 HKAB OC(COc1ccc(Br)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 16401165 FPKDLPYELVWBMW-UHFFFAOYSA-N 405.238 5.042 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 17089831 RFBIQVAJDQYHHZ-UHFFFAOYSA-N 414.461 5.725 0 40 HKAB Cc1cc(N2CCCCCC2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 21150352 PAMLILOMKXDOEE-UHFFFAOYSA-N 408.855 5.757 0 40 HKAB O=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)c1ccccc1Cl 22458422 KYZAVMNJXKMLHS-UHFFFAOYSA-N 405.841 5.221 0 40 HKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 22513393 AQPSDGWDZLHBKM-MHLWUJJFSA-N 423.984 6.604 0 40 HKAB COc1cc(C(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)ccc1C 24504279 OLYWNOINJDWXDA-SFHVURJKSA-N 402.494 5.089 0 40 HKAB Cc1cc(C)n2nc(Sc3ccc(Cl)cc3)c(NC(=O)c3ccccc3)c2n1 27562692 SBHOTVXLQJIYBD-UHFFFAOYSA-N 408.914 5.403 0 40 HKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 30758315 YCZPGKBCWLJERV-IBGZPJMESA-N 416.304 6.582 0 40 HKAB O=C(CSCc1ccc(F)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 30867220 KTMQDAGYAKQXIP-UHFFFAOYSA-N 413.901 5.582 0 40 HKAB Cc1ccc(Oc2ccccc2NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)cc1 31297359 PVKMWKBTJBGYQE-HSZRJFAPSA-N 416.477 5.157 0 40 HKAB Cn1nc(C(F)(F)F)c(/C=C\c2nc(-c3ccc(C(F)(F)F)cc3)no2)c1Cl 33376522 MXEUVPHEEBOJKY-SREVYHEPSA-N 422.716 5.332 0 40 HKAB CCOc1cc(/C=C2/SC(=N)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 33417781 OLRYTTXXVAQCDH-RQZCQDPDSA-N 423.321 5.110 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3cccnc3)C(=O)c3ccccc3)cc2c1 35290186 HOFQVJKHHADYPC-UHFFFAOYSA-N 415.924 5.743 0 40 HKAB Cn1cc(/C=C2\S/C(=N/c3ccc(Cl)c(Cl)c3)NC2=O)c2ccccc21 35646894 RENZIANDFQRTCV-IUXPMGMMSA-N 402.306 5.377 0 40 HKAB O=C1N/C(=N\c2cc(C(F)(F)F)ccc2Cl)S/C1=C/c1ccc(F)cc1 35647334 SUUHRQPXGAVKJB-VGOFMYFVSA-N 400.784 5.390 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc(C)c(C)c2)sc2c1CCCC2 38771477 NUTAPOCPXHODQP-SFHVURJKSA-N 415.555 5.217 0 40 HKAB COc1c(C)cc(Br)cc1C(=O)NC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2 41107615 JGWRMSDWEXLKIK-DELCKGKKSA-N 406.364 5.245 0 40 HKAB Cc1ccc(-c2cnc(CCc3nc4ccccc4c(=O)n3-c3cccc(C)c3)o2)cc1 58378059 OJEFVWKZWFIGER-UHFFFAOYSA-N 421.500 5.443 0 40 HKAB O=C(CSc1ccc(-c2ccc(Br)cc2)nn1)c1ccccc1Cl 67206939 PFHSDVRKEOFKLG-UHFFFAOYSA-N 419.731 5.535 0 40 HKAB Brc1ccsc1-c1csc(Cc2nc(-c3ccccc3)n[nH]2)n1 72294560 GZHGPCVUHGYZCS-UHFFFAOYSA-N 403.330 5.010 0 40 HKAB COc1cc(/C=C(\C)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccccc1 77024543 KKOAFSFGHWEKBY-SAPNQHFASA-N 417.461 5.014 0 40 HKAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CCC[C@H]1c1ccc[nH]1 84338989 UEWNYXOYCPFTOX-KRWDZBQOSA-N 405.445 5.063 0 40 HKAB Clc1ccccc1C1(c2nnc(Cc3cccc4ccccc34)o2)CCOCC1 84598508 XKPYIOLKQRUVKM-UHFFFAOYSA-N 404.897 5.564 0 40 HKAB O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)C1(c2cccs2)CCCC1 90607137 ZJOOVMGOWWSGFE-UHFFFAOYSA-N 420.582 5.250 0 40 HKAB O=C(c1ccccc1F)N1N=C(c2ccco2)C[C@@H]1c1cccc(Br)c1 97165253 JSQHNVHDOIBFDV-GOSISDBHSA-N 413.246 5.173 0 40 HKAB Cc1nn2c(=O)cc(CSc3ccc(Cl)cc3)[nH]c2c1-c1cccc(Cl)c1 100071930 AYOVJSHAQCZOKA-UHFFFAOYSA-N 416.333 5.597 0 40 HKAB C[C@H]1CC2=Nc3ccccc3N(C(=O)c3ccc(F)cc3)[C@H](c3ccco3)C2=C(O)C1 102602392 ZKDVTHHTAVANNE-IZHWHUGBSA-N 416.452 6.135 0 40 HKAB CCOc1cc(CNc2ccccc2)cc(Cl)c1OCc1cccc(Cl)c1 107032941 JWGIGDZGGFTFKC-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB Cc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 222741193 KKSDOKKWIPACMY-OAQYLSRUSA-N 422.613 5.383 0 40 HKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 222820218 KTYJBOVAIBZGOA-PMACEKPBSA-N 414.937 5.046 0 40 HKAB Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1 222914722 GYHVNLGZMJVPFO-YADHBBJMSA-N 423.607 5.763 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 223032014 UEROSWIWHSFTFY-VQTJNVASSA-N 401.934 5.533 0 40 HKAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1C 223399482 VDFRQYRNZQQJQQ-JOCHJYFZSA-N 412.577 5.661 0 40 HKAB CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223420173 KUJJWCWINUWFSA-QFIPXVFZSA-N 414.977 5.372 0 40 HKAB Cc1ccc([C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c(C)c1 224112174 FGLKEFGTJORTGF-CEZZIEKDSA-N 404.535 5.013 0 40 HKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C1CC1 224392695 LWIJZNXMTFGJSD-FGZHOGPDSA-N 406.530 5.151 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1c1ccc(Cl)cc1 224480233 HVJUWGGGGULFBU-FGZHOGPDSA-N 422.985 5.829 0 40 HKAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccccc1Cl 224482201 VPGPSKHXVFAOMG-UHFFFAOYSA-N 421.924 5.516 0 40 HKAB Cn1c(=O)sc2cc(NC(=O)c3cc(Cl)ccc3OCc3ccccc3)ccc21 225058104 CLSLYMDWRDHFIF-UHFFFAOYSA-N 424.909 5.085 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2cccc(Br)c2)cc1 225497414 XNMWGAHKXMPISZ-SFHVURJKSA-N 407.377 5.532 0 40 HKAB Cc1cccc(CSCCCNC(=S)Nc2cccc(Br)c2)c1 225602961 BEUGASVOHPGNOD-UHFFFAOYSA-N 409.418 5.367 0 40 HKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225734879 DNYVPEBEPBJWLP-XMMPIXPASA-N 404.595 5.111 0 40 HKAB CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1F 408608057 MKNNRPBRHITJQR-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB Cc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 408698958 QJCBALKSOOZYFQ-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB O=C1S/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)C(=O)N1c1ccccc1 409203088 UYIITKBCNIVQPE-PDGQHHTCSA-N 415.392 6.206 0 40 HKAB Cc1cccc(NC(=O)COc2ccc(CNc3cccc(C)c3C)cc2Cl)c1 409263176 HZMXJKRDIGLGAG-UHFFFAOYSA-N 408.929 5.895 0 40 HKAB O=C(c1ccc(Cl)cc1Cl)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575442937 KNKADJUBABWHKZ-UHFFFAOYSA-N 423.303 6.366 0 40 HKAB CCOc1cccc(-c2cc(C(=O)Nc3ccc(F)c(F)c3)c3ccccc3n2)c1 646976 IEYIQQRRKPMIJG-UHFFFAOYSA-N 404.416 5.831 0 40 HKAB COc1ccc(C(=O)c2sc3nc(C)cc(-c4ccc(Cl)cc4)c3c2N)cc1 663662 XPBPOIVHEWLHHZ-UHFFFAOYSA-N 408.910 5.747 0 40 HKAB Fc1cccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN23)c1 934697 KZRUWMSYXHVGOU-XLIONFOSSA-N 413.246 5.424 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc2nc(NC(=O)c3ccccc3C)sc2c1 1510050 AMGYPJDSGAIFDA-UHFFFAOYSA-N 401.491 5.418 0 40 HKAB COc1cc(OC)c(NC(=O)Oc2cc(C)c(Br)c(C)c2)cc1Cl 1560686 BCIJLASKOPHKEO-UHFFFAOYSA-N 414.683 5.347 0 40 HKAB Oc1ccccc1C1SC(c2ccccc2O)SC(c2ccccc2O)S1 1644072 FAPPLTQTFIVGDU-UHFFFAOYSA-N 414.573 6.413 0 40 HKAB O=C(NCCc1ccccc1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2084207 QSBHNZIUNDLTES-UHFFFAOYSA-N 421.327 6.181 0 40 HKAB COc1ccc(Oc2coc3cc(OCc4cccc(OC)c4)ccc3c2=O)cc1 2152361 YSXDCZXXGCLHRZ-UHFFFAOYSA-N 404.418 5.182 0 40 HKAB biogenic O=C(Nc1ccccc1Oc1ccc(Cl)cc1Cl)C(Cl)=C(Cl)Cl 2161653 WGGGGGYWDXCQPM-UHFFFAOYSA-N 411.499 6.610 0 40 HKAB Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccccc2F)c1 2410210 OMRPOZWIWAUUOV-JOCHJYFZSA-N 414.436 5.002 0 40 HKAB O=C(N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 2678290 PNQNULKKWXJJFG-CQSZACIVSA-N 412.531 5.532 0 40 HKAB Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2cccc(Br)c2)c1 3061673 PBKWVVXTHNFSBI-JOCHJYFZSA-N 420.350 6.011 0 40 HKAB O=C(Nc1cc(Br)c(O)c(Br)c1)c1ccc2ccccc2c1 3077351 NDGPADKYMPMGSX-UHFFFAOYSA-N 421.088 5.323 0 40 HKAB CCOc1cccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)c1 3177117 LBCJFLZTCXXGPZ-UHFFFAOYSA-N 405.337 6.042 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)OCC(=O)N(Cc1ccccc1)Cc1ccccc1 3262632 YIIZUIQZNIZYQE-DTQAZKPQSA-N 419.908 5.125 0 40 HKAB CC(=O)Nc1ccc(S[C@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1 3458859 UWCZBKMLNAVWBN-QHCPKHFHSA-N 418.518 5.320 0 40 HKAB CC[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1)C(=O)OC 3658697 NMCSEQFWCHTRAZ-IBGZPJMESA-N 421.497 5.270 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(C(=O)OCc3ccc(Cl)cc3Cl)c2)cc1 4593198 JYIZPAHAMAJTIZ-UHFFFAOYSA-N 414.288 5.911 0 40 HKAB CCCCN(CCCC)C1=N/C(=C\c2ccccc2)C(=O)N1c1cccc(Cl)c1 4664721 XNVGIRJLFRBKRR-XLNRJJMWSA-N 409.961 5.986 0 40 HKAB O=C(Oc1cccc2c(OC(=O)N3CCCCCC3)cccc12)N1CCCCCC1 4666977 JWDDKGFGOBCONR-UHFFFAOYSA-N 410.514 5.589 0 40 HKAB Cc1ccc(COC(=O)c2[nH]c3c(c2C)C(=O)C[C@@H](c2ccccc2Cl)C3)cc1 4911784 YDIIKXNBUZIGTJ-KRWDZBQOSA-N 407.897 5.555 0 40 HKAB Clc1ccc(CSc2nnc(C3CCCCC3)n2-c2ccccc2)c(Cl)c1 4959361 JCOPAOQQZOULFQ-UHFFFAOYSA-N 418.393 6.914 0 40 HKAB CC(C)CC(O)(CC(C)C)[C@H](CCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 5452754 CFAGIIUJUBRYDZ-HSZRJFAPSA-N 424.585 5.484 0 40 HKAB Cc1ccc(OCc2ccc(C(=O)Oc3ccc(-c4ccc(C)cc4)cc3C)cc2)cc1 6480147 JIYJUTLBCYCTTD-UHFFFAOYSA-N 422.524 7.077 0 40 HKAB CN(C(=O)c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 6734207 NOEUPHXRICXZRY-UHFFFAOYSA-N 404.432 5.362 0 40 HKAB Cc1cc2sc(NC(=S)NC(=O)c3cc4ccccc4o3)nc2cc1Cl 6826397 OUIQLVWAFMPCIP-UHFFFAOYSA-N 401.900 5.131 0 40 HKAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)c1nnc(-c2ccccc2)o1 7743972 OIJDVHPWHSNUQN-NSHDSACASA-N 402.401 5.552 0 40 HKAB Cc1csc(S[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)n1 7777386 JZPKITYQEKPEAJ-MRXNPFEDSA-N 409.363 6.230 0 40 HKAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1CSc1nc2ccccc2o1 8328074 GSAYEOHOLISUBA-UHFFFAOYSA-N 404.447 5.101 0 40 HKAB Cc1nc(-c2ccc(CNC(=O)C(c3ccccc3)c3ccccc3)s2)cs1 8429318 UTJGHVXLLCVVAD-UHFFFAOYSA-N 404.560 5.628 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2Cl)cc1 8455750 BYZNWKINKFLYNO-VYIQYICTSA-N 423.299 6.533 0 40 HKAB CCCCSc1nc(NCc2ccccn2)c2c3c(sc2n1)COC(C)(C)C3 8628176 HXJLQXUCNDRBPU-UHFFFAOYSA-N 414.600 5.442 0 40 HKAB COc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(C)cc2)c1 9191610 ZBWCLOUQJLOIGK-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB COc1ccc([C@H]2CC(=O)N(Cc3ccccc3F)c3ccccc3S2)cc1OC 9414546 HUCYYLRQKIPMBF-HSZRJFAPSA-N 423.509 5.613 0 40 HKAB CCc1ccc(NC(=O)[C@@H](C)Sc2nn(-c3ccccc3)c(=S)s2)cc1 9499113 WXOPXRJYQIYSOC-CYBMUJFWSA-N 401.582 5.345 0 40 HKAB CCOc1cc(OCC)cc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c1 10120018 VIFXUEYRAVLHTD-UHFFFAOYSA-N 416.477 5.468 0 40 HKAB COc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1Cl 10120325 VUINXNMRJLRAHB-UHFFFAOYSA-N 420.896 5.704 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 11203265 OCMJHHJBZKNVLD-LBPRGKRZSA-N 419.264 5.245 0 40 HKAB COc1ccc(-c2csc(-c3cccc(OC)c3OC)n2)cc1Br 12791297 ZSHVTJDJZFRYSB-UHFFFAOYSA-N 406.301 5.265 0 40 HKAB CCN(C(=O)[C@H](C)Sc1nnc(C2CC2)n1C1CC1)c1cccc2ccccc12 12873970 CQUNGPBPYAFFQM-HNNXBMFYSA-N 406.555 5.177 0 40 HKAB C[C@@H](c1nc2ccccc2n1C(F)F)N1CCC(c2nc3ccccc3s2)CC1 12886316 VJQKVNSUQIAWFT-AWEZNQCLSA-N 412.509 5.982 0 40 HKAB CCOc1ccc(OCC)c2nc3c(cc12)CN(Cc1ccccc1)C[C@H](CC)O3 13563879 QRIVUDSBIADMNI-FQEVSTJZSA-N 406.526 5.205 0 40 HKAB CCc1ccc(NC(=O)c2nnc3c(-c4cccc5ccccc45)c(C)nn3c2C)cc1 13635678 VLUVGZRRNMHZDN-UHFFFAOYSA-N 421.504 5.376 0 40 HKAB CCOc1c(Br)cc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OC 14495453 YGLFMMCBTXCHQQ-UHFFFAOYSA-N 419.102 5.416 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)N1CCC(Cc2ccccc2)CC1 14608369 PBPOBPVALWTJJP-MUUNZHRXSA-N 422.572 6.355 0 40 HKAB COc1ccc(C(=O)C[C@H](Sc2ccc(OC)c(OC)c2)c2ccccc2)cc1 16216221 SSAZZLSHPFFXTB-DEOSSOPVSA-N 408.519 5.819 0 40 HKAB Cc1c(-c2nc(N)nc(Nc3ccc(Oc4ccccc4)cc3)n2)oc2ccccc12 16996277 JSDXTBLYTFOUNR-UHFFFAOYSA-N 409.449 5.711 0 40 HKAB COc1cccc(CC(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c1 19691479 YWGIKBMJMZHPFG-XMMPIXPASA-N 404.485 5.111 0 40 HKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(C(=O)O)c(O)c1 20151118 DBKUJYGXFNHBJI-ZZXKWVIFSA-N 418.232 5.309 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 20610513 ZXOYNWKWJOOKOQ-UHFFFAOYSA-N 414.509 5.585 0 40 HKAB O=c1c2ccccc2nc(-c2ccc(-c3ccccc3)cc2)n1CCc1ccccc1 20799212 LPTRNLZJCHMUAM-UHFFFAOYSA-N 402.497 5.973 0 40 HKAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cc(Cl)c(Cl)cc1Cl 21465092 MGSLXBCLGDJMPD-UHFFFAOYSA-N 413.663 6.012 0 40 HKAB CC(=O)c1ccc(C(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)s1 21925403 NEEOPDWYPRVYFT-UHFFFAOYSA-N 418.312 5.245 0 40 HKAB O=C(COc1cccc2ccccc12)Nc1cccc(NC(=O)c2cccs2)c1 24030878 JWEIKBZFLJNUSP-UHFFFAOYSA-N 402.475 5.171 0 40 HKAB CC(=O)N[C@@H](C)c1ccc(C(=O)CSc2nc(C)c(C)n2C2CCCCC2)cc1 26107841 OXIMZQLDBFJHDR-INIZCTEOSA-N 413.587 5.177 0 40 HKAB Cc1ccccc1CSc1ncc(Br)c(C(=O)Nc2ccccc2)n1 27795521 OIAXNGCYSCTHSK-UHFFFAOYSA-N 414.328 5.092 0 40 HKAB CC[C@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(OC)cc1 30848797 SIHUJDYCTDRMRW-IBGZPJMESA-N 420.347 5.227 0 40 HKAB COc1cc([C@H]2CC(O)=Nc3nc(N)sc32)ccc1OCc1cccc(Cl)c1 32089633 OYWLQGDEXICUEJ-CQSZACIVSA-N 415.902 5.090 0 40 HKAB O=C(NCc1coc(-c2cccs2)n1)N[C@@H](c1ccc(F)cc1)c1cccs1 32795106 FNFBKLNVNMKBQY-SFHVURJKSA-N 413.499 5.193 0 40 HKAB CC(=O)c1ccc(C(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)s1 32900351 SLMQULKDMJBGTL-HNNXBMFYSA-N 406.507 5.036 0 40 HKAB Cc1cccc2cc([C@@H]3Nc4ccccc4C(=O)N3CC(F)(F)F)c(Cl)nc12 40071820 GALPFBUXFINEQQ-GOSISDBHSA-N 405.807 5.325 0 40 HKAB COc1ccc(-c2csc(NC(=O)COc3cc(C)c(Cl)c(C)c3)n2)cc1 40870402 JTFXEZNLSZUOIR-UHFFFAOYSA-N 402.903 5.106 0 40 HKAB CCCCC1CCC(C(=O)Nc2nn3c(-c4ccc(C)c(F)c4)nnc3s2)CC1 41076571 QBOURPSPXFFZFJ-UHFFFAOYSA-N 415.538 5.235 0 40 HKAB Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2cccc(C)c2)cc1 41076835 BFTGBHVGVVAZRD-UHFFFAOYSA-N 401.535 5.432 0 40 HKAB CC(C)(C)[C@H](NCc1nc(-c2cc(Br)cs2)no1)c1cccs1 52861340 AAYAJVYFDVDMAG-CQSZACIVSA-N 412.378 5.499 0 40 HKAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc1Cl 67297060 NAERDXDSESOLKL-LCUIJRPUSA-N 418.880 5.888 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)c(Cl)c2)c(C)c1 67297237 LKLYCFQKCAIYNH-PNHLSOANSA-N 420.871 6.327 0 40 HKAB CC[C@@](C)(NC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1)c1ccccc1 72271547 DBDRQCGVSDGXJP-RUZDIDTESA-N 401.510 5.410 0 40 HKAB CCOc1ccc2ccccc2c1C(=O)NCc1ccc([C@@H](O)c2cccs2)s1 90613643 ONUYTJPBTNRMOW-QFIPXVFZSA-N 423.559 5.373 0 40 HKAB COCCn1c(C(=O)Nc2ccc(C)c(C)c2)cc2c1c1ccccc1n2C(C)C 96037315 OCOOTHNXMNCMRL-UHFFFAOYSA-N 403.526 5.692 0 40 HKAB COC1CCN(c2ccc(NC(=O)CCc3c(Cl)cccc3Cl)cc2)CC1 96104478 JXMHLYFYSUQGDG-UHFFFAOYSA-N 407.341 5.180 0 40 HKAB c1ccc(COc2ccc(-c3nn4c(-c5cc6ccccc6o5)nnc4s3)cc2)cc1 96193827 FOOFTIJHUMAUAX-UHFFFAOYSA-N 424.485 5.845 0 40 HKAB CC1(C)CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H](c3ccco3)C2=C(O)C1 102694491 NEJAFMBYSGMVGM-GOSISDBHSA-N 404.388 5.634 0 40 HKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccccc1Cl 102794791 PCTOQLYETKSIHZ-HSZRJFAPSA-N 408.929 6.543 0 40 HKAB C[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@]1(C)N1CCCC1)OCO3 106343492 AWHYQLPXMIHKLX-ZKCQSVRFSA-N 420.336 5.695 0 40 HKAB O=S(=O)(Cc1cc2ccccc2nc1Cl)Cc1c(Cl)cccc1Cl 195596381 BCBXDRKVQDKYQT-UHFFFAOYSA-N 400.714 5.310 0 40 HKAB CCOc1cc(C(=O)OC)cc(Br)c1OCc1ccc(F)cc1Cl 216830476 LLTPUFRXDPTFBW-UHFFFAOYSA-N 417.658 5.006 0 40 HKAB C[C@@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCCC2 222994074 VPQRXCTVXJRZDU-CQSZACIVSA-N 408.394 5.983 0 40 HKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 223755933 QTWSDECGFALUTM-XZOQPEGZSA-N 420.582 5.267 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2cccc(OC)c2)c1 224259287 GLVZKWLBWNPNEQ-UHFFFAOYSA-N 419.521 5.660 0 40 HKAB COc1cccc(OCc2cc(C(=O)N[C@H](C)CCc3ccccc3)ccc2OC)c1 224260182 ZGXGSEXBEQLCEW-LJQANCHMSA-N 419.521 5.034 0 40 HKAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COc1cccc2ccccc12 224634105 PUTOXDXGVAWDQM-UHFFFAOYSA-N 403.522 5.690 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccccc1Cl 224932652 SZUMMJHGLBRYPN-QFIPXVFZSA-N 418.002 5.426 0 40 HKAB Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1C 225587752 XAOLOWBQOWHDJV-KRWDZBQOSA-N 402.941 5.185 0 40 HKAB CC[C@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(OC)c(OC)c1 225720939 QJCCQCUCYUHJBC-FQEVSTJZSA-N 414.571 5.463 0 40 HKAB CC[C@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccccc1C 225757371 INZGTANQUJBRTH-QHCPKHFHSA-N 406.620 6.725 0 40 HKAB O=C(NCc1cccnc1-c1cccs1)c1cccc(OCc2ccccc2)c1 225760417 KLIPLLXFUSNZIX-UHFFFAOYSA-N 400.503 5.319 0 40 HKAB S=C(Nc1cccc(Br)c1)NC1(CCc2ccccc2)CCCC1 225845877 YWRYWJNNPYTIFD-UHFFFAOYSA-N 403.389 5.681 0 40 HKAB Cc1cccc2[nH]c(C(=O)N3CCC[C@@H](c4ncc(Cc5cccc(F)c5)o4)C3)cc12 257262514 LLSAPSPKEHBSEV-GOSISDBHSA-N 417.484 5.214 0 40 HKAB COc1ccccc1-c1cnc2c(-c3ccccc3)c(COc3ccccc3)nn2c1N 408600135 VLMKFXAVNWRHPM-UHFFFAOYSA-N 422.488 5.233 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccccc2)c(C)c1 408696726 BMGCCFCXGLDTQN-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(C(=O)N2CCCCCCCN(C(=O)C(C)C)c3ccccc3C2)cc1 2037884870 CWUKHVINXJGCQB-UHFFFAOYSA-N 406.570 5.591 0 40 HKAB Cc1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C1=S 625320 ZYQFMWLIKVGQJQ-UPVQGACJSA-N 423.541 5.124 0 40 HKAB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2C(C)C)cc1Br 678858 WEHAVNIKYIKAMJ-UHFFFAOYSA-N 421.360 5.098 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1c(Cl)cc(Cl)cc1Cl 847132 VKWBDYAQWLOBSP-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)cc1 859833 MSYMKPYEZNYFFY-UHFFFAOYSA-N 401.919 5.418 0 40 HKAB Cn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1C1CCCCC1 906761 SZYDNRODJGVRND-UHFFFAOYSA-N 406.555 5.320 0 40 HKAB Cc1ccc2cc(CN(C(=S)Nc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 1224185 VDCVWYHGGBUARR-UHFFFAOYSA-N 405.567 5.368 0 40 HKAB Clc1ccc(-n2cc(-c3ccccc3)c3c(NC[C@H]4CCCO4)ncnc32)cc1 1447596 FCCCBFZSEVGVMH-LJQANCHMSA-N 404.901 5.332 0 40 HKAB Cc1nc2sc(C(=O)Nc3cccc(Cl)c3Cl)c(N)c2c2c1CCCC2 1471879 CJRYMXWYCJDQEN-UHFFFAOYSA-N 406.338 5.625 0 40 HKAB Cc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3cc(Cl)cc(Cl)c3)c1-2 1820230 JJOLNXHOQCZPOP-PYCFMQQDSA-N 407.391 6.985 0 40 HKAB C=Cc1ccc(COc2ccc3c(=O)c(Oc4ccc(OC)cc4)coc3c2)cc1 2154575 HAIYDEZYRJFMAH-UHFFFAOYSA-N 400.430 5.816 0 40 HKAB biogenic CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(C(C)C)cc1 2427848 QVUQQUFVDLBXEO-FIPFOOKPSA-N 403.503 5.533 0 40 HKAB C[C@@H](OC(=O)C1(c2cccc(F)c2)CCCC1)C(=O)Nc1cc(Cl)cc(Cl)c1 2621875 WGONRHWOQHTZEN-CYBMUJFWSA-N 424.299 5.515 0 40 HKAB COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccccc1 2889650 CWGKPFHGGVAZJA-UHFFFAOYSA-N 416.296 5.217 0 40 HKAB Cc1cccc(OP(=O)(Nc2cc(Cl)ccc2C)Oc2cccc(C)c2)c1 3123391 WUDXOGDCBLZNBW-UHFFFAOYSA-N 401.830 6.943 0 40 HKAB COc1ccc2c(COc3c(Cl)cc(Cl)c4ccc(C)nc34)cc(=O)oc2c1 3322004 DVXQNUQLRLDWCX-UHFFFAOYSA-N 416.260 5.544 0 40 HKAB COc1cc(NC(=O)c2cccc3ccccc23)ccc1NC(=O)c1cccs1 4487797 ORVXHEIRFCGVQX-UHFFFAOYSA-N 402.475 5.415 0 40 HKAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1ccccc1SC(F)F 5077294 IKAVTLOFGMIDHJ-UHFFFAOYSA-N 403.479 5.186 0 40 HKAB CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1ccc2c(c1)Cc1ccccc1-2 5178122 TYYLSPIEBHTUTQ-IDRNJTBQSA-N 406.529 5.285 0 40 HKAB CC[C@H](C(=O)Nc1ccc(-n2c(C)nc3ccccc3c2=O)cc1C)c1ccccc1 5240100 HNUMSAWDLUKGBS-NRFANRHFSA-N 411.505 5.135 0 40 HKAB Cc1ccccc1COc1ccc(-c2onc(C)c2-c2ccc(Cl)cc2)c(O)c1 5483711 OEYVIZBEEHPIEK-UHFFFAOYSA-N 405.881 6.563 0 40 HKAB biogenic CC(C)c1ccc([C@@]2(C(=O)NC3CCCCC3)CC(=O)N2c2ccc(Cl)cc2)cc1 5484637 KSTRZMCKCDRDAT-RUZDIDTESA-N 424.972 5.545 0 40 HKAB CCOC(=O)c1c(NC(=O)CNCCC(C)C)sc(Cl)c1-c1ccc(C)cc1 5598403 FKPGIWZXAIWQLQ-UHFFFAOYSA-N 422.978 5.128 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nn(-c3ccc(F)cc3)c(=S)s2)c1 6085496 KBNFWHXUNWOWEB-UHFFFAOYSA-N 405.545 5.150 0 40 HKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc(C(C)(C)C)ccc3O)o2)cc1C 6256222 NFOUBNJUWXEBPD-UHFFFAOYSA-N 422.550 5.693 0 40 HKAB Cc1cc(-n2c(C)cc(-c3csc(CC(=O)Nc4ccccc4C)n3)c2C)no1 6553367 OLCLEZAAGFAKAK-UHFFFAOYSA-N 406.511 5.004 0 40 HKAB Cc1ccc(N[C@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)cc1F 6825500 QVFAVVSVSOXFBJ-HXUWFJFHSA-N 411.839 6.178 0 40 HKAB C[C@H](OC(=O)c1ccc(OCc2ccccc2)cc1)c1nnc(-c2ccccc2)o1 6938126 OVHPFONXWKKMNF-KRWDZBQOSA-N 400.434 5.234 0 40 HKAB COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 6966325 BGWJSKPLGUDNRA-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB CCc1cccc2c(C(=O)[C@@H](Sc3nnc(C)n3C3CC3)c3ccccc3)c[nH]c12 7617820 ITLAHWFBOUGFIR-QHCPKHFHSA-N 416.550 5.681 0 40 HKAB CCN(CC)c1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)CCC4)o2)cc1 8156890 HOWQNFGPTLQTGA-UHFFFAOYSA-N 407.539 5.047 0 40 HKAB Nc1nc(-c2ccc(Cl)cc2)c(NC(=O)c2ccc(Br)cc2)s1 8993420 GFDXXRPCMFRAKH-UHFFFAOYSA-N 408.708 5.061 0 40 HKAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)c1nnc(-c2ccc(F)cc2)o1 9366530 LQHKFIIOXZVLSF-CQSZACIVSA-N 417.440 5.221 0 40 HKAB Cc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1Cl 9462256 LIWNFLYHLWAJDF-UHFFFAOYSA-N 402.881 5.337 0 40 HKAB O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccccc1-c1ccccc1 9644818 QKMUZWCXIQHQAI-UHFFFAOYSA-N 422.484 5.623 0 40 HKAB Cc1cc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc4c(c3)CCCC4)nc2c1 11141110 AQXSGYJLYZEFRN-NRFANRHFSA-N 420.578 5.618 0 40 HKAB CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1 11526554 ZQJHMHNOUOPSKG-UHFFFAOYSA-N 421.453 5.131 0 40 HKAB O=C(NCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1)c1ccco1 12539278 BKTVHBCVMUVHDI-UHFFFAOYSA-N 423.900 5.072 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccc(C(F)(F)F)c1 13041601 YSMJDKUHQOOLPS-UHFFFAOYSA-N 416.365 5.967 0 40 HKAB CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 13298393 MKGZDUKUQPPHFM-NHFSXRNUSA-N 410.686 8.009 0 40 HKAB biogenic,in-vitro Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C2CCCCC2)c1C 13776586 CFKLEBDVQNGVNV-UHFFFAOYSA-N 402.538 5.567 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 14002842 QBXZMRJIUHDYHV-UHFFFAOYSA-N 408.542 5.152 0 40 HKAB Cc1cc(NC(=O)c2cc3c(C)nn(Cc4c(Cl)cccc4Cl)c3s2)no1 14070024 COVNNTUXKWIQCY-UHFFFAOYSA-N 421.309 5.310 0 40 HKAB Cc1cc(Br)c(-c2nc3cc(C(C)C)ccc3o2)c(Br)c1N 16267676 OEVWRIRRCNOIIV-UHFFFAOYSA-N 424.136 6.034 0 40 HKAB Cc1cc(NC(=S)NC(=O)c2ccccc2Cl)ccc1NC(=O)c1ccccc1 16282690 RGEMTMWJVZIHDN-UHFFFAOYSA-N 423.925 5.028 0 40 HKAB O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 17089750 FDHKWOPHSBPBIH-UHFFFAOYSA-N 414.248 5.214 0 40 HKAB Clc1ccccc1-c1nnc([C@H](Nc2ccc3c(c2)OCCO3)c2ccccc2)o1 20509712 ZPAFXUZWRHSTFP-OAQYLSRUSA-N 419.868 5.363 0 40 HKAB Cc1ccccc1NC(=O)c1cnc(Nc2nc(-c3ccccc3)cs2)nc1C 20799700 BXHDROLHDMMWQE-UHFFFAOYSA-N 401.495 5.213 0 40 HKAB CC[C@@H](C)n1nc(NC(=O)COc2ccc(Cl)cc2)c2cc3cc(C)ccc3nc21 21596604 BEWSJKWGMIYOHC-OAHLLOKOSA-N 422.916 5.535 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)Cn1nc(-c2ccccc2F)n(C)c1=S 25139706 NYWXNUDDESZYRM-ZDUSSCGKSA-N 413.547 5.017 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(Cn3ccnc3)c2)cc1OCC 25171697 VAWJHCMTTZINSA-UHFFFAOYSA-N 413.905 5.025 0 40 HKAB COc1ccc(S(=O)(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)cc1 27062028 BDNCDQWVLUJCNJ-UHFFFAOYSA-N 422.531 5.287 0 40 HKAB COc1ccc(-c2nc(CSCc3nnc(-c4ccc(F)cc4)o3)cs2)cc1 31413730 AXMGJANSKIPAMJ-UHFFFAOYSA-N 413.499 5.441 0 40 HKAB O=C(Nc1ccccc1O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 32103909 DZKHDPKKUSKBOV-QHCPKHFHSA-N 418.537 5.216 0 40 HKAB O=C(Nc1ccc(F)cc1Cl)c1ccccc1OCc1nc(-c2ccccc2)no1 32579168 LFTBYAMZDSKUQX-UHFFFAOYSA-N 423.831 5.360 0 40 HKAB C[C@@H](CNC(=O)N1CCC(c2ccccc2)CC1)c1nc2ccccc2n1C(F)F 32909414 KRFWYRUXSYTDQF-INIZCTEOSA-N 412.484 5.124 0 40 HKAB CC(C)c1ccc(-c2ccc(SCc3nc(-c4ccc(Cl)cc4)no3)nn2)cc1 33022120 PUHUUCMXIKDMLS-UHFFFAOYSA-N 422.941 6.263 0 40 HKAB O=C(Nc1ccccc1SC1CCCC1)N1CCC[C@@H](c2nnc3ccccn23)C1 40104989 GUDDOMAGOMDPCP-QGZVFWFLSA-N 421.570 5.176 0 40 HKAB CCC(=O)Nc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c1 43729737 FNTLAGZIENOFCU-UHFFFAOYSA-N 410.477 5.140 0 40 HKAB COc1ccc([C@@H]2CCCN2C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cc1 44368877 PGLGMPXRECSCGU-IBGZPJMESA-N 407.436 5.149 0 40 HKAB CCn1cnnc1CNc1nc(-c2ccccc2)nc2scc(-c3ccccc3)c12 48300568 NKTBQSOLODSOTF-UHFFFAOYSA-N 412.522 5.249 0 40 HKAB FC(F)Oc1ccccc1/C=C(/c1nc2ccccc2[nH]1)c1nc2ccccc2s1 50647912 WBWJMUZXYBCTGV-SQFISAMPSA-N 419.456 6.363 0 40 HKAB c1ccc(-c2csc3ncnc(Nc4ccc(NC5CCOCC5)cc4)c23)cc1 57265302 GLQYGZKGCTVNML-UHFFFAOYSA-N 402.523 5.693 0 40 HKAB CCOc1ccc(NCc2cc3ccc(OC)cc3n(Cc3ccccc3)c2=O)cc1 57710188 CLYGNYYRSWTZLO-UHFFFAOYSA-N 414.505 5.069 0 40 HKAB COc1cccc(NC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)c1 64472730 HDVHUCVHGBWNNU-UHFFFAOYSA-N 408.910 6.120 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CSc1nccn2nc(-c3cccs3)cc12 67290157 NGHJEQPUHWBYBU-UHFFFAOYSA-N 414.943 5.150 0 40 HKAB Fc1ccc(-c2nc(CN3CCC[C@@H](n4nccc4C(F)(F)F)C3)cs2)cc1 95466157 XBVAFZZLSQUURY-MRXNPFEDSA-N 410.440 5.002 0 40 HKAB O=C(N[C@@H]1CCOc2ccccc21)[C@@H]1CCCC[C@H]1c1nc2cc(Cl)ccc2[nH]1 108169365 DCLIFWJAXIUTGS-JFIYKMOQSA-N 409.917 5.130 0 40 HKAB O=C(NCc1ccc2ccccc2c1)c1ccc(CN2CCc3ccccc3C2)cc1 222749328 AMZODQCHDZYFGE-UHFFFAOYSA-N 406.529 5.328 0 40 HKAB C[C@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)CCCC2 222975080 DHBGMFOTEKVFDC-SFHVURJKSA-N 410.989 5.308 0 40 HKAB O=C(COc1ccc2c(c1)CCCC2)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 224707139 UJLYDBCGVTWDRY-HSZRJFAPSA-N 405.538 5.287 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)N3CCc4ccccc4C3)o2)c1 224903558 HMMSSGPEOZKDRZ-UHFFFAOYSA-N 410.473 5.216 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c1 225505725 LEEZEOIDYLMSKY-NRFANRHFSA-N 424.953 5.511 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C 225557120 DLMRSNVYQOPTBN-UHFFFAOYSA-N 420.380 6.931 0 40 HKAB CC(C)C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccccc1 225583531 LXKXGNHQJDIJHL-HSZRJFAPSA-N 416.968 5.595 0 40 HKAB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)NCc1cccnc1-c1ccco1 225660893 HHYGUWGDYMMLCB-UHFFFAOYSA-N 408.807 5.263 0 40 HKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225734664 RESNLXHLNWNLGN-RDPSFJRHSA-N 404.595 5.110 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 225847792 WVFCTFLGVCWCTF-QHCPKHFHSA-N 407.551 5.212 0 40 HKAB Cc1ccc(CNC(=O)c2sc3nc(C(F)(F)F)c4c(c3c2N)CCCC4)cc1 257173395 LWPMNDFBDZVQGB-UHFFFAOYSA-N 419.472 5.015 0 40 HKAB CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(Cl)c1OC 408556365 JYJWHVMCRQHMHT-UHFFFAOYSA-N 405.119 5.775 0 40 HKAB S=C(NCCc1ccccc1)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 408574290 LNMMMABZQSQIMR-UHFFFAOYSA-N 416.373 6.080 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccc(F)cc2)cc1 408697943 KFFHTLAEYYGDNX-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB O=C1S/C(=C\c2ccccc2OCc2cccc(F)c2)C(=O)N1c1ccccc1 408820171 VURUGJXDEWJDHN-STZFKDTASA-N 405.450 5.646 0 40 HKAB CCN1C(=O)S/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C1=O 409142578 AJNJTVAFRNNPNM-GRSHGNNSSA-N 414.889 5.538 0 40 HKAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1 409167768 MYUNDHVTTFOMMV-UHFFFAOYSA-N 416.373 6.324 0 40 HKAB Cc1cccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)c1 409330858 MISOSZNVVCQXPX-HHHXNRCGSA-N 404.513 6.361 0 40 HKAB CCCc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccccc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 585265234 ZNWBGXCXYRKWKK-HOUBMWHVSA-N 408.538 5.590 0 40 HKAB Cc1c(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)oc2ccccc12 702341 CNMVBVVHPRZGBI-UHFFFAOYSA-N 415.927 5.791 0 40 HKAB CC1(C)C=Cc2c(c3c(c4c(=O)c(-c5ccc(O)cc5)coc24)OC(C)(C)CC3)O1 756489 FMCWKGDGAHVFMC-UHFFFAOYSA-N 404.462 5.453 0 40 HKAB biogenic,in-vitro CC(C)(C)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Cl 1000812 YASPNGCWYWYBAG-UHFFFAOYSA-N 410.739 5.309 0 40 HKAB CCOc1ccccc1NC(=O)c1sc2nc(-c3cccc(OC)c3)ccc2c1N 1026470 AKPICIFSMIUXEU-UHFFFAOYSA-N 419.506 5.205 0 40 HKAB CCOC(=O)c1ccc(NC(=O)Nc2ccc(SC)cc2)cc1N(CC)CC 1741766 PDIKWEDUIQSNND-UHFFFAOYSA-N 401.532 5.075 0 40 HKAB CCC(=O)N(CC[C@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccccc1 1771887 HZACOFWZKYPXFH-HHHXNRCGSA-N 415.577 6.435 0 40 HKAB biogenic COc1ccc(-c2cc(=O)oc3c(C)c4occ(-c5ccc(Cl)cc5)c4cc23)cc1 2119194 XBQWLTQIIGQCNW-UHFFFAOYSA-N 416.860 6.844 0 40 HKAB biogenic CCCCSc1nc2c(c(=O)n1CCCC)C1(CCCCC1)Cc1ccccc1-2 2280382 RUVMCCXDORSXAG-UHFFFAOYSA-N 410.627 6.361 0 40 HKAB CCOP(=O)(OCC)[C@H](Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 2373057 BMKMSESLGWFBTE-KRWDZBQOSA-N 405.328 6.221 0 40 HKAB CCOc1cc2c3c(c1)-c1c(sn(-c4ccccc4)c1=S)C(C)(C)N3C(=O)C2=O 2377948 HKZJXHNCHXMJBK-UHFFFAOYSA-N 422.531 5.112 0 40 HKAB CCCSc1nc(NC[C@H]2CCCO2)c2c3c(sc2n1)CO[C@](C)(CC)C3 2424760 KJXBNJDQKZQPKC-ZUOKHONESA-N 407.605 5.026 0 40 HKAB COc1ccc(NCN2C(=O)S/C(=C\c3ccc(Cl)cc3Cl)C2=O)cc1 3015042 OQPIHXIGPCTJMH-PXNMLYILSA-N 409.294 5.108 0 40 HKAB Cc1ccc(C2=N/C(=C/c3c(OCc4ccccc4)ccc4ccccc34)C(=O)O2)cc1 3073059 OHJSVQIYUJVIDV-KOEQRZSOSA-N 419.480 6.072 0 40 HKAB CCOC(=O)c1sc(NC(=O)c2cccc(C(F)(F)F)c2)nc1-c1ccccc1 3189858 WZEYSYHMBBJQSG-UHFFFAOYSA-N 420.412 5.258 0 40 HKAB Cc1oc2cc(OCC(=O)c3ccc(F)cc3)ccc2c(=O)c1-c1ccc(F)cc1 3219881 MJGNMMNVCNFCBG-UHFFFAOYSA-N 406.384 5.308 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 3337020 XCOAGIGKCUQKRQ-UHFFFAOYSA-N 418.301 6.038 0 40 HKAB C[C@@H](OC(=O)/C=C/c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C(C)(C)C)cc1 3358566 LSUZRYXCPDIPOF-TZWLIRKLSA-N 405.321 6.119 0 40 HKAB COc1cccc(NC(=O)[C@@H](Sc2nnc(-c3ccccc3)o2)c2ccccc2)c1 3563065 GQGSFWMNJHOSDH-FQEVSTJZSA-N 417.490 5.217 0 40 HKAB S=c1sc2c(N3CCCCC3)nc(-c3ccccc3)nc2n1-c1ccccc1 3627365 FEZKTSREXOBHBJ-UHFFFAOYSA-N 404.564 5.869 0 40 HKAB O=C(c1ccccc1)c1coc(-c2ccc(Cl)cc2)c1S(=O)(=O)c1ccccc1 3849342 HBTAHQNYQRQRBS-UHFFFAOYSA-N 422.889 5.664 0 40 HKAB biogenic CCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)NCc1ccc(OC)cc1)CC2 4222670 LZUJIURAHOETGM-GHTZIAJQSA-N 409.570 5.158 0 40 HKAB biogenic,in-vitro CCOc1ccc2nc(Cl)c([C@@H]3NC(=O)c4c(sc5c4CCCC5)N3)cc2c1 5007459 JQYPCEZXPBUCQQ-LJQANCHMSA-N 413.930 5.081 0 40 HKAB COc1ccccc1Cn1c(-c2cccc(Cl)c2)nc2nc3ccccc3nc21 5066392 OIUYSYPXYZYTHG-UHFFFAOYSA-N 400.869 5.357 0 40 HKAB CCOc1ccc(-n2c(SCc3cc(C)on3)nnc2-c2cccc(C)c2)cc1 5259854 NCIFRNBFABECLK-UHFFFAOYSA-N 406.511 5.230 0 40 HKAB COc1cccc(Nc2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)c1 5266647 YYUWEQJTHCZMCU-UHFFFAOYSA-N 420.944 6.408 0 40 HKAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(SC)cc1 5520860 CFRFTDQLCKDVBT-UHFFFAOYSA-N 406.429 5.896 0 40 HKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C1=O 5552409 DJZPOUJSWMEROL-UYRXBGFRSA-N 401.915 5.755 0 40 HKAB O=C(CSc1nc2ccccc2o1)N1c2ccccc2OC[C@H]1c1ccccc1 6651977 LUWNETMNUTULKS-IBGZPJMESA-N 402.475 5.087 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1N1CCCCC1 6815565 SJNJGJMZYBGYND-CSKARUKUSA-N 409.744 6.289 0 40 HKAB Cn1cccc1CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 6820865 QMRYIRFINXIUIL-UHFFFAOYSA-N 402.567 5.863 0 40 HKAB Cc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1 6966452 DSVAZRIBNIPLKR-NDEPHWFRSA-N 418.540 6.669 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@H](Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 7279339 HUBOQYXJZKJCSG-RUZDIDTESA-N 409.489 5.331 0 40 HKAB O=c1[nH]c(CNc2ccc(N3CCCCC3)cc2)nc2scc(-c3ccccc3)c12 7738527 HDDLAHRNTUNQOY-UHFFFAOYSA-N 416.550 5.254 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 7922842 NWRFJECEBYIJPQ-CVEARBPZSA-N 411.596 5.207 0 40 HKAB O=C(c1ccc(COc2ccccc2)o1)N1CCC(c2nc3ccccc3s2)CC1 8071544 ZHJHKTCVJXLQCW-UHFFFAOYSA-N 418.518 5.488 0 40 HKAB CC(=O)N(c1nc(COc2cccc(Cl)c2Cl)cs1)c1ccccc1F 8391933 IZZKBWLANMZDSH-UHFFFAOYSA-N 411.285 5.853 0 40 HKAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)Nc1cccc2ccccc12 8410175 GUVVCTIWILGNOS-UHFFFAOYSA-N 419.550 5.421 0 40 HKAB Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc1O2 8961318 HBTURYMZVJSFPS-UHFFFAOYSA-N 422.506 5.277 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc(C(c3ccccc3)c3ccccc3)o2)c1 9199887 QOGPKSVHYJRGSV-UHFFFAOYSA-N 415.518 5.289 0 40 HKAB Cc1cc2nc(N(CCCN(C)C)C(=O)c3nc4ccccc4s3)sc2cc1C 9708064 LTIUQCIYZDWZHV-UHFFFAOYSA-N 424.595 5.121 0 40 HKAB COc1ccc(SCCC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 10219561 QHKZLSOEYDEPBV-UHFFFAOYSA-N 412.536 5.142 0 40 HKAB Cc1ccccc1[C@@H](C)NCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 13041900 VNJMQRCARAFLIM-QGZVFWFLSA-N 406.913 5.169 0 40 HKAB C[C@H](NC(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 13063589 FKCDPOLRFRSRCW-DOTOQJQBSA-N 413.974 5.007 0 40 HKAB COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC(=O)N2c2ccccc2)cc1 13122088 YZZHNVFJPXZURZ-HSZRJFAPSA-N 410.477 5.331 0 40 HKAB CCCCOc1ccc(C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1 13483820 RGHUIMOXDXKSCI-UHFFFAOYSA-N 407.514 5.275 0 40 HKAB Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 14152997 YRDAYEWTRFVVSZ-UHFFFAOYSA-N 404.510 5.162 0 40 HKAB CC(C)C[C@H](NC(=O)c1ccc(C(C)C)cc1)C(=O)Nc1ccc(F)c(Cl)c1 15079876 RPTGLKRMSVHJEY-FQEVSTJZSA-N 404.913 5.386 0 40 HKAB Cc1ccccc1CN(C(=O)Nc1ccc(Cl)cc1)c1nnc2n1CCCCC2 16769807 MHHPLORWHWWMNG-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB CCCOc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)cc1 17137648 NBVZQDPNIAATDH-UHFFFAOYSA-N 423.438 6.848 0 40 HKAB CCCc1ncc(-c2cc(C)no2)c([C@H]2CCCCN2C(=O)CC2CCCCC2)n1 19525509 PZYCGLNUNZKMOK-HXUWFJFHSA-N 410.562 5.417 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1 20049762 OIGIDCYWYZHFFZ-QHCPKHFHSA-N 405.494 5.593 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1 20144123 FRNUAWFLBWHDDG-UHFFFAOYSA-N 413.901 5.542 0 40 HKAB c1ccc(C(c2ccccc2)N2CCN(CCOc3cccc4ccccc34)CC2)cc1 20841158 SNOAIVYYAVGEGQ-UHFFFAOYSA-N 422.572 5.626 0 40 HKAB O=C(CCc1nnc(-c2ccccc2)o1)Nc1ncc(Cc2cccc(Cl)c2)s1 21617864 YPDAUYCDUFDENW-UHFFFAOYSA-N 424.913 5.009 0 40 HKAB Cc1ccccc1-n1cc(-c2ccccc2)c2c(NCc3ccc(F)cc3)ncnc21 21797958 JATWKLAHPQRDQZ-UHFFFAOYSA-N 408.480 6.147 0 40 HKAB Cc1cc(C)c([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C 22540712 YYPGLDJKAXRLGM-ZDUSSCGKSA-N 412.839 5.100 0 40 HKAB COC(=O)c1c(NC(=O)c2sc(C)nc2C)sc2c1CC[C@@H](C(C)(C)C)C2 28540161 CCZQALKNNKHLKF-GFCCVEGCSA-N 406.573 5.011 0 40 HKAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccccc1N1CCc2ccccc21 31532411 CITJPSPBRWTIGB-UHFFFAOYSA-N 409.489 5.525 0 40 HKAB CCCCc1ccc2nc(NC(=O)COc3cc(C)c(Cl)c(C)c3)sc2c1 32119054 XQNNEBKDISYENC-UHFFFAOYSA-N 402.947 5.927 0 40 HKAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cc(OC)cc(OC)c1 33879974 NWUXYINYFNHWIO-UHFFFAOYSA-N 424.353 5.581 0 40 HKAB Cc1cc(C)c(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c(C)c1 38856104 ZECRHRMMXJLDBT-UHFFFAOYSA-N 405.369 5.769 0 40 HKAB CCN(Cc1ccccc1)Cn1c(=S)n(CCc2ccccc2)c2ccccc21 57395102 IJODFIIMRZCHIS-UHFFFAOYSA-N 401.579 5.895 0 40 HKAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3C(C)C)o2)c1C 59176092 NBHRMNIZDNFGJI-UHFFFAOYSA-N 411.527 5.120 0 40 HKAB CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)cc1 59483732 OYHSYYUIMVKPFD-VWLOTQADSA-N 400.522 6.370 0 40 HKAB Cc1ccc(-c2cc3c4nnc(SCc5cc(F)ccc5F)n4ccn3n2)cc1C 67260647 FTAMDLYZJFUBSH-UHFFFAOYSA-N 421.476 5.231 0 40 HKAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72214887 XXJPLDXGQVXLMA-GOSISDBHSA-N 419.566 5.694 0 40 HKAB CC(=O)Nc1ccc(Cl)cc1NC(=O)c1nc(-c2ccccc2)n2c1CCCCC2 84796816 UMILCRVFQMDUHY-UHFFFAOYSA-N 422.916 5.141 0 40 HKAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccccc2OCc2ccccc2F)S1 85412269 XIEAMKGPTGTQND-HXUWFJFHSA-N 411.502 5.362 0 40 HKAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1[C@@H]3C[C@H](c4ccccc43)[C@@H]12 101044578 WKKQGHSXCFJKSR-TYFWRFQUSA-N 406.136 5.164 0 40 HKAB O=C1[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@]1(Cl)C(Cl)=C(Cl)C[C@@]21Cl 104260140 JVMCOWBFDITPOH-XFWSIPNHSA-N 421.749 5.275 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1C(C)C 223337019 KZCCGFGSPBQQQS-OAQYLSRUSA-N 422.613 5.850 0 40 HKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223352707 GEAHUJGXCIALOD-IIBYNOLFSA-N 403.950 5.815 0 40 HKAB COc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1C(C)C 223762526 PKBVSYGJHKNJHR-VWLOTQADSA-N 423.578 5.503 0 40 HKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 223787566 KSQRRJINMAQLOQ-FGZHOGPDSA-N 406.555 5.040 0 40 HKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(Cl)c(C)c3)c2)cc1 224206472 PTVWDQBNDLGDEE-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccco2)N1c1ccc(Oc2ccccc2)cc1 224624723 ZCXTZOBOIPLBNT-XZOQPEGZSA-N 413.502 5.644 0 40 HKAB CC[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(OC)c(C)c1 225190895 IICFNJQMHBNIBZ-SFHVURJKSA-N 412.382 5.811 0 40 HKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(Br)cc2F)C(C)C)c(C)c1 225765197 TUBXEXYYMLPAQS-SFHVURJKSA-N 409.368 5.889 0 40 HKAB CCOCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c(C)n1 225868906 OVBCTPHKTLZIBZ-UHFFFAOYSA-N 416.949 5.299 0 40 HKAB COc1ccc(Cl)cc1C(=O)N1c2ccccc2Sc2ccc(Cl)cc21 226363542 MKVWIAKWKMNFKL-UHFFFAOYSA-N 402.302 6.445 0 40 HKAB O=C(O)c1ccc2nc(-c3ccc(OCc4c(Cl)cccc4Cl)cc3)[nH]c2c1 256027882 HXJNVKFHMQBQKI-UHFFFAOYSA-N 413.260 5.814 0 40 HKAB O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@H](Cc2ccc3ccoc3c2)CC1 257271932 NAJUXJCTAGUXQE-FQEVSTJZSA-N 413.521 5.163 0 40 HKAB CCc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(CC)c1-c1ccc(F)cc1 408561756 KXLLHKJVJZNUCO-RWEWTDSWSA-N 410.558 5.977 0 40 HKAB S=C(NCc1ccccc1Cl)c1ccc(OCc2ccccc2Cl)cc1 408578864 ZZGQXFMAGVNWEH-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB O=C(NC(=S)NCc1ccccc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 408628528 UNHNQCVTYSBLIK-UHFFFAOYSA-N 405.306 5.058 0 40 HKAB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(C(=O)O)cc2)C1=O 408815480 QJWAWRXRHIFSLM-AWKYKOFISA-N 421.542 5.439 0 40 HKAB Clc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccccc2)cc1 409098970 NARIQEATMUMAKR-UHFFFAOYSA-N 412.345 6.533 0 40 HKAB CCCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)c2ccccc21 409110970 ZVERIRNORMWNEV-STZFKDTASA-N 421.899 6.355 0 40 HKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)c2ccccc21 409121272 UJHUCKJJWDHNID-JWGURIENSA-N 403.909 6.216 0 40 HKAB CCOc1ccc(NCc2cc(Cl)c(OCc3ccccc3)c(OCC)c2)cc1 409122382 XMDGQXYHQJRSKT-UHFFFAOYSA-N 411.929 6.329 0 40 HKAB CC(C)Cn1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 409131873 YTYMUKBFQRWQCX-NHDPSOOVSA-N 408.498 5.673 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(Br)cc3)cc2)cc1 409183531 VFDHVUVHMYEROE-UHFFFAOYSA-N 424.294 5.367 0 40 HKAB O=C(O)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1 409197683 MCPJPVGSCJSOMR-UHFFFAOYSA-N 406.221 5.116 0 40 HKAB O=C(CCC(=O)Nc1c(Cl)cccc1Cl)Nc1c(Cl)cccc1Cl 671421 CFEDURZRISXFRT-UHFFFAOYSA-N 406.096 5.658 0 40 HKAB CCc1ccc2oc(-c3cccc(NC(=O)COc4ccc(C)c(C)c4)c3)nc2c1 1413923 POBFPWMUIFGTPN-UHFFFAOYSA-N 400.478 5.692 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N(C(=O)N1CCCCC1)c1ccccc1 1651719 GOYALCDANNUROC-UHFFFAOYSA-N 400.906 5.137 0 40 HKAB C1=C[C@H](c2ccccc2)c2c(-c3ccccc3)oc(-c3ccccc3)c2[C@H]1c1ccccc1 1718662 LPPKTYKSMWNKPR-VSGBNLITSA-N 424.543 8.447 0 40 HKAB Cc1cccc(Oc2coc3cc(O[C@H](C)C(=O)OCCC(C)C)ccc3c2=O)c1 1769976 OKIAHRKMCJOOEW-QGZVFWFLSA-N 410.466 5.250 0 40 HKAB biogenic CCCCOc1ccc(C(=O)Nc2ccc(I)cc2CC)cc1 1847461 IELPDDUNUZPCDX-UHFFFAOYSA-N 423.294 5.285 0 40 HKAB CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1OCC)Nc1ccccc1-2 2083777 MRHHGOXKQPWSBD-FQEVSTJZSA-N 408.527 5.333 0 40 HKAB COc1cccc(Oc2c(C)oc3cc(OCc4ccccc4C)ccc3c2=O)c1 2098710 YBNQJWKZOUPLSY-UHFFFAOYSA-N 402.446 5.790 0 40 HKAB biogenic O=C(Nc1cccc(Cl)c1)Nc1nnc(Cc2cccc(Br)c2)s1 2366173 INGNXCGJNYZCBG-UHFFFAOYSA-N 423.723 5.189 0 40 HKAB O=C(c1cccc(Oc2nc(-c3ccccn3)nc3ccccc23)c1)N1CCCCC1 2394129 VPMXPHHTNFDPER-UHFFFAOYSA-N 410.477 5.110 0 40 HKAB CN(c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1)C1CCCCC1 2714026 FGCCDQXRAHYXRT-UHFFFAOYSA-N 400.501 5.996 0 40 HKAB C/C=C/C=C/C(=O)Nc1ccc(-c2nc3cc(NC(=O)/C=C/C=C/C)ccc3[nH]2)cc1 3146592 XNUWQWXHNRAEOX-MIIZMDLZSA-N 412.493 5.372 0 40 HKAB CN(C(=S)Nc1ccc(SC(F)F)cc1)C(c1ccccc1)c1ccccc1 3290766 WZTLCWSLPYGVKC-UHFFFAOYSA-N 414.546 6.420 0 40 HKAB Brc1ccc(Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 3315172 BYUBKBIFTGOGMO-UHFFFAOYSA-N 413.384 7.364 0 40 HKAB O=C(c1ccc(Nc2ncnc3ccccc23)cc1)N1CC=C(c2ccccc2)CC1 3331549 ZRBGKKLTKQBQCW-UHFFFAOYSA-N 406.489 5.303 0 40 HKAB CSc1ccc(CN(C)C[C@@H](O)CO[C@H](c2ccccc2)c2ccc(C)cc2)cc1 3337948 NXDKGKAEGNEFPJ-AOYPEHQESA-N 421.606 5.316 0 40 HKAB Cc1c(C(=O)NCCCN2CCCC[C@H]2C)cc(-c2ccccc2)n1-c1ccccc1 4370007 AZVFYRVCSIHLKF-OAQYLSRUSA-N 415.581 5.447 0 40 HKAB CCOC(=O)[C@H](CC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 5049428 WHCRQVCMGLGHED-MUUNZHRXSA-N 420.552 6.758 0 40 HKAB CCN1CCN(c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2Cl)CC1 5377850 SBKUSEABBNXPMM-UHFFFAOYSA-N 412.748 5.041 0 40 HKAB COc1ccc(CNCC[C@@H](CCC(C)C)c2ccc(OC(C)C)cc2)cc1OC 5477643 DMCQEBYHMSYASW-HSZRJFAPSA-N 413.602 6.191 0 40 HKAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 5657509 QMQXJMAHLPOFBN-ROUUACIJSA-N 424.566 5.012 0 40 HKAB COC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 6441010 ODKFDIWIQLRFNV-UHFFFAOYSA-N 407.278 5.156 0 40 HKAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)cc1 6590578 CNPSATFFYOVMMM-INIZCTEOSA-N 410.543 5.471 0 40 HKAB Cc1noc(C)c1CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccccc1 6902377 HQHGCLDISMGWQU-UHFFFAOYSA-N 411.552 5.020 0 40 HKAB CCn1c(SCC(=O)c2cn(CC)c3ccccc23)nnc1-c1ccccc1F 7459222 CCBSVNNKSHXFQP-UHFFFAOYSA-N 408.502 5.054 0 40 HKAB O=C(CN(Cc1ccco1)Cc1ccco1)Nc1cc(C(F)(F)F)ccc1Cl 7725658 VODGNKVBPCONRL-UHFFFAOYSA-N 412.795 5.186 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)c1 8174419 UAULNHONHVSDSB-ZDUSSCGKSA-N 405.445 5.385 0 40 HKAB CCOc1cc(CNC[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl 8254587 JUGZWQXSLYITPV-GOSISDBHSA-N 410.341 5.240 0 40 HKAB COc1cc(CNCCc2ccc(F)cc2)ccc1OCc1ccc(F)cc1Cl 8471729 UFTLEYLIEPGCNP-UHFFFAOYSA-N 417.883 5.538 0 40 HKAB Cc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 8743126 SZFFOXDITBYPHE-UGKGYDQZSA-N 423.310 5.901 0 40 HKAB COc1cccc(-c2nnc(SCc3ccc(C)cc3)n2-c2ccc(Cl)cc2)c1 9233158 NOQIFAVYRDLMGX-UHFFFAOYSA-N 421.953 6.197 0 40 HKAB COc1ccc(-c2csc(NC(=O)Cc3cccc(C(F)(F)F)c3)n2)cc1OC 9535187 ZISBIIMIOIXLAG-UHFFFAOYSA-N 422.428 5.027 0 40 HKAB CCOc1ccc(-c2cc(=O)c3ccc(NC(=O)c4cccc(OC)c4)cc3o2)cc1 9660307 QZJIIVGHASQHNY-UHFFFAOYSA-N 415.445 5.120 0 40 HKAB biogenic CC(C)C(=O)N1N=C(c2cc(Cl)ccc2Cl)C[C@@H]1c1ccc2nccnc2c1 12321260 QGVWWJOLVNYEOX-HXUWFJFHSA-N 413.308 5.270 0 40 HKAB COc1ccc(COC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)cc1F 12537604 NYSDIOIMMFNYOD-FTRDYKAISA-N 422.540 6.033 0 40 HKAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1C 12764237 FTZWKNHQAGCXLJ-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB CN(CCOc1ccc(Cl)cc1)C(=O)c1cc(-c2ccco2)nc2ccccc12 12987408 CENYOCBUMDTJBE-UHFFFAOYSA-N 406.869 5.299 0 40 HKAB CC(=O)N[C@H](CC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(C)cc1 13006682 ZALDENOCLSAFJV-JOCHJYFZSA-N 413.477 5.009 0 40 HKAB CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccc3ccccc3c2)cc1 13030922 KKIVAUAGJNLMCS-JOCHJYFZSA-N 418.584 7.588 0 40 HKAB COc1ccc(N2C(=O)C=C(c3ccc(F)cc3)/C2=C/Nc2ccccc2Cl)cc1 13399043 DZZNKUKNAZJXGF-HAHDFKILSA-N 420.871 5.871 0 40 HKAB COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(F)cc3)[nH]2)cc1Br 13598538 BMRMRMXYXXLYTO-UHFFFAOYSA-N 423.285 6.321 0 40 HKAB Clc1ccc(-c2nnc(CSc3nnc(-c4cccs4)n3C3CC3)o2)cc1 14139824 FVHOMZUOTGEPGE-UHFFFAOYSA-N 415.931 5.337 0 40 HKAB Cc1sc2ncnc(Sc3nnc(-c4ccccc4Br)o3)c2c1C 14240460 CQFRWSOBWDLBHN-UHFFFAOYSA-N 419.329 5.272 0 40 HKAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)C2CCCCC2)cc1C 17248824 LOKDBJOTXKPEJO-UHFFFAOYSA-N 402.538 5.567 0 40 HKAB C[C@@H](CCN1CCC([C@@H](NC(=O)C(C)(C)C)c2ccccn2)CC1)c1ccccc1 19455616 ZEUFVUZSURBMIG-GBXCKJPGSA-N 407.602 5.191 0 40 HKAB Cc1nn2c(ncc3c(=O)n(-c4ccccc4C(F)(F)F)ccc32)c1-c1ccccc1 19818797 IEVBHUQPNXPVSG-UHFFFAOYSA-N 420.394 5.028 0 40 HKAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1ccc2ccccc2c1 20109057 HPLCHKKYQGUIGZ-QHCPKHFHSA-N 404.510 5.166 0 40 HKAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CCc1ccc(Cl)cc1)C3 20403844 XVJLAYJXYMBVMV-UHFFFAOYSA-N 404.293 5.057 0 40 HKAB CC(C)OC(=O)c1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 20528547 ZNNJWOQCHVORAX-UHFFFAOYSA-N 412.283 5.420 0 40 HKAB Cc1ccc(NC(=O)[C@H](NC2CC(C)(C)NC(C)(C)C2)c2ccccc2)cc1Cl 23408611 UYZOZODUTSXWQC-OAQYLSRUSA-N 413.993 5.227 0 40 HKAB Cc1ccc([C@@H](NC(=O)CCc2nnc(-c3ccsc3)o2)c2ccccc2)cc1C 25032812 ORZTYCYWKXLGQD-QHCPKHFHSA-N 417.534 5.253 0 40 HKAB Cc1ccccc1OCC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 27744416 GXFYNEWAUFRIEL-FQEVSTJZSA-N 418.924 5.457 0 40 HKAB O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)C(c1ccccc1)c1ccccc1 32106251 RCWQNGHQIJQPNY-UHFFFAOYSA-N 421.456 5.366 0 40 HKAB Cc1cc(OCC(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc(C)c1Cl 32127217 DJEBUXMSJFNPEI-UHFFFAOYSA-N 415.729 5.891 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3c[nH]c(=S)n3-c3ccccc3)sc2C)cc1 32858139 ZLOQMBWBCAKAJS-UHFFFAOYSA-N 422.535 5.228 0 40 HKAB CC(C)(CCC(=O)Nc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12 34132467 QPKJHEZTBSKTQV-UHFFFAOYSA-N 410.517 6.377 0 40 HKAB C[C@H](NC(=O)CN[C@@H](c1cccs1)C(C)(C)C)c1ccc(Br)cc1 40155746 UOKVPPMLSNPROL-UGSOOPFHSA-N 409.393 5.065 0 40 HKAB O=c1[nH]c2ccccc2nc1SCc1csc(C23CC4CC(CC(C4)C2)C3)n1 55104348 PCULNYRXWQHTJU-UHFFFAOYSA-N 409.580 5.140 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N[C@@H]1CCc2cc(Cl)ccc21 60015128 DLGMHVHRXFCFJT-QGZVFWFLSA-N 404.272 5.044 0 40 HKAB COc1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1Cl 64471907 HPZTUAVTDRTLKB-UHFFFAOYSA-N 413.880 5.406 0 40 HKAB O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1nc(Cl)ccc1Cl 65576523 YESOYTBWDCRKGM-UHFFFAOYSA-N 407.301 5.049 0 40 HKAB C[C@@H](CCN1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 72398594 PLPUHLFQJZSMBX-SSPYTLHUSA-N 407.602 5.191 0 40 HKAB CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(O)=C2[C@H]1c1ccco1 102587735 AQDGLCZMSHGLTI-IZHWHUGBSA-N 402.450 5.833 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccccc3)CC2)cc1C(C)C 223348643 USNNYRORXMJVDO-FQEVSTJZSA-N 408.586 5.216 0 40 HKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C(C)C 224429877 QTYHDENAYPZZJC-FCHUYYIVSA-N 408.546 5.397 0 40 HKAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1Cl 225533021 CDSSQSBAIPCFIZ-MRXNPFEDSA-N 417.933 5.213 0 40 HKAB COC(=O)c1cc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)ccc1Cl 225660252 LFNFZPMRAIVGRI-CQSZACIVSA-N 404.963 5.169 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c2ccccc12 225781779 DWOUEJWOVFSMJZ-UHFFFAOYSA-N 419.521 5.324 0 40 HKAB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)c2cccnc12 225896253 JKKAWKOYRILYFX-UHFFFAOYSA-N 414.590 6.220 0 40 HKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccc(Cl)c(F)c1)C[C@]2(C)NC(=O)C1CCCC1 257232003 GIYURIXZNFOGPD-SLHNMUTGSA-N 407.957 5.810 0 40 HKAB CCc1s/c(=N\C(=O)c2cccc(OC)c2)n(CC)c1-c1ccc(Cl)cc1 408564485 YTACNPCXQDFLAL-LNVKXUELSA-N 400.931 5.202 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 409006401 JHTQPMQWYNPOPJ-UHFFFAOYSA-N 419.506 5.149 0 40 HKAB CCc1ccc(NCc2cc(Br)ccc2OCc2ccccc2F)cc1 409115836 HQPSTHXDCKEZMU-UHFFFAOYSA-N 414.318 6.342 0 40 HKAB CCOc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2)cc1 409119919 UJQCWMBKPWNTKL-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@@H](c2ccccc2)N3)cc1 409136913 UAFNHTZVETZYOY-QJORRVHFSA-N 408.545 6.544 0 40 HKAB COc1ccc2[nH]cc(-c3csc(NC(=O)[C@H](CC(C)C)n4cccc4)n3)c2c1 575443034 FGJLJGIKJSCCTJ-FQEVSTJZSA-N 408.527 5.327 0 40 HKAB CCC[C@@H]1CCc2c(sc(NC(=O)c3c(Cl)cccc3Cl)c2C(N)=O)C1 670387 LYPWDLYVBZRSIW-SNVBAGLBSA-N 411.354 5.311 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3o2)cc1 865587 IQEYFUGCRXNURW-UHFFFAOYSA-N 413.260 6.063 0 40 HKAB Cc1cccc2cc(CN(Cc3cccnc3)C(=O)c3ccccc3F)c(Cl)nc12 1367612 JVFKYTYNNXWDCJ-UHFFFAOYSA-N 419.887 5.573 0 40 HKAB Cc1cc(C)c2cc(CN(C(=O)Nc3ccccc3F)C3CCCCC3)c(=O)[nH]c2c1 1371249 HFNHDSUBKDUKSY-UHFFFAOYSA-N 421.516 5.651 0 40 HKAB CCc1ccc([C@H]2N(c3ccc(Cl)cc3)N=C(C(C)=O)N2c2ccccc2)cc1 2177854 QCFAFXRZLXUSCW-XMMPIXPASA-N 403.913 5.830 0 40 HKAB COc1cccc(-c2nnc(SCc3cc(C)ccc3C)n2Cc2ccco2)c1 2204874 INIFHKYFCACJKA-UHFFFAOYSA-N 405.523 5.504 0 40 HKAB Cc1ccc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)cc1Cl 2252744 XZYVAWHDQCSZSS-UHFFFAOYSA-N 422.916 5.321 0 40 HKAB O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccc(Cl)cc1Cl 2401871 REFCFGAVDMOVHX-UHFFFAOYSA-N 404.278 5.414 0 40 HKAB Cc1cccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc4c(cc32)OCO4)c1 2688860 QZVWBBDIHSCAIP-UHFFFAOYSA-N 411.436 5.428 0 40 HKAB CCCCSc1nnc2c(n1)O[C@H](c1ccc(SC)cc1)Nc1ccccc1-2 2741718 VWBGHDUCSGHLDF-LJQANCHMSA-N 410.568 5.656 0 40 HKAB CCc1ccc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)c3ccccc3n2)cc1 2741883 VOOIFXKPQRZOQL-UHFFFAOYSA-N 404.872 6.509 0 40 HKAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1Cl 3377742 IKTDQALNMOJHKI-SNVBAGLBSA-N 412.338 5.284 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1 3434079 YLCGIXVKZXCLAA-UHFFFAOYSA-N 406.492 6.023 0 40 HKAB CCCCCP(=O)(CCCCC)CCP(=O)(CCCCC)CCCCC 4091437 MQUBUPNHVDSEON-UHFFFAOYSA-N 406.572 8.473 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(F)cc2)cc1 4281966 RVQGFBUOVYBCBN-XUZZJYLKSA-N 404.441 5.085 0 40 HKAB O=C(Cc1cccs1)Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12 4353814 NQKXZTMVCVCUOT-UHFFFAOYSA-N 412.417 5.206 0 40 HKAB CC[C@H](NS(=O)(=O)c1ccc(Cl)c2ccccc12)C12CC3CC(CC(C3)C1)C2 4580381 SAXWMQLJKVDLJD-ZJTJJPTCSA-N 418.002 5.767 0 40 HKAB O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(-c2ccccc2)cc1 4740690 NZPKLVCCKFFQBD-UHFFFAOYSA-N 406.865 5.396 0 40 HKAB CC1(C)[C@@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1C1CCCCC1 4795184 CMKKVPGWDBSNHR-OAQYLSRUSA-N 422.529 5.289 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)c1 4835611 CNODQHOFPIMCCZ-UHFFFAOYSA-N 418.497 5.113 0 40 HKAB CCc1c(C)sc2nc(C(C)C)nc(SCC(=O)N3CCc4ccccc43)c12 4888830 HLEBLFCMTCNNEN-UHFFFAOYSA-N 411.596 5.367 0 40 HKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NCCC(C)C)c2c1 4895544 RATFUNTXAGGYSO-UHFFFAOYSA-N 411.546 5.253 0 40 HKAB CCOc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNC(c1ccc(Cl)cc1)=N2 6601943 UGRNKNWDZNWZOU-UHFFFAOYSA-N 410.304 5.826 0 40 HKAB COc1ccccc1OCc1nc2ccccc2n1CCCCOc1ccccc1C 6657746 GKDWTQYTWHMTJD-UHFFFAOYSA-N 416.521 5.792 0 40 HKAB CC(C)Sc1ccccc1C(=O)NCCSCc1ccc(Cl)cc1Cl 8499795 ILKRHUPUTYSJQT-UHFFFAOYSA-N 414.423 6.157 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccc(F)cc3)oc3ccc(Cl)cc3c2=O)cc1 9129309 OKYXKCWYYSYYKA-UHFFFAOYSA-N 423.827 5.513 0 40 HKAB CCNc1cc(C)nc(Nc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)n1 9573301 INFVGIJGWCVYGH-UHFFFAOYSA-N 423.520 5.880 0 40 HKAB COc1ccc([C@@H]2CCCN2Cc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 10036653 SKDQRHKFDGVTDY-SFHVURJKSA-N 403.404 5.101 0 40 HKAB O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(CN2CCCCC2)cc1 10313949 FIHDBPYNPGJYED-UHFFFAOYSA-N 407.739 5.341 0 40 HKAB Cc1ccc(Nc2nc(CSc3nnc(-c4c[nH]c5ccccc45)o3)cs2)cc1 11347367 AIMPGHALHLVNOR-UHFFFAOYSA-N 419.535 6.019 0 40 HKAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1csc(-c2ccco2)n1 12740807 NJKUDRPGTLTNRL-UHFFFAOYSA-N 419.293 5.207 0 40 HKAB CCCn1c(SCc2csc(-c3cccc(OC)c3)n2)nc2ccccc2c1=O 12790011 OXSUMBPAVUAMGO-UHFFFAOYSA-N 423.563 5.231 0 40 HKAB CC[C@H]1CCCCN1C(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 12844409 WISUXUPARUZWKV-ZDUSSCGKSA-N 413.465 5.029 0 40 HKAB COc1ccc(Br)cc1-c1nc(-c2ccccc2)c(-c2ccc(F)cc2)[nH]1 13563673 RDUYWIXGHVHTDH-UHFFFAOYSA-N 423.285 6.321 0 40 HKAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(Br)cc1 14071183 YLWGZZWKFACORX-UHFFFAOYSA-N 408.752 5.673 0 40 HKAB COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccc(F)cc3Cl)c2)cc1 15497440 WSVPXXUJTJQOMA-LFYBBSHMSA-N 409.844 5.636 0 40 HKAB COC(=O)c1cccc(Cn2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)c1 17082824 YATPBBUFIQOKOP-UHFFFAOYSA-N 404.416 5.330 0 40 HKAB C(=C1\CCc2c1nc1c(c2-c2ccccc2)CC/C1=C\c1ccccc1)\c1ccccc1 17107597 YPPVZSOXITUTQJ-XAESMMJOSA-N 411.548 7.722 0 40 HKAB CCCN(CCC)c1nc(Nc2ccc(C)cc2)c2cnn(-c3ccccc3)c2n1 17271725 BXLYFNLKJJVXJL-UHFFFAOYSA-N 400.530 5.494 0 40 HKAB CCCC(=O)N1CCCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 19501395 WLSZDNPZAJYDMB-NRFANRHFSA-N 419.504 5.275 0 40 HKAB COc1ccc(-c2ccccc2CC2(C(=O)NCc3cccs3)CCOCC2)cc1 19558375 SOWVBYLZNWXKNX-UHFFFAOYSA-N 421.562 5.079 0 40 HKAB COC(=O)c1ccc(Nc2nc(-c3ccc(C(C)C)cc3)c(CC(=O)O)s2)cc1 19894594 NILBNKSGIKQOJF-UHFFFAOYSA-N 410.495 5.091 0 40 HKAB O=C(Nc1ccccc1Cl)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 22072412 VTSZRYIKVZFOCB-UHFFFAOYSA-N 407.779 5.630 0 40 HKAB COc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2ccccc2C)cc1 28288727 PWPDIWPYHVXCOS-SANMLTNESA-N 414.505 5.112 0 40 HKAB Cc1cc([C@H]2CCCN2C(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)no1 29247764 HYLUFIFPRGWKKZ-MRXNPFEDSA-N 421.444 5.411 0 40 HKAB COc1ccc2[nH]c(SCc3ccc(C(=O)Nc4c(C)cccc4C)cc3)nc2c1 32117671 SGTSKANMENHVCZ-UHFFFAOYSA-N 417.534 5.733 0 40 HKAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cc1csc(-c2ccccc2Cl)n1 32753943 OSHPKGOWHYKVHD-AWEZNQCLSA-N 410.926 5.972 0 40 HKAB C[C@H](NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccccc1 37195909 QVMKACNLTBORMR-KGVIQGDOSA-N 417.578 5.217 0 40 HKAB COc1ccc([C@@H]2CCCN2C(=O)Nc2ccccc2CN(C)C2CCCCC2)cc1 40103372 VEHMVHAPCVINFD-VWLOTQADSA-N 421.585 5.829 0 40 HKAB CCc1nn2c(ncc3c(=O)n([C@@H]4CCCC[C@H]4C)ccc32)c1-c1ccc(F)cc1 40396760 DKRIOYMDFQIBNG-FOIQADDNSA-N 404.489 5.164 0 40 HKAB C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(C(C)(C)C)cc1 44905989 REZZNYQNGPCGNY-GHTZIAJQSA-N 413.005 5.727 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078983 KTQIHOZHGPWKLQ-UHFFFAOYSA-N 422.887 5.633 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4Cl)nccn3n2)cc1C 67289687 KEFHDYGCFWGPNE-UHFFFAOYSA-N 422.941 5.397 0 40 HKAB Cc1c(-c2nc(-c3ccc(Br)cc3)cs2)nnn1-c1ccc(F)cc1 67341682 RLSYFQFFKYBSHE-UHFFFAOYSA-N 415.291 5.268 0 40 HKAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1ccc3c(c1)OCO3)[C@@H]2O 71782829 JFDHIMAJTWDPBB-SABNAMAXSA-N 418.533 5.334 0 40 HKAB CCc1c(Br)c(N)c(Br)c2nc(-c3ccc(F)cc3)oc12 73642722 PREYLRQOVATSSX-UHFFFAOYSA-N 414.072 5.304 0 40 HKAB CCC(=O)N1N=C(c2ccc(CC)cc2)C[C@H]1c1cc2ccc(OC)cc2nc1Cl 95115948 LZHFVFBHWSDBCU-QFIPXVFZSA-N 421.928 5.547 0 40 HKAB O=C(NC1CCCCCC1)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96038161 VWBAOIGVNJEXKE-UHFFFAOYSA-N 416.500 5.384 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 97994258 KCGDBBUHWZVHTK-JMMZKRSASA-N 413.481 5.083 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cccc(F)c4)C3=C(O)C2)cc1 102879389 JZHCSAJBOWBPNJ-DWXRJYCRSA-N 414.480 6.463 0 40 HKAB Cc1ccc([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1C 218885638 SGLURHGGIZKUIR-INIZCTEOSA-N 418.375 5.620 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSc1ccc(Cl)cc1 222911185 AHJARGLCBDLANY-HXUWFJFHSA-N 405.991 5.703 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1CSc1ccc(C)cc1 224661427 QGTTVUAZIBVMPI-UHFFFAOYSA-N 405.563 6.555 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)NCc1cccc(CN2CCCCC2)c1 224703082 ZNOXDNOHAQSFHZ-UHFFFAOYSA-N 405.369 5.228 0 40 HKAB CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224711507 IZMKPLSOVCHKNJ-UHFFFAOYSA-N 401.915 5.134 0 40 HKAB CCCCc1ccc(NC(=O)CCc2ncc(-c3ccc(OC)cc3OC)o2)cc1 224871946 KZCBRJNEODBYIX-UHFFFAOYSA-N 408.498 5.273 0 40 HKAB O=C(c1ccc(F)cc1)N1CCS/C1=C/c1csc(NCc2ccccc2)n1 225256796 BQOXAKVSISWJLJ-XDHOZWIPSA-N 411.527 5.082 0 40 HKAB COC(=O)c1cc(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)ccc1Cl 225499772 VXJQYUYWYJWGMJ-IBGZPJMESA-N 420.962 5.209 0 40 HKAB Cc1ccc(OC[C@@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1C 225780990 SALSTHZEIOLMOD-LJQANCHMSA-N 423.940 5.733 0 40 HKAB COCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C(F)(F)F 225955149 JWCMOABXJLEYFP-UHFFFAOYSA-N 421.459 5.571 0 40 HKAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(Br)c1O 226243218 GUGNDSFYNGHZQR-SECBINFHSA-N 419.102 5.176 0 40 HKAB CC(C)N(c1ccc(N)cc1C(=O)Nc1c(Cl)cc(Cl)cc1Cl)C(C)C 226324618 SKCZPDLXEYUWSD-UHFFFAOYSA-N 414.764 6.105 0 40 HKAB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccc(C)cc1 408561335 HYFMVYQTYZZSJE-ATJXCDBQSA-N 405.350 5.901 0 40 HKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)N1CCCCCC1 408583542 IFBCMEQAYFJAJN-UHFFFAOYSA-N 423.538 5.049 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc4ccccc34)nn2-c2cccc(C)c2)c1 408698800 PPRGBELFUFYLTI-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)cc1C 409113689 FVGANNXIDVJBIG-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 409212178 PVEMVYGRPQNBSB-UDWIEESQSA-N 423.877 6.044 0 40 HKAB Cc1ccccc1CCNc1ccc2c(c1)CNCCCCCCCN2C(=O)C(C)C 643576637 YJWYHAACNFTNPJ-UHFFFAOYSA-N 421.629 5.692 0 40 HKAB CC(C)CC(=O)N1CCCCCCCN(C(=O)C2CCCCC2)Cc2ccccc21 643588580 ZMQJEEHCYCPIDS-UHFFFAOYSA-N 412.618 5.939 0 40 HKAB O=c1c2cc(-c3ccccc3)sc2[nH]c(=S)n1-c1ccc(Cl)cc1Cl 642595 TUAIRMZMGSWRHJ-UHFFFAOYSA-N 405.331 6.084 0 40 HKAB COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1c(-c2ccccc2)noc1C 998447 BEOZAXAVDAIVNH-UHFFFAOYSA-N 418.474 5.417 0 40 HKAB Cc1ccc2cc(CN(Cc3ccc(F)cc3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 1224612 BMZQCVGYZHRCNS-UHFFFAOYSA-N 421.516 5.020 0 40 HKAB Cc1sc(NC(=O)C2CCCCC2)nc1-c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 1366254 APGYYRMDRCUFAE-CQSZACIVSA-N 423.582 5.325 0 40 HKAB Cc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)cc1C 1842663 SNDQDPYKROMOMW-UHFFFAOYSA-N 423.512 6.175 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2ccccc2C)sc(C)c1-c1ccccc1 1944196 ZRCZWHLYDNTEKI-UHFFFAOYSA-N 409.507 5.226 0 40 HKAB COc1cc(NP(=O)(Oc2ccccc2)Oc2ccccc2)c(OC)cc1Cl 2055516 HBORGZNHSSCUBS-UHFFFAOYSA-N 419.801 6.035 0 40 HKAB CC(C)(C)CC(C)(C)c1ccc(OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)cc1 2187548 WYJCESOXVSTMSC-UHFFFAOYSA-N 413.402 6.372 0 40 HKAB biogenic Cc1ccc(-c2c(NC(=O)c3ccccc3)n(-c3ccc(C)cc3)nc(C)c2=O)cc1 2350930 QBSIKNKEXDSXAE-UHFFFAOYSA-N 409.489 5.077 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC)cc1 2447306 MNXIFKLJWFETNN-INIZCTEOSA-N 424.570 5.218 0 40 HKAB COc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4cccc(F)c4)cc2-3)cc1 2691329 VZCIRLYPSCBJDK-UHFFFAOYSA-N 413.452 5.408 0 40 HKAB Cc1ccccc1SCc1c(CSc2ccc(Cl)cc2)nn(C)c1Cl 3105809 VSCUFWYITYCDMT-UHFFFAOYSA-N 409.407 6.620 0 40 HKAB COC(=O)c1ccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 3223614 FOYIKFJKKVJKKS-UHFFFAOYSA-N 413.502 5.285 0 40 HKAB Fc1cc(Br)ccc1NC(=S)Nc1ccc(Oc2ccccc2)cc1 3255454 FSTMVTSDHJFUKV-UHFFFAOYSA-N 417.303 6.189 0 40 HKAB CCCSc1nnc(-c2ccc(Br)cc2)n1-c1ccc(OCC)cc1 3294075 PADKYSDBTXTSLA-UHFFFAOYSA-N 418.360 5.598 0 40 HKAB CCCOC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1 3432511 MIEFSRXBNOXFAU-UHFFFAOYSA-N 423.896 5.738 0 40 HKAB CCCc1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)OC)CCCCC3)cc1 3671200 OWWPNUGUKSIVDT-OAHLLOKOSA-N 415.555 5.162 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CCC(=O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 4040364 YSWDCQJTPYALJE-XPQNQJERSA-N 404.635 6.742 0 40 HKAB CCCCCC1CCC(c2ccc(-c3nc(-c4ccccc4Cl)no3)cc2)CC1 4256131 ISARQMOCAGTPIM-UHFFFAOYSA-N 408.973 7.911 0 40 HKAB O=C(Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12)c1ccc(F)cc1 4267822 XCXFHUWYJFHHMQ-UHFFFAOYSA-N 408.816 5.730 0 40 HKAB Cc1csc(SCc2cc(=O)c(OC(=O)c3cccc4ccccc34)co2)n1 4518838 GYFRFAQREKZWMH-UHFFFAOYSA-N 409.488 5.069 0 40 HKAB COc1ccc(OC)c([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)c1 4785267 LZDLFTBUTODGAA-CWTRNNRKSA-N 400.544 5.345 0 40 HKAB CN(Cc1ccccc1)C(=O)/C(=C/c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 4918275 KINPUCYLCGYVCA-VFCFBJKWSA-N 421.515 6.692 0 40 HKAB Cc1ccc(C2=NN(C(=O)c3ccccc3Br)[C@@H](c3ccco3)C2)cc1 5024856 AGQQFYCPTZSHJJ-LJQANCHMSA-N 409.283 5.342 0 40 HKAB CCOc1ccc(CC(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1 5136912 QFVQXUKAJKOTJH-UHFFFAOYSA-N 414.958 5.072 0 40 HKAB O=C(Nc1ccccc1Cl)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 5515509 AUACXALGRHOFMG-ZHZULCJRSA-N 411.288 5.403 0 40 HKAB C[C@@H](Sc1ncnc2sccc12)C(=O)NC(c1ccccc1)c1ccccc1 6115520 JUDAJAQMQHWKLT-OAHLLOKOSA-N 405.548 5.078 0 40 HKAB CCOc1c(Cl)cc(C(=O)Nc2ccc(C)cc2C)cc1OCc1ccccc1 6155241 DORKTYKQMPMJIM-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(NC(=O)c4ccco4)c(C)c3)o2)cc1C 6301374 GJXXZVFHAYMNNP-UHFFFAOYSA-N 414.461 5.969 0 40 HKAB CCOc1ccccc1N/C=C1/C(=O)N(c2ccc(C)cc2C)C(=O)c2ccccc21 6439864 MFTGWGARIQZBQQ-LTGZKZEYSA-N 412.489 5.342 0 40 HKAB CCCOc1ccc(-c2nonc2NC(=O)c2ccccc2Cl)cc1OCCC 6811501 UOABNVCBPZGYIH-UHFFFAOYSA-N 415.877 5.220 0 40 HKAB COc1ccc(S[C@@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)cc1 6976165 CZAUXULJYFXXBK-NSHDSACASA-N 400.550 5.575 0 40 HKAB Brc1ccccc1-c1nnc(COc2ccc(-c3ccccc3)cc2)o1 7263229 LSECRIPUNAOTHN-UHFFFAOYSA-N 407.267 5.745 0 40 HKAB C[C@@H]1C[C@@H](Sc2nnc(Cc3cccc4ccccc34)n2C2CCCCC2)C(=O)O1 8271398 XKWNSJOLWPSQEY-IIBYNOLFSA-N 421.566 5.323 0 40 HKAB Cc1ccccc1CSc1ncc(Cl)c(C(=O)Nc2ccccc2Cl)n1 9134791 LOHRGURKLZWOIH-UHFFFAOYSA-N 404.322 5.636 0 40 HKAB Cc1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4cccc(Cl)c4)OC3=O)cc2)cc1 9137239 QSOPBZLEADEGMC-BKUYFWCQSA-N 417.848 5.212 0 40 HKAB CC(C)c1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 9683301 KCKBGIJWNRQSAU-JOCHJYFZSA-N 403.913 6.715 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccsc3)ccc2Cl)c(C)c1 12605833 HPHVBFMKHDWLBU-UHFFFAOYSA-N 420.943 5.071 0 40 HKAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1ccc(C2SCCCS2)cc1 12765214 PASNYUVXLJCDHH-UHFFFAOYSA-N 417.596 5.235 0 40 HKAB COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1C(F)(F)F 12911838 RXNRFQOONRLFML-UHFFFAOYSA-N 421.440 5.110 0 40 HKAB Cc1ccc2nsnc2c1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 13945849 HORYIJVUYWZKQS-UHFFFAOYSA-N 404.278 5.819 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)c3ccc(CSc4ncn[nH]4)cc3)cc2)c1 14114358 CYPHSGFTDIZVPB-UHFFFAOYSA-N 416.506 5.450 0 40 HKAB CCOc1cc(C(=O)Nc2c(C)cc(C)cc2Cl)cc(Br)c1OC 14668890 WDFKXOALQAETEE-UHFFFAOYSA-N 412.711 5.379 0 40 HKAB Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc(O)cc(-c2ccncc2)n1 16840795 ATUBYDPRCQVQPK-UHFFFAOYSA-N 410.886 5.153 0 40 HKAB Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)NCc1cccnc1 17092904 WWDBDVADXTVYNG-UHFFFAOYSA-N 422.315 5.842 0 40 HKAB Cc1ccccc1C(=O)Nc1cccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1 17093342 PDQFQANLLLLSSU-UHFFFAOYSA-N 422.912 5.697 0 40 HKAB CCc1cc([C@H](c2ccc(F)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 19880677 NMJLQMBUDFXZOL-QFIPXVFZSA-N 424.541 5.124 0 40 HKAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(-c2ccccc2)cc1 20138873 SOZLNLVHCDCNKM-UHFFFAOYSA-N 403.865 6.012 0 40 HKAB CCCc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 22109913 XEPFVTATWCMYLW-UHFFFAOYSA-N 423.369 5.523 0 40 HKAB C[C@H](Sc1nc(-c2ccco2)nc2ccccc12)C(=O)Nc1cc(F)ccc1F 22189191 LAZGLPSBRREFOE-LBPRGKRZSA-N 411.433 5.287 0 40 HKAB O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@H](c1ccccc1)c1cccs1 23042273 YUGAGAUMJWCCEG-OAQYLSRUSA-N 424.978 5.973 0 40 HKAB Cc1ccc2nc(NC(=O)Cc3csc(Nc4cccc(Cl)c4)n3)sc2c1 23236732 ROWXPMVPYBCOKM-UHFFFAOYSA-N 414.943 5.639 0 40 HKAB CCOc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)c(C)nn23)cc1 27585040 BOYFHOWZJNSYBU-UHFFFAOYSA-N 420.516 6.514 0 40 HKAB CCOc1cc(OCc2nc(-c3ccc(Cl)cc3)no2)cc(OCC)c1OCC 28218086 IUFUQWMNNJGOMR-UHFFFAOYSA-N 418.877 5.165 0 40 HKAB Cc1ccc(F)c(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)c1 32578650 DTCVUYXFHAVIKU-UHFFFAOYSA-N 403.413 5.015 0 40 HKAB CC1=C(C(=O)OC(C)(C)C)C(c2ccccc2Cl)C(C(=O)OC(C)(C)C)=C(C)N1 33874773 BVWBHYFAHPBXMI-UHFFFAOYSA-N 419.949 5.258 0 40 HKAB CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)c1 35040541 PUFMUZNQHAGPOY-LZYBPNLTSA-N 408.331 5.602 0 40 HKAB O=C1N/C(=N\c2cc(C(F)(F)F)ccc2Cl)S/C1=C/c1ccccc1F 35647272 OTNDUUWJTZILIQ-VGOFMYFVSA-N 400.784 5.390 0 40 HKAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(c3ncc(-c4ccc(F)c(F)c4)[nH]3)CC2)C1(C)C 65533629 LXUORYXCGLTADI-DYESRHJHSA-N 413.512 5.299 0 40 HKAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1nc(-c2ccc(C)cc2)no1 72277182 JUDSVFLBUAYWTP-YADHBBJMSA-N 403.526 5.162 0 40 HKAB Cc1nc(-c2ccc(NC(=O)CCCc3ncc(-c4ccccc4)o3)cc2Cl)n[nH]1 95463304 LGAHNXDELLFDAE-UHFFFAOYSA-N 421.888 5.050 0 40 HKAB Cc1cccc(N2C(=O)/C(=C\c3csc(-c4ccccn4)n3)c3ccccc3C2=O)c1 96307298 UJQIEHCPGBXUDJ-STZFKDTASA-N 423.497 5.241 0 40 HKAB CC(C)CC[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 96328214 RZPAXNJLEKLXNO-KCKHKCCUSA-N 402.663 6.360 0 40 HKAB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O 106690866 ADAAVDNXKDXJAT-HMAPJEAMSA-N 421.493 6.004 0 40 HKAB O=C(O)c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)o1 106696279 DRIRPYAJPBFUFW-ODLFYWEKSA-N 423.421 5.020 0 40 HKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1C 107825300 QQOAUPLZOQZFNR-UHFFFAOYSA-N 422.956 6.203 0 40 HKAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCc1ccc2ccccc2c1 107898863 WVNCDYIWQVXZAC-UHFFFAOYSA-N 405.563 5.979 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@@H]3N 118922667 WLHQSAYHIOPMMJ-XIVKUWEPSA-N 401.679 6.326 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(Cl)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 123316961 CSMNIQHGEOBTDX-BWSYCYESSA-N 423.125 7.830 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CCSc3ccc(Cl)cc3)ccc21 139298158 QEJNQOBFQQADFJ-UHFFFAOYSA-N 408.954 6.589 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cnc(-c2ccc(Cl)cc2)nc1 222605787 ZUOVAQRYBURVGA-UHFFFAOYSA-N 415.880 5.628 0 40 HKAB CC[C@H](CNC(=S)Nc1ccc(Br)c(Cl)c1)Cc1ccccc1 225631800 GBOXOZVPHRQLFY-ZDUSSCGKSA-N 411.796 5.658 0 40 HKAB CC(C)CCC[C@@H](C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2O)C1 226279621 LDPPQIQFKNQQLH-YDVQGYQRSA-N 416.646 6.453 0 40 HKAB CCN(C(=O)C(F)(F)F)c1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 226284548 TZRFTAWHVNOZGL-UHFFFAOYSA-N 403.187 5.717 0 40 HKAB CC(C)c1cc(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)on1 257218125 DBYZLYMQBIRXLD-INIZCTEOSA-N 413.905 5.050 0 40 HKAB CCc1cccc(C)c1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl 408623300 SPIJXRUWAQOPLL-UHFFFAOYSA-N 400.733 6.152 0 40 HKAB O=C(Sc1nnc(-c2ccc(Br)cc2)o1)c1ccc2ccccc2c1 408691942 ZHDIEYWXJSCHQC-UHFFFAOYSA-N 411.280 5.585 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2ccccc2)c1 408699885 WSJFCBPTOPXUHI-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB CC(C)N1C(=O)S/C(=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)C1=O 409052968 FSUDMUHHTNHUIL-ZDLGFXPLSA-N 422.333 6.017 0 40 HKAB Cc1ccc(OCCSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 409108199 VNMFMWBZAKTBRJ-UHFFFAOYSA-N 421.953 6.067 0 40 HKAB CC(C)c1ccccc1NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 409133249 NGHDYLHOGRDMMD-UHFFFAOYSA-N 422.550 5.029 0 40 HKAB CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(F)cc1 409375982 RPWPBAPGQKOMQN-UHFFFAOYSA-N 422.500 5.471 0 40 HKAB CC[C@H]1[C@@H](O)[C@H]2[C@@H](CC[C@]3(C)[C@H]([C@H](C)CCC(=O)O)CC[C@H]23)[C@@]2(C)CC[C@H](O)C[C@H]12 504760868 ZXERDUOLZKYMJM-PPHSCABSSA-N 420.634 5.114 0 40 HKAB COc1ccccc1Nc1cc(Nc2ccccc2OC)n(C(=O)c2cccs2)n1 575443087 OMSROFKPDWTBBK-UHFFFAOYSA-N 420.494 5.138 0 40 HKAB C[C@H]1CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccc5ccccc5c4)cc3cc21 575473054 APKMOLNQZCQRAF-INIZCTEOSA-N 411.501 5.899 0 40 HKAB COc1ccc([C@@H](NC(=O)N[C@H]2CCCc3c2[nH]c2ccccc32)C(C)C)cc1OC 604405515 PABBKQDMZDNDRK-REWPJTCUSA-N 421.541 5.259 0 40 HKAB biogenic Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(C)cc2)N3)cc1 674947 AVMNAHJCASIZOO-HKUYNNGSSA-N 414.431 5.413 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1C1CCCCC1 793605 RWTZQPZJGYFYTF-UHFFFAOYSA-N 413.374 5.383 0 40 HKAB CC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc4ccccc4c2)C3=O)cc1 850653 VTIQTPLXKCCRTB-UHFFFAOYSA-N 422.440 5.391 0 40 HKAB CC1(C)[C@@H](C(=O)N[C@@H](c2ccccc2)C(Cl)(Cl)Cl)[C@@H]1C=C(Cl)Cl 889287 NODGGCSNXDZVRD-UHTWSYAYSA-N 415.575 5.805 0 40 HKAB Cc1ccc(-c2nc(SCC(=O)NCc3ccc(F)cc3)c3ccccc3n2)cc1 1367595 LFUCFONPMQFDBX-UHFFFAOYSA-N 417.509 5.153 0 40 HKAB Nc1c(-c2cccs2)cnn1-c1nc(-c2ccc(Br)cc2)cs1 1386179 UUIKFXRFLUACPU-UHFFFAOYSA-N 403.330 5.069 0 40 HKAB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1cccc(C)c1 1761317 HZCARKFBDBYFJK-UHFFFAOYSA-N 413.589 6.419 0 40 HKAB C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1cc(Cl)ccc1Cl 2061713 AGKGJIAYAXLRSG-SSDOTTSWSA-N 413.515 6.360 0 40 HKAB O=C1c2ccccc2[C@@](O)([C@H](Cc2ccccc2)c2ccccc2)N1Cc1ccccc1 2117982 TUSWLPKKCDOOCI-XRKRLSELSA-N 419.524 5.514 0 40 HKAB CC(C)C(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccccc21 2271486 FTCWKSGDHXCEMZ-NBGIEHNGSA-N 412.533 5.856 0 40 HKAB CCCCc1ccc(-n2c(N)c(C(=O)N[C@H](C)CC)c3nc4ccccc4nc32)cc1 2394468 QQHBCQQXGROCNI-MRXNPFEDSA-N 415.541 5.027 0 40 HKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N(C)C(=S)N1C 2616102 SUXWSJBBHQOFMM-GOSISDBHSA-N 420.365 5.109 0 40 HKAB COc1ccc(-n2c(S[C@H]3CCCCC3=O)nnc2-c2ccc(Cl)cc2)cc1 2634229 PCMWNSUHKIJJGG-IBGZPJMESA-N 413.930 5.200 0 40 HKAB Cc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)c(Cl)c2)cc1 2974959 VVUUHABYJVPEIO-UHFFFAOYSA-N 424.935 7.101 0 40 HKAB CCc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N(C)C(=O)c1ccccc1F 3067679 RREXICKABUBOLY-QHCPKHFHSA-N 404.485 5.149 0 40 HKAB Cc1ccc(N[P@@](=O)(/C=C2/N(C)c3ccccc3C2(C)C)c2ccccc2)cc1C 3165797 DGBIDGAQALSJOJ-QYZZTEPHSA-N 416.505 6.588 0 40 HKAB O=C(OCc1ccc(Br)cc1)/C(=C/c1cccs1)c1cccs1 3268934 VTOLAEPTUJVVPL-LFIBNONCSA-N 405.338 5.856 0 40 HKAB CCC(C)(C)C1CCC2(CC1)NC[C@@H](c1ccccc1Cl)c1c2[nH]c2ccccc12 3289858 XRISYWSZCMHWOD-XESUAWAGSA-N 421.028 7.378 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)OCC(=O)c1ccc(-c2ccccc2)cc1 3336765 FHSLTHVACJUAMD-UHFFFAOYSA-N 415.272 5.465 0 40 HKAB O=C(O)CC1(CC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCCC1 4389176 UHKZHRFPDVYNNS-UHFFFAOYSA-N 411.342 5.478 0 40 HKAB Cc1ccc(-c2cs/c(=N\c3cccc(C(F)(F)F)c3)n2CCCO)cc1C 4524171 LSJDVJNYVIVQNT-QQTULTPQSA-N 406.473 5.467 0 40 HKAB Cc1ccc(-n2nc3c(c2-c2ccc(Cl)c(Cl)c2)-c2ccccc2CC3)cc1 4568155 XCFVSWNATPICTE-UHFFFAOYSA-N 405.328 6.920 0 40 HKAB CCCCN(CC)C(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 4681473 BGMWJDWRDVDDJJ-UHFFFAOYSA-N 408.586 5.126 0 40 HKAB OC1(c2ccccc2)c2ccccc2C(c2ccccc2)(c2ccccc2)c2ccccc21 4683129 BONDEHCZSWPICR-UHFFFAOYSA-N 424.543 6.667 0 40 HKAB CCOc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)cc1OC 4783907 ALOZYSCSEFAKGN-VLIAUNLRSA-N 414.571 5.735 0 40 HKAB Clc1ccc([C@@H]2CC(c3ccccc3)=NN2c2nc(-c3ccccc3)cs2)cc1 5243893 RGFSBVDYFDKILK-QHCPKHFHSA-N 415.949 6.819 0 40 HKAB Cc1cc2oc(=O)cc(COC(=O)CCCc3nc4ccccc4s3)c2cc1C 6141009 VWEWNILNHPAOEZ-UHFFFAOYSA-N 407.491 5.086 0 40 HKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](c2ccccc2)C(C)C)c(C(C)C)c1 6377301 BEXFZRISDAHHBH-XMMPIXPASA-N 415.643 6.732 0 40 HKAB Cc1ccc(COc2ccccc2C(=S)N2CCN(c3ccccc3)CC2)cc1 7499870 FMMNWLXZYUEZSR-UHFFFAOYSA-N 402.563 5.072 0 40 HKAB Cc1ccc(-n2c(SCCOc3ccccc3)nc3ccccc3c2=O)cc1C 7977520 ANNFWCRTBOATPU-UHFFFAOYSA-N 402.519 5.174 0 40 HKAB Cc1ccccc1NC(=O)Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S 8416035 IACTYRCCRMZRDG-UHFFFAOYSA-N 400.507 5.017 0 40 HKAB Cc1ccc(CN(C)C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)o1 8527204 XIKBNDTWZJEDCX-UHFFFAOYSA-N 418.518 5.661 0 40 HKAB Cn1c(SCc2cccc(C(F)(F)F)c2)nc(-c2ccccc2)c1-c1ccccc1 8857048 MTSAURIOOCUJLU-UHFFFAOYSA-N 424.491 7.065 0 40 HKAB Cc1ccc(NC(=O)CSCCOc2cccc(Cl)c2)c(Br)c1 9377850 VUACOWDDWAMOBI-UHFFFAOYSA-N 414.752 5.162 0 40 HKAB Cc1nc(COc2ccccc2/C=C/C(=O)N[C@H](C)c2ccc(F)c(F)c2)cs1 10307361 GPHZUBVVLZEOKR-QSYFUGGGSA-N 414.477 5.199 0 40 HKAB CCOCCCNCc1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12 10315557 BDMPZQQSZOTJAS-UHFFFAOYSA-N 405.369 5.821 0 40 HKAB CN(C(=O)c1ccc(Cl)cc1Cl)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 11667178 UDDOJVGIOQIPGU-UHFFFAOYSA-N 422.381 5.589 0 40 HKAB Cc1cc(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)cc(C)c1Cl 11999836 LFFJYJADMFNSCO-UHFFFAOYSA-N 414.958 5.352 0 40 HKAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccccc1Oc1ccccc1 12601586 XYECGAIPYRDPKT-UHFFFAOYSA-N 411.383 5.486 0 40 HKAB CCc1ccc(Cl)c(CC)c1NC(=O)COc1cc2ccccc2cc1C(=O)O 12771459 POSNCLBCFHQLFC-UHFFFAOYSA-N 411.885 5.334 0 40 HKAB O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 13303731 YPHMEKSGVWTWTE-YYRZZOBCSA-N 406.869 5.963 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1 13724973 SNMFQBHSUFXCCR-UHFFFAOYSA-N 421.762 5.919 0 40 HKAB Cc1ccc(C2=NN(C(=O)COc3cccc4c3CCC=C4)[C@@H](c3ccco3)C2)cc1 14185469 JYDIVORAOXKLIY-HSZRJFAPSA-N 412.489 5.304 0 40 HKAB O=C(c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1)N1CCC[C@@H](C(F)(F)F)C1 14254845 RBMZDPNNEDBEIN-CYBMUJFWSA-N 423.822 5.200 0 40 HKAB CCN(CC)c1ccc(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)c(C)c1 16840588 VRFICSHFXGWXGP-UHFFFAOYSA-N 413.518 5.366 0 40 HKAB Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)nc1-c1ccc(Cl)cc1Cl 17088782 LUZPWWQCBNURSF-NWDGAFQWSA-N 411.310 5.031 0 40 HKAB Cc1cccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1C 17089832 KPBSIGIGHYLQGD-UHFFFAOYSA-N 414.461 5.319 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c(Cl)c1 17092526 WDHZWTUGSKUHSA-UHFFFAOYSA-N 420.925 5.319 0 40 HKAB CC(C)C(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)cs1 19086269 DBCJUQPIAVXFPI-UHFFFAOYSA-N 423.513 5.137 0 40 HKAB c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCN(Cc4ccccn4)C3)n2)cc1 19373144 CJWSCPLFTVZMED-NRFANRHFSA-N 422.536 5.057 0 40 HKAB Cc1nc(-c2ccccc2F)sc1C(=O)Nc1ccccc1OCc1ccccn1 19714469 LNFXRXJUINZGCT-UHFFFAOYSA-N 419.481 5.484 0 40 HKAB O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)c1cccc2ccccc12 20951412 KMQWRYJANKHKHO-VWLOTQADSA-N 412.558 5.431 0 40 HKAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1cccc(C)c1 21786995 YINFPQZPXNAILG-QHCPKHFHSA-N 405.542 5.277 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN(C)Cc4cccc(F)c4)[nH]c(=O)c23)cc1 23816599 QXQXYLVQJBDYMF-UHFFFAOYSA-N 407.514 5.040 0 40 HKAB COC(=O)c1cc(-c2c(C)oc3c(C)c(OCc4ccccc4)ccc3c2=O)c(C)o1 26571659 GPPBTBFTBAXEAZ-UHFFFAOYSA-N 418.445 5.344 0 40 HKAB CCCCOc1ccc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)c2cccnc12 32622564 AIZSUMQYNPCYNJ-UHFFFAOYSA-N 402.450 5.081 0 40 HKAB COc1ccc(Cc2nc3ccccc3n2CCCOc2ccc(Cl)cc2)cc1 35167722 CBNIDLZLPTVCHJ-UHFFFAOYSA-N 406.913 5.758 0 40 HKAB C[C@@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)NCCC1=CCCCC1 36394197 ZBKHELQRANFQDG-GOSISDBHSA-N 406.530 5.138 0 40 HKAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)N3c4ccccc4C[C@H]3C)c12 36617050 KFDILSOKQIIBGM-QGZVFWFLSA-N 422.532 5.257 0 40 HKAB COc1ccccc1-c1noc(CSc2nc3c(n2-c2ccccc2)CCCC3)n1 36772400 PXXQAGAMRIGADX-UHFFFAOYSA-N 418.522 5.102 0 40 HKAB COC(=O)c1c(-c2csc(-c3ccc(NC(C)=O)cc3)n2)c(C)n(C(C)C)c1C 40051926 BIAWECZUNSAAMH-UHFFFAOYSA-N 411.527 5.221 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 40134489 WUQSYAOGOBKQQP-UHFFFAOYSA-N 422.838 5.046 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(N2CCCC2)cc1 57316183 BJAZUGCBYHCUNM-FYWRMAATSA-N 417.534 5.073 0 40 HKAB CCOc1cc(CNc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 59056034 LEIJXLWIBGGHQU-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB O=C(COc1ccccc1F)Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1 59417206 SSPIJDWMHZWEEC-UHFFFAOYSA-N 423.337 5.793 0 40 HKAB CC(C)c1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc23)cc1 64471714 PCMUVEBQNXULIN-UHFFFAOYSA-N 409.530 5.430 0 40 HKAB Cc1ccc2nc([C@@H]3CCCN(C(=O)c4sc(-c5ccc(C)o5)nc4C)C3)[nH]c2c1 89657586 CWASHESXFHIAAG-MRXNPFEDSA-N 420.538 5.224 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1csc(-c2cccc(Cl)c2)n1 95385759 WYRCBVZSWRLKJO-LBPRGKRZSA-N 413.955 5.906 0 40 HKAB Cc1ncc(-c2ccncc2C)c([C@H]2CC[C@H](CNC(=O)c3csc(C)c3)CC2)n1 100739083 ZECDKCPQPRVZDS-KDURUIRLSA-N 420.582 5.229 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)cc1 101095614 OUPDXQBYNCJKSM-UHFFFAOYSA-N 404.510 5.697 0 40 HKAB Cc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c(C)c1 106617367 KNFIVZHOWWRIOS-ATIYNZHBSA-N 412.489 5.317 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(Cc4ccccc4)c3C)N21 222694315 LEFCVQTYQVQHSP-AGILITTLSA-N 416.594 5.528 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccc(C(C)(C)C)cc1 224180708 KQXJHVQAJXQEFI-UHFFFAOYSA-N 423.940 6.477 0 40 HKAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 224208564 JQWAFTLYVLEWMA-DEOSSOPVSA-N 422.613 5.169 0 40 HKAB Cc1ccc(CN(C(=O)Cc2cc(C)ccc2C)[C@H](C)C(=O)NC2CCCCC2)cc1 224753059 PDVZBLCUXBIOGB-JOCHJYFZSA-N 420.597 5.021 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(C)cc(C)c3)o2)cc1 224917299 CXDJDIYPINPPJX-UHFFFAOYSA-N 412.489 6.276 0 40 HKAB S=C1NC2(CCCCCCCCCCC2)NN1c1ccc(Br)cc1 225351780 BADRBCFTGDBDMN-UHFFFAOYSA-N 410.425 5.649 0 40 HKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225623651 ZAAPZTMICVYQET-DEOSSOPVSA-N 404.595 5.255 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c(C)c1 225675270 LFTFNXXDVYETDQ-LJQANCHMSA-N 412.555 5.069 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCCCCC1 225711643 MESYLMDKPRJZFP-NRFANRHFSA-N 416.606 5.398 0 40 HKAB COc1ccc(/C=C(/C(=O)Nc2nnc(-c3ccccc3)s2)c2ccccc2)cc1 225866505 TZQNOMUOSFTEKV-LTGZKZEYSA-N 413.502 5.393 0 40 HKAB CCOc1ccc(Cc2ccc([C@H]3CCCN(C(=O)CC4CCCC4)C3)nc2)cc1 257307781 TUCISNVOPZOPOX-QHCPKHFHSA-N 406.570 5.357 0 40 HKAB Cc1cc(Br)ccc1NCc1ccc(OCc2ccc(F)cc2)cc1 408605364 GSRJUXCOTSOGSJ-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB Cc1cc(C)cc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)c1 408726640 SFGHIXSXUMEYFU-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CCOc3ccc(Cl)c(C)c3)c12 409206944 RJYNFQMBXHXTBN-UHFFFAOYSA-N 409.835 5.990 0 40 HKAB Cc1ccc(Sc2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc2)cc1 409240109 FOTUCBIDDKLCQS-JCMHNJIXSA-N 400.503 5.239 0 40 HKAB CC(=O)Nc1ccc(CN2CC[C@@H](Nc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1 585262227 KKDDRZSHFSMTBH-RPLLCQBOSA-N 413.565 5.190 0 40 HKAB COc1ccc([C@@H](NC(=O)N[C@@H]2CCCc3c2[nH]c2ccccc32)C(C)C)cc1OC 604405514 PABBKQDMZDNDRK-OFNKIYASSA-N 421.541 5.259 0 40 HKAB biogenic Cc1cc(Cl)ccc1NC1=C(Cl)C(=O)N(c2cc(Cl)cc(Cl)c2)C1=O 957117 QEBMTSHPCKDUGH-UHFFFAOYSA-N 416.091 5.391 0 40 HKAB O=C(Nc1ccc(F)cc1F)c1sccc1OCc1ccc(Cl)cc1Cl 1400560 VVBWAYXQJNPCOQ-UHFFFAOYSA-N 414.260 6.164 0 40 HKAB Cc1nc(Oc2cc3sc(C)nc3c3sccc23)c2c3c(sc2n1)CCCC3 2087628 POUFOOTXLKTLKT-UHFFFAOYSA-N 423.588 6.804 0 40 HKAB S=c1[nH]nc(-c2ccccc2)c2c(-c3ccccc3)n(-c3cccc(Cl)c3)nc12 2181172 NQUBPDIQRPVZOV-UHFFFAOYSA-N 414.921 6.465 0 40 HKAB O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccc2ccccc2c1 2256702 NUWVIHHCRWTUSS-UHFFFAOYSA-N 419.484 5.246 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1OC 2337806 ZYZKJFIUHIBWHD-UHFFFAOYSA-N 407.857 5.153 0 40 HKAB CC(C)(C)NC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c2c1N 2346813 JUZKGGRSQSXJCE-UHFFFAOYSA-N 419.525 5.880 0 40 HKAB COc1ccc(OCCSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1 2635993 MKIHSPXKKNPYHV-UHFFFAOYSA-N 410.973 5.496 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2)sc(C)c1-c1cccs1 2648408 VVZUQPFTEVKCKW-ZDUSSCGKSA-N 415.536 5.368 0 40 HKAB O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1SCc1ccccc1F 2721824 QIUSLPKMZDSAAC-UHFFFAOYSA-N 415.467 5.199 0 40 HKAB CCCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C)C3)cc1 2753341 LNDUAGWPDKUOCW-CQSZACIVSA-N 401.528 5.091 0 40 HKAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)sc2c1 3166015 VDSQKZKXHJGSRX-UHFFFAOYSA-N 410.351 5.347 0 40 HKAB CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 3232629 ZYJBTVUOEWRMSP-UHFFFAOYSA-N 406.511 5.074 0 40 HKAB Cc1ccc(-n2nc3c(c2NC(=O)CSCc2ccccc2)CSC3)c(C)c1 4087563 NRNNPUOBLJQLLW-UHFFFAOYSA-N 409.580 5.108 0 40 HKAB Cc1sc(NC(=O)c2ccc(Cl)cc2)c(C(=O)c2ccc(Cl)cc2)c1C 4953240 KVDLXFSJHVASLM-UHFFFAOYSA-N 404.318 6.155 0 40 HKAB Clc1ccc(CSc2nnc(Cc3cccs3)n2C2CCCCC2)cc1 6078633 JKLNLJNAWRNQAE-UHFFFAOYSA-N 404.004 6.381 0 40 HKAB COc1cc2c(cc1NS(=O)(=O)c1c(C)c(C)cc(C)c1C)oc1ccccc12 6316924 BGTVWAIALUPOGX-UHFFFAOYSA-N 409.507 5.629 0 40 HKAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2ccc(Cl)cc2)cc1 7141185 XLBLTWGQIUTMGC-HSZRJFAPSA-N 420.896 5.105 0 40 HKAB CCCCCNCc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 7261228 MOAVOMRYNJZURA-UHFFFAOYSA-N 410.327 5.456 0 40 HKAB O=C(COc1ccc(-c2ccccc2)cc1)N1CCC[C@H]1c1nc2ccccc2s1 8231760 YZVFTEPCCRZUEY-QFIPXVFZSA-N 414.530 5.706 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2C(=O)N(c2ccccc2)c2ccccc2)cc1 8470761 WRZHDMOOISMVKZ-UHFFFAOYSA-N 406.485 6.226 0 40 HKAB Cc1cccc2cc(CN(C(=O)c3cccc(Cl)c3)c3ccccc3)c(=O)[nH]c12 8612000 PBUIHQFUHYEWCH-UHFFFAOYSA-N 402.881 5.337 0 40 HKAB CCCCNc1nc(SC)nc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 8625720 FKAIALJQIODVAA-UHFFFAOYSA-N 420.607 6.329 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)c1 8860822 AJYCJROENKLXRD-LJQANCHMSA-N 420.563 5.622 0 40 HKAB Clc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3-c3nc4ccccc4n32)cc1 8996325 MGROYFGITBLJCU-MHZLTWQESA-N 421.931 6.924 0 40 HKAB Cc1ccc(NC(=O)c2cc3cc(Cc4ccccc4Cl)ccc3oc2=O)cc1C 9234621 QIEYJDJKIPMQMP-UHFFFAOYSA-N 417.892 5.906 0 40 HKAB COCc1nn2c3c(cnc2c1-c1ccccc1)C(=O)C[C@@H](/C=C/c1ccccc1)C3 9290257 RWPFKSYDTRZKSY-HYSAVQALSA-N 409.489 5.001 0 40 HKAB Cc1cc(C)nc(Nc2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2)n1 11640410 WLLUHPUXKVAKRM-UHFFFAOYSA-N 422.532 5.998 0 40 HKAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccc(NC(C)=O)cc3)no2)cc1 12185619 UHWMTMQQTHFRTN-DEOSSOPVSA-N 419.525 5.426 0 40 HKAB O=C(Nc1cccc(CCc2ccccn2)c1)C1c2ccccc2Oc2ccccc21 12377283 FWGVYVGQHVLZNV-UHFFFAOYSA-N 406.485 5.743 0 40 HKAB Clc1ccc(OCCCc2nc(-c3ccc(Br)o3)no2)c(Cl)c1 12428500 AFVGGASLPOMSNZ-UHFFFAOYSA-N 418.074 5.411 0 40 HKAB COc1ccc(Cl)cc1CSCC(=O)Nc1ccc(C)cc1Br 12569520 RKWYJVUDNIPRFC-UHFFFAOYSA-N 414.752 5.291 0 40 HKAB Cc1ccc(C(=O)[C@H]2CN(C)[C@@H](c3cccs3)[C@@H]2C(=O)c2ccc(C)cc2)cc1 13399243 XNDXEIYARWEMSV-WWNPGLIZSA-N 403.547 5.350 0 40 HKAB Cc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(C)cc2C)c1 13647761 DDCRPJIJDAMTRO-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1cccc(-c2nc3ccccc3s2)c1 14184543 GBGKNCDIYGBNKR-IBGZPJMESA-N 400.459 5.204 0 40 HKAB Fc1ccc(C(c2ccc(F)cc2)N2CCN(c3nc4ccccc4o3)CC2)cc1 14249284 AUDPVFMAMVZEGH-UHFFFAOYSA-N 405.448 5.018 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)oc2c1 15831059 MDBIDYJTKHSKRQ-UHFFFAOYSA-N 407.897 6.447 0 40 HKAB COc1cc2c(cc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)oc1ccccc12 16261065 BHYKXYZLKWNVSF-UHFFFAOYSA-N 421.321 5.471 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4cccc5ccccc45)ccc3o2)c1 17093078 WQRMFPYQOXHVTO-UHFFFAOYSA-N 422.484 6.282 0 40 HKAB Cc1ccc2nc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)sc2c1 18280058 HOSQKJAKTRWDAR-MYNGYRLFSA-N 422.509 5.001 0 40 HKAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CCN(Cc3ncc[nH]3)CC2)n1 19691884 ZQVCDIKNZVFFNV-UHFFFAOYSA-N 414.475 5.102 0 40 HKAB Nc1nc(=S)n(Cc2ccc(Br)cc2)c2sc3c(c12)CCCC3 24546244 VQBPKAPUMPHMBP-UHFFFAOYSA-N 406.374 5.099 0 40 HKAB O=C(COc1cccc(Cl)c1)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 27747580 XZDBZAKTHIZXGC-OAQYLSRUSA-N 404.897 5.148 0 40 HKAB Cc1cc2oc(C(=O)NCCc3csc(-c4ccc(Cl)cc4)n3)c(C)c2cc1C 28288567 KVVFZROGHOOSGW-UHFFFAOYSA-N 424.953 6.107 0 40 HKAB COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 30863717 XDLOZJPAKALSNV-LJQANCHMSA-N 400.522 5.139 0 40 HKAB Cc1cc(C)cc(OC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)c1 32623468 HRTRHAXLPTVQHN-UHFFFAOYSA-N 402.878 5.397 0 40 HKAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 40056872 JHUNDWLIUTWJIU-HNNXBMFYSA-N 408.885 5.893 0 40 HKAB C[C@H](NC(=O)CN1CCCC[C@@H]1c1nc2ccccc2s1)c1cc2ccccc2o1 57281331 AUWGLUHSDQKTAB-QFBILLFUSA-N 419.550 5.447 0 40 HKAB O=C(NC(=S)Nc1c(Cl)ccc2nsnc12)c1ccc(-c2ccccc2)cc1 59294432 DAFITSWMOAXWMU-UHFFFAOYSA-N 424.938 5.139 0 40 HKAB COc1ccc(Cn2c(SCc3cccc(C)c3)nc3ccsc3c2=O)cc1 71327620 DEYKTDSELDXPCF-UHFFFAOYSA-N 408.548 5.116 0 40 HKAB Cc1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)c(Br)c1 71760908 ZQPGVEVXJDKFIK-UHFFFAOYSA-N 405.239 5.465 0 40 HKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1Cc1ccccc1 72215275 ZUWCYXVWOUHCCO-NFBKMPQASA-N 423.601 6.349 0 40 HKAB C[C@@H]1CCCCN1c1cc(NC(=O)c2ccc(Cl)cc2Cl)c(Cl)cc1N 72229417 SCLOLHLOZVNNBU-LLVKDONJSA-N 412.748 5.860 0 40 HKAB CC(C)[C@H]1CN(C(=O)c2cccc(F)c2)c2ccccc2N1C(=O)c1cccc(F)c1 72307943 NKLJXQXJDVSCEY-HSZRJFAPSA-N 420.459 5.297 0 40 HKAB COc1ccc2cc([C@@H]3CC(c4cccc(Cl)c4)=NN3C(C)=O)c(Cl)nc2c1 89930416 NXJGHEBGIKPHTB-FQEVSTJZSA-N 414.292 5.248 0 40 HKAB CC(C)c1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)c1 98211411 ZVQRUWVSASIZNU-UHFFFAOYSA-N 404.445 5.106 0 40 HKAB CC(C)C(=O)N1c2ccccc2N=C2C[C@H](C)CC(O)=C2[C@H]1c1cc(F)cc(F)c1 102585954 UPZMSKWKRYAILL-LFVRLGFBSA-N 410.464 6.023 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@H](c4cccnc4)C3=C(O)C2)cc1OC 102731099 ACSPVRQCANXBBW-ZHRRBRCNSA-N 417.465 5.003 0 40 HKAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1ccccc1Cl)[C@@H]2O 118916161 YMHMUKZSUKEOTI-CUUWPEQDSA-N 415.017 6.098 0 40 HKAB O=C(NCCSC1CCCCC1)c1cccc(OCc2ccccc2Cl)c1 219838564 FCYIBCAHPMOSGL-UHFFFAOYSA-N 403.975 5.715 0 40 HKAB CCC1(CC)C[C@H](NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)c2ccccc2O1 223117039 JYZQIPSFXPXTNJ-OFNKIYASSA-N 424.560 5.237 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1COC(C)C 224717242 KYNLRSXIEGHFJD-UHFFFAOYSA-N 415.839 5.935 0 40 HKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1cccc(F)c1 224955718 AIZAVAYWZKUUFP-UHFFFAOYSA-N 420.465 5.032 0 40 HKAB O=C(c1ccccc1F)N1CCS/C1=C/c1csc(Nc2ccc(F)cc2)n1 225254149 RMWZPKXEBNCIIV-WOJGMQOQSA-N 415.490 5.353 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc12 225770358 MDZCIDHUTCJZQO-IBGZPJMESA-N 403.522 5.704 0 40 HKAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccccc1Oc1ccccc1 225811827 RTQPECIESZKXTP-UHFFFAOYSA-N 419.868 5.754 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(Br)cc3N)o2)cc1Cl 226348389 CZGMLFFMVVFXIA-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 408576409 XWRLSLIUIHQPBC-UKYUDJEDSA-N 420.534 5.692 0 40 HKAB Cc1cc(-c2ccccc2)nc(SCc2nc(O)c3c4c(sc3n2)CCCC4)n1 408582168 MHNBCHIFZFGNSN-UHFFFAOYSA-N 420.563 5.333 0 40 HKAB COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(OC)cc3)s2)cc1 408824250 GLOVMVKLQKVAKC-UHFFFAOYSA-N 416.502 5.747 0 40 HKAB Cc1cc(/C=C2/SC(=O)NC2=O)cc(C)c1OCc1ccc(Cl)c(Cl)c1 408850109 GDNPZORGPWHGRJ-LZYBPNLTSA-N 408.306 5.513 0 40 HKAB Fc1ccccc1COc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 408974747 DCOPKXHZXFSIAB-UHFFFAOYSA-N 420.487 7.129 0 40 HKAB CC(C)N1C(=O)S/C(=C\c2cn(CCCOc3ccccc3)c3ccccc23)C1=O 409148756 RGKRJHDNJSFHDO-JCMHNJIXSA-N 420.534 5.555 0 40 HKAB CC(=O)c1cc2c(cc1C)[C@H](C)CC(C)(C)N2C(=O)CSc1nc(C)cc(C)n1 584906326 ZWWFXFCDSOCYBC-CQSZACIVSA-N 411.571 5.016 0 40 HKAB O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3ccccc3Br)nc2c1 667092 SGFJIKYHCKXIPG-CSKARUKUSA-N 409.239 5.502 0 40 HKAB COc1c(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)ccc2ccccc12 722635 ZJVXZOQIDYKRHN-UHFFFAOYSA-N 412.420 6.048 0 40 HKAB Cc1ccc(-c2nn(CCC(=O)Nc3ccc(C)cc3C)c(=O)c3ccccc23)cc1 801804 HRIRXEAGCIVPLZ-UHFFFAOYSA-N 411.505 5.018 0 40 HKAB CC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(Br)cc3)n2)s1 948690 HLECIUZYIGXHCT-UHFFFAOYSA-N 409.334 5.040 0 40 HKAB CCOC(=O)[C@H](CC)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3C)coc2c1 957229 GEOILEKBIKEMGR-IBGZPJMESA-N 410.466 5.231 0 40 HKAB Cc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)C3CC3)c(Cl)nc2c1C 1367715 PUPNIAWZGRGMKV-UHFFFAOYSA-N 422.912 5.173 0 40 HKAB CCc1ccc2oc(-c3cccc(NC(=O)COc4cc(C)cc(C)c4)c3)nc2c1 1413918 CBBAVWPSMLQWAZ-UHFFFAOYSA-N 400.478 5.692 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)N[C@H]1C[C@@H](C)CC(C)(C)C1 1735397 SXOOYTUJLLTENR-OCCSQVGLSA-N 419.978 5.123 0 40 HKAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccccc3OC)c2c1 2079799 UFPYOBPBOFNMPX-UHFFFAOYSA-N 416.908 6.379 0 40 HKAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1ccc(F)c(F)c1)CO2 2114350 KUZKQHPRYPCFTK-UHFFFAOYSA-N 405.400 5.403 0 40 HKAB biogenic Cc1ccc(OCc2nnc(SCc3cccc(F)c3)n2-c2ccc(C)cc2)cc1 2242354 SXDDRQHGZSZACW-UHFFFAOYSA-N 419.525 5.895 0 40 HKAB Brc1cccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)c1 2249271 VFFSKDVCQFGNCD-UHFFFAOYSA-N 401.267 5.398 0 40 HKAB Cc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 2344291 GGPUBMZDUVUFPB-QHCPKHFHSA-N 413.448 5.028 0 40 HKAB CC(C)CCNc1nc2c(-c3cccc(Br)c3)nnn2c2ccccc12 2713107 LMNKPTMCUVXBPH-UHFFFAOYSA-N 410.319 5.165 0 40 HKAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1 3166233 QMZPPHGKLJVICS-UHFFFAOYSA-N 416.587 5.216 0 40 HKAB Cc1nnc(SC(c2ccc(F)cc2)c2ccc(F)cc2)n1Cc1ccccc1 3333059 BZHQSHWKRCAUHF-UHFFFAOYSA-N 407.489 5.795 0 40 HKAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 3338548 QMQVKULTIJQSCR-GOSISDBHSA-N 409.982 6.383 0 40 HKAB Cc1ccc(C(=O)COC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(C)c1 3385164 AEKSAIPHOCBRLX-UHFFFAOYSA-N 402.368 5.622 0 40 HKAB C[C@@H](OC(=O)Nc1ccccc1)c1cccc([C@@H](C)OC(=O)Nc2ccccc2)c1 3844731 MSZCLYCQZRSVME-QZTJIDSGSA-N 404.466 6.306 0 40 HKAB biogenic CCCCCOc1cccc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)c1 4000166 FVYTTZZSSMMPNF-RFYAYMHSSA-N 418.581 5.591 0 40 HKAB biogenic CC[C@H](C)NC(=O)c1c(N)n(-c2ccc([C@H](C)CC)cc2)c2nc3ccccc3nc12 5029614 XAPCDZZNFJYILS-CVEARBPZSA-N 415.541 5.198 0 40 HKAB CC[C@@H](C)NC(=O)c1c(N)n(-c2ccc([C@H](C)CC)cc2)c2nc3ccccc3nc12 5029619 XAPCDZZNFJYILS-HZPDHXFCSA-N 415.541 5.198 0 40 HKAB O=C(CCC1CCCC1)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 5107094 BRBWVVJTCFZDMM-UHFFFAOYSA-N 420.465 5.323 0 40 HKAB CC(=O)N1N=C(c2ccccc2OC(=O)/C=C/c2ccccc2)C[C@H]1c1ccccc1 5216173 ZGSVWJBOAOADQN-JOPBRCQMSA-N 410.473 5.003 0 40 HKAB CCOC(=O)Cc1nc(Nc2ccccc2Cl)c2c3c(sc2n1)CCCC3 5459020 HMVAUOPTCWGKAC-UHFFFAOYSA-N 401.919 5.073 0 40 HKAB Oc1c2c(nc3nnc(SCc4ccccc4)n13)-c1ccccc1CC21CCCC1 5769133 LGUURCQMUABECD-UHFFFAOYSA-N 414.534 5.157 0 40 HKAB CCCN(CC1CC1)C(=O)CSc1nc(C)nc2scc(-c3cccs3)c12 6607212 KHDHIOOYKJJLDU-UHFFFAOYSA-N 417.625 5.469 0 40 HKAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NCCc2ccccc2)cc1 6608906 PZXQECFAMFWTBB-UHFFFAOYSA-N 412.558 5.687 0 40 HKAB CCNC(=S)Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccccc1 6820927 OVPOIRLWHNVHSZ-UHFFFAOYSA-N 413.550 5.589 0 40 HKAB CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCc2csc(C)n2)c(OC)c1 7102819 DXTBFUODHURCKL-JOCHJYFZSA-N 423.538 5.016 0 40 HKAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)NCc2ccc(Cl)cc2Cl)s1 7264629 SIJGFOUDSFTMKP-UHFFFAOYSA-N 409.313 5.423 0 40 HKAB CC[C@H](C)n1c(SCc2ccc(OC(F)F)c(OC)c2)nc2ccccc2c1=O 7393093 JAYCWJSEQPURPQ-ZDUSSCGKSA-N 420.481 5.270 0 40 HKAB CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(C)cc2)CC1=O 7543349 WLJYZKGPKZRWFP-QFIPXVFZSA-N 409.533 5.476 0 40 HKAB CCOc1cc(CNC[C@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 8253961 RSARQYRXTWBBBJ-GOSISDBHSA-N 410.341 5.240 0 40 HKAB Cc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[C@H](C)C3)nn1C 9001777 HYLGMWXCKAFMMI-LBPRGKRZSA-N 422.579 5.444 0 40 HKAB Cc1ccc(NC(=O)[C@H]2CCCc3sc(NC(=O)c4ccccc4)nc32)cc1C 9072141 LRVGLARRGTWILU-SFHVURJKSA-N 405.523 5.071 0 40 HKAB CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Cl)c(F)c1)C(C)(C)N2 9553560 SSMMOAPURGPWAO-NMWGTECJSA-N 420.962 6.561 0 40 HKAB CC(C)(C)c1ccc(-c2cc(=O)c3cc(NC(=O)/C=C/c4ccccc4)ccc3o2)cc1 9660209 OIJMZJATMFPWBN-CXUHLZMHSA-N 423.512 6.409 0 40 HKAB O=C(CSCCCOc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 9882683 GSBLLVIGGKJZRS-UHFFFAOYSA-N 403.853 5.500 0 40 HKAB CCCCC(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 9892064 FZGWPGPUURACEL-UHFFFAOYSA-N 422.337 5.805 0 40 HKAB COc1cc(OC)c(NC(=O)c2nc(-c3ccccc3F)sc2C)cc1Cl 11691890 AYOYYGSPHCXXIS-UHFFFAOYSA-N 406.866 5.181 0 40 HKAB CCOc1cc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)nc(C)n1 12225442 WGFMFDXPIRFJBU-UHFFFAOYSA-N 416.403 5.198 0 40 HKAB Cc1ccc(NC(=O)[C@@H](NCc2nc3ccccc3n2C)c2ccccc2)cc1Cl 12602659 QIDJGTBRBNXODQ-QHCPKHFHSA-N 418.928 5.005 0 40 HKAB Cc1noc(C)c1CCC(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1 12756395 KBUXQPVTYGNLBR-UHFFFAOYSA-N 410.326 5.217 0 40 HKAB Cc1nc(-c2cccs2)c(CC(=O)Nc2ccc(N3CCC(C)CC3)cc2)s1 15840211 DBDJXJRQAUEFLQ-UHFFFAOYSA-N 411.596 5.598 0 40 HKAB Cc1ccc2nc(-c3cccc(NC(=O)COc4ccc(C(C)C)cc4)c3)oc2c1 16348690 MLYIUYTWDITHFM-UHFFFAOYSA-N 400.478 5.944 0 40 HKAB CCc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccccc2)cc1 16741863 MJXDYQOCCHTMFH-XMMPIXPASA-N 409.485 5.409 0 40 HKAB COc1cccc(-c2nn(Cc3cccc(C)c3)c(-c3cccc(OC)c3)c2Cl)c1 17091717 VUDZFJMXFFPPGM-UHFFFAOYSA-N 418.924 6.244 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(Cl)c1 17092529 IIBMYHMFTAVAGF-UHFFFAOYSA-N 420.940 6.451 0 40 HKAB CC(C)CCNC(=O)CSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 18254477 HSCUZGAYGROTKU-UHFFFAOYSA-N 414.958 5.103 0 40 HKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)C1 19931555 HUGGUFIUJLSSSC-AWEZNQCLSA-N 410.867 5.843 0 40 HKAB COc1ccc(CN(C)[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1OC 22374001 PEDOBNXDLNEGIM-RUZDIDTESA-N 414.505 5.241 0 40 HKAB Cc1cc(C)cc(N(C(=O)C2CCOCC2)c2nc(-c3ccc(F)cc3)cs2)c1 23271402 XEXQURPAKMAALK-UHFFFAOYSA-N 410.514 5.657 0 40 HKAB O=C(c1cccc(C(F)(F)F)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 23328393 JEVUHCJPWXYRDT-UHFFFAOYSA-N 424.466 5.253 0 40 HKAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 23765944 ZLVOGZCKIXKFCJ-CYBMUJFWSA-N 404.844 5.425 0 40 HKAB COC(=O)c1occc1CSc1ncnc2scc(-c3ccc(F)cc3)c12 24984193 RQTOKDRQMRXMOW-UHFFFAOYSA-N 400.456 5.169 0 40 HKAB CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)C(Cl)(Cl)Cl)c3)nc2c1 32109310 ZIYNOQHVTSRXDM-UHFFFAOYSA-N 418.107 6.019 0 40 HKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1C 38753859 WSDCZNJRUYZVLO-RUZDIDTESA-N 419.590 6.700 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 38834401 PTMVOFQIACKCIU-HXUWFJFHSA-N 420.940 5.983 0 40 HKAB COc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2C)cc1 39404160 ADUXPPLJGJCEFO-UHFFFAOYSA-N 420.516 6.017 0 40 HKAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 40130760 OLUBRYPKXDDZPM-HXUWFJFHSA-N 421.562 5.101 0 40 HKAB O=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(Cl)cc2F)n1 40878706 HJPAXYLYYQIFCK-UHFFFAOYSA-N 406.240 5.396 0 40 HKAB O=C(Cc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)NC1CCCCC1 41127665 CLGXMORTQAPGLI-UHFFFAOYSA-N 403.309 5.793 0 40 HKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1 57315782 DPOROTZPHNTNQQ-UHFFFAOYSA-N 403.103 5.552 0 40 HKAB Cc1c(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)oc2ccc(Cl)cc12 58355752 GIUPYZUGQAIXBN-UHFFFAOYSA-N 418.905 6.924 0 40 HKAB Cc1c(C(=O)Nc2cccc(-c3cnco3)c2)sc2nc(C(F)(F)F)ccc12 65158788 SVBBBTUAGIQMJE-UHFFFAOYSA-N 403.385 5.531 0 40 HKAB CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)c1ccc(-c2ccccc2)cc1 71980476 PGODKOUPHFLYJO-HCYSDIRSSA-N 421.537 5.212 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)c1 72229958 KQTAHSDDDYRHOB-QHCPKHFHSA-N 409.913 5.853 0 40 HKAB Cc1nc(CN2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc2ccccc12 72308406 QIAHVRGHZQMYSK-QFIPXVFZSA-N 412.537 6.054 0 40 HKAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1F)CN(Cc1ccccc1)C2 95950274 FCPKUVVFPNQCGW-ZHZULCJRSA-N 424.475 5.629 0 40 HKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H]3CC=CCC3)CC2)n1 100738899 JLNMDEBXKTUQNP-BAGYTPMASA-N 418.585 5.408 0 40 HKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)N(Cc1ccc(F)cc1)C1CC1 105928336 SACNOZXBSYBVBL-WZGNDQMWSA-N 420.366 5.441 0 40 HKAB CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O 106689504 ZBCWMSVYOYVZPH-XKZIYDEJSA-N 421.493 6.003 0 40 HKAB COc1cc(COc2c(Cl)cc(C=O)cc2Cl)ccc1OCc1ccccc1 108008340 JEXLOEDHCSUYTQ-UHFFFAOYSA-N 417.288 5.973 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219350203 MLFUIYIYNBCMHG-PKTZIBPZSA-N 419.521 5.424 0 40 HKAB Cc1ccc(SCCNC(=O)CSCc2ccc(Cl)cc2Cl)cc1 222716329 AQDCGTYBMVIFOR-UHFFFAOYSA-N 400.396 5.444 0 40 HKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 222980314 VMIYLJBYZMOUFY-SFTDATJTSA-N 409.580 5.598 0 40 HKAB C[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc2c(c1)CCCC2 222980941 VSUVEASAPOZPEL-GOSISDBHSA-N 419.952 6.289 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)Cc2cccc(Br)c2)cc1C(C)C 223390062 UQBJIRFDXJULJW-HNNXBMFYSA-N 404.348 5.309 0 40 HKAB CCC1(CC)C[C@H](NC(=O)C2CCN(Cc3ccccc3F)CC2)c2ccccc2O1 224272848 ZWCBZBMCLWWMSC-QHCPKHFHSA-N 424.560 5.237 0 40 HKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1 224331722 KFUMNLZHOPDJFZ-YADHBBJMSA-N 404.583 5.378 0 40 HKAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1ccc(F)c(Cl)c1 224877437 FUSKBQJJGYCUNW-UHFFFAOYSA-N 423.669 5.468 0 40 HKAB CN1CCC(Oc2ccc(NC(=O)CCc3ccc(Cl)cc3Cl)cc2)CC1 225379273 QBHPKPYPGDTTLU-UHFFFAOYSA-N 407.341 5.038 0 40 HKAB Cc1cc(Nc2nccs2)cc([C@@H]2CCN(Cc3ccnc4ccccc34)C2)n1 257252211 JTYGOCKXFBXRLZ-GOSISDBHSA-N 401.539 5.128 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)cc2)c1 408638158 BMGWFLAFUORADO-KRWDZBQOSA-N 420.896 5.432 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)cc1C 408724214 ICCHLLVZFLYPDV-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB S=C(Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CCCCCC1 408978902 OJJJUYANUXUOEW-UHFFFAOYSA-N 416.554 5.193 0 40 HKAB O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccc(Cn2nnc3ccccc32)cc1 409181815 FQFURAZRCUMHSQ-UHFFFAOYSA-N 419.484 5.290 0 40 HKAB Cc1ccc(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 409381833 OADLRKWQTZVCFY-UHFFFAOYSA-N 406.334 5.697 0 40 HKAB Cc1cc(C)c2c(c1)[C@H]1O[C@@H](CCc3cccc(F)c3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264749 LBQQDHDGOSGENL-LCKKVJLRSA-N 412.501 5.393 0 40 HKAB Cc1ccc(OC(=O)c2cc(Cl)nc3ccccc23)c(-n2nc3ccccc3n2)c1 801998 YOMKKQLHAIFSGK-UHFFFAOYSA-N 414.852 5.150 0 40 HKAB CCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2F)c2ccccc2)C[C@@H]1C 822384 WJMKAUYKXYKQFP-UUOWRZLLSA-N 416.496 5.749 0 40 HKAB O=C(COc1cccc(Oc2ccccc2)c1)Nc1ccc(SC(F)F)cc1 1004553 ACQKYASSCYGQKI-UHFFFAOYSA-N 401.434 5.811 0 40 HKAB Cc1ccc(-c2csc(N3C(=O)CS[C@@H]3c3ccc4ccccc4c3)n2)cc1 1087333 YYDBYZRMVXQBJI-JOCHJYFZSA-N 402.544 6.050 0 40 HKAB COc1ccc(CCNC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1OC 1454834 WJDWDSFRKRXKDN-UHFFFAOYSA-N 420.292 5.243 0 40 HKAB CCCCOc1ccc(Nc2c(C(=O)OCC)cnc3cc4c(cc23)OCO4)cc1 1586150 XUHXNEJKDOTHOX-UHFFFAOYSA-N 408.454 5.063 0 40 HKAB Nc1ccccc1S[C@@H](CC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 2178971 ZENTYGQCECVLLE-NRFANRHFSA-N 402.346 6.682 0 40 HKAB CCCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 2294995 NMVAAOFORADXCA-UHFFFAOYSA-N 402.567 6.387 0 40 HKAB CC(C)(C)c1ccc([C@H]2CC(=O)c3cnn(-c4nc5ccccc5s4)c3C2)cc1 2329492 BUAYKWNEWWEKNY-MRXNPFEDSA-N 401.535 5.692 0 40 HKAB Cc1c(C(=O)C(F)(F)F)c2ccccn2c1C(=O)c1ccc(-c2ccccc2)cc1 3192264 NRUOPOPGCLPRBW-UHFFFAOYSA-N 407.391 5.891 0 40 HKAB Cc1ccc2c(c1)O[C@](C)(c1ccc(C)cc1OC(=O)c1ccccc1)CC2(C)C 3848539 RPNMXGTZIPURBS-MHZLTWQESA-N 400.518 6.498 0 40 HKAB biogenic Cc1ccc(C)c(Cn2c([C@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)c1 4033448 FVYJLQLRAHCONB-FQEVSTJZSA-N 413.496 5.361 0 40 HKAB CCN(CC)CCCN(C(=O)c1cccc(F)c1)c1nc(-c2ccccc2)cs1 4214754 FVVGLSAVEAVCPJ-UHFFFAOYSA-N 411.546 5.328 0 40 HKAB CCc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CCCC2)cc1 4240717 AFWUQTPGJDEQBG-HSZRJFAPSA-N 408.542 5.027 0 40 HKAB Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2cccc(C)c2)cc1 4297563 MBMIMJREZQMCMX-UHFFFAOYSA-N 405.954 6.497 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)OCc2ccc(Cl)cc2Cl)c1 4318448 NFFXWTJXAQPTOJ-UHFFFAOYSA-N 406.265 5.534 0 40 HKAB Clc1cccc(N2N=C(c3cccs3)C[C@H]2c2ccc(Cl)cc2Cl)c1 4628324 PBCAUGKTMBUPPL-SFHVURJKSA-N 407.753 7.064 0 40 HKAB O=C(Nc1c(F)cccc1Br)c1ncoc1-c1ccc2ccccc2c1 5002091 LPTOWJDPRFYLHB-UHFFFAOYSA-N 411.230 5.649 0 40 HKAB CC(C)C(OC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C 5081165 MSHNABXODXFSJJ-UHFFFAOYSA-N 400.562 6.635 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nc2ccccc2[nH]1)c1ccccc1 5628223 DQRDCUSGNWDERN-NRFANRHFSA-N 403.507 5.352 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2C)c(OC)c1 5925527 KTPWXDYGTDHITB-UHFFFAOYSA-N 405.538 5.732 0 40 HKAB C[C@H]1C[C@@H](Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccccc2)C(=O)O1 8276108 TYVBTKKKOGUPTO-OXJNMPFZSA-N 421.566 5.087 0 40 HKAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1c(C(C)C)cccc1C(C)C 8428146 FEXQDAWKPCYDKT-UHFFFAOYSA-N 423.582 6.478 0 40 HKAB CCOC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)CN1CCCC[C@H]1C 8429295 XDENPLJFWFTHMA-CQSZACIVSA-N 420.962 5.058 0 40 HKAB COc1ccc(CCNCc2cc(Cl)ccc2OCc2ccccc2)cc1OC 8493584 JOQHQICOOALVNL-UHFFFAOYSA-N 411.929 5.269 0 40 HKAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc21 8959741 HAUNEPASCCYYBC-UHFFFAOYSA-N 424.541 5.134 0 40 HKAB Cc1ccc(CN2CCC(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)cc1 9063187 MJZLFJDMZYIVNK-UHFFFAOYSA-N 411.760 5.806 0 40 HKAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 9226669 AWSUWDCLDQASFD-INIZCTEOSA-N 414.933 5.151 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(F)cc2)cc1Cl 10119208 UXPCPGNOXPRREA-UHFFFAOYSA-N 422.843 5.229 0 40 HKAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc(Cl)cc(Cl)c1OC(F)F 11364486 GLZLPJTZTONIFV-UHFFFAOYSA-N 415.223 5.196 0 40 HKAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3cccc(O)c3)no2)cc1OC 12185658 JAMAUBIGXZGQIT-OAQYLSRUSA-N 408.498 5.182 0 40 HKAB Cc1cc(NS(=O)(=O)Cc2c(Cl)cccc2Cl)ccc1Br 13680279 YTZMUBBKUJHVJM-UHFFFAOYSA-N 409.132 5.006 0 40 HKAB Cc1ccc2occ([C@@H]3Oc4ccccc4[C@H]4CC(c5ccccc5)=NN34)c(=O)c2c1 13785987 AMHICPPKRKKGNC-GJZUVCINSA-N 408.457 5.344 0 40 HKAB CCCCCCOc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 15832045 AOISGNXXTOUHOJ-UHFFFAOYSA-N 406.526 5.807 0 40 HKAB O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1cc(=O)c2ccccc2o1 16297839 OWGJGBXDDRMGAM-UHFFFAOYSA-N 421.399 5.238 0 40 HKAB CC(C)(C)c1ccc(COC(=O)c2cccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2)cc1 16323216 RPMSVUMJKUKXQA-VXKWHMMOSA-N 419.521 5.021 0 40 HKAB c1coc(-c2csc(Cc3ccc(Cc4nc(-c5ccco5)cs4)s3)n2)c1 16778619 FXKZKORKESRBTC-UHFFFAOYSA-N 410.545 6.363 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(I)cc2F)cc1 17088158 XBMUTDAPGSXCFH-BJMVGYQFSA-N 409.242 5.206 0 40 HKAB Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1 17088559 QTVYYJSLPKBNMK-GSPCLOLRSA-N 410.517 5.479 0 40 HKAB C[C@@H]1CCCCN1c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 17092530 QTBNDMQTUOJVJT-QRURKXGXSA-N 420.940 6.631 0 40 HKAB Cc1cccc(C)c1Nc1ncccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 22072923 AFXXXSAEMJPQJL-UHFFFAOYSA-N 401.388 5.593 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 22504173 KILSINXUMDROIG-UHFFFAOYSA-N 404.297 5.327 0 40 HKAB CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3CC[C@@]2(O)C1 25551086 ZHNJOTFSBYQPKP-RNLUFOAASA-N 418.706 7.238 0 40 HKAB O=C(CSc1ncnc2ccccc12)N1CCc2sccc2[C@H]1c1cccs1 29827176 JRLZHBFSVIKJCR-FQEVSTJZSA-N 423.588 5.019 0 40 HKAB Cc1ccc(OCc2nc(CC(=O)N(C)[C@@H](C)c3ccc(Cl)cc3)cs2)cc1 30315371 RKWDTDGSRWGYKQ-INIZCTEOSA-N 414.958 5.446 0 40 HKAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(Br)c(Cl)c3)CC2)c1 39758550 HMVSIMDNDOQNAY-UHFFFAOYSA-N 421.766 5.262 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)Nc2ccccc2)cc1 59960830 JHTMSZFIDOIVDS-UHFFFAOYSA-N 415.276 5.263 0 40 HKAB Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N(CC(F)(F)F)c1ccccn1 60350771 XAIRZGLBDXLREP-UHFFFAOYSA-N 417.865 5.438 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2Sc2ccccc2)cc1 72217671 OEJPYWWMAVDAJO-NRFANRHFSA-N 410.564 5.067 0 40 HKAB Cc1ccc(C)c(S(=O)(=O)C2(c3nc(-c4cccc(Cl)c4)no3)CCCC2)c1 72289736 SPJDIAWIUJMULS-UHFFFAOYSA-N 416.930 5.250 0 40 HKAB CN(Cc1ccccc1NC(=O)c1cc2ccccc2o1)C(=O)c1cc2ccccc2o1 78824260 RJRPFKQTCQWMDO-UHFFFAOYSA-N 424.456 5.704 0 40 HKAB O=C(Nc1cccc2c1CCCC2)c1ccc(I)cc1Cl 96171194 FUKFMSFHJDBYEZ-UHFFFAOYSA-N 411.670 5.076 0 40 HKAB COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1/C=C/Nc1ccc(Cl)cc1 100913003 VONRBYSTGVWPSS-MDZDMXLPSA-N 423.683 6.171 0 40 HKAB CCCCCCCC[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1 102997248 KTUPIGXZIMYICJ-RCZVLFRGSA-N 420.597 6.679 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(Cl)c1 107035139 ZGAQUMMJEKKJQL-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB CCOc1ccc2c(c1)c(C(=O)N1CCCCC[C@@H]1c1ccc(OC)cc1)c(C)n2C 141582056 XAVXNXQCSHPRTM-HSZRJFAPSA-N 420.553 5.652 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccc(I)c1 147863655 QJRLFQFZENPABC-UHFFFAOYSA-N 413.214 5.443 0 40 HKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1cccc(N2CCCC2=O)c1 219208573 XXYOGFXGJDLSSO-UHFFFAOYSA-N 402.519 5.358 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 222907646 CWASTMBACBIYRZ-XMMPIXPASA-N 403.522 6.573 0 40 HKAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccccc1Cl 224139814 PDFZVEFYUFQAKS-UHFFFAOYSA-N 424.884 5.138 0 40 HKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 224352056 HANUMCYXKMUKDB-RPWUZVMVSA-N 416.594 5.738 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)NCC(C)C)cc1 224624187 CXOSZIADGCZOBG-RUZDIDTESA-N 422.613 5.070 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1CSc1ccc(C)cc1 224660140 XHCRWJBNNYCFFK-UHFFFAOYSA-N 421.562 5.625 0 40 HKAB CCOC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c1C 225506082 FEGJFYFYNWGUAW-HSZRJFAPSA-N 418.562 5.556 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCCC4)cc3)CCCCC2)cc1 225542659 UUJHSFZEYIOSAK-UHFFFAOYSA-N 420.597 5.700 0 40 HKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 225840846 ZMLYNXHKUGUGOF-HSZRJFAPSA-N 407.551 5.068 0 40 HKAB CC(C)CN1C(=O)N(c2cccc(F)c2)[C@@H]2[C@H](c3cccc(Cl)c3)CCCC[C@@H]21 257302327 SCMQNAPIJRGUFP-RJGXRXQPSA-N 414.952 6.472 0 40 HKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260816915 SADJLLNGLYXYGC-PXDATVDWSA-N 418.622 5.644 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccc(C)cc2)cc1 408700126 YYNRXYWCMOZPFW-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1Cl 409010787 LHXCYZCGLWUIPR-YQNUULROSA-N 401.915 5.754 0 40 HKAB Clc1ccc(-c2cc(-c3ccc(OCc4ccccc4)cc3)n3ncnc3n2)cc1 409058654 UOMRQNWMFZPNOB-UHFFFAOYSA-N 412.880 5.691 0 40 HKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 409098856 QVGICYDXMRIOSQ-UHFFFAOYSA-N 419.981 6.366 0 40 HKAB Cc1ccc(C)c(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1 409120645 UZYROHVPBOWFDL-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB Cc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)c1 409131680 KCLQLYVVPVTMMR-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB O=C(N[C@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl)c1ccco1 675901 VPKLKSNWEMKGQV-LBPRGKRZSA-N 402.492 5.125 0 40 HKAB Cc1cc(C)n2cc(CSc3nc(-c4ccccc4)cc(C(F)(F)F)n3)nc2n1 950151 NWAVAKJRSREHKD-UHFFFAOYSA-N 415.444 5.114 0 40 HKAB Cc1ccc(-c2c3c(nc4sc(C(=O)Nc5cccc(F)c5)c(N)c24)CCCC3)o1 1094976 CNLNXTLPANAUQJ-UHFFFAOYSA-N 421.497 5.717 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(F)cc3)C3CCCCC3)cc2c1 1353051 KCJKXAQIMXGMNP-UHFFFAOYSA-N 407.489 5.342 0 40 HKAB C[C@H](OC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1 2251753 RWYZFTRQASMXEN-HNNXBMFYSA-N 407.853 5.021 0 40 HKAB O=C(CCCSc1nc2ccccc2c(=O)n1-c1ccccc1F)c1ccccc1 2637130 KHFGWEGDNIWOES-UHFFFAOYSA-N 418.493 5.280 0 40 HKAB CCc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4)cc2-3)OCO5)cc1 2691295 NTCYRODYKGQNKN-UHFFFAOYSA-N 407.473 5.543 0 40 HKAB Cc1cc2nnc(SCCC(=O)Nc3ccc(C(C)(C)C)cc3)n2c2ccccc12 2890738 WNKJLXRKUGXNPJ-UHFFFAOYSA-N 418.566 5.609 0 40 HKAB Clc1ccc(OCc2nc3c4c5c(sc4ncn3n2)CCCC5)c(Cl)c1 3176375 CNTFZXAOIQSXRG-UHFFFAOYSA-N 405.310 5.104 0 40 HKAB Cc1nn(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)OC(c1ccco1)=N2 3199926 OSZSLOVWKATPLC-UHFFFAOYSA-N 415.293 5.202 0 40 HKAB C[C@@H]1CCCC[C@H]1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 3290383 OQPQGIWVJZUOGT-BXKDBHETSA-N 401.384 5.391 0 40 HKAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 3655577 VZGWRFNRKATFPK-FQEVSTJZSA-N 417.436 5.599 0 40 HKAB COc1ccc(CNCC[C@@H](Cc2ccccc2)[C@@H]2CCOC(C)(C)C2)cc1OC 4028799 XENNHJMHYSULQK-XZOQPEGZSA-N 411.586 5.248 0 40 HKAB biogenic CCN1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OCc4ccccc4)c2)N3)C1 4556411 HGEDHWMJSKJKHU-JOCHJYFZSA-N 419.550 5.134 0 40 HKAB Cc1ccc(C(C)C)c(OCc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)c1 4783745 YPLBGEVXEXRYOL-UHFFFAOYSA-N 417.505 5.356 0 40 HKAB CCOc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4cccc(Cl)c4)c3c2c1 4970166 WNUZUEOCEDLFIN-UHFFFAOYSA-N 413.908 6.601 0 40 HKAB Fc1cccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc4c(cc32)OCCO4)c1 5028594 OENVQYJTMBTNSK-UHFFFAOYSA-N 411.436 5.162 0 40 HKAB Cc1c(CCC(=O)NCc2ccco2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 5235696 SODKJIJUHJDUBA-UHFFFAOYSA-N 421.493 5.296 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccc(C(C)(C)C)cc1 5478083 RIWWJVWUSMEFTL-UHFFFAOYSA-N 408.571 5.302 0 40 HKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2nc3ccccc3o2)cs1 5628583 WWOKAEVEIATGMF-UHFFFAOYSA-N 409.536 5.878 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc(F)cc2Cl)cc1 5636978 JGGZFDCMKDJIOS-UHFFFAOYSA-N 411.864 5.090 0 40 HKAB Cc1cc(C)cc(C(=O)OCC(=O)c2cc(C)n(CCc3ccc(F)cc3)c2C)c1 6084540 SVRWQFQBVMLXGR-UHFFFAOYSA-N 407.485 5.143 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccc(Cl)cc1Cl 6284357 AZGKKFNZHBLNKD-UHFFFAOYSA-N 409.165 5.850 0 40 HKAB Nc1c(Br)cc(-c2nc3cc(Cl)ccc3o2)cc1Br 6392440 IJNBADKYJOFURJ-UHFFFAOYSA-N 402.473 5.255 0 40 HKAB Fc1cccc(Cl)c1CSc1nnc(-c2ccncc2)n1Cc1ccccc1 6531559 CASFOAMCHNVAIN-UHFFFAOYSA-N 410.905 5.473 0 40 HKAB COc1ccc(NC(=O)COc2ccc(Cl)cc2Cc2ccccc2)cc1Cl 6566658 AFDZXSMFOWZJRF-UHFFFAOYSA-N 416.304 5.610 0 40 HKAB Cc1cc(F)ccc1Nc1nc2ccc(C(=O)c3ccccc3)cc2n2c(C)nnc12 6901732 SGAIVEWSLNFHOW-UHFFFAOYSA-N 411.440 5.008 0 40 HKAB CCN(CC)Cc1ccccc1CNC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 7946425 RPGHYVAFHGJIKV-IBGZPJMESA-N 404.554 5.110 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cc2ccccc2o1 8090266 UFXJRDLVEAHCKI-UHFFFAOYSA-N 420.538 5.565 0 40 HKAB Cc1ccccc1NC(=O)Cc1nc(-c2cc(C)n(Cc3ccccc3)c2C)cs1 8313968 CDYNZCACGBLMIV-UHFFFAOYSA-N 415.562 5.766 0 40 HKAB COc1cccc(CNCc2ccccc2Cl)c1OCc1ccccc1Cl 8495622 HRLNMEUOXNHLFE-UHFFFAOYSA-N 402.321 5.871 0 40 HKAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)Nc1cc(Cl)ccc1O2 9135155 LSACXOQZPANORY-UHFFFAOYSA-N 408.841 5.349 0 40 HKAB Cc1nc2cc(NC(=O)Cc3csc(-c4c(Cl)cccc4Cl)n3)ccc2o1 12804385 PZRDDXKRCGUKOI-UHFFFAOYSA-N 418.305 5.748 0 40 HKAB O=C(COc1ccccc1C1SCCS1)Nc1cc(Cl)cc(Cl)c1 12878373 QTXNFAZGGNJMTO-UHFFFAOYSA-N 400.352 5.490 0 40 HKAB CCc1sc(-c2nnc(CN[C@H](c3ccc(C)cc3)c3cccs3)o2)cc1C 12905774 RYGZRBZTPFGPDE-OAQYLSRUSA-N 409.580 5.918 0 40 HKAB O=C(Nc1ccc(Br)c(Cl)c1)/C(=C/c1ccco1)c1ccccc1 14413618 SPLUNBGVZTUWGA-FOWTUZBSSA-N 402.675 5.875 0 40 HKAB CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(c2ccc(Cl)cc2)C1=O 15009914 QYBRGLXTYFOTCG-MOSHPQCFSA-N 409.894 6.133 0 40 HKAB CCc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)cc1 16161566 YIIFZNAWORAQAC-UHFFFAOYSA-N 411.288 6.616 0 40 HKAB Fc1ccc(CNCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 16525973 CPDXPKDENGEGNN-UHFFFAOYSA-N 405.900 6.501 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3ccc(Cl)c(Cl)c3)n2)cc1OC 17088173 YQVXUTSDRZJUAU-UHFFFAOYSA-N 409.294 5.386 0 40 HKAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cc3sc4ccccc4c3s2)c(C)c1 17962431 NDOAMELRLBEZMJ-UHFFFAOYSA-N 422.575 5.752 0 40 HKAB CCc1ccc2nc(NC(=O)CSC(=S)N3[C@@H](C)CCC[C@H]3C)sc2c1 18044886 DNSNAZPGXXXCRY-BETUJISGSA-N 407.630 5.078 0 40 HKAB COc1cc2c(cc1OC)[C@@H](C[C@H](C)c1ccccc1)N[C@@H](c1cccnc1OC)C2 19456733 YCOANWSXIOOPPL-JJEOQYAHSA-N 418.537 5.229 0 40 HKAB CC(C)C[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccccc1 20110629 RGUZLPXQDUMSNE-IBGZPJMESA-N 406.389 5.586 0 40 HKAB S=c1sc2ccccc2n1CN1CCN(c2ccc(Cl)c(Cl)c2)CC1 20432522 NWUNJDVRVWNCRH-UHFFFAOYSA-N 410.395 5.519 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 20489988 FZCDYUSSAYQAQI-IBGZPJMESA-N 400.522 5.139 0 40 HKAB C[C@H]1CC[C@@H](C)[C@@H](NC(=O)Nc2cccc(NC(=O)N[C@@H]3C[C@@H](C)CC[C@@H]3C)c2)C1 20569687 IGGGFPGDTBGUDH-QNXQDRBBSA-N 414.594 5.579 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)COc4ccc(C)cc4C)ccc3o2)c1 21579457 BZJDDRFYHOAWNV-UHFFFAOYSA-N 402.450 5.138 0 40 HKAB COc1ccccc1-c1noc(CSc2nccn2-c2ccccc2C(C)C)n1 22080010 KDUDUUCMBAKMMC-UHFFFAOYSA-N 406.511 5.347 0 40 HKAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3cccc(C(F)(F)F)c3)cc2)cc1 24840963 SWSIBNXYBLYHQE-UHFFFAOYSA-N 419.424 5.028 0 40 HKAB COc1cccc(-c2cc(C(=O)Nc3ncc(Cl)cc3Cl)c3ccccc3n2)c1 27976551 CCICUBXMTZPRKO-UHFFFAOYSA-N 424.287 5.865 0 40 HKAB CC(=O)c1ccc(OCc2ccc(C(=O)NCc3ccccc3C(F)(F)F)o2)cc1 27976631 SGBULCHOWDIQCX-UHFFFAOYSA-N 417.383 5.010 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccc3ccccc23)cc1 28467675 XBCWKDITDMHEMI-UHFFFAOYSA-N 405.453 6.378 0 40 HKAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nc(-c3ccco3)nc3ccccc23)cc1 32868673 CSIQJKZLVIPOKM-AWEZNQCLSA-N 417.490 5.212 0 40 HKAB CCOc1ccc(-c2csc(-c3cc(NC(=O)c4ccccc4F)n(C)n3)n2)cc1 35683065 HVLGMOQCQGKBGU-UHFFFAOYSA-N 422.485 5.001 0 40 HKAB O=C(CCc1nc(Cc2ccccc2)no1)Nc1ccc(-c2nc3ccccc3o2)cc1 40132224 RAXPPUHMJTYEJZ-UHFFFAOYSA-N 424.460 5.040 0 40 HKAB O=C(CSc1ccccc1Cl)Nc1ccc(Cl)cc1NC(=O)c1ccco1 40146338 NLCIILCVPOFFDF-UHFFFAOYSA-N 421.305 5.570 0 40 HKAB Cc1cc(C)cc(NC(=O)COc2ccccc2-c2nc(-c3cccc(C)c3)no2)c1 46012109 DVBNJFQRTWUFPK-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB CC[C@H](CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 59065274 KZJWDPNRJALLNS-RMXUNSBXSA-N 414.718 8.025 0 40 HKAB biogenic O=C(c1c[nH]cc1-c1ccc(Cl)s1)N1CCC(Nc2ccc(F)cc2)CC1 63583833 YKTPJHRFAJBECD-UHFFFAOYSA-N 403.910 5.252 0 40 HKAB O[C@H]1CCCC[C@H]1N(Cc1ccccc1)Cc1cn(Cc2ccccc2)c2ccccc12 68605817 TYXBYAIWRNBADF-WDYNHAJCSA-N 424.588 5.995 0 40 HKAB biogenic CC(C)(C)OC(=O)Nc1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72214349 OZIMHGSTLMKGOB-LJQANCHMSA-N 411.502 5.292 0 40 HKAB Cc1nn(C)c(C)c1C[C@H](C)C(=O)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 72310800 MLLDFJKOMKIRPC-MGPLVRAMSA-N 422.369 5.081 0 40 HKAB CC(C)CC[C@H](O)[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 77291900 ISBSSBGEYIBVTO-OFCXPOQJSA-N 418.662 5.474 0 40 HKAB in-vitro CCc1nnc(O)c(-c2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)cs2)c1CC 79108476 DYWXWANCZRNZBP-UHFFFAOYSA-N 410.543 5.082 0 40 HKAB Cc1nn(C(F)F)c(C)c1CC(=O)Nc1cccc(-c2ccc(Cl)c(Cl)c2)c1 84008535 GOBCKGUJFRACGW-UHFFFAOYSA-N 424.278 6.050 0 40 HKAB Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Br)c1 98073331 QECCJCQUWITGPJ-UHFFFAOYSA-N 407.617 6.074 0 40 HKAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)Nc1cnc2ccccc2c1 107527388 LVUSFCYNZKSGNN-UHFFFAOYSA-N 424.426 5.237 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C5(C)OCCO5)[C@@]4(C)CC[C@@H]32)C1 118914825 JYRJWVYVMVQZQS-CGRIZKAYSA-N 400.559 5.180 0 40 HKAB CC(=O)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 118926384 JGDUMOBWECEMIZ-LHRURBLTSA-N 404.594 6.654 0 40 HKAB O=C(CCc1ccc2c(c1)OCCO2)Nc1cc(Cl)ccc1Oc1ccccc1 222640269 NEHUYGQTVRILRI-UHFFFAOYSA-N 409.869 5.475 0 40 HKAB Cc1cc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc(C)c1Br 222955188 YJRQARWADWPTLI-INIZCTEOSA-N 416.359 5.201 0 40 HKAB CCc1ccc(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 223423704 YWULIGUIHUPFFI-PTGBLXJZSA-N 405.925 5.638 0 40 HKAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccccc1C 224105049 NITPWKVGNRFHLZ-HXUWFJFHSA-N 403.522 5.334 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccc(C)cc1C 224117577 BUKZNUSJRKDAML-NRPPHEFGSA-N 418.562 5.403 0 40 HKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 224416047 HWMHRAXXHTXWFH-DHIUTWEWSA-N 420.557 5.705 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1COCc1ccccc1 224746776 HSZFGTLEQPRTEJ-UHFFFAOYSA-N 411.501 6.208 0 40 HKAB Cc1cc(C)cc(CSCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225131652 HZQFJZFNBPLYAY-UHFFFAOYSA-N 400.569 5.133 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)CSCc3cccc(Cl)c3)ccc21 225131759 DEWAZIQDVLLMFX-UHFFFAOYSA-N 406.960 5.169 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)CCc3ccc(Cl)c(Cl)c3)ccc21 225181849 JCXVBSDWZGPEIN-UHFFFAOYSA-N 409.338 5.522 0 40 HKAB Cc1ccccc1CNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225309930 HJKAUEXNSWBTKO-UHFFFAOYSA-N 416.590 6.010 0 40 HKAB Cc1cc(NC(=O)C2(c3ccccc3F)CCOCC2)ccc1OCc1ccccc1 225572659 DZFXAEXVAFLVTC-UHFFFAOYSA-N 419.496 5.400 0 40 HKAB S=C(NCCCSCc1ccco1)Nc1ccc(Br)c(Cl)c1 225594095 SVLLLMVXUYMHPZ-UHFFFAOYSA-N 419.797 5.305 0 40 HKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1cc(C)c(OCC(C)C)c(C)c1 225743394 LWUIJKFEDPDVAE-UHFFFAOYSA-N 405.623 6.534 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1C(F)(F)F 225956608 RKPGZGFVSBUKSZ-UHFFFAOYSA-N 411.851 6.064 0 40 HKAB O=C(COc1ccc(CNc2ccc(F)cc2)cc1Cl)Nc1ccccc1F 408557901 QMWMOJZZLXYLST-UHFFFAOYSA-N 402.828 5.248 0 40 HKAB CCOc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1ccccc1 408577439 SODQZGBNHHXBQY-UHFFFAOYSA-N 403.975 5.725 0 40 HKAB Cc1cc(Br)ccc1NCc1ccccc1OCc1cccc(F)c1 408613518 UZQASFAWSGALQN-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB CC(C)COc1ccc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 408624712 ZFIKPBGFTDRJON-UHFFFAOYSA-N 402.494 5.155 0 40 HKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)C(Cl)(Cl)Cl)c3)oc2c1 408627754 NKDMGDOLYNVGAI-UHFFFAOYSA-N 404.080 5.765 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2cccc(Cl)c2C)cc1 408697624 IRNBNKLMTYAJQE-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2c(C)cccc2C)nc1-c1ccccc1 408698876 SMQKVOZDWBMCKJ-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccccc2)cc1 408699698 YPNXXWSNTOZLJL-UHFFFAOYSA-N 420.472 5.348 0 40 HKAB COc1ccc2c(Cl)c(C3=N/C(=C\c4ccc(F)cc4)C(=O)O3)sc2c1Cl 408969160 IGCBZRWSWSDANL-WQLSENKSSA-N 422.264 5.700 0 40 HKAB O=C1OC(c2ccc(F)cc2)=N/C1=C/c1cccc(OCc2cccc3ccccc23)c1 409181236 AAPISCWROOSQFT-PCLIKHOPSA-N 423.443 5.902 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]21)c1ccccc1 409371083 FUZDSBWXKCJNRZ-YWUUFRFPSA-N 417.508 5.749 0 40 HKAB CCCOc1ccc(OC)cc1-c1ccc(C(=O)O)c(COc2cccc(C)c2C)n1 585265686 XYOGHJUDFJAOEO-UHFFFAOYSA-N 421.493 5.440 0 40 HKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N(C)C4CCCCC4)c3N2)cc1 674842 MYEXGHVYBQYSHA-RBUKOAKNSA-N 420.479 5.257 0 40 HKAB CNC(=O)Oc1cc(C(C)C)ccc1Sc1ccc(C(C)C)cc1OC(=O)NC 1671478 KUTLSGIKXCDJQK-UHFFFAOYSA-N 416.543 5.521 0 40 HKAB Cc1ccc(C(=O)Oc2ccc3ccc(OC(=O)c4ccc(C)c(C)c4)cc3c2)cc1C 2069617 VKZWRIDLIDLPLL-UHFFFAOYSA-N 424.496 6.512 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccc(Cl)cc1Cl 2280499 OXROKRNDLYKGFC-UHFFFAOYSA-N 424.287 6.959 0 40 HKAB CCCOc1ccc(Cn2c(Cc3cccc4ccccc34)nc3ccccc32)cc1 2695670 IWOZEYWRFPLWOS-UHFFFAOYSA-N 406.529 6.617 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2C)nc1 2752886 UUDXPUAFDOMELI-UHFFFAOYSA-N 414.292 5.510 0 40 HKAB Clc1ccc(CSc2nc(NCCc3ccccc3)c3ccccc3n2)cc1 2941481 XICZMMZRELCQSC-UHFFFAOYSA-N 405.954 6.230 0 40 HKAB O=C1OC(c2cccc(OC(F)F)c2)=N/C1=C/c1ccc(OCc2ccccc2)cc1 3230760 AQKZQJPCGBENMK-FYJGNVAPSA-N 421.399 5.212 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4OC)cc3)nc2c1 3770763 FXAHQYRCLBYBIB-INIZCTEOSA-N 400.478 6.269 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1-c1nc2ccccc2[nH]1 4033854 VADBEZHHWOKYAL-UHFFFAOYSA-N 412.276 5.554 0 40 HKAB Cc1ccccc1N1CCN(c2nc(-c3ccc(Cl)cc3)c3ccccc3n2)CC1 4058876 CNPGKDORHLTBJA-UHFFFAOYSA-N 414.940 5.585 0 40 HKAB CCCCCCn1c(N)c(C(=O)N[C@H](C)CCCC(C)C)c2nc3ccccc3nc21 5562019 QURCFSILYTVFCI-GOSISDBHSA-N 423.605 5.692 0 40 HKAB CC1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1 6348827 QUQYGVCZEKVLKP-UHFFFAOYSA-N 400.522 5.754 0 40 HKAB COc1ccc(Cl)cc1NC(=O)CSCCCC(=O)Nc1c(C)cccc1C 6651743 CZTNJOJZBGHJOV-UHFFFAOYSA-N 420.962 5.056 0 40 HKAB CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1=O 7543256 LWEVBHAXKHHLJG-QHCPKHFHSA-N 423.560 5.784 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 8271015 SASNUDROTSPEOB-MWMKELGTSA-N 405.586 5.143 0 40 HKAB Nc1c(Br)cc2oc(Cc3ccc(Cl)cc3)nc2c1Br 8702067 XKIUMHJWZHAMCC-UHFFFAOYSA-N 416.500 5.179 0 40 HKAB Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc3c(c(-c4ccco4)c12)CCCCC3 9271793 KSBPDXSIWIHELB-UHFFFAOYSA-N 421.497 5.799 0 40 HKAB Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Cl)cc2)N(c2ccc(F)cc2)C3=O)cc1 9308458 ONXGPYABGOTYPQ-QHCPKHFHSA-N 417.871 5.927 0 40 HKAB COc1ccc(C2=NN(C(=O)CSCc3ccco3)[C@H](c3ccc(F)cc3)C2)cc1 9444078 HCOGUECOJSBYDJ-QFIPXVFZSA-N 424.497 5.038 0 40 HKAB Cc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccccc3Cl)c2=O)cc1C 9937596 NSXASISSJFQBAP-UHFFFAOYSA-N 424.953 5.149 0 40 HKAB Cc1c(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)[nH]c2c1C(=O)CC(C)(C)C2 9996187 GNXHYQRSDHOVTB-OAHLLOKOSA-N 421.566 5.108 0 40 HKAB COc1ccc(Oc2c(C)oc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)cc1 11865239 OOZBJEPSORZODY-UHFFFAOYSA-N 422.864 6.135 0 40 HKAB biogenic CC(C)c1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 11914906 BUIQQMSVJNQMER-KRWDZBQOSA-N 400.478 6.024 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12798756 LQRUGODTXBRZIP-UHFFFAOYSA-N 416.308 5.072 0 40 HKAB CCOc1cc(/C=C/c2nc3cc(Cl)ccc3o2)cc(Br)c1OCC 13042430 OINIHJTUNYFYOA-VMPITWQZSA-N 422.706 6.212 0 40 HKAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1 17090880 RINOGPKDTQVYPG-UHFFFAOYSA-N 416.852 5.273 0 40 HKAB COc1ccc(N[C@H](c2cccc(Cl)c2)c2nnc(-c3cccc(F)c3)o2)cc1 20249471 YSGUKGZLBVXWER-HXUWFJFHSA-N 409.848 5.739 0 40 HKAB CCCCCC1CCC(c2ccc(NC(=O)NCCCN3CCOCC3)cc2)CC1 20405432 AFLAAVANZVGQAM-UHFFFAOYSA-N 415.622 5.385 0 40 HKAB Cc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(Cc2ccc(F)cc2)C4)cc1 20933986 ARZWQYPKVDODFO-UHFFFAOYSA-N 401.437 5.260 0 40 HKAB S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(-c2ccc(Cl)cc2Cl)o1 22111447 KANQMFWDEKDNIA-UHFFFAOYSA-N 417.321 5.918 0 40 HKAB C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccccc1OC(F)F 25300174 JIXWNYGFAAWQKT-GFCCVEGCSA-N 422.378 5.031 0 40 HKAB O=C(Nc1nnc(-c2ccncc2)s1)c1sc2cccc(Cl)c2c1Cl 28226068 BHHXOGPYJGNKPK-UHFFFAOYSA-N 407.307 5.374 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Cn2ccnc2)cc1 30947149 WMZOTKHBFMBVFG-UHFFFAOYSA-N 411.549 5.652 0 40 HKAB O=C(Nc1ccccc1Cl)c1ccccc1OCc1nc(-c2ccccc2)no1 32578524 VATUYZYMCBIIPZ-UHFFFAOYSA-N 405.841 5.221 0 40 HKAB Cc1cccc(NC(=O)c2c3ccccc3c(N)n2C(=O)c2ccc(Cl)cc2)c1 32604254 XUEACWXKEFGEQC-UHFFFAOYSA-N 403.869 5.126 0 40 HKAB COc1cc(COc2c(Cl)cc(CO)cc2OC)ccc1OCc1ccccc1 33711807 SGIHRKOPWSPEGE-UHFFFAOYSA-N 414.885 5.008 0 40 HKAB COC(=O)c1ccc2oc(-c3cc(Cl)c(Br)c(Cl)c3)nc2c1 45919939 ROLLLKXHYSDIDK-UHFFFAOYSA-N 401.043 5.351 0 40 HKAB O=C(COc1ccccc1-c1nc(-c2ccccc2Cl)no1)Nc1ccccc1F 46012298 LBPOACCOCHXUJH-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB CC(C)(C)[C@@H](NCc1nc(-c2cc(Br)cs2)no1)c1ccccc1 64932837 ILOMJFUJPPZBOK-INIZCTEOSA-N 406.349 5.438 0 40 HKAB CC(C)OCCCn1c(SCc2c(F)cccc2Cl)nc2ccccc2c1=O 67259134 ICTPFIWUYPVWIR-UHFFFAOYSA-N 420.937 5.296 0 40 HKAB Cc1ccc([C@@H]2C(CN3CCCCC3)=C(c3cccs3)Oc3ccccc32)cc1 71405267 ZRHOORHRLISHGV-VWLOTQADSA-N 401.575 6.478 0 40 HKAB COc1cc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c(OC)cc1Cl 71761668 XZYRFGCBCYHDFN-UHFFFAOYSA-N 406.813 5.065 0 40 HKAB COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2CCC(=O)N2CCCOC(C)C)c1 85430350 MZSANBIGXXXPHT-QFIPXVFZSA-N 406.526 5.322 0 40 HKAB CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C(=O)Oc3ccc(Cl)cc3)cc2)n1 91695112 MBXSWNAUWKTQHB-UHFFFAOYSA-N 420.818 5.706 0 40 HKAB Cc1ccc(-n2nc(C)cc2NC(=O)N2CC[C@@H](CSc3ccccc3)C2)cc1 95403788 UZJZEBCMVYLAHW-LJQANCHMSA-N 406.555 5.135 0 40 HKAB COc1cc(-c2n[nH]c(=S)n2Cc2ccccc2)ccc1OCc1ccccc1 95929456 VRGXLKOJXUOEBE-UHFFFAOYSA-N 403.507 5.244 0 40 HKAB CCCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N/c1ccccc1 100858208 JRKWJLJZAJNGAP-OCEACIFDSA-N 413.546 6.111 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118912634 YMMFNKXZULYSOQ-BZYDGCPMSA-N 420.678 5.554 0 40 HKAB CC(C)(C)OC(=O)N1[C@H](c2ccccc2Br)C[C@]2(C)C(=O)CCCC[C@H]12 218903714 LREOUHZHOVEHQM-FIKGOQFSSA-N 422.363 5.649 0 40 HKAB biogenic CC(C)C[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccccc1 219772947 YMKVFLXPJJRLRC-HSZRJFAPSA-N 407.941 6.436 0 40 HKAB O=C(NCc1cccc2ccccc12)c1ccc(OCCSc2ccccc2)cc1 222869964 BZHKANUYHLFLRY-UHFFFAOYSA-N 413.542 5.941 0 40 HKAB CC[C@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCCC2 223125492 VEIPOGGYXIQBNB-NRFANRHFSA-N 422.421 6.373 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1Cc1ccccc1 223404007 PDJVMFCZFHAOQS-PKTZIBPZSA-N 402.567 5.171 0 40 HKAB CCCSc1nnc(NC(=O)c2ccc(CSc3ccccc3)cc2)s1 223616354 UNGBWXKMGWLHOO-UHFFFAOYSA-N 401.582 5.585 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1cc(C)cc(C)c1 224195491 UUQOIUOMNBBIEN-UHFFFAOYSA-N 405.494 5.460 0 40 HKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1cccc(CN2CCCCC2)c1 224644923 UPGUTYOCYIPEGM-KRWDZBQOSA-N 402.991 5.123 0 40 HKAB Cc1ccc(SCCNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225286480 PJGKXMSDQUERTR-UHFFFAOYSA-N 415.809 5.490 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCc4ccccc4)cc3)CCOCC2)c1 225566133 TXPQPKGVIFCLOR-UHFFFAOYSA-N 401.506 5.261 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br)C(F)(F)F 226303060 VSTCXUIIGJLCFJ-UHFFFAOYSA-N 402.254 5.418 0 40 HKAB CCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 253498492 HHENOUDBWKNPAB-HUOQBECSSA-N 400.603 6.401 0 40 HKAB CC(C)n1cc(CN2CC[C@H](c3c(C(N)=O)sc4ccccc34)C2)c2ccccc21 257208913 BOBCUECKGMMZJQ-KRWDZBQOSA-N 417.578 5.525 0 40 HKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cccc(C(F)(F)F)c2)C1 257303310 SGRNLTYSUCKLOY-VWPQPMDRSA-N 423.450 5.968 0 40 HKAB O=C(Nc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 408696461 ACSLNKHFVBVJHX-UHFFFAOYSA-N 409.276 5.493 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2cccc(Cl)c2C)c1 408699391 TZXWLQIEYMVJEW-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C(Nc1cccc(Cl)c1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409065954 VIOBJHGJLIQERV-UHFFFAOYSA-N 418.924 5.498 0 40 HKAB CCc1ccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)cc1 409111376 CHNSKNRASYLDNW-UHFFFAOYSA-N 414.318 6.342 0 40 HKAB C[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1P(C1CCCCC1)C1CCCCC1 1857795243 XYSPJOWKDNSCGF-WHLCRQNOSA-N 421.631 6.572 0 40 HKAB CCc1ccc(NC(=S)N(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCC2)cc1 928183 FNPANKQIBDCYKH-UHFFFAOYSA-N 419.594 5.541 0 40 HKAB Cc1ccc(NC(=O)CSc2ccccc2NC(=O)c2ccc(Cl)cc2)c(C)c1 1332341 HWJVEROYGSPPIO-UHFFFAOYSA-N 424.953 5.940 0 40 HKAB Cc1ccc(SCc2nc3ccccc3n2CC(=O)Nc2c(C)cccc2C)cc1 1400650 UXVDFSNUMMFECO-UHFFFAOYSA-N 415.562 5.893 0 40 HKAB COc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(-c3ccc(F)cc3)cs2)cc1 1415684 RHEQELRHDGPZCS-UHFFFAOYSA-N 419.403 5.829 0 40 HKAB CCOc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Br)cc2)cc1 1441158 AMLAVLSVYUJWCU-QGZVFWFLSA-N 423.401 5.292 0 40 HKAB c1ccc2c(c1)CCC1=C2S/C(=C2\SC3=C(S2)c2ccccc2CC3)S1 1607821 HLCLRAOJDURVGY-QURGRASLSA-N 408.638 7.703 0 40 HKAB Cc1ccc([C@@H](CCN[C@H](C)c2ccc(Cl)cc2)c2ccc(OC(C)C)cc2)cc1 1819009 BQCMHIUJKMUBKE-JIPXPUAJSA-N 422.012 7.308 0 40 HKAB biogenic Cc1c2occ(-c3ccc(Br)cc3)c2cc2c3c(c(=O)oc12)CCCCC3 2092507 OPGHXJDNQBNWSV-UHFFFAOYSA-N 423.306 6.546 0 40 HKAB biogenic CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1 2188958 WZPBSANPRYWJLK-UHFFFAOYSA-N 416.344 5.517 0 40 HKAB CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1)N(c1ccc(F)cc1)C(=O)C2 2259457 JDJJIFJQJYQGMD-RUZDIDTESA-N 405.469 5.302 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1C 2661182 NDVACJGSNGGFTG-DEOSSOPVSA-N 414.461 5.096 0 40 HKAB O=C(NC1CCCCC1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 3033276 NMYSHOBRLVVRAD-UHFFFAOYSA-N 407.517 6.026 0 40 HKAB CCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(OCCC)cc3)cc2)nc1 3108140 OQNYXIBKCTUCDF-UHFFFAOYSA-N 403.522 6.489 0 40 HKAB O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccc(F)cc1 3140341 DTNOLIJSRMMKEG-UHFFFAOYSA-N 411.230 5.649 0 40 HKAB COc1ccccc1N1C(=S)N=C(NC(c2ccccc2)c2ccccc2)C1(C)C 4663327 NSZYUTYEKSODEH-UHFFFAOYSA-N 415.562 5.356 0 40 HKAB CC(C)[C@@H]1CC[C@H](C)c2c(-c3ccccc3)nn(C(=O)/C=C/c3ccc(Cl)cc3)c21 4671438 QRWRYXXMXYBSTM-NPRLTMSJSA-N 418.968 7.194 0 40 HKAB CSc1c(CC(=O)Nc2cccc(Cl)c2)n(Cc2ccccc2)c2ccccc12 4687173 ZBEZICUBMAWVGL-UHFFFAOYSA-N 420.965 6.246 0 40 HKAB CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3c2C1 4735739 NPSHTVNVJHMSRR-QGZVFWFLSA-N 411.567 6.083 0 40 HKAB CCCCCC[C@@H](C)NC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 4742933 RJDOYMNHOACIKQ-IQGLISFBSA-N 417.553 5.188 0 40 HKAB Cc1cccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccccc3)[nH]2)c1 4927679 ZVBAWZINNKJDFM-UHFFFAOYSA-N 403.507 5.054 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)cc2)c1 5235452 OTTUUZMYIOWXNH-ISKFKSNPSA-N 406.888 6.338 0 40 HKAB CCOc1cc(-c2ccc(OC)cc2)c/c(=N\c2ccc(C)cc2)c2c(C)oc(C)c12 5316639 IQGVHHSEELSLEN-ZZIIXHQDSA-N 413.517 6.665 0 40 HKAB COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCc3ccccc32)c1 6587162 AZSCTNLFNHIHGX-UHFFFAOYSA-N 409.489 5.141 0 40 HKAB CC(C)Cn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nc2cc(Cl)ccc21 6589825 XNSRKZTVICUGQX-ZDUSSCGKSA-N 412.946 5.436 0 40 HKAB O=C(NC[C@H](c1ccco1)N1CCCCC1)C1(c2ccc(Cl)cc2)CCCC1 6859755 FUZNXOMOTYQVHQ-HXUWFJFHSA-N 400.950 5.088 0 40 HKAB CCCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OCCC 7523552 ZKNIONFBVGQEAI-UHFFFAOYSA-N 407.894 5.187 0 40 HKAB O=C(NCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1)c1ccccc1 7545318 UUBMEPWWSNDXLH-UHFFFAOYSA-N 419.912 5.089 0 40 HKAB C[C@H](N[C@H](C)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)c1cccs1 7664197 XDSZRYRRMMHLAM-JKSUJKDBSA-N 421.591 5.626 0 40 HKAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)c1nnc(-c2ccccc2)o1 7743977 OIJDVHPWHSNUQN-LLVKDONJSA-N 402.401 5.552 0 40 HKAB Cc1ccc(NC(=O)[C@H](NCc2ccccc2CN2CCCC2)c2ccccc2)cc1 8229971 JELGPSIVWFIRKM-AREMUKBSSA-N 413.565 5.060 0 40 HKAB Cc1cccc(NC2=NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)c1C 8415185 JJRLBXXBJQELIW-NDENLUEZSA-N 408.910 6.299 0 40 HKAB COc1ccc(-c2c(-c3ccc(OCc4ccc(C)cc4)cc3O)n[nH]c2C)cc1 8994386 UUMXNJFIVADCLG-UHFFFAOYSA-N 400.478 5.654 0 40 HKAB C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)Nc1cccc(Cl)c1Cl 9373461 VJKMUIWLBGJCDD-LLVKDONJSA-N 423.321 5.106 0 40 HKAB COc1ccc(-c2c(NC(=O)c3cccs3)sc3ccccc3c2=O)cc1OC 9447101 FRADLEDKLFNTBS-UHFFFAOYSA-N 423.515 5.260 0 40 HKAB O=C(CSc1[nH]c(-c2ccccc2)nc1-c1ccc(Cl)cc1)NCc1ccco1 9674123 LOHASLJKVVOWDV-UHFFFAOYSA-N 423.925 5.399 0 40 HKAB Cc1cc(NC(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2Cl)no1 11117239 LEPDUTVBKMZMIH-UHFFFAOYSA-N 412.276 6.066 0 40 HKAB Cc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Cl)c(Cl)c1)C(C)(C)N2 12462550 HCNVKTANQGMUTD-PYCFMQQDSA-N 407.391 6.985 0 40 HKAB CC(=O)Nc1cccc(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)c1 12904430 JNXDVYKCKNZICT-UHFFFAOYSA-N 424.298 5.030 0 40 HKAB CC(=O)N(c1nc(COc2c(Cl)cccc2Cl)cs1)c1cccc(C)c1C 13004100 QLQKEWKYMPQESA-UHFFFAOYSA-N 421.349 6.330 0 40 HKAB CC[C@H]1[C@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)C)cc1 13757258 WOCICPKRZGZPEY-QOAWAWRESA-N 412.577 7.038 0 40 HKAB O=C(C[C@@H](Sc1cccc(Cl)c1Cl)c1ccccc1)c1ccc(Cl)cc1 16477290 FMJXNDRAWJOESZ-HXUWFJFHSA-N 421.776 7.753 0 40 HKAB COc1cc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc(OC)c1 16943245 RZBVQSWHEWPXKU-UHFFFAOYSA-N 404.491 5.475 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2Cl)cc1Cl 17088276 CSEPFNZXKPVCTR-UHFFFAOYSA-N 409.494 5.670 0 40 HKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccccc4F)cc3n2)cc1 17093325 ZOZQMAXMXYTVIG-UHFFFAOYSA-N 422.891 5.808 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCC(C)C 20462235 DYVGLIDDHURBJL-QHCPKHFHSA-N 404.510 5.022 0 40 HKAB COc1ccc(CNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1OC 20481132 WPXUIEIPBLIGBE-UHFFFAOYSA-N 407.535 5.235 0 40 HKAB COc1ccc(-n2nc(Nc3ccccc3)c3c2C[C@@H](c2ccccc2)CC3=O)cc1 20796753 DCBTZQRWHRYZCG-LJQANCHMSA-N 409.489 5.537 0 40 HKAB CN1CCN(CC[C@@H](Oc2ccccc2OCc2ccccc2)c2ccccc2)CC1 22459478 VLFRFTIUJYIZDW-RUZDIDTESA-N 416.565 5.023 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 22532652 UYCSYSVXXKYSSF-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1ccc(OC)c(CN(C(=O)c2cc3cc(Cl)ccc3nc2C)C2CC2)c1 25808674 MUVUMZRGGIBIHI-UHFFFAOYSA-N 410.901 5.019 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN1Cc1ncc(-c2ccccc2)o1 26457572 KBFGWSJILXNMLQ-GOSISDBHSA-N 416.308 5.252 0 40 HKAB Fc1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 33625163 RBXLXPAHENRLEG-XDTRZITMSA-N 400.472 6.766 0 40 HKAB C[C@@H]1CCC[C@H](N2C(=O)c3ccccc3[C@H]2NC2CCCCCCCCCCC2)[C@@H]1C 36162569 YKSIZWWEVLYGSR-SZUBIPLGSA-N 424.673 7.229 0 40 HKAB COc1c(Br)cc(Br)cc1CNc1cccc(Cl)c1C 37196611 DKCPAMLDCGMZHC-UHFFFAOYSA-N 419.544 5.794 0 40 HKAB O=c1cc(-c2ccc(F)cc2)nc2n(Cc3c(F)cccc3Cl)c3ccccc3n12 40485159 NPAGGWSSZUBYLJ-UHFFFAOYSA-N 421.834 5.296 0 40 HKAB Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1NC(=O)c1ccccc1 57313685 BGBKMCBPFDZFLR-SAPNQHFASA-N 422.484 6.159 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)cc2Cl)c(C)c1 67297293 ZBXWYGKPJFDCGH-FVDSYPCUSA-N 416.908 6.496 0 40 HKAB CCC(CC)C(=O)NC[C@@H]1C=C(C)[C@H](Cc2nc3ccc(C)cc3[nH]2)C[C@H]1C(C)C 72320842 AHQDAKKMUBBDSI-FKBYEOEOSA-N 409.618 5.821 0 40 HKAB biogenic,in-vitro O=C(Cc1ccsc1)N1CCC[C@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 72396407 QRHBCTUOYUEAIK-IBGZPJMESA-N 401.535 5.240 0 40 HKAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C(C)=O)c2)C12CCCC2 72401227 UDQFZDDNHXYBAZ-UZUQRXQVSA-N 418.537 5.179 0 40 HKAB O=C(OC1CCN(c2ccc(Cl)cn2)CC1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 84502256 ALFJKSGRVNBNMB-IAGOWNOFSA-N 424.850 5.070 0 40 HKAB COCc1nc(N2CCCC[C@@H]2c2nccs2)c2c(-c3ccccc3)csc2n1 89420395 MSABYMZDRJHMSQ-QGZVFWFLSA-N 422.579 5.693 0 40 HKAB Cc1ccc2nc(Cl)c([C@H]3CC(c4ccsc4)=NN3C(=O)c3ccco3)cc2c1 89657562 YHEYRMGAISCYFA-LJQANCHMSA-N 421.909 5.843 0 40 HKAB C[C@]12CC3CC(NC(=O)c4ccc(-c5ccc(Cl)c(Cl)c5)o4)(C1)C[C@](C)(C3)C2 101213068 GPKWBQCBRYOCSB-SOCOAQSPSA-N 418.364 6.732 0 40 HKAB CC(C)c1cccc(NC(=O)CN2C(=O)CC(c3ccccc3)=Nc3ccccc32)c1 101354172 GIIRAYJCDGXXRF-UHFFFAOYSA-N 411.505 5.306 0 40 HKAB Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1Cl 106937293 GTFQQYYEOOREKG-FXAWDEMLSA-N 401.318 6.297 0 40 HKAB C[C@@H]1CCc2c(-c3ccccc3)nc3oc(C(=O)c4ccc(Cl)cc4)c(N)c3c2C1 170622707 NVJZVQYSAQDKBP-CQSZACIVSA-N 416.908 6.086 0 40 HKAB CCc1ccc(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c(Br)c1 218863711 NDBBRTLOFLXJAX-HNNXBMFYSA-N 418.375 5.565 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1ccc2ccccc2c1 219031389 PJEPZMRBACQFQZ-KSFYIVLOSA-N 405.494 5.034 0 40 HKAB CCOc1cc(C)c([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OCC 222649114 KOJLVYBJRGFKBO-HVETUWLQSA-N 411.571 5.167 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1 224515563 JYMKPBFLZMBQNX-DEOSSOPVSA-N 408.586 5.054 0 40 HKAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1Cl 225521997 FDYUAXGLTHHYSM-OAHLLOKOSA-N 405.897 5.343 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)c2cccnc12 225862579 WSRVVAFAARWCQE-UHFFFAOYSA-N 406.501 5.859 0 40 HKAB COC(=O)c1ccc([C@@H]2Nc3c(ccc(Cl)c3Cl)[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 247847738 QEBJONZHHABPSV-KXLWJZTGSA-N 402.321 6.077 0 40 HKAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O[C@@H]5CCCCO5)CC[C@]4(C)[C@@H]3CC[C@]12C 253497635 JNLBJTOWMWKEJV-GEHXJZNZSA-N 418.618 5.873 0 40 HKAB FC(F)(F)c1ccc(Cc2ccc(C3CCN(CCc4ccccc4)CC3)nc2)cc1 257221694 DQCQEROTOITBKK-UHFFFAOYSA-N 424.510 6.113 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3c(C)c(C)n(-c4ccccc4)c3C)N21 260781575 TVYFWNIRNJPJQE-YGOYIFOWSA-N 416.594 5.777 0 40 HKAB Cc1nc(-c2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)c(C)s1 408578923 BUXXNJVUYGVPCS-UHFFFAOYSA-N 400.503 6.472 0 40 HKAB COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 408806701 BLJIRLWLFIEKPJ-FUZNGBCKSA-N 407.559 5.749 0 40 HKAB COc1cc(/C=C2\N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)ccc1C 408972799 VOEQMCSPJSFXGT-AUWJEWJLSA-N 418.301 5.870 0 40 HKAB O=C(Nc1sc2c(c1C(=O)O)CC[C@H](c1ccccc1)C2)c1ccc(Cl)cc1 585141364 TXGPMGVEJDVPAE-HNNXBMFYSA-N 411.910 5.625 0 40 HKAB C[C@H](NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2)c1ccccc1 865669 BVWWUJHOFCBHGD-YJLNNSPDSA-N 414.431 5.034 0 40 HKAB Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)c(C)c1 919428 XMFMLJONLCZURG-PBHICJAKSA-N 404.392 5.006 0 40 HKAB CCOC(=O)c1c(C)n(CCOc2cccc(Cl)c2Cl)c2ccc(O)cc12 968736 PBGXFDRLZUDMGJ-UHFFFAOYSA-N 408.281 5.218 0 40 HKAB biogenic,in-vitro COc1ccc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(Cl)cc2)cc1 1024943 FBLBNTOHNIGSQB-QHCPKHFHSA-N 415.880 5.489 0 40 HKAB CC(=O)Nc1c(Cl)c2c(c(Cl)c1Br)-c1ccc(Cl)cc1C2 1609851 NYKZGHXBCWUCOE-UHFFFAOYSA-N 405.506 5.939 0 40 HKAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(C(C)(C)C)c1 1916369 CVACAWGGMCFXQR-UHFFFAOYSA-N 414.958 6.087 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)cc2Cl)N3)C1 2062241 WNBSXIRSIZSRTA-QGHHPUGFSA-N 409.382 6.060 0 40 HKAB Cc1cc2c(cc1C)N(C(=O)c1ccc(F)cc1)C(C)(C)c1ssc(=S)c1-2 2092373 ICIQHVLMSJEERL-UHFFFAOYSA-N 415.580 6.858 0 40 HKAB Clc1cccc(CSc2nc3ccccc3c3nc(-c4ccccc4)nn23)c1 2439673 XTJFRJJTSLAYRB-UHFFFAOYSA-N 402.910 5.890 0 40 HKAB COc1ccccc1-c1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1 3122059 CRYVZAZCIYWBSV-UHFFFAOYSA-N 403.485 6.277 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1C(=O)c1ccccc1 3165149 ALBGYURVVAKRRV-UHFFFAOYSA-N 407.469 5.749 0 40 HKAB COc1ccc(CSc2nnc(-c3ccccc3F)n2C2CCCCC2)cc1F 3277325 WGJHLZCYIKIIDW-UHFFFAOYSA-N 415.509 6.029 0 40 HKAB Cn1c(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1-c1ccccc1 3338415 NDTUVWKZXDEWHL-HSZRJFAPSA-N 424.529 5.680 0 40 HKAB Cc1cc(F)ccc1NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 3407093 KIJFLFSVJYETOP-NTEUORMPSA-N 415.443 5.778 0 40 HKAB CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 3765488 XXIZMDHZIPNLEO-QFIPXVFZSA-N 410.304 5.921 0 40 HKAB COc1ccc(OCCSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 3766855 OWNAKGOUMUXCLF-UHFFFAOYSA-N 402.519 5.923 0 40 HKAB Cc1ccccc1CSc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 4328462 ITAYPSGTZSMHMN-UHFFFAOYSA-N 410.351 5.698 0 40 HKAB CCOc1ccc([C@@H](Cc2ccccc2)NC(=O)c2ccc(OC)cc2)cc1OCC 4656370 NXYKNAFCWPQUPQ-HSZRJFAPSA-N 419.521 5.206 0 40 HKAB COc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3ccc(F)cc3)C[C@H]21 4715850 KJVAJZAJVZWKBQ-ZJSXRUAMSA-N 420.509 5.799 0 40 HKAB CC(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc23)cc1 4734499 RBGPUJLXMNIWDU-SANMLTNESA-N 423.516 5.475 0 40 HKAB COc1cccc(-c2cc(C(F)(F)F)nc(N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)n2)c1 4757749 TVGVACZMYUWTHM-BTYIYWSLSA-N 405.464 5.576 0 40 HKAB O=C(COC(=O)c1cc2c(s1)CCCCC2)Nc1ccc(SC(F)F)cc1 4768014 MVFMFWXCKIVUQX-UHFFFAOYSA-N 411.495 5.127 0 40 HKAB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 4786783 ZPQXLAJIYAOLKV-XMMPIXPASA-N 424.504 5.281 0 40 HKAB Fc1cccc(-c2cc3nc4c(c(NCc5cccc(Cl)c5)n3n2)CCCC4)c1 4980737 XSCRZCZWJUNGCU-UHFFFAOYSA-N 406.892 5.680 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccc(F)cc2)cc1 5577005 GPJAQBADUAXNAB-UHFFFAOYSA-N 418.468 5.070 0 40 HKAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nc(C)nc3sc(C)c(C)c23)c1C 5822814 HEFBWFFNOXSZAN-GFCCVEGCSA-N 417.600 5.217 0 40 HKAB CCc1ccc(N(CC(=O)c2ccc(Br)cc2)C2=NCCCS2)cc1 6870945 NFJZQTWUHIFQKC-UHFFFAOYSA-N 417.372 5.194 0 40 HKAB CCN(CC)Cc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 9062673 STADRXGYOGJPEH-UHFFFAOYSA-N 413.993 5.033 0 40 HKAB Cc1nc(-c2cccc(NC(=O)CCc3nc(-c4ccc(Cl)cc4)no3)c2)cs1 9466006 ABEOGZYYMGQJLV-UHFFFAOYSA-N 424.913 5.393 0 40 HKAB CCOc1cccc2sc(N(Cc3cccnc3)C(=O)Cc3ccc(F)cc3)nc12 10020294 HUFWYQYDGFJBTE-UHFFFAOYSA-N 421.497 5.005 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 10315110 YUNYKHNCHBDZDR-UHFFFAOYSA-N 422.550 5.173 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3ccc(Cl)nn3)ccc21 10653531 QNJMAVFYVKFTIH-ZDUSSCGKSA-N 410.930 5.377 0 40 HKAB Cc1ccc(OCCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1C 11667397 SHLDYQMMYJUDQH-LJQANCHMSA-N 417.509 5.206 0 40 HKAB COc1ccc(-c2coc3cc(OCc4cccc(Cl)c4)ccc3c2=O)cc1OC 11866300 SRCMZYDXIXXOEW-UHFFFAOYSA-N 422.864 5.710 0 40 HKAB biogenic C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)N[C@H](C)c1nc2ccccc2n1C(F)F 12535715 LMEIXNFWUHXPLD-OLZOCXBDSA-N 406.864 5.548 0 40 HKAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1cc(Cl)ccc1Cl 13014631 YIMRLABZKZMQMJ-UHFFFAOYSA-N 418.132 6.676 0 40 HKAB C[C@@H](NC(=O)NCc1ccc(NC(=O)c2ccco2)cc1)c1cccc2ccccc12 13049324 BXZFSBITSJFVAU-QGZVFWFLSA-N 413.477 5.246 0 40 HKAB COc1cccc(-c2nc(Oc3ccccc3Br)c3ccccc3n2)c1O 13811361 SZANDANXDZWVST-UHFFFAOYSA-N 423.266 5.566 0 40 HKAB O=C1C[C@@H](c2cccc(F)c2F)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15082328 IZBYTNYQJFQUNN-LBPRGKRZSA-N 403.381 5.005 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1 17090351 VZPVZUREKPMULI-UHFFFAOYSA-N 415.518 5.492 0 40 HKAB Cc1cc(C[C@@H]2CCC[C@H]2N(Cc2ccncc2)Cc2cccc(OC(C)C)c2)on1 19120487 NIRTUPBBAKHPFU-JYFHCDHNSA-N 419.569 5.579 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc(Cl)c3)C3CCCCC3)cc2c1 20442521 XNPIAIPVJNVDQU-UHFFFAOYSA-N 408.929 5.465 0 40 HKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccc(OCC(C)C)c1 20611146 OEJQTOCNYXKXRN-UHFFFAOYSA-N 418.472 5.155 0 40 HKAB CCc1ccc(O[C@@H](C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1 28288045 BZMPNGVYGQGZIG-HNNXBMFYSA-N 414.958 5.152 0 40 HKAB CCc1ccc(N(CC(=O)c2ccc(Cl)c(Cl)c2)C2=NCCCS2)cc1 28527571 LTGCVKGMTUICCA-UHFFFAOYSA-N 407.366 5.738 0 40 HKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 31165761 LIIFBMGUDSHTOU-CFYIDONUSA-N 424.713 8.377 0 40 HKAB biogenic,in-vitro Cc1ccc(NC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)cc1C 33170764 DVBABJQLDLUMDL-UHFFFAOYSA-N 402.498 5.128 0 40 HKAB S=C(c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)N1CCCC1 33620360 FNRLNJASYKGULF-UHFFFAOYSA-N 400.758 5.997 0 40 HKAB CC1=C(C(=O)OC(C)(C)C)C(c2cccc(Cl)c2)C(C(=O)OC(C)(C)C)=C(C)N1 35181710 ZWRWUGYRVUDOOY-UHFFFAOYSA-N 419.949 5.258 0 40 HKAB COc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1Cl 35200185 WITTYGPEHXGVLJ-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB CCSc1ccccc1NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 44938651 UEOZXMVLSNGTTQ-UHFFFAOYSA-N 406.954 5.442 0 40 HKAB FC(F)(F)c1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)cc1 57429419 DHJCMGVFAJZVDT-UHFFFAOYSA-N 402.441 6.093 0 40 HKAB Cc1cccc(Nc2cccc([C@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)n1 72375640 LUBJUBPAXWZLTJ-JOCHJYFZSA-N 418.516 5.354 0 40 HKAB CC1=C[C@@H](CN(CC2CC2)CC2CC2)[C@H](C(C)C)C[C@H]1Cc1nc2c(C)cccc2[nH]1 77262097 DTEWDOZBJNXZKU-SDHOMARFSA-N 419.657 6.390 0 40 HKAB biogenic,in-vitro CCn1ccc2cc(NC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C)ccc21 83843607 OSBCOOGMWDIWGD-UHFFFAOYSA-N 414.292 6.184 0 40 HKAB CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Br)c1OC(C)C 106990815 NHLAUNBPYOTHFA-UHFFFAOYSA-N 416.718 6.040 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3C)o2)cc1C 108249301 XKOBQXINPDFDTE-UHFFFAOYSA-N 422.488 5.858 0 40 HKAB CC(C)CC[C@H](O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913526 RZPAXNJLEKLXNO-XWXSNNQWSA-N 402.663 6.360 0 40 HKAB in-vitro COc1ccc([C@H]2CCCCCN2C(=O)Cc2c(C)[nH]c3c(C)cc(C)cc23)cc1 141533963 IDUIYYMIZKCCCB-XMMPIXPASA-N 404.554 5.788 0 40 HKAB Cc1nn2c(C(F)(F)F)cc(-c3ccc(OC(C)C)cc3)nc2c1Br 215880936 YILJIKKCNYDPNZ-UHFFFAOYSA-N 414.225 5.273 0 40 HKAB O=C(/C=C/c1cccnc1)Nc1ccccc1-c1csc(-c2ccccc2F)n1 217651975 YRIMCEIDSGMPLU-VAWYXSNFSA-N 401.466 5.663 0 40 HKAB O=C(CCc1cccc2ccccc12)Nc1ccccc1C(=O)NC1CCCCC1 222665288 WOYWIHAFAFQWGA-UHFFFAOYSA-N 400.522 5.474 0 40 HKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 225084383 MMQWPEOMMJOYIP-FCHUYYIVSA-N 422.613 5.383 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1F 225393025 YPWRNYXDUQNYHX-UHFFFAOYSA-N 401.890 6.032 0 40 HKAB CC(C)CCCCCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 225459671 WICAPTTWPBEVPW-QHCPKHFHSA-N 403.607 6.136 0 40 HKAB biogenic,in-vitro COc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1C(C)C 225672831 RGHSVHYXGPNVIY-VWLOTQADSA-N 423.578 5.503 0 40 HKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c2ccccc12 225845293 NDBIVTPBAQKIND-UHFFFAOYSA-N 413.602 6.823 0 40 HKAB Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3ccc(Cl)cc3Cl)oc12 226271364 MSLMYYYGQKGBSC-UHFFFAOYSA-N 403.187 5.635 0 40 HKAB Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c(Br)c1 227148144 GCSGYUGDYJIFQV-JXMROGBWSA-N 417.690 5.597 0 40 HKAB COC(=O)c1ccc2c(c1)[C@H]1O[C@@H](C)[C@@H](c3cccc(Cl)c3)C[C@@H]1C(C)(C)O2 257222313 DSUWXAQGERSQKY-ANFFJROASA-N 400.902 5.548 0 40 HKAB CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cc(Cl)ccc2O)C1 257295795 QZWQLNPXPQYJRV-ZVDOUQERSA-N 408.325 5.577 0 40 HKAB CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 408709128 XXFOMAVTHPYMPM-HJOIGYKYSA-N 424.507 5.170 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)sc2c1 408971706 JVSJUJBXJKRKPU-UHFFFAOYSA-N 404.240 6.788 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 408992656 ASZBRNSLKIJENY-ILWGZMRPSA-N 409.407 5.875 0 40 HKAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 409003061 RCRYDMOZIRMGKN-GOSISDBHSA-N 408.542 5.108 0 40 HKAB CCOc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(C)cc3)sc2C)cc1 409199657 IMZDMJSAVWGSJG-UHFFFAOYSA-N 408.523 5.427 0 40 HKAB Cc1ccc(OCc2nc(C(C)C)c(-c3cccc(Cl)c3)cc2C(=O)O)c(C)c1 585265514 RUDAWGCMVQENOH-UHFFFAOYSA-N 409.913 6.419 0 40 HKAB Cc1nn(C(=O)c2ccc(COc3ccccc3Cl)cc2)c(C)c1Br 659158 PKGJAENDZWQUHW-UHFFFAOYSA-N 419.706 5.183 0 40 HKAB Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c(C)c1 919425 XMFMLJONLCZURG-YOEHRIQHSA-N 404.392 5.006 0 40 HKAB Cc1ccc([C@H]2CC(=O)c3cnc(Nc4nc(C)c5cccc(C)c5n4)nc3C2)cc1 2216746 DNCPRBICKOZQSI-GOSISDBHSA-N 409.493 5.001 0 40 HKAB O=c1c2c(nc3n1C[C@@H](c1ccccc1)S3)-c1ccccc1CC21CCCCC1 2288687 WTDIQRVDYMXLNQ-FQEVSTJZSA-N 400.547 5.515 0 40 HKAB biogenic Cc1ccc([C@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 2585866 QVNBKPSESKXKBL-QHCPKHFHSA-N 401.462 5.050 0 40 HKAB Cc1ccc(-c2csc3ncnc(N4CCN(c5ccc(F)cc5)CC4)c23)cc1 2701336 NWQDNJIIOHQEAG-UHFFFAOYSA-N 404.514 5.132 0 40 HKAB O=C(Nc1cccc(NC(=O)c2cccc3ccccc23)c1)c1ccccc1Cl 3068825 IHMJGJRJVJEBAA-UHFFFAOYSA-N 400.865 5.998 0 40 HKAB Cc1ccc(-c2ccc(/C=C/c3ccc(-c4ncc(-c5ccccc5)o4)cc3)o2)cc1 3260495 YAOSLDAOGXRIQT-LFIBNONCSA-N 403.481 7.747 0 40 HKAB Cc1ccc(-c2csc3ncnc(Nc4ccc(Oc5ccccc5)cc4)c23)cc1 3268546 OQYNSBBAZGEGBC-UHFFFAOYSA-N 409.514 7.203 0 40 HKAB c1csc(Cc2nnc(SCc3cn4ccsc4n3)n2C2CCCCC2)c1 3276703 GPJPOFRDSOGXEU-UHFFFAOYSA-N 415.613 5.437 0 40 HKAB C[C@H]1CCc2c(sc3ncnc(OCCOc4ccc(Cl)cc4Cl)c23)C1 3308471 YBKWLVGNRASUMR-NSHDSACASA-N 409.338 5.581 0 40 HKAB CCCOc1ccccc1OCC(=O)Nc1cc(Cl)ccc1N1CCCCCC1 3348669 CCHHWYNQBSIETC-UHFFFAOYSA-N 416.949 5.527 0 40 HKAB O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1ccccc1C(F)(F)F 4079128 DZMKEOBJWFYILI-UHFFFAOYSA-N 407.461 5.277 0 40 HKAB Cc1cc2nc(N(Cc3cccnc3)C(=O)c3ccc(N(C)C)cc3)sc2cc1C 4304983 QZHVHDGZZALTTH-UHFFFAOYSA-N 416.550 5.221 0 40 HKAB SC1=NC(C2C3CC4CC(C3)CC2C4)=C[C@H](c2ccc(Br)cc2)N1 5032938 SZLXSCZVCBIFBH-SHGVOIDZSA-N 403.389 5.335 0 40 HKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1c1nc2ccccc2s1 5272027 HDUNYGHFIQXNAE-HXUWFJFHSA-N 410.454 5.153 0 40 HKAB CCCCCCC1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccc(Br)cc1 5711680 AYYGBVVORHXHFQ-IFMALSPDSA-N 413.359 6.614 0 40 HKAB CC(C)(C)c1ccc(C2=Nc3ccc(F)cc3C(c3ccc(Cl)cc3)=NN2)cc1 6075409 DKUNDZHLXNFHQQ-UHFFFAOYSA-N 405.904 6.211 0 40 HKAB O=S(=O)(Oc1ccc(Cl)c2cccnc12)c1ccc(C2CCCCC2)cc1 6183789 QYAJTWBVEWKXNQ-UHFFFAOYSA-N 401.915 5.704 0 40 HKAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3cccc(Br)c3)o2)c1 6203474 QELRIUJUXWVLHD-UHFFFAOYSA-N 403.301 5.091 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 6243182 PCLBIFUNWHXPSV-GOSISDBHSA-N 418.562 5.906 0 40 HKAB Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)CCC(C)(C)Cl)c3)oc2c1 6276200 XQOXEABPTXPQPK-UHFFFAOYSA-N 415.946 5.414 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3o2)cc1 6503636 FZZQYWIHUPGBNU-UHFFFAOYSA-N 420.896 6.253 0 40 HKAB CCc1cccc(CC)c1NC(=O)CSc1nnc(Nc2ccc(C)cc2)s1 6619941 JCHGWXHIPHEKOX-UHFFFAOYSA-N 412.584 5.446 0 40 HKAB O=C([C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1)N1CCCCC1 7088887 LQEICFAHQOSJAG-HXUWFJFHSA-N 418.522 5.064 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1 8266180 XADRJKJWAKBAGG-HXUWFJFHSA-N 420.512 6.097 0 40 HKAB Fc1ccccc1-c1nnc(SCc2csc(-c3cccs3)n2)n1C1CC1 8324197 MVYKUXHEGJXLNK-UHFFFAOYSA-N 414.556 5.896 0 40 HKAB O=C(CN(C1=NCCCCC1)c1ccc(Br)cc1)c1ccc(Cl)cc1 8418601 JTBGALIQGQPBMJ-UHFFFAOYSA-N 419.750 5.764 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2nccs2)c2ccccc2)c1C 8548592 XTRUYBKSNMHHMJ-FQEVSTJZSA-N 419.575 6.275 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](Sc1ncccn1)c1ccccc1 8704841 CDMDFJGWBSMVCD-MRXNPFEDSA-N 423.847 5.621 0 40 HKAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)N[C@@H](C)CCc4ccco4)c(C)c32)c1C 8765017 UVNIMTQEQAFQGY-AWEZNQCLSA-N 421.493 5.046 0 40 HKAB biogenic COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2Cl)c(OC)c1OC 8994609 DSMDNHXHFWWSDN-QFIPXVFZSA-N 424.884 5.137 0 40 HKAB O=C1CCCC[C@@H]1Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 9464734 DUDMVVWBNPSQML-KRWDZBQOSA-N 419.337 5.240 0 40 HKAB COc1ccc(-c2cc(=O)oc3c(C)c(OCc4ccc(Cl)cc4F)ccc23)cc1 11866631 IKUVGXQEBQWHSU-UHFFFAOYSA-N 424.855 6.149 0 40 HKAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cncc(Br)c1 12766982 VKNADMUWEJSVGS-UHFFFAOYSA-N 416.256 5.073 0 40 HKAB CN(C(=O)c1csc(COc2ccc(Cl)cc2)n1)c1nc2ccccc2s1 12767190 HLQWLGUTMATHLV-UHFFFAOYSA-N 415.927 5.262 0 40 HKAB CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1cc2ccccc2oc1=O 12948626 UICQPAFGCIKOJX-UHFFFAOYSA-N 413.473 5.034 0 40 HKAB O=C(COC(=O)c1oc2ccccc2c1COc1ccccc1)c1ccc(Cl)cc1 13132188 NDNZTQIZLDBKFZ-UHFFFAOYSA-N 420.848 5.705 0 40 HKAB COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)CC[C@@H](c4ccccc4)[C@H]3C2=O)cc1 13387927 QLBWEDTZLSUCNV-UCDDGIFISA-N 411.501 5.162 0 40 HKAB O=C([C@H]1CCC[C@H]1c1ccc(Cl)cc1)N1CCN=C1Cc1cccc2ccccc12 13774231 HLPFHHVQRDDGTI-ZEQRLZLVSA-N 416.952 5.860 0 40 HKAB Cc1ccc(-c2nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)cs2)cc1 14196037 GYNILUMKHJKSHK-UHFFFAOYSA-N 417.500 5.460 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 14609722 AOIRNICKVLOJPI-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1OCC 15016178 CUEKYCIBMIWGAQ-DVECYGJZSA-N 420.534 5.788 0 40 HKAB CC(C)C[C@@H](NC(=O)c1ccc(C(C)C)cc1)C(=O)Nc1ccc(F)c(Cl)c1 15079873 RPTGLKRMSVHJEY-HXUWFJFHSA-N 404.913 5.386 0 40 HKAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1 17042116 CFPKAUZMRAULCT-UHFFFAOYSA-N 408.914 5.089 0 40 HKAB O=c1c2c3c(sc2[nH]c(=S)n1-c1cccc(Br)c1)CCCCCC3 17092642 OPTCQGYYDXUPRR-UHFFFAOYSA-N 421.385 5.531 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)c4cccc(Cl)c4)ccc3o2)cc1OC 20411919 PQEFRERWFCYQHW-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1cc(Br)ccc1Cl 21577807 ZWWDSTXGHUUNJI-UHFFFAOYSA-N 411.702 5.484 0 40 HKAB CC(C)[C@@H](NCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1ccc(F)cc1 23908058 UZFJEHGXBGSTCG-OAQYLSRUSA-N 407.514 5.278 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccccc3Cl)N(C)C)sc2c1 28287534 XEZNTQNNOULZOV-INIZCTEOSA-N 407.366 5.549 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(-c4nc5ncccc5o4)cc3C)CCCC2)cc1 30822858 AMKHAZLREOBYAY-UHFFFAOYSA-N 411.505 5.957 0 40 HKAB CCOc1c(Br)cc(F)cc1NC(=O)c1cc(F)c(F)cc1Cl 32899265 IMQCGLPAMAYZEZ-UHFFFAOYSA-N 408.601 5.171 0 40 HKAB Cc1nc2c(cc1NC(=O)Nc1ccccc1Cl)nc(C)n2Cc1ccccc1 35288565 ZBKJVBUXPBSYEL-UHFFFAOYSA-N 405.889 5.394 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 37208963 ZVUMSGMZYQIWMQ-HSZRJFAPSA-N 410.608 5.828 0 40 HKAB O=C(CSc1nc(-c2ccc(F)cc2)[nH]c1-c1ccccc1)Nc1ccccc1 37868001 XQQMUPLBIHVIBC-UHFFFAOYSA-N 403.482 5.614 0 40 HKAB CC(C)C[C@H](NC(=O)c1ccc(COc2ccccc2)o1)c1nc2ccccc2[nH]1 49573911 YILMNDUSBFJQAB-NRFANRHFSA-N 403.482 5.252 0 40 HKAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1occc1-c1ccccc1 49590067 NKBQWOYQPISJIB-QHCPKHFHSA-N 407.473 5.537 0 40 HKAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3cc(C(C)(C)C)nn3C(C)(C)C)c2)n1 60300998 GDTLDDIHPBHNJZ-UHFFFAOYSA-N 407.562 5.050 0 40 HKAB CCCCc1ccc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)cc1 64872263 GRCOFNSAXCWVRL-UHFFFAOYSA-N 414.574 7.109 0 40 HKAB Cc1ccc(Cn2c(SCc3cc(F)ccc3F)nc3ccccc3c2=O)cc1 67259472 WTMZEXNSKVRKBZ-UHFFFAOYSA-N 408.473 5.324 0 40 HKAB Cc1nn(C(C)C)c(C)c1CN1CCC[C@@H]1c1ccc(Nc2ccc(F)cn2)cn1 72353200 LNJZHUMVMUCIIT-JOCHJYFZSA-N 408.525 5.091 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1 100664056 QXMLLPPWQYFRSJ-CRNSPECLSA-N 407.469 5.190 0 40 HKAB CC(=O)c1cccc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)c3ccccc32)c1 101629800 OGNYHNLSQYGMPY-BUVRLJJBSA-N 410.473 5.146 0 40 HKAB N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1CCc1ccccc1F 102716866 LBUFLEVJEJYDCF-UHFFFAOYSA-N 413.905 5.407 0 40 HKAB C=Cc1cc(-c2c(O)c3ccccc3n(-c3ccccc3)c2=O)nn1-c1ccccc1 103565437 AKWFPSGNOQHCEE-UHFFFAOYSA-N 405.457 5.192 0 40 HKAB Cc1ccc(SCCNC(=O)COc2ccc(C(C)C)cc2Br)cc1 218869933 DAUKEAFUUJNOGP-UHFFFAOYSA-N 422.388 5.168 0 40 HKAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 224164568 MWFFWBUTLKBHRY-DEOSSOPVSA-N 422.613 5.169 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccc(C)cc1 224473155 HGTLRLKTSSPBIB-OAQYLSRUSA-N 417.549 5.724 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc4ccccc34)o2)c1 224899183 KYIJKDBDJWAIPB-UHFFFAOYSA-N 420.468 6.423 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCCN4CCCC4)cc3)CCCC2)c1 225510117 QMOGWKKCRFSMRQ-UHFFFAOYSA-N 406.570 5.310 0 40 HKAB CCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C 225877433 CJWAELUMDZBAHA-UHFFFAOYSA-N 423.340 5.173 0 40 HKAB CC(C)C/C=C\[C@H](C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]32)C1 253617381 XBGUSQBSWPZOOX-AJOCCDRYSA-N 414.630 6.229 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(CNc2ccccc2)cc1Cl 408558615 UZBBAHIINLVLFM-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB CCOc1cc(C(=S)NCc2ccco2)ccc1OCc1ccccc1Cl 408572297 FWQSOHGSJHIPTR-UHFFFAOYSA-N 401.915 5.376 0 40 HKAB O=C(C(=O)N1CCCCC1)c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 408574474 UWSGHWUOOKQTSN-UHFFFAOYSA-N 415.320 5.192 0 40 HKAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1Cl 408592285 JUAZWWKXQLBCPO-UHFFFAOYSA-N 414.232 5.212 0 40 HKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Br)o1 409176996 AFGHJIYKUSSBBD-SFHVURJKSA-N 419.658 5.477 0 40 HKAB COc1cccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1OC(C)C 409238745 LTVHWQQSVLKGJO-WOJGMQOQSA-N 417.914 5.372 0 40 HKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)c3ccccc3)n2)cc1 409385546 NEIOHIAMXDBDRP-UHFFFAOYSA-N 404.413 5.146 0 40 HKAB CC(C)=CCC[C@@]1(C)Oc2c(-c3ccc(C(=O)O)cc3)cccc2[C@@H]2O[C@H](C)CC[C@H]21 585265857 RXXYCAIZRDUWGU-UBJKNDRWSA-N 420.549 6.806 0 40 HKAB CC(C)CC(=O)N1CCCCCCCN(CCCc2ccccc2)Cc2ccccc21 643559589 ZCIDAUNOYSMFSG-UHFFFAOYSA-N 420.641 6.465 0 40 HKAB Cc1ccc(CSc2nnc3c(n2)O[C@H](c2ccco2)Nc2ccccc2-3)cc1 684655 ZXHNZTIHWIJZJZ-HXUWFJFHSA-N 402.479 5.235 0 40 HKAB Cc1ccc2oc(-c3cc(NC(=O)COc4ccccc4C)ccc3Cl)nc2c1 995809 ADFDZFDAARHUNE-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB CCc1ccc2nc(Cl)c(CN(CCc3ccc(OC)cc3)C(=O)C3CC3)cc2c1 1339472 VVKCYYRUUXFBJB-UHFFFAOYSA-N 422.956 5.441 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O 1391109 NYXQARBFRHLJEN-UHFFFAOYSA-N 407.684 5.109 0 40 HKAB CCc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)cc1 1413931 SCVUWMNWIFYKQI-UHFFFAOYSA-N 414.505 6.000 0 40 HKAB Cc1ccc(-c2csc(-n3nc(-c4ccc(Br)cc4)cc3N)n2)cc1 1415866 ULEWLIZRTPXJCO-UHFFFAOYSA-N 411.328 5.316 0 40 HKAB COc1ccccc1OP(=O)(Oc1ccccc1OC)Oc1ccccc1OC 1846529 ADBFDJQRBQZXAB-UHFFFAOYSA-N 416.366 5.357 0 40 HKAB Clc1cccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)c1 2266552 XXNQONLDPNAFGO-UHFFFAOYSA-N 400.696 7.001 0 40 HKAB COc1cccc(NC(=O)/C(=C/c2cccc3ccccc23)NC(=O)c2ccccc2)c1 2285835 IWZKUZJJXYZEIC-UQQQWYQISA-N 422.484 5.258 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Br)cc1F 2314240 BWUGWQCHLAIDOX-UHFFFAOYSA-N 409.642 5.457 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(Cc1ccco1)C3=O 2377674 KGAXAIYACQXVNW-HXUWFJFHSA-N 405.837 5.093 0 40 HKAB CCCCn1nc(NC(=O)c2ccc(OCC)cc2)c2cc3ccc(C)cc3nc21 2444814 JKYJXQOIBLGJOR-UHFFFAOYSA-N 402.498 5.344 0 40 HKAB O=C(c1cc2nc(C3CC3)cc(C(F)F)n2n1)N(C1CCCCC1)C1CCCCC1 2771067 OCJZMZORIJIQTF-UHFFFAOYSA-N 416.516 5.652 0 40 HKAB Cc1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 3240001 MGFUUZLGZSMYSA-UHFFFAOYSA-N 406.536 5.035 0 40 HKAB Clc1ccc(N2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)cc1Cl 3267684 YMWDGUCZVKSQFM-UHFFFAOYSA-N 419.381 5.204 0 40 HKAB CC(=O)CCc1ccc2oc(C(=O)Nc3ccc(Br)cc3)c(C)c2c1 3304460 HJOGVLIKKFUSLF-UHFFFAOYSA-N 400.272 5.278 0 40 HKAB Cc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 3636302 DYYJUGHJJBURCM-RUZDIDTESA-N 416.546 5.064 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 4031627 IPPHGLHLBTUNAT-UHFFFAOYSA-N 402.519 6.149 0 40 HKAB CCOc1ccccc1/C=C/c1nc2ccc(OC(F)(F)F)cc2c2c1CCS2 4053544 YDKHKHNRSBXCBA-VQHVLOKHSA-N 417.452 6.351 0 40 HKAB Cc1ccc(NC(=O)CSc2ccccc2NC(=O)c2ccccc2)cc1Cl 4217082 SDXLWWXBJXBQKQ-UHFFFAOYSA-N 410.926 5.632 0 40 HKAB O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1Cc1ccccc1Cl 4444753 HHCNSOMGIBZQTR-UHFFFAOYSA-N 410.901 5.530 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1 4703906 CVMYMRGVRPKNED-UHFFFAOYSA-N 414.505 6.543 0 40 HKAB C[C@@H](CC(=O)N[C@H](C)c1ccccc1)CC(=O)N(c1ccccc1)c1ccccc1 4715694 OFPVYRAZKRUJIT-LEWJYISDSA-N 400.522 5.645 0 40 HKAB O=C(c1ccc(-c2ccccc2)cc1)N(Cc1ccccc1)[C@H]1C[C@@H]1c1ccccc1 4729318 OYRSPUUZSADOAU-IZLXSDGUSA-N 403.525 6.552 0 40 HKAB COc1ccc2ccccc2c1[C@@H]1N=C(O)c2c(sc3c2CC[C@H](C(C)(C)C)C3)N1 4783905 JZKPOVKCXXICMA-OYHNWAKOSA-N 420.578 6.490 0 40 HKAB O=C(NCCCCCCCCCCCCNC(=O)c1ccccc1)c1ccccc1 5515572 UWERUMFHBSULOR-UHFFFAOYSA-N 408.586 5.747 0 40 HKAB CSc1nsc(SCSc2ccnc3cc(C(F)(F)F)ccc23)n1 6275367 AFNASRBHRSCPAS-UHFFFAOYSA-N 405.517 5.669 0 40 HKAB CCC(C)(C)c1ccc(OCCCC(=O)NCc2ccncc2)c(C(C)(C)CC)c1 6317885 LTPPYEVOOBQHLL-UHFFFAOYSA-N 410.602 5.932 0 40 HKAB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)c(OC)c1 6642113 KHTQBWLJEZPZAP-KZDSMTQLSA-N 407.554 5.085 0 40 HKAB COc1ccc(-c2c(NCc3ccccc3)oc3c2c(=O)n(C)c2ccccc32)cc1 6670064 MXNIQEQZNZFEFX-UHFFFAOYSA-N 410.473 5.572 0 40 HKAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1sc2ccccc2c1Cl 6816684 YAHVNAKQYKSLJQ-UHFFFAOYSA-N 405.350 6.451 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 6866464 RBIGYONPEICXQO-UHFFFAOYSA-N 400.434 5.401 0 40 HKAB CCOC(=O)c1c(NC(=O)CCSCc2ccccc2)sc2c1CCCC2 7685725 BUBBHSYVEIEZHO-UHFFFAOYSA-N 403.569 5.066 0 40 HKAB COc1cc(-c2nc3ccccc3s2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 8112602 JCZFXMDBZKAOIV-UHFFFAOYSA-N 419.546 6.094 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8475506 IBWSYNCFNXUJSL-AWEZNQCLSA-N 404.853 5.231 0 40 HKAB CC(C)c1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccncc2)cc1 8606665 YCPBQQCYNCGXLM-RUZDIDTESA-N 424.504 5.046 0 40 HKAB CNc1nc(-c2ccccc2)c(-c2nc3ccccc3c(=O)n2-c2cccc(C)c2)s1 8715548 NWBKDSGGJBLKIM-UHFFFAOYSA-N 424.529 5.526 0 40 HKAB CCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1 8961279 UETCRNQPFDJFHV-UHFFFAOYSA-N 422.506 5.106 0 40 HKAB Cc1c(Cl)c(CSc2nnc(-c3ccccc3Cl)n2N)nc2ccccc12 9874553 OJTGMVFWQVQQHM-UHFFFAOYSA-N 416.337 5.115 0 40 HKAB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc2c(c1)CC(C)(C)O2 10299077 CYVHYCISGQWPQA-UHFFFAOYSA-N 420.549 5.800 0 40 HKAB CCOc1ccc([C@H]2CCCN2C(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 12599081 PDJJACIDALHQHU-HSZRJFAPSA-N 401.510 5.126 0 40 HKAB Cc1cc2nc(-c3cc(NC(=O)c4ccc5c(c4)OCO5)cc(C)c3O)oc2cc1C 12856536 AXMOWDVCAUUTIN-UHFFFAOYSA-N 416.433 5.107 0 40 HKAB CC(C)c1noc(CN(C)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)n1 12921608 QHCTXZNZVBPMPR-UHFFFAOYSA-N 421.932 5.331 0 40 HKAB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1 13660997 FKQCWRYCVNCJRY-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 13684825 IRMPYQRWTRLHQP-UHFFFAOYSA-N 422.912 5.311 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccc(O)cc1)SC(c1ccccc1)=N2 15084939 OYCZPWNSISHVCK-JOCHJYFZSA-N 415.493 5.940 0 40 HKAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 15325288 ZNZPUKSEEJNHQT-SJORKVTESA-N 422.912 5.237 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2C)cc1OC 15649563 UGWBEQPDKKSAAT-UHFFFAOYSA-N 412.711 5.461 0 40 HKAB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(-c2ccccc2)cc1 17093461 AMKFHDZIDQAFCT-UHFFFAOYSA-N 423.295 7.277 0 40 HKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)Cc3cccc(F)c3)c2)cc1 19691328 SPCDWJGVBLSIGL-DEOSSOPVSA-N 404.485 5.111 0 40 HKAB Cc1cccc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1C 20411310 PMIXYYJLPIMBSD-UHFFFAOYSA-N 414.505 6.253 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5)o4)ccc3o2)c1 21579375 ZHRGRZJCJLGLPY-UHFFFAOYSA-N 410.429 6.016 0 40 HKAB NC(=O)Nc1ccc(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 25884623 MKJBZXJHFFYZRZ-UHFFFAOYSA-N 415.371 5.241 0 40 HKAB CCc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCCCC2)cc1 28291851 LUZOUNAIIMSCRN-VWLOTQADSA-N 408.586 5.095 0 40 HKAB Cn1c(SCc2csc(Cc3ccc(Cl)cc3)n2)nnc1-c1ccco1 32320671 DUBHDTBFNRQPJM-UHFFFAOYSA-N 402.932 5.068 0 40 HKAB Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc(F)c(F)c3)n2)cc1 32578866 WMDQVUGSKPCESD-UHFFFAOYSA-N 421.403 5.155 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 40058703 VZNQHFOSYNWZPM-QGZVFWFLSA-N 406.507 5.031 0 40 HKAB COc1ccc(C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2F)cc1 40485743 IYACLPZPRVUCEA-QFIPXVFZSA-N 423.871 5.541 0 40 HKAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 44948225 QVCKEPJOGJHERB-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1nnc(SCc2c(C(=O)NC3CCCCCCC3)oc3ccccc23)s1 63451226 CWWYKUDFEJBVCC-UHFFFAOYSA-N 415.584 5.728 0 40 HKAB CC(C)c1ccc(NC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)cc1 64472726 BLXUQKFJURRGCU-UHFFFAOYSA-N 420.965 7.235 0 40 HKAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2cccc(C)c2)nc1 67295143 BNMZWGYDUCMFMH-RWEWTDSWSA-N 403.869 5.583 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72230056 UODNRJOJLHDRIW-QFIPXVFZSA-N 416.304 5.401 0 40 HKAB COc1ccc([C@H]2OC[C@@]3(COC(=O)Nc4ccccc4)[C@@H](C)[C@H]2C(C)=C[C@H]3C)cc1 100549691 OGCHLIHOPGTPPY-WMHQXEDJSA-N 421.537 5.850 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 219391133 WFCXWDMSRPUEAV-SFHVURJKSA-N 415.946 5.228 0 40 HKAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccc(Cl)c(C)c1 224208236 FYKRXGJOOOSWPG-UHFFFAOYSA-N 409.913 5.508 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccc(C)c(C)c1 224627456 KNUYQYHTUGEOAJ-IBGZPJMESA-N 421.512 5.911 0 40 HKAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](CC)C(=O)NC1CCCCC1 225246830 VVAJRIMYCWDXNL-IBGZPJMESA-N 413.389 5.350 0 40 HKAB Cc1ccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 225533814 HTQNNDRHQZCICY-UHFFFAOYSA-N 414.933 5.853 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)c1snnc1-c1ccc(Cl)cc1 225771889 WIXBQIQUKTXLTM-UHFFFAOYSA-N 407.882 5.903 0 40 HKAB CCOc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cc1 253528862 SDDXAJAVPWQDGV-UIBSFBHYSA-N 408.626 6.872 0 40 HKAB CCCCn1nc(-c2cc(CC(=O)O)ccc2OCCC)cc1-c1cccc(F)c1 257217909 DBBVTGFBYUQPCJ-UHFFFAOYSA-N 410.489 5.572 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccccc2C)c1 408697185 FSYJBKLAEXITFB-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(F)cc2)cc1C 408697637 IWBHDJWEQOLYAL-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(Sc2ccc(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)o2)cc1 408855162 CVQCPZHSJIDXCB-NDENLUEZSA-N 418.543 5.126 0 40 HKAB Oc1nc(-c2ccc(OCc3ccc(F)cc3)cc2)nc2sc3c(c12)CCCCC3 408992901 UXSAZWVMOVWHFL-UHFFFAOYSA-N 420.509 6.051 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@H](c1ccccc1C(F)(F)F)N2 408996815 NEWGNOKRFFDPQQ-NYVOZVTQSA-N 409.407 5.875 0 40 HKAB CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(OCC)c1 409056855 OPLPSDDNVKRCEQ-WQRHYEAKSA-N 403.887 5.378 0 40 HKAB COc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)ccc1OCc1ccccc1 409110405 VUWLYDMOFSPEFL-HAHDFKILSA-N 413.517 5.817 0 40 HKAB Cc1cccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c1C 409118576 RKCRBJRZWJWHOE-UHFFFAOYSA-N 401.937 7.301 0 40 HKAB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccc(C(C)(C)C)cc3)n2C)cc1 409206615 YKGTUAXHTDPCKT-BZZOAKBMSA-N 408.567 5.499 0 40 HKAB Cc1cccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C 409249488 UIVLURHATVLNQC-FYJGNVAPSA-N 422.937 5.984 0 40 HKAB C[C@H]1CC[C@@]2(NC1)O[C@@H]1C[C@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C 584566806 KWVISVAMQJWJSZ-DWJZITEYSA-N 413.646 5.287 0 40 HKAB CC(=O)N1CC2=Nc3cccc4[nH]cc(c34)[C@H](c3ccc(Cl)cc3Cl)C2=C1O 1547208928 JPRPXLOFCWWDNP-SFHVURJKSA-N 412.276 5.324 0 40 HKAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 2037845900 HDQYHKVJMHMOER-KRWDZBQOSA-N 421.447 5.045 0 40 HKAB O=C(CSc1ncnc2scc(-c3ccc(F)cc3)c12)N1CCc2ccccc21 882449 ZRKSPDMGKIKSDG-UHFFFAOYSA-N 421.522 5.179 0 40 HKAB COc1ccc(-c2ccc(-c3nnc(-c4cc(OC)c(OC)c(OC)c4)o3)cc2)cc1 907865 CKUFYLAOIMCJPV-UHFFFAOYSA-N 418.449 5.105 0 40 HKAB COc1ccc2nc(Cl)c(CN(C(=O)C3CCC3)C3CCC(C)CC3)cc2c1 1339501 CDXYEBWSLJJFMD-UHFFFAOYSA-N 400.950 5.604 0 40 HKAB Cc1ccc2sc(-c3ccc(NC(=O)[C@H](C)Oc4ccc(Cl)cc4)cc3)nc2c1 1771587 ZBLMJTRXLGNMTO-HNNXBMFYSA-N 422.937 6.331 0 40 HKAB CCCCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 1774632 NZVDUTAILINWNB-QGZVFWFLSA-N 410.466 5.313 0 40 HKAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccc(-c2ccccc2)cc1 2083021 GAQHUWSQBCJJPK-UHFFFAOYSA-N 417.559 5.578 0 40 HKAB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)C(Cl)(Cl)Cl 2320042 REBIZMWXTHIRLP-UHFFFAOYSA-N 411.716 6.235 0 40 HKAB Cc1ccc(COc2ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc3c2)cc1 2408182 JEVYLDSVTWNJNX-UHFFFAOYSA-N 410.391 6.366 0 40 HKAB biogenic Cc1nc2c(ccc3nc(NC(=O)c4ccc(Br)s4)sc32)s1 2475031 WSJMUASLHUMORZ-UHFFFAOYSA-N 410.343 5.291 0 40 HKAB Cc1cccc(N2CCN(C(=O)c3sc4cc(F)ccc4c3Cl)CC2)c1C 2653906 KCPWNGRKNNRYMD-UHFFFAOYSA-N 402.922 5.273 0 40 HKAB Cc1c(-c2ccc(F)cc2)nn(-c2cc(Cl)ccc2Cl)c1-c1ccc(F)cc1 2733308 NHRAXHGFECPBQQ-UHFFFAOYSA-N 415.270 7.100 0 40 HKAB COc1ccc(Cn2c(SCc3ccccc3C)nc3ccsc3c2=O)cc1 2908644 CZTJYDXOHAXBRM-UHFFFAOYSA-N 408.548 5.116 0 40 HKAB CCc1cccc(CC)c1NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1 3216374 ZKXYJVSGMNYUAC-UHFFFAOYSA-N 415.533 5.515 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc(Cl)cc1)CC2 3224763 TXPRRTYDPJYQEY-NRFANRHFSA-N 413.926 5.207 0 40 HKAB Clc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1c1ccccc1 4199452 OVWFORXRFZTXCE-NRFANRHFSA-N 411.730 6.458 0 40 HKAB CCc1ccc(NC2=C[C@H](c3cccc(F)c3)N(c3ccc(CC)cc3)C2=O)cc1 4628767 GIDHYGJUWAHQPM-RUZDIDTESA-N 400.497 6.034 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccc(Cl)cc2)on1 4880525 MOUUBPGJKUEDOF-UHFFFAOYSA-N 401.171 5.920 0 40 HKAB O=C(Cc1ccccc1)NCCc1nc2ccccc2n1Cc1cccc2ccccc12 5235875 DOGHFXCMIZSAHZ-UHFFFAOYSA-N 419.528 5.139 0 40 HKAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)c1nnc(-c2cccs2)o1 5456746 IHEWBTWUAHCPAX-ZDUSSCGKSA-N 405.479 5.143 0 40 HKAB CCc1nc(SCC(=O)N2CCCc3ccccc32)c2oc3ccccc3c2n1 5477767 DONFASZEPYXVMK-UHFFFAOYSA-N 403.507 5.010 0 40 HKAB CCCC[C@@H](c1nc2c(c3c1CCCC3)CCCC2)C(O)(C(F)(F)F)C(F)(F)F 5499243 PKDWBENDGQEAMH-INIZCTEOSA-N 423.441 5.969 0 40 HKAB CCCCOc1ccc(C2=NNC(c3cccs3)=Nc3ccc(OCC)cc32)cc1 5894999 QCAAFAPCLOWYHV-UHFFFAOYSA-N 419.550 5.760 0 40 HKAB CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc4c(c3)CCC4)cc12 5976743 WYGZDKPKUBZRPY-UHFFFAOYSA-N 412.537 5.112 0 40 HKAB Cc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)C3CCCCC3)cc2c1 6234320 GQXFGBPJYCRCFG-UHFFFAOYSA-N 412.986 6.367 0 40 HKAB CCc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)S1 6570503 KUXRZEBFASVOSZ-MOSHPQCFSA-N 408.910 6.245 0 40 HKAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(Cl)c(Cl)c1 6752971 NBQJZVACLFUVKM-HXUWFJFHSA-N 416.308 5.434 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](SC(=S)N(CC)CC)c1ccccc1 7059073 AKEKONMGIBZQIT-IBGZPJMESA-N 402.585 5.125 0 40 HKAB CCCCCCNCc1cc(Br)ccc1OCc1ccccc1Cl 7260998 JNRNAIZTUNHIJF-UHFFFAOYSA-N 410.783 6.351 0 40 HKAB COc1ccc2cc([C@H](C)C(=O)N(C)Cc3ccccc3N3CCCC3)ccc2c1 8193750 LUWRTWOCCASGHW-IBGZPJMESA-N 402.538 5.211 0 40 HKAB COc1cc([C@@H]2N=C(SCC(C)C)NC(C)=C2C(=O)Nc2ccccc2)ccc1C 8320068 BWCYMLJIUVPKDS-QFIPXVFZSA-N 423.582 5.306 0 40 HKAB O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1cc(Cl)ccc1Cl 9275146 QKEMTQVTUSPPOO-UHFFFAOYSA-N 413.058 5.058 0 40 HKAB O=C(NCc1ccccc1)c1cccc(OCc2csc(-c3ccsc3)n2)c1 9366061 ZNLHQHPPASDTIN-UHFFFAOYSA-N 406.532 5.381 0 40 HKAB CCCN(C(=O)c1cccc(F)c1)c1nc(-c2ccc(Br)cc2)cs1 9606427 GMMHUNXRPDMADG-UHFFFAOYSA-N 419.319 5.769 0 40 HKAB CC(C)c1ccc(Nc2nnc(SCC(=O)Nc3cccnc3Cl)s2)cc1 9616696 UNOSDNIMUMGEAQ-UHFFFAOYSA-N 419.963 5.184 0 40 HKAB O=C(Nc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1)c1ccco1 10870169 JRPXDFBPPNNRHE-UHFFFAOYSA-N 410.429 5.408 0 40 HKAB O=C(Cc1csc(SCC(=O)c2cccs2)n1)Nc1cccc(Cl)c1 11694980 PVNPFAVHILEMDL-UHFFFAOYSA-N 408.957 5.014 0 40 HKAB O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1cc(Cl)ccc1Cl 12177564 XBOUYLWQIVAAMB-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 12377782 PCPMFNMAKCRLIP-UHFFFAOYSA-N 404.941 6.749 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN[C@@H](C)c4ccccc4C)[nH]c(=O)c23)cc1 12798010 QGXOHIROXSGYHI-INIZCTEOSA-N 403.551 5.428 0 40 HKAB C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1cc2ccccc2o1 13120758 BFOIKETXYBLEIZ-ZDUSSCGKSA-N 424.551 5.057 0 40 HKAB O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 13303740 YPHMEKSGVWTWTE-NSBIUJCASA-N 406.869 5.963 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)c3ccccc3OCc3ccccc3)ccc21 13687427 VMIRGRIDOYBHMZ-UHFFFAOYSA-N 420.512 6.646 0 40 HKAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c1 13710549 OFBMKLKZMFAFEJ-HNNXBMFYSA-N 412.382 5.427 0 40 HKAB O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CCC[C@H]2CCCC[C@@H]21 14181020 HPLWIVHROGPNPO-CTNGQTDRSA-N 410.583 5.047 0 40 HKAB Cc1cc(OCc2ccc(F)cc2Cl)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 15227851 PMNXTHKNBVDKMD-UHFFFAOYSA-N 422.883 6.372 0 40 HKAB CC(C)(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 15421259 ZVBALFJUZYPEGM-UHFFFAOYSA-N 414.552 5.099 0 40 HKAB Cc1ccc(C)c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 17094197 IIQNYWXVVQDMBA-PKNBQFBNSA-N 424.953 6.052 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(CSc2ccccc2)cc1 20238843 WNAHNBXSGZXBTG-UHFFFAOYSA-N 421.871 6.903 0 40 HKAB C[C@H]1CC[C@H](C)[C@H](NC(=O)Nc2cccc(NC(=O)N[C@H]3C[C@H](C)CC[C@H]3C)c2)C1 20569684 IGGGFPGDTBGUDH-YIVVYQTISA-N 414.594 5.579 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 21576321 WHOVHQOSDVMRAY-UHFFFAOYSA-N 416.855 6.121 0 40 HKAB Cc1cc2oc(=O)cc(CNc3ccc(C(=O)N4CCCC4)cc3)c2cc1C(C)C 26782053 KMHFISKPZCCDLZ-UHFFFAOYSA-N 404.510 5.073 0 40 HKAB COc1ccc(-c2nc(-c3cccn3CC(=O)O)sc2-c2ccc(OC)cc2)cc1 31415506 KJSPVPWIMGZXOF-UHFFFAOYSA-N 420.490 5.047 0 40 HKAB Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(NC(=O)c3ccccc3)s2)cc1 35681837 ZLUKXYHACXPTCL-UHFFFAOYSA-N 413.502 5.623 0 40 HKAB O=C1[C@@H](c2ccccc2)[C@@H](c2cccs2)N[C@H](c2cccs2)[C@H]1c1ccccc1 35941692 UCZYTGZNLXWZAW-UEQSERJNSA-N 415.583 6.332 0 40 HKAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)NC[C@@H](C)c1ccccc1 40145043 JBJMEXVQLQGETJ-OAHLLOKOSA-N 412.942 5.496 0 40 HKAB CCN(C(=O)Cc1ccc(NC(=O)CCCc2cccs2)cc1)c1ccccc1 40150718 MTBRXUYAVYRETK-UHFFFAOYSA-N 406.551 5.305 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)N(Cc1ccsc1)CC(F)(F)F 44447794 QJYRWEHEHAVLHJ-UHFFFAOYSA-N 404.457 5.612 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2Nc2ccccc2)cc1 72214176 IGTZIYASLZNHCW-JOCHJYFZSA-N 407.539 5.050 0 40 HKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OCC(=O)O[C@H](c1ccccc1)[C@H](C)c1ccccc1 86053378 YPMQXOFDCXSPCT-ITMLTHPUSA-N 408.582 6.552 0 40 HKAB FC(F)(F)SC[C@H](Cc1ccccc1)NCc1cccc(Br)c1 95918376 QNTKCECBJIWKHD-INIZCTEOSA-N 404.295 5.403 0 40 HKAB CC(C)Cc1ccc([C@@H](C)c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193853 VIMCYXUTLHAYLQ-OAHLLOKOSA-N 402.523 5.949 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc(N2CCCC2=O)c1 219211144 FFQXJEBQPSVJCN-UHFFFAOYSA-N 414.549 5.534 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)CCc1cccc2ccccc12)c1ccccc1 222666006 SJZLKVFXAQDYSS-FQEVSTJZSA-N 422.528 5.902 0 40 HKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2C)o1 222895116 LNNMRQZUBUZCMF-LEWJYISDSA-N 411.958 5.686 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1Cc1ccccc1 223399021 YYKXLOWYOBDFQN-ZEQRLZLVSA-N 411.530 5.514 0 40 HKAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccc(Cl)cc1 224160697 ALIORTBRKJYZSS-UHFFFAOYSA-N 424.884 5.138 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 224214662 UZDYNFOCDDCMID-ZEQRLZLVSA-N 411.530 5.827 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1cc(C)cc(C)c1 224529628 PTSCWYCXECLGDI-UHFFFAOYSA-N 403.522 5.520 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1cc(C)cc(C)c1 224533654 XBTGBIXICMECGJ-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB CCC[C@H](C)NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224946380 HZAZNKUODYUOCG-AWEZNQCLSA-N 413.315 5.690 0 40 HKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)ccc1OC(C)C 225529788 GMLUWSVGPMQXPS-UHFFFAOYSA-N 406.353 6.540 0 40 HKAB COc1ccc(SCCCNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 225803221 RHVMBEQOWUNAOF-UHFFFAOYSA-N 400.491 5.183 0 40 HKAB CCOC(=O)c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 226340551 AAHGVNHNWPGBFH-UHFFFAOYSA-N 419.702 6.011 0 40 HKAB Cc1c(Cl)cccc1NCc1cc(Br)c(O)c(Br)c1 235730688 OLXGQLYPSBXMJU-UHFFFAOYSA-N 405.517 5.491 0 40 HKAB Cc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@@H](C)[C@H]4C)ccc32)c1-c1ccc(Cl)cc1 253563488 FMEXSMHYIDVGJE-STXHMFSFSA-N 420.944 5.670 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1C(=O)NC1CCCCC1 408552908 SFGRIPYECGJALH-UHFFFAOYSA-N 422.550 5.012 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(CSc2ccccc2)cc1 408565235 IZRARMLAJHAUCS-UHFFFAOYSA-N 409.554 6.498 0 40 HKAB COc1cc(C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc(OC)c1OC 408567218 QJWZJAAPVYJHKB-UHFFFAOYSA-N 423.534 5.565 0 40 HKAB O=C(O)c1cccc(NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c1 408613851 WNFILNRRGBRFIP-UHFFFAOYSA-N 402.277 5.883 0 40 HKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)cc1 408644833 RXWJIWNYYSXBOD-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB Cc1cccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc23)c1C 409119845 RDCPOHJIKOKZOM-UHFFFAOYSA-N 401.937 7.301 0 40 HKAB c1ccc2c(c1)C[C@H]1OC(C3(C4=N[C@H]5c6ccccc6C[C@H]5O4)CCCCCC3)=N[C@@H]21 1942107622 GEDBYJPWMQLKNP-LWSSLDFYSA-N 412.533 5.516 0 40 HKAB Cc1ccc(Nc2nnc(-c3cc4cc(Br)ccc4oc3=O)s2)cc1 856276 VWXFUHNGDHAAOI-UHFFFAOYSA-N 414.284 5.126 0 40 HKAB CCc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(Br)ccc4n3)o2)cc1 934737 MLKPEQBQBCOJOK-UHFFFAOYSA-N 422.278 6.185 0 40 HKAB COc1ccc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1 971767 MHTFASZZAVTSKN-UHFFFAOYSA-N 422.531 5.287 0 40 HKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccc(Br)c1 1084482 SYNCNTGYXYXTRP-UHFFFAOYSA-N 402.675 6.147 0 40 HKAB Cc1ccc(NC(=S)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCC2)cc1 1224232 UILKMCCWJMCZEK-UHFFFAOYSA-N 405.567 5.287 0 40 HKAB CC(C)CN(CC(C)C)c1nc(-c2ccc(Cl)cc2Cl)nc2ccccc12 1773049 LJAMLTILZCUEJL-UHFFFAOYSA-N 402.369 6.722 0 40 HKAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)C(c1ccccc1)c1ccccc1 2052187 AUFNWEJUVJNGJU-UHFFFAOYSA-N 415.345 5.639 0 40 HKAB COc1ccccc1NC(=O)C[C@H](c1ccc(C)cc1)c1ccc(OC(C)C)cc1 2246656 KXUHDSPORWBIOU-HSZRJFAPSA-N 403.522 5.952 0 40 HKAB O=C(Oc1ccc(Br)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 2304134 PVDCXHNRYDEBPV-UHFFFAOYSA-N 421.250 5.385 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc(C(=O)c2ccccc2)cc1 3211072 KGVGOIHDZKAMTR-UHFFFAOYSA-N 424.934 6.008 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 3229334 VIZHBSJYOOAJFT-UHFFFAOYSA-N 411.596 5.733 0 40 HKAB O=C(CCC(=O)c1cccs1)OCC(=O)N1c2ccccc2Sc2ccccc21 3233231 WQBAGQGXKSFCLS-UHFFFAOYSA-N 423.515 5.084 0 40 HKAB Clc1ccc(-c2c[n+](-c3ccc(Br)cc3)c3n2CCCS3)cc1 3251682 LCTKRLOISAWXRQ-UHFFFAOYSA-N 406.756 5.344 0 40 HKAB Cc1ccc(OCCSc2nnc(Cc3cccs3)n2C2CCCCC2)cc1 3304443 WYZGVHAFVNQGJH-UHFFFAOYSA-N 413.612 5.915 0 40 HKAB C[C@H](OC(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(Cl)cc1Cl 3332430 BMJHAQFNLZAJNU-VIFPVBQESA-N 422.186 5.076 0 40 HKAB CCCCCC[C@@H](C)c1ccccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 3633225 ZMUKFOGGEIEQIC-OAHLLOKOSA-N 415.382 6.835 0 40 HKAB Cc1nc(SCc2ccccc2)nc2c1CCN2c1ccc(Br)cc1 4051458 BUDXIBKAHBSOHY-UHFFFAOYSA-N 412.356 5.534 0 40 HKAB CCCn1cc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc21 4060578 KZNNHYGAVGSMLT-UHFFFAOYSA-N 408.445 5.681 0 40 HKAB COc1ccc2nc(-c3ccccc3)nc(SCC(=O)OC3CCCCC3)c2c1 4161684 OEUUSGIIYOQHJE-UHFFFAOYSA-N 408.523 5.273 0 40 HKAB CCCn1c2ccccc2n2c(C(=O)CC)c(-c3ccc(-c4ccccc4)cc3)nc12 4663451 YLYRANDDDZCXCX-UHFFFAOYSA-N 407.517 6.626 0 40 HKAB Cc1nc(-c2ccc(Cl)cc2)n(-c2ccc(NC(=O)c3ccccn3)cc2)c1C 4704313 WEZQPKWPKAPGFR-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB COc1cccc2sc(N(Cc3cccnc3)C(=O)c3cccc(Cl)c3)nc12 5142110 WJKZMTPCCVSKHA-UHFFFAOYSA-N 409.898 5.200 0 40 HKAB COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2cc(C)ccc2C)cc1O 5156140 HBFSOQWZFRLBCQ-UHFFFAOYSA-N 400.478 5.654 0 40 HKAB c1ccc(-c2nnc(CSc3ncnc4sc(-c5ccccc5)cc34)o2)cc1 5212822 LUXPLXAGSYBDQW-UHFFFAOYSA-N 402.504 5.701 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1cccn(Cc2ccccc2Cl)c1=O 5269879 VKOLMHXFSXTEIT-UHFFFAOYSA-N 407.684 5.109 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc4ccccc34)c2C(N)=O)C1 5383724 IHLOMSBSGPSLLC-OAHLLOKOSA-N 406.551 5.404 0 40 HKAB COc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)cc1OC 5529526 JINFMNIJBGLYFR-IRXDYDNUSA-N 404.510 5.037 0 40 HKAB Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=Nc3ccccc3S2)cc1 5683693 PJFCYZSYGQQBGD-QFIPXVFZSA-N 408.364 7.115 0 40 HKAB CCCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(OCC)cc3)nc2c1 6240704 IJXZTQSLZAEHGL-UHFFFAOYSA-N 411.527 5.287 0 40 HKAB CCCN1C(=O)S/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O 6629593 OIKWISOZDWTYSP-UDWIEESQSA-N 410.926 5.789 0 40 HKAB COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1cccc(C)c1)oc1ccccc12 6886713 PZGWHNGFJSTBKD-HNNXBMFYSA-N 403.434 5.087 0 40 HKAB Cc1occc1-c1nnc(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)o1 7194212 BAQDVJVGAUOUMT-GOSISDBHSA-N 409.442 5.249 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)cc2)c1 7882066 IACGQHQLUNKTQD-CTNGQTDRSA-N 414.505 5.336 0 40 HKAB CC1CCN(c2ccc(NC(=O)CN(Cc3ccco3)Cc3cccs3)cc2)CC1 8162668 XJIRDTGDWIUSKI-UHFFFAOYSA-N 423.582 5.218 0 40 HKAB COc1ccc2c(c1)c(-c1csc(NC(=O)c3ccc(Cl)cc3)n1)c(C)n2C 8990690 XIHJYTRUDGAJIT-UHFFFAOYSA-N 411.914 5.525 0 40 HKAB Cc1ccccc1C(=O)Oc1ccc(/C=C2/N=C(c3cccc(Cl)c3)OC2=O)cc1 9553586 YODDBYIJSSXNFC-FYJGNVAPSA-N 417.848 5.212 0 40 HKAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 9605941 DDBUUHWXOVGMRL-UHFFFAOYSA-N 423.472 5.388 0 40 HKAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 9707722 WJLOAKSLGZWSDZ-UHFFFAOYSA-N 422.531 5.009 0 40 HKAB COc1cc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc(OC)c1 10511424 OHIKEMHMNYAOOI-UHFFFAOYSA-N 422.510 5.010 0 40 HKAB Cc1nc(SCC(=O)N2CC[C@H](C)Sc3ccccc32)n(CC(C)C)c1C 11305648 QRMDYLQZPYNMSE-HNNXBMFYSA-N 403.617 5.166 0 40 HKAB Cc1nc(COc2ccccc2/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)cs1 12617184 MHTHPJYKPNZPIU-VOTSOKGWSA-N 408.567 5.129 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1OC 12618620 CXCJGFZJTGOZMX-ONNFQVAWSA-N 417.549 5.824 0 40 HKAB Cc1nc(COc2cccc(/C=C/C(=O)N(C)[C@@H](C)c3ccc(F)cc3)c2)cs1 12754700 YSGAOEYLSLFSEN-MZTACXPWSA-N 410.514 5.402 0 40 HKAB CCCN(CC(=O)Nc1ccccc1C)Cc1nc(-c2ccccc2)c2ccccc2n1 12848299 DQJVAOZLBCZUDT-UHFFFAOYSA-N 424.548 5.456 0 40 HKAB O=C(/C=C/c1ccccc1Br)N1CCC[C@@H]1c1nc2ccccc2s1 12855464 QMIYUFGGSNSPKZ-FMQWLBJXSA-N 413.340 5.436 0 40 HKAB COc1ccccc1[C@H](C)NC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 12914075 DGQJFXBZULVETP-KRWDZBQOSA-N 413.477 5.212 0 40 HKAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 13710021 OWURQYCMMZASEA-CQSZACIVSA-N 414.288 5.630 0 40 HKAB O=S(=O)(N[C@H](Cc1ccccc1)c1ccccc1)c1c(Cl)cccc1Cl 14108454 SNESHGUZIMIGJS-LJQANCHMSA-N 406.334 5.256 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1cc2ccccc2c(Br)c1OC 17092429 XDDSOLVLRNZALS-UHFFFAOYSA-N 420.690 5.525 0 40 HKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccc(F)c4)cc3n2)cc1 17093326 JALWBWABHAOHCL-UHFFFAOYSA-N 422.891 5.808 0 40 HKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 20040296 IHQNEDUNGWKXKM-KRWDZBQOSA-N 409.913 6.662 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1Sc1ccccc1 20483584 YBMMDRUQGQJONR-QHCPKHFHSA-N 413.542 6.787 0 40 HKAB CCOc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc3n2)cc1 20610274 JZQICOOWPWLGJP-LHHJGKSTSA-N 418.884 5.125 0 40 HKAB Cc1ccc([C@@H](NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c2ccccc2)cc1 22517883 KUXDYOVTSDCGFH-CUNXSJBXSA-N 412.577 5.746 0 40 HKAB COc1ccc(NC(=O)c2sc(COc3ccc(C(C)(C)C)cc3)nc2C)cc1 27912646 JYDXFYOLNBZTBD-UHFFFAOYSA-N 410.539 5.589 0 40 HKAB COc1ccc(CC(=O)Nc2nc(-c3ccc(-c4ccc(C)cc4)s3)cs2)cc1 27913675 SHPNUERIJBWERE-UHFFFAOYSA-N 420.559 6.037 0 40 HKAB CCCCOc1cccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 28288017 QKNUITHESKBDTC-UHFFFAOYSA-N 414.958 5.615 0 40 HKAB O=C(CSCc1ccc(F)cc1)NCc1ccc(OCc2ccc(F)cc2)cc1 30861601 BKWKHDYNODWZAG-UHFFFAOYSA-N 413.489 5.093 0 40 HKAB O=C(CSc1nnc(-c2ccccn2)o1)N1c2ccccc2Sc2ccccc21 33412613 WJMOSRJVSVMKAZ-UHFFFAOYSA-N 418.503 5.053 0 40 HKAB C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC[C@H](O)C(C)C 33820671 SNOXQOOPUCMFPS-DEORFHHGSA-N 400.647 6.590 0 40 HKAB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S 35648741 VHLAUQSHFAWTLK-HNRFISLBSA-N 424.330 5.021 0 40 HKAB FC(F)c1cc(-c2ccc(Br)cc2)nc(NCCc2ccccc2)n1 36613906 FJNGZDJRFDFNRS-UHFFFAOYSA-N 404.258 5.498 0 40 HKAB CCCN1COc2ccc3c(=O)c(-c4ccc(F)cc4)c(C(F)(F)F)oc3c2C1 54313652 UOSFMAIYACXTPG-UHFFFAOYSA-N 407.363 5.180 0 40 HKAB biogenic COc1c(C)cccc1CN1CCC[C@H](c2noc3nc(C)cc(C(F)(F)F)c23)C1 57774456 XWIWNSJKYYQGFI-HNNXBMFYSA-N 419.447 5.247 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1ccccc1Cl 59418713 BGDAPEIECKMUJJ-CAZKKTPXSA-N 420.295 5.087 0 40 HKAB COc1cccc(Cn2c(SCc3c(F)cccc3F)nc3ccccc3c2=O)c1 67258794 FDLDIRTZNGYNCN-UHFFFAOYSA-N 424.472 5.024 0 40 HKAB COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3ccccc3c2=O)cc1 67258816 FTYVXOXFPFCEEB-UHFFFAOYSA-N 402.519 5.054 0 40 HKAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2OC)cc1 67259543 VJZLKNXZFUJCHE-UHFFFAOYSA-N 400.503 5.330 0 40 HKAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc1OC 67296909 BBMXUVMEVAFPPR-QPLCGJKRSA-N 414.461 5.243 0 40 HKAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ncc(-c2c(F)cccc2F)o1 72277174 ORPBBZXWLMYROY-NQIIRXRSSA-N 424.491 5.737 0 40 HKAB CCc1cc(=O)c2cc(NC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3Cl)ccc2[nH]1 95465578 YRCYWRARVHBICE-LSDHHAIUSA-N 401.293 5.140 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C 95818294 PRYIJAGAEJZDBO-BZYDGCPMSA-N 402.663 6.600 0 40 HKAB biogenic CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C3CCCC3)CC2)n1 100739091 QKLRLFDAZOISQQ-PUZFROQSSA-N 406.574 5.242 0 40 HKAB COc1ccc([C@H]2OC[C@@]3(COC(=O)Nc4ccccc4)[C@H](C)C=C(C)[C@H]2[C@H]3C)cc1 100741797 OGCHLIHOPGTPPY-XMWCPUMHSA-N 421.537 5.850 0 40 HKAB biogenic COc1cc(CNc2ccc(F)cc2)cc(Br)c1OCc1ccccc1 107038780 UHTWSYUTVDQBTQ-UHFFFAOYSA-N 416.290 5.788 0 40 HKAB Cc1cc(C)c2[nH]c(C)c(CC(=O)Nc3ccc(OCc4ccccc4F)cc3)c2c1 141535992 PTVIUQJKLSLZGH-UHFFFAOYSA-N 416.496 5.992 0 40 HKAB O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccc(F)cc1Cl 205683817 QIONUENWEUHTCQ-PJQLUOCWSA-N 416.688 6.022 0 40 HKAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)c1 223017013 CTZDQDDOAABVIS-QGZVFWFLSA-N 407.535 5.487 0 40 HKAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCOc3ccccc3C(C)(C)C)cc2)C1 223709755 ANFWONNYUWSTHB-FQEVSTJZSA-N 408.586 5.025 0 40 HKAB COc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccccc1C(C)C 224226401 NBLMCWPNKDGUEM-UHFFFAOYSA-N 407.554 6.018 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccc(C)c(C)c1 224289738 KTZSAZNKYWPZHB-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C 224461567 VRXWVVKBBDJMJM-SFTDATJTSA-N 410.974 5.350 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccs2)N1c1ccc(Br)cc1 224483676 BYNRODNPBYUQBM-IAGOWNOFSA-N 416.369 5.083 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1CSc1ccc(C)cc1 224659871 AEHQCXASSAIBPY-UHFFFAOYSA-N 405.563 5.924 0 40 HKAB Cc1ccc(SCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225286147 AGQIOAFJXIPCDC-UHFFFAOYSA-N 404.910 5.746 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)ccc1Oc1ccccc1 225328851 CKQXYJMBKBJDCH-UHFFFAOYSA-N 420.723 7.010 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ccccc34)CCCCC2)cc1 225760604 QTQIIEZRSNLORC-UHFFFAOYSA-N 401.550 6.776 0 40 HKAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H](C)c3ccccc3)CC2)n1 257240703 HUTFNZIQEOLAHD-KKLQWCBXSA-N 414.553 5.041 0 40 HKAB CCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(CC)c1-c1ccc(C)cc1 408561562 JRRXXLAXUVBOGK-GYHWCHFESA-N 414.958 5.510 0 40 HKAB CCOc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1C 408589292 ZZEABAFHMWTMAR-UHFFFAOYSA-N 413.109 5.171 0 40 HKAB CCOc1cc(CNc2ccc(Br)cc2C)cc(Br)c1O 408606222 HRYBIYMTAKMYNF-UHFFFAOYSA-N 415.125 5.236 0 40 HKAB O=C(O)c1cccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)c1 408607279 JPTQKRGFOJVOFD-UHFFFAOYSA-N 402.277 5.883 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 408698613 OPNZUCKJCKHZHR-UHFFFAOYSA-N 416.912 5.711 0 40 HKAB CCOc1cc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)cc(Cl)c1O 408808523 MIHJOPPMKKHYHQ-UHFFFAOYSA-N 424.329 5.169 0 40 HKAB CCOc1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)sc2CC(=O)O)cc1 408894034 IJAOWCQSCBFZGA-UHFFFAOYSA-N 423.321 5.886 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 408977511 WCNMOLBTKYAQBW-UHFFFAOYSA-N 415.496 6.525 0 40 HKAB CCCN(CCC)C(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408979212 QBGXOWIOZUKCRL-UHFFFAOYSA-N 421.591 6.349 0 40 HKAB CCC1=CSC2=NC(C)=C(C(=O)Nc3ccccc3)[C@@H](c3ccc(C)c(OC)c3)N12 408989019 JIISWQMNRWBREW-JOCHJYFZSA-N 419.550 5.627 0 40 HKAB Cc1cccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 409114838 JNJMZOIBROZBAD-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB O=C1NC(=O)/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccccc23)S1 409143645 DDOTXVFKLKFQBV-UNOMPAQXSA-N 412.898 5.088 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc4ccccc4c3)cc2)cc1 409178536 KVINAWGBZOJODN-UHFFFAOYSA-N 423.468 5.440 0 40 HKAB CC(=O)N1CCCCCCCN(C(=O)Cc2ccc(Cl)cc2)Cc2ccccc21 2037884761 NEDXYUBCSKHFQE-UHFFFAOYSA-N 412.961 5.228 0 40 HKAB Cn1c(=S)n(CCSc2nc3ccccc3n2C2CCCCC2)c2ccccc21 724490 BTVVOJSQMQLFFT-UHFFFAOYSA-N 422.623 6.356 0 40 HKAB CC1(C)CC(=O)c2cc3c(N)c(C(=O)Nc4ccc5ccccc5c4)sc3nc2C1 1297155 PKAWVTQLTHOORP-UHFFFAOYSA-N 415.518 5.439 0 40 HKAB CSc1nc(N)c2c3c(sc2n1)[C@@H](c1ccccc1)S[C@@H](c1ccccc1)C3 1825554 RVSPEKVTQIGLOB-SJLPKXTDSA-N 421.616 6.115 0 40 HKAB Fc1cccc(Nc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)c1 2049927 RFWGUHZKIJCTPT-UHFFFAOYSA-N 420.285 6.456 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)c2cccc(COc3ccc(C(C)C)cc3)c2)cc1 2107855 URBFXBKPGCBBSU-HXUWFJFHSA-N 401.550 7.155 0 40 HKAB Cc1ccc([C@@H](CC(=O)O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 2386984 QVNBKPSESKXKBL-HSZRJFAPSA-N 401.462 5.050 0 40 HKAB COc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2C)cc1F 2618556 OXGLEYHSSMHNOI-UHFFFAOYSA-N 406.486 5.078 0 40 HKAB Clc1ccc(-c2nnc(SCc3cccc(Cl)c3)n2C[C@@H]2CCCO2)cc1 2642812 WJOBNKNKVFIDDZ-SFHVURJKSA-N 420.365 5.723 0 40 HKAB COc1cccc(Cn2nc(-c3ccc(C)c(C)c3)c(C)c2-c2ccc(C)c(C)c2)c1 2733449 OBZOHOSRLAXEQY-UHFFFAOYSA-N 410.561 6.816 0 40 HKAB Cc1ccc(Oc2ccc(OCC(=O)Nc3nnc(-c4ccccc4)s3)cc2)cc1 3163936 DIGCAPZANYWGHP-UHFFFAOYSA-N 417.490 5.323 0 40 HKAB Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)s2)cc1Cl 3208988 NQNXFOVWWPIFKG-UHFFFAOYSA-N 419.333 6.176 0 40 HKAB O=c1oc2ccc(Cl)cc2cc1-c1csc(-c2nc(-c3ccccc3)cs2)n1 3218445 LDPMUQKTRWEXGM-UHFFFAOYSA-N 422.918 6.360 0 40 HKAB O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ncc(Cl)cc1Cl 3273536 BAFHURWDWJZOTB-UHFFFAOYSA-N 404.731 5.382 0 40 HKAB O=C(CCN1c2ccccc2Sc2ccccc21)OCc1c(F)cccc1Cl 3275426 WDVZMBAVPGESAS-UHFFFAOYSA-N 413.901 6.215 0 40 HKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3ccccc3Cc3ccccc3)cc12 3279023 OMIHYAKYJQNROP-UHFFFAOYSA-N 424.525 6.205 0 40 HKAB O=C(COC(=O)c1ccccc1Oc1ccccc1)c1ccccc1Br 3297065 DKYHJIGQURFTTJ-UHFFFAOYSA-N 411.251 5.281 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2ncnc3sccc23)c2ccccc2)c1 3353568 KOTATFQUAJTCBG-IBGZPJMESA-N 419.531 5.366 0 40 HKAB O=C(CCOc1cccc(Br)c1)Nc1ccc(OC(F)F)c(Cl)c1 3428852 ZOYUXHFKTTXOSL-UHFFFAOYSA-N 420.637 5.112 0 40 HKAB O=C(NCc1cccnc1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H](c1ccccc1)N2 4030209 HSJXOMZEPTVVQC-JNNPWNNUSA-N 409.533 5.308 0 40 HKAB Cc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)cc1 4059431 RSGUMRFHGJPQEB-HXUWFJFHSA-N 416.377 5.905 0 40 HKAB Cc1nc(-c2ccc(C(=O)Nc3ccc(-c4cc5ccccc5o4)cc3)cc2)cs1 4727993 MXRZHSFUXBCTKB-UHFFFAOYSA-N 410.498 6.784 0 40 HKAB CCN(CC)P12(Oc3ccccc3O1)O[C@H](c1ccccc1)O[C@H]2c1ccccc1 4772881 PRSHBXLJYQRYQW-DNQXCXABSA-N 423.449 6.457 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2CC2CCCCC2)CN1CCc1ccccc1 4911288 WLWIBZXLPISCOF-JOCHJYFZSA-N 401.554 5.175 0 40 HKAB Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c12 4941128 RDKCVAYBFRBQDD-UHFFFAOYSA-N 404.901 5.758 0 40 HKAB C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(Cl)cccc2Cl)o1 5047342 VFOHGJUSFZQIFJ-VIFPVBQESA-N 404.319 5.254 0 40 HKAB CCCN(C(=O)C1CCC(C)CC1)c1nc(-c2ccc(Br)cc2)cs1 6825290 NHMBHPMCEIZSIH-UHFFFAOYSA-N 421.404 6.142 0 40 HKAB Clc1ccccc1-c1nnc(SCc2cccc3ccccc23)n1C1CCCC1 6871913 YHCSYOHQTPXEQM-UHFFFAOYSA-N 419.981 7.159 0 40 HKAB Cc1cccc(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)c1 6967695 KHEGOAUHFBKNML-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB Cc1noc(C)c1CCC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 7542224 QARCUHLDJHOJFM-HXUWFJFHSA-N 421.928 5.307 0 40 HKAB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCc1ccccc1F 7755197 OLBYNJHTISCQHL-UHFFFAOYSA-N 404.441 5.093 0 40 HKAB O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)[C@H]1CCCN1C(=O)c1cccs1 8132758 JDBBARGYKYINBA-LJQANCHMSA-N 416.502 5.405 0 40 HKAB Cc1ccc(-c2nc(CN(C)CC(=O)Nc3ccccc3C(F)(F)F)cs2)cc1 8151884 IBHBZJWKQMKPJF-UHFFFAOYSA-N 419.472 5.208 0 40 HKAB Clc1ccc(COc2ccc(Br)cc2CNCc2ccccn2)cc1 8436754 QFBVHRVKDSYCAJ-UHFFFAOYSA-N 417.734 5.366 0 40 HKAB COc1ccc(CCNCc2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC 8493609 HYUWSYBCCZDABE-UHFFFAOYSA-N 411.929 5.269 0 40 HKAB COc1ccccc1C(=O)Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12 9414106 RRKCVRILGJBQOQ-UHFFFAOYSA-N 420.852 5.599 0 40 HKAB O=C1C[C@@H](c2ccco2)Cc2c1c(Nc1cccc(Cl)c1)nn2-c1ccccc1 10157230 VVVKNUVGYZUBMV-HNNXBMFYSA-N 403.869 5.775 0 40 HKAB Cc1cc(C(=O)Nc2ccccc2C(C)C)ccc1NS(=O)(=O)c1ccccc1 10370955 HFTSBPKNJKVKPF-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 13211233 DWWCMQRLIJGQRF-UHFFFAOYSA-N 409.898 5.739 0 40 HKAB Cc1ccc(CCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 13649833 XJSYIKCEIKNYTL-UHFFFAOYSA-N 409.982 6.303 0 40 HKAB Clc1cccc(-c2nnc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn23)c1 13758828 GHWMOQHUGRUFAX-UHFFFAOYSA-N 415.671 5.090 0 40 HKAB Nc1c(C(=O)c2ccc(Cl)cc2Cl)sc2[nH]c(=O)c(-c3cccs3)cc12 16430723 WMZURMAGJNMCHD-UHFFFAOYSA-N 421.330 5.438 0 40 HKAB C[C@@H]1S[C@@H](c2cccc(Br)c2)N(c2nc3ccccc3s2)C1=O 16608038 QAKDFWIWDWMESM-QFYYESIMSA-N 405.342 5.226 0 40 HKAB CCCC(=O)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19501396 MQCXVABYFFOWCS-OAQYLSRUSA-N 419.504 5.275 0 40 HKAB c1ccc(C(c2ccccc2)N2CCN(CCCCn3ccc4ccccc43)CC2)cc1 22035648 LMHLQJPFNQJKMD-UHFFFAOYSA-N 423.604 5.829 0 40 HKAB COc1cc(CNCCc2ccccc2F)ccc1OCc1c(F)cccc1Cl 22074739 CWJBFPGDQVAZSB-UHFFFAOYSA-N 417.883 5.538 0 40 HKAB Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cc1 22968996 ULDQAOFGOZMBOU-UHFFFAOYSA-N 421.497 5.107 0 40 HKAB Cc1ccccc1NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 28539299 UOYCRMCUBAJCGU-UHFFFAOYSA-N 415.496 6.525 0 40 HKAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)ccc1Cl 30753316 SJJVGJLJDPFYGQ-CQSZACIVSA-N 403.906 5.220 0 40 HKAB CCOc1cccc(CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 30851522 NQYTWINXDIFZGU-UHFFFAOYSA-N 411.954 5.961 0 40 HKAB CCOc1ccc(CN(C)Cc2c(-c3ccccc3)nc3ccccn23)cc1OC 32751343 DBYYNULRJIGCTN-UHFFFAOYSA-N 401.510 5.041 0 40 HKAB O=C(COc1ccccc1-c1noc(-c2cccc(Cl)c2)n1)Nc1ccccc1 33324938 HTFSAZSTDDVUIC-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB CCOc1c(Br)cc(CNc2ccc(OC)cc2)cc1Br 37216161 KVQRLCIPOCLKBK-UHFFFAOYSA-N 415.125 5.231 0 40 HKAB C[C@@H]1Cc2ccccc2N1c1nc2nccc(/C=C/C=C/c3ccccc3)c2c(=O)[nH]1 40388449 ZFARHPYRMFNCFT-YZEDCREBSA-N 406.489 5.127 0 40 HKAB COc1ccc(C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 40485521 RTEBUNUBLMFBLL-JOCHJYFZSA-N 407.416 5.026 0 40 HKAB Cc1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 44909474 CCNJZBKCIKRNHU-UHFFFAOYSA-N 419.396 5.263 0 40 HKAB CCCCOc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)no2)cc1 46086635 UPGBUJOKCCAVCV-UHFFFAOYSA-N 415.287 5.535 0 40 HKAB Cc1cc(Br)ccc1NC(=O)CNC(c1ccccc1)c1ccccc1 58160870 AMSHVNYNGQATCG-UHFFFAOYSA-N 409.327 5.075 0 40 HKAB Cc1cc(NC(=O)c2ccnc(Cl)c2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 58582604 CJXCMEHSAKVYDN-UHFFFAOYSA-N 415.202 5.154 0 40 HKAB Cc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)ccc1F 67294600 VYYORMHAXCWILB-VYIQYICTSA-N 406.844 6.018 0 40 HKAB COc1ccc2oc(/C=C/C(=O)Nc3ncc(Cc4cccc(Cl)c4)s3)cc2c1 67339569 WKXYRZJPPFMHEH-SOFGYWHQSA-N 424.909 5.794 0 40 HKAB Cc1cc(C)c2nc(-c3ccc(-c4ccc(Br)cc4Cl)o3)[nH]c2c1 85345367 VUPVGOLPGOHTGH-UHFFFAOYSA-N 401.691 6.523 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1ccnn1-c1ccc2ccc(-c3cccnc3)cn12 96037984 CQOTVSAHSAFBDY-UHFFFAOYSA-N 413.868 5.093 0 40 HKAB CC1CCN(c2ccc(C(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)cc2)CC1 141539496 BFOYALJUHGYBOC-OAQYLSRUSA-N 405.586 5.550 0 40 HKAB O=C(c1csc(-c2ccccc2)n1)N1CCS[C@H](c2cc(F)ccc2F)CC1 219308105 AEGZQERSLXDMKM-IBGZPJMESA-N 416.518 5.409 0 40 HKAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(C)C)cc2)c1 223932890 BAZQOVNGUBPEKR-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1cccc(Cl)c1 224142796 HYTNFOGZFZDPNF-UHFFFAOYSA-N 416.304 5.511 0 40 HKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1C 224178539 YSVUTIKYTOOFDR-LOSJGSFVSA-N 424.573 5.666 0 40 HKAB O=C(COc1ccc2c(c1)CCCC2)NCCSCc1ccc(Cl)cc1Cl 224344317 VKTUHOKMXYULAS-UHFFFAOYSA-N 424.393 5.301 0 40 HKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 224416161 IXKPPNPLAHQDEY-PKTZIBPZSA-N 414.509 5.189 0 40 HKAB CC(C)Sc1nnc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)s1 224460823 YPNKQXBQQHKYAK-FOWTUZBSSA-N 415.971 5.871 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccc(C)c(C)c1 224619340 JHDVEQWOWWVQPS-UHFFFAOYSA-N 403.522 6.150 0 40 HKAB Cc1cc(O[C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)cc(C)c1Cl 224827768 JQKYKMFRTAAWJS-LJQANCHMSA-N 414.977 5.026 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 225694001 XAVZVVXSQWMPPZ-IBGZPJMESA-N 408.542 5.151 0 40 HKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC2)cc1 225742016 GZEMPTMTWIKZDT-UHFFFAOYSA-N 418.622 5.357 0 40 HKAB O=C(NCc1cccnc1-c1cccs1)c1cc(Br)ccc1Cl 225760830 CXPUTGGYWSBXIL-UHFFFAOYSA-N 407.720 5.156 0 40 HKAB CC1=C(C)C[C@H](C(=O)N2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)CC1 257247130 IXQUSIGKEVPWAY-HSZRJFAPSA-N 406.545 5.654 0 40 HKAB Fc1ccccc1COc1ccccc1CNc1ccc(Br)c(Cl)c1 408559114 UIRVCMRFYHLDEA-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1cccc2ccccc12 408561700 KGZJNDFNCBCXCS-QPLCGJKRSA-N 400.547 6.056 0 40 HKAB COc1ccc(Oc2ccc(NC(=O)c3cc(Cl)c(OC)c(OC)c3)cc2)cc1 408621622 OWARQOVACJVMPN-UHFFFAOYSA-N 413.857 5.410 0 40 HKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccc(Cl)cc2)nc1-c1ccccc1 408696165 XCJSGBVWJKLIDT-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(F)cc2)cc1 408698478 QAGPAFYKQZEFQG-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB CCN(CC)C(=O)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408979673 NYGYPTIMIVASIU-UHFFFAOYSA-N 408.552 5.961 0 40 HKAB Cc1c(/C=C2\Sc3ccccc3NC2=O)c2ccccc2n1Cc1ccccc1F 409108800 WBAGBFNPKFUDSS-OYKKKHCWSA-N 414.505 6.222 0 40 HKAB COc1cccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1OC(C)C 409210620 FXGMDLHDORXCGF-LICLKQGHSA-N 403.887 5.377 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1C[C@@H](C(C)C)O[C@@H]2C(C)C 524734751 JZLCIEOXJDJGBL-DOTOQJQBSA-N 405.516 5.065 0 40 HKAB c1ccc(C(c2ccccc2)c2cccc(C3=N[C@@H]4c5ccccc5C[C@@H]4O3)n2)cc1 1988187873 QYBKALXGBXIHIG-AHKZPQOWSA-N 402.497 5.705 0 40 HKAB Cc1cccc(F)c1C(=O)N1CCC2(CC1)CN(c1ccccc1)c1ccccc12 2055738847 VPOZQMRMZQXZRM-UHFFFAOYSA-N 400.497 5.460 0 40 HKAB CC1=CC(C)(C)N(S(=O)(=O)c2ccc(Br)cc2)c2ccc(C)cc21 662997 MPZJUBUAYOZSPC-UHFFFAOYSA-N 406.345 5.148 0 40 HKAB CC(=O)Nc1ccc(-n2sc3c(c2=S)-c2cc(C)c(C)cc2NC3(C)C)cc1 680205 ACJWJWLSXRHZGU-UHFFFAOYSA-N 409.580 6.171 0 40 HKAB Cc1cc(-c2ccccc2)nc2oc3c(c12)NC(=O)CN(c1cccc(Cl)c1)C3=O 1036581 IKBBVZIRGBVJCZ-UHFFFAOYSA-N 417.852 5.056 0 40 HKAB O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc2c(c1)OCO2 1302357 YNEPSCIAIXPKHY-HXUWFJFHSA-N 404.853 5.060 0 40 HKAB CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(OC)cc1)Nc1ccccc1-2 2084376 OULZSNYRXSLCFI-FQEVSTJZSA-N 408.527 5.333 0 40 HKAB CCCCOc1ccc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)cc1 2254270 SGEPECADHJQYOL-UHFFFAOYSA-N 412.468 5.954 0 40 HKAB C/C(Cl)=C\CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCCC3 2316343 AQDZOEUIMFRDAO-GXDHUFHOSA-N 416.999 5.869 0 40 HKAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(Cl)c2)o1 2361037 PGEKREJAFLETQP-DOMZBBRYSA-N 411.955 5.627 0 40 HKAB CC(C)(C)c1ccc(C(=O)CCC(=O)OCC(=O)Nc2cccc3ccccc23)cc1 2617364 ZATAXCHNIVDNLV-UHFFFAOYSA-N 417.505 5.282 0 40 HKAB Clc1ccc(OCc2n[nH]c(SCc3csc(-c4ccccc4)n3)n2)cc1 2651126 MRNQBVQPNLVTLC-UHFFFAOYSA-N 414.943 5.453 0 40 HKAB CCN(C(=O)CSc1ncc(C(F)(F)F)cc1Cl)c1cccc2ccccc12 2653013 UCQXJGRLBVMCND-UHFFFAOYSA-N 424.875 6.052 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3ccc(Cl)cc3)cc12 3298086 OTYFUANLMLHKSB-UHFFFAOYSA-N 416.333 6.014 0 40 HKAB Cc1cc(NC(=O)CSc2cn(Cc3ccccc3Cl)c3ccccc23)no1 3582074 PRXCCPMKHHDNDG-UHFFFAOYSA-N 411.914 5.370 0 40 HKAB CCCCCCSc1nnc(-c2cnn(-c3ccccc3)c2-n2cccc2)n1C 4050353 TWNCXDMCQKESMR-UHFFFAOYSA-N 406.559 5.131 0 40 HKAB C[C@H]1Cc2ccccc2N1Cc1cc(=O)c(OCc2ccc(Cl)c(Cl)c2)co1 4304672 ORCXHHZIZZPIFS-AWEZNQCLSA-N 416.304 5.477 0 40 HKAB O=C(Nc1cccc(Br)c1)C1[C@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 4380152 YLNAXLXLRCUAOJ-RRIFHVCJSA-N 403.147 5.244 0 40 HKAB COc1ccc(C(=O)Nc2oc3c(C)cccc3c(=O)c2-c2ccc(OC)cc2)cc1 5482861 IEUHJVUAVXGLEE-UHFFFAOYSA-N 415.445 5.038 0 40 HKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)cc4)cc3n2)cc1 6168899 CXQNHPNCQPQBTJ-MDWZMJQESA-N 416.912 5.597 0 40 HKAB Fc1ccccc1COc1c(Cl)cc(CNc2cccc(Cl)c2)cc1Cl 6322924 QGBIQCVBYCBSMX-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB CSc1ccc(-c2cc(OC(=O)c3ccco3)c3c(C)oc(C)c3c(=O)c2)cc1 6624267 VFWSUYAWAVIKSG-UHFFFAOYSA-N 406.459 5.611 0 40 HKAB biogenic COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)ccc1OCC(C)C 6788870 FIXTTXVQJPRTGZ-HSZRJFAPSA-N 406.482 5.090 0 40 HKAB COc1ccc(NC(=O)[C@@H](N[C@@H]2CCCc3ccccc32)c2ccccc2)cc1Cl 6935581 YIFPLLFMGRIWKL-VWNXMTODSA-N 420.940 5.696 0 40 HKAB Cc1cc(-c2ccccc2)nc(SCC(=O)N[C@H](C)c2cc3ccccc3o2)n1 7625486 WQRSWACUOZMZGR-MRXNPFEDSA-N 403.507 5.168 0 40 HKAB Fc1ccc(-c2cc3ncnc(NC4CCN(Cc5ccccc5)CC4)c3s2)cc1 8071674 WTIFACPPPONTFN-UHFFFAOYSA-N 418.541 5.574 0 40 HKAB COc1ccc2c(-c3cccnc3)cc(SCCOc3ccc(F)cc3)nc2c1 8163357 GHOJRUOTNKGLIX-UHFFFAOYSA-N 406.482 5.616 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N(C)Cc4ccccc4)ncnc32)cc1 8412670 JCEYTOKCXLVXSL-UHFFFAOYSA-N 404.517 6.032 0 40 HKAB COc1ccccc1-c1c(-c2ccc(OCc3ccccc3C)cc2O)n[nH]c1C 8913862 XOMAIQZCNYNQNU-UHFFFAOYSA-N 400.478 5.654 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccco2)Cc2ccccc2F)ccc1Cl 9205040 TXUMWULXDVRZBR-INIZCTEOSA-N 401.865 5.377 0 40 HKAB O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1cccc(Oc2ccccc2)c1 9427938 MRVJSKWKVCRDBX-UHFFFAOYSA-N 411.461 5.660 0 40 HKAB Brc1ccc(C2=Nc3ccccc3S[C@@H]2c2nc3ccccc3[nH]2)cc1 9546482 ZYWQQMRIMUXCKZ-FQEVSTJZSA-N 420.335 6.293 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1sc2c(Cl)c(OC)ccc2c1Cl 9694750 LYKDGFNQUWAXKR-UHFFFAOYSA-N 416.713 6.131 0 40 HKAB CCOC(=O)c1cccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1C 10442187 BXCVEHAIXJOYFA-LTGZKZEYSA-N 419.908 6.004 0 40 HKAB Cc1oc(-c2ccccc2)nc1CSc1nc2ccccc2c(=O)n1CC(C)C 10545964 FOHNVXIRENEZGB-UHFFFAOYSA-N 405.523 5.308 0 40 HKAB CCCn1c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)nc2ccccc21 12546266 LFBSOHATIUAQCL-UHFFFAOYSA-N 412.518 5.975 0 40 HKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1C 12557847 VIBDARWMFNBTMS-HXUWFJFHSA-N 415.324 5.051 0 40 HKAB Cc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H](c3ccccc3)C=C[C@H]2c2ccccc2)cc1 13133245 NOCDKRIOXMJXFY-JBXUNAHCSA-N 411.501 5.388 0 40 HKAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 13709854 INUSCPWBGGHFOD-DUXBZUBYSA-N 409.957 6.214 0 40 HKAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c1 13710547 OFBMKLKZMFAFEJ-OAHLLOKOSA-N 412.382 5.427 0 40 HKAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccc(C)c(Cl)c2)cc1 15880480 PLQGSYBWUZEWIM-UHFFFAOYSA-N 421.880 6.331 0 40 HKAB biogenic CC(=O)Nc1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 16249255 YMWCENJWRSZUQU-UHFFFAOYSA-N 415.704 5.240 0 40 HKAB COc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)c3ccccc3n2)c(OC)c1 17082894 FCBASLNVAPOEMB-CALCHBBNSA-N 404.510 5.037 0 40 HKAB Cc1nn(Cn2nc(-c3ccc(F)cc3)c(C)c2-c2ccc(F)cc2)c(C)c1Cl 17089392 TTZCRVSLVIWAOE-UHFFFAOYSA-N 412.871 5.776 0 40 HKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20044409 WZZYHEUSZREZMX-KRWDZBQOSA-N 421.924 6.100 0 40 HKAB COc1ccc(CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC 20051016 WOYJRYFAFCFRBD-UHFFFAOYSA-N 423.896 5.160 0 40 HKAB CC(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccs4)ccc3o2)cc1 20411384 WPRWCKAIUYBAKE-UHFFFAOYSA-N 421.547 5.807 0 40 HKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(O)cc2)cc1 20970065 DTIPOWHKJOEDNK-DEOSSOPVSA-N 424.504 5.232 0 40 HKAB CN(C)[C@H](CNC(=O)c1ccccc1SCc1ccsc1)c1ccsc1 23133242 GHOXPHHJSCVQSQ-GOSISDBHSA-N 402.610 5.135 0 40 HKAB CSc1ncc(Cl)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 28580478 UMEQNMYRYLUXMD-UHFFFAOYSA-N 415.746 5.142 0 40 HKAB Clc1ccc(-c2nc(CSc3nc(/C=C/c4cccs4)n[nH]3)no2)cc1 29395838 MKQICRVSCBHPDZ-BQYQJAHWSA-N 401.904 5.032 0 40 HKAB Cc1cc(Br)cnc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 46085550 GFMMFHQUGBHQPP-UHFFFAOYSA-N 418.294 5.620 0 40 HKAB Cn1c([C@H](NC(=O)c2ccccc2C(F)(F)F)c2ccccc2)nc2ccccc21 58378280 BAJOMIMADXSQLP-HXUWFJFHSA-N 409.411 5.112 0 40 HKAB OC1=NC(=S)S/C1=C\c1cc(Cl)ccc1OCc1cccc2ccccc12 58821993 OJKLHYGDVNWCNQ-ODLFYWEKSA-N 411.935 6.401 0 40 HKAB Cc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2cc(Nc3nccs3)cc(C)n2)cc1 72372721 SSBYSAXAXMVTKU-NRFANRHFSA-N 420.582 5.540 0 40 HKAB Cc1cc(-n2cnnc2)cc2nc(-c3cccc4c(Br)cccc34)oc12 73639414 IKCQMOWLRQYEAY-UHFFFAOYSA-N 405.255 5.300 0 40 HKAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)c1c[nH]cc1-c1ccc(Cl)s1 84325680 BBSHZPOWHSJOCC-HNNXBMFYSA-N 402.951 5.156 0 40 HKAB Cn1ccnc1-c1sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2F)nc1-c1ccccc1 95348753 XCXGUKFPHZZQDX-SJORKVTESA-N 418.497 5.092 0 40 HKAB Cc1cccc(NC(=O)c2cc(-c3cn(-c4nccs4)c(C)n3)n3ccccc23)c1 96037938 HDHSRNFQHJUFFT-UHFFFAOYSA-N 413.506 5.118 0 40 HKAB C[C@]12CC3CC(NC(=O)c4cccc5c(Br)cccc45)(C1)C[C@](C)(C3)C2 101195897 HVQSPRHGCQIRRL-WBRDPVCSSA-N 412.371 6.081 0 40 HKAB Fc1cccc(Cl)c1[C@@H]1C=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn21 101232689 OJNQXUVFHNAVIT-NRFANRHFSA-N 402.860 5.794 0 40 HKAB CC1(C)CC2=Nc3ccc(C(=O)c4ccccc4)cc3N[C@@H](c3ccco3)C2=C(O)C1 102930461 IQRNIDLSUKZTDG-DEOSSOPVSA-N 412.489 6.382 0 40 HKAB c1ccc(C2=C(c3ccccc3)C(c3ccccc3)(c3ccccc3)c3ccccc32)cc1 104132501 AIYCGPFWOAQAMV-UHFFFAOYSA-N 420.555 7.994 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc(Cl)c1N1CCCC1 108240585 PUPLXUFTEHMEBZ-DHZHZOJOSA-N 420.365 5.120 0 40 HKAB CCCCCCCCCCCCCC[C@H](CCCCCCCCCCCC)C(=O)O 112989044 WTACYDSQHWXANE-MHZLTWQESA-N 424.754 10.089 0 40 HKAB CCCOc1ccccc1CCCNC(=O)CCCSc1ccc(Cl)cc1 222694407 WEFGWXCJGPZQCG-UHFFFAOYSA-N 405.991 5.750 0 40 HKAB CC1(C)C[C@H](NC(=O)CSCc2ccc(Cl)cc2Cl)c2ccccc2O1 222725559 VJOSQISOOBZZJG-KRWDZBQOSA-N 410.366 5.645 0 40 HKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(CC)cc1 223647262 XLDVILAGBKVLLI-RUZDIDTESA-N 422.613 5.214 0 40 HKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 224444651 QEIWMJKZLPVWHB-DHIUTWEWSA-N 415.493 5.658 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(OCCN3CCCCCC3)cc2)CCC[C@@H](C)C1 225663422 XZMQUOUHDWTXES-PXDATVDWSA-N 416.606 5.255 0 40 HKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)C(C)C 225760709 ZQAKMTQMGPZJBE-QGZVFWFLSA-N 400.897 6.351 0 40 HKAB COc1cccc2[nH]c(C(=O)N3CCCC[C@@H]3c3ncc(Cc4ccccc4)o3)cc12 257230993 GETBHKAIBGWDCX-JOCHJYFZSA-N 415.493 5.123 0 40 HKAB COc1cc(C)ccc1CN1CCC(c2ccc(Cc3cccc(Cl)c3)cn2)CC1 257337533 YTEKIOBUZCPBQY-UHFFFAOYSA-N 420.984 6.022 0 40 HKAB Fc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408572435 GZVFEFVVINRSCH-UHFFFAOYSA-N 420.336 6.177 0 40 HKAB COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1NC(=O)C(C)C 408572584 KPHTZVHBRXOEDO-SDNWHVSQSA-N 404.466 5.202 0 40 HKAB COc1ccc(CN(C)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=S)cc1 408718695 XZJIZDBCJYJFPL-UHFFFAOYSA-N 416.550 5.168 0 40 HKAB COc1ccccc1/C=C1\S[C](Nc2ccccc2)N([C@H]2CCCC[C@@H]2C)C1=O 408803560 QNPWAGRBPLSHRU-DQJFTVIJSA-N 407.559 5.749 0 40 HKAB CCOC(=O)c1c(NC(=O)C(F)(F)F)oc(-c2ccccc2)c1-c1ccccc1 409112794 BZMMSKNYAPXFFR-UHFFFAOYSA-N 403.356 5.291 0 40 HKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1 409272209 PKFWCAQXIRLSSF-UHFFFAOYSA-N 404.510 5.250 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1 409371368 WEBHFDJHMSIXHP-JOCHJYFZSA-N 420.534 5.342 0 40 HKAB CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 409383781 GXMQCBRLLYCXPK-UHFFFAOYSA-N 422.550 5.227 0 40 HKAB Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)Cc1cccc2ccccc12 585151082 LFWXQVMWNHKZDF-UHFFFAOYSA-N 409.514 6.001 0 40 HKAB COc1ccc(-c2ccc3c(N)c(C(=O)N[C@@H](C)c4ccccc4)sc3n2)cc1 661577 AGWADSCZVJUURE-AWEZNQCLSA-N 403.507 5.045 0 40 HKAB COc1ccc([C@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)Nc2ccccc2)cc1 720882 NOEUDAKVVNDGJH-HSZRJFAPSA-N 410.477 5.081 0 40 HKAB C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1 840477 PGSQIZMQCWKPQP-XFYPZNOGSA-N 407.435 6.187 0 40 HKAB CC(=O)c1nn(-c2ccc(Br)cc2)cc1C(=O)c1ccc2ccccc2c1 988021 COUJWIWNKMOMQL-UHFFFAOYSA-N 419.278 5.222 0 40 HKAB COc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3cccc(OC)c3)c2)cc1 1322957 JNRJGBZKHFPNNE-SLEBQGDGSA-N 415.489 5.975 0 40 HKAB O=C(CSc1nc(Cc2ccccc2)nc2ccccc12)Nc1ccccc1Cl 1342629 ZUULNIGEXQCVFZ-UHFFFAOYSA-N 419.937 5.605 0 40 HKAB CCCCOc1ccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1 1777261 IGJZLRFNPXNNDL-UHFFFAOYSA-N 409.942 6.934 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Br)cc1 2030886 ZJZUMZOFGCTXRF-UHFFFAOYSA-N 409.308 5.978 0 40 HKAB Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)c(C)c3)nc2c1 2053024 DCZKZKISZYCDPU-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB CCc1ccc(-c2cc(C(=O)NCCc3cccc(Cl)c3)c3ccccc3n2)cc1 2081529 QERHGPSDUNDTFZ-UHFFFAOYSA-N 414.936 6.090 0 40 HKAB CCOC(=O)c1ccc(-n2c(-c3ccc(C)cc3)nc3nc4ccccc4nc32)cc1 2221278 LXXZADWMIKWVMA-UHFFFAOYSA-N 408.461 5.121 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(N4C[C@H](C)C[C@@H](C)C4)ncnc32)cc1 2714684 IUXVSJBKGZUBPX-RTBURBONSA-N 412.537 5.578 0 40 HKAB Cc1ccc(Nc2nc(-c3ccc(I)cc3)cs2)cc1C 2831645 CUHUAZOLBRMODP-UHFFFAOYSA-N 406.292 5.775 0 40 HKAB Cc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccc(C)cc2)C[C@@H]3C(F)(F)F)cc1 3012815 LNTDTRMXXJKHCL-RTBURBONSA-N 414.431 5.413 0 40 HKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1 3221974 WVNLYCZKWUNROU-UHFFFAOYSA-N 400.856 6.417 0 40 HKAB COc1ccc(CC(=O)N(c2nc3ccccc3s2)c2cc(C)ccc2OC)cc1 3350036 JXINHKOGWZEVBV-UHFFFAOYSA-N 418.518 5.529 0 40 HKAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(-c2ccccc2)cc1 3432159 DEAOSZXONHTLIQ-QFIPXVFZSA-N 406.913 5.400 0 40 HKAB Cc1ccc2c(c1)c1c3n2CCN(c2nc(-c4ccc(F)cc4)cs2)[C@@H]3CCC1 3624185 NLJYFKCVFAXEHN-JOCHJYFZSA-N 403.526 6.110 0 40 HKAB O=c1c2ccccc2nc(/C=C/c2ccc(Br)cc2)n1-c1ccccc1 4091460 XVNHTLQFTDKLRI-NTCAYCPXSA-N 403.279 5.319 0 40 HKAB C[C@H](C(=O)Oc1ccc(O)c(C(C)(C)C)c1)c1cccc(C(=O)c2ccccc2)c1 4659260 XQOJZDPNKVFENF-KRWDZBQOSA-N 402.490 5.630 0 40 HKAB COc1ccc(CC(=O)Nc2cc(C(=O)Nc3ccccc3C)ccc2Cl)cc1 4666575 YKYYPOAMCKXUNY-UHFFFAOYSA-N 408.885 5.091 0 40 HKAB COc1ccc(-c2c[nH]nc2-c2ccc(OCc3cc(C)ccc3C)cc2O)cc1 5451415 PQEXQXTYIPUHEC-UHFFFAOYSA-N 400.478 5.654 0 40 HKAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)cc1 6479870 AOOBWDIBTYAAPD-UHFFFAOYSA-N 413.926 5.183 0 40 HKAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccc2c(c1)OCCO2 6495556 JVAZWVMTHAQNGN-UHFFFAOYSA-N 407.278 5.140 0 40 HKAB Cc1ccc(-n2c(SCc3ncc(Cl)n3C)nnc2-c2ccccc2)cc1C 6831328 HGQBXCLNJXQLAT-UHFFFAOYSA-N 409.946 5.230 0 40 HKAB O=C(c1ccccc1SCc1ccccc1)N1CCC(Cc2ccccc2)CC1 7684761 SONWOKIGINIDBB-UHFFFAOYSA-N 401.575 6.074 0 40 HKAB c1ccc(-c2nc(CSc3nnc(Cc4cccs4)n3C3CC3)cs2)cc1 7763902 UGSLTPDCBXHWMP-UHFFFAOYSA-N 410.593 5.681 0 40 HKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1c(F)cccc1Cl 8050314 GKLLUHMHSTWOMK-GOSISDBHSA-N 416.345 5.340 0 40 HKAB Cc1noc(C)c1C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCCCC1 8404207 PUZBLASTLFULLI-UHFFFAOYSA-N 423.538 5.207 0 40 HKAB COc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C(C)C 8480368 BWVUZOYVROUDKB-UHFFFAOYSA-N 408.734 5.580 0 40 HKAB O=C(CSc1nccn1-c1cccc(F)c1)N[C@H](c1ccccc1)c1cccs1 9643470 CBUNPTVKKMMGPJ-OAQYLSRUSA-N 423.538 5.071 0 40 HKAB COc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 10000487 ZUZNGLCMHNHCJL-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB CCOc1cc2c(cc1NC(=O)c1cc(Br)ccc1Cl)O[C@@H](C)C2 12974571 SRLPBVPSTQKQJY-JTQLQIEISA-N 410.695 5.077 0 40 HKAB CC(C)c1ccc([C@@H](NC(=O)C2CCN(C(=O)c3ccsc3)CC2)C(C)C)cc1 12978422 LHWABEWKQITTOE-QFIPXVFZSA-N 412.599 5.237 0 40 HKAB Clc1ccc(-n2c(SCc3nc4ccccc4o3)nnc2-c2ccccc2)cc1 13129264 WEAPRXGSZKXABC-UHFFFAOYSA-N 418.909 6.021 0 40 HKAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 13619033 UWDHZKWPSDALNS-YVLHZVERSA-N 418.663 6.251 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)COc1cccc2ccccc12)c1ccccc1 13684175 WIRBDGPKNRSXOJ-IBGZPJMESA-N 424.500 5.348 0 40 HKAB Cc1ccc(-c2cs/c(=N\C34CC5CC(CC(C5)C3)C4)n2-c2ccccc2)c(C)c1 13810312 ZGRQMIMDQFXINB-SGEDCAFJSA-N 414.618 6.692 0 40 HKAB CC(C)c1nn(CN(C)Cc2ccc(C(F)(F)F)cc2)c(=S)n1Cc1ccco1 14245599 UKIFLICFNRMGSQ-UHFFFAOYSA-N 424.492 5.287 0 40 HKAB Clc1ccc(COc2ccc3ccccc3c2CNCc2ccncc2)c(Cl)c1 16526015 ZERJEDRHXDPVRQ-UHFFFAOYSA-N 423.343 6.410 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(-c2ccc(CO)o2)c1 20144692 IRYNYJHKTXTQAR-GFCCVEGCSA-N 406.265 5.152 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2)N2CCOCC2)c1C 20193374 BSGMBMCNVBQUSR-JOCHJYFZSA-N 406.551 5.039 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(F)cc2)N2CCOCC2)c1C 20193422 OGEUBVDXRBSGKM-QFIPXVFZSA-N 424.541 5.178 0 40 HKAB c1ccc(-c2nn(-c3ccccc3)cc2CSc2nncn2Cc2ccco2)cc1 22193902 CJKPEBJNZODHOO-UHFFFAOYSA-N 413.506 5.064 0 40 HKAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc2C1)c1cc(Cl)ccc1Cl 22907115 DEWIUYFZXUENJX-FQEVSTJZSA-N 415.320 5.116 0 40 HKAB CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1nc2c(C)cccc2s1 23053523 PRHMWZVXXIJAEJ-UHFFFAOYSA-N 412.565 5.406 0 40 HKAB Cc1cc(C)c2nc(N(CCn3cccn3)C(=O)c3cc4ccccc4o3)sc2c1 23144841 FSTWSFSGQURCKS-UHFFFAOYSA-N 416.506 5.203 0 40 HKAB CCCCOc1cccc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)c1 27662491 ISLPUNOKVPIOTD-NRFANRHFSA-N 400.588 5.274 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)NC[C@H](c2cccs2)N2CCCCCC2)c1 27662497 DYSXXQDPOZONJJ-OAQYLSRUSA-N 414.615 5.292 0 40 HKAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1ccccc1 28652831 OOGLFISCRKTWKJ-LIRRHRJNSA-N 407.341 5.015 0 40 HKAB COc1cc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)ccc1OCc1ccccc1 29713121 JBQPFYADORRKIA-SANMLTNESA-N 424.500 5.189 0 40 HKAB O=C(COc1cccc(-c2noc(-c3cccc(Cl)c3)n2)c1)Nc1ccccc1 33327299 YBPASACSKJDDFF-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1cccc2ccccc12 33663907 RUYUCNOZGRQDQR-UHFFFAOYSA-N 409.942 5.220 0 40 HKAB CCCN(C(=O)NCc1ccc(OC)cc1)[C@@H](C)c1ccccc1Br 36395628 IMKRLJRCWOABLP-HNNXBMFYSA-N 405.336 5.141 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 43171184 FRHYBLCZLZYEMP-GOSISDBHSA-N 405.542 6.486 0 40 HKAB Cc1ccc(CNC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 46078769 RKNANRPTCPUOMF-UHFFFAOYSA-N 418.924 5.171 0 40 HKAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1Cc1ccccc1 72214944 YLPGNVDRCHFSEY-QFIPXVFZSA-N 409.574 5.959 0 40 HKAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1)C1CC1 72215350 PLVZVPDNCJKAIT-GOSISDBHSA-N 417.550 5.448 0 40 HKAB C[C@@H]1CCCCN1c1cc(NC(=O)c2cccc(Br)c2)c(Cl)cc1N 72229282 JAKHPUVQUJQQEQ-GFCCVEGCSA-N 422.754 5.316 0 40 HKAB COc1cccc(-c2c[nH]c([C@H]3CCCN3Cc3ncc(-c4ccc(F)cc4)o3)n2)c1 79058858 PXVYZYVGQLKUBF-OAQYLSRUSA-N 418.472 5.217 0 40 HKAB S=C(Nc1ccccc1)Nc1nnc(C(c2ccccc2)c2ccccc2)s1 95116299 NWMDVFPZRBWJDH-UHFFFAOYSA-N 402.548 5.527 0 40 HKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C[C@@H]3C=CCC3)CC2)n1 100739116 JQYNDBPUWAMTQW-SJBKTWHCSA-N 418.585 5.408 0 40 HKAB C1=C[C@H]2C[C@H]1C[C@@H]2CN1CCC(N(CCc2ccccc2)Cc2ccccc2)CC1 100862726 HRDKAWLNZHWKTJ-GMQQYTKMSA-N 400.610 5.408 0 40 HKAB Cc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)n3nc(-c4ccc(C)cc4)nc3N2)cc1 101289022 TWJDPUXRXKXLFW-QHCPKHFHSA-N 412.924 6.271 0 40 HKAB aggregator O=C(CCC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)c1ccc2ccccc2c1 102964221 PVFGIKZMXSWZHW-UHFFFAOYSA-N 414.288 5.707 0 40 HKAB CC(=O)O[C@@H]1C[C@H](c2ccccc2)N(C(C)=O)[C@H](c2ccccc2)[C@@H]1c1ccccc1 102998251 MJHOCQLFVZWVFV-FPCALVHFSA-N 413.517 5.437 0 40 HKAB CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 106736887 IOFJIKRXPDXCMW-GRSHGNNSSA-N 419.905 5.750 0 40 HKAB Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1Cl 106937291 GTFQQYYEOOREKG-YLJYHZDGSA-N 401.318 6.297 0 40 HKAB C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4C[C@H](O)[C@@]32C)O[C@]12CC[C@@H](C)CO2 123215455 ZOOSXBKBOJXIDR-GJXVAVKASA-N 416.646 5.794 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 196384128 KASMPAFQSMGLIF-UHFFFAOYSA-N 410.684 6.380 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 223033204 NFLJCVPXODPYRA-RTBURBONSA-N 405.922 5.091 0 40 HKAB COc1ccc(OCc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2OC)cc1 224264323 JKYFKFBSGZTUPX-UHFFFAOYSA-N 405.494 5.659 0 40 HKAB CC(C)(C)c1ccc(OCCNC(=O)c2ccccc2CCc2ccccc2)cc1 224280477 QINPBAABYXZTSD-UHFFFAOYSA-N 401.550 5.578 0 40 HKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1CN1CCCCC1 224827598 WDGMVMSJVHMUPD-HXUWFJFHSA-N 408.586 5.054 0 40 HKAB CC[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C)cc1C 225714970 JQLASAOUGBOYBA-KRWDZBQOSA-N 400.897 6.413 0 40 HKAB CCO[C@]1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCC[C@H](C)C1 225716548 BZKKHYFAPQQPEG-SQJMNOBHSA-N 416.606 5.255 0 40 HKAB COc1ccc(-c2nnsc2C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 225762464 COKBMDBHPIONMU-UHFFFAOYSA-N 413.808 5.138 0 40 HKAB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccccc1Sc1ccccc1 225801353 ARDAYLAEHORHQW-UHFFFAOYSA-N 419.481 5.598 0 40 HKAB Clc1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)c(Cl)c1 226343318 MIEAESKNPMTTFT-UHFFFAOYSA-N 420.919 6.062 0 40 HKAB CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(CC2CCCCC2)CC1 257257473 KPSCLLCXHPZJPC-UHFFFAOYSA-N 419.613 5.090 0 40 HKAB Cc1ccc(O)c([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(Cl)cc3)O2)c1 257296508 RDDWBNMIQXCWCM-XJUOHMSHSA-N 401.934 5.478 0 40 HKAB Fc1ccc(NCc2ccccc2OCc2ccc(Br)cc2)cc1Cl 408613629 YZZMJZVHRIRCAW-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB CC1CCN(C(=O)Nc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1 408735180 LCSGTUDYLJPDRZ-UHFFFAOYSA-N 422.532 6.228 0 40 HKAB O=C(CSCc1ccccc1Br)Nc1ccc(Br)cc1 408774880 RCHQAWDUNPCTIA-UHFFFAOYSA-N 415.150 5.084 0 40 HKAB CCCc1sc(NC(=O)c2cccc(C)c2)nc1-c1ccc(Cl)cc1Cl 408824450 HRNDAEGHUNPDRW-UHFFFAOYSA-N 405.350 6.630 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1Cc3ccccc3[C@H]21 408987654 BNBWQJNJHDXNCR-HMXCVIKNSA-N 410.300 6.163 0 40 HKAB CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 409073716 XBBCIPLQRUBMFT-UDWIEESQSA-N 410.926 5.708 0 40 HKAB Cc1ccc(NCc2ccccc2OCc2ccc(Br)cc2)cc1Cl 409119010 RRKDRCRYCNIMRC-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB COc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1ccccc1Cl 409119881 RILNAOFGJHAKMV-UHFFFAOYSA-N 416.348 6.810 0 40 HKAB Clc1ccccc1NCc1cc(Br)ccc1OCc1ccccc1 409181303 ATGXLXMLLKGFIL-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB CCn1c(COc2ccc3ccccc3c2C)nnc1SCc1ccc(F)cc1 409349151 UTAXTJHJDYSTOS-UHFFFAOYSA-N 407.514 5.770 0 40 HKAB Cc1ccc(N2CCC([C@H]3CCCCN3Cc3ccc4ccccc4c3)CC2)nn1 2056225563 RFQIPNNIBLSFMS-RUZDIDTESA-N 400.570 5.209 0 40 HKAB Fc1cccc(-c2cc3nc4c(c(NCCc5ccc(Cl)cc5)n3n2)CCCC4)c1 1341641 FIRRGURBAANDMO-UHFFFAOYSA-N 420.919 5.722 0 40 HKAB CC(C)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccco2)cc1 1379913 CYORHYGIYGHZJC-HSZRJFAPSA-N 420.509 5.443 0 40 HKAB CCOc1ccccc1Oc1coc2cc(OCc3ccc(C)cc3)ccc2c1=O 1448107 RJZLCNDQEASEJA-UHFFFAOYSA-N 402.446 5.871 0 40 HKAB biogenic CCCCN(CCCC)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 1816660 YFKVOTWCFGXOGA-UHFFFAOYSA-N 424.658 6.723 0 40 HKAB O=C(/C=C/c1ccccc1)Nc1cc2ccccc2cc1NC(=O)/C=C/c1ccccc1 1884570 RPWHAHYGSHMHTA-YTEMWHBBSA-N 418.496 6.144 0 40 HKAB CC[C@H](C)OC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 1915067 YWZCCWZVIIJDLL-UONOGXRCSA-N 400.858 5.222 0 40 HKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc4ccccc4c3)ccc21 2051805 ZJLHDTVSYIBMCY-UHFFFAOYSA-N 400.503 5.768 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCc3cc(C)ccc3C)cc12 2288234 UJVAARYGPQVFGW-UHFFFAOYSA-N 400.474 6.472 0 40 HKAB biogenic Clc1ccccc1CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 2714134 OSBBUTDEUYAJCF-UHFFFAOYSA-N 410.908 6.353 0 40 HKAB O=C(Oc1ccc(I)cc1)C(c1ccccc1)c1ccccc1 3108470 ANVJOOWHUJQQPE-UHFFFAOYSA-N 414.242 5.029 0 40 HKAB CCN(C(=S)NC(=O)c1ccc(Cl)cc1Cl)c1cccc2ccccc12 3281405 WNGHZMRFJWZOGK-UHFFFAOYSA-N 403.334 5.688 0 40 HKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)Nc1cccc(Cl)c1 3300368 ZCAADTDOUALSTJ-UHFFFAOYSA-N 423.900 5.820 0 40 HKAB COc1ccc(C(C)=O)cc1COC(=O)c1ccccc1Nc1cccc(C)c1C 3302478 MXUFWUQBBSXIGR-UHFFFAOYSA-N 403.478 5.615 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 3339484 NLFBNARKNNDUFP-UHFFFAOYSA-N 417.553 5.622 0 40 HKAB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)N[C@H]1c1c(F)cccc1Cl 3418896 HUVXTRRLIIOAJM-GOSISDBHSA-N 423.271 5.241 0 40 HKAB Cc1ccc(C(=O)n2ccc([C@@H](C)Oc3ccc(-c4ccccc4)c(F)c3)n2)cc1 4050138 HEVYQCSQWOMZHK-GOSISDBHSA-N 400.453 5.826 0 40 HKAB Cc1ccc(-c2nc(SCC(=O)Nc3cccc(C)c3C)c3ccccc3n2)cc1 4130162 ZSQQDUVUTCOWIA-UHFFFAOYSA-N 413.546 5.953 0 40 HKAB Cc1cc(C)c(OCC(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)c(Cl)c1 4616733 KBKJFDAZOPWOFR-UHFFFAOYSA-N 412.873 5.128 0 40 HKAB CCc1cccc(CC)c1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 5022049 BPXWEGXGHFDURR-UHFFFAOYSA-N 411.596 5.426 0 40 HKAB COc1ccc([C@H]2c3c(C)nn(-c4ccccc4C)c3Nc3nc4ccccc4n32)cc1 5343242 ZMTQIUWBXQPCIF-DEOSSOPVSA-N 421.504 5.542 0 40 HKAB CCc1cccc(CC)c1NC(=O)COc1ccc2ccccc2c1Br 5346946 XRDIXEYNKKPAFS-UHFFFAOYSA-N 412.327 5.745 0 40 HKAB COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccccc3F)cc2O)cc1 5452205 PZDCSFRQQOSWBZ-UHFFFAOYSA-N 405.425 5.749 0 40 HKAB biogenic CC(C)CC[C@@H](CCN[C@@H](C)c1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 5499221 OWFDAHUBFQIBJD-REWPJTCUSA-N 402.022 7.388 0 40 HKAB Cc1noc(C)c1CSc1nc2scc(C3CC3)c2c(=O)n1C1CCCCC1 6507941 WKNBSNCUNATZLF-UHFFFAOYSA-N 415.584 5.738 0 40 HKAB COc1ccc(-c2cc(NC(=O)c3ccc(F)cc3F)ccc2OC(F)F)cc1 6994945 HKHRRAVMRFSONT-UHFFFAOYSA-N 405.347 5.494 0 40 HKAB Cc1ccc(-c2csc3ncnc(S[C@@H](C)C(=O)NCc4ccco4)c23)cc1 7234109 LORVNCPEXXZLPB-AWEZNQCLSA-N 409.536 5.057 0 40 HKAB CCn1c(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1C1CC1 7618175 FRKQSCBRRVKHSA-FQEVSTJZSA-N 406.555 5.264 0 40 HKAB CSc1nnc(CCCNC(=O)c2sc3ccccc3c2C)n1C1CCCC1 7951813 ZFZZCFUOWJGART-UHFFFAOYSA-N 414.600 5.001 0 40 HKAB Cc1nc(SCC(=O)N[C@H](C)c2ccco2)c2cc(-c3ccccc3)sc2n1 8528301 RIMCIECOONIGBN-CYBMUJFWSA-N 409.536 5.229 0 40 HKAB COc1ccc(C(=O)Nc2oc3c(C)cccc3c(=O)c2-c2ccc(Cl)cc2)cc1 9129660 GAVGNKXOPPSRTP-UHFFFAOYSA-N 419.864 5.683 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 11246833 GFLFJQKARCFNHU-UHFFFAOYSA-N 411.820 5.252 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1ccccc1Br 11255921 PAAUEPVQZHRKCL-UHFFFAOYSA-N 410.315 5.240 0 40 HKAB Cc1ccc(Sc2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)c(C)c1 12600124 XFVQTPNJUPZTDI-UHFFFAOYSA-N 400.547 6.507 0 40 HKAB O=C(Nc1ccc(Br)cc1Cl)c1cccc(OCc2cscn2)c1 12789557 JAUIPSYZORYJPE-UHFFFAOYSA-N 423.719 5.390 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](Nc2cccc(N3CCCC3=O)c2)c2ccccc2)c1 12796302 XCTUSADTWMMUAU-VWLOTQADSA-N 413.521 5.222 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1O 14132003 KZHUMBQOUXERMZ-FYJGNVAPSA-N 405.475 5.181 0 40 HKAB O[C@@H](CNCc1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1 16477495 YCKROQJYKXEYIS-QFIPXVFZSA-N 402.321 5.396 0 40 HKAB Fc1ccc(COc2ccc(Br)cc2CNCc2ccccc2)cc1 16480102 QIINBRGMJRYMNZ-UHFFFAOYSA-N 400.291 5.457 0 40 HKAB Cc1ccc(C)c2sc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)nc12 17090975 GEBCXGBFQPCSKU-UHFFFAOYSA-N 417.317 6.732 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)c(C)c1 17093066 VFBVQEIKZUAFOW-UHFFFAOYSA-N 422.484 6.282 0 40 HKAB O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1cccc(C(F)(F)F)c1 18258106 XCNSPQUJCDXPGC-NLKGSNSHSA-N 416.281 5.768 0 40 HKAB CC(C)c1ccccc1NC(=O)c1cc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)no1 19453340 ALIQJGZEDNHTSX-LJQANCHMSA-N 423.557 5.337 0 40 HKAB CC1(C)CC(=O)c2c(Nc3ccc(F)cc3)nn(-c3nc4ccccc4s3)c2C1 19817247 JQTSQJVEJIZIBK-UHFFFAOYSA-N 406.486 5.520 0 40 HKAB O=C(Nc1c(F)cc(F)cc1Br)c1cc(-c2ccc(Cl)cc2)on1 20137407 RICKRIQWIAFJFG-UHFFFAOYSA-N 413.605 5.288 0 40 HKAB CCCCc1ccc(Nc2cc(C)nc3cc(-c4ccc(OC)c(OC)c4)nn23)cc1 21150324 KXFZIHFNOKAWNS-UHFFFAOYSA-N 416.525 5.808 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)COc4ccc(C(C)C)cc4)ccc3o2)c1 21579430 CSUPATDQPIGWEG-UHFFFAOYSA-N 416.477 5.644 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccccc2)o1 21580656 KXRCUJXAHUAWMQ-UHFFFAOYSA-N 409.445 5.751 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1C[C@@H]2CCC[C@H](C1)C2=O 23659825 OSEGWXPBJFCZTG-XYPWUTKMSA-N 408.464 5.030 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCc2csc(-c3ccccc3)n2)c1 28293796 BDNOBYOPKPDLAN-SFHVURJKSA-N 408.567 5.368 0 40 HKAB CCCCc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)cc1 35040535 IGBKJGMTRNUDLW-WOJGMQOQSA-N 422.402 6.742 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 44855427 UBJHGPYOOZQIBJ-CVDCTZTESA-N 406.570 5.259 0 40 HKAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(CSc2ccccc2)cc1 44857203 IYZKXONSQNOBDZ-UHFFFAOYSA-N 416.590 5.505 0 40 HKAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(F)cc4F)ccc32)cc1 46078569 BFBGLTNRAWVWPZ-UHFFFAOYSA-N 406.432 5.119 0 40 HKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(Cl)cc2Cl)c1 52410718 UCBTYTPINWZFNC-UHFFFAOYSA-N 401.677 5.013 0 40 HKAB O=C(NCCc1ccccc1)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 64472784 SQMPHUTXARGZJD-UHFFFAOYSA-N 406.938 5.832 0 40 HKAB O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1 67295506 SZGHCQZOBYQJMT-MEFGMAGPSA-N 412.367 5.207 0 40 HKAB CC(C)CN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 72215585 RZIGLTZGQONSIA-NRFANRHFSA-N 401.595 5.949 0 40 HKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 72349662 BENULRWJZINOAD-SFHVURJKSA-N 413.496 5.318 0 40 HKAB COc1cccc(NC(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)c1 96147714 OPGQDBNZIHANIY-UHFFFAOYSA-N 424.504 5.283 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(NC(=O)c4ccccc4)c(C)c3)o2)cc1C 108001977 OWZTUIRVXRKQDV-UHFFFAOYSA-N 424.500 6.376 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccccc1OCc1ccc(F)cc1 108064479 QCXXWHZRLFRWBA-NRFANRHFSA-N 424.497 5.173 0 40 HKAB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2cccc(C)c2)C1=O 214627710 MUVZOEIOTAVOHS-HYARGMPZSA-N 403.503 5.783 0 40 HKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 222935308 PGFBGLCKHYJJIB-CVDCTZTESA-N 419.565 5.676 0 40 HKAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1CSc1ccccc1 224327118 YBXCWHOMNRNYLQ-UHFFFAOYSA-N 407.491 5.011 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccccc1Cl 224475667 OEAQLSRSFBMJKK-QGZVFWFLSA-N 409.913 5.809 0 40 HKAB CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccccc1C(C)C 224562743 IRIFTBZJPIIZOF-UHFFFAOYSA-N 421.581 6.408 0 40 HKAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COCc1ccccc1 224752666 DBYSCJRWKMKEMX-UHFFFAOYSA-N 417.549 6.179 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224876669 BMGHDTZTABXTPM-UHFFFAOYSA-N 419.706 5.637 0 40 HKAB CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)CCc1c(Cl)cccc1Cl 225364970 IJBBVAWRBKULGB-UHFFFAOYSA-N 424.715 5.288 0 40 HKAB Fc1cc(Br)ccc1NC(=S)NCCCc1ccccc1Cl 225541006 WFIREKRQVNBELL-UHFFFAOYSA-N 401.732 5.161 0 40 HKAB COc1cccc(CCCNC(=S)Nc2ccc(Br)c(Cl)c2)c1 225553782 MLFDKGSVBHZUHU-UHFFFAOYSA-N 413.768 5.030 0 40 HKAB COc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cc1Cl 225853875 FFIRKSSGEBNJTJ-UHFFFAOYSA-N 423.409 6.234 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(Cl)cc2)cc1 408694014 HDXUJGBKGNGBIB-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2cccc(C)c2)cc1 408697171 FOQDIEHFCXZIPM-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)nn2-c2cccc(C)c2)cc1 408723966 BGSYSLNLZBUWJD-UHFFFAOYSA-N 401.897 6.062 0 40 HKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O 409056804 NZQLDGXCCQHPPR-MOSHPQCFSA-N 415.486 5.250 0 40 HKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCc3ccc(Cl)cc3)n2)cc1 409387012 YRCCGGGRIUTDCY-UHFFFAOYSA-N 410.848 6.117 0 40 HKAB NC(=O)c1cc(NC(=O)c2c(F)cccc2Sc2ccc(Cl)cc2)ccc1F 680886591 UCTGFFHMAMIDPC-UHFFFAOYSA-N 418.852 5.121 0 40 HKAB CC(C)(CNc1nc(C(F)(F)F)nc2ccc(F)cc12)N1CCc2ccccc2C1 1615566511 XYMKWJYMGMXYBT-UHFFFAOYSA-N 418.438 5.037 0 40 HKAB Clc1cccc(CSc2ncnc3c2[nH]c2ccc(Br)cc23)c1 1889143328 FRSQKEDIDJCNGX-UHFFFAOYSA-N 404.720 5.819 0 40 HKAB COc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)[C@H](C)Oc3ccccc3)c2)cc1 713038 CIIUNCQUPDHRHU-HNNXBMFYSA-N 424.884 5.007 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C(=O)Nc3ccccc3C)ccc2Cl)cc1 1006653 ZSBZFKYQNVQGIR-UHFFFAOYSA-N 408.885 5.552 0 40 HKAB C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)c4ccccc4F)c23)C1 1377323 PALDRURGBDBLRC-GFCCVEGCSA-N 412.555 5.808 0 40 HKAB COc1ccc([C@@H](OC(=O)C(c2ccccc2)c2ccccc2)[C@H](C)N(C)C)cc1 1758875 DZUUHEOUVSUUCX-DFBJGRDBSA-N 403.522 5.062 0 40 HKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C=C/c1ccccc1OC 1782367 NHJRZBAJAHWJEV-BUHFOSPRSA-N 407.491 5.252 0 40 HKAB CCCCCc1ccc(-c2ccc(-c3nnc(-c4ccccc4Cl)o3)cc2)cc1 2058488 SEGNASXFVSHZBY-UHFFFAOYSA-N 402.925 7.457 0 40 HKAB Cc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)Nc3ccc(F)cc3)c2c1 2079751 ALVIGNFTTBWFMG-UHFFFAOYSA-N 418.899 6.872 0 40 HKAB CC(C)(C)c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2)cc1 2256883 DIIWJJNMKWMFQA-UHFFFAOYSA-N 412.924 6.587 0 40 HKAB Cc1c(Cc2c(C)n(C)n(-c3ccccc3)c2=S)c(=S)n(-c2ccccc2)n1C 2274873 LIHNEWVJGXIJIQ-UHFFFAOYSA-N 420.607 5.612 0 40 HKAB O=C(Nc1ccc(Br)cc1Br)c1ccc(C(F)(F)F)cc1 2653114 PZUFXSPMMPKIHA-UHFFFAOYSA-N 423.026 5.483 0 40 HKAB CC(C)c1ccc(NC(=O)N[C@@]2(C(F)(F)F)Oc3ccc(Cl)cc3O2)cc1 2725325 FYJVIKXGWOGVEV-SFHVURJKSA-N 400.784 5.272 0 40 HKAB COP(=O)(OC)c1nc(-c2cccc3ccccc23)oc1NCc1ccccc1 2908123 KZDVVIYQKAFCIA-UHFFFAOYSA-N 408.394 5.218 0 40 HKAB CCOc1ccc([C@@H]2C[C@@H](c3ccccc3OC(F)F)n3ncnc3N2)cc1Cl 2918272 IHUYCCOTZFHFRJ-HOTGVXAUSA-N 420.847 5.078 0 40 HKAB C[C@@H](NC(=S)Nc1ccc(Cl)c(Cl)c1)[C@@H](c1cccs1)N1CCCC1 3211460 DDJIYRDWTPYEFY-PXAZEXFGSA-N 414.427 5.567 0 40 HKAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)/C=C/c2cccc(F)c2)c2ccccc21 3329329 CENQNCTVVBRDEQ-CCEZHUSRSA-N 413.448 5.424 0 40 HKAB c1cc(-c2nc3cc(Cc4ccc5oc(-c6ccncc6)nc5c4)ccc3o2)ccn1 3642736 GFGKQCBDMAMZDX-UHFFFAOYSA-N 404.429 5.684 0 40 HKAB O=C(Cn1cc(C(=O)C(F)(F)F)c2ccccc21)Nc1cc(Cl)cc(Cl)c1 4108886 RHUBQHRXIWUWIP-UHFFFAOYSA-N 415.198 5.332 0 40 HKAB Clc1cccc(Cl)c1CSc1ccc(-c2ccc3c(c2)OCCO3)nn1 4966247 FKHKPKSFLWDCHT-UHFFFAOYSA-N 405.306 5.514 0 40 HKAB COc1ccccc1C(=O)N(Cc1cccnc1)c1nc2cc(C)c(C)cc2s1 5152714 QCBHDMSYVWZVBC-UHFFFAOYSA-N 403.507 5.164 0 40 HKAB CC(=O)N1N=C(c2ccccc2OC(=O)/C=C/c2ccccc2)C[C@@H]1c1ccccc1 5216174 ZGSVWJBOAOADQN-GQRCBVMOSA-N 410.473 5.003 0 40 HKAB COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2cccc(Cl)c2)cc1 5324277 CUTILFHXVIRUTF-UHFFFAOYSA-N 405.837 5.374 0 40 HKAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@H]3CCCc4ccccc43)o2)cc1C 5779284 ZIACNDWQTCJCLG-JXFKEZNVSA-N 407.539 5.028 0 40 HKAB O=C(CSCc1ccccc1Cl)Nc1ccc(CSc2ccccc2)cc1 6864413 NBHFSRMYLSMIDL-UHFFFAOYSA-N 413.995 6.504 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc(Cl)s1)CC2 7979650 HPNKCZCMHQWIEP-OAQYLSRUSA-N 413.926 5.207 0 40 HKAB CCOc1cc(CNC2CCCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 8253948 IUWODIYQMXTGBV-UHFFFAOYSA-N 422.396 6.784 0 40 HKAB Cc1nc(-c2ccc(NC(=O)c3ccco3)cc2)sc1C(=O)Nc1ccccc1 8298625 QRTYMSBDOUCLQJ-UHFFFAOYSA-N 403.463 5.216 0 40 HKAB CCOc1cc(CN[C@H](C)CC)cc(Br)c1OCc1ccccc1F 8325891 SJXSMJZWTYFLGU-CQSZACIVSA-N 410.327 5.454 0 40 HKAB O=C(Nc1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1)c1ccccc1 8434727 DLGDQADYYZYPOD-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB CSc1nc(NCCC(C)C)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 8657499 NMOBLVGZKALWEJ-UHFFFAOYSA-N 414.644 6.107 0 40 HKAB CC1=C(C)[C@H](c2c(-c3ccc(F)cc3)n(C)c3ccccc23)N(C[C@@H]2CCCO2)C1=O 9095167 RRGUPCGBHLLZEV-GBXCKJPGSA-N 418.512 5.383 0 40 HKAB C[C@@H](CNC(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2n1C(F)F 9202504 TVLKDKAWCGBQPU-KRWDZBQOSA-N 419.475 5.483 0 40 HKAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(Br)s3)n2)cc1 9354739 HTTZZWSUKKHUEW-UHFFFAOYSA-N 421.385 6.184 0 40 HKAB Cc1ccc(-c2cc(OC(=O)[C@@H](C)Oc3ccccc3F)cc3sc(=O)oc23)cc1 9408851 OSGHNSZBAMEQFV-CQSZACIVSA-N 424.449 5.342 0 40 HKAB CC(C)[C@@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1nc2ccccc2[nH]1 9546058 HDUVZRMGUIWTSN-GOSISDBHSA-N 424.854 5.161 0 40 HKAB COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)c3cccs3)nc12 9708978 MRURVLQIXQKENP-UHFFFAOYSA-N 415.927 5.262 0 40 HKAB Cc1ccc(Cl)cc1NCc1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 9763574 BAWRBVMCAHRGSB-UHFFFAOYSA-N 424.730 7.285 0 40 HKAB C[C@@H]1C[C@@H](C)CN(C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 11612282 CWVBPMKCELIABZ-IIDMSEBBSA-N 405.369 5.440 0 40 HKAB CC(=O)c1ccc(N(C(=O)COc2ccccc2F)c2nc3ccccc3s2)cc1 12764861 CELYCPHGRLTGHR-UHFFFAOYSA-N 420.465 5.382 0 40 HKAB Cn1cccc1[C@H]1CCCCCN1C(=O)/C=C/c1csc(-c2ccc(F)cc2)n1 12801728 RQNPYGJRMKECME-JNCYCUAHSA-N 409.530 5.445 0 40 HKAB Cc1c(C(=O)Nc2ccc(OC(F)F)cc2)cnn1-c1cccc(C(F)(F)F)c1 12877133 LNISDVNQTDJQIT-UHFFFAOYSA-N 411.330 5.053 0 40 HKAB Cc1ccccc1C(=O)Nc1c(S(=O)(=O)c2ccccc2)c(C)c(C)n1C(C)C 13693521 HGUMCQQZXODREL-UHFFFAOYSA-N 410.539 5.079 0 40 HKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Br)c(Cl)c1 13709330 KIULCYPVORMCCD-LBPRGKRZSA-N 404.691 5.662 0 40 HKAB COc1ccc(-c2c(C)nn3c2N=C(c2ccc(C)cc2)C[C@@H]3c2ccccn2)cc1 14607598 DGBZOVQXAJYXIF-XMMPIXPASA-N 408.505 5.684 0 40 HKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(-c2cccc(F)c2)o1 16282651 VJCWHHJHIFGDHD-UHFFFAOYSA-N 413.408 5.850 0 40 HKAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 17092940 RWBSARZBAIQOQY-CYBMUJFWSA-N 422.381 5.499 0 40 HKAB Cc1cccc(CN2CCC[C@@H](c3noc4nc(C(C)C)cc(C(F)(F)F)c34)C2)n1 19236213 DLRCOHYZKZSFFR-OAHLLOKOSA-N 418.463 5.448 0 40 HKAB Cc1ccc(OCc2nnc(SCC(=O)c3ccc(Cl)cc3Cl)o2)cc1C 19927342 HGKOJBALUWUNIE-UHFFFAOYSA-N 423.321 5.547 0 40 HKAB CCCCc1ccc(C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)cc1 25050697 HWICQJWZNYPMAP-UHFFFAOYSA-N 402.542 5.575 0 40 HKAB O=C(COc1ccccc1)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 27749135 CURHCDJFKJNOFF-HXUWFJFHSA-N 404.897 5.148 0 40 HKAB CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 27989046 ONXFUIAZRPGUSS-FQEVSTJZSA-N 418.924 5.782 0 40 HKAB Oc1[nH]c(=S)nc2c1[C@H](c1cccc(C(F)(F)F)c1)C=C(c1ccccc1)N2 28466203 LTUGFOXRPWAMRL-AWEZNQCLSA-N 401.413 5.462 0 40 HKAB O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 29462357 CGCHHWMLIMLSFM-UHFFFAOYSA-N 416.408 5.171 0 40 HKAB O=c1nc(SCc2ccc(Cl)nc2)[nH]c2scc(-c3ccc(F)cc3)c12 31755640 BXKMMZXCAXNMTB-UHFFFAOYSA-N 403.891 5.131 0 40 HKAB Cc1c(-c2ccccc2)sc(NC(=O)Cc2cccs2)c1C(=O)N1CCCCC1 32722363 OUIQSGVOBSOZJQ-UHFFFAOYSA-N 424.591 5.592 0 40 HKAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCC2)Nc1ccc(Cl)c(Cl)c1 33409191 BQAZOBWFZWRKEN-UHFFFAOYSA-N 422.259 5.022 0 40 HKAB COc1cccc(-c2cc(C(=O)Nc3cccc(Cl)c3C)c3c(C)nn(C)c3n2)c1 36616229 RORXGYLFZYBIJY-UHFFFAOYSA-N 420.900 5.166 0 40 HKAB Cc1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1-c1ccc(Cl)cc1 40925555 SLADHMDJMIXJTF-UHFFFAOYSA-N 418.949 6.543 0 40 HKAB CCc1ccc2nc(-c3cc(Br)cc(Br)c3N)sc2c1 62720011 DKUHCFHEJNFRIN-UHFFFAOYSA-N 412.150 5.633 0 40 HKAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3cccc(C(=O)OC(C)C)c3)oc12 67339509 AMOUEJDGEOBVIM-BQYQJAHWSA-N 413.857 5.312 0 40 HKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 72215164 YLNOEWZPHUJGPW-NZQKXSOJSA-N 423.601 6.349 0 40 HKAB C[C@H](Nc1c(C(=O)N2CCCCC2)cnc2ccc(Cl)cc12)c1ccc(F)cc1 72328482 ODTMFWHDWKGVBF-HNNXBMFYSA-N 411.908 5.827 0 40 HKAB Cc1ccc(C(C)C)cc1OCCn1cc(C(=S)N2CCCCC2)c2ccccc21 96193994 KTCQVFSEXGGBCQ-UHFFFAOYSA-N 420.622 6.314 0 40 HKAB CC(C)Oc1cc(-n2c(S)nc3ccc(Cl)cc3c2=O)c(Cl)cc1Cl 100924145 CCICPAFKYRMXPP-UHFFFAOYSA-N 415.729 5.422 0 40 HKAB COc1ccc(-c2cs/c(=N\C(=O)c3ccccc3)n2-c2ccc(Cl)cc2)cc1 100930828 QSLPRFPNQWLCBJ-BZZOAKBMSA-N 420.921 5.609 0 40 HKAB OC1=C2C(=Nc3nonc3N[C@@H]2c2cccc(O)c2)C[C@@H](c2ccc(Cl)cc2)C1 102741896 IPZVVDZDIAOFCN-BFUOFWGJSA-N 408.845 5.058 0 40 HKAB CCCC[C@H](CC)C[Si]1(C[C@H](CC)CCCC)c2ccsc2-c2sccc21 201132205 MQIPWGKXFQQTLD-BGYRXZFFSA-N 418.788 7.786 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC(c1ccccc1)c1ccccc1 222926386 BGWJSJLVZOGFFR-DEOSSOPVSA-N 401.550 6.047 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1C(C)C 223270507 AWDBDSZVVXUFLI-IERINAHZSA-N 403.522 6.138 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1cccc2ccccc12 224629580 YUTDAVGYXIOWQS-UHFFFAOYSA-N 411.501 6.378 0 40 HKAB CC1(C)CCC[C@]2(C)[C@H](CBC[C@@H]3[C@@H]4CC[C@@H]5[C@H]4C(C)(C)CCC[C@]35C)[C@@H]3CC[C@@H]2[C@H]31 299754701 IPXFSDFIJKJCCK-ZMTJIDQLSA-N 422.550 8.237 0 40 HKAB CCCOc1ccc2ccccc2c1CNc1ccc(Br)c(Cl)c1 408559326 VFNFDLXEZDTDKH-UHFFFAOYSA-N 404.735 6.657 0 40 HKAB S=C(NCCc1ccccc1)c1ccc(OCc2ccccc2Cl)c(Cl)c1 408571946 DLKRZMSRQXLIOG-UHFFFAOYSA-N 416.373 6.080 0 40 HKAB COc1cccc(C(=S)NCc2ccc(F)cc2)c1OCc1ccccc1Cl 408578186 WOSPEFTYUWCCAC-UHFFFAOYSA-N 415.917 5.532 0 40 HKAB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4)c3)nc2c1 408624143 BFSYPNQBCYRCSI-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)c1ccccc1F 408625180 IHSMRGMLUKWPNV-UHFFFAOYSA-N 410.297 5.528 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 408626395 GYUKJKSOAJBNDV-UHFFFAOYSA-N 401.491 5.184 0 40 HKAB COc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)cc3)n2)c1 408697580 IEFHJDILLNRQDQ-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccccc2F)nc1-c1ccccc1 408699309 STRRWJXEYDQBLB-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB CN(C)c1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1Br 408987190 DZRHDFNPPVSBNZ-UHFFFAOYSA-N 418.360 5.161 0 40 HKAB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CCc2ccccc2)C1=O 409208495 BZPDRDWEQHYEFX-QJOMJCCJSA-N 417.530 5.908 0 40 HKAB CCOc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409378111 LYGHBQACCCHLGA-UHFFFAOYSA-N 404.510 5.332 0 40 HKAB CC(C)CCN1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)CCC1CCC1)C2 643567527 JWIRUTLDXYXLQH-RPWUZVMVSA-N 411.634 5.290 0 40 HKAB Cc1cccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccncc2)c1 664020 ASINKQMJTRAGSR-UHFFFAOYSA-N 408.530 6.083 0 40 HKAB CCOc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 672860 IGHQZZCVLRXMCO-UHFFFAOYSA-N 412.445 5.282 0 40 HKAB CCOc1ccc2nc(NC(=O)CSc3nc4c(C)cccc4cc3C)sc2c1 932900 BYNVKPWTVMOEAT-UHFFFAOYSA-N 423.563 5.591 0 40 HKAB Cc1ccc(Br)cc1SCC(=O)Nc1ccc(Cl)cc1Cl 938574 CHHJWYRQZMNTFN-UHFFFAOYSA-N 405.144 5.795 0 40 HKAB COc1ccc(C)cc1NC(=O)CSc1nc(C2CC2)nc2sc(C)c(C)c12 1377433 JOQDSJFALVIHBJ-UHFFFAOYSA-N 413.568 5.233 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3cccc(Oc4ccccc4)c3)n2)cc1 1506409 QNJWMRKVVDBVDS-UHFFFAOYSA-N 402.475 5.863 0 40 HKAB CN1CCC(N(C)c2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)CC1 1773064 YRAHMLVJMVTYTG-UHFFFAOYSA-N 401.341 5.134 0 40 HKAB O=C1c2ccccc2N[C@H](c2ccc(Cl)cc2Cl)N1c1ccc2ccccc2c1 2057308 OEXATDKVNYYYPW-QHCPKHFHSA-N 419.311 6.918 0 40 HKAB Cc1ccc2c(c1)[C@](C)(c1ccc(Cl)cc1)CC(C)(C)N2C(=O)c1cccc(F)c1 2063135 VNYWIAAHVVNUST-SANMLTNESA-N 421.943 6.923 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)sc2c1CCCCC2 2084796 RMMNLSLYWHRQIJ-ZDUSSCGKSA-N 421.946 5.253 0 40 HKAB CC(C)Oc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1 2253013 DNIOVSUBNKBEIV-UHFFFAOYSA-N 410.521 5.613 0 40 HKAB O=S(=O)(c1cccc(-c2csc(-c3ccc(Cl)cc3)n2)c1)N1CCCCC1 2368096 LQTLCPDUYZXQEG-UHFFFAOYSA-N 418.971 5.305 0 40 HKAB Cc1ccccc1OCCSc1nnc(-c2cccnc2)n1-c1ccccc1C 2620675 DYNBHINIUUQNDY-UHFFFAOYSA-N 402.523 5.117 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(-c3cccc(C)c3)oc2N2CCCCCC2)cc1 2696704 OGDHJRVNLVLZJC-UHFFFAOYSA-N 410.539 5.172 0 40 HKAB COc1cccc(C2=C[C@H](c3c(F)cccc3Cl)n3c(nc4ccccc43)N2)c1 2918481 GKMAQDCPZODHDN-OAQYLSRUSA-N 405.860 5.893 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1)c1ccccc1CSc1ccccc1Cl 3104413 CFRFKSGLKHDOMU-UHFFFAOYSA-N 409.359 6.119 0 40 HKAB O=c1c2ccccc2nc(/C=C/C=C/c2ccccc2)n1-c1cccc(C(F)(F)F)c1 3212722 WRWKVLBLRDKWCT-YHRDUSGESA-N 418.418 6.131 0 40 HKAB CC(C)(C)C1CCC(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)CC1 3225437 UDQBPENPHFPWHU-UHFFFAOYSA-N 424.035 6.275 0 40 HKAB O=C1c2ccccc2N[C@@H](c2ccccc2Br)N1c1cccc(Cl)c1 3625216 BNWDDSBOVRAZFH-LJQANCHMSA-N 413.702 5.874 0 40 HKAB Cc1ccccc1OCC(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 3655402 LZSDKORUQFACNS-UHFFFAOYSA-N 419.864 5.643 0 40 HKAB C[C@]1(C(=O)Nc2cccc(C(F)(F)F)c2)CC2c3ccccc3C1c1ccccc12 3663543 YECDSYADCMGVQV-IWAAJCSBSA-N 407.435 6.331 0 40 HKAB Cc1ccc(Cl)cc1-n1nnnc1[C@H](Nc1ccccc1)c1ccc(Cl)cc1 4042541 SEGAULMDJBWKMF-HXUWFJFHSA-N 410.308 5.479 0 40 HKAB Cc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)c1C 4585225 LBCPRLFYWURMDO-UHFFFAOYSA-N 417.896 5.275 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2)cc1 4872064 CEWBLLUBUURYNV-LADGPHEKSA-N 404.897 5.981 0 40 HKAB Cc1cccc(-n2c(/C=C/c3ccc(Cl)cc3Cl)nc3ccccc3c2=O)c1 4900838 MJNRRRUERFFGRB-ZRDIBKRKSA-N 407.300 6.171 0 40 HKAB CC(C)(C)c1cnnn1-c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccco3)C2)cc1 5445546 GJURUUGVNDPSBR-JOCHJYFZSA-N 411.509 5.514 0 40 HKAB CCCCN1C(=O)S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C1=O 5552421 BHACOWIPXMSTLJ-LFIBNONCSA-N 406.301 5.546 0 40 HKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OC(C)C)c4)cc3n2)cc1 6168900 QQRACWBXLAFVOP-UHFFFAOYSA-N 414.509 5.331 0 40 HKAB CCc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c23)cc1 6489908 YQYFVXHHHMGMCO-UHFFFAOYSA-N 419.575 5.960 0 40 HKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(C)cc4)cc3n2)cc1 6635998 FNPCZIAIMNARPZ-UHFFFAOYSA-N 418.928 5.977 0 40 HKAB CCc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 6830188 UOUYGQISYVBFJO-UHFFFAOYSA-N 412.533 5.407 0 40 HKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)c(C)c1 6964957 KSQJRDZCLWDSLZ-UHFFFAOYSA-N 408.929 5.895 0 40 HKAB Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1 7623875 PICDTQRTCSDNTA-UHFFFAOYSA-N 404.322 5.490 0 40 HKAB C[C@H](Sc1nn(-c2ccc(F)cc2)c(=S)s1)C(=O)c1ccc2c(c1)CCC2 7780284 WYGYATMQPVZARS-LBPRGKRZSA-N 416.568 5.655 0 40 HKAB O=C(c1csc(-c2ccccc2)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8157312 ILHZOIBJGMWRAF-MRXNPFEDSA-N 405.548 5.440 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2cccc(-c3nc4ccccc4s3)c2)c1C 8165696 XKLWDRKLLCTWLV-HNNXBMFYSA-N 417.534 5.794 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)c1 8170197 OHZLQAUSRKZFIJ-UHFFFAOYSA-N 419.525 5.359 0 40 HKAB O=C(CCCc1c[nH]c2ccccc12)N1CCc2sccc2[C@H]1c1cccs1 8393033 XHJZCIDNTVZMCA-QHCPKHFHSA-N 406.576 5.788 0 40 HKAB COc1ccc(N(Cc2cccs2)C(=O)COc2cc(C)c(Cl)c(C)c2)cc1 8586693 HXRLYDRPZZYFEC-UHFFFAOYSA-N 415.942 5.639 0 40 HKAB CCc1ccc(/C=C2/S[C@H](c3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1 8917133 UUNLNMPXNFSKHX-OWXSRONMSA-N 419.977 7.031 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(Cc2ccccc2F)CC1 9063486 SCBXKNDWZRIZMC-UHFFFAOYSA-N 414.830 5.349 0 40 HKAB CCCC(=O)Nc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1 9385995 GZWUFERYUNUOHM-UHFFFAOYSA-N 405.523 5.564 0 40 HKAB CCOc1ccc(/C=c2/sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1 9462611 QOASAAOUZLMXSX-OQKWZONESA-N 424.525 5.036 0 40 HKAB CCOCCCNc1nc(Nc2cc(C)cc(C)c2)c2cnn(-c3ccccc3)c2n1 9573556 YVEKAJFPHLFNHJ-UHFFFAOYSA-N 416.529 5.014 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2C)cc1 10314399 FUZJYMHQZLLEBY-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c(C)c1 10446321 VHMAWTOPPSPART-LTGZKZEYSA-N 419.908 6.004 0 40 HKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)N(Cc1ccccc1)C1CC1 12855257 QMGLMGUVEZHYFR-DTQAZKPQSA-N 420.516 5.139 0 40 HKAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1cccc(Cl)c1Cl 12914457 HCIQXTVYFOEGGQ-LJQANCHMSA-N 423.390 5.703 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)/C=C/c3ccccc3)c2)c1C 14405417 CFAMUJNASFAELM-CCEZHUSRSA-N 416.525 5.204 0 40 HKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(N2CCCC2)c(Cl)c1 17089434 SOKZEFCRIDCQQQ-UHFFFAOYSA-N 412.961 6.005 0 40 HKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20456330 QKEARJHOGZJZIV-RUZDIDTESA-N 400.522 6.227 0 40 HKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 20457735 SMZFENQLCWMEFB-NRFANRHFSA-N 419.590 6.619 0 40 HKAB CC(C)c1ccc(Nc2ncccc2C(=O)Nc2ccccc2Br)cc1 22072696 WWKZOMIFNGMEJT-UHFFFAOYSA-N 410.315 5.963 0 40 HKAB Clc1ccc(COc2ccccc2CNC23CC4CC(CC(C4)C2)C3)c(Cl)c1 22073763 CTWNXNWIAKILPR-UHFFFAOYSA-N 416.392 6.631 0 40 HKAB c1ccc(Oc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)cc1 22341434 WHELQIQTMGKFHM-UHFFFAOYSA-N 409.536 5.044 0 40 HKAB CCOc1ccccc1Nc1nnc(S[C@H](C)c2nc(C(C)(C)C)no2)s1 24045028 GQWMVHLGZUHCEO-LLVKDONJSA-N 405.549 5.214 0 40 HKAB Brc1ccc(-n2cnnc2CCn2c3c(c4ccccc42)CCCC3)cc1 28297164 JSIPDYAYCZEIMJ-UHFFFAOYSA-N 421.342 5.106 0 40 HKAB Fc1ccc(CN(CCc2nc3ccccc3[nH]2)C(=S)Nc2ccc(F)cc2)cc1 35290205 XSZQWHGMDJTWHE-UHFFFAOYSA-N 422.504 5.283 0 40 HKAB O=C1N/C(=N\c2ccc(F)c(Cl)c2)S/C1=C/c1ccc(Br)cc1 35647584 WJXVDJRYLINIPU-VGOFMYFVSA-N 411.683 5.133 0 40 HKAB CCc1ccc(Cl)c(CC)c1NC(=O)N(C)Cc1ccc(OC)c(OC)c1OC 40103335 BFTCMQHZWYWFAY-UHFFFAOYSA-N 420.937 5.155 0 40 HKAB COc1ccc([C@H]2CCCN2C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cc1 44368872 PGLGMPXRECSCGU-LJQANCHMSA-N 407.436 5.149 0 40 HKAB CCCCOc1ccccc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 48326353 PWPKSKXVRVELOX-UHFFFAOYSA-N 411.452 5.070 0 40 HKAB Cc1ccc(-c2noc(CCC(=O)N(Cc3ccccc3)Cc3ccccc3)n2)cc1 57781439 ZVCAZALKXOSHSH-UHFFFAOYSA-N 411.505 5.207 0 40 HKAB Oc1ccccc1/C=C1\CCC[C@@H]2C1=NN1[C@@H](c3ccccc3)Oc3ccccc3[C@@H]21 63395071 RBNFJAIQAGRWKX-KULNGOEDSA-N 408.501 6.080 0 40 HKAB C[C@](OC(=O)c1ccc(Cl)nc1)(c1cccc(Br)c1)C(F)(F)F 72307987 LIQUFTNVWOZCTC-AWEZNQCLSA-N 408.601 5.132 0 40 HKAB Cc1ccc(NC(=O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)c(Cl)c1 101094160 AESOZTTZYVOFMR-UHFFFAOYSA-N 411.889 5.753 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)cc1 101096016 YYKTZRBQJLRYQA-UHFFFAOYSA-N 418.537 6.087 0 40 HKAB CC(C)CCC[C@@H](C)N1CC(O)=C(c2nc(-c3ccc(Cl)cc3)cs2)C1=N 102043850 ZLTIBVMQDZNGPK-CQSZACIVSA-N 403.979 6.240 0 40 HKAB CC1(C)[C@@H]2C[C@@H]3C(=CC[C@H]4C(=O)[C@@H]5CC=C6[C@H](C[C@@H]7C[C@@H]6C7(C)C)[C@@H]5C(=O)[C@H]34)[C@@H]1C2 104134167 MGEJXICFGVOYBM-KMHVDQGYSA-N 404.594 5.628 0 40 HKAB Fc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN12 105833363 VVYYZXQNNUZIFX-IAPPQJPRSA-N 420.487 6.735 0 40 HKAB CC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OCCCN5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 118925275 NPTNCOUTQMAIFQ-JQSNCEKWSA-N 413.690 6.847 0 40 HKAB CC[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(C)cc1C 219265873 WKTDVEKOWMCTKX-RUZDIDTESA-N 419.590 6.356 0 40 HKAB COC(=O)CC1CCC2(CCCc3cc(C(=O)C(C)(C)Br)ccc32)CC1 219771747 AOMHUWWRXNUSON-UHFFFAOYSA-N 421.375 5.370 0 40 HKAB CC[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(C)c(C)c1 219774820 UVTQJMXHSRQQIY-HSZRJFAPSA-N 407.941 6.417 0 40 HKAB Cc1ccc(N2CCC(C(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)cc1 219853115 DLSGBYYVIYLXDL-UHFFFAOYSA-N 400.522 5.429 0 40 HKAB CCOC(=O)c1c(NC(=O)CCc2cccc3ccccc23)sc2c1CCCC2 222666872 ANALJPMDNSUKCZ-UHFFFAOYSA-N 407.535 5.528 0 40 HKAB COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COc1ccccc1 224090230 BSFPHHHZARAHNX-UHFFFAOYSA-N 415.533 5.369 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 224560455 YADMMEQWJBAAJD-XZOQPEGZSA-N 407.554 5.450 0 40 HKAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 224727765 PLTWWVHXMMAZCM-NRFANRHFSA-N 422.613 5.169 0 40 HKAB O=C(COc1cccc2c1CCCC2)Nc1cc(Cl)ccc1Oc1ccccc1 225541948 GQDFNQAIQCPWLE-UHFFFAOYSA-N 407.897 6.029 0 40 HKAB CCOCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1 225554525 BEVMSMFSSNDIDE-UHFFFAOYSA-N 401.934 5.596 0 40 HKAB FC(F)(F)c1cc(NC(=S)NCCOc2ccccc2Cl)ccc1Cl 225779897 UZLDTMZHTPNGBZ-UHFFFAOYSA-N 409.260 5.378 0 40 HKAB CC(C)c1ccc(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 225803362 LAYLSRFZZPXGAV-UHFFFAOYSA-N 403.404 5.450 0 40 HKAB CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@@H](C)C2)cc1C(=O)OCC 225854129 ZONPCBFICWSRQG-HOYKHHGWSA-N 419.562 5.356 0 40 HKAB CCOc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)c2ccccc12 225919850 SYSDTCNLRJKDCZ-UHFFFAOYSA-N 409.457 5.068 0 40 HKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260817010 UKOKJOCKLRONSK-GBXCKJPGSA-N 404.595 5.111 0 40 HKAB CCOP(=O)(OCC)C(F)(F)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 306145773 PSPNZMTVPPAFNW-QGZVFWFLSA-N 403.793 6.352 0 40 HKAB CCOc1cc(C(=O)Nc2cc(F)ccc2C)cc(Cl)c1OCc1ccccc1 408624982 WJYRDEGHSHMOBH-UHFFFAOYSA-N 413.876 6.018 0 40 HKAB CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CCc2ccccc2)C1=O 409006676 KMHXMENOUGBLDL-JWGURIENSA-N 403.503 5.518 0 40 HKAB CCCc1sc(NC(=O)CCC(=O)c2ccccc2)nc1-c1cc(C)ccc1C 409205738 FKYRXRFECIJNNT-UHFFFAOYSA-N 406.551 5.981 0 40 HKAB Cc1ccc(C(=O)N/C(=C/c2cccc3ccccc23)C(=O)Nc2cccc(O)c2)cc1 727533 OINAUXBABBIDQS-PCLIKHOPSA-N 422.484 5.263 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccc(Br)c4)ccc3o2)cc1 865348 QFUFXVCMLRKDGW-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB COc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)c2ccc(Cl)cc2)cc1 937020 REJKSBQYTFWQQH-UHFFFAOYSA-N 406.821 5.341 0 40 HKAB CCCCCOc1ccc(NC(=O)[C@H](C)Oc2cccc(Br)c2)cc1 1783203 GQDLBJGFWRSECY-HNNXBMFYSA-N 406.320 5.424 0 40 HKAB CC(C)(C)c1ccc(-c2nnc3sc(-c4ccc(Cl)cc4Cl)nn23)cc1 2215000 LIEMRAZYKCOIBP-UHFFFAOYSA-N 403.338 6.124 0 40 HKAB Nn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(Cl)cc1Cl 2265118 BMRZFRMDXMJROA-UHFFFAOYSA-N 419.259 5.277 0 40 HKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)C2CCCCC2)cc1C 2435951 QFFOOERMKDKPMM-UHFFFAOYSA-N 415.537 5.344 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2)N2CCCCC2)c1C 2546347 RIBDKEJKPSIYMA-QHCPKHFHSA-N 404.579 6.193 0 40 HKAB Cc1cc(C)c(-c2csc(NC(=O)COC(=O)c3ccc(C(C)C)cc3)n2)c(C)c1 2621829 IFSIQBKSMSKZKJ-UHFFFAOYSA-N 422.550 5.654 0 40 HKAB CC(C)n1c2ccccc2c2nnc(SCc3cccc(Br)c3)nc21 2751126 GKZIKMJBDMGPQX-UHFFFAOYSA-N 413.344 5.615 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(N[C@@H](C)c4ccccc4)ncnc32)cc1 2974700 BPWLWNHYOBSARB-IBGZPJMESA-N 420.516 6.269 0 40 HKAB Cc1ccc(OCC(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1 3655394 FRQQSKAWUIJXSJ-UHFFFAOYSA-N 419.864 5.643 0 40 HKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cccc(Cl)c2)cc1 3655573 ZAHKMSAOPZXFJF-UHFFFAOYSA-N 405.837 5.578 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc2ncsc2c1 4088383 ZWCTYZTVTJYQKJ-UHFFFAOYSA-N 403.488 5.531 0 40 HKAB Cc1ccccc1[C@H]1CC(=O)c2cnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C1 4736631 MJXHSIRLYKWDGL-QGZVFWFLSA-N 401.897 5.579 0 40 HKAB O=C(Nc1ccc(F)cc1)N1CCn2cccc2[C@@H]1c1ccc(Br)cc1 4854385 UPELEOGEHPGZEZ-IBGZPJMESA-N 414.278 5.027 0 40 HKAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CN(Cc1ccccc1)C2 4948904 LRIXKAFGWSFCMY-AQTBWJFISA-N 412.514 5.551 0 40 HKAB CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 5023519 YZHRYQRTNJZSCM-HOCLYGCPSA-N 423.504 5.434 0 40 HKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(F)cc2)cc1C 5107037 WJAQGHTVCADPDY-UHFFFAOYSA-N 416.452 5.622 0 40 HKAB COc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO2)cc1 5518234 YZSZILUABQDXCL-HVSLCEISSA-N 400.931 5.290 0 40 HKAB Cc1nc2ccccn2c1P(=Nc1cc(Cl)ccc1Cl)(N(C)C)N(C)C 5581300 YQUANWRAIKGRBH-UHFFFAOYSA-N 410.289 5.061 0 40 HKAB CCCOc1ccccc1[C@H]1SCC(O)=Nc2c1c(O)nn2C1CCCCCC1 5965511 MYBRRXSNOPGAPS-HXUWFJFHSA-N 415.559 5.697 0 40 HKAB Cc1cccc(C(=O)Nc2cc(C)nn2-c2nc3ccccc3n2Cc2ccccc2)c1 6025372 ZRWTXEDDDUXCOR-UHFFFAOYSA-N 421.504 5.139 0 40 HKAB CC(C)Oc1cccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)c1 6346021 ADSKEWSYGFAJGB-UHFFFAOYSA-N 405.277 6.398 0 40 HKAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccccc1Cl 6535847 SFLFFIKQHVXOJO-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)/C=C/c2ccc(Cl)cc2)cc1 6630431 PBUWWJDAULLIRH-LFYBBSHMSA-N 420.896 5.158 0 40 HKAB Cc1ccc(C)c(N[C@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)c1 6794537 YGVFUABEYKEFHF-OAQYLSRUSA-N 407.876 6.347 0 40 HKAB COc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)cc1Cl 6825325 UYJGNIGJJQZUJG-FQEVSTJZSA-N 409.848 5.739 0 40 HKAB COc1ccc(C(C)(C)C)cc1NC(=O)CCCSc1nc2ccccc2s1 7784632 YVNUOWLSKMJHMY-UHFFFAOYSA-N 414.596 6.113 0 40 HKAB Cc1nn2c(=O)c(Cc3ccc(C(C)C)cc3)c(C)[nH]c2c1-c1ccc(Cl)cc1 8018200 YISNONXKFOVOGV-UHFFFAOYSA-N 405.929 5.674 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc3n2CCCCC3)c2ccccc2)c1 8036500 UPKANFQBFXQDCU-OAQYLSRUSA-N 406.555 5.093 0 40 HKAB Cc1ccc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)cc1NC(=O)c1ccco1 8133312 ATCCXCBCOIOARY-UHFFFAOYSA-N 416.521 5.769 0 40 HKAB C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CN2 8143844 KWVISVAMQJWJSZ-MEPOCMDBSA-N 413.646 5.287 0 40 HKAB endogenous,in-man Cc1ccccc1-n1cnnc1SCC(=O)Nc1ccccc1Oc1ccccc1 8156271 LRIMVJLXYOTUKY-UHFFFAOYSA-N 416.506 5.099 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1Cl 8273521 IVIRETOOGJSAQY-UHFFFAOYSA-N 418.324 5.195 0 40 HKAB CCC(CC)C(=O)Nc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)cc1 8782400 BAGNNCDDTCIJKB-UHFFFAOYSA-N 400.548 5.213 0 40 HKAB CCOc1c(OC)cccc1[C@@H]1CN2C(=O)c3ccccc3[C@@H]2c2[nH]c3ccccc3c21 8791300 RGWGCRLKPYTZHF-NBGIEHNGSA-N 424.500 5.266 0 40 HKAB biogenic O=C(/C=C/c1ccccc1Cl)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 9190069 PQBUQDNCVNZIAO-FOCLMDBBSA-N 421.928 5.765 0 40 HKAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(C)c3C)c3ccccn23)cc1C 9316587 UWZJRGBYHYQZJW-UHFFFAOYSA-N 411.505 5.238 0 40 HKAB O=c1c2c(-c3ccccc3)csc2ncn1Cc1csc(-c2ccc(F)cc2)n1 9376084 FEAQLFLBCLNLGP-UHFFFAOYSA-N 419.506 5.436 0 40 HKAB Cc1cc2oc(C(=O)Nc3cc(-c4ccc(F)c(F)c4)no3)c(C)c2cc1Cl 11913877 JIMAMGUBMTUUDX-UHFFFAOYSA-N 402.784 5.889 0 40 HKAB Clc1c(-c2ccc(Br)cc2)n[nH]c1-c1ccc(Br)cc1 12357692 ZCORJOGONKPSMW-UHFFFAOYSA-N 412.512 5.922 0 40 HKAB CCCn1c(C)cc(-c2csc(NC(=O)c3nc(SC)ncc3Cl)n2)c1C 12906234 CPSCJHGLYZAYGZ-UHFFFAOYSA-N 421.979 5.056 0 40 HKAB O=C(CCCSc1ccccc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 13141923 UFUGUSGJFKSWPV-UHFFFAOYSA-N 424.488 5.053 0 40 HKAB O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)Nc1cccc(F)c1 13350128 BOHCSGHDZNUSRQ-UHFFFAOYSA-N 420.469 5.812 0 40 HKAB Cc1c(C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)oc2ccc(Br)cc12 15833231 VQIKAOAMSPKEEJ-VIFPVBQESA-N 405.317 5.337 0 40 HKAB O=C(Cc1csc(-c2cccs2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1 17339722 BXWXASGQVJQGKD-UHFFFAOYSA-N 402.850 5.725 0 40 HKAB CC[C@H](C)Nc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccc(C)cc1 19898483 KRZNDBZIXXAWMG-AWEZNQCLSA-N 404.919 5.347 0 40 HKAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(CSc2ccccc2)cc1 20238822 SBRWMHBUKNKAGS-UHFFFAOYSA-N 402.346 6.216 0 40 HKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)COc4ccccc4Cl)cc3n2)cc1 20610685 RYUZBUWULYAWKB-UHFFFAOYSA-N 420.900 5.215 0 40 HKAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@H](c1ccc(CCC)cc1)c1cccs1 21407314 BPDKFBMXQMHOGT-XMMPIXPASA-N 416.546 5.033 0 40 HKAB CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 21596061 WHTSNUMAELTWLG-SDNWHVSQSA-N 420.534 5.476 0 40 HKAB CCOc1cc(CNCCc2ccccc2F)ccc1OCc1ccccc1Cl 22074468 FJEUUGDCYNMTBM-UHFFFAOYSA-N 413.920 5.789 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc3c(n2)-c2cccc4cccc-3c24)cc1Cl 35288948 FFAOTECOQHMCIL-UHFFFAOYSA-N 418.909 5.365 0 40 HKAB COc1cccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)c1 40485474 WYEXFJJTCIRTRP-RUZDIDTESA-N 413.517 5.871 0 40 HKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1c(F)cccc1Cl 44841572 IGHVXTOXTJKUPZ-SFHVURJKSA-N 416.345 5.340 0 40 HKAB O=C(CN[C@@H](c1ccccc1)c1cccs1)Nc1ccc(N2CCCCCC2)cc1 57270644 NNBODUYSYNVXCN-VWLOTQADSA-N 419.594 5.446 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)C1(c2cccc(F)c2)CCCC1 69713652 LDTHGWSZGFCNAC-UHFFFAOYSA-N 405.517 5.099 0 40 HKAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 72214925 NWSFGEGBFVATOR-FQEVSTJZSA-N 409.530 5.209 0 40 HKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1)C1CCC1 72215509 YESBUKWFMKWTMY-NRFANRHFSA-N 421.541 5.353 0 40 HKAB O=C(C1CCCC1)N1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358958 RLBCEHVJUWINCQ-KRWDZBQOSA-N 403.448 5.059 0 40 HKAB Cc1cnc(Nc2cccc([C@H]3CCCN3C(=O)CCOc3ccccc3C)n2)s1 72375619 VGDZMYWBHCNBMO-LJQANCHMSA-N 422.554 5.031 0 40 HKAB O=C(N1CCC(CSC2=NCCS2)CC1)C1(c2ccc(Cl)cc2)CCCC1 77101462 QEFQHNGGJICNKF-UHFFFAOYSA-N 423.047 5.226 0 40 HKAB CC(C)=C1[C@@H]2c3ccccc3[C@H]1[C@]1(Cl)[C@]2(Cl)C(Cl)=C(Cl)S1(=O)=O 104294190 XUKZDNARABUSEA-UAXWRAGISA-N 410.149 5.205 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1Cl 108277834 YNIZDXDYYFOMHX-UHFFFAOYSA-N 424.283 6.328 0 40 HKAB O=C(O)[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)Oc2cccc3ccccc23)[C@@H]1c1ccccc1 149621010 NVOKBONTLOAJKA-VEYUFSJPSA-N 422.480 5.643 0 40 HKAB in-vitro Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)ccc1Cl 222844411 VPIMTSJUCQTLCF-SFTDATJTSA-N 410.974 5.215 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccccc1 224087564 NMVSIIHPWMRQLG-UHFFFAOYSA-N 401.384 5.545 0 40 HKAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccccc1Cl 224134748 SETJZQVGHSGCLV-UHFFFAOYSA-N 403.812 5.458 0 40 HKAB C[C@@H](CNC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 224538462 MEKHUAPNBLOZDM-INIZCTEOSA-N 405.369 5.125 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1cc(C)cc(C)c1C 224611293 IRVCHCSJJFVDGE-UHFFFAOYSA-N 419.521 5.850 0 40 HKAB CC(C)(C)c1ccccc1O[C@@H](Cc1ccccc1Sc1ccccc1)C(=O)O 225130889 ZQPLBQZTRINSEH-QFIPXVFZSA-N 406.547 6.210 0 40 HKAB C[C@@H]1C[C@@H](C)CN(CCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)C1 225503758 XXGWLARKQLWWQF-FGZHOGPDSA-N 420.597 5.494 0 40 HKAB COC(=O)c1ccc(C)c(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)c1 225504772 YXPFSVWLVDBJIR-JOCHJYFZSA-N 404.535 5.166 0 40 HKAB O=C(Nc1cccc2ccccc12)c1snnc1-c1ccc(Br)cc1 225783292 SAQFTCZCDICTHU-UHFFFAOYSA-N 410.296 5.373 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NC2(c3cccc(C)c3)CCCC2)cc1Cl 225866525 QKRSVSVSTYRAIR-UHFFFAOYSA-N 416.974 5.581 0 40 HKAB COc1ccc(F)cc1C(=O)c1sc2nc(C(F)(F)F)c3c(c2c1N)CCCC3 257173141 DRFCRKGOPQRADA-UHFFFAOYSA-N 424.419 5.155 0 40 HKAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCCN1Cc1cccc(Cl)c1 257321335 WBETXZLRNCDPEA-QFIPXVFZSA-N 422.960 5.063 0 40 HKAB Cc1ccc(-c2nnc(CN(C)C(=O)c3ccccc3CCc3ccccc3)o2)cc1 408714127 JGOMKAXBMPCLHY-UHFFFAOYSA-N 411.505 5.102 0 40 HKAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)N1c2ccccc2Sc2ccccc21 408714691 VKFWHTUXNLXSGQ-UHFFFAOYSA-N 414.490 5.591 0 40 HKAB O=C(Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1cccnc1 408978413 ZNOBVZLNNCUSFU-UHFFFAOYSA-N 403.441 5.578 0 40 HKAB Cc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1Cl 409009117 BNOURFVBKPFGFN-MOSHPQCFSA-N 408.910 5.676 0 40 HKAB O=C(CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O)Nc1cccc2ccccc12 409360197 ZAONUCPULKZRQZ-CRBYHUFUSA-N 414.486 5.071 0 40 HKAB CCc1nc2sc(C(=O)NCc3ccc(C)cc3)c(N)c2c(C(F)(F)F)c1C 664032 ZLZAZAVMMYEXKT-UHFFFAOYSA-N 407.461 5.007 0 40 HKAB O=C(C[C@H](c1ccccc1)N(C(=O)Nc1ccccc1Cl)c1ccccc1)C1CC1 934459 WREVTSUAPYFPNT-HSZRJFAPSA-N 418.924 6.489 0 40 HKAB CN(C(=O)CC(=O)N(C)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 1401702 KJRAOCMDWCOELA-UHFFFAOYSA-N 420.123 5.316 0 40 HKAB O=c1c(-c2ccccc2)coc2cc(OCc3cc(Cl)cc4c3OCOC4)ccc12 1447947 QQSHADPIQOZCHN-UHFFFAOYSA-N 420.848 5.559 0 40 HKAB biogenic CCOc1ccc2c(c1)N(C(=O)c1ccccc1)C(C)(C)c1ssc(=S)c1-2 2068836 BFWLRWIXGDBTCI-UHFFFAOYSA-N 413.589 6.500 0 40 HKAB O=C(Oc1ccc(C2CCCCC2)cc1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 2078779 ADTHTHYRUQCEFW-UHFFFAOYSA-N 424.500 6.671 0 40 HKAB CCOc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1 2096098 CQIRYAJQJVHVLU-UHFFFAOYSA-N 419.477 5.434 0 40 HKAB biogenic CC(C)(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1 2248051 JJMBORXTRJINPB-JOCHJYFZSA-N 410.473 5.235 0 40 HKAB CCOc1ccccc1C(=O)Nc1nn(CC(C)C)c2nc3cc(C)ccc3cc12 2399593 PKKCMWBXSYNOFO-UHFFFAOYSA-N 402.498 5.200 0 40 HKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(N4CCCCCC4)ncnc32)cc1 2715186 XAVHNAYBLIHKEW-UHFFFAOYSA-N 412.537 5.867 0 40 HKAB CC1C[C@@H](C)N(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)[C@H](C)C1 2755756 AFUZUSPUDYOVQC-HUUCEWRRSA-N 416.447 5.064 0 40 HKAB O=C(Cc1sc(-c2ccccc2Cl)nc1-c1ccccc1)Nc1ccccc1 3047517 NWDOIBMYMMJMDS-UHFFFAOYSA-N 404.922 6.312 0 40 HKAB S=C(Nc1ccccc1)C1=C(N2CCCCC2)/C(=C/c2cccc3ccccc23)CC1 3179297 IFKQRNMNTBGMMJ-BSYVCWPDSA-N 424.613 7.197 0 40 HKAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)NCc2ccccc2Cl)c1C 3311298 VJIUOLOVMAXNMF-UHFFFAOYSA-N 422.912 5.174 0 40 HKAB CC1=C[C@H](C)[C@]2(COC(=O)Nc3ccccc3)CO[C@@H](CCc3ccccc3)[C@H]1[C@H]2C 4026662 XELGSXZQIKSUPR-AHTOKMNESA-N 419.565 6.101 0 40 HKAB biogenic Cc1ccc(-n2nc3c(c2NC(=O)c2c(F)cccc2Cl)CSC3)cc1C 4088828 MWVKOWGSSKQTIC-UHFFFAOYSA-N 401.894 5.281 0 40 HKAB c1ccc(C(c2ccccc2)(c2ccccc2)n2c3ccccc3c3ccccc32)cc1 4615501 DNWXQBZNVUKJFB-UHFFFAOYSA-N 409.532 7.635 0 40 HKAB CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4853977 NWBMDXWRCSBCDF-UPVQGACJSA-N 404.897 5.981 0 40 HKAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccccc1OCc1ccccc1Cl 4854630 UOBPFBVHLVPAKT-MOSHPQCFSA-N 407.828 5.403 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H]3[C@@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 4972800 RTPZRDGYMPQRKO-TYNFZPIGSA-N 414.674 7.569 0 40 HKAB CCOc1ccccc1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1 5414058 BSFTZVSPMJTTCI-UHFFFAOYSA-N 414.555 6.894 0 40 HKAB CCCCn1c(-c2ccc(OC)cc2)cn2c(-c3ccccc3)c(-c3ccccc3)nc12 5453719 XNENNMMOGAMHOX-UHFFFAOYSA-N 421.544 6.946 0 40 HKAB COc1ccc(CNSC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 5662777 QOECKKNGZZWTNW-UHFFFAOYSA-N 411.570 6.425 0 40 HKAB FC(F)(F)c1cnc(Cc2ccc(OC[C@@H]3CC3(Cl)Cl)cc2)c(Cl)c1 5674145 ADUBDCGORLEBBW-LBPRGKRZSA-N 410.650 5.917 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 6440183 OKSXUXLJZWJFQT-GOSISDBHSA-N 414.505 5.704 0 40 HKAB CCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1 6960905 VDSZHEJISIKGBX-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CN1c1ccc(Cl)cc1 7544556 TUXCLWLELDFJFJ-LJQANCHMSA-N 421.972 6.181 0 40 HKAB O=C(c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)n(C2CC2)c1)c1ccccc1O 7986579 LQXMPDXLOIGESF-UHFFFAOYSA-N 405.841 5.130 0 40 HKAB Nc1c(-c2nc(-c3ccc(F)cc3)cs2)c2ccccn2c1C(=O)c1ccccc1 8844884 ZRHOCCYJLICZPE-UHFFFAOYSA-N 413.477 5.682 0 40 HKAB CC(C)c1ccc(NC(=O)[C@@H]2CCc3sc(NC(=O)c4ccccc4)nc32)cc1 9131262 QBFATMQWUJPYRF-GOSISDBHSA-N 405.523 5.187 0 40 HKAB C[C@@H](NC(=O)c1ccccc1Cl)c1nc2ccccc2n1Cc1cccc(Cl)c1 9370220 PDQGNXYOFADOQS-OAHLLOKOSA-N 424.331 5.882 0 40 HKAB COc1ccccc1-c1noc(COc2c(Cl)cc(Cl)c3ccc(C)nc23)n1 9469299 UHTAQQUTKRGNKI-UHFFFAOYSA-N 416.264 5.488 0 40 HKAB CCc1sc(-c2nnc(CN[C@@H](c3ccccc3)c3ccc(C)cc3)o2)cc1C 9833359 FHJUIIBEKDIPNR-QHCPKHFHSA-N 403.551 5.857 0 40 HKAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1cc(Cl)sc1Cl 10421714 AWPUGZQABVAMOK-UHFFFAOYSA-N 407.326 5.292 0 40 HKAB C[C@@H](Nc1ccccc1N1CCCCC1)C(=O)NC(c1ccccc1)c1ccccc1 12796206 FJEINUGCRQUULW-OAQYLSRUSA-N 413.565 5.383 0 40 HKAB Cc1nc(CSc2ccccc2C(=O)OCc2cccc(C(F)(F)F)c2)no1 12919070 RQKUIURBYLHNHH-UHFFFAOYSA-N 408.401 5.046 0 40 HKAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)c12 12930163 FZQMFUOPVWLTDH-UHFFFAOYSA-N 419.771 5.298 0 40 HKAB Cc1c(C(=O)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)sc2cccc(F)c12 13095158 MUWTVSWVXINDBG-UHFFFAOYSA-N 422.355 5.693 0 40 HKAB O=C(Nc1ccc(OCCc2ccccc2)cc1)c1ccccc1OCc1ccccc1 14668973 CFKIXKQEYSKDQB-UHFFFAOYSA-N 423.512 6.139 0 40 HKAB Cc1ccc(NC(=O)c2ccc(OCc3csc(C)n3)cc2)c(Br)c1 14798061 RWBPMNSZYDRQRP-UHFFFAOYSA-N 417.328 5.354 0 40 HKAB COc1ccc([C@H]2C(=O)c3ccccc3N2C(=O)c2ccc(Br)cc2)cc1 16216486 JSDSVALWVILERD-FQEVSTJZSA-N 422.278 5.042 0 40 HKAB CC1CCN(c2ccc(NC(=O)c3cccc4c(Br)cccc34)cc2)CC1 16609322 CAIAZTAJHTVTRB-UHFFFAOYSA-N 423.354 6.091 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1Cl 17092532 PLJMZLIKCSPPII-UHFFFAOYSA-N 420.940 6.451 0 40 HKAB COc1ccc(-n2nc(Nc3ccc(C)c(Cl)c3)c3c2CC(C)(C)CC3=O)cc1 20797096 MUJJSQBQADOTNZ-UHFFFAOYSA-N 409.917 5.741 0 40 HKAB Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)c(C)c2cc1C 28287368 FNVLXDOHSKEYMC-NRFANRHFSA-N 410.945 5.578 0 40 HKAB Fc1ccc(C2=NN3[C@H](c4cccc(Br)c4)Oc4ccccc4[C@H]3C2)cc1 33923496 AYKVYBMKMHNTPW-IRLDBZIGSA-N 423.285 5.831 0 40 HKAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)c(Cl)c1)c1ccc(Cl)s1 36395514 LOFHEAGKOQXZTA-UHFFFAOYSA-N 417.273 5.108 0 40 HKAB CC(C)c1ccc2[nH]c(=O)c(CNc3ccc(-c4nc5ccccc5[nH]4)cc3)cc2c1 57709778 BEQTYMQJHNUBCQ-UHFFFAOYSA-N 408.505 5.807 0 40 HKAB CC[C@H](C)N(Cc1ccccc1)C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 58008300 UTAWHEOGGYYCII-FQEVSTJZSA-N 421.562 5.101 0 40 HKAB CN(C(=O)c1ccc(Oc2ccccc2)cc1)[C@H](c1cccc(F)c1)c1ccccn1 58377918 MJJBATRFVDKGOI-RUZDIDTESA-N 412.464 5.875 0 40 HKAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(COCC(F)(F)F)cc1 72277171 GFMGYHIJZLHQKW-RTWAWAEBSA-N 405.460 5.564 0 40 HKAB O=C(CCc1ccc(F)cc1)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 72350364 TYHYEQARDPYCAJ-UHFFFAOYSA-N 402.513 5.150 0 40 HKAB Cc1csc(Nc2cccc([C@@H]3CCCN3Cc3c(C)nc4c(C)cccn34)n2)n1 72375788 SQHMBABOJXWSPJ-IBGZPJMESA-N 418.570 5.192 0 40 HKAB Clc1cccc(-c2noc(CCN3CCCC[C@H]3c3nc4ccccc4o3)n2)c1 84600287 JEJPMZBYSWWVOI-SFHVURJKSA-N 408.889 5.301 0 40 HKAB CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2Br)c(Br)c1 85224784 GOLHJMJCRFQWNY-UHFFFAOYSA-N 424.220 7.474 0 40 HKAB O=C(O)C/C(=C/c1cc(Cl)c2c(c1)OCCCO2)c1nc2ccccc2s1 96891364 CIAMFKLQCJATEE-JYRVWZFOSA-N 401.871 5.126 0 40 HKAB O=C1S/C(=C/c2ccc3c(c2)CCCO3)C(=O)N1Cc1ccc(F)cc1Cl 98086326 HGQHYENEOLRSOJ-GIJQJNRQSA-N 403.862 5.041 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2)cc1OCc1ccccc1 108021609 QNOBEOZIDFMROZ-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](O)[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118932426 VMUIFEIFBPLOQQ-VKYYDZGWSA-N 404.679 6.439 0 40 HKAB CCN(C(=O)c1cccc(C(=O)N(CC)c2ccc(C)cc2)n1)c1ccc(C)cc1 149897504 UKONYWHRXCJZJA-UHFFFAOYSA-N 401.510 5.032 0 40 HKAB O=C(NCCSCc1c(Cl)cccc1Cl)C1(c2ccccc2)CCOCC1 222756723 BFWDKFPSPKYUFU-UHFFFAOYSA-N 424.393 5.091 0 40 HKAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1cc(C)cc(C)c1 224196354 CUXZFSOLLJZENM-UHFFFAOYSA-N 418.493 5.102 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1cc(C)cc(C)c1C 224279577 CKFJNYXTFNQRTK-UHFFFAOYSA-N 419.521 5.769 0 40 HKAB CSc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224964663 BMZWEALLINZXPG-UHFFFAOYSA-N 420.921 6.636 0 40 HKAB Nc1c(-c2c(Cl)cccc2Cl)c(C(F)(F)F)nn1-c1ccc(Cl)cc1 225180967 OEMAUHUQZXLRSV-UHFFFAOYSA-N 406.622 6.101 0 40 HKAB COc1ccc(C2(C(=O)Nc3ccc(OCc4ccccc4)c(C)c3)CCCC2)cc1 225532591 UOSBTNWMFOOETH-UHFFFAOYSA-N 415.533 6.033 0 40 HKAB CSc1cccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)c1 225870869 ZKOUQCDHZZFHNN-ZHZULCJRSA-N 408.548 5.188 0 40 HKAB Clc1cc(Cl)c2oc(CCCc3nc4cc(Cl)cc(Cl)c4o3)nc2c1 226248925 NVMINZRDGOVPNB-UHFFFAOYSA-N 416.091 6.758 0 40 HKAB CCOc1ccccc1Cc1ccc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)nc1 257284879 PERZELSJDJFIHF-HSZRJFAPSA-N 406.570 5.357 0 40 HKAB O=C1[C@H]2[C@H](C[C@H](c3cccs3)N2Cc2ccccc2Cl)CN1c1ccccc1 257289295 PXYMAPSXPUDPCA-NQSCKRDGSA-N 408.954 5.380 0 40 HKAB Cc1c(NC(=O)COc2ccc(C(C)C)cc2)cccc1-c1nc2ncccc2o1 408628998 ZBRCOSALEHLSFY-UHFFFAOYSA-N 401.466 5.339 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 408700213 ZPHQCNJZHFJULG-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB CCn1cc(C(=O)Nc2ccccc2Sc2ccccc2)c(=O)c2cc(C)ccc21 408713223 ONSGLKPSLHJFEY-UHFFFAOYSA-N 414.530 5.733 0 40 HKAB CCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C1=O 409074800 RSLIPHIPHWLGKI-HYARGMPZSA-N 419.502 5.484 0 40 HKAB CCCN1C(=O)/C(=C\c2cc(OCC)c(OC)cc2Br)c2ccccc21 409116203 MYVBPPMCMSPYRC-WJDWOHSUSA-N 416.315 5.154 0 40 HKAB CCCc1sc(NC(=O)CCC(=O)c2cc(C)ccc2C)nc1-c1ccccc1 409200289 REXVNXLPFFJDFU-UHFFFAOYSA-N 406.551 5.981 0 40 HKAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)c1 409200358 IDRLMAZVOQQTNV-DEDYPNTBSA-N 408.910 5.988 0 40 HKAB Cn1ccc2cc(C(=O)N3CCC4(CC3)CN(c3ccccc3)c3ccccc34)ccc21 2055745560 JUAKFTMMKYWSEK-UHFFFAOYSA-N 421.544 5.504 0 40 HKAB COCc1cc(C)nc2sc3c(c12)N[C@@H](c1ccco1)N(Cc1ccccc1)C3=O 720580 LTDBXUIYVWMTOV-OAQYLSRUSA-N 419.506 5.111 0 40 HKAB O=c1c(Oc2ccc3ccccc3c2)coc2cc(OCCc3ccccc3)ccc12 1772384 HXAOWXYWLGRCEM-UHFFFAOYSA-N 408.453 6.360 0 40 HKAB Cc1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccccc4Cl)OC3=O)cc2)cc1 2075839 FWOCHEWBKPNESA-STZFKDTASA-N 417.848 5.212 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc(Cl)cc(Cl)c1 2310860 NNYRIRISOZSFJW-UHFFFAOYSA-N 416.091 6.516 0 40 HKAB O=C(Nc1ccccc1)c1ccc(OCc2occc2C(=O)Nc2ccccc2)cc1 2329798 GTIOPWLHUCKHQZ-UHFFFAOYSA-N 412.445 5.363 0 40 HKAB COc1cccc(-c2nn(-c3ccc(C)cc3)c(-c3cccc(OC)c3)c2Cl)c1 2733520 MCDZSHSKQZSBHE-UHFFFAOYSA-N 404.897 6.185 0 40 HKAB CCOc1ccc(OCc2ccc(-c3nc4c5c(C)c(C)sc5ncn4n3)o2)cc1 2790250 UEQBZVURFHSKEY-UHFFFAOYSA-N 420.494 5.194 0 40 HKAB CCN(CC)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1 3239369 XXHUUDHAISIRGB-NTCAYCPXSA-N 411.452 5.022 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(S[C@H]3CCCCC3=O)n2Cc2ccccc2)cc1 3307705 LGQVJPNVFGXSOK-QFIPXVFZSA-N 419.594 5.895 0 40 HKAB CCOC(=O)c1c(Nc2nc(-c3ccc([C@@H](C)CC)cc3)cs2)sc(C)c1C 3320359 FJIRMMUFNOYPQN-ZDUSSCGKSA-N 414.596 6.922 0 40 HKAB Cc1ccc(C)c(NC(=S)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 3346866 OVDUCGQSHUBVQG-GOSISDBHSA-N 403.551 5.603 0 40 HKAB CCN(C(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2)c1cccc2ccccc12 3381979 LBVYWZSMQVALLK-INIZCTEOSA-N 407.535 5.236 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4F)ccc3o2)c(C)c1 3770767 RKBSTGXGCZVIFA-UHFFFAOYSA-N 419.481 5.378 0 40 HKAB O=C(C1c2ccccc2Oc2ccccc21)N1CCN=C1SCc1ccccc1F 4120567 VGXZLDTWZYLHHL-UHFFFAOYSA-N 418.493 5.195 0 40 HKAB CC(C)(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1 4185620 TUCPKJPAZZKQLE-LJQANCHMSA-N 416.502 5.297 0 40 HKAB C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(=O)NCc1ccco1 4413757 KCHUFJUGHZDSNA-MRXNPFEDSA-N 404.491 5.399 0 40 HKAB Cc1ccc2nc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)sc2c1 4741167 AZRPFZKWNSVFKU-UHFFFAOYSA-N 411.939 5.538 0 40 HKAB Cc1cccc(NC(=O)CSc2nc(Cc3ccccc3)nc3ccccc23)c1C 4936365 IPJVNDZLHXUBCY-UHFFFAOYSA-N 413.546 5.568 0 40 HKAB CCCCSc1nnc2n(CCCC)c3c(c(=O)n12)[C@](C)(CC)Cc1ccccc1-3 5063922 VJYHVSFTKJBEPD-XMMPIXPASA-N 424.614 5.474 0 40 HKAB CCOC(=O)[C@@H](c1ccccc1)C(Cc1ccccc1)(c1ccccc1)c1ccccc1 5575336 JJUANGHYYVYICO-MUUNZHRXSA-N 420.552 6.562 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)cc1 5815153 JIRHZPHCRZZCQP-WUXMJOGZSA-N 418.880 6.117 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1Cl 5874050 BYTINVAFEYIVDH-UHFFFAOYSA-N 414.288 5.875 0 40 HKAB Cc1ccc2nc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)sc2c1 6276203 XWIOEQZVSATHHU-UHFFFAOYSA-N 403.290 6.424 0 40 HKAB CCc1oc2ccccc2c1CN(C)C(=O)c1cccc(OCc2c(C)noc2C)c1 8326655 YEKORQVOUGKGFE-UHFFFAOYSA-N 418.493 5.451 0 40 HKAB O=C(CCc1ccsc1)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 8390337 WOKRSVSVVBISTL-LJQANCHMSA-N 408.954 5.764 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1 9036688 SJWXCVBPDNFMRB-UHFFFAOYSA-N 402.494 5.028 0 40 HKAB COCc1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1-c1ccc(Cl)cc1 9261052 BZERHFUDNSRLSU-UHFFFAOYSA-N 423.847 5.943 0 40 HKAB Cc1cc(-c2nc3cccnc3s2)ccc1NS(=O)(=O)c1ccccc1Cl 9278524 SBDQKDRTANCLAU-UHFFFAOYSA-N 415.927 5.121 0 40 HKAB COc1cccc(-c2nc(Oc3ccc(-c4ccccc4)cc3)c3ccccc3n2)c1O 9345724 HTXUPWFGFJGURA-UHFFFAOYSA-N 420.468 6.470 0 40 HKAB Cc1nnc(SCC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)n1C1CC1 9368479 LHSAVXWXKLSZIR-UHFFFAOYSA-N 421.570 5.199 0 40 HKAB CSc1nc2ccc3nc(NC(=O)CCSc4ccccc4)sc3c2s1 9404751 UXLVDQVRBWHMMY-UHFFFAOYSA-N 417.606 5.749 0 40 HKAB Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2Cl)cc1 9427592 ACWQHVCLTWVEKB-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB Cc1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cccc1-c1nc2ncccc2o1 9492322 ORVOMNYDUXAXCL-UHFFFAOYSA-N 419.309 5.146 0 40 HKAB Clc1ccc(-c2ccc(C3=Nn4c(nnc4-c4ccco4)SC3)o2)cc1Cl 9594018 SRTYOSBJBGUUSI-UHFFFAOYSA-N 417.277 5.463 0 40 HKAB O=C(NCc1ccccn1)/C(=C/c1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1 9631108 BNEIEAWEKJNCIU-LFIBNONCSA-N 423.303 5.122 0 40 HKAB C[C@@H](NC(=O)CSc1nncn1-c1cccc(Cl)c1)c1cccc2ccccc12 9847565 IOVPGRFUCOTYQB-OAHLLOKOSA-N 422.941 5.043 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1SCc1cscn1 12845078 ZJDZZHMOYLDLJG-UHFFFAOYSA-N 418.543 6.480 0 40 HKAB Cc1ccc(-c2ccsc2C(=O)O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 14186207 HLFFGVATOOBTOX-HNNXBMFYSA-N 413.926 5.239 0 40 HKAB O=C(CCc1nc(-c2ccncc2)no1)Nc1ccc(Oc2ccccc2Cl)cc1 14366886 OHSGOUGFCFBIES-UHFFFAOYSA-N 420.856 5.149 0 40 HKAB CCN(CC)c1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)cc1 15786516 WIZQWZHAIOZHEQ-UHFFFAOYSA-N 422.529 5.609 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1cc2ccccc2oc1=O 16525600 DINYGNZWFJRYGL-UHFFFAOYSA-N 416.820 5.507 0 40 HKAB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Cl)cc1Cl 17090469 FEUAXWDSBRCJHL-UHFFFAOYSA-N 416.087 6.917 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2ccc(Oc3ccc(F)cc3)c(C(F)(F)F)c2)c1 20345255 YRVYZJXKSGSIHT-UHFFFAOYSA-N 403.375 6.506 0 40 HKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)o3)sc2c1 20411511 GFRUULRCXNOMQJ-UHFFFAOYSA-N 420.490 5.766 0 40 HKAB CCCOc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1 20466942 RMSCEDXYMIQKGI-UHFFFAOYSA-N 400.478 6.153 0 40 HKAB C[C@H](Sc1ncnc2scc(-c3ccc(F)cc3)c12)C(=O)NC1CCCC1 21120450 PCHAVAWAHFFSDB-LBPRGKRZSA-N 401.532 5.037 0 40 HKAB c1ccc(-c2nnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)s2)cc1 24052541 PXUPOASEQYZIQA-UHFFFAOYSA-N 412.562 5.117 0 40 HKAB CCOc1cc(/C=C2\SC(=S)N=C2O)cc(Cl)c1OCc1ccccc1 33701314 QRFJAYNZZJELSU-YBEGLDIGSA-N 405.928 5.647 0 40 HKAB COc1ccc(Cl)cc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 37210469 STASXNQJSJHXIV-FQEVSTJZSA-N 418.971 5.058 0 40 HKAB CC(C)c1cccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC(=O)N4)o2)c1 40145002 GJMVLIKHWYXKRO-UHFFFAOYSA-N 404.466 5.119 0 40 HKAB CCOc1ccc(NC(=O)Cn2c(Cc3ccc(Cl)cc3)nc3ccccc32)cc1 40306239 PIOAQPJIGFQWKL-UHFFFAOYSA-N 419.912 5.318 0 40 HKAB Cc1cc(C)c(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c(C)c1 44786872 FITBYXIWBFODFV-KRWDZBQOSA-N 405.369 5.769 0 40 HKAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(Cl)cc4)ccc32)cc1 46078563 GZRRWMYWBZKFGZ-UHFFFAOYSA-N 404.897 5.494 0 40 HKAB COc1ccc2cc(CN(C)[C@H](C)c3nc(N)c4c(C)c(C)sc4n3)ccc2c1 57358606 IURSMCJPHHWGJA-CQSZACIVSA-N 406.555 5.245 0 40 HKAB CCOCCCn1c(SCc2ccccc2C(F)(F)F)nc2ccccc2c1=O 67259189 ABTOKWZNDNFOAX-UHFFFAOYSA-N 422.472 5.134 0 40 HKAB O=c1c2cc(-c3cccc4ccccc34)nn2ccn1Cc1ccc(F)cc1Cl 67260759 XYMXDPSJYXTVJN-UHFFFAOYSA-N 403.844 5.157 0 40 HKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1CC1 72215411 QHKVLRRRHVIRBB-SFHVURJKSA-N 417.550 5.448 0 40 HKAB COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(-c4ccc(F)cc4)n3)C2)cc1 72349343 ZZWWINVCWIGNSW-NRFANRHFSA-N 418.512 5.235 0 40 HKAB CC(=O)N1CCCCC[C@@H]1Cc1c(C(=O)N2CCC(C)CC2)sc2ccccc12 72370816 ZISLVFXGJBYPEP-LJQANCHMSA-N 412.599 5.107 0 40 HKAB CC1=C[C@@H](CNCc2ccccc2F)[C@H](C(C)C)C[C@H]1Cc1nc2c(C)cccc2[nH]1 77262176 QYZLKNCISDIAQO-VABKMULXSA-N 419.588 6.197 0 40 HKAB biogenic,in-vitro CCOc1cc(CNc2cc(C(=O)O)ccc2C)ccc1OCc1ccccc1C 95472041 JPJWNPYIOZRSJP-UHFFFAOYSA-N 405.494 5.591 0 40 HKAB CCCCCc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCCC)CC3)cc2)cc1 100003581 QIEMVWGALIVVIT-QUPDYRNUSA-N 406.610 8.103 0 40 HKAB CCOCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 100406751 AVXULQZSPUSULE-ZGTHKHSNSA-N 404.554 5.140 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 219031161 PJEPZMRBACQFQZ-ZHRRBRCNSA-N 405.494 5.034 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1C1CCCCC1 223120189 IRKSUCPJBUJCMD-XZOQPEGZSA-N 402.567 5.178 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccc(C)cc1 224129739 INYPIRCWRWBHCK-FQEVSTJZSA-N 403.522 5.334 0 40 HKAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccc2ccccc2c1 224313681 ZAEXABBIGMEYTK-UHFFFAOYSA-N 419.427 5.958 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccccc1Cl 224477246 CUQPBYNWMHTEGF-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3OC)o2)c1 224900905 ZGBJRPDQLZOWBP-UHFFFAOYSA-N 400.434 5.278 0 40 HKAB Cc1ccc(CN(C(=O)CCc2cccc3ccccc23)[C@H](C)C(=O)NC(C)C)cc1 225533027 QBYYKRKTUIWXLX-OAQYLSRUSA-N 416.565 5.023 0 40 HKAB C[C@@H](O)c1ccc(C2(CNC(=O)c3csc(-c4ccccc4)n3)CCCC2)s1 225681924 ZWMFMPBRXLHUQF-OAHLLOKOSA-N 412.580 5.167 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)c(C)n1 225877262 XNNPENKINFKDQN-UHFFFAOYSA-N 423.340 5.173 0 40 HKAB CCOc1cc(CNc2cccc(C(=O)O)c2)ccc1OCc1cccc(Cl)c1 408607220 JCQFAKNZVVXZGJ-UHFFFAOYSA-N 411.885 5.628 0 40 HKAB O=C(Nc1ccccc1C(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1Cl 408615288 OKGBHGXYTIRQLN-UHFFFAOYSA-N 417.267 5.315 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)cc1 408695529 REMGFBILBNKLRB-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1cccc(CSc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c1 408750384 MDWGFXULHADRQG-ROUUACIJSA-N 422.575 5.577 0 40 HKAB Cc1cccc(-n2c(SCC(=O)N3[C@@H](C)CCC[C@H]3C)nnc2-c2ccccc2)c1 409093831 APSAKCVBIDVWHU-KDURUIRLSA-N 420.582 5.124 0 40 HKAB CC(=O)Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c1 409173432 NBLOQHNJXPYMPQ-JOCHJYFZSA-N 407.853 5.079 0 40 HKAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl 409196944 SVZSDGAKTLQBIS-UHFFFAOYSA-N 424.393 6.133 0 40 HKAB O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1c1cccc(Cl)c1 409216650 NFCIXUFHOIEHIX-DEDYPNTBSA-N 407.878 6.373 0 40 HKAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(Cl)cc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409361076 PXIHXRKWXNJXEQ-WTANOLMUSA-N 416.871 5.255 0 40 HKAB COc1ccc(-c2csc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)n2)cc1 646393 ORQHQSUCABGKTQ-ZDUSSCGKSA-N 402.903 5.187 0 40 HKAB Cc1ccc(C(=O)NCC(C)(C)Sc2ncc(C(F)(F)F)cc2Cl)cc1 1392572 WDUUDTGTDAOCEI-UHFFFAOYSA-N 402.869 5.363 0 40 HKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)COc4ccc(C)c(C)c4)c3)nc2c1 1413928 LUERFAHHABROHI-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c3ccccc3n2)cc1 1579735 IZBMXOAQCSAWPJ-UHFFFAOYSA-N 423.299 6.470 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cccc(OCc2ccccc2)c1 2061963 BHDYZLOXWVIHSK-UHFFFAOYSA-N 420.468 6.326 0 40 HKAB COc1cc(C(=O)N(C)C(c2ccccc2)c2ccccc2)ccc1OCC(C)C 2646587 OGIAFCYUZDIKEH-UHFFFAOYSA-N 403.522 5.592 0 40 HKAB CCc1ccc(-c2cc(C(=O)NCCc3ccc(OC)cc3)c3ccccc3n2)cc1 2741884 XTFUKSNENBMUPM-UHFFFAOYSA-N 410.517 5.445 0 40 HKAB biogenic CC[C@@H]1CCc2c(sc(NC(=O)c3ccc(Br)cc3)c2C(=O)OC)C1 2742109 KWNWZXRRKOPJLV-LLVKDONJSA-N 422.344 5.064 0 40 HKAB O=C(C[C@H](c1ccccc1)[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 3107150 DCHYDZKWRVSCIG-IXCJQBJRSA-N 404.509 6.710 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)c1ccccc1OCc1ccccc1Cl 3289464 DASBMEPUEYDQNU-UHFFFAOYSA-N 413.904 6.838 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2cccc(C)c2C)sc2c1CC[C@H](CC)C2 4558419 HCKVUXZRMSTOPB-INIZCTEOSA-N 415.555 5.074 0 40 HKAB CCCCCC[C@H](C)NC(=O)CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 4742924 RJDOYMNHOACIKQ-BVZFJXPGSA-N 417.553 5.188 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)c1 4832503 CJWGSCVVKVJPRL-UHFFFAOYSA-N 400.482 5.160 0 40 HKAB O=c1c([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)coc2ccc(F)cc12 4844434 GZIHAWSJLXDPJM-PXDATVDWSA-N 412.420 5.174 0 40 HKAB COc1ccc(-c2cncnc2-c2ccc(OCc3ccccc3Cl)cc2O)cc1 5451391 UYFQBCLVEAXHPJ-UHFFFAOYSA-N 418.880 5.757 0 40 HKAB biogenic Cc1ccc(-c2cn3cc(-c4ccc(Br)cc4)c4c3n2CCCC4)cc1 6032783 SAMOUELICGZYGV-UHFFFAOYSA-N 405.339 6.482 0 40 HKAB CCc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccc(Cl)c(C)c3n2)cc1 6489962 LUBWXCVQXBNDNP-UHFFFAOYSA-N 404.897 5.949 0 40 HKAB O=C(NCC1(N2CCCCC2)CCCCC1)C1c2ccccc2Oc2ccccc21 6600327 UFRVDIZWUNJLSU-UHFFFAOYSA-N 404.554 5.229 0 40 HKAB COc1c(C)cccc1C(=O)Nc1nnc(SCc2ccccc2Cl)s1 6668470 DWBKUUVRTAMMOY-UHFFFAOYSA-N 405.932 5.053 0 40 HKAB C#CCn1cc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)c2ccccc21 6960661 KYIXZRSRDQUISS-UDWIEESQSA-N 405.910 5.128 0 40 HKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1 6960911 OTWXWIDIDNVBCM-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)cc1 7080020 BISUGIKJYFOQCU-INIZCTEOSA-N 422.481 5.072 0 40 HKAB Cc1cc(C(=O)COC(=O)c2ccc(C3SCCCS3)cc2)c(C)n1C1CC1 7496366 CECOHSUHALJCBE-UHFFFAOYSA-N 415.580 5.348 0 40 HKAB C[C@H](NCc1ccc(-c2cc(Cl)ccc2Cl)o1)C12CC3CC(CC(C3)C1)C2 7524447 HQALOAAXMIISOJ-NSDYXAQKSA-N 404.381 6.948 0 40 HKAB Cc1csc(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)n1 7985631 CHKGMYLNCRYYPQ-UHFFFAOYSA-N 402.928 5.067 0 40 HKAB Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(C3SCCS3)cc2)c1 8404062 REQKTXMKYZJNIX-UHFFFAOYSA-N 405.588 6.321 0 40 HKAB C[C@H](NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccco1 8527266 ZNOQSTMQKPKTDY-INIZCTEOSA-N 404.491 5.571 0 40 HKAB O=C(c1csc(-c2ccc(F)cc2)n1)N1CCC(c2nc3ccccc3s2)CC1 9751423 VGOBHMQGRUEOIU-UHFFFAOYSA-N 423.538 5.579 0 40 HKAB O=c1c(CN2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)coc2ccccc12 12185701 JYSPBWPEHSHMOS-JOCHJYFZSA-N 418.468 5.704 0 40 HKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@@H](c2ccc(Cl)cc2)N1 12500526 MCQWJTZGHRPYDH-OAQYLSRUSA-N 417.921 5.872 0 40 HKAB COc1ccc(NC(=O)c2ccc(N[C@H](C)C(=O)Nc3cccc(Cl)c3)cc2)cc1 12554253 NYKOUMODJAJEHJ-OAHLLOKOSA-N 423.900 5.040 0 40 HKAB CSc1ccc(NC(=O)CCc2nnc(-c3cccc(C(F)(F)F)c3)o2)cc1 12825036 NUVYCPIGLDUHFE-UHFFFAOYSA-N 407.417 5.049 0 40 HKAB CCCn1c(-c2ccc(Cl)cc2)nn(CN2CCc3sccc3C2)c1=S 12931670 CJTAOLDNFFGUJD-UHFFFAOYSA-N 404.992 5.222 0 40 HKAB CC[C@@H]1CCc2sc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)cc2C1 13110078 FIQPUFGHYDKWJQ-GFCCVEGCSA-N 420.460 5.115 0 40 HKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 14022810 RZKHVDQKCKTIAG-YADARESESA-N 416.521 5.282 0 40 HKAB COc1ccc([C@H](CNC(=O)c2oc3ccc(C)cc3c2C)N2CCCCC2)cc1 15952787 DMZGRAIMZVQKKA-QFIPXVFZSA-N 406.526 5.015 0 40 HKAB CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(C)c4)nccn3n2)cc1 16841642 YRSLLXFSMLAVJG-UHFFFAOYSA-N 416.550 5.306 0 40 HKAB CN(C)c1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN2C(=O)CC2CCCC2)n1 19689417 HDAKQVYTWALMEW-HXUWFJFHSA-N 412.965 5.107 0 40 HKAB CCOc1ccc(CCCNC(=O)[C@H](CC)Sc2ccc(Cl)cc2)cc1OC 20484284 TVKJHRPXGKOUIF-NRFANRHFSA-N 421.990 5.367 0 40 HKAB Cc1nc(NC(=O)c2ccccc2C(F)(F)F)sc1Cc1ccc2c(c1)OCO2 22921995 QAGMVEZPMMXRHN-UHFFFAOYSA-N 420.412 5.042 0 40 HKAB O=C(Nc1cccc(NC(=O)c2ccccc2SC[C@H]2CCCO2)c1)c1ccco1 23200872 JSLPIAGVGWJJNG-GOSISDBHSA-N 422.506 5.055 0 40 HKAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)c1ccccc1Br 24876692 KDBQIFHEUXIOOE-OAQYLSRUSA-N 406.279 5.715 0 40 HKAB COc1ccc(NC(=O)Cc2csc(COc3ccc(C(C)(C)C)cc3)n2)cc1 27912498 YJUKRMNAIICZFI-UHFFFAOYSA-N 410.539 5.209 0 40 HKAB Cc1sc2nc([C@@H](C)SCCC(=O)Nc3cccc(Cl)c3)[nH]c(=O)c2c1C 32778742 DDDYMHLCXBPKIH-GFCCVEGCSA-N 421.975 5.078 0 40 HKAB COc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1OCc1cccnc1 32832197 BSFSLHVPTKBLGL-UHFFFAOYSA-N 403.265 5.228 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 34169038 YMMFNKXZULYSOQ-UGQNCKOESA-N 420.678 5.554 0 40 HKAB biogenic,in-vitro CCOc1ccc(-c2csc(-c3nnn(-c4ccc(OCC)cc4)c3C)n2)cc1 38652112 LNTCFJKHYBAFCR-UHFFFAOYSA-N 406.511 5.164 0 40 HKAB Cc1ccc(-c2nc(CN[C@@H](c3ccccc3)c3ccc(OC(F)F)cc3)no2)cc1 40058863 JYPOJFQSVPHWIA-QFIPXVFZSA-N 421.447 5.526 0 40 HKAB COc1cc([C@@H](C)NC(=O)c2ccccc2C(F)(F)F)ccc1OC1CCCC1 40121433 LKJAHBBDTILVPD-CQSZACIVSA-N 407.432 5.526 0 40 HKAB COc1ccc([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 44933155 WPSDYLYZVFCUGS-YJBOKZPZSA-N 421.368 5.091 0 40 HKAB Cc1occc1C(=O)Nc1cc(NC(=O)N2CCC[C@@H]2c2ccsc2)ccc1F 46011604 JZAYZPLJTGDPFG-LJQANCHMSA-N 413.474 5.410 0 40 HKAB COc1cccc(Cn2c(SCc3cccc(C)c3)nc3ccccc3c2=O)c1 67258755 PAVZYYSDLAIKNH-UHFFFAOYSA-N 402.519 5.054 0 40 HKAB Cc1ccc(C)c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1 67294459 AICWYWIJLSCEPJ-PNHLSOANSA-N 402.881 6.188 0 40 HKAB CCCc1cc(-c2nc(C)c(C(=O)Nc3nc(-c4ccncc4)cs3)s2)ccn1 71279654 QCJSORGCLPEENN-UHFFFAOYSA-N 421.551 5.237 0 40 HKAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCCN2C(=O)CCc2ccccc2)n1 72376909 CODFBEYUMQMPOL-OAQYLSRUSA-N 420.944 5.066 0 40 HKAB O=C(NCC(O)(c1cccs1)c1cccs1)c1ccccc1Oc1ccccc1 90617203 UBYQBPNEJKDUKM-UHFFFAOYSA-N 421.543 5.268 0 40 HKAB Cc1cc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)c2c(C)ccc(C(C)C)cc1-2 96021663 OQWCLSJBQNJHTK-SRZZPIQSSA-N 413.473 5.605 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1Cl 218937836 MAGHFXWTJDLXMN-UHFFFAOYSA-N 409.957 6.134 0 40 HKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc3ccccc3c2)S1 222628470 MNZMNIMDYLRJHC-CQLNOVPUSA-N 410.546 5.615 0 40 HKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(OCC)cc2)o1 222982244 OWBMVOCVNLRCMJ-XZOQPEGZSA-N 421.566 5.513 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1ccc(C)cc1 224122994 BISGPMPZFJBVAX-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccccc1C 224370327 RMJFQRZFRPLQTD-UHFFFAOYSA-N 409.913 5.556 0 40 HKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C(C)C 224429849 QTYHDENAYPZZJC-YADHBBJMSA-N 408.546 5.397 0 40 HKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 224449383 GXBHODVPQVVLAK-GOTSBHOMSA-N 420.557 5.705 0 40 HKAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1ccccc1Cl 224885272 AAFOKFYURFPDIY-UHFFFAOYSA-N 405.679 5.329 0 40 HKAB COC(=O)c1cc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1Cl 225406488 MVQKCSQTUSKCEN-ZDUSSCGKSA-N 404.963 5.472 0 40 HKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225840765 AOFZNNHFDVVDNE-GAJHUEQPSA-N 407.551 5.211 0 40 HKAB Cc1ccc(Oc2c(F)cccc2O[C@@H]2CCC[C@@H](NCc3ccccc3)[C@H]2O)cc1 257227154 FNYBMYVOKSGEPJ-VDKIKQQVSA-N 421.512 5.377 0 40 HKAB Cc1ccc(COc2cccc([C@@H]3SCC(=O)N3c3ccc(Cl)cc3)c2)cc1 408558907 WOKDCTVMOZFZTJ-QHCPKHFHSA-N 409.938 6.006 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccc(C)cc2C)cc1 408695714 SIOGAVDZDGMJAO-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(F)cc2)cc1C 408697217 GEKJYECBBGLCNR-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1cccc(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3)n2)c1 408724066 DNMJFZVFSAXNSO-UHFFFAOYSA-N 403.485 6.253 0 40 HKAB COc1ccc(COc2ccc(-c3nc(O)c4c(C)c(C)sc4n3)cc2OC)cc1 408734782 JTFINZJKUYXSDF-UHFFFAOYSA-N 422.506 5.277 0 40 HKAB CCOc1cccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c1 408808187 DZMUMMOCRFKLJJ-XDQGBWCSSA-N 421.586 6.139 0 40 HKAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccccc1OCc1ccccc1F 409108068 UVOYZVVQTKTKLU-WQRHYEAKSA-N 413.370 5.916 0 40 HKAB O=C1S[C@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccccc1 409161220 KZWNSHYFVOPNKU-JOCHJYFZSA-N 403.503 5.072 0 40 HKAB COc1ccc(-c2noc([C@@H](NC(=O)c3cccc4ccccc34)C(C)(C)C)n2)cc1 526052444 ONICIOIOQZCMRD-OAQYLSRUSA-N 415.493 5.416 0 40 HKAB COc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc(OC)c1OC 804900 JFQRCLUJYNSRMF-UHFFFAOYSA-N 420.490 5.241 0 40 HKAB Cc1cc(C)c(C)c(Oc2coc3cc(O[C@@H](C)C(=O)OC(C)C)ccc3c2=O)c1 957227 IBJZFVSPSWMQOW-KRWDZBQOSA-N 410.466 5.229 0 40 HKAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccc(Cl)s2)nc2ccccc12 996512 UVBNOUTXISHANI-UHFFFAOYSA-N 422.893 5.640 0 40 HKAB CCCc1nc2sc3c(NCc4ccco4)nc(SC)nc3c2c2c1CCC2 2413758 XFWPNNUWFZRWKT-UHFFFAOYSA-N 410.568 5.608 0 40 HKAB Cc1nc(N[C@H](C)c2ccccc2)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 2443749 YZRPXKGDVWTESK-CYBMUJFWSA-N 404.539 5.572 0 40 HKAB COc1cccc(CC(=O)N(c2nc3ccccc3s2)c2c(C)cccc2C)c1 2630803 DYZMSSTZJQHPTM-UHFFFAOYSA-N 402.519 5.829 0 40 HKAB Cn1c(Sc2ncnc3scc(-c4ccccc4)c23)nnc1-c1ccccc1F 2639053 FTZZCIXAEUZUJF-UHFFFAOYSA-N 419.510 5.444 0 40 HKAB CCc1c(C)sc2ncn3nc(-c4ccc(COc5ccc(Cl)cc5)o4)nc3c12 2808966 IYRVAEQRWPCSDL-UHFFFAOYSA-N 424.913 5.702 0 40 HKAB O=C(Nc1ccc(F)cc1)c1sccc1SCc1c(Cl)cccc1Cl 3047272 KWGHURNXMIEXEK-UHFFFAOYSA-N 412.338 6.739 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccccc1)Cc1ccccc1 3194599 ZATPICHMPPHLES-UHFFFAOYSA-N 400.305 5.601 0 40 HKAB CCCCCCn1c(SCc2cccc(F)c2)nnc1-c1c[nH]c2ccccc12 3285951 AECPXJGDGKVPGM-UHFFFAOYSA-N 408.546 6.438 0 40 HKAB C[C@H]1C[C@@H](OC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]2C=C(Cl)C=C[C@@H]2S1 4110329 PCCPROCGFPNVMC-LTTZEQNMSA-N 403.853 5.825 0 40 HKAB Cc1ccccc1CSC1=NCCN1C(=O)Cc1ccc(-c2ccccc2)cc1 4120044 BIWGSMSLRHBFGC-UHFFFAOYSA-N 400.547 5.336 0 40 HKAB Cc1cc2c(C)ccc(C)c2nc1SCC(=O)Nc1ccccc1C(F)(F)F 4169260 MQJYQFRGLYKYPW-UHFFFAOYSA-N 404.457 5.910 0 40 HKAB CC(C)(C)N1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)CC1=O 4386031 QXNVMVSCDJDXIY-HNNXBMFYSA-N 416.352 5.506 0 40 HKAB O=C(CCCCCCCCC(=O)SCc1ccccc1)SCc1ccccc1 4428965 OTZYWJZVECMRKS-UHFFFAOYSA-N 414.636 7.027 0 40 HKAB Cc1csc(SCc2cc(=O)c(OC(=O)c3ccc(C(C)(C)C)cc3)co2)n1 4518817 RWAXQYSPLBMOIS-UHFFFAOYSA-N 415.536 5.214 0 40 HKAB O[C@]1(C(F)(F)F)[C@@H]2CCCCCC2=NN1c1nc(-c2ccc(Cl)cc2)cs1 5275054 PMFZIXADCAPVCH-DYVFJYSZSA-N 415.868 5.471 0 40 HKAB Cc1cccc2c(=O)c(-c3ccc(Cl)cc3)c(NC(=O)c3ccccc3F)oc12 5452124 QKALFQVFTKEYIE-UHFFFAOYSA-N 407.828 5.813 0 40 HKAB O=C(Nc1ccc(F)cc1)[C@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1 6035363 OUCDJXWHCNCBEI-QGZVFWFLSA-N 410.499 5.144 0 40 HKAB COc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1OC 6441727 CXYMKVNSBUIAJD-UHFFFAOYSA-N 407.249 5.628 0 40 HKAB Cc1cc(OCC(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)ccc1Cl 6471274 AICUHKGLBNYQEK-UHFFFAOYSA-N 401.702 5.582 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)c1 6473254 WCOYFNARYSAEFS-UHFFFAOYSA-N 409.338 6.052 0 40 HKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)NCC(=O)Nc3c(C)cccc3C)c2c1 6601461 NJGKWHQBBFVIRW-UHFFFAOYSA-N 423.516 5.196 0 40 HKAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)c1c[nH]c2ccccc12 7844461 ABZGHQWLVLAMDI-CYBMUJFWSA-N 408.552 5.110 0 40 HKAB Cc1ccc(NC(=O)[C@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)cc1 8132102 WLVGIDSBLKOAIQ-GOSISDBHSA-N 406.536 5.314 0 40 HKAB Cc1ccc(-c2csc3ncnc(SCC(=O)N(C)Cc4ccco4)c23)cc1 8268822 PYTDDDFZGOXALN-UHFFFAOYSA-N 409.536 5.010 0 40 HKAB S=c1sc(SCc2nnc(-c3ccccc3)o2)nn1-c1ccc(Cl)cc1 9465160 CYWHIQCDRMKHER-UHFFFAOYSA-N 418.956 5.659 0 40 HKAB COc1ccc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1OC 12784493 ORRYMKFJSVAUER-UHFFFAOYSA-N 422.510 5.010 0 40 HKAB Cc1ccc2cccc(OC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)c2n1 13114333 JNFDXOCUENIHGZ-UHFFFAOYSA-N 419.933 6.708 0 40 HKAB Cc1ccc(-c2nn(Cc3ccccc3)c(-c3ccc(C)cc3)c2Br)cc1 13960576 AKCPYLLROXDWOI-UHFFFAOYSA-N 417.350 6.645 0 40 HKAB O=C(NCCSc1ccccc1)c1ccccc1-c1ncc(-c2ccccc2)o1 15833527 CEERTVGKFAEXIA-UHFFFAOYSA-N 400.503 5.531 0 40 HKAB O=C(NC(=S)N(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 16493046 RHVBLXKJHKVBJS-UHFFFAOYSA-N 408.526 6.207 0 40 HKAB Cc1ccc(S[C@H]2CSc3nc(=O)c4ccccc4n3[C@@H]2c2ccccc2)cc1 16779199 YQXXHWROHMBPHM-FCHUYYIVSA-N 416.571 5.561 0 40 HKAB CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 17088329 IQADLKADQGRGJJ-UHFFFAOYSA-N 409.555 5.651 0 40 HKAB c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCCN3Cc3ccncc3)n2)cc1 19373054 NUWYGFWDPUQZRA-XMMPIXPASA-N 422.536 5.404 0 40 HKAB Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(Cc3cnn(C)c3C)CC2)n1 19691580 FFGWAJRUHSABLQ-UHFFFAOYSA-N 408.977 5.056 0 40 HKAB Cc1ccccc1[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccccc1 20048811 FOPLFFYHVQPLOX-MHZLTWQESA-N 423.581 6.807 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(C(=O)c2ccccc2Cl)CC1 20612009 QVKQPZDSUXMGTG-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB NC(=O)c1cc(Cl)ccc1OCc1csc(-c2ccc(C(F)(F)F)cc2)n1 22519368 GLOWWXPAMTYQFD-UHFFFAOYSA-N 412.820 5.160 0 40 HKAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(Cl)c(N2CCCC2=O)c1 23785807 OCWIWBHITKPBQE-UHFFFAOYSA-N 411.716 5.046 0 40 HKAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccccc1Oc1ccccc1Cl 25057501 XSKDWAUKMCPAHX-UHFFFAOYSA-N 424.909 6.338 0 40 HKAB Cc1ccc2nc(Sc3ccccc3)c(/C=C3/N=C(c4ccccc4)OC3=O)cc2c1 27572989 AHKVESBFWMFEDE-XQNSMLJCSA-N 422.509 6.039 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccccc3)N3CCCCC3)sc2c1 28292467 UANUJAHCIKIGMK-IBGZPJMESA-N 412.986 5.820 0 40 HKAB O=C(N[C@H](Sc1nc2ccccc2s1)C(Cl)(Cl)Cl)c1ccccc1 28293978 XGHLPPVQQUSRIQ-CQSZACIVSA-N 417.770 5.515 0 40 HKAB Cc1ccccc1[C@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccccc1 30757826 SDOIJXFBOUMSLZ-OAQYLSRUSA-N 420.361 5.511 0 40 HKAB Cc1ccc(-c2nc(NC(=O)c3ccccc3C)sc2NC(=O)c2ccco2)cc1 35671431 SFQPQAYHCJWLLT-UHFFFAOYSA-N 417.490 5.525 0 40 HKAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccccc1CCc1ccccc1 44875024 TYAJCLWPUSXKJI-UHFFFAOYSA-N 412.577 5.388 0 40 HKAB Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N[C@@H](C)c1ccccc1 58439763 QADHYJBIIRQSOF-ZDUSSCGKSA-N 416.905 5.592 0 40 HKAB CCc1nc(COc2cc3ccccc3cc2C(=O)Nc2ccccc2C)cs1 58440102 VXMFKFPUSUUTLM-UHFFFAOYSA-N 402.519 5.998 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2C(F)(F)F)c(F)c1)N1CCCSCC1 65477850 WEMVXZZHCIXJOI-UHFFFAOYSA-N 414.424 5.608 0 40 HKAB CC(=O)N1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215777 ILSJVKTXUMMQLK-FQEVSTJZSA-N 401.551 5.229 0 40 HKAB CCCCSc1nnc(NC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)s1 80344172 ZKNMGDYAQGMQKC-QWHCGFSZSA-N 402.372 5.479 0 40 HKAB CC[C@H](NC(=O)CSc1nnc(Nc2cccc(C)c2)s1)c1ccc(C)cc1 89947806 GLZGETXHSKWWMU-SFHVURJKSA-N 412.584 5.258 0 40 HKAB C[C@@H](NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)c1ccccc1 100445108 XNNKGCDSEUJRMR-OAHLLOKOSA-N 423.310 5.192 0 40 HKAB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1 113395195 LGKNPBJEUPHWHF-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB O=C(O)/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)Sc1nc2ccccc2o1 211505938 JZIQPVAVMNZMKW-WQRHYEAKSA-N 407.403 5.004 0 40 HKAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 222688597 NQGTWQLUAIMVCN-UHFFFAOYSA-N 404.963 5.379 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 222752806 BMBLWCRPWSYXJT-FQEVSTJZSA-N 403.507 5.463 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc2c(c1)oc1ccccc12 223443495 XZTNLAOLCJEFPN-UHFFFAOYSA-N 416.329 6.765 0 40 HKAB CCCC[C@H](CC)CNC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 224084871 IPAPFJYIFXGMIM-IBGZPJMESA-N 416.587 5.050 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H]2CCCc3ccccc32)c1 224106531 ZNSSDDOMLHEXKZ-NRPPHEFGSA-N 416.546 5.021 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2)cc1COc1ccc(-c2ccccc2)cc1 224215018 LRXMCQCCBSYPOP-UHFFFAOYSA-N 409.485 6.194 0 40 HKAB CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1CSc1ccc(C)cc1 224659741 CFNZWISULVXQLW-UHFFFAOYSA-N 409.595 6.306 0 40 HKAB C[C@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)C1 225515877 NKQXENRTFRVPCN-FQEVSTJZSA-N 424.560 5.387 0 40 HKAB CC(C)Oc1cccc(CCCNC(=S)Nc2cccc(Br)c2)c1 225564277 VSRVINXYMRPZIC-UHFFFAOYSA-N 407.377 5.156 0 40 HKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225704027 RRWVYQLWGYZGGN-RUZDIDTESA-N 418.622 5.646 0 40 HKAB CCOC(=O)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 225932342 ISWDLBTWRSAWBJ-UHFFFAOYSA-N 415.917 5.123 0 40 HKAB O=C(c1nccc2ccccc12)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257307056 SXAMXJKOVLYIMI-JOCHJYFZSA-N 415.468 5.320 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)c2ccccc2O1 260810758 JYZQIPSFXPXTNJ-NZQKXSOJSA-N 424.560 5.237 0 40 HKAB S=C(NCCc1ccccc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408574652 MDSXQESXXSQRFR-UHFFFAOYSA-N 416.373 6.080 0 40 HKAB O=C1S/C(=C\c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1c1cccc(Cl)c1 408604527 VBGKPEXBLNMPOD-ZDLGFXPLSA-N 417.820 6.119 0 40 HKAB Cc1cccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccccc2)c1 409099729 SJJXLEGVSNRTDC-UHFFFAOYSA-N 419.937 5.871 0 40 HKAB COc1ccccc1C(=O)/N=c1\sc(-c2ccccc2)c(-c2ccc(C)cc2)n1C 409204864 COVQELFNNXDPHX-QPLCGJKRSA-N 414.530 5.479 0 40 HKAB COc1cc(Br)c(Br)c(-c2nc3ccccc3s2)c1O 409257601 RBBIPHCHIJRHTO-UHFFFAOYSA-N 415.106 5.203 0 40 HKAB CSCC[C@H](NC(=O)Nc1cccc(OC(F)(F)F)c1)c1nc2ccccc2[nH]1 524733353 KGFABASTKFCYMK-INIZCTEOSA-N 424.448 5.077 0 40 HKAB O=C(CCC1CCCC1)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643575524 HGADLIGFYPCXBE-UHFFFAOYSA-N 422.569 6.126 0 40 HKAB Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)Nc3ccccc3)c(=O)[nH]c12 880394 VPBRDAHHXNUNMZ-UHFFFAOYSA-N 415.468 5.210 0 40 HKAB Cc1sc2ncnc(SCC(=O)c3cc(C)n(Cc4ccco4)c3C)c2c1C 952918 JXQHWTUFSOXZQH-UHFFFAOYSA-N 411.552 5.343 0 40 HKAB O=C1C[C@@H](c2cccc(C(F)(F)F)c2)c2cc(Br)c3ccccc3c2N1 998695 LQKAFCHUEFTEBE-HNNXBMFYSA-N 420.228 6.095 0 40 HKAB O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(\Br)SCc1ccccc1 1647123 SQFBMGHDLVIEFP-MDZDMXLPSA-N 403.512 5.646 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)cc1 2056946 BWVDDIJXJHWTSK-UHFFFAOYSA-N 400.478 6.153 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2Cl)N3)C1 2062238 WNBSXIRSIZSRTA-DYZYQPBXSA-N 409.382 6.060 0 40 HKAB Clc1ccc(OCc2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1 2234435 TYUXSARWKYBULZ-UHFFFAOYSA-N 416.912 5.392 0 40 HKAB COc1ccc(-c2nnc3c4cc(F)cc(F)c4n(Cc4cccc(F)c4)cc2-3)cc1 2690326 ONSJDVVAEYDYSC-UHFFFAOYSA-N 419.406 5.677 0 40 HKAB COc1ccc(NP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)cc1 3177061 NPOUIJYZALOZKH-UHFFFAOYSA-N 411.438 6.607 0 40 HKAB COc1ccc(N2C(=O)[C@@H](c3cccc4ccccc34)[C@@H]2c2ccc3c(c2)OCO3)cc1 3199478 BGYOKAVQFGKYKZ-UIOOFZCWSA-N 423.468 5.449 0 40 HKAB COc1ccccc1/C=C(/C(=O)OCc1c(Cl)cccc1Cl)c1ccccc1 3322524 GQBXLRJGMXOYFC-NBVRZTHBSA-N 413.300 6.286 0 40 HKAB O=C(COC(=O)c1ccccc1OCc1ccccc1Cl)c1ccc(F)c(F)c1 3397183 YOTKDQYFVBKTHB-UHFFFAOYSA-N 416.807 5.237 0 40 HKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)cc1C 4033309 DVCVVTFRUKONIX-FQEVSTJZSA-N 413.496 5.361 0 40 HKAB Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)n1 4705495 BAIHRDCQHMBXOK-UHFFFAOYSA-N 406.536 5.035 0 40 HKAB CCCCOP(=O)(NNP(=O)(OCCCC)OCCCC)OCCCC 5328679 WEVSPVFDFAXDHY-UHFFFAOYSA-N 416.436 5.564 0 40 HKAB CC(C)(C)c1cc([C@@H](c2cccs2)c2ccc(O)cc2O)cc(C(C)(C)C)c1O 6313458 CIEQSRHXBHXJRN-JOCHJYFZSA-N 410.579 6.640 0 40 HKAB CCOc1ccc(-n2c(S[C@H](C)c3ccccc3)nnc2-c2ccc(C)cc2)cc1 6910672 FZDRCKWNRRRKMB-LJQANCHMSA-N 415.562 6.495 0 40 HKAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)CCc1ccsc1 8340958 IDVKPJSVZCDSNB-UHFFFAOYSA-N 404.329 5.362 0 40 HKAB COc1cc(CNC2CCCCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 8471397 GPENSNSLLKKLAA-UHFFFAOYSA-N 408.369 6.393 0 40 HKAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3c(-c4ccccc4)noc3C)cc2)n1 8755179 YSAKFCRZHVFNRJ-UHFFFAOYSA-N 416.506 5.460 0 40 HKAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(-c2ccccc2)cc1 8852399 UVAPDJMKANMBNQ-UHFFFAOYSA-N 401.462 5.117 0 40 HKAB Cc1ccc(C)c(Cn2cc(SCC(=O)Nc3nnc(C)s3)c3ccccc32)c1 9391768 LEJBUXDTLFGJMJ-UHFFFAOYSA-N 422.579 5.197 0 40 HKAB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1coc2ccccc2c1=O 9434119 ATRITJXBOJJMCV-UHFFFAOYSA-N 414.442 5.028 0 40 HKAB Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1NC(=O)c1ccco1 9951509 BMNQGSAURKSZQO-DEOSSOPVSA-N 424.500 5.554 0 40 HKAB Cc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1NS(=O)(=O)c1ccccc1 10328710 XMTIEJSHAHVWSZ-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCc1cccc(CC)c1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 12749458 CNZMYCOAKYISKD-VWLOTQADSA-N 404.579 5.459 0 40 HKAB C[C@H]1c2c(oc3ccc(NC(=O)c4ncoc4-c4cccs4)cc23)[C@H](C)CN1C 13565399 NATIKTRDTUWVJS-OLZOCXBDSA-N 407.495 5.512 0 40 HKAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(-c2ccc(Br)cc2)o1 15913615 LVYYZJZPYGSPDC-BOPFTXTBSA-N 412.214 5.193 0 40 HKAB CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1cccc(C)c1 19927660 LHQDHAYHIYHMRL-UHFFFAOYSA-N 411.918 5.269 0 40 HKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20108344 MLNADBBMFXXMPG-DEOSSOPVSA-N 400.522 6.227 0 40 HKAB Cc1ccccc1[C@H](NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccccc1 20462195 WBCABYVCFSCTRL-AREMUKBSSA-N 406.485 5.014 0 40 HKAB CCc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3n2)cc1 20610194 JBHHDRLCPLHKKM-UHFFFAOYSA-N 414.509 5.124 0 40 HKAB CC(C)Cc1ccc([C@@H](C)NC(=O)CSc2nnc3sc4ccccc4n23)cc1 21283817 HQSACAWKBNHYKV-OAHLLOKOSA-N 424.595 5.112 0 40 HKAB Cc1ccc([C@H](NC(=O)c2cccc(OCc3ccccc3)c2)c2ccccc2)cc1 22510290 HJVOHWZCDIFBSN-HHHXNRCGSA-N 407.513 6.093 0 40 HKAB CCCn1c(C)c(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c2cc(OC)ccc21 23565204 LIBVSMQGVSEYBI-KRWDZBQOSA-N 416.525 5.045 0 40 HKAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)Nc1cccc2ccccc12 32609827 RKWLWPJLVVTQIN-UHFFFAOYSA-N 422.435 5.612 0 40 HKAB Clc1ccc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c(Cl)c1 36418008 MCEMFZUXQOQSFV-UHFFFAOYSA-N 405.354 5.627 0 40 HKAB COC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)c1 67296945 GMFZDOVTTGVCTJ-LCUIJRPUSA-N 412.445 5.013 0 40 HKAB Fc1cc(Br)ccc1NC(=S)Nc1ccc(OC(F)(F)F)cc1 71761663 GUVPKMXXPYPUDR-UHFFFAOYSA-N 409.202 5.296 0 40 HKAB Cc1ccc2[nH]c3c(SCC(=O)Nc4cc(Cl)cc(Cl)c4)ncnc3c2c1 72331988 SUOKXMBESXGPTP-UHFFFAOYSA-N 417.321 5.457 0 40 HKAB COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(-c4cccc(F)c4)n3)C2)cc1 72349347 XQMYNFIMWIOUOR-NRFANRHFSA-N 418.512 5.235 0 40 HKAB Cc1ccc(-n2c(SCc3ccccc3)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 73686354 YVOJMHLVYDMXNH-UHFFFAOYSA-N 423.541 5.982 0 40 HKAB C[S@@](=O)c1ccc(C(=O)Nc2ccc(-c3ccccc3)c(C(F)(F)F)c2)cc1 83990278 GTIBISMINCZDHU-NDEPHWFRSA-N 403.425 5.362 0 40 HKAB O=C([C@H]1CCCc2ccccc21)N(c1ccccc1)c1ncccc1Br 89845580 AWZJTBKEQKMNHP-IBGZPJMESA-N 407.311 5.629 0 40 HKAB O=C(NCc1ccc(C(=O)c2cccs2)s1)Nc1cccc(C(F)(F)F)c1 90610613 CCJQFFVYUCYHQQ-UHFFFAOYSA-N 410.442 5.381 0 40 HKAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)Cc1cn(C(C)C)c2ccccc12 96222303 HKCHDCYHYNSELE-HSZRJFAPSA-N 415.537 5.448 0 40 HKAB biogenic CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@@H]1c1ccc(C)cc1 103870947 GFEQZSLMROSYSP-DFHRPNOPSA-N 422.528 6.565 0 40 HKAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc(OCc2ccccc2Cl)cc1 218991142 RGHUNHADONLNFX-SFHVURJKSA-N 409.913 5.425 0 40 HKAB O=C(CCc1ccccc1Cl)NCCSCc1ccc(Cl)cc1Cl 220012108 YYVIQESXLGQZFP-UHFFFAOYSA-N 402.774 5.629 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1C(C)C 223348844 VMHCCIXCMITBJH-OAQYLSRUSA-N 422.613 5.525 0 40 HKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223551126 VNNQQSWBGQDEFA-AWEZNQCLSA-N 408.310 5.308 0 40 HKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 224331485 NFMSGLKQSBLFCO-ZEQRLZLVSA-N 416.594 5.738 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2ccccc12 225776852 YAUZEEPESGENEB-UHFFFAOYSA-N 407.485 5.453 0 40 HKAB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1cc(C(F)(F)F)ccc1Cl 225799926 LKYQOKNSLWQRRF-UHFFFAOYSA-N 413.758 5.119 0 40 HKAB CCOc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)ccc1O 226420628 XGYONAAGJOZHRO-XHEQKNDOSA-N 407.554 5.172 0 40 HKAB C[C@H]1[C@H](C)CCC[C@H]1n1ccc2c(cnc3c(-c4ccc(Cl)cc4)cnn32)c1=O 253571561 PCXLVNOTVFFPJE-QEEYODRMSA-N 406.917 5.362 0 40 HKAB CC(C)CCC[C@@H](C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H](O)CC[C@H]32)C1 253609599 LDPPQIQFKNQQLH-KBVDRANJSA-N 416.646 6.453 0 40 HKAB CCCCn1nc(-c2cc(CC(=O)O)ccc2OCC)cc1-c1ccccc1OCC 257299846 RRVRQYLQPRRIAO-UHFFFAOYSA-N 422.525 5.442 0 40 HKAB CCc1cccc(C)c1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 408624431 TXQUSYFTEDDNQU-UHFFFAOYSA-N 404.535 5.263 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(C)c(C)c2)cc1 408696182 XJNKCZHQYKLZCT-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1F 409048252 NXJCQUJBKUQDGR-QNGOZBTKSA-N 418.493 5.009 0 40 HKAB Cc1c(Cl)cccc1NCc1ccccc1OCc1ccc(Br)cc1 409120796 UGZLBWFGVDDQEC-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1ccccc1 409180449 SYGXBDAUTYIEPA-UHFFFAOYSA-N 400.396 5.276 0 40 HKAB CCOc1cc(-c2nc3ccccc3s2)ccc1OCc1c(C)cc(C)cc1C 409188698 KBXWLNCRNPCTJH-UHFFFAOYSA-N 403.547 6.866 0 40 HKAB O[C@@H]1[C@H](NCc2ccccc2)CCC[C@H]1Oc1cccc(F)c1Oc1ccccc1 585263206 MVROIDVSMCFROA-CQOQZXRMSA-N 407.485 5.069 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 841550 TVKXZKQAQHTKKY-UHFFFAOYSA-N 412.489 6.235 0 40 HKAB Cc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)cc1 890895 SSJNXAXAKBVSGT-UHFFFAOYSA-N 421.419 5.341 0 40 HKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 949893 GPQSYPRKADVDJW-UHFFFAOYSA-N 406.338 5.400 0 40 HKAB Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(Cl)cc2)N2CCCC2)c1C 1448863 RHZSMEDCHRBGJR-HXUWFJFHSA-N 414.958 6.049 0 40 HKAB CC1(C)[C@H]2CCC[C@]1(CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl)C2 1732242 UEYXQFUTFAEKDZ-BUXKBTBVSA-N 405.749 6.175 0 40 HKAB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1cccc3ccccc13)c1nc3ccccc3nc12 1805554 UREGOTRMGKUSQO-RRPNLBNLSA-N 407.517 5.751 0 40 HKAB C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)N1CCCc2ccccc21 2624020 QQLGJBUTKAGJOH-LLVKDONJSA-N 400.853 5.214 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(-c3cccs3)o2)c2ccccc2)c1 2625619 LGIFHGBAMCQMJP-LJQANCHMSA-N 421.547 5.887 0 40 HKAB O=C(C[C@@H](c1ccccc1)[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 3107151 DCHYDZKWRVSCIG-XTEPFMGCSA-N 404.509 6.710 0 40 HKAB C[C@H]1CN(C(=O)Nc2ccc(Cl)cc2)[C@@H](C)CN1C(=O)Nc1ccc(Cl)cc1 3135158 UZSMXJPFPIHMDY-KBPBESRZSA-N 421.328 5.152 0 40 HKAB O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)NC1CCCCC1 3232018 KFRDNSRDYRHHBT-UHFFFAOYSA-N 405.420 5.412 0 40 HKAB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1ccc2ccccc2c1 3244259 ZCUHNLVOPVTCON-XSFVSMFZSA-N 419.527 5.685 0 40 HKAB CCN(CC)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1C 3293408 SFKDMBHAUPXODT-UHFFFAOYSA-N 404.539 5.248 0 40 HKAB Cc1cc(C(=O)COc2ccc3ccccc3c2)c(C)n1Cc1ccccc1Cl 3324981 GJHMYBBUIYZLJQ-UHFFFAOYSA-N 403.909 6.222 0 40 HKAB COCc1cc(C)nc2sc([C@H](O)c3ccccc3)c(NC(=O)c3ccccc3)c12 3618294 GXEBDJKEKRPFJI-OAQYLSRUSA-N 418.518 5.085 0 40 HKAB Cc1cccc(C2=N/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)c1 4676632 ZSZSCMASRFBRDD-HYARGMPZSA-N 403.865 5.572 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)CSc1nnc2cc(C)c3ccccc3n12 4843537 IXIIWFJIBYQYJP-UHFFFAOYSA-N 404.539 5.354 0 40 HKAB Clc1cc(CSc2nnc(-c3cccs3)n2C2CC2)cc2c1OCCO2 5359854 AKUXJHONENQHRQ-UHFFFAOYSA-N 405.932 5.058 0 40 HKAB CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 5500599 XQATWBUTDUZOFT-UHFFFAOYSA-N 408.354 5.785 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1Cl 6260121 XOKDVPRFNTXOOH-UHFFFAOYSA-N 403.103 5.552 0 40 HKAB CCCCc1ccc(NC2=NC(=O)/C(=C/c3ccc(Br)o3)S2)cc1 6569831 DMVAEUMHCMXUIZ-PTNGSMBKSA-N 405.317 5.467 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccccc1OCc1ccc(C)cc1 6843471 ZKCQMFNKSYUACU-QFIPXVFZSA-N 420.534 5.342 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 6861865 PUMCCXWGVSXKPP-UHFFFAOYSA-N 401.076 6.813 0 40 HKAB Cc1cc(C)c(C(=O)COC(=O)COc2cc(Cl)c(Cl)cc2Cl)c(C)c1 6902688 PZIZITDYGLOYKA-UHFFFAOYSA-N 415.700 5.377 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2c(C)cc(C)cc2C)cc1OC 7651733 ZDCJGQSDFLQQFH-UHFFFAOYSA-N 406.320 5.424 0 40 HKAB Cc1nc(-c2cccc(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)c2)cs1 8128936 ANAJPWAPHYSINC-UHFFFAOYSA-N 417.490 5.525 0 40 HKAB Cc1nc(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)n(CC(C)C)c1C 8725597 REYYLKLRYQKFQQ-CYBMUJFWSA-N 400.375 5.582 0 40 HKAB COc1ccc(OC)c2c1[C@@H]1CCCC[C@H]1O[C@@H]2c1cccc(NC(=O)C2CC2)c1 8816561 CUDMNXSXYJGJGV-KHCICDEESA-N 407.510 5.198 0 40 HKAB Cc1cc(O[C@H](C)C(=O)N(Cc2cccc(F)c2)Cc2ccco2)ccc1Cl 9204980 ZFRWWFKDIGRWQH-MRXNPFEDSA-N 401.865 5.377 0 40 HKAB Cc1cc(C)c(C(=O)Nc2ccc(Cl)cc2)c(SCC(=O)c2ccccc2)n1 9250059 LJHIVFWIYNBMEI-UHFFFAOYSA-N 410.926 5.579 0 40 HKAB CC[C@H]1Oc2c(OC)cc(Br)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 9290994 NNJNUAGMWFUVJF-FUHWJXTLSA-N 421.722 5.391 0 40 HKAB Clc1cccc2sc(N3CCN(c4nc5c(Cl)cccc5s4)CC3)nc12 9381980 OCBSMVIZYKXWBT-UHFFFAOYSA-N 421.378 5.539 0 40 HKAB O=C(c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)C(F)(F)F 9849380 VKXZWMOEDXGVNW-UHFFFAOYSA-N 416.624 5.851 0 40 HKAB CCn1c(SCc2cccc(Br)c2)nnc1-c1cccc(OC)c1 10410264 QQPPPVCSTICQSB-UHFFFAOYSA-N 404.333 5.028 0 40 HKAB COc1ccc(N(C)c2nnc(-c3ccc(NC(=O)c4cccs4)cc3)s2)cc1 11797100 YCJWLHOWQQZZNB-UHFFFAOYSA-N 422.535 5.295 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccc(OC)cc1)N1N=C(c3cccs3)C[C@@H]21 12196440 BQCWCNGIGXXZKR-WMZHIEFXSA-N 406.507 5.398 0 40 HKAB O=C(C1=C(c2ccccc2)SCCO1)N(Cc1cccc(F)c1)Cc1ccco1 12406960 XLSQEZWWBRKIAN-UHFFFAOYSA-N 409.482 5.080 0 40 HKAB COc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 13550422 IPDRVYUBQRQNQI-BUHFOSPRSA-N 422.406 5.584 0 40 HKAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)C12CC3CC(CC(C3)C1)C2 14198167 SDSOFXMFTSGDBK-NSDYXAQKSA-N 411.571 5.063 0 40 HKAB CCNc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)nc2ccccc12 14228990 AZAAQDARJGNXIK-UHFFFAOYSA-N 407.326 5.099 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3ccc(C)s3)cc2)c1C 14405355 JPHFFVGWRPOAQW-UHFFFAOYSA-N 410.543 5.175 0 40 HKAB CCSc1nc(SCC)c2c3c(sc2n1)CN(Cc1ccccc1)CC3 16693643 FRBXIARPZZPWCV-UHFFFAOYSA-N 401.626 5.474 0 40 HKAB N[C@H](CSC1(c2cccc3ccccc23)c2ccccc2-c2ccccc21)C(=O)O 16924756 MLVVICBYRJUQFB-XMMPIXPASA-N 411.526 5.257 0 40 HKAB CC(C)=CCC[C@H](C)CCNC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]21 16949703 GFNAIMIAENVOOC-NDMKBUGQSA-N 423.729 8.183 0 40 HKAB O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1cccnc1Cl 17091644 ZBPWAXXGRVFGEX-UHFFFAOYSA-N 418.667 6.102 0 40 HKAB CC(=O)Nc1ccc(Oc2cc(C)nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)c2)cc1 19570110 JYMSKPGHDOEEAO-HXUWFJFHSA-N 421.541 5.037 0 40 HKAB O=C(Nc1nccs1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20727722 LZSSCUAXHVJBPH-FQEVSTJZSA-N 417.534 5.229 0 40 HKAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1ccc(CC)cc1 21787320 IPLZWXAXISXWFM-QHCPKHFHSA-N 405.542 5.141 0 40 HKAB C[C@@H](Sc1nnc(COc2ccc(Cl)cc2)o1)c1nnc(-c2cccs2)o1 26433296 PHBXHVKXWPWDPH-SNVBAGLBSA-N 420.903 5.267 0 40 HKAB Cc1cc(-c2ccccc2)nc(S[C@H](C)C(=O)Nc2cccc3ncccc23)n1 27028321 XGWCSCLFDFMHPX-MRXNPFEDSA-N 400.507 5.120 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCCCCC2)cc1 27663600 GALJJOHHMGHLAP-QFIPXVFZSA-N 424.972 6.050 0 40 HKAB CCOc1ccc(C(=O)Nc2ccn(Cc3cccc4ccccc34)n2)cc1OCC 28303470 PAHHBLLHFKLIOV-UHFFFAOYSA-N 415.493 5.134 0 40 HKAB Cc1cccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(Cl)c2)c1 28527530 DSBZRIFRTDBFRF-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB O=S(=O)(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1ccc(F)cc1 28851780 UEZHPQDKJZLSEZ-UHFFFAOYSA-N 417.412 5.038 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1Cl)N(Cc1ccccc1)Cc1ccccc1 31904046 FQIINDDPKBKAFX-UHFFFAOYSA-N 406.334 5.385 0 40 HKAB CC(=O)[C@@H](C)Oc1ccc2cc(-c3csc(-c4ccc(F)cc4)n3)c(=O)oc2c1 32094204 QSXAOOARIMDWDL-CYBMUJFWSA-N 409.438 5.079 0 40 HKAB O=C(NCCCCOc1ccc(OCc2ccccc2)cc1)c1c(F)cccc1F 32753622 XSBOVMSHCZMBSR-UHFFFAOYSA-N 411.448 5.133 0 40 HKAB O=C(COc1cccc(-c2noc(-c3cccc(Cl)c3)n2)c1)Nc1ccc(F)cc1 33327303 USTAJBNLYLJFQQ-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccccc3F)c12 36613497 SEIHHYDFKWCIIV-UHFFFAOYSA-N 400.457 5.057 0 40 HKAB CC(=O)c1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccc1 36616770 DLLVWRNXBCEYAZ-UHFFFAOYSA-N 410.477 5.061 0 40 HKAB O=C(Nc1cc(Cl)c(OC(F)F)c(Cl)c1)c1ccc(Cn2cccn2)cc1 40148995 ARJLNBQQILKWTO-UHFFFAOYSA-N 412.223 5.092 0 40 HKAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1nc2c(s1)CCC2 47478185 XOCYVPYMYZBDRD-UHFFFAOYSA-N 417.943 5.160 0 40 HKAB CCOc1ccccc1Nc1cc(C(=O)N2CCC(C)CC2)nc2ccc(C)cc12 48987681 SRIPKSDNTNJHIA-UHFFFAOYSA-N 403.526 5.558 0 40 HKAB CCc1cc(CN2CCN(c3ccc(F)cc3)CC2)c(NC(=O)c2ccccc2)s1 54105790 CXMSEUAXYUBIBJ-UHFFFAOYSA-N 423.557 5.024 0 40 HKAB CC(C)(c1ccccc1)c1ccc(OCCCCn2cnc3ccccc3c2=O)cc1 58159013 FWVHXJCAXNCMJW-UHFFFAOYSA-N 412.533 5.582 0 40 HKAB C[C@@H](c1ccccc1F)N(C)C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 59337690 VITKJSFRTFDYFU-ZDUSSCGKSA-N 406.383 5.255 0 40 HKAB Cc1csc(Nc2cccc([C@H]3CCCN3Cc3ccc4ncccc4c3)n2)n1 72375358 PADCOQFEVOFYFF-OAQYLSRUSA-N 401.539 5.475 0 40 HKAB CC(C)n1c2ccccc2c2c1cc(C(=O)Nc1cc(F)cc(F)c1)n2C(=O)N(C)C 96062679 DDQSUTJVDHLOLC-UHFFFAOYSA-N 424.451 5.237 0 40 HKAB C[C@@H](C(=O)Nc1ccc(Br)cc1)c1cccc(C(=O)c2ccccc2)c1 98073005 NGZVNLGKDHULFF-OAHLLOKOSA-N 408.295 5.422 0 40 HKAB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1[C@@H]3C[C@H](c4ccccc43)[C@@H]12 101044575 WKKQGHSXCFJKSR-MFOYBPGQSA-N 406.136 5.164 0 40 HKAB S=C(NCc1ccc(Cl)cc1Cl)Nc1ccc(Br)c(Cl)c1 107351888 HIUTWMJHTPHZBG-UHFFFAOYSA-N 424.578 5.896 0 40 HKAB Cc1cccc2c(C(=O)NCC(C)(C)c3cccc(F)c3)cc(-c3cccnc3)nc12 141550945 XKTGXZWQNBASPN-UHFFFAOYSA-N 413.496 5.452 0 40 HKAB O=C(NCCC1=CCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 142552287 WDRSBPIBEPSTSZ-RUZDIDTESA-N 420.578 5.081 0 40 HKAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 216369000 OOWXOHICPODACY-SFHVURJKSA-N 423.603 6.415 0 40 HKAB CC[C@@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccc(C)c(C)c1 218844599 IDRDQXJVWYSRQR-LJQANCHMSA-N 404.348 5.329 0 40 HKAB CC[C@@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccc(C)cc1C 218844753 FCPPNIMXWAKVGW-LJQANCHMSA-N 404.348 5.329 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)COc1ccc(C(C)(C)C)cc1Br 218880099 PXCNZMMGOSBSOO-UHFFFAOYSA-N 410.739 5.726 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 223658894 PUKBIAFLGNSZGK-HSZRJFAPSA-N 411.586 5.634 0 40 HKAB Cc1ccc(Nc2ccc(NC(=S)NCc3ccc(-c4ccccc4)o3)cn2)cc1 223912499 BLXRXHBOUHOTKK-UHFFFAOYSA-N 414.534 5.880 0 40 HKAB CCCC[C@@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 223954301 GNXDDBNOWACRNK-MRXNPFEDSA-N 422.978 5.087 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccc(Cl)cc1 224157730 PJCYNMIOAYFANU-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 225025522 NDCFKENMNLZKBB-VWLOTQADSA-N 420.597 5.102 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)N[C@H]1CC2(CCCCC2)Oc2ccccc21 225366017 QJSGQYBMAZKNHX-FQEVSTJZSA-N 418.364 6.269 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)c1 225681022 XMCBTIWPZMBDHW-MRXNPFEDSA-N 423.981 5.728 0 40 HKAB S=C(Nc1ccc(CSc2ccccc2)cc1)NC1(c2ccco2)CCCC1 225855829 DTZXDPUUIJURTQ-UHFFFAOYSA-N 408.592 6.328 0 40 HKAB CCOC(=O)c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 226340277 LNTJBEVNKBQLFQ-UHFFFAOYSA-N 404.087 5.512 0 40 HKAB CCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1OC 408558539 RQYALJKBQPPUQU-UHFFFAOYSA-N 405.119 5.775 0 40 HKAB CCc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)C)c3)nc2c1 408620523 JVCIOGIVQKAQCN-UHFFFAOYSA-N 401.919 5.180 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cc(C)ccc3C)n2)cc1 408694571 KLCVHCTXJZAGEM-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409072384 NFYQXRFHWMAYLX-VAKHEIKFSA-N 405.281 5.268 0 40 HKAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409171652 BYQKCJKSFHSSCU-YFBNGUMXSA-N 412.577 5.902 0 40 HKAB Cc1ccc(-c2c(C)s/c(=N\C(=O)C(c3ccccc3)c3ccccc3)n2C)cc1 409197338 CAULTVJPFSXBHL-RQZHXJHFSA-N 412.558 5.630 0 40 HKAB O=C1N/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1c1ccc(Cl)cc1 409249748 OIKQRCFGXNMLDR-FYJGNVAPSA-N 422.843 5.155 0 40 HKAB C[C@@H](CCC[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(=O)O 605706379 SQTAVUCHOVVOFD-TYZFDMGGSA-N 414.630 6.662 0 40 HKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 664315 POTAHHOGJXHKMF-UHFFFAOYSA-N 414.534 5.282 0 40 HKAB O=C(Nc1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1)c1ccc(F)cc1 793903 FWXKJGUBFCKTOW-UHFFFAOYSA-N 403.240 5.637 0 40 HKAB CCOC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCOC2 873718 SXDDWESELSAREL-UHFFFAOYSA-N 421.927 5.118 0 40 HKAB COc1ccc2nc(C)cc(SCC(=O)Nc3cc(Cl)ccc3Cl)c2c1 887578 ZTGMOQNPCVOLGH-UHFFFAOYSA-N 407.322 5.589 0 40 HKAB CC(C)c1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 919330 JZVXSLFWPBASHQ-QAPCUYQASA-N 418.419 5.512 0 40 HKAB COc1ccc(-c2csc(N(Cc3ccco3)C(=O)c3ccccc3F)n2)cc1 929182 OSKJOFZLMLENJO-UHFFFAOYSA-N 408.454 5.398 0 40 HKAB S=C(Nc1ccc(Cl)cc1)N1CCS[C@H]1c1ccc(Br)cc1 1101456 MITLYTDVRFCCJS-HNNXBMFYSA-N 413.793 5.547 0 40 HKAB CC(C)(C)c1ccc(NC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)cc1 1324353 QCFOMAZOMFYHFO-UHFFFAOYSA-N 406.526 6.440 0 40 HKAB CCOc1ccccc1NC(=S)NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1 1377794 VEOYJBYUHPFCCH-QZTJIDSGSA-N 415.628 5.019 0 40 HKAB Cc1nc2sc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(N)c2c2c1CCCC2 1471992 WXOMNNSSNPQZJV-UHFFFAOYSA-N 406.338 5.625 0 40 HKAB CC1=C[C@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@H](c3ccc4c(c3)OCO4)[C@@H]1[C@@H]2C 2116115 FSFRMGYTTNBARV-RJMZVBKJSA-N 420.505 5.178 0 40 HKAB biogenic Cc1cccc(C(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)c1 2259036 YNGWOEXQPFRTBH-UHFFFAOYSA-N 404.560 6.025 0 40 HKAB CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O 2400363 MUEZRLPDKPSWGQ-UHFFFAOYSA-N 406.390 5.105 0 40 HKAB biogenic O=c1c(-c2ccccc2)c(C(F)(F)F)oc2cc(OCc3ccc(F)cc3)ccc12 2403278 KAERLTMBRVXXKK-UHFFFAOYSA-N 414.354 6.197 0 40 HKAB biogenic CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)nc(NC[C@@H]4CCCO4)c23)CO1 2428834 AKYUMCJGGKVLND-RBZFPXEDSA-N 407.605 5.024 0 40 HKAB Cc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccccc2Cl)cc1 2450626 KNJIVULPDHYEMF-UHFFFAOYSA-N 419.937 5.871 0 40 HKAB Cc1cccc(C)c1N(C(=O)CSc1ccccc1)c1nc2ccccc2s1 2661820 XTHDGKVYDUSCDQ-UHFFFAOYSA-N 404.560 6.370 0 40 HKAB O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCCC2 4150912 YDIBCBTXSAVPNY-UHFFFAOYSA-N 424.953 5.714 0 40 HKAB CCc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)cc1 4188607 PFPMJMAUKKGICK-UHFFFAOYSA-N 417.534 5.832 0 40 HKAB COc1ccc(-c2c(C)c3cc(OCc4ccccc4C)ccc3oc2=O)cc1OC 4340786 HSJRSOIDFQROKB-UHFFFAOYSA-N 416.473 5.673 0 40 HKAB biogenic CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C/c1ccc2ccccc2n1 4621971 GJNJIXXRPDOHFE-DHZHZOJOSA-N 409.573 7.272 0 40 HKAB Fc1ccc(-c2cc(-c3nc4c5c6c(sc5ncn4n3)CCCCCC6)n[nH]2)cc1 4626246 QUWKFPSLNSVZNE-UHFFFAOYSA-N 418.501 5.194 0 40 HKAB O=c1c2cc(-c3ccccc3)sc2nc2n1N=C(c1ccc(Cl)cc1)CS2 4665096 ZIZDSYFEWBHIIK-UHFFFAOYSA-N 409.923 5.137 0 40 HKAB Cc1ccc(Nc2c(-c3ccc(N(C)C)cc3)nc3ccc(Br)cn23)cc1 4793960 FEDMIKMODQVDKK-UHFFFAOYSA-N 421.342 5.882 0 40 HKAB C[n+]1c(/C=C\c2ccc3cccc(OCc4ccccc4)c3n2)ccc2cccc(O)c21 4822028 RJTSKCHSZXGLMX-UHFFFAOYSA-O 419.504 5.668 0 40 HKAB CCc1ccc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)cc1 6168892 PBLXKPMGLKEXBK-UHFFFAOYSA-N 406.869 5.728 0 40 HKAB O=C(NCc1ccccc1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 6433045 YRFNURYMPYRONG-UHFFFAOYSA-N 407.300 6.139 0 40 HKAB Clc1ccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc4c(cc32)OCO4)cc1 6738185 OSWIOJOFEXFEPZ-UHFFFAOYSA-N 413.864 5.634 0 40 HKAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 6752920 WKFMMABAYWEZCP-IBGZPJMESA-N 402.281 5.044 0 40 HKAB COc1cccc(NCc2nnc(SC[C@H]3CCCCO3)n2C2CCCCC2)c1 6820818 YFENJESVVPIJAF-HXUWFJFHSA-N 416.591 5.065 0 40 HKAB COc1ccc(NC(=O)CSC2=NC3(CCCCCC3)Nc3ccccc32)cc1 6901983 AIUKDYJJWSVABC-UHFFFAOYSA-N 409.555 5.290 0 40 HKAB CCCCCCn1c([C@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21 7543545 IBRYXTLWIYIRDY-IBGZPJMESA-N 405.542 5.536 0 40 HKAB CCc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3cccc(C)c3)CC2=O)cc1 7544246 HEQWOKKWJLVVBQ-JOCHJYFZSA-N 409.533 5.476 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(C)cc4)cc3)nc2c1 8196599 ONYCELCNDRYNGI-GOSISDBHSA-N 414.505 6.334 0 40 HKAB O=C(O)c1cc(Cl)c(Cl)cc1C(=O)Nc1ccc(OCc2ccccc2)cc1 8448940 XOZYUACEJMRUNV-UHFFFAOYSA-N 416.260 5.523 0 40 HKAB COc1ccc(N2C[C@H](c3nc4ccccc4n3C/C=C/c3ccccc3)CC2=O)cc1 8657321 VBKZEOGGILOGPU-TYOLEZHBSA-N 423.516 5.279 0 40 HKAB CC1=C(C(=O)Nc2cc(C)ccc2C)[C@H](c2ccc(Cl)cc2Cl)NC(=S)N1 8767150 DHFTXTSTQGQOOY-SFHVURJKSA-N 420.365 5.042 0 40 HKAB CCO[P@@](=O)(OC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCc1ccco1 8915420 HWJBLUXNTRRFFX-LJAQVGFWSA-N 418.430 5.346 0 40 HKAB O=C(Nc1ccccc1C(=O)NCCc1c[nH]c2ccccc12)c1ccc(Cl)cc1 9252835 COTZSVYDRMDCTA-UHFFFAOYSA-N 417.896 5.046 0 40 HKAB CSCC[C@H](NC(=O)c1cc(C2CC2)nc2ccccc12)c1nc2ccccc2[nH]1 9378473 DVOOQXUDYWTXCW-NRFANRHFSA-N 416.550 5.213 0 40 HKAB COc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccccc3Cl)ccc2o1 9660166 ATKURAQDOSWVRQ-UHFFFAOYSA-N 405.837 5.374 0 40 HKAB biogenic C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235565 KECPRPZFQRAWBM-ZDUSSCGKSA-N 418.921 5.262 0 40 HKAB Cc1sc2c(c1C)c(=O)nc1n2[C@H](CSc2nc3ccccc3s2)CS1 10383262 OKQZFUBTILDNQJ-NSHDSACASA-N 417.606 5.124 0 40 HKAB CC1(C)CC(NC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)CC(C)(C)N1 11422822 IJHLUTWRKCNBPT-UHFFFAOYSA-N 421.560 5.332 0 40 HKAB O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ccc(Cl)cc1Cl 12177568 MXJAEDJBRPOEMW-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB O=C(Nc1cccc(NC(=O)C2(c3ccccc3)CC2)c1)C12CC3CC(CC(C3)C1)C2 12376038 DRKJWKWEAJZVFX-UHFFFAOYSA-N 414.549 5.512 0 40 HKAB COc1cccc2c1O[C@H](c1ccc(C(F)(F)F)cc1)N1N=C(c3ccccc3)C[C@@H]21 12555803 VPMLCAPXNLPIKP-NZQKXSOJSA-N 424.422 5.956 0 40 HKAB COc1ccc(-c2nn(C3CCCC3)c(-c3ccc(OC)c(OC)c3)c2C)cc1OC 17093181 NEFUDCJEZMIUTB-UHFFFAOYSA-N 422.525 5.675 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)N(Cc3cccs3)c3ncccc3C)sc2c1 21149603 XEWNGQVULQERJL-UHFFFAOYSA-N 412.967 6.475 0 40 HKAB Clc1ccc(-c2nc(CSc3nnc(NC4CCCCC4)s3)co2)cc1 23761491 SKIINWZKSVLYHN-UHFFFAOYSA-N 406.964 5.883 0 40 HKAB COc1ccc(-c2nnc(CN[C@@H](c3ccc(C4CCCCC4)cc3)C(C)C)o2)cc1 24716892 OVSRVUBFDMRUAU-RUZDIDTESA-N 419.569 6.280 0 40 HKAB CCOC(=O)C1CCN(c2cc(-c3nc4ccccc4s3)c3ccccc3n2)CC1 25539543 WXVHMYKKBBKOTR-UHFFFAOYSA-N 417.534 5.291 0 40 HKAB Cc1c(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)oc2ccc(F)cc12 28289184 GTJVAOZGFSSYCR-JOCHJYFZSA-N 422.544 5.745 0 40 HKAB Cc1nc2c3ccccc3nc(S[C@H](C)c3nc4ccccc4n3C(F)F)n2n1 31185302 NDIAUYYKFROHQV-LLVKDONJSA-N 410.453 5.184 0 40 HKAB O=C(NCCc1nc(-c2ccccc2)no1)c1sc2cccc(Cl)c2c1Cl 32593781 ZURQZMVXWJBKLE-UHFFFAOYSA-N 418.305 5.231 0 40 HKAB CC(C)N(c1ccccc1)c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1 33808217 YLPMTRHXNXAINZ-UHFFFAOYSA-N 423.969 6.013 0 40 HKAB CC(=O)c1cccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 38858362 JJQJNUSCAOHFCE-UHFFFAOYSA-N 405.325 5.047 0 40 HKAB CCOc1ccc(CN(C)CCCC(=O)Nc2c(Cl)ccc(C)c2Cl)cc1 40461098 UCMAEESDNSSZSZ-UHFFFAOYSA-N 409.357 5.551 0 40 HKAB Cc1ccccc1-c1nc(CSc2nc(O)cc(-c3cccc(Cl)c3)n2)c(C)o1 45924766 DSCRRXSSHSOJAL-UHFFFAOYSA-N 423.925 6.067 0 40 HKAB O=C(c1cccc(F)c1)N1C(=S)C(c2cccc(Cl)c2)=NC12CCCCCC2 45933261 YMKRRGJRPBNEHY-UHFFFAOYSA-N 414.933 5.802 0 40 HKAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1c(-c2ccc(F)cc2)ncn1C 58137247 OQSUCVYWCVWYJW-KRWDZBQOSA-N 415.468 5.299 0 40 HKAB CSc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)c1 67296928 KNTAMTYNWATYDT-IZHYLOQSSA-N 400.503 5.948 0 40 HKAB C[S@](=O)C[C@@H](NCc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 96003650 QPJSOFYMMQJRNK-QDPGVEIFSA-N 413.970 5.128 0 40 HKAB CC(C)n1c2ccccc2c2c1cc(C(=O)NC1CCCCCC1)n2-c1ncccn1 96037401 MZCOHPDJIYGZDU-UHFFFAOYSA-N 415.541 5.409 0 40 HKAB CCCCc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)cc1 98211288 IMEBYQPFTGJTLP-UHFFFAOYSA-N 400.482 5.186 0 40 HKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1cccc(Cl)c1 107024697 OSHOMVRCOSSWKC-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB CCn1c(SCc2ccc(C)cc2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C 107925419 MMGWONDZNRTUDN-OAQYLSRUSA-N 422.598 5.334 0 40 HKAB c1cc(-c2nc3nc(CC45CC6CC(CC(C6)C4)C5)cn3nc2-c2ccoc2)co1 141600867 MYKGZCAKUQQOJB-UHFFFAOYSA-N 400.482 5.403 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223098959 QOOURNVSAVOWPD-CLJLJLNGSA-N 401.550 6.144 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1cc(C)cc(C)c1C 224278030 ICDVNVYDZXKICP-UHFFFAOYSA-N 411.448 5.730 0 40 HKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=S)Nc1ccc(F)cc1 225460337 KKTJOZMKKRTLFJ-UHFFFAOYSA-N 402.878 6.089 0 40 HKAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(OC)c(Cl)c2)cc1OCC 225750013 UKOGUHRKGFVLSW-ZDUSSCGKSA-N 408.951 5.194 0 40 HKAB Cc1cc(N)cc(Br)c1NC(=O)/C=C/c1ccc(-c2ccccc2F)o1 227145631 MNDJYYSMRNHVOA-VQHVLOKHSA-N 415.262 5.391 0 40 HKAB CCCCN(CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCCC(C)=C3C[C@@H]21 248333414 JZPFBQTVTHEIAT-APAYAGTCSA-N 418.666 5.327 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(Nc1ccc(N(C)C)cc1)c1ccccc1 263621551 MTFNCAWTWQWUQM-GRXXMPIVSA-N 414.530 6.161 0 40 HKAB O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1cccc2ccccc12 408530711 QUUITBKKXKVGIQ-UHFFFAOYSA-N 418.452 6.308 0 40 HKAB COCCNC(=S)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 408572773 IDDAGTCOTSCEHC-UHFFFAOYSA-N 404.746 5.137 0 40 HKAB Cc1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)c(C)c1 408621695 PFFYNADDKPCUPG-UHFFFAOYSA-N 402.881 5.698 0 40 HKAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(OCC(C)C)cc2)S1 408799648 HGPDWHPVEBPIIX-UHFFFAOYSA-N 401.939 5.446 0 40 HKAB Clc1ccc(COc2cccc(CNc3ccc(Oc4ccccc4)cc3)c2)cc1 409116071 KMPAXLXVIVACNG-UHFFFAOYSA-N 415.920 7.323 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NCc1ccco1 409124985 CYLGHHGUQMDMIX-CSKARUKUSA-N 415.276 5.168 0 40 HKAB Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(Cc4ccc(C(C)C)cc4)C[C@H]23)o1 585109720 LKMMSCCEJCIKFO-KYPHJKQUSA-N 414.549 5.412 0 40 HKAB Cc1cc2ccccc2n1CC(=O)N1CCCCCCN(Cc2ccccc2)CCC1 643562610 XHGKKEQTQMHBAB-UHFFFAOYSA-N 417.597 5.245 0 40 HKAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccccc3F)C[C@H]2C[C@@H]1Oc1ccccc1F 2332242510 CKWAIBBLXHOYBB-RDMBEQIISA-N 423.507 5.000 0 40 HKAB COc1ccc(C(=O)CSc2ncnc3sc(-c4ccccc4)cc23)cc1OC 710387 JBCYJMBAXGQMJX-UHFFFAOYSA-N 422.531 5.351 0 40 HKAB CCOc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc(Br)c1O 717970 BEJYSVKSOAUXDA-HNNXBMFYSA-N 412.283 5.181 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@]12CC[C@](C)(c3nc4ccccc4nc31)C2(C)C 1020379 VZEUSNXHMWPBRL-RPWUZVMVSA-N 421.928 5.260 0 40 HKAB CCc1ccccc1NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3 1246951 BPGCABROFVIMKC-UHFFFAOYSA-N 417.534 5.832 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(Br)c1 1262751 RQTQXVAQYMQXDT-AATRIKPKSA-N 401.087 5.416 0 40 HKAB CC(C)(CNS(=O)(=O)c1cc(Cl)ccc1Cl)SCc1ccc(F)cc1 1401974 KHMVXDIFKBJOLX-UHFFFAOYSA-N 422.374 5.123 0 40 HKAB COC(=O)c1cccc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)c1 1467543 SXHOEMCLSGYCKF-GBXBDOIYSA-N 403.522 5.258 0 40 HKAB CC(C)Cc1nc2sc3c(NCc4ccco4)ncnc3c2c2c1COC(C)(C)C2 2222863 MLDVKCPDKYABTP-UHFFFAOYSA-N 422.554 5.494 0 40 HKAB Cc1ccc(OCc2nnc(SCc3ccccc3C)n2-c2ccccc2)cc1 2341061 AICJFENUDZFEMM-UHFFFAOYSA-N 401.535 5.755 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(c3nc(-c4cc(C)ccc4C)c(C)s3)C(=O)[C@@H]21 2738272 WITBSXWGOHCWRG-OBMJPTGESA-N 406.551 5.217 0 40 HKAB CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(C)cc2)cc1 2766219 ZIGOKBWYVWXWRP-SANMLTNESA-N 410.517 5.663 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3)nc2c1 3032304 HSJPEZOHYBKUGR-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1 3087673 SMGVKHLMCCSHTJ-UHFFFAOYSA-N 404.897 6.698 0 40 HKAB O=P1(N2CCc3ccccc3C2)C=C(c2ccccc2)SC(c2ccccc2)=C1 3174487 AQYVJNAYHHTCDT-UHFFFAOYSA-N 415.498 7.067 0 40 HKAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1c(Cl)cccc1Cl 3343959 NGKSIMBKBPFVDZ-SFHVURJKSA-N 421.349 5.266 0 40 HKAB Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c(C)n1Cc1ccccc1 3428857 XWTWWJHFIXMJCW-UHFFFAOYSA-N 417.534 5.102 0 40 HKAB COc1ccccc1-n1cc(-c2ccccc2)c2c(SCc3ccccc3)ncnc21 3658714 MYYOSXLSSQJOJS-UHFFFAOYSA-N 423.541 6.388 0 40 HKAB O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2Cl)N1c1ccc(Cl)cc1 3669060 XAKDOBAXAKHYBV-LJQANCHMSA-N 403.696 6.418 0 40 HKAB Cc1cc2nc(SCc3cccc(Cl)c3)n(Cc3ccccc3F)c2cc1C 3671321 BITLLCOTYSXOMG-UHFFFAOYSA-N 410.945 6.786 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccc(Cl)c4Cl)c3)oc2c1 3770761 QHDJYNQCOXJLFJ-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB Cc1ccc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1C 4075656 QTZYBHDCBPQZAN-UHFFFAOYSA-N 400.503 6.472 0 40 HKAB Cc1cc(NC(=O)COc2ccccc2)ccc1NC(=O)c1cc2ccccc2o1 4681081 ZVNIHXPTGLMMEV-UHFFFAOYSA-N 400.434 5.011 0 40 HKAB CCc1nc(SCC(=O)Nc2cccc(Cl)c2C)c2oc3ccccc3c2n1 5342520 UOLHRRJZUZXRIB-UHFFFAOYSA-N 411.914 5.631 0 40 HKAB C[C@@H]1c2cc3c(cc2CCN1C(=O)c1ccc(Oc2ccccc2)cc1)OCCCO3 5422542 FHFMDCXQASHNSW-GOSISDBHSA-N 415.489 5.400 0 40 HKAB CC(C)(C)c1cc(CCC(=O)N2CCN(c3ccccc3)CC2)cc(C(C)(C)C)c1O 5689785 FQLNFAMTWNDXHM-UHFFFAOYSA-N 422.613 5.269 0 40 HKAB Cc1ccc2nc([C@H]3CCCN(C(=O)Nc4ccccc4-c4ccccc4)C3)[nH]c2c1 5988507 YYPAOTQVHFMHHO-FQEVSTJZSA-N 410.521 5.950 0 40 HKAB COc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(Cl)cc32)cc1 6075402 SSOJRMLTPYGGDM-UHFFFAOYSA-N 417.940 6.080 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(NC(=O)CC45CC6CC(CC(C6)C4)C5)cc3)nc2c1 6418962 WEZMTNFNAOHUPI-UHFFFAOYSA-N 414.549 6.657 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 6426890 GCKWLWLISVJRSX-UHFFFAOYSA-N 406.334 5.697 0 40 HKAB O=C(COC(=O)CSc1ccc2ccccc2c1)Nc1ccc2ccccc2c1 6566703 GMDRINUJRIRRIO-UHFFFAOYSA-N 401.487 5.267 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1nc2ccc(Cl)cc2s1 6882882 IMWCYYRVZPKMHH-FPYGCLRLSA-N 408.335 5.130 0 40 HKAB O=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1ccc(Br)cc1 7652897 LZLUVSULOKHKLP-UHFFFAOYSA-N 407.720 5.407 0 40 HKAB COc1cc(OC)cc(C(=O)N2CC[C@@]3(Cl)CCCC[C@H]3[C@@H]2c2ccccc2)c1 7719387 HLWRCSWXRBUKBS-FIXSFTCYSA-N 413.945 5.459 0 40 HKAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1SCc1ccccc1F 7777453 JBOKYTMKRGZVNB-UHFFFAOYSA-N 422.525 5.207 0 40 HKAB CC(C)[C@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1ccc2c(c1)OCCCO2 7973630 RSTBSVJXSVHXNZ-QFIPXVFZSA-N 413.945 5.437 0 40 HKAB Cc1ccc2c(CSc3nn(-c4ccc(F)cc4)c(=S)s3)cc(=O)oc2c1 8825038 NDYCFAABSOYOHY-UHFFFAOYSA-N 416.524 5.510 0 40 HKAB CCOCCCNc1nc(Nc2ccc(C)c(C)c2)c2cnn(-c3ccccc3)c2n1 9573531 OLNBATQPNJYBSH-UHFFFAOYSA-N 416.529 5.014 0 40 HKAB O=C(/C=C/c1c(Cl)nc2ccccn12)N1CCC[C@@H](c2nc3ccccc3s2)C1 9777709 RCBVUYMAVONWLI-AUECHBEKSA-N 422.941 5.017 0 40 HKAB Cc1cc(NCc2ccccc2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 10493633 NWWYQNBIVZDNAY-UHFFFAOYSA-N 416.834 5.989 0 40 HKAB CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccccc1C 12414869 HIKLJOIEELVUEU-UHFFFAOYSA-N 415.536 5.009 0 40 HKAB COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2Cc2ccccc2)cc1 12570861 RCCRRYYXNAROHR-QHCPKHFHSA-N 421.338 5.809 0 40 HKAB O=C(Nc1ccn(-c2ccccc2)n1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 12600252 GHIDFKJABJQIHG-UHFFFAOYSA-N 424.891 5.993 0 40 HKAB O=C(/C=C/c1ccc(Br)s1)Nc1ccc(Br)cc1F 12816797 QQRKOTDOPGCKKK-ZZXKWVIFSA-N 405.086 5.064 0 40 HKAB CCn1ncc2c(C(=O)N(C)Cc3cccc(Cl)c3)cc(-c3cccs3)nc21 13006081 XLYWCNROHWJCDK-UHFFFAOYSA-N 410.930 5.105 0 40 HKAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 13684557 MPAWWLKPWCEYJX-HXUWFJFHSA-N 416.521 5.120 0 40 HKAB COc1ccc2cc(CN(Cc3ccncc3)Cc3ccc(C)cc3)c(OC)nc2c1 13989366 GJJXOKOKFIUEIX-UHFFFAOYSA-N 413.521 5.158 0 40 HKAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(Br)cc1F 14066158 FGTLQBVPZDYTSG-UHFFFAOYSA-N 422.681 5.774 0 40 HKAB COc1ccc(Br)cc1-c1nc(COc2ccc(C(C)=O)cc2)cs1 14120706 AKLAWLQSKHQNKI-UHFFFAOYSA-N 418.312 5.363 0 40 HKAB Cc1ccc(-c2cnc(CCC(=O)OCc3cc4ccc(C)cc4nc3Cl)o2)cc1 14706856 UGNVAXCJGFVOSS-UHFFFAOYSA-N 420.896 5.836 0 40 HKAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)c1 17090883 NULXCLZATQXRQA-UHFFFAOYSA-N 416.852 5.274 0 40 HKAB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)/C=C/c4ccco4)c3)nc2c1 17091086 KWJNNFATCDESCM-CSKARUKUSA-N 417.490 5.231 0 40 HKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 20145002 PPQXNOAXAPBCMI-UHFFFAOYSA-N 413.473 5.579 0 40 HKAB O=C(Nc1cnc2ccccc2c1)C1CCC(C(=O)Nc2cnc3ccccc3c2)CC1 21136585 NHOSEMDRIGIAMQ-UHFFFAOYSA-N 424.504 5.167 0 40 HKAB Cc1cccc(COc2ccccc2C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1 23074767 CEOBQKBSSZCWQK-UHFFFAOYSA-N 413.517 5.309 0 40 HKAB O[C@@H](CSc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc(F)cc1 25223802 YERUOPTWANWDMN-KRWDZBQOSA-N 400.475 5.462 0 40 HKAB Cc1c(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)oc2ccc(F)cc12 28289186 GTJVAOZGFSSYCR-QFIPXVFZSA-N 422.544 5.745 0 40 HKAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(-c2cccc(Cl)c2)o1 32118749 BIZGSIZJZKAHEM-UHFFFAOYSA-N 414.958 5.029 0 40 HKAB Cc1nc(-c2ccccc2)sc1C(=O)N(C)Cc1nc2ccccc2n1C(F)F 32903359 FZKBTQHMTPYQKR-UHFFFAOYSA-N 412.465 5.136 0 40 HKAB COc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3ccc(C)o3)C[C@H]21 36352259 CVCMWUXOYVCAHG-XXBNENTESA-N 406.507 5.561 0 40 HKAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 44933013 ITHJCTAIEGRMQM-QFIPXVFZSA-N 417.380 5.399 0 40 HKAB O=C(N[C@@H]1CCCc2ccccc21)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 44933015 ITHJCTAIEGRMQM-JOCHJYFZSA-N 417.380 5.399 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(C)c1C 49005047 AYUDZQYFTGHFJS-IBGZPJMESA-N 402.542 5.703 0 40 HKAB COc1cccc(-c2nc(N3CCCCC3)c3oc(-c4ccccc4C)nc3n2)c1 72238496 PJLGRAKJIDXJNR-UHFFFAOYSA-N 400.482 5.259 0 40 HKAB O=C(Cn1nc(-c2ccc3ccccc3c2)ccc1=O)c1ccc(Cl)cc1Cl 72401955 VGSWHVRKQCXPIA-UHFFFAOYSA-N 409.272 5.253 0 40 HKAB CCCCN(CC)C(=O)c1ccc2onc(-c3coc(-c4ccc(C)cc4)n3)c2c1 96037814 CIFFIWVYNWTQJV-UHFFFAOYSA-N 403.482 5.720 0 40 HKAB O=C(Nc1ccc(F)cc1F)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1 96038063 GGJBHOJOVVMVKS-UHFFFAOYSA-N 414.415 5.323 0 40 HKAB CCOc1ccc(NC(=O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)cc1 96315528 JYWCCPCDEBOSNX-UHFFFAOYSA-N 407.470 5.190 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)C[C@@H](O)CC[C@]34C)[C@@H]1C[C@@H](CN1CCCCC1)C2=O 118915073 YHCZRFRDIZKNKD-DBMXSCAASA-N 401.635 5.061 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc(OCc3ccccc3)c2)CC1 218976724 YRGGCWZQXXMMPT-UHFFFAOYSA-N 420.940 5.190 0 40 HKAB Cc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc(Cl)cc1F)CC(C)(C)O2 222859634 HBSNYFAXMNYTNX-GOSISDBHSA-N 407.938 5.439 0 40 HKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 222962332 ZCYNDVDCDAQHFV-DEOSSOPVSA-N 400.522 6.227 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C)c1ccc(C)cc1C 223153672 AJAXKYAFEGHGEW-KDYMBEQYSA-N 416.521 5.243 0 40 HKAB CC(C)CSc1nnc(NC(=O)CSCc2c(Cl)cccc2Cl)s1 223174797 RSHFQFMZFAWKOQ-UHFFFAOYSA-N 422.428 5.465 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccc(C)cc1 223384130 MSBAIOSSQXJJBT-LEYFIJQKSA-N 418.562 5.403 0 40 HKAB CCc1ccc(CC)c(CNC(=O)CSCc2ccc(Br)cc2)c1 224019633 WDSGWKUBOSNUSM-UHFFFAOYSA-N 406.389 5.124 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1c1ccccc1 224174107 HQKLDGKQQPYHFS-XZOQPEGZSA-N 402.567 5.565 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1COc1ccc(-c2ccccc2)cc1 224560877 KPYKSXYVKPVPCO-IBGZPJMESA-N 419.521 5.096 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1CSc1ccccc1 224649722 JKOYJWHRXUVMJZ-UHFFFAOYSA-N 407.535 5.316 0 40 HKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225616736 GTTLZWKLZQTRTE-UHFFFAOYSA-N 411.586 6.298 0 40 HKAB Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3ccc(Cl)c(Cl)c3)oc12 226271399 PFCVLNCARGAGGS-UHFFFAOYSA-N 403.187 5.635 0 40 HKAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)c1 408641488 LXMWSQPIRAZGPI-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cc(C)ccc3C)n2)c1 408697959 KIVVYCSCRDJOLT-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1 409083968 UZGGKVPSWHVYAS-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB Cc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 409096437 FRUWZSXDXCCKEG-UHFFFAOYSA-N 405.954 6.112 0 40 HKAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(F)(F)F)c(-c4ccccc4)c3n2)cc1 409225454 PVWUSFGOWSSBKY-UHFFFAOYSA-N 421.344 6.409 0 40 HKAB O=C(NC[C@@H](c1ccsc1)c1ccco1)C1c2ccccc2Oc2ccccc21 675007630 CCMLYCXLNRQDSK-IBGZPJMESA-N 401.487 5.527 0 40 HKAB COc1ccc(CCCCCC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)cc1 685890676 VPVXYCABOPXKEJ-UHFFFAOYSA-N 424.516 5.485 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccccc3)c2)c1 683213 KSZJDWMXWOHVCG-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1cc(C)c2oc(-c3cc(NC(=O)c4cc5ccccc5o4)ccc3Cl)nc2c1 722612 RNSFRVAEBODUMS-UHFFFAOYSA-N 416.864 6.764 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1C1CCCCC1 924487 RYIQEXJJKWBSSZ-UHFFFAOYSA-N 421.570 5.193 0 40 HKAB COc1ccc(-c2c(C)oc3cc(OC(=O)c4ccccc4Cl)ccc3c2=O)cc1 1317818 FRMLVAXKVHTDOD-UHFFFAOYSA-N 420.848 5.650 0 40 HKAB biogenic Cc1nc(NC(=O)c2cccc(Cl)c2)sc1C(=O)Nc1ccccc1Cl 1379021 KQIHWHYJTNPVEJ-UHFFFAOYSA-N 406.294 5.263 0 40 HKAB Cc1nn(C)c(Sc2cccc(C(F)(F)F)c2)c1C(=O)Nc1ccc(F)cc1 1401152 FZVHRPLIWGEPSB-UHFFFAOYSA-N 409.408 5.290 0 40 HKAB Cc1cccc(-n2c(SCc3ccccc3)nc3sc4c(c3c2=O)CCCC4)c1 1902318 QUXYRPQXRLYJEB-UHFFFAOYSA-N 418.587 5.927 0 40 HKAB COc1cccc(-c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c3ccccc3n2)c1 2083624 DZNKWVMZOBDNLC-UHFFFAOYSA-N 423.299 6.470 0 40 HKAB COc1ccccc1-c1c(C)oc2cc(OCc3ccc(F)cc3Cl)ccc2c1=O 2107260 VPAXBDNKDBODOD-UHFFFAOYSA-N 424.855 6.149 0 40 HKAB biogenic CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC[C@H](c1ccc(O)cc1)C2=O 2121517 DHNRWHTWDGATCC-LJQANCHMSA-N 406.478 5.150 0 40 HKAB biogenic CCCCn1nc(NC(=O)c2ccc(C(C)(C)C)cc2)c2cc3cc(C)ccc3nc21 2396841 TVWHNNWPWIELOF-UHFFFAOYSA-N 414.553 6.243 0 40 HKAB Cc1nn(C2CCCCC2)c2c1[C@H](c1ccc(Cl)cc1Cl)SCC(=O)N2 2444381 OLECGOUPRBODDO-SFHVURJKSA-N 410.370 5.778 0 40 HKAB CCCCCSc1nnc2c(n1)O[C@H](c1ccc(O)c(OC)c1)Nc1ccccc1-2 2742861 YIFNOKGSRADKHD-HXUWFJFHSA-N 424.526 5.038 0 40 HKAB c1cncc(-c2nc(Oc3ccc4c(c3)OCO4)c3c4c(sc3n2)CCCC4)c1 3330536 RMBINBKRVFPARP-UHFFFAOYSA-N 403.463 5.153 0 40 HKAB Cc1nc(NC(=O)c2oc3ccccc3c2C)sc1Cc1ccc2c(c1)OCO2 3385966 PSHNNUUUMVIXOW-UHFFFAOYSA-N 406.463 5.078 0 40 HKAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)C1(c2ccccc2)CCCC1 3455073 ROMOYYCDNJXCJI-UHFFFAOYSA-N 400.526 5.122 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12 3457455 DMZPMLZPMOAYRG-UHFFFAOYSA-N 404.297 5.386 0 40 HKAB O=C(CSc1ccc(Cl)cc1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@H]21 4040097 MXVWFHDTTFTQLY-NYHFZMIOSA-N 411.910 5.109 0 40 HKAB COc1ccc(-c2c(C)c3ccc(OC(=O)c4ccccc4F)cc3oc2=O)cc1 4340265 YNDURLXZEKTEKA-UHFFFAOYSA-N 404.393 5.135 0 40 HKAB biogenic CCOc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3ccc(C)o3)C[C@H]21 4715704 PYHRESQXTDAVMZ-HYBUGGRVSA-N 420.534 5.951 0 40 HKAB CCN(CC)P(=NC(=S)NCc1ccccc1)(c1ccccc1)N(CC)CC 5259528 GEUXPBSJMCBPGF-UHFFFAOYSA-N 416.575 5.101 0 40 HKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(NCCC(C)C)ncnc32)cc1 6870513 VRSIESAMOUKHIU-UHFFFAOYSA-N 400.526 5.944 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 6966322 YOGAJHAQADHRCG-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc(COc3ccc(Cl)cc3)n2C)c1 7236247 UOWKIUFQODBCIT-OAHLLOKOSA-N 415.946 5.028 0 40 HKAB Cc1cc(C)cc(/N=c2\scc(-c3ccc4c(c3)OCCO4)n2C[C@@H]2CCCO2)c1 7654655 VXEQIPBJYUHMPD-NJGFXUCASA-N 422.550 5.016 0 40 HKAB CCOc1ccc([C@@H](C)Nc2nc(C(F)(F)F)nc3ccccc23)cc1OCC 7989437 LMTZADGRDOUWJK-CYBMUJFWSA-N 405.420 5.619 0 40 HKAB Clc1ccc(Cl)c(OCCSc2nnc(-c3c[nH]c4ccccc34)o2)c1 8184707 DSIAHPWWLOUDQN-UHFFFAOYSA-N 406.294 5.696 0 40 HKAB COc1ccc2oc(-c3ccc(C)c(NC(=O)COc4cccc(C)c4)c3)nc2c1 8320834 YLMWFRGKYDLPAG-UHFFFAOYSA-N 402.450 5.138 0 40 HKAB O=C(Nc1ccc(Cl)cc1)OC/C=C/COc1ncc(C(F)(F)F)cc1Cl 8781663 DCVZXWCMVSHRKF-OWOJBTEDSA-N 421.202 5.591 0 40 HKAB Cc1cc(NC(=O)[C@@H](C)Sc2nc(-c3cccs3)c(-c3cccs3)[nH]2)no1 9198637 GSTDFXVTDCXJAM-LLVKDONJSA-N 416.553 5.282 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1 9368409 SSOOIDRCXAIIPX-VWLOTQADSA-N 413.521 5.222 0 40 HKAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1cnn(Cc2ccccc2)c1 9547921 WOECBCAUDNAACE-UQBPGWFLSA-N 408.505 5.259 0 40 HKAB O=C(COc1ccc(-c2ccccc2)cc1)Nc1cc2c(cc1Cl)OCCCO2 11231056 WJAFNDNPNAOGQM-UHFFFAOYSA-N 409.869 5.186 0 40 HKAB COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 12192546 SMEZCCDUTACTOW-UPVQGACJSA-N 404.897 5.899 0 40 HKAB CCc1sc(-c2nnc(CN[C@@H](c3ccc(C)cc3)c3cccs3)o2)cc1C 12905770 RYGZRBZTPFGPDE-NRFANRHFSA-N 409.580 5.918 0 40 HKAB CC(C)(C)c1nc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)no1 12913059 XWYVHQWWYYMYDR-UHFFFAOYSA-N 403.511 5.178 0 40 HKAB O=C(c1sccc1-c1ccccc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 14180694 SMVWYGULISBNPP-QGZVFWFLSA-N 404.560 6.045 0 40 HKAB O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(-c2ccccc2F)o1)c1ccccc1 14241414 DXPUXKMFXGNANL-LJQANCHMSA-N 423.444 5.487 0 40 HKAB Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1C[C@@H]1CCCO1 14426123 FSCBUYSNRUARMQ-WBNHJWIASA-N 418.324 5.136 0 40 HKAB O=C(Nc1nc2c(s1)CCCCC2)c1nc(Cl)c(Cl)c(Cl)c1Cl 14554250 XLSXMXHGVOBKSN-UHFFFAOYSA-N 411.141 5.673 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(SC(C)C)cc4)cc3)sc2c1 15883831 SLPVEZMXNVWAFT-UHFFFAOYSA-N 418.587 7.025 0 40 HKAB CCCCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 17270022 SIPXIFXDHNNLFQ-UHFFFAOYSA-N 416.546 6.785 0 40 HKAB CCCN(CCC)c1nc(Nc2ccc(C)c(C)c2)c2cnn(-c3ccccc3)c2n1 17271721 XIDKMXQKYZIEBC-UHFFFAOYSA-N 414.557 5.802 0 40 HKAB COc1ccc2cc([C@H](C)C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)ccc2c1 21915192 GKUYLLIYPIFIKW-HNNXBMFYSA-N 401.428 5.629 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2nc3ccccc3o2)CC1 21915480 OTEOZLWIIJSTIY-CYBMUJFWSA-N 419.308 5.308 0 40 HKAB CC(C)N1CCc2c(sc(NC(=O)C(C)(C)C)c2-c2nc3ccccc3s2)C1 23153863 YIIDNFKMAHRJOI-UHFFFAOYSA-N 413.612 5.776 0 40 HKAB COC(=O)c1sc(Sc2ccc(Cl)cc2)c(NC(=O)c2ccccc2)c1N 27562661 ZWYGNINAZYEOTN-UHFFFAOYSA-N 418.927 5.174 0 40 HKAB CCCCOc1ccccc1C(=O)NC[C@@H](c1ccc(CC)cc1)N1CCCCC1 28293441 YMOPUNOMYAHZQT-DEOSSOPVSA-N 408.586 5.385 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(NC(=O)c4cccs4)cc3)CCCC2)cc1 30822861 FFVYVALNTKUXJV-UHFFFAOYSA-N 404.535 5.759 0 40 HKAB O=C(NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12)[C@@H]1CCCO1 32994591 ZFZHPSLUDNOEEF-UPVQGACJSA-N 410.517 5.262 0 40 HKAB Cc1ccc(Nc2c(-c3ccccc3O)nc3cc(C)ccn23)c(Br)c1 35616444 JSYVVMFLLPPNDR-UHFFFAOYSA-N 408.299 5.830 0 40 HKAB CCOc1ccc(-c2nc(NC(=O)c3oc4c(c3C)C(=O)CCC4)sc2C)cc1 40128954 MERTUGFNHZDVLB-UHFFFAOYSA-N 410.495 5.190 0 40 HKAB Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)Nc1ccccc1C(C)C 40134508 YGJHORFVQDIKGJ-UHFFFAOYSA-N 416.447 5.208 0 40 HKAB Clc1ccc([C@@H](Cn2ccnc2)OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 44136501 SZRYZAYGHYHAFH-GOSISDBHSA-N 416.135 6.455 0 40 HKAB in-vitro CCOc1ccc(-c2csc3c(=O)n(Cc4cccc(C)c4)cnc23)cc1OCC 44167034 QPHONEIEDVXAPN-UHFFFAOYSA-N 420.534 5.279 0 40 HKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NC3CCCCC3)c2c1 57577523 QUDXOWOPKUSYID-UHFFFAOYSA-N 423.557 5.539 0 40 HKAB FC(F)(F)c1ccccc1CNc1nc2c(-c3ccccc3)nnn2c2ccccc12 67262202 VDPXWHWSBJVDJP-UHFFFAOYSA-N 419.410 5.575 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)ccc1Cl 72230054 XOTHNGSWTGSCNK-QFIPXVFZSA-N 416.304 5.401 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1 72230095 ULDBDYFHIDVUJT-ZFBAEGHFSA-N 405.925 6.197 0 40 HKAB CC[C@@H](NC(=O)c1ccccc1)c1nc(-c2cccc(Br)c2)cs1 72289888 UCUDHVBGWRBIPU-MRXNPFEDSA-N 401.329 5.454 0 40 HKAB CC(C)(C)c1ccc(C(=O)NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2)cc1 72332496 BLIUGPBOXAZYJN-SGEDCAFJSA-N 424.500 5.533 0 40 HKAB OC1=C2C(=Nc3ccccc3S[C@H]2c2ccc(C(F)(F)F)cc2)c2ccccc21 101429186 IHGOVCRMIFQTDD-QFIPXVFZSA-N 409.432 6.956 0 40 HKAB COc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3cccnc3)C[C@@H]21 102045836 DWHXSYLAXCTONE-REWPJTCUSA-N 403.507 5.054 0 40 HKAB CC[C@@]1(C)C[C@@H]([C@H](CCN(Cc2ccccc2)C(C)=O)c2ccc(OC)cc2)CCO1 102807074 SJNCWJQRIMYGPD-OIKPOIBNSA-N 423.597 5.813 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 223012113 VJGHTTSKZQJZTJ-MRXNPFEDSA-N 406.231 6.117 0 40 HKAB Cc1cc(C)c([C@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1C 223400231 RNISULFCLQILGI-WEKPXBEKSA-N 403.953 6.683 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1 224200508 AOSIDKSMSIIHMG-GOSISDBHSA-N 423.940 6.035 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3OC)c2)cc1 224246512 PFYBGVHIHGTHBC-UHFFFAOYSA-N 419.521 5.878 0 40 HKAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C 224461458 VRXWVVKBBDJMJM-NHCUHLMSSA-N 410.974 5.350 0 40 HKAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(Br)c(C)c1)CC(C)(C)O2 225673785 SZUCAFXVIAVYSF-KRWDZBQOSA-N 419.388 5.655 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)c1cc2cc(Cl)ccc2oc1=O 226042138 IARMXZINYASGGN-UHFFFAOYSA-N 407.878 5.850 0 40 HKAB CC(C)n1ccc2ccc(C(=O)N3CCCC4=C[C@H]5C[C@H](CN6CCCC[C@H]56)[C@@H]43)cc21 257198785 IFQVDHKHKVDYQC-POMLREGLSA-N 417.597 5.257 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]21)c1ccccc1 408623954 SYBTWNANZHDTAD-NBJYBMASSA-N 410.300 5.389 0 40 HKAB O=C(Oc1ccc(-c2ccccc2)cc1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 408668790 RBRGNPYIMPNIOS-QFIPXVFZSA-N 407.469 5.465 0 40 HKAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 408979451 QPPKZMCWRAXXHS-MRXNPFEDSA-N 421.456 5.741 0 40 HKAB Cc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 409110786 YPPSOPVKWYMVBY-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(C2CCCCC2)s1 792550 JXFSWDPLZVMGJR-UHFFFAOYSA-N 402.907 5.455 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nnc3cc(C)c4cc(C)cc(C)c4n23)c1 902957 UNWDXKIBBJWXEF-UHFFFAOYSA-N 404.539 5.155 0 40 HKAB CCCc1nc(SCC(=O)Nc2nc(C)c(C)s2)c2c(C)c(C)sc2n1 1372200 SBUIGDGNAIIZAZ-UHFFFAOYSA-N 406.602 5.065 0 40 HKAB Clc1ccc(-c2nc3ncccc3n2OCc2ccc(Cl)cc2Cl)cc1 1396608 MUJJVOPUEWZYCX-UHFFFAOYSA-N 404.684 5.687 0 40 HKAB CC[C@]1(C)Cc2ccccc2-c2nc(SC(C)C)n(Cc3ccccc3)c(=O)c21 1804770 UDZBQBZMAUNRND-RUZDIDTESA-N 404.579 5.683 0 40 HKAB CCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 2052940 VYMZOAXTAAHOCZ-UHFFFAOYSA-N 406.265 5.141 0 40 HKAB Clc1ccc(-c2nc(Oc3ccc(-c4ccccc4)cc3)c3ccccc3n2)cc1 2266519 NEEKHXMYEZNGOU-UHFFFAOYSA-N 408.888 7.410 0 40 HKAB CCC(=O)c1c(-c2ccc(F)cc2)c2c3n(c(-c4ccc(Cl)cc4)cn13)CCCC2 2413415 GTPBFZYFUFYPDP-UHFFFAOYSA-N 420.915 6.796 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cc(Cl)ccc1Cl 2589472 KUAHALKVHCIBCI-UHFFFAOYSA-N 417.258 6.255 0 40 HKAB COc1ccc(-c2nnc3c4cc(C)ccc4n(Cc4cccc(OC)c4)cc2-3)cc1 2692222 UUUSONPBBQKYIM-UHFFFAOYSA-N 409.489 5.577 0 40 HKAB Clc1ccc(Cl)c(-c2ccc(-c3nn4c(-c5ccco5)nnc4s3)o2)c1 2706923 DGRFJBBUGVTLLS-UHFFFAOYSA-N 403.250 5.680 0 40 HKAB CCCCC[C@H](C)Cn1c(SCC(N)=O)nnc1-c1ccc(C(C)(C)C)cc1 3457857 TXOTXDWIVRRWNG-INIZCTEOSA-N 402.608 5.036 0 40 HKAB Cc1c(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)oc2ccccc12 3655340 SIYNBPNREMKIJQ-UHFFFAOYSA-N 413.404 6.110 0 40 HKAB CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 4309617 UYJMAOUZBPZVAZ-UKILVPOCSA-N 400.478 5.336 0 40 HKAB COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2C(=O)CC(C)C)cc1 4816877 USYZZHXKEWYXNK-RTWAWAEBSA-N 424.932 5.054 0 40 HKAB CCCCC(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 4823819 PCLISMWNADQHIR-UHFFFAOYSA-N 414.461 5.408 0 40 HKAB Cc1ccc(C2=NN(C(=O)CSc3nc4ccccc4o3)[C@@H](c3ccco3)C2)cc1 5034208 CKPYBXPIUZPYQJ-LJQANCHMSA-N 417.490 5.199 0 40 HKAB CCOc1ccc(NC(=O)CCCCCCCCCCCc2ccc(C)cc2)cc1 5043733 YKCGUKBHPNCRMG-UHFFFAOYSA-N 409.614 7.476 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1NC(=O)c1ccco1 5938384 KDYZILSZHFQYJC-UHFFFAOYSA-N 412.445 5.885 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc3)sc2c1 5942862 YELOCECXXLNCNB-WLRTZDKTSA-N 404.922 6.577 0 40 HKAB CCCCCCSc1nc2ccccc2n1CC(=O)Nc1cc(C)ccc1OC 5978104 HDBUOYUNABKOMR-UHFFFAOYSA-N 411.571 5.664 0 40 HKAB CCc1ccccc1NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1CC 6356442 XAGVFVLLXBOAKN-UHFFFAOYSA-N 406.511 5.004 0 40 HKAB COc1ccc2c(-c3ccccc3)cc(SCc3nc4ccccc4s3)nc2c1 6589308 PLPSHUBMFDNTLB-UHFFFAOYSA-N 414.555 6.812 0 40 HKAB O=C(Cc1ccccc1)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 6615926 LXAAKQLTLQDJIF-UHFFFAOYSA-N 403.532 5.019 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2ccc(C)cc2)sc2c1CCCC2 6955673 WJLLXZPSPXLDLO-CQSZACIVSA-N 403.569 5.231 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)cc2)cc1 7881811 JXYPXDFZSHSEIQ-LJQANCHMSA-N 400.478 5.087 0 40 HKAB COc1cc(CNc2ccccc2C(=O)Nc2ccc(F)cc2)ccc1OC(F)F 8130633 HXGZBWWVQDPSOQ-UHFFFAOYSA-N 416.399 5.300 0 40 HKAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3c(F)cccc3Cl)cc21 8959769 ATTFMVSEGFXLKL-UHFFFAOYSA-N 418.896 5.139 0 40 HKAB COc1ccccc1-c1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1 9471846 WWSAURQLQUXLKI-UHFFFAOYSA-N 422.444 5.213 0 40 HKAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(C)c(Cl)c3)cs2)cc1 9625423 QPPHPHYEERQMOF-UHFFFAOYSA-N 414.918 5.239 0 40 HKAB CC(C)(C)c1ccc(-c2cc(=O)c3cc(NC(=O)C4CCCCC4)ccc3o2)cc1 9660158 JLJINGHEDGISPC-UHFFFAOYSA-N 403.522 6.276 0 40 HKAB biogenic Cc1cc(O)ccc1Nc1nc(-c2sc(NC(=O)c3ccccc3)nc2C)cs1 9908177 YWQISBMKMUQFRD-UHFFFAOYSA-N 422.535 5.585 0 40 HKAB Cc1ccccc1CS(=O)(=O)Nc1ccccc1SCc1ccc(Cl)cc1 10112685 ABCWKFRXONNLEB-UHFFFAOYSA-N 417.983 5.883 0 40 HKAB CN(C(=O)CC1CCCC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 12237268 QPSWINLBDMPVQS-UHFFFAOYSA-N 423.582 5.042 0 40 HKAB Cc1noc(CSc2ccccc2C(=O)Nc2ccc(-c3csc(C)n3)cc2)n1 12787174 MVHGONZWGAWDGM-UHFFFAOYSA-N 422.535 5.355 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)c(C)c1 12855678 VTGWJPNIVNHZLQ-UHFFFAOYSA-N 410.583 5.439 0 40 HKAB CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1-c1ccccc1C 12913070 VFMMGRDSTTUFPB-UHFFFAOYSA-N 411.918 5.269 0 40 HKAB CCCCN(C(=O)c1ccc(OCc2csc(C)n2)c(OC)c1)c1ccccc1 12917872 QBHMHCBDHBSGCO-UHFFFAOYSA-N 410.539 5.486 0 40 HKAB C[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1cccc2ccccc12 13069702 PRIIBONCNPUCDX-IBGZPJMESA-N 423.516 5.381 0 40 HKAB Clc1cccc(Cl)c1[C@H]1C=C(c2ccc(-c3ccccc3)cc2)N=C2NN=NN21 13810882 FOGLZPFCIIFPGZ-HXUWFJFHSA-N 420.303 6.300 0 40 HKAB COc1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)sc2c1 16346838 KTOFIEAPLPZOJL-JXMROGBWSA-N 424.909 6.179 0 40 HKAB S=C(NCc1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1Oc1ccccc1 17089409 JXCIMJOOWYLVFK-UHFFFAOYSA-N 412.898 5.348 0 40 HKAB Cc1ccc(CNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 22076729 BKLJAWCJKOSQRZ-UHFFFAOYSA-N 420.767 6.824 0 40 HKAB O=C1CCCN1c1cc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)ccc1Cl 24471569 CAXKGNSIIGJBBC-UHFFFAOYSA-N 422.834 5.079 0 40 HKAB S=C(Nc1cn(-c2ccccc2)nc1-c1ccccc1)OCc1ccccc1Cl 26780070 RKFSMCMBLMZRAS-UHFFFAOYSA-N 419.937 6.106 0 40 HKAB Cc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2ccc(F)cc2)cc1 27793490 BAGYXUWZIKOLEX-VWLOTQADSA-N 402.469 5.242 0 40 HKAB COc1ccc(CC(=O)Nc2nnc(-c3ccc(-c4cccc(F)c4)cc3)s2)cc1 27914066 XSGRIGMPGONJQG-UHFFFAOYSA-N 419.481 5.201 0 40 HKAB O=C(COc1ccc(Cl)cc1)N(Cc1ccc(F)cc1Cl)c1ccccn1 28292127 FBUYKFHKSKZLIF-UHFFFAOYSA-N 405.256 5.140 0 40 HKAB Cc1oc(-c2cccs2)nc1CC(=O)N(Cc1c(F)cccc1Cl)C1CC1 32900464 YPAKVRMQPRHCLQ-UHFFFAOYSA-N 404.894 5.238 0 40 HKAB O=c1c2c(ncn1Cc1ccccc1)c1ccccc1n2Cc1c(F)cccc1Cl 35400179 MANROIWSXLTHOG-UHFFFAOYSA-N 417.871 5.240 0 40 HKAB c1ccc(CC2CCN(c3nc(N4CCCCCC4)c4ccccc4n3)CC2)cc1 41149318 ILNKDFYZEUEGQH-UHFFFAOYSA-N 400.570 5.469 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 44933473 IENGWRYSHIUWHY-MRXNPFEDSA-N 405.369 5.391 0 40 HKAB CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1ccco1)Cc1ccccc1Cl 57614074 QNTIILOTWRKPGY-HXUWFJFHSA-N 415.969 5.464 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2F)cc1 67297679 PNGYTKGTVMDWFR-VYIQYICTSA-N 422.843 5.719 0 40 HKAB CC1(C)CC[C@]2(C)CC=C3[C@@]4(C)CC[C@@H]5C(C)(C)C(=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2C1 85918503 DBCAVZSSFGIHQZ-WXWBZGHXSA-N 424.713 8.377 0 40 HKAB biogenic O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(I)cc1 96506108 SRRHWZAHWIWPQI-UHFFFAOYSA-N 415.230 5.336 0 40 HKAB CCOc1ccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3ncnn32)cc1OC 101514339 JWNOKWHUAWTYIG-HSZRJFAPSA-N 424.504 5.408 0 40 HKAB Cc1ccc(COc2ccc(Br)cc2CNc2ccc(Cl)cc2)cc1 106974539 STLMUFBTIXJLEL-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB CO[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCC(=O)O)C1 123294660 JUPFWUQPXGJVAK-ILARGJEUSA-N 404.591 5.340 0 40 HKAB CCOc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc(Cl)c1OC 211505032 NYZPEOXVMIVMEJ-YBEGLDIGSA-N 405.859 5.106 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 216269413 QQRHDJKCCGRAAK-VWLOTQADSA-N 419.590 6.505 0 40 HKAB CC[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccc(OC)c(OC)c1 219007030 LKQBACBTNKNKCM-QHCPKHFHSA-N 403.522 5.370 0 40 HKAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccccc1Cl 224138429 COQAPTLRWOWENF-UHFFFAOYSA-N 407.897 5.126 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2ccc(OC)cc2)c1 224263944 NJWDLGVRHQQRLY-UHFFFAOYSA-N 405.494 5.406 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1c1ccc(Oc2ccccc2)cc1 224626310 HNLRYXJCRYXJKU-XZOQPEGZSA-N 412.518 5.379 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3Cl)o2)cc1 224917777 HLDJTJBAMBFLPK-UHFFFAOYSA-N 418.880 6.313 0 40 HKAB O=C(NCCc1ccccc1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224958782 FJHFPOAXJBPWOU-UHFFFAOYSA-N 402.881 5.635 0 40 HKAB O=C(O)[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)Sc1ccc(Cl)cc1 225134881 QRNRYZUVXHPHGD-FQEVSTJZSA-N 419.329 6.574 0 40 HKAB S=C(NCCSc1ccc(Cl)cc1)Nc1ccc(Br)cc1 225287678 VMPMADSHVFCPOY-UHFFFAOYSA-N 401.782 5.181 0 40 HKAB Cc1cccc(CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)c1 225392026 WGMBKLRLLUDSAO-UHFFFAOYSA-N 406.620 6.207 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C(F)(F)F 225759622 PNWJXOVFCUNSFV-UHFFFAOYSA-N 405.460 6.253 0 40 HKAB COc1c(C(=O)Nc2c(C)cc(N)cc2Cl)cc2ccccc2c1Br 227144978 MUHXPUVXNNHZLC-UHFFFAOYSA-N 419.706 5.407 0 40 HKAB O=C(Oc1ccc(Cc2ccccc2)cc1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 408657022 IEYKPDAFNRGACL-QHCPKHFHSA-N 421.496 5.389 0 40 HKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccc(Cl)cc2)nc1-c1ccccc1 408693751 CZLOVPAZFZXJRS-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB CN(C(=O)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)c1ccccc1 408977394 IRENTCARYZFOHD-UHFFFAOYSA-N 408.465 5.288 0 40 HKAB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1 409000017 DMNXLIHGFSQMFO-QHCPKHFHSA-N 402.494 5.243 0 40 HKAB C=C1[C](O)C[C@H](O)C/C1=C/C=C1/CCC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)/C=C/[C@@H](O)C1CC1 1560406226 NIOJURYIEIYJOP-APIDNODHSA-N 411.606 5.634 0 40 HKAB CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1 870530 GWDQNILHJYBECH-UHFFFAOYSA-N 414.534 5.363 0 40 HKAB Cc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc(F)cc1 984183 XRZJURDGAPALJE-UHFFFAOYSA-N 406.844 5.524 0 40 HKAB aggregator c1ccc2c3c(c4c(c2c1)CN(C1CCCCC1)CO4)OCN(C1CCCCC1)C3 1719315 JCLIEBYLAUQEAC-UHFFFAOYSA-N 406.570 5.809 0 40 HKAB Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3c(Cl)cccc3Cl)ccc12 2147702 VZHLTZNWRWATAA-UHFFFAOYSA-N 407.249 5.004 0 40 HKAB biogenic Cc1ccc(OCc2nnc(SCc3cccc(C)c3)n2-c2ccc(C)cc2)cc1 2224870 JUWNXHVMJXJJJF-UHFFFAOYSA-N 415.562 6.064 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cc5ccccc5oc4=O)cc3)sc2c1 2362079 DITVEUBQRRWBRG-UHFFFAOYSA-N 412.470 5.630 0 40 HKAB COc1ccccc1NCC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 2887615 USHMGWQJHNUVJN-UHFFFAOYSA-N 422.337 5.100 0 40 HKAB Clc1cccc(N2CCN(c3nc(-c4cccs4)nc4ccccc34)CC2)c1 3355602 QGICHMBININTKT-UHFFFAOYSA-N 406.942 5.338 0 40 HKAB CN(C)CCCN(Cc1ccccc1)C(=S)Nc1ccc(SC(F)F)cc1 3421984 KHGLQHIIRGJDIY-UHFFFAOYSA-N 409.571 5.152 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2CCCc2ccccc2)CN1Cc1ccccc1 4033516 GWDYIVBVHIMSBR-QHCPKHFHSA-N 409.533 5.185 0 40 HKAB Cc1ccc2ccccc2c1COc1ccc2c(C)c(CCC(=O)O)c(=O)oc2c1C 4046710 UBYNLIJYLGVVKK-UHFFFAOYSA-N 416.473 5.468 0 40 HKAB biogenic O=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccc(Cl)cc1Cl 4092548 BKRHVTUEHCGVJS-UHFFFAOYSA-N 414.336 5.256 0 40 HKAB O=c1c(Sc2ccc(Cl)cc2)c(O)cc(-c2ccccc2)n1-c1ccccc1 4114596 HMRIXOWSXSYQKC-UHFFFAOYSA-N 405.906 6.015 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccccc4F)o2)N3)C1 4523661 PBAXDNDAOZDZOU-LRTDBIEQSA-N 424.541 6.152 0 40 HKAB COc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(C(C)(C)C)cc1)O2 4850965 BGVVYWWQBQMVOY-AHWVRZQESA-N 412.533 6.235 0 40 HKAB CCOc1ccc([C@H]2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccccc2)cc1 4955057 CHZKWVBRWRDWRN-DEOSSOPVSA-N 413.452 5.364 0 40 HKAB Clc1ccccc1NCc1nnc(SCc2ccccc2)n1-c1ccccc1 4959790 BYHZPDNERQRLKU-UHFFFAOYSA-N 406.942 5.825 0 40 HKAB Brc1ccc(Cn2c(SCc3ccccc3)nc3ccccc32)cc1 5238751 SOJGCCNBKFPYHZ-UHFFFAOYSA-N 409.352 6.139 0 40 HKAB CC(C)c1nc2sc3c(SCCN4CCCCC4)ncnc3c2c2c1CCC2 5253956 KYLWIXJJRKVKMJ-UHFFFAOYSA-N 412.628 5.430 0 40 HKAB CCCn1nc(NC(=O)c2ccc(C(C)(C)C)cc2)c2cc3cccc(C)c3nc21 5478311 AMWSLMHQLWLJRJ-UHFFFAOYSA-N 400.526 5.853 0 40 HKAB CC1(C)Cn2c(nc3cccc4cccc2c43)-c2nc3cccc4cccc(c43)n2C1 5607469 FPUVPFZXFJTAEP-UHFFFAOYSA-N 402.501 6.399 0 40 HKAB Nc1nc(=S)[nH]c2sc3c(c12)C[C@@H](c1ccccc1)S[C@H]3c1ccccc1 5650111 NYQMACXJRIQVAL-RDJZCZTQSA-N 407.589 6.056 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5758803 JQMQKOQOLPGBBE-BUYVBUJJSA-N 402.663 6.648 0 40 HKAB in-vitro Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)ccc4o3)c2)c(Cl)c1 5815152 WDFWNHRDDIGKOI-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1 6215876 ARJHELSGZFHJNP-UHFFFAOYSA-N 406.869 6.026 0 40 HKAB CC(=O)Nc1cccc(N[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)c1 7224482 QVPRBLFQGUVUNW-JOCHJYFZSA-N 407.901 5.399 0 40 HKAB COC(=O)c1ccc(CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1 7735755 ZNEXDJIVHLNHKO-UHFFFAOYSA-N 408.957 5.396 0 40 HKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1C 8048970 IFIHJZSXKMCFJM-DEOSSOPVSA-N 405.563 6.392 0 40 HKAB CCc1cccc(N(C(=O)[C@@H]2COc3ccccc3O2)c2nc3ccccc3s2)c1 8192953 BDQLQMSXPVKSDL-NRFANRHFSA-N 416.502 5.363 0 40 HKAB COc1ccc2c(C)cc(SCC(=O)c3ccc(Br)cc3)nc2c1 8409922 LUHMTFRBSRTRMA-UHFFFAOYSA-N 402.313 5.289 0 40 HKAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)C1=Cc2ccccc2OC1 8753720 MIGVZNBLKPBHHA-UHFFFAOYSA-N 416.424 5.167 0 40 HKAB O=C(NCc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1)OCC(F)(F)F 8762395 HLHVMQMZHDIEOT-UHFFFAOYSA-N 421.202 5.034 0 40 HKAB O=C(c1ccccc1)N1CCc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2C1 9038348 ZAVLFKFKLNWRGL-UHFFFAOYSA-N 414.549 5.040 0 40 HKAB Cc1c(C)n(Cc2cccnc2)c2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c12 9341616 PTRJHNSKNRMYLC-UHFFFAOYSA-N 423.307 5.113 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)Cc1csc(COc2ccc(F)cc2)n1 9481627 NYBGNSGYTBJOQM-CQSZACIVSA-N 413.543 5.664 0 40 HKAB Cn1c(Cc2cccc3ccccc23)nnc1SCc1ccc(Br)cc1 9601541 CFAJVUFXPVMSHK-UHFFFAOYSA-N 424.367 5.614 0 40 HKAB Cc1nc(-c2cccc(NC(=O)c3c(C)nn(Cc4ccccc4)c3Cl)c2)cs1 9669851 KWFLQQRIVFHNAW-UHFFFAOYSA-N 422.941 5.577 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)CCc1ccccc1Cl)c1ccccc1 10457957 XCVQSBLKTARSMU-KRWDZBQOSA-N 406.913 5.402 0 40 HKAB CC[C@H](NC(=O)c1sc(NC(=O)c2ccco2)cc1C)c1ccc(Cl)cc1 11739829 MPBLMQXRIYHTHV-HNNXBMFYSA-N 402.903 5.436 0 40 HKAB Cn1/c(=N\C(=O)COc2ccc(Cl)cc2Cl)sc2c3ccccc3ccc21 11852852 IRGLFKUDPDSHBJ-BSYVCWPDSA-N 417.317 5.206 0 40 HKAB Nc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccn2c1C(=O)c1ccccc1 12342113 CAOTXLXNCMSNHS-UHFFFAOYSA-N 424.287 5.312 0 40 HKAB Cc1cc(C)c(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c(Cl)c1 12767931 ARNWLJCAMLMKHN-UHFFFAOYSA-N 402.966 5.008 0 40 HKAB Cc1ccc(Oc2ccccc2NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 13020536 CRNFOSBHBQJGFT-HNNXBMFYSA-N 404.491 5.472 0 40 HKAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1 13097154 QOMQHTKUDVDKSR-CYBMUJFWSA-N 400.466 5.086 0 40 HKAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc4ccccc4c3)c2C1 13129720 QUVGFMWAYPYZBA-QGZVFWFLSA-N 424.500 5.308 0 40 HKAB COc1cc(/C=C2\SC(=O)N(Cc3ccc4ccccc4c3)C2=O)cc(OC)c1 13146164 XATAOOHAYHHFQY-MTJSOVHGSA-N 405.475 5.094 0 40 HKAB Cc1nn(-c2ccccc2)c2nc(-c3ccc(N(C)C)cc3)c3c(c12)CC(C)(C)CC3=O 16266547 UXTQNFZIGUREAP-UHFFFAOYSA-N 424.548 5.617 0 40 HKAB O=c1c2ccccc2nc(/C=C/c2cccc(Br)c2)n1-c1ccc(O)cc1 16525218 XWPFAKLRZIYFKY-MDWZMJQESA-N 419.278 5.024 0 40 HKAB Clc1ccc(COc2ccc3ccccc3c2CNCc2ccccc2Cl)cc1 16525993 GRMXFCZXIZHMER-UHFFFAOYSA-N 422.355 7.015 0 40 HKAB CCc1ccccc1N1C[C@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O 16776827 MPOJBJDAFJGLAS-UQNNOOFXSA-N 421.544 5.833 0 40 HKAB CNc1snc(C)c1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 21206453 LOKSDUAHHDTGBC-UHFFFAOYSA-N 413.355 5.100 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)Cc4cc(-c5ccco5)on4)cc3)sc2c1 23127249 MNVQSSBRYJBXRE-UHFFFAOYSA-N 415.474 5.701 0 40 HKAB CCC(=O)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccccc4)nn13)CCCC2 27526397 HDYYSQWYKHXLRX-UHFFFAOYSA-N 403.913 6.052 0 40 HKAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)c1ccc(-c2ccccc2)cc1 28303791 JCHZPDOCDITAPG-UHFFFAOYSA-N 415.924 6.121 0 40 HKAB CCCOc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)c2cccnc12 32593286 ZKHSZGPKRWPQIX-UHFFFAOYSA-N 405.281 5.348 0 40 HKAB O=C(Nc1ccc(Br)cn1)c1cc(-c2ccccc2)nc2ccccc12 46085453 XKXHAZRMQZQQCO-UHFFFAOYSA-N 404.267 5.312 0 40 HKAB O=S(=O)(NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1)c1ccc(F)cc1 49597423 JMCDNEOLOIFDRT-UHFFFAOYSA-N 424.522 5.095 0 40 HKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 59294591 HOKBYBOBXKQGJJ-UHFFFAOYSA-N 402.210 5.264 0 40 HKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 59507292 ARIQPADSCAHARE-BKUYFWCQSA-N 424.283 5.917 0 40 HKAB CC1CCN(c2cc(NC(=O)c3ccc(Cl)cc3Cl)c(Cl)cc2N)CC1 72229419 ZKHRKSFQYNTQJT-UHFFFAOYSA-N 412.748 5.718 0 40 HKAB COc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)c1 72349052 OUYLMWQMFRYSIY-HSZRJFAPSA-N 414.549 5.020 0 40 HKAB CCc1c(Br)c(N)c(Br)c2nc(-c3ccccc3C)oc12 73642703 YMOFLMSRLSALTI-UHFFFAOYSA-N 410.109 5.473 0 40 HKAB CC(C)=CCC/C(C)=C\CC/C(C)=C\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1 77922777 FGYKUFVNYVMTAM-YMCDKREISA-N 410.642 8.292 0 40 HKAB Clc1ccc(NCc2cc(Br)ccc2OCc2ccccc2)cc1 107028309 QSWDAEOEKOFAPR-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1OCc1ccccc1 218987763 CHOVUGUMSLHNGI-QFIPXVFZSA-N 417.505 5.306 0 40 HKAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCSc1ccc(Cl)cc1 219455140 VNYMHCDEVQRAFG-UHFFFAOYSA-N 424.953 5.142 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Oc2ccccc2)cc1 223162486 IYIHOTNGMZNBAT-VWLOTQADSA-N 401.506 6.154 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1C(C)C 223264936 WXJDMJIXIKFBMO-HEWZJLJBSA-N 406.353 6.324 0 40 HKAB CCOC(=O)c1cc(NC(=O)CSCc2ccc(Cl)cc2F)ccc1Cl 223335295 DEENKFMGJAZEEZ-UHFFFAOYSA-N 416.301 5.181 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 223938327 UHCXAFDDOSZTJC-UHFFFAOYSA-N 422.550 5.173 0 40 HKAB CCc1ccccc1NC(=O)c1ccc(OC)c(COc2ccc(Cl)c(C)c2)c1 224203791 KUTLAMPDFOYBAF-UHFFFAOYSA-N 409.913 6.051 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)c1 224252296 PHOXIBPKCLKCCR-BJKOFHAPSA-N 416.594 5.874 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1ccc(Cl)cc1 224500660 KQRYLLZULXRLFK-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB Cc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224747614 VUCKMEIAAANZQV-QFIPXVFZSA-N 420.597 5.102 0 40 HKAB CCCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 225269247 MKDQEFKKWINCDK-RUZDIDTESA-N 420.597 5.184 0 40 HKAB O=C(Nc1ccc(OCCN2CCCCCC2)cc1)C1(c2ccccc2)CCCCC1 225534427 QVLBHGIGFMBBKW-UHFFFAOYSA-N 420.597 5.782 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225575724 JMZYGRRMJRYNCV-UHFFFAOYSA-N 415.723 5.637 0 40 HKAB Fc1ccccc1CSCCCNC(=S)Nc1ccc(C(F)(F)F)cc1 225612490 WVOVKOTTZXSFET-UHFFFAOYSA-N 402.482 5.454 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)Cc3cccc(Br)c3)ccc21 225619807 JLCLKSMABJUXRL-UHFFFAOYSA-N 407.311 5.758 0 40 HKAB CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cccc3ncccc23)C1 257262400 LLFOURXPEYLPHQ-GOSISDBHSA-N 415.562 5.141 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]12C 257350319 WHZUCKVXGABTPN-UOCHIZNBSA-N 413.734 7.958 0 40 HKAB O=C(O)c1cccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc23)c1 408602898 BHDVFMYARBSEBF-UHFFFAOYSA-N 417.892 6.383 0 40 HKAB CCN(CC)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c(C)c1 408627580 LWVQDTIKAQOAPW-MDWZMJQESA-N 401.963 5.021 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)cc1 408695507 QZAMWLXCJASAQQ-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(F)cc2)cc1 408697036 DYGWWWOCKBLYFY-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB COc1ccc2c(Cl)c(C(=O)Nc3ccc(C)c(Cl)c3)sc2c1Cl 408969891 WMQWQWFXNWXVLZ-UHFFFAOYSA-N 400.714 6.431 0 40 HKAB CCOc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccccc2)cc1 409091410 UEBUDKQDPMVLKL-UHFFFAOYSA-N 417.534 5.504 0 40 HKAB COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccccc1F 409179515 RBMJOZXMXIJORU-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB CC(C)=CCC[C@@]12[C@@H](O)CC[C@@H](C)[C@]1(C)CC[C@@](C)(O)[C@H]2Cc1c[nH]c2ccccc12 1772591102 GFSPEIJDKJGERO-FSTPOKOHSA-N 423.641 6.401 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](C=Cc1ccccc1)C(=O)c1ccccc1 2049241053 SQYUSQQNCYCPRO-KMRPREKFSA-N 404.550 6.203 0 40 HKAB Cc1cccc(NC(=O)COc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)c1C 646664 NXILHBWZHJKBLZ-UHFFFAOYSA-N 422.912 5.535 0 40 HKAB CSc1cccc(NC(=O)c2cc(Br)ccc2Br)c1 683252 DOYMNPRHAYLETE-UHFFFAOYSA-N 401.123 5.186 0 40 HKAB CCn1c(CNc2ccc(OC)cc2)nnc1SCc1c(Cl)cccc1Cl 786940 ISVVYPAPQNGRAI-UHFFFAOYSA-N 423.369 5.518 0 40 HKAB Cn1c(CCc2nc3ccccc3[nH]2)nnc1SCc1ccc(C(C)(C)C)cc1 929959 BWKZPABRBHHNEF-UHFFFAOYSA-N 405.571 5.066 0 40 HKAB Cc1ccc(-c2csc3ncnc(Nc4ccc(N5CCOCC5)cc4)c23)cc1 951866 KYFJSKVURVSJGN-UHFFFAOYSA-N 402.523 5.247 0 40 HKAB COc1cc(/C=C/C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)ccc1OC(C)C 959384 UEYMRASNXFUYQS-UKTHLTGXSA-N 422.550 5.875 0 40 HKAB FC(F)(F)c1cc(-c2noc(-c3ccc4c(c3)CCO4)n2)cc(C(F)(F)F)c1 1030057 YUWMWLJOXCOZRV-UHFFFAOYSA-N 400.278 5.376 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 1102367 IUBBPYQQDQYKHZ-INIZCTEOSA-N 406.869 5.124 0 40 HKAB Clc1ccc2c(c1)/C(=C/c1ccc3c(c1)OCO3)c1cc(Cl)cc(Cl)c1-2 1723750 DEGJGKZVZHVANT-WCSRMQSCSA-N 401.676 6.945 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Oc1ccc(Br)cc1Br 1739637 OKJBPOQRCYLRKA-UHFFFAOYSA-N 405.473 5.476 0 40 HKAB Clc1ccc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1 2334660 HWXZGRDHCICWFF-UHFFFAOYSA-N 410.702 6.456 0 40 HKAB O=c1oc2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 2576847 HOMMNGWMFFKCMN-UHFFFAOYSA-N 401.676 7.087 0 40 HKAB Cc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1C 4069861 WYSYBSXIMMYZHJ-UHFFFAOYSA-N 400.503 6.472 0 40 HKAB O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)C1CCCCC1 4078266 IPQDKNVBZFFVDG-UHFFFAOYSA-N 412.378 5.112 0 40 HKAB Cc1ccccc1CSc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1 4328597 RIFYJHUSDODMJP-UHFFFAOYSA-N 409.458 5.410 0 40 HKAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 4548660 WNGYCKZHAWVQEW-MRXNPFEDSA-N 414.619 5.365 0 40 HKAB CCOc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)[C@H](C)[C@H]2CC)cc1 4562140 OQZNSCZZVINNGJ-OXTYCOSGSA-N 414.549 6.314 0 40 HKAB COc1ccc([C@@]23C[C@@H](C)Sc4ccccc4N2C(=O)[C@H]3Oc2ccccc2)cc1 4659008 ODFJXRMKCCRMBW-WQWSHVPRSA-N 417.530 5.269 0 40 HKAB CCC(=O)N(CC[C@@]1(c2ccccc2OC)CCO[C@@H](C(C)C)C1)Cc1ccco1 5397240 YZCSNBFIOQJCHS-ILBGXUMGSA-N 413.558 5.190 0 40 HKAB CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2Cl)CC1 6241921 JZIIYXKUESPWBX-UHFFFAOYSA-N 419.956 5.401 0 40 HKAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 6966517 AAEPKYXRAUSVQD-DEDYPNTBSA-N 408.910 5.676 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)cc1 7080047 VLYOEIVUOWMQNZ-IBGZPJMESA-N 416.521 5.778 0 40 HKAB CCOc1ccc(Nc2nnc(SCC(=O)c3c[nH]c4ccccc34)s2)cc1 8232227 HCBFCDIMEWEJFL-UHFFFAOYSA-N 410.524 5.137 0 40 HKAB COc1ccccc1-c1nnc(S[C@@H](C(=O)c2ccccc2)c2ccccc2)o1 8314184 BYFVRPQZQDYSRY-OAQYLSRUSA-N 402.475 5.462 0 40 HKAB COc1cccc(-c2nc(CSc3nnc(C4CC4)n3-c3ccccc3)cs2)c1 8965639 PEJAJLIQCAKWON-UHFFFAOYSA-N 420.563 5.569 0 40 HKAB CCc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(CC)ccc4o3)c2)cc1 9252433 WJIKFFZOLNXKNR-UHFFFAOYSA-N 404.897 6.525 0 40 HKAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc3c(c(-c4ccco4)c12)CCCCC3 9271734 YEJILQGTJOYWBA-UHFFFAOYSA-N 422.937 6.292 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccccc3Cl)oc3c(C)cccc3c2=O)cc1 9327765 SEDPQXKQBZZCPD-UHFFFAOYSA-N 419.864 5.683 0 40 HKAB COc1ccccc1C(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(C)cc1 9427304 YHRWNDITDJMWSB-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB COc1ccc(Cc2cnc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)s2)cc1 9461722 PQMUXUWOIFWGNV-JXMROGBWSA-N 418.440 5.413 0 40 HKAB O=C(CCCSc1nc2ccccc2[nH]1)N1CCC[C@@H]1c1nc2ccccc2s1 9635243 KRLUDMPJRJKQRB-GOSISDBHSA-N 422.579 5.409 0 40 HKAB CCCc1ccc(-c2ccc(-c3noc(-c4ccccc4Br)n3)cc2)cc1 9971614 BUCKYWWIABDBQX-UHFFFAOYSA-N 419.322 6.786 0 40 HKAB COc1ccc(OC)c2c1[C@@H]1CCCC[C@@H]1O[C@@H]2c1cccc(NC(=O)C2CC2)c1 12420165 CUDMNXSXYJGJGV-YDIMBITNSA-N 407.510 5.198 0 40 HKAB CCc1ccc([C@H](NC(=O)c2ccc(Br)o2)c2cccc(F)c2)cc1 12949089 FKGLMJQBBSETSX-IBGZPJMESA-N 402.263 5.263 0 40 HKAB CC(C)(C)c1ccc(CSc2nnc(COc3ccc(C(C)(C)C)cc3)n2N)cc1 12997200 WBXMVVABPKAVGT-UHFFFAOYSA-N 424.614 5.458 0 40 HKAB Cc1cc(OCC(=O)Nc2c(C(C)C)cccc2C(C)C)c(C(C)C)cc1Cl 13041841 IDAQTSLFWRAKLW-UHFFFAOYSA-N 401.978 7.036 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)CN[C@@H]4CCC[C@H](C)[C@H]4C)cc3)sc2c1 13522649 WVIZROQDRHVFIV-SQGPQFPESA-N 407.583 5.625 0 40 HKAB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1cccc(Cl)c1)c1cccs1 13557539 LPLSZGQSAVTCPV-UHFFFAOYSA-N 416.285 6.081 0 40 HKAB CCOc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccccc1 13926147 BVIYQRCLSKPPTK-BKUYFWCQSA-N 417.436 5.148 0 40 HKAB Cc1ccc(Cl)c(NC(=O)COC(=O)/C=C/c2cccc3cccnc23)c1Cl 14811268 LJWWRGXLWZPBLQ-CSKARUKUSA-N 415.276 5.045 0 40 HKAB O=C(Nc1nc2ccccc2s1)c1cc(Br)c(Br)s1 14825681 HMAOGCGXYNUOOH-UHFFFAOYSA-N 418.135 5.135 0 40 HKAB CC(C)=C[C@H]1Oc2cc(O)ccc2-c2oc3c4c(cc(O)c3c(=O)c21)OC(C)(C)C=C4 14951196 GDQXJMLXEYSICD-LJQANCHMSA-N 418.445 5.455 0 40 HKAB endogenous,in-man COc1cc(Cl)c(C)cc1NC(=O)CN[C@@H](c1ccc(F)cc1)c1cccs1 15358757 WJXNMEKKVWOKML-NRFANRHFSA-N 418.921 5.175 0 40 HKAB O=C(C[C@@H](Sc1cccc(Cl)c1Cl)c1ccc(Cl)cc1)c1ccccc1 16476531 VRTJZZDOIVASRO-HXUWFJFHSA-N 421.776 7.753 0 40 HKAB Cc1ccc(C)c2sc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)nc12 17090982 UXRZQCVNXROKSP-UHFFFAOYSA-N 417.317 6.732 0 40 HKAB CC(C)c1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 17205964 FLAASIJSPZZBAW-UHFFFAOYSA-N 400.548 5.067 0 40 HKAB CCCCCCC1N(Cc2ccccc2OC)CCCN1Cc1ccccc1OC 19326398 KAYXJUWFXQOCDP-UHFFFAOYSA-N 410.602 5.708 0 40 HKAB Cc1cc(C)c(NC(=O)c2cc(-c3ccccc3Cl)no2)c(-c2cc(C)n[nH]2)c1 19660869 GXBGMHQRTUJUGW-UHFFFAOYSA-N 406.873 5.563 0 40 HKAB CCOc1ccc(CCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OCC 20105885 LIMVKNVGMSFIAS-UHFFFAOYSA-N 415.839 5.728 0 40 HKAB CC(C)OC(=O)c1ccc2nc(NC(=O)CSc3ccc(Cl)cc3)sc2c1 20411801 UHXVKGVDGWKOJZ-UHFFFAOYSA-N 420.943 5.246 0 40 HKAB COc1ccc(-n2nc(Nc3ccccc3)c3c2C[C@H](c2ccccc2)CC3=O)cc1 20796749 DCBTZQRWHRYZCG-IBGZPJMESA-N 409.489 5.537 0 40 HKAB Cc1c(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cnn1-c1ccc(Cl)cc1 25434169 DHQJLRPTKMGUNG-UHFFFAOYSA-N 412.223 5.341 0 40 HKAB COc1ccccc1CCNC(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 29459274 YKLOJWJACIBYKY-UHFFFAOYSA-N 416.452 5.129 0 40 HKAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCC[C@H]1c1nc2ccccc2s1 31393132 PYQGKGRKFUNUMC-SFHVURJKSA-N 421.497 5.387 0 40 HKAB CSc1nsc(SCc2ccc(C(=O)Nc3c(C)cccc3C)cc2)n1 32117642 UCEDNFQUDATMBE-UHFFFAOYSA-N 401.582 5.421 0 40 HKAB CCCCOc1ccc(NC(=O)c2oc3cc(C)c(Cl)cc3c2C)c2cccnc12 32622548 YYPXFSIWNATFIS-UHFFFAOYSA-N 422.912 6.682 0 40 HKAB O=C(Nc1nnc(SCc2ccccc2)s1)[C@@H]1CCC[C@H](C(F)(F)F)C1 40140432 BCVOWEPXYUZUIC-OLZOCXBDSA-N 401.479 5.138 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Br)c(Cl)c1 44904503 LBEZGACRVIEBMH-GOSISDBHSA-N 418.718 6.052 0 40 HKAB Cc1sc2nc(-c3cccs3)nc(N3CCC(N(C)C(C)C)CC3)c2c1C 48261558 OXRXHRXUFBZMCK-UHFFFAOYSA-N 400.617 5.346 0 40 HKAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 71806461 ZOEMAMQOKPGMNP-UHFFFAOYSA-N 420.490 5.103 0 40 HKAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 71844301 XHZNPRUTDUDLFB-SIKLNZKXSA-N 424.491 5.737 0 40 HKAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2ncccc2C)C12CCCCC2 79484932 LUUWKJOCYUWIIP-OAQYLSRUSA-N 405.542 5.071 0 40 HKAB O=C(OCc1ccccc1)N(Cc1cc(C(F)(F)F)ccc1C(F)(F)F)C1CC1 91252368 RSNZPRIVIPCVCI-UHFFFAOYSA-N 417.349 6.025 0 40 HKAB C(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)[C@@H]1CCC[C@H]1N2c1ccccc1 91296958 KHSAHMCGJDNDEG-BHBYDHKZSA-N 413.564 8.063 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2C2(C)OCCO2)C1 118924291 IXDXUHKVPQMDIH-XBUBOJNLSA-N 404.591 5.340 0 40 HKAB C[C@@H](CCC(=O)C[S@](C)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118925119 CIYRXHNULHWANP-XUKCVZHUSA-N 420.703 6.399 0 40 HKAB Cn1nc([C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1C(F)(F)F 118926208 OFZZRUVLPSTSGV-BOPJXXHASA-N 422.535 5.846 0 40 HKAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)cc2)S1 222605276 IRJGNJVUWPYAHQ-USCONSEESA-N 403.576 5.822 0 40 HKAB COc1ccc(CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C 222651313 WCSTVFLBXGSJON-UHFFFAOYSA-N 407.897 5.459 0 40 HKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223106905 RJCCLYCDGAGBDI-BJKOFHAPSA-N 416.594 5.486 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)ccc1Cl 223155760 BLEOPSNOOYQWEH-ZDUSSCGKSA-N 419.959 5.198 0 40 HKAB COc1ccc(CSCC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1 223270714 WVGUSGSFGNYRJZ-QGZVFWFLSA-N 401.572 5.246 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccccc1C(C)(C)C 224168977 CSQHWFQQQIOJSF-UHFFFAOYSA-N 423.940 6.477 0 40 HKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)cc1 224242541 GNZLFXBXKAYUIB-JWQCQUIFSA-N 424.573 5.666 0 40 HKAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1cc(C)cc(C)c1C 224282899 APFWRQFYJOWJIW-UHFFFAOYSA-N 417.549 6.377 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)c1 224297401 DLHQNYYSWCPYJZ-DNQXCXABSA-N 418.610 5.875 0 40 HKAB Cc1ccc([C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 225379907 DBYLPQKEQHZSMV-CEZZIEKDSA-N 404.535 5.013 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NCCCSC2CCCCC2)cc1Cl 225591575 IGWDUXQUDBOVPK-UHFFFAOYSA-N 415.024 5.259 0 40 HKAB Cc1cc(-c2ccc(C(=O)Nc3c(C)cc(N)cc3Cl)o2)ccc1Br 226756297 AULQQACAFGHLIK-UHFFFAOYSA-N 419.706 5.814 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2cccc(C)c2C)cc1 408699952 XRISDCLPCOELSY-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)c(OC)c(Cl)c3)S2)cc1 408767054 IDNLBETVHLIMMG-LZOLKVDOSA-N 409.338 5.164 0 40 HKAB O=C(CSc1cccc2ccccc12)Nc1ccc(Br)c(Cl)c1 409178488 KESIADZAHHTWCD-UHFFFAOYSA-N 406.732 5.987 0 40 HKAB Cc1ccccc1Cc1cccc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 1848355042 BMJMUSRIQAOZBC-UHFFFAOYSA-N 423.560 5.411 0 40 HKAB C[C@@H](C(=O)Nc1ccccc1Br)c1cccc(C(=O)c2ccccc2)c1 682505 OYUZAXNDQVFHAF-OAHLLOKOSA-N 408.295 5.422 0 40 HKAB CCOC(=O)c1c(C)n(CCOc2ccc(-c3ccccc3)cc2)c2ccc(O)cc12 706428 CDJUGDDWFFWNEO-UHFFFAOYSA-N 415.489 5.578 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)Nc3ccccc3)cc2c1 933923 MKKXNXMOSHWZMG-UHFFFAOYSA-N 413.546 5.236 0 40 HKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2F)cc1 1380186 LGUQQBHXTKSEIT-QHCPKHFHSA-N 420.484 5.174 0 40 HKAB CCCCc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 1794303 CRDXDQHSVQYHMR-UHFFFAOYSA-N 403.309 6.552 0 40 HKAB CC(C)c1ccc(Nc2nc(Cl)nc(Nc3ccc(C(F)(F)F)cc3)n2)cc1 2143732 RHHQOZDVEHBNKT-UHFFFAOYSA-N 407.827 6.154 0 40 HKAB CCCCCCOC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc12 2207661 NVCIQJQYZLFVNL-UHFFFAOYSA-N 416.525 5.261 0 40 HKAB CC[C@H](C)COC(=O)c1c(N)n(-c2ccc(C)c(Cl)c2)c2nc3ccccc3nc12 2263965 RBNLEWCIJCMUSM-ZDUSSCGKSA-N 422.916 5.321 0 40 HKAB C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(-c2ccccc2)cc1 2285928 HFJSJLBABIZLTL-ZBLYBZFDSA-N 418.540 6.946 0 40 HKAB Cc1ccc(C(=O)Nc2c(-c3ccccc3Cl)c(=O)c3ccccc3n2C)cc1 2357451 YRIMIHSJFURWQA-UHFFFAOYSA-N 402.881 5.420 0 40 HKAB CCOC(=O)c1ccc(NC(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 2452635 VAFMZBLFNLOEIU-UHFFFAOYSA-N 423.538 5.928 0 40 HKAB COc1ccc(-c2nn(-c3ccccc3)cc2CNC(=S)Nc2ccccc2)cc1 2647752 PMSLIFPXHCAPGL-UHFFFAOYSA-N 414.534 5.035 0 40 HKAB Cc1cccc(C(=O)NC[C@@]2(C)C[C@@H](NC(=O)c3cccc(C)c3)CC(C)(C)C2)c1 2749057 QQTIKOPEHWBRTM-NVQXNPDNSA-N 406.570 5.048 0 40 HKAB Cc1ccc2c(Cl)c(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)sc2c1 2753504 SRBOARRECWXJTF-UHFFFAOYSA-N 402.906 7.247 0 40 HKAB CCCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@H](CC)C2 2761760 PKXWORSFSWWRFG-ZDUSSCGKSA-N 405.947 5.736 0 40 HKAB Cc1ccc(-c2ccc(OC(=O)c3cc(-c4ccccc4)nc4ccccc34)cc2)cc1 2762313 QEUNIZFAGWBIFK-UHFFFAOYSA-N 415.492 7.096 0 40 HKAB c1ccc(CSc2nnc([C@H]3COc4ccccc4O3)n2-c2ccccc2)cc1 3229376 MOOHBGPHFMCXLP-OAQYLSRUSA-N 401.491 5.072 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cc2c(s1)CC[C@H](C)C2 3381117 KFJHDCHTZLTGEG-INIZCTEOSA-N 413.583 5.915 0 40 HKAB COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1ccc(-c2ccccc2F)o1 3626412 NVINIJKVBJYQJF-XMMPIXPASA-N 414.436 5.865 0 40 HKAB C[C@@H](CCc1cn(Cc2ccccc2)c2ccccc12)NC(=O)c1ccc(F)cc1 3765579 BCTKCXLUQOSOMO-IBGZPJMESA-N 400.497 5.580 0 40 HKAB Cc1oc2c(C)c3oc(=O)c(CC(=O)NC(C)C)c(C)c3cc2c1-c1ccccc1 4089513 IQWIGNVOJMOHHQ-UHFFFAOYSA-N 403.478 5.199 0 40 HKAB biogenic Cc1ccc([C@]23C[C@@H](C)Sc4ccccc4N2C(=O)[C@@H]3Oc2ccccc2)cc1 4659006 CLEPDLDNNVKAJL-DPQOWFAMSA-N 401.531 5.569 0 40 HKAB CCOc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)[C@@H](C)[C@@H]2CC)cc1 4733116 OQZNSCZZVINNGJ-YLORPAJWSA-N 414.549 6.314 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nncn2-c2ccccc2)c2ccccc2)c1 4835143 BWRFZPWBLRMULI-QFIPXVFZSA-N 414.534 5.356 0 40 HKAB COc1ccc(-c2c(NC(=O)Cc3ccccc3)sc3ccccc3c2=O)cc1 5203380 AEHOMMBWNGJSED-UHFFFAOYSA-N 401.487 5.118 0 40 HKAB CSc1ccccc1-c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 5362260 ZMNYLYMZXNJNCF-UHFFFAOYSA-N 404.335 6.163 0 40 HKAB Nc1c(C(=O)NC2CC2)sc2nc3c(c(-c4ccco4)c12)CC/C3=C\c1ccco1 6257719 OMFVEJYIXKBOKQ-VAWYXSNFSA-N 417.490 5.111 0 40 HKAB COCCn1c(C)cc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)c1C 6333308 FUXNCPDBBQKCFO-UHFFFAOYSA-N 421.324 5.176 0 40 HKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)Cc1c(Cl)cccc1Cl 6469132 FNGJGPPNHDHUKP-SUNYJGFJSA-N 401.330 5.083 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc2c(c1)OCCO2 6495558 WOXUXUBBOSLHTF-UHFFFAOYSA-N 407.278 5.140 0 40 HKAB CCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCC)cc1 6752989 OUCXVQLXPDBSAK-XMMPIXPASA-N 419.525 5.307 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)COc1ccccc1Cl 6825985 CAYURPZNNLOSOX-UHFFFAOYSA-N 408.910 5.943 0 40 HKAB O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1nc2ccccc2s1 7313927 HUKWSSSBYMSHSV-UHFFFAOYSA-N 409.923 5.436 0 40 HKAB CC(=O)c1ccc(N(C(=O)COc2ccccc2C)c2nc3ccccc3s2)cc1 7593670 OIRNBJWTRPFPKD-UHFFFAOYSA-N 416.502 5.551 0 40 HKAB O=C(Nc1c(F)cccc1F)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 7604402 MCXOASUIHIHCNZ-UHFFFAOYSA-N 410.807 5.359 0 40 HKAB CC[C@H](Oc1ccccc1F)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 8041410 AHEUKMZJCDKXKD-KRWDZBQOSA-N 416.345 5.340 0 40 HKAB CC(=O)c1ccc(-c2ccc(C(=O)N3CCC(c4nc5ccccc5o4)CC3)o2)cc1 8231312 TXKKWWCDQPEUND-UHFFFAOYSA-N 414.461 5.310 0 40 HKAB CCCc1ccc(-c2nc(NC(=O)[C@H]3CC(=O)Nc4ccccc43)sc2C)cc1 9051081 YKKBELIVMVSFIW-SFHVURJKSA-N 405.523 5.136 0 40 HKAB C[C@H](CNC(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2n1C(F)F 9202510 TVLKDKAWCGBQPU-QGZVFWFLSA-N 419.475 5.483 0 40 HKAB Cc1ccc(-c2nc(COC(=O)c3ncc(Cl)c(Cl)c3Cl)cs2)cc1 9253989 KKMRNNYCNHJQME-UHFFFAOYSA-N 413.713 5.831 0 40 HKAB CC(C)CSc1nc2ccc(NC(=O)c3cccc(Br)c3)cc2s1 9459474 YAHPQZKEFFPSMA-UHFFFAOYSA-N 421.385 6.059 0 40 HKAB CSc1ccccc1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 9703721 MBOXXFGLZMLEIT-UHFFFAOYSA-N 418.474 5.012 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C(C)C)c2C)cc1 10314684 CJZAFHJOQIEOMG-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(Cl)cc2)OC3=O)cc1C 11689834 WMGRTKLFMHNQKG-QFIPXVFZSA-N 405.881 5.663 0 40 HKAB O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1cccc(Cl)c1Cl 12177708 TXTBSPMQEGGTDO-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCCN1C(=O)c1cccs1 12854321 XBWJKXNBKIWGIS-CQSZACIVSA-N 416.852 5.054 0 40 HKAB CN(c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 13101840 CWMTYDYJUVVWGD-UHFFFAOYSA-N 422.333 5.398 0 40 HKAB Cc1cccc(-c2nn(Cc3ccc(F)cc3Cl)c(-c3cccc(C)c3)c2C)c1 17083080 RCSGPBOGWYTAJW-UHFFFAOYSA-N 404.916 6.983 0 40 HKAB Cc1nc(-c2cccs2)c(CCC(=O)Nc2ccccc2Br)s1 19819587 BITNXWISLDHHLH-UHFFFAOYSA-N 407.358 5.514 0 40 HKAB Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc2ccccc2n2c(C)nnc12 21658173 XSOMWQCLTGSKDJ-UHFFFAOYSA-N 421.913 5.495 0 40 HKAB COc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 27744344 HJLFWRBJJHBKPX-FQEVSTJZSA-N 404.897 5.392 0 40 HKAB COc1cc(C(=O)N(Cc2cccs2)c2ccccc2Cl)cc(OC)c1OC 28288067 HEGFCSISQACIEY-UHFFFAOYSA-N 417.914 5.274 0 40 HKAB CN(Cc1ccsc1)C(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1 32747593 UTRFAQQXDWRDSQ-HSZRJFAPSA-N 406.576 5.517 0 40 HKAB Cc1nn2c(nnc3c(=O)n([C@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40395991 JDADACFPPUPSLB-DEYYWGMASA-N 421.932 5.065 0 40 HKAB Cc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)cc1C 41076862 POHLTFLZCHSDET-UHFFFAOYSA-N 420.509 5.538 0 40 HKAB O=C(Nc1ccc2[nH]c3ccccc3c2c1)N1c2ccccc2Sc2ccccc21 44781871 KXHPPLQSISOHAS-UHFFFAOYSA-N 407.498 7.156 0 40 HKAB O=C(CC1CCCCC1)Nc1ccc(Cn2cnc(C(=O)Nc3ccccc3)c2)cc1 49422244 LBKNTYBPGRLMFU-UHFFFAOYSA-N 416.525 5.093 0 40 HKAB Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(Cc3ccc(Cl)cc3)n2)C1 72349868 IVLBHTWVBWKXLD-KRWDZBQOSA-N 411.958 5.111 0 40 HKAB Cc1ccc([C@H]2[C@@H](C)CCCN2C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)cc1 89632133 YQYRVZFUJAFNQX-WMZHIEFXSA-N 407.558 5.386 0 40 HKAB Cn1cc(-c2cnc(Nc3ccccc3)nc2)cc1C(=O)Nc1cccc(Cl)c1 96037591 QRIOCYPXNPJXLB-UHFFFAOYSA-N 403.873 5.131 0 40 HKAB CCc1noc(-c2ccc(NC(=O)c3cc(-c4ccc5c(c4)CCCC5)on3)cc2)n1 96346514 JDQCGILVTVQVHE-UHFFFAOYSA-N 414.465 5.085 0 40 HKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 216451683 LONKNIHBHGSXKK-QHCPKHFHSA-N 416.521 5.030 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1nc(-c2ccccc2Cl)no1 219342525 MSVACBHHACNAGX-LJQANCHMSA-N 421.884 5.017 0 40 HKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C)c(C)c3)N21 222709795 XEXKKSRWECLJEF-OFAXGOBFSA-N 402.567 5.469 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)NCCOc1cccc2ccccc12 223510593 CHIAUUDKIIYVHG-UHFFFAOYSA-N 420.361 5.575 0 40 HKAB COc1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)cc1 224349771 FQCBADCTICFFRJ-UHFFFAOYSA-N 413.926 5.902 0 40 HKAB CCC[C@H](C)NC(=O)c1ccc(OCC)c(COc2ccc(-c3ccccc3)cc2)c1 224559384 FFDNSOPAYWIXHB-FQEVSTJZSA-N 417.549 6.250 0 40 HKAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)NCc1ccccc1Cl 224883568 MBSALXTXYKJNAF-UHFFFAOYSA-N 419.706 5.007 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(I)c1 225020504 CASXQGIRKBAQPE-UHFFFAOYSA-N 406.050 5.159 0 40 HKAB CCCOc1ccccc1CCCNC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 225034693 QLQZGANGKMNDKX-DEOSSOPVSA-N 409.570 5.261 0 40 HKAB COc1ccc(CCNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225315258 DAEBKGJQBBFYFO-UHFFFAOYSA-N 408.592 5.517 0 40 HKAB C[C@H]1CCCCN1CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1 225504362 DJCNXHUTQDZCDN-QFIPXVFZSA-N 420.597 5.780 0 40 HKAB O=C1CC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)Oc2c1ccc1ccccc21 225825128 UBNRTJSYCIPLKX-UHFFFAOYSA-N 420.896 5.525 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(Cl)cc1)[C@H]2O 245391860 FDGCFEWJEHAVJT-ISAMVGCQSA-N 413.001 6.018 0 40 HKAB COC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc(Br)cc1)N2 247841754 OIBDONHXDQCDTE-FGAFXAAGSA-N 412.327 5.532 0 40 HKAB O=C1CS[C@H](c2ccccc2OCc2ccc(F)cc2)N1c1ccc(Cl)cc1 408558366 UCOQSIBUUVQCHJ-JOCHJYFZSA-N 413.901 5.837 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nn2-c2ccccc2)c1 408699257 SMBRSBWWJILTDQ-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3Cl)nn2-c2ccccc2)cc1 408725971 REIBJUMIJMQDSK-UHFFFAOYSA-N 422.315 6.407 0 40 HKAB O=C1N/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1c1cccc(Cl)c1 409105624 NPDIBBUKZBCLNI-UDWIEESQSA-N 422.843 5.155 0 40 HKAB CCCN1C(=O)N/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)C1=O 409233218 DMWITYILLWXGDP-HZHRSRAPSA-N 409.489 5.146 0 40 HKAB CCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(COc2cccc(Cl)c2)n1 585264981 DDQAPCZPOHOWKZ-UHFFFAOYSA-N 418.276 5.731 0 40 HKAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 2037846031 LWAIXXOTOAGBEE-NRFANRHFSA-N 423.875 5.517 0 40 HKAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1cccc(C(F)(F)F)c1)OCO3 929877 PQJOTLYNSFFGOJ-UHFFFAOYSA-N 420.412 5.022 0 40 HKAB O=C(Nc1ccccc1Cl)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363861 CKMBQQKHWJKUQT-CQSZACIVSA-N 417.296 5.455 0 40 HKAB Oc1ccccc1-c1nc(Oc2ccc(OCc3ccccc3)cc2)c2ccccc2n1 1878574 WMYZXOVDFXHJNS-UHFFFAOYSA-N 420.468 6.374 0 40 HKAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1Cl 2377103 VZWKUMKUWQWBNE-BVZFJXPGSA-N 402.258 5.079 0 40 HKAB CCOC(=O)[C@H](C)Sc1cc(CSc2ccccc2)nc(-c2ccccc2)n1 3104490 GYXKBAPQLSOWJR-INIZCTEOSA-N 410.564 5.480 0 40 HKAB O=C(Nc1ncc(Cc2cccc3ccccc23)s1)c1cccc(Br)c1 3170844 NUVMEKAMVQCANS-UHFFFAOYSA-N 423.335 5.902 0 40 HKAB Cc1ccc([C@@H]2CC(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)=NO2)cc1 4135540 NBABFWAIZVHWIL-QFIPXVFZSA-N 414.892 6.023 0 40 HKAB COc1ccc(COc2ccc3oc(=O)c(-c4ccc(OC)cc4)c(C)c3c2)cc1 4340625 XHZDKJVUOJVTNY-UHFFFAOYSA-N 402.446 5.365 0 40 HKAB biogenic Cc1ccccc1C(=O)NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1 4590905 VBLDANGDVYGXRF-UHFFFAOYSA-N 403.532 5.399 0 40 HKAB CCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(CC)ccc4o3)c2)cc1 4703931 GGPGIIZCLSWNBA-UHFFFAOYSA-N 400.478 6.098 0 40 HKAB O=c1oc2ccc(Br)cc2cc1-c1nc(-c2ccc(F)cc2)cs1 5175292 WUXKFWKVLZWJEA-UHFFFAOYSA-N 402.244 5.485 0 40 HKAB COc1ccc2c(CC(=O)Nc3cc(C(F)(F)F)ccc3N3CCCC3)coc2c1 5244233 SOBJKHNQKRYZLN-UHFFFAOYSA-N 418.415 5.242 0 40 HKAB COc1ccc(/C=C(/CC(=O)Nc2ccc(C)cc2)c2nc3ccccc3s2)cc1 6078890 FRLGXXJNQLBDEC-CYVLTUHYSA-N 414.530 6.183 0 40 HKAB [O-][n+]1c(-c2ccccc2)c(-c2ccccc2)n(O)c1-c1ccccc1Br 6344714 MXDDMFBQCXDHET-UHFFFAOYSA-N 407.267 5.122 0 40 HKAB COc1ccccc1OCCCn1cc(C(=O)COc2ccccc2)c2ccccc21 6625286 GUURDPOMUILJGW-UHFFFAOYSA-N 415.489 5.381 0 40 HKAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 7158476 FWYKFQIPAKSNKL-BALBBAFXSA-N 423.984 6.522 0 40 HKAB CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1 8129798 CDZQXWYZYWQKGF-UHFFFAOYSA-N 402.450 5.113 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCCC(C)C)ncnc32)cc1Cl 8412983 SADHFAAANXOCLJ-UHFFFAOYSA-N 404.945 6.507 0 40 HKAB O=C1C[C@H](Nc2cccc(Cl)c2Cl)C(=O)N1c1cccc(Cl)c1Cl 8433949 XDDZUAUBLCQSEK-NSHDSACASA-N 404.080 5.044 0 40 HKAB C[C@@]12CC3CC(NCc4ccc(OCc5ccc(Cl)cc5)cc4)(C1)C[C@](C)(C3)C2 8534527 DLBDCRVUEQONFA-MVJOHORYSA-N 410.001 6.758 0 40 HKAB O=C(COc1ccc(F)cc1)Nc1ccc2nc(SCc3ccccc3)sc2c1 8673808 AZBOCAHQSCDQFB-UHFFFAOYSA-N 424.522 5.745 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1nc(SCc2ccccc2)ncc1Cl 9418919 HHPFCHDVDNRTBS-UHFFFAOYSA-N 423.847 5.693 0 40 HKAB O=C1C[C@H](c2ccc(Cl)c(Cl)c2)c2sc(C(=O)O)c(-c3ccccc3)c2N1 12376927 BXFWBHVRGQEMBT-GFCCVEGCSA-N 418.301 5.894 0 40 HKAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C(c1ccccc1)c1ccccc1 12971070 YSUYXDLSKVEKAU-UHFFFAOYSA-N 403.485 6.001 0 40 HKAB Cc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(F)c(F)c2)cc1 13069230 HKKKOZZNRJNEGQ-UHFFFAOYSA-N 409.841 5.520 0 40 HKAB Cc1ccccc1NC(=O)COc1cc2ccccc2cc1C(=O)NCc1ccccc1 13134837 YHPSERRKUAZTDX-UHFFFAOYSA-N 424.500 5.096 0 40 HKAB CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1 13207091 YPKKHNJWQAOVJN-QHCPKHFHSA-N 410.473 5.057 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cnc(Cl)c(Cl)c1 14071174 ZUABILIOHAPQKM-UHFFFAOYSA-N 404.219 5.260 0 40 HKAB C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccccc1Oc1ccccc1)c1ccc(F)cc1 14092795 MCMXMZXVJYGWQY-DLBZAZTESA-N 407.441 5.041 0 40 HKAB CC[C@H](C)c1ccc(-c2nc3c(Br)c(N)c(Br)cc3o2)cc1 16610573 LOVYHULWBFGPDB-VIFPVBQESA-N 424.136 6.116 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3cccnc3Cl)cc2)cc1 17087806 SYRLHUFCXIGIQN-UHFFFAOYSA-N 407.901 5.537 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)c1 17093068 CCAVAXVVZXDFOX-UHFFFAOYSA-N 422.484 6.689 0 40 HKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CN[C@@H](C)c1ccc(F)cc1 17312225 WOUKEILCSRFFKH-ZDUSSCGKSA-N 406.332 5.845 0 40 HKAB Cc1ccc(NC(=O)c2cc(-n3nc(C)cc3C)ccc2Cl)c(-c2cc(C)n[nH]2)c1 19718332 JCWUTLHLUPKRFZ-UHFFFAOYSA-N 419.916 5.402 0 40 HKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(OCCSc2ccccc2)cc1 20042627 GVTQXDDATBIJDN-UHFFFAOYSA-N 407.579 5.556 0 40 HKAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl 20104393 CXXWWIGWNFNCHF-LBPRGKRZSA-N 418.773 5.464 0 40 HKAB CC1CCN(Cc2ccc(C(=O)NCCSCc3ccc(Cl)cc3)cc2)CC1 20455107 GIOYVXVWMJSMEY-UHFFFAOYSA-N 417.018 5.235 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3C(=O)c3ccccc3)no2)cc1F 20898226 DGADESCDTUVORC-UHFFFAOYSA-N 400.409 5.272 0 40 HKAB O=C(CCSc1ccc(Cl)cc1)N1CCC(c2nc3ccccc3s2)CC1 21000450 QRNMNSVMRJJTKV-UHFFFAOYSA-N 416.999 5.838 0 40 HKAB CCOc1cc(/C=C/C(=O)N2CCC[C@H]2c2ccc(OC)cc2)ccc1OC(F)F 21705585 FHZCPNMZBZXGCS-KRSRXSRCSA-N 417.452 5.072 0 40 HKAB CCCOc1ccccc1[C@@H]1CC(=O)Nc2c1cc(Br)c1ccccc21 21776863 MWDTXPDOUGFPLW-KRWDZBQOSA-N 410.311 5.865 0 40 HKAB O=C(CSCc1csc(-c2ccccc2)n1)Nc1ccc(Br)cc1 23885929 YFIQTQNKGHJRFG-UHFFFAOYSA-N 419.369 5.445 0 40 HKAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccc(OC(C)C)c1 26124464 KMTGVLRADQRQHX-UHFFFAOYSA-N 420.900 5.422 0 40 HKAB CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)c1cccc(C)c1 28284347 FZHGEGJMXNYPCA-UHFFFAOYSA-N 409.507 5.551 0 40 HKAB Cc1sc2nc(SC[C@@H](O)c3ccccc3F)n(C3CCCC3)c(=O)c2c1C 31444119 FMZICJVTUUIMOR-QGZVFWFLSA-N 418.559 5.155 0 40 HKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc(Cl)c3)sc2c1 32119149 FTEMFLALNCVWOX-UHFFFAOYSA-N 403.960 5.419 0 40 HKAB O=C(COc1ccc(F)cc1)Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 32623589 JOJJUQKXWZPRGE-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB O=C(/C=C/c1cccc(C(F)(F)F)c1)OCc1nc(-c2cccc(Cl)c2)no1 32741543 RYKNWRDKIHITBU-BQYQJAHWSA-N 408.763 5.165 0 40 HKAB Cc1nc(Sc2nnc(-c3ccco3)n2C)c2c(-c3cccs3)csc2n1 32857532 JSDJMHIDLDJMKW-UHFFFAOYSA-N 411.537 5.268 0 40 HKAB O=C(COc1ccccc1F)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 33723141 FJPHBQRGPJCXIG-OLGBWWKPSA-N 420.440 5.214 0 40 HKAB Clc1cccc(Cl)c1CSc1nnc(-c2ccc(Br)cc2)o1 35142509 AJDBUKQQNMPULD-UHFFFAOYSA-N 416.127 6.098 0 40 HKAB CCCCN(C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1)c1ccccc1 40140579 FERICQRIZRXMRL-UHFFFAOYSA-N 407.535 5.107 0 40 HKAB O=C1c2c(oc3ccccc3c2=O)[C@H](c2ccc(Cl)cc2)N1CCc1ccccc1 41104999 TZEUPGXGZPWTCY-QFIPXVFZSA-N 415.876 5.234 0 40 HKAB O=C(Nc1nn2c(C3CCCCC3)nnc2s1)C(c1ccccc1)c1ccccc1 41108823 HJRVFXCNDHNFRH-UHFFFAOYSA-N 417.538 5.004 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc(Cl)s1 57380615 WLWSBLNPRXTDIG-OAQYLSRUSA-N 414.958 5.612 0 40 HKAB CC(C)[C@@H](c1nnnn1C1CCCC1)N(Cc1ccccc1)Cc1ccc(F)cc1 57614126 MKNUGYBVTLZPMX-QHCPKHFHSA-N 407.537 5.327 0 40 HKAB CCOc1ccc(NCc2ccc(OCc3ccccc3Cl)c(OCC)c2)cc1 59056169 FWTLFOPDQPTGQP-UHFFFAOYSA-N 411.929 6.329 0 40 HKAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(N(C)C)cc2)cc1 67259061 URADGZSIINWWNF-UHFFFAOYSA-N 413.546 5.387 0 40 HKAB c1ccc(CN2CC[C@@H](c3ccccc3)[C@H](COc3ccc4c(c3)OCO4)C2)cc1 67665274 UMGXHHAKAJMOIQ-UPVQGACJSA-N 401.506 5.100 0 40 HKAB in-vitro O=C(CCc1ccccc1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 72349042 YDMHTQROWDIUFR-QFIPXVFZSA-N 402.513 5.150 0 40 HKAB ClC1=C(Cl)[C@@]2(Cl)[C@]3(Cl)C[C@](Cl)(C(Cl)=C3Cl)[C@]2(Cl)C1 104326958 IQSMWCVXFYYACT-AXTSPUMRSA-N 407.766 6.096 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N(CC)Cc1nc(-c2cccs2)no1 219344568 ZIMNJKFWUGUPOX-SFHVURJKSA-N 421.522 5.157 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccc(C)cc1 223384179 MSBAIOSSQXJJBT-NRPPHEFGSA-N 418.562 5.403 0 40 HKAB C[C@H]1CCCN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCC3)cn2)C1 223973742 GFGYQDAJFCPEDR-IBGZPJMESA-N 408.615 5.116 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1 224198547 VXEZKNSLHFFMIX-GOTSBHOMSA-N 414.534 5.010 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1C 224264836 ZZTFTMFPSOJWJT-ZEQRLZLVSA-N 418.610 5.875 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1ccccc1Cl 224479229 AKXMMPJNEATHNA-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1 224531853 TWRDKJPHQYOROW-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1cc(C)cc(C)c1 224539169 WBVXTPVAXSFLIL-UHFFFAOYSA-N 407.485 5.350 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c(Br)c1 224919363 XCIYILHAPCSRCV-UHFFFAOYSA-N 417.347 5.190 0 40 HKAB CCCC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225290610 LFCHLDWJZKMKNM-VWLOTQADSA-N 420.597 5.184 0 40 HKAB S=C(NCCSCc1ccccc1Cl)Nc1cccc(Br)c1 225295527 YVFOYCVUXZCSRC-UHFFFAOYSA-N 415.809 5.322 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=O)CCc1ccc(Cl)c(Cl)c1)CC(C)(C)O2 225337281 DANBRGIGTCGBTO-GOSISDBHSA-N 408.325 5.353 0 40 HKAB C[C@@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)C1 225515839 NKQXENRTFRVPCN-HXUWFJFHSA-N 424.560 5.387 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225831640 VUHCVIJOXMEWIH-UHFFFAOYSA-N 417.896 5.937 0 40 HKAB COc1ccc(C2(NC(=S)Nc3ccc(Br)cc3)CCCC2)cc1 225846146 CVSAFCUZWOEMCY-UHFFFAOYSA-N 405.361 5.214 0 40 HKAB COc1ccc(Br)cc1C(=O)Nc1ccc(Br)c(Cl)c1 312420254 SCQWMEAQXJREIY-UHFFFAOYSA-N 419.500 5.126 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)c1 408698808 PSAHCXZMHXATFS-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2ccccc2)c1C 408699843 WNHQMZDVSNLDQU-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB Cc1ccc(-n2nc(C(=O)NC3CCCCC3)cc2-c2ccc3ccccc3c2)cc1 408727404 WLOICKNHAZYNPX-UHFFFAOYSA-N 409.533 6.063 0 40 HKAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1cccc(C)c1 408817016 KMAHDHRYYIUUSA-WQRHYEAKSA-N 417.914 5.292 0 40 HKAB Clc1ccc(-n2c(Cc3ccccc3)nnc2SCCCc2ccccc2)cc1 409084254 ATQZSXBOQGAIFE-UHFFFAOYSA-N 419.981 6.236 0 40 HKAB COc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc(-c3ccccc3)cc2)c(O)c1 606422293 HDXHITKLRVCEHN-UHFFFAOYSA-N 410.395 6.144 0 40 HKAB CCN(C(=O)c1ccc(Br)cc1)c1nc(-c2ccc(C)cc2)cs1 932661 IXWBFQYXKRWZPC-UHFFFAOYSA-N 401.329 5.548 0 40 HKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cccnc1Cl 1001912 RUXNRYBGCKLRAS-UHFFFAOYSA-N 421.305 5.546 0 40 HKAB Cc1cccc(C)c1NC(=O)CSCC(=O)n1c2c(c3ccccc31)CCCC2 1093850 BEAJEONSCRBXFP-UHFFFAOYSA-N 406.551 5.149 0 40 HKAB COc1ccc([C@@H]2SCCN2C(=O)c2c(-c3ccccc3Cl)noc2C)cc1 1102292 KUBZOHHIRTYTHH-NRFANRHFSA-N 414.914 5.200 0 40 HKAB Cc1ccc(C(=O)N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccco2)cc1 1243702 KKVGFSRXDAFRLM-IBGZPJMESA-N 409.283 5.342 0 40 HKAB CCCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2 2275644 SYIQPBQZAQPGBY-UHFFFAOYSA-N 416.590 5.829 0 40 HKAB Clc1ccc(-c2csc3ncnc(SCc4cccc5ccccc45)c23)cc1 2389385 IFXPHOBRWYWGOW-UHFFFAOYSA-N 418.974 7.457 0 40 HKAB CCCCOCCCn1c(-c2ccc(C(C)(C)C)cc2)nc2nc3ccccc3nc21 2434101 QMOWKIORBCGVML-UHFFFAOYSA-N 416.569 6.151 0 40 HKAB COc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 2650567 XSKUQPBYTLLLGZ-UHFFFAOYSA-N 407.926 5.889 0 40 HKAB Cc1ccc(Nc2nc(COC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)cs2)cc1 2662657 YFOGWXSVVKLSFW-NRFANRHFSA-N 424.522 5.110 0 40 HKAB Cc1ccc(OCC(=O)Oc2ccc3oc(=O)sc3c2-c2ccc(C)cc2)cc1 2697123 IHCFXGAMEDXDTK-UHFFFAOYSA-N 406.459 5.123 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nccc(-c3cccc(OC(F)F)c3)n2)c1 2786089 WKBKXZGHEGEPON-UHFFFAOYSA-N 415.465 5.093 0 40 HKAB Cc1cc(NC(=O)c2ccc(Oc3ccccc3)cc2)n(-c2cccc(Cl)c2)n1 3234325 VWKHDMBNJRYHTB-UHFFFAOYSA-N 403.869 5.879 0 40 HKAB COc1ccc(NC(=O)CSc2ccc(Br)cc2C)cc1Cl 3235401 OMNRBQGKLBOGGZ-UHFFFAOYSA-N 400.725 5.150 0 40 HKAB COC(=O)c1ccc(COc2ccc3oc(=O)c(-c4ccccc4)c(C)c3c2)cc1 4340590 NPKMZDGEEOORMX-UHFFFAOYSA-N 400.430 5.134 0 40 HKAB biogenic CN(C)CCCN(Cc1ccc(Cl)cc1Cl)Cc1ccc(Cl)cc1Cl 4699208 OLEYXIMHNCCJGF-UHFFFAOYSA-N 420.211 6.254 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2[C@@H](C)C(=O)O)cc1 4782791 ZBAJNPCKUSKXJT-FYSMJZIKSA-N 410.473 5.162 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CCC(=O)[C@@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 4831128 YSWDCQJTPYALJE-OHNQBFQFSA-N 404.635 6.742 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3C=C(C(=O)O)[C@@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 5029297 YGECWQPTUZSNGW-YGINMWHCSA-N 418.618 6.403 0 40 HKAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccccc3[C@@H](C)CC)n2)cc1 5180130 UDBLGTPYXOHZEV-HOTGVXAUSA-N 408.571 5.667 0 40 HKAB CC(=O)O[C@H]1CC[C@@H](OC(C)=O)C[C@H]1C[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12 5515859 IZEANLPYPIOHKC-HSZAHXJDSA-N 404.591 5.839 0 40 HKAB Cc1ccc2oc(-c3cc(NC(=O)C(Cl)(Cl)Cl)ccc3Cl)nc2c1 5710517 HMHPKLHPOXRKBT-UHFFFAOYSA-N 404.080 5.765 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 5904006 LITQMAPOVXTVDI-INIZCTEOSA-N 412.599 5.548 0 40 HKAB O=C(COc1ccc2ccccc2c1)Nc1cc(Cl)ccc1Oc1ccccc1 6221184 CAYJKNSHJCIOOH-UHFFFAOYSA-N 403.865 6.303 0 40 HKAB Cc1ccc(C2=Nc3ccccc3N(C(=O)c3ccccc3)[C@H](c3ccccc3)C2)cc1 6502000 VEZSPUTZYVXHGM-NDEPHWFRSA-N 416.524 6.908 0 40 HKAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c(C)c1 6858579 DBCOLSDZBKYEKX-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB C[C@H](NC(=O)CN1CCC(c2nc3ccccc3s2)CC1)c1cc2ccccc2o1 6978739 MSNLUIWVWUHRAD-INIZCTEOSA-N 419.550 5.099 0 40 HKAB Cc1ccc(-c2nc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cs2)cc1 8314635 MWAUZJXCKMORIF-KRWDZBQOSA-N 419.575 5.748 0 40 HKAB Cc1cc(C)cc(-c2nnc(S[C@@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)o2)c1 8392634 GTZBQKKVWCZNJP-ZDUSSCGKSA-N 412.540 5.122 0 40 HKAB CC(C)C(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 9260617 TWLLKUSOINVUDV-HSZRJFAPSA-N 424.504 5.466 0 40 HKAB Clc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1cccs1)n1ncnc1N2 9312400 VXTGLPYRHQMMRG-NHCUHLMSSA-N 418.909 5.553 0 40 HKAB CCOc1ccc(Oc2ccccc2NC(=O)Cc2ccc(OC)cc2OC)cc1 12800254 LPYGRKWXRBTSBR-UHFFFAOYSA-N 407.466 5.076 0 40 HKAB Cc1coc2cc3oc(=O)c(CCC(=O)N4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)c(C)c3cc12 12897908 XCLMNFANGATWRU-QLXKLKPCSA-N 421.537 5.516 0 40 HKAB Cc1nc(Oc2ccc(Oc3ccccc3)cc2)c2c(-c3cccs3)csc2n1 13138219 ADYOLFMOJWFHOA-UHFFFAOYSA-N 416.527 7.313 0 40 HKAB COc1cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)ccc1OC(F)F 14861839 PZBCQPSNWQAJTN-UHFFFAOYSA-N 409.392 5.092 0 40 HKAB CC(C)c1ccc(N2C(=O)N(Cc3ccc(F)cc3)c3ccccc3S2(=O)=O)cc1 15827264 CPSNUELBLZGAIX-UHFFFAOYSA-N 424.497 5.285 0 40 HKAB Cc1cc(OCC(=O)N(C)[C@H](c2cccs2)c2c[nH]c3ccccc23)ccc1Cl 15835591 IIUUDXIQDUAJNC-QHCPKHFHSA-N 424.953 5.818 0 40 HKAB CCc1ccc2oc(-c3cc(NC(=O)c4cccnc4Cl)ccc3Cl)nc2c1 16162182 VVKVBDWHJLROLX-UHFFFAOYSA-N 412.276 6.011 0 40 HKAB Fc1ccc(CNCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 16401606 JEMGEKUWIODEJI-UHFFFAOYSA-N 418.281 5.596 0 40 HKAB Fc1ccccc1CCNCc1c(OCc2ccccc2Cl)ccc2ccccc12 16525960 YVDPHQRZWLOLTH-UHFFFAOYSA-N 419.927 6.544 0 40 HKAB CCCCCCNC(=O)Nc1cccc2c(NC(=O)NCCCCCC)cccc12 16638013 CZNJOHSBOLCYEE-UHFFFAOYSA-N 412.578 6.243 0 40 HKAB Nc1c(C(=O)Nc2ccccc2C(F)(F)F)c2ccccc2n1C(=O)c1ccccc1 16807304 LEVOCJOGPBJTJO-UHFFFAOYSA-N 423.394 5.183 0 40 HKAB CCCCCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 17088287 PGTDPECZJMVZTP-UHFFFAOYSA-N 409.511 5.078 0 40 HKAB CCCOc1cccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)c1 17092054 QBLBJFBEDBXDEH-UHFFFAOYSA-N 419.959 5.174 0 40 HKAB COc1ccc([C@]23C[C@H](C)Sc4ccccc4N2C(=O)[C@@H]3Oc2ccccc2)cc1 17154316 ODFJXRMKCCRMBW-XPEQFSOGSA-N 417.530 5.269 0 40 HKAB O=C(Cc1csc(-c2cccs2)n1)Nc1nc(-c2ccc(F)c(F)c2)cs1 17342730 ZPRIFEQYDGWUTD-UHFFFAOYSA-N 419.503 5.455 0 40 HKAB Cc1cc(CN(Cc2cccnc2)Cc2ccccc2F)c(C)n1-c1cccnc1 19567642 ANJIFJBIASHZON-UHFFFAOYSA-N 400.501 5.226 0 40 HKAB Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)c1 20407975 AVXPVQVHIBRBSY-FQEVSTJZSA-N 403.869 5.218 0 40 HKAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(-c2ccccc2Cl)o1 27605247 VIDJEEHJINYRAQ-QGZVFWFLSA-N 400.931 5.228 0 40 HKAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cc2cc(F)ccc2s1 28064766 SRKXSKCFOBRODJ-UHFFFAOYSA-N 411.285 5.058 0 40 HKAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1csc(-c2ccsc2)n1 28686076 NTASZRPYVBXDCV-UHFFFAOYSA-N 411.533 5.182 0 40 HKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 30873472 NMNUODOZBWNANT-OAQYLSRUSA-N 414.933 5.199 0 40 HKAB Cc1cc(N2CCCC2)ccc1NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 32895986 XMYJCMITMXLUAB-UHFFFAOYSA-N 418.541 5.340 0 40 HKAB O=C(NC1CCCC1)[C@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 36358497 BAVGCCDBDSHTNC-HSZRJFAPSA-N 420.528 5.331 0 40 HKAB Cc1cc(O)cc2c1O[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)CC2 36425009 GZIFEOYASATJEH-UMTXDNHDSA-N 402.663 8.223 0 40 HKAB biogenic O=C(Nc1cccs1)Nc1ccccc1NC(=O)c1ccccc1C(F)(F)F 38671551 PLUODAFFPRLPEA-UHFFFAOYSA-N 405.401 5.663 0 40 HKAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(Sc2nc(C)cs2)cc1 40146386 ZHONBKCVVREWEB-UHFFFAOYSA-N 422.535 5.049 0 40 HKAB CC(=O)c1sc(N(C(=O)c2ccccc2)c2cccc(C(F)(F)F)c2)nc1C 43779618 BHVMXHMTOTXLSE-UHFFFAOYSA-N 404.413 5.651 0 40 HKAB Cc1c(C(=O)N(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)[nH]c2c1C(=O)CCC2 65622969 MCEBJABCNJIQOG-CYBMUJFWSA-N 404.432 5.227 0 40 HKAB O=C(CN1CCCCC[C@H]1C[C@H](O)c1ccccc1)Nc1ccccc1C(F)(F)F 79052021 CVFSFZOCGDMFRB-RXVVDRJESA-N 420.475 5.012 0 40 HKAB Cc1cccc(OCc2nc3ccccc3n2C[C@@H](O)COc2ccccc2Cl)c1 82086796 KZEGUKXGELOXDW-GOSISDBHSA-N 422.912 5.017 0 40 HKAB Cc1noc([C@@H](C)Sc2nnc(-c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)o2)n1 84286536 RTWGTSSMGXIWBV-ZWNOBZJWSA-N 404.561 5.494 0 40 HKAB CCOCc1ccccc1NC(=O)N(C)[C@@H](c1ccncc1)c1ccc(Cl)cc1 89988697 WPTJUVQMEKXNOC-JOCHJYFZSA-N 409.917 5.525 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@H](c4cccs4)C3=C(O)C2)cc1OC 102740097 XNGOKXJGXLVDES-PEBXRYMYSA-N 422.506 5.669 0 40 HKAB CC(C)C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 105825751 IMTMMGXRAMGUDP-GIBNYFNHSA-N 424.544 5.135 0 40 HKAB biogenic CCCCOc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 106741572 YTTUBVJJQQRIAM-UNOMPAQXSA-N 419.905 5.895 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 219355741 YFUHKLCBGIYBEI-VWLOTQADSA-N 418.537 5.109 0 40 HKAB Cc1ccc(SCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 219761491 PKMOEZMINCTWHR-UHFFFAOYSA-N 411.954 5.750 0 40 HKAB C[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc2c(c1)OCCO2 222700330 VWEYLKMWFJGUNK-MRXNPFEDSA-N 423.896 5.181 0 40 HKAB C[C@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc2c(c1)CCCC2 222974949 RNDGDRMAZDAECI-SFHVURJKSA-N 410.989 5.308 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 223032072 UEROSWIWHSFTFY-PMACEKPBSA-N 401.934 5.533 0 40 HKAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccccc1OC 224577296 NFOFXKJIVYWPTH-UHFFFAOYSA-N 413.420 5.203 0 40 HKAB O=C(NCc1ccco1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224949836 RNAGEFFNWLMOOA-UHFFFAOYSA-N 423.266 5.294 0 40 HKAB COc1cc(C)c(S(=O)(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1C(C)C 225440446 JVOLVFOHMJYCSX-GOSISDBHSA-N 403.588 5.162 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(Br)cc2)cc1 225497490 YJXOEJCUPIFSCE-SFHVURJKSA-N 407.377 5.532 0 40 HKAB COC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)cc3Cl)nc2c1 226344727 OUBVUAAACJVQNT-UHFFFAOYSA-N 400.059 5.086 0 40 HKAB Cc1ccc(OCC(=O)O)c(-c2cc(-c3cccc(F)c3)n(Cc3ccccc3)n2)c1 257289148 PXDZEVRKUBYKKZ-UHFFFAOYSA-N 416.452 5.176 0 40 HKAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 257325682 WTZRQRDAUPUKRY-NRFANRHFSA-N 409.533 5.487 0 40 HKAB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3c(C)cccc3C)C2)cc1 408642703 PNVCHMYHFGXWOE-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(F)cc2F)cc1 408674779 CMCXOMLSYDRBMD-UHFFFAOYSA-N 420.415 5.105 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3C)n2)c1 408697997 KUQYBNPFQMDCKE-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(CC)cc3)nc2-c2ccccc2)cc1 408698955 QHGHPAISXVNRGW-UHFFFAOYSA-N 412.493 5.148 0 40 HKAB Cc1sc(Nc2cccc(Cl)c2Cl)nc1-c1ccc(Cl)c(Cl)c1 409044277 BNETYIIBTRBBID-UHFFFAOYSA-N 404.149 7.476 0 40 HKAB CCc1ccccc1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 409115237 HSYJNSKHLZJLAH-UHFFFAOYSA-N 401.937 7.247 0 40 HKAB CCOc1cc(CNc2ccccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409115861 HVSKSJLCXXHULC-UHFFFAOYSA-N 411.523 5.082 0 40 HKAB Cc1ccc2c(C)c(C(=O)Nc3nnc(-c4ccc(Cl)cc4F)s3)oc2c1 526052330 ZTIPTDIPHYRZMH-UHFFFAOYSA-N 401.850 5.613 0 40 HKAB O=C(COc1ccc(-c2ccccc2)cc1)N[C@@H](c1cccs1)C1CCOCC1 1565522865 AMPBXIMIFGVCJT-XMMPIXPASA-N 407.535 5.078 0 40 HKAB CC(C)c1nc(SCC(=O)c2cccs2)c2c3c(sc2n1)C[C@@H](C)CC3 1375691 PWTDTJXCFJKDHQ-LBPRGKRZSA-N 402.610 5.976 0 40 HKAB COc1ccc(Oc2nc(SCc3c(Cl)cccc3Cl)ncc2OC)cc1 1391938 UIQCQBMATIFNEM-UHFFFAOYSA-N 423.321 5.885 0 40 HKAB Cc1nn(C)c(Oc2cccc(C(F)(F)F)c2)c1C(=O)Nc1ccc(F)cc1F 1401137 MSEDHPXJXOCTIP-UHFFFAOYSA-N 411.330 5.070 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)CCCOc4ccccc4C)cc3)sc2c1 1772538 FBUTYQLALDZJEC-UHFFFAOYSA-N 416.546 6.378 0 40 HKAB Oc1ccc(-c2cc(-c3ccccc3Cl)c3cc(Br)ccc3n2)cc1 2028067 CEJDEVWYXSISLC-UHFFFAOYSA-N 410.698 6.690 0 40 HKAB Cc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1F 2094813 QEXIVURMMVDUST-UHFFFAOYSA-N 407.441 5.483 0 40 HKAB biogenic CC1(C)[C@H]2CC[C@]1(C)[C@H](OCCN(C(=S)Nc1ccccc1)C1CCCCC1)C2 2289294 WXKBIDBDHLMSPC-UWUFEASWSA-N 414.659 6.250 0 40 HKAB CCCCc1nc2sc3c(NCCc4ccccc4)ncnc3c2c2c1CCCC2 2292842 GGXDBUNWYSZKTI-UHFFFAOYSA-N 416.594 6.116 0 40 HKAB CCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(C)(C)OC3 2318450 FKDHJTDJBUDCQD-UHFFFAOYSA-N 414.596 5.250 0 40 HKAB CCCCSc1nc(NCCN(CC)CC)c2c3c(sc2n1)COC(C)(C)C3 2398416 CLFSTXVCWKJODP-UHFFFAOYSA-N 422.664 5.189 0 40 HKAB Cc1nc(SCC(=O)Nc2cccc(Cl)c2Cl)c2oc3ccccc3c2n1 2407398 PIBGHEGQSMVCAZ-UHFFFAOYSA-N 418.305 5.722 0 40 HKAB CCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(Br)c(C)c1)CO3 2450280 HJROEAAJASCLSI-UHFFFAOYSA-N 414.299 5.091 0 40 HKAB O=C(Nc1ccccc1)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 2562081 MEMTZUZVTLVFGB-UHFFFAOYSA-N 407.779 6.190 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccc(F)cc4)ncnc32)cc1 2714376 PPBHVUOYTJWSNH-UHFFFAOYSA-N 408.480 6.147 0 40 HKAB O=C1c2ccccc2N[C@H](c2ccccc2C(F)(F)F)N1c1ccc(Cl)cc1 2746504 FHBJYZYFYIIUSX-IBGZPJMESA-N 402.803 6.130 0 40 HKAB COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4c(C)cccc4C)c3n2)cc1 2770361 WUKMEAGARAKGME-UHFFFAOYSA-N 422.435 5.212 0 40 HKAB O=C(/C=C/c1ccc(F)cc1)Nc1ccccc1NC(=O)/C=C/c1ccc(F)cc1 3256571 GKWRGJUWKHQJKM-KAVGSWPWSA-N 404.416 5.269 0 40 HKAB COc1cccc(/C=C(/C(=O)OCc2c(Cl)cccc2Cl)c2ccccc2)c1 3320938 QSLMGWKHSQUCLI-XMHGGMMESA-N 413.300 6.286 0 40 HKAB O=C(CCCSc1nc2ccccc2s1)Oc1ccc2oc3ccccc3c2c1 3359019 SSNBTCOYNHQBEB-UHFFFAOYSA-N 419.527 6.674 0 40 HKAB C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 3669346 OMTSQBNURCOIEJ-PIGMASFWSA-N 408.328 6.475 0 40 HKAB O=C(CC(=O)c1cnc(Nc2ccc(Cl)c(Cl)c2)s1)Nc1ccccc1 4001899 YKEMTNUXEAPIBQ-UHFFFAOYSA-N 406.294 5.405 0 40 HKAB CCC(C)(C)c1ccc(OCCCCNP(=O)(OC)OC)c(C(C)(C)CC)c1 4017954 WOQGWVKOZCCVMN-UHFFFAOYSA-N 413.539 6.211 0 40 HKAB CCc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)s1 4036382 PAOHYNLIPRBHPY-UHFFFAOYSA-N 415.565 5.091 0 40 HKAB FC(F)(F)c1cc(C(F)(F)F)c2ccc3nnc(/C=C/c4ccccc4)n3c2n1 4052703 OYJGWTQHDOCPTD-SOFGYWHQSA-N 408.305 5.486 0 40 HKAB Cc1ccc(-n2nc3c(c2NC(=O)C24CC5CC(CC(C5)C2)C4)CSC3)c(C)c1 4176203 ZNWSFEWSIDVWQR-UHFFFAOYSA-N 407.583 5.391 0 40 HKAB CC(=O)N1N=C(c2ccccc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 4176801 LHNYQAXINGMVJO-SANMLTNESA-N 420.516 5.545 0 40 HKAB COC(=O)CCCCCc1ccc(Cc2ccc(CCCCCC(=O)OC)cc2)cc1 4783226 OQCOGXDERXSULP-UHFFFAOYSA-N 424.581 5.829 0 40 HKAB CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 4897840 QKQNMXXECUEYFO-XNMGPUDCSA-N 412.533 6.451 0 40 HKAB CCc1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 5030846 CFYDKLIRFUOYCC-UHFFFAOYSA-N 414.509 5.208 0 40 HKAB CCCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c1C 5333313 ZMUWTGFCMQPKIE-UHFFFAOYSA-N 412.534 5.222 0 40 HKAB O=C(Cc1ccccc1)Nc1sc2ccccc2c(=O)c1-c1cccc(Cl)c1 5346091 QPAZWEDUGNNMQX-UHFFFAOYSA-N 405.906 5.763 0 40 HKAB Brc1ccccc1CSc1nnc(Cc2cccs2)n1C1CC1 5396720 XUYPTEWOGJQJDW-UHFFFAOYSA-N 406.374 5.320 0 40 HKAB Cc1cc(C(=O)CSCc2ccc(Cl)cc2Cl)c(C)n1Cc1ccco1 5936638 VBHAWGDYPXGFFN-UHFFFAOYSA-N 408.350 6.169 0 40 HKAB COc1ccccc1-n1c(SCc2cccc(Cl)c2)nc2ccccc2c1=O 6035263 YKDJYMGLLJYQEH-UHFFFAOYSA-N 408.910 5.340 0 40 HKAB CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccc2ccccc2c1 6207394 LBMHXQZRFCQVQO-UHFFFAOYSA-N 419.590 6.225 0 40 HKAB COc1ccc(-c2nc(NC(=O)COc3ccc4ccccc4c3)sc2C)cc1 6217504 CPRYICJYAHJUTC-UHFFFAOYSA-N 404.491 5.298 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1C(=O)c1ccccc1 6825003 AKFWQDDCAOGWLU-UHFFFAOYSA-N 416.864 5.787 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1 7061278 BRWVYMFGYWZJKV-CYBMUJFWSA-N 417.336 6.381 0 40 HKAB COc1cc(CNCc2ccccc2C)ccc1OC[C@H](O)c1ccc(C)c(C)c1 7736181 SVWMLJWWVVICBZ-DEOSSOPVSA-N 405.538 5.023 0 40 HKAB COc1ccc([C@H]2CCCN2Cc2cc(=O)oc3cc(C)c(Cl)cc23)c(OC)c1 7740070 XDHACBYXGFMUCW-HXUWFJFHSA-N 413.901 5.109 0 40 HKAB Cc1cc(-c2csc(CC(=O)NCc3ccccc3)n2)c(C)n1Cc1cccs1 8324553 DEILIAFBFHWSGS-UHFFFAOYSA-N 421.591 5.197 0 40 HKAB Cc1c(Cl)cccc1NCc1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 8330297 ABHFJCMHZQWEQW-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)cc1 9062152 ZPDNQNPXFMTJFB-UHFFFAOYSA-N 414.490 5.018 0 40 HKAB O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cccnc1Cl 9136980 SQCQIAKGYDVPRU-UHFFFAOYSA-N 420.202 5.727 0 40 HKAB CCCN1C(=O)C2=C(CCCC2)[C@@H]1c1c(-c2cccc(OC)c2)[nH]c2ccccc12 9190725 ZHURDOYKMGJPEM-RUZDIDTESA-N 400.522 6.007 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(C(C)(C)C)cc3)C(C)(C)C)cc2c1 9192073 GNLJBNKHQJQGMZ-UHFFFAOYSA-N 404.554 5.575 0 40 HKAB Cc1cc(O[C@H](C)C(=O)N(Cc2ccco2)Cc2sccc2C)ccc1Cl 9204561 FBTBMAMWRLXCRW-MRXNPFEDSA-N 403.931 5.608 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1O 9233354 ADIHAIFZIXPPCD-RQZCQDPDSA-N 424.305 5.334 0 40 HKAB O=C(CN1C(=O)C[C@H](c2ccccc2)Sc2ccccc21)Nc1ccc(F)cc1F 9345515 YFBJZMGUSVAKLF-OAQYLSRUSA-N 424.472 5.174 0 40 HKAB C[C@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)c1ccc(Cl)cc1 9465119 VBHODSWQXQJIIU-JTQLQIEISA-N 423.719 5.516 0 40 HKAB Fc1ccccc1-c1nc(-c2ccc3c(c2)sc2ccccc23)c(-c2ccccc2)[nH]1 9601564 NUADQZWXCJPIKO-UHFFFAOYSA-N 420.512 7.918 0 40 HKAB Cc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)Cc3ccc(F)cc3)nc12 10020599 PQFFHKQATDLQCD-UHFFFAOYSA-N 405.498 5.223 0 40 HKAB Cc1ccc(-c2cc(-c3nn4c(-c5ccccc5)nnc4s3)c3ccccc3n2)cc1 11690326 HXUASGZROATICA-UHFFFAOYSA-N 419.513 6.043 0 40 HKAB Cc1c(-c2nc3ccccc3c(-c3ccccc3)c2Br)oc2ccccc12 12551025 AVYSCIRGEDRFAH-UHFFFAOYSA-N 414.302 7.386 0 40 HKAB Cc1nc(-c2ccc(N[C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)cc2)cs1 12632342 DSZJYTUBYDWHLI-LBPRGKRZSA-N 405.445 5.576 0 40 HKAB COc1ccc(CNC(=O)c2oc3ccccc3c2CSc2nc(C)cs2)cc1 14093135 VWOVVBFUUPVEMG-UHFFFAOYSA-N 424.547 5.429 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cc1cc(-c3ccco3)on1)CC2 14254462 OWLKMGWUSIQXRD-VWLOTQADSA-N 416.477 5.100 0 40 HKAB Cc1ccc([C@@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(C)cc2C)cc1 15412208 PPHXYOGVFOAINC-AREMUKBSSA-N 412.533 5.350 0 40 HKAB Cc1nc2cc(NC(=O)Cc3csc(COc4ccc(Cl)cc4)n3)ccc2o1 16261462 GQJPPACZTQNLIT-UHFFFAOYSA-N 413.886 5.006 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4cc(Cl)ccc4C)nccn3n2)cc1 17051542 DKLFWFFNZOSQRJ-UHFFFAOYSA-N 422.941 5.397 0 40 HKAB Cc1cccc(-c2nn(Cc3ccc(Cl)cc3Cl)c(-c3cccc(C)c3)c2C)c1 17092639 VMPRFBDZTHFEST-UHFFFAOYSA-N 421.371 7.497 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1 17093968 PZXCORDNLGAPSI-UHFFFAOYSA-N 424.522 5.440 0 40 HKAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCN2C(=O)c2ccc(Cl)c(Cl)c2)on1 19122440 MLNUOHOKHXXDQX-QGZVFWFLSA-N 417.296 5.033 0 40 HKAB Cc1ccccc1C(=O)N[C@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20418396 GVXQCAUZGUMWGA-HXUWFJFHSA-N 403.869 5.218 0 40 HKAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCSCc3cccc(Cl)c3)cc2)C1 22510265 PDLVYAJZIQIWNL-GOSISDBHSA-N 417.018 5.235 0 40 HKAB Cc1ccccc1NC(=O)c1sc2c(c1C)[C@H](c1c(F)cccc1F)CC(O)=N2 32096865 OPTMCNSTRSJYKL-CYBMUJFWSA-N 412.461 6.019 0 40 HKAB O=C(c1ccc(NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)nc1)N1CCCC1 32828980 KSJJVIMANCSUOP-JOCHJYFZSA-N 410.521 5.043 0 40 HKAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1 32986049 BFLXOKPPKSXADL-UHFFFAOYSA-N 406.404 5.081 0 40 HKAB O=C1[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1cccc(Cl)c1 33379934 NPVJGFQTYBSJJL-YQORSWRPSA-N 420.295 5.087 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nc5ccccc5o4)c3)o2)cc1C 33647026 LYVJLHHVPYZWQW-UHFFFAOYSA-N 408.457 6.624 0 40 HKAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3-c2ccccc2F)cc1Cl 36616185 VGFLTAYJJSGJGU-UHFFFAOYSA-N 420.875 5.651 0 40 HKAB O=S(=O)(c1ccccc1)c1nc(-c2ccccc2)oc1NCc1ccc(Cl)cc1 39844066 JSAVCZHHFHYGIH-UHFFFAOYSA-N 424.909 5.440 0 40 HKAB CCOC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(C)cc1 44085552 CWGVTTKKOAELTG-UHFFFAOYSA-N 421.349 5.810 0 40 HKAB NC(=O)[C@H](OC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)c1ccccc1 58785014 AITBMTCRDKJIMZ-CQSZACIVSA-N 414.697 5.245 0 40 HKAB O=C(N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1)C1(c2cccs2)CCCC1 90607575 HZGXKZWBWYCXIA-UHFFFAOYSA-N 424.488 5.044 0 40 HKAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1cc(-c2cccs2)on1 96096735 CUHKVXFMMXIGCR-UHFFFAOYSA-N 415.927 5.418 0 40 HKAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)C=C[C@H](c4ccccc4)[C@@H]3C2=O)c1 100771333 ZRLFIXJRKNCCHY-XPGKHFPBSA-N 421.496 5.132 0 40 HKAB COc1ccc(-c2ccc(CNc3ccc(CN4CCC(C)CC4)cc3)cc2)cc1 141525177 VCLPOKQMYJTNNV-UHFFFAOYSA-N 400.566 6.206 0 40 HKAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCOc3ccccc3C(C)(C)C)cc2)C1 223709688 ANFWONNYUWSTHB-HXUWFJFHSA-N 408.586 5.025 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1cccc(OC)c1 224594766 XMRQWNMCAXBSMT-QGZVFWFLSA-N 423.484 5.303 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1 224604606 UQBKKUOCRDTSOV-LJQANCHMSA-N 414.977 5.196 0 40 HKAB CCOc1ccc(C(=O)NCc2ccccc2)cc1COc1cc(C)cc(C)c1C 224606790 RKFWGSXEDWBODO-UHFFFAOYSA-N 403.522 5.520 0 40 HKAB CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(SC)cc1 224986108 CSNNFCUODJXIDR-UHFFFAOYSA-N 413.564 5.203 0 40 HKAB Cc1cc(NC(=S)NCCSCc2ccccc2C)ccc1Br 225361010 RMBLAFPYBJDIEG-UHFFFAOYSA-N 409.418 5.286 0 40 HKAB CCOc1ccccc1NC(=S)NCCSCc1c(Cl)cccc1Cl 225363934 VUVTYMZICQWXRX-UHFFFAOYSA-N 415.411 5.612 0 40 HKAB CC(C)Oc1cccc(CCCNC(=S)Nc2ccc(OC3CCCC3)cc2)c1 225566341 DOXLYSSQLDKICE-UHFFFAOYSA-N 412.599 5.714 0 40 HKAB Fc1ccc(CSCCCNC(=S)Nc2cccc(Br)c2)cc1 225614443 MGXWGEZMLGNMFS-UHFFFAOYSA-N 413.381 5.198 0 40 HKAB COC1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCCCCC1 225631716 MAUBXGBFAZVBJD-FQEVSTJZSA-N 402.579 5.008 0 40 HKAB Cc1ccc(Oc2ccccc2O[C@@H]2CCC[C@@H](N(C)Cc3ccccc3)[C@H]2O)cc1 257221689 DQCOWENYVZGCLL-XSBVVTFOSA-N 417.549 5.580 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)C(=CC[C@@H]4[C@@H]4COC(=O)C4)[C@H]3CC[C@@H]2C1 263606861 RIXRDVKJMJLULT-JLFLNNJFSA-N 400.559 5.060 0 40 HKAB CCOc1cc(/C=C/C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)ccc1OC 408603064 PXEPDHLNXIXTCS-OMCISZLKSA-N 419.477 5.547 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc2nc(SCc3cccc(F)c3)sc2c1 408750466 NLNAQDNGYAJVLL-UHFFFAOYSA-N 408.523 6.288 0 40 HKAB O=C1N/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1c1ccccc1 409011522 NRKJRZZJYJQTJV-XSFVSMFZSA-N 404.853 5.016 0 40 HKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)c(C)c1 409121773 ZYKPAUGFXHXRMI-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB Cc1ccc(C(=O)CN2C(=O)S/C(=C\c3cc(C)n(C4CCCC4)c3C)C2=O)cc1 409126927 BZORZZIQMBFVOH-XKZIYDEJSA-N 422.550 5.448 0 40 HKAB Clc1ccc(NCc2ccc(OCc3cccc4ccccc34)cc2)cc1Cl 409206046 LXRPIPXFIAEDCS-UHFFFAOYSA-N 408.328 7.338 0 40 HKAB Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1Cc1ccccc1 409209897 JQRDDQUJBORZKX-CIAFOILYSA-N 422.937 6.048 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)NCCSCc3ccccc3C)cc2)cc1 409411156 DNJWUNDINSGNHC-UHFFFAOYSA-N 421.631 6.259 0 40 HKAB COc1ccc([C@H](CCN(Cc2ccccc2)C(C)=O)[C@H]2CCOC(C)(C)C2)cc1 915276 CIXLOJIXHJGRAX-ZCYQVOJMSA-N 409.570 5.423 0 40 HKAB CC(C)CC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCCC2)cs1 1366509 HHPBZRKFPIWNKY-UHFFFAOYSA-N 411.571 5.264 0 40 HKAB CCOC(=O)c1c(C)oc2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc12 1447873 JRLPHYKGJDIEQT-UHFFFAOYSA-N 415.445 6.255 0 40 HKAB biogenic CCN(CC)CCOC(=O)[C@@H]1[C@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 1699501 KBRRUVKSKDQSOP-UIOOFZCWSA-N 413.561 5.271 0 40 HKAB CCCSc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 2292861 FMNGXJUVKGDDNT-UHFFFAOYSA-N 411.552 5.853 0 40 HKAB COc1cccc(/C=C/C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)c1 2633485 FVMGAEOZJAGZQU-CCEZHUSRSA-N 419.502 5.042 0 40 HKAB Cc1nc2ccc(NC(=O)CCN3c4ccccc4Sc4ccccc43)cc2s1 2647423 CLMXBVQWZARHFO-UHFFFAOYSA-N 417.559 6.236 0 40 HKAB COC[C@@H](C)n1c(SCc2csc(-c3ccccc3)n2)nc2ccccc2c1=O 2647579 SHBQWPDPGCMTOB-OAHLLOKOSA-N 423.563 5.020 0 40 HKAB CCCC[C@H](CC)CNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2745448 QKEIGPRUPTUPDT-HNNXBMFYSA-N 400.975 6.563 0 40 HKAB CCCCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 2746597 QOWMHKRAHDPADN-XMMPIXPASA-N 404.485 6.166 0 40 HKAB Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)Nc2ccc(Br)cc2)c1 3060964 YKORZPKYRKYDLI-JOCHJYFZSA-N 420.350 6.011 0 40 HKAB O=C(CSc1ccccc1)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1 3219729 JXFFWSFAWGDKQI-UHFFFAOYSA-N 416.571 6.136 0 40 HKAB CC(C)(C)c1ccc(CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 3295909 SETJOTRUVLHEFY-UHFFFAOYSA-N 421.056 7.074 0 40 HKAB O=C(CCSc1ccccc1Cl)OCC(=O)c1ccc(C2CCCCC2)cc1 3344498 LYTODSIYPCRKSW-UHFFFAOYSA-N 416.970 6.296 0 40 HKAB Cc1ccc(C)c(CSc2cn(CCNC(=O)c3ccccc3)c3ccccc23)c1 4059793 AHZTXAYQRSQACT-UHFFFAOYSA-N 414.574 5.980 0 40 HKAB Cc1c(-c2cc(=O)oc3cc4c(cc23)CCCC4)oc2ccc(Br)cc12 4062894 KQGAGDFAUCLULW-UHFFFAOYSA-N 409.279 6.156 0 40 HKAB biogenic Cc1cccc2sc(N(Cc3cccnc3)C(=O)CCOc3ccccc3)nc12 4273221 JNPJRGLYAHNCQJ-UHFFFAOYSA-N 403.507 5.002 0 40 HKAB CC(=O)Nc1ccc(NCc2nn3cc(-c4ccc(C)cc4)c4c3n2CCCC4)cc1 4303654 RPTWZRRVMHPTAY-UHFFFAOYSA-N 413.525 5.018 0 40 HKAB Cc1ccc(-c2nc3c(c(SCc4ccccc4)n2)Cc2cc(C)ccc2O3)cc1 4315814 BMGIURYBLWTHMF-UHFFFAOYSA-N 410.542 6.749 0 40 HKAB Cc1ccc(CSCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1 4704935 FPKGBSPBKFNQLH-UHFFFAOYSA-N 414.423 5.585 0 40 HKAB O=C1C[C@@]2(c3ccccc31)c1ccccc1[C@@]1(c3ccccc3)c3ccccc3C(=O)[C@H]21 4831165 FYBGQGQDKPCNAS-IDZRBWSNSA-N 412.488 5.720 0 40 HKAB O=C1CCCC(=O)C12Cc1ccc(Cl)cc1N1CC[C@@H](Cc3ccccc3)C[C@H]12 4915201 PGQBPMVSBPQSQY-AVRDEDQJSA-N 407.941 5.032 0 40 HKAB Cc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4c(F)cc(F)cc4c32)cc1C 4970148 LANGNRBUBYUVAX-UHFFFAOYSA-N 403.407 6.275 0 40 HKAB Cc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccccc4Cl)c3c2c1 4970330 FBJTXRSGJYMVES-UHFFFAOYSA-N 404.300 6.856 0 40 HKAB COc1ccc(-c2nc3c(s2)CN(C(=O)c2ccc4ccccc4c2)CC3)cc1 5352797 RDYDLHKNEIYJGC-UHFFFAOYSA-N 400.503 5.170 0 40 HKAB CC(C)(C)P(=NC(=O)Nc1ccccc1)(N1CCCCCC1)N1CCCCCC1 5496370 NHOHYMJRNKZZFO-UHFFFAOYSA-N 418.566 6.800 0 40 HKAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1cccs1)C[C@H](C(C)(C)C)CC3 5516177 AQWZRHZZEPIIAZ-CQSZACIVSA-N 403.569 5.755 0 40 HKAB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1cc2ccccc2o1 6496535 LDRSNCIAJBFOIT-UHFFFAOYSA-N 404.425 6.647 0 40 HKAB CCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)cc1 6636271 WTBZPZLURWQVJG-UHFFFAOYSA-N 414.509 5.332 0 40 HKAB Cc1cc(C(=O)CSc2nnc([C@H](C)Oc3ccccc3F)o2)c(C)n1C1CC1 7138139 IMNROZQQWHILTM-AWEZNQCLSA-N 415.490 5.077 0 40 HKAB Cc1ccc(Nc2nc(N3CCC[C@@H](C)C3)nc3c2cnn3-c2ccccc2)cc1C 7450911 FEQUNBPMLGHZFD-QGZVFWFLSA-N 412.541 5.412 0 40 HKAB Cc1ccc(C)c(C(=O)[C@@H](C)OC(=O)c2ccccc2OCc2ccc(Cl)cc2)c1 7990736 FRMVDHZJMBIPKE-GOSISDBHSA-N 422.908 5.964 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccccc4)cc3)nc2c1 8198159 HSWNKUPDPNDFMI-KRWDZBQOSA-N 400.478 6.026 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2ccc3ccccc3c2)cc1OCc1ccccc1 8206394 ANUKVLXVWHYRGV-UHFFFAOYSA-N 417.892 6.333 0 40 HKAB CC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccc(Br)cc3)ccc21 9164783 NYPWCOGNZDCWHJ-UHFFFAOYSA-N 415.331 5.027 0 40 HKAB CCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)c1ccccc1 9250198 SMMXPGLJUQHROI-UHFFFAOYSA-N 420.534 5.324 0 40 HKAB CCCCOc1cccc(C(=O)Nc2nnc(-c3cc(Cl)ccc3Cl)o2)c1 9274935 URKJHULFYSLBCJ-UHFFFAOYSA-N 406.269 5.475 0 40 HKAB COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nc(C)c(C)n1CC(C)C 9378234 SJNUMLHKHSNIOC-UHFFFAOYSA-N 403.592 5.193 0 40 HKAB O=C(Cc1ccc(F)cc1)Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2 9504674 VXDZRPCMRUKLIZ-UHFFFAOYSA-N 422.550 6.224 0 40 HKAB O=C(COc1ccc2ccccc2c1)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 10128851 YDZDUUPIEIBBLQ-UHFFFAOYSA-N 421.452 5.631 0 40 HKAB O=C(NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1)[C@@H]1CC=CCC1 12257235 HYTBUTQETWEJFC-OAQYLSRUSA-N 410.521 5.056 0 40 HKAB Clc1ccc(-n2nnnc2-c2cnc3ccc(Cl)cc3c2-c2ccccc2)cc1 12340676 VMUQUCUYUBHCEI-UHFFFAOYSA-N 418.287 5.851 0 40 HKAB COc1ccccc1Oc1coc2c3c(ccc2c1=O)OCN(Cc1cccs1)C3 12442421 JBOAGTJXMGXBMM-UHFFFAOYSA-N 421.474 5.008 0 40 HKAB biogenic Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3ccccc3F)s2)cc1Cl 12776647 IJOZSAOBCSPXTL-NSHDSACASA-N 422.938 5.502 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](N[C@@H](C)c1cc2ccccc2o1)c1ccccc1 12813614 IFMNCHLWKKYWJI-BVZFJXPGSA-N 414.505 5.780 0 40 HKAB CCOC(=O)CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 13597270 IEVKEJDESCHXNB-UHFFFAOYSA-N 421.547 5.050 0 40 HKAB Clc1ccc(SCc2nnc3sc(-c4ccc5ccccc5n4)nn23)cc1 13730098 YTQGNHVCYIYOSL-UHFFFAOYSA-N 409.927 5.347 0 40 HKAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CCCCC1 14399968 DWIFGNGBOHGAOA-UHFFFAOYSA-N 414.933 5.200 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1C 14405393 OUYSHKNABMJWAW-UHFFFAOYSA-N 424.932 5.458 0 40 HKAB Cc1ccc([C@@H](CNC(=O)C(c2ccccc2)c2ccccc2)N2CCCCC2)o1 15860203 ZJULDQGVALWFME-HSZRJFAPSA-N 402.538 5.063 0 40 HKAB CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(Cl)c2)o1 15881590 NZWMFIPCDSOUDE-UHFFFAOYSA-N 408.889 5.182 0 40 HKAB COc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 16214723 IYKAUORAYUOHEB-UHFFFAOYSA-N 420.311 6.010 0 40 HKAB Clc1ccc(COc2ccc3ccccc3c2CNCc2ccccc2)c(Cl)c1 16480087 ASXKMJHHDVQCFQ-UHFFFAOYSA-N 422.355 7.015 0 40 HKAB O=C(Nc1ccccc1)Nc1ccccc1N(C(=O)Nc1ccccc1)c1ccccc1 16489660 KMSVMMYPCIMABV-UHFFFAOYSA-N 422.488 6.701 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)ccc1Cl 20144271 KKXBQUWMHLJBTC-UHFFFAOYSA-N 406.265 5.072 0 40 HKAB COc1ccc([C@@H]2CC(=O)[C@@H](c3ccccc3)[C@@H](c3ccc(OC)cc3)N2C)cc1 22079012 WTVVWISEQLSDPA-SKBVVQJISA-N 401.506 5.175 0 40 HKAB CN(C)[C@@H](CNC(=O)c1ccccc1SCc1cccs1)c1cccc(F)c1 22766962 AGJULYHRYHKCQZ-FQEVSTJZSA-N 414.571 5.212 0 40 HKAB COc1ccc([C@H]2CCCCCN2C(=O)CCC(=O)c2ccc(SC)cc2)cc1 24393542 SXUMKVWOYHPWBI-JOCHJYFZSA-N 411.567 5.524 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3)c(OC)c2)cc1 33736734 ILOKFLKLLPRMQR-UHFFFAOYSA-N 404.510 5.196 0 40 HKAB O=C(Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1Cl)c1ccccc1 33761892 IFJNLZXXDGDWDE-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB CCC(=O)O[C@@H]1C=C2CC[C@H]3[C@@H]4CC[C@H](OC(=O)CC)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 35051198 AWORKLQNESDOMD-YMKPZFJOSA-N 402.575 5.593 0 40 HKAB CCOc1c(Br)cc(CNc2ccc(Br)cc2)cc1OC 36815668 QARMFQWEGHRNEC-UHFFFAOYSA-N 415.125 5.231 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 39724096 AZNCYVNGINBABY-OAHLLOKOSA-N 424.378 6.021 0 40 HKAB O=C(Nc1nnc(SCc2ccccc2)s1)[C@H]1CCC[C@H](C(F)(F)F)C1 40140433 BCVOWEPXYUZUIC-STQMWFEESA-N 401.479 5.138 0 40 HKAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(OCc2ccccc2Cl)cc1 44899706 WDMFIQNILFSVDG-UHFFFAOYSA-N 417.896 5.035 0 40 HKAB CSc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1 67288472 SDPGJTMHMYUBHP-UHFFFAOYSA-N 409.530 5.334 0 40 HKAB O=C(c1cc(F)ccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 72331373 BYGZNSRXKNYVES-UHFFFAOYSA-N 408.904 5.027 0 40 HKAB O=C(c1ccc2ncccc2c1)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 72361056 WLAFYKGZFJTFTL-JOCHJYFZSA-N 414.896 5.323 0 40 HKAB O=[S@]1CC[C@H](Nc2nc(-c3cccs3)nc3scc(-c4ccccc4)c23)C1 78967910 DFMKRJUPISCLJX-PGGUUEOZSA-N 411.577 5.020 0 40 HKAB CC(C)(C)c1nnc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)s1 84325415 TUOUIGLSZKMCMZ-UHFFFAOYSA-N 422.485 5.549 0 40 HKAB O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)c1ccc2ccccc2c1 84605792 NNLINFWWRQNKRH-UHFFFAOYSA-N 412.536 5.931 0 40 HKAB Cc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccccc5)cn34)n2)cc1F 96038069 JEFSQIHONPARDS-UHFFFAOYSA-N 410.452 5.492 0 40 HKAB COc1ccccc1NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O 96115350 STAIKGBFPCSCLU-UHFFFAOYSA-N 405.450 5.044 0 40 HKAB biogenic Cc1ccc(/N=c2/ssc3c2-c2cc(Cl)ccc2NC3(C)C)cc1Cl 102436146 QPSBHCDKMRIQCF-RELWKKBWSA-N 407.391 6.985 0 40 HKAB CCC[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@@]1(O)CCC 102696864 FFNLFWCXKWZQKH-ADPKEXQPSA-N 420.424 6.963 0 40 HKAB CC1=C[C@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@H](c3ccc4c(c3)OCO4)[C@H]1[C@@H]2C 106867337 FSFRMGYTTNBARV-CQOSLTOGSA-N 420.505 5.178 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)COc1ccc(C(C)(C)C)cc1Br 218881419 NBYMZWKLCWSVDR-UHFFFAOYSA-N 418.375 6.196 0 40 HKAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2nc3ccccc3s2)S1 222592478 LFOKVILYKKORGS-KPOBHBOGSA-N 417.563 5.071 0 40 HKAB CC(C)c1ccccc1OCCNC(=O)CSCc1ccc(Br)cc1 223749050 UVTHASZNNCTLDE-UHFFFAOYSA-N 422.388 5.001 0 40 HKAB C[C@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCC3)cn2)C1 223973991 YXYKBZUHMAJZQN-BGYRXZFFSA-N 422.642 5.362 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1cc(C)cc(C)c1 224196191 XXUCUGITPACHIT-UHFFFAOYSA-N 403.478 5.346 0 40 HKAB COc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1cccc2ccccc12 224298696 VMTVULUUZFPTPD-UHFFFAOYSA-N 415.533 6.048 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1c1ccc(Cl)cc1 224480301 HVJUWGGGGULFBU-YADHBBJMSA-N 422.985 5.829 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3c(C)cc(C)cc3C)o2)cc1 224913533 AXSNKQBVCMINLS-UHFFFAOYSA-N 412.489 6.195 0 40 HKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CCCC1 225012952 CHKQHPHJHDVNMA-DHIUTWEWSA-N 408.615 5.530 0 40 HKAB COc1ccc(Cl)cc1C(=O)NCCSCc1ccc(Cl)cc1Cl 225035428 OXAQXYGSZXODMK-UHFFFAOYSA-N 404.746 5.319 0 40 HKAB COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225265765 DFGFEAOBYJKISM-NSHDSACASA-N 418.868 5.121 0 40 HKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c1 408621188 KGKTXXIDGZNPRA-UHFFFAOYSA-N 403.265 5.854 0 40 HKAB CCOc1ccccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 408621220 KOWGGQJAQVNVIM-CSKARUKUSA-N 402.277 6.304 0 40 HKAB CCN1N=C(c2ccc(C)cc2)[C@@H]2C=C[C@H](O)c3c(C(=O)c4ccc(C)cc4)ccc1c32 670417858 XFZPBTQFWLBZNL-QPPBQGQZSA-N 422.528 5.465 0 40 HKAB Nc1c(C(=O)Nc2cc(Cl)ccc2Cl)sc2nc(-c3cccs3)ccc12 660263 MMXJAEHFWYZYJK-UHFFFAOYSA-N 420.346 6.166 0 40 HKAB Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(C)cc2)N3)cc1 674949 AVMNAHJCASIZOO-IEBWSBKVSA-N 414.431 5.413 0 40 HKAB O=C(Nc1ccc2sc3ccc(NC(=O)C(F)(F)F)cc3c2c1)C(F)(F)F 838084 WOBYRMWNZJDNOT-UHFFFAOYSA-N 406.307 5.056 0 40 HKAB O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)-c1ccccc1C2=O 991246 VHPMTRRRQUZTQG-UHFFFAOYSA-N 411.240 5.245 0 40 HKAB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(Cl)cc1 992725 GBJSHIODSAWICX-UHFFFAOYSA-N 407.878 5.656 0 40 HKAB aggregator CCOc1ccc(-c2csc(NC(=O)c3cccc4ccccc34)c2C(=O)O)cc1 2297114 DRYFEFCRWRRRDR-UHFFFAOYSA-N 417.486 5.918 0 40 HKAB CCc1nc(SCc2ccc3c(c2)OCO3)c2c3c(sc2n1)COC(C)(C)C3 2340845 KPJNRFSWKLVIIZ-UHFFFAOYSA-N 414.552 5.126 0 40 HKAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCc3ccc(F)cc3Cl)cc12 2349850 SYIRUOSQVNKRQQ-UHFFFAOYSA-N 404.865 6.279 0 40 HKAB biogenic Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4c(C)cccc4C)c23)cc1 2371008 UTDUJDWEEGCAEU-UHFFFAOYSA-N 419.575 6.014 0 40 HKAB Fc1ccc(-c2nn(-c3cccc(Cl)c3)c(-c3ccc(F)cc3)c2Cl)cc1 2733287 HRLPUQQCVAJTFT-UHFFFAOYSA-N 401.243 6.791 0 40 HKAB CCOc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)c2C(=O)OC)cc1 2889661 JKHAYGJBXQBYRL-UHFFFAOYSA-N 415.898 5.506 0 40 HKAB CCOP(=O)(OCC)[C@@H](NC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 3189550 PZQKZUUIMGRCMY-HXUWFJFHSA-N 404.447 5.698 0 40 HKAB CCC(CC)Nc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 3283678 QAYLYAWOOHQECI-UHFFFAOYSA-N 418.031 6.726 0 40 HKAB Cc1ccc2c(c1)O[C@@](C)(c1ccc(C)cc1OC(=O)c1ccccc1)CC2(C)C 3848538 RPNMXGTZIPURBS-HHHXNRCGSA-N 400.518 6.498 0 40 HKAB biogenic CCn1c(SCc2ccc(C)cc2)nnc1-c1cc2cc3ccccc3nc2s1 4053806 GDPSXFAYUCHSNV-UHFFFAOYSA-N 416.575 6.329 0 40 HKAB O=c1oc2ccccc2c2c1[C@H](c1ccc(Cl)cc1)c1c(ccc3ccccc13)N2 4173629 XAHOLWGYDPFJPH-JOCHJYFZSA-N 409.872 6.837 0 40 HKAB Cc1ccc(NCc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 4608473 PAKLKJQHSBLQSK-LJAQVGFWSA-N 417.556 6.963 0 40 HKAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(Sc4ccc(C)cc4)o3)C2=O)cc1 4689869 LYEFZVXDAUZPNX-DEDYPNTBSA-N 404.491 5.141 0 40 HKAB CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1cccc(OCc2ccccc2)c1 5249880 JCVREKYZODOFJR-MGZHDZRPSA-N 424.544 5.293 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1 5359461 QQBDNARZJCSKIE-ZDUSSCGKSA-N 408.552 5.495 0 40 HKAB Cc1nn2c(NCCCn3ccnc3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 5458732 JGBQVDSUMJYZPS-UHFFFAOYSA-N 422.964 5.354 0 40 HKAB COc1ccc(-c2nc3ccccc3c(C(=O)NCc3ccc(F)cc3)c2C)cc1 5531963 RNFGOUWWXVHNFK-UHFFFAOYSA-N 400.453 5.288 0 40 HKAB Cc1ccc(Nc2nc(-c3ccc(Oc4ccccc4)cc3)c(CC(=O)O)s2)cc1 5614124 WIRBMXVGMYDOKX-UHFFFAOYSA-N 416.502 6.282 0 40 HKAB Cc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCCCC2)cc1 6009402 UGGNCLXQISJLDT-QFIPXVFZSA-N 408.567 6.094 0 40 HKAB O=C(NCC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)Nc1cccc(Cl)c1 6471389 WORALVDVOHZEME-UHFFFAOYSA-N 421.328 5.059 0 40 HKAB COc1ccc(C2=NN(c3nc(-c4ccc(F)cc4)cs3)[C@@H](c3ccco3)C2)cc1 6924951 YCLZDVZOQLJDEJ-OAQYLSRUSA-N 419.481 5.907 0 40 HKAB CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(C)cc3)cc2)c1 6964824 QKZXTIAHXMQUIE-HKWRFOASSA-N 414.530 6.091 0 40 HKAB CCOc1cc(CNC2CCCC2)cc(Br)c1OCc1ccccc1F 8254131 PWFWSHYDWRDHLI-UHFFFAOYSA-N 422.338 5.598 0 40 HKAB O=C1NC2(CCCCC2)Nc2c1sc1nc(-c3cccs3)cc(C(F)(F)F)c21 8386926 SFAAHYTVLCYNDW-UHFFFAOYSA-N 423.485 5.859 0 40 HKAB Cc1cccc(NC(=O)Nc2nc(C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)cs2)c1 9318442 HFJMDSFGUYPTQN-GDBMZVCRSA-N 400.548 5.040 0 40 HKAB CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2C)cc1 9380365 ULUYUWOBUSVTPJ-UHFFFAOYSA-N 412.489 5.082 0 40 HKAB O=C(Nc1nc2c(s1)-c1cccc3cccc-2c13)c1ccc(Br)s1 9636821 HTTDATQOMXAPNY-UHFFFAOYSA-N 413.321 6.020 0 40 HKAB Cc1ccc(Nc2nc(Nc3cccc(F)c3)c3cnn(-c4ccccc4)c3n2)cc1C 9648418 QUNDLBNWGQBJNQ-UHFFFAOYSA-N 424.483 6.059 0 40 HKAB CCOC(=O)c1c(NC(=O)CCc2ccc(C(C)(C)C)cc2)sc2c1CCCC2 10336097 GFJPPQWJXQQIJH-UHFFFAOYSA-N 413.583 5.672 0 40 HKAB O=C(c1cc(=O)c2cc(Cl)ccc2o1)N(Cc1ccc(F)cc1)Cc1ccco1 12062557 MVSHLVXVZUIMGR-UHFFFAOYSA-N 411.816 5.021 0 40 HKAB O=C(Nc1ccc(Br)cc1)C1[C@H]2CC[C@@H]3[C@H](CC[C@@H]12)C3(Cl)Cl 12374568 IHGXONDQOAQJQW-CAPBHKODSA-N 403.147 5.244 0 40 HKAB CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3cccs3)n2)cc1 12442197 MTNJJAKDIBJYNK-UHFFFAOYSA-N 410.524 5.017 0 40 HKAB COc1ccc2cc(CNC(=O)Cn3c(C)cc(-c4csc(C)n4)c3C)ccc2c1 12893417 MSLXIOQUXKDPEM-UHFFFAOYSA-N 419.550 5.015 0 40 HKAB Cc1sc2nc(CSc3ccccc3)nc(Oc3ccc(C(N)=O)cc3)c2c1C 12905896 DSUYUWNVSZZXIF-UHFFFAOYSA-N 421.547 5.492 0 40 HKAB CC(C)C(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1c1ccco1 13126300 CKWABFKXLFEFNO-QHCPKHFHSA-N 424.504 5.466 0 40 HKAB CC1(C)C[C@]2(CCO1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 13617924 NXBFSSGECZATPP-KNQAVFIVSA-N 417.336 5.822 0 40 HKAB O=S(=O)(Cc1ccccc1)Nc1ccccc1SCc1ccc(Cl)cc1 13668325 WSAHPHPPDROYKQ-UHFFFAOYSA-N 403.956 5.574 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1ccc(OCc2ccccc2Cl)cc1 13687479 XGBZCOVYYSMCFF-UHFFFAOYSA-N 416.702 5.934 0 40 HKAB Cc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13776852 LVLIJHPPBVVOJP-HYBUGGRVSA-N 418.880 5.619 0 40 HKAB Fc1ccc(-c2cc(-c3ccc(F)cc3)n(Cc3ccc(Cl)cc3Cl)n2)cc1 13960773 LGTGDTQZHFZCIJ-UHFFFAOYSA-N 415.270 6.850 0 40 HKAB Cc1ccc2c(c1)c1c3n2CCN(S(=O)(=O)c2ccc4ccccc4c2)[C@@H]3CCC1 15108740 IZJMNYHRJMXBQT-XMMPIXPASA-N 416.546 5.185 0 40 HKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC(=O)c4cccs4)cc2)N3)C1 15947627 JBIPRTMVXJKSAM-CWTRNNRKSA-N 424.547 5.583 0 40 HKAB CCOc1ccc(Br)cc1[C@H]1N=C(O)c2c(sc3c2CC[C@H](C)C3)N1 15947686 JHKXLDHGOQRRPD-BTDLBPIBSA-N 421.360 5.463 0 40 HKAB O=C(Oc1ccc(/C=C\[n+]2ccccc2)c(OC(=O)c2ccccc2)c1)c1ccccc1 17376346 SOCWISSUTZYLAR-MNDPQUGUSA-N 422.460 5.040 0 40 HKAB COc1ccccc1CCC(=O)N1CCC[C@@H]1c1ccc(Cc2ccc(F)cc2)cn1 19687938 ZJUXNNGUCPWEMH-XMMPIXPASA-N 418.512 5.116 0 40 HKAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 20138891 AFRNBDPRDGLVCS-UHFFFAOYSA-N 403.865 6.012 0 40 HKAB C[C@H]1CC[C@H](C)[C@H](NC(=O)Nc2cccc(NC(=O)N[C@H]3C[C@H](C)CC[C@@H]3C)c2)C1 20569689 IGGGFPGDTBGUDH-DMDVSTPWSA-N 414.594 5.579 0 40 HKAB Cc1ccc(-n2nc3ccc(NC(=O)COc4cc(C)ccc4C(C)C)cc3n2)cc1 20610001 OQIUOBWUVROJKF-UHFFFAOYSA-N 414.509 5.178 0 40 HKAB COc1cc2nc(NC(=O)c3ccc(C4SCCS4)cc3)sc2cc1OC 21558887 URLGZARWMJRIAP-UHFFFAOYSA-N 418.565 5.044 0 40 HKAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1cc(Br)ccc1Cl 22088143 XAQFFYKQUXQJQJ-UHFFFAOYSA-N 416.706 5.029 0 40 HKAB COc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3CCCc4ccccc43)cc2)cc1 24833853 CFFNALPPDVUTFN-QHCPKHFHSA-N 400.478 5.006 0 40 HKAB Cc1nn(-c2ccccc2)c2cc(-c3ccccc3)c(-c3nc4ccccc4[nH]3)cc12 27788985 IWSVGZIIEKLUOL-UHFFFAOYSA-N 400.485 6.544 0 40 HKAB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S 35040550 XFQUDTUQKVZTNT-VIZOYTHASA-N 424.330 5.406 0 40 HKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc5nsnc5c4)c3)nc2c1 57313623 YSHNFOCLFRGIOF-UHFFFAOYSA-N 400.463 5.369 0 40 HKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nc2ccc(Cl)cc2s1 57315925 GSRAQWWEXBQAGC-UHFFFAOYSA-N 402.947 6.043 0 40 HKAB Cc1cccc(OCc2nnc(SCc3ccc(Cl)cc3Cl)n2C)c1C 59176368 GFODYBYATFLMHJ-UHFFFAOYSA-N 408.354 5.610 0 40 HKAB CCOCCCn1c(SCc2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O 67259157 RPYFHXFGASJBIE-UHFFFAOYSA-N 410.583 5.413 0 40 HKAB O=C(Cc1ccc(C(F)(F)F)cc1)N1CCCC[C@@H]1c1nc2ccccc2s1 69653530 TUPIFMUJZQPAIU-QGZVFWFLSA-N 404.457 5.611 0 40 HKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccccc2C)cc1 71328026 XPVSXURODHGVTM-UHFFFAOYSA-N 423.582 5.483 0 40 HKAB Cc1cc(Br)c(NC(=O)N[C@H](CCCO)c2ccccc2)cc1Cl 95943823 BUGHPYZGTJFKDS-MRXNPFEDSA-N 411.727 5.046 0 40 HKAB Cc1c(-c2nnc3sc(Cc4cccc(C(F)(F)F)c4)nn23)oc2ccccc12 96194252 ZTHPNEORHWYQGJ-UHFFFAOYSA-N 414.412 5.517 0 40 HKAB Cc1noc2c1[C@@H](c1ccc(Cl)c(F)c1)C1=C(O)C[C@H](c3ccc(O)cc3)CC1=N2 102735473 AKJBCOQULQVICZ-SPLOXXLWSA-N 424.859 6.089 0 40 HKAB COc1ccc(NC2=NC(=O)S/C2=C/c2cccc(OCc3ccccn3)c2)cc1 103502564 XBVLKCKZTWZBGC-KGENOOAVSA-N 417.490 5.388 0 40 HKAB CCCCCC[C@H](O)C/C=C/CCCCCC/C(C(=O)OC)=C(\O)C(=O)OCC 104284035 UHLSVUAQNIGZDA-JSECSXMSSA-N 412.567 5.153 0 40 HKAB Fc1ccc(NCc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1Cl 107031381 COHOLCDGSGFQLY-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)s2)c1 195530140 CDTDYTIROYTOCX-JYYAWHABSA-N 404.605 5.012 0 40 HKAB C[C@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc(C(C)(C)C)cc1 219680977 INRCXTOYQFPIOD-LSDHHAIUSA-N 404.348 5.391 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COCc1ccccc1 224753429 GISUESIRUNJPKJ-OAQYLSRUSA-N 417.549 5.553 0 40 HKAB Cc1ccc(C)c([C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)c1 225701198 WGVDBBMONSXJHD-MIDMBNTASA-N 418.562 5.322 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1Br 226287864 ZNHIMTOQOTXFHS-UHFFFAOYSA-N 421.294 5.170 0 40 HKAB CCCCc1ccc(C[C@]2(C)CCc3cccc(-c4ccc(C(=O)O)cc4)c3O2)cc1 257341611 ZLBJCKZZWCXFOF-NDEPHWFRSA-N 414.545 6.721 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260818175 WQTXITUSWDIYKN-OFVILXPXSA-N 418.622 5.501 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1 408621944 NFDRNGUDKIDTMC-UHFFFAOYSA-N 400.478 6.153 0 40 HKAB CCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)C(=O)O2)cc1 409008892 PDOCQPQYPYNCTB-JLPGSUDCSA-N 413.473 5.317 0 40 HKAB Cc1cccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)c1 409123328 GEWLIQISMJUQIE-OYRJNNPGSA-N 408.545 6.544 0 40 HKAB Cc1ccc([C@@H](C)N(C)C(=O)NCc2cccc(Cn3cnc4ccccc43)c2)cc1 502288752 BMOCPDTYCNVLRX-HXUWFJFHSA-N 412.537 5.296 0 40 HKAB CSCC[C@@H](NC(=O)C[C@H](c1ccsc1)n1cccc1)c1nc2ccccc2[nH]1 575443376 RQIZBUKDSBDOPS-WOJBJXKFSA-N 424.595 5.016 0 40 HKAB COc1ccc(C(=O)N(Cc2ccco2)c2nc(-c3ccc(OC)cc3)cs2)cc1 929175 GTOJDILGBPKJFL-UHFFFAOYSA-N 420.490 5.267 0 40 HKAB Cc1oc2cc(OCC(=O)c3ccc(F)cc3)ccc2c(=O)c1-c1ccc(Cl)cc1 1447918 YOTLRFVRWWJGAA-UHFFFAOYSA-N 422.839 5.823 0 40 HKAB biogenic Cc1ccc(NC(=O)CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 1517323 NUGNDOHACVNURN-UHFFFAOYSA-N 420.896 5.237 0 40 HKAB CC1CCN(c2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CCCC4)CC1 1768804 GELSFKULIMYRPA-UHFFFAOYSA-N 414.578 6.022 0 40 HKAB C1=C([C@@H]2CCCc3cc4c([n+](-c5ccccc5)c32)[C@H](C2=CCCCC2)CCC4)CCCC1 2193446 HAFKOYPGVUSKOM-VMPREFPWSA-N 424.652 7.804 0 40 HKAB COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]2)cc1O 2310601 JVEQTLYZQLPHNI-UHFFFAOYSA-N 411.288 6.432 0 40 HKAB O=c1nc(SCc2ccc(F)cc2)[nH]c2scc(-c3ccc4c(c3)CCCC4)c12 2614427 UDIBGSOAOKVOEG-UHFFFAOYSA-N 422.550 5.962 0 40 HKAB CCCCCSc1nnc2c(n1)O[C@@H](/C=C/c1cccs1)Nc1ccccc1-2 2742851 LQTNEDVDHNEAQW-DXRVJIQQSA-N 410.568 5.726 0 40 HKAB CC(C)Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 2767710 HAZSMJVNFSBJCA-UHFFFAOYSA-N 424.500 6.081 0 40 HKAB Cc1ccccc1-c1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1 2950444 XJJZRDDZCRVUTK-UHFFFAOYSA-N 410.886 5.383 0 40 HKAB O=c1c2ccccc2nc(SCc2ccccc2Cl)n1CCc1ccccc1 2970149 QHYYEMYZRDQVLP-UHFFFAOYSA-N 406.938 5.585 0 40 HKAB COc1cc(Br)c(OC)c([C@@H]2CC(=O)Nc3c2ccc2ccccc32)c1 3073766 MDOPVHSMAAINEZ-MRXNPFEDSA-N 412.283 5.094 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(C)n1Cc1ccccc1 3332577 WIKRJADZIGYGRB-IRXDYDNUSA-N 408.571 5.268 0 40 HKAB Cc1cc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)ccc1Br 3360029 BMHVKFLLSLLXON-UHFFFAOYSA-N 404.348 5.853 0 40 HKAB COc1ccc(C(C)=O)cc1C[C@H](C(=O)c1ccc(C2CCCCC2)cc1)N(C)C 3412788 ZABYQJCDTRKVMN-XMMPIXPASA-N 407.554 5.301 0 40 HKAB CC(C)c1ccc(-c2csc(NC(=O)c3ccc(Br)cc3)n2)cc1 4069975 FXPKOFMMNSYXEY-UHFFFAOYSA-N 401.329 5.948 0 40 HKAB CCOC(=O)c1c(NC(=O)Cc2cccc3ccccc23)sc2c1CCCCC2 4134792 QFHFYNITYMULNO-UHFFFAOYSA-N 407.535 5.528 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 4523651 YLKOCKVHJINQCO-QKKBWIMNSA-N 424.541 6.152 0 40 HKAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1ccccc1 4663944 NUOWASQJCKMSKG-UHFFFAOYSA-N 418.518 5.118 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc3c(C(=O)O)c(C)oc3c3ccccc23)c(C)c1 5234929 HHFRQSJMXZLJJV-UHFFFAOYSA-N 409.463 5.010 0 40 HKAB Cc1ccc(Cn2c([C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)nc3ccccc32)cc1 5235918 HPMUMCBIQCXJDL-JOCHJYFZSA-N 409.533 5.530 0 40 HKAB Cc1cc(C)c2[nH]c3nc(SCC(=O)Nc4cccc5ccccc45)nnc3c2c1 5442330 NIGAHENZAMVYCU-UHFFFAOYSA-N 413.506 5.007 0 40 HKAB Cc1ccccc1CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 5477785 YNFJKLOTJINMFR-UHFFFAOYSA-N 413.590 6.833 0 40 HKAB CCN(CC)[P@@]1(=Nc2ccccc2)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1C 5568045 MBSWVNAXEMQASO-NTNWNDHJSA-N 421.529 6.262 0 40 HKAB CCCCC(=O)NC(=S)Nc1cccc(-c2nc3cc([C@H](C)CC)ccc3o2)c1 6240665 OMZARZDPASBJHA-OAHLLOKOSA-N 409.555 6.012 0 40 HKAB COc1cc(OC)c(C(C)=O)cc1COc1ccc(Cl)cc1C1CCCCC1 6653063 FGXCCXHABNQVTM-UHFFFAOYSA-N 402.918 6.187 0 40 HKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)CSc1ccc(Cl)cc1 6721271 AWIPXDUEDCQWPV-UHFFFAOYSA-N 409.898 5.582 0 40 HKAB Cc1cccc(-n2c(SCC(=O)c3ccc[nH]3)nnc2-c2ccc(Cl)cc2)c1 6830369 KTGVRSNXJUHKOO-UHFFFAOYSA-N 408.914 5.199 0 40 HKAB C=CCOc1ccccc1/C=C1/SC(Nc2cccc(Cl)c2Cl)=NC1=O 6856128 AAEVFNUDGUTZSI-LFIBNONCSA-N 405.306 5.641 0 40 HKAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1C(F)(F)F 6887095 MDPQVLGUPLNHFV-UHFFFAOYSA-N 415.839 5.057 0 40 HKAB Cc1cc(C)c(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(C)c1 6902850 RHNXWGDDYKXNLF-UHFFFAOYSA-N 414.534 5.230 0 40 HKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c(C)c1 7343596 MYGSYPJDLMHNHJ-HXUWFJFHSA-N 413.496 5.361 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3cccc(SC(C)C)c3)n2)c(OC)c1 7597918 IEFCKWYSBAPQKY-UHFFFAOYSA-N 414.552 5.580 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 7719411 LPFUYWZNXSHUDB-UHFFFAOYSA-N 400.887 5.305 0 40 HKAB C[C@@H](NCc1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccccc1 8535298 OUXYHXJCLNYRGR-LJQANCHMSA-N 401.937 6.923 0 40 HKAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 8816051 CETRQTWXVNSAJA-OMQIJLIKSA-N 424.585 5.492 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(Cc1cccnc1)C3=O 8846261 IJBSQLIUTWYOBI-DEOSSOPVSA-N 424.500 5.365 0 40 HKAB O=C(COc1ccccc1Cl)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 10692448 DJMPJAPXRULWAE-IBGZPJMESA-N 404.897 5.148 0 40 HKAB Cc1noc(C)c1COc1ccccc1C(=O)OCc1cc2ccccc2nc1Cl 11205317 CWMLLCCOHJBCGH-UHFFFAOYSA-N 422.868 5.429 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)CCc1ncc(-c2ccccc2F)o1 12278529 NKFODADZZIFUEI-OAHLLOKOSA-N 420.440 5.018 0 40 HKAB O=C(c1ccco1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 12350063 SBJLBYZBOIPTTD-DTKUHUSLSA-N 418.443 5.995 0 40 HKAB O=C(CCCSc1nc2ccccc2[nH]1)NC(c1ccccc1)c1ccccc1 12486562 BCMYMRRKOJZLCJ-UHFFFAOYSA-N 401.535 5.341 0 40 HKAB O=C(Cc1csc(-c2ccccn2)n1)Nc1nc2c(ccc3ccccc32)s1 12852838 KUKHVEWOKHXQFU-UHFFFAOYSA-N 402.504 5.149 0 40 HKAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1 13010644 WTNVOYUFTREGDF-LLVKDONJSA-N 410.392 5.619 0 40 HKAB CN(Cc1c(F)cccc1Cl)C(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 13109491 VWBVWHLVBNLTBT-GOOCMWNKSA-N 414.011 5.440 0 40 HKAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 13514197 HWEBPLPIXTYAGO-UHFFFAOYSA-N 422.510 5.034 0 40 HKAB CCCC[C@@H](CC)C(=O)Oc1cc(-c2ccccc2)nn1-c1nc2ccccc2[nH]1 13611081 XYJHNPRQVRDXGY-QGZVFWFLSA-N 402.498 5.537 0 40 HKAB O=C(NCCSCc1ccccc1Cl)c1ccccc1OCc1ccccc1 13686993 KHLVGYSSUOITKU-UHFFFAOYSA-N 411.954 5.582 0 40 HKAB O=C1S/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1 13880726 INGGCFVOTVHJTJ-QGOAFFKASA-N 414.408 5.737 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 13946057 HAPNLLLATAGQKJ-UHFFFAOYSA-N 416.546 6.522 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2F)cc1OC 15008095 HLZGLUYXROEPEP-UHFFFAOYSA-N 416.674 5.291 0 40 HKAB Clc1ccccc1COc1ccc2ccccc2c1CNCCc1ccccc1 16479311 QGIQATFBECZMBF-UHFFFAOYSA-N 401.937 6.405 0 40 HKAB COc1c(C)cccc1C(=O)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C 17089940 AXKICQQPBVLFBO-UHFFFAOYSA-N 414.509 5.422 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 17094128 YVEKYQRWTNLSNP-UHFFFAOYSA-N 424.859 6.083 0 40 HKAB O=C(Nc1cccc(CNCc2cccc(C(F)(F)F)c2)c1)c1ccccc1Cl 17311659 WFLHEEJCEBQSPS-UHFFFAOYSA-N 418.846 5.901 0 40 HKAB Cc1nc([C@]2(O)CCCN(C3CCCCC3)CC2)sc1CCOc1ccccc1 19705419 DQXHCMOFKDFXHZ-DEOSSOPVSA-N 414.615 5.079 0 40 HKAB Cn1c(C(=O)NCc2ccccn2)c(-c2ccc(Cl)cc2)c2cc(Cl)ccc21 19894321 UVFQDEPLMUCMHK-UHFFFAOYSA-N 410.304 5.477 0 40 HKAB Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4)c3)oc2cc1C 21578901 MRHFNDQSJXPXRM-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(Cl)c1Cl 21580311 BEWPXIZWCYDBHM-UHFFFAOYSA-N 412.276 5.798 0 40 HKAB O=C(Nc1cccc(N2CCCCC2=O)c1)c1cc(-c2ccncc2)nc2ccccc12 24940299 IVLADSIKRBHWHZ-UHFFFAOYSA-N 422.488 5.066 0 40 HKAB CCOc1ccccc1NC(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 27971983 STLIUWQLQVUZTH-UHFFFAOYSA-N 413.477 5.238 0 40 HKAB Cc1c(C(=O)Nc2cc(-c3ccc(Br)cc3)no2)oc2ccc(F)cc12 28286888 NDFZMLUHLARXIC-UHFFFAOYSA-N 415.218 5.550 0 40 HKAB CC(C)=CCC/C(C)=C/CC/C(C)=C\CC/C=C(\C)CC/C=C(\C)CCC=C(C)C 32785909 YYGNTYWPHWGJRM-GQVJHIFRSA-N 410.730 10.605 0 40 HKAB in-vivo CCc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 38754403 ZQKMHEPIBSHAKG-OALUTQOASA-N 416.521 5.146 0 40 HKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccc(Cl)cc2)cc1 40485339 PYWXWWDILDIPTA-JOCHJYFZSA-N 424.327 6.355 0 40 HKAB CCc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc1 41076894 ADALLNZOXWEXJI-UHFFFAOYSA-N 401.535 5.378 0 40 HKAB Clc1cccc(-n2c(-c3ccc(Cl)c(Cl)c3)cnc2SC2CCCC2)c1 44087387 YSWXUPUBZUBIFJ-UHFFFAOYSA-N 423.796 7.534 0 40 HKAB Cc1ccc(-c2c(C(=O)NC[C@H]3CCCO3)sc3c2cnc2ccccc23)cc1C 45943851 AIHQQWLWUKZCFG-GOSISDBHSA-N 416.546 5.642 0 40 HKAB Cc1ccc2nc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)oc2c1 59477558 AUXROYKNZGYMSB-NTCAYCPXSA-N 420.468 6.715 0 40 HKAB O=C(c1cnc2ccc(F)cc2c1Nc1ccc(F)c(Cl)c1)N1CCSCC1 64471926 NBRVMCAIVRZMMS-UHFFFAOYSA-N 419.884 5.099 0 40 HKAB COc1cccc(-n2cc(-c3nc(-c4ccc(C)c(C)c4)no3)c3ccccc3c2=O)c1 67245204 QQBYITLPYBUBPK-UHFFFAOYSA-N 423.472 5.333 0 40 HKAB COc1ccc2c(c1)CN(C(=O)CCC1CCC(Cc3ccccc3)CC1)CCS2 77301564 WERARKTYJZLEHX-UHFFFAOYSA-N 423.622 5.959 0 40 HKAB in-vitro O=C(CNc1cccc(C(F)(F)F)c1)N1CCC[C@@H]1c1nc2ccccc2s1 84600575 IKRBOBGTWUKVLK-MRXNPFEDSA-N 405.445 5.091 0 40 HKAB Cc1ccc(N2C(=O)/C(=C/Nc3ccc(C)c(Cl)c3)c3ccccc3C2=O)cc1C 103005014 URLUSCZUQCSNCF-HYARGMPZSA-N 416.908 5.905 0 40 HKAB COc1cccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccc(F)cc4)CC(O)=C32)c1 103873956 NEQVDAFUFPKRRR-QYBDOPJKSA-N 414.480 6.463 0 40 HKAB Brc1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1 113469473 CXUDTGWLYIMSKM-UHFFFAOYSA-N 412.286 7.446 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1C1CCCCC1 223082107 DAJCWOSVQDGLGR-IRXDYDNUSA-N 422.417 5.211 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 223529424 UQHNDLTWONMNNM-DHIUTWEWSA-N 417.549 6.196 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 224253153 LOCSQGZUUDSFRQ-IBGZPJMESA-N 419.506 5.163 0 40 HKAB COc1ccc(OCc2cc(C(=O)Nc3cccc(Cl)c3C)ccc2OC)cc1 224265233 NYOJBKVSCKDXQP-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)c1 224320033 RFBTYOSORSHQST-LOSJGSFVSA-N 424.573 5.666 0 40 HKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C1CC1 224425383 RXKWETVMYAKICF-FCHUYYIVSA-N 406.530 5.151 0 40 HKAB CCOc1ccc(C(=O)NC2CCCC2)cc1COc1ccc(-c2ccccc2)cc1 224551224 HPDAOBJKPFXXFT-UHFFFAOYSA-N 415.533 6.004 0 40 HKAB Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 225026223 GFBFCQCBJVDCIT-YADHBBJMSA-N 407.514 5.396 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2CCS/C2=C/c2csc(-c3cccnc3)n2)cc1 225261862 HAVLBRNOSPDIBO-DEDYPNTBSA-N 421.591 5.690 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)cc1 225267756 OAZGIBSZDKPZNZ-UHFFFAOYSA-N 404.857 5.094 0 40 HKAB CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c2ccccc2O1 225331934 FYLHVSPFXDOWDF-AVRDEDQJSA-N 407.554 5.532 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)c1 225637089 IRDFDJOLTQFPMR-LJQANCHMSA-N 422.569 5.587 0 40 HKAB Cc1ccc(-c2c(Br)sc(=Nc3ccccc3)n2-c2ccccc2)cc1 252675742 UXDZCUQVXHLWLV-UHFFFAOYSA-N 421.363 6.509 0 40 HKAB O=C(O)c1cccc(NCc2cccc(OCc3ccc(Br)cc3)c2)c1 408604530 DPYYTFJECDAZJG-UHFFFAOYSA-N 412.283 5.338 0 40 HKAB COc1cccc(Oc2ccc(C(=O)c3ccc(-c4ccc(F)c(Cl)c4)o3)cc2)c1 408618914 IGOFZSXRVNRJHR-UHFFFAOYSA-N 422.839 6.771 0 40 HKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(CC)cc2)cc1 408674879 DOBHROIWDDCBFS-UHFFFAOYSA-N 412.489 5.389 0 40 HKAB CCn1cc(C(=O)Nc2ccccc2Oc2ccccc2)c(=O)c2cc(Cl)ccc21 408713456 ZMRHPVFBWPJUDY-UHFFFAOYSA-N 418.880 5.719 0 40 HKAB Cc1ccc(Cl)cc1NCc1cccc(OCc2ccc(Br)cc2)c1 409120795 UFAKASSMXPDCFN-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)o2)c(C)c1 409169978 SCNDOTMYLSZFJO-UHFFFAOYSA-N 411.527 5.120 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c1 409382263 QNKAPKHUVGLDPA-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Fc1ccc(I)c(Oc2c(F)cc(C(F)(F)F)cc2F)c1 1504250529 ZJDMXOWDBDABET-UHFFFAOYSA-N 418.074 5.520 0 40 HKAB COc1cccc(C(=O)NC(=S)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 724531 PCUMBVLLXOTRMC-UHFFFAOYSA-N 412.898 5.268 0 40 HKAB Cc1ccccc1C(=O)N1CCc2cc(-c3csc(NC4CCCCC4)n3)ccc21 1354405 COKKFFMTIBTFFZ-UHFFFAOYSA-N 417.578 6.066 0 40 HKAB Cc1nc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1cc(Cl)ccc1Cl 1385691 GNZCKIDRWSQRPX-UHFFFAOYSA-N 416.095 5.442 0 40 HKAB CCCN(CCC)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 1814456 WCPOKSUDJYDSEY-UHFFFAOYSA-N 416.594 6.412 0 40 HKAB COc1ccc([C@H]2OC[C@@]3(COC(=O)c4ccccc4)[C@H](C)C=C(C)[C@H]2[C@H]3C)cc1 2126700 VGRINMHUNLQXBU-XMWCPUMHSA-N 406.522 5.458 0 40 HKAB CC[C@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCc4ccco4)c23)CO1 2441967 WCGUVEGNNBRLNG-HXUWFJFHSA-N 403.573 5.638 0 40 HKAB O=C(Nc1ccccc1Sc1ccc(Cl)cc1)c1ccc(OC(F)F)cc1 2735590 FSCQIYGQNMBJMX-UHFFFAOYSA-N 405.853 6.345 0 40 HKAB O=C(NC1CCCCCC1)c1cc(-c2cccc(Br)c2)nc2ccccc12 2742301 KMYBZWTUFGYJGO-UHFFFAOYSA-N 423.354 6.117 0 40 HKAB O=C(OCC(=O)c1cccs1)c1ccc(CSc2ccc(Cl)cc2)cc1 3227644 PQDPMHGQHBGZOK-UHFFFAOYSA-N 402.924 5.734 0 40 HKAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)c1C 3653581 CKEACGABBYNZBH-UHFFFAOYSA-N 413.520 5.042 0 40 HKAB CCC(=O)N(CC[C@@H](c1ccc(C)cc1)[C@H]1CCOC(C)(C)C1)Cc1ccccc1 4028094 NUYXBMLFCDKLOB-DQEYMECFSA-N 407.598 6.113 0 40 HKAB biogenic S=C(Nc1ccc(Br)cc1)N1CCn2cccc2[C@H]1c1ccccc1 4059416 AXSLBLALKSAQHB-LJQANCHMSA-N 412.356 5.053 0 40 HKAB CCOc1ccc(C(c2cn(C)c3ccccc23)c2cn(C)c3ccccc23)cc1C 4151545 VRAJVJMMOKLPOC-UHFFFAOYSA-N 408.545 6.557 0 40 HKAB Cc1ccc2c(c1)C(c1ccc(F)cc1)=NNC(c1ccc(Br)cc1)=N2 4168682 KVDRBAZKTCFWPG-UHFFFAOYSA-N 408.274 5.331 0 40 HKAB CN(C)CCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccccc2)cs1 4188857 MROWGXFQRBZWLF-UHFFFAOYSA-N 421.610 5.706 0 40 HKAB Clc1ccc(N2N=C(/C=C/c3cccs3)C[C@H]2c2cccs2)cc1Cl 4256226 MDZWWCKQJLEFFS-FZMUQLTDSA-N 405.375 7.137 0 40 HKAB CC(C)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 4862911 HCDSGQYVRHRGLU-ZCYQVOJMSA-N 402.925 6.706 0 40 HKAB C[C@@H](NC(=O)/C=C/c1ccco1)c1nc2ccccc2n1Cc1cccc(Cl)c1 4889283 CFIIGTSHGQJHCG-LPQFERQCSA-N 405.885 5.222 0 40 HKAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccccc3[C@H](C)CC)n2)cc1 5180133 UDBLGTPYXOHZEV-HZPDHXFCSA-N 408.571 5.667 0 40 HKAB CCOc1cccc2sc(N(Cc3ccccn3)C(=O)/C=C/c3ccccc3)nc12 5264883 WGUOHMXRCHOIDC-CCEZHUSRSA-N 415.518 5.337 0 40 HKAB CC[C@H]1CCCCN1C[C@H](O)COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 5602945 FQCKFBWOIYBMAE-VXKWHMMOSA-N 422.396 5.725 0 40 HKAB CCCCCC(=O)NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 6245921 IILBALAKGPVFSY-UHFFFAOYSA-N 417.534 6.041 0 40 HKAB CC(=O)Nc1cccc(C2=Nc3ccccc3S[C@H](c3ccccc3Cl)C2)c1 6293865 MQKCDXHGMHZWDI-QHCPKHFHSA-N 406.938 6.656 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=C(c3ccc(Cl)cc3)N2[C@H]1c1ccccc1 6349553 IQGMCEDLAANHFI-FQEVSTJZSA-N 410.926 5.635 0 40 HKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc4ncccc34)o2)cc1C 6546772 JZJKJHINKVSKFF-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB Clc1ccc(OCCOCCN2CCCC[C@@H]2c2cccnc2)c2ccccc12 6719410 XJRGGTBCZSMPKH-HSZRJFAPSA-N 410.945 5.511 0 40 HKAB biogenic COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1 6973829 AHKPKIDPYCEFKL-UHFFFAOYSA-N 423.299 6.470 0 40 HKAB CC(C)(C)c1ccc(/C=C2\CCn3c2nc2sc(-c4ccccc4)cc2c3=O)cc1 7159167 KDBKWEQYMSRVRK-XDJHFCHBSA-N 412.558 6.367 0 40 HKAB C[C@H](Sc1nc2ccc(Cl)cc2[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1 7738200 ALNGEALSYOSMPK-NSHDSACASA-N 414.943 5.459 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc(CSc2cccc3cccnc23)cc1 8306358 VHFPFOGBJGYWGK-UHFFFAOYSA-N 404.922 6.433 0 40 HKAB COc1cc(CNCc2cccs2)cc(Cl)c1OCc1ccccc1Cl 8470435 YVTZWMNXIHDKIH-UHFFFAOYSA-N 408.350 5.932 0 40 HKAB CSc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(NC(C)=O)cc2)cc1 9422889 JNNAIJLCCJQJKQ-QFIPXVFZSA-N 403.507 5.138 0 40 HKAB O=C(c1ccc(-c2ccccc2F)o1)N1CCC[C@H](c2nc3ccccc3s2)C1 9548912 IQEWOGKHDIJEKP-HNNXBMFYSA-N 406.482 5.715 0 40 HKAB Cc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccc(F)cc23)cc1C 9847505 GUAYUDZGGYGIPF-UHFFFAOYSA-N 419.477 5.055 0 40 HKAB Cc1cccc(Cn2c([C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)nc3ccccc32)c1 12539664 QDAOGJPFLZYGNX-OAQYLSRUSA-N 413.496 5.048 0 40 HKAB O=C(Nc1ccccc1)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 12655156 LHLRULOOJGQSRI-UHFFFAOYSA-N 410.905 5.757 0 40 HKAB O=C1CCc2cc(OCC(=O)Nc3ccccc3Oc3ccccc3Cl)ccc2N1 13014536 DJGWGETULGJVQO-UHFFFAOYSA-N 422.868 5.035 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 13684493 BIGTXZSZQBONFX-LJQANCHMSA-N 416.521 5.319 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H](Sc1cc(C)nc(C(C)C)n1)c1ccccc1 16453936 YKHGNOIVHIPJST-JOCHJYFZSA-N 421.566 5.698 0 40 HKAB CCOc1ccc([C@H](CNC(=O)c2ccccc2)c2c[nH]c3ccccc23)cc1OC 18136629 UVCVDKPRUSJHPG-NRFANRHFSA-N 414.505 5.137 0 40 HKAB O=S(=O)(Nc1cccc(Br)c1)c1ccc(Oc2ccccc2)cc1 20107777 OKBMDQMHGPBMBO-UHFFFAOYSA-N 404.285 5.042 0 40 HKAB Cc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 20151068 CJTRLJCVRPFOJN-CSKARUKUSA-N 415.367 5.624 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Nc1ccc(F)c(Cl)c1 22072575 GVLSEYTXNREWPI-UHFFFAOYSA-N 410.663 6.177 0 40 HKAB CCc1n[nH]c(=S)n1NCc1c(OCc2ccccc2Cl)ccc2ccccc12 22110389 SOKBYCXXSLKMIO-UHFFFAOYSA-N 424.957 5.632 0 40 HKAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)Nc1ccc(Cl)cc1 22907654 XPZIIYXZNNHRDR-HXUWFJFHSA-N 411.958 5.323 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)oc2c1 27580557 VCXVLIYBYZLENV-OAQYLSRUSA-N 424.972 5.968 0 40 HKAB CC1(C)C[C@H](N(CC[C@H](c2ccco2)C(C)(C)C)C(=O)c2cccs2)CCO1 32102105 AUESBSUVHLLSKA-QZTJIDSGSA-N 403.588 5.961 0 40 HKAB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1c[nH]c2ccccc12 32892828 UPTDOCHAGWBIOA-UHFFFAOYSA-N 406.489 5.010 0 40 HKAB COc1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1NC(=O)c1cccc(F)c1 32931496 STOPAEFFENAPMD-MRXNPFEDSA-N 406.457 5.219 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)c1 33170765 KUBCPVFXHJJCPP-UHFFFAOYSA-N 402.498 5.128 0 40 HKAB CC(=O)OC[C@H](OC(C)=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C 33950267 RZMRLFZKLOVKNA-QBTNRFHPSA-N 404.591 5.530 0 40 HKAB Clc1ccc(-c2cnc(SCc3ccccc3)n2-c2ccccc2)cc1Cl 44086116 ASFFZXOLDCCNDI-UHFFFAOYSA-N 411.357 7.138 0 40 HKAB Cc1cccc(C)c1NC(=O)CSC1=NC2(CCCCC2)N=C1c1cccs1 46022404 MAIRASDBKOCRMR-UHFFFAOYSA-N 411.596 5.598 0 40 HKAB COc1ccc(CN(Cc2ccncc2)Cc2cc3ccc(C)cc3nc2OC)cc1 57797054 NBAKRWUZVLBAHV-UHFFFAOYSA-N 413.521 5.158 0 40 HKAB CC(C)(C(=O)N1CCC[C@H]1c1ccc(Nc2ccccn2)cn1)c1ccccc1F 72353231 XAIMMMVLTWTENV-NRFANRHFSA-N 404.489 5.001 0 40 HKAB C[C@@H](C(=O)N1CCC[C@@H](c2[nH]c3ccccc3c2-c2ccncc2)C1)c1ccccc1 72396379 GIHZZZBIKKNKLD-DENIHFKCSA-N 409.533 5.740 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccn(-c3ccc4ccc(-c5cccc(F)c5)cn34)n2)c1 96038123 FPRVYPCENMIYPB-UHFFFAOYSA-N 424.479 5.800 0 40 HKAB CC(C)CCC[C@H](C)N1CC(O)=C(c2nc(-c3ccc(Cl)cc3)cs2)C1=N 102043855 ZLTIBVMQDZNGPK-AWEZNQCLSA-N 403.979 6.240 0 40 HKAB COc1ccc([C@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@@H]2C3(Cl)Cl)cc1 103110935 PRQMJZPVAVTUSA-FSSWDIPSSA-N 415.291 6.058 0 40 HKAB Fc1ccccc1COc1ccc(Br)cc1CNc1ccc(Cl)cc1 107027304 XHFAVDRGUGMLPI-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1cccc2ccccc12 139030834 QODLTOMSIXBRFE-CYBMUJFWSA-N 418.276 5.096 0 40 HKAB COc1cc(OC)cc(OCC(=O)Nc2ccc(CSc3ccccc3)cc2)c1 218888495 JOVFLBSMRPRTQQ-UHFFFAOYSA-N 409.507 5.014 0 40 HKAB Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 223106549 NCGLIUOXJDVBSD-DNQXCXABSA-N 416.594 5.486 0 40 HKAB CC[C@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2 223125071 GBMVMMUETSWJEA-QFIPXVFZSA-N 402.003 6.359 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccccc2CCc2ccccc2)cc1C(C)C 223331090 BEYFUMMWPIYYQZ-OAQYLSRUSA-N 415.577 6.403 0 40 HKAB O=C(NCCOc1ccccc1Cl)/C(=C/c1ccccc1Cl)c1ccccc1 223422723 AMHPAOVRJDMQTK-KNTRCKAVSA-N 412.316 5.729 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccccc1C(C)(C)C 224168255 CTLDUEXOCSFMBN-UHFFFAOYSA-N 417.549 6.441 0 40 HKAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1cc(C)cc(C)c1 224190268 TZLRKLDTEBNWNB-UHFFFAOYSA-N 409.913 5.474 0 40 HKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1Cl 224530280 SZZNPLHUXSEEIO-UHFFFAOYSA-N 415.902 5.093 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3SC)o2)c1 224904066 UCJPNNKYCGVDOE-UHFFFAOYSA-N 416.502 5.991 0 40 HKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 225098638 CGNLPAYDAJMXBP-VWLOTQADSA-N 420.597 5.102 0 40 HKAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)c1 225536317 JWMBGCORALREQE-LJQANCHMSA-N 406.620 6.643 0 40 HKAB C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 225661532 GNWWDWDCGOARPK-LJQANCHMSA-N 423.626 5.356 0 40 HKAB FC(F)(F)c1nnc2sc(-c3ccc(OCc4ccccc4Cl)cc3)nn12 226298579 RDOKVYHIEQEQTB-UHFFFAOYSA-N 410.808 5.104 0 40 HKAB CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1 226327354 ZUHDAHXFBYKXEM-UHFFFAOYSA-N 403.689 5.801 0 40 HKAB COc1ccc(OC)c(CCc2nc(C(C)C)c(-c3ccccc3F)cc2C(=O)O)c1 257332342 XWWSDANHHOUWAZ-UHFFFAOYSA-N 423.484 5.512 0 40 HKAB Fc1cccc(COc2ccc(CNc3ccc(Cl)cc3Cl)cc2Cl)c1 408609161 OKANOSRIDAPITA-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)c1 408696775 BSIMCZHQXZLZDH-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(F)cc3)n2)c1 408699083 RJBVJYDODJVGFW-UHFFFAOYSA-N 404.420 5.082 0 40 HKAB CCOc1ccc(-c2nc(Nc3cccc4ccccc34)sc2CC(=O)O)cc1 408889197 FMHWUAPHWPILEZ-UHFFFAOYSA-N 404.491 5.733 0 40 HKAB O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)NC(=S)N1C1CCCCC1 409081777 KZYKPQWLOSPSGV-BOPFTXTBSA-N 421.349 5.644 0 40 HKAB Cc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1C 409129433 GQFJIUMIOGECQQ-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB CCc1ccc(NC(=S)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCC2)cc1 928175 VCTDTHAPGRHBKZ-UHFFFAOYSA-N 419.594 5.541 0 40 HKAB Cc1ccccc1NC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@@H](C)C3 1377277 TUGOIKIJVSEEGR-CYBMUJFWSA-N 423.607 5.733 0 40 HKAB COc1ccc(-c2cc(C(=O)N3CCc4ccccc43)c3ccccc3n2)c(OC)c1 1466491 NQJOCLYNNJSEIF-UHFFFAOYSA-N 410.473 5.122 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)cc2Cl)N3)C1 2062239 WNBSXIRSIZSRTA-BMLIUANNSA-N 409.382 6.060 0 40 HKAB COC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc2c1CC[C@H](C(C)(C)C)C2 2087945 BOAYTDQQRLHZTB-SFHVURJKSA-N 421.562 6.091 0 40 HKAB CCCCC(=O)N(c1cccc(Cl)c1)c1nc(-c2ccc(C)cc2)c(CC)s1 2170742 GKVBZAPCXQTNNE-UHFFFAOYSA-N 412.986 7.189 0 40 HKAB CCOc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(Cl)cccc23)cc1 2176764 HJYWUGADDGJLLU-UHFFFAOYSA-N 402.881 6.206 0 40 HKAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(SCc4ccccc4F)c23)CO1 2210776 KXYDQIPKCWPCMY-HXUWFJFHSA-N 420.600 6.086 0 40 HKAB CCCSc1nnc2c3c4c(sc3nc(-c3ccccc3Cl)n12)CCCC4 2235238 GDHJABGQQFTBOY-UHFFFAOYSA-N 414.987 6.040 0 40 HKAB CC(C)CCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 2262910 PMSBIDFFJOZBOX-UHFFFAOYSA-N 422.554 5.809 0 40 HKAB COC(=O)c1ccc(-c2ncc(-c3ccc(-c4ccccc4)cc3)o2)cc1C(=O)OC 2274398 CCAPLQBYHSQJGV-UHFFFAOYSA-N 413.429 5.249 0 40 HKAB O=C1CS[C@@H](c2cccc(Br)c2)N1c1cccc(C(F)(F)F)c1 2947448 ATAYLHXROYPCGI-HNNXBMFYSA-N 402.235 5.247 0 40 HKAB O=C(CSc1nnc(Nc2ccc(SC(F)F)cc2)s1)c1cccs1 3223736 XRFHLNONXFXWCE-UHFFFAOYSA-N 415.537 5.633 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CSc3nc4ccccc4o3)ccc21 3291658 UMKUKCUHJPZXCE-UHFFFAOYSA-N 401.491 5.686 0 40 HKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1OCc1ccccc1 3297987 AOQQLZSZVYMHKT-MHZLTWQESA-N 422.480 6.047 0 40 HKAB CCOC(=O)c1c(NC(=O)CN2CCCC[C@@H]2C)sc(C)c1-c1ccc(C)cc1 3341607 PMDSYYCUGLPPOB-INIZCTEOSA-N 414.571 5.022 0 40 HKAB Cc1ccc(NC(=O)CSc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 3581521 WUNWTIGHOPJEQK-UHFFFAOYSA-N 404.510 5.868 0 40 HKAB CCC(=O)Nc1ccc2nc(SC(c3ccccc3)c3ccccc3)sc2c1 3671035 AEZXYJZBHGFUHV-UHFFFAOYSA-N 404.560 6.527 0 40 HKAB Cc1ccc(-n2nc3c(c2NC(=O)CC24CC5CC(CC(C5)C2)C4)CSC3)c(C)c1 4176205 GKERDQZALIYITJ-UHFFFAOYSA-N 421.610 5.781 0 40 HKAB O=C(Nc1cc2c3c(c1)[C@H]1CCC[C@H]1CN3C[C@H]1CCC[C@H]21)c1ccc(Cl)cc1 4181047 XEGWPHFMPASJSA-JWWGGVBKSA-N 406.957 6.193 0 40 HKAB Cc1ccc(C(C)C)cc1CN1C(=O)[C@](O)(c2c(C)[nH]c3ccccc23)c2ccccc21 4554138 NJYSHXIBXIVBKL-MUUNZHRXSA-N 424.544 5.691 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)c1 4554216 RTNFEOBVEIIHLV-UHFFFAOYSA-N 406.938 6.794 0 40 HKAB CCOc1ccc2ccccc2c1[C@@H]1N=C(O)c2c(sc3c2CCN(CC)C3)N1 4556168 SOWBQPIMAGQQEH-OAQYLSRUSA-N 407.539 5.107 0 40 HKAB C[C@@H](c1ccccc1)c1cc([C@H](C)c2ccccc2)cc([C@H](C)c2ccccc2)c1O 4977572 BYLSIPUARIZAHZ-ZLNRFVROSA-N 406.569 7.848 0 40 HKAB Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1 5031517 PMYCJWRGGURLRI-CCEZHUSRSA-N 411.892 5.999 0 40 HKAB COc1ccccc1[C@H](CC(=O)Nc1cccc(C)c1)c1ccc(OC(C)C)cc1 5302774 VBXCVPQFJSOVGI-XMMPIXPASA-N 403.522 5.952 0 40 HKAB COc1ccc(CNS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1 5498472 SPHWOMRDICMVMO-UHFFFAOYSA-N 403.588 5.544 0 40 HKAB COc1cccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)c1 5614115 UBDXWRHUMWVRSG-UHFFFAOYSA-N 420.896 6.533 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 5937572 UHWUQQLTFPCMKG-UHFFFAOYSA-N 415.880 5.766 0 40 HKAB O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)c1ccc(OC(F)F)cc1 5938469 FSGBONKBBBDOKB-SFHVURJKSA-N 412.461 5.393 0 40 HKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccc(Cl)cc1 6315781 HQTJZOHHITURMK-UHFFFAOYSA-N 404.922 6.372 0 40 HKAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc2c(c1)CCCC2 6531936 BYVQGMLGSSVHMQ-UHFFFAOYSA-N 403.551 5.058 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2C)cc1 6553293 XJDUWZSMTZLWQO-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB Cc1cc2oc(=O)cc(COC(=O)c3cc4c(s3)CCCCC4)c2cc1Cl 6561029 ZINPFADZOMRQIU-UHFFFAOYSA-N 402.899 5.442 0 40 HKAB COc1cccc(-c2c(NC(=O)C3CCCCC3)oc3ccc(Cl)cc3c2=O)c1 6815107 PLEKCAUSGBVEPJ-UHFFFAOYSA-N 411.885 5.641 0 40 HKAB COc1ccc(CN[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 7388041 SVANLYNFGVSHFP-NRFANRHFSA-N 414.427 5.184 0 40 HKAB O=C(c1ccc2ccccc2c1)N1CCN=C1SCc1cccc(C(F)(F)F)c1 8382146 WMARBHJYXGQOBP-UHFFFAOYSA-N 414.452 5.604 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccccc4)ccc3o2)cc1OC 8903903 NYZZJBLGFUYAFY-MDWZMJQESA-N 400.434 5.164 0 40 HKAB Cc1ccc(C)n1-c1nc2ccc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc2s1 8992060 VKQUIFGZSYDHHM-HOYKHHGWSA-N 407.583 5.745 0 40 HKAB CCc1nn2c(O)cc(CSc3ccc(Cl)cc3)nc2c1-c1ccc(F)cc1 9052649 NMSKUGRBXGFTCH-UHFFFAOYSA-N 413.905 5.749 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(Cc2ccc(F)cc2)CC1 9063602 DXIJCIMLUYXPEY-UHFFFAOYSA-N 414.830 5.349 0 40 HKAB Cc1ccc(CSc2ncc(Cl)c(C(=O)Nc3cccc(Cl)c3)n2)cc1 9305725 BZAASBXIHXYITJ-UHFFFAOYSA-N 404.322 5.636 0 40 HKAB CCOc1ccc(Nc2nc(NC3CCCC3)nc3c2cnn3-c2ccccc2)cc1 9573570 FPKCONSZBJCVPZ-UHFFFAOYSA-N 414.513 5.312 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 10128854 OABYEZUZTDSXEP-UHFFFAOYSA-N 421.905 5.844 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C(C)C)c2)cc1 10328081 HCRMRICAXQHDIE-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10328256 YNUOVRJEEKEABC-UHFFFAOYSA-N 422.550 5.227 0 40 HKAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCCC3)c1ccc(-c2ccccc2)cc1 11865384 RXJCOYIFGULSHK-UHFFFAOYSA-N 424.496 5.991 0 40 HKAB CSc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1 12976097 NMOIZZGXJGJPOF-HXUWFJFHSA-N 400.594 5.118 0 40 HKAB Fc1ccc(C2=NN(c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3Cl)C2)cc1 13424670 BPOYZQBFRCVADD-OAQYLSRUSA-N 419.714 7.142 0 40 HKAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 13710023 OWURQYCMMZASEA-AWEZNQCLSA-N 414.288 5.630 0 40 HKAB CC(C)C[C@@H](NC(=O)Cn1c(-c2ccc(Cl)cc2)n[nH]c1=S)c1ccccc1 14197332 FZNCRLOJBIHZEX-GOSISDBHSA-N 414.962 5.165 0 40 HKAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4cccc5ccccc45)cc23)cc1 16840607 BTZZQQYBWQTMMW-UHFFFAOYSA-N 424.529 5.589 0 40 HKAB CCOc1cc2c(cc1CN[C@H](Cc1ccsc1)c1nc(C)cs1)O[C@@H](C)C2 19532535 NSFQGPGVARSDJG-HNAYVOBHSA-N 414.596 5.309 0 40 HKAB COc1ccc2nc(CN3CCCC[C@@H]3c3nnc(-c4cccs4)o3)ccc2c1 19563692 YQHVKRRNQXJOSS-LJQANCHMSA-N 406.511 5.082 0 40 HKAB COc1cccc(CC(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c1 19691481 YWGIKBMJMZHPFG-DEOSSOPVSA-N 404.485 5.111 0 40 HKAB O=C1CCC[C@@H]2[C@@H](CCN2C(=O)c2ccccc2-c2ccccc2)N1Cc1ccccc1 19713286 HRTTVNSZEHRCGK-CLJLJLNGSA-N 424.544 5.149 0 40 HKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20499318 FPDYOASGSWXRLL-HSZRJFAPSA-N 406.913 6.264 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)c4cccc(OCC(C)C)c4)ccc3o2)c1 21579384 IFQSUHGDMIXZFB-UHFFFAOYSA-N 416.477 5.791 0 40 HKAB O=C(Nc1ccccc1Br)c1cccnc1Nc1ccc(Cl)cc1 22072670 GFJFZVKORAXMGJ-UHFFFAOYSA-N 402.679 5.493 0 40 HKAB Clc1ccc(COc2ccc(Cl)cc2CNCc2ccccc2)c(Cl)c1 22073928 XLBULQDICCHSMQ-UHFFFAOYSA-N 406.740 6.516 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1 22245508 XXHDWRAKAABXBO-UHFFFAOYSA-N 423.538 5.429 0 40 HKAB CCCC(=O)Nc1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 22258558 AQZKLZVCZKKPDC-UHFFFAOYSA-N 422.912 5.910 0 40 HKAB Cc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(Cl)c2)cc1 28527534 FDYWSZVQGIFHPG-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB COc1cccc(-c2nc(C(=O)N3CCC[C@H]3c3ccc(C)cc3)cs2)c1OC 32754167 TZNMYHMEHUYAHG-IBGZPJMESA-N 408.523 5.113 0 40 HKAB Cc1c(C(=O)NCCc2ccc(F)cc2)oc2cc(OCc3ccccc3)ccc12 35686275 XOMHIVUCEAPXJD-UHFFFAOYSA-N 403.453 5.432 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CCC[C@]4(C)[C@@H]3CC[C@]12C 36371735 LPKKNVGOWXICRV-MQLAKOLLSA-N 402.707 7.859 0 40 HKAB Cc1cccc2cc([C@H]3Nc4ccccc4C(=O)N3CC(F)(F)F)c(Cl)nc12 40071821 GALPFBUXFINEQQ-SFHVURJKSA-N 405.807 5.325 0 40 HKAB C[C@H]1c2ccsc2CCN1C(=O)Nc1ccc(F)c(NC(=O)c2ccsc2)c1 47911819 RORBYTXOBVSZDT-LBPRGKRZSA-N 415.515 5.352 0 40 HKAB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 59056031 FRTSHWAYEVMONV-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB CCOc1cc(C(=O)OC)cc(NC(=S)Nc2cccc(Cl)c2C)c1OCC 71761779 CJIWHBHDXONLBT-UHFFFAOYSA-N 422.934 5.041 0 40 HKAB O=C(N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1)C1(c2cccs2)CCCC1 96119086 QWHKXQNDNBEFBJ-HNNXBMFYSA-N 413.568 5.078 0 40 HKAB CC(C)c1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(F)cc3)no2)cc1 98211326 RHSWXYVJIALWFD-UHFFFAOYSA-N 404.445 5.106 0 40 HKAB Fc1ccc(COc2ccc3ccccc3c2CNc2ccc(F)c(Cl)c2)cc1 106955795 YVJNUIVWRMJBMZ-UHFFFAOYSA-N 409.863 6.963 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)C[C@@H](O)CC[C@]34C)[C@@H]1C[C@H](CN1CCCCC1)C2=O 118915071 YHCZRFRDIZKNKD-NJXSCQSYSA-N 401.635 5.061 0 40 HKAB CC[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(C)c(C)c1 218858433 AMHXCQQBVXVZNM-KRWDZBQOSA-N 410.739 5.366 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 219843773 SGJLIMULPMFFLT-UHFFFAOYSA-N 423.896 5.656 0 40 HKAB CC(C)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222667119 BMQSRRGXAMSZBI-HXUWFJFHSA-N 408.586 5.075 0 40 HKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 222987515 ILIAZXPIWOIZTA-QFIPXVFZSA-N 409.913 6.545 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc4ccccc34)c2)cc1 223953973 SNVQPIQYXNSJDD-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB COc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1COC(C)C 224426802 YWZPPGUFXMDVIP-UHFFFAOYSA-N 405.494 5.452 0 40 HKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 225007643 XECSZVKJJVNYNV-RTWAWAEBSA-N 416.565 5.104 0 40 HKAB CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 225062552 YMYZBCAYZYBAEU-UHFFFAOYSA-N 424.747 5.471 0 40 HKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1ccc(Cl)c(Cl)c1 225828453 LWMIUKJNLINVSZ-UHFFFAOYSA-N 412.276 5.768 0 40 HKAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 226282937 DUVFIZNAKKUVIB-UHFFFAOYSA-N 403.187 5.717 0 40 HKAB CCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(CC(C)C)n1 257313639 UTLQUTFKKAQHDI-UHFFFAOYSA-N 412.917 6.014 0 40 HKAB O=C(O)c1cc(Br)cc(Br)c1OCc1ccccc1Cl 380441256 CBFOADGIKNTEPX-UHFFFAOYSA-N 420.484 5.142 0 40 HKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccc(F)cc2)nc1-c1ccc(F)cc1 408693671 BQNSQUSQGKWROF-UHFFFAOYSA-N 424.838 5.427 0 40 HKAB CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)cc3C)n2)cc1 408695836 SZYDKOMRZHAHCQ-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB COc1ccccc1NC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(C)cc2C)n1 408699831 WLOIHTJTBCEWJR-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccnc3)cc2-c2ccc3ccccc3c2)cc1 408727729 XGSGRJJJBADCJR-UHFFFAOYSA-N 404.473 5.648 0 40 HKAB O=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccccc1 408829683 XHVZQWMXSWYMKP-HAHDFKILSA-N 410.498 5.931 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCc2ccccc2Cl)o1 409013486 KMYBWRDIKQBWLT-JTQLQIEISA-N 415.729 6.462 0 40 HKAB Cc1cccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c1 409113869 JFOBLCGQHZCVRY-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 409116185 LELCDPAGVSRYKA-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccc(C)cc1 409178812 IRRZYCWDQIUPAO-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB COc1ccc([C@H](NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)C(C)C)cc1 604418502 FPZOAKSCSHFQDN-FCHUYYIVSA-N 406.530 5.205 0 40 HKAB COc1ccc([C@H](NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)C(C)C)cc1 604419416 MVTPPHBKMGDBOX-PGRDOPGGSA-N 423.582 5.591 0 40 HKAB CCCc1nn(C)c(C(=O)Nc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1Cl 633102 CHMHXYIOAKYHIC-UHFFFAOYSA-N 416.308 5.163 0 40 HKAB COc1ccc2cc([C@@H]3CC(c4ccc(Cl)cc4)=NN3C(C)=O)c(Cl)nc2c1 644930 XKAGWJNARXYYGR-FQEVSTJZSA-N 414.292 5.248 0 40 HKAB COc1ccccc1-c1nnc(SCC(=O)c2ccccc2)n1-c1ccc(C)cc1 793590 WDRJXUOHCJNYRB-UHFFFAOYSA-N 415.518 5.226 0 40 HKAB COc1ccc(OC)c(-c2nnc(-c3ccc(OCc4ccccc4)c(OC)c3)o2)c1 907863 JVZADRUCEALBAR-UHFFFAOYSA-N 418.449 5.008 0 40 HKAB CCc1ccc2nc(-c3ccc(-c4ccccc4C(F)(F)F)o3)cc(C(=O)O)c2c1 1790039 YNOJENXTTONLSN-UHFFFAOYSA-N 411.379 6.441 0 40 HKAB O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1cccc2ccccc12 1994628 YHPVYZMRBAXBAW-UHFFFAOYSA-N 411.071 6.254 0 40 HKAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccc(OCc2ccccc2)cc1 2248753 DCDZIVSHHQVMMX-MTJSOVHGSA-N 424.283 5.917 0 40 HKAB COc1ccc([C@H]2CC(=O)c3cnc4c(-c5ccc(Cl)cc5)c(C)nn4c3C2)cc1 2339455 JYHNDASNQCXJPR-QGZVFWFLSA-N 417.896 5.279 0 40 HKAB Cc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 2398263 KICGQNWWHLMLBP-FQEVSTJZSA-N 416.502 5.233 0 40 HKAB COc1ccc(-c2nnc3c4ccccc4n(Cc4ccccc4F)cc2-3)cc1OC 2691916 BUWSXRTVOPGZJD-UHFFFAOYSA-N 413.452 5.408 0 40 HKAB CC1(C)C[C@@](C)(c2ccc(Cl)cc2Cl)c2ccccc2N1C(=O)c1ccccc1 2739733 HCVXQFXLIWZBKL-VWLOTQADSA-N 424.371 7.129 0 40 HKAB Cc1ccc(NC(=O)[C@@H](N[C@H]2CCCc3ccccc32)c2ccccc2)cc1Cl 3327120 DDMRUARTFYRGKW-ZEQRLZLVSA-N 404.941 5.995 0 40 HKAB O=C(OCCOc1ccc(Cl)cc1)c1ccccc1C(=O)c1ccc(Cl)cc1 3328274 XSBJEVCBUXLHAQ-UHFFFAOYSA-N 415.272 5.460 0 40 HKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(S[C@H](C)CC)ncnc32)cc1 3658769 UOSRLKFWJODOCA-QGZVFWFLSA-N 403.551 6.377 0 40 HKAB CCCCCCN(CCCCCC)CC(=O)Nc1c(C)c(CC)nc2ccccc12 4359220 LLJJRUDUCBYKID-UHFFFAOYSA-N 411.634 6.507 0 40 HKAB Cc1nc(C[S@@](=O)c2ccc(Cl)cc2)cc(SCc2ccc(Cl)cc2)n1 4489482 ZIDVKOSMBXYMJD-SANMLTNESA-N 423.390 5.692 0 40 HKAB O=C(CSCc1ccccc1)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 4616501 HPLWGIUIWFKPOK-UHFFFAOYSA-N 401.491 5.276 0 40 HKAB C[C@@]12[C@@H](c3ccc(F)cc3)c3ccccc3O[C@]1(c1cccs1)C2(Cl)Cl 4681816 LGQNCDSWNAUXGK-ZCNNSNEGSA-N 405.321 6.501 0 40 HKAB CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2OC32CCC(C)CC2)cc1 4715958 XWRSJLGKZSEOKJ-ONWYWGCKSA-N 406.526 5.544 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3ccccc3C)C3CCCC3)cc2c1 4861289 XIBPYDSBJKLBBA-UHFFFAOYSA-N 421.972 6.790 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccccc3OC)sc3ccccc3c2=O)cc1 5205702 BIKCXWQYDALVEP-UHFFFAOYSA-N 417.486 5.198 0 40 HKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1c1nc2ccccc2s1 5272031 HDUNYGHFIQXNAE-FQEVSTJZSA-N 410.454 5.153 0 40 HKAB O=C(C[C@H](c1ccccc1)[C@H]1CCCN(c2ccccc2)S1(=O)=O)c1ccccc1 5373747 ZMCIVDFAVZLHII-ILBGXUMGSA-N 419.546 5.042 0 40 HKAB CC(C)OC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CC[C@H](C)C2 5723376 RUPKGGKKVSEEDL-IOAHRDFVSA-N 415.599 5.593 0 40 HKAB CCOc1cc(C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OCC 6155383 MQGBBJJELUXOAQ-UHFFFAOYSA-N 412.711 5.461 0 40 HKAB O=C(NCCCSc1ccccc1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 6610184 KWBBAKHYQDXYPS-QHCPKHFHSA-N 417.530 5.053 0 40 HKAB CCN1C(=O)S[C@H](Cc2ccc(OCc3cccc4ccccc34)c(OC)c2)C1=O 6952903 KXOVEMHYMOWTHM-JOCHJYFZSA-N 421.518 5.054 0 40 HKAB Cc1ccc(Nc2nnc(S[C@@H](C(=O)NC3CC3)c3ccccc3)s2)c(C)c1 6975573 SQFWSKKBZJPGGD-GOSISDBHSA-N 410.568 5.011 0 40 HKAB Cc1ccc(-n2c(SCc3cc(C)on3)nc3sc(C)c(C)c3c2=O)c(C)c1 7063257 XPWJGCMZHRDHKN-UHFFFAOYSA-N 411.552 5.270 0 40 HKAB CCOc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1OCC 7360599 BPYBMRJFDPYAPT-UHFFFAOYSA-N 413.495 5.077 0 40 HKAB CCOc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1cccs1 7523828 QUEZEJCSNIJFPQ-UHFFFAOYSA-N 406.551 5.539 0 40 HKAB CCn1c(SCc2cccc3ccccc23)nnc1-c1cccc(NC(C)=O)c1 7605148 DZMAAPSVMKXQRS-UHFFFAOYSA-N 402.523 5.369 0 40 HKAB CCOc1cc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)cc(Cl)c1OC 7699873 CBVHDXBYACUBHF-RIYZIHGNSA-N 416.930 5.080 0 40 HKAB O=S(=O)(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc2c(c1)CCCC2 8683793 MJGCKDWRKCYUBW-UHFFFAOYSA-N 421.547 5.038 0 40 HKAB aggregator O=C(/C=C/c1cc2c(cc1Br)OCO2)Oc1cc(Cl)cc(Cl)c1 8873470 MYSYRPTYYSGSNS-OWOJBTEDSA-N 416.054 5.103 0 40 HKAB Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3ccc(F)cc3Cl)cc2O)n1 9410170 WZEONJLQIBQONP-UHFFFAOYSA-N 421.859 5.470 0 40 HKAB biogenic Cc1ccc(NC(=O)CSc2nc(C(F)(F)F)nc3ccccc23)c(Cl)c1 9517008 OFINTESXYFMJSF-UHFFFAOYSA-N 411.836 5.341 0 40 HKAB Clc1ccc(-c2nnc(CSc3nnc(C4CC4)n3Cc3ccccc3)o2)cc1 9764616 ICDXUNWYTDAGDD-UHFFFAOYSA-N 423.929 5.200 0 40 HKAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)Cc1ccc(Cl)cc1Cl 12565760 AJCOJNIDPWQPOB-OWQGQXMQSA-N 401.330 5.083 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)C1(c2ccccc2F)CCCC1 12599798 UIFKZIBMYSLLNC-LQWHRVPQSA-N 404.522 5.185 0 40 HKAB O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccccc1Oc1ccccc1 12739046 IUFZVZVZAUVXIC-UHFFFAOYSA-N 412.445 5.684 0 40 HKAB COc1ccccc1[C@@]1(CCN(C(C)=O)[C@H](C)c2ccccc2)CCO[C@@H](C(C)C)C1 12863676 BLORJSGUUHAICH-ZFWHIUCFSA-N 423.597 5.768 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1sc(COc2ccc(Cl)cc2)nc1C 12904426 ZZFCPXGJXCYBJA-UHFFFAOYSA-N 423.321 5.598 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1ccc(F)cc1F)CC2 13003758 KWZZZJKKYQZDSR-HSZRJFAPSA-N 424.447 5.162 0 40 HKAB CCOCCCNc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CCC3 13228233 FHTYFHRUAHIUGU-UHFFFAOYSA-N 416.616 5.412 0 40 HKAB Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2N=C(O)C[C@H]3c2ccc(F)cc2)n1 13656010 DFMYLTAWPKKUJY-IBGZPJMESA-N 413.456 5.209 0 40 HKAB COC(=O)c1cccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1C 13687731 BGIAREHGOHWVRR-UHFFFAOYSA-N 409.869 5.266 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 14002789 NABBWKJLWWPXOC-UHFFFAOYSA-N 421.324 5.027 0 40 HKAB COc1ccc(-c2csc3ncnc(Sc4ccc(NC(C)=O)cc4)c23)cc1 14109538 RONBLZRSRDZMFU-UHFFFAOYSA-N 407.520 5.477 0 40 HKAB COc1ccc([C@H]2CC(O)=Nc3sc(C(=O)Nc4ccccc4)c(C)c32)cc1O 15107029 HUVXOSRQCUGAFM-OAHLLOKOSA-N 408.479 5.147 0 40 HKAB Cc1ccc(N/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)c3ccccc32)c(C)c1 15401543 YKVPDKIDQZVIIG-STZFKDTASA-N 402.881 5.597 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(Cl)cc2Cl)cc(Br)c1OC 15431990 XKTJXVXFRCWYSK-UHFFFAOYSA-N 419.102 5.416 0 40 HKAB CCc1ccc(OCC(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc1 15835610 JCYQSISRNITIJU-XMMPIXPASA-N 404.535 5.419 0 40 HKAB COc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(OC)c1 17091325 SRBHJXJORNRUBP-VMPITWQZSA-N 418.276 5.923 0 40 HKAB COc1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1NC(=O)c1cccs1 17092355 NZQHHFFRFILFRY-MDWZMJQESA-N 420.534 5.784 0 40 HKAB Clc1ccc(N2C(c3ccccc3)=N[C@@H](N3CCCCC3)[C@H]2N2CCCCC2)cc1 19321270 RCNKSSYHYNGAHW-DQEYMECFSA-N 423.004 5.231 0 40 HKAB c1ccc(OCCOc2ccc(CNc3cccc(OC[C@H]4CCCO4)c3)cc2)cc1 19738597 NOWTVELISJYVQM-AREMUKBSSA-N 419.521 5.314 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 20458901 CYSGTIPZPKSDBW-UHFFFAOYSA-N 412.338 5.350 0 40 HKAB CC1(C)CC(=O)c2c(Nc3ccc(Cl)c(Cl)c3)nn(-c3ccccc3)c2C1 20672093 TVPMKIZTJREWIN-UHFFFAOYSA-N 400.309 6.078 0 40 HKAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 25414392 KWKKKDFQDMOPAC-SFHVURJKSA-N 412.839 5.143 0 40 HKAB Cc1nc(-c2cccc(NC(=O)c3sc(NC(=O)C(C)(C)C)cc3C)c2)cs1 25535749 WWSZWAMCTSIHCR-UHFFFAOYSA-N 413.568 5.725 0 40 HKAB O=C1[C@@H](Cc2ccccc2)n2c(-c3ccc(Cl)cc3)nnc2N1c1ccccc1 27525993 RTKFYFQJNLYURK-HXUWFJFHSA-N 400.869 5.061 0 40 HKAB CCOc1ccc2nc(NC(=O)c3cc(=O)c4cc(Cl)c(C)cc4o3)sc2c1 27795138 AMDUWIUEFBVXQU-UHFFFAOYSA-N 414.870 5.016 0 40 HKAB COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1OC 29564869 CCCNUJSNEQNVBI-UHFFFAOYSA-N 418.424 5.417 0 40 HKAB CN(Cc1ccccc1)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 31938110 SUKZMYOUEROBNF-RUZDIDTESA-N 402.925 5.721 0 40 HKAB COc1cccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c3c2CCCCC3)c1 35323931 XAOBQVAJSXWZSH-UHFFFAOYSA-N 403.913 5.994 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)O)n2-c2ccc(Cl)cc2)cc1 36724792 DCTILTYGXQNNSG-UHFFFAOYSA-N 401.919 5.062 0 40 HKAB Cc1cccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 44909707 PERCYVDVTWEPRS-UHFFFAOYSA-N 419.396 5.263 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(Oc3ccc(F)cc3)c(C(F)(F)F)c2)cc1 59417208 FSVJHCVKBGQVGH-UHFFFAOYSA-N 419.374 5.963 0 40 HKAB CC1(C)C[C@H](N(Cc2ccccc2)C(=O)c2cnc(-c3cccnc3)s2)C(C)(C)O1 95991725 HJNOKOHLICAFSY-FQEVSTJZSA-N 421.566 5.194 0 40 HKAB O=C(Nc1ccc(F)cc1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 96037892 UDGHXJBQNGEGHI-UHFFFAOYSA-N 415.449 6.010 0 40 HKAB CCOc1ccc(C)cc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc12 96305714 OYZJQLBEYXYUSR-UHFFFAOYSA-N 412.294 5.016 0 40 HKAB O=C(c1ccccc1F)N1N=C(c2ccco2)C[C@H]1c1cccc(Br)c1 97165252 JSQHNVHDOIBFDV-SFHVURJKSA-N 413.246 5.173 0 40 HKAB CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3Cc2ccccc2)cc1 101168012 MPWDRBWXUSGTIY-HSZRJFAPSA-N 408.505 5.263 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1c1ccc(Oc2ccccc2-c2ccccc2)cc1 102632487 BCIMCGGUVWTANB-WHBJXLRSSA-N 407.469 5.457 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@H](c4cccc(Cl)c4)Oc4ccc(Cl)cc4[C@H]3C2)c1 102767323 QVCFFHYBDOKSJT-VWNXMTODSA-N 423.343 6.853 0 40 HKAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222756588 QBGYVSSCXDRNEA-MSOLQXFVSA-N 401.944 5.082 0 40 HKAB CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CC 223411477 GFUBHUAHYUUMJD-JOCHJYFZSA-N 400.950 5.126 0 40 HKAB COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)cc1 223648070 LCIIZIDIROXXNL-UHFFFAOYSA-N 407.850 5.081 0 40 HKAB COc1ccc(/C=C(/C(=O)NCCOc2ccc(C)c(Cl)c2)c2ccccc2)cc1 224120457 BEZYPWHAPDGWOT-XQNSMLJCSA-N 421.924 5.393 0 40 HKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 224352093 HANUMCYXKMUKDB-BJKOFHAPSA-N 416.594 5.738 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1cccc(OC)c1 224593088 BGKGXJQGEBHJMT-UHFFFAOYSA-N 419.521 5.850 0 40 HKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225004522 RJNYYTZORSVEFL-NHCUHLMSSA-N 408.586 5.075 0 40 HKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1C 225024900 OSYYBSQFHFNKRF-BJKOFHAPSA-N 416.594 5.404 0 40 HKAB COc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225265728 DFGFEAOBYJKISM-LLVKDONJSA-N 418.868 5.121 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCC)c(C(=O)OCC)c1 225826982 LLMLNPQRNMWECQ-QHCPKHFHSA-N 407.551 5.356 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OCC)c2)CCC(C)CC1 225856715 RBJCPBRSLSMEFR-UHFFFAOYSA-N 419.562 5.212 0 40 HKAB CCOc1ccc(C2=NN3[C@H](c4ccccn4)Oc4c(OCC)cccc4[C@H]3C2)cc1 248377438 GQIQXMCBRHJHTO-RDGATRHJSA-N 415.493 5.121 0 40 HKAB COc1ccccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257212828 CFDINAWQEOKDPX-HXUWFJFHSA-N 410.901 5.295 0 40 HKAB CC(C)Cc1nc(COc2ccc(Cl)cc2)c(C(=O)O)cc1-c1ccccc1F 257337348 YSLJTRGQVSBNQX-UHFFFAOYSA-N 413.876 6.017 0 40 HKAB COc1cc(C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(C)cc1 408552539 JJWLCTARPCPTHF-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccc(C)c(C)c4)ccc3o2)c1 408619958 DXVJFWIZJZGANZ-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 408697560 HUMIIVHBRJFNPS-UHFFFAOYSA-N 409.276 5.493 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)NCCSCc2cccc(Cl)c2)cc(C)c1Cl 408706220 XTEMMEVMEUHCJQ-HNNXBMFYSA-N 412.382 5.427 0 40 HKAB CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12 408735133 JXBHYZXYNOOFBD-URFUVCHWSA-N 413.904 5.085 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 408778509 GPHRVUWPYPSZTH-RUZDIDTESA-N 416.546 5.330 0 40 HKAB COc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)c(Cl)c3)sc2c1Cl 408968716 BQTKOWBUPJYEFR-UHFFFAOYSA-N 421.132 6.776 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=C(c3ccccc3)N2[C@@H]1c1ccccc1OCC 408989023 JJUYMHTXOUMSMP-JOCHJYFZSA-N 420.534 5.381 0 40 HKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 409097208 NEUAPYOUQFBGPD-UHFFFAOYSA-N 419.981 6.366 0 40 HKAB CCOc1ccc(NCc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 409110691 FYFUHCLQCPABLR-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB O=C1N/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1c1ccc(Cl)cc1 409174889 VEAJJKCKSYOELQ-FYJGNVAPSA-N 422.843 5.155 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 409195526 WDLSWLBICOBQMK-HWQJWEFDSA-N 422.333 6.412 0 40 HKAB Fc1cccc(COc2ccc(Cl)cc2CNc2ccc(Cl)c(Cl)c2)c1 409195875 RNIZCQATMRBQCY-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB Cc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(C)c1-c1ccc(Br)cc1 409205628 DGLAVPWOYPGGGI-UZYVYHOESA-N 421.747 5.219 0 40 HKAB COc1ccc2oc(=O)c(-c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2c1 1889299847 GYFBDUUQVFBOLP-UHFFFAOYSA-N 414.848 5.732 0 40 HKAB O=C(N1CCC[C@@H]1c1ccnc(-c2ccccc2)n1)C1(c2cccc(F)c2)CCCC1 2037834811 SFYBBMSRPCPUFH-HSZRJFAPSA-N 415.512 5.458 0 40 HKAB C/C(C(=O)Nc1ccc(C)c(C)c1)=C(/C)c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1 642895 HELZKQLBICUCIM-VHEBQXMUSA-N 423.516 5.843 0 40 HKAB CCCCSc1nc2c(c(=O)n1Cc1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 1772153 NXZGFGXTDPYSRU-SANMLTNESA-N 418.606 6.075 0 40 HKAB O=c1c(Oc2ccc(-c3ccccc3)cc2)coc2cc(OCc3ccccc3)ccc12 1966315 YRHKFDHTDMVZOG-UHFFFAOYSA-N 420.464 6.831 0 40 HKAB CCCCCC(=O)N[C@H](Sc1nc2ccccc2s1)C(Cl)(Cl)Cl 2066209 HKYFFZGJHOMRKB-CYBMUJFWSA-N 411.807 5.781 0 40 HKAB CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccc(Br)cc3)coc2c1 2414953 DCGOULBQKSQVSI-UHFFFAOYSA-N 416.271 5.063 0 40 HKAB biogenic Cc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)o1 2617309 CXTHWHXHVTZXRA-PORFMDCZSA-N 402.661 5.132 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCCCc3ccccc3)cc12 3419184 AWYGNSNZOUZZBT-UHFFFAOYSA-N 410.926 5.838 0 40 HKAB CCOc1ccc2c(c1)[C@@H](OC(C)=O)C(C)(C)[C@@H](c1ccc(Br)cc1)N2 3644661 JTMJWQFQFQGGFK-WOJBJXKFSA-N 418.331 5.645 0 40 HKAB CCN(CC)C(=O)CSc1nc(-c2ccc(C)cc2)nc2c1Cc1ccccc1O2 4316646 AXYDFHVXZZITTA-UHFFFAOYSA-N 419.550 5.109 0 40 HKAB CSC1=N[C@]2(C[C@@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)CC(C)(C)N1 4553240 DSDFSXFVDPCKMS-BTYIYWSLSA-N 402.947 5.147 0 40 HKAB COc1ccc([C@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2C(=O)CC(C)C)cc1 4816878 USYZZHXKEWYXNK-NHCUHLMSSA-N 424.932 5.054 0 40 HKAB CC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)[C@@H](C)c1cccs1 5076582 BXEUCOHZDIOKBI-GRYUFTJMSA-N 413.627 6.129 0 40 HKAB CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1SC 5341887 WHFXOUCZQVJDMR-UHFFFAOYSA-N 410.395 6.286 0 40 HKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1SC 5341890 YSJAMVAGGIOOHM-UHFFFAOYSA-N 410.395 6.286 0 40 HKAB O=C(C[C@@H](c1ccccc1)[C@@H]1CCCN(c2ccccc2)S1(=O)=O)c1ccccc1 5373745 ZMCIVDFAVZLHII-ZCYQVOJMSA-N 419.546 5.042 0 40 HKAB C[C@@H]1C[C@@H](C)CN(C[C@H](O)COC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1 5602981 HZGYJRYBXODOSF-YVHKJVDXSA-N 422.396 5.438 0 40 HKAB Cc1ccc(O)c(/C(=N\c2ccccc2/N=C/C=C/c2ccccc2)c2ccccc2)c1 5927023 RJKRVFOADXXGKA-QNMCJTQYSA-N 416.524 7.285 0 40 HKAB CCc1ccc2oc(-c3cc(NC(=O)c4cccc(C)c4OC)ccc3Cl)nc2c1 6225666 MDTXYZCMQWOZOV-UHFFFAOYSA-N 420.896 6.280 0 40 HKAB COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1NC(=O)C(C)C 6357746 PDSBPICGVFMDOL-WEVVVXLNSA-N 407.297 5.248 0 40 HKAB CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1cccc(Cl)c1 6595622 CQJYDJOGGJANJS-UHFFFAOYSA-N 403.975 5.725 0 40 HKAB CCOc1ccc(CN(C)[C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)cc1 6881022 UPLZIZFELRALLI-DEOSSOPVSA-N 422.956 5.859 0 40 HKAB C[C@@H](c1ccccc1)n1c([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 7542768 DDUVYYFAVPOMBO-HKUYNNGSSA-N 415.924 5.820 0 40 HKAB CCc1ccc(/C=C2/SC(Nc3ccc(Cl)cc3C(F)(F)F)=NC2=O)cc1 8337823 OFUBWBZKCQPOMW-CXUHLZMHSA-N 410.848 6.004 0 40 HKAB Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 8664921 IXXWVKFRMYPOLI-OAQYLSRUSA-N 416.864 5.208 0 40 HKAB COc1ccc2nc(Nc3nc4ccc5nc(SC)sc5c4s3)sc2c1 9381966 YFZCIPDTIPQDBF-UHFFFAOYSA-N 416.578 5.990 0 40 HKAB Cn1ccnc1[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)c1ccc(Cl)cc1 9466720 JRBCQNFOKLPEMT-QFIPXVFZSA-N 417.896 5.385 0 40 HKAB Cc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 9599399 PEXUIPMETKKKCA-UHFFFAOYSA-N 420.365 5.611 0 40 HKAB O=C1CCc2cc(-c3csc(NC(=O)c4cc(Cl)cc(Cl)c4)n3)ccc2N1 11451392 FTARLMRXFYMCHA-UHFFFAOYSA-N 418.305 5.254 0 40 HKAB COc1ccc([C@H](CNC(=O)c2oc3ccc(C)cc3c2C)N2CCCCCC2)cc1 11915582 BJVAAFNQSAQLRF-QHCPKHFHSA-N 420.553 5.405 0 40 HKAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN1CC=C(c2ccc(F)cc2)CC1 12865231 IZOZKBXFTWQRFR-MWXBQQNOSA-N 409.545 5.373 0 40 HKAB biogenic CCn1c(-c2ccccc2)c(C(=O)CN2CCN(c3ccccc3)CC2)c2ccccc21 13038849 FUARBPXITBEDSX-UHFFFAOYSA-N 423.560 5.333 0 40 HKAB CCN(CC)[C@H](CNc1ncnc2sc3c(c12)CCC3)c1ccccc1Cl 13040021 NZWHWIRMTXHWIQ-QGZVFWFLSA-N 400.979 5.328 0 40 HKAB CC(C)CNC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 13686753 QZSHPWMHVWNLOG-UHFFFAOYSA-N 417.534 5.907 0 40 HKAB CN(C)Cc1ccc(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)cc1 14159996 ZNKXRSAXKRCBPT-UHFFFAOYSA-N 403.507 5.403 0 40 HKAB Fc1ccc(COc2ccc(Cl)cc2CNCCc2c[nH]c3ccccc23)cc1 16525342 OSKLZNUXAVNDLP-UHFFFAOYSA-N 408.904 5.872 0 40 HKAB Cc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)c1 16757646 MYWIESVHBYKIAU-UHFFFAOYSA-N 421.569 6.997 0 40 HKAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(-c2ccc(Cl)cc2Cl)o1 17087599 VXYKDFFYGFTZMR-UHFFFAOYSA-N 407.253 6.255 0 40 HKAB CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 17087848 ZODOGSVEOUNORC-UHFFFAOYSA-N 408.310 5.271 0 40 HKAB CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 17088128 WYSKSRNMPNYAKW-ACCUITESSA-N 408.885 5.909 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cc(Br)ccc1Cl 17089438 OLTRQEKCMDRKTH-UHFFFAOYSA-N 413.020 6.027 0 40 HKAB CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc4ccccc4c3)cc2s1 17091874 JBULXLRXVBOCHW-UHFFFAOYSA-N 419.506 5.206 0 40 HKAB CCc1ccc(-n2nc3ccc(NC(=O)COc4cccc5ccccc45)cc3n2)cc1 17093089 PQFJEYCHNSUXRP-UHFFFAOYSA-N 422.488 5.154 0 40 HKAB CCN(CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2ccc(C)cc2s1 17287607 QWDALOPCDSOFPE-UHFFFAOYSA-N 421.610 5.472 0 40 HKAB CC1=C(C(=O)OC(C)(C)C)C(c2c[nH]c3ccccc23)C(C(=O)OC(C)(C)C)=C(C)N1 19418522 XBWOIZSNTGDHGN-UHFFFAOYSA-N 424.541 5.086 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc3ccccc23)c(Cl)c1 20107868 VBDHPXGVAHOLFF-FQEVSTJZSA-N 411.885 5.466 0 40 HKAB CCOc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3sccc3C)no2)cc1 21524321 LZBYEZWDURNKPP-UHFFFAOYSA-N 422.506 5.546 0 40 HKAB Cc1nc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)sc1-c1nccn1C 22992663 AKBABNZIAILVPW-UHFFFAOYSA-N 423.567 5.351 0 40 HKAB CCOc1cc(/C=C/c2ccc3ccc(Cl)cc3n2)ccc1O[C@H](C)C(=O)N(C)C 23611518 AKNVKFPFAKPQHB-HKUPYCBJSA-N 424.928 5.313 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2cccc(NC(=O)Nc3ccccc3)c2)c1C 32771505 MLXVIKHJPZVUNO-MRXNPFEDSA-N 418.497 5.161 0 40 HKAB COc1cc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)O)cc(Cl)c1OC 33879706 NPSFOQIOCAZCQI-OJNRTJSBSA-N 423.896 5.727 0 40 HKAB Cc1ncc(NC(=O)c2c(F)cccc2Cl)n1-c1nc(-c2cccs2)cs1 35682828 WGGLYUVCHXPBGE-UHFFFAOYSA-N 418.906 5.411 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2cccc3ccccc23)[nH]n1 51315694 RNJKNZHPGSPJPX-UHFFFAOYSA-N 405.457 6.275 0 40 HKAB O=C(OCc1csc(Br)c1)c1cccnc1Nc1cccc(F)c1 51744697 QCAIHXLAGYHGHC-UHFFFAOYSA-N 407.264 5.145 0 40 HKAB Cc1cccc(NC(=O)CSCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1C 58183089 NFHONHYOWFIWHQ-UHFFFAOYSA-N 421.444 5.244 0 40 HKAB COc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccccc1Cl 59409204 JIDMNACFHUORBR-JOCHJYFZSA-N 410.926 5.624 0 40 HKAB CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(CC)cc2)cc1 59483207 MKJMDGRHFCTCSJ-AREMUKBSSA-N 414.549 6.589 0 40 HKAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)c(Cl)c2)n1 67296843 YOTXGRVASWIMOJ-RWEWTDSWSA-N 403.869 5.583 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2C)cc1 67297727 OTTVCRMZTHUFOL-PNHLSOANSA-N 418.880 5.888 0 40 HKAB COc1cc([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCCC2)ccc1OC(F)F 71285725 FXVZXBIOQQEING-INIZCTEOSA-N 409.458 5.200 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)c1 72229957 KQTAHSDDDYRHOB-HSZRJFAPSA-N 409.913 5.853 0 40 HKAB Cc1ccccc1C1CC(N(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)C2CC2)C1 72295504 JXAKMJMZZSKTIT-UHFFFAOYSA-N 424.544 5.798 0 40 HKAB CC(C)(C)c1cc(C(=O)CSc2ncccc2C(=O)O)cc(C(C)(C)C)c1O 94992721 JQMGSCQASKWCMN-UHFFFAOYSA-N 401.528 5.055 0 40 HKAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1C[C@H]1CC=C(C)C1(C)C 103971965 ALVSXBNVSPRINX-XMSQKQJNSA-N 406.570 6.509 0 40 HKAB CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccc(Br)cc2)C1=O 106722804 DKXQPMBQTBTLLJ-BOPFTXTBSA-N 418.312 5.084 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 216448763 UPLAGXQMUOHKMS-IBGZPJMESA-N 407.819 6.308 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)cc2)cc1 222658628 UAYRHHSBUGPNRL-GOSISDBHSA-N 419.546 5.550 0 40 HKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 223755832 QTWSDECGFALUTM-GOTSBHOMSA-N 420.582 5.267 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc(-c2ccccc2)on1 224064957 SWJACNMVMGUXRD-UHFFFAOYSA-N 402.837 5.478 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)c1 224242502 JTPBPJDQUFRQNE-JWQCQUIFSA-N 424.573 5.666 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1C 224261007 VXMIUKKEDLLVMP-ZEQRLZLVSA-N 416.594 5.629 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1cccc(Cl)c1 224488037 SYJHVDBEVMRPIT-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1ccccc1C(C)C 224566882 UVICSZFBQNDZAP-UHFFFAOYSA-N 419.521 6.049 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1ccccc1OC 224578076 QQTJGQIXWPIOCA-UHFFFAOYSA-N 421.493 5.324 0 40 HKAB O=C(Nc1ccc(OCCN2CCCCCC2)cc1)C1(c2ccccc2F)CCCC1 225516114 BQSFTYIFLDKMGN-UHFFFAOYSA-N 424.560 5.531 0 40 HKAB O=C(Nc1ccc(OC2CCCC2)cc1)C1(c2ccc(Cl)cc2Cl)CCCC1 225528388 VXXLGDHADXPMOU-UHFFFAOYSA-N 418.364 6.765 0 40 HKAB S=C(NCCCSCc1ccccc1)Nc1ccc(OC2CCCC2)cc1 225598919 LKIXWCJLSVOKJL-UHFFFAOYSA-N 400.613 5.618 0 40 HKAB Fc1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)cc1Cl 225609626 RVMWCNADSIJOQZ-UHFFFAOYSA-N 403.375 5.742 0 40 HKAB Cc1ccc(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)cc1C 408527986 PTTCUFSLKWVQHG-UHFFFAOYSA-N 407.326 5.126 0 40 HKAB Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 408738685 UWUSQDNFFWEANO-DEOSSOPVSA-N 414.549 5.215 0 40 HKAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 409027018 QINJUGARYDGVCU-UHFFFAOYSA-N 419.634 6.643 0 40 HKAB CCOc1cc(C)c(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1C(C)C 409199768 DPPOYIJCZLHYGM-RGVLZGJSSA-N 415.942 6.411 0 40 HKAB CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1 409330033 JCFWIRWVTUNOJN-UHFFFAOYSA-N 417.918 5.156 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccccn3)cs2)cc1 585268762 DVKFENWHUYXDTD-OAQYLSRUSA-N 420.582 5.425 0 40 HKAB COc1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 2033377415 YIPJBSXSAMSSSQ-SLZCIYKKSA-N 410.598 5.453 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(Cl)cc4)sc3n2)c1 661293 KBVITEQDLCOHJR-UHFFFAOYSA-N 409.898 5.460 0 40 HKAB COc1ccc(CNc2ncc(-c3ccc(Cl)c(Cl)c3)n2C)c(OC)c1OC 819075 LKNIEFNLXNEYBN-UHFFFAOYSA-N 422.312 5.032 0 40 HKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc12)Nc1cccc(Cl)c1 869926 RMXBOVGYKFDDOM-UHFFFAOYSA-N 423.900 5.820 0 40 HKAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(C(=O)c2ccccc2)cc1 1510129 SCXRJQIJPYXYDU-UHFFFAOYSA-N 417.468 5.713 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1CC[C@@H](C)C2 1939996 YDSDRPGIFPIKCO-GFCCVEGCSA-N 421.946 5.029 0 40 HKAB CC(C)OP(=O)(Oc1ccc([C@H](O)C(Cl)(Cl)Cl)cc1)OC(C)C 2326347 BXSVTSJVYSNLMT-ZDUSSCGKSA-N 405.642 5.427 0 40 HKAB O=S1(=O)c2ccccc2N[C@H](c2cccc(C(F)(F)F)c2)N1Cc1ccccc1 2502975 ZUNUIVKBOHADEW-FQEVSTJZSA-N 418.440 5.021 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(Nc3ccc(C)cc3C)s2)c1C 2627072 MOIYXTMVGGPTQX-UHFFFAOYSA-N 414.556 5.021 0 40 HKAB CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1ccc(Cl)c(Cl)c1 2721895 KBRAFPYZTNGPCI-UHFFFAOYSA-N 408.310 5.460 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 3012971 CZNXWZQWVKVKDT-UKRRQHHQSA-N 410.783 5.042 0 40 HKAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(OC(F)F)cc1 3286800 OYNQALXNZQSLHB-UHFFFAOYSA-N 402.378 5.517 0 40 HKAB O=C(OCc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)nc2ccccc12 3309308 WUCQVKZUYCKRGF-UHFFFAOYSA-N 407.391 6.278 0 40 HKAB C[C@@H](OC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)c1ccc(F)cc1 3486714 XJLSBMFSOVZOGD-CYBMUJFWSA-N 411.885 6.674 0 40 HKAB Cc1ccc(C(=O)N2c3ccccc3N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 4199057 YDDIEUHUFWSALF-NDEPHWFRSA-N 416.524 6.908 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccn2)c2cccs2)c1C 4305832 XOLWDIQRUUNPTN-OAQYLSRUSA-N 419.575 6.275 0 40 HKAB CCOc1ccc(-c2cnc(NCc3ccc(OCc4ccccc4)cc3)n2C)cc1 4678939 VTTSRSSHHUSIDC-UHFFFAOYSA-N 413.521 5.677 0 40 HKAB O=C(O)O[C@]1(CC2c3ccccc3-c3ccccc32)C(F)=C(F)C(F)=C(F)[C@H]1F 5225930 YQCQZAIPKWXXJX-NQIIRXRSSA-N 408.322 6.275 0 40 HKAB CC(C)[C@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5761341 ARYTXMNEANMLMU-ATEDBJNTSA-N 402.707 7.715 0 40 HKAB endogenous,in-man Cc1cc(NC(=O)c2ccc(C(C)C)cc2)ccc1NC(=O)c1cc2ccccc2o1 5960479 GNZYVOQVRFRPKX-UHFFFAOYSA-N 412.489 6.369 0 40 HKAB CCOc1cc(CNc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1C 6026591 JCSYHVJAFVVEOH-UHFFFAOYSA-N 420.509 5.032 0 40 HKAB C[C@@H](Oc1ccccc1F)c1nnc(SCc2ccc(-c3ccccc3)cc2)o1 7138216 LKEJOIRYLTZEQJ-MRXNPFEDSA-N 406.482 6.308 0 40 HKAB O=C(Nc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1)c1ccccc1 7741223 BFEXHLBYCOBDLT-UHFFFAOYSA-N 405.504 5.376 0 40 HKAB Cc1ccc(-c2cc(NC(=O)CN3CCC[C@@H]3c3nc4ccccc4s3)on2)cc1 7987028 VJSWYHCKIUSDBN-LJQANCHMSA-N 418.522 5.035 0 40 HKAB O=C1N[C@@H](c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)Nc2ccccc21 8156068 ABLBSNHKLFZPGO-QHCPKHFHSA-N 414.896 5.106 0 40 HKAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)N(CCC(C)C)C(=O)C(C)(C)CO2 8959934 IDEQQMYOGGCZEF-UHFFFAOYSA-N 424.541 5.135 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)cc1 9135152 FCLSJPHVVULPKT-UHFFFAOYSA-N 422.868 5.738 0 40 HKAB O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccc(F)cc1 9545890 DFDUGICGPGXYMQ-UHFFFAOYSA-N 421.472 5.247 0 40 HKAB CCCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(CC)cc3c2C)cc1 11913740 GROGQWCGXAZLNI-UHFFFAOYSA-N 405.454 5.395 0 40 HKAB O=C(N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1)c1cccs1 12540122 LPAYBSADVKDPND-QGZVFWFLSA-N 401.413 5.163 0 40 HKAB Cc1cccc(OCCn2c([C@@H](C)c3ccc(CC(C)C)cc3)nc3ccccc32)c1 13030755 ZNSLRMJIWZQOGX-QFIPXVFZSA-N 412.577 6.774 0 40 HKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 13685236 RILOTAXHBRRTGG-GOSISDBHSA-N 416.521 5.308 0 40 HKAB Cc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)c(C)c2)c1 13714610 LPJMDOGYADDLJW-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB COc1ccc(CCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1OC 14604015 NAJRVHIYSLMFHR-UHFFFAOYSA-N 418.518 5.552 0 40 HKAB C=C1CC[C@H](O)C/C1=C\C=C1/CCC[C@]2(C)[C@@H]1CC[C@@H]2[C@@H](C)CCCC(C)(C)O 14693645 JWUBBDSIWDLEOM-SLRLNKOGSA-N 400.647 6.734 0 40 HKAB COc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(OC)cc4)oc3c2)cc1 15729371 BAVYHUYUQDCQPV-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB biogenic O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccccc1OC(F)F 17090960 FFFXBYSJNRCRSY-SOFGYWHQSA-N 417.264 5.121 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1Br 17091851 LVFIIGTVRKCARE-UHFFFAOYSA-N 419.500 5.126 0 40 HKAB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)cc3)cc2Cl)CC1 17092949 GKTIUNRWFBVJTH-UHFFFAOYSA-N 422.381 5.357 0 40 HKAB COc1ccc(Nc2nc(NCCC(C)C)nc3c2cnn3-c2ccccc2)cc1 17113135 GZDBUMKAGBXFDP-UHFFFAOYSA-N 402.502 5.026 0 40 HKAB C[C@@H]1C[C@@H](OC(=O)c2ccccc2C(=O)O[C@@H]2C[C@@H](C)CC(C)(C)C2)CC(C)(C)C1 17325834 ATHBXDPWCKSOLE-UAFMIMERSA-N 414.586 6.430 0 40 HKAB C[C@H](Oc1ccc(Br)cc1Br)c1nc2ccccc2s1 19897691 QGNKENHICPCKAL-VIFPVBQESA-N 413.134 5.961 0 40 HKAB COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1-c1ccc(CO)o1 20140231 SRSWJGNOFTYRFA-UHFFFAOYSA-N 423.852 5.613 0 40 HKAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 20145292 NMCMYUCJUYMFCU-GXDHUFHOSA-N 415.445 5.359 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)[C@H]1CC(O)=Nc2cc(-c3ccccc3)nn21 20728076 RHQXRRJLJQOHGD-OAHLLOKOSA-N 401.253 5.028 0 40 HKAB CCCCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)c1 21580407 RBKWQRFYICKNSX-UHFFFAOYSA-N 415.493 5.670 0 40 HKAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CSC1=Nc2ccccc2CS1 22022336 JOONGTAVFIXWGP-UHFFFAOYSA-N 411.379 5.620 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](N[C@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 25051856 YFUWMMQZPSFPDI-RLWLMLJZSA-N 424.548 5.520 0 40 HKAB CCCCc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 30938235 YJSVQGVKKSRAMX-UHFFFAOYSA-N 419.396 6.187 0 40 HKAB CCCCc1ccc2nc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)sc2c1 32118597 IKFZWLDIRGZLGL-UHFFFAOYSA-N 417.987 5.348 0 40 HKAB O=c1cc(-c2cccc(Cl)c2)nc2n(Cc3ccccc3F)c3ccccc3n12 40484743 KXPMHTXHCHMXGI-UHFFFAOYSA-N 403.844 5.157 0 40 HKAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2cccc3ccccc23)[nH]n1 44838049 IIAIMSUEWABEPH-UHFFFAOYSA-N 417.468 5.713 0 40 HKAB CC(C)(C)c1nn(-c2ccccc2)c2nc3c(cc12)CN(C1CCCCC1)C(=O)O3 57744290 MDTGNBUXBHFQAT-UHFFFAOYSA-N 404.514 5.365 0 40 HKAB Cc1ccc(CN2CCSCC2)cc1NC(=O)c1sc2cccc(F)c2c1C 58158592 MWZCQPYCLAFDRO-UHFFFAOYSA-N 414.571 5.458 0 40 HKAB Cc1ccc(-c2csc(NC(=O)CSc3nnc(-c4ccc(C)cc4)o3)n2)cc1 59212644 DPXZIXSTFGYGMH-UHFFFAOYSA-N 422.535 5.208 0 40 HKAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cccnc1SC(F)(F)F 84358184 CDLKJITVFPPRRG-UHFFFAOYSA-N 420.441 5.322 0 40 HKAB O=C(NCc1ccccc1)c1ccc2onc(-c3coc(-c4cccs4)n3)c2c1 96154380 YMWPYSBOFMPSJY-UHFFFAOYSA-N 401.447 5.141 0 40 HKAB COc1ccc(-c2csc(C3=C(O)CN([C@H](C)CCc4ccccc4)C3=N)n2)cc1 102734882 DBEDFVBZZHBPAX-MRXNPFEDSA-N 419.550 5.402 0 40 HKAB Cc1cccc(N/C=C2\C(=O)N(c3ccccc3C(F)(F)F)C(=O)c3ccccc32)c1 105904365 OXTYIIMPGTUGSJ-RGEXLXHISA-N 422.406 5.654 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCc2cccc(C)c2)cc1 107831567 RAZIOGBJHIYWOE-QFIPXVFZSA-N 420.534 5.342 0 40 HKAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCS[C@@H](c2ccccc2Cl)CC1 206991414 YAVJFJFPJKVWSN-QGZVFWFLSA-N 403.960 5.112 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1nc(-c2cccc(C)c2)no1 219343324 SCGHTQKNTASELU-NRFANRHFSA-N 415.493 5.014 0 40 HKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 222991265 KHURNUAZMQCSPC-OAQYLSRUSA-N 416.565 5.106 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)c1 224296531 ZOTQPMZEVKRSSZ-FCHUYYIVSA-N 404.583 5.432 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(CSc3ccccc3)c2)cc1 224330386 ATEWNLLWUFWAFF-UHFFFAOYSA-N 405.563 6.582 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCCC[C@@H]4C)cc3)CCCC2)c1 225509807 RICRTEYNGYTFLJ-QFIPXVFZSA-N 420.597 5.699 0 40 HKAB CN(C)CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1 225554025 SNUFCIALHRVNBX-UHFFFAOYSA-N 414.977 5.511 0 40 HKAB C[C@H]1C[C@H](C)CN(CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 225728330 IHFGLLGJMWRUNV-STQMWFEESA-N 407.933 5.013 0 40 HKAB COc1cccc(-c2nnsc2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 225766374 RVIGZJKXVUULBY-UHFFFAOYSA-N 413.808 5.138 0 40 HKAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 226282946 PRQCOFTYKRPKAN-UHFFFAOYSA-N 403.187 5.717 0 40 HKAB COc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)ccc1OCc1ccc(Cl)cc1 256027906 JKSVZQJUYPNYKH-UHFFFAOYSA-N 408.841 5.169 0 40 HKAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCC 408567891 QDUSBGOKTKLESJ-GZTJUZNOSA-N 417.505 6.318 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CSCC(=O)Nc1ccc(Cl)c(Cl)c1 408600906 GXJAIZUQOACIAC-UHFFFAOYSA-N 417.745 5.266 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2CCC3(CCN(Cc4ccccc4)CC3)CC2)cc1 408609171 OLLSMMXLCXXOEI-UHFFFAOYSA-N 404.598 5.503 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3)nc2-c2cccc(C)c2)cc1 408695279 PGULVXIZPXWZDT-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2F)cc1 409097498 IROQLGDILKLUKJ-UHFFFAOYSA-N 403.526 5.852 0 40 HKAB Cn1cc(-c2noc(C3CCCCC3)n2)c(=O)c2cc(F)c(N3CCCCCC3)cc21 1775967281 KRFKWNXBYQTNEE-UHFFFAOYSA-N 424.520 5.156 0 40 HKAB COC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccc(OC(C)C)cc1 679858 AMQBTNBMOLKSMI-UHFFFAOYSA-N 401.509 5.303 0 40 HKAB O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1cccnc1Cl 803421 YDFVZQDFUDDUCW-UHFFFAOYSA-N 400.290 5.917 0 40 HKAB CCOC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3ccccc3F)cc12 1448007 FLKBUIIRIIQLHM-UHFFFAOYSA-N 421.218 5.039 0 40 HKAB biogenic CCOc1ccccc1Oc1coc2cc(OC(=O)c3ccccc3F)ccc2c1=O 1448105 LCQQREIWIALRDQ-UHFFFAOYSA-N 420.392 5.342 0 40 HKAB biogenic CCOC(=O)c1c(Nc2cccc(O)c2)nnc(-c2ccccc2)c1-c1ccccc1 1911198 HACXRSOETIMJGJ-UHFFFAOYSA-N 411.461 5.437 0 40 HKAB CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O 2062870 KZQXAWYVLIUQBT-UHFFFAOYSA-N 420.292 5.531 0 40 HKAB CC(C)C[C@H](NC(=O)CCCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 2320360 RWDHRLIRKNUPLU-QHCPKHFHSA-N 420.553 5.137 0 40 HKAB CCCCCSc1nc2c(c(=O)n1-c1ccccc1)[C@](C)(CC)Cc1ccccc1-2 2358068 BGIKUPGOLZDKNN-AREMUKBSSA-N 418.606 6.406 0 40 HKAB Cc1ccc(C(=O)C[C@H](Sc2ccc(Cl)cc2Cl)c2ccccc2)cc1 2573033 BNOVNNWDBJTDBD-QFIPXVFZSA-N 401.358 7.408 0 40 HKAB CCOc1ccccc1Nc1nnc(SCC(=O)c2ccc(Cl)cc2)s1 2650068 LQKAJCVJCHVXQI-UHFFFAOYSA-N 405.932 5.309 0 40 HKAB O=C(CSc1nc(Nc2ccc3c(c2)OCO3)c2ccccc2n1)c1ccccc1 2948902 CKALQNVJYWMBOY-UHFFFAOYSA-N 415.474 5.077 0 40 HKAB Cc1cccc(Nc2nnc(SCCOc3ccc(Br)cc3)s2)c1 3294810 ZICKIVINXYYHOG-UHFFFAOYSA-N 422.373 5.524 0 40 HKAB Cc1ccc(-n2c(SC[C@@H]3CC3(Cl)Cl)nnc2-c2ccccc2)cc1C 3354004 MYFYPWDUWIDOCP-INIZCTEOSA-N 404.366 5.837 0 40 HKAB Cc1ccc(-c2nc(CSc3nnc(COc4cccc(C)c4)o3)cs2)cc1 3442451 WGIXFIBHZOPBMZ-UHFFFAOYSA-N 409.536 5.681 0 40 HKAB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)N[C@H](C)c1ccc(F)cc1 3457403 WTTNNYVIQCXPET-ZJUUUORDSA-N 406.832 5.251 0 40 HKAB CC(C)c1nc2sc3c(NC4CCCCC4)ncnc3c2c2c1COC(C)(C)C2 4360259 KTCSBHYAKINYCH-UHFFFAOYSA-N 410.587 5.959 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(-c3nnc(SCc4ccccc4)n3C)cc2)cc1 4703575 KUALMKKZAQEXCL-UHFFFAOYSA-N 414.534 5.335 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1 4812112 SDYOYTXCRLXSQR-AHWVRZQESA-N 412.533 6.235 0 40 HKAB O=C(NCCCCCCNC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 5513667 SHWMALCAIDXDLC-UHFFFAOYSA-N 423.344 5.497 0 40 HKAB CCOC(=O)[C@@H](CC)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 5700970 WPUQKPKJIVGHNO-HXUWFJFHSA-N 423.582 5.666 0 40 HKAB O=C(Oc1c(Cl)cc(Cl)c2ccccc12)N(c1ccccc1)c1ccccc1 5900710 XCBLNMGSTCJLIZ-UHFFFAOYSA-N 408.284 7.484 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 6306227 MNEPPTVPADWQAX-UHFFFAOYSA-N 409.338 5.918 0 40 HKAB CCc1ccc(NC(=O)[C@H](C)Sc2nnc([C@H](C)Oc3ccc(F)cc3)o2)cc1 6374506 DZTUEOVDQVHVCP-KBPBESRZSA-N 415.490 5.030 0 40 HKAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc2ccccc2c1 8071573 OZHWIXWJXNZYEH-UHFFFAOYSA-N 406.279 5.792 0 40 HKAB Cc1ccccc1/C=C/c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 9046750 BUBNDXVJVRNGQP-XNTDXEJSSA-N 417.306 5.627 0 40 HKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCc3ccccc3C2)cc1 9450380 ALHIXBKNOWFQEJ-UHFFFAOYSA-N 410.517 5.361 0 40 HKAB Cc1sc2nc(/C(Cl)=C/c3cc(Br)ccc3F)[nH]c(=O)c2c1C 9630457 MSJWLSIOYMBBSW-WDZFZDKYSA-N 413.699 5.240 0 40 HKAB O=C(CCNc1ccc(OCc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 12376538 AMDJWLCKPFDBBU-UHFFFAOYSA-N 407.513 6.618 0 40 HKAB CN(C)c1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3c2ccc2ccccc32)cc1 12485679 VCZYXKHHVHBVHY-UHFFFAOYSA-N 424.935 5.993 0 40 HKAB Cc1ccc(N2C(=O)/C(=C/Nc3cccc(C(F)(F)F)c3)c3ccccc3C2=O)cc1 12652840 SNLXORGPTUMPTO-KGENOOAVSA-N 422.406 5.654 0 40 HKAB Cc1ccccc1-n1c(SCC(=O)c2ccccc2)nnc1-c1ccc(Cl)cc1 13134050 FPZRVSAMYARMRJ-UHFFFAOYSA-N 419.937 5.871 0 40 HKAB COc1ccc(-c2[nH]c(-c3ccc(F)c(Br)c3)nc2-c2ccccc2)cc1 13534455 XQTYULZPLSANBU-UHFFFAOYSA-N 423.285 6.321 0 40 HKAB O=C(Cc1ccccc1)Nn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccccc1 16739988 QBCCPLQOVLUJLX-BZZOAKBMSA-N 419.937 5.415 0 40 HKAB CCN(CC)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(C)c1 17090995 RGFIORTZZSPPMA-UHFFFAOYSA-N 417.336 6.660 0 40 HKAB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1cccc(C(=O)O)c1 20150924 XJNJBBMOCGUOED-CSKARUKUSA-N 402.233 5.604 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c(OC)c1 21595668 HWGMRPRTDOCUAU-UHFFFAOYSA-N 422.868 5.726 0 40 HKAB CCc1cc2c(=O)n(Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)cnc2s1 25244096 FXCBWKYDZUJJBL-UHFFFAOYSA-N 421.469 5.211 0 40 HKAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(Cl)cc2)N1Cc1ccccc1 27460265 MIHPZRFHIJWLLW-QHCPKHFHSA-N 415.880 5.181 0 40 HKAB CCCOc1ccc(-c2csc(NC(=O)c3cccc(C)c3)c2C(=O)OC)cc1 28284357 HZCFYKBLGAKYCO-UHFFFAOYSA-N 409.507 5.551 0 40 HKAB O=C(CCC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 30367049 HORDOMILVPJGRM-GOSISDBHSA-N 420.734 5.429 0 40 HKAB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=O)N=C3O)c2C)cc1 33590810 GXPQIVGXKJFSKU-CPNJWEJPSA-N 417.440 5.048 0 40 HKAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H]2c2cccn2C)cc1Cl 57347708 DQANOALZNZNFCP-GGAORHGYSA-N 423.944 5.204 0 40 HKAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(Sc3ccccc3Cl)cc2)c1 58029495 RARASWMVSNJJFC-UHFFFAOYSA-N 417.939 5.147 0 40 HKAB C[C@H]1CC2=C(N=C3SCC(=O)N3[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 67172435 XELTXHVYKDGUON-VDKXSCDSSA-N 422.500 5.719 0 40 HKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(C)cc3C)oc12 67295624 SAVLLJBASINSDO-RFBIWTDZSA-N 413.477 5.246 0 40 HKAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)n2c(nc3ccccc32)N1 72332452 VQIQLVHPFRSPBO-OAQYLSRUSA-N 401.491 5.130 0 40 HKAB O=C(c1cnc(-c2ccsc2)s1)N1CCCCC[C@H]1C[C@@H](O)c1cccs1 79066523 ZXPDDHFMGLRFLX-JKSUJKDBSA-N 418.609 5.442 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc(Sc2ccc(Cl)cc2)cc1 100394217 LAKVKYNDFCWXOZ-SOXBMFEASA-N 407.922 5.049 0 40 HKAB Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccc3c(c1)OCO3)O2 106937234 QYAZPZSJUGNPES-CVDCTZTESA-N 404.853 5.311 0 40 HKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 223784928 YXGYGPANIJRTAS-RBUKOAKNSA-N 415.971 5.372 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 224188897 RYNQLVWESJRWCK-RPBOFIJWSA-N 409.570 5.635 0 40 HKAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 224339342 INNCBFUYEANIFO-UHFFFAOYSA-N 421.518 5.335 0 40 HKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 224439688 RSDLPTMCLCPHJA-XZOQPEGZSA-N 420.557 5.705 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225847697 YLBHMOVXDXRITE-SBUREZEXSA-N 407.551 5.355 0 40 HKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)c1 408612150 XRDAVZOOCADDRF-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408675833 LAUNPZYATRLSOT-UHFFFAOYSA-N 410.807 5.359 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2ccc(F)cc2)cc1 408698198 MBYZNGHYQPORQO-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1ccc(COc2c(Cl)cc(Cl)cc2CNc2cc(Cl)ccc2C)cc1 409114608 KMXOYOJOTGZZFC-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB CCOc1cc(CNc2ccc(CC)cc2)ccc1OCc1cccc2ccccc12 409118803 OJQIUMSWADYJOG-UHFFFAOYSA-N 411.545 6.992 0 40 HKAB O=C(C1c2ccccc2Oc2ccccc21)N1CCC[C@@H](Oc2ccncc2Cl)C1 575614129 WYISWVVTKWUCKH-MRXNPFEDSA-N 420.896 5.043 0 40 HKAB O=S(=O)(Cc1ccccc1)c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1 585152231 CYCNBJKGEAVCMA-UHFFFAOYSA-N 409.894 5.636 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cnn(-c2ccccc2)c1-c1ccccc1 632989 VLPQNNDFZJWMHS-UHFFFAOYSA-N 408.288 6.098 0 40 HKAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc(Cl)cc1 798523 JVVOAQONLZDJQB-UHFFFAOYSA-N 409.898 5.215 0 40 HKAB CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(C)cc1)C[C@H]2C(F)(F)F 867052 LMSOVKXUSILEMH-YUTCNCBUSA-N 414.859 5.034 0 40 HKAB O=C(Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCCCC1 1161079 UQCZVQNILRQKFC-UHFFFAOYSA-N 420.563 6.105 0 40 HKAB O=C(CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)Nc1ccc(F)cc1 1332734 OMCGNAIWAMUJBB-UHFFFAOYSA-N 413.543 5.317 0 40 HKAB CC(C)c1nc(SCC(=O)N2CCc3ccccc32)c2c3c(sc2n1)CCCC3 1378847 VIZHOYXFTSXZAV-UHFFFAOYSA-N 423.607 5.375 0 40 HKAB Cc1ccc(C(C)C)c(OCCn2cc(C(=S)N3CCOCC3)c3ccccc32)c1 2313602 CFFDAJQEHWCXOY-UHFFFAOYSA-N 422.594 5.160 0 40 HKAB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2CC(=O)c1ccc(F)cc1 2315038 UXIFGAFIWRRBEX-UHFFFAOYSA-N 415.580 6.592 0 40 HKAB CCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(-c4ccccc4)cc3)ccc12 2355710 DEONTVNAKZZRHI-UHFFFAOYSA-N 412.485 5.983 0 40 HKAB CCCCCOC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc12 2431862 WPAFWMNZCFXIDE-UHFFFAOYSA-N 402.498 5.120 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(NC(=O)Nc5nc6ccccc6s5)(C4)C2)C3)cc1 2684009 BENZZHQBODYQQS-FLCJAFJVSA-N 417.578 6.017 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCCc4ccccc4)ncnc32)cc1 2714967 HRHWTMSODSTPBW-UHFFFAOYSA-N 404.517 6.051 0 40 HKAB Cc1cccc(C(=O)NC[C@@]2(C)C[C@H](NC(=O)c3cccc(C)c3)CC(C)(C)C2)c1 2749059 QQTIKOPEHWBRTM-GJZUVCINSA-N 406.570 5.048 0 40 HKAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccccc1Br 3213511 OISALVDTOIANGY-UHFFFAOYSA-N 420.262 5.475 0 40 HKAB CCOc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccn2)cc1 3364704 LABBPDNWKIYTFW-UHFFFAOYSA-N 422.941 5.674 0 40 HKAB Cc1ccc(C(=O)Nc2nnc(SCc3cccc(C(F)(F)F)c3)s2)cc1 4078253 PCOOBRHEFHOHDY-UHFFFAOYSA-N 409.458 5.410 0 40 HKAB O=C(CSc1nnc(-c2cccc(F)c2)o1)N(C1CCCCC1)C1CCCCC1 4185883 HNEXRSGZSPENMM-UHFFFAOYSA-N 417.550 5.462 0 40 HKAB CCc1ccccc1NC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCC2 4211535 PZOGVYXPAWUKPQ-UHFFFAOYSA-N 404.535 5.233 0 40 HKAB Cc1ccc(CN2C(=O)[C@@](O)(c3c(C)[nH]c4ccccc34)c3cc(Cl)ccc32)cc1 4544068 BSAXKFRQWPLQAA-VWLOTQADSA-N 416.908 5.221 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1C 4682386 UUMDPABXMVYLDY-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB COc1ccc(OCCSc2nc3ccccc3n2CCOc2ccccc2)cc1 4725946 DKPKDNPOEUWWIW-UHFFFAOYSA-N 420.534 5.295 0 40 HKAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(F)c2)n2c(nc3ccccc32)N1 4742060 ZSDFRRSAEDBQTP-JOCHJYFZSA-N 416.431 5.242 0 40 HKAB CCCCC(=O)Nc1c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc2n1C 5205472 OHPWQNZBAGKFCR-UHFFFAOYSA-N 402.416 5.353 0 40 HKAB CC[C@@H](C)NC[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C)ccc21 5610865 UVKPBZRFTXPAQX-ZJSXRUAMSA-N 412.577 6.033 0 40 HKAB COc1ccc(C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)cc1 5670403 MAEVEGQVHKULCU-FOXOZBGHSA-N 422.528 6.132 0 40 HKAB C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1ccc(F)cc1 5866757 CRNZGIWRRUHUBA-AWEZNQCLSA-N 414.506 5.302 0 40 HKAB COc1ccc(/C=C(/CC(=O)Nc2ccccc2)c2nc3ccccc3s2)cc1 6084636 HHHUVZZGCKJAIC-SDXDJHTJSA-N 400.503 5.874 0 40 HKAB aggregator Cc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c(C)c1 6478093 FYOVXMPUQAETAU-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB O=C(NCCCc1nc2ccccc2n1Cc1cccc(Cl)c1)C1CCCCC1 6752601 PAMSWLLBXKAFHR-UHFFFAOYSA-N 409.961 5.367 0 40 HKAB CC(C)C[C@@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccccc1 7427444 IBPMJAASDVWHSW-HXUWFJFHSA-N 420.538 5.214 0 40 HKAB Cc1occc1-c1nnc(Sc2c(-c3ccccc3)c3ccccc3[nH]c2=O)n1C 8135985 FBLFLOMHSJKIDP-UHFFFAOYSA-N 414.490 5.043 0 40 HKAB COc1cccc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccc(F)cc1 8497386 GMHWSBCZDCKNQD-DPDSROAVSA-N 423.572 6.108 0 40 HKAB O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccc(F)c2)N1c1ccc(Cl)cc1 8715648 HAUOPYAKJVGAHH-QFIPXVFZSA-N 403.844 5.619 0 40 HKAB Cc1cc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)c(Cl)c2)no1 8860955 NJLOLPMYZRMFNG-UHFFFAOYSA-N 418.309 5.225 0 40 HKAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1 9198973 BNTOYHVYNDIYBZ-UHFFFAOYSA-N 408.310 5.006 0 40 HKAB Cc1ccccc1Nc1nc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cs1 9594315 BMLCCKFLEBVRLG-UHFFFAOYSA-N 424.507 5.266 0 40 HKAB Clc1cc(Cl)c(OCc2nc(-c3ccc(Br)o3)no2)cc1Cl 12374944 WXTOXUANCSCWRK-UHFFFAOYSA-N 424.465 5.631 0 40 HKAB O=C(CCc1c[nH]c2ccccc12)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 12790050 JTTQLZVZNOSTIB-OAQYLSRUSA-N 413.546 5.592 0 40 HKAB CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC)c1ccccc1C 12805801 MWYICYSEBWYZJE-UHFFFAOYSA-N 414.962 5.072 0 40 HKAB COc1ccc(-c2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1Br 12844845 SAVZGZNGEJRHDA-UHFFFAOYSA-N 417.328 5.071 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1ccc(Br)cc1)c1ccccc1 13134158 SOFOWRSWHWYNGQ-JOCHJYFZSA-N 422.347 6.647 0 40 HKAB COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc(C)c2)cc1 13646320 YOHNOJZADAHMGO-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB O=C1CS[C@@H](c2ccc(Br)cc2)N1c1ccc(Cl)c(Cl)c1 15014117 WRGQSXNAJBDKQK-HNNXBMFYSA-N 403.128 5.535 0 40 HKAB CCc1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)c2ccccn2)cc1 15669873 JTGIQZNDJLKRLZ-UHFFFAOYSA-N 418.880 5.251 0 40 HKAB COc1cccc(CNc2ccc(Br)cc2)c1OCc1ccc(F)cc1 16228227 OIMPHGIALQZAIZ-UHFFFAOYSA-N 416.290 5.788 0 40 HKAB CCN(Cc1nc(-c2ccccc2Cl)no1)Cc1ccc(Br)s1 16349882 KOIRBLSBHCYSMS-UHFFFAOYSA-N 412.740 5.236 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(C2SCCS2)c1 16496819 GXDBOGATDXKTIQ-HXUWFJFHSA-N 410.564 5.068 0 40 HKAB COc1cccc(-c2cc(O)nc(SCc3nc(-c4ccc(C)cc4)oc3C)n2)c1 16840779 YSFNQDNPDYGHEH-UHFFFAOYSA-N 419.506 5.422 0 40 HKAB CC(C)C(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3cc(C(C)C)ccc3o2)c1 17090451 YLOGOZKKBNUJJV-UHFFFAOYSA-N 415.946 5.741 0 40 HKAB c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCN(Cc4cccnc4)C3)n2)cc1 19373148 LIZHTANQAKYFBC-JOCHJYFZSA-N 422.536 5.057 0 40 HKAB CN(C)c1ncc(-c2cccc(Cl)c2)c([C@H]2CCCN2C(=O)C2CCCCC2)n1 19689613 GRWNJORHMMUFBI-HXUWFJFHSA-N 412.965 5.107 0 40 HKAB CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)CC3CCCC3)cc(C(F)(F)F)c12 19742404 WGDOISZFOMJBOJ-MRXNPFEDSA-N 423.483 5.041 0 40 HKAB CC(=O)c1cccc(NC(=O)Nc2c(C)nn(Cc3ccc(F)cc3Cl)c2C)c1 20541178 BYMLPGDTTVSFEP-UHFFFAOYSA-N 414.868 5.187 0 40 HKAB Cc1ccccc1[C@H]1CC(=O)c2c(C)nc(Nc3nc(C)c4ccccc4n3)nc2C1 20634886 FHEJUJIEIRGYPS-QGZVFWFLSA-N 409.493 5.001 0 40 HKAB CCc1ccc2oc(-c3ccc(NC(=O)c4ccc5nsnc5c4)cc3)nc2c1 21595968 HIXNLWFYKKFIEI-UHFFFAOYSA-N 400.463 5.314 0 40 HKAB C[C@H](c1ccccc1)N(C)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 25616728 VUHRNIBMBUHYSF-CQSZACIVSA-N 404.457 5.591 0 40 HKAB CN(C)[C@@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccccc1 25712375 MDOKFBOHQKGIFR-QHCPKHFHSA-N 411.505 5.041 0 40 HKAB CCOc1cccc(C(=O)Nc2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)c1 32623205 RCIFVGQBSMLDGV-UHFFFAOYSA-N 403.413 5.194 0 40 HKAB COc1cc(Cl)c(C)cc1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 40478303 ZDSSCTCXURTUJQ-UHFFFAOYSA-N 420.694 5.062 0 40 HKAB Brc1ccc2c(Br)c(OCC[C@@H]3CCCNC3)ccc2c1 42770332 WAQLMQPXDFRIID-LBPRGKRZSA-N 413.153 5.133 0 40 HKAB O=C(CSC1=NC2(CCCC2)N=C1c1cccs1)Nc1ccc(Cl)cc1 46022443 RRHDFQVKWCDKPS-UHFFFAOYSA-N 403.960 5.245 0 40 HKAB Cc1sc(CNC(=O)N2CCC[C@@H]2c2ccncc2)nc1-c1ccc(Cl)cc1 56790930 XEAPCIMGCUTOLV-GOSISDBHSA-N 412.946 5.214 0 40 HKAB Cc1nc2ccc(C(=O)N(C3CC3)[C@H](C)c3cccc(C(F)(F)F)c3)cc2nc1C 58392635 KWHOPTGYRXDCDJ-OAHLLOKOSA-N 413.443 5.631 0 40 HKAB CSc1ccc(/C=C2/SC(=O)N(CNc3cccc(Cl)c3C)C2=O)cc1 59457329 OFHDXWDNRKMDBA-LICLKQGHSA-N 404.944 5.476 0 40 HKAB CCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(F)c(Cl)c2)s1 71326552 HONVBMBCKYTZGF-UHFFFAOYSA-N 403.910 5.480 0 40 HKAB CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)c1ccc(-c2ccccc2)cc1 71980477 PGODKOUPHFLYJO-GUXMJAIHSA-N 421.537 5.212 0 40 HKAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2Cc2cccc(C)c2OC)n1 72390692 KQGOXIQFDIRMGT-HSZRJFAPSA-N 416.569 5.535 0 40 HKAB Cc1c(Br)c(N)c(Br)c2nc(-c3ccc(C(C)C)cc3)oc12 73639351 IDYANYVOQXQZRU-UHFFFAOYSA-N 424.136 6.034 0 40 HKAB CCCCSc1nnc(NC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)s1 80344175 ZKNMGDYAQGMQKC-STQMWFEESA-N 402.372 5.479 0 40 HKAB COC(=O)c1cn(C(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c2ccccc12 222571621 YXZJPDMCGPBAJQ-HMMYKYKNSA-N 415.876 5.962 0 40 HKAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222801324 OWEIMURTPBYQLS-RBUKOAKNSA-N 415.971 5.472 0 40 HKAB Cc1cc(C)cc(CC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCCC2)c1 224731873 MVAFAHASCMFVEO-QFIPXVFZSA-N 420.597 5.021 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)c1 225700077 IJDUETIBTVQVLS-OAQYLSRUSA-N 424.953 5.511 0 40 HKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1ccccc1Br 225828144 KQXNCEVZDBNFPN-UHFFFAOYSA-N 422.282 5.224 0 40 HKAB Cc1c(I)cccc1-c1nc2cc(-n3cccc3)ccc2o1 226248394 QZBUCSPXBPKMFW-UHFFFAOYSA-N 400.219 5.199 0 40 HKAB Cc1c(Cl)cccc1-c1ccc(C(=O)Nc2ccc(Br)cc2N)o1 226348339 VYQSZVGYCYJRQH-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB CC(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cc1 253497914 ZONPAOQEAXCIKO-IVJNKAGBSA-N 422.653 6.568 0 40 HKAB O=C(c1ccccc1-c1ccccc1)N1CCC2(CC1)C[C@H](Oc1ccccc1)CO2 257240083 HRZCFUSJISVMEF-QHCPKHFHSA-N 413.517 5.196 0 40 HKAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260814507 KAMVYTHOCWZQRY-GBXCKJPGSA-N 404.595 5.111 0 40 HKAB O=C(NCc1ccccc1Cl)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408623379 SUXZHNNOZHWSGA-UHFFFAOYSA-N 423.299 5.412 0 40 HKAB Cc1c(Cl)cccc1NCc1c(OCc2cccc(F)c2)ccc2ccccc12 409112811 CCEZIGYIHNFUGJ-UHFFFAOYSA-N 405.900 7.132 0 40 HKAB CCOc1cc(CNc2cccc(C)c2C)ccc1OCC(=O)Nc1cccc(C)c1 409253393 BECBZDJTHWTKNR-UHFFFAOYSA-N 418.537 5.640 0 40 HKAB CCOc1c(Br)cc(C(=O)Nc2ccccc2C(F)(F)F)cc1OC 409367788 GKOHFQWXRZFFKU-UHFFFAOYSA-N 418.209 5.128 0 40 HKAB CC1CCC([C@H](CNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)CC1 685945056 RFXOHMFUAMVCOF-ACBHZAAOSA-N 421.537 5.442 0 40 HKAB CC(C)OC(=O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cc1 658447 AMGAYBKZQLQNKD-UHFFFAOYSA-N 401.462 5.613 0 40 HKAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N(C)C4CCCCC4)c3N2)cc1 674836 MYEXGHVYBQYSHA-MOPGFXCFSA-N 420.479 5.257 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 867613 USLSFCUVKHKBCF-UHFFFAOYSA-N 424.913 5.220 0 40 HKAB O=C1c2ccccc2N[C@@H](c2ccc3cccnc3c2)N1c1cccc(C(F)(F)F)c1 1072796 VVYBDEAKSJUUBB-JOCHJYFZSA-N 419.406 6.025 0 40 HKAB Cc1cc(C)c(C)c(Cn2c([C@H]3CC(=O)N(c4ccccc4)C3)nc3ccccc32)c1C 1448233 GPIVKKMUNCLQGL-QFIPXVFZSA-N 423.560 5.839 0 40 HKAB CCCc1ccc(C(=O)N2c3c(C)cccc3[C@@H](Nc3ccccc3C)C[C@H]2C)cc1 1816163 KFIOUAKHOAUKID-RLWLMLJZSA-N 412.577 6.848 0 40 HKAB FC(F)(F)c1ccc(-c2nnc3sc(-c4ccccc4C(F)(F)F)nn23)cc1 2182966 FJFGLFRKXHENMS-UHFFFAOYSA-N 414.334 5.557 0 40 HKAB Brc1ccc(CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1 2208383 REGMWIPFQYZKKC-UHFFFAOYSA-N 423.339 5.384 0 40 HKAB O=c1c2ccccc2nc(SCc2cccc(Br)c2)n1-c1ccccc1 2262320 MGXVGFAGDAMCQX-UHFFFAOYSA-N 423.335 5.441 0 40 HKAB C[C@@H](NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1 2644439 PXWGMONQRGUONP-OAHLLOKOSA-N 405.548 5.328 0 40 HKAB COc1cccc(NCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c1 2887619 PSKRPYSLTUAFIY-UHFFFAOYSA-N 422.337 5.100 0 40 HKAB COc1ccc(-c2cc(C(=O)N[C@H](C)CCc3ccccc3)c3ccccc3n2)cc1 3037530 HGANJZQJPUPDQW-LJQANCHMSA-N 410.517 5.662 0 40 HKAB O=P1(Nc2ccc3c(c2)OCCO3)C=C(c2ccccc2)OC(c2ccccc2)=C1 3205466 CNZMNDKXDHQUCD-UHFFFAOYSA-N 417.401 6.175 0 40 HKAB CCCCNC(=S)NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1 3205844 KMNUPURNZAFLLX-UHFFFAOYSA-N 413.483 5.061 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3ccccc3Cc3ccccc3)sc2C)cc1 3284884 JRVDBIAAKWABCF-UHFFFAOYSA-N 414.530 5.970 0 40 HKAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)c1 3363776 WWVQWEWENBHXTC-UHFFFAOYSA-N 405.548 5.588 0 40 HKAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Sc1ccc(C)cc1C 4014185 BMGZDHKZPXDXSP-UHFFFAOYSA-N 405.441 6.198 0 40 HKAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1ccc(C(=O)c2ccccc2)cc1 4071185 KYUHUCNLMUSJRK-UHFFFAOYSA-N 410.498 5.392 0 40 HKAB O=C(CCSc1ccccc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 4167557 BSXWYIBJAOJRQG-UHFFFAOYSA-N 416.571 6.598 0 40 HKAB Clc1ccc(CO[C@@H](c2ccc(Cl)cc2)c2ccccc2-n2ccnc2)cc1 4620620 MZGOORDLDQZGPD-QHCPKHFHSA-N 409.316 6.485 0 40 HKAB CC(C)CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1 4875268 VEPCZWUVJAQULO-UHFFFAOYSA-N 409.479 5.201 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc(F)cc2)cc1 5164207 ZNMDYRBJLIGPMV-DEVHLRFTSA-N 421.556 5.857 0 40 HKAB [O-][n+]1onc(C(c2ccccc2)c2ccccc2)c1C(c1ccccc1)c1ccccc1 5296897 YOFLPWXJHUSMCS-UHFFFAOYSA-N 418.496 5.668 0 40 HKAB OC1=Nc2c(cnn2Cc2ccccc2)[C@H](c2ccc(Br)cc2)SC1 5478467 JATJMPKPYNMGHJ-SFHVURJKSA-N 414.328 5.118 0 40 HKAB CCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)Cc2ccccc2)c2ccccc21 5485973 SLNSERRUCFDIAS-NBGIEHNGSA-N 412.533 5.539 0 40 HKAB O=C(CSc1ccc2ccccc2n1)Nc1ccccc1C(=O)Nc1ccccc1 5627119 PASPMXIHRRLMFQ-UHFFFAOYSA-N 413.502 5.218 0 40 HKAB O=C(c1ccc(F)cc1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 5734480 NKELGKZCMVRODQ-PACHTINGSA-N 410.492 6.263 0 40 HKAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)c(OC)c1 6642149 KHTQBWLJEZPZAP-OMZFVACUSA-N 407.554 5.085 0 40 HKAB biogenic Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccccc1N1CCCC1 6822611 CLRZBYMZLLETRB-UHFFFAOYSA-N 408.933 5.054 0 40 HKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)cc1 7881817 JHZAJTZQTFMFER-LJQANCHMSA-N 400.478 5.087 0 40 HKAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1Cl 8209173 LRTXMCGWOUDFJB-UHFFFAOYSA-N 415.276 5.507 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1C 8494887 SETAHXISOFOKPV-UXHICEINSA-N 416.521 5.200 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 8590865 XATMTMGMPUOYMS-UHFFFAOYSA-N 404.491 5.541 0 40 HKAB O=C1Nc2ccccc2/C1=C\c1cc(Br)ccc1OCc1ccc(F)cc1 9296324 BNYFMRMGMKHGDV-XDHOZWIPSA-N 424.269 5.660 0 40 HKAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccc(Cl)cc1F 9440116 VACMTSJMBDAJNL-UHFFFAOYSA-N 416.232 5.282 0 40 HKAB CC(=O)[C@@H](CC(=O)N(C)C(c1ccccc1)c1ccccc1)c1nc2ccccc2o1 9537013 UGKKCCBYFYIHBP-OAQYLSRUSA-N 412.489 5.139 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3ccc(OC)cc3)C[C@H]21 10215660 XXDXXNVXWIGLKQ-NFBKMPQASA-N 406.507 5.398 0 40 HKAB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1cccc(C(F)(F)F)c1 11667083 IEPPLKBOXAGYFL-UHFFFAOYSA-N 423.847 5.544 0 40 HKAB CCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 12192246 SPPJASBVBZPPEC-XNMGPUDCSA-N 412.533 6.416 0 40 HKAB O=C(NCc1ccccc1Cn1ccnc1)[C@H](Sc1ccccc1)c1ccccc1 12535499 ABJZXMIUMKWCCK-XMMPIXPASA-N 413.546 5.081 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(C(F)(F)F)cc(=O)oc2c1 13038952 MEYPZFNZXAQUNV-UHFFFAOYSA-N 419.399 5.261 0 40 HKAB COc1cc(/C=C/C(=O)Oc2cccc(Cl)c2Cl)cc(Cl)c1OC(C)C 13069525 DUXMQCBGSDDPIS-BQYQJAHWSA-N 415.700 6.061 0 40 HKAB C[C@H]1CN(C)[C@@H](C)c2c1oc1ccc(NC(=O)c3ncoc3-c3cccs3)cc21 13565400 NATIKTRDTUWVJS-STQMWFEESA-N 407.495 5.512 0 40 HKAB O=C(COC(=O)c1c2c(nc3ccccc13)CC[C@H](c1ccccc1)C2)c1ccccc1 13575326 YEDIRHDVUCPYKA-NRFANRHFSA-N 421.496 5.547 0 40 HKAB O=C(Nc1ccccc1Br)c1ccc(OCc2ccccc2Cl)cc1 13687496 GHPGGGMNMIOJOM-UHFFFAOYSA-N 416.702 5.934 0 40 HKAB COc1cccc(C(=O)Nc2ccc3c(C)c(C(=O)c4cccc(OC)c4)oc3c2)c1 15729374 IUCQXVCTPGXMAR-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB biogenic Cc1cccc(OCc2nc3ccccc3n2C[C@H](O)COc2ccc(Cl)cc2)c1 15860775 JVNHWTNIOXZDFM-IBGZPJMESA-N 422.912 5.017 0 40 HKAB CCOc1ccc(/N=c2\scc(-c3ccc(OC(F)F)cc3)n2CCOC)cc1 15980634 FSHAIHOHWZBKGA-FLFQWRMESA-N 420.481 5.096 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3cc(C)cc(C)c3C)ccc21 20492429 PUWLKNUMBDZYRL-IBGZPJMESA-N 400.522 6.146 0 40 HKAB Cc1ccccc1-n1cc(-c2ccccc2)c2c(N3CCc4ccccc4C3)ncnc21 21798043 HLKMJVVGFPMMRB-UHFFFAOYSA-N 416.528 5.959 0 40 HKAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(O)c(Cl)c1 29793815 YMANHEWLIKCKAT-UHFFFAOYSA-N 412.820 5.364 0 40 HKAB CCOc1ccccc1NC(=O)COc1cc(-c2ccccc2)nc2ccc(F)cc12 32985812 FULFJVFPQPUFFQ-UHFFFAOYSA-N 416.452 5.457 0 40 HKAB CC(C)(C)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3F)sc2c1 33000533 YNJXYMBVHQUACH-UHFFFAOYSA-N 417.531 5.151 0 40 HKAB Clc1ccc(-c2cc(-c3nc(-c4ccc(Br)cc4)no3)[nH]n2)cc1 35504146 XFMNULZGMOWWPG-UHFFFAOYSA-N 401.651 5.210 0 40 HKAB OC1=Nc2ccc(Br)cc2[C@@H](c2ccccc2)N(Cc2ccccc2)C1 36512055 MKUMZLZNDWDFBH-JOCHJYFZSA-N 407.311 5.642 0 40 HKAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3N[C@@H](c3ccc(F)c(F)c3)N1CC2 36735069 CPQKGOHIFYQAKA-BJKOFHAPSA-N 408.448 5.054 0 40 HKAB COc1ccccc1-n1c(C)nnc1S[C@H](C(=O)c1ccccc1)c1ccccc1 40158807 PZQCGMRDKIRWLL-QHCPKHFHSA-N 415.518 5.301 0 40 HKAB Cc1nn2c(ncc3c(=O)n(CCC4=CCCCC4)ccc32)c1-c1ccc(Cl)cc1 40397611 FTUUYTICDZMJQQ-UHFFFAOYSA-N 418.928 5.564 0 40 HKAB Cc1ccc(Sc2oc(-c3ccccc3)nc2-c2nnc(-c3ccccc3)o2)cc1 41154335 ONHWCSBXTLEOFR-UHFFFAOYSA-N 411.486 6.518 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)c1 59694950 GVGZPXSTXXXDNX-UHFFFAOYSA-N 419.956 5.223 0 40 HKAB Cc1cc(SCC(=O)Nc2cc(Cl)ccc2C)nc(-c2cccc(F)c2)n1 67257349 FJALLKMOVSNCET-UHFFFAOYSA-N 401.894 5.284 0 40 HKAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2cccc(C)c2C)nc1 67295170 LSXJLFCYEPYLTF-PNHLSOANSA-N 417.896 5.891 0 40 HKAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2cccc(C)n2)c(Cl)c1 67296835 LPMRRRGDCGBUFW-RWEWTDSWSA-N 403.869 5.583 0 40 HKAB Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)Nc3ccccc3C)CC2)c1 96183772 JBFQTKFVWRFQOC-SANMLTNESA-N 413.565 5.551 0 40 HKAB Cc1ccc([C@@H]2CC3=Nc4nc5ccccc5n4[C@H](c4cccs4)C3=C(O)C2)cc1 102668967 BSEPXSIDYYHJIY-MZNJEOGPSA-N 411.530 6.471 0 40 HKAB COc1ccccc1[C@@H]1C2=C(O)C[C@@H](c3ccc(O)cc3)CC2=Nc2onc(C)c21 102731635 ROGOAEAYQCQEIE-NYHFZMIOSA-N 402.450 5.305 0 40 HKAB Clc1ccc([C@@H](Cn2ccnc2)OCc2cc(Cl)ccc2Cl)c(Cl)c1 202419098 UXZDCVPAHZEYLF-GOSISDBHSA-N 416.135 6.455 0 40 HKAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CN2CCc3ccccc3C2)cc1 216302333 KESIYPJTCPADMY-UHFFFAOYSA-N 404.941 5.171 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)cc1 223022441 PZENFMQUXLBQBO-HXUWFJFHSA-N 403.906 5.401 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(SCC(C)C)s1 223609393 YULWMZFSKJYCQK-KRWDZBQOSA-N 401.557 5.236 0 40 HKAB O=C(COc1ccc2c(c1)CCCC2)NCCSCc1ccc(Cl)c(Cl)c1 224257064 DNMOLXGTTXGIEZ-UHFFFAOYSA-N 424.393 5.301 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccc2ccccc2c1 224312288 XJKJRCVFSWSOSE-UHFFFAOYSA-N 417.892 6.333 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1COC(C)C 224721635 ZVTPLSJBAYZQSZ-UHFFFAOYSA-N 405.494 6.055 0 40 HKAB COc1ccc2oc(=O)c(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2c1 226038503 FYXLUTHKRFYZDV-UHFFFAOYSA-N 421.836 5.500 0 40 HKAB O=C(c1ccc(-c2ccccc2F)o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363160 KPSIOOQISCFTLN-UHFFFAOYSA-N 421.880 7.182 0 40 HKAB COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)cc1 253534299 MDGYGSZQYJUTBN-VNYFHDOISA-N 408.582 5.373 0 40 HKAB O=C(c1ccc2[nH]ccc2c1)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 257286467 PLRODAPIWLSHKD-FQEVSTJZSA-N 415.924 5.903 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2cccc(C)c2C)cc1 408698998 QTBPKTLRXATNCS-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(C)ccc3C)n2)cc1 408699808 WJBVZQNWOWAIIF-UHFFFAOYSA-N 414.484 5.505 0 40 HKAB CCc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409063767 MXASPCMTWRKGCR-UHFFFAOYSA-N 412.533 5.407 0 40 HKAB CCCc1sc2nc(Sc3ccccn3)n(-c3ccc(OC)cc3)c(=O)c2c1C 409116111 KREVEBXIZSQPIX-UHFFFAOYSA-N 423.563 5.263 0 40 HKAB Cc1cccc(C)c1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409129910 LFIVQOVFNUYDPB-OPZZSQNSSA-N 422.572 6.852 0 40 HKAB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1Cc1cccc(Br)c1 409150682 DMMXLATXCDTDGW-OQLLNIDSSA-N 408.704 5.339 0 40 HKAB Cc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(C)c(C)c3)n2C)cc1 409196898 ZWZYAOHCTPMHQB-RQZHXJHFSA-N 412.558 6.087 0 40 HKAB CCCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCCC2 727322 JZQMZSMDPMTWID-UHFFFAOYSA-N 421.360 5.380 0 40 HKAB CC(=O)N1c2ccccc2[C@H](N(C(=O)Cc2ccc(F)cc2)c2ccccc2)C[C@@H]1C 822379 JJZVHAROZSZJEF-AVRWGWEMSA-N 416.496 5.288 0 40 HKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCC[C@@H]1C 901023 YTEYXDRXXYVWMG-KBPBESRZSA-N 409.477 5.044 0 40 HKAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(Cl)cc3C)c2c1 952888 SJUFMHDMONFUOZ-UHFFFAOYSA-N 412.873 5.294 0 40 HKAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1 1352796 TUMGTTHTRGSDLS-UHFFFAOYSA-N 421.884 5.317 0 40 HKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccc(F)cc3)cc12 1371647 FFVOHJPZYDXMOT-UHFFFAOYSA-N 419.456 5.111 0 40 HKAB CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)c1 2062629 XRIOHCPMAUWNLL-UHFFFAOYSA-N 414.505 6.443 0 40 HKAB aggregator C[C@@H]1CCCc2sc3nc(SCC(=O)c4ccc(Cl)cc4)nc(N)c3c21 2305564 XHULXKNBKFHFAH-SNVBAGLBSA-N 403.960 5.342 0 40 HKAB CCCCn1nc(NC(=O)c2ccccc2OCC)c2cc3cccc(C)c3nc21 2333308 PXBRDKHTFZZTLU-UHFFFAOYSA-N 402.498 5.344 0 40 HKAB CCn1c(NC(=O)c2ccc(C)cc2)c(-c2ccc(OC)cc2)c(=O)c2ccccc21 2431274 NFGFATWJGOSKTO-UHFFFAOYSA-N 412.489 5.258 0 40 HKAB Cc1cc(C)cc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)c1 3012940 IWODOQXIBVYLKE-RDJZCZTQSA-N 404.392 5.006 0 40 HKAB Cc1ccc(C(=O)c2ccccc2C(=O)OCc2csc(-c3ccccc3)n2)cc1 3286446 OWYRYKFNKNYNIN-UHFFFAOYSA-N 413.498 5.707 0 40 HKAB O=c1cc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)nc2sccn12 3413991 GBMFEPGOYCAILW-UHFFFAOYSA-N 417.515 5.370 0 40 HKAB Cc1ccc(N(C(=O)c2ccccn2)C2(C(=O)NC3CCCCC3)CCCCC2)cc1 3626068 VNKMPMDMXNIHHJ-UHFFFAOYSA-N 419.569 5.189 0 40 HKAB Cc1ccc2oc(C(=O)Nc3c(C(=O)c4ccccc4)oc4ccccc34)c(C)c2c1 3655593 QJYVFACZCQTIEM-UHFFFAOYSA-N 409.441 6.279 0 40 HKAB CCCn1c2ccccc2c2nnc(SCCCC(=O)c3ccc(F)cc3)nc21 4629021 MNJJSYUCIUHIKT-UHFFFAOYSA-N 408.502 5.284 0 40 HKAB C[C@H](NC(=O)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2)c1ccccc1 4661115 NHDBOUACFMYXBR-KPICYQCZSA-N 422.572 6.474 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nnc2cc(C)c3ccccc3n12 4843538 IXIWZPQZBFTKJI-OAHLLOKOSA-N 404.539 5.435 0 40 HKAB CN(C)c1ccc([P@](=O)(OCc2ccccc2)[C@H](O)c2ccc(Cl)cc2)cc1 5026083 LZEPACNQJUHNGU-DWACAAAGSA-N 415.857 5.217 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)CCC(=O)CC[C@]12C 5029450 FREFZRPOTWOACU-MNLGBOCQSA-N 400.691 8.067 0 40 HKAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)N(C1CCCCC1)C1CCCCC1 5528412 RDGZMHHUXSDDFI-UHFFFAOYSA-N 423.586 5.092 0 40 HKAB Fc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)c(F)c1 5656625 TVJBPILDLCMUJL-UHFFFAOYSA-N 413.880 6.158 0 40 HKAB COc1ccc(C)cc1Nc1nnc(SCC(=O)c2c[nH]c3ccccc23)s1 5660201 CKDNYLFPYWCCND-UHFFFAOYSA-N 410.524 5.055 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)/C=C/c1ccccc1 5696850 YDLGPSRBKLWFAV-FKBWUDPFSA-N 406.610 7.044 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)cc1C 5925629 PMTULCPWDUWVBO-UHFFFAOYSA-N 414.939 6.248 0 40 HKAB Cc1cccc(-c2nnc(SCc3cc(C)ccc3C)n2-c2ccc(Cl)cc2)c1 6044747 IRLMUIMUCZGPTO-UHFFFAOYSA-N 419.981 6.805 0 40 HKAB C[C@H](NC(=O)c1ccc(COc2ccccc2)o1)c1cc(F)c(Cl)cc1Cl 6553536 QZCXEMXKDDFROQ-LBPRGKRZSA-N 408.256 5.796 0 40 HKAB CC[C@H](C)c1ccc(OC(=O)/C=C/c2cc3c(cc2Br)OCO3)cc1 6830102 TUHIXLJLYLNLHK-PPGNKHEKSA-N 403.272 5.310 0 40 HKAB O=C(c1cc2ccccc2o1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 6839497 FKWVFTMKBGSUJX-UHFFFAOYSA-N 411.501 5.221 0 40 HKAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N(Cc1ccco1)Cc1cccs1 6850967 XDUWYTLVUJZQFR-UHFFFAOYSA-N 403.507 5.247 0 40 HKAB Cc1ccc(Nc2nc(CSc3nnc(NCc4ccco4)s3)cs2)cc1 7161706 FNRGZFIREFMQRQ-UHFFFAOYSA-N 415.569 5.544 0 40 HKAB CCc1ccc(C(=O)C[C@@H](Nc2ccc(Cl)cc2)c2ccc(C(C)(C)C)cc2)cc1 8783312 NWMYXPKKGDXURB-RUZDIDTESA-N 419.996 7.626 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)c4cccc5ccccc45)ccc3o2)cc1OC 8903890 WFVKUXHUTUSBHJ-UHFFFAOYSA-N 424.456 5.918 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(Br)o2)cc1 8917406 WQRRJKWOPIAEDN-UHFFFAOYSA-N 424.250 5.580 0 40 HKAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c(C)c1 9272193 ZNSCVMFFEPDUNX-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB COc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2C)cc1 9374855 HZYDQIIALKPNFN-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SC[C@@H](O)c2ccccc2)c(C)c1 10227585 DMOXRACLQXMHFT-HSZRJFAPSA-N 415.562 5.301 0 40 HKAB Cc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)cc1NC(=O)c1ccco1 11452574 NKAFAWCDIUHNMF-UHFFFAOYSA-N 416.521 5.325 0 40 HKAB C[C@H](Sc1nnc(-c2ccc(Br)cc2)o1)C(=O)c1ccc(Cl)cc1 12499836 POSRRRADYBVANW-JTQLQIEISA-N 423.719 5.516 0 40 HKAB CCOc1cc(-c2ccc(OC)cc2)c/c(=N\c2cccc(C)c2)c2c(C)oc(C)c12 12658069 JHEVVWTXJZGWLK-ZZIIXHQDSA-N 413.517 6.665 0 40 HKAB biogenic O=C(O)c1cnn(-c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1C(F)(F)F 13396401 CMKANJNRUNRPLR-UHFFFAOYSA-N 415.396 5.380 0 40 HKAB O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)c1cccc(F)c1 14582297 VGCBTVIFKGDBKO-UHFFFAOYSA-N 414.314 5.529 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 14582690 RZWPMGQGWBBGFS-UHFFFAOYSA-N 419.959 5.280 0 40 HKAB Cc1cccc(Oc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)c1 15175139 WKAKEXCTWKKQPR-UHFFFAOYSA-N 423.563 5.353 0 40 HKAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 15176564 UWDCDQJYXOSEQN-UHFFFAOYSA-N 414.383 5.345 0 40 HKAB O=C(C1CCCC1)N1CCC[C@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 19687906 YSVGBHCKBXESME-NRFANRHFSA-N 402.460 5.545 0 40 HKAB CCN(C(=O)CSc1ncnc2sc(C)c(C)c12)c1nc2ccccc2s1 20048555 QHCXIBYHIXDNGV-UHFFFAOYSA-N 414.581 5.063 0 40 HKAB CSc1cccc(NC(=O)[C@@H]2CC(O)=Nc3cc(-c4ccc(Cl)cc4)nn32)c1 20733095 GLTPNFVBWDDELM-KRWDZBQOSA-N 412.902 5.097 0 40 HKAB CCOc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3CC)c(C)o2)cc1 23119029 LFGMWZBYAZJJOQ-UHFFFAOYSA-N 421.522 5.071 0 40 HKAB Cc1c(C(=O)Nc2ccc(SC(F)F)cc2)oc2ccc(Br)cc12 25390380 WOXXKTHDYHBKRV-UHFFFAOYSA-N 412.255 6.071 0 40 HKAB CC(=O)c1cccc(NC(=O)Nc2cccc(-c3noc(-c4ccccc4F)n3)c2)c1 28221746 XWLIVUKIWLMULW-UHFFFAOYSA-N 416.412 5.389 0 40 HKAB CCCCc1ccc2nc(NC(=O)COc3ccc(Br)cc3)sc2c1 32118753 UBCLFRYRQWJVKC-UHFFFAOYSA-N 419.344 5.419 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1 36616678 CTQUSADKWZZPMI-HXUWFJFHSA-N 402.542 5.070 0 40 HKAB CCCCCn1c(SCc2ccc(C(C)(C)C)cc2)nc2ccsc2c1=O 67259655 QTRCCZFMQYFEKF-UHFFFAOYSA-N 400.613 6.238 0 40 HKAB CSCC[C@H](NC(=O)c1nc(Cl)sc1C(C)C)c1nc2ccccc2[nH]1 96223175 BCNAVTWOVRUTBN-ZDUSSCGKSA-N 408.980 5.020 0 40 HKAB CC1(C)CC2=NC(Nc3nc4ccccc4o3)=N[C@@H](c3ccc(F)cc3)C2=C(O)C1 102678964 KQHOQQJYAYKPIU-FQEVSTJZSA-N 404.445 5.563 0 40 HKAB C[C@@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)[C@H]1C[C@H]2CC[C@H]1C2 103961970 BVAJBDQPCQRYPJ-CQIJRDABSA-N 414.549 5.882 0 40 HKAB CCOP(=O)(OCC)C(F)(F)[C@@H](O)c1ccc(OCc2ccccc2)cc1 140364141 ISUAYKFGGUHXTN-SFHVURJKSA-N 400.358 5.158 0 40 HKAB CC(C)Oc1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c2ccccc12 211507568 CPKJCSVSBJHIBR-BKUYFWCQSA-N 405.475 5.986 0 40 HKAB COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 214815482 FWQHSVYHOYAGRR-CXUHLZMHSA-N 422.289 5.017 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)cc1OCC 216266207 ZRMNDTAMCXLFCB-DNVCBOLYSA-N 405.922 5.172 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219389163 BSVLLARNLFEOSG-YLJYHZDGSA-N 407.963 5.495 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1cccc(C)c1 224389527 FVXXRLXEVWFQMU-UHFFFAOYSA-N 418.493 5.183 0 40 HKAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Cl)cc3Cl)o2)c(OC)c1 224867905 FGSLYTKQWKYDSN-UHFFFAOYSA-N 421.280 5.237 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 225035912 SMJQJOMWBXWPEX-OAHLLOKOSA-N 408.885 5.092 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)CCc2c(Cl)cccc2Cl)cc1OCC 225362840 SPJQHINNYVLFTR-CQSZACIVSA-N 410.341 5.601 0 40 HKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1c(F)cccc1F 225831827 SURBUXQTTSESBN-UHFFFAOYSA-N 405.404 5.253 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cn2c3c(cccc3c1=O)CC2 225861194 STDSSIPIINUXJU-UHFFFAOYSA-N 416.864 5.256 0 40 HKAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1)N2 226295484 JWMCNGZAHWTGLW-SRSDBTLWSA-N 412.508 6.375 0 40 HKAB O=C(N1CCC[C@H]1c1ccnc(-c2ccccc2)n1)C1(c2ccccc2F)CCCC1 257199895 ABEFWUNNSTXSES-QHCPKHFHSA-N 415.512 5.458 0 40 HKAB Cc1ccc2cc(C(=O)N3CCC[C@@H](c4ncc(Cc5cccc(F)c5)o4)C3)[nH]c2c1 257254642 KEBQCDDAGYURNB-LJQANCHMSA-N 417.484 5.214 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1 408588371 VTLBQOUXOCWPTH-UHFFFAOYSA-N 410.311 5.897 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)C(C)(C)C)ccc3o2)c(Cl)c1 408628696 WDPIJCIBKWTFGW-UHFFFAOYSA-N 401.919 5.316 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccccc2C)c1 408697353 GOIJZEDCFLTWSF-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COc1ccccc1OCc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)cc1 409176513 PTCCMFJTDWCJQH-UHFFFAOYSA-N 410.469 6.160 0 40 HKAB CCCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 409211855 NIEDFASCMWNYJP-BOPFTXTBSA-N 410.322 6.480 0 40 HKAB Nc1c(Br)cc(-c2nc3ccc(Cl)cc3s2)cc1Br 575414833 YVCVIXWYIYVILV-UHFFFAOYSA-N 418.541 5.724 0 40 HKAB Cc1ncsc1CN1CCC2(CC1)CO[C@H](c1ccccc1Cl)[C@@H](C(C)C)C2 1615157795 QJPMVUODWMILFV-DENIHFKCSA-N 419.034 6.121 0 40 HKAB Cc1ccc([C@H](Sc2ccccc2)[C@H](Cn2cncn2)C(=O)c2ccccc2)cc1 630084 WDHFAGNQZSUSBQ-NOZRDPDXSA-N 413.546 5.619 0 40 HKAB O=C(Nc1ccccc1Br)N(C1=NCCS1)c1ccc(Cl)cc1 1082581 LEMNUXXRFDWRLP-UHFFFAOYSA-N 410.724 5.244 0 40 HKAB CCCc1nc(SCC(=O)c2cc(OC)ccc2OC)c2c(C)c(C)sc2n1 1372183 DMNNJFOSJQFKMR-UHFFFAOYSA-N 416.568 5.253 0 40 HKAB O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCCN2c2ccc(C(F)(F)F)cc21 1385082 FFWWDUGLKYMYTQ-OAHLLOKOSA-N 414.349 5.353 0 40 HKAB Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(C)c5ccccc45)c3C)nc2c1 2050683 GMUYRXPHAGIZTQ-UHFFFAOYSA-N 406.485 6.826 0 40 HKAB CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccccc1 2193300 OGCXNCGINLAPHU-SETSBSEESA-N 422.509 6.140 0 40 HKAB CCOc1ccc(-c2cc(C(=O)Nc3c(C)cccc3C(C)C)c3ccccc3n2)cc1 2753343 HFNHCMQGJJQEBL-UHFFFAOYSA-N 424.544 6.985 0 40 HKAB O=C(CNc1cccc2ccccc12)Nc1ncc(Cc2cccc(Cl)c2)s1 2887532 KRICIBKHALTWBS-UHFFFAOYSA-N 407.926 5.591 0 40 HKAB Cc1ccc(-c2nc(-c3cc4cc(Br)ccc4oc3=O)sc2C)cc1 2964186 YMJUGQZPXALWIJ-UHFFFAOYSA-N 412.308 5.963 0 40 HKAB Fc1ccccc1N1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)CC1 3299322 LPBDCSACDWVBGW-UHFFFAOYSA-N 424.932 5.477 0 40 HKAB COc1ccc(Cl)cc1-c1nnc(SC)n1-c1ccc(Oc2ccccc2)cc1 3310227 KNEOBQSAYVIHFW-UHFFFAOYSA-N 423.925 6.111 0 40 HKAB c1ccc(-c2cnc(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)o2)cc1 3445301 OTYYDBQGHFSNOX-INIZCTEOSA-N 424.551 5.133 0 40 HKAB S=c1n(CN2CC[C@H](c3ccccc3)C2)nc(-c2ccccc2)n1-c1ccccc1 4624041 SIXDPQSPJIICJY-QFIPXVFZSA-N 412.562 5.517 0 40 HKAB CSc1ccc(-c2nc3ccc(Br)cn3c2Nc2ccc(C)cc2)cc1 4793984 YDWMXFWXXKIJFE-UHFFFAOYSA-N 424.367 6.538 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1Cc1ccccc1 4903428 TXWAWZJDRBQBJD-FQEVSTJZSA-N 415.924 5.254 0 40 HKAB CCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 4934736 HVJCKZFYZWPQOO-AXYOXNHISA-N 414.718 8.433 0 40 HKAB Cc1cc(C)c2nc(N(Cc3ccccn3)C(=O)CCOc3ccccc3)sc2c1 5265313 GLHPGCLMIOIADK-UHFFFAOYSA-N 417.534 5.310 0 40 HKAB CC(C)Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1 5452049 YURJFRWSWCBWMJ-UKILVPOCSA-N 402.469 5.855 0 40 HKAB C[C@@H]1CCc2c(oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc23)C1 5579144 HXUDQWVZYOSTKK-LLVKDONJSA-N 410.322 5.665 0 40 HKAB CC1=C(/C=C/C2=C/C(=C\C(=O)O)C[C@H](C3=C(C)CCCC3(C)C)C2)C(C)(C)CCC1 5812811 OSJIOOWZMIEHAZ-NRJYQVFPSA-N 408.626 7.943 0 40 HKAB O=C(/C=C/c1ccco1)NC(=S)Nc1nc(-c2cccc3ccccc23)cs1 5905300 HCWKOYGASNRSTG-ZHACJKMWSA-N 405.504 5.083 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1c(F)c(F)c(F)c(F)c1F 6610102 GYURXWVCZKBXCZ-UHFFFAOYSA-N 403.310 5.178 0 40 HKAB O=C(CSC1=NC2(CCCCC2)Nc2ccccc21)Nc1ccc(F)c(Cl)c1 6902050 IANDOTWGGQEINO-UHFFFAOYSA-N 417.937 5.684 0 40 HKAB Clc1ccc(Sc2cc(-c3nc4ccccc4s3)c3ccccc3n2)cc1 7655181 SDLCVEOGLDCTOW-UHFFFAOYSA-N 404.947 7.316 0 40 HKAB Cc1ccc(Cl)c(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)c1Cl 7922049 POJPRWPGPLOINT-LBPRGKRZSA-N 408.354 5.543 0 40 HKAB Cc1ccc(-c2cc(NC(=O)CN3CCC[C@H]3c3nc4ccccc4s3)on2)cc1 7987029 VJSWYHCKIUSDBN-IBGZPJMESA-N 418.522 5.035 0 40 HKAB CCOc1cc(/C=C/C(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1OC 8086220 YJZDTXIFPFMIRR-PKNBQFBNSA-N 422.550 5.123 0 40 HKAB COc1cc(CNC2C3CC4CC(C3)CC2C4)ccc1OCc1cccc(Cl)c1 8471868 HHNRWKGSOJWIBP-UHFFFAOYSA-N 411.973 5.842 0 40 HKAB COc1ccc(CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@H]2C)cc1F 8747885 VFLIVQZSQIUFOC-DNVCBOLYSA-N 412.534 5.531 0 40 HKAB Cc1cc(C)n2cc(CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)nc2n1 9167151 PXAINLBAJYPXAI-UHFFFAOYSA-N 424.533 5.157 0 40 HKAB Cc1ccc(C)c(NC(=O)c2c(N)c(C(=O)c3ccc(C)c(C)c3)n3ccccc23)c1 9316591 KBNHFBVYRNNDLV-UHFFFAOYSA-N 411.505 5.238 0 40 HKAB COc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc1 9660165 JHYLIIZVGQMBHS-UHFFFAOYSA-N 405.837 5.374 0 40 HKAB biogenic Clc1ccc(CNc2n[nH]c(NCc3ccc(Cl)cc3Cl)n2)c(Cl)c1 9847125 NOXPQWREQMFARQ-UHFFFAOYSA-N 417.127 5.643 0 40 HKAB CSc1nnc(S[C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)s1 10776562 CPMVVZWOSSSJDE-ZETCQYMHSA-N 404.464 5.182 0 40 HKAB Cc1ccc2cccc(OC(=O)c3ccccc3OCc3ccc(Cl)cc3)c2n1 12567076 RSQXSXZKEBEFCW-UHFFFAOYSA-N 403.865 5.995 0 40 HKAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1nc(-c2ccccc2)cs1 12617939 FLTVACYEMKTWMD-UHFFFAOYSA-N 411.433 5.315 0 40 HKAB O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(F)cc1Br 12692899 KXWLKMCMEATMJC-IBGZPJMESA-N 418.693 5.761 0 40 HKAB CCCCN(CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 12865636 FGNDTNHMDIFKKW-BYVFKEDWSA-N 418.666 5.183 0 40 HKAB biogenic COC(=O)c1occ(COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)c1C 13756416 KKKVBWDXVYYJDY-UHFFFAOYSA-N 424.836 5.380 0 40 HKAB CCOC(=O)Nc1ccc(C(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 15581343 OYMOIRPUEOYOJP-UHFFFAOYSA-N 404.422 5.415 0 40 HKAB COc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)ccc1OCc1cccc(C)c1 16349265 KTLOZJOJDKIMKR-VLTVRWITSA-N 419.609 6.421 0 40 HKAB Fc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2cc(Cl)ccc2Cl)cc1 16401258 KFXMKTPUXYHZHD-HXUWFJFHSA-N 419.714 7.142 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)n1c(-c2ccc(Cl)cc2)cc2ccccc21 16777015 ZBWZYGXLOYJYOI-UHFFFAOYSA-N 415.707 7.349 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)c1 17026268 ZYJQSHMTPVRDQM-UHFFFAOYSA-N 422.941 5.397 0 40 HKAB Cc1cc(C)c2nc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)sc2c1 17090983 ILQGUAXZRKXBSX-UHFFFAOYSA-N 417.317 6.732 0 40 HKAB COc1ccccc1-c1nn(Cc2ccccc2C)c(-c2ccccc2OC)c1Cl 17091715 BFIXCDXAMPIYRN-UHFFFAOYSA-N 418.924 6.244 0 40 HKAB Cc1csc(SCc2ccc(C(=O)N(C)CCOc3ccc(F)cc3)cc2)n1 17642957 XGJQUUSVTPUFJD-UHFFFAOYSA-N 416.543 5.034 0 40 HKAB COc1ccc(C(=O)N2CCC[C@H]2c2cc(-c3ccccc3)cc(C)n2)c(OC)c1 19690740 UDUKFXCYBVYFMS-QHCPKHFHSA-N 402.494 5.052 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 20143979 SKSNMFBAWYZKIG-UHFFFAOYSA-N 413.901 5.407 0 40 HKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1cccc(F)c1 21005558 DZJBGWFEGZTDKK-QHCPKHFHSA-N 413.452 5.165 0 40 HKAB Cc1noc(C)c1CN(C(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccccc1 22283459 SVNUYXQCQKSXHN-UHFFFAOYSA-N 419.456 5.252 0 40 HKAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(NC(=O)CC(C)C)cc3)ccc2c1 24778645 WVQZOOFYFFNCQQ-QGZVFWFLSA-N 404.510 5.575 0 40 HKAB COc1ccc(CN(C(=O)c2sc3ccccc3c2Cl)c2ccccn2)cc1 27793964 WFZQNPPGILKUIZ-UHFFFAOYSA-N 408.910 5.805 0 40 HKAB COc1ccc(-n2c(CSc3nccc(C(F)(F)F)n3)nc3ccccc32)cc1 28190422 OAVJAOARYVZPAE-UHFFFAOYSA-N 416.428 5.135 0 40 HKAB CCc1cccc2c(C(=O)[C@@H](Sc3nnc(CSC)o3)c3ccccc3)c[nH]c12 29917356 ZHNKZACROWXUKJ-NRFANRHFSA-N 423.563 5.693 0 40 HKAB Cc1c(-c2cccc(Cl)c2)nn2c1N=C(O)C[C@H]2C(=O)Nc1cccc(Cl)c1 32096567 ARJPMUVZOWIHIU-INIZCTEOSA-N 415.280 5.337 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(C)cc4C)cc3)n2)cc1 32578472 LHQRYTIYCIJFDM-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(F)c4C)cc3)n2)cc1 32578869 ZWBOLPFJHJWFJC-UHFFFAOYSA-N 417.440 5.177 0 40 HKAB CCOc1ccc(-c2noc(CN3CCC(c4nc5ccccc5s4)CC3)n2)cc1 32777153 NRCHQMQUCMSJNO-UHFFFAOYSA-N 420.538 5.125 0 40 HKAB O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccc(Cl)c1 35264151 BNQLCPIJAJEHFA-UHFFFAOYSA-N 419.695 6.151 0 40 HKAB O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 44917186 JORPHLAEKYMDTQ-UHFFFAOYSA-N 412.961 5.512 0 40 HKAB COc1cccc2c(Nc3cccc(SC)c3)cc(C(=O)N3CCCCC3)nc12 49003014 YMEXOOCWEUHURA-UHFFFAOYSA-N 407.539 5.335 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2C)cc1 67297724 LMWXIENXRNPUAH-PNHLSOANSA-N 418.880 5.888 0 40 HKAB O=C1N=C(Nc2cccc(Br)c2)/C(=C/c2ccc3nccnc3c2)S1 71286344 BXHQDCWWSCMCBR-SXGWCWSVSA-N 411.284 5.111 0 40 HKAB O=C1c2ccccc2[C@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1CCCO 85430426 QXSIGKLKBWUMRH-XMMPIXPASA-N 416.908 5.416 0 40 HKAB COc1c2c(c(OC)c3c(-c4ccccc4)ccc(-c4ccccc4)c13)[C@@H]1C=C[C@@H]2C1 101050021 CCKBDSAGBPUHCZ-NHCUHLMSSA-N 404.509 7.332 0 40 HKAB CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 107977686 UMIFTUASWCGDES-UHFFFAOYSA-N 422.550 5.227 0 40 HKAB COC(=O)c1cn(C(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c2ccccc12 222571797 GQCFWUZMQJKTFK-CJLVFECKSA-N 411.457 5.318 0 40 HKAB Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)o2)cc1Cl 222634021 QZAARLCWHHICMV-LVXYXVKQSA-N 409.942 5.893 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1OCC 222695107 GVUORUYPQHNNNE-ROUUACIJSA-N 411.542 5.008 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1Cc1ccco1 223360850 YMCXUQBZVDYQRO-FCHUYYIVSA-N 401.491 5.107 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 223666164 QETBCDAUEBVXES-RPWUZVMVSA-N 417.549 6.196 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccc(C(C)(C)C)cc1 224179521 XDBDFEVHXLILIO-UHFFFAOYSA-N 417.549 6.441 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)c1 224228310 RSMGZBNYYVQWCX-PKTZIBPZSA-N 402.567 5.320 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccccc1OC 224579328 OCQLCSPBUUWEBF-UHFFFAOYSA-N 419.477 5.128 0 40 HKAB CCCCOCc1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1OCC 224731942 DFECQNBUJAXOOO-UHFFFAOYSA-N 419.521 6.447 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NC3CCCCCCC3)o2)cc1 224923618 FUKZAFLSKURDPT-UHFFFAOYSA-N 418.537 6.250 0 40 HKAB COc1cc(C)c(C(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)cc1C(C)C 225654016 HKRREWCRAMSSQL-JOCHJYFZSA-N 407.554 6.084 0 40 HKAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(C)c(N3CCCC3=O)c1)CC(C)(C)O2 225675981 BLGTYYGWHKUEQJ-IBGZPJMESA-N 423.582 5.019 0 40 HKAB CC(C)c1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1 253497919 ZONPAOQEAXCIKO-ZBOMIUNWSA-N 422.653 6.568 0 40 HKAB CCC(=O)[C@H]1[C@H](CC)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 253500127 XFFDYWGJZFMHBB-HQFQMSLISA-N 400.603 6.112 0 40 HKAB biogenic CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1cccc(OC)c1 408564535 ZENZKRZGHRPOTB-ATJXCDBQSA-N 421.349 5.601 0 40 HKAB CC(C)N1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 409053417 JYFVAZRTLWDHPI-NVMNQCDNSA-N 422.333 6.017 0 40 HKAB CCOc1cc(CNc2ccc(OC)cc2)ccc1OCc1cccc2ccccc12 409112749 CPHJCDUEBFTHJS-UHFFFAOYSA-N 413.517 6.438 0 40 HKAB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)c1 409230983 HLIWYXMDDDNNND-KGENOOAVSA-N 420.553 5.389 0 40 HKAB O=C(NC(=S)Nc1ccccc1Cl)c1cc(-c2ccccc2)nc2ccccc12 650626 AVOCYPZOFZSOQL-UHFFFAOYSA-N 417.921 5.682 0 40 HKAB CCOC(=O)c1nn(-c2ccc(C)cc2)c(-c2ccccc2)c1C(=O)c1ccccc1 1016752 YFUQTMIMPUVSQB-UHFFFAOYSA-N 410.473 5.255 0 40 HKAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)sc(C)c1-c1ccccc1 1025495 XJOCRCVEBVGUTO-UHFFFAOYSA-N 415.536 5.009 0 40 HKAB Cc1ccc(C(=O)CSc2cc(C)nc(SCC(=O)c3ccccc3)n2)cc1 1223986 HXKOFSQRFWLEIQ-UHFFFAOYSA-N 408.548 5.043 0 40 HKAB CCN(CC)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 1248295 OOGQIVFWUYMAQY-UHFFFAOYSA-N 417.582 5.149 0 40 HKAB Cc1ccc2cc(CN(C(=O)Nc3ccccc3Cl)C3CCCCC3)c(=O)[nH]c2c1 1352756 JYDZXMYRFGVJCW-UHFFFAOYSA-N 423.944 5.857 0 40 HKAB Cc1cc(C)c2cc(CN(C(=O)Nc3cccc(Cl)c3)C3CCCC3)c(=O)[nH]c2c1 1371238 IHSOIFBSDNUVKE-UHFFFAOYSA-N 423.944 5.775 0 40 HKAB CCCCCOc1ccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 1799605 YEFSLTDUKCJTIU-ZRDIBKRKSA-N 407.432 5.935 0 40 HKAB Fc1cccc(-c2nc3cc(-c4ccc5oc(-c6cccc(F)c6)nc5c4)ccc3o2)c1 2048871 YHWLWOOCRGEAJJ-UHFFFAOYSA-N 424.406 7.248 0 40 HKAB COc1ccc(-c2cc(OC(=O)c3ccccc3C)c3c(C)oc(C)c3c(=O)c2)cc1 2102849 AEHCZCUOOZEWIA-UHFFFAOYSA-N 414.457 5.613 0 40 HKAB biogenic COc1ccccc1-c1c(C)oc2cc(OCc3cc(C)ccc3C)ccc2c1=O 2155009 KNFSAFXEUGNSDG-UHFFFAOYSA-N 400.474 5.973 0 40 HKAB biogenic Clc1ccc(Cc2noc(COc3ccc(Br)cc3)n2)c(Cl)c1 2429675 YMBPSQJZMBTKKO-UHFFFAOYSA-N 414.086 5.309 0 40 HKAB O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 2618378 SUWHGKWYSBGWOR-IBGZPJMESA-N 405.454 5.348 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c(C)c1 2625109 NMROTSLQBNHCEL-UHFFFAOYSA-N 418.497 5.060 0 40 HKAB Fc1ccc(-c2csc3ncnc(Nc4ccc(Cl)c(C(F)(F)F)c4)c23)cc1 2679624 JXZMIJAVWMIWOA-UHFFFAOYSA-N 423.822 6.913 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCc4cccc(Cl)c4)ncnc32)cc1 2714385 URVDCEYIUUXMOK-UHFFFAOYSA-N 424.935 6.661 0 40 HKAB Cc1ccc(C)c(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccc3n2)c1 2756474 HJKMECIUWGHZNB-UHFFFAOYSA-N 400.909 6.733 0 40 HKAB O=C(Nc1ccc(CSc2ccc(F)cc2)cc1)c1cccc(C(F)(F)F)c1 3116608 MPUTVQCTEYWLCK-UHFFFAOYSA-N 405.416 6.389 0 40 HKAB COc1cnc(SCc2ccc(Cl)cc2)nc1SCc1ccc(Cl)cc1 3128591 MOHYBNCRZJKADN-UHFFFAOYSA-N 423.390 6.377 0 40 HKAB CCN(C(=O)C(c1ccccc1)c1ccccc1)[C@@H](C)C(=O)Nc1ccc(C)cc1 3410220 YKHOIZZKAOVKHR-FQEVSTJZSA-N 400.522 5.003 0 40 HKAB Oc1cc2c(cc1Cl)C1(CCCC1)[C@@H]1CCC[C@@]1(c1cc(Cl)c(O)cc1O)O2 3627465 CBWKENFMNUUSAG-UNMCSNQZSA-N 421.320 6.010 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)NC3CC3)n2C2CCCCC2)cc1 5415350 RSOPSRYUCXGKAN-UHFFFAOYSA-N 412.603 5.119 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1 5628221 DQRDCUSGNWDERN-OAQYLSRUSA-N 403.507 5.352 0 40 HKAB O=C(CSc1nnc2sc3ccccc3n12)c1ccc(-c2ccccc2)cc1 5656830 OZHDVKIBLLYKIA-UHFFFAOYSA-N 401.516 5.586 0 40 HKAB c1ccc(-c2ccc(C3=NN4[C@H](C3)c3ccccc3O[C@@H]4c3ccccc3)cc2)cc1 5738502 ZKWOQNSONQFTAY-IXCJQBJRSA-N 402.497 6.596 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](NCc1ccco1)c1ccccc1 6086213 AXUDJJORLXCAQP-GOSISDBHSA-N 408.807 5.421 0 40 HKAB CC(C)(C)c1ccc(OCCOc2cccc(-c3nc4ccccc4c(=O)[nH]3)c2)cc1 6323527 DJDQFLUAZHWMSG-UHFFFAOYSA-N 414.505 5.345 0 40 HKAB Cc1c(CCC(=O)Nc2cccnc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 6673722 WYFXXJRNJUFODJ-UHFFFAOYSA-N 404.466 5.111 0 40 HKAB Cc1ccc(-n2c(C)cc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)c2C)cc1 7342947 VBCGEMANOCDCSU-BKUYFWCQSA-N 403.507 5.497 0 40 HKAB O=C(Nc1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1)c1cccs1 7988868 PRKDYRADHXXMSI-UHFFFAOYSA-N 406.463 5.029 0 40 HKAB Cc1ccc(Cn2cc([C@H]3NC(=O)c4ccccc4N3)c(-c3ccc(C)cc3)n2)cc1 8192027 PVURZAICDNTFJK-RUZDIDTESA-N 408.505 5.069 0 40 HKAB Cc1n[nH]c(C)c1CCC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 8343669 RLQMMLGJXMJVRL-HXUWFJFHSA-N 420.944 5.042 0 40 HKAB COc1cc([C@H]2c3c(c4ccccc4oc3=O)Nc3ccc4ccccc4c32)ccc1O 8856760 CXSQKKLILPIITK-HSZRJFAPSA-N 421.452 5.898 0 40 HKAB Cc1ccc(COc2ccc(-c3n[nH]c(C)c3-c3ccc(Cl)cc3)c(O)c2)cc1 8972993 AQQWUWLAPZDVDQ-UHFFFAOYSA-N 404.897 6.299 0 40 HKAB C[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl 9020023 GGIUEWIUBMISMD-HNNXBMFYSA-N 424.331 5.882 0 40 HKAB Cc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cc(C)ccc2C)cc1 9462023 XKGAVAAXKSEJMX-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccsc2)cc1 10215103 WKXCHRKDEFDEGC-IFMALSPDSA-N 410.926 6.043 0 40 HKAB O=C(CSc1ccc(-c2ccco2)nn1)Nc1cc(C(F)(F)F)ccc1Cl 10221041 QBJYCQPMLVENRS-UHFFFAOYSA-N 413.808 5.140 0 40 HKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1nnc(SCc2ccccc2)s1 12062936 HCBNOYWDHHNSGA-YPMHNXCESA-N 414.383 5.360 0 40 HKAB C[C@H](CCc1ccccc1)NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1 12630681 HDFPNYPNJFVTRL-OAQYLSRUSA-N 400.522 5.269 0 40 HKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3ccccc3Cl)C[C@H]12 12719745 OCCYLBDLKHPVGI-WXLRXOPESA-N 413.001 6.306 0 40 HKAB biogenic CC(C)c1ccc(/C=C\c2ccnc3nc(SC/C=C/c4ccccc4)nn23)cc1 12856588 PKRCXWZPMYULHK-LLRUOWDYSA-N 412.562 6.224 0 40 HKAB C[C@@H](N[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1 12918877 GHBMLWWGWMINFP-IAGOWNOFSA-N 412.455 6.050 0 40 HKAB C[C@H]1Sc2ccc(C(=O)N(CCc3ccccc3)Cc3cccs3)cc2NC1=O 12923118 GZMXYMOLSBJRRN-MRXNPFEDSA-N 422.575 5.066 0 40 HKAB CCOc1c(Cl)cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1OC 12976791 CSIYBTMTRODHIB-LBPRGKRZSA-N 404.919 5.190 0 40 HKAB CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccccc2Cl)N(C)C(=S)N1C 13063968 KVVOJWQCJPOKQS-GOSISDBHSA-N 420.365 5.109 0 40 HKAB CCc1nn2c(c1-c1ccccc1)N=C(c1cccc(OC)c1)C[C@@H]2c1cccnc1 14607612 AVQNOIQEMSWCGJ-XMMPIXPASA-N 408.505 5.630 0 40 HKAB Cc1cc(C)c2c(=O)cc(C(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)oc2c1 15831257 YKCZHIQDRKWQIG-UHFFFAOYSA-N 421.880 5.499 0 40 HKAB CCc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 17089472 KTGSVPJVPXEJDX-UHFFFAOYSA-N 413.304 6.060 0 40 HKAB O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1cccc2ccccc12 17091991 SEETYNHHEWJFHH-UHFFFAOYSA-N 419.731 5.383 0 40 HKAB COc1cc2ccccc2cc1C(=O)NCCSCc1c(Cl)cccc1Cl 20107897 LEOIBQCDCWNRFU-UHFFFAOYSA-N 420.361 5.818 0 40 HKAB O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N1CCC[C@H]1c1ccccc1 22328650 LEMMAJGZNJHTGE-KAMXEHQASA-N 409.379 5.266 0 40 HKAB CCOC(=O)c1cc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)ccc1Cl 22512158 NNAKYWPGNQOAFO-HMMYKYKNSA-N 405.881 5.696 0 40 HKAB Clc1ccc(-c2cn3cc(-c4ccc5c(c4)CCCC5)c4c3n2CCCC4)cc1 27300420 FTKAOGGKPBHJRH-UHFFFAOYSA-N 400.953 6.943 0 40 HKAB CCN(C(=O)COc1ccc(F)cc1)[C@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27991243 SBYPVAHQXLEHBZ-AREMUKBSSA-N 416.496 5.632 0 40 HKAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1 28743586 PTVJQBSPJLYXSV-LLVKDONJSA-N 423.321 5.700 0 40 HKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Br)c2)cc1 40485991 CKRRIKKXORLHCC-FQEVSTJZSA-N 424.294 5.403 0 40 HKAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(Cc1ccc(Cl)cc1Cl)CO2 57099724 KBAFFPYRTWEQRS-UHFFFAOYSA-N 416.304 5.249 0 40 HKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(C)C)c2)c1 60524910 MDXUYAUXVSZLIE-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB Brc1ccccc1-c1nnc(CN2CCCSc3ccccc32)o1 61782783 SQIJMKHLWYVWET-UHFFFAOYSA-N 402.317 5.002 0 40 HKAB O=C(Nc1cccc(C2SCCCS2)c1)c1ccc(Oc2cccnc2)cc1 63268720 HNEXVRAELAHRRQ-UHFFFAOYSA-N 408.548 5.995 0 40 HKAB COC(=O)c1cc(Nc2ccc(OCc3ccccc3)cc2)c2cc(Cl)ccc2n1 65033627 XHYVJBJGYXPTDH-UHFFFAOYSA-N 418.880 5.997 0 40 HKAB COc1cc([C@H](C)NC(=O)c2cccc(Oc3ccncc3)c2)ccc1OCC(C)C 79034181 WBBKMPLNYWSNLJ-SFHVURJKSA-N 420.509 5.408 0 40 HKAB Cc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)c2ccc(Br)o2)c1 89669349 ZONZUHFUPCQJKZ-OAHLLOKOSA-N 415.312 5.404 0 40 HKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1C[C@@H]1CC=C(C)C1(C)C 102788482 IHXLCLUTSHQOPT-PGRDOPGGSA-N 420.597 6.899 0 40 HKAB O=C1S/C(=C\c2cc(Cl)ccc2O)C(=O)N1Cc1ccc(Br)cc1 106721939 PAUCHEZOTFJSCS-NVNXTCNLSA-N 424.703 5.045 0 40 HKAB CCOc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1OCc1ccc(C)cc1 107706576 NGBDPVOKZKXZJL-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCSC[C@@H]1CCCN1C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 206792203 AOYROIJWBMCHTC-INIZCTEOSA-N 416.418 5.207 0 40 HKAB COc1cc(CNC(=O)CCCSc2ccc(Cl)cc2)ccc1OC(C)C 222689789 VSQKJOACFNHPPH-UHFFFAOYSA-N 407.963 5.325 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2ccccc2C(C)C)c1 224228073 PCVLUQHCVYDLDM-UHFFFAOYSA-N 417.549 6.521 0 40 HKAB COc1ccccc1CNC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2C)c1 224282173 XAOVKKIDJWTHJM-UHFFFAOYSA-N 419.521 5.138 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 224535239 YUKARYPOCPNVQM-RUZDIDTESA-N 422.613 5.444 0 40 HKAB COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(C)c1 224856804 QYBHDFKFCICHBT-UHFFFAOYSA-N 417.914 5.559 0 40 HKAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)cc2)n1 225287923 VPPSTPYQESJARI-UHFFFAOYSA-N 418.722 5.216 0 40 HKAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 225661502 GNWWDWDCGOARPK-IBGZPJMESA-N 423.626 5.356 0 40 HKAB Cc1cc(Br)cc(C)c1NC(=O)c1cc(N)ccc1N(C(C)C)C(C)C 226324333 CLQSXWPQOUMFGT-UHFFFAOYSA-N 418.379 5.524 0 40 HKAB CC(C)[C@@H]1CC[C@]2(CO)CC[C@@H]3[C@H](CC[C@@H]4[C@@]3(C)CC[C@@H]3[C@@H](C)[C@@H](O)CC[C@@]34C)[C@H]12 253609775 QJWYZJIICBEFDU-OAMANFIJSA-N 416.690 6.297 0 40 HKAB COCCNC(=S)c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 408571500 BINSBLOQYFVUBJ-UHFFFAOYSA-N 404.746 5.137 0 40 HKAB Cc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1Br 408623958 VSWGSBBQCQCMJX-UHFFFAOYSA-N 402.332 5.823 0 40 HKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408641996 LVUXIECKNAAUQO-HNNXBMFYSA-N 424.859 5.263 0 40 HKAB COc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1 409377918 KOFARAVDJZOAGH-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409377990 LGMGYRSKWJEMJT-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB CSc1nnc2c(n1)O[C@@H](c1ccc(-c3cccc(Cl)c3)o1)Nc1ccccc1-2 688844 YSEYWDKAOMACHK-IBGZPJMESA-N 422.897 5.677 0 40 HKAB O=C1/C(=C/c2c[nH]c3ccccc23)C(O)=NC(=S)N1c1cc(Cl)cc(Cl)c1 1178845 CYMMKJJSFDUJLM-PJQLUOCWSA-N 416.289 5.146 0 40 HKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNC(=O)c1ccc(Cl)cc1 1390512 NRZFTMGAFPAWEG-UHFFFAOYSA-N 410.848 5.721 0 40 HKAB CC[C@H](C(=O)Nc1cc(C(=O)Nc2ccccc2C)ccc1Cl)c1ccccc1 2073522 ZLIZRLKVXWINIR-IBGZPJMESA-N 406.913 6.033 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(SCc2ccccc2)ns1 2640203 FYHZSUIAHUKBLV-UHFFFAOYSA-N 411.339 5.781 0 40 HKAB CC(C)CCN1C(=O)[C@](O)(CC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 3231079 FNBXVITVNRZGLQ-MHZLTWQESA-N 413.517 5.207 0 40 HKAB O=C(CSc1nc2cc(Cl)ccc2s1)N1CCC(Cc2ccccc2)CC1 3249492 ZNHWBAWZSQDDTQ-UHFFFAOYSA-N 416.999 5.523 0 40 HKAB Cc1ccc(C)c(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc23)c1 3272407 QZNJCODSCISSDN-UHFFFAOYSA-N 400.909 6.733 0 40 HKAB CCn1c2ccccc2c2cc(CN3CCC[C@H](C(=O)N4CCCCCC4)C3)ccc21 4150805 HXAXUNQVCWXUSI-QFIPXVFZSA-N 417.597 5.429 0 40 HKAB CCCCOc1ccc(N2C(=O)c3ccc(Cl)c4c(Cl)ccc(c34)C2=O)cc1 4199135 KRUROKQRTJGGKP-UHFFFAOYSA-N 414.288 6.126 0 40 HKAB O=c1cc(CN2CCCc3ccccc32)occ1OCc1ccc(Cl)c(Cl)c1 4304673 HKGBUIPDYIPODC-UHFFFAOYSA-N 416.304 5.478 0 40 HKAB c1ccc(CN2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4ccccc4)=NN23)cc1 4424533 PYVDJLMUDDGXHA-RUZDIDTESA-N 409.533 5.222 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccc(C)c(C)c3)c2)c1 4659836 HCLRJYMBYKRBBU-UHFFFAOYSA-N 406.913 6.078 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)CCc3ccccc3)c2)cc1 4659885 HINKKOREHXYTHG-UHFFFAOYSA-N 422.912 5.562 0 40 HKAB CCCn1c(C)cc(C(=O)CSc2nnc([C@H](C)Oc3ccccc3F)o2)c1C 4938096 MKNQXHLIIYAGBO-HNNXBMFYSA-N 417.506 5.152 0 40 HKAB C[C@H](NC(=O)Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1Cl 5452343 DGXOSNYPDLFFPD-KRWDZBQOSA-N 403.913 5.158 0 40 HKAB CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2CCc2nc3ccccc3[nH]2)CO1 5453576 BOTWQFSSFFWAHK-UHFFFAOYSA-N 416.550 5.250 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)c3ccccc3n2)cc1 5618215 ZXYFXZWVLMKPEG-UHFFFAOYSA-N 402.881 6.125 0 40 HKAB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1cccc2c(Cl)cccc12 6536729 DZFWBQSZQCGPQV-UHFFFAOYSA-N 412.876 6.231 0 40 HKAB CCOc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1OCC 6732338 RPLSYOGYKYHAOZ-UHFFFAOYSA-N 410.517 6.627 0 40 HKAB CCc1ccc(Nc2nnc(S[C@@H](C)c3nnc(-c4ccccc4)o3)s2)cc1 7372069 CNLOFUPZTQUPKL-ZDUSSCGKSA-N 409.540 5.747 0 40 HKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1c(Cl)cccc1Cl 7481925 VLZCDPZMKVBICN-UHFFFAOYSA-N 414.288 5.307 0 40 HKAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1[C@H](C)c1ccccc1 7904588 CGDZBENKYIGFDI-MRXNPFEDSA-N 420.582 5.493 0 40 HKAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cs1 7919575 VONLIJLFLUKQTD-UHFFFAOYSA-N 408.401 5.181 0 40 HKAB CC(C)Cn1c(SCc2nc(-c3ccccc3)no2)nnc1-c1ccccc1F 8131843 CCNASYIUHSHEMM-UHFFFAOYSA-N 409.490 5.083 0 40 HKAB O=C1c2cccc(Cl)c2[C@@](c2ccccc2)(c2cccs2)c2cccc(Cl)c21 8453463 GRNGSCGJTMMTSK-XMMPIXPASA-N 421.348 6.982 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2coc3cc(C)ccc23)cc1 8611982 PYZIBSPJLGOMQA-UHFFFAOYSA-N 423.468 6.208 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](Sc1ncccn1)c1ccccc1 8704840 CDMDFJGWBSMVCD-INIZCTEOSA-N 423.847 5.621 0 40 HKAB Cc1ccccc1NC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)cc1 8781804 FXNDPWOSPDEZTP-XNTDXEJSSA-N 422.322 5.988 0 40 HKAB Cc1cc(C)c2nc(NC(=O)c3c(C)nn(Cc4ccccc4)c3Cl)sc2c1 9515397 QLHRNZXHNUNLIH-UHFFFAOYSA-N 410.930 5.372 0 40 HKAB O=C(COC(=O)/C=C/c1ccccc1Cl)Nc1c(Cl)cccc1C(F)(F)F 9742444 MNRZIUCXOGVECL-CMDGGOBGSA-N 418.198 5.207 0 40 HKAB Cc1ccc(-n2cnnc2S[C@H](C)c2nc3ccccc3n2C(F)F)cc1Cl 12534972 VHVPWMWJULQNKL-GFCCVEGCSA-N 419.888 5.827 0 40 HKAB COc1cccc(/C=C(/C(=O)OCC(=O)Nc2ccccc2Cl)c2ccccc2)c1 12624558 SDQJJIPHOLPJKC-HMMYKYKNSA-N 421.880 5.071 0 40 HKAB COc1ccccc1-c1nnc(SCc2ccc(C(=O)Nc3ccccc3)cc2)o1 12692624 MYKJHWTUFKUVFZ-UHFFFAOYSA-N 417.490 5.290 0 40 HKAB C[C@@H](NCc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1)c1ccc2c(c1)CCCC2 12819865 ZLFWQQIZAJCNNA-MRXNPFEDSA-N 415.562 5.381 0 40 HKAB O=C(OCCC(F)(F)F)c1cc(-c2ccc(Br)cc2)nc2ccccc12 13015862 OKUJFWMDAXCCIY-UHFFFAOYSA-N 424.216 5.774 0 40 HKAB CC(C)(C)c1ccc(OCc2nc3cc(Cl)ccc3n2Cc2ccccc2)cc1 13149218 CLQWJNZZJTWJDQ-UHFFFAOYSA-N 404.941 6.615 0 40 HKAB O=C(Nc1ccccc1Cl)c1nc(SCc2ccccc2Cl)ncc1Cl 13627538 CNGDWIMCFYZIML-UHFFFAOYSA-N 424.740 5.981 0 40 HKAB Cc1ccc(-c2noc(CSc3nnc(-c4ccc5c(c4)CCCC5)n3C)n2)cc1 13941893 DJIKGWGUZDUJNE-UHFFFAOYSA-N 417.538 5.012 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1 14061775 SBZPZFBJZIOUNQ-UHFFFAOYSA-N 402.450 5.285 0 40 HKAB CCc1nn2c(c1-c1ccc(F)cc1)N=C(C)C[C@@H]2c1cc(OC)c(OC)c(OC)c1 14607126 AGCAODFBYBBKFN-LJQANCHMSA-N 423.488 5.363 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1CCC(Cc2ccccc2)CC1 14608368 PBPOBPVALWTJJP-NDEPHWFRSA-N 422.572 6.355 0 40 HKAB COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(F)cc2F)c1 15004534 NHVREDXFDUBXHQ-UHFFFAOYSA-N 405.404 5.078 0 40 HKAB CCOC(=O)C1=Cc2c(ccc3ccccc23)O[C@@]12C=Cc1c(ccc3ccccc13)O2 16682584 ALJLUCYAMNZQRB-NDEPHWFRSA-N 420.464 6.134 0 40 HKAB COC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 16757660 AQPHXWWHHCAQET-INIZCTEOSA-N 403.507 5.050 0 40 HKAB CCn1c(S)nnc1-c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 17082145 GIKCRTHTXATBBI-UHFFFAOYSA-N 401.322 5.776 0 40 HKAB CC(=O)NCCCc1ccc(-c2csc(Cc3nc4ccccc4s3)n2)cc1 19542550 MGSBBDIKYRJBBX-UHFFFAOYSA-N 407.564 5.079 0 40 HKAB CCn1c2ccccc2c2cc(CN3CCN(CCCc4ccccc4)CC3)ccc21 19889663 YAWVDKMXPAXGBG-UHFFFAOYSA-N 411.593 5.565 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)sc2c1CCCC2 20456675 PEPLLBHAORKQRV-INIZCTEOSA-N 415.555 5.135 0 40 HKAB CC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccccc1 20457278 KZUDYECZRGWKAT-SFHVURJKSA-N 404.348 5.393 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(CN2CCCc3ccccc32)cc1 20457341 UNOURZCONYAKMJ-UHFFFAOYSA-N 411.332 6.199 0 40 HKAB O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)c1ccoc1 23074560 GVWXHONRCKNPCL-UHFFFAOYSA-N 420.334 5.617 0 40 HKAB O=C(c1ccc(Br)o1)N(Cc1c(F)cccc1Cl)c1ccccn1 28289627 SFUDBDNVOSTVRQ-UHFFFAOYSA-N 409.642 5.077 0 40 HKAB Cc1cccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c1C 30756879 LUHLBSGSLZUTKI-HNNXBMFYSA-N 412.382 5.427 0 40 HKAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1ccccc1Cl 32578489 ZMHJDJKHAOIVLB-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB c1ccc(C2(c3ccccc3)O[C@@H](c3ccc4c(c3)OCO4)Nc3ccccc32)cc1 34132217 SHBXZOMMCRSSCG-SANMLTNESA-N 407.469 5.848 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3ccc(-n4cc[nH]c4=S)cc3)sc2C)cc1 40119797 FPVYWVGMNVDEOK-UHFFFAOYSA-N 422.535 5.228 0 40 HKAB Cc1ccc(CNC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)cc1 64472767 KHODRLYTKYSOAY-UHFFFAOYSA-N 406.938 6.098 0 40 HKAB Cc1ccc(-n2nc(-c3nc(-c4ccccc4C)no3)c3ccccc3c2=O)cc1C 64950015 OADFLHUUWOABAC-UHFFFAOYSA-N 408.461 5.028 0 40 HKAB CCOc1ccccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NCc1ccco1 67293174 WUAIDDCECIMMDE-RWEWTDSWSA-N 422.868 5.240 0 40 HKAB C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 123212515 INLFWQCRAJUDCR-RLQGWXJDSA-N 400.647 6.823 0 40 HKAB CCOCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1)N2 169617964 AVXULQZSPUSULE-CZIWMOKQSA-N 404.554 5.140 0 40 HKAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1C 223399544 VDFRQYRNZQQJQQ-QFIPXVFZSA-N 412.577 5.661 0 40 HKAB Cc1cc(NC(=S)NCC2(c3cccc(Cl)c3)CCCCC2)ncc1Cl 224001826 IFVKIVVOJRSINB-UHFFFAOYSA-N 408.398 5.885 0 40 HKAB Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)c1cccc(C(F)(F)F)c1 224336362 PHYABJBZPXSVDS-UHFFFAOYSA-N 405.351 5.296 0 40 HKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 224374319 ZWEXSDYJBTUKNA-GOTSBHOMSA-N 404.583 5.765 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccc(C)cc1 224467098 UZHSBSMPMXWUKI-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1cccc(CN2CCCCC2)c1 224683205 PVTNGJQHKBOQSV-AREMUKBSSA-N 416.565 5.300 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 225555944 FNYRJQATSDTEAJ-INIZCTEOSA-N 420.380 7.011 0 40 HKAB COC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCCC2)ccc1OC(C)C 225758388 HTVYLIDWQMXXSY-UHFFFAOYSA-N 409.526 5.409 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c2ccccc12 225760588 DLTGRHWQTGVYTL-UHFFFAOYSA-N 401.550 6.778 0 40 HKAB Cc1cccc(C2(NC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)CCCC2)c1 225854487 OGSVUYHDIRAXJA-UHFFFAOYSA-N 412.908 6.423 0 40 HKAB Cc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2C)n1 408699155 RQBHPIBQXPEUGT-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Clc1cccc(COc2ccccc2CNc2ccc(Oc3ccccc3)cc2)c1 409110745 GHJYAUYOWBHHGW-UHFFFAOYSA-N 415.920 7.323 0 40 HKAB CCc1ccccc1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 409114781 QGIKXJBSGIDBDT-UHFFFAOYSA-N 420.767 7.400 0 40 HKAB Cc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)c1 409115197 JIVZOXJRAIUYSO-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB CCOc1ccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc23)cc1 409121994 YAFUWJLSVRARTM-UHFFFAOYSA-N 417.936 7.083 0 40 HKAB COCCN1C(=O)S/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O 409130582 WLOIKXPHFPSJNU-ATVHPVEESA-N 405.928 5.174 0 40 HKAB CC(C)=CCC[C@@]1(C)Oc2c(-c3ccccc3C(=O)O)cccc2[C@@H]2O[C@H](C)CC[C@H]21 585265562 JIWQSTNQSGETCP-UBJKNDRWSA-N 420.549 6.806 0 40 HKAB O=C(c1cccc(F)c1)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 932628 FHHQVQHSKNBFKB-UHFFFAOYSA-N 402.494 5.839 0 40 HKAB O=C1N/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1Cc1ccccc1 983912 YNPIJEMPJQULDL-WQRHYEAKSA-N 413.260 5.346 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(C(=O)N(c3ccccc3)c3ccccc3)cc2)c1 1444068 UDAYBTMOSHBBRR-UHFFFAOYSA-N 406.485 6.226 0 40 HKAB CCCCN(CC)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 1832602 LTTGHQIJMMFTFA-UHFFFAOYSA-N 402.567 6.022 0 40 HKAB O=P(OC1CCCCC1)(OC1CCCCC1)[C@H](O)c1ccc(Cl)cc1Cl 2207395 AHFCAZQJWXOKOL-IBGZPJMESA-N 421.301 6.876 0 40 HKAB CCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(-c2ccccc2Cl)n1 2327109 GQEWOOGJGSRTAD-UHFFFAOYSA-N 407.857 5.526 0 40 HKAB CC(C)c1ccc([C@H](O)[P@@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1 2361203 IKIKBTCKJMZFEA-RNAHPLFWSA-N 423.493 5.687 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OC(C)C)c3c2)cc1C 2497146 LCGMIDAJDNXEAC-UHFFFAOYSA-N 415.511 5.032 0 40 HKAB c1ccc(-c2nc(COc3ncnc4scc(-c5ccccc5)c34)cs2)cc1 2648891 QOYYLYADIYSXNS-UHFFFAOYSA-N 401.516 6.061 0 40 HKAB COc1cnc(SCc2ccc(Cl)c(Cl)c2)nc1Sc1ccccc1 3133187 UODKLXNCWMJWJZ-UHFFFAOYSA-N 409.363 6.236 0 40 HKAB COc1ccc(C2=CC[C@@]3(C)[C@@H](CC[C@H]4[C@H]3CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]43)C2)cc1 3850079 KXXIKUQRERCHIS-NPCISQTESA-N 422.609 6.663 0 40 HKAB CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 4521842 HCXVJBMSMIARIN-JIXWFOITSA-N 412.702 7.801 0 40 HKAB biogenic,in-vitro CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)C1 4603672 XYJORDSSGWDSHJ-GOSISDBHSA-N 423.619 5.021 0 40 HKAB Cc1ccc(-c2noc(CSc3nc4ccccc4n3Cc3ccccc3)n2)cc1 4629446 NOBBJUXOZVWVLG-UHFFFAOYSA-N 412.518 5.735 0 40 HKAB COc1cc2c(cc1NC(=O)c1ccc(OC(F)F)c(OC)c1)oc1ccccc12 4652136 YVJMVWUQVLJKGN-UHFFFAOYSA-N 413.376 5.457 0 40 HKAB Cc1ccsc1/C=C\c1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 4854425 ZATHVEGQXIKSHR-KTKRTIGZSA-N 412.436 5.945 0 40 HKAB Cc1ccc(C2=NC3(CCCCCC3)N=C2SCC(=O)Nc2ccc(F)cc2)cc1 4891463 YGEADAABIYVOBK-UHFFFAOYSA-N 423.557 5.758 0 40 HKAB O=c1[nH]c(CNc2ccc(Br)cc2)nc2scc(-c3ccccc3)c12 5090090 KZMSUXBLHXCMMR-UHFFFAOYSA-N 412.312 5.026 0 40 HKAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1ccc(F)cc1 5192393 PAOHKFZTPXAEPK-UHFFFAOYSA-N 401.484 5.072 0 40 HKAB CSc1cccc(C(=O)N(Cc2ccccn2)c2nc3ccc(F)cc3s2)c1 5203695 NQRKPARIWBJYNP-UHFFFAOYSA-N 409.511 5.399 0 40 HKAB CC(C)Oc1ccccc1/C=C1\CCn2c1nc1scc(-c3ccccc3)c1c2=O 6084397 VMHRFIHNOZLLAL-XMHGGMMESA-N 414.530 5.857 0 40 HKAB O=C(NCCN(C(=O)c1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1 6927505 RKEMLMJAYRTQCO-UHFFFAOYSA-N 413.304 5.070 0 40 HKAB COc1cc(C(C)=O)ccc1O[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 7200809 KRBVFCLSUSHNCP-QGZVFWFLSA-N 405.450 5.096 0 40 HKAB O=C(Nc1ccc2c(c1)OCO2)c1sc(-c2ccccc2)nc1-c1ccccc1 7754573 PUGQGVSTXJFIFD-UHFFFAOYSA-N 400.459 5.458 0 40 HKAB CCOc1c(Br)cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC 8253360 QBVCVWFHOCQEGA-HIGJEIRPSA-N 422.407 5.551 0 40 HKAB COc1ccc(C2=Nc3c(-c4ccccc4)c(C)nn3[C@H](c3ccco3)C2)cc1OC 8570222 GWNWTRCKRYNTBQ-FQEVSTJZSA-N 413.477 5.583 0 40 HKAB COc1ccc(OCc2nnc(SCc3ccccc3)n2-c2ccccc2F)cc1 8751806 YBQNWNICPUFJAD-UHFFFAOYSA-N 421.497 5.286 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 8951718 PJALTXHLCHFFKL-HXUWFJFHSA-N 422.278 5.156 0 40 HKAB COc1ccc([C@H]2CC(C)=NN2c2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1 9420413 NPMVZMNQKPMYCZ-LJQANCHMSA-N 413.930 5.808 0 40 HKAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(-c2nccs2)cc1 9534855 HDXRTTLKGFMAGA-UHFFFAOYSA-N 422.535 5.355 0 40 HKAB CCN(CC)C(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(C)c(C)c3)o2)cc1 9734040 RLDZWQNPYXZWMA-UHFFFAOYSA-N 419.525 5.012 0 40 HKAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccc(-c2ccccc2Cl)o1 11418562 IFYOFEJIKICCKS-UHFFFAOYSA-N 415.276 5.633 0 40 HKAB CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)cc1 12194298 RFFLSYKZNDQANK-VPUSJEBWSA-N 412.533 6.498 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1c(N)c(C(=O)c2ccc(F)cc2)n2ccccc12 12342165 YTXZLLXXRSLCQW-UHFFFAOYSA-N 421.859 5.106 0 40 HKAB Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2cccc(Cl)c2)C1 12603397 PWFVZGPHJJNDQT-ISKFKSNPSA-N 420.000 6.468 0 40 HKAB biogenic,in-vitro Cc1ccccc1-c1nnc(SCC(=O)NC2c3ccccc3-c3ccccc32)o1 12820826 WJHQKUOAJISLLK-UHFFFAOYSA-N 413.502 5.023 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12993043 YMBPZGCEIBMQHL-SJAGGWKPSA-N 421.368 5.139 0 40 HKAB CC(C)[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc2ccccc2[nH]1 14776468 SJNMPXAWWIBXFT-QFIPXVFZSA-N 422.916 5.317 0 40 HKAB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4)C3=O)o2)cc1 15008975 ZOGZOYHEAHSWLG-FYJGNVAPSA-N 403.459 5.386 0 40 HKAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2Cl)o1 15975055 JSJJGCWYVWOYIY-OAHLLOKOSA-N 411.955 5.627 0 40 HKAB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)c1cc2ccccc2oc1=O 16492539 UJQBJXBHIPVSKA-UHFFFAOYSA-N 424.481 5.378 0 40 HKAB CCOc1ccccc1N(C(=O)CCc1ccsc1)c1nc2ccccc2s1 16680344 FQLWTCXFVCTERZ-UHFFFAOYSA-N 408.548 6.054 0 40 HKAB Cc1cc(NC(=S)NC(=O)c2ccccc2)cc(-c2nc3ccccc3s2)c1O 17091891 QXARPYRNKQNUDQ-UHFFFAOYSA-N 419.531 5.104 0 40 HKAB CC(C)(C)C(=O)N1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(C(F)(F)F)cc1 19713756 WSCJCXHVTVKPFR-XMSQKQJNSA-N 424.507 5.014 0 40 HKAB O=C(Nc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1)c1ccco1 20411054 HOMFUYGPWIGLLY-UHFFFAOYSA-N 413.458 5.547 0 40 HKAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccc(Cl)cc1)CO3 20610129 LCDQEAZSQWZBTN-UHFFFAOYSA-N 411.929 5.492 0 40 HKAB biogenic O=C(Nc1ccc2nc(SCCOc3ccccc3)sc2c1)c1ccc(F)cc1 20895060 FNALHIIBICUGEK-UHFFFAOYSA-N 424.522 5.859 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 22514268 BVVFJTXVCSJBNG-RPBOFIJWSA-N 405.538 5.909 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 24832990 PXLIUHHJZQYQPB-UHFFFAOYSA-N 409.795 5.114 0 40 HKAB CCc1ccc(OC(=O)c2nc(SCc3ccc(Cl)cc3)ncc2Cl)cc1 28289334 VOFACUAPNFDOIT-UHFFFAOYSA-N 419.333 5.857 0 40 HKAB CC(C)[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1nc2ccccc2[nH]1 32879263 SJNMPXAWWIBXFT-JOCHJYFZSA-N 422.916 5.317 0 40 HKAB COc1cc(C(=S)N2CCCC2)cc(Br)c1OCc1ccc(C)cc1 33644237 KYLGAJXQYYGVEG-UHFFFAOYSA-N 420.372 5.116 0 40 HKAB CCOc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3ccc(F)cc3)C[C@H]21 34138823 HLJZQDKEDAJTRD-QPPBQGQZSA-N 422.887 6.120 0 40 HKAB COc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@@H]2c2cccc(Cl)c2)cc1 40486009 CQABDIZBZCTRCK-QFIPXVFZSA-N 405.881 5.401 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 41076532 PYAAIICYVXSNNO-UHFFFAOYSA-N 411.918 5.056 0 40 HKAB CC(=O)Nc1ccc(NC(=S)N2CCc3sccc3[C@H]2c2cccs2)cc1 41728694 ARYPHHASPVOUCM-IBGZPJMESA-N 413.593 5.113 0 40 HKAB COc1cccc(C(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc23)c1 59294327 OGZNIYCDYCUMJL-UHFFFAOYSA-N 416.930 5.344 0 40 HKAB O=C(c1ccc(CSCc2ccccc2)cc1)N1CCN(Cc2ccccc2)CC1 59960753 SGFBGINSKXJVOD-UHFFFAOYSA-N 416.590 5.078 0 40 HKAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(OCc2ccccc2)nc1 72212049 AWEZYSKNTHTURT-QHCPKHFHSA-N 402.494 5.524 0 40 HKAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(COCC(F)(F)F)cc1 72277170 GFMGYHIJZLHQKW-SFTDATJTSA-N 405.460 5.564 0 40 HKAB CC1(C)[C@H]2CC[C@]1(C)c1c2c(COC(=O)c2ccc(Cl)cc2)nn1-c1ccccc1 84668337 UMMQCTPMFSDMMM-UQBPGWFLSA-N 420.940 6.058 0 40 HKAB COc1cccc([C@@H]2C3=C(O)C[C@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)c1 102731786 KFGYHJXYFUCIBA-ZHRRBRCNSA-N 402.450 5.305 0 40 HKAB Fc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN21 106938231 SKLIOORIKRLJSM-IFMALSPDSA-N 423.285 5.831 0 40 HKAB CCCC[C@@H](CC)CNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 223419895 YSDSQJDFWLJGSU-CLOONOSVSA-N 424.610 5.407 0 40 HKAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc(C)c(C)c1 224295471 WSSHGTYMMKVJFD-UHFFFAOYSA-N 403.522 6.069 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COCc2ccccc2)c1 224356509 LLRXVCIUPZFWSN-UHFFFAOYSA-N 403.522 5.789 0 40 HKAB CCN(CC)CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1 225615609 NMSNCHMQNAEWNP-UHFFFAOYSA-N 406.611 5.213 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)c2ccccc12 225915032 KCCGHHRZYJYLIM-UHFFFAOYSA-N 405.494 5.317 0 40 HKAB Cc1cc(NC(=O)COc2ccc(-c3ccccc3)cc2)cc(Br)c1O 226243087 QNVPQFZNORMVSM-UHFFFAOYSA-N 412.283 5.148 0 40 HKAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ccc(COC(C)C)o1 253471200 BLWFDJAGXCCJPI-UHFFFAOYSA-N 404.919 5.220 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253497792 LZHRRGGNNXYJOT-XJYMFQQYSA-N 402.663 6.360 0 40 HKAB CCCCOc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(C)cc3)n2CC)cc1 408561548 JLJAPCAQZKPMMR-IZHYLOQSSA-N 408.567 5.773 0 40 HKAB CCc1s/c(=N\C(=O)c2cccc(F)c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408561596 KEWDLRRXCVVLNS-GFMRDNFCSA-N 423.340 5.986 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2cc(C)ccc2C)cc1 408695815 SOLHBRBJZXEABS-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3C)n2)c(C)c1 408696138 WRIYCKUJYQYMKP-UHFFFAOYSA-N 414.484 5.559 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2cccc(Cl)c2C)cc1 408699220 SGVSIEPJAYTZBK-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(N2Cc3cc4c(cc3C2)CN(c2ccc(C)c(Cl)c2)C4)cc1Cl 408821979 BFDQSCRMUJUMEA-UHFFFAOYSA-N 409.360 6.651 0 40 HKAB CCCc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1cc(C)ccc1C 408823007 DCARSMSMAAELQN-UHFFFAOYSA-N 419.377 6.939 0 40 HKAB COc1ccc(/C=C(/C(=O)NCCSCc2ccc(C)cc2)c2ccccc2)cc1 408908642 XBXYHOKBLORHLL-XIEYBQDHSA-N 417.574 5.594 0 40 HKAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O 409013373 NDVLUSXSZPNBCR-PVGUKEHMSA-N 415.486 5.248 0 40 HKAB O=C(NC1CCCCC1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409144347 OPPVOIOXBNIHGH-BNELBPEVSA-N 400.566 6.046 0 40 HKAB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3)n2C)cc1 409198191 ZLADSOFOMYOJHU-IZHYLOQSSA-N 400.503 5.170 0 40 HKAB Cc1c(C(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)oc2ccccc12 722696 VNMIYJXLXGYMOX-UHFFFAOYSA-N 402.841 5.381 0 40 HKAB CC(C)(C)c1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(C(C)(C)C)c1O 980783 NWOSYHRLLPHRML-XSFVSMFZSA-N 406.526 5.080 0 40 HKAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(C)o2)n2c(nc3ccccc32)N1 1078329 PSWSSZPBBIFOOI-HSZRJFAPSA-N 412.493 5.482 0 40 HKAB COc1ccc(-c2cc(OC(=O)c3cccs3)c3c(C)oc(C)c3c(=O)c2)cc1 1106347 CXEOFNCQXLWFHI-UHFFFAOYSA-N 406.459 5.366 0 40 HKAB biogenic Cc1nc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2n1-c1ccccc1 1347250 UJWYFXANGFZIAE-UHFFFAOYSA-N 409.533 5.429 0 40 HKAB O=C(Oc1ccc(F)cc1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 1777299 BRUPERDKPQNJTJ-UHFFFAOYSA-N 422.253 6.023 0 40 HKAB CC(=O)c1c2c(cc3c1C[C@@]1(C3)Cc3cc4c(c(C(=O)O)c3C1)CCCC4)CCCC2 1855345 BHRSSBHSPBPIBW-MUUNZHRXSA-N 414.545 5.229 0 40 HKAB CC(C)OC(=O)c1ccc(COc2c(-c3ccco3)oc3ccccc3c2=O)cc1 1978261 LKHAKTUJANBAST-UHFFFAOYSA-N 404.418 5.197 0 40 HKAB CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)cc1 2177301 ARUBXTZAIBFTSZ-OJVSJSBUSA-N 401.937 6.458 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccccc3Br)s2)cc1 2188960 AOWZRIVVNJMOOP-UHFFFAOYSA-N 416.344 5.517 0 40 HKAB CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCCC2)sc2c1CCCC2 2310094 SEPHODNKBUICSV-UHFFFAOYSA-N 422.554 5.091 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1 2961267 VCXLQMLWIQTECK-UHFFFAOYSA-N 403.507 5.790 0 40 HKAB COc1cccc2sc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)nc12 3175446 WQCIFIMJASLNQS-UHFFFAOYSA-N 417.515 5.834 0 40 HKAB COc1cc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc(Br)c1O 3225165 KENYDXNUVQSJCV-FQEVSTJZSA-N 422.282 5.152 0 40 HKAB C[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)[C@@H](c1cccs1)N1CCCC1 3265078 SNXQPXANNGJLPP-SGTLLEGYSA-N 422.978 5.711 0 40 HKAB O=C(O)Cc1c(-c2cccs2)nc2sc3c(c2c1-c1ccccc1)CCCC3 3324282 GIJXFMXTQNKYAI-UHFFFAOYSA-N 405.544 6.198 0 40 HKAB O=C(CSc1ccc(Cl)cc1)N1OC[C@@H]2COc3ccc4ccccc4c3[C@@H]21 4040098 MXVWFHDTTFTQLY-OYHNWAKOSA-N 411.910 5.109 0 40 HKAB Cc1ccc(-c2cc(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)o1 4650772 QFLROLFYUWMLKM-AWYKWWOESA-N 414.549 6.138 0 40 HKAB O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCS[C@@H]1c1ccc(Cl)cc1 4903134 UWVFRJAEVLFDBQ-OAQYLSRUSA-N 415.967 5.443 0 40 HKAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1 4918988 BZEVHHQWYHZHNK-HSWFVFMJSA-N 417.508 5.419 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 5077230 FBLATKBXJKLWFD-UHFFFAOYSA-N 413.930 5.069 0 40 HKAB CCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c1 5173264 KBSCAOCMYIXZBD-UHFFFAOYSA-N 400.478 6.153 0 40 HKAB COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(C)cc2)cc1 5324741 NNAWVCBAOTZUFW-UHFFFAOYSA-N 401.487 5.498 0 40 HKAB Cc1cc(C)n(-c2nc(NCCc3ccccc3)c3c4c(sc3n2)CCCC4)n1 5577179 XCFLKCGABKKLKI-UHFFFAOYSA-N 403.555 5.027 0 40 HKAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccc(Cl)c(Cl)c1 5752962 ILOAIXWEIFMREL-UHFFFAOYSA-N 410.351 5.218 0 40 HKAB Cc1cccc(-c2nc3c4ccccc4nc(NCCc4c[nH]c5ccccc45)n3n2)c1 6805524 DSCBZRACNZFIED-UHFFFAOYSA-N 418.504 5.389 0 40 HKAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(c1ccc(Cl)cc1)C3 6900545 ULXPMJUTIJGKIV-UHFFFAOYSA-N 417.892 5.702 0 40 HKAB CCn1c2ccccc2c2cc(/C=C(\Sc3nc4ccccc4o3)C(=O)O)ccc21 7365514 BZLVOFLHBHCUQV-HMAPJEAMSA-N 414.486 6.173 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 7668798 CNSUPZVLCONEIH-GOSISDBHSA-N 412.961 5.574 0 40 HKAB Cc1ccccc1CS[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 8071788 ZZJQBPXHOFHJPW-ZDUSSCGKSA-N 404.507 5.657 0 40 HKAB COc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCCc1ccccc1 8497316 BFQIKCGURLEYKZ-ODCRROIESA-N 419.609 6.011 0 40 HKAB Cc1c(CC(=O)Nc2ccccn2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 8792487 OTXDSUMRNIJHRY-UHFFFAOYSA-N 410.429 5.091 0 40 HKAB biogenic O=C(Nc1cc(Cl)ccc1Cl)c1nc(SCc2ccccc2)ncc1Cl 9134168 DFVAABQUMXWKGH-UHFFFAOYSA-N 424.740 5.981 0 40 HKAB CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 9500068 JCUHEKKNGAXWBN-OAQYLSRUSA-N 420.534 5.376 0 40 HKAB CSCC[C@H](NC(=O)CCCSc1ccccc1)c1nc2ccccc2s1 9514393 JQXPQHGADDVKCP-SFHVURJKSA-N 416.637 5.779 0 40 HKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cc(Cl)ccc1Cl 12179181 ZYEQQQUCESSJJT-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCCN1CCCCC1)n2C 12652722 ANBFYJBOVFIXHV-UHFFFAOYSA-N 423.988 5.277 0 40 HKAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc2)o1 12822999 MYKDTWLYWCFOCY-INIZCTEOSA-N 401.441 5.342 0 40 HKAB O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1sc2cc(F)ccc2c1Cl 12909783 JJRJVAUWRIOPDA-UHFFFAOYSA-N 421.774 6.026 0 40 HKAB CSc1ccc([C@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccccc2)cc1 15412337 JZNLULDARNXOPR-DEOSSOPVSA-N 416.546 5.146 0 40 HKAB Cc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c(C)c1 15881167 GNRJYAKOCILSMV-UHFFFAOYSA-N 401.506 5.848 0 40 HKAB COc1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCCO5)cc1 21017650 DMAHYVNXYGIMRZ-UHFFFAOYSA-N 409.445 5.021 0 40 HKAB CCN(Cc1ccccc1)[C@@H](c1ccc(C(F)(F)F)cc1)c1nnnn1C(C)(C)C 26438809 CDJFIQCEUPRUOM-IBGZPJMESA-N 417.479 5.058 0 40 HKAB CC(C)c1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCCC2)cc1 28291843 RSOGVNYDSCGQCJ-OAQYLSRUSA-N 423.582 5.484 0 40 HKAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 32508803 VDGYSLKWJFBQCV-JQIJEIRASA-N 419.484 6.450 0 40 HKAB Clc1ccc(OCc2nn3cc(-c4ccc(Cl)cc4)c4c3n2CCCC4)cc1 32611756 NWOUMWIOJNGCDS-UHFFFAOYSA-N 412.320 6.025 0 40 HKAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)[C@H](C)Oc3ccccc3F)n2)cc1 32622918 ZEPSVILIIYYSDH-INIZCTEOSA-N 417.440 5.257 0 40 HKAB COc1cc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc(OC)c1Br 32753954 ZPUDBSSAUGOBNN-LBPRGKRZSA-N 418.287 5.046 0 40 HKAB CCn1nc(C)c2c(C(=O)N[C@H]3CCCc4ccccc43)cc(-c3ccc(C)cc3)nc21 36613203 CZEMHSIIGDLXFS-QHCPKHFHSA-N 424.548 5.542 0 40 HKAB CCOc1c(Br)cc(CNc2ccccc2Cl)cc1Br 37210762 GJJSUDRAZUOMMH-UHFFFAOYSA-N 419.544 5.876 0 40 HKAB CCc1ccc(OCc2nnc(SCc3ccc(Cl)cc3Cl)n2C)cc1 38536867 UYDBCQSVRCHKAE-UHFFFAOYSA-N 408.354 5.556 0 40 HKAB Cc1ccc([C@@H](NC(=O)N2c3ccccc3Sc3ccccc32)c2ccccc2)cc1 38752561 ZPNWKMSVLTWUNA-SANMLTNESA-N 422.553 7.097 0 40 HKAB C[C@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 44900454 INTWFMHMDJLWDA-SFHVURJKSA-N 409.551 5.816 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 44903031 YRVMTVZFKHWDQU-UHFFFAOYSA-N 403.865 6.546 0 40 HKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)cc1C 49005133 WXQBYRWURXOGJT-GOSISDBHSA-N 418.541 5.404 0 40 HKAB COc1ccc(CN(C)Cn2nc(Nc3cccc(C)c3C)sc2=S)cc1 57452424 HARJHQQWKAMCNI-UHFFFAOYSA-N 400.573 5.133 0 40 HKAB C[C@H]1CCCCN1Cc1ccc(CNC(=O)CCCc2c[nH]c3ccccc23)cc1 58088425 IYHRUCUJHCXZKF-FQEVSTJZSA-N 403.570 5.181 0 40 HKAB CC(C)(NCC(=O)Nc1cccc(Cl)c1Cl)c1ccc(Br)cc1 58325134 KIPMZIQJQAGXAX-UHFFFAOYSA-N 416.146 5.219 0 40 HKAB Clc1ccc(COc2ccccc2CNc2ccc(Br)cc2)cc1 59472327 IHQUDQGLUUFPLS-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C)cc2Cl)nc1 67294404 DJDXIQYJEDROIN-RWEWTDSWSA-N 419.868 5.288 0 40 HKAB O=C1S/C(=C/c2ccc3c(c2)CCCO3)C(=O)N1Cc1c(F)cccc1Cl 98086327 TVKHGJOQSQLYSY-VCHYOVAHSA-N 403.862 5.041 0 40 HKAB Cc1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(Cl)cc4)CC(O)=C32)cc1 100426691 WFAQSZPZOCFMGZ-NIYFSFCBSA-N 414.936 7.277 0 40 HKAB CCOc1ccc(/C=C2\SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1 103322288 FSYDRNFIXIJVMU-MFOYZWKCSA-N 423.321 5.498 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 104632581 WHFLVAOSAAWMKU-MOHJPFBDSA-N 424.456 5.482 0 40 HKAB Cc1ccc(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 107037579 OJYLPCSZRHPWIR-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)o2)cc1C 107808232 AECWMSPKSFGVDZ-UHFFFAOYSA-N 408.929 6.459 0 40 HKAB CC[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(C)c(C)c1 219265761 QMJLZSXTDWMXSP-RUZDIDTESA-N 419.590 6.356 0 40 HKAB Cc1ccccc1OC[C@H](C)NC(=O)c1cccc(OCc2ccccc2Cl)c1 219846557 GFFIJEBVWZLYBQ-SFHVURJKSA-N 409.913 5.425 0 40 HKAB Cc1ccc(-c2nnc(NC(=O)CSCc3c(F)cccc3Cl)s2)cc1 222990405 GHGHFCJARISMPV-UHFFFAOYSA-N 407.923 5.178 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1C(C)C 223332004 DAMKEWVBYNFXSR-MOPGFXCFSA-N 405.538 5.925 0 40 HKAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 223480948 DYEGQYLHPGVDBM-VWLOTQADSA-N 418.512 5.012 0 40 HKAB COc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccccc1C(C)(C)C 224168815 XPTKHGUMVPCUOZ-UHFFFAOYSA-N 407.485 5.963 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)cc1C 224260971 VXMIUKKEDLLVMP-BJKOFHAPSA-N 416.594 5.629 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccccc1Cl 224476353 FWVYTNNTBRNQQB-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc(OC)cc1 224603799 WRERZGOZAOKTJI-UHFFFAOYSA-N 419.521 5.850 0 40 HKAB COc1ccc(Cl)cc1C(=O)NCCSCc1c(Cl)cccc1Cl 225035736 XQPHQBNGSCXNOH-UHFFFAOYSA-N 404.746 5.319 0 40 HKAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 225743599 VHCNJFRTKUECHC-GOSISDBHSA-N 415.427 5.233 0 40 HKAB Oc1c(Br)cc(-c2nc3cc(Cl)ccc3o2)cc1Br 226291231 RTYVSOPPWMHWPS-UHFFFAOYSA-N 403.457 5.379 0 40 HKAB CCC[n+]1cc(Br)cc(-c2nc3ccc(Br)cc3s2)c1 226776758 VGKPYHANYIOLGL-UHFFFAOYSA-N 413.158 5.186 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2cccs2)cc1 245026595 NCCMNHMMIKNLBL-CVDCTZTESA-N 406.507 5.398 0 40 HKAB CC[C@](C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)(C(=O)c1ccccc1)c1ccccc1 245241011 WIASCYIKGZAQQR-IMKCGBLWSA-N 406.566 6.221 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OC 408559379 ZLRVWPFWXFBAFZ-UHFFFAOYSA-N 407.466 5.537 0 40 HKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3)n2)cc1 408696033 VIKJIUOZIFGVTD-UHFFFAOYSA-N 418.884 5.239 0 40 HKAB Cc1ccc(-n2nc(C(=O)NC3CCCCC3)cc2-c2cccc3ccccc23)cc1 408726606 SAUWYGBLYLOPNB-UHFFFAOYSA-N 409.533 6.063 0 40 HKAB COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(C)cc3)s2)cc1 408836819 VYZHKOVXDNMWBR-UHFFFAOYSA-N 400.503 6.046 0 40 HKAB CCc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 409117871 PFEDGTHOANEGRE-UHFFFAOYSA-N 420.767 7.400 0 40 HKAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1 409138385 AXZXYEZNZZVVHN-OQKWZONESA-N 402.519 5.455 0 40 HKAB CCCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 409349414 QVUHEAFBWQWIBA-LDADJPATSA-N 403.887 5.378 0 40 HKAB Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N[C@@H]1CCCc2nc(O)ccc21 560287214 BTDBIAQMFOOQNF-HSZRJFAPSA-N 423.516 5.047 0 40 HKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc(OC(C)C)c1 849006 HCCBTYXJCHQYTP-UHFFFAOYSA-N 402.450 5.543 0 40 HKAB CCc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccccc2)N3)cc1 865612 CKGNAHUNEYQPIZ-IEBWSBKVSA-N 414.431 5.358 0 40 HKAB CCOc1ccccc1C(=O)Nc1cc(C(=O)NC2CCCCC2)ccc1Cl 1006486 KFDUGPLOTCKUIG-UHFFFAOYSA-N 400.906 5.054 0 40 HKAB Nc1c(Br)cc2oc(-c3cccc4ccccc34)nc2c1Br 1305281 UZFSDARPWTYITR-UHFFFAOYSA-N 418.088 5.755 0 40 HKAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CCC(=O)N(C2CCCCC2)[C@H]1c1ccccc1 1394540 XCHHNSJUGPUFLF-VWNXMTODSA-N 424.972 5.269 0 40 HKAB COc1ccccc1/C=C/C(=O)Nc1nc(-c2ccc(Br)cc2)cs1 1782377 BFDQSIWCQACFEV-DHZHZOJOSA-N 415.312 5.233 0 40 HKAB Clc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1Cl 2214372 WSOOAHRWUTWXEN-UHFFFAOYSA-N 413.333 5.928 0 40 HKAB CCn1c(NC(=O)c2cccs2)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 2229687 JKKYXNFBKBPJDY-UHFFFAOYSA-N 408.910 5.656 0 40 HKAB Oc1c(Cl)c(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)c(Cl)c1Cl 2384303 RPXRFGDJHIVRSM-UHFFFAOYSA-N 411.326 7.633 0 40 HKAB biogenic,in-vitro CCCCCN(CCCCC)C(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12 2747470 UQKMSBAIWAXFKH-UHFFFAOYSA-N 416.609 7.341 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)NC(=O)c3ccc(Cl)cc3)ccc21 3220385 OZHIWXUPWSJDBN-HNNXBMFYSA-N 419.912 5.225 0 40 HKAB COc1ccc2oc(C(=O)Nc3nc(-c4ccc5ccccc5c4)cs3)c(C)c2c1 3285218 KSNVQTQAMJUGFM-UHFFFAOYSA-N 414.486 6.279 0 40 HKAB O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccccc1C(F)(F)F 3350747 YKWKICOFKVEMMQ-LJQANCHMSA-N 408.423 5.749 0 40 HKAB Cc1ccc(CSc2nnc(NC(=O)Cc3coc4cc(C)c(C)cc34)s2)cc1 3431594 HALAEKXAWXEICR-UHFFFAOYSA-N 423.563 5.683 0 40 HKAB CN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C1c1ccccc1 3437694 QTQYXRHOSGXTSW-OAQYLSRUSA-N 417.896 5.086 0 40 HKAB O=C(Nc1ccccc1)OCCc1ccc(CCOC(=O)Nc2ccccc2)cc1 3844723 HEETWVBNHUGUPP-UHFFFAOYSA-N 404.466 5.269 0 40 HKAB biogenic Cc1cc(Br)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 4526057 BPLBYESUUXKKCI-SNVBAGLBSA-N 403.103 5.470 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3cccnc3)C[C@H]21 4715648 LLRGCXNJMOOSRO-NFBKMPQASA-N 405.885 5.376 0 40 HKAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(C)c2)n2c(nc3ccccc32)N1 4787258 DQOXWKJIVPUEQV-QHCPKHFHSA-N 401.510 5.510 0 40 HKAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2cc(-c3ccc(Br)cc3)on2)C1 4880584 ZQAUUIWVNVKDJY-YWZLYKJASA-N 403.320 5.145 0 40 HKAB CCOC(=O)c1sc(N2N=C3CCCC[C@H]3[C@@H]2c2ccc(OCC)cc2)nc1C 4931392 VCVCOYQFEAHTTM-MJGOQNOKSA-N 413.543 5.134 0 40 HKAB Cc1ccc2c(c1)[C@H]1CC(c3ccccc3Cl)=NN1C1(CCN(C(C)C)CC1)O2 5297342 KAJBUMKEKNZLFR-JOCHJYFZSA-N 409.961 5.392 0 40 HKAB Cc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 5322535 GKHWMQQDODQXSY-OAQYLSRUSA-N 416.864 5.208 0 40 HKAB CCc1ccc(NC(=O)[C@H](C)Sc2ncnc3scc(-c4ccccc4)c23)cc1 5860793 BZNJJBRWLGDSFZ-HNNXBMFYSA-N 419.575 6.040 0 40 HKAB Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1[C@@H](C)c1ccccc1 6097015 LMWDOTPOYCCVCK-KRWDZBQOSA-N 408.571 5.007 0 40 HKAB CCc1ccc(N2C(C(C)=O)=NN(c3ccc(C)cc3)[C@H]2c2ccc(C)s2)cc1 6247152 MVRGSKFUPVJKNL-DEOSSOPVSA-N 403.551 5.855 0 40 HKAB Cc1cc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)n(-c2ccccc2)n1 6281417 YYSLCWOTVYCEHJ-UHFFFAOYSA-N 413.506 5.142 0 40 HKAB Cc1cccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 6968439 QASWWSAOZUKLRZ-ATVHPVEESA-N 409.411 5.659 0 40 HKAB O=C(c1ccc(COc2ccccc2)o1)N1CCC(c2nc3ccccc3o2)CC1 8040018 HPBWVAJJSYDIBJ-UHFFFAOYSA-N 402.450 5.020 0 40 HKAB CCc1ccc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 8086969 UKEXIYWVIFZQIT-UHFFFAOYSA-N 405.277 5.938 0 40 HKAB COc1ccc(OC)c([C@@H]2CCCN2c2nc(-c3cccnc3)nc3ccccc23)c1 8156179 VBCMQVPULLODMP-QFIPXVFZSA-N 412.493 5.051 0 40 HKAB COc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)c3nccnc3n2)cc1Cl 9074684 PZGUGWVCJXNBIP-UHFFFAOYSA-N 406.877 5.186 0 40 HKAB COc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2c2ccccc2)cc1 9110378 ZJJBVIYPTSSIOF-HSZRJFAPSA-N 415.880 5.489 0 40 HKAB Cc1ccc(-c2csc(Cc3nc(-c4ccc5c(c4)CC(=O)N5C)cs3)n2)cc1 9575472 DQUBYFXVZXKHHT-UHFFFAOYSA-N 417.559 5.352 0 40 HKAB CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(OCc3csc(C)n3)cc2)cc1 9585987 YGAWYCHGNZMTJR-HSZRJFAPSA-N 422.550 5.407 0 40 HKAB COc1ccc(-c2cnc3c(-c4ccccc4)c(COc4ccccc4)nn3c2N)cc1 12843935 AKNOHPQJWRNUJR-UHFFFAOYSA-N 422.488 5.233 0 40 HKAB CC(C)OC(=O)C[C@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1Cl 14018536 MEMAOHCPSAHGOL-KRWDZBQOSA-N 413.823 5.172 0 40 HKAB O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1CNc1ccccc1Br 14921208 INWQDWLCWQIMHT-OQLLNIDSSA-N 423.719 5.208 0 40 HKAB C/C(=C\c1ccccc1)[C@@H]1C(=O)N(c2ccc(C)c(C)c2)CC(=O)N1c1ccc(C)cc1 15412671 XWEYPVZUJUASBR-POVALPJUSA-N 424.544 5.464 0 40 HKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 15833200 ZAKQQMOXWCYPPZ-KRWDZBQOSA-N 422.594 5.767 0 40 HKAB Cc1cccc(-c2cc(NCc3ccco3)nc(SCc3ccc(Cl)cc3)n2)c1 15859164 DTPLNOTWPGKIPW-UHFFFAOYSA-N 421.953 6.603 0 40 HKAB CC(C)c1ncc(-n2nnnc2-c2ccccc2)c(-c2ccc(Cl)c(Cl)c2)n1 16576008 ZXQPWJQDAUQJMD-UHFFFAOYSA-N 411.296 5.217 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)oc2c1 17088553 XYRLXGSQMLHIGS-NTEUORMPSA-N 410.517 6.887 0 40 HKAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCc2sccc2[C@H]1c1cccs1 19561024 ZIONVVGVJAQLOP-SFHVURJKSA-N 423.588 5.424 0 40 HKAB CCc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3n2)cc1 20610160 BADWGLIOOWGVMS-CXUHLZMHSA-N 410.521 5.758 0 40 HKAB C[C@H](NCCc1ccc(Cl)cc1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 23882532 JUUMETXDVKVNKK-AWEZNQCLSA-N 409.942 5.198 0 40 HKAB O=C(O[C@]1(c2nccc3ccccc23)CCCN(Cc2ccccc2)C1)c1ccccc1 31750140 WJRVMNZDYSDDGO-MUUNZHRXSA-N 422.528 5.583 0 40 HKAB Cc1cccc(Cc2cnc(NC(=O)C(=O)c3c(C)[nH]c4ccccc34)s2)c1Cl 31836320 VTIHZSKFJUETQK-UHFFFAOYSA-N 423.925 5.307 0 40 HKAB Cc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1Cl 32578541 JDFBLKASKGUOSI-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB O=C(Nc1ccccc1-c1cccs1)c1ccccc1I 32857916 UNJGEFZQHIYGBK-UHFFFAOYSA-N 405.260 5.272 0 40 HKAB COCCCNC(=O)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1 32907819 YVTOFIQDTNESMQ-OQKWZONESA-N 407.535 5.020 0 40 HKAB COc1cccc2cc(C(=O)Nc3nnc(-c4cc(Cl)sc4Cl)o3)oc12 35586439 MUHIMDOXDWFOMY-UHFFFAOYSA-N 410.238 5.112 0 40 HKAB CCOC(=O)c1cc2c3ccccc3n(C)c2cc1N1CCC[C@@H](C(F)(F)F)C1 36624725 JYFIYSZUZHELHJ-CQSZACIVSA-N 404.432 5.287 0 40 HKAB CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](c3nc4ccccc4[nH]3)C(C)C)o2)cc1 40157389 MBVAMXDAXNZSOO-QFIPXVFZSA-N 401.466 5.153 0 40 HKAB Cc1ccccc1NC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21 40307436 PFBUHYBWLXZVOC-UHFFFAOYSA-N 410.304 5.957 0 40 HKAB COc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 40485285 LZHHFZFFEFIRLP-QFIPXVFZSA-N 405.881 5.401 0 40 HKAB Cc1ccc2c(Nc3ccc(F)c(Cl)c3)c(C(=O)N3CCCC[C@H]3C)cnc2n1 49005171 VEOXUSJSHRCDLF-CQSZACIVSA-N 412.896 5.489 0 40 HKAB Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3cc(Cl)ccc3Cl)n2)cc1 49006902 HGICNVODRIRTMN-UHFFFAOYSA-N 402.281 5.085 0 40 HKAB O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccc(Cl)nc1Cl 60098809 RCIAKSIWVGVFLO-UHFFFAOYSA-N 418.227 5.783 0 40 HKAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(Cl)c(C)c3)oc12 67299129 SFOXTVJRXWTADF-RWEWTDSWSA-N 422.868 5.159 0 40 HKAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N(c1ccccc1F)C1CCCC1 72300863 LQQNERITTVQNKE-UHFFFAOYSA-N 414.427 5.667 0 40 HKAB O=C(CCc1ccccc1)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 72349045 NBECVKNJSQHTHH-QFIPXVFZSA-N 402.513 5.150 0 40 HKAB O=C(CCc1ccc(Cl)cc1)N1CCC[C@@H](c2n[nH]cc2-c2cccc(F)c2)C1 72380389 HYVPBAYWBLHNDU-GOSISDBHSA-N 411.908 5.208 0 40 HKAB COCCn1c(C(=O)Nc2ccc(C)cc2F)cc2c1c1ccccc1n2C(C)C 96037319 ZYWXCDPQMKSRRJ-UHFFFAOYSA-N 407.489 5.523 0 40 HKAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@]2(CCCN2Cc2ccccc2Cl)C1 96214562 WXZDHUDJEOSWAH-QHCPKHFHSA-N 417.380 5.193 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@@H](c4cccs4)C3=C(O)C2)cc1OC 102740092 XNGOKXJGXLVDES-JLCFBVMHSA-N 422.506 5.669 0 40 HKAB Cc1cccc(Oc2ccc(N3C(=O)c4ccc5c6c(ccc(c46)C3=O)CC5)cc2)c1 107363033 CUNGSXBAWDMNRE-UHFFFAOYSA-N 405.453 5.840 0 40 HKAB O=C(Nc1ccccc1)/C(=C\c1cccnc1Cl)C(=O)Nc1ccc(Cl)cc1 215737438 ICHFZBNKWMMXHL-QGOAFFKASA-N 412.276 5.049 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219350583 DEYHHALLKLWABF-XZOQPEGZSA-N 419.521 5.424 0 40 HKAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 223552692 BVKLVQRPGFPXLM-QFIPXVFZSA-N 422.613 5.119 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)c1 224252105 PGYHITCBDBACFU-XZOQPEGZSA-N 402.567 5.484 0 40 HKAB CC(C)(C)c1ccc(OCCNC(=O)N2c3ccccc3Sc3ccccc32)cc1 224317295 XZANOGYHAAXTSB-UHFFFAOYSA-N 418.562 6.375 0 40 HKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1ccc(Cl)cc1 224525532 JSTWMJDLTVLVNT-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccccc1C(C)C 224564045 DIBQYFMAIGULIS-UHFFFAOYSA-N 417.549 6.657 0 40 HKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1CN1CCCCC1 224827642 WDGMVMSJVHMUPD-FQEVSTJZSA-N 408.586 5.054 0 40 HKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSc1ccccc1 225004792 GQWKXHNXPXFORM-HSZRJFAPSA-N 424.610 5.035 0 40 HKAB C[C@@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)C1 225503584 CIJHGXXGYUNNPS-OAQYLSRUSA-N 406.570 5.248 0 40 HKAB CCCCn1c(SCc2ccc(F)cc2)nc2c(-c3ccccc3)c[nH]c2c1=O 225547953 OHYCEDNEONUMCI-UHFFFAOYSA-N 407.514 5.623 0 40 HKAB NC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 226339763 OZKGIJNJINDPSJ-UHFFFAOYSA-N 409.494 5.087 0 40 HKAB O=C(CSc1nc2ccccc2s1)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21 408542269 IAPJZVQXXRVAGX-YJBOKZPZSA-N 408.573 5.391 0 40 HKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(C)cccc2C)cc1 408679263 VSBHTPBQOCDXDN-UHFFFAOYSA-N 412.489 5.443 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(C)c3)n2)cc1 408695857 UBYSMFLUYKKHPF-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)c1 408700117 YXAKPUOVNPLQMU-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1ccccc1NCc1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 409122072 YTAZBYAWVQELKM-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB CCOc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1F 409192812 BQOCNBZGPYWOFH-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB Clc1ccc(NCc2cccc(OCc3cccc4ccccc34)c2)cc1Cl 409204201 DKHKCMROMWWJGF-UHFFFAOYSA-N 408.328 7.338 0 40 HKAB CCCOc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 409364696 YCKLELIOHQKWDY-WOJGMQOQSA-N 403.887 5.378 0 40 HKAB CC(C)CC[C@H](O)[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 1529045331 RZPAXNJLEKLXNO-BOULPIPRSA-N 402.663 6.360 0 40 HKAB O=C(NC(=S)Nc1c(F)cc(F)cc1Br)c1cccc2ccccc12 1098804 ORPYUFCTMINPHF-UHFFFAOYSA-N 421.266 5.007 0 40 HKAB COc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(F)cc3)C3CCCCC3)cc2c1 1327304 AAOJLLQMQUKBGE-UHFFFAOYSA-N 423.488 5.043 0 40 HKAB CC(C)N(C(=O)CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)C(C)C 1332767 CFXGJLOBGNZDKE-UHFFFAOYSA-N 403.617 5.185 0 40 HKAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1cccc(Cl)c1Cl 1359060 JYWOGYQKVMNBHC-UHFFFAOYSA-N 420.365 5.421 0 40 HKAB Clc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccccn4)ncnc32)cc1 1447590 SFMKCGGVWSZIFA-UHFFFAOYSA-N 411.896 5.748 0 40 HKAB CCCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3C)coc2c1 1915418 YJGKMGLAGBTWKJ-KRWDZBQOSA-N 410.466 5.231 0 40 HKAB Clc1ccc([C@H](Nc2ccccc2)c2nnnn2C2CCCCC2)c(Cl)c1 2065969 DVYAQYNPPABTJI-IBGZPJMESA-N 402.329 5.687 0 40 HKAB Cc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4cccc(C)c4)C(=O)N32)c1 2152734 LGUNDKIDZSDIJC-ZCYQVOJMSA-N 421.500 5.268 0 40 HKAB biogenic Cc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)c(C)c1 2197165 DXHNFIRXQIIRFI-UHFFFAOYSA-N 418.587 5.845 0 40 HKAB CCCCCOC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 2414757 ZFEHBPZVYKUJCC-UHFFFAOYSA-N 406.530 5.404 0 40 HKAB CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)c3cccs3)ccc2c1=O 2415699 DUPCEMUEXOONHT-UHFFFAOYSA-N 422.458 5.573 0 40 HKAB biogenic Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)c(C)c1 2593448 DPKBQVFYFKLTCK-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB Fc1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)cc1 2628159 UCXBCCWTTUPTHH-UHFFFAOYSA-N 405.454 5.094 0 40 HKAB CCOC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CC[C@H](C(C)(C)C)C2 2734426 YQBPYQLTEKJLMZ-MARXPDLDSA-N 417.596 5.789 0 40 HKAB Cc1sc(NC(=O)c2cnccn2)c(C(=O)OC(C)C)c1-c1ccc(C(C)C)cc1 2761805 GQPVIQJAVHCSPC-UHFFFAOYSA-N 423.538 5.454 0 40 HKAB COc1ccc(Cn2ccc(=O)c(OCc3c(Cl)cccc3Cl)c2C)cc1 3128604 FLRVGNKBQGBZGY-UHFFFAOYSA-N 404.293 5.099 0 40 HKAB C[C@@H]1CCc2c(sc(NC(=O)c3ccccc3Oc3ccccc3)c2C(N)=O)C1 3187473 PJRFNTSZRXQENN-CQSZACIVSA-N 406.507 5.016 0 40 HKAB Cc1cc(C)c(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1 3299682 GXNNLJMNDHTNHQ-UHFFFAOYSA-N 405.338 5.667 0 40 HKAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 4504462 MBIFSBGUAGHJOR-UHFFFAOYSA-N 421.570 5.015 0 40 HKAB CCc1ccc(N(CC(=O)c2ccc(Cl)cc2Cl)C2=NCCCS2)cc1 4575301 LTMMMWAZQTYWCD-UHFFFAOYSA-N 407.366 5.738 0 40 HKAB Brc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccccc2)c1 4818954 PYRDQZSPENAPOL-UHFFFAOYSA-N 401.267 5.398 0 40 HKAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)c1C 6215506 IWGSVWYFZCFABH-LJQANCHMSA-N 400.478 5.087 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc(Br)c1 6237051 LKSHIVKDURMAQU-UHFFFAOYSA-N 410.355 6.169 0 40 HKAB COc1c(C)cccc1C(=O)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1 6302667 RIIPMZMUDDSIOG-UHFFFAOYSA-N 408.461 5.143 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)C(Cl)(Cl)Cl)c3)nc2c1 6440205 IPSCZNUZRASUFO-LLVKDONJSA-N 411.716 6.317 0 40 HKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1C 6613872 MHSQQVFKGUPMQK-UHFFFAOYSA-N 422.956 6.203 0 40 HKAB COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C3C=Cc4ccccc4N32)cc1 6831711 XLBCYUJYPMZHMX-AREMUKBSSA-N 418.500 5.856 0 40 HKAB Cn1ccnc1[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 8135948 FYKJBULRZFVSRQ-QHCPKHFHSA-N 415.924 5.111 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)C(Cl)(Cl)Cl)cc3)nc2c1 8198137 FSFTTYALHXZGNR-NSHDSACASA-N 411.716 6.317 0 40 HKAB COc1cccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc(C)cc2)c1 9215893 UEWBCTVVTILMEE-UHFFFAOYSA-N 419.864 5.683 0 40 HKAB CCCn1nc(NC(=O)c2ccc(C(C)(C)C)cc2)c2cc3ccc(C)cc3nc21 9320641 YTJXYTWRNGCLDX-UHFFFAOYSA-N 400.526 5.853 0 40 HKAB Clc1ccccc1-c1nnc(SCc2nnsc2Cl)n1C1CCCC1 9514059 AZQOZIGCHMPMNB-UHFFFAOYSA-N 412.371 5.511 0 40 HKAB C[C@H]1Oc2ccc(NC(=O)c3ccccc3SCc3ccsc3)cc2NC1=O 9908940 FHUNXGOQFDVVQV-CYBMUJFWSA-N 410.520 5.012 0 40 HKAB Cc1cc(C(=O)Nc2c(C)cccc2C(C)C)ccc1NS(=O)(=O)c1ccccc1 10328724 VYTFLMCMNYFNKP-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC(C)C)cc4)=NN32)cc1 12273724 QNHVIRAUOIERIW-AHWVRZQESA-N 414.505 5.725 0 40 HKAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)Cc1c(Cl)cccc1Cl 12599857 FNGJGPPNHDHUKP-IYOUNJFTSA-N 401.330 5.083 0 40 HKAB CC[C@@H](NC(=O)c1sc(NC(=O)C2CC2)cc1C)c1ccc(Br)cc1 12782818 ZMJWMMOESVXAAO-OAHLLOKOSA-N 421.360 5.049 0 40 HKAB Cc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c2c(-c3ccccc3)noc2n1 13641704 PHMYSSJPSSBAHT-UHFFFAOYSA-N 411.505 5.293 0 40 HKAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 14396946 DIPVDTYEKFDPAY-GOSISDBHSA-N 407.535 5.702 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 14401025 VSOIIUAKDFJKBF-AWEZNQCLSA-N 414.288 5.630 0 40 HKAB COCc1nn2c(-c3ccc(Cl)cc3)cc(C)nc2c1-c1ccc(OC)c(OC)c1 15107274 CRMZKHALNDAORD-UHFFFAOYSA-N 423.900 5.189 0 40 HKAB O=C(C[C@H](Sc1cccc(Cl)c1Cl)c1ccccc1)c1ccc(F)cc1 16477301 XEQIDXYGZDLHQO-FQEVSTJZSA-N 405.321 7.239 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3O)o2)cc1Cl 17089410 MLDLLWZMUUIQJN-PKNBQFBNSA-N 412.898 5.140 0 40 HKAB CCNc1nnc(S[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 18662904 PTNTUENKUDKWGK-ZCFIWIBFSA-N 411.767 5.049 0 40 HKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1 19691295 QDUMSAQYGFIGDK-XMMPIXPASA-N 417.484 5.132 0 40 HKAB C[C@@H](Sc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20238500 JRAQADPTWRWWJI-OAQYLSRUSA-N 416.590 5.101 0 40 HKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 20484977 JAMPTXFPJBBODP-DEOSSOPVSA-N 416.521 5.030 0 40 HKAB O=C(CSc1nc2ccc(Br)cc2[nH]1)Nc1cccc2ccccc12 20765246 MPANVCNIDUCZLO-UHFFFAOYSA-N 412.312 5.209 0 40 HKAB O=C(NC[C@@H](c1ccc(Br)cc1)c1c[nH]c2ccccc12)c1ccco1 27744711 IYMJPEYXYMUFHX-KRWDZBQOSA-N 409.283 5.085 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccccc2SCc2ccccc2)cc1 30860171 JUABTGHMWZUNIG-XMMPIXPASA-N 419.590 6.505 0 40 HKAB COc1cccc([C@H]2CC(O)=Nc3nc(N)sc32)c1OCc1cccc(Cl)c1 32074875 AYSRXOVNOFQIGR-CQSZACIVSA-N 415.902 5.090 0 40 HKAB CC[C@@H](NCc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1)c1ccc(C)cc1 33040124 FDCFTFYWRQSVIN-LJQANCHMSA-N 423.969 5.854 0 40 HKAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(Cc2c(Cl)cccc2Cl)CC1 44933017 INTGVYHNXJYILR-QFIPXVFZSA-N 417.380 5.399 0 40 HKAB COc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 44933157 WPSDYLYZVFCUGS-QAPCUYQASA-N 421.368 5.091 0 40 HKAB Fc1ccc(CSc2nccn3nc(-c4cccc5ccccc45)cc23)c(Cl)c1 45925279 KGSKIPBLGCEQJW-UHFFFAOYSA-N 419.912 6.634 0 40 HKAB CC(=O)c1ccc(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)cc1 48333314 QHFAYJGOOGFMQW-UHFFFAOYSA-N 411.255 5.091 0 40 HKAB Cc1ccc(C(=O)N2CCC(c3nc4cc(C(F)(F)F)ccc4s3)CC2)cn1 48354216 LCAOTVNZVSMWAS-UHFFFAOYSA-N 405.445 5.038 0 40 HKAB O=C(CN[C@H](c1ccccc1)c1cccs1)Nc1ccc(N2CCCCC2)cc1 57289786 XVSADSWUCWGNDG-XMMPIXPASA-N 405.567 5.056 0 40 HKAB Brc1cccc(Nc2nc(-c3cccc(Br)c3)cs2)c1 67321936 ZTXMRIYNGXWJGZ-UHFFFAOYSA-N 410.134 6.079 0 40 HKAB Cc1cc(C)c(CSc2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)c(C)c1 71327563 PYJOHTZXYRRSEH-UHFFFAOYSA-N 424.566 5.863 0 40 HKAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C(C)=O)c2)C12CCCC2 72401229 UDQFZDDNHXYBAZ-HXOBKFHXSA-N 418.537 5.179 0 40 HKAB CCc1c(Br)c(N)c(Br)c2nc(-c3cccc(C)c3)oc12 73642706 OGLVBCDBOXXXRZ-UHFFFAOYSA-N 410.109 5.473 0 40 HKAB c1ccc2c(Cc3nn4c(C56CC7CC(CC(C7)C5)C6)nnc4s3)cccc2c1 80346169 GTFCNHVRWIKRGI-UHFFFAOYSA-N 400.551 5.398 0 40 HKAB O=C1c2cccc3c(Br)ccc(c23)C(=O)N1c1cccc(C(F)(F)F)c1 95471114 XAYAJOXTHCVEJK-UHFFFAOYSA-N 420.184 5.422 0 40 HKAB Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C(=O)N(C)C)cc1F 96037377 TXFMXWRWBNOLCX-UHFFFAOYSA-N 420.488 5.406 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(F)cc4)C3=C(O)C2)cc1 100424641 IWRPQRDPBCLUKE-DWXRJYCRSA-N 414.480 6.463 0 40 HKAB CCOC(=O)Nc1ccc(NC(=O)OCC)c2c1[C@@H]1C=C[C@@H]2[C@@]23C=C[C@@]12CC=CC3 101048801 SVKMCRRMXIRDJM-FLBGIQCYSA-N 406.482 5.467 0 40 HKAB c1ccc2c(-c3ccc(Nc4ccc(-c5cccc6ccccc56)cc4)cc3)cccc2c1 168170857 GHXQNCKAIFMFCN-UHFFFAOYSA-N 421.543 9.071 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C)n(Cc4ccco4)c3C)N21 222682969 DCJAQUZZJNRZNH-ZPMCFJSWSA-N 406.555 5.121 0 40 HKAB CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1)c1ccc2c(c1)CCCC2 223123616 IFNYCQWQHPRAOO-NOZRDPDXSA-N 408.561 5.184 0 40 HKAB S=C(NCc1ccc(Cl)cc1)Nc1ccc(Nc2ccc3ccccc3c2)nc1 223931721 MLCGSIYRGOHTOL-UHFFFAOYSA-N 418.953 6.118 0 40 HKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 224406517 BBTQEHQSYMMILO-DHIUTWEWSA-N 420.557 5.705 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1cc(C)cc(C)c1C 224611364 YYAPBMGMKCEEEH-UHFFFAOYSA-N 419.521 5.850 0 40 HKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 225100052 LKHGDULUKXQGHP-VWLOTQADSA-N 416.565 5.106 0 40 HKAB O=C(CCc1ccc(Cl)cc1)NCCSCc1c(Cl)cccc1Cl 225303582 PNZVRBUBQAORAA-UHFFFAOYSA-N 402.774 5.629 0 40 HKAB CSc1cccc(NC(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)c1 225832280 MGTAHLKLEXKEQF-UHFFFAOYSA-N 415.518 5.697 0 40 HKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(Cl)c(F)c2)C1 257320116 VVLCXWMQXSSGBL-VWPQPMDRSA-N 423.887 5.122 0 40 HKAB CCC1(CC)C[C@H](NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)c2ccccc2O1 260762380 IHPUXPYBGSUASL-RDPSFJRHSA-N 420.597 5.731 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc2)c1 408644298 SJGBZMHKDGAQCO-QGZVFWFLSA-N 420.896 5.432 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2cccc(Cl)c2)c1 408698760 PENIXNBHEHAAGR-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(Cl)cc2Cl)S1 408812562 SRJRAONWJWYZHV-UHFFFAOYSA-N 414.721 5.418 0 40 HKAB O=C(c1ccncc1)n1nc(Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1 575443115 OUJRVTKNTCOEEF-UHFFFAOYSA-N 424.291 5.761 0 40 HKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(-c2ccc(Cl)cc2Cl)o1 1000795 OFSMZRSTDDIHNH-UHFFFAOYSA-N 408.284 6.758 0 40 HKAB CCCC(=O)Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 1302298 SIIIXQCZTMFNHC-UHFFFAOYSA-N 409.283 6.149 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccc(F)cc3)cc2c1 1327136 DNNOCCYOCDNWHJ-UHFFFAOYSA-N 419.456 5.057 0 40 HKAB Cc1ccc(C)c(CN2C(=O)C(C)(C)Oc3ccc(C(=O)Nc4ccccc4)cc32)c1 1342397 VXDCSCLGUWLZBQ-UHFFFAOYSA-N 414.505 5.260 0 40 HKAB COc1ccc(NC(=S)NCC[C@@H]2[C@H](c3c(C)[nH]c4ccccc34)C2(C)C)cc1 1404506 ZZDCOZXHCBYOND-DENIHFKCSA-N 407.583 5.601 0 40 HKAB CCN(CC)CCOC(=O)[C@H]1[C@@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 1699498 KBRRUVKSKDQSOP-CLJLJLNGSA-N 413.561 5.271 0 40 HKAB Cc1cccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 1858820 OUEDJDJCIUOWID-UHFFFAOYSA-N 421.488 5.131 0 40 HKAB COc1ccc2c(c1)-c1c(ccc(OC)c1O)C[C@H](CCc1ccccc1)N(C)CC2 1999551 IORHSKBXWWSQME-QFIPXVFZSA-N 417.549 5.108 0 40 HKAB biogenic,in-man Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)N[C@H](C)c3ccccc3)c2c1 2079797 KCZFBCWHCRSHKO-GOSISDBHSA-N 414.936 6.663 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4)ccc3o2)cc1C 2230450 OUUCHXAFOKFSFD-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB CSc1nc(Cl)c2sc3nc(CC(C)C)c4c(c3c2n1)CC(C)(C)OC4 2231412 VSHGKNDPLBSZEX-UHFFFAOYSA-N 407.992 5.665 0 40 HKAB c1ccc(Oc2ccc(-n3c(-c4ccccc4)nc4nc5ccccc5nc43)cc2)cc1 2249021 XILVGDJIPILMBA-UHFFFAOYSA-N 414.468 6.428 0 40 HKAB CC(C)[C@@H](CCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2)c1ccco1 2250925 YOUAOMLJQBSGFO-LJQANCHMSA-N 422.594 6.554 0 40 HKAB CCOc1cccc(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 2358215 DNDNOVYPPVOVFM-UHFFFAOYSA-N 420.896 5.195 0 40 HKAB Clc1ccc2c(c1)C1=C([C@@H](c3cccs3)O2)[C@H](c2ccccc2)n2ncnc2N1 2707247 HVKOWBOZZXKVRD-LEWJYISDSA-N 418.909 5.553 0 40 HKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(N[C@@H]4C[C@@H](C)CC(C)(C)C4)ncnc32)c1 2714919 POPIZNUTAKRJLD-IFMALSPDSA-N 424.592 7.023 0 40 HKAB O=C(NCCCc1ccccc1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2745281 SXMXDUXKFKTJMY-UHFFFAOYSA-N 406.938 5.979 0 40 HKAB Cc1ccccc1Cn1c(-c2ccc(Cl)nc2)nc2cc(Cl)c(Cl)cc21 3050962 SVTXUKOHZVNHOF-UHFFFAOYSA-N 402.712 6.415 0 40 HKAB CC1CCN(C(=O)COC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)CC1 3303474 YUUILADFWMDATO-UHFFFAOYSA-N 420.745 5.277 0 40 HKAB Cc1c(CCNC(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1 3647988 KIHCZOHIGVWKBL-UHFFFAOYSA-N 402.925 5.624 0 40 HKAB FC(F)(F)c1cccc(SCc2nc(Cl)c3c4c(sc3n2)CCCC4)c1 3887565 XCDNOLGAYDIRDK-UHFFFAOYSA-N 414.905 6.535 0 40 HKAB COc1ccc(CCC(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)cc1 4063098 ABYXJEJGDQEVCS-UHFFFAOYSA-N 403.507 5.247 0 40 HKAB CC(=O)c1sc(NC(=O)c2ccc(Br)s2)nc1-c1ccccc1 4070185 JIFRDLYUXHVDMT-UHFFFAOYSA-N 407.314 5.089 0 40 HKAB Cc1cc2cc(CN(Cc3cccs3)C(=O)c3ccccc3F)c(=O)[nH]c2cc1C 4231059 OPHSBOUXECLGHW-UHFFFAOYSA-N 420.509 5.188 0 40 HKAB N#CC(=Cc1cccc(OCc2c(F)cccc2Cl)c1)c1nc2ccccc2[nH]1 4423469 KNZYYRPVSOKEQI-UHFFFAOYSA-N 403.844 5.999 0 40 HKAB CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C)c(Cl)c3)c2c1 4610380 DTXHZXGHYPOGCY-UHFFFAOYSA-N 400.909 6.678 0 40 HKAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(C)cc2)n2c(nc3ccccc32)N1 4742055 ZGAPYHXAIPPAKC-HSZRJFAPSA-N 412.468 5.411 0 40 HKAB CC[C@]1(C)Cc2c(sc3nc(SC(C)C)n(Cc4ccccc4)c(=O)c23)CO1 4784824 FBMHARCHXIRPBT-JOCHJYFZSA-N 414.596 5.248 0 40 HKAB CC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1c1cccs1 5022519 BNUUKLIOWBJNLM-QFIPXVFZSA-N 412.518 5.298 0 40 HKAB CSc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 5178028 ZIVSFWWZMHBQBX-RDPSFJRHSA-N 416.502 5.380 0 40 HKAB CCOC(=O)c1c(-c2cccc(OC)c2)csc1NC(=S)Nc1ccccc1 5332610 FNFKSDWNWRIGFF-UHFFFAOYSA-N 412.536 5.409 0 40 HKAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2Cl)cc1 5365941 QKNXOHMZZCLOIW-HNNXBMFYSA-N 408.885 5.371 0 40 HKAB CCCCN1C(=O)[C@]2(Nc3ccccc3-c3nc4ccccc4n32)c2cc(C)ccc21 5453415 QGSGUZXBLMOXLB-SANMLTNESA-N 408.505 5.285 0 40 HKAB CCCc1ccc(-c2nc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](C5=C(C)C)[C@H]4C3=O)sc2C)cc1 5672061 AXVSKANOWZGUET-NZXJAIKPSA-N 420.578 5.553 0 40 HKAB CCc1cc([C@H](c2cccc(F)c2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 5677877 LDLNVECTOLWOHN-QHCPKHFHSA-N 422.569 6.277 0 40 HKAB O=C(CCCSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccccc1 6927776 FFYDXCWTDPUYQZ-UHFFFAOYSA-N 418.949 6.705 0 40 HKAB CCc1ccc(CCC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 7986832 GTISGTDQHYRZKF-UHFFFAOYSA-N 402.494 5.081 0 40 HKAB Cc1cccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccc(Cl)cc2)c1C 8476597 GDXIGIYKOHSQEZ-UHFFFAOYSA-N 416.912 5.135 0 40 HKAB Cc1nc2ccccc2nc1CS[C@H](C)C(=O)N1CCC(Cc2ccccc2)CC1 9596559 AMFZZAQNVWDNQC-LJQANCHMSA-N 419.594 5.041 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CCc1csc(NC(=O)c2ccc(F)cc2)n1 11835135 XXIYKXPSLFOJLS-UHFFFAOYSA-N 417.893 5.068 0 40 HKAB Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)c1 12062699 XQWKSJOBRZXEJV-XMMPIXPASA-N 424.500 5.678 0 40 HKAB CCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN23)cc1 12192239 SPPJASBVBZPPEC-VPUSJEBWSA-N 412.533 6.416 0 40 HKAB COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 13540956 PXZBXUACWJKEFM-XXBNENTESA-N 412.917 5.177 0 40 HKAB biogenic O=C(OCc1nc2ccccc2n1C(F)F)c1ccc2noc(-c3ccccc3)c2c1 14902958 SJBMSZYNOMBTAA-UHFFFAOYSA-N 419.387 5.597 0 40 HKAB Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)N[C@H]3CCCc4ccccc43)s2)cc1 16046127 VRMASUUEEIVOSZ-KXBFYZLASA-N 424.595 5.265 0 40 HKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(OCC(C)C)cc1 16284443 JNSLWXRALKMYLW-UHFFFAOYSA-N 418.472 5.155 0 40 HKAB C/C(=C\c1ccccc1)CN1CCC([C@@H](NC(=O)C(C)(C)C)c2ccccn2)CC1 19014352 IVWAMGFTACIZTK-DCCWQCMWSA-N 405.586 5.101 0 40 HKAB CCOc1cc(CN[C@@H](C)CC)cc(Br)c1OCc1ccc(C)cc1 20573273 ZNMLYDXPWJUNHG-INIZCTEOSA-N 406.364 5.623 0 40 HKAB CC(C)Sc1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20612833 YMDIZKVJBWQGGX-UHFFFAOYSA-N 409.938 6.324 0 40 HKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(-c5ccccc5)o4)c3)oc2cc1C 21578784 QIYSJGYRNLGLJY-UHFFFAOYSA-N 422.484 6.932 0 40 HKAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 21787510 ILLJDUNFIYNPJN-JOCHJYFZSA-N 411.933 5.232 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)cc1 22533664 FYPDXYHNQSSAPF-YSRPOPIVSA-N 401.506 5.512 0 40 HKAB CC(C)Cn1cnc2c(NC(=O)c3ccc(Cl)nc3Cl)nc3ccccc3c21 27986537 COJHEZMUPLLDNZ-UHFFFAOYSA-N 414.296 5.195 0 40 HKAB Cc1cc2oc(C(=O)NC[C@H](c3cccs3)N3CCCCC3)c(C)c2cc1Cl 27991534 ZEOMDWSAHNAJHL-GOSISDBHSA-N 416.974 5.722 0 40 HKAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 30943734 WSPBQJJAYHNRJV-PKOBYXMFSA-N 419.396 5.343 0 40 HKAB COc1ccc(-c2cc(C(F)F)nc(NCc3ccccc3Cl)n2)cc1OC 36613869 DGCZISXZYGLDGS-UHFFFAOYSA-N 405.832 5.364 0 40 HKAB Fc1ccc(-n2c(-c3ccc(Br)cc3)cnc2SC2CCCC2)cc1 44087169 FKZHALFOMDVORF-UHFFFAOYSA-N 417.347 6.476 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(C)c1 44934914 RGUJFYVXHRKRJL-QGZVFWFLSA-N 419.396 5.700 0 40 HKAB COc1c2c(c(OC)c3c(-c4ccccc4)ccc(-c4ccccc4)c13)[C@H]1C=C[C@@H]2C1 45071255 CCKBDSAGBPUHCZ-OYRHEFFESA-N 404.509 7.332 0 40 HKAB CC(C)(c1ccccc1)c1ccc(Oc2nc3ccccc3nc2N2CCCC2)cc1 45900727 IHSGLTUYWFSSLK-UHFFFAOYSA-N 409.533 6.348 0 40 HKAB CC(C)c1ccc([C@H](NCC(=O)Nc2ccnn2C2CCCC2)c2cccs2)cc1 57286309 DKSMITHHYPTPGE-DEOSSOPVSA-N 422.598 5.501 0 40 HKAB C[C@H](c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCC[C@@H]1c1cccs1 57331899 VCSUQBUIIMVFRT-RHSMWYFYSA-N 407.564 5.611 0 40 HKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCC(=O)N5CCCCCC5)(C4)C2)C3)cc1C 103018343 AUDQTBHSQOTRNE-AZZUFQGZSA-N 423.597 5.087 0 40 HKAB C[C@]12C[C@H](F)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC(=O)c1ccccc1 118922934 HNAAFHHBQZHFPH-MMCUHXBASA-N 412.545 5.772 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118932461 XANNAGNXGOOWOX-CWCJCEODSA-N 415.750 8.038 0 40 HKAB CCOc1ccc2c(c1)c(C(=O)N1CCCCC[C@H]1c1ccc(OC)cc1)c(C)n2C 141582251 XAVXNXQCSHPRTM-QHCPKHFHSA-N 420.553 5.652 0 40 HKAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1C 224264630 KAMIROVJSDAWTM-GOTSBHOMSA-N 404.583 5.314 0 40 HKAB Cc1ccccc1[C@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccccc1 224385658 JONLVALUSQFYIM-HSZRJFAPSA-N 413.945 5.927 0 40 HKAB CCCCOCc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OCC 224728310 ROHKAMSRYIMXKK-UHFFFAOYSA-N 419.521 6.447 0 40 HKAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1conc1-c1ccccc1 225872447 KSKZWUJFFKQKLU-UHFFFAOYSA-N 402.837 5.478 0 40 HKAB Cc1cc2cc(C(=O)N3CCC[C@H](c4cccc(-c5cccs5)n4)C3)ccc2o1 257294834 QVXPHJMIYMTGSE-SFHVURJKSA-N 402.519 5.885 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c1 408629292 VPBUZEKCHKSDGR-UHFFFAOYSA-N 400.950 6.008 0 40 HKAB O=C(O)/C(=C/c1ccccc1OCc1ccc(F)cc1)Sc1nc2ccccc2o1 408631727 BGEQEXMIRAPFMF-BKUYFWCQSA-N 421.449 5.764 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)c1C 408642262 MOGQFBZKVCCGBJ-GOSISDBHSA-N 418.468 5.226 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2cccc(C)c2)cc1 408696154 WVAWQMWNLFQYAT-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccc(F)cc2)c1 408697987 KSHDFSJWJCMUSB-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(C)cc2)cc1 408699822 WJPOJHYWJRGXRV-UHFFFAOYSA-N 416.456 5.033 0 40 HKAB CC(C)c1ccc(-c2nc(Nc3cccc4ccccc34)sc2CC(=O)O)cc1 408891368 PNFRBMVEKUZAQK-UHFFFAOYSA-N 402.519 6.457 0 40 HKAB O=C1S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N1CCc1ccccc1 409006339 IYZLWUMOSINMKM-CYVLTUHYSA-N 407.516 5.710 0 40 HKAB CCCc1cnc(Nc2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)s1 585262655 PHSDQSWHRDTUER-UHFFFAOYSA-N 402.564 5.349 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3F)C3CCCCC3)cc2c1 1327115 SQUKLJRCGRIMAD-UHFFFAOYSA-N 421.516 5.596 0 40 HKAB O=C(C1CCCCC1)N1CCc2cc(-c3csc(NC4CCCCC4)n3)ccc21 1337760 MBMZYMVPPJLULD-UHFFFAOYSA-N 409.599 6.024 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CN1c1ccccc1 1448237 YZTNCSLPACZILI-INIZCTEOSA-N 419.887 5.398 0 40 HKAB Cc1ccc(NC(=S)SCc2ccc(Cl)c(Cl)c2)cc1Br 1565569 GFYYFTNQCZDNLC-UHFFFAOYSA-N 421.212 6.695 0 40 HKAB O=Cc1cn(CCCCCCCCn2cc(C=O)c3ccccc32)c2ccccc12 1638879 AWXYINCQJYFKDG-UHFFFAOYSA-N 400.522 6.262 0 40 HKAB O=C(Oc1ccc(Cl)c(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1 1865057 DRGVNRZTMIDXSR-UHFFFAOYSA-N 421.663 6.085 0 40 HKAB CCOC(=O)c1c(NC(=O)Cc2cccc3ccccc23)sc2c1CC[C@@H](C)C2 1895617 NJBVNQSRRARNLN-OAHLLOKOSA-N 407.535 5.384 0 40 HKAB COc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccc(Cl)cc2)cc1 2255980 XZHNBYVUIJBTLU-UHFFFAOYSA-N 400.869 5.357 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CC(C)(C)C4)cc1C 2483507 TXFSQJQCOOEBTC-UHFFFAOYSA-N 411.523 5.314 0 40 HKAB O=C(/C=C/c1cccc(Br)c1)Nc1nc2c(ccc3ccccc32)s1 2638579 NNKDTCKXKXWLSZ-DHZHZOJOSA-N 409.308 5.864 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 2658411 ZGKYQMDLHONOPU-JOCHJYFZSA-N 412.341 7.191 0 40 HKAB O=C(COC(=O)/C=C/c1ccc(OC(F)F)cc1)Nc1ccccc1-c1ccccc1 2662026 ASCZYUDHKDCUPU-NTCAYCPXSA-N 423.415 5.150 0 40 HKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CCC1CCCC1 2769858 LNXIPBDNJKHEKG-UHFFFAOYSA-N 405.947 6.154 0 40 HKAB O=C(O[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1)c1ccco1 3245531 STVLTKCOHLXKJG-QGZVFWFLSA-N 423.774 5.489 0 40 HKAB Cc1cc(OC(=O)c2ccc(OCc3ccccc3)cc2)n(-c2ccc(Cl)cc2)n1 3290243 YJHNPZQDOSBRQK-UHFFFAOYSA-N 418.880 5.632 0 40 HKAB Cc1nc2ccc(Cl)cc2c(-c2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1 3318555 FKGUEVUNGYOPDE-UHFFFAOYSA-N 410.275 6.887 0 40 HKAB COc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2cccc(C)c2)cc1 3330390 DLDJGIJDPRGHNO-UHFFFAOYSA-N 417.534 5.422 0 40 HKAB CCc1ccc(Nc2nnc(SCc3cc(=O)oc4cc(C)c(C)cc34)s2)cc1 3380049 QEKDZWGJFHVSMH-UHFFFAOYSA-N 423.563 5.860 0 40 HKAB CCOc1ccccc1-c1nc(-c2ccc(-c3ccc(Cl)cc3)nc2OC)no1 3655858 CUWSMSKGTPWSKD-UHFFFAOYSA-N 407.857 5.526 0 40 HKAB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CC)CC[C@]4(C)[C@H]3CC[C@]12C 4429948 FWAYUWSHYLKUEY-LFWYWRBCSA-N 404.591 5.673 0 40 HKAB in-vitro Clc1ccc(-n2ncc3c(NC(c4ccccc4)c4ccccc4)ncnc32)cc1 4659359 FSIHDKQVORAFCG-UHFFFAOYSA-N 411.896 5.670 0 40 HKAB CCCCn1nc(NC(=O)c2ccc(C(C)(C)C)cc2)c2cc3cccc(C)c3nc21 5499799 TUIFRKGNWQTMEM-UHFFFAOYSA-N 414.553 6.243 0 40 HKAB Cc1csc(N(C(=O)COc2ccccc2Cc2ccccc2)c2ccccc2)n1 6219779 GFYMSDVFNCAHDJ-UHFFFAOYSA-N 414.530 5.786 0 40 HKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)/C=C/c1ccc(Cl)cc1 6281634 PJPQCZLYZBTRIX-NYYWCZLTSA-N 406.848 5.173 0 40 HKAB COC(=O)[C@H]1CCCCc2c1nc1ccc(Cl)cc1c2-c1ccccc1Cl 6475819 RKOHJPLMEFFRDP-INIZCTEOSA-N 400.305 6.192 0 40 HKAB Cc1csc(N(C(=O)CCCCc2nc3ccccc3s2)c2ccccc2)n1 7735324 XESUIAIUIMCNRW-UHFFFAOYSA-N 407.564 6.139 0 40 HKAB CCn1c(-c2ccccc2)c(C(=O)CSc2nnc(C3CC3)o2)c2ccccc21 8230165 NVDAIZPABMSVIL-UHFFFAOYSA-N 403.507 5.564 0 40 HKAB CC(C)c1nc2sc3c(N4CCCC[C@@H]4C)ncnc3c2c2c1COC(C)(C)C2 8618324 HVVGDJWJMVVSNW-AWEZNQCLSA-N 410.587 5.593 0 40 HKAB COc1ccc(CC(=O)N[C@H](Cc2ccccc2)c2ccc(-c3ccccc3)cc2)cc1 8715378 VIFYYNWOBDAGGJ-MUUNZHRXSA-N 421.540 6.005 0 40 HKAB CC(C)[C@@H]1O[C@@H](c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)OCC1(C)C 8816164 DASMUCALWSLXOE-FPOVZHCZSA-N 421.459 6.054 0 40 HKAB COc1cccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nc4ccccc4n32)c1 9288532 ITKDTTUXTYJFIG-XMMPIXPASA-N 424.504 5.281 0 40 HKAB Cc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1C 11121630 BCESAXDYIJWBIU-UHFFFAOYSA-N 412.577 6.010 0 40 HKAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCCCC3)c2c1 12437856 DTJJGEYNUBMGMF-UHFFFAOYSA-N 424.566 5.155 0 40 HKAB CN(Cc1nc2ccccc2n1CCCOc1ccc(Cl)cc1)C(=O)c1ccco1 12539302 KTKGUFOFDJOHGU-UHFFFAOYSA-N 423.900 5.024 0 40 HKAB COc1ccc(NC(=O)[C@H](Sc2nc3ccc(OC)cc3[nH]2)c2ccccc2)cc1 12776913 XBXWFBVBULUUNV-OAQYLSRUSA-N 419.506 5.052 0 40 HKAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N[C@H](c2ccccc2)C(C)C)cs1 12876961 OHJWGZSZLXSIEA-NSFRLNINSA-N 419.550 5.354 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)N2CCCC2)o1 15860471 JVTAYZPRBYBIHI-GOSISDBHSA-N 400.906 5.171 0 40 HKAB COc1ccc([C@@H]2C[C@@]23CCC[C@]2(C[C@H]2c2ccc(OC)cc2OC)C3=O)c(OC)c1 15885483 NLWKUVKXSDFLCE-KZHJIPFUSA-N 422.521 5.122 0 40 HKAB biogenic CCOc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3cccnc3)C[C@@H]21 16758696 CZRHEJYNSYDFIT-NZQKXSOJSA-N 405.885 5.376 0 40 HKAB O=C(Nc1cccc2ccccc12)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 20241748 JPDCXAWPWIAFOV-UHFFFAOYSA-N 421.544 5.414 0 40 HKAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2N2CCCCC2)cc1 21248116 VLTMAHIZOKUAKJ-UHFFFAOYSA-N 419.525 5.042 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc2nsnc2c1 21595584 GPJOMUOUFZNSNG-UHFFFAOYSA-N 422.469 5.905 0 40 HKAB Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1ccc2c(c1)OCO2 22699055 KKRQUBGLIFOZSQ-UHFFFAOYSA-N 401.418 5.301 0 40 HKAB biogenic Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccc2ccccc12 26124520 QOAWHLKJPPHETM-UHFFFAOYSA-N 412.880 5.788 0 40 HKAB CC(=O)c1cccc(NC(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)c1 27916434 GNGATQIRTUMNQA-UHFFFAOYSA-N 403.269 5.085 0 40 HKAB CC[C@@H](Oc1ccccc1F)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 28290799 LPCMKFXSFSSWIW-LJQANCHMSA-N 416.855 5.404 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3ccccc3)N3CCCCC3)sc2c1 28292465 UANUJAHCIKIGMK-LJQANCHMSA-N 412.986 5.820 0 40 HKAB Cc1ccc(-c2ccc(SCc3nc(-c4ccc(C)c(C)c4)no3)nn2)cc1C 33022113 MWVJHWRTAFXLDF-UHFFFAOYSA-N 402.523 5.720 0 40 HKAB Cc1cc(C)n(CCN(C(=O)c2ccco2)c2nc3c(C)cc(Cl)cc3s2)n1 35597629 XIWYBQDYKWHQHY-UHFFFAOYSA-N 414.918 5.011 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3cc(OC)ccc3Cl)c3ccccc3n2)cc1 36636116 CNOHMFQVHCMTLI-UHFFFAOYSA-N 418.880 5.825 0 40 HKAB Cc1nn(C)c2c1[C@H](c1ccccc1OCc1cccc(Cl)c1)SCC(O)=N2 44919950 JOFGNWAKEMPQDM-FQEVSTJZSA-N 413.930 5.385 0 40 HKAB O=C(CN[C@@H](c1ccccc1)c1ccc(O)cc1)Nc1ccccc1Oc1ccccc1 58173719 KERDBFPPPUORBE-MHZLTWQESA-N 424.500 5.502 0 40 HKAB Fc1ccc(-c2noc([C@H]3CCCN(Cc4cccc(C(F)(F)F)c4)C3)n2)cc1 60343303 XDVMUDPZAQHHCQ-INIZCTEOSA-N 405.395 5.274 0 40 HKAB CCOc1ccc(-n2cc(-c3nc(-c4ccccc4)no3)c3ccccc3c2=O)cc1 67245205 KGJVOVBJOSZPMT-UHFFFAOYSA-N 409.445 5.106 0 40 HKAB CCOc1ccc2cc([C@H]3CC(c4cccc(C)c4)=NN3C(C)=O)c(Cl)nc2c1 89269882 YWJXDWCRCBBJPX-JOCHJYFZSA-N 407.901 5.293 0 40 HKAB O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@H]1CN3C[C@H]1CCC[C@@H]21)c1ccc(Cl)cc1 101150409 XEGWPHFMPASJSA-HRQSHJORSA-N 406.957 6.193 0 40 HKAB Cc1cc(OCC(=O)Nc2ccccc2Oc2ccccc2)ccc1Br 218824312 SICOROVZONIHFC-UHFFFAOYSA-N 412.283 5.567 0 40 HKAB CC(C)Oc1cccc(CNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 218989060 GYMVGKBFCJQQPQ-UHFFFAOYSA-N 409.913 5.636 0 40 HKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 222568139 SNVCIPQZHOHZEE-GOSISDBHSA-N 420.553 5.034 0 40 HKAB CCOc1c(Cl)cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1OC 222657599 GOIPQXABLJWGAM-MDASCCDHSA-N 417.962 5.122 0 40 HKAB O=C(NCCNc1ccnc2cc(Cl)ccc12)C(c1ccccc1)c1ccccc1 222936456 NWLLLCRJQPEXKE-UHFFFAOYSA-N 415.924 5.248 0 40 HKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)C)c2)cc1 224230913 IFDXDZUVXLMIBJ-UHFFFAOYSA-N 405.494 5.659 0 40 HKAB COC(=O)c1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224927044 UFJACQUYBWJFPO-UHFFFAOYSA-N 416.408 5.187 0 40 HKAB COc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)c2cccnc12 225304649 QHUZFEQBUXANTO-UHFFFAOYSA-N 417.987 5.117 0 40 HKAB Fc1ccc(NC(=S)NCCCSCc2ccccc2Cl)cc1Cl 225606845 ZVHMSPLQSXYNAA-UHFFFAOYSA-N 403.375 5.742 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NC[C@H](CC)Cc2ccccc2)cc1Cl 225632902 UALNSKOHQGOIPS-OAHLLOKOSA-N 404.963 5.072 0 40 HKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC)c(C(=O)OCC)c1 225844668 MJPLRLACLRZSDD-UHFFFAOYSA-N 421.578 5.458 0 40 HKAB S=C(Nc1ccc(CSc2ccccc2)cc1)NC1(c2cccs2)CCCC1 225855806 LHXYXXIBCIYEJB-UHFFFAOYSA-N 424.660 6.796 0 40 HKAB S=C(NCc1ccccc1Cl)Nc1nc(Cl)cc(Oc2ccccc2)n1 225938959 FQFHKKUMJZISEZ-UHFFFAOYSA-N 405.310 5.062 0 40 HKAB Nc1c(C(=O)c2cc3ccccc3o2)sc2nc(C(F)(F)F)c3c(c12)CCCC3 257173552 QMCUJLZNOTYJNM-UHFFFAOYSA-N 416.424 5.753 0 40 HKAB Cc1nc(-c2ccc(C(=O)Nc3ccc(Br)cc3C(C)C)cc2)cs1 408625670 XUOVELIAYWEJRH-UHFFFAOYSA-N 415.356 6.257 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccccc2C)cc1 408696817 CELXZDXDZLALQL-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB O=C1Nc2ccccc2S/C1=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12 409101829 ZBEIXUUYJQYNAM-QRVIBDJDSA-N 416.933 6.428 0 40 HKAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409171651 BYQKCJKSFHSSCU-VOOGEQQHSA-N 412.577 5.902 0 40 HKAB CCc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)cc3)c3ccccc3n2)cc1 409184659 YVNZCQPPLPOSQG-UHFFFAOYSA-N 413.448 5.643 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)cc1 409407248 DWZSJOJUYQTXFN-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB CC(C)c1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 606630367 ZONPAOQEAXCIKO-NZOQTXDESA-N 422.653 6.568 0 40 HKAB Cc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 683621 CZXVQJVCWMCNKX-KWUUDPFMSA-N 417.508 5.419 0 40 HKAB CCc1cc(-c2n[nH]c(C(F)(F)F)c2-c2nc3ccccc3s2)c(O)cc1O 934320 ILWTYEOJAHSICG-UHFFFAOYSA-N 405.401 5.346 0 40 HKAB CC(C)[C@@H]1Cc2c(sc3nc(SCc4cccc5ccccc45)nc(N)c23)CO1 986174 SGFUYYYYNNYXDY-SFHVURJKSA-N 421.591 5.816 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4F)nc3c2)c(C)c1 1312159 HPDPJLHZKZSFFW-UHFFFAOYSA-N 419.481 5.378 0 40 HKAB Cc1ccc2nc(-c3ccccc3)nc(S[C@H](C)C(=O)NCc3cccs3)c2c1 1326122 SXTKFDNRBXTOGR-MRXNPFEDSA-N 419.575 5.464 0 40 HKAB Cc1ccc2nc(-c3ccccc3)nc(S[C@@H](C)C(=O)N3CCCCCC3)c2c1 1326125 BFVNYUIUMIGFNP-SFHVURJKSA-N 405.567 5.488 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(OC)c4)cc3)nc2c1 1413894 KUDJBLSVXKQUPM-INIZCTEOSA-N 400.478 6.269 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccccc4)ncnc32)cc1 1447653 UQQHFGYIEMXSCM-UHFFFAOYSA-N 406.489 5.708 0 40 HKAB CCCOc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 1867258 XZSFCXULYCHYOA-UHFFFAOYSA-N 406.873 5.115 0 40 HKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2c(C)cccc2C)cc1 2374139 JPEIINMVQWZULD-UHFFFAOYSA-N 414.505 5.158 0 40 HKAB CCc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 2713987 VAJBOVUPHYKVRY-UHFFFAOYSA-N 408.480 6.533 0 40 HKAB CC[C@@H](C)Sc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(C)cc1 2721677 KUFABSRPZVVRBI-MRXNPFEDSA-N 401.553 5.682 0 40 HKAB Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)sc2c1 3259423 HPWBNQMWNITKQZ-UHFFFAOYSA-N 416.474 5.351 0 40 HKAB Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc(Br)cc2)c2ccc(C)cc2)cc1 3314616 PCWHCNGCWRFHIB-QFIPXVFZSA-N 423.306 5.847 0 40 HKAB Cc1sc2nc([C@@H](C)Sc3nc(-c4ccc(F)cc4)cs3)[nH]c(=O)c2c1C 3533972 ADOHHRUBLGSZBI-LLVKDONJSA-N 417.556 5.717 0 40 HKAB CC1=C(C)C[C@](C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)(c2ccccc2)[S@@](=O)C1 4114093 FLFUPAMWVHIQBX-IGNOOFOMSA-N 402.600 5.375 0 40 HKAB Cc1ccc(C(=O)C[C@@H](Sc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1C 4452655 CWWSMYWJZMRANM-HSZRJFAPSA-N 415.385 7.717 0 40 HKAB Fc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 4491213 AHKMLRHWLLDHMZ-UHFFFAOYSA-N 409.917 5.943 0 40 HKAB Fc1ccc(-c2sc(Nc3ccc(Cl)c(Cl)c3)nc2C(F)(F)F)cc1 4538791 KMJDREKKWKNICH-UHFFFAOYSA-N 407.219 7.018 0 40 HKAB Cc1ccc(C(=O)n2nc(-c3cccnc3)nc2NCc2ccc(C(C)C)cc2)cc1 4732479 FKJCMIBQFWWDRG-UHFFFAOYSA-N 411.509 5.073 0 40 HKAB CCCN1C(=O)C(C)=C(C)[C@H]1c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccccc12 4815604 WOFYBBAZPVARPB-QFIPXVFZSA-N 413.348 6.771 0 40 HKAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccc(Cl)cc2)C[C@H]1c1ccc(OC)cc1 4816712 JLDSHIOXNNOEAI-LEWJYISDSA-N 424.932 5.198 0 40 HKAB CC(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)C2CC2)cc1 4847997 DIDSTWGTJQXCBC-XMMPIXPASA-N 424.610 5.205 0 40 HKAB O=C(CSCc1c(F)cccc1Cl)N(Cc1ccccc1)Cc1ccccc1 6475004 CTZHSRICNYAFDA-UHFFFAOYSA-N 413.945 5.941 0 40 HKAB C[C@@H](OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1cc(Cl)ccc1Cl 6900012 HFVWQNDWSVHSRT-LLVKDONJSA-N 404.249 5.036 0 40 HKAB CCCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 7261638 GYVNZIJFHOCILI-UHFFFAOYSA-N 402.749 6.124 0 40 HKAB CC(C)[C@H](NC(=O)COc1ccc(Nc2ccccc2)cc1)c1nc2ccccc2[nH]1 8134828 MMHQNYOZBHBIIC-DEOSSOPVSA-N 414.509 5.199 0 40 HKAB Cc1noc(C)c1COc1ccc(C(=O)Nc2ccc(N3CCCCCC3)cc2)cc1 8193397 CFDZCFPAGWGOFQ-UHFFFAOYSA-N 419.525 5.503 0 40 HKAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)Nc1ccccc1 9095196 OSZCOWNZXIOSNP-RUZDIDTESA-N 409.489 5.050 0 40 HKAB Fc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)c(Cl)c1 9683292 IRZAYZRFAHLCCQ-IBGZPJMESA-N 414.267 6.384 0 40 HKAB Clc1ccc(COc2ccc(Cl)cc2CNCCCn2ccnc2)c(Cl)c1 10314051 PAJAQCDCCCGJPN-UHFFFAOYSA-N 424.759 5.602 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cc(-c2ccncc2)nc2ccccc12 12593596 PFOPZZTWMWGRAH-UHFFFAOYSA-N 408.505 5.539 0 40 HKAB CCCN(Cc1ccc(C)cc1)C(=O)c1csc(-c2cccc(OC)c2OC)n1 12984255 CWQLJJOKORQBRT-UHFFFAOYSA-N 410.539 5.188 0 40 HKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)ccc2OC)N3)C1 15945371 RRZIGBJACPPHGS-BTDLBPIBSA-N 421.360 5.463 0 40 HKAB Clc1ccc2nc(-c3ccccc3)c(Sc3ccccc3)c(-c3ccccc3)c2c1 16492449 PJSFJLCACRIKNF-UHFFFAOYSA-N 423.968 8.373 0 40 HKAB Clc1cc2c(cc1CSc1nc(-c3ccccc3)c3ccccc3n1)OCO2 16492553 PXVPVCPUVVGAJE-UHFFFAOYSA-N 406.894 5.971 0 40 HKAB CC[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 16758053 UEGIXXUSSQDCBZ-INIZCTEOSA-N 407.970 6.940 0 40 HKAB COC(=O)C[C@H](c1ccccc1)[C@H](SCc1ccccc1)[C@@H](O)c1ccccc1 17111706 CYKNIQPTNMENKI-VJTSUQJLSA-N 406.547 5.369 0 40 HKAB Cc1cccc(Nc2nnc(S[C@H](C)c3nnc(-c4cccc(C)c4)o3)s2)c1 17662755 YZQPKLBZJSHINC-CQSZACIVSA-N 409.540 5.802 0 40 HKAB S=C(Nc1cc(Cl)ccc1Oc1ccccc1)N1CCN(c2ccccn2)CC1 18244403 ZRPJIHBJJOQXBX-UHFFFAOYSA-N 424.957 5.046 0 40 HKAB CCn1c2ccccc2c2cc(NC(=S)Nc3cccc(C(F)(F)F)c3)ccc21 19074429 BNOOJMXFGPNARZ-UHFFFAOYSA-N 413.468 6.642 0 40 HKAB Fc1cccc(CN(CCCn2ccnc2)Cc2cccn2-c2ccccc2F)c1 19368470 WIMWHZVKCVLDLS-UHFFFAOYSA-N 406.480 5.045 0 40 HKAB Cc1cccc(C)c1-n1nnnc1[C@@H](c1ccc(Cl)cc1)N(C)Cc1ccccc1 19907601 MFAGEJJMFOHPGL-HSZRJFAPSA-N 417.944 5.154 0 40 HKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 20144696 LGBFOQQNPUMENG-CYBMUJFWSA-N 420.292 5.460 0 40 HKAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC 20460977 HVULDMGZDWFBHX-MRXNPFEDSA-N 409.507 5.615 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 20485533 CXCXJTSMXREURN-IBGZPJMESA-N 407.819 6.308 0 40 HKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cccc(OC(C)C)c4)c3)oc2cc1C 21578589 AJAFRNZWSOVPHL-UHFFFAOYSA-N 414.505 6.460 0 40 HKAB Fc1ccc([C@@H]2CCN(Cc3ccccc3)C[C@H]2COc2ccc3c(c2)OCO3)cc1 22051458 AGTKMLMRHVWXHN-URXFXBBRSA-N 419.496 5.239 0 40 HKAB in-vitro O=C(NCCSC1CCCCC1)c1ccc(OCCSc2ccccc2)cc1 22524566 VFXSCEYZIHAEMM-UHFFFAOYSA-N 415.624 5.653 0 40 HKAB C[C@H](NC(=O)c1ccccc1SCC(=O)N(C)C1CCCCC1)c1cccs1 23079547 LINZSYXUYIOBNC-INIZCTEOSA-N 416.612 5.122 0 40 HKAB Cc1ccc(-n2c(S[C@H](C)c3nc(C(C)C)no3)nc3ccccc3c2=O)cc1F 24828772 XTDCXFRWGNIVKT-CQSZACIVSA-N 424.501 5.193 0 40 HKAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cc(Cl)ccc1Cl 32127398 XONLNSHJFPTBEG-UHFFFAOYSA-N 418.309 5.029 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1ccccc1OCc1nc(-c2ccccc2)no1 32578736 AZCLSGLJSWKCBG-UHFFFAOYSA-N 419.868 5.530 0 40 HKAB CCN(Cc1ccc(Br)s1)C(=O)c1cc(Br)ccc1F 32721779 ROGQULGWORZDRP-UHFFFAOYSA-N 421.129 5.075 0 40 HKAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c1 34930626 JTZFDQJJQLMYDX-UHFFFAOYSA-N 424.353 5.249 0 40 HKAB O=C(NCCCOCc1ccccc1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 40062020 DVIVTOYXLAYEHD-VQTJNVASSA-N 406.551 5.069 0 40 HKAB CCCc1ccc([C@H](NC(=O)c2cn(C)nc2-c2ccncc2)c2cccs2)cc1 48288603 JRTYQLVZCLQBSL-QHCPKHFHSA-N 416.550 5.016 0 40 HKAB Cc1ccc2nc(C)c(C(=O)NCc3ccc(Oc4ccc(F)cc4)nc3)cc2c1 48309858 JLVVVDRCGRCAQV-UHFFFAOYSA-N 401.441 5.108 0 40 HKAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)c(C(F)(F)F)c1 48375216 YNIAVLLOXPCXMT-CQSZACIVSA-N 422.447 5.502 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)c(F)c1 49005030 DIBMZPUBYJXYOP-SFHVURJKSA-N 406.505 5.534 0 40 HKAB O=C(O)/C(=C/c1cccc(OCc2ccccc2)c1)Sc1nc2ccccc2[nH]1 50547752 QWCOBSJITKTXOY-STZFKDTASA-N 402.475 5.360 0 40 HKAB CC(C)c1ccccc1NC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 84625320 AYTDIYYJBVZWFI-UHFFFAOYSA-N 401.535 6.002 0 40 HKAB Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N(C)C1CCCCCCC1 95393341 ASJSBIXGRHZOQW-UHFFFAOYSA-N 422.495 5.017 0 40 HKAB CSc1ccc(-c2noc(-c3cn(-c4ccccc4)c(=O)c4ccccc34)n2)cc1 96324248 WPOROBBUTMEGIX-UHFFFAOYSA-N 411.486 5.430 0 40 HKAB Cc1ccc(-c2csc(Cc3nc(-c4ccc5c(c4)[C@@H](C)C(=O)N5)cs3)n2)cc1 101089850 XXEZSOANZFQUFY-CQSZACIVSA-N 417.559 5.888 0 40 HKAB CC(=O)O[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 103910984 DOSRQPWOVOSXQH-WLPFJGCKSA-N 424.966 5.036 0 40 HKAB Cc1ccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1C 107040487 MABRSWWYARXFCE-UHFFFAOYSA-N 401.937 7.301 0 40 HKAB CC(C)(CC(=O)Nc1ccccn1)CC(=O)NC1CCCCCCCCCCC1 199425872 RLCHOTZCEUMPKT-UHFFFAOYSA-N 401.595 5.616 0 40 HKAB O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1Cc1ccccc1F 214376038 UVYADSCKNWAYEO-HYARGMPZSA-N 419.477 5.641 0 40 HKAB CCc1nnc(S/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)O)o1 214859698 DWIFKXYCECRLOB-ZROIWOOFSA-N 410.373 5.129 0 40 HKAB CCOc1ccc(CCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 218990805 XYFSLVNBJWNIEV-UHFFFAOYSA-N 423.940 5.680 0 40 HKAB CCn1c(Cl)nc2cc(C(=O)N(Cc3cc(C)n(C)c3C)C3CCCC3)ccc21 222563901 WBASSPLCQWIRLV-UHFFFAOYSA-N 412.965 5.250 0 40 HKAB CC(C)Oc1cccc(CCCNC(=O)CCCSc2ccc(Cl)cc2)c1 222692133 BMQUJVORGWCNBJ-UHFFFAOYSA-N 405.991 5.749 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1C 224284641 NOMDBLOOQIIZSB-RPWUZVMVSA-N 416.594 5.792 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccccc1 224363266 PRCCUWYSURJXCI-UHFFFAOYSA-N 415.411 5.935 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1cccc(CN2CCCC2)c1 224635690 GHEDKPSMECXUKW-UHFFFAOYSA-N 423.409 5.139 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccc2ccccc2c1 224640467 ORPAXARPJVSSLR-UHFFFAOYSA-N 415.464 6.209 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)cc1)c1ccccc1 225462982 ISEXCBWMZXQDJA-HNNXBMFYSA-N 409.942 5.640 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4ccc(C)c(Cl)c4)o3)N21 260769340 LPXUTMZINJLALU-HVETUWLQSA-N 423.969 6.283 0 40 HKAB CC(C)(C)c1ccc(C(=O)Oc2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)cc1 408527054 DSGYVSWOYNLCQK-UHFFFAOYSA-N 424.500 6.453 0 40 HKAB C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CN2 1560408807 NFIUCNKJZLBCLW-CLGLNXEMSA-N 412.638 5.830 0 40 HKAB O=[P@@](Nc1ccccc1)(Oc1ccccc1)Oc1ccc(OC(F)(F)F)cc1 1772714621 HEDQPBCHBNICNA-NDEPHWFRSA-N 409.300 6.263 0 40 HKAB CCC(=O)N(CC[C@@H](c1ccccc1)c1ccco1)Cc1ccc(OC(C)C)cc1 658241 QVUDUDMIPMZSFJ-DEOSSOPVSA-N 405.538 6.028 0 40 HKAB biogenic CCOc1ccc([C@H](Cc2ccccc2)NC(=O)c2ccc(OC)cc2)cc1OCC 668070 NXYKNAFCWPQUPQ-QHCPKHFHSA-N 419.521 5.206 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(O)c(-c2nc3cc(C)ccc3o2)c1 861605 LCNBTVNDKBIFQV-UHFFFAOYSA-N 408.841 5.423 0 40 HKAB COc1cccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c1 904220 RPGODGSYUDZSIT-UHFFFAOYSA-N 407.520 5.098 0 40 HKAB O=C1c2ccc(Oc3ccc(Cl)cc3)cc2C(=O)N1c1ccc(Cl)c(Cl)c1 1866391 YRQQTTXAGDHMCX-UHFFFAOYSA-N 418.663 6.240 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C)c(C)c4)nc3c2)c1 2052061 VEDGYYQCQAGITC-UHFFFAOYSA-N 400.482 5.078 0 40 HKAB CC(C)Sc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 2275512 LJVOQRDBZOOOKW-UHFFFAOYSA-N 421.591 6.258 0 40 HKAB CCCCOc1cccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)c1 2348963 DZXOQOBGQVPZMR-UHFFFAOYSA-N 424.548 6.005 0 40 HKAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\N=C(c2ccc(C(C)(C)C)cc2)OC1=O 2413420 LELYWANBWCACSV-ZHZULCJRSA-N 419.912 5.476 0 40 HKAB O=c1oc2c(Cl)cc(Cl)cc2c(-c2ccc(O)cc2)c1-c1ccc(Cl)cc1 2573863 YYXGJMVZNJPJFA-UHFFFAOYSA-N 417.675 6.793 0 40 HKAB Cc1ccc(C)c(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)c1 2887575 LRTRBJNDNLCXFR-UHFFFAOYSA-N 420.365 5.708 0 40 HKAB O=C(Nc1ccc(Br)cc1)C(F)(F)Oc1cccc(C(F)(F)F)c1 3117002 TZPSBAXELUPZOE-UHFFFAOYSA-N 410.136 5.078 0 40 HKAB O=C(O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cc2c1-c1ccccc1 3324489 IOWIRGSWQPCSCV-UHFFFAOYSA-N 408.284 6.503 0 40 HKAB COc1ccc(C(=O)C[C@@H](Sc2ccc(F)cc2)c2ccc(Cl)cc2)cc1 4118595 UPMGWSRFYXIWOH-JOCHJYFZSA-N 400.902 6.594 0 40 HKAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)c1 4835724 WAXBETKIIVHNLK-UHFFFAOYSA-N 414.534 5.230 0 40 HKAB Cc1cc2nc(N(Cc3ccccn3)C(=O)CCc3ccccc3)sc2cc1C 5265478 IMFGKIYXLWTZMH-UHFFFAOYSA-N 401.535 5.474 0 40 HKAB COc1ccc(/C=C/c2nc(=O)c(-c3ccccc3)c(C)n2-c2ccccc2)cc1OC 6177571 GGBYRIBDGMRJPL-BMRADRMJSA-N 424.500 5.396 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(NC(=O)C(C)C)cc1 6262798 WAQDOQOQVKYWKK-RUDMXATFSA-N 407.297 5.248 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2)N2CCC(C)CC2)c1C 6418258 DIQLDYWXNCGCRD-DEOSSOPVSA-N 418.606 6.439 0 40 HKAB CCc1cc2oc(=O)cc(C)c2cc1OCC(=O)c1sc(-c2ccccc2)nc1C 6555742 SIUFKDWJVRESRW-UHFFFAOYSA-N 419.502 5.357 0 40 HKAB Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1NC(=O)c1ccco1 6639484 KOTIXWMWQFDEBY-UHFFFAOYSA-N 410.473 5.360 0 40 HKAB Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1cccc2ccccc12 6903233 JJZKELJARSBAIR-JLPGSUDCSA-N 405.501 5.471 0 40 HKAB Cc1cc(C)c(-c2csc(NC(=O)c3ccccc3Br)n2)c(C)c1 7796190 ISMRBNWLOAEHMR-UHFFFAOYSA-N 401.329 5.750 0 40 HKAB CC(C)CCOc1ccc(NC(=O)c2ccccc2OCCOc2ccccc2)cc1 8158294 QURASTBHJDYDJM-UHFFFAOYSA-N 419.521 5.822 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)NCCSCc3cccc(C)c3)cc2)cc1 8318506 DMKQHVCWVFHIOG-UHFFFAOYSA-N 421.631 6.259 0 40 HKAB O=C(Nc1ccc2c(c1)OCCCO2)c1ccc(-c2cccc(C(F)(F)F)c2)o1 8754236 ACTBYZZXNRHXEE-UHFFFAOYSA-N 403.356 5.379 0 40 HKAB CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(C)cc2)cc1 9272492 ZYSJMNPZSABPPG-UHFFFAOYSA-N 412.489 5.082 0 40 HKAB Cc1ccc(Cn2cc(SCC(=O)Nc3ccc(F)cc3F)c3ccccc32)cc1 9277170 NITPIGHBKJQQFP-UHFFFAOYSA-N 422.500 6.007 0 40 HKAB O=C(COc1ccc2ccccc2c1)N1CCCC[C@@H]1c1nc2ccccc2s1 9533980 SAIIYAWTSDRSAN-OAQYLSRUSA-N 402.519 5.582 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120099 PHTWNQFRCKEGJZ-DTQAZKPQSA-N 420.468 6.331 0 40 HKAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)/C=C/c2cccc(F)c2)c1 11088968 PQWLHJXGOXXGFQ-JUWJPQTCSA-N 416.496 5.587 0 40 HKAB COc1cccc(NC(=O)Cn2cc(-c3nnc(-c4ccccc4)o3)c3ccccc32)c1 11695947 YXGOMLIPUXXNAD-UHFFFAOYSA-N 424.460 5.006 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 12292618 NNWGQDZMCBSVKM-KRWDZBQOSA-N 402.519 5.986 0 40 HKAB C[C@@H](NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)c1ccc(C(C)(C)C)cc1 13646387 TVKGJMHMQLMBLL-CYBMUJFWSA-N 400.371 5.472 0 40 HKAB C[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(C(C)(C)C)cc1 13669561 MGVZGSCIMCYUMK-AWEZNQCLSA-N 410.410 6.402 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Sc1ccc(Cl)nn1)c1ccccc1 14147053 UNBJNEUMQRXAPQ-QGZVFWFLSA-N 424.740 5.909 0 40 HKAB CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 15509417 NWHIZERUMHWWSQ-UHFFFAOYSA-N 412.486 5.002 0 40 HKAB COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4OC)cc3c2C)c1 15729487 DBAZRBYIEHJWHE-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB biogenic Cc1ccc(-n2nnnc2-c2cnc(C(C)(C)C)nc2-c2ccccc2Cl)cc1 16311615 ARPMBCQBPIECFK-UHFFFAOYSA-N 404.905 5.046 0 40 HKAB COC(=O)c1ccc(Cn2nc(-c3ccc(C)cc3)c(C)c2-c2ccc(C)cc2)o1 17081896 SBYBUNXREQNPNX-UHFFFAOYSA-N 400.478 5.570 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 17087494 WNTSPODTFRNBGU-FNORWQNLSA-N 406.696 6.867 0 40 HKAB CCc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 17088769 YESZVIYYDRNNDI-UHFFFAOYSA-N 411.288 6.616 0 40 HKAB COc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2cnc2ccc(F)cc23)cc1 21017450 JEPJIXVSEDPORG-UHFFFAOYSA-N 403.844 6.042 0 40 HKAB CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2NCc2ccc(C)cc2)cc1 23109787 LVELNKZNBYXCQT-UHFFFAOYSA-N 416.546 5.551 0 40 HKAB O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(-n2cccn2)cc1C(F)(F)F 31967317 JBMGGKTWZOVQND-UHFFFAOYSA-N 413.321 5.091 0 40 HKAB O=C(COc1ccccc1)Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 32623570 OKJJCDNVNRYWAO-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB COC(=O)c1sccc1-c1ccc(/C=C\C(=O)c2ccc(C(F)(F)F)cc2)o1 33376721 KSSGORQFWDHEDB-VURMDHGXSA-N 406.381 5.710 0 40 HKAB C[C@H](C(=O)c1ccc(OCc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 33506258 JKJGWNLFPHYECD-JOCHJYFZSA-N 413.561 5.792 0 40 HKAB CC1(C)Oc2ccc(Br)cc2[C@H]2CC(c3cccc4ccccc34)=NN21 40486320 FPBUJUNZMGOZGI-HXUWFJFHSA-N 407.311 5.882 0 40 HKAB S=C(Nc1ccccc1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 40487516 KZBAMOIOGRXNBO-SFMHNSJBSA-N 423.585 6.680 0 40 HKAB O=C(Nc1ccc2[nH]c3ccccc3c2c1)c1cccc(I)c1 44781701 QAISMAUOIFWQOK-UHFFFAOYSA-N 412.230 5.178 0 40 HKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1c(F)cccc1Cl 44839044 NUTUYEKTIZZHAW-HXUWFJFHSA-N 409.954 5.303 0 40 HKAB CC[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(C)cc1C 44856724 WXWRYKBGUHYHQD-HHHXNRCGSA-N 412.577 5.743 0 40 HKAB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)c(C)c1 59418683 OZDWSPXPSIHEDB-FGEXJBCWSA-N 413.904 5.051 0 40 HKAB COc1ccccc1[C@H](C)N(C)C(=O)c1sc(-c2ccccc2Cl)nc1C 64907436 BMEXVTMKRYWSHN-AWEZNQCLSA-N 400.931 5.614 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2F)cc1 67297648 VGKWHJLRJDQFCU-VYIQYICTSA-N 406.388 5.204 0 40 HKAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72214555 VSYXTFYMJKHPPQ-SFHVURJKSA-N 419.566 5.551 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(C(=O)c2cccs2)s1 90610583 ARUCQFMNXMOJNN-UHFFFAOYSA-N 419.955 5.168 0 40 HKAB Cc1ccc(CON/C=C/c2nc(SCc3ccc(Cl)cc3)nnc2C)cc1 100142007 FIIUGLSKXINYGW-VAWYXSNFSA-N 412.946 5.126 0 40 HKAB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc(F)cc4)C3=C(O)C2)cc1 100424646 IWRPQRDPBCLUKE-HFJWLAOPSA-N 414.480 6.463 0 40 HKAB C[C@@]12CN(Cc3ccccc3)C[C@](C)(CN(Cc3ccc(Br)cc3)C1)C2 101074396 FKBSJNGFRWUAAW-DHIUTWEWSA-N 413.403 5.183 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1[C@@H]1C=C(c2ccccc2)Nc2ncnn21 101088279 UOVCYLZTIQPEIZ-SFHVURJKSA-N 423.307 5.135 0 40 HKAB COc1ccc(OC)c([C@@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)c1 104153711 SCLYOMUCFKMQOA-DEOSSOPVSA-N 401.487 5.954 0 40 HKAB CC[C@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(C)c(C)c1 218877966 XLUULCHGBKNRHV-FQEVSTJZSA-N 418.375 5.836 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CCc3ccc(F)cc3)c2)cc1 222675135 BAAIEMLBZUNQEH-UHFFFAOYSA-N 418.512 5.947 0 40 HKAB CC1(C)CCc2cc(S(=O)(=O)NCc3cccc(Oc4ccccc4)c3)ccc2O1 223744857 AORGVWLMPPHJHF-UHFFFAOYSA-N 423.534 5.061 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccc(Cl)c(C)c1 224206329 UPSGPYVNKAJCKN-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 224449438 GXBHODVPQVVLAK-PKTZIBPZSA-N 420.557 5.705 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(Cl)cc3)o2)c1 224897781 LWUSHBYUURCPPR-UHFFFAOYSA-N 418.880 5.601 0 40 HKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)ccc1F 224914051 KASJYSVZEJCKQH-PKTZIBPZSA-N 420.557 5.623 0 40 HKAB CCCC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225269208 MKDQEFKKWINCDK-VWLOTQADSA-N 420.597 5.184 0 40 HKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(C)cc1C 225587860 AAWSWEDHEHGIOA-HSZRJFAPSA-N 416.968 5.575 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C(=O)OC 225684466 UKWPXOJZVLWFHV-UHFFFAOYSA-N 415.917 5.366 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(Br)cc2)cc1N1C[C@@H](C)C[C@@H](C)C1 226330518 PNOIODLNBCUUJU-OKILXGFUSA-N 416.363 5.074 0 40 HKAB Clc1ccc(-c2csc(=Nc3ccccc3)n2Cc2ccco2)c(Cl)c1 254567728 YVNOWAPCUVCGEL-UHFFFAOYSA-N 401.318 6.397 0 40 HKAB Cc1cccc(NC(=O)COc2cccc(CNc3ccc(Cl)cc3Cl)c2)c1 408613705 ZMDQKTOJJXXNFU-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccc(F)cc2)cc1 408696184 XKMMVCRJPRDORT-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB CCCCCOc1ccccc1/C=C1\N=C(c2cccc(Br)c2)OC1=O 408763693 QFJQOEKCOHTOJF-JXAWBTAJSA-N 414.299 5.363 0 40 HKAB Cc1cccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@H](c2ccccc2)N3)c1 409123331 GEWLIQISMJUQIE-SURISGSSSA-N 408.545 6.544 0 40 HKAB CC[C@@H](C)N1C(=O)S/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)C1=O 409252471 RZCWJECDURBKIJ-PJMHOZITSA-N 408.498 5.664 0 40 HKAB CC(C)(C)OC(=O)N=c1c2ccc(Br)cc2ccn1C(=O)OC(C)(C)C 1857794217 COCNMSGIOAVQOC-UHFFFAOYSA-N 423.307 5.023 0 40 HKAB Nc1c(C(=O)Nc2ccc(Cl)cc2F)sc2nc(-c3ccc(F)cc3)ccc12 661652 UDSXLNQSRRTRNT-UHFFFAOYSA-N 415.852 5.729 0 40 HKAB CCCC(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3cc(CC)ccc3o2)c1 724348 QUSNKYXJGKJEPP-UHFFFAOYSA-N 401.919 5.324 0 40 HKAB Cc1nc2c(cc1NC(=O)C(C)(C)C)nc(C)n2Cc1ccc(-c2ccccc2)cc1 1336295 KKNGOJFVQZNGBI-UHFFFAOYSA-N 412.537 5.748 0 40 HKAB Cc1ccccc1C(=O)N1CCc2cc(-c3csc(NC4CCCC4)n3)ccc21 1354352 YEARBJRJHVFXPU-UHFFFAOYSA-N 403.551 5.676 0 40 HKAB CCOC(=O)c1c2ccc(OCc3c(Cl)cccc3Cl)cc2n2ccccc12 1398654 SGQJQDHGOGGWHN-UHFFFAOYSA-N 414.288 6.155 0 40 HKAB Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1CC(=O)c1ccc(Cl)cc1 1403530 ZSLCYJOAPZDSJX-UHFFFAOYSA-N 420.723 5.591 0 40 HKAB Cc1ccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3cccnc3)s2)c(C)c1 1465876 CIOOMBBGYQUMSC-UHFFFAOYSA-N 400.507 5.818 0 40 HKAB COc1ccc(Oc2c(OC)cc(NCc3ccc(CN)cc3)c3ncccc23)cc1 1565668 CHWFXBQLQWJIOK-UHFFFAOYSA-N 415.493 5.115 0 40 HKAB COc1cc(/C=C/C(=O)Oc2ccccc2)ccc1C(=O)O/C=C/c1ccccc1 1618779 KWKVWLLCZGKCMZ-TZSXFDEBSA-N 400.430 5.142 0 40 HKAB Cc1ccc2c(c1)N(C(=O)c1ccccc1F)C(C)(C)c1ssc(=S)c1-2 1833377 PQBNYWDFFFBTHG-UHFFFAOYSA-N 401.553 6.549 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1 2062623 CGPDUCAHHKGSCM-UHFFFAOYSA-N 420.896 6.579 0 40 HKAB COc1ccccc1Oc1c(C)oc2cc(OCc3ccc(C)cc3)ccc2c1=O 2157226 HVYKWMVAGFRKQD-UHFFFAOYSA-N 402.446 5.790 0 40 HKAB biogenic Cc1cc(C(F)(F)F)c2c(-c3ccc(C(C)(C)C)cc3)nn(-c3ccccc3)c2n1 2177025 YESHSEWSYISRJY-UHFFFAOYSA-N 409.455 6.712 0 40 HKAB CCCCSc1nc2c(c(=O)n1CC(C)C)C1(CCCCC1)Cc1ccccc1-2 2254162 JXOVJZLEJIYOIN-UHFFFAOYSA-N 410.627 6.217 0 40 HKAB Cc1nc(SCc2nc3ccccc3c(=O)[nH]2)c2cc(-c3ccccc3)sc2n1 2660708 LLXRTVONWQFKCN-UHFFFAOYSA-N 416.531 5.196 0 40 HKAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2739304 DVOGGEQCAROEMA-HOTGVXAUSA-N 423.354 6.067 0 40 HKAB O=c1oc(-c2ccc(C(F)(F)F)cc2)nc2c1oc1ccc(Br)cc12 3617644 IHTBAYHJODPDJE-UHFFFAOYSA-N 410.145 5.383 0 40 HKAB FC(F)(F)c1cc(-c2cccs2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 3765715 XFAGPHBFPFJYGX-UHFFFAOYSA-N 411.861 6.397 0 40 HKAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)C12CC3CC(CC(C3)C1)C2 4088716 SSWOGWWEJYCERR-UHFFFAOYSA-N 413.974 5.427 0 40 HKAB Cc1sc2c(c1C)C(=O)N[C@@H](c1ccc(-c3ccc(Br)cc3)o1)N2 4501936 RZHCAXCWHYLSGU-MRXNPFEDSA-N 403.301 5.242 0 40 HKAB C[C@@H](Cc1ccccc1)NCCCCCCCCCCN[C@@H](C)Cc1ccccc1 4534954 SGNZVNKYVQTCPF-UIOOFZCWSA-N 408.674 6.549 0 40 HKAB COc1ccc(-c2nc3n(C)c4ccccc4n3c2C(=S)Nc2ccccc2)cc1 4663336 HXUAOMUDSMWVTE-UHFFFAOYSA-N 412.518 5.289 0 40 HKAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccccc2C)n2c(nc3ccccc32)N1 4742052 PYWPHQNUXXSFDH-DEOSSOPVSA-N 408.505 5.581 0 40 HKAB CCn1c(SCc2ccc(F)cc2)nc2scc(-c3cccs3)c2c1=O 4801626 QFRNIYJOBINREX-UHFFFAOYSA-N 402.541 5.638 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)CCC[C@]4(C)[C@@H]3CC[C@@]21C 5029529 HYEIEAPRJMJEDC-RVAHTCKOSA-N 400.691 8.067 0 40 HKAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)c1ccc(C(F)(F)F)cc1 5136236 PXRNLBQYGZVVOO-UHFFFAOYSA-N 414.383 5.144 0 40 HKAB Cc1nc(C[S@@](=O)c2ccccc2)cc(NCc2ccc(Cl)cc2Cl)n1 5423413 HFDYDMQIVUAERL-SANMLTNESA-N 406.338 5.012 0 40 HKAB CC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2n1-c1ccc(C)cc1 5559321 JKCUFMGKTGJMHL-UHFFFAOYSA-N 415.518 5.267 0 40 HKAB O=C(CSc1ccc2ccccc2c1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 5588893 BQTAJDCAJBMZPI-UHFFFAOYSA-N 409.514 6.114 0 40 HKAB CN(C(=O)c1cccc(COc2ccc(Cl)cc2)c1)C12CC3CC(CC(C3)C1)C2 5674741 HFBBNYZUIQFRHJ-UHFFFAOYSA-N 409.957 5.960 0 40 HKAB CCCC[C@H](C(=O)O)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2)n1 5713401 WXUQHHPIRQTVBY-KRWDZBQOSA-N 414.303 5.055 0 40 HKAB Cc1cc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1Cl 5739868 XDWXOBJXUSPRGK-QHCPKHFHSA-N 404.941 6.717 0 40 HKAB Cc1cccc(C)c1OCc1nnc(S[C@@H]2CCCCC2=O)n1-c1ccccc1 5890218 PEVQWPHSQGLUSL-HXUWFJFHSA-N 407.539 5.067 0 40 HKAB Cc1cc(C(=O)CN2C(=O)c3cccc4cccc2c34)c(C)n1Cc1cccs1 6231622 PLQVQMWVUWKECW-UHFFFAOYSA-N 400.503 5.211 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(COc2ccccc2)cc1 6288797 FXVQAUKWMPFPKM-UHFFFAOYSA-N 405.803 6.190 0 40 HKAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C1=O 6629533 RBRHNTICVSOPCR-RQZCQDPDSA-N 409.338 5.847 0 40 HKAB COc1cc(/C=C(\CC(=O)O)c2nc3ccccc3o2)cc(Cl)c1OC(C)C 7914114 QAGFGSOJUDGUAQ-RIYZIHGNSA-N 401.846 5.292 0 40 HKAB CCCCOc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CCCCCC2)cc1 8863005 WSIOWRLPAMRZCV-QFIPXVFZSA-N 400.588 5.274 0 40 HKAB Cc1ccnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)c1 9111324 NHESQQNKPJCBBG-FQEVSTJZSA-N 420.827 5.039 0 40 HKAB Fc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9308780 GWYANDBZRBVFQY-PZJWPPBQSA-N 422.301 6.084 0 40 HKAB CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)c1ccc(Cl)cc1 9850882 KMFJIOKZYNPAPO-UHFFFAOYSA-N 421.953 5.670 0 40 HKAB Cc1nn2c(O)cc(CSc3ccc(Cl)cc3)nc2c1-c1cccc(Cl)c1 9936241 OOMOPCIGYDFBIN-UHFFFAOYSA-N 416.333 6.009 0 40 HKAB CCOc1cc(Nc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)nc(C)n1 11613273 FDVYIDUXPNXEDZ-UHFFFAOYSA-N 415.856 5.364 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2cc(C)cc(C)c2)sc2c1CCCC2 11637223 LZSWBQPKQNCGRF-SFHVURJKSA-N 415.555 5.217 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(C3SCCCS3)cc2)cc1OCC 11655534 XWBFVXKQSWRGCS-UHFFFAOYSA-N 403.569 5.605 0 40 HKAB Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)n(-c2nc(-c3ccccc3)cs2)n1 12441691 XIPNWEABAJIKKN-UHFFFAOYSA-N 418.566 5.459 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc2c(c1)OCCO2 12651217 SEZMIRZBEZAEJF-UHFFFAOYSA-N 402.475 5.295 0 40 HKAB CCOC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 12654427 KJDSVVPFPBNSOM-XFVWHUTNSA-N 402.619 5.906 0 40 HKAB biogenic C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 13685241 RILOTAXHBRRTGG-SFHVURJKSA-N 416.521 5.308 0 40 HKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 14665284 YIRGAYJZCYRDEH-SFHVURJKSA-N 422.569 5.453 0 40 HKAB Cc1ccc(NC(=O)c2sc(=S)n(-c3ccc(Br)cc3)c2N)cc1 15015105 RKLDDDTVFLLSDB-UHFFFAOYSA-N 420.357 5.174 0 40 HKAB Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2c1[C@H](c1ccsc1)CC(=O)N2 15106686 RLNTUDIVVQTGRB-AWEZNQCLSA-N 402.928 5.498 0 40 HKAB Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)CC[C@@H](c4ccccc4)[C@H]3C2=O)c1C 15163318 UUOHHXXXBMIDST-DXQXWHQDSA-N 409.529 5.770 0 40 HKAB COc1ccc2nc(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)sc2c1 16960234 YDAJZGJCFUQKPJ-UHFFFAOYSA-N 423.544 5.895 0 40 HKAB COc1ccc(Cn2nc(-c3cccc(C)c3)c(Cl)c2-c2cccc(C)c2)cc1 17082586 HGUJPYCWNYYCHN-UHFFFAOYSA-N 402.925 6.544 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(F)c(Cl)c1 17088673 JVZFKSJXCVAJEP-XBXARRHUSA-N 410.659 6.698 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(C(=O)c2ccccc2)cc1 17178317 WSJAAYIHZZNRTP-UHFFFAOYSA-N 418.452 5.978 0 40 HKAB CC(C)Nc1n[nH]c2nc([C@H]3CCCN3C(=O)C3CCCCC3)cc(C(F)(F)F)c12 19742537 KRXIHNHGRWQJBI-MRXNPFEDSA-N 423.483 5.041 0 40 HKAB Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(F)c(Cl)c4)cc3)o2)c1 22897596 YFEIHWVTPAWBBZ-UHFFFAOYSA-N 407.832 5.757 0 40 HKAB C[C@H](Oc1ccccc1F)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 28290840 IMNTWSDXERUSGY-AWEZNQCLSA-N 402.828 5.014 0 40 HKAB CC(C)C[C@H](NC(=O)c1ccc(CN2CCCc3ccccc32)cc1)c1ccccc1 30873452 FCDHBAXTKARYRU-SANMLTNESA-N 412.577 6.157 0 40 HKAB Cc1c(-c2ccc(Cl)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccccc1Cl 32091074 WDOZIEUEYYAISH-MRXNPFEDSA-N 415.280 5.337 0 40 HKAB CCCCOc1ccc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)c2cccnc12 32622555 GQHGJEVLTJENCE-UHFFFAOYSA-N 416.477 5.389 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC(CCc2ccc(C)cc2)CC1 32857589 IKXINGBWGSNPNL-SANMLTNESA-N 416.565 5.130 0 40 HKAB COC(=O)c1c(NC(=O)N2CCC[C@H]2c2ccc(Cl)cc2)sc2c1CCCC2 35476496 YELLTGMAGMBBPX-INIZCTEOSA-N 418.946 5.436 0 40 HKAB Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccccc1C(F)(F)F 35684823 SNMHERIOLMVQMN-MRXNPFEDSA-N 414.387 5.049 0 40 HKAB Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2c(C)nn(Cc3ccccc3)c2n1 36616751 YLBSTZRFLJBBCJ-UHFFFAOYSA-N 408.864 5.141 0 40 HKAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)Nc1cccc(Cl)c1 44086004 ZPJAQDSKIIBPFQ-UHFFFAOYSA-N 419.937 5.924 0 40 HKAB COCc1c(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)sc2cccc(F)c12 48011196 LMCZMQPFLFWPHE-UHFFFAOYSA-N 418.515 5.051 0 40 HKAB Cc1cccc(N(C)C(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1 67289947 PEDYFMQDHPVJDM-UHFFFAOYSA-N 416.550 5.077 0 40 HKAB CC(C)c1nccn1-c1cccc([C@H]2CCCN2C(=O)CCCc2ccccc2)n1 72378988 IJZXTDWNUISOMY-JOCHJYFZSA-N 402.542 5.077 0 40 HKAB Cc1cc(NC(=O)c2ccc3onc(-c4csc(-c5ccccc5)n4)c3c2)ccn1 96266550 BDECGKNUJRHEAS-UHFFFAOYSA-N 412.474 5.574 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccccc1OCc1ccccc1 218987635 UXBSGPNXOWLMFO-QFIPXVFZSA-N 401.506 5.606 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CC(c1ccccc1)c1ccccc1 219130762 PWCSWBVLFWORGU-DEOSSOPVSA-N 415.533 5.636 0 40 HKAB COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)c3ccccc3n2)cc1 222630824 BYYNAOBXXYYUOE-INIZCTEOSA-N 416.908 6.055 0 40 HKAB Cc1cc(C)c([C@@H](C)NC(=O)CSCc2ccc(Br)cc2)cc1C 223403337 RFYAXWVNNJCSNA-MRXNPFEDSA-N 406.389 5.485 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1cc(C)cc(C)c1 224193081 NRGMUXIPZOUJML-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB CC(C)(Cc1ccccc1)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 224266038 OXDMJKGCLGQPMT-UHFFFAOYSA-N 409.982 6.383 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccccc1C(C)C 224571800 PSXIJOTYCCPGNG-UHFFFAOYSA-N 423.597 6.630 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccccc1OC 224574303 ASVDWLSIVFFTTM-GOSISDBHSA-N 405.494 5.164 0 40 HKAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1ccc(C)c(C)c1 224625360 CTNDXRKXWNUHML-UHFFFAOYSA-N 419.521 5.220 0 40 HKAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1CSc1ccccc1 224656955 FWCQMMRQABHDIN-UHFFFAOYSA-N 419.590 6.755 0 40 HKAB COC(=O)c1c(NC(=O)Cc2ccc(-c3ccccc3)cc2)sc2c1CCCC2 224972769 ZSJXJCOXTIHYEW-UHFFFAOYSA-N 405.519 5.262 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCOc1ccc(C(C)(C)C)cc1 225182005 GYCYCMDDBDOJEY-XMMPIXPASA-N 409.570 5.216 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CCc3ccc(Cl)c(Cl)c3)ccc21 225334166 FEQKXQMBQTWOQP-UHFFFAOYSA-N 411.332 6.693 0 40 HKAB COc1cc(C(=O)NCc2cccc3ccccc23)ccc1OCc1ccc(C)cc1 408551310 CAFZOFJSEIOTAI-UHFFFAOYSA-N 411.501 5.666 0 40 HKAB Cc1ccc(CNC(=S)c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 408573709 KAPMSTONFOHMFD-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1C 408677093 AHRSZSVTUNYBHI-HNNXBMFYSA-N 412.382 5.427 0 40 HKAB COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(Cl)cc3)n2)cc1 408695679 SBJASCURXYOYMT-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2C)ccc1OCc1cccc2ccccc12 409121491 YANKHLUIWMNVHD-UHFFFAOYSA-N 411.545 7.046 0 40 HKAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(c2ccc(Oc3ccccc3F)cc2)C1=O 1615613361 SYQOZQAHGUIVKT-QHCPKHFHSA-N 424.859 5.633 0 40 HKAB Cc1cccc2c1CC[C@@H](CN1CCC(c3c(Cl)cccc3Cl)CC1)C[C@H]2O 593273 OHRDCQFCAWLDBP-UZUQRXQVSA-N 418.408 6.167 0 40 HKAB O=C(c1ccc(Br)cc1)c1nocc1C(=O)c1cccc2ccccc12 987985 TTWYBBULGKSRMT-UHFFFAOYSA-N 406.235 5.052 0 40 HKAB COc1ccc([C@H](CCNC(=O)C[C@@H](Cc2ccccc2)c2ccco2)C(C)C)cc1 2092469 MIXSEIOQJWDTQT-ILBGXUMGSA-N 419.565 5.951 0 40 HKAB biogenic CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1ccc(OC(F)(F)F)cc1 2721901 ODQYSNCRVUMVNC-UHFFFAOYSA-N 423.416 5.052 0 40 HKAB CC(C)(C)C(=O)Oc1cccc(Nc2ncnc3ccc(Br)cc23)c1 2886925 OBNUOZRLPHIWIB-UHFFFAOYSA-N 400.276 5.087 0 40 HKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1C 2887580 YPKDHAAETLSGSW-UHFFFAOYSA-N 420.365 5.708 0 40 HKAB Clc1ccccc1/C=C1\CCCC2=C1N=C1N=CNN1[C@H]2c1ccccc1Cl 3207539 CQVVXEGDIXUDOK-NKSQBSFPSA-N 409.320 5.774 0 40 HKAB C[C@]12CC[C@H](O[C@@H]3CCCOC3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2CCO 4104898 QAXOXOIELCAIDC-KEYWPISJSA-N 404.635 5.592 0 40 HKAB biogenic,in-vitro O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(Cl)c(Cl)c3)[C@H]12 4311542 AJIAWTPEXUHVFS-UGKGYDQZSA-N 410.325 6.774 0 40 HKAB CCOc1ccc2ccccc2c1[C@H]1N=C(O)c2c(sc3c2CCN(CC)C3)N1 4556167 SOWBQPIMAGQQEH-NRFANRHFSA-N 407.539 5.107 0 40 HKAB O=C1CC[C@H](c2ccccc2)c2cc(Oc3c(F)c(F)nc(F)c3Cl)ccc21 4568424 ZOBOUTQIYXRUTD-CYBMUJFWSA-N 403.787 6.053 0 40 HKAB CCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 4591967 DSQQVVPFFVRXPM-UHFFFAOYSA-N 413.271 5.310 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2Cl)cc1 4614602 MAYDEEDKUAVWKO-RWEWTDSWSA-N 404.853 5.580 0 40 HKAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c2ccccc12 4660176 JTFOKZUSRYCGRX-OFVILXPXSA-N 412.514 6.152 0 40 HKAB Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc45)=NN32)cc1 4862826 SVWJSFGZNPWFDW-AOYPEHQESA-N 410.904 6.736 0 40 HKAB Cc1c(C(=O)OCCc2ccccc2)[nH]c2c1C(=O)C[C@H](c1ccccc1Cl)C2 4911758 NASSJBHVQCYGTA-QGZVFWFLSA-N 407.897 5.289 0 40 HKAB COc1cccc(OP(=NC(=S)N2CCOCC2)(C(C)(C)C)C(C)(C)C)c1 5417388 SAFDNYFVUSBJNU-UHFFFAOYSA-N 412.536 5.404 0 40 HKAB COc1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)cc1Cl 5481468 JUTRSZWQEFVFCB-KZULUSFZSA-N 404.963 5.415 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1oc2ccccc2c1COc1ccccc1 6153115 HISZDTVDGQOKEU-UHFFFAOYSA-N 407.853 5.926 0 40 HKAB COc1ccc(CCCc2nnc(SCc3ccc(Cl)cc3)n2C)cc1C 6471538 ZYDBQNZXKLBRPE-UHFFFAOYSA-N 401.963 5.253 0 40 HKAB CCc1ccc2c(CSc3nn(-c4ccccc4)c(=S)s3)cc(=O)oc2c1 6542351 JUKXETXIKZDTQJ-UHFFFAOYSA-N 412.561 5.624 0 40 HKAB O=c1cc(COc2cc(Cl)ccc2Cl)nc2scc(-c3ccccc3)n12 6738857 PKLBFCOQHCBBBJ-UHFFFAOYSA-N 403.290 5.309 0 40 HKAB COc1cc2c(cc1NC(=O)CCCOc1ccc(C(C)=O)cc1)oc1ccccc12 6882224 JXHIZQGEXAOPEF-UHFFFAOYSA-N 417.461 5.595 0 40 HKAB COc1cccc(-n2c(SCc3cccc(Cl)c3)nc3ccccc3c2=O)c1 6898014 HWOXTJKELPXOSC-UHFFFAOYSA-N 408.910 5.340 0 40 HKAB O=C(CN1CCCSc2ccccc21)N1CCC[C@H](c2nc3ccccc3s2)C1 7218319 VJLDQSIXRMUBOK-KRWDZBQOSA-N 423.607 5.005 0 40 HKAB O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccc2c(c1)OC1(CCCC1)O2 7735386 AQJWNZQCIOUMEB-UHFFFAOYSA-N 410.470 5.172 0 40 HKAB COc1ccc(Nc2nc(CSc3nc(-c4cccs4)n[nH]3)cs2)cc1 8184740 HCPCCINPWAEHTP-UHFFFAOYSA-N 401.542 5.034 0 40 HKAB Cc1ccc(-c2csc(NC(=O)CSc3nc(-c4ccccc4)c[nH]3)n2)cc1 8311074 NBQVUWCMHIMWAP-UHFFFAOYSA-N 406.536 5.239 0 40 HKAB O=C(Cc1csc(-c2cccs2)n1)NCCC(c1ccccc1)c1ccccc1 8395207 WYWKZTMXTVSAAS-UHFFFAOYSA-N 418.587 5.753 0 40 HKAB O=C(CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)Nc1ccccc1F 9198742 RJBFLIFAJVOEIK-UHFFFAOYSA-N 415.540 5.737 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 9643581 PBXQRXVOCIAQFM-UHFFFAOYSA-N 423.925 5.574 0 40 HKAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1 9851278 UARNTRWZRCFZIJ-UHFFFAOYSA-N 424.353 5.249 0 40 HKAB Cc1cc(C)c2oc(-c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3Cl)nc2c1 10039668 QHIMXLSVBKTBEE-UHFFFAOYSA-N 420.852 5.746 0 40 HKAB Cc1nc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1Cl 10119508 OXSXQFJSWBGVKF-RUDMXATFSA-N 407.684 6.262 0 40 HKAB O=C(Cc1ccc(Br)cc1)N[C@H](c1ccc(F)cc1)c1cccs1 10291008 CELQWRFRQRFRHE-LJQANCHMSA-N 404.304 5.098 0 40 HKAB CC[C@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccc(Cl)cc1 10426073 YNWWMEAHZXMSCB-INIZCTEOSA-N 410.930 5.081 0 40 HKAB COc1c(Cl)ccc(Cl)c1C(=O)Nc1cccc(Nc2nc(C)cc(C)n2)c1 11640317 YBNKJWHBCRIZMB-UHFFFAOYSA-N 417.296 5.405 0 40 HKAB COc1ccc(NC(=O)c2c(C)nc(-c3cccs3)nc2SC)cc1Cl 12810885 JSTPGCABRAWRES-UHFFFAOYSA-N 405.932 5.150 0 40 HKAB O=C(Nc1ccc(/C=C/c2nc3ccccc3s2)cc1)c1cccc(C(F)(F)F)c1 12961419 KDXHMUHPKUBUAQ-JLHYYAGUSA-N 424.447 6.738 0 40 HKAB CN(C(=O)C[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 13681681 UILRNQWJILQPJY-RTWAWAEBSA-N 403.925 5.417 0 40 HKAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 14190119 XSIBPFPENKWXEB-FQEVSTJZSA-N 410.587 5.062 0 40 HKAB CC(=O)N1CCc2cc(N[C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)ccc21 15525535 LZOXSMJYGWTTAB-RUZDIDTESA-N 409.489 5.113 0 40 HKAB CCc1ccc(OCC(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1 16162005 RCOFPZBJXRPWKW-UHFFFAOYSA-N 400.478 5.692 0 40 HKAB COc1ccc2c(C(F)(F)F)cc(SCc3cn4cc(Cl)ccc4n3)nc2c1 16227855 PSBUWKWNJXGGFA-UHFFFAOYSA-N 423.847 5.856 0 40 HKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1 17092584 QEJJNOUNYZUVTK-UHFFFAOYSA-N 421.294 6.072 0 40 HKAB COc1ccc([C@]23C[C@@H](C)Sc4ccccc4N2C(=O)[C@@H]3Oc2ccccc2)cc1 17154309 ODFJXRMKCCRMBW-LAMXGVLKSA-N 417.530 5.269 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20151212 KDGGDKNRDMQCGZ-UHFFFAOYSA-N 408.306 5.477 0 40 HKAB Cc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 20152209 LALRBZGVIGZJMH-UHFFFAOYSA-N 420.365 5.611 0 40 HKAB CCOc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCc1cccc(Cl)c1 20244054 HGJDCRALIUMWNZ-QFIPXVFZSA-N 408.885 5.172 0 40 HKAB O=C(OC1CCCCC1)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 20412135 RLTMWYQSUSVIDS-UHFFFAOYSA-N 413.517 5.947 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccccc1OC(F)F 21595271 RLQMUJZLXWYJGD-ACCUITESSA-N 414.433 5.074 0 40 HKAB C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccccc1OC(F)F 25300177 JIXWNYGFAAWQKT-LBPRGKRZSA-N 422.378 5.031 0 40 HKAB O=C(c1ccco1)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 26131607 GTXJOVBGBKBBDD-HNNXBMFYSA-N 422.428 5.248 0 40 HKAB Cc1cc(NC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)n(C)n1 29271996 IMQOYGPDBAHSKG-UHFFFAOYSA-N 417.507 5.013 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)c1 32611282 QZPJLRQBMLWPMB-UHFFFAOYSA-N 420.578 6.138 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3)n2)cc1 32623156 LZWZEVDNDYRRJQ-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccc(F)c3c2C(=O)C[C@H]3C)o1 32789302 QDLSICDIOGBYCP-GFCCVEGCSA-N 419.412 5.108 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 35415704 VUCDSTCRVYGRSG-HZAFHUMQSA-N 400.647 6.568 0 40 HKAB O=C(NCCSCc1ccccc1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 36395276 GVGCAKPBZFPMOR-OALUTQOASA-N 408.592 5.396 0 40 HKAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3cccc4cc(-c5ccccc5)oc34)c12 36616200 PPIPFBJPZKYLQA-UHFFFAOYSA-N 422.488 5.820 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38850577 HBZCSHRZKUXEFG-AWEZNQCLSA-N 414.830 5.349 0 40 HKAB Fc1ccc(Br)cc1CN[C@H]1CCCc2c1cnn2Cc1ccccc1 40086369 JMZDVZAUCLIKNI-FQEVSTJZSA-N 414.322 5.000 0 40 HKAB Cc1cccc(OCc2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)c1 40300949 OUOHDGIQALZQJV-UHFFFAOYSA-N 405.885 5.216 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078975 DTEYKNSAKDLKQI-UHFFFAOYSA-N 408.860 5.324 0 40 HKAB Cc1ccc2c(Nc3cccc(C(C)C)c3)c(C(=O)N3CCCC[C@H]3C)cnc2n1 49005322 IBWSUHZBYHJPED-GOSISDBHSA-N 402.542 5.820 0 40 HKAB COc1cc(CN(C)[C@H](C)c2nc3ccccc3s2)c(OC)cc1Br 57373726 COOUGXMONRWCQQ-GFCCVEGCSA-N 421.360 5.269 0 40 HKAB O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)c1cc(Cl)sc1Cl 60239395 ICICVUPVBYMISU-UHFFFAOYSA-N 416.333 5.383 0 40 HKAB O=c1c2ccccc2nc(SCc2cccc(F)c2)n1Cc1ccc(Cl)cc1 67259580 LWRFSBLKGYZHQH-UHFFFAOYSA-N 410.901 5.530 0 40 HKAB Cn1cc(-c2cccc(C(=O)Nc3ccccc3Oc3ccccc3Cl)c2)cn1 72295267 COKFBVHPCYWCBZ-UHFFFAOYSA-N 403.869 5.785 0 40 HKAB Cc1ccc(C)c(OCc2nnc(SC[C@H](C)C(=O)c3ccc(F)c(F)c3)o2)c1 96006594 SKKGMXWHGJWWOR-AWEZNQCLSA-N 418.465 5.155 0 40 HKAB O=C(NCc1cccs1)c1ccc2onc(-c3csc(-c4cccnc4)n3)c2c1 96154406 QWJPJXWBSGIYOI-UHFFFAOYSA-N 418.503 5.005 0 40 HKAB CCCCc1ccc(N/C=C2/C(=O)N(c3nccs3)C(=O)c3ccccc32)cc1 102626457 BBQJCLNRWXCBLH-HMMYKYKNSA-N 403.507 5.126 0 40 HKAB COc1cccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nn32)c1 102660319 ILPBLIJKPWHQRZ-OAQYLSRUSA-N 418.522 5.251 0 40 HKAB CC[C@@H](C)c1ccc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)c3ccccc32)cc1 102898306 SGFHLRPSNVGEPX-WNIQNGNASA-N 424.544 6.457 0 40 HKAB CC1=C(CC[C@@H](C)CO)O[C@@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 118917496 IQDKIMJGXXRZGR-SCOXKCISSA-N 416.646 5.698 0 40 HKAB Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 144202601 BWWZBKMZZULWEC-MOSHPQCFSA-N 418.474 5.033 0 40 HKAB CC[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(C)cc1C 218858553 BJUXMQRUNLLKHF-KRWDZBQOSA-N 410.739 5.366 0 40 HKAB Cc1ccccc1OC[C@H](C)NC(=O)c1cc(Cl)ccc1OCc1ccccc1 219773998 MUZADDPRESIYEG-SFHVURJKSA-N 409.913 5.425 0 40 HKAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(C(C)C)cc2)cc1 222574484 GQFGIAJFKUJSHD-JCMHNJIXSA-N 420.534 5.290 0 40 HKAB CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)o2)cc1 222630469 FJZZEVPHVHNTLL-ARBPTSGCSA-N 405.523 5.330 0 40 HKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccccc3Sc3ccccc3)N21 222689806 PHYKAUPOQSAPMW-JJEOQYAHSA-N 417.603 6.212 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 223018135 CPYFQKOXNCKOTA-MRXNPFEDSA-N 421.946 5.171 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)cc1 224197275 XYWCLDZACZXHSH-JWQCQUIFSA-N 424.573 5.666 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccc(OC)cc1 224601240 GKUFNXMBDMFDFS-UHFFFAOYSA-N 419.477 5.128 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1COC 224690256 PDZGNCACMGTGJV-UHFFFAOYSA-N 423.896 5.368 0 40 HKAB S=C1N[C@@](Cc2ccccc2)(c2ccc(-c3ccccc3)cc2)NN1c1ccccc1 225350700 KFYDEKUQGWFYEE-HHHXNRCGSA-N 421.569 5.648 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c2ccccc12 225764825 SUPDDCPIXKUIEC-UHFFFAOYSA-N 421.968 7.123 0 40 HKAB O=C1CC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)Oc2cc3c(cc21)CCCC3 225825981 GKOJBOQPRYZITK-UHFFFAOYSA-N 424.928 5.251 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2cc(N)ccc2N2CCC(C)CC2)cc1Cl 226261874 FRZHZENCNPQRTJ-UHFFFAOYSA-N 408.329 5.073 0 40 HKAB C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)C4=CC[C@]3(C)[C@@H]1[C@H]2C 253505111 QCVKYDNFSXDPSW-ABYZBOQSSA-N 414.630 5.714 0 40 HKAB biogenic,in-vitro CCCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(CC)c1-c1ccccc1 408563239 UWTOPKORWYJLLO-GYHWCHFESA-N 414.958 5.592 0 40 HKAB Cc1cc(Br)ccc1NCc1cccc(OCc2ccc(Cl)cc2)c1 408611074 QBSZCMWGOYAUNR-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB COc1c(C(=O)Nc2cccc(Cl)c2C)cc2ccccc2c1Br 408623419 UAQBDJWAFLJIJT-UHFFFAOYSA-N 404.691 5.825 0 40 HKAB CC1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2Cl)CC1 408629298 VUUQDQTVVGOJRE-UHFFFAOYSA-N 404.941 6.496 0 40 HKAB Cc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 408697354 GOPXJSICYLKGCW-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2ccccc2Cl)nc1-c1ccc(Cl)cc1 408699661 VMRQHEWXSAZXCQ-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)cc1 408780895 MSYZQQDANZOUPI-ZDQFFALBSA-N 416.546 5.428 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H](C)SCc1ccccc1 408921692 VDUWTHFQQMKTHC-IBGZPJMESA-N 407.604 6.548 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1cccc(C(F)(F)F)c1)[C@H]1Cc3ccccc3[C@@H]21 408993640 DUELBAKYOFUDOV-PCCBWWKXSA-N 409.407 5.875 0 40 HKAB CC(C)N1C(=O)S/C(=C/c2ccccc2OCc2cccc3ccccc23)C1=O 409018943 XNSCTQGUMGXLHF-HYARGMPZSA-N 403.503 5.864 0 40 HKAB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1ccc(Cl)cc1 409051125 AHKAOVMIJVEJJY-UHFFFAOYSA-N 408.885 6.522 0 40 HKAB CCN1C(=O)S/C(=C\c2cn(CCCOc3ccccc3C)c3ccccc23)C1=O 409138201 ZLTQIXDMYGRGAT-JCMHNJIXSA-N 420.534 5.475 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cccc2ccccc12 724749 QPLFBWKWRDSGJR-UHFFFAOYSA-N 405.306 5.282 0 40 HKAB COc1ccc(-c2csc(N(Cc3ccccc3)C(=O)C3CCCCC3)n2)cc1 929092 YUIGVOHKCJKBSP-UHFFFAOYSA-N 406.551 5.932 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)cc1 995827 ZCPUQOHZOXKUKN-UHFFFAOYSA-N 414.534 5.282 0 40 HKAB Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 1380126 ABXVSFFMVRRWAF-HSZRJFAPSA-N 420.484 5.174 0 40 HKAB COc1cccc(COc2ccc3c(=O)c(-c4ccccc4OC)c(C)oc3c2)c1 1463885 BBLNEGDRWNLUMZ-UHFFFAOYSA-N 402.446 5.365 0 40 HKAB biogenic Clc1ccc2c(c1)/C(=C/c1ccnc3ccccc13)c1cc(Cl)cc(Cl)c1-2 1722525 AJRYLVHLRKBMCU-NVMNQCDNSA-N 408.715 7.764 0 40 HKAB COc1cc(/C=C/C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1 1768537 FDSXKNAJBXGQCO-MDWZMJQESA-N 421.924 6.196 0 40 HKAB C[C@@H](C(=O)Oc1ccc(O)c(C(C)(C)C)c1)c1cccc(C(=O)c2ccccc2)c1 2061854 XQOJZDPNKVFENF-QGZVFWFLSA-N 402.490 5.630 0 40 HKAB COc1ccc(Cc2nc(Nc3ccc(Br)cc3)c3ccccc3n2)cc1 2233053 GCWVXKRPTHXLMA-UHFFFAOYSA-N 420.310 5.735 0 40 HKAB CC(C)COc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1 2265286 SVLCBKWAVZJRCA-UHFFFAOYSA-N 424.548 5.861 0 40 HKAB Cc1ccccc1Nc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 2690367 LTTHCCXEBHATNW-UHFFFAOYSA-N 424.729 6.765 0 40 HKAB O=C(/C=C/c1c(Cl)cccc1Cl)NCCC(c1ccccc1)c1ccccc1 2729664 XIOFDXFJTXXFJC-CCEZHUSRSA-N 410.344 6.345 0 40 HKAB Cc1ccc(SCc2nn(C)c(Cl)c2CSc2ccc(Cl)cc2)cc1 3105895 MDFFWWQAMPJFPX-UHFFFAOYSA-N 409.407 6.620 0 40 HKAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1cc(Cl)cc(Cl)c1 3363809 AHOCMFFARQCBIB-UHFFFAOYSA-N 417.079 5.261 0 40 HKAB COc1ccc(C(=O)Nc2ccc(-c3ccc4nn(-c5ccccc5)nc4c3)cc2)cc1 3844699 OQYCLDGWRWXZPO-UHFFFAOYSA-N 420.472 5.348 0 40 HKAB biogenic O=C(C1c2ccccc2Oc2ccccc21)N1CCC(c2nc3ccccc3[nH]2)CC1 4314962 YQWPSBWAWRSGKV-UHFFFAOYSA-N 409.489 5.207 0 40 HKAB CCOC(=O)c1ccccc1Nc1nc(-c2ccccc2)c2c(n1)-c1ccccc1CC2 4406330 PLQNDUAVVBPOEL-UHFFFAOYSA-N 421.500 5.830 0 40 HKAB Fc1cccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)c1 4424240 KZRUWMSYXHVGOU-FXAWDEMLSA-N 413.246 5.424 0 40 HKAB O=C(Nc1nccs1)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 4536553 DKEJSGIHTCDYGA-UHFFFAOYSA-N 413.502 5.166 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2C(=O)OCc2ccc3ccccc3c2)cc1 4610479 RMJPPHXAYYGIMB-UHFFFAOYSA-N 411.457 5.458 0 40 HKAB O=C(CSc1nc(-c2ccccc2)[nH]c1-c1ccc(F)cc1)Nc1nccs1 4927746 MXBAQGRTIPWPLN-UHFFFAOYSA-N 410.499 5.070 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1Cc1ccccc1 5044524 OQVMVLUBYGJINS-HSWFVFMJSA-N 417.508 5.106 0 40 HKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccccc1F)c1ccc(Cl)cc1 5268717 SSIFPZUBKCONFW-UHFFFAOYSA-N 409.869 5.973 0 40 HKAB Cc1ccc(N2C(=O)C[C@]2(C(=O)Nc2ccccc2C)c2ccc(C(C)C)cc2)cc1 5451688 AWFPYTJTGJSNGS-HHHXNRCGSA-N 412.533 5.698 0 40 HKAB Fc1ccccc1Cn1ccc(-c2cccc(OCc3c(F)cccc3Cl)c2)n1 5771366 VHTRSMIRBUENDE-UHFFFAOYSA-N 410.851 6.109 0 40 HKAB COc1c(CC=C(C)C)c(O)cc2c1[C@@H]1Oc3cc(O)c(CC=C(C)C)cc3[C@@H]1CO2 5854719 WIEKYGJSRGBBTQ-AFMDSPMNSA-N 422.521 5.734 0 40 HKAB biogenic,in-vitro Cc1cccc(NC(=O)c2ccccc2NC(=O)CSCc2ccccc2)c1C 5943020 FVDKVHSOGIDDSF-UHFFFAOYSA-N 404.535 5.428 0 40 HKAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)[C@@H]1C 5944134 ADILOWWLRFRUNW-WHSLLNHNSA-N 423.557 5.469 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Cc1ccc(Cl)cc1 6047231 UFFLXELVBVRWIE-UHFFFAOYSA-N 413.926 5.735 0 40 HKAB COc1c(F)c(F)c(C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)c(F)c1F 6229566 GJZCBWCXMRGMCI-UHFFFAOYSA-N 416.802 5.148 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1S(=O)(=O)Nc1ccccc1 6707063 VGCPNULDARNIAP-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB COc1ccccc1-c1cncnc1-c1ccc(OCc2cccc(Cl)c2)cc1O 6719467 PPBBFHZZHOEKKX-UHFFFAOYSA-N 418.880 5.757 0 40 HKAB biogenic COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2ccccc2Cl)cc1 7156387 PIRZDQWUGWLDQH-JOCHJYFZSA-N 420.896 5.105 0 40 HKAB O=C([C@@H]1CCCO1)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2Cl)cs1 8074235 BAEJOQIHGDCSCO-IBGZPJMESA-N 416.905 5.315 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1C 8586526 IVVNWJXTPIWGPX-UHFFFAOYSA-N 405.885 5.518 0 40 HKAB aggregator Cc1ccc(N[C@@H](CC(=O)c2ccc(Br)cc2)c2ccc(F)cc2)cc1 9239208 CBJXJGPOBBJSDS-NRFANRHFSA-N 412.302 6.323 0 40 HKAB Clc1ccc(-c2nc3c4ccccc4nc(SCCN4CCCCC4)n3n2)cc1 9483038 UUTUQALHMMXPBC-UHFFFAOYSA-N 423.973 5.176 0 40 HKAB CC1=C(C)[C@@H](N(c2ccccc2)c2ccccc2)N([C@@H](C)CCc2ccccc2)C1=O 9680379 KIXDWDRSFRNNDY-KDYSTLNUSA-N 410.561 6.351 0 40 HKAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1cccc(Br)c1 10120002 FZKDIUORTPBHAN-UHFFFAOYSA-N 407.267 5.433 0 40 HKAB COc1ccc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1OC 10971696 LINFHMWTGYJLOX-UHFFFAOYSA-N 422.428 5.022 0 40 HKAB CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(-c3ccc(C)cc3)oc2cc1O 11867609 YHILYQRSELODFD-UHFFFAOYSA-N 410.473 5.590 0 40 HKAB biogenic O=C1O[C@]2(C[C@H](c3ccccc3)[C@@H]3CCCC[C@@]34Nc3ccccc3N42)c2ccccc21 12655091 JQKXIOGQANFJIF-BYXJMBFLSA-N 422.528 6.016 0 40 HKAB biogenic Clc1ccc(-c2cc(-c3nnc(SC[C@@H]4CCCO4)o3)c3ccccc3n2)cc1 13115673 FBKATSZWGNGANM-INIZCTEOSA-N 423.925 5.876 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 13674911 DVDZKJBQROGCGS-UHFFFAOYSA-N 409.982 7.182 0 40 HKAB Cc1cc(C)nc(Nc2ncc(-c3ccc(Br)cc3)n2-c2ccccc2)n1 14608327 MQUMOTOEKIYYAM-UHFFFAOYSA-N 420.314 5.452 0 40 HKAB COc1ccc(-n2c(SCC(=O)c3cc4ccccc4o3)nc3ccccc32)cc1 15980747 QNOPKXPFKLKPQJ-UHFFFAOYSA-N 414.486 5.755 0 40 HKAB COc1ccc(/C=C2\C[C@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)O)cc1 19229879 GAPWIIRKBBTHQT-KJCUYJGMSA-N 401.506 6.091 0 40 HKAB Cc1csc([C@H](Cc2ccsc2)NCc2cc3ccccc3nc2N(C)C)n1 19240221 FJLIGOWFJKBGIO-FQEVSTJZSA-N 408.596 5.201 0 40 HKAB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OCC)c2)n2c(nc3ccccc32)N1 20672364 RDSQZVUWIZSLOL-JOCHJYFZSA-N 405.498 5.067 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)c3cn4c5c(cccc5c3=O)CCC4)ccc21 22235507 TXOJLGNRBUKMGN-UHFFFAOYSA-N 421.500 5.328 0 40 HKAB Cc1cc(C)c(OCC(=O)n2c(SCc3ccccc3)nc3ccccc32)c(C)c1 27018349 DMFUYNWAJYIYEL-UHFFFAOYSA-N 416.546 5.973 0 40 HKAB C[N+]1=C(/C=C/C=C2\C=C(C(C)(C)C)c3ccccc3S2)C(C)(C)c2ccccc21 27988440 MPFBFFRRYICXGT-UCXDMDGBSA-N 400.611 7.368 0 40 HKAB Cc1noc(-c2ccc(Cl)cc2)c1C(=O)Nc1nc2ccc(Cl)cc2s1 41097605 YSXZRXSFZLQHIZ-UHFFFAOYSA-N 404.278 5.819 0 40 HKAB Cc1ccc(Oc2cccc(C(=O)Nc3ccc(-c4csc(C)n4)cc3)c2)nn1 56906687 PIKCRKVVNXCMLG-UHFFFAOYSA-N 402.479 5.262 0 40 HKAB CC(=O)c1cc2c(N)c(C(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)sc2nc1C 58444240 LGZNHUJOFBSVDU-QMMMGPOBSA-N 422.337 5.187 0 40 HKAB CC[C@H](C)Sc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)c(C(F)(F)F)c1 60306315 DGCZRGONMPISTH-AWEZNQCLSA-N 419.472 6.034 0 40 HKAB Cc1ccc(-n2cc(-c3nc(-c4cccc(Cl)c4)no3)c3ccccc3c2=O)cc1 67245260 ONGDHDXCLWDTGC-UHFFFAOYSA-N 413.864 5.670 0 40 HKAB CC(C)c1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)cc1 67294895 KRXRVWTVPKGLLX-DAFNUICNSA-N 423.925 6.151 0 40 HKAB Clc1cccc(-c2noc([C@@H]3CC34CCN(c3ncnc5sccc35)CC4)n2)c1 71890519 HNMOTNKDTWPASS-INIZCTEOSA-N 423.929 5.169 0 40 HKAB O=C(C1CCCC1)N1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358957 RLBCEHVJUWINCQ-QGZVFWFLSA-N 403.448 5.059 0 40 HKAB CCCCN1C(=O)N(c2ccc(OCC)cc2)[C@@H]2N(CCCC)[C@H]1C(C)(C)C2(C)C 73352984 LMMIGDVIKSSQIE-YADHBBJMSA-N 415.622 5.948 0 40 HKAB O=C(Cc1cccc2ccccc12)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200155 AOSQBDLJJOUPQN-FCHUYYIVSA-N 402.494 5.058 0 40 HKAB CSc1ccc([C@H]2C3=C(O)CCCC3=Nc3nn(-c4ccccc4)c(O)c32)cc1 102867157 XBFVWGNYJBMDJP-IBGZPJMESA-N 403.507 5.514 0 40 HKAB O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1ccccc1Cl 214103397 PPCOFVHDUWTEKI-OQLLNIDSSA-N 408.704 5.339 0 40 HKAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 216323595 VSQCNVDVKPXOFR-QFIPXVFZSA-N 423.896 5.376 0 40 HKAB Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 222824157 QNJUNFOAXIYBML-NHCUHLMSSA-N 409.580 5.515 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1Cc1ccccc1 223378672 OZOKMXMFIVMYBV-XZOQPEGZSA-N 402.567 5.171 0 40 HKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(CC)cc1 223694253 UQIUYFKRILDNTN-RUZDIDTESA-N 422.613 5.214 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccc(Cl)cc1 224165135 VNSPCPKRRGOYBL-OAHLLOKOSA-N 413.876 5.558 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 224200025 MGSXXCLDKIUBAU-GOTSBHOMSA-N 404.583 5.566 0 40 HKAB C[C@@H](CNC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccccc1 224251937 VPDSKXOSAXLTEU-HNNXBMFYSA-N 404.348 5.045 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(CN2CCCCC2)cc1 224539570 TYVRQUPEVCDFGH-UHFFFAOYSA-N 405.369 5.228 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1CSc1ccc(C)cc1 224664960 GMDFRIIHIGLJPF-UHFFFAOYSA-N 420.534 5.037 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)NC1CCCCC1 225326727 LLAVURZSGAYLJH-UHFFFAOYSA-N 419.352 5.627 0 40 HKAB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1 225336752 PZQZROOHSWBEAG-GOTSBHOMSA-N 420.582 5.428 0 40 HKAB Cc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Br)o2)c(N)c1 226349219 UJXHBUHAHSUBBT-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB S=C(NCc1ccccc1)c1cccc(OCc2c(Cl)cccc2Cl)c1 408571308 AZNWYNLOTKOYEA-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)c1cccc(F)c1 408628319 WSKDKJCMJQSDEV-UHFFFAOYSA-N 410.297 5.528 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2ccc(C)c(C)c2)c1 408698558 OBFIPAWTFPDFQI-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB COc1ccc2c(c1)-c1nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc1CC2 409052435 HLSIEJVBYWSXJS-UHFFFAOYSA-N 412.514 5.837 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 409216272 JMMWVSNXDUOPON-OTGIAGGSSA-N 417.914 5.767 0 40 HKAB CC(=O)N1CCc2cc(NC(=O)N(C)[C@H](C)c3ccc(Cl)c(Cl)c3)ccc21 519906474 DYFQISHSDCYQFN-GFCCVEGCSA-N 406.313 5.127 0 40 HKAB CCCc1nc(Cc2ccccc2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265667 XGTHISGGYWTVTL-UHFFFAOYSA-N 410.311 5.753 0 40 HKAB CCCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(Cc2ccc(Cl)cc2)n1 585265997 XPMOTXJTVUGWIR-UHFFFAOYSA-N 416.304 6.133 0 40 HKAB Cc1sc2nc(C(F)(F)F)nc(NCC3(N(C)C)CCCCCC3)c2c1C 1614668889 AUYIYJLMCYPKOH-UHFFFAOYSA-N 400.514 5.393 0 40 HKAB Cc1ccc(NC(=O)c2sc3nc(-c4ccc5c(c4)OCO5)ccc3c2N)cc1C 661425 CLWYSQNHHZQZBA-UHFFFAOYSA-N 417.490 5.143 0 40 HKAB CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCc1cccc(C)c1 1341200 CNOSPJRFDVUACZ-UHFFFAOYSA-N 416.525 5.205 0 40 HKAB CN(C)C(=O)c1cnc(-c2ccccc2)nc1Sc1cccc(C(F)(F)F)c1 1404987 LGFDTXFZKICYCQ-UHFFFAOYSA-N 403.429 5.015 0 40 HKAB Cc1ccc(-n2sc3c(c2=S)-c2cc(C)cc4c2N(C(=O)C4=O)C3(C)C)cc1 2220156 RREFHIVOIFENIE-UHFFFAOYSA-N 406.532 5.330 0 40 HKAB Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccccc2F)n1 2234977 KBYSZERCYUWTNG-QFIPXVFZSA-N 414.436 5.002 0 40 HKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CC(C)(C)OC3 2288128 SUEXGRDVIXHIMA-UHFFFAOYSA-N 414.596 5.499 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCc3ccc(Cl)cc3)cc12 2289864 GCNQGDODDFQHII-UHFFFAOYSA-N 406.865 6.509 0 40 HKAB biogenic CCCSc1nc(NCc2ccco2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2345841 HQRVPSCUQVNLJX-FQEVSTJZSA-N 403.573 5.640 0 40 HKAB CCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C)c2)cc1 2411252 WUMFSWXGYNAZNJ-UHFFFAOYSA-N 418.522 5.045 0 40 HKAB Cc1ccccc1C(=O)Nc1c(-c2ccc(Cl)cc2)c(=O)c2ccccc2n1C 2442893 KNXHWVMTXDKEPK-UHFFFAOYSA-N 402.881 5.420 0 40 HKAB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1cccc2c(Cl)cccc12 2595357 QCMIAXIFCXWACJ-UHFFFAOYSA-N 415.902 5.369 0 40 HKAB CC(=O)Nc1ccc(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 2621602 FIFWKQDLQCYTOE-XMMPIXPASA-N 400.503 5.843 0 40 HKAB Cc1cc(C)c(C(=O)COC(=O)COc2ccccc2Cc2ccccc2)cc1C 2631504 NCBDXEYLMISJGV-UHFFFAOYSA-N 402.490 5.008 0 40 HKAB CCOc1ccccc1-c1csc(NC(=O)c2cccc(Br)c2)n1 2888742 GVPIUOVRJXLDAO-UHFFFAOYSA-N 403.301 5.224 0 40 HKAB O=C1S/C(=C\c2ccccc2Cl)C(=O)N1CNc1cccc(C(F)(F)F)c1 2898131 SWGFJPRWMGZYDL-NVNXTCNLSA-N 412.820 5.465 0 40 HKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1F 4342003 YMKYXUWTKBLBDS-UHFFFAOYSA-N 418.424 5.475 0 40 HKAB CN(Cc1ccco1)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 4516628 OXUFHGSHUQVPGF-UHFFFAOYSA-N 404.491 5.352 0 40 HKAB O=C(Nc1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1)c1cccs1 4543566 YZLDMWFIPHNPRO-UHFFFAOYSA-N 412.514 5.771 0 40 HKAB COc1ccc([C@H]2C[C@@H](c3ccccc3Cl)n3ncnc3N2C(=O)C(C)(C)C)cc1 4816881 FMBDJPAHUUUOAB-UXHICEINSA-N 424.932 5.054 0 40 HKAB CC(=O)Oc1ccc(OC(C)=O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@@H](C)CCC[C@H]32)c1 5533693 JNPCOXQSZZCMMB-OATSOOBQSA-N 400.559 5.958 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(OC)c(Br)c1 5949818 SREBWAJZHGVLQV-GFCCVEGCSA-N 421.360 5.098 0 40 HKAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)COc2ccc(Cl)cc2Cl)c1 6263844 JNQIFXZZHRVXCK-UHFFFAOYSA-N 415.704 5.403 0 40 HKAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc([C@@H](C)Oc3ccc(F)cc3)o2)cc1 6374503 DZTUEOVDQVHVCP-ZIAGYGMSSA-N 415.490 5.030 0 40 HKAB COc1ccc(-c2cc(OC(=O)c3cccc(Cl)c3)cc3sc(=O)oc23)cc1 6809683 BQCSLPANCDXUFG-UHFFFAOYSA-N 412.850 5.403 0 40 HKAB COc1ccc(OC)c2sc(NC(=O)c3ccc(Cc4ccccc4)cc3)nc12 7348963 JNPZVOILIIGQDR-UHFFFAOYSA-N 404.491 5.157 0 40 HKAB COCCNc1nnc(SCc2csc(-c3ccc(C(C)C)cc3)n2)s1 7738033 TUMUNFAGYKTHPO-UHFFFAOYSA-N 406.602 5.136 0 40 HKAB Cc1ccnn1-c1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1 7948163 SYDHJHZFQKNYKC-NRFANRHFSA-N 405.548 5.092 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1O 8188449 XMWIEHHZEXSPGU-UHFFFAOYSA-N 415.276 5.512 0 40 HKAB CCOc1cc(CNCc2cccs2)cc(Cl)c1OCc1ccccc1F 8254178 NGDBEFDWVXLDJL-UHFFFAOYSA-N 405.922 5.808 0 40 HKAB Cc1cc(C)cc(OCc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)c1 8743691 LRRBLNBMUNQVLP-UHFFFAOYSA-N 423.325 5.685 0 40 HKAB CN(Cc1cccs1)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 9127999 MPSVVYIOXAODSZ-UHFFFAOYSA-N 420.559 5.821 0 40 HKAB Cc1cccc(N[C@@H](CC(=O)c2ccc(Br)cc2)c2ccc(F)cc2)c1 9239197 JCVQKXMWICSUTB-NRFANRHFSA-N 412.302 6.323 0 40 HKAB Cc1ccc(-n2nc(C)c3c2N=C(O)CS[C@H]3c2ccc(Cl)cc2Cl)cc1 9307835 NNWMOPQZWJJMBH-IBGZPJMESA-N 418.349 6.220 0 40 HKAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 9360339 GZWZBDQUELRLFE-YVLHZVERSA-N 418.663 6.251 0 40 HKAB Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)cc(-c2nc3ncccc3o2)c1O 9422842 QTRRYVKNXTVREV-UHFFFAOYSA-N 413.477 5.354 0 40 HKAB CCc1c(C)noc1-c1cnc(N[C@H](C)c2cccs2)nc1-c1cnc(C)cn1 12156535 WTKOJRGJNIDIGN-CQSZACIVSA-N 406.515 5.002 0 40 HKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cc(Cl)cc(Cl)c1 12179179 ONZXDUMSRRWXEY-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB O=C1O[C@@H](c2ccccc2)Cc2cc(C(=O)N(Cc3ccc(F)cc3)C3CC3)ccc21 12568089 GOSUNJDCGXXIRL-XMMPIXPASA-N 415.464 5.085 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2sccc2n1Cc1ccc(F)cc1 13083097 MKKYLBVEYOTGPC-UHFFFAOYSA-N 419.308 6.449 0 40 HKAB Cc1cccc(OCc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)c1 13570504 XLEOXMNOPIOBQM-UHFFFAOYSA-N 409.298 5.376 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=O)COc1cccc2ccccc12)c1ccccc1 13684166 WIRBDGPKNRSXOJ-LJQANCHMSA-N 424.500 5.348 0 40 HKAB C[C@@H](c1ccc(-c2ccccc2)c(F)c1)c1nn2c(-c3ccccn3)nnc2s1 13718383 RJGIVBIMNJFUMY-AWEZNQCLSA-N 401.470 5.206 0 40 HKAB Cc1sc2ncnc(Sc3ccccc3C(=O)OCC(=O)C(C)(C)C)c2c1C 14095190 WYEQNNBEZWZGRP-UHFFFAOYSA-N 414.552 5.231 0 40 HKAB CCN(C(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1nc2cc(Cl)ccc2s1 14702063 YLSCTZFXENAVFF-UHFFFAOYSA-N 420.790 5.241 0 40 HKAB O=C(O)c1ccc(CNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 16401600 ZSUFIJPDIDJBSY-UHFFFAOYSA-N 416.304 5.560 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1C 17090629 DCCGSSAOASJXBL-UHFFFAOYSA-N 416.477 5.690 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2F)N2CCOCC2)c1C 19938618 AYPOPNPPFHVZTM-JOCHJYFZSA-N 424.541 5.178 0 40 HKAB COc1ccc(S[C@@H](C)C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1OC 20108715 ODGPOVPAYNXBKP-UUOWRZLLSA-N 421.562 5.399 0 40 HKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 20489853 DONCUDFNPDYVHO-QHCPKHFHSA-N 416.521 5.030 0 40 HKAB CCOc1ccc(-c2cc(C(=O)N(Cc3ccc(F)cc3)Cc3ccco3)no2)cc1 21524313 ZECKYOXYQGRBHB-UHFFFAOYSA-N 420.440 5.315 0 40 HKAB Cc1nc(-c2ccc(NC(=O)c3c[nH]c4ccc(Br)cc34)cc2)cs1 23074769 LPZDDOHBVFRNHU-UHFFFAOYSA-N 412.312 5.615 0 40 HKAB O=C1OC(c2ccccc2)=N/C1=C(/Sc1nc2ccccc2s1)c1ccccc1 27529775 YPJSINXLYOTBRC-FMQUCBEESA-N 414.511 5.761 0 40 HKAB OC1=Nc2ccccc2CC[C@H]1Sc1nnc(-c2ccccc2)n1C1CCCCC1 32097153 IGMAIRKWPBPFOK-OAQYLSRUSA-N 418.566 6.145 0 40 HKAB O=C(Oc1ccccc1Cl)c1nc(SCc2ccc(F)cc2)ncc1Cl 32623457 HJDWWSRUDPJPGX-UHFFFAOYSA-N 409.269 5.434 0 40 HKAB COc1cccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)c3c(C)nn(C)c3n2)c1 36616259 GVJLOADFHMQWRX-UHFFFAOYSA-N 414.509 5.328 0 40 HKAB Cc1ccccc1-c1cc2c(SCc3cccc(Br)c3)nccn2n1 38651967 YHQHUEKNJVZSTA-UHFFFAOYSA-N 410.340 5.760 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CC(=O)N(c2ccccc2Cl)C1 39918221 WLXYIEGXWVWUPL-JTQLQIEISA-N 417.214 5.004 0 40 HKAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1C 44840373 BOTRILAURWREPI-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CC(C)[C@@H](N[C@@H](C)c1nc2ccccc2c(=O)[nH]1)c1ccc(C2CCCCC2)cc1 49590267 OGZOQJPESBARSQ-MHECFPHRSA-N 403.570 6.019 0 40 HKAB O=C1S/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1c1ccccc1 59418138 ORCJBJAQYHVXBZ-KGENOOAVSA-N 405.450 5.646 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1OCc1ccccc1)c1ccc(Cl)cc1 59459241 RRRBQTQQFGZDSQ-UHFFFAOYSA-N 405.803 6.190 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(N2CCOCC2)c(Cl)c1 59477540 GUVPNRVHIZPPHB-DHZHZOJOSA-N 408.885 5.089 0 40 HKAB CC(=O)C[C@H](c1ccccc1)c1c(O)c2cccc(OCc3ccccc3)c2oc1=O 65734769 VSDJTMWCGIUVGS-OAQYLSRUSA-N 414.457 5.189 0 40 HKAB in-vitro CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1 67259606 HTXWMNFXVKFUDU-UHFFFAOYSA-N 404.535 5.628 0 40 HKAB CC(C)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1 67294453 SLAZBGINTRZEEN-FVDSYPCUSA-N 416.908 6.694 0 40 HKAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C\c3ccc(-c4ccccc4)cc3)NC(=O)CCN21 85907206 RROWJIDBOKEPEV-TVPNILDHSA-N 408.545 5.689 0 40 HKAB biogenic Clc1ccc(OCc2nn3c(-c4cc5ccccc5o4)nnc3s2)c(Cl)c1 96193907 XICXQRWNKQICPZ-UHFFFAOYSA-N 417.277 5.485 0 40 HKAB CCc1ccc(-n2cc(-c3nc(-c4cccc(C)c4)no3)c3ccccc3c2=O)cc1 96324356 SVUUSBNAGJCYJL-UHFFFAOYSA-N 407.473 5.579 0 40 HKAB CCCCc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 103718346 PKCWQOGEZOHCLH-HNNXBMFYSA-N 405.325 5.328 0 40 HKAB C[C@@H](CCc1ccccc1Cl)NC(=O)c1ccc2c(c1)nnn2C1CCCCC1 141587557 ZNXWZKHTKSXUQS-INIZCTEOSA-N 410.949 5.341 0 40 HKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(I)cc2)c1 199716605 BPGQBBJIMIEQAJ-UHFFFAOYSA-N 410.255 5.068 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1C(C)C 223371600 XWCWKIYGBCNQJE-IAGOWNOFSA-N 403.950 5.734 0 40 HKAB COc1ccc(CNC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3C)c2)cc1 224274787 ZZGQDTJWKXGYGL-UHFFFAOYSA-N 419.521 5.138 0 40 HKAB COc1ccc2cc(S(=O)(=O)N[C@H](c3ccccc3)c3cccc(C)c3)ccc2c1 224499505 CJKPOMAATXCMEB-RUZDIDTESA-N 417.530 5.225 0 40 HKAB COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1Cl 225524964 QOCYIFZSDQDWFV-UHFFFAOYSA-N 408.325 5.469 0 40 HKAB CC[C@H](C)Oc1c(C)cc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C 225578586 PCNJLBJSBFJLHB-SFHVURJKSA-N 415.961 5.821 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c2ccccc12 225766271 FDGDYRVGUHQTII-UHFFFAOYSA-N 421.968 7.121 0 40 HKAB O=C(O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 226340998 RFRMNVNNOUYKIE-ZZXKWVIFSA-N 402.071 5.433 0 40 HKAB COc1cccc(C(=S)N2CCC(C)CC2)c1OCc1c(Cl)cccc1Cl 408578824 ZLZDFOCTCMIWMQ-UHFFFAOYSA-N 424.393 5.988 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4ccccc4)c3)cc2)cc1 408671810 LHBRWZAORQSPSR-UHFFFAOYSA-N 422.484 6.292 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccccc2)c1C 408697745 IZSLWBZCQCIAQK-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccccc2Cl)C1=O 409013197 MEUSFAIDDNGAAJ-ONDHQXCVSA-N 401.915 5.754 0 40 HKAB Cc1ncsc1CN1CCC2(CC1)CO[C@@H](c1ccc(F)cc1)[C@H](C(C)C)C2 1615528101 NAAPGVSJNCXFPS-UNMCSNQZSA-N 402.579 5.607 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccc(F)cc1 865375 GNZUUCBCJASORF-UHFFFAOYSA-N 401.224 6.193 0 40 HKAB Cc1sc2ncnc(SCC(=O)N(Cc3ccccc3)c3ccccc3)c2c1C 933054 OISKOHYOSWJOMH-UHFFFAOYSA-N 419.575 5.634 0 40 HKAB Cc1c(C)c(C)c(C(=O)c2ccccc2C(=O)NCCSC(C)(C)C)c(C)c1C 1590881 VACOUCZYTVWGLG-UHFFFAOYSA-N 411.611 5.721 0 40 HKAB Cc1ccc(OCCCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1 1914111 ZDMOVQVXOHLCPQ-UHFFFAOYSA-N 421.924 5.986 0 40 HKAB C[C@H]1CCc2c(sc3ncnc(SCc4cccc(Br)c4)c23)C1 1915516 LXRKVFCSVXDODU-NSHDSACASA-N 405.386 5.871 0 40 HKAB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)Cc1ccc(Cl)cc1 2225398 GTAOMHCDSYQRAX-UHFFFAOYSA-N 418.924 6.761 0 40 HKAB Cc1nn2c(-c3ccc(NC(=O)c4ccccc4Cl)cc3)nnc2c2ccccc12 2447275 WSFXCZVJERDVDI-UHFFFAOYSA-N 413.868 5.159 0 40 HKAB Cc1cc(OCc2nc(-c3ccc(Br)cc3)no2)ccc1Br 2448173 VEPURBRPCLNOIV-UHFFFAOYSA-N 424.092 5.149 0 40 HKAB Fc1ccc(-c2csc3ncnc(NC4CCN(Cc5ccccc5)CC4)c23)cc1 2636113 XMLRNOWSSLJNNE-UHFFFAOYSA-N 418.541 5.574 0 40 HKAB Clc1ccc(Oc2nnc(-c3cccc4ccccc34)c3ccccc23)c(Cl)c1 2679704 RRCJBQKPDJLSMR-UHFFFAOYSA-N 417.295 7.549 0 40 HKAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc2ccccc12 2751678 DEORWPWBLRHRBF-NTCAYCPXSA-N 407.535 6.027 0 40 HKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)c(C)c1 2887577 HPCJCUXYGHXZJT-UHFFFAOYSA-N 420.365 5.708 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3c(Cl)cccc23)cc1C 3017056 YMWXHRCQFFZUAO-UHFFFAOYSA-N 414.936 7.041 0 40 HKAB O=C(OCc1ccc(Cl)cc1Cl)c1cc(-c2cccs2)nc2ccccc12 3317879 NRMQZKAVQAJXIS-UHFFFAOYSA-N 414.313 6.627 0 40 HKAB S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccccc2Cl)CC1 3325901 KQWNVDUJOVTHMA-UHFFFAOYSA-N 423.969 5.651 0 40 HKAB O=c1[nH]c(CN2CC=C(c3ccccc3)CC2)nc2scc(-c3cccs3)c12 3370259 NNRSSACEKGSSAW-UHFFFAOYSA-N 405.548 5.002 0 40 HKAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl 3458556 HEJKPOMJAWUCDO-UHFFFAOYSA-N 423.079 5.104 0 40 HKAB Cc1cc(C)c2sc(N3CCN(c4nc5cc(C)cc(C)c5s4)CC3)nc2c1 4137887 BNDLMJBSFJZCTP-UHFFFAOYSA-N 408.596 5.466 0 40 HKAB O=C(CCCCCC1CCCCC1)OCCOC(=O)CCCCCC1CCCCC1 4410834 ZQKCXTVNUJBLNZ-UHFFFAOYSA-N 422.650 7.134 0 40 HKAB O=C(NCc1ccncc1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@@H](c1ccccc1)N2 4450203 JSCCSZCZIMJDCI-MBCOQLRTSA-N 409.533 5.308 0 40 HKAB CC(C)[C@@H](C)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 4536083 SGNBVLSWZMBQTH-SNCZQAQVSA-N 400.691 7.635 0 40 HKAB CCc1ccc(NC2=C[C@@H](c3cccc(F)c3)N(c3ccc(CC)cc3)C2=O)cc1 4628769 GIDHYGJUWAHQPM-VWLOTQADSA-N 400.497 6.034 0 40 HKAB O=C(C1CC1)N1c2ncnn2[C@H](c2ccccc2Cl)C[C@H]1c1ccc(Cl)cc1 4816855 TWVWGGQUOKWNDB-OALUTQOASA-N 413.308 5.062 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2cc1Cc1ccccc1 4848621 YFBCUMPSEZRDFD-UHFFFAOYSA-N 412.558 6.173 0 40 HKAB Fc1ccc(-n2nc(-c3ccccc3)c3cnc4c(Cl)cc(Cl)cc4c32)cc1 4970012 WQTUEHQAUPMRDS-UHFFFAOYSA-N 408.263 6.687 0 40 HKAB CCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccc(Cl)cc1 5309073 BWSKVSUTEAHAJX-UHFFFAOYSA-N 410.930 5.383 0 40 HKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)cc1 5614620 HGIHCPXDTWYXRJ-UHFFFAOYSA-N 417.593 7.321 0 40 HKAB Cc1ccc(C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)cc1 5745386 PBVHQQMSZXLLDR-PHWXZADTSA-N 406.529 6.432 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 6201328 KAIWWCWUXHIOKD-CXUHLZMHSA-N 409.485 6.235 0 40 HKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(-c2ccccc2)cc1 6341132 ACKIVICASULGEX-UHFFFAOYSA-N 406.510 6.883 0 40 HKAB CCCCOc1ccc(C2=NNC(c3cccnc3)=Nc3c2ccc2ccccc32)cc1 6480993 PXQCXEYNDPTILK-UHFFFAOYSA-N 420.516 5.848 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1Br 6570223 RFZAUIGETSTTSI-UHFFFAOYSA-N 403.320 5.090 0 40 HKAB Cc1ccc(COc2ccc(Br)cc2C(=S)N2CCCCC2)cc1 6845244 HWOYIPCVYWMRDV-UHFFFAOYSA-N 404.373 5.498 0 40 HKAB CCc1nnc(S/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)O)o1 7508618 WOWZOTDNPCGGMB-BOPFTXTBSA-N 416.886 5.082 0 40 HKAB CCOc1cc(CNC2CC2)cc(Br)c1OCc1ccccc1Cl 8254097 ANLCHUZKLAWQNV-UHFFFAOYSA-N 410.739 5.332 0 40 HKAB COc1ccc(C(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)cc1 8614131 RNYPVJCESUONBI-UHFFFAOYSA-N 420.534 5.243 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c(C)c1 9056991 OTUFHTZFRVIFHA-UHFFFAOYSA-N 421.327 7.078 0 40 HKAB Cc1ccc2cc(CN(C(=O)c3ccccc3C)c3cccc(C)c3C)c(=O)[nH]c2c1 9462220 MPUXDFDNQABMHZ-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB CCC[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1ccccc1 9530555 GXLDTVIDFYRCTI-QFIPXVFZSA-N 401.510 5.008 0 40 HKAB CCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4ccccc4OC)c3c2c1 9675929 HCNIQUMHINACIJ-UHFFFAOYSA-N 423.472 5.426 0 40 HKAB CCOc1ccc([C@@H]2Oc3c(OCC)cccc3[C@H]3CC(c4cccs4)=NN23)cc1 12196443 KAGQOPCFJSHNBV-YKSBVNFPSA-N 420.534 5.788 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 12890149 WZEMAOGDJKAGCX-DBZAVIBRSA-N 413.481 5.083 0 40 HKAB C[C@H]1CC2(CCCCC2)N2C(=O)[C@]3(NCCc4c3[nH]c3ccccc43)c3cccc1c32 14162426 QGTXVWQWWVHIBP-SOKVYYICSA-N 411.549 5.114 0 40 HKAB Cc1ccc(CCC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1 14903356 YADGJHWJYICQIK-UHFFFAOYSA-N 409.533 5.156 0 40 HKAB Cc1ccc2[nH]c(C(=O)N3CCC(CCC(=O)Nc4ccccc4)CC3)c(C)c2c1 14965582 SYEDVGHRGNXJJA-UHFFFAOYSA-N 403.526 5.056 0 40 HKAB Brc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)o1 15016187 FNXJOKNQOLXZFP-FZKQIMNGSA-N 401.285 5.346 0 40 HKAB Cc1ccc(-c2ccnc(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1C 15829379 RHKXVHOYVFVDBN-UHFFFAOYSA-N 417.456 5.510 0 40 HKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(CN2CCCCC2)cc1 17087487 QJDZZUTVZNRYHR-UHFFFAOYSA-N 406.570 5.738 0 40 HKAB Cc1ccc(Cn2nc(C)c(CN[C@H](C)c3ccccc3Br)c2C)cc1 17312652 KAORORFFCCHPNJ-MRXNPFEDSA-N 412.375 5.470 0 40 HKAB Cc1nc([C@H](Cc2ccsc2)NCc2ccc(N3CCCC3=O)cc2)sc1C 19559879 QMVPGGXWAZSFOV-FQEVSTJZSA-N 411.596 5.022 0 40 HKAB Cc1cc(C)n(Cc2c(C(=O)Nc3ccccc3Oc3ccc(F)cc3)noc2C)n1 19574367 QMWBLJDYJBAFFB-UHFFFAOYSA-N 420.444 5.028 0 40 HKAB Cc1ccc(SCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 20492042 ABTKICPVKGSQPM-UHFFFAOYSA-N 423.603 5.688 0 40 HKAB FC(F)(F)c1nc(Sc2nnc3sc4ccccc4n23)c2ccccc2n1 25249305 FPQHVQRYOQPTTG-UHFFFAOYSA-N 403.414 5.057 0 40 HKAB CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)N[C@H](C)c1ccc(F)cc1F 32932185 WWHFPNIWYXHWTH-LLVKDONJSA-N 417.456 5.082 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1C 33797293 XRFPRSPKJZAAIY-UHFFFAOYSA-N 403.865 5.983 0 40 HKAB CC(C)c1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c3c2CCCC3)cc1 35324679 HGRWUEATAPTDEI-UHFFFAOYSA-N 401.941 6.719 0 40 HKAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)CSc3ccc(F)cc3)ccc1O2 38708574 AYPSVJHFQLDUGY-UHFFFAOYSA-N 422.481 5.247 0 40 HKAB COc1ccc(-c2nnc(NC(=O)c3sc4cc(C)ccc4c3Cl)s2)cc1 39759123 IFVRQWKVYGRKJK-UHFFFAOYSA-N 415.927 5.643 0 40 HKAB CCOc1ccccc1CN(CCCn1ccnc1)C(=O)Nc1ccc(SC)cc1 40104223 YSTQKVQFPGMJPZ-UHFFFAOYSA-N 424.570 5.128 0 40 HKAB Cc1cccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(C)c(C)c3)n2)c1 46012085 OAWZAWRLSLPRNW-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2ccc(Cl)s2)cc1 48367940 TYADVHUYUGDSTK-UHFFFAOYSA-N 400.931 5.089 0 40 HKAB COc1ccc(CN2Cc3c(sc(C)c3C)N(C(=O)c3ccc(OC)cc3)C2)cc1 54350459 YDSXIMDLNNECJZ-UHFFFAOYSA-N 422.550 5.002 0 40 HKAB COc1ccc(C2=N[C@H](c3ccc4c(c3)OCO4)N=C(c3ccccc3)S2)cc1 59488724 QGJBOVACUGPADP-OAQYLSRUSA-N 402.475 5.063 0 40 HKAB COCc1cc(C)nc(N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C#N 95471157 APGHDAMMUJQFAQ-LGJNPRDNSA-N 408.546 5.155 0 40 HKAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O 96589833 SDMJLNKNFXHQRB-AZUAARDMSA-N 400.478 5.027 0 40 HKAB CCOc1cc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc(Cl)c1O 96767660 QGUODVMOZAQUJJ-LCYFTJDESA-N 403.887 5.459 0 40 HKAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)C3CCCC3)CC2)on1 100743887 VPUKUULOWNCTDL-HDICACEKSA-N 424.589 5.318 0 40 HKAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N(Cc1ccccc1)c1nc2ccc(Cl)cc2s1 102337461 DLQNLWGBLWFYTE-BZSNNMDCSA-N 410.970 6.309 0 40 HKAB CCOc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=Nc2ccccc2N1C(C)=O 102928827 XQYBKKVAPPZAED-XMMPIXPASA-N 404.510 5.898 0 40 HKAB COc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1ccccc1Cl 107027617 OJJRHBGPZXTAMR-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 216269371 QQRHDJKCCGRAAK-RUZDIDTESA-N 419.590 6.505 0 40 HKAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222756645 QBGYVSSCXDRNEA-ZWKOTPCHSA-N 401.944 5.082 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 222932819 ZKNQWSJAFPOFFL-XMMPIXPASA-N 415.533 6.011 0 40 HKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 222962910 GQIYGLQEBSSFPK-BTUURDQESA-N 417.593 6.567 0 40 HKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc5ccccc45)ccc32)c1 223082743 DHVHIASMELLEMW-UHFFFAOYSA-N 420.512 5.994 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccccc1C 224376012 BTOAELUNRQXMDT-UHFFFAOYSA-N 418.493 5.183 0 40 HKAB CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccc(OC)cc1 224595937 QKDBWRXQHZLDJB-UHFFFAOYSA-N 409.526 5.293 0 40 HKAB Cc1cc(NC(=S)NCCCSC2CCCCC2)ccc1Br 225590413 PLTGBGFJALHVRH-UHFFFAOYSA-N 401.439 5.500 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1O[C@@H](C)CC 225675636 GYTXIJSXROIBKD-SFHVURJKSA-N 409.526 5.491 0 40 HKAB CCOc1ccc(C2(NC(=S)Nc3cccc(Br)c3)CCCC2)cc1 225845596 YRYQIUGLGWXJGE-UHFFFAOYSA-N 419.388 5.604 0 40 HKAB S=C(Nc1ccc(CSc2ccccc2)cc1)NC1(c2ccccc2)CCCC1 225855478 WSRNBWMSDNWTSS-UHFFFAOYSA-N 418.631 6.735 0 40 HKAB C[Si](C)(C)[Sn]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C 227402992 PVBSPOIZWKUWLJ-UHFFFAOYSA-N 411.475 5.102 0 40 HKAB COc1ccc(C(=O)c2sc3nc(C(F)(F)F)c4c(c3c2N)CCCC4)cc1F 257173232 HEYOYMQEKISEEE-UHFFFAOYSA-N 424.419 5.155 0 40 HKAB CC1(C)Oc2ccc(OCc3ccccc3)cc2[C@H]2O[C@@H](c3ccccc3)CC[C@@H]21 257207899 BJVLKPMPONDABQ-BFLUCZKCSA-N 400.518 6.646 0 40 HKAB CC(C)c1nc(Cc2ccc(F)cc2Cl)c(C(=O)O)cc1-c1ccccc1F 257319577 VTCBKDOBQXAWPF-UHFFFAOYSA-N 401.840 6.093 0 40 HKAB COC(=O)c1cccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1C 408544408 IMUBBOVTIBVJSZ-UHFFFAOYSA-N 405.519 5.635 0 40 HKAB COc1cc(C(=S)NCc2ccco2)ccc1OCc1ccc(Cl)c(Cl)c1 408575383 OCKLHGBSHBEFQW-UHFFFAOYSA-N 422.333 5.639 0 40 HKAB Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1C 408971935 MHVKXOMGSBBLEQ-UHFFFAOYSA-N 405.325 5.101 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc3c4c(cccc14)CC3)N2 408994757 IPQDLLTVOSEUJY-FQLPYIGMSA-N 417.508 6.108 0 40 HKAB CC1(C)OC(=O)C([C@@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)C(=O)O1 409114918 DXTQZDKRLOPYLE-KRWDZBQOSA-N 418.276 5.059 0 40 HKAB COc1c(Cl)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1Cl 409132194 LSEDBTDNNUEPJP-SFQUDFHCSA-N 422.333 5.671 0 40 HKAB O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1cccc(Br)c1 409175226 ZBWMKZZRBLGRNT-YMZVDNRMSA-N 400.297 5.242 0 40 HKAB O=C1S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1c1cccc(Cl)c1 409214282 XFALDJHKVKEAJR-FYJGNVAPSA-N 421.905 6.160 0 40 HKAB CC(C)CCOc1cccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c1 722577 QKCVSYCOIPLSDX-UHFFFAOYSA-N 401.466 5.567 0 40 HKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)Nc1ccc(F)cc1 877997 LAYOWEWRYXVIOR-UHFFFAOYSA-N 423.900 5.820 0 40 HKAB Cc1cc(C(=O)CSc2nnc3sc4ccccc4n23)c(C)n1C1CCCCC1 952422 TXDDPEJQXRMBKU-UHFFFAOYSA-N 424.595 5.843 0 40 HKAB CCN(CC)CCOc1ccc([C@](O)(Cc2ccc(Cl)cc2)c2ccccc2)cc1 1680920 JGLROVOJKXIJKB-SANMLTNESA-N 423.984 5.539 0 40 HKAB biogenic,in-vitro CC(C)(C)[C@H]1CCc2c(sc3nnn(Cc4ccc(Cl)cc4Cl)c(=O)c23)C1 1784996 AUEAEKLDDGBVPG-LBPRGKRZSA-N 422.381 5.359 0 40 HKAB Cc1ccccc1C(=O)N[C@@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl 2054234 BNODRWWUMOEJBW-LJQANCHMSA-N 407.728 5.686 0 40 HKAB CCOc1ccccc1Oc1coc2cc(OCc3ccc(OC)cc3)ccc2c1=O 2210467 BNTMYUPSPMIHSS-UHFFFAOYSA-N 418.445 5.572 0 40 HKAB Cc1oc2cc(OCc3ccccc3Cl)ccc2c(=O)c1-c1ccc(Cl)cc1 2405677 YYNADNPMTLTTOC-UHFFFAOYSA-N 411.284 6.654 0 40 HKAB biogenic CCOc1ccccc1C(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C(C)(C)C)C2 2737848 YDJXDMOYXWPVGP-AWEZNQCLSA-N 415.555 5.337 0 40 HKAB CCN(CC)c1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)cc1 2741395 UJHLKFUYGLXAHJ-UHFFFAOYSA-N 423.560 6.617 0 40 HKAB CCOC(=O)c1csc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)n1 3226334 JFUSIZMJCKUBQI-UHFFFAOYSA-N 417.490 5.096 0 40 HKAB CCOC(=O)c1c(NC(=O)CSCc2ccc(Cl)cc2)sc2c1CCCC2 3267862 WOPLOSUGESECMA-UHFFFAOYSA-N 423.987 5.329 0 40 HKAB Brc1ccc(Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 3315161 GAIQABUSOTWORT-UHFFFAOYSA-N 407.336 6.983 0 40 HKAB Cc1sc2nc(CSc3ccc(Cl)cc3)nc(N3CCCCCC3)c2c1C 3356704 NGLYBADCZHCBHR-UHFFFAOYSA-N 418.031 6.634 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)COc2ccc(Cl)cc2)c2ccccc2)c1 3378252 PWBOOQRGKLAZEX-HSZRJFAPSA-N 423.896 5.259 0 40 HKAB Cc1nc(SCc2cccc(C(F)(F)F)c2)c2c(-c3cccs3)csc2n1 3428006 BHFWPOACGJENHJ-UHFFFAOYSA-N 422.522 7.039 0 40 HKAB COc1ccc(C2=Nc3ccccc3S[C@@H](c3ccc(Cl)cc3)C2)cc1OC 4184522 WPEGJGKWKSSFRA-HSZRJFAPSA-N 409.938 6.715 0 40 HKAB c1ccc(Nc2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1 4663367 UBKPMQLIMLFRFL-UHFFFAOYSA-N 411.548 7.813 0 40 HKAB Cc1cc2c(c(C(C)(C)C)c1)OC(=O)/C2=C1\C(=O)Oc2c1cc(C)cc2C(C)(C)C 5662594 PCMCFJZDBPZKJG-VXPUYCOJSA-N 404.506 5.647 0 40 HKAB O=C(CCSc1ccc(Cl)cc1)Nc1ccc(Br)c(Cl)c1 6495359 WDBSHMFCQFTXGW-UHFFFAOYSA-N 405.144 5.877 0 40 HKAB Cc1cc(C)c2nc(SCC(=O)c3cc(C)n(-c4nccs4)c3C)cc(C)c2c1 6586918 AOIDCVDBXPJNBQ-UHFFFAOYSA-N 421.591 5.999 0 40 HKAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2c(C)cccc2C(C)C)s1 6788639 QVAVEDPEWAHZJE-UHFFFAOYSA-N 412.584 5.753 0 40 HKAB CCOC(=O)c1c(NC(=O)Cc2coc3cc(C)cc(C)c23)sc2c1CCCC2 6809832 ZAZXBZTZPVVERZ-UHFFFAOYSA-N 411.523 5.348 0 40 HKAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Oc2ccc(-c3ccccc3)cc2)CC1=O 7929290 PEUOOKAQFDHGLI-IBGZPJMESA-N 405.881 5.274 0 40 HKAB COc1ccc(NC(C)=O)cc1Nc1ncnc2scc(-c3ccc(F)cc3)c12 7984062 PKHGWMLPTOMVJN-UHFFFAOYSA-N 408.458 5.208 0 40 HKAB Cc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccc(Br)cc3)C2)cc1 8769709 NJIHLADVCCHZFB-JOCHJYFZSA-N 419.322 5.749 0 40 HKAB C[C@H]1CCc2sc(-c3nnc(S[C@@H](C)c4nnc(-c5ccccc5)o4)o3)cc2C1 9256809 YALDDZCJHVZPQO-STQMWFEESA-N 424.551 5.826 0 40 HKAB O=C(CCCSCc1ccccc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 10616633 SAFAPWBGXYLEOT-UHFFFAOYSA-N 412.536 5.191 0 40 HKAB CCOC(=O)c1c(NC(=O)c2sc3nc(C)cc(C)c3c2C)sc(C)c1C 12249703 NLKMFYQUWKPRBB-UHFFFAOYSA-N 402.541 5.329 0 40 HKAB Cc1ccc(-c2noc(COc3ccc(C(C)(C)C)cc3Br)n2)cc1 12653929 IFHHVRSJSPSDLS-UHFFFAOYSA-N 401.304 5.684 0 40 HKAB COc1ccc(-c2nn(CN3CCC[C@@H]3c3ccccc3)c(=S)n2C(C)C)cc1 12935785 XQMISDZFAMAGDC-OAQYLSRUSA-N 408.571 5.465 0 40 HKAB O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)Nc1ccccc1-c1ccccc1 13100960 LANXWYSERMJKSP-UHFFFAOYSA-N 424.287 5.009 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1OCc1ccccc1 13687094 YULXKQWVQQUGDJ-UHFFFAOYSA-N 409.485 6.097 0 40 HKAB CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)c1 13946181 WVHYBKOABCUBBT-UHFFFAOYSA-N 400.478 6.234 0 40 HKAB CC1CCN([C@@H](CNC(=O)c2sc3ccccc3c2Cl)c2ccco2)CC1 15860067 OTEVTTPPOYRCHG-INIZCTEOSA-N 402.947 5.351 0 40 HKAB Fc1ccc(COc2ccc3ccccc3c2CNCc2ccccc2Cl)cc1 16525995 MWFBRYZIUJIHIS-UHFFFAOYSA-N 405.900 6.501 0 40 HKAB O=C(NC(=S)Nc1nc(-c2cccc3ccccc23)cs1)c1cccc(F)c1 17087708 PHKXSJTWZGHZAA-UHFFFAOYSA-N 407.495 5.229 0 40 HKAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 17088344 SBNMJEZPFUMHCL-QGZVFWFLSA-N 409.599 5.490 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 17093384 SCMIGSSAGKQJKZ-UHFFFAOYSA-N 422.937 6.413 0 40 HKAB c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCN(Cc4ccncc4)C3)n2)cc1 19373150 JYWGJMUIFKBZSO-JOCHJYFZSA-N 422.536 5.057 0 40 HKAB COc1ccccc1CC(=O)N1CCC[C@H]1c1cc(-c2ccc(F)cc2)cc(C)n1 19691477 APBPFTXHDFXMEJ-QHCPKHFHSA-N 404.485 5.111 0 40 HKAB O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1nc(-c2ccccc2)cs1 19816310 UKCGNYBNUHZWIO-UHFFFAOYSA-N 424.913 5.475 0 40 HKAB COc1ccc(-n2nc(Nc3ccc(Cl)c(Cl)c3)c3c2CCCC3=O)cc1 20796818 CTHXOPYJWHUVNN-UHFFFAOYSA-N 402.281 5.450 0 40 HKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2c(C)cccc2C)CC1=O 21524531 KEVNPQPJLRDGTF-NRFANRHFSA-N 419.569 5.238 0 40 HKAB O=C(c1cccc(OCc2ccccc2Cl)c1)N1CCN(c2ccccc2F)CC1 22258541 CZXBKBOBIHLTMB-UHFFFAOYSA-N 424.903 5.021 0 40 HKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1cc(F)cc2cccnc12 25931892 DJZJRRKRZXITCX-UHFFFAOYSA-N 406.288 5.141 0 40 HKAB C[C@]12CC[C@@H]3[C@H]4CCC(=O)C(O)=C4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1 26892649 KHKDIUPVDIEHAH-KXLSUQFWSA-N 414.586 5.896 0 40 HKAB in-man COC(=O)c1c(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)sc2c1CCC2 30952970 GHABXFGPMPHYBA-UHFFFAOYSA-N 403.931 5.127 0 40 HKAB CC1CCN(C(=S)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)CC1 33737669 RBHMSAASLGJEMP-UHFFFAOYSA-N 416.554 5.049 0 40 HKAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc3c(c(-c4cccnc4)c12)CCCC3 35325940 RMGCVIOMGYEWHE-UHFFFAOYSA-N 419.937 5.704 0 40 HKAB O=C(O)[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 35529434 JEEBFSSXASHKSF-ZEQRLZLVSA-N 413.473 5.226 0 40 HKAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1 38753708 CCFUNSNZTDYTNJ-LJQANCHMSA-N 416.370 5.209 0 40 HKAB Cc1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1NC(=O)c1ccccc1 40086793 WUJDJEYZAWPSGO-RUZDIDTESA-N 421.500 5.162 0 40 HKAB Cc1nn2c(ncc3c(=O)n([C@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccc(F)cc1 40396948 GJQKMVLZFMXSTE-SIFCLUCFSA-N 404.489 5.156 0 40 HKAB COc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 40485368 WMXWCTSEIBWAOA-JOCHJYFZSA-N 405.881 5.401 0 40 HKAB CSc1ccc(CN2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2cccc(F)c2)cc1 40486031 WIJPPYFHDVUFGJ-HSZRJFAPSA-N 419.521 5.909 0 40 HKAB C[C@@H]1CCCCN1C(=O)Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 41127167 KGRQQLKZHAUNOD-CYBMUJFWSA-N 403.309 5.745 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46079004 LDNFCYCHHTWTDL-UHFFFAOYSA-N 418.468 5.070 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1scc(-c2ccc(F)cc2)c1-n1cccc1 67245145 QRBYWTGZSPANFK-UHFFFAOYSA-N 410.901 6.559 0 40 HKAB Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ncc(-c3ccccc3)s2)c1 72306015 YEKAFWIOIYJPFA-UHFFFAOYSA-N 414.534 5.748 0 40 HKAB O=C(Cc1cccc2ccccc12)N[C@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200156 AOSQBDLJJOUPQN-VXKWHMMOSA-N 402.494 5.058 0 40 HKAB O=C(Cc1cccc2ccccc12)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200157 AOSQBDLJJOUPQN-FGZHOGPDSA-N 402.494 5.058 0 40 HKAB CC(C)c1sc(Cl)nc1C(=O)N1CCC(c2noc3cc(F)ccc23)CC1 95474976 RCRSDBYRGYMSDL-UHFFFAOYSA-N 407.898 5.220 0 40 HKAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)Nc1nc(-c2ccccn2)cs1 96231643 WDZFZHXUCYXXLI-QGZVFWFLSA-N 422.941 5.473 0 40 HKAB Clc1ccc(-c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C=C(c2ccccc2)N3)cc1 100837524 PNHVHHBMKGFQCA-OAQYLSRUSA-N 419.315 6.308 0 40 HKAB C[C@H]1[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 123212781 INLFWQCRAJUDCR-XJZYBRFWSA-N 400.647 6.823 0 40 HKAB CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2cccc3ccccc23)c2ccccc2O1 222977483 WDDDXSRIPXJXSF-AVRDEDQJSA-N 403.522 5.806 0 40 HKAB CCc1ccc(OCC(=O)N[C@H](C)c2cc(C)c(C)cc2C)c(Br)c1 223450501 OUOKFPULFQXDCG-MRXNPFEDSA-N 404.348 5.193 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1 224523994 QLYYLVRLJBFZHV-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1nnc(SCc2ccccc2)s1 224996320 MPBNJMDFFHQMDP-HNNXBMFYSA-N 421.547 5.390 0 40 HKAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)n1 225286924 FLABKOTVVSQBSI-UHFFFAOYSA-N 407.823 5.473 0 40 HKAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(CSc2ccccc2)cc1 225728242 QABAJQZWGUEJIJ-UHFFFAOYSA-N 419.955 5.442 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c2ccccc12 225751746 WSTWUPUDCJPRKT-UHFFFAOYSA-N 421.968 7.123 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c2ccccc12 225751816 BXPFGWIYMUMWIV-UHFFFAOYSA-N 421.968 6.979 0 40 HKAB O[C@@H]1CCCC[C@@H]1N(Cc1ccccc1)Cc1cn(Cc2ccccc2)c2ccccc12 226644153 TYXBYAIWRNBADF-URLMMPGGSA-N 424.588 5.995 0 40 HKAB COc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)cc1 253497881 YIPJBSXSAMSSSQ-VYXGHUMCSA-N 410.598 5.453 0 40 HKAB CCOc1ccc(C(=O)O)cc1-c1cc(-c2cccc(F)c2)n(Cc2ccccc2)n1 257244249 IKMLPNHQJVBBTC-UHFFFAOYSA-N 416.452 5.501 0 40 HKAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)/C=C/c2cc3ccccc3o2)cc1 585091839 ZCHVGCDBGLEADE-CCEZHUSRSA-N 411.457 5.373 0 40 HKAB CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1C1CCCCC1 900802 FGZYMZQHBKAMNQ-UHFFFAOYSA-N 420.582 5.803 0 40 HKAB COc1cc([C@H]2CC(c3cccs3)=Nc3ccccc3S2)cc(OC)c1OC 947294 AMLIAEBWUHGKQL-OAQYLSRUSA-N 411.548 6.132 0 40 HKAB COc1cc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc(OC)c1OC 974463 BOGAAARFKPLVQT-UHFFFAOYSA-N 421.884 5.720 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H](CC(F)(F)F)C(=O)[C@@]4(C)CC[C@@H]32)C1 1677302 ZSYUPDORWXUGGF-XGRVWBTCSA-N 414.508 5.708 0 40 HKAB Cc1cccc(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1C 1837455 QEXNZCVJTSWBIA-UHFFFAOYSA-N 418.924 5.803 0 40 HKAB O=C(/C=C/c1ccc(F)cc1)Nc1nc(-c2ccc(Br)cc2)cs1 1930541 ZFVIKYKNRURUOK-XCVCLJGOSA-N 403.276 5.364 0 40 HKAB Clc1ccc(-n2ncc3c2ncn2nc(-c4ccccc4Cl)nc32)cc1Cl 2408271 GWLWEBQHOUEVRE-UHFFFAOYSA-N 415.671 5.090 0 40 HKAB COc1ccc(CNCC[C@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1 2454009 CLZPICLJLJUYME-AREMUKBSSA-N 407.529 5.933 0 40 HKAB Cc1cc(SCC(=O)Nc2ccc(SC(F)F)cc2)nc(-c2ccccc2)n1 2699686 FDKLSQDPBNGAAI-UHFFFAOYSA-N 417.506 5.498 0 40 HKAB CC(C)c1ccc(C(=O)Nc2ncc(Cc3ccc(SC(F)F)cc3)s2)cc1 3174915 WNSNAOLPZXISCR-UHFFFAOYSA-N 418.534 6.424 0 40 HKAB COc1ccc2nc(NC(=O)COc3cccc(Oc4ccccc4)c3)sc2c1 3229764 FSKIBNPVMHQXTL-UHFFFAOYSA-N 406.463 5.115 0 40 HKAB Cc1cc(C(=O)OCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)c(C)o1 3271003 QDTQGLWXHGSSEX-UHFFFAOYSA-N 406.482 5.238 0 40 HKAB CCCCCCOc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1 4280224 UFLBZDQKNRAOEZ-JOCHJYFZSA-N 423.582 5.077 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)Cc4ccc(Cl)cc4)c3)nc2c1 4776863 ZKQJOYJQEGDJAV-INIZCTEOSA-N 418.924 6.843 0 40 HKAB CCCCCC[C@H](C)CCCCCCCCNCCOC(=O)c1ccc(N)cc1 4825153 JDKRQCLYDUOXNT-QFIPXVFZSA-N 404.639 6.352 0 40 HKAB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)Nc1cccc(NC(C)=O)c1 4849486 UUOAOQRGDGMVSV-UHFFFAOYSA-N 407.539 5.103 0 40 HKAB COc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1OC 5169332 NHGPXQZTIMYJLB-UHFFFAOYSA-N 404.491 5.541 0 40 HKAB CN(C)CCN(C(=O)CCSc1ccc(Cl)cc1)c1nc2ccccc2s1 5239536 SFMXYPKRSKNYIC-UHFFFAOYSA-N 420.003 5.027 0 40 HKAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 5689512 RFDXPRHVPQFYOA-MRXNPFEDSA-N 408.954 5.881 0 40 HKAB O=C(Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CCCCCC1 6234832 HIVDOCNKGSLHSI-UHFFFAOYSA-N 400.486 5.028 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nc2ccccc2n1C)c1ccccc1 6315087 XOGNDMBSFMICLX-QFIPXVFZSA-N 417.534 5.362 0 40 HKAB CS(=O)(=O)Nc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 6485648 VQWCNBHQWWFKLZ-UHFFFAOYSA-N 408.910 5.594 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 6764095 CJXLAZCJVZXDAK-IEGUWTFLSA-N 423.553 5.274 0 40 HKAB CCCN(C(=O)c1ccccc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 6826566 BEMPEFMQWOJWKN-UHFFFAOYSA-N 404.579 6.915 0 40 HKAB COc1cc(SC)ccc1C(=O)N(C1=N[C@@H](C)CS1)c1ccc(Cl)cc1 6847499 INKPXYHOCVYFAH-LBPRGKRZSA-N 406.960 5.209 0 40 HKAB Cc1c(CSc2nnc(C3CC3)n2Cc2ccccc2)noc1-c1ccc(F)cc1 8428698 FBZAZXDPPSJMAQ-UHFFFAOYSA-N 420.513 5.599 0 40 HKAB CC(C)Sc1ccccc1C(=O)NCCSCc1c(Cl)cccc1Cl 8498838 IJIZRGPCXCPSQG-UHFFFAOYSA-N 414.423 6.157 0 40 HKAB COc1ccc(CN(Cc2cccs2)C(=O)/C=C/c2ccc(F)cc2)cc1OC 8762946 OAKBJDQYRXUDBW-XYOKQWHBSA-N 411.498 5.147 0 40 HKAB COc1cc(-c2nc3cc(NC(=O)c4ccccc4C)ccc3o2)cc(OC)c1OC 10120150 NAZFAIGWYBZNHY-UHFFFAOYSA-N 418.449 5.081 0 40 HKAB COc1ccc(/C=C\[C@]23N(Cc4ccccc4)C(=O)CN2c2ccccc2C3(C)C)cc1 12402527 LRFINWKNLJRYBV-SFPUGHMZSA-N 424.544 5.245 0 40 HKAB O=C(CCCSc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccccc1 12820763 QUQFNLDNZDRPOY-UHFFFAOYSA-N 414.534 5.144 0 40 HKAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cc(Cl)c(Cl)cc1Cl 14255076 JQKCEYWWPGEMGF-UHFFFAOYSA-N 405.517 5.754 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1C 14405249 FSBZLFFWRRVYRB-UHFFFAOYSA-N 424.932 5.458 0 40 HKAB Cc1ccc(Cl)cc1-n1ncc2c(N3CCC(Cc4ccccc4)CC3)ncnc21 15827446 OEMNRPVGNIBAEF-UHFFFAOYSA-N 417.944 5.236 0 40 HKAB Cc1cc(O[C@H](C)C(=O)NCc2csc(-c3ccccc3)n2)cc(C)c1Cl 15832362 YTVABMOMVUWKDA-OAHLLOKOSA-N 400.931 5.164 0 40 HKAB O=C1S/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)N1c1ccccc1 15938391 SFMGKYUQWOKJDC-QPEQYQDCSA-N 410.676 5.049 0 40 HKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1cc(C(F)(F)F)ccc1Cl 17089042 DVNIQUBZYXTFAT-UHFFFAOYSA-N 411.851 6.424 0 40 HKAB Cc1cccc2c1NC(C)(C)c1ss/c(=N\c3ccc(Cl)c(Cl)c3)c1-2 18086335 OTKHZKDJRAUPGB-PYCFMQQDSA-N 407.391 6.985 0 40 HKAB CCC(C)(C)n1nnnc1[C@H](C(C)C)N(CCc1ccccc1)Cc1cccs1 20098717 ANLWGUIYOJJBRT-NRFANRHFSA-N 411.619 5.322 0 40 HKAB O=C(CCc1ccccc1)N[C@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20521994 UKIGXRAROZAOAJ-JOCHJYFZSA-N 417.896 5.228 0 40 HKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccc(CC)cc2)CC1=O 21524561 XZWNGHUQDQEOFA-NRFANRHFSA-N 419.569 5.184 0 40 HKAB CC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1cc(C)ccc1C(C)C 21787546 LVLVDUDRGAHMHA-XMMPIXPASA-N 419.569 5.621 0 40 HKAB O=C(c1ccc(NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)nc1)N1CCCC1 32828975 KSJJVIMANCSUOP-QFIPXVFZSA-N 410.521 5.043 0 40 HKAB O=C(Nc1ccccc1SC1CCCC1)N1CCC[C@H](c2nnc3ccccn23)C1 40104988 GUDDOMAGOMDPCP-KRWDZBQOSA-N 421.570 5.176 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cccc4C)nccn3n2)cc1C 67289826 OAYNOTIWGICFAE-UHFFFAOYSA-N 416.550 5.361 0 40 HKAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccco2)c1 71844325 FFJNGOJEPWDFGU-FCHUYYIVSA-N 402.494 5.330 0 40 HKAB CCOc1ccc(-c2[nH]ncc2C(=O)NCc2cccc(C(F)(F)F)c2)cc1Cl 72329334 WDDZZKNKADQIPJ-UHFFFAOYSA-N 423.822 5.078 0 40 HKAB Cc1cccc(Nc2cccc([C@H]3CCCN3C(=O)c3cc4ccc(F)cc4[nH]3)n2)n1 72375494 OYJFNIJJMYWTNC-OAQYLSRUSA-N 415.472 5.126 0 40 HKAB O=C1c2ccccc2/C(=C2/c3ccccc3C(=O)N2c2ccccc2)N1c1ccccc1 101023898 YMRYTULMFYGGHB-OCEACIFDSA-N 414.464 5.833 0 40 HKAB CCCCn1nc(C)c2c(C(=O)N[C@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)c(Cl)c(C)nc21 101568512 RCAGSOYIKVEZOW-BASLNEPJSA-N 402.970 5.056 0 40 HKAB Cc1ccccc1[C@@H]1C2=C(O)c3ccccc3C2=Nc2nn(-c3ccccc3)c(O)c21 101642958 SCRQQRSKVQSOIV-HXUWFJFHSA-N 405.457 5.435 0 40 HKAB aggregator O=C(NCc1ccccc1Cl)C1CCN(Cc2c(Cl)cccc2Cl)CC1 113952285 DWYCITAJDWORRK-UHFFFAOYSA-N 411.760 5.175 0 40 HKAB CC1CCN(Cc2cccc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)c2)CC1 141584217 BGNBXOITJDKOCG-UHFFFAOYSA-N 409.917 5.479 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 222686806 ZZDKHDQXAFNYQC-UHFFFAOYSA-N 409.382 5.215 0 40 HKAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222801387 OWEIMURTPBYQLS-RTBURBONSA-N 415.971 5.472 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 223021185 OGXOETMMFFJXET-OAQYLSRUSA-N 414.933 5.071 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1cccc(Cl)c1 224146691 ZSQYQGYNPVDUCN-UHFFFAOYSA-N 420.267 5.972 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C)c1ccc(C)c(C)c1 224167583 XHQUPMRQZKSGMK-VNLJKWRZSA-N 416.521 5.243 0 40 HKAB Cc1nc2ccccn2c1-c1nnc2sc(Cc3ccc(-c4ccccc4)cc3)nn12 227143312 GXMOCHUVPUPFRS-UHFFFAOYSA-N 422.517 5.067 0 40 HKAB CCOc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1 253528861 SDDXAJAVPWQDGV-QODZHVACSA-N 408.626 6.872 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(OCCN3CCCC[C@@H]3C)cc2)CCC[C@H](C)C1 260814536 KIZABORJMJDYAW-STWLZBDKSA-N 416.606 5.254 0 40 HKAB CCCc1sc(NC(=O)c2ccc(OC)cc2)nc1-c1ccc(OC)c(OC)c1 408824558 QZBFUADPEFBTDJ-UHFFFAOYSA-N 412.511 5.041 0 40 HKAB CCc1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)sc2CC(=O)O)cc1 408893169 CWFAZFUPJCREJG-UHFFFAOYSA-N 407.322 6.050 0 40 HKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(F)c(Cl)c2)C1 585262212 AYZICAUJZUABFG-VWPQPMDRSA-N 423.887 5.122 0 40 HKAB Cc1cccc(OCc2nc(-c3ccc(Cl)cc3OC(C)C)ccc2C(=O)O)c1 585265852 SPLUQXWZENPBHO-UHFFFAOYSA-N 411.885 5.775 0 40 HKAB Cc1ncsc1CN1CCC2(CC1)CO[C@@H](c1cccc(Cl)c1)[C@H](C(C)C)C2 1615528108 NDICIYGPVLGTLR-UNMCSNQZSA-N 419.034 6.121 0 40 HKAB CCC(=O)Nc1ccc(NCc2ccc(OCc3ccccc3C)c(OC)c2)cc1 624319 RURTXZWHAKHAIQ-UHFFFAOYSA-N 404.510 5.543 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1Br 674435 BIBGSYYCEWRLLP-UHFFFAOYSA-N 412.283 5.567 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 702510 JYEWXDUSNLWGGL-CQSZACIVSA-N 413.470 5.137 0 40 HKAB CC1(C)SC(=S)N(c2ccccc2)[C@H]1N(O)C(=O)Nc1ccc(Cl)cc1 850726 CCUNMQIPDIGFLY-HNNXBMFYSA-N 407.948 5.206 0 40 HKAB COC(=O)c1ccccc1NC(=O)c1ccc(OCc2c(F)cccc2Cl)cc1 1088425 DTKSKWLINQGWDL-UHFFFAOYSA-N 413.832 5.097 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3cccc(Cl)c3)C3CCCC3)cc2c1 1327101 TWQKVOQEMKEZIF-UHFFFAOYSA-N 423.944 5.721 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OCC 1794295 LJFWNLOIAKYPEK-UHFFFAOYSA-N 423.896 5.621 0 40 HKAB CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 2052135 NYINVLXGVKTHNI-UHFFFAOYSA-N 401.919 5.542 0 40 HKAB Cc1ccc(C(=O)Nc2c(-c3ccc(C)cc3)c(=O)c(C)nn2-c2ccc(C)cc2)cc1 2241322 PFVJVHQBNJGCFN-UHFFFAOYSA-N 423.516 5.385 0 40 HKAB Clc1ccc(-c2csc3ncnc(SCc4ccccc4Cl)c23)cc1 2265857 JLJYIXOWMIKTJF-UHFFFAOYSA-N 403.359 6.957 0 40 HKAB O=C(Nc1nc2ccc(Br)cc2s1)c1sc2ccccc2c1Cl 2757183 YKTBUMRUZKBQDD-UHFFFAOYSA-N 423.744 6.179 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1 3292180 GPQIDTLVMKBCRV-SFHVURJKSA-N 403.478 5.788 0 40 HKAB Cc1ccc(-n2c(SC[C@H]3CC3(Cl)Cl)nnc2-c2ccccc2)cc1C 3354003 MYFYPWDUWIDOCP-MRXNPFEDSA-N 404.366 5.837 0 40 HKAB Cc1ccc(C)c(OCc2nnc(SCC(=O)c3c(C)[nH]c4ccccc34)o2)c1 3358191 UREOGYQCPDZMRG-UHFFFAOYSA-N 407.495 5.030 0 40 HKAB CCN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](C)C(=O)Nc1ccc(C)cc1 3410223 YKHOIZZKAOVKHR-HXUWFJFHSA-N 400.522 5.003 0 40 HKAB CCOC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 3658691 HWFOTRLMUNPFFX-HNNXBMFYSA-N 421.497 5.270 0 40 HKAB Cc1nn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc2c1-c1ccc(Cl)cc1 3765215 SVRFANMRJWZATP-UHFFFAOYSA-N 405.782 6.183 0 40 HKAB Cc1ccccc1NC1(c2nnnn2-c2c(C)cccc2C)CCC(C(C)(C)C)CC1 4043050 ULINNTDALKQOJP-UHFFFAOYSA-N 417.601 6.131 0 40 HKAB Cc1ccccc1Cn1cc(SCC(=O)Nc2cccc(C)c2C)c2ccccc21 4059701 PSLSOJVUMKIBKH-UHFFFAOYSA-N 414.574 6.346 0 40 HKAB CC(=O)N(Cc1ccc(OC(C)C)cc1)C(=O)CC[C@]1(C(C)C)CCOC(C)(C)C1 4061932 OOCULLNXUYYSNQ-VWLOTQADSA-N 417.590 5.361 0 40 HKAB biogenic O=C(CSCc1ccccc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 4087642 PHHXOONSKJARGZ-UHFFFAOYSA-N 415.971 5.144 0 40 HKAB O=c1c2ccccc2nc2n1N1[C@@H](c3ccccc3)[C@H]1C[C@@H]2CC/C=C/c1ccccc1 4114509 MESUIWVVIPCEAW-ZAFKTEKGSA-N 419.528 5.439 0 40 HKAB CCN(CC)c1ccc2c(Oc3ccc(OCc4ccccc4)cc3)cc(=O)oc2c1 4124423 UHHUZJCVPLCOJR-UHFFFAOYSA-N 415.489 6.011 0 40 HKAB CCCCCCOc1ccc(C(NC(=O)CCCC)NC(=O)CCCC)cc1OC 4185779 VZCDIGSSMLDOKY-UHFFFAOYSA-N 420.594 5.266 0 40 HKAB COC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(CSc2ccccc2)o1 4540196 FSPHKDGUBDRFMR-UHFFFAOYSA-N 401.871 5.264 0 40 HKAB COc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 4741118 MVFGRZAOZQJTND-UHFFFAOYSA-N 408.473 5.081 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)C[C@@H](C)CC4)cc1 5214463 DDMVUGFGNZXGMM-INIZCTEOSA-N 405.519 5.820 0 40 HKAB Cc1c(CC(=O)NC(C)C)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12 5346480 FHTJMYXHVQIWCO-UHFFFAOYSA-N 409.869 5.235 0 40 HKAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 5370449 WEJBNVCYHSQULQ-UHFFFAOYSA-N 401.510 5.743 0 40 HKAB Clc1ccc(-c2nnc(SC/C=C/c3ccccc3)n2-c2ccccc2)cc1 5477971 VRXOWMKQPQZWEW-JXMROGBWSA-N 403.938 6.393 0 40 HKAB c1ccc(Oc2ccccc2CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 6035563 UJZQHCYHGFLDFX-UHFFFAOYSA-N 404.447 5.550 0 40 HKAB COc1cccc(NC(=O)[C@H](Sc2ncnc3sccc23)c2ccccc2)c1 6115306 MXQUHLKYEFRODI-GOSISDBHSA-N 407.520 5.172 0 40 HKAB CCCCC(=O)NC(=S)Nc1cccc(-c2nc3cc([C@@H](C)CC)ccc3o2)c1 6240662 OMZARZDPASBJHA-HNNXBMFYSA-N 409.555 6.012 0 40 HKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)cc4)cc3n2)cc1 6264762 IGFZOAHSUSRDNY-UHFFFAOYSA-N 414.509 5.332 0 40 HKAB Cc1cccc(C)c1NC(=O)c1nc(SCc2ccc(F)cc2)ncc1Cl 6747994 UQMMYODSGLATOS-UHFFFAOYSA-N 401.894 5.431 0 40 HKAB C[C@@H]1CCc2c(sc3nc([C@@H](C)N(C)Cc4c(F)cccc4Cl)[nH]c(=O)c23)C1 7001403 ZEYACCATCPNICM-VXGBXAGGSA-N 419.953 5.095 0 40 HKAB COc1ccc(NC(=O)[C@@H](Sc2nc(C)cs2)c2ccccc2)cc1Cl 7195520 YJCWQWCKDIVYLH-KRWDZBQOSA-N 404.944 5.586 0 40 HKAB O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cccc(/C=C/c2ccccn2)c1 7717413 SUBWHWBFJSGBKH-ZHACJKMWSA-N 415.493 5.696 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3sc(-c4ccccc4)nc3C)n2)cc1 8061433 BAKPLIJIAOFBRA-UHFFFAOYSA-N 407.520 5.503 0 40 HKAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)c2C)cc1 8405059 NSLQKVXSUYBHIQ-UHFFFAOYSA-N 417.509 5.150 0 40 HKAB COc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)ccc1OCc1ccc(F)cc1 8534517 WTCXPVHEFFZQGX-AEXOJCPESA-N 423.572 6.252 0 40 HKAB O=C(Nc1cc(OCc2ccccc2)c(Cl)cc1Cl)c1ccc(Cl)cc1 8888105 YAFSCBKXPSUPIN-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB Clc1cccc(-c2cnc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)o2)c1 9253392 HZUULFRCZTZYGS-UHFFFAOYSA-N 413.842 5.066 0 40 HKAB COc1cc(Nc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)nc(C)n1 12225784 OWMAWZIVJLLHLE-UHFFFAOYSA-N 417.391 5.200 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 14609739 HLZRDODFRSMCDY-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1cccc(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)c1C 15881558 PTPDJBHMWCZTNK-UHFFFAOYSA-N 402.498 5.145 0 40 HKAB Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc(O)cc(C(F)(F)F)n1 16840791 WWIJQEUYJIOWME-UHFFFAOYSA-N 401.797 5.110 0 40 HKAB CC[C@H](C)c1ccc([C@@H](CC)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 17082311 ZSUHTMILDZBVAM-QXATTWAWSA-N 401.978 6.505 0 40 HKAB O=C(CSc1nc2ccccc2nc1-c1ccccc1)c1ccc2c(c1)OCCO2 19074872 AYLRLKIFOPRRBJ-UHFFFAOYSA-N 414.486 5.043 0 40 HKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1ccccc1C 21005564 YXKJNHOVGMPHKM-XMMPIXPASA-N 409.489 5.334 0 40 HKAB O=C(CNc1ccccc1Cc1ccccc1)Nc1c(Cl)cccc1C(F)(F)F 24041005 YNVUICVLFLORRM-UHFFFAOYSA-N 418.846 6.000 0 40 HKAB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(-c2ccccc2)cc1 27521712 QRXLFXCNWYTRNQ-UHFFFAOYSA-N 422.509 6.588 0 40 HKAB COc1ccc(SCC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1OC 30858628 HWMXKRQFTIZNNP-XMMPIXPASA-N 407.535 5.010 0 40 HKAB O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1sc2ccccc2c1Cl 32094614 DEHLRSDEJPXHCW-UHFFFAOYSA-N 421.865 5.716 0 40 HKAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)c(C)c1 32126676 YHRFKLCFZLYITC-UHFFFAOYSA-N 422.484 6.282 0 40 HKAB O=C(CSc1ccc2ccccc2c1)N1c2ccccc2S[C@@H]2C=CC=C[C@H]21 33586959 JMIYQJXXZKKCMH-IFMALSPDSA-N 401.556 5.934 0 40 HKAB Cc1cc(C)c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C)c1 33785371 BKUIFLSZIKGDSI-UHFFFAOYSA-N 423.390 6.260 0 40 HKAB Cc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(Br)cc2)cc1 35126447 JPBIWOXHPBVEEB-RCCKNPSSSA-N 417.306 5.592 0 40 HKAB CCCCCCOC(=O)C(=Cc1ccc(C(=O)O)cc1)C(=O)OCCCCCC 35585987 AHHOCUSSCMPEBM-UHFFFAOYSA-N 404.503 5.015 0 40 HKAB CNc1nc(SCc2csc(-c3ccc(OC)c(OC)c3)n2)nc2ccccc12 36390996 LLWNMJXGWYAJLF-UHFFFAOYSA-N 424.551 5.105 0 40 HKAB COC(=O)c1ccc(Cn2nc(-c3ccc(C)cc3)c(C)c2-c2ccc(C)cc2)cc1 36611255 ZFXATXLWICUDTB-UHFFFAOYSA-N 410.517 5.977 0 40 HKAB Cc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccc(F)cc1 40396946 GJQKMVLZFMXSTE-QEEYODRMSA-N 404.489 5.156 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1 40942941 XERGRSGGAYFARY-UHFFFAOYSA-N 417.130 5.897 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875358 ZKFGQILUSKIOPO-QFIPXVFZSA-N 417.018 5.513 0 40 HKAB CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(OC(F)F)cc1)NC2 54979034 GJGRKIZTUVNDSX-JOCHJYFZSA-N 414.452 5.069 0 40 HKAB CC[C@@H](NC(=O)NCc1cccc(NC(=O)Nc2cccc(C)c2)c1)c1cccs1 58355663 GBZAAEHEAOENCT-HXUWFJFHSA-N 422.554 5.651 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc1 67245112 XQSXXJYQYJSHCL-UHFFFAOYSA-N 401.491 5.417 0 40 HKAB Cc1cc(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc(-c2cccc(F)c2)n1 67257245 YSKCAXYTRCJLLP-UHFFFAOYSA-N 421.419 5.341 0 40 HKAB Cc1ccc(-c2cc3c4nnc(SCc5ccc(F)cc5F)n4ccn3n2)cc1C 67260659 AFDXQXDEJBEFHK-UHFFFAOYSA-N 421.476 5.231 0 40 HKAB CC(C)C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccc(F)cc2)no1 71195071 WADGZCJAHIEWAF-HXUWFJFHSA-N 409.505 5.690 0 40 HKAB Cc1cccc(S(=O)(=O)N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)c1 72307388 JZUDVXZUMKKEIA-FQEVSTJZSA-N 410.539 5.299 0 40 HKAB CCC(CC)C(=O)N1CCC(Cc2ccc(-c3ccccc3)cc2)(C(=O)N(C)C)CC1 72345186 VXRXGXQVRFHISS-UHFFFAOYSA-N 420.597 5.029 0 40 HKAB COc1cc([C@@H](C)NC(=O)c2cccc(Oc3ccncc3)c2)ccc1OCC(C)C 79034174 WBBKMPLNYWSNLJ-GOSISDBHSA-N 420.509 5.408 0 40 HKAB Cc1cc(SC2CCCCC2)ccc1NC(=O)c1sc(-c2ncccn2)nc1C 84093297 NSTXIRBXIRRNOO-UHFFFAOYSA-N 424.595 5.894 0 40 HKAB Cc1nc(C(C)(C)C)sc1C(=O)Nc1cc(F)ccc1Sc1nccn1C 95957893 IALSPBZKHNWUGP-UHFFFAOYSA-N 404.536 5.025 0 40 HKAB O=C(CCSc1ccccc1)Nc1ccccc1Cc1nc(-c2cccs2)no1 96119755 GNAQTHUOLVFBDG-UHFFFAOYSA-N 421.547 5.510 0 40 HKAB Cc1nc2ccccc2c(NC(=O)CCc2nc(-c3cccs3)no2)c1C(C)C 97104286 UMIDIZDMRSLGRP-UHFFFAOYSA-N 406.511 5.349 0 40 HKAB Cc1ccc2c(c1)-c1c(ss/c1=N/c1ccc(-c3ccccc3)cc1)C(C)(C)N2 100115973 JTLQEUBXYJSTDF-SHHOIMCASA-N 414.599 7.345 0 40 HKAB Fc1ccccc1[C@H]1C=C(c2cccc(Br)c2)Nc2nc3ccccc3n21 101100311 PMHGNAPKDXXCTO-OAQYLSRUSA-N 420.285 5.994 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@H](c4ccc(SC)cc4)C3=C(O)C2)cc1 102566154 AZLNSUWXRNQUEJ-OPAMFIHVSA-N 418.522 5.074 0 40 HKAB COC(=O)c1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 214715822 JZANHFUZDBRWSE-CXUHLZMHSA-N 422.289 5.017 0 40 HKAB Cc1c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n(-c2ccccc2)c1C 222638069 IOCOOTXIXKNTFT-WADWEFIESA-N 402.567 5.387 0 40 HKAB O=C(CSCc1ccccc1F)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 222705317 UFCVNMJQDNMFKZ-UHFFFAOYSA-N 409.570 6.165 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1 224198683 VXEZKNSLHFFMIX-DHIUTWEWSA-N 414.534 5.010 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C)c(C)c3)c2)cc1 224295156 LXOKRFZKWJUANV-UHFFFAOYSA-N 417.549 6.486 0 40 HKAB Cc1cccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@H](C)C(=O)NC2CCCCC2)c1 224722332 GALKWWJCLVUJMV-JOCHJYFZSA-N 420.597 5.021 0 40 HKAB CCc1ccc(CC)c(CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 224851690 ZCMCCJYJZIZNKY-UHFFFAOYSA-N 424.009 6.687 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3c(F)cccc3F)o2)cc1 224918890 XICWZOQKIMDMOA-UHFFFAOYSA-N 420.415 5.938 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)CCCSc3ccc(Cl)cc3)ccc21 225175717 SGRFNTICKKGFTD-UHFFFAOYSA-N 420.987 5.808 0 40 HKAB COc1cc(C)c(C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cc1C(C)C 225654037 HKRREWCRAMSSQL-QFIPXVFZSA-N 407.554 6.084 0 40 HKAB CCO[C@]1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCC[C@@H](C)C1 225716488 BZKKHYFAPQQPEG-PXDATVDWSA-N 416.606 5.255 0 40 HKAB CCOC(=O)c1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1C 225863693 JKOQEVUMQQPWNP-UHFFFAOYSA-N 416.974 5.581 0 40 HKAB Cc1nc(-c2cccc(NC(=O)c3cc4cc5ccccc5nc4s3)c2)cs1 226095835 XQFMFQDISFOZQI-UHFFFAOYSA-N 401.516 6.134 0 40 HKAB C[C@H]1CCCN(c2ccc(N)cc2C(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 226324522 LZAKWOUEBXEOQV-NSHDSACASA-N 412.748 5.718 0 40 HKAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(C(C)(C)CC)cc2)CC1=O 408665189 OODALVHYZAMYRI-HXUWFJFHSA-N 407.554 5.458 0 40 HKAB CC1CCN(C(=S)Oc2cccc(C(=O)Nc3cccc4ccccc34)c2)CC1 408722889 YCVQZZXWGTUFFT-UHFFFAOYSA-N 404.535 5.488 0 40 HKAB CCc1ccccc1NCc1c(OCc2cccc(Cl)c2)ccc2ccccc12 409113032 DFKPKAJCGRTPCL-UHFFFAOYSA-N 401.937 7.247 0 40 HKAB Cc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccccc3)n2C)cc1Cl 409202112 ZRUSUZQCHYYLSL-LCUIJRPUSA-N 418.949 6.124 0 40 HKAB CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccc(Cl)cc1Cl 409339955 NLXFMDXSXZLSFJ-UHFFFAOYSA-N 408.354 5.497 0 40 HKAB CC(C)=CCC[C@]1(C)Oc2cc(-c3cnc(C)nc3O)ccc2[C@@H]2O[C@H](C)CC[C@H]21 585267138 JYASCABSFHIMSF-CGAKAAFGSA-N 408.542 5.911 0 40 HKAB CC(=O)N1CCCCCCCCN(C(=O)COc2ccccc2C)Cc2ccccc21 643569979 WRZJWHPKJBKCII-UHFFFAOYSA-N 422.569 5.110 0 40 HKAB CCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)c(Cl)c1 670417734 WGOJWYZOMYXGEG-UHFFFAOYSA-N 413.304 6.514 0 40 HKAB O=S1(=O)c2ccccc2N[C@@H](c2ccccc2C(F)(F)F)N1Cc1ccccc1 638170 KIRSSMAHGLGJMW-HXUWFJFHSA-N 418.440 5.021 0 40 HKAB Clc1ccc(-n2ncc3c(Nc4ccc(Oc5ccccc5)cc4)ncnc32)cc1 756729 ZGGKAZNVRCPTBD-UHFFFAOYSA-N 413.868 6.005 0 40 HKAB Cc1ccc(NC(=O)c2cc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)n3n2)cc1 848698 CPLVFCRDYYKKJG-UHFFFAOYSA-N 410.399 5.284 0 40 HKAB O=C(CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)c1ccc(Cl)cc1 887588 CYCFNIGBNODHJR-UHFFFAOYSA-N 421.909 5.268 0 40 HKAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccccc1Cl 901747 QPINSOXDFWGOFH-UHFFFAOYSA-N 413.808 5.140 0 40 HKAB COc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)cc1 944535 RJYOVUQIOZBGGK-OAHLLOKOSA-N 421.518 5.520 0 40 HKAB Cc1ccc(-c2nnc(N3CCN(c4ccccc4F)CC3)c3ccccc23)cc1C 1094850 RFKMXRKNPHYQLJ-UHFFFAOYSA-N 412.512 5.379 0 40 HKAB COc1ccc(C(=O)Nc2cc(OCc3ccccc3)c(Cl)cc2Cl)cc1 1392306 YHAKEJQVGNZXFY-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB Cc1c(CNC(=O)c2c(F)cccc2F)c(-n2cccc2)n(Cc2ccccc2)c1C 1398796 HYXYGDUZUHBOEN-UHFFFAOYSA-N 419.475 5.152 0 40 HKAB COc1ccccc1[C@@H](CCN[C@@H](C)c1ccccc1)c1ccc(OC(C)C)cc1 1783187 QMIIQMXGYVQMID-OFVILXPXSA-N 403.566 6.355 0 40 HKAB CC(=O)C1=NN(c2ccc(C)cc2)[C@@H](c2c[nH]c3ccccc23)N1c1ccc(C)cc1 2137788 GIBYQCCPYXZBHY-SANMLTNESA-N 408.505 5.713 0 40 HKAB COc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2Cl)cc1 2255884 OTJDHWCTGVLBTD-UHFFFAOYSA-N 400.869 5.357 0 40 HKAB O=C(Cc1ccc(Br)cc1)Nc1ccc(-c2cn3ccsc3n2)cc1 2645792 DJLAHYGIZRUFQQ-UHFFFAOYSA-N 412.312 5.007 0 40 HKAB O=C(CNc1cccc2ccccc12)Nc1ncc(Cc2ccc(Cl)cc2)s1 2887560 ZWPHPYIIWLMGPC-UHFFFAOYSA-N 407.926 5.591 0 40 HKAB C[C@H](OC(=O)c1cccc2ccccc12)C(=O)Nc1nc(-c2ccccc2)cs1 3247993 ZGWSHNGIZFNTMO-HNNXBMFYSA-N 402.475 5.147 0 40 HKAB COc1ccc(NC(=O)[C@H](OC(=O)c2sccc2C)c2ccccc2)cc1Cl 3314524 IIBOKEYXNPKNRV-GOSISDBHSA-N 415.898 5.255 0 40 HKAB Cc1ccc(N2C(=O)C[C@H](C(=O)NCc3ccc(Cl)cc3)[C@@H]2c2cccs2)cc1 3437984 DJWAHKMPKKTARQ-SIKLNZKXSA-N 424.953 5.121 0 40 HKAB O[C@H](COc1ccc(Cl)cc1Cl)CN(Cc1ccccc1)c1ccccc1 4189809 RHUXYTUJBJXFCS-FQEVSTJZSA-N 402.321 5.440 0 40 HKAB COc1cccc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)c1OC 4536074 QYBVNPQUQLEBTR-UHFFFAOYSA-N 410.517 6.463 0 40 HKAB CCCCCc1ccc(-c2cn3nc(C4CCC(CCCC)CC4)sc3n2)cc1 4739185 YWOYTGCLTBBSHH-UHFFFAOYSA-N 409.643 7.655 0 40 HKAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(F)cc2)n2c(nc3ccccc32)N1 4767884 YVAMIAGACHSJPK-JOCHJYFZSA-N 405.473 5.340 0 40 HKAB Cc1ccc(NC(=O)N(Cc2cc3cc(C)cc(C)c3nc2Cl)C2CCCC2)cc1 4861291 LXTLOVRUWQUGON-UHFFFAOYSA-N 421.972 6.790 0 40 HKAB COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1ccco1)N2Cc1ccccc1 4984375 ZHLJKTQAWJWBRF-TVPUMLRDSA-N 417.505 5.034 0 40 HKAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(OC)cc1 5100299 JOISNPIUMWBLJU-QABMSTFYSA-N 424.481 5.512 0 40 HKAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)c1ccc2c(c1)CCC2 5332586 DLOHDVCYQFZASV-CQSZACIVSA-N 407.514 5.271 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)cc1 5383866 CHVODMGPAXXADC-UHFFFAOYSA-N 418.924 6.622 0 40 HKAB CCOC(=O)COc1c(Cl)cc(/C=C2/Sc3ccccc3C2=O)cc1Cl 6326347 SXQSTSZQWJDJSM-CXUHLZMHSA-N 409.290 5.265 0 40 HKAB Cc1cc(C)c2c(CC(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)coc2c1 6810601 XPTHYMOUYMQARU-UHFFFAOYSA-N 407.897 6.068 0 40 HKAB aggregator CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 7073115 PPBBDQNBEHIEJL-MRXNPFEDSA-N 408.523 5.531 0 40 HKAB O=C(NC1CC1)[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)c1ccccc1 7179866 RDCMVKDQWXYONX-FQEVSTJZSA-N 422.554 5.155 0 40 HKAB Cc1cccc(-c2nnc([C@@H](C)Sc3nnc(-c4cccs4)n3C3CC3)o2)c1 8075537 QEJMPEXMQBIGQG-CYBMUJFWSA-N 409.540 5.553 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](N[C@@H](C)c1ccccc1Cl)c1ccccc1 8173470 POACSMSRDZOQLX-SBUREZEXSA-N 408.929 5.769 0 40 HKAB O=C(Nc1nc2cc(Cl)ccc2s1)c1ccc(-c2ccc(F)c(Cl)c2)o1 8560658 YSIVARAQGYUIME-UHFFFAOYSA-N 407.253 6.255 0 40 HKAB Cc1cccn2c(Nc3cccc(C(F)(F)F)c3)c(-c3cccc4cccnc34)nc12 9308515 MJABBJMFIMJVDA-UHFFFAOYSA-N 418.422 6.620 0 40 HKAB CCOc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 9583713 BYYAZGOMHFLUSN-LJQANCHMSA-N 408.523 5.022 0 40 HKAB Fc1cccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3-c2ccccc2)c1 9622788 UZRBTMIMEOKNPO-UHFFFAOYSA-N 424.483 5.353 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(C)c2)cc1Cl 10119195 QLPCRNAATPXAKJ-UHFFFAOYSA-N 418.880 5.398 0 40 HKAB COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)c3cc(C(C)C)on3)no2)cc1 12185335 WMLWJYJKIXKDAD-FQEVSTJZSA-N 409.486 5.219 0 40 HKAB COc1ccccc1NC(=O)c1ccc(Nc2ccc(C(=O)c3ccccc3)cc2)cc1 12553897 AEDDAGGQALINPB-UHFFFAOYSA-N 422.484 5.922 0 40 HKAB Cc1ccc(OCc2nc(-c3ccc(Br)cc3)no2)c(Br)c1 12655553 YXAAMDHXFRVTDE-UHFFFAOYSA-N 424.092 5.149 0 40 HKAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)Cc1ccc(Cl)c(Cl)c1 12804631 PLIXISMWDOSAGK-UHFFFAOYSA-N 423.321 5.481 0 40 HKAB C[C@@H]1CCc2c(sc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)c2C(N)=O)C1 12857232 CAHUSXPBLMHGKJ-CYBMUJFWSA-N 416.974 5.076 0 40 HKAB CCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)s2)c1C 12983566 PRHKUXVZQUWURS-WYMLVPIESA-N 424.953 6.377 0 40 HKAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2c(Cl)cccc2Cl)cc1 12995015 JKSPXAQUTHYZPM-LJQANCHMSA-N 407.341 5.558 0 40 HKAB Cc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O 13748674 GOWILIUYCNKBPL-LJQANCHMSA-N 415.924 5.567 0 40 HKAB C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc(SC(F)F)cc1 15394725 BFMKPCYHHNHHAA-SNVBAGLBSA-N 402.260 5.170 0 40 HKAB Cc1nc(-c2cccs2)sc1-c1ccc(SCc2ccccc2Cl)nn1 16992418 NWKFGIQRTACHDQ-UHFFFAOYSA-N 415.996 6.583 0 40 HKAB COc1c(C)cc(Br)cc1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 17083361 RAWQJIKISXVSGE-BUBBNXEVSA-N 406.364 5.101 0 40 HKAB COc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1Cl 17091852 JIIROOGPKQYLHX-UHFFFAOYSA-N 419.500 5.126 0 40 HKAB COc1ccc(C)cc1CN1CCC[C@@H](c2cc(C(F)F)c3c(C)noc3n2)C1 19133435 SKLNZDQZGONJHJ-OAHLLOKOSA-N 401.457 5.165 0 40 HKAB Cc1ccc(OCc2nc(C(=O)N(Cc3ccco3)Cc3ccco3)cs2)cc1 30470781 JBDABLPDGOHNCU-UHFFFAOYSA-N 408.479 5.059 0 40 HKAB CCOc1cccc(C(=O)Nc2ccccc2-c2nc(-c3ccc(F)cc3)no2)c1 32623008 LGDZVZQTLVCMJS-UHFFFAOYSA-N 403.413 5.194 0 40 HKAB Cc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2cccc(Cl)c2)n1 33325013 VIWKEGWDTJGYLB-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CC(C)(C)N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 35039962 HTBQTWZFPVXWPY-DHDCSXOGSA-N 422.915 5.508 0 40 HKAB C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(C(C)(C)C)cc1 44905991 REZZNYQNGPCGNY-WIYYLYMNSA-N 413.005 5.727 0 40 HKAB COc1ccc(C(=O)N2C(=S)C(c3ccc(OC)cc3)=NC23CCCCCC3)cc1 45932864 RQYRXYQPBSPELD-UHFFFAOYSA-N 422.550 5.027 0 40 HKAB CC1(C)CC2=NN(c3ccccc3)[P@](=O)(Nc3ccccc3)C2=C(N2CCCC2)C1 49537562 BMYKCFZOGAYVIL-SSEXGKCCSA-N 420.497 6.295 0 40 HKAB CCCN1CCCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215701 WACHZPQBFBQTBN-NRFANRHFSA-N 401.595 6.093 0 40 HKAB CC(C)c1nccn1-c1cccc(C2CCN(C(=O)CCCc3ccccc3)CC2)n1 72378553 BVBDKGGCDHCNDB-UHFFFAOYSA-N 416.569 5.120 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc(Sc2ccc(Cl)cc2)cc1 100394222 LAKVKYNDFCWXOZ-ZPLOVTKXSA-N 407.922 5.049 0 40 HKAB C[C@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1c3cccc4cccc(c34)[C@@H]12 100693611 YZJNINMFAVGVBQ-QMMMHVTISA-N 412.532 7.241 0 40 HKAB Brc1ccc(C2=C[C@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 101070067 NKRIASDAEXTZRX-OAQYLSRUSA-N 402.295 5.855 0 40 HKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 101125508 LIIFBMGUDSHTOU-MQCKPYFTSA-N 424.713 8.377 0 40 HKAB biogenic COc1ccc(OCCOC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 102978951 KZZVLGJSRNSPAN-OZMJAHNMSA-N 420.549 5.464 0 40 HKAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1OC 216388905 GLHXWLOKVGPTPR-HSZRJFAPSA-N 421.537 5.154 0 40 HKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 222497181 IELKXDZFLOQHLD-RUZDIDTESA-N 422.613 5.383 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C)n(C4CCCCC4)c3C)N21 222693390 NFOOPFNIKALYIL-YFXJRYMSSA-N 408.615 5.985 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccccc1C(C)C 224229478 RWGZTKMDZIGUJK-UHFFFAOYSA-N 423.940 6.612 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccccc1CN1CCCCC1 224837300 UNTCAAYUUJYGRL-RUZDIDTESA-N 416.565 5.300 0 40 HKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)ccc1F 224914010 KASJYSVZEJCKQH-GOTSBHOMSA-N 420.557 5.623 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1OCC 225059917 LMRCKEYTZUJFJS-UHFFFAOYSA-N 421.562 6.337 0 40 HKAB S=C(Nc1ccc(CSc2ccccc2)cc1)N[C@@H]1CCCc2ccccc21 225459874 LQHMZOJLATXIGS-HSZRJFAPSA-N 404.604 6.343 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)c1 225500261 RDJKSILYNKCUMG-OAQYLSRUSA-N 414.571 5.254 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C 225582814 DCLPUPXXRMUAPQ-UHFFFAOYSA-N 422.352 5.778 0 40 HKAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225623540 FMUMRISIXVPUSY-HYBUGGRVSA-N 404.595 5.111 0 40 HKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225696371 KKDPENBXTHINPJ-UHFFFAOYSA-N 420.638 5.603 0 40 HKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225741981 ZKJWMYJUGDHYQP-UHFFFAOYSA-N 420.638 5.603 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 225803753 HDOMANSSYBFGHT-UHFFFAOYSA-N 409.795 5.289 0 40 HKAB Cc1ccc(C2(NC(=S)Nc3ccc(Br)c(C)c3)CCCC2)cc1 225853984 NJEXPUIRTCLOJK-UHFFFAOYSA-N 403.389 5.822 0 40 HKAB CCC1(NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)CCCC1 225865821 HMHDDOLMBYABOB-UHFFFAOYSA-N 408.611 6.224 0 40 HKAB CC(C)[C@@H]1CC[C@]2(CO)CC[C@@H]3[C@H](CC[C@@H]4[C@@]3(C)CC[C@@H]3[C@@H](C)[C@H](O)CC[C@@]34C)[C@@H]12 253609778 QJWYZJIICBEFDU-OKCZHFDNSA-N 416.690 6.297 0 40 HKAB COc1ccc(CC(=O)O)cc1-c1cc(-c2cccc(F)c2)n(Cc2ccccc2)n1 257270054 MSPDVNGQDSTBSN-UHFFFAOYSA-N 416.452 5.040 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1Oc1ccccc1 408562591 CSXVVIVPYNKEAC-UHFFFAOYSA-N 418.345 6.658 0 40 HKAB Clc1ccc(NCc2ccc(OCc3cccc4ccccc34)cc2)c(Cl)c1 408613626 YZJZABWIRQTBDM-UHFFFAOYSA-N 408.328 7.338 0 40 HKAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3c(C)cccc3C)sc2n1 408620123 KLPLPSXHFDQXHA-UHFFFAOYSA-N 412.584 5.273 0 40 HKAB COc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2cccc(F)c2)cc1 408628614 ZLFZSRSOHLMPEP-UHFFFAOYSA-N 423.868 5.022 0 40 HKAB COc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(C)cc2)n1 408698832 PWQNLVIBVFSHFN-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1/SC(=O)N(c2ccccc2)C1=O 408903315 XFBQUQYJWJIJLA-QFNCUCFLSA-N 403.503 6.258 0 40 HKAB Cc1ccc(SCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 409026355 MOVHZOGJCPKQGX-UHFFFAOYSA-N 400.396 5.444 0 40 HKAB Cc1c(Cl)cccc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1 409116801 MPOQVQDPOPIPLD-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1C 409121098 VWWFKGWKKKCBQB-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB Cc1ccc(SCCC(=O)Nc2ccc(I)cc2C)cc1 409173997 PAOPDGFXBCWJNA-UHFFFAOYSA-N 411.308 5.029 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc12 409190750 VXDKSIWOLFITPL-DEDYPNTBSA-N 409.894 6.133 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br)c1ccccc1 585655884 NUNGDFSTYSVPRS-UHFFFAOYSA-N 410.355 6.169 0 40 HKAB COc1ccc(-c2csc(N3CCn4c5c(c6cc(C)ccc64)CCC[C@H]53)n2)cc1 1074990 VHOCQZAAVRYCQG-HSZRJFAPSA-N 415.562 5.979 0 40 HKAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl 1732184 XLQREMHXWZKWKQ-UHFFFAOYSA-N 400.472 5.938 0 40 HKAB Cc1ccc(C)c(-c2csc(NC(=O)c3cc(C)oc3C)c2C(=O)OC(C)C)c1 2107941 NEUMFSPGVAULQH-UHFFFAOYSA-N 411.523 6.059 0 40 HKAB CCOc1ccccc1Oc1coc2cc(OCc3cccc(OC)c3)ccc2c1=O 2158182 JVRFIVGRGWVGPE-UHFFFAOYSA-N 418.445 5.572 0 40 HKAB biogenic O=C(O)c1cc(-c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)nc2ccccc12 2222083 BYGXKKNFLTUPPC-UHFFFAOYSA-N 417.770 6.532 0 40 HKAB O=P(OC1CCCCC1)(OC1CCCCC1)[C@@H](O)c1c(Cl)cccc1Cl 2381486 GINDWFFJWYJLCA-LJQANCHMSA-N 421.301 6.876 0 40 HKAB Cc1cccc(OP(=O)(Nc2ccc(Cl)cc2)Oc2cccc(C)c2C)c1C 2593709 TWMKLJYNJWDBIR-UHFFFAOYSA-N 415.857 7.252 0 40 HKAB O=C(c1ccc(F)cc1)c1ccc(OCc2ccc(Br)cc2F)cc1 2648572 GOOXNSQIYSDWPP-UHFFFAOYSA-N 403.222 5.537 0 40 HKAB FC(F)(F)c1cccc(COn2c(-c3ccc(Cl)cc3)nc3ccccc32)c1 3052847 XFILWELYQOCXSH-UHFFFAOYSA-N 402.803 6.004 0 40 HKAB COc1ccc(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)cc1OC 3235348 DFJCNAGWSHCNLA-UHFFFAOYSA-N 413.926 5.690 0 40 HKAB Cc1ccc(C(=O)[C@H](Sc2nnnn2-c2cccc(C)c2)c2ccc(C)cc2)cc1 3290672 YZLJPXSXFWHFHI-HSZRJFAPSA-N 414.534 5.304 0 40 HKAB O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 4116578 FMZWEUITGWZFFZ-UHFFFAOYSA-N 406.551 5.508 0 40 HKAB O=C(Nc1ccc(Br)c(Cl)c1)c1ccccc1C(=O)c1ccccc1 4180099 XUNLZGBGEWRERA-UHFFFAOYSA-N 414.686 5.586 0 40 HKAB CCN1C(=O)C(c2c(C)[nH]c3ccccc23)(c2c(C)[nH]c3ccccc23)c2ccccc21 4660210 ZMXCTMNRTWFWIE-UHFFFAOYSA-N 419.528 5.967 0 40 HKAB Cc1cccc2nc(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n12 4733665 NWAPYHAJMDVDLE-UHFFFAOYSA-N 409.848 5.617 0 40 HKAB Cc1ccccc1COc1ccc(-c2ncncc2-c2ccc(Cl)cc2)c(O)c1 5451009 QZACZYFRHBHSGG-UHFFFAOYSA-N 402.881 6.057 0 40 HKAB biogenic COc1ccc([C@H](CCNCc2ccc(OC)c(OC)c2)c2ccc(F)cc2)cc1 5477706 DMVZUYVZIZNHHB-HSZRJFAPSA-N 409.501 5.163 0 40 HKAB CC[C@@H](C)c1ccc(C2=NN=C(Nc3ccc(SC(F)F)cc3)SC2)cc1 5895521 AHDOWIRPTJHMFH-CYBMUJFWSA-N 405.539 6.434 0 40 HKAB Cc1cccc(C)c1NC(=O)c1nc(SCc2ccccc2F)ncc1Cl 6748048 LZYQHLBVHUIUSI-UHFFFAOYSA-N 401.894 5.431 0 40 HKAB CC(=O)c1cccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)c1 6788459 NVBOJASJWWUYRU-UHFFFAOYSA-N 402.475 5.575 0 40 HKAB CCn1c(NC(=O)C2CCCCC2)c(-c2ccc(OC)cc2)c(=O)c2ccccc21 6804531 HIYFULGYKVXSLB-UHFFFAOYSA-N 404.510 5.216 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)Nc1ncccc1OCc1ccccc1 6898812 YNEQMDAOPWBAPN-UHFFFAOYSA-N 411.461 6.097 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2)c2ccccc2)c1C 7277686 RZGPJRMZIFWLMM-DEOSSOPVSA-N 412.558 6.819 0 40 HKAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(-c2nnc3n2CCCCC3)cc1 7407388 DUSGGUYFORTHEY-UHFFFAOYSA-N 415.324 5.160 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 8310371 STYHILLVVSISOK-NRFANRHFSA-N 408.542 5.055 0 40 HKAB Cc1cc(C)c(S(=O)(=O)c2ccccc2)c(Sc2cccc(C(F)(F)F)c2)n1 8855443 SRNCHYCKBFOIEG-UHFFFAOYSA-N 423.481 5.701 0 40 HKAB Cc1ccc(Nc2c(-c3cc(Br)ccc3O)nc3nc(C)cc(C)n23)cc1 9289164 DBGHAUIRNSAUDW-UHFFFAOYSA-N 423.314 5.533 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1ccc(Cl)s1 9492820 WSFZWEXIMRNJOH-UHFFFAOYSA-N 415.927 5.276 0 40 HKAB NC(=O)[C@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1ccccc1 11329261 FVFOCBSABFCTFQ-HXUWFJFHSA-N 407.926 5.057 0 40 HKAB Nc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccn2c1C(=O)c1ccccc1 12342092 GBKSVFTYJVSJLH-UHFFFAOYSA-N 424.287 5.312 0 40 HKAB COc1cc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c(OC)cc1Cl 12892218 OEGGCQVJNBKSLF-UHFFFAOYSA-N 423.856 5.055 0 40 HKAB Cc1ccc(Nc2nn(CN(C)Cc3c(F)cccc3Cl)c(=S)s2)cc1 13072605 OOBHQNILIZGZSV-UHFFFAOYSA-N 408.955 5.608 0 40 HKAB Cc1cccc(OCCCC(=O)Nc2cc(Cl)ccc2N2CCCCCC2)c1 13095681 OZTJQQRTMAVENF-UHFFFAOYSA-N 400.950 5.827 0 40 HKAB CCC(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 17088419 ULOSJDXBCADUQR-UHFFFAOYSA-N 410.351 5.493 0 40 HKAB C1=NN(c2ccccc2)/C(=C2/c3ccccc3C=NN2c2ccccc2)c2ccccc21 17118532 HJKXXCOYJYHASN-DQSJHHFOSA-N 412.496 6.221 0 40 HKAB COc1ccc([C@@H]2CC(=O)c3cnc(Nc4ccc(Cl)cc4Cl)nc3C2)cc1 17208679 OOEFJIXKYLDQFV-ZDUSSCGKSA-N 414.292 5.448 0 40 HKAB Cc1ccc([C@@H](NC(=O)CN2C(=O)c3cccc4cccc2c34)c2ccccc2)cc1 20452559 SAEFCPDAYIZBOM-SANMLTNESA-N 406.485 5.014 0 40 HKAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 28288548 AGGAOSLPXBGHFX-MRXNPFEDSA-N 414.958 5.207 0 40 HKAB Cc1nc(CSc2ccccc2C(=O)N[C@H](C)c2cccc3ccccc23)no1 28434100 DBFJKAGHGUXOES-OAHLLOKOSA-N 403.507 5.315 0 40 HKAB CC(C)n1c(SCc2ccc(F)cc2)nc2c(-c3ccccc3)cn(C)c2c1=O 33114571 FLTHCAYHIBNFJJ-UHFFFAOYSA-N 407.514 5.414 0 40 HKAB O=C(CCC1CCCCC1)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 40050329 VKXHNGYUDZLKIJ-UHFFFAOYSA-N 418.581 5.453 0 40 HKAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1[nH]c2ccc(F)cc2c1Cl 40144467 KLGYTEQRTLIKBY-UHFFFAOYSA-N 423.879 5.198 0 40 HKAB CCc1cccc(C)c1NC(=O)CN(Cc1ccccc1)Cc1ccc(OC)cc1 48290752 RWZFDIABJLCWRU-UHFFFAOYSA-N 402.538 5.207 0 40 HKAB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 48362437 DGTLJMKUAREVQN-VFNWGFHPSA-N 407.514 5.118 0 40 HKAB CN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1cc(Cl)ccc1Cl 48366669 IFIKOPUTWYNSMN-UHFFFAOYSA-N 404.297 5.014 0 40 HKAB Cc1cc(OCCSc2nc3ccccc3c(=O)n2-c2ccccc2)ccc1Cl 59182130 IEUHLYYLLBJYDA-UHFFFAOYSA-N 422.937 5.519 0 40 HKAB COc1ccc(C2=N[C@H](c3ccc(OC)c(OC)c3)N=C(c3ccccc3)S2)cc1 59488722 VEMIIWNCCUPFOG-JOCHJYFZSA-N 418.518 5.351 0 40 HKAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2Cc2ccccc2)cn1)C1CCCC1 72215552 ILGCBPMVGXTRJD-HSZRJFAPSA-N 421.585 6.103 0 40 HKAB Cc1cc(C)n(-c2nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3s2)n1 72229809 GSYKUZQGDMIICX-UHFFFAOYSA-N 404.539 5.649 0 40 HKAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)N1CCC[C@@H]1c1ccc[nH]1 84338990 UEWNYXOYCPFTOX-QGZVFWFLSA-N 405.445 5.063 0 40 HKAB CCOc1ccccc1CNc1c(C(=O)N2CCCCC2)cnc2ccc(F)cc12 95471180 BGFVGPMOLRDWJZ-UHFFFAOYSA-N 407.489 5.011 0 40 HKAB O=C(Cc1cnc2ccccc2c1)Nc1ccc(OCc2cccnc2)c(Cl)c1 97165162 NSQWRAMBTPPJPC-UHFFFAOYSA-N 403.869 5.043 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 222938589 MGJAASJFHFLMBO-VXKWHMMOSA-N 409.570 5.869 0 40 HKAB COc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccccc1C(C)(C)C 224166354 UDZKESBYSHQVQC-UHFFFAOYSA-N 409.570 6.024 0 40 HKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 224352496 OSUZWXGZWWCQNF-LOSJGSFVSA-N 424.573 5.612 0 40 HKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 224395449 IGRCNJIKCBPABX-FCHUYYIVSA-N 406.530 5.314 0 40 HKAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccccc1CCc1ccccc1 224687435 PXLUITVLFWLASN-UHFFFAOYSA-N 419.937 5.896 0 40 HKAB COc1ccc(Cl)cc1C(=O)NCCSCc1ccc(Cl)c(Cl)c1 225035501 WMNIRVKJYWFSJF-UHFFFAOYSA-N 404.746 5.319 0 40 HKAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](CC)C(=O)NC1CCCCC1 225300224 ATMZBPQHNCPZOT-IBGZPJMESA-N 413.389 5.350 0 40 HKAB CCCc1nc(CCc2cc(OC)ccc2OC)c(C(=O)O)cc1-c1ccccc1F 257270285 MTNWJSYMESSJDD-UHFFFAOYSA-N 423.484 5.341 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2c(C)cccc2Cl)nc1-c1ccccc1 408697680 KYQAFQBRXDNCFL-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1cccc2ccccc12 408811224 AAMFGJXDLITILA-BKUYFWCQSA-N 405.475 5.094 0 40 HKAB COc1ccc(Br)c2c1-c1nc(Nc3ccc(Cl)cc3)sc1CC2 408884413 ZAVCURXDVYCHER-UHFFFAOYSA-N 421.747 6.077 0 40 HKAB CCOc1ccccc1/C=C1\N=C(c2sc3cc(Cl)ccc3c2Cl)OC1=O 408969039 GDFQYUBMOMCXDJ-ZROIWOOFSA-N 418.301 5.951 0 40 HKAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)C1=O 409018694 YMSJLGBYCNNTGY-JSJZUPIVSA-N 405.859 5.133 0 40 HKAB O=C(OC(c1ccccc1)c1ccccc1)c1ccc(Cn2nnc3ccccc32)cc1 409176596 SFOVGPOGWQMXJK-UHFFFAOYSA-N 419.484 5.426 0 40 HKAB CC(C)CC(=O)N1CCCCCCCN(C(=O)c2cccc(F)c2)Cc2ccccc21 643589196 QENLDKMTOBMJJH-UHFFFAOYSA-N 424.560 5.811 0 40 HKAB COc1ccc([C@@H]2[C@@H](Oc3ccccc3C)C(=O)N2c2ccc(C)c(C)c2)cc1OC 717824 HZISXYCFMQXQMF-JWQCQUIFSA-N 417.505 5.165 0 40 HKAB C[C@@H](NC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1ccccc1 728194 CKKVBXZYWPCNIH-LJQANCHMSA-N 418.500 5.554 0 40 HKAB O=C(N1CCC(c2nc3ccccc3s2)CC1)N(c1ccccc1)c1ccccc1 1358637 SEQXLEVTMMKYTE-UHFFFAOYSA-N 413.546 6.434 0 40 HKAB CCCc1nc(SCC(=O)Nc2ccc(N(C)C)cc2)c2c(C)c(C)sc2n1 1372224 KETBETOAJHFHSR-UHFFFAOYSA-N 414.600 5.057 0 40 HKAB Cc1cc(I)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 1800529 SCWCMHLQWRFKFI-UHFFFAOYSA-N 413.258 5.519 0 40 HKAB Cc1ccc(Nc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)cc1 2055581 AEKRVMHFLDGZII-UHFFFAOYSA-N 416.322 6.625 0 40 HKAB CCCSc1nnc2c3c4c(sc3nc(SC(C)C)n12)COC(C)(C)C4 2216590 ACHYMGGVTBWCHA-UHFFFAOYSA-N 408.618 5.193 0 40 HKAB CCOP1Oc2c(cc(C)cc2C(C)(C)C)Cc2cc(C)cc(C(C)(C)C)c2O1 2557616 XIBCIRQPAAFHNK-UHFFFAOYSA-N 414.526 7.524 0 40 HKAB CCc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)cc1 2714349 GUTGPGZXVWOQON-UHFFFAOYSA-N 404.517 6.702 0 40 HKAB COc1ccc(-c2nn(Cc3cccc(F)c3)c(-c3ccc(OC)cc3)c2Cl)cc1 2733428 VWPGRZHQBLACCA-UHFFFAOYSA-N 422.887 6.075 0 40 HKAB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)COc1cc(C)ccc1C 2889792 ZZQNGIVWUBMNMX-UHFFFAOYSA-N 423.534 5.453 0 40 HKAB CSc1ccc(CN(C)[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 3381315 YIVIIWBWQPHZEV-LLVKDONJSA-N 417.789 5.828 0 40 HKAB O=C1N/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1c1cccc(Cl)c1 3652665 PBKPRWUEANAZEQ-BKUYFWCQSA-N 404.853 5.016 0 40 HKAB CCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c1 3770791 NJNPNYUTKWGTLB-UHFFFAOYSA-N 414.505 6.461 0 40 HKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1cc(Cl)ccc1Cl 4519699 YZAJAFLRKORWAP-FARCUNLSSA-N 401.087 5.416 0 40 HKAB Cc1ccc(-c2csc3ncnc(SCC(=O)OCc4ccccc4)c23)cc1 4538985 YKEIQNQUWRDYTP-UHFFFAOYSA-N 406.532 5.502 0 40 HKAB CCCCc1ccc(NC(=O)c2cc(Br)ccc2Br)cc1 4666515 GWQRFKHVRWATIG-UHFFFAOYSA-N 411.137 5.807 0 40 HKAB CCOc1ccc([C@@H]2Oc3c(OCC)cccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 4715703 BAZVQJYTTJQAQG-OFVILXPXSA-N 418.493 5.628 0 40 HKAB C[C@@H](c1ccccc1)c1cc([C@H](C)c2ccccc2)cc([C@@H](C)c2ccccc2)c1O 4977566 BYLSIPUARIZAHZ-VJBWXMMDSA-N 406.569 7.848 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(Cc2ccccc2)c(C)[nH]1 5312465 ZSFVZIRMIITQGC-CQSZACIVSA-N 415.946 5.090 0 40 HKAB CC[C@](C)(CC(=O)NCC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 5390570 HFPBLUHWOVFWSL-RGODFAACSA-N 421.625 6.240 0 40 HKAB Clc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@H]2c2cccs2)cc1 5395051 PZQWCDYHFMJNEY-DEOSSOPVSA-N 415.949 6.789 0 40 HKAB CCN(CC)C(=O)/C(=C\c1ccccc1OC(F)F)c1ccc(-c2ccccc2)cc1 6173188 HFIQFDZGIFLGGH-NKFKGCMQSA-N 421.487 6.364 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)c(C)c1 6362177 PQHZHCMLIXIWFF-UHFFFAOYSA-N 409.595 5.952 0 40 HKAB Cc1sc2nc(CN3CCC(C)CC3)nc(Oc3ccccc3Cl)c2c1C 6602572 LYMPMTFONZPAOZ-UHFFFAOYSA-N 401.963 5.986 0 40 HKAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)C1=O 6655298 OZNPZQRHBBKZEZ-LDADJPATSA-N 417.914 5.374 0 40 HKAB COc1ccccc1OCc1nc2ccccc2n1CCCCOc1ccc(C)cc1 6657743 ZIAAUTPFJZJHPU-UHFFFAOYSA-N 416.521 5.792 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)ccc1OCc1ccccc1 7687536 VGVZNMHLRVXKMB-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB Cc1ccc(-c2csc3ncnc(SCC(=O)N[C@H](C)c4ccco4)c23)cc1 8325494 VKGFSOSJMZCYPY-CQSZACIVSA-N 409.536 5.229 0 40 HKAB COc1cc(C)c(NC(=O)CSc2cc(C)c(Br)cc2C)cc1OC 8752938 GXYGIEPKVFJAEY-UHFFFAOYSA-N 424.360 5.122 0 40 HKAB CC(=O)N(c1ccccc1)c1nc(CSc2nnc(-c3ccc(C)cc3)o2)cs1 8825002 YEBUKMMVRXFITQ-UHFFFAOYSA-N 422.535 5.478 0 40 HKAB O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2ccccc2Cl)CC1 9063204 FRVLXVUPRXGQNB-UHFFFAOYSA-N 411.760 5.175 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)c1 9100528 NQPMOQKVHHUAIU-UHFFFAOYSA-N 411.505 5.380 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(CC)c2ccccc2O3)cc1 9134682 SPKDESOVBGHEKW-UHFFFAOYSA-N 402.450 5.110 0 40 HKAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1ccc(C2SCCCS2)cc1 9282978 PNZNGRJPMUQEHF-UHFFFAOYSA-N 422.955 5.432 0 40 HKAB Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)no1 9450413 XWKFHCCNVZATIN-HXUWFJFHSA-N 420.852 5.109 0 40 HKAB Cn1c(-c2cccc(Br)c2)cnc1NCc1ccc(Br)cc1 9805794 HMHRWHLBTROQRT-UHFFFAOYSA-N 421.136 5.224 0 40 HKAB COc1cccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4cccc(Cl)c4)c3n2)c1 9948865 JEAWQJGSWFXGRZ-UHFFFAOYSA-N 417.818 6.077 0 40 HKAB O=C(c1ccc(-n2cccn2)cc1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235807 RUIUSXBZLNGNHM-UHFFFAOYSA-N 422.941 5.155 0 40 HKAB CC(C)c1ccc(CCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 10356866 YJTPOCHVSFJMBI-UHFFFAOYSA-N 404.476 5.110 0 40 HKAB CCO[C@@H](c1ccccc1)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1 12411219 ZUAFVQCRZKHAGL-QFIPXVFZSA-N 416.546 6.291 0 40 HKAB CC(=O)Nc1cccc(Nc2nnc(SCc3nc4ccccc4s3)s2)c1 12538281 MFXLFLIYIAOADG-UHFFFAOYSA-N 413.553 5.142 0 40 HKAB Cc1cc(C)c(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)c(C)c1 12540097 XZGKOAMAOXXWND-UHFFFAOYSA-N 401.535 5.804 0 40 HKAB CCOCc1cc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)ccc1OC 12785581 CAEHAILIOGPVJL-QHCPKHFHSA-N 407.535 5.081 0 40 HKAB O=C(COc1ccc2ccccc2c1Br)Nc1cccc(C(F)(F)F)c1 14835440 NXOJUPVUBNFKOA-UHFFFAOYSA-N 424.216 5.639 0 40 HKAB COc1cc(C(=O)OCC(=O)c2ccc3c(c2)CCCC3)ccc1OCCC(C)C 15544467 ISPJEQCGWRDNKZ-UHFFFAOYSA-N 410.510 5.039 0 40 HKAB COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1cccs1 16323122 YBJIMGROKQITLU-UHFFFAOYSA-N 408.523 5.559 0 40 HKAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)nc12 17088414 UECINHPNGGKRSU-UHFFFAOYSA-N 410.351 5.347 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(Br)c3)o2)cc1Cl 17090863 XTDRHJTVUDNVKO-CSKARUKUSA-N 416.702 6.323 0 40 HKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(C)c(Cl)c1 17092492 DILXZUFGEVXCHX-UHFFFAOYSA-N 420.896 6.334 0 40 HKAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1 17092943 KJMZWTCEWDECNX-CYBMUJFWSA-N 422.381 5.499 0 40 HKAB COc1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C(=O)/C2=C\Nc1ccc(C)cc1 17751692 CWMDBIPTJBCCKD-HMAPJEAMSA-N 418.880 5.297 0 40 HKAB Cc1ccc2oc(C(=O)N3CCC[C@@H]3c3nnc(-c4nccc5ccccc45)o3)cc2c1 19221307 XBNILTSKOMIPND-LJQANCHMSA-N 424.460 5.317 0 40 HKAB Cc1ncsc1-c1nnc(C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)o1 19563182 OMCNQUNJWREYTC-UHFFFAOYSA-N 409.342 5.188 0 40 HKAB CCc1nn2c(C)c(C(=O)Nc3ccccc3)nnc2c1-c1cccc2ccccc12 20672753 OYXNSXYYUYHFLL-UHFFFAOYSA-N 407.477 5.068 0 40 HKAB CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2ccccc2)n2c(nc3ccccc32)N1 20970389 YRQJWBJDTNJMIA-JOCHJYFZSA-N 414.896 5.617 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)CC45CC6CC(CC(C6)C4)C5)ccc3o2)c1 21578652 UQDJQLNLHSJNKV-UHFFFAOYSA-N 416.521 6.048 0 40 HKAB CCOC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(CCc2ccccc2)C1 21670194 KWHWEJLEJUWSCN-UHFFFAOYSA-N 415.489 5.466 0 40 HKAB Cc1sc2nc(-c3cccs3)nc(Sc3nnc(-c4ccco4)o3)c2c1C 24071247 UVCFOTMGSMHRAC-UHFFFAOYSA-N 412.521 5.831 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2noc(-c3cccc(Cl)c3)n2)cc(C)c1Cl 32623287 ZVYZRGPTWGFQDO-LBPRGKRZSA-N 406.269 5.066 0 40 HKAB CC(=O)c1ccc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)s1 32900350 SLMQULKDMJBGTL-OAHLLOKOSA-N 406.507 5.036 0 40 HKAB Cc1ccn2c(Nc3ccc(C)c(Br)c3)c(-c3cccc(O)c3)nc2c1 35616382 SKWCZSGMOKFNMY-UHFFFAOYSA-N 408.299 5.830 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38853464 WNRXIISFRLIWJD-UHFFFAOYSA-N 415.723 5.637 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478257 DFPUODVBFKBFBR-UHFFFAOYSA-N 403.869 5.561 0 40 HKAB Cc1ccc(C(=O)N2C(=S)C(c3cccc(Cl)c3)=NC23CCCCC3)cc1C 45933081 CAYCEFAPRSBQII-UHFFFAOYSA-N 410.970 5.890 0 40 HKAB OC1(c2ccc3c(c2)c2c4n3CCN(Cc3ccccc3)[C@@H]4CCC2)CCCCCC1 57447969 PELAFBAAKHBAGN-AREMUKBSSA-N 414.593 6.076 0 40 HKAB CC(C)c1ccc(-c2cc(-c3nc(-c4ccc(Br)cc4)no3)[nH]n2)cc1 57510930 CUARHTUISMGITQ-UHFFFAOYSA-N 409.287 5.680 0 40 HKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1Cl 59294098 CZPFPQFOOWBUKW-UHFFFAOYSA-N 403.103 5.552 0 40 HKAB COc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(Cl)cc1 59409146 HKIZLSSZJVAXNP-JOCHJYFZSA-N 410.926 5.624 0 40 HKAB COc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 67190059 YZDHEWWZHPUJLP-RWEWTDSWSA-N 404.853 5.580 0 40 HKAB CN(C)c1c(F)cc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1F 83852358 GPEFKWBKEIYMBU-UHFFFAOYSA-N 415.054 5.292 0 40 HKAB COc1ccc(-c2ccc3c(c2)C2(CCCC2)CN3C(=O)c2ccc3[nH]nnc3c2)cc1 96157072 CDGKFHUYERDRCO-UHFFFAOYSA-N 424.504 5.106 0 40 HKAB Brc1ccc([C@H]2C[C@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 101073406 CJUVNNNQOLCEKM-TZIWHRDSSA-N 404.311 5.945 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccc(F)cc1 195528902 YVTJBQMCEPLZNF-OCRZYJLYSA-N 404.462 5.898 0 40 HKAB C[C@@H](C(=O)NCCC1=CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1 222764483 QCSWMEAEZCFALJ-QFIPXVFZSA-N 418.581 5.043 0 40 HKAB CCc1cccc(C)c1NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 223074127 DEVKBNFDIQSJOL-QNGOZBTKSA-N 404.535 5.337 0 40 HKAB O=C(Nc1ccc(OC2CCCC2)cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 224316877 OOSGYPZCBCBBMR-QJOMJCCJSA-N 416.477 5.011 0 40 HKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 224562222 RYMOTQMSHSHKAE-PKTZIBPZSA-N 418.566 5.184 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1CSc1ccc(C)cc1 224667443 BJQHPVVEMIYOHT-UHFFFAOYSA-N 423.603 6.660 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1 225350864 IZTLTFZFPSSEKR-UHFFFAOYSA-N 411.760 5.237 0 40 HKAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(OCc2ccccc2Cl)cc1 225484161 DEKVMWBAJKGTMB-UHFFFAOYSA-N 421.909 5.690 0 40 HKAB COc1ccccc1[C@@H](C)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 225518043 PXOAQIWFOALMJB-OAHLLOKOSA-N 421.368 5.091 0 40 HKAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1Cl 225543868 XRIMJNCUKIPUCO-GOSISDBHSA-N 415.961 5.903 0 40 HKAB Cc1ccc(NC(=S)NCCCc2cccc3ccccc23)cc1N1CCCC1=O 225809345 BCBHVPRLCCPKCZ-UHFFFAOYSA-N 417.578 5.194 0 40 HKAB COc1cc(OC)cc(C(=O)N2CC[C@]3(Cl)CCCC[C@@H]3[C@H]2c2ccccc2)c1 245227233 HLWRCSWXRBUKBS-CQOQZXRMSA-N 413.945 5.459 0 40 HKAB COC(=O)c1ccc(Cl)c2c1[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccc(C(=O)O)cc1)N2 247818915 HHZFLHSBVLSEEI-KXLWJZTGSA-N 411.885 5.121 0 40 HKAB COc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)ccc1OCc1ccccc1Cl 256027821 DWICJYFOBGZRJL-UHFFFAOYSA-N 408.841 5.169 0 40 HKAB COc1ccc(/C=C(/C(=O)Nc2ccccc2Oc2ccccc2)c2ccccc2)cc1 408575299 JEOGXBAQJGZIGA-LKUDQCMESA-N 421.496 6.667 0 40 HKAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(Cl)cc2)C(=O)O)o1 408634455 UVPKFZHWXBFJMV-NVNXTCNLSA-N 423.277 5.270 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)cc3)n2)cc1 408694609 KULNQOSKMBZGOK-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(F)cc3)n2)cc1 408697986 KRMOZJCRHNVZIT-UHFFFAOYSA-N 400.457 5.197 0 40 HKAB Cc1ccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 409206516 KKOKBSXURMTTIY-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(Sc4ccccc4)cc3)C2=O)c1 409251407 QBWANYLXUCPVFD-PXLXIMEGSA-N 400.503 5.239 0 40 HKAB CCc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 409380289 BEIQCRWSMNKVEG-UHFFFAOYSA-N 422.550 5.227 0 40 HKAB COc1ccc([C@@H](NC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)C(C)C)cc1 604419415 MVTPPHBKMGDBOX-GCJKJVERSA-N 423.582 5.591 0 40 HKAB Clc1ccccc1CSc1ncnc2c1[nH]c1ccc(Br)cc12 1889143358 YXLHBRBUADUPNU-UHFFFAOYSA-N 404.720 5.819 0 40 HKAB CCc1c(C)sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1C(N)=O 672928 ORQYOQMOKDXMRN-UHFFFAOYSA-N 415.518 5.185 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1C1CCCCC1 793602 DHCMBXNYCQDXLU-UHFFFAOYSA-N 412.481 5.095 0 40 HKAB CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1Nc1ccc(C(=O)O)cc1 951962 ACMOGWWZZDHYSQ-UHFFFAOYSA-N 405.237 5.160 0 40 HKAB CC[C@@H](C)OC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 957151 WNSAZBBRNSHFBI-KGLIPLIRSA-N 416.857 5.348 0 40 HKAB O=C(Nc1cccc(Cl)c1)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1 1369004 FRJNEHLBVLTPBU-SFTDATJTSA-N 401.913 5.186 0 40 HKAB O=C(CSc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl 1733056 OEFVNARNECFCIF-UHFFFAOYSA-N 415.556 6.684 0 40 HKAB CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(=O)O)C[C@@H]21 1905712 YCHYFHOSGQABSW-RTBURBONSA-N 400.559 6.316 0 40 HKAB biogenic,investigational COc1ccc(-n2c(-c3ccc(C)cc3)nc3nc4ccccc4nc32)cc1Cl 2247097 VJZCXCBNADNERJ-UHFFFAOYSA-N 400.869 5.606 0 40 HKAB COc1ccccc1C(=O)N1c2ccccc2[C@@](C)(c2ccc(Cl)cc2)CC1(C)C 2295299 RMBARTZIUXHPOY-AREMUKBSSA-N 419.952 6.484 0 40 HKAB O=C(OCc1c(Cl)cccc1Cl)c1ccccc1C(=O)c1ccc(Cl)cc1 3314097 PBTGPTZAJWIEJZ-UHFFFAOYSA-N 419.691 6.235 0 40 HKAB CCc1ccccc1NC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CCC2 4499556 XALNJMWSZKLENZ-UHFFFAOYSA-N 404.535 5.612 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 4539998 BAZUVRPNRSOAAJ-HXUWFJFHSA-N 411.379 5.412 0 40 HKAB CC[C@H](C)C(=O)N1c2ccccc2[C@H](N(C(=O)[C@@H](C)CC)c2ccccc2)C[C@@H]1C 4591585 WYDOYBRGEXKRFI-AZXNSQLWSA-N 406.570 5.978 0 40 HKAB Fc1ccc(NC(=S)Nc2cccc(NC(=S)Nc3ccc(F)cc3)c2)cc1 4815296 CYRUPEWRQANIHY-UHFFFAOYSA-N 414.506 5.583 0 40 HKAB COc1cc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(C)cc4)c3c2cc1OC 4970122 OVFAQZMQKDZOSC-UHFFFAOYSA-N 413.452 5.705 0 40 HKAB CC(=O)N1c2ccccc2[C@H](N(C(=O)/C=C/c2ccccc2)c2ccccc2)C[C@@H]1C 5258915 DCZDXBPFAUVTBW-IAQPNLFFSA-N 410.517 5.619 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)C(C)(C)C)c3)nc2c1 6243310 DOBLPZMTCQKZPH-AWEZNQCLSA-N 409.555 5.867 0 40 HKAB CCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc([C@H](C)CC)ccc3o2)cc1 6386454 BHJDGWAGFFZJBV-OAHLLOKOSA-N 409.555 6.012 0 40 HKAB O=C(CSc1nc2ccccc2s1)Nc1nc(-c2ccc(F)cc2)cs1 6886162 NVIJHGVURUZBFZ-UHFFFAOYSA-N 401.513 5.290 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 6938351 PCGMYJJAVWMFHR-QGZVFWFLSA-N 400.950 5.861 0 40 HKAB CCOCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 8253158 BITDNKKDBVQZNH-UHFFFAOYSA-N 412.755 5.198 0 40 HKAB CC(=O)Nc1ccc(-c2csc(-c3ccc(NC(=O)c4ccco4)cc3)n2)cc1 8298627 OVADNPRZIGGLKF-UHFFFAOYSA-N 403.463 5.281 0 40 HKAB COc1ccccc1-c1nc(C)c(-c2ccc(SCc3cccc(C)c3)nn2)s1 8875839 FUHSUELJOFTEJT-UHFFFAOYSA-N 419.575 6.185 0 40 HKAB CCOCc1c(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)oc2ccccc12 9448219 UWOJLGVDCBVVJP-INIZCTEOSA-N 420.534 5.599 0 40 HKAB CC1CCN([C@H](CNC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c2cccs2)CC1 9501745 HJBZOFXDMRKDTR-FXAWDEMLSA-N 403.567 5.063 0 40 HKAB CSCC[C@@H](NC(=O)CCCSc1ccccc1)c1nc2ccccc2s1 9514395 JQXPQHGADDVKCP-GOSISDBHSA-N 416.637 5.779 0 40 HKAB O=C(c1ccccc1)C1CCN(C(=O)/C=C/c2ccc(-c3ccccc3F)o2)CC1 9988002 YKFLXDBXFPSDBZ-ACCUITESSA-N 403.453 5.220 0 40 HKAB CCOc1cccc2c1O[C@H](c1cccs1)N1N=C(c3ccc(OC)cc3)C[C@H]21 10215654 LGTCWJSYPZONER-AUSIDOKSSA-N 406.507 5.398 0 40 HKAB COc1ccc(SCC(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 10219207 OMVJGOOSMAOUQC-UHFFFAOYSA-N 413.549 5.159 0 40 HKAB O=C(CSc1ccc(C(F)(F)F)cn1)NC1c2ccccc2-c2ccccc21 10348393 QNGOAYYIYGHNTR-UHFFFAOYSA-N 400.425 5.079 0 40 HKAB Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c1C 11914517 GDONXWLWYRSGRL-KRWDZBQOSA-N 402.519 5.986 0 40 HKAB CC(C)CCn1c(S[C@@H](C)C(=O)Nc2c(F)cccc2F)nc2ccccc21 12520112 ZCHNJAAQRJQSTH-AWEZNQCLSA-N 403.498 5.480 0 40 HKAB O=C(c1ccc(COc2ccccc2)o1)N1CCCC[C@H]1c1nc2ccccc2s1 12601426 SNTJGEOYQSAPGH-FQEVSTJZSA-N 418.518 5.836 0 40 HKAB COc1c(C)cccc1C(=O)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1Cl 12651126 AOXSWZWRTGMUCS-UHFFFAOYSA-N 406.869 6.026 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1ccc(Cn2ccccc2=O)o1 12875426 ORBHWECDKHDIRG-UHFFFAOYSA-N 420.852 5.188 0 40 HKAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc(-c2nc3ccccc3s2)cc1 14128681 WBIBYNMIQSGBRL-IBGZPJMESA-N 400.459 5.204 0 40 HKAB Fc1ccccc1/N=c1\scc(-c2ccccc2F)n1Cc1ccc2c(c1)OCO2 14359723 WLDUILRMEOTTQL-RWEWTDSWSA-N 422.456 5.504 0 40 HKAB Fc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccc(Cl)cc2Cl)cc1 14922271 NTXWFJRBKOBIKT-OAQYLSRUSA-N 419.714 7.142 0 40 HKAB CCC(=O)N1N=C(c2ccccc2)Sc2c1nc(C1CCCCC1)n2C(=O)CC 16777991 YWUVNBPYHBGAFT-UHFFFAOYSA-N 410.543 5.192 0 40 HKAB COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1 17091002 NNZRSIJYTNXVNL-HNNXBMFYSA-N 417.347 5.397 0 40 HKAB Cc1cc(NC(=O)c2ccc(OCC(C)C)cc2)c(C)cc1I 17093458 DJFDHNDDENGCHP-UHFFFAOYSA-N 423.294 5.195 0 40 HKAB CCC(CC)C(=O)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19500088 GTPJNWOTLNUUEZ-FQEVSTJZSA-N 415.541 5.034 0 40 HKAB CCCCNC(=O)c1ccccc1NC(=O)[C@H](CC)Oc1cccc2ccccc12 20039938 CXCFNPQZNBBVSP-QFIPXVFZSA-N 404.510 5.166 0 40 HKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(F)c(C(F)(F)F)c1 22246186 PQEWDPWLHKDLTP-UHFFFAOYSA-N 413.371 5.744 0 40 HKAB COc1cccc([C@@H]2CC(O)=Nc3nc(N)sc32)c1OCc1cccc(Cl)c1 32074874 AYSRXOVNOFQIGR-AWEZNQCLSA-N 415.902 5.090 0 40 HKAB COc1cc(/C=C/C(=O)N(c2ccccn2)[C@@H](C)c2ccco2)ccc1OC(F)F 32735950 KQIJLLIKRAPFPD-GDXASINISA-N 414.408 5.092 0 40 HKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(Cc2ccccc2)cc1 33672308 TXVHYIWVRPPTPX-UHFFFAOYSA-N 420.537 6.806 0 40 HKAB COc1ccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)cc1Cl 36398720 OLHURBCSVXANHG-FQEVSTJZSA-N 418.971 5.058 0 40 HKAB CC(C)c1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1-c1ccc(Cl)cc1 36636048 YIXDJKGKHKYRLF-UHFFFAOYSA-N 409.704 5.603 0 40 HKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccccc4Cl)ccc32)c1 46078688 JALNNZPRZFMMCW-UHFFFAOYSA-N 404.897 5.494 0 40 HKAB c1ccc2c(Cn3cc(-c4cnn(Cc5cccc6ccccc56)c4)cn3)cccc2c1 49605866 CDEJPUIXOSVWRN-UHFFFAOYSA-N 414.512 6.150 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(F)cc3)cc2C(F)(F)F)cn1 58910561 OGOUIBPOYFZROZ-UHFFFAOYSA-N 417.362 5.053 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2Cl)c(C)c1 67297235 ZKQCUCNDEQFRSL-COOPMVRXSA-N 420.871 6.327 0 40 HKAB CN(C(=O)c1csc(-c2cccc(Cl)c2)n1)[C@H](Cc1ccccn1)C(C)(C)C 72306477 DGOINEGDXCMTQU-LJQANCHMSA-N 413.974 5.588 0 40 HKAB Cc1nc2cc(C(=O)N3CCC[C@H](c4cccc(-c5cccs5)n4)C3)ccc2[nH]1 72350731 FTBBTINMVZWKIA-KRWDZBQOSA-N 402.523 5.015 0 40 HKAB CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)C1CCCC1 72370531 VWOSIOMQDGGVIA-SFHVURJKSA-N 412.599 5.153 0 40 HKAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCN(C(=O)c3cccc4ncccc34)C2)n1 72374763 RXTKLMYBGINJSI-JOCHJYFZSA-N 407.517 5.159 0 40 HKAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)[C@@H]1CCCc2ccccc21 84597284 RHOKHTKDHPJTDJ-GOSISDBHSA-N 409.917 5.247 0 40 HKAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 96625778 PSDXXSWCMRSJDT-UHFFFAOYSA-N 412.839 5.089 0 40 HKAB CCC(CC)C(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2ccncc2)CC1 100738881 YJLPCTSYZJTRDV-RVWIWJKTSA-N 408.590 5.488 0 40 HKAB CC(C)(C)c1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@@H]4C3=O)cc2)cc1 102085339 ZGCLRGHZIOQNLH-ISGSKPSGSA-N 413.517 5.334 0 40 HKAB Cc1cc(-c2csc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)n2)c(C)n1Cc1ccccc1 102368344 XGPRTGPNMMSXEG-PCCBWWKXSA-N 419.594 6.042 0 40 HKAB Cc1ccc([C@H](NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)c(C)c1 222778238 CTLBLOYRRNRTEB-AJTFRIOCSA-N 415.577 6.408 0 40 HKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 222881046 KADZOCZUZKOOPP-QHCPKHFHSA-N 408.542 5.108 0 40 HKAB CCC1(CC)C[C@H](NC(=O)CCSc2ccc(Cl)cc2)c2ccccc2O1 223155383 BEEFNLVKZYGTEW-IBGZPJMESA-N 403.975 6.021 0 40 HKAB S=C(NCCCc1ccccc1)Nc1ccc(N2CCCc3ccccc32)nc1 223964054 MXKXJUYHXAINMA-UHFFFAOYSA-N 402.567 5.085 0 40 HKAB COc1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(C)cc3)c2)c(OC)c1 224338653 URXLGQJIAWSWFJ-UHFFFAOYSA-N 423.534 5.565 0 40 HKAB O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Oc2ccccc2)cc1 224481623 ULMRIZLAJVJQEH-UHFFFAOYSA-N 416.502 5.266 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cc2ccncc2)cc1 225172567 UHEWZYOYTWKUSF-RUZDIDTESA-N 400.522 5.347 0 40 HKAB COc1ccc(-c2nnsc2C(=O)Nc2ccccc2Sc2ccccc2)cc1 225763572 QQTVXDABSRWMTP-UHFFFAOYSA-N 419.531 5.617 0 40 HKAB Cc1cc(NC(=S)NC2(CCc3ccccc3)CCCC2)ccc1Br 225854332 HXIJQFWPIHETQJ-UHFFFAOYSA-N 417.416 5.990 0 40 HKAB Cc1ccc(NC(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)O)cc1 247992859 NOCDKRIOXMJXFY-CXSMSNRLSA-N 411.501 5.388 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCCN3CCC[C@H](C)C3)cc2)CCC(C)CC1 260817006 UKIHROCSYJEUPP-JQJXBVGUSA-N 416.606 5.111 0 40 HKAB Fc1ccc(COc2ccccc2CNc2ccc(Br)c(Cl)c2)cc1 408555587 HHSHXEXEVTXJGU-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)CSCc2c(F)cccc2Cl)cc1 408562552 AUHRZEXQBBYOMI-UHFFFAOYSA-N 409.910 5.308 0 40 HKAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(Nc2ccccc2)cc1 408567490 FGWQDIUMEOIWCO-UHFFFAOYSA-N 422.575 5.926 0 40 HKAB CCOc1cc(C(=S)NCc2ccc(CC)cc2)ccc1OCc1ccccc1 408571988 DRZLWDWOOZQZSY-UHFFFAOYSA-N 405.563 5.692 0 40 HKAB CCOc1cc(/C=C/C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)ccc1OC 408601994 MURSNAYHKJPMJI-OQLLNIDSSA-N 419.477 5.547 0 40 HKAB CC(C)(C)C1CCC(NC(=O)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 408709804 XERVNTPJPFEWEJ-UHFFFAOYSA-N 404.860 5.018 0 40 HKAB CCCCOc1ccc(C2=N/C(=C\c3ccc(OCC)cc3OCC)C(=O)O2)cc1 409005764 VMNPLXAMKNXEQL-QNGOZBTKSA-N 409.482 5.007 0 40 HKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3)c(OCC)c2)C1=O 409061964 KRMMGYKUQHYXOJ-QNGOZBTKSA-N 411.523 5.501 0 40 HKAB Cc1ccc(OCCSc2nnc(-c3ccc(Cl)cc3)n2CC(C)C)cc1 409085590 BVQVVPHSFSZYDJ-UHFFFAOYSA-N 401.963 5.734 0 40 HKAB Cc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 409106745 UCGKNTXEVAEQRG-UHFFFAOYSA-N 421.953 6.067 0 40 HKAB COc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)cc1 409111384 INHBJZURJHXJHA-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB CC(C)[C@H]1CC2(CCN(Cc3cscn3)CC2)CO[C@@H]1c1cccc(Cl)c1 643913163 IFWZKPGBHZBDQJ-NHCUHLMSSA-N 405.007 5.813 0 40 HKAB Cc1ccc(C)c(-n2c(SCc3ccc(F)c(F)c3)nc3ccsc3c2=O)c1 1889224539 PTNLWCDVVXZQEB-UHFFFAOYSA-N 414.502 5.635 0 40 HKAB c1cc(Nc2nccs2)nc(C2CCN(Cc3ccc4ncccc4c3)CC2)c1 2037834802 QTGQFEVREKJYAI-UHFFFAOYSA-N 401.539 5.210 0 40 HKAB Cc1ccccc1-c1nc2cc(NC(=O)c3cccc(Br)c3)ccc2o1 865347 PIKPXBPXIQEWAK-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB CCc1cccc(CC)c1NC(=O)COC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1779001 YAENVNMFJUPAJI-PKNBQFBNSA-N 406.309 5.313 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccc(Cl)cc1 2056720 AUPLBOGGHJOABJ-UHFFFAOYSA-N 417.679 6.707 0 40 HKAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccccc2C)CO4)cc1 2125269 AXMHYGCLSXLTNR-UHFFFAOYSA-N 413.473 5.442 0 40 HKAB biogenic Cc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 2307792 LLDCPIKNKLEFOU-UHFFFAOYSA-N 415.294 5.707 0 40 HKAB COc1cccc(NC(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)c1 2324659 MQYCFSINGXAPBS-UHFFFAOYSA-N 406.920 5.136 0 40 HKAB Cc1cc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)ccc1Cl 2439814 ZCOLUAIOJHACJF-UHFFFAOYSA-N 407.857 5.178 0 40 HKAB O=C(Nc1ccc(Br)cc1Br)C1(c2ccccc2)CCCC1 2512727 OAQMXWZCLVDGJE-UHFFFAOYSA-N 423.148 5.662 0 40 HKAB CCCCSc1oc(-c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(F)cc1 2721691 ZHODLUGCNZGWGT-UHFFFAOYSA-N 405.516 5.514 0 40 HKAB C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)Nc1ccc(Cl)cc1Cl 3228987 RNNTUZAPYDRKJV-LLVKDONJSA-N 423.321 5.106 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](Sc1ncccn1)c1ccccc1 3314452 AKOJXHCKHNAYIH-MRXNPFEDSA-N 423.847 5.621 0 40 HKAB CCOc1ccc(Oc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 3411142 VRFZGSUUIBRIIH-UHFFFAOYSA-N 409.485 6.797 0 40 HKAB COc1ccc(C2=C[C@@H](c3ccc(N(C)C)cc3)Sc3cc(OC)ccc3N2)cc1 3846939 RXQNMWIFHUHAEH-DEOSSOPVSA-N 418.562 6.070 0 40 HKAB biogenic CCCCCCOc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)Nc1ccccc1 4280225 UFLBZDQKNRAOEZ-QFIPXVFZSA-N 423.582 5.077 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Cl)c(Cl)c2)N3)C1 4554574 MNEAXSLJMFOLOY-KPZWWZAWSA-N 423.409 7.025 0 40 HKAB COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)n3ncnc3N2C(=O)CC(C)C)cc1 4816716 YATZGNAQYOJECJ-LEWJYISDSA-N 424.932 5.054 0 40 HKAB CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2c2c1CCCC2 4859065 AOWVYTVWUAZUOE-UHFFFAOYSA-N 420.534 5.021 0 40 HKAB Cc1ccc(C(=O)N(CC(C)C)c2nnc(-c3ccc(C(C)(C)C)cc3)s2)cc1 4880848 MQFCRSURCHLYGD-UHFFFAOYSA-N 407.583 6.114 0 40 HKAB O=C(CSCc1ccccc1Cl)Nc1ccc(NC(=O)c2cccs2)cc1 4941746 LKGMRMCEKRWXIK-UHFFFAOYSA-N 416.955 5.526 0 40 HKAB Cc1cccc(NC(=S)N(Cc2cc3ccc(C)c(C)c3nc2Cl)C2CC2)c1C 4973512 BAGIPQGKISGDEI-UHFFFAOYSA-N 424.013 6.483 0 40 HKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@@H](c1ccccc1)C(Cl)(Cl)Cl 5007424 NODGGCSNXDZVRD-WXHSDQCUSA-N 415.575 5.805 0 40 HKAB COc1cccc(-c2c(NC(=O)c3cccs3)oc3ccc(Cl)cc3c2=O)c1 5347206 QCKJZEJILGKWMY-UHFFFAOYSA-N 411.866 5.436 0 40 HKAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1cc(Cl)cc(Cl)c1 6495584 IIVGCSVRTOLDCH-UHFFFAOYSA-N 407.278 5.140 0 40 HKAB C[C@@H](c1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3)N(C)Cc1c(F)cccc1Cl 7001408 ZEYACCATCPNICM-NEPJUHHUSA-N 419.953 5.095 0 40 HKAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCCCC2)c1nnc(-c2ccccc2)o1 7829524 BIFWSFSGRHKTJU-INIZCTEOSA-N 413.477 5.472 0 40 HKAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1=O 7881915 BFLAUDSKVKNGGS-HXUWFJFHSA-N 414.505 5.341 0 40 HKAB Cc1cccc(NC(=O)Cn2nc(-c3ccccc3)n(-c3cccc(C)c3)c2=S)c1 8414742 CJTFOHWANGWZAF-UHFFFAOYSA-N 414.534 5.326 0 40 HKAB Cc1cccc(NC(=O)c2ccccc2C(=O)N(c2ccccc2)c2ccccc2)c1 8470765 FNAAFEAKYHQBPF-UHFFFAOYSA-N 406.485 6.226 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2ccccc2F)CC1 9063464 YFUQAHNWBUZCKR-UHFFFAOYSA-N 404.485 5.469 0 40 HKAB CC(C)COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)cc1 9265281 WMRCPLKTTSFSKB-QHCPKHFHSA-N 424.903 6.285 0 40 HKAB Clc1ccc(Cl)c2sc(N3CCN(c4nc5ccccc5s4)CC3)nc12 9381988 KHPWUNXRFKPNSQ-UHFFFAOYSA-N 421.378 5.539 0 40 HKAB O=C1c2ccccc2[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1Cc1cccs1 9944303 OFHFMGJTFBZYPX-AREMUKBSSA-N 420.537 6.642 0 40 HKAB Cc1nn2c(=O)cc(CSc3nc4ccccc4o3)[nH]c2c1-c1ccc(Cl)cc1 10338913 ROGRFLVFJNUEBO-UHFFFAOYSA-N 422.897 5.085 0 40 HKAB Cc1cc(C)c(NC(=O)CCCSc2nnc3c(n2)[nH]c2ccc(F)cc23)c(C)c1 12495823 WGNPUPVPXBMTQM-UHFFFAOYSA-N 423.517 5.081 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CC(c1ccccc1)c1ccccc1 12737694 ICGLTYIXXJJXFU-UHFFFAOYSA-N 423.560 5.670 0 40 HKAB CC(=O)N1CCc2cc(NC(=O)c3ccccc3OCc3ccc(Cl)cc3)ccc21 12758809 HQLREQGMXQDTAQ-UHFFFAOYSA-N 420.896 5.080 0 40 HKAB CC(=O)c1cccc(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)c1 12764691 IIKIXOHOGNMYEW-UHFFFAOYSA-N 405.479 5.331 0 40 HKAB CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C=C12 12881974 XNUXTLWJUVVMKR-MWXBQQNOSA-N 423.984 5.663 0 40 HKAB biogenic CCOC(=O)c1ccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c(C)c1 13646077 JWAPTECLCCDCAW-UHFFFAOYSA-N 419.546 6.025 0 40 HKAB Cc1ccc(C(=O)n2c(N)c(C(=O)Nc3ccccc3Cl)c3ccccc32)cc1 16778055 BGYFXPKNYQLEAZ-UHFFFAOYSA-N 403.869 5.126 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3o2)c1 17088770 HQGOWIQHYYSNOS-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)cc1 17090363 VNYQPBKMYJHMFG-UHFFFAOYSA-N 415.518 5.492 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)c1C 18961264 NVMOTMNJGANIOK-GFCCVEGCSA-N 421.444 5.160 0 40 HKAB Cc1ccc(C(=O)N[C@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 20366679 ICNHFISLXLPNRK-HXUWFJFHSA-N 403.869 5.218 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)c1ccccc1NS(=O)(=O)c1ccccc1 20568102 TTXCPGKFJCTIOF-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB O=C(Nc1ccccc1Cl)[C@H]1CC(O)=Nc2c(-c3ccc(Cl)cc3)cnn21 20744489 MUGJXEQPPJUMJP-MRXNPFEDSA-N 401.253 5.028 0 40 HKAB CCn1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(=O)c2cc(C)ccc21 22234633 UPYYTMRGEQFNQN-UHFFFAOYSA-N 409.700 5.542 0 40 HKAB COc1ccc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1OC 22514303 JGPOAUHTRQNNFM-JKSUJKDBSA-N 401.572 5.359 0 40 HKAB COc1cc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)ccc1C 24504283 OLYWNOINJDWXDA-GOSISDBHSA-N 402.494 5.089 0 40 HKAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3nc(C(C)(C)C)cs3)cc2)o1 25447327 CIRHBXHXFDCCQA-UHFFFAOYSA-N 418.522 5.718 0 40 HKAB Cc1ccc(-c2nc(CCNC(=O)C(c3ccccc3)c3ccccc3)cs2)cc1 27990175 QOCDTBRBZSGBMY-UHFFFAOYSA-N 412.558 5.609 0 40 HKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(CN2CCCc3ccccc32)cc1 30858765 HMMXKOMBHSLGAC-UHFFFAOYSA-N 400.566 5.338 0 40 HKAB Cc1cccc(OCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@H]3[C@@H]2c2ccco2)c1 33780086 UXJPRJBLCAUBBU-KGSNHCTMSA-N 416.477 5.383 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)c(Cl)c1 38752771 WIBCPIPJKVLZBM-OAQYLSRUSA-N 411.885 5.466 0 40 HKAB O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 38833099 RMEZXEZHPWSWCB-VWLOTQADSA-N 416.540 5.267 0 40 HKAB CCOC(=O)c1cc(NC(=O)c2ccc(CN3CCCCCC3)cc2)ccc1Cl 44939694 SLJZXSHKPSKSDJ-UHFFFAOYSA-N 414.933 5.145 0 40 HKAB CC(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 46539428 CPONICFGXQRITM-UHFFFAOYSA-N 412.486 5.002 0 40 HKAB Fc1ccc(-c2nc(NCc3ccc(C(F)(F)F)cc3)ncc2-c2ncc[nH]2)cc1 57761953 OPNDSOHVRUOBOU-UHFFFAOYSA-N 413.378 5.304 0 40 HKAB CCc1c(C(=O)N2CC=C(c3c[nH]c4cc(C)ccc34)CC2)cnn1-c1ccccc1 58163113 PYYFYKZNCNPDDR-UHFFFAOYSA-N 410.521 5.154 0 40 HKAB Cc1ccc(-c2noc(-c3cn(-c4cccc(F)c4)c(=O)c4ccccc34)n2)cc1C 67245433 BZTRFBQNXMJJTF-UHFFFAOYSA-N 411.436 5.464 0 40 HKAB COc1cc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCCCCC2)cc(OC)c1O 71286936 OLZASNDMUCONAW-LJQANCHMSA-N 417.531 5.093 0 40 HKAB COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[C@H](c2nc(C(C)C)cs2)C1 72297250 USAUIIWSTYMGEV-OALUTQOASA-N 412.599 5.491 0 40 HKAB CN(C)c1nc2ccccc2cc1CN1CCC[C@H]1c1ccc(Nc2ccccn2)cn1 72353093 AINKQWYRSDDCFE-DEOSSOPVSA-N 424.552 5.172 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1nnc(/C(Cl)=C\c2ccc(Cl)cc2)s1 96926341 DTBFJHMSHJJIQN-NTEUORMPSA-N 410.713 5.834 0 40 HKAB O=C1C[C@@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1ccc(Cl)cc1Cl 101277143 FURVABLBWBUSJX-CYBMUJFWSA-N 404.080 5.044 0 40 HKAB Cc1noc2c1[C@@H](c1ccc(Cl)c(F)c1)C1=C(O)C[C@@H](c3ccc(O)cc3)CC1=N2 102735470 AKJBCOQULQVICZ-LHSJRXKWSA-N 424.859 6.089 0 40 HKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O[C@@H]5CCCCO5)CC[C@]4(C)[C@H]3CC[C@]12C 118916350 JNLBJTOWMWKEJV-CUDJBZPHSA-N 418.618 5.873 0 40 HKAB O=C(c1cc(Cl)ccc1OCc1ccccc1)N1CCN(c2ccccc2F)CC1 219763355 NAZXCVAGOKEOAO-UHFFFAOYSA-N 424.903 5.021 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)c1 222781811 RKARCZXDLBTALF-HXUWFJFHSA-N 422.569 5.541 0 40 HKAB CC[C@H](NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)c1ccc2c(c1)CCCC2 223140540 SUVYSZLJEZWTAX-VWLOTQADSA-N 401.554 5.308 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)/C(=C/c2ccccc2)c2ccccc2)cc1C(C)C 223273134 HCCDBHGUFNRLAA-AZVXTCMLSA-N 413.561 6.545 0 40 HKAB COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1COc1ccccc1 224093386 PXHKPXWMABEIIZ-UHFFFAOYSA-N 423.512 5.794 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccc(C)cc1 224123536 HLLAMCRJQPZYRE-UHFFFAOYSA-N 415.411 5.854 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1cc(C)cc(C)c1 224539291 XJVGOMQNLMXBDY-LJQANCHMSA-N 421.512 5.911 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2cccc(OC(C)C)c2)c1 224615519 UGDXTJWKAULATO-JCMHNJIXSA-N 420.534 5.253 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccc(C)c(C)c1 224619916 ATJGNARPWVAZPS-UHFFFAOYSA-N 417.549 6.657 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c(C(F)(F)F)c3)CCCCC2)cc1 225955710 MNPAIRIVKTUSBV-UHFFFAOYSA-N 419.487 6.642 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(Cl)c(OC)c(Cl)c3)N21 260752830 ACLCDJWGWRXWNO-DQYPLSBCSA-N 408.354 5.376 0 40 HKAB O=C(O)/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)Sc1nc2ccccc2[nH]1 408634597 SEJJXFGBYLEEFQ-BKUYFWCQSA-N 420.465 5.499 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2cc(C)ccc2C)c1 408698596 OJLMRFDOAYCRLD-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB O=C(O)c1ccc(COc2ccc(Br)cc2CNc2ccccc2)cc1 409121820 WQXSDPHDCYWXBQ-UHFFFAOYSA-N 412.283 5.338 0 40 HKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2cccc(Br)c2)C1=O 409151741 BZDIBNSPWVSTPX-HIMLSBAZSA-N 414.324 5.632 0 40 HKAB Cc1cc2oc(C(=O)Nc3nnc(-c4cc(F)ccc4F)s3)c(C)c2cc1Cl 526052301 VDABEPLQECFEOD-UHFFFAOYSA-N 419.840 5.752 0 40 HKAB CCn1c(CN2CCC[C@H](c3cccc(Nc4nccs4)n3)C2)nc2ccccc21 2037834672 BFVTVIQLXYLLSE-KRWDZBQOSA-N 418.570 5.031 0 40 HKAB c1cc(Nc2nccs2)nc([C@H]2CCCN(Cc3ccc4ncccc4c3)C2)c1 2037834776 MYZAJHOYKCCMKP-IBGZPJMESA-N 401.539 5.210 0 40 HKAB c1ccc(-c2noc(CSc3nnc(-c4cccs4)n3-c3ccccc3)n2)cc1 667103 GSDAYOPUDKNPOV-UHFFFAOYSA-N 417.519 5.338 0 40 HKAB COc1cc(C(=O)Oc2cc(C)c(Br)cc2C(C)C)cc(OC)c1OC 673861 RTMJXKYATDVODX-UHFFFAOYSA-N 423.303 5.126 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccc(C)cc3)cc2c1 1360975 RXDLTBNMKJHNCI-UHFFFAOYSA-N 415.493 5.226 0 40 HKAB O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1cc(Cl)ccc1Cl 1518709 CWIRCFGOWHJHKP-UHFFFAOYSA-N 417.273 5.476 0 40 HKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc2ccccc2c1O 1846823 KUFQCUIVZHUMPK-XMMPIXPASA-N 416.860 5.980 0 40 HKAB COC(=O)c1c(NC(=O)/C=C/c2ccccc2Cl)sc2c1CCCCCC2 2082264 CAEYWOXCYNAWMR-OUKQBFOZSA-N 403.931 5.499 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccc(C(C)(C)C)cc1 2450553 XAXZNUOBCMXEFT-UHFFFAOYSA-N 412.534 5.132 0 40 HKAB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)N1CCCc2ccccc21 2624019 QQLGJBUTKAGJOH-NSHDSACASA-N 400.853 5.214 0 40 HKAB FC(F)(F)C1=NC2=NC3=C(CSc4ccccc43)[C@@H](c3ccc(Cl)cc3)N2N1 2631624 AEOFIFAAFGRFJG-MRXNPFEDSA-N 420.847 5.049 0 40 HKAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc2c(c1)CCC2 2653188 WFXXVYPSIAVCTR-QHCPKHFHSA-N 418.924 5.329 0 40 HKAB Cc1ccc([C@H]2[C@@H](Oc3ccc(Cl)cc3C)C(=O)N2c2ccc(C)c(C)c2)cc1 2758772 LJUFFDDCMJSJNZ-BJKOFHAPSA-N 405.925 6.109 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Sc1cccc[n+]1[O-])c1ccccc1 3222874 TYIHRVYRXKUSSW-GOSISDBHSA-N 405.306 5.099 0 40 HKAB COc1ccc(C2=C[C@@H](c3ccccc3)[C@H]3CCCC[C@]34Nc3ccccc3N24)cc1 3999121 VCIWUKDDAJEZBS-VYKTZEHYSA-N 408.545 6.652 0 40 HKAB Cc1ccccc1C(=O)NCCn1cc(SCc2ccccc2)c2ccccc21 4059800 ARBABSCUOBAVFR-UHFFFAOYSA-N 400.547 5.672 0 40 HKAB CCOc1cc(CNCc2ccncc2)cc(Cl)c1OCc1ccccc1Cl 4413589 RPWNNPBSPSBLDB-UHFFFAOYSA-N 417.336 5.656 0 40 HKAB O=C(Nc1ccc(Br)cc1)C1[C@@H]2CC[C@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 4524960 IHGXONDQOAQJQW-ARJVPZMDSA-N 403.147 5.244 0 40 HKAB CC1=C2C=CC=CN2C(=O)C(c2ccccc2)=C(c2ccccc2)C=C1c1ccccc1 4666807 OYIBZMMAMSJJSJ-UHFFFAOYSA-N 413.520 6.881 0 40 HKAB COc1cc2c(cc1OC)[C@H]1CCCC[C@@H]1O[C@H]2c1ccc2oc3ccccc3c2c1 4783763 BWCLFDYZBYENDD-YICQYGDHSA-N 414.501 6.749 0 40 HKAB Clc1ccc(-c2nnn3c2nc(N2CCc4ccccc4C2)c2ccccc23)cc1 5035217 DVMSPDCNOSPIBP-UHFFFAOYSA-N 411.896 5.161 0 40 HKAB Cc1cccc(C(=O)NCc2nc3ccccc3n2Cc2cccc3ccccc23)c1 5235867 SWHPPKVLGJVGPO-UHFFFAOYSA-N 405.501 5.476 0 40 HKAB CCC(=O)N1c2ccccc2[C@H](N(C(=O)c2cccs2)c2ccccc2)C[C@@H]1C 5484842 SPCRETWFWXOSRM-LAUBAEHRSA-N 404.535 5.671 0 40 HKAB Cc1ccc(C(=O)C[C@H](c2ccccc2)[C@H](C(=O)OC(C)(C)C)c2ccccc2)cc1 5543464 HOSABUCFAHLBTK-AOYPEHQESA-N 414.545 6.477 0 40 HKAB Cc1nn2c(SCc3ccc(Cl)cc3)cc(C(C)(C)C)nc2c1-c1ccccc1 5556066 XBOQEWADVSRUDP-UHFFFAOYSA-N 421.997 6.948 0 40 HKAB COc1ccc(Oc2nc(SCc3ccc(Cl)cc3)nc3c2CCCC3)cc1 5720544 FDYDPWXSLLMGLH-UHFFFAOYSA-N 412.942 6.102 0 40 HKAB CC(C)c1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1 5727490 RWYVZLQNBZNDIR-UHFFFAOYSA-N 406.485 7.024 0 40 HKAB Cc1cc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C(C)(C)C)cc2)ccc1Cl 5739865 XDWXOBJXUSPRGK-HSZRJFAPSA-N 404.941 6.717 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(c3nc(-c4ccc(C(C)C)cc4)cs3)C(=O)[C@@H]21 6390501 MOPVZCFMGRPAIT-BTYSMDAFSA-N 406.551 5.415 0 40 HKAB Cc1ccccc1N(C(=O)C[C@H]1OC(=O)c2ccccc21)c1nc2ccccc2s1 6579179 BXVQJBQHKGCQRR-HXUWFJFHSA-N 414.486 5.571 0 40 HKAB Cc1ccc(-c2csc3ncnc(NC[C@H](c4ccccc4Cl)N(C)C)c23)cc1 6881358 XZYFHPOTXZBJJK-HXUWFJFHSA-N 422.985 6.035 0 40 HKAB CCCCc1ccc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1 7062350 IOGHMISLZFJFHD-UHFFFAOYSA-N 417.336 6.210 0 40 HKAB CCCn1nnnc1NCc1c(OCc2ccccc2Cl)ccc2ccccc12 7263299 USWQWVYAGQPGFY-UHFFFAOYSA-N 407.905 5.081 0 40 HKAB Cc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1Cl 8071538 PPLVFCUTCPOTKH-UHFFFAOYSA-N 404.691 5.601 0 40 HKAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1cccc(NC(=O)c2cccs2)c1 8160564 FLRNGZMDWOMOKM-UHFFFAOYSA-N 419.550 5.633 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)c(Cl)c2)c1 8189006 QJDMXHWTTZZRTL-UHFFFAOYSA-N 414.914 5.288 0 40 HKAB Cc1ccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2cccc(Cl)c2C)cc1 8476651 PGYLMXOIXGIEOI-UHFFFAOYSA-N 416.912 5.135 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ncccn2)c2ccccc2)c1C 8548589 KVVVCYGXWUERAD-OAQYLSRUSA-N 414.534 5.609 0 40 HKAB CCc1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccc(C)c(F)c3)on2)cc1 8587313 JFYFYDAQQYGXKS-UHFFFAOYSA-N 418.468 5.787 0 40 HKAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 8724647 ZMLBNRSSSCHVAH-UHFFFAOYSA-N 420.852 5.599 0 40 HKAB O=C(Nc1nnc(CSc2ccccc2)s1)c1sc2ccccc2c1Cl 9227190 RPTGBPDYNRYFQO-UHFFFAOYSA-N 417.968 5.951 0 40 HKAB O=C(CCCSc1nc(-c2ccccc2Br)n[nH]1)c1ccc(F)cc1 9949011 BUXICDQRJDAHBS-UHFFFAOYSA-N 420.307 5.129 0 40 HKAB CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(Cl)cc2)OC3=O)cc1 11689830 DLSHUAQNRGTRAO-QFIPXVFZSA-N 419.864 5.249 0 40 HKAB O=C(Nc1ccc(Sc2ccccn2)c(Cl)c1)c1ccccc1-c1ccccc1 12376985 GGKJSAOTKGUNNR-UHFFFAOYSA-N 416.933 6.806 0 40 HKAB CCOc1ccccc1/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O 12652803 SPCDDTFOMCCERF-LICLKQGHSA-N 408.306 5.629 0 40 HKAB CCn1c(SCc2ccccc2)nnc1-c1cc(-c2ccccc2)nc2ccccc12 12693886 NHNDTNHKAUDJRN-UHFFFAOYSA-N 422.557 6.473 0 40 HKAB COc1ccc(-c2nc(CS[C@H](C)C(=O)Nc3ccccc3Cl)cs2)cc1 12977378 MMEJGDASEUVNJV-CYBMUJFWSA-N 418.971 5.733 0 40 HKAB O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccccc1Cl 13946079 ISJGCZWIHRHMBC-UHFFFAOYSA-N 417.679 6.707 0 40 HKAB Brc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 15016755 ATEUWZWKKFWGNX-FXAWDEMLSA-N 411.324 5.753 0 40 HKAB O=C(c1ccccc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4ccccc4c3)=NN12 15227301 OZSZXMFQMKYKMV-IGKIAQTJSA-N 404.469 5.592 0 40 HKAB CC(C)(C)c1ccc(OC[C@@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)cc1 15671398 VKHBRCDKKAMXSL-QFIPXVFZSA-N 414.549 5.365 0 40 HKAB COc1ccc(C(=O)NCc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1Cl 16348616 ALJQAZXOLQLGSO-UHFFFAOYSA-N 406.869 5.395 0 40 HKAB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cccc(Cl)c1Cl 16383849 PULOVQUNJHQOPY-UHFFFAOYSA-N 416.742 5.383 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 16639227 WKHFJVIPWRYZCU-UHFFFAOYSA-N 416.477 5.935 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2ccccn2)nc2ccccc12 16740449 HVOWQAKILHYBGF-UHFFFAOYSA-N 417.468 6.341 0 40 HKAB COc1ccc(-c2cc(O)nc(SCc3nc(-c4ccccc4C)oc3C)n2)cc1 16841834 VGNNKCOFHYFIKS-UHFFFAOYSA-N 419.506 5.422 0 40 HKAB O=C(C1CCCC1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373195 VILCUEHMKIAAFI-QFIPXVFZSA-N 413.525 5.136 0 40 HKAB c1ccc(OCCOc2cccc(CNc3ccccc3OC[C@H]3CCCO3)c2)cc1 19737595 JHPSZLKUCNNAPH-XMMPIXPASA-N 419.521 5.314 0 40 HKAB CCCC(=O)Nc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1Cl 20581698 MATYALUORKVQOI-UHFFFAOYSA-N 401.293 6.138 0 40 HKAB CCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1 26124434 CLPPQDUXUGHKQP-UHFFFAOYSA-N 420.900 5.423 0 40 HKAB Cc1nn(-c2ccc(NC(=O)c3c(F)cccc3Cl)cc2)c(C)c1Br 27924674 BHTKPBLQMWAJFF-UHFFFAOYSA-N 422.685 5.296 0 40 HKAB O=C(c1ccco1)N(Cc1ccc(OCc2ccccc2Cl)cc1)c1ccccn1 28403713 KKYJCAMIXWEXBF-UHFFFAOYSA-N 418.880 5.754 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Br)c1ccccc1Br 32204043 FBUOXWQLPNGRSZ-UHFFFAOYSA-N 423.026 5.483 0 40 HKAB CCc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38856947 PNGHVEYRKZKSCK-UHFFFAOYSA-N 405.369 5.715 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](C)Nc1ccc(OC)c(-c2ccc(OC)cc2)c1 40002636 DLHVLJKNRGXWIG-QGZVFWFLSA-N 420.509 5.209 0 40 HKAB Cc1ccccc1Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2ccccc21 41076852 UBHHQBVZTCKGOW-UHFFFAOYSA-N 421.953 5.777 0 40 HKAB C[C@@H](NC(=O)N[C@H](C)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 48310070 RMENKGVBZQTNFU-NXEZZACHSA-N 406.140 6.422 0 40 HKAB Cc1ccc([C@H](c2ccccc2C)N2CCN(C(=O)Nc3cccc(C)c3)CC2)cc1 72265286 OGANKKOANZVVNE-AREMUKBSSA-N 413.565 5.551 0 40 HKAB Cc1c(Br)c(N)c(Br)c2nc(-c3ccc(F)cc3)oc12 73639521 GQPKGDCWHIKKKL-UHFFFAOYSA-N 400.045 5.050 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)Nc1c(F)cccc1F 84014188 CAZQNMKLWXCYOH-MDZDMXLPSA-N 422.262 5.477 0 40 HKAB COc1cc([C@H]2OC[C@@H]3[C@@H](C)C=C(C)[C@H]2[C@H]3C)ccc1OCc1ccc(C(=O)O)cc1 101997508 MWCFKMDOPSZIPZ-CUZOOKDNSA-N 422.521 5.508 0 40 HKAB Cc1ccccc1N1C(=O)c2ccc(C(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)cc2C1=O 102066579 QCLDUUXNUVDQEN-BTCOZLQPSA-N 419.521 5.413 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccccc1)[C@H](O)c1ccccc1F 102134242 TYKDNJRHRFRXDI-ZSUBACEXSA-N 404.462 5.898 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 103717993 BVGHTVIBYMSLEQ-JTQLQIEISA-N 417.214 5.004 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCCC[C@@H]1[C@@H](O)[C@@H]3O 118932430 VMUIFEIFBPLOQQ-CKWLCGTBSA-N 404.679 6.439 0 40 HKAB O=C1S/C(=C/c2ccccc2Br)C(=O)N1Cc1ccc(Cl)cc1 214162645 HFKSKCKJRCGISJ-OQLLNIDSSA-N 408.704 5.339 0 40 HKAB CC(C)c1ccc(OCC(=O)N(C)Cc2ccc(Cl)cc2)c(Br)c1 216275865 ZALZHCGXOIPPMS-UHFFFAOYSA-N 410.739 5.263 0 40 HKAB Cc1cc(C)c([C@@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1C 223450164 GLQQGRFPZLDJDM-QGZVFWFLSA-N 404.348 5.247 0 40 HKAB COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(C)cc1 223641268 WYYUFRUQTHHCNG-UHFFFAOYSA-N 403.887 5.250 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2cccc(OC)c2)c1 224251747 FMLDLGSIRBEITO-UHFFFAOYSA-N 405.494 5.406 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225022194 AQSIMOLTSCPKMK-LJQANCHMSA-N 409.555 5.607 0 40 HKAB C[C@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(C(C)(C)C)cc1 225408502 HVODJPAVWDUPEW-SFHVURJKSA-N 423.626 5.658 0 40 HKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 225506293 KDZYJYPCFPSUMK-DEOSSOPVSA-N 415.562 5.198 0 40 HKAB Cc1ccc([C@@H](NC(=S)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 225509024 RKPUTIPBDWFHQA-FQEVSTJZSA-N 400.469 6.090 0 40 HKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225745703 NXRQOOMIFULTDG-VWLOTQADSA-N 418.622 5.501 0 40 HKAB CCc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(CC)c1-c1ccc(C)cc1 408563084 UAWSRXGMAOBOEG-LCUIJRPUSA-N 406.595 6.146 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 408693989 GOMYIQDSMPWQEV-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2cccc(C)c2)cc1 408696980 DCISVNLHHRGJTF-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(Br)c1 408910222 GIUXNQBXTABYNB-QMMMGPOBSA-N 423.521 5.815 0 40 HKAB Cc1ccccc1NCc1ccc(OCc2ccccc2F)c(Br)c1 409119887 UFXSQCFTKDMDSV-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB Clc1ccccc1NCc1ccc(OCc2ccc(Br)cc2)cc1 409179934 QIUNZKQAOXKGAD-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409197944 SJIIWUJFAJJRFG-UHFFFAOYSA-N 408.473 5.162 0 40 HKAB O=C1N/C(=C/c2ccccc2Sc2ccccc2)C(=O)N1c1cccc(Cl)c1 661856 RZIDIJNGIUJUDN-CPNJWEJPSA-N 406.894 5.589 0 40 HKAB O=C(Nc1ccc(I)cc1)c1ccc(Oc2ccccc2)cc1 710912 DSKGHFHLPIVYKQ-UHFFFAOYSA-N 415.230 5.336 0 40 HKAB Cc1ccc(-c2csc(NC(=O)COc3ccccc3Cl)n2)c2ccccc12 846108 SABSCPLHPUYDBG-UHFFFAOYSA-N 408.910 5.943 0 40 HKAB Cc1nc(-c2ccccc2)sc1-c1nnc(SCc2ccc(Cl)cc2)n1C 1391476 HLHYNRISVICYDI-UHFFFAOYSA-N 412.971 5.860 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(NC(=O)c3ccc(Cl)c(Cl)c3)s2)cc1 2062191 LWDBXWAVADFMEZ-UHFFFAOYSA-N 406.338 6.062 0 40 HKAB Cc1cc(N2CCC(Cc3ccccc3)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 2194815 KVUQZAFGTWXEFJ-UHFFFAOYSA-N 416.956 5.817 0 40 HKAB CC1=CC(C)(C)N(C(=S)NC(=O)c2ccc(Br)cc2)c2ccccc21 2272524 CPMJPELVMJDZEE-UHFFFAOYSA-N 415.356 5.166 0 40 HKAB O=C1OC(c2ccccc2)=N/C1=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 2300690 BXXPJUASBYVZMD-PXLXIMEGSA-N 409.420 5.023 0 40 HKAB Cc1cc(=O)oc2cc(OCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)ccc12 3236119 ZCXKMDBAKYRBTR-UHFFFAOYSA-N 412.656 5.079 0 40 HKAB COc1cc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1OCc1ccc(Cl)cc1 3358429 DQSMJJSTNIQBHI-JOCHJYFZSA-N 421.924 5.735 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NC(c1ccccc1)c1ccccc1 3451106 JXDDPPMEKSAURO-UHFFFAOYSA-N 419.887 5.493 0 40 HKAB C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 3669348 OMTSQBNURCOIEJ-LVWKZKTISA-N 408.328 6.475 0 40 HKAB CCC(=O)N(CC[C@@H](C(C)C)[C@H]1CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 4046676 FCOZMFBWWWZEKA-UPVQGACJSA-N 417.634 6.080 0 40 HKAB biogenic C1=C(c2ccccc2)N2N=C(c3ccccc3)O[C@]23CCCC[C@@H]3[C@H]1c1ccccc1 4422374 ZJXHXEHIKDXOSE-SKVJQKLOSA-N 406.529 6.405 0 40 HKAB CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccccc1 4705218 XPTRNZWJMZODHI-UHFFFAOYSA-N 404.510 5.277 0 40 HKAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3)c3ccccc23)cc1OC 5242635 SSURGGOGQDIIIW-UHFFFAOYSA-N 416.502 5.289 0 40 HKAB COc1ccc(OC)c([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)c1 5253320 MUHGJSQSIWIOBS-WIOPSUGQSA-N 400.478 5.255 0 40 HKAB CCn1c(COc2ccc(C)cc2)nnc1SCc1c(Cl)cccc1Cl 5478452 FPZXPABACDYUTM-UHFFFAOYSA-N 408.354 5.785 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(CC)cc4)nc3c2)cc1Cl 5674401 WWBJABXERDWJPP-UHFFFAOYSA-N 420.900 5.287 0 40 HKAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)ccc1OCC(C)C 6024101 QXXRZQKHCHWNDE-UHFFFAOYSA-N 412.555 5.354 0 40 HKAB Cc1ccccc1-n1c(SCC(=O)C(C)(C)C)nc2cc(Cl)ccc2c1=O 6093768 LZWISDBILKBAEN-UHFFFAOYSA-N 400.931 5.055 0 40 HKAB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCc1ccc(Cl)cc1 6169120 GASSYZIMAZCWTD-UHFFFAOYSA-N 401.963 5.946 0 40 HKAB COc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1C 6207501 HEOIVWNXJLDZEA-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 6321359 IFZWUVLZEZMELS-UHFFFAOYSA-N 407.253 6.255 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1Cc3ccccc3[C@H]21 6548795 SABWOVREXJFSPA-DUXKGJEZSA-N 410.300 6.163 0 40 HKAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccccc2)cc1 6649502 WEEVIZPYRHHBKY-UHFFFAOYSA-N 418.562 5.761 0 40 HKAB Cc1ccc(C)c(-n2cnnc2SCC(=O)N[C@@H](C)c2cccc3ccccc23)c1 7020185 TWUZSQAUDGEALA-SFHVURJKSA-N 416.550 5.007 0 40 HKAB Cc1cccc(Oc2ccc(Cl)cc2NC(=O)c2csc3c2CC[C@@H](C)C3)c1 7652115 VIOHHYHUDVTNBO-OAHLLOKOSA-N 411.954 6.879 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2)cc1C 7881828 POIHZAGURKAPNY-IBGZPJMESA-N 400.478 5.087 0 40 HKAB CC(C)c1cc(=O)oc2cc(Oc3nc(-c4cccnc4)nc4ccccc34)ccc12 7984189 YZRXKOURUUIVIJ-UHFFFAOYSA-N 409.445 5.714 0 40 HKAB COCc1c(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)oc2ccccc12 8275548 JNAYMCRBKIHHEJ-HNNXBMFYSA-N 406.507 5.209 0 40 HKAB Cc1oc2ccc(OC(=O)c3ccc(Br)cc3)cc2c1C(=O)OC(C)C 8431374 KDFWOTABNHGOQZ-UHFFFAOYSA-N 417.255 5.288 0 40 HKAB biogenic COc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 8535302 BZJFSRPLRXCFKI-MRXNPFEDSA-N 416.348 6.432 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 8902933 PEEBHUKFFPCFNF-UHFFFAOYSA-N 414.505 6.659 0 40 HKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(Cc2ccccc2F)CC1 9063551 HYHANIXEPMAKFH-UHFFFAOYSA-N 415.723 5.637 0 40 HKAB COc1ccc(-n2c(/C=C/c3c[nH]c4ccc(OC)cc34)nc3ccccc3c2=O)cc1 9235782 PVKZUROIYSFROR-VGOFMYFVSA-N 423.472 5.055 0 40 HKAB COc1ccc(-c2cnc3c(-c4ccccc4)c(Cc4ccccc4)nn3c2N)cc1 9260999 USAFEGDTMZBJLV-UHFFFAOYSA-N 406.489 5.245 0 40 HKAB CC(C)(C)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 10338524 CVLSIWSKJQAQQY-UHFFFAOYSA-N 407.941 7.001 0 40 HKAB Clc1ccccc1OCc1nnc(SCc2ccc3ccccc3n2)n1C1CC1 12563722 CTICWNFXNRJXCP-UHFFFAOYSA-N 422.941 5.686 0 40 HKAB CN1/C(=C\C=C2\N=C(c3ccc(-c4ccccc4)cc3)OC2=O)C(C)(C)c2ccccc21 12565708 ZJVQGVXBUMAORT-UFOJFEDMSA-N 420.512 5.852 0 40 HKAB O=C(COc1cccc(Oc2ccccc2)c1)N1CCC(Cc2ccccc2)CC1 12618577 QBAVIWNLCVQSAS-UHFFFAOYSA-N 401.506 5.339 0 40 HKAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1sc2cc(Cl)ccc2c1Cl 13522972 RBRNOLDGXFUVDQ-UHFFFAOYSA-N 423.361 6.150 0 40 HKAB CC(C)Cc1cc(-c2nnc3sc(Cc4ccc(-c5ccccc5)cc4)nn23)n[nH]1 13683689 HTIVIAAIYNHWOI-UHFFFAOYSA-N 414.538 5.032 0 40 HKAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1ccccc1C(F)(F)F 13694930 AYJGBRLNTLYCFT-UHFFFAOYSA-N 416.424 5.222 0 40 HKAB CC(C)N(C(=O)Cn1c([C@H](C)N2CCCCC2)nc2ccccc21)c1ccccc1 16776802 AGMMRIRPIIIXPX-FQEVSTJZSA-N 404.558 5.025 0 40 HKAB COc1ccc(-c2cn3c(CCC(=O)Nc4ccccc4SC)csc3n2)cc1 16848848 DCLVPILEUSWXKB-UHFFFAOYSA-N 423.563 5.365 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)Cc4ccccc4)ccc3o2)c1 17090365 ILEXHYVGIGQBCV-UHFFFAOYSA-N 415.518 5.167 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)c(C)c3)o2)cc1Cl 20140348 NQWCQPQOLQRVTP-UHFFFAOYSA-N 421.880 6.221 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)Nc1ccc(C(=O)O)c(Cl)c1 20145427 XUGUPKLJMIOXOW-XBXARRHUSA-N 420.223 5.743 0 40 HKAB CCc1c(C)nc2nc(-c3ccccc3)nn2c1Nc1ccc(Br)cc1 20191284 OPYRAZIASCFIKH-UHFFFAOYSA-N 408.303 5.168 0 40 HKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20452883 WFMBZEHLZWTHFW-QFIPXVFZSA-N 421.924 5.984 0 40 HKAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 20458258 JYVKVFQCLFJWHX-LBPRGKRZSA-N 418.773 5.464 0 40 HKAB CCSc1nc2nc(-c3ccc4ccccc4c3)cc(-c3ccc(OC)cc3)n2n1 20635897 ADPPWDKUNUJILC-UHFFFAOYSA-N 412.518 5.732 0 40 HKAB O=C(Nc1ccc2nc(SCCOc3ccccc3)sc2c1)c1ccccc1 20895057 OPZBNURCTNXAPE-UHFFFAOYSA-N 406.532 5.720 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)c4cccc(OC(C)C)c4)ccc3o2)c1 21579138 MJDDYSNEDGIJGO-UHFFFAOYSA-N 402.450 5.543 0 40 HKAB COc1cc(CNCCc2ccc(F)cc2)cc(Cl)c1OCc1cccs1 22107558 GTXOIDRPGRBEDD-UHFFFAOYSA-N 405.922 5.461 0 40 HKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(OC(F)(F)F)cc1 24799151 HCYNNPVBAPUUOZ-UHFFFAOYSA-N 421.246 5.353 0 40 HKAB CC(=O)c1ccc(NC(=O)[C@@H](C)SCc2csc(-c3ccc(F)cc3)n2)cc1 32778870 LQBMNGSOCLYQCO-CQSZACIVSA-N 414.527 5.412 0 40 HKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N[C@H](C)c1ccc(Cl)cc1Cl 32800303 NTLJWIMIEKJEDP-MNOVXSKESA-N 401.721 5.333 0 40 HKAB COc1cccc(Cn2cnc3c4cc(C)ccc4n(Cc4ccc(C)cc4)c3c2=O)c1 35400783 YRBPCCVJTREOHZ-UHFFFAOYSA-N 423.516 5.073 0 40 HKAB CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 40104630 SRKQQOUROFFADI-UHFFFAOYSA-N 408.329 5.186 0 40 HKAB Cc1ccc(-c2csc3c(=O)[nH]c(N4CCC(Cc5ccccc5)CC4)nc23)cc1 44167964 YJJVLAMJNVXQSE-UHFFFAOYSA-N 415.562 5.419 0 40 HKAB Cc1cc2c(s1)c1cnn(CCc3ccccc3)c(=O)c1n2Cc1ccc(F)cc1 57720402 HPOYBMWNAYGIJL-UHFFFAOYSA-N 417.509 5.151 0 40 HKAB Cc1cnn([C@H]2CCCc3ccccc32)c1NC(=O)Cc1ccc(C(F)(F)F)cc1 60331081 LHMFXCMMRRYNKX-FQEVSTJZSA-N 413.443 5.317 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C)c(Cl)c2)nc1 67294408 MZHQPHBXHXHVAV-RWEWTDSWSA-N 419.868 5.288 0 40 HKAB O=C(Cc1cccc2ccccc12)N[C@@H]1CCC[C@H](OC(=O)Nc2ccccc2)C1 77200158 AOSQBDLJJOUPQN-YADHBBJMSA-N 402.494 5.058 0 40 HKAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)Nc5cccnc5)cc34)cs2)cc1 96154499 AYJIWBXPQOMBSQ-UHFFFAOYSA-N 412.474 5.574 0 40 HKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(NC(=O)Nc5nc6ccccc6s5)(C4)C2)C3)cc1 100528661 BENZZHQBODYQQS-LYBIEXDWSA-N 417.578 6.017 0 40 HKAB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@H](c4ccc(O)cc4)C3=C(O)C2)cc1 102732398 XZFIRAAOFSCVMF-AOMKIAJQSA-N 402.450 5.305 0 40 HKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC 106707110 QPYIBSQRJFXPHU-STZFKDTASA-N 411.523 5.419 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2ccc(C)cc2C)cc1OCC 107694326 AVLASODOAGVMLE-UHFFFAOYSA-N 406.320 5.506 0 40 HKAB O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 216411813 DHDIKGZMOFXHPV-UHFFFAOYSA-N 407.535 5.122 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=O)CSCc2ccc(Cl)cc2Cl)c1 222724652 MPCUNLBXOTVQEY-UHFFFAOYSA-N 412.338 5.350 0 40 HKAB CCC1(CC)C[C@H](NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2O1 224242810 WTSIMGVPOSSTHG-KRWDZBQOSA-N 408.325 5.571 0 40 HKAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1CSc1ccc(Cl)cc1 224390541 BACKVEHBLOUGGA-UHFFFAOYSA-N 423.965 5.839 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1CSc1ccc(C)cc1 224663067 CUFOOZDGVRLXIS-UHFFFAOYSA-N 413.489 6.217 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)NCc1ccccc1CN1CCCCC1 224853693 TUOXNZICVNJTGS-UHFFFAOYSA-N 405.369 5.228 0 40 HKAB CCOC(=O)c1cc(NC(=S)NCCCSC2CCCCC2)ccc1Cl 225591533 DLRQERIXBAPTPL-UHFFFAOYSA-N 415.024 5.259 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=S)Nc1cccc(Br)c1)CC(C)(C)O2 225681280 WVRCKIIDPKKOBT-MRXNPFEDSA-N 421.360 5.047 0 40 HKAB Cc1cccc([C@@H](NC(=S)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1 225698470 RXAGNOUGMAHPPB-FQEVSTJZSA-N 400.469 6.090 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ncccc34)CCCCC2)cc1 225867391 HOAZKCSBSCAEIE-UHFFFAOYSA-N 402.538 6.171 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(C)COC(c3cccc(C(F)(F)F)c3)OC2)cc1 225920520 LLDYRRONWFSKGQ-UHFFFAOYSA-N 423.431 5.183 0 40 HKAB CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 226340940 PBXYOEFLLKGOHU-VMPITWQZSA-N 413.670 5.397 0 40 HKAB CC(C)C[C@H]1CN(Cc2ccc(N3CCCC3=O)cc2)CC[C@H]1Nc1cccc(F)c1 257215802 CRSKIPSLVGTDDT-SQJMNOBHSA-N 423.576 5.301 0 40 HKAB CCN(CC)c1ccc(N2C(=O)c3cccc4c(N5CCCC5)ccc(c34)C2=O)cc1 408528407 HOCRXFRJHLIFGN-UHFFFAOYSA-N 413.521 5.087 0 40 HKAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1=O 408650179 ZSEIVWCOLDZPKG-FQEVSTJZSA-N 414.505 5.341 0 40 HKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(Cl)ccc2C)cc1 408676485 OJEYINPROLWKCQ-UHFFFAOYSA-N 402.881 5.698 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3C)n2)cc1C 408693629 BFTLWDNPXSYCKL-UHFFFAOYSA-N 414.484 5.559 0 40 HKAB O=C(Nc1ccccc1Cl)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 408724078 DSQPVDUDCUCOQY-UHFFFAOYSA-N 423.903 6.598 0 40 HKAB CC(C)Cn1c(Cc2ccccc2)nnc1SCc1ccc(Cl)c(Cl)c1 409101840 ZCHRIYOJABYWSY-UHFFFAOYSA-N 406.382 6.124 0 40 HKAB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC 409192287 CDHDIXQSKOSKIM-OQLLNIDSSA-N 410.278 5.252 0 40 HKAB O=C(COc1ccc(C(=S)N2CCCCC2)cc1)Nc1cccc(Cl)c1Cl 409230455 DNYSNEZXTBCEAH-UHFFFAOYSA-N 423.365 5.172 0 40 HKAB Cc1cc(C(=O)Nc2cscc2S(=O)(=O)c2ccc(Cl)cc2)c(C)s1 2037845504 GRFCSTGPNUJSKH-UHFFFAOYSA-N 411.957 5.165 0 40 HKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccc(C)cc1C 662291 WVQJHZFVNYDKAA-UHFFFAOYSA-N 402.450 5.138 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4=O)cc1 677868 ZRERPUFOLINSTI-UHFFFAOYSA-N 405.475 5.214 0 40 HKAB O=C(Nc1cccc(Cl)c1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1646528 WIOWJWLWAPTJDR-UHFFFAOYSA-N 419.906 7.218 0 40 HKAB COCCOC(=O)c1c(C)oc2ccc(OCc3c(Cl)cccc3Cl)cc12 1797690 DTHXEECTZAJHQO-UHFFFAOYSA-N 409.265 5.430 0 40 HKAB biogenic COc1ccccc1Oc1c(C)oc2cc(OCC(=O)c3ccccc3)ccc2c1=O 2102512 BDAIIJAEMTVLEM-UHFFFAOYSA-N 416.429 5.164 0 40 HKAB biogenic COc1ccc(Cl)cc1NCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O 2119785 WXYGFVPBAZSFKX-WCTLISOUSA-N 400.887 5.011 0 40 HKAB CC(C)(C)c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCO3)cc1 2215991 VAIDMGGCPSHIOX-UHFFFAOYSA-N 422.488 5.662 0 40 HKAB CCC(CC)COC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc12 2232986 CWCDBMKTONIIFJ-UHFFFAOYSA-N 416.525 5.116 0 40 HKAB CCc1nc2sc3c(NCCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 2272794 VNALSUUMIYQKMO-UHFFFAOYSA-N 418.566 5.308 0 40 HKAB CC(C)Oc1cccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)c1 2399963 RNFVWHATSCTWQR-UHFFFAOYSA-N 424.548 6.004 0 40 HKAB biogenic Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C 2550515 CGKKHDMOCTVLAY-UHFFFAOYSA-N 421.353 5.137 0 40 HKAB Clc1ccc(Nc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)cs2)cc1 2670993 FZTJLCPVAXAFDB-UHFFFAOYSA-N 421.736 7.774 0 40 HKAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccccc1C 2706966 WXXMFUCQPKXGAY-UHFFFAOYSA-N 418.522 5.183 0 40 HKAB Cc1cccc2c1N(C(=O)c1ccc(F)cc1)C(C)(C)c1ssc(=S)c1-2 3131008 WQTVOLHMDJSUGC-UHFFFAOYSA-N 401.553 6.549 0 40 HKAB CC(C)(C)c1cc(C(=O)OCC(=O)NCc2ccccc2Cl)cc(C(C)(C)C)c1 3217834 CAMMOLLCRLBVET-UHFFFAOYSA-N 415.961 5.408 0 40 HKAB Cc1ccc(COC(=O)Cc2sc(Nc3ccccc3)nc2-c2ccccc2)cc1 3302724 BBFVMCBDBORQLC-UHFFFAOYSA-N 414.530 6.148 0 40 HKAB COc1ccc(OC)c(-c2nc(Nc3ccc(C)c(Cl)c3)sc2CC(=O)O)c1 3651679 SIKWNCAICRYPIM-UHFFFAOYSA-N 418.902 5.160 0 40 HKAB CCN(CC)c1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 4082438 GLEPTZCBJGELTC-UHFFFAOYSA-N 403.309 6.352 0 40 HKAB COc1ccc(O[C@H]2C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2Cl)cc1 4155146 XLOBFWGIQZGZSS-DHIUTWEWSA-N 407.897 5.501 0 40 HKAB Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)c1C 4553951 SUFACXGTYOGAII-UHFFFAOYSA-N 400.909 6.733 0 40 HKAB Cc1ccc(Nc2c(-c3cccc(Cl)c3)nc3ccc(Br)cn23)cc1 4735140 FZOBONQOKNCKSN-UHFFFAOYSA-N 412.718 6.469 0 40 HKAB CC1(C)C[C@](CCNC(=O)c2ncoc2-c2cccs2)(Cc2ccccc2)CCO1 5001956 KQHVLLOOOYQELD-DEOSSOPVSA-N 424.566 5.341 0 40 HKAB CCCn1c(-c2ccc(CC)cc2)cn2c(-c3ccccc3)c(-c3ccccc3)nc12 5051315 DUJNCMYTIAAEJB-UHFFFAOYSA-N 405.545 7.109 0 40 HKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2)o1 5100911 BBRYTIVGOYQKPL-WIYYLYMNSA-N 409.283 5.593 0 40 HKAB CCCCCN1C(=O)N(c2ccccc2)[C@@H](N(O)C(=O)Nc2ccccc2)C1(C)C 5249339 DBPPDBBRXOWFSO-FQEVSTJZSA-N 410.518 5.147 0 40 HKAB CCOC(=O)c1c(NC(=O)CNc2cccc(Cl)c2C)sc2c1CC[C@@H](C)C2 5413592 JMKWGESISSPWDY-GFCCVEGCSA-N 420.962 5.062 0 40 HKAB O=C(NC(=S)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C1CCCC1 5783380 MFVYJFCUAUNXHG-UHFFFAOYSA-N 407.564 5.480 0 40 HKAB CC(C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 5912866 DRQSFOUGNUNYRQ-UHFFFAOYSA-N 400.909 6.931 0 40 HKAB CCCCCOc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3[C@H](C)CCC)cc1 6066500 WPSBKVYQGQAQNI-QRWLVFNGSA-N 417.575 5.531 0 40 HKAB Cc1ccc(NCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)cc1C 6079405 UYXPFQRRDBXQPD-UHFFFAOYSA-N 400.526 5.240 0 40 HKAB Cc1ccc(OCc2ccc(C(=O)OCc3ccc(Br)cc3)cc2)cc1 6479721 QPOHDJOFBCJAIE-UHFFFAOYSA-N 411.295 5.694 0 40 HKAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCc4ccc(F)cc4)cc3)ccc12 6606594 VCUOXHNKCMETJR-UHFFFAOYSA-N 418.420 5.177 0 40 HKAB COc1ccccc1OCc1nc2ccccc2n1CCCCOc1cccc(C)c1 6657745 YBVTXLOXGQJJKO-UHFFFAOYSA-N 416.521 5.792 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1nc(-c3ccc(C)c(C)c3)cs1)[C@H]2C(=O)O 6788765 AIKRVADVIYMACM-FIYPYCPBSA-N 410.539 5.059 0 40 HKAB O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccccc1-c1ccccc1 7141106 LNCOMNLIINGQGT-UHFFFAOYSA-N 421.496 5.740 0 40 HKAB COc1ccc(NC(C)=O)cc1Nc1ncnc2sc(-c3ccccc3)c(C)c12 7186514 OXEPVGPCFRTACZ-UHFFFAOYSA-N 404.495 5.377 0 40 HKAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1 7461878 BTJBGLOZGGCZDG-UHFFFAOYSA-N 409.795 5.289 0 40 HKAB O=C(C1c2ccccc2Oc2ccccc21)N(Cc1cccs1)C[C@H]1CCCO1 8062681 LHGGRJIMTGKQDO-QGZVFWFLSA-N 405.519 5.194 0 40 HKAB CC(C)(C)c1ccc(Cn2c3ccccc3n3cc(-c4ccc5c(c4)OCO5)nc23)cc1 8469053 IIZBLZZWXADAST-UHFFFAOYSA-N 423.516 6.031 0 40 HKAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)C=C[C@H](c4ccccc4)[C@H]3C2=O)c1 8721008 ZRLFIXJRKNCCHY-POTDNYQPSA-N 421.496 5.132 0 40 HKAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1cnn(Cc2ccccc2)c1 9741813 MZDKKDVLRUKPRD-OAQYLSRUSA-N 424.548 5.057 0 40 HKAB COc1ccc(SCCCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 10217971 PFULDONMBNVYEY-UHFFFAOYSA-N 402.516 5.469 0 40 HKAB COc1cccc(Nc2nnc(S[C@H](C)C(=O)c3c[nH]c4ccccc34)s2)c1 10267404 VXUHNPWNXZINHU-GFCCVEGCSA-N 410.524 5.135 0 40 HKAB CC(C)c1noc2ncc(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)cc12 10852504 HNLOZVJVWUGQMU-UHFFFAOYSA-N 412.902 5.299 0 40 HKAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc2oc3ccccc3c2c1 12412692 NNZSSGZDVFWUNI-DEOSSOPVSA-N 423.472 5.788 0 40 HKAB C[C@H](NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)c1nc2ccccc2n1C(F)F 12535775 PQFSLMHKHHRNSG-KBPBESRZSA-N 412.440 5.641 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 12587447 HGRDMXNKRGVJKG-PNCHPQGNSA-N 422.521 5.471 0 40 HKAB CCCCc1ccc2nc(NC(=O)CCc3nnc(-c4ccsc4)o3)sc2c1 12756489 GNZGTDXCEQOLRH-UHFFFAOYSA-N 412.540 5.322 0 40 HKAB Cc1nc(CSc2ccccc2C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)no1 12876909 VEOPJPJAJXYQDH-YLUBKRJZSA-N 411.571 5.005 0 40 HKAB COc1cc(CSc2ccccc2)nc(SCc2c(Cl)cccc2Cl)n1 12951437 ZXAKYLUVRRZKQN-UHFFFAOYSA-N 423.390 6.377 0 40 HKAB C[C@H](Sc1nc2ccccc2o1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 13016824 AFTYPRXUUGWBHZ-HNNXBMFYSA-N 419.937 6.733 0 40 HKAB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1)c1cccs1 13572048 KNEDMPIYZGKZAY-UHFFFAOYSA-N 416.285 6.081 0 40 HKAB COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccc(F)cc4)cc3c2C)c1 15729475 ZLMHZBDWSMHQLF-UHFFFAOYSA-N 403.409 5.372 0 40 HKAB biogenic Cc1ccc(C(=O)N[C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)cc1 15778700 OVUUOUBIUAEVOG-HXUWFJFHSA-N 403.869 5.218 0 40 HKAB CCC(CC)C(=O)Nc1ccc2nc(SCCOc3ccccc3C)sc2c1 15832838 SCXNUSHRMXBRMM-UHFFFAOYSA-N 414.596 6.151 0 40 HKAB Cc1ccc2nc(-c3cccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)oc2c1 16348688 QJFQNAOVPSKECW-UHFFFAOYSA-N 420.896 6.253 0 40 HKAB CC1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2Cl)CC1 17088211 HLBXKVUZRUBYQV-UHFFFAOYSA-N 409.382 5.961 0 40 HKAB O=C(/C=C\c1ccc(Cl)cc1)OCCCCOC(=O)/C=C\c1ccc(Cl)cc1 17381184 MLOMMZSPHHDEQH-PVRNWPCDSA-N 419.304 5.587 0 40 HKAB Cc1ccc(NC(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)cc1 18067985 REEPGYVYQRKLKO-ADXLDGDMSA-N 403.522 5.015 0 40 HKAB CCOc1cc(CN[C@@H](Cc2ccsc2)c2nc(C)c(C)s2)ccc1OC 19532149 IYDSPBNVEWHUIG-SFHVURJKSA-N 402.585 5.302 0 40 HKAB CC[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(OC)cc1 20493715 ZKJGEGGKZUGPOQ-DEOSSOPVSA-N 421.562 5.747 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1cccnc1Nc1ccccc1Br 22072796 AGPBURQQPCAQKE-UHFFFAOYSA-N 402.679 5.493 0 40 HKAB CC(C)N(CCN[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)C(C)C 22776747 IQRCVAQGLRNWME-OAQYLSRUSA-N 421.507 5.094 0 40 HKAB Cc1cc2nnc(SCc3ncc(-c4cccc(Cl)c4)o3)n2c2ccccc12 24047627 QPQZDTYHXQCCCY-UHFFFAOYSA-N 406.898 5.792 0 40 HKAB Cc1cc(SCC(=O)NCc2nc3ccccc3s2)c(C)cc1Br 24588993 ABZJLEXKTMSKFM-UHFFFAOYSA-N 421.385 5.084 0 40 HKAB CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CCCC[C@@H]12 25184584 LVPNZRZEDKYINV-IRLDBZIGSA-N 413.443 5.030 0 40 HKAB CC(=O)c1c(C)cc(C)c(CS[C@@H](C)C(=O)Nc2ccccc2C(F)(F)F)c1C 25691117 NYDHYHUGQCQORH-INIZCTEOSA-N 423.500 6.094 0 40 HKAB Cc1ccc(OCCCCn2c(COc3ccc(Cl)cc3)nc3ccccc32)cc1 31903428 GEKCBSBHFHKDKE-UHFFFAOYSA-N 420.940 6.436 0 40 HKAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnc2c(-c3ccc(F)cc3)cnn12 32074039 DBPULTMLTXTCRO-UHFFFAOYSA-N 414.362 5.115 0 40 HKAB O=C(c1cccc(Br)c1)N(Cc1cccc(Br)c1)C1CC1 32796515 VAFQXZNQKAKKDT-UHFFFAOYSA-N 409.121 5.016 0 40 HKAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc(CN2CCC[C@H](C)C2)cc1 32931175 SYQFZDZIZSHSHJ-SFHVURJKSA-N 403.526 5.063 0 40 HKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(SC)c3)oc12 67295851 VMAHKPAWFPLZED-ATJXCDBQSA-N 423.519 5.105 0 40 HKAB COc1ccc2oc(/C=C/C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)cc2c1 67339566 CHRNSDMEAPLSNP-VQHVLOKHSA-N 408.454 5.280 0 40 HKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 72215162 YLNOEWZPHUJGPW-REWPJTCUSA-N 423.601 6.349 0 40 HKAB O=C(c1c(F)cccc1Cl)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77177454 VQOWZRMKSMYPTP-LBPRGKRZSA-N 419.884 5.157 0 40 HKAB CCCCCSc1nnc2[nH]c3c(c(=O)n12)C1(CCCCC1)Cc1ccccc1-3 101065540 WXLCKMGJTMCNGJ-UHFFFAOYSA-N 408.571 5.125 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)Nc5ccccc5Br)(C4)C2)C3)cc1 102957422 TXXMIJHJKZEOLY-JSODFGIGSA-N 424.382 6.234 0 40 HKAB COc1ccc(-c2ccc(CCC(=O)O)n2CCOc2cc(C)ccc2C(C)C)cc1 107809220 FALDYZIMOXVOME-UHFFFAOYSA-N 421.537 5.692 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cnc(-c2cccc(F)c2)nc1 222626393 JDDQBTDLFVWQJQ-UHFFFAOYSA-N 419.843 5.981 0 40 HKAB CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)N=C4SC[C@@H](CC)N43)o2)cc1 222712603 AZSODEDGHIIOEC-VSDWSMLSSA-N 419.550 5.720 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C 223550618 WOQCSUCIHLITQY-SFHVURJKSA-N 402.494 5.137 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1C 224284726 NOMDBLOOQIIZSB-DNQXCXABSA-N 416.594 5.792 0 40 HKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CC)c2C)cc1 224332437 GLJWLRYFFYSHIB-GOTSBHOMSA-N 404.583 5.259 0 40 HKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1C 224364289 MBBYRKLOGQQKSD-GOTSBHOMSA-N 404.583 5.337 0 40 HKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 224439868 MEBSDPPCWTXPGJ-XZOQPEGZSA-N 414.509 5.189 0 40 HKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(Br)c(Cl)c1 224974319 AITQLRRXXGVHJE-UHFFFAOYSA-N 400.703 5.951 0 40 HKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Sc1ccccc1 225158158 KBONPSLSPGKPOX-SFHVURJKSA-N 403.547 6.123 0 40 HKAB S=C(NCCSCc1c(Cl)cccc1Cl)Nc1cccc(Cl)c1 225363629 STEOMWUBKLWODA-UHFFFAOYSA-N 405.803 5.867 0 40 HKAB CCOc1ccc(NC(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1 225832036 JWNNUZNKQGWKAL-UHFFFAOYSA-N 413.477 5.374 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)Cc3ccccc3C2)c2ccccc12 225933789 AEOAOPRWNNULDF-UHFFFAOYSA-N 421.540 6.222 0 40 HKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccc(C(F)(F)F)cc1)C[C@]2(C)NC(=O)C1CCCC1 257213375 CHHGUTMLUVZNSA-VUUZQCJOSA-N 423.519 6.037 0 40 HKAB CC(C)C(=O)N[C@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2cccc(Cl)c2)C1 257341851 ZMEBILAGFBBEPL-XVAYZXCPSA-N 406.353 6.117 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(F)cc2)cc(Cl)c1OCc1ccc(C)cc1 408553588 OKYSHALQQIDBGB-UHFFFAOYSA-N 413.876 6.018 0 40 HKAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1cc(Cl)ccc1OC 408560441 CRNMKSPNGCOEIZ-ATJXCDBQSA-N 404.894 5.087 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(F)cc3)n2)cc1C 408693608 AXTOVEUNKIFILZ-UHFFFAOYSA-N 404.420 5.082 0 40 HKAB Cc1ccccc1-n1nc(C(=O)NC2CCCCC2)cc1-c1cccc2ccccc12 408723910 AEQWCUJMKAJBDM-UHFFFAOYSA-N 409.533 6.063 0 40 HKAB Cc1ccc(-c2sc(NC(=O)c3cccc(Cl)c3)nc2-c2ccccc2)cc1C 408835731 ZDWZMMRHBZCTAX-UHFFFAOYSA-N 418.949 7.000 0 40 HKAB Cc1ccc(COc2c(Cl)cc(CNc3ccc(C)cc3C)cc2Cl)cc1 409109715 JSJWXJPGFQCISC-UHFFFAOYSA-N 400.349 7.110 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1ccc(F)cc1 865381 AKVPNXDKEAQUTM-UHFFFAOYSA-N 411.230 5.649 0 40 HKAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(Br)cc4)cc3n2)cc1C 885969 CWXRNKGCFUDPGY-UHFFFAOYSA-N 421.298 5.052 0 40 HKAB CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cc(Cl)ccc1OC 949020 GBPONOXHGQKXBA-UHFFFAOYSA-N 400.862 5.216 0 40 HKAB CC[C@@H](C)OC(=O)c1cc(C)nc2c(Br)cc(Br)cc12 975457 HXQLKNNSEUBGDS-SECBINFHSA-N 401.098 5.024 0 40 HKAB O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccc(F)cc1 1264336 HJVMAUASMILKLR-UHFFFAOYSA-N 407.495 5.229 0 40 HKAB COc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(-c3ccccc3)cs2)cc1 1415685 NYHCHNKDKNOFMF-UHFFFAOYSA-N 401.413 5.690 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)Oc1ccc(OCc2ccccc2)cc1 1754090 UDONLKQZLQMOFS-UHFFFAOYSA-N 421.802 6.549 0 40 HKAB CCCOC(=O)c1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1 1892109 ZEZSEEWRTUULNU-HPNDGRJYSA-N 417.892 6.552 0 40 HKAB CCOC(=O)c1c(Nc2ccc(O)cc2)nnc(-c2ccccc2)c1-c1ccccc1 1911202 VZYWTHIYOUMYJT-UHFFFAOYSA-N 411.461 5.437 0 40 HKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(Cl)cc1 1935374 BYGMANLORCODMH-UHFFFAOYSA-N 420.317 6.151 0 40 HKAB Cc1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1Cl 2062913 LTANAZJWDHOBNK-UHFFFAOYSA-N 409.483 6.063 0 40 HKAB Cc1coc2cc3oc(=O)c(CCC(=O)Nc4ccc(F)c(Cl)c4)c(C)c3cc12 2096120 GUUOUHYWZKMGGL-UHFFFAOYSA-N 413.832 5.520 0 40 HKAB biogenic Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(c1cccc(C)n1)C3=O 2368190 XELAULRULYQKLF-OAQYLSRUSA-N 416.864 5.208 0 40 HKAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1 2437581 IMKWAQIWOYQXDL-OAQYLSRUSA-N 424.500 5.289 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)c1cn(-c2ccccc2)nc1-c1cccnc1 2636176 LKUNGPWBVFJYPI-UHFFFAOYSA-N 416.484 5.854 0 40 HKAB O=C(c1ccccc1)c1ccc(Oc2ccc(Cl)cc2NC2=NCCCCC2)cc1 2659763 URTIPVUFFQVDCZ-UHFFFAOYSA-N 418.924 6.748 0 40 HKAB CC(C)(C)c1ccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 3217302 PSSHDHMPUGXTFS-UHFFFAOYSA-N 413.945 5.631 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)C(=O)c1c(-c2ccccc2)cc2ccccn12 3234304 ZOUYQLYCEAXYRN-UHFFFAOYSA-N 408.379 5.447 0 40 HKAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc(Cl)cc1Cl 3259611 MHLZMVHABHBLFG-IFXJQAMLSA-N 424.324 5.378 0 40 HKAB CCOC(=O)c1ccccc1NC(=O)CCN1c2ccccc2Sc2ccccc21 3279648 CZBXQTKATCRUCE-UHFFFAOYSA-N 418.518 5.495 0 40 HKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1cccc(Br)c1 3367946 CZIVLQSSTHACHD-UHFFFAOYSA-N 409.279 5.007 0 40 HKAB CCC(=O)N(CC[C@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1)Cc1ccccc1 4027020 ORVCDMJZVJGXJV-RPBOFIJWSA-N 407.598 5.879 0 40 HKAB biogenic CCc1ccc(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)cc1 4036405 BMBMCRRGIHGSLM-UHFFFAOYSA-N 409.536 5.030 0 40 HKAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc1 4240740 AIBARDNIZBRELY-XMMPIXPASA-N 416.521 5.031 0 40 HKAB CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1 4271444 ZGXQKISLTJLHIV-XMMPIXPASA-N 414.549 5.350 0 40 HKAB Cc1ccc2cc([C@H]3CC(c4ccc(Br)cc4)=NN3)c(Cl)nc2c1 4610998 LQWLMXRCJMTFCE-GOSISDBHSA-N 400.707 5.398 0 40 HKAB CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3c2C1 4660846 MNUFAYIWORMWRJ-OAHLLOKOSA-N 415.530 5.914 0 40 HKAB CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(OC)c(Cl)c4)c3)nc2c1 4867242 MHZSOQKTWANMQW-UHFFFAOYSA-N 406.869 5.972 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc(-c3cccc(Cl)c3)on2)sc(C)c1C 4881055 YZLNMMGBHYHYGT-UHFFFAOYSA-N 404.875 5.102 0 40 HKAB CC(C)(C)c1cc(/C=C2/CCn3c2nc(=O)c2ccccc23)cc(C(C)(C)C)c1O 5021774 WOWSKULDKBJDIJ-LGMDPLHJSA-N 402.538 5.641 0 40 HKAB C(=C(c1nc2ccccc2s1)c1nc2ccccc2s1)c1c[nH]c2ccccc12 5447170 DOUVTAGDDAVFKF-UHFFFAOYSA-N 409.539 6.976 0 40 HKAB Cc1ccc(NC(=O)NC[C@@H]2C[C@H](NC(=O)Nc3ccc(C)cc3C)C2(C)C)c(C)c1 5744643 COGJRLXAOHEOAO-UGKGYDQZSA-N 422.573 5.278 0 40 HKAB Clc1ccc(-n2ncc3c(NC4CCCCCCCCCCC4)ncnc32)cc1 5769322 SYPVVXUHEFWHAR-UHFFFAOYSA-N 411.981 6.554 0 40 HKAB CCOc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)ccc1O 6553786 XGYONAAGJOZHRO-GXBHKBKGSA-N 407.554 5.172 0 40 HKAB Cc1cc(C)c(Cn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c(C)c1 6752580 JTJINLUQRLDOGF-UHFFFAOYSA-N 403.570 5.249 0 40 HKAB Clc1cccc(Cl)c1Sc1nc(-c2ccccc2)nnc1-c1ccccc1 6927766 SJWMCOAWQONGSW-UHFFFAOYSA-N 410.329 6.664 0 40 HKAB O=C(O)/C(=C/c1c(-c2ccccc2)[nH]c2ccccc12)Sc1nc2ccccc2[nH]1 7342888 CLOSPPDWTBNOSI-STZFKDTASA-N 411.486 5.929 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c1 8335513 LVXBDUZQFZOQFR-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB COCc1c(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)sc2cccc(F)c12 8429284 BVUCZVYQOPDARX-UHFFFAOYSA-N 413.470 5.481 0 40 HKAB Cc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)c4ccccc4)c(N)c23)cc1 8441402 UMQHPQQXKPEMIV-UHFFFAOYSA-N 420.537 6.752 0 40 HKAB CCCCOc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(F)cc32)cc1 8441548 JQOKOBXZVMDTAE-UHFFFAOYSA-N 421.903 6.092 0 40 HKAB COc1ccc([C@@H]2CC(C)=NN2c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 8991029 YRKMCMOFCBNKGW-IBGZPJMESA-N 409.511 5.163 0 40 HKAB Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2F)n1 9282574 ZEPHLDJZHVULSG-HXUWFJFHSA-N 420.827 5.039 0 40 HKAB CCOc1ccccc1-n1c(SCc2ccccc2Cl)nnc1-c1cccnc1 9491716 QFJZBMLCGARIPJ-UHFFFAOYSA-N 422.941 5.674 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](Nc1ccc2oc(C)nc2c1)c1ccccc1 9697129 KODOQDNWIPCZAU-QHCPKHFHSA-N 401.466 5.327 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1 12582145 PGVMHVLTGCAKJB-QMMLZNLJSA-N 404.522 5.185 0 40 HKAB COc1ccc(C(=O)C[C@H](C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 12769610 LGDYVAUJJJHEFW-LJQANCHMSA-N 401.487 5.544 0 40 HKAB CC(C)c1ccc(N2C[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)cc1 13037032 UNGDQCJRSLUZDB-MRXNPFEDSA-N 415.415 5.399 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)OCc2csc(-c3ccccc3)n2)c1 13146425 WTGHAJDFSUHPLD-UHFFFAOYSA-N 420.490 5.351 0 40 HKAB CCOc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 13628444 JZVVMNMSWNHTTM-UHFFFAOYSA-N 416.521 5.887 0 40 HKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccccc1CCc1ccccc1 13688291 VZKRZMSRGVKTPZ-UHFFFAOYSA-N 423.581 7.016 0 40 HKAB CCc1cc(Oc2c(F)c(F)c(/C=C/CN3CCOCC3)c(F)c2F)ccc1C 14113909 DWLHIWPUHAYZKM-SNAWJCMRSA-N 409.423 5.252 0 40 HKAB CCCCCCNC(=S)Nc1ccc(NC(=S)NCCCCCC)c(C)c1 16638107 KHLUKOIIHMUYQF-UHFFFAOYSA-N 408.681 5.728 0 40 HKAB CCc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cccc4C)nccn3n2)cc1 16841667 CMQXUPKEGPQGHE-UHFFFAOYSA-N 416.550 5.306 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cc(C)cc4C)nccn3n2)cc1 17051528 PFIVDVKUFXYYNQ-UHFFFAOYSA-N 416.550 5.361 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)/C=C/c4ccco4)ccc3o2)c1 17091081 RJGXSZXFPAICQD-SOFGYWHQSA-N 417.490 5.231 0 40 HKAB CC(C)c1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)cc1 17113648 FVEVYCZTBOIDFK-UHFFFAOYSA-N 402.523 5.251 0 40 HKAB Cc1cc(NC(=O)[C@@H](Sc2ncnc3sc(C)c(C)c23)c2ccccc2)no1 17231009 BOKUVGNHBIEZLN-KRWDZBQOSA-N 410.524 5.077 0 40 HKAB Cc1cc(Oc2ccc(NC(=O)C3[C@H]4CCCC[C@@H]34)cc2)cc(C2CCNCC2)n1 19570443 WBNPUCPODDVVIU-RIKCKFAHSA-N 405.542 5.024 0 40 HKAB O=C(Cc1noc2ccccc12)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 21143403 ZTQLYYIGCPMOQQ-UHFFFAOYSA-N 418.403 5.421 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](N[C@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 25051844 YFUWMMQZPSFPDI-QFQXNSOFSA-N 424.548 5.520 0 40 HKAB COc1ccc(Br)c(C(=O)Nc2nc(C)c(-c3ccccc3)s2)c1 29921455 PLYMXJOPUOYPAU-UHFFFAOYSA-N 403.301 5.142 0 40 HKAB CSc1ccccc1NC(=O)CN(C)C(=O)c1ccccc1Nc1ccc(F)cc1 31546128 CQNWDASYFAZWMX-UHFFFAOYSA-N 423.513 5.002 0 40 HKAB Clc1ccc([C@@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1Cl 31716571 PKYMTSJXAMCLLY-DNQXCXABSA-N 406.312 6.917 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2cc(-c3nc4cnccc4o3)ccc2Cl)cc1 32096725 WTFNZNYFTFCJGR-UHFFFAOYSA-N 407.857 5.583 0 40 HKAB Cc1occc1-c1nnc(SCc2csc(Cc3ccc(Cl)cc3)n2)o1 32325489 BOEOEEJMKCEMDS-UHFFFAOYSA-N 403.916 5.631 0 40 HKAB O=C(COCc1nc2ccccc2s1)Nc1ccccc1Sc1ccccc1 32882386 UNSRYLDNQZIZKC-UHFFFAOYSA-N 406.532 5.603 0 40 HKAB O=C(COc1ccccc1-c1noc(-c2ccccc2)n1)Nc1cccc(Cl)c1 33325029 NYJPEGQVCUZNNA-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB COCCN(Cc1cc2cc(C)ccc2nc1Cl)C(=O)Nc1ccccc1F 35311768 RFBCYRDFERGWGL-UHFFFAOYSA-N 401.869 5.016 0 40 HKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cccnc1Cl 40717914 GQABCWQBZYQXPM-UHFFFAOYSA-N 405.889 5.153 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2cccc(C)c2C)sc2c1CCCC2 44902928 NNJHMUORUFLJOV-QGZVFWFLSA-N 415.555 5.217 0 40 HKAB Cc1ccc2nc(Cl)c([C@H]3CC(c4ccccc4)=NN3C(=O)C(C)(C)C)cc2c1 58133983 DONUOLVRMXXURU-OAQYLSRUSA-N 405.929 5.920 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1 72230096 ULDBDYFHIDVUJT-HFRIYAALSA-N 405.925 6.197 0 40 HKAB Cc1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c(Br)c1 98073011 PNNZGYYIEZCIDD-MRXNPFEDSA-N 422.322 5.731 0 40 HKAB Cc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)Nc2nc3ccccc3n21 101229544 XRNWJIKSICSIKP-UNMCSNQZSA-N 408.332 6.798 0 40 HKAB COc1ccc(-c2csc(C3=C(O)CN([C@@H](C)CCc4ccccc4)C3=N)n2)cc1 102734879 DBEDFVBZZHBPAX-INIZCTEOSA-N 419.550 5.402 0 40 HKAB C1=C(c2ccccc2)N=C(c2ccccc2)[C@H]2[C@@H](c3ccccc3)N2[C@H]1c1ccccc1 104188758 XBVYAFOZBSKPOK-ZOUOGJGDSA-N 412.536 6.697 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C 118914067 PRYIJAGAEJZDBO-BJWFAPLMSA-N 402.663 6.600 0 40 HKAB CC(C)(C)[C@H]1CCc2[nH]nc(C(=O)NCCOc3ccc(-c4ccccc4)cc3)c2C1 141559335 IZOSXRFSKQEEAA-FQEVSTJZSA-N 417.553 5.037 0 40 HKAB Cc1ccc(CN2C(=O)S/C(=C/c3cccc(OCc4ccccc4)c3)C2=O)cc1 214462645 JNSYEFSQXPERFT-HZHRSRAPSA-N 415.514 5.811 0 40 HKAB CC(C)c1ccccc1OCC(=O)NCCSCc1ccc(Cl)cc1Cl 222805851 BEOGIBJMXHWWPO-UHFFFAOYSA-N 412.382 5.545 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1CSc1ccc(C)cc1 224662084 BAGZTMJOPODKMW-UHFFFAOYSA-N 411.954 6.592 0 40 HKAB Nc1c(-c2ccccc2Cl)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1 225177515 BYGUCGXCNRKKPW-UHFFFAOYSA-N 405.729 5.813 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c2ccccc12 225764786 CIGDYYOMOTXUEC-UHFFFAOYSA-N 407.941 6.733 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1OC 408927213 YQLCWTDEAMEYHZ-SDNWHVSQSA-N 419.546 5.956 0 40 HKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(C)cc2)nc1-c1ccc(F)cc1 409204299 DXJVYEZXDVYCMU-UHFFFAOYSA-N 410.514 5.812 0 40 HKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(OCC)cc2)nc1-c1ccccc1 409204780 KDJYIAIDNZLKKB-UHFFFAOYSA-N 422.550 5.763 0 40 HKAB CCCc1nc(COc2ccccc2C(C)C)c(C(=O)O)cc1-c1cccc(Cl)c1 585265722 ZTJHCSHLDHNUKG-UHFFFAOYSA-N 423.940 6.755 0 40 HKAB CC(=O)N1CCCCCCCCN(C(=O)c2ccc(N(C)C)cc2)Cc2ccccc21 643569383 GHHJGBFXFCBFLB-UHFFFAOYSA-N 421.585 5.102 0 40 HKAB CN1/C(=C/C=C/C=C/C=C2c3ccccc3-c3ccccc32)C(C)(C)c2ccccc21 685944761 VSMZGVGXHHDPCB-OLEFLFIHSA-N 401.553 7.523 0 40 HKAB C[C@H](CO)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 725236950 FYHRJWMENCALJY-CCLDBICNSA-N 402.663 6.361 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4=O)c(C)c1 834437 XVKOBTKODUMGFU-UHFFFAOYSA-N 419.502 5.523 0 40 HKAB biogenic Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)Nc3ccc(F)c(Cl)c3)n12 877110 QPXDAXMXFOVZIT-UHFFFAOYSA-N 414.893 5.023 0 40 HKAB CC(=O)c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)o2)cc1 1013056 ZOGZOYHEAHSWLG-BKUYFWCQSA-N 403.459 5.386 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2)cc1 1022709 XZHOZESPTUTTBB-UHFFFAOYSA-N 406.441 5.201 0 40 HKAB CCOc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)Nc1ccc(Cl)c(Cl)c1 1305254 PTIADVFNIJUGEF-CYBMUJFWSA-N 407.341 6.716 0 40 HKAB Cc1ccc(-c2c3c(nc4sc(C(=O)NCc5ccccc5)c(N)c24)CCC3)cc1 1792725 OHBZVOHGBLTBSR-UHFFFAOYSA-N 413.546 5.273 0 40 HKAB COc1ccc(-c2coc3c2c(C)cc2oc(=O)c(Cc4ccccc4)c(C)c23)cc1 2125663 AYGRIXLXRDVWPK-UHFFFAOYSA-N 410.469 6.422 0 40 HKAB biogenic CC(C)(C)c1ccc(-c2nnc3sc(-c4ccc(Br)cc4)nn23)cc1 2225351 CCYGNGJMOYMREZ-UHFFFAOYSA-N 413.344 5.580 0 40 HKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)c(Cl)c1 2270415 QMJANZLGPKOJSM-VWLOTQADSA-N 424.371 7.129 0 40 HKAB CCN(CC)c1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@H]2c2cccs2)cc1 2336341 GDWFDWSGXBBQTQ-DEOSSOPVSA-N 418.566 5.522 0 40 HKAB COC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)C(Cl)=C(Cl)Cl 2577792 CKWDTCWQHSAWBM-UHFFFAOYSA-N 408.665 5.165 0 40 HKAB COc1ccc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)cc1F 2620025 AUKMIRBUOWFPOJ-UHFFFAOYSA-N 411.527 5.495 0 40 HKAB Clc1ccc2c(c1)C1=C([C@@H](c3cccs3)O2)[C@@H](c2ccccc2)n2ncnc2N1 2707249 HVKOWBOZZXKVRD-NHCUHLMSSA-N 418.909 5.553 0 40 HKAB Cc1cccc(C)c1NC(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 2725458 VQMSTVQSWNPWNK-UHFFFAOYSA-N 421.202 5.419 0 40 HKAB CCCCc1ccc(-c2nnc(NC(=O)c3ccc(Br)cc3)s2)cc1 3208359 BCFCTRRHJWGYDM-UHFFFAOYSA-N 416.344 5.563 0 40 HKAB CCc1cc2c(S[C@@H](C)C(=O)Nc3ncc(Cl)cc3Cl)ncnc2s1 3278765 QFXGQHJGZDEODD-QMMMGPOBSA-N 413.355 5.075 0 40 HKAB Cc1ccc(C)c(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 4033362 VERQDDDUEODWKX-FQEVSTJZSA-N 413.496 5.361 0 40 HKAB COc1cccc(OC)c1C(=O)Oc1ccc2oc(=O)c(-c3ccccc3)c(C)c2c1 4340777 UTNDAOIFKACEPJ-UHFFFAOYSA-N 416.429 5.005 0 40 HKAB biogenic Cc1cc(C)c(NC(=O)CSc2nnc(C3CCCCC3)n2-n2cccc2)c(C)c1 4518659 JIPXXOQRNNZPNC-UHFFFAOYSA-N 423.586 5.095 0 40 HKAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(F)cc2)n2c(nc3ccccc32)N1 4742057 YLLUIODRBAWAPM-QFIPXVFZSA-N 416.431 5.242 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)cc1 4899349 DPKQSAAJXQLYKM-CPDGCORCSA-N 408.545 6.593 0 40 HKAB Cc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2cc(C(F)(F)F)ccc23)cc1 4970073 IEPCLBOYHVLYCD-UHFFFAOYSA-N 417.434 6.876 0 40 HKAB Cc1cc(C)c2nc(N(Cc3cccnc3)C(=O)CCc3ccccc3)sc2c1 5142352 RTJFZGCHGZCYMG-UHFFFAOYSA-N 401.535 5.474 0 40 HKAB CCN(CC)[P@]1(=Nc2ccccc2)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1C 5568060 MBSWVNAXEMQASO-YXWORILISA-N 421.529 6.262 0 40 HKAB CCc1ccc(-c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc1 5674397 SSFFEZVUCBFIFO-UHFFFAOYSA-N 410.561 6.163 0 40 HKAB CC(C)(C)C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 6298111 UBWMNYPBJHQUOT-UHFFFAOYSA-N 403.960 5.476 0 40 HKAB CC(C)(C)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 6882528 ODBQUJCEJBONDR-UHFFFAOYSA-N 417.174 6.223 0 40 HKAB C[C@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1cccnc1 7256799 OZOZXLWNMVRFEU-HNNXBMFYSA-N 405.448 5.318 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CN1c1cccc(Cl)c1 7542867 YXZBMOMPIMEFPS-IBGZPJMESA-N 421.972 6.181 0 40 HKAB C[C@@H]1C[C@H](Sc2nnc(Cc3cccc4ccccc34)n2C2CCCCC2)C(=O)O1 8271386 XKWNSJOLWPSQEY-IERDGZPVSA-N 421.566 5.323 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)c3ccccc3F)n2[C@@H]2CCCC[C@@H]2C)c1 8343505 FPBLAXXYHNAJKA-LAUBAEHRSA-N 423.557 6.119 0 40 HKAB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2Cl)N(c2ccc(F)cc2)C3=O)cc1 8557886 SNISKIPGXUKRMW-QHCPKHFHSA-N 417.871 5.927 0 40 HKAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)n1cnc2sc(-c3ccccc3)cc2c1=O 8717837 PRLMNLNZZMHZHB-CQSZACIVSA-N 423.925 5.287 0 40 HKAB O=C(O)Cc1sc(-c2cccc(NC(=O)C3CC3)c2)nc1-c1ccc(Cl)cc1 8719494 HFCXTIKNFITFQT-UHFFFAOYSA-N 412.898 5.106 0 40 HKAB O=C(c1ccc(Cl)cc1Cl)N1C[C@H]2CCCN2c2ccc(C(F)(F)F)cc21 8782254 LFSLRFCQEMYRAN-CYBMUJFWSA-N 415.242 5.641 0 40 HKAB Cc1c(CC(=O)Nc2nccs2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 8877226 KGKWOKJXXIUHTL-UHFFFAOYSA-N 416.458 5.152 0 40 HKAB biogenic Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)COc3ccc(Cl)cc3)ccc1O2 9134902 XNHWLXGCKZBOAF-UHFFFAOYSA-N 408.841 5.024 0 40 HKAB CCC1=Nc2ccccc2N=C(NC(=O)c2ccco2)[C@@H]1c1ccc(OC)c(OC)c1 9614636 BPIKCMLVTPYMAY-JOCHJYFZSA-N 417.465 5.037 0 40 HKAB Cc1ccc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1Cl 9871184 CXAUHBLLTYJKEI-OAHLLOKOSA-N 414.836 5.109 0 40 HKAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 12599658 RLBIDTCWEJEYCH-IGKWTDBASA-N 408.538 5.443 0 40 HKAB COc1ccc2cc(CN(C)C(=O)CCCc3nc4ccccc4s3)ccc2c1 12790614 RDYTUGWTKQZZFU-UHFFFAOYSA-N 404.535 5.439 0 40 HKAB CC(C)c1ccc(CN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)C2CC2)cc1 13006928 ZJRYQAAVFDINKN-UHFFFAOYSA-N 406.501 5.728 0 40 HKAB Cc1csc2nc(CN[C@@H](c3ccc(C4CCCCC4)cc3)C(C)C)cc(=O)n12 13011049 XBMFEHXBYJSSBZ-HSZRJFAPSA-N 409.599 5.599 0 40 HKAB Cc1cccc(OCCn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)c1 13030780 SGVPHHYOFFZINM-UHFFFAOYSA-N 414.549 6.300 0 40 HKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)cc1 16902553 YQUFOZUYOMIMSF-IBGZPJMESA-N 415.924 5.567 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 17081898 KNPGWJNCJISUSN-KRWDZBQOSA-N 400.478 6.026 0 40 HKAB CC[C@H](C)c1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 17091560 XIEQATCSDQHWGA-SFHVURJKSA-N 418.562 5.906 0 40 HKAB CC(C)C(=O)N1CCCc2cc(NC(=O)NCc3cccc4ccccc34)ccc21 22504452 UFETYKFHLKTCHU-UHFFFAOYSA-N 401.510 5.097 0 40 HKAB CCc1ccc([C@@H](NC(=O)Cc2csc(-c3ccsc3)n2)c2cccs2)cc1 29429143 PBTIUHHSSHVUKN-OAQYLSRUSA-N 424.616 5.944 0 40 HKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc(Cl)ccc3Cl)o2)cc1C 33776158 JSAUVIQMHDAKBK-UHFFFAOYSA-N 419.333 5.997 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)cc1 33856091 VUKBPEPKMWPLCJ-UHFFFAOYSA-N 412.352 6.302 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C 39239182 YEYCQJVCAMFWCO-BTGNDISDSA-N 414.674 7.569 0 40 HKAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 40061874 ISHKMTHVAYFCHR-MOPGFXCFSA-N 401.535 5.186 0 40 HKAB Cc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2-c2ccccc2C)cc1 44086810 RHLWEWLADCKJKZ-UHFFFAOYSA-N 418.522 5.183 0 40 HKAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Sc3ccccc3)c(Cl)c2)cc1 58168134 KCSGFAXDGAZTOJ-UHFFFAOYSA-N 417.939 5.147 0 40 HKAB O=C(O)c1cccc(Nc2nc(-c3ccc(Br)cc3)c3ccccc3n2)c1 78968829 CSEOUKLZDVUOKN-UHFFFAOYSA-N 420.266 5.501 0 40 HKAB Cc1sc2nc(COCC(F)(F)F)[nH]c(=O)c2c1-c1ccc(Cl)cc1Cl 84026875 FNSFPPKWNGIKTK-UHFFFAOYSA-N 423.243 5.346 0 40 HKAB CCOc1ccc(NC(=O)N2CCC(CSc3ccc(OC)cc3)CC2)cc1 90608285 UTZRPKZQSTYFJS-UHFFFAOYSA-N 400.544 5.130 0 40 HKAB O=C(Nc1cccc2c1CCCC2)c1ccc(Br)cc1Br 98073264 YVZGYYVRFVNSGM-UHFFFAOYSA-N 409.121 5.343 0 40 HKAB O/C(=C\Sc1nnc(COc2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1 100053727 BSRMKTNCOFYCIX-ZROIWOOFSA-N 413.257 5.743 0 40 HKAB C[C@@]12CC3CC(C(=O)NC(=S)Nc4ccc(Br)cc4)(C1)C[C@@](C)(C3)C2 100736595 JSDQVDJKXLHASM-LEVRYPNCSA-N 421.404 5.259 0 40 HKAB CC(C)c1ccccc1NC(=O)CN1C(=O)CC(c2ccccc2)=Nc2ccccc21 101354157 KYZFGYIVSPJVDE-UHFFFAOYSA-N 411.505 5.306 0 40 HKAB CC(C)(C)c1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)cc1 102076636 ZGCLRGHZIOQNLH-QALHXSLCSA-N 413.517 5.334 0 40 HKAB C[C@H]1CC2=NC(Nc3nc4ccccc4s3)=N[C@@H](c3cc(F)cc(F)c3)C2=C(O)C1 102675764 RLSVXQWELKLIDB-YBTHPKLGSA-N 424.476 5.780 0 40 HKAB CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@@H](NC(=O)OCC1c3ccccc3-c3ccccc31)C2 217615832 CAJUEVWERQYXKM-MZBJOSPHSA-N 419.521 5.195 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)NC(C)(C)C)cc1 223306290 OEHINYOHYDKFPC-DEOSSOPVSA-N 422.613 5.212 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1C1CCCC1 225025779 SKDUNOPYXNMIDV-YADHBBJMSA-N 421.591 5.741 0 40 HKAB CC(C)c1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)cc1 225340086 AACJGDLYYKLAFG-UHFFFAOYSA-N 413.439 6.337 0 40 HKAB C[C@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)C1 225534201 NCYUACLXDJQWKA-QFIPXVFZSA-N 420.597 5.638 0 40 HKAB Cc1ccc([C@@H](C)C(=O)NC[C@H]2CC[C@H](c3ncncc3-c3ccncc3)CC2)cc1 257240138 HSEKSXPSXKBSQN-TXTKFYIRSA-N 414.553 5.041 0 40 HKAB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1cccc(F)c1 408561138 GTHYDINUWZLHEF-QOCHGBHMSA-N 419.319 5.188 0 40 HKAB Cc1ccc2nc(NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)sc2c1 408977787 FOOZNCBEZRVHML-HXUWFJFHSA-N 415.518 5.105 0 40 HKAB CCc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)cc1 409104265 CDQPSBCHIZNYCB-UHFFFAOYSA-N 414.534 5.228 0 40 HKAB Cc1cccc(C2=N/C(=C/c3cccc(OCc4cccc5ccccc45)c3)C(=O)O2)c1 409182786 NZIXNLJMNUDHQW-YZSQISJMSA-N 419.480 6.072 0 40 HKAB CCCc1ccc(OCc2nc(CC(C)C)c(-c3ccccc3F)cc2C(=O)O)cc1 585265319 LLJUADJAOZPCPC-UHFFFAOYSA-N 421.512 6.316 0 40 HKAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(-c3ccc(F)cc3F)ccc21 643550768 IDGAWEQVCUXUTD-UHFFFAOYSA-N 414.540 6.159 0 40 HKAB Cc1cccc(C(=O)N2CCCCCOc3ccccc3Oc3ncccc3C2)c1C 643566916 ZMJYYPOVIRXYMG-UHFFFAOYSA-N 416.521 5.696 0 40 HKAB CCc1cccc(NC(=O)c2sc3nc(-c4ccc5c(c4)OCO5)ccc3c2N)c1 661440 VEHHSWLUGUBHJE-UHFFFAOYSA-N 417.490 5.089 0 40 HKAB CC[C@H]1CCc2c(sc(NC(=O)c3c(-c4ccccc4)noc3C)c2C(=O)OC)C1 673006 WSXGZXUHMCMJMI-AWEZNQCLSA-N 424.522 5.265 0 40 HKAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)c1cccs1)c1ccccc1F 1376089 OGRJMVJMKDZUCW-QFIPXVFZSA-N 422.525 5.334 0 40 HKAB Cc1cccc2cc(CN(CCc3ccccc3)C(=O)Nc3ccccc3)c(=O)[nH]c12 1378218 OUHKDJIOHRAYCX-UHFFFAOYSA-N 411.505 5.113 0 40 HKAB O=c1c2ccccc2nc2n1[C@@H](CSCc1ccc(Cl)cc1Cl)CS2 1405484 JOJFFPDDUBHMPN-ZDUSSCGKSA-N 409.363 5.284 0 40 HKAB Cc1sc2ncnc(SCC(=O)c3ccc4c(c3)OCO4)c2c1-c1ccccc1 1465498 SIWRWRDWSLONGJ-UHFFFAOYSA-N 420.515 5.370 0 40 HKAB CCCCCOC(=O)CSc1nc(N)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3 1904083 KSHFTTNJLPZHDQ-ZDUSSCGKSA-N 421.632 5.250 0 40 HKAB CCc1ccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1 2125197 PSKQASISEWJKNT-UHFFFAOYSA-N 411.501 5.611 0 40 HKAB biogenic Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(c1ccccn1)C3=O 2403191 OAAAXMQTZBPDTE-QHCPKHFHSA-N 410.473 5.370 0 40 HKAB O=C(c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F)C(Cl)(Cl)Cl 2510276 WLQMFVQUWGTSSW-UHFFFAOYSA-N 419.532 5.122 0 40 HKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1(c2ccccc2)CCCC1 2512611 PWCSMXUNIORBGI-UHFFFAOYSA-N 401.350 6.175 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3cccc(C)c3)n2)cc1Br 2594379 ATVLHPYHWMBSOI-UHFFFAOYSA-N 403.301 5.142 0 40 HKAB O=C(CSc1nc(-c2cccs2)n[nH]1)N(C1CCCCC1)C1CCCCC1 2653228 IFLVVNYTPOKGQJ-UHFFFAOYSA-N 404.605 5.119 0 40 HKAB CC(C)(C)c1cc([C@@H](c2ccc(Cl)cc2)N2CCCCC2)cc(C(C)(C)C)c1O 2667958 XBYYHVRHEKKRLT-HSZRJFAPSA-N 414.033 7.216 0 40 HKAB CCc1ccc(NC(=O)Nc2cccc(NC(=O)Nc3ccc(CC)cc3)c2)cc1 3074918 XGWQXHSPJBJSGB-UHFFFAOYSA-N 402.498 6.099 0 40 HKAB O=C(COc1ncnc2ccccc12)Nc1ccccc1Sc1ccc(Cl)cc1 3277456 YJZXWEVCRUOWFQ-UHFFFAOYSA-N 421.909 5.452 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1 3292178 GPQIDTLVMKBCRV-GOSISDBHSA-N 403.478 5.788 0 40 HKAB CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)cc1 4033284 NUXHWOZRICJENT-QFIPXVFZSA-N 409.533 5.362 0 40 HKAB COc1cccc([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)c1OC 4117071 ACZDMZXUXRUYPL-MHZLTWQESA-N 423.512 6.137 0 40 HKAB CC(C)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)/C=C/c2ccccc2)cc1 4732503 OTHPTIFLZNLTGD-NTCAYCPXSA-N 423.520 5.429 0 40 HKAB CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3c(F)cc(F)cc3Br)c2C1 4881322 UMDCEPMWPJGAHA-VIFPVBQESA-N 413.262 5.119 0 40 HKAB CCc1nc(NCC[C@@H](Cc2ccccc2)c2ccco2)c2oc3ccccc3c2n1 5148460 NINGHPNTAPQAKU-IBGZPJMESA-N 411.505 6.360 0 40 HKAB CC(=O)Oc1ccccc1C1=NN(C(=O)/C=C/c2ccccc2)[C@@H](c2ccccc2)C1 5176753 NBHUZZWIEJRLIX-GQRCBVMOSA-N 410.473 5.003 0 40 HKAB O=C(Nc1sc2ccccc2c(=O)c1-c1cccc(Cl)c1)c1ccc(F)cc1 5347831 CCDROEJEGKDZAD-UHFFFAOYSA-N 409.869 5.973 0 40 HKAB CCCCN1C(=O)S/C(=C\c2ccccc2OCc2ccccc2Cl)C1=O 5552396 HPHQVSXEEFYEPI-UYRXBGFRSA-N 401.915 5.755 0 40 HKAB Cc1sc2ncnc(SCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)c2c1C 5560131 XSQNLVRLGFLGKN-XSXQVXRUSA-N 415.628 5.121 0 40 HKAB Clc1ccccc1/C=C1\CCCc2c1nc1ncnn1c2-c1ccccc1Cl 5603164 UJPKRDZKWMNRMK-NTCAYCPXSA-N 407.304 5.975 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 6245024 FMTIDYRSJZNUCS-UHFFFAOYSA-N 419.937 5.871 0 40 HKAB CC(C)CN(CC(C)C)C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 6537537 YJOCKFKDSLYSSC-UHFFFAOYSA-N 415.534 5.017 0 40 HKAB Cc1ccc(-c2c(NC(=O)CN3CCC[C@@H](C)C3)oc3ccc(Cl)cc3c2=O)cc1 6754884 VNIYDRWIJPYSKT-MRXNPFEDSA-N 424.928 5.092 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)cc1 7073016 AAINAEASRNFQGR-QGZVFWFLSA-N 409.913 6.663 0 40 HKAB Cc1sc2ncnc(Sc3nc(-c4ccccc4)nc4ccccc34)c2c1C 7780511 GEFJSSLMBRNURC-UHFFFAOYSA-N 400.532 6.070 0 40 HKAB Cc1cccc(-c2noc(CN(C)C(=O)c3ccccc3CCc3ccccc3)n2)c1 7780755 AHKBPSHXZQHRPP-UHFFFAOYSA-N 411.505 5.102 0 40 HKAB CC[C@H](C)c1ccc(OCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1 8737913 QRRHVNBZWWIWCV-ZDUSSCGKSA-N 416.934 5.928 0 40 HKAB Cc1ccc(-c2csc(Cc3nc(-c4ccc5c(c4)[C@H](C)C(=O)N5)cs3)n2)cc1 8745523 XXEZSOANZFQUFY-AWEZNQCLSA-N 417.559 5.888 0 40 HKAB C[C@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 9514581 JXBQJYCTSDQFGV-SFHVURJKSA-N 415.493 5.045 0 40 HKAB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3C)c2C)cc1 9525778 BTEXCRIBNYFLOJ-UHFFFAOYSA-N 424.500 5.623 0 40 HKAB CCN(C(=O)c1ccccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 9606832 BLVRWJMGZYPRSB-UHFFFAOYSA-N 421.747 5.893 0 40 HKAB CCSc1ccc(CC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 10252450 YSVHXQBCJFBHKU-UHFFFAOYSA-N 414.552 5.121 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1 10314915 PGXXJNCSWBJUER-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB O=C(NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1)c1ccccc1F 12257200 OTIHMMPVOKPKEX-UHFFFAOYSA-N 424.479 5.152 0 40 HKAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(-c2nc3ccccc3s2)s1 12378203 AMKVACRYUREKCA-UHFFFAOYSA-N 419.556 6.401 0 40 HKAB Cc1c(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)[nH]c2c1C(=O)CC(C)(C)C2 12599174 SKNYCDZXLHGMCD-MRXNPFEDSA-N 407.539 5.065 0 40 HKAB Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC(F)F)cc2)cc1 12617477 RDTHNYVLAMQGSM-IFMALSPDSA-N 410.395 5.669 0 40 HKAB CCOc1cc(C(=O)N2CCCSc3ccccc32)cc(OCC)c1OCC 12812814 YRRWBKWPALFJSU-UHFFFAOYSA-N 401.528 5.025 0 40 HKAB Cc1c(CSc2nnc(-c3ccccc3F)n2C2CC2)noc1-c1ccc(F)cc1 13120251 LOARFLPSCUANCG-UHFFFAOYSA-N 424.476 5.814 0 40 HKAB CN(Cc1ccccc1)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 13284059 SUKZMYOUEROBNF-VWLOTQADSA-N 402.925 5.721 0 40 HKAB O=C(CSc1nnc(-c2cccs2)c(-c2cccs2)n1)c1ccc(F)cc1 13566450 NUZZOXPTNBMFBW-UHFFFAOYSA-N 413.524 5.443 0 40 HKAB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 13842658 HWCKQYOQMFLLPY-UHFFFAOYSA-N 424.570 5.040 0 40 HKAB O=C1C2=C(CCCC2)[C@H](NC2CCCCCCCCCCC2)N1Cc1ccccc1 13898340 ACYBWKOVTBJQAQ-AREMUKBSSA-N 408.630 6.488 0 40 HKAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)N(C1CC1)C(c1ccccc1)=N2 14017549 XUAXIACJGKLHHN-RUZDIDTESA-N 404.517 5.826 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CN1Cc1ccccc1 14095567 SHYBAVXAWDGFTM-JOCHJYFZSA-N 401.554 5.523 0 40 HKAB COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)Cc2cccs2)cc1 14608008 PJBMMRHTWBQOEF-JOCHJYFZSA-N 403.507 5.035 0 40 HKAB Cc1ccc2oc(C(=O)Nc3nc(-c4ccc(Br)o4)ns3)c(C)c2c1 15859965 NRTQBYDXPRTKTO-UHFFFAOYSA-N 418.272 5.176 0 40 HKAB CC(C)Sc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 15883830 JPYDDZJOMSLYEX-UHFFFAOYSA-N 404.560 6.716 0 40 HKAB CC(C)(C)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 17093807 POJSPGKWNGHJSG-UHFFFAOYSA-N 424.353 5.105 0 40 HKAB O=c1cc(O)c2sc3nc(C45CC6CC(CC(C6)C4)C5)cc(C(F)(F)F)c3c2[nH]1 17147048 IUGSRUNHUVSORL-UHFFFAOYSA-N 420.456 5.330 0 40 HKAB COc1ccc(CN2C(=O)CS[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 17198416 POXOLTVBAWVGHT-XMMPIXPASA-N 405.519 5.048 0 40 HKAB Cc1cccc(C)c1Nc1nc(-c2ccccc2)c2cc(Br)ccc2n1 18119049 BCYKZSDECKCYMS-UHFFFAOYSA-N 404.311 6.420 0 40 HKAB COc1cccc(C(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c1OC 19691503 NBYDCOTWIJJCQW-QFIPXVFZSA-N 420.484 5.191 0 40 HKAB CCN(C/C(C)=C/c1ccccc1)[C@@H]1CCO[C@H](c2ccc(C(=O)NC(C)C)cc2)C1 19712708 HIFUZLJBFGKOFC-VIILDYQGSA-N 420.597 5.470 0 40 HKAB Cc1ccc(-n2nc3ccc(NC(=O)COc4c(C)cc(C)cc4Cl)cc3n2)cc1 20610003 VPGUUTXDGLGTKI-UHFFFAOYSA-N 420.900 5.017 0 40 HKAB Cc1ccnn1-c1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 23011724 HMTOUKJVPIFSKW-UHFFFAOYSA-N 411.465 5.077 0 40 HKAB C[C@@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccccc1Cl 24586458 IYJPJGKXLASQQK-MRXNPFEDSA-N 405.885 5.058 0 40 HKAB Cc1ccc(Cn2nc(C)c(CNCc3ccc(OC(F)(F)F)cc3)c2C)cc1 24972063 WOAUNZBXPMTXIE-UHFFFAOYSA-N 403.448 5.045 0 40 HKAB CC(=O)Nc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)ccc1F 25511439 ARIZISYFYWNEFC-UHFFFAOYSA-N 417.415 5.391 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccccc2-c2nc(-c3cccs3)no2)cc1 32622277 XHQURCKWLWKBSW-UHFFFAOYSA-N 405.479 5.045 0 40 HKAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(OCc2ccccc2)cc1 33667385 BCVMZDAQJVZPBO-UHFFFAOYSA-N 420.940 6.162 0 40 HKAB CC[C@@H]1CCc2c(c(-c3cccc(O)c3)nc3c(-c4ccc(Cl)cc4)cnn23)C1 35325627 LTEKHBYGQXFXLK-OAHLLOKOSA-N 403.913 5.937 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)c(C)c1 38756181 IDAJCJFJTIZVIP-MRXNPFEDSA-N 418.375 5.620 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 38834402 PTMVOFQIACKCIU-FQEVSTJZSA-N 420.940 5.983 0 40 HKAB O=C(CCc1ccc(-c2ccccc2F)o1)Nc1cccc(C(=O)N2CCCCC2)c1 40155979 JVPYLUHNNPGXAU-UHFFFAOYSA-N 420.484 5.283 0 40 HKAB CC(=O)Nc1ccc(Nc2cc(C)nc3c(C)c(-c4cccc(Cl)c4)nn23)cc1 40216699 RFPBZBSXBABASS-UHFFFAOYSA-N 405.889 5.369 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccc(Br)cc2)[nH]n1 44837410 RJDKBXCNEHZPJO-UHFFFAOYSA-N 411.086 5.398 0 40 HKAB C[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 44934031 AREAQPWKKBKVBK-YOEHRIQHSA-N 409.332 5.222 0 40 HKAB CCOc1ccc(-c2nc3c(Br)c(N)c(Br)cc3o2)cc1 57326867 YLJGFZUNDUBRDM-UHFFFAOYSA-N 412.081 5.001 0 40 HKAB Cc1ccc(-c2ccsc2C(=O)NCc2ccc(OCc3cccnc3)cc2)cc1 58953530 FCBDNOUQUXSFRT-UHFFFAOYSA-N 414.530 5.628 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3cc(C)n(-c4cccnc4)c3C)sc2C)cc1 59853601 NBTBBUIQAQIUDD-UHFFFAOYSA-N 418.522 5.182 0 40 HKAB CCc1ccc(-n2cc(-c3nc(-c4ccc(C)c(C)c4)no3)c3ccccc3c2=O)cc1 67245346 ITBNCWLHZDTMIR-UHFFFAOYSA-N 421.500 5.887 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)c(Cl)c2)cc1 67297676 GBZDNVKOABIVOI-VYIQYICTSA-N 422.843 5.719 0 40 HKAB CCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(C(F)(F)F)cc2)s1 71326555 UDJCPTJKXVOQTM-UHFFFAOYSA-N 419.472 5.706 0 40 HKAB CCOc1cc(CNc2ccc(C(=O)O)cc2)ccc1OCc1ccc(Cl)cc1 95472049 SEKSEENZCGTXSE-UHFFFAOYSA-N 411.885 5.628 0 40 HKAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N[C@@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)c12 101551677 JFULHIBXQNDSLL-GIOGAUJUSA-N 414.553 5.161 0 40 HKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102636780 AIAACAPGUYHRFB-BZDHPDOMSA-N 418.968 6.418 0 40 HKAB CCOc1cc(C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 107656984 FASZFBWBIWTFFL-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1)[C@@H]2O 118916424 FDGCFEWJEHAVJT-ALUNSLKMSA-N 413.001 6.018 0 40 HKAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 222449999 KFLOUBLBVFHAIB-VWLOTQADSA-N 422.613 5.383 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3c(OC)ccc4ccc(OC)cc34)N21 222652245 TUBNMWJDQIQYRE-UZFJHSOTSA-N 419.550 5.231 0 40 HKAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCc1cccc2ccccc12 222680464 YNYKNABZIBRZAB-UHFFFAOYSA-N 405.885 5.134 0 40 HKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H](CC)Oc1ccc(C(C)(C)C)cc1 222919153 FLCVIXQSFDXTQX-HTAPYJJXSA-N 410.558 5.309 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3cc4ccccc4nc3s2)CC1 223132789 GKCMFLCLIZRHPA-UHFFFAOYSA-N 421.953 5.374 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)/C(=C/c1ccccc1Cl)c1ccccc1 223423443 LNDMGHNSEJEFSJ-XQNSMLJCSA-N 423.899 7.419 0 40 HKAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C 224364349 LRALFZMDOAFQJQ-DNQXCXABSA-N 418.610 5.820 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1ccccc1 224364582 AHWYTCMRFNMQAO-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 224901156 BJJZQEJXDJIXNT-HBVBNRCBSA-N 416.521 5.263 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225266942 LNFNYPZUQSQEPQ-UHFFFAOYSA-N 416.695 6.442 0 40 HKAB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)Nc1cccc2ccccc12 225337877 DTRDAPFNBBDRQR-UHFFFAOYSA-N 421.525 6.207 0 40 HKAB CC1(C)COc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)cc2OC1 225362122 URIGWLBLULVPRQ-UHFFFAOYSA-N 405.519 5.888 0 40 HKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=S)Nc1ccc(Cl)cc1 225465700 DMLBAUASQBBOFA-UHFFFAOYSA-N 419.333 6.603 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C(=O)OC 225679846 CIVBLHDQNNUCOV-GOSISDBHSA-N 409.526 5.409 0 40 HKAB CCc1nnc2sc(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)nn12 226298407 FAKLFKPWHUPIBM-UHFFFAOYSA-N 405.310 5.301 0 40 HKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260817015 UKOKJOCKLRONSK-RDPSFJRHSA-N 404.595 5.111 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)c1 408576479 VYYDPLVIERLZFI-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB Fc1ccc(CNC(=S)c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408578362 XTMBZIISZVRAAS-UHFFFAOYSA-N 420.336 6.177 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(F)cc2)cc1Cl 408696790 BVXRORCJURLZRG-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2ccc(Cl)cc2)c1 408698616 ORCNCIZYYLQNAA-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCCN1C(=O)S/C(=C\c2cn(Cc3ccccc3)c3c(CC)cccc23)C1=O 409140124 QAFYULJGYXUQEM-STZFKDTASA-N 404.535 5.698 0 40 HKAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 2037846372 OTLNXUXVHAISDV-JOCHJYFZSA-N 421.447 5.392 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3c(F)c(F)cc(F)c3F)c3ccccc3n2)o1 673590 FIECXAOODLKNDM-UHFFFAOYSA-N 400.331 5.612 0 40 HKAB CC1(C)C[C@@]2(C[C@H](c3ccccc3Cl)Oc3cc(O)c(Cl)cc32)NC(=S)N1 1065284 PMUHCWYQISFPNP-YLJYHZDGSA-N 423.365 5.065 0 40 HKAB Cc1ccc(-c2nc(NC(=O)COc3ccc(C)cc3C(C)(C)C)sc2C)cc1 1771039 AUYPSLMKBNXIQO-UHFFFAOYSA-N 408.567 6.050 0 40 HKAB Cc1ccc(-n2c(SCCc3ccccc3)nc3sc(C)c(C)c3c2=O)cc1C 2143234 KIUBLRCODFHDMX-UHFFFAOYSA-N 420.603 6.016 0 40 HKAB Cc1ccccc1[C@@H]1C=C(c2ccc(Br)cc2)Nc2nc3ccccc3n21 2917780 CAKZBIZTNJCKKG-QFIPXVFZSA-N 416.322 6.163 0 40 HKAB Fc1ccc(CCNc2nc(CN3CCCCC3)nc3sc4c(c23)CCCC4)cc1 3289033 GTQOZRNWKLCLJG-UHFFFAOYSA-N 424.589 5.350 0 40 HKAB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)N[C@@H](C)c1ccc(F)cc1 3457400 WTTNNYVIQCXPET-UWVGGRQHSA-N 406.832 5.251 0 40 HKAB FC(F)(F)c1ccc(-c2noc(-c3cc(-c4ccncc4)nc4ccccc34)n2)cc1 3583588 AGRNHDGGSDSGDD-UHFFFAOYSA-N 418.378 6.033 0 40 HKAB Brc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 4361206 ATEUWZWKKFWGNX-XLIONFOSSA-N 411.324 5.753 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(C(=O)OC3CCCCCCCCCCC3)cc2)c1 4402236 VEWXYMVFRIQOAZ-UHFFFAOYSA-N 421.581 7.077 0 40 HKAB O=C(NCc1ccncc1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 4450205 JSCCSZCZIMJDCI-ZCWCFBJKSA-N 409.533 5.308 0 40 HKAB CCCCc1ccc(NC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 5120501 QWPCAYDIBSHRDP-UHFFFAOYSA-N 414.575 5.286 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 5172610 ABHDNLLRFQCCHJ-UHFFFAOYSA-N 404.491 5.541 0 40 HKAB COc1ccc(C(=O)Nc2c(-c3cccc(Cl)c3)c(=O)c3ccccc3n2C)cc1 5271499 MHACNEXGMGGODE-UHFFFAOYSA-N 418.880 5.120 0 40 HKAB Cc1nc(CSc2nnc(-c3ccccc3F)n2CCc2ccccc2)cs1 5326092 JAQWOXXXJZAQRW-UHFFFAOYSA-N 410.543 5.384 0 40 HKAB C[C@@H]1CCc2sc(-c3nnc(SCc4nnc(-c5ccccc5)o4)o3)cc2C1 7129463 HBRMSEPZIUEXRH-GFCCVEGCSA-N 410.524 5.265 0 40 HKAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)c(C)c1 7160891 QYXFOAUQRJLFMC-AWEZNQCLSA-N 419.472 5.693 0 40 HKAB COc1cc2c(cc1/C=C/C(=O)N1CCC[C@H]1c1nc3ccccc3s1)O[C@H](C)C2 7778044 PWRCQJFFXCOSSL-PMYSDTAASA-N 420.534 5.005 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cc(C)ccc4C)C3)cc2)cc1 7882262 AJKNFJSHPGHUOO-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 8041757 WTCWNALIMJOSNW-FQEVSTJZSA-N 405.563 6.310 0 40 HKAB S=c1n(CN2CCC[C@H]2c2cccs2)nc(Cc2cccs2)n1C1CC1 8114234 BBXAJTLIIKDHGJ-INIZCTEOSA-N 402.614 5.257 0 40 HKAB CCc1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(Br)c1 8200224 RRQDJPPIXQOYDB-UHFFFAOYSA-N 403.103 5.336 0 40 HKAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1 8255869 CNQPQVIJAFYLMI-GFCCVEGCSA-N 418.975 5.423 0 40 HKAB Cc1ccccc1NC(=O)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1 8590513 LAZHJUUXBSYESZ-UHFFFAOYSA-N 409.514 6.315 0 40 HKAB aggregator CCOc1ccc(-c2nc(CN3c4cccc5cccc(c45)S3(=O)=O)cs2)cc1 9128256 FFKKRDPIJQNTSZ-UHFFFAOYSA-N 422.531 5.071 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2n[nH]c3ccccc23)c1 9217715 ZAVXCZLKKAIKBX-UHFFFAOYSA-N 424.382 5.086 0 40 HKAB Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccco3)sc2c1 9448634 GYYBHURVDGBUMC-LJQANCHMSA-N 414.442 5.054 0 40 HKAB CC(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1 9515446 MXMWOLRBVCOLBJ-UHFFFAOYSA-N 401.491 5.115 0 40 HKAB CCOC(=O)c1ccc2nc(NC(=O)c3ccc(Oc4ccccc4)cc3)sc2c1 9639943 DYPYMNWROZCIST-UHFFFAOYSA-N 418.474 5.518 0 40 HKAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NCc4ccccc4Cl)c(C)c32)c1C 11867543 ZIBIZQJDBWEBDA-UHFFFAOYSA-N 423.896 5.285 0 40 HKAB Cc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(Cl)cc2)OC3=O)c1C 12274622 NOSNKLHVLWOWBR-QFIPXVFZSA-N 405.881 5.663 0 40 HKAB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(F)cc3)n3ccccc23)cc1Cl 12342104 UFTWURXESWPKTK-UHFFFAOYSA-N 421.859 5.106 0 40 HKAB COc1ccc2c(=O)c(Oc3ccc(C(=O)Nc4ccccc4C)cc3)coc2c1 12442380 MKHLKTAYCRBBQD-UHFFFAOYSA-N 401.418 5.155 0 40 HKAB biogenic O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(C2SCCS2)cc1 12551303 YRDWPDDQTILQKQ-UHFFFAOYSA-N 417.559 5.961 0 40 HKAB C[C@@H](N[C@H](C)c1cccc2ccccc12)C(=O)Nc1ccc(N2CCCCC2)cc1 12578464 LXCBYNFZXANPAE-WOJBJXKFSA-N 401.554 5.508 0 40 HKAB C[C@@H](NC(=O)COc1ccc(C2SCCS2)cc1)C12CC3CC(CC(C3)C1)C2 12821354 DJJNUAOWLBHKBB-LRYXAPPNSA-N 417.640 5.265 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1nc(SCc2ccccc2F)ncc1Cl 13624108 MQTRKHMPZBRJBC-UHFFFAOYSA-N 408.285 5.467 0 40 HKAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cc(C)ccc2C)o1 13750017 NIMCOMNKDCCMBJ-YOEHRIQHSA-N 405.564 5.591 0 40 HKAB NC(=O)c1c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCC2 16385974 DVKBDCQBGYYITK-UHFFFAOYSA-N 421.305 5.155 0 40 HKAB O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nc1nc2c(s1)CCCC2 16429664 DATUKWVUCZCLRC-UHFFFAOYSA-N 422.000 5.530 0 40 HKAB Cc1c(C(=O)c2ccc(Cl)cc2)oc2ccc(NC(=O)c3ccccc3F)cc12 16993225 YAQYQHHHFAGLHX-UHFFFAOYSA-N 407.828 6.017 0 40 HKAB biogenic CCCCc1ccc(-n2nc3ccc(NC(=O)c4cccc(C)c4OC)cc3n2)cc1 17089934 NDUIYMUQKOOKKK-UHFFFAOYSA-N 414.509 5.332 0 40 HKAB COc1ccc(OC)c(C(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c1 19691523 OSUXZQNUXMFPQK-QHCPKHFHSA-N 420.484 5.191 0 40 HKAB CC(C)c1ccc(/C=c2\sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1 20550221 ZBGJNDCISQVUJN-QJOMJCCJSA-N 422.553 5.761 0 40 HKAB CCOc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1 22075629 ADCHWFRDWXVFPI-JOCHJYFZSA-N 411.929 5.141 0 40 HKAB CCc1ccc(N(C(C)=O)c2nc(COc3cc(Cl)ccc3Cl)cs2)cc1 32836084 HLOOQYGMTHKVOT-UHFFFAOYSA-N 421.349 6.276 0 40 HKAB CC(C)c1ccc(NC(=O)[C@H]2CCCN(c3ncnc4c3oc3ccccc34)C2)cc1 33290460 PZVVNENIXVTVBM-SFHVURJKSA-N 414.509 5.355 0 40 HKAB CCn1nc(C)c2c(C(=O)N[C@@H](C)CCc3ccco3)cc(-c3ccc(C)cc3)nc21 36613469 RZLZTXPXYQCZGF-KRWDZBQOSA-N 416.525 5.079 0 40 HKAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N(Cc3ccccn3)C(C)C)c12 48273190 WSASMMJQKPVZOH-UHFFFAOYSA-N 407.562 5.064 0 40 HKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccsc2)cc1Cl 61997218 OCFKRBTTYSVHDP-UHFFFAOYSA-N 411.866 5.640 0 40 HKAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C1CCN(c2nc3ccccc3o2)CC1 72277186 RTWRGJPZMPDTNF-GGAORHGYSA-N 417.553 5.229 0 40 HKAB CCOCc1ccc(C(=O)N2CCC[C@@H](c3cc(-c4ccccc4)cc(C)n3)C2)cc1 72370028 BUAYEPMVIBSQMY-XMMPIXPASA-N 414.549 5.613 0 40 HKAB CCCCN(CC)C(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96037751 FXHQOKJRJWCBMK-UHFFFAOYSA-N 402.542 5.284 0 40 HKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@@H]1c1ccccc1 100429285 UXMSOTAOHFGXBS-ZBLYBZFDSA-N 408.501 6.257 0 40 HKAB Cc1cc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)cc(C)c1Br 102634577 CHHCHFDZBHHLJO-BHIYHBOVSA-N 412.327 5.139 0 40 HKAB O=C(OCc1cc(Cl)c2c(c1)OCCCO2)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103070763 RMMLKFKEPGENAD-VKFLQFAXSA-N 411.325 5.122 0 40 HKAB CCOc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1cccc(F)c1 107592932 KSTBFAGLVUBDGC-UHFFFAOYSA-N 421.965 5.864 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1C 224609127 ZAYOEOXWBWURKG-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C 225129021 AESQHFSMOGFTSH-RUZDIDTESA-N 420.597 5.102 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc3c(c2)OCCO3)cc1 225404337 DJZFAASUQQOQAU-UHFFFAOYSA-N 411.841 5.164 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 225528351 GZCHZYFLPXDZBO-UHFFFAOYSA-N 406.353 6.479 0 40 HKAB O=C(Nc1ccc(OCCCN2CCCC2)cc1)C1(c2ccc(F)cc2)CCCCC1 225548316 QDWXJIGGAOIZCL-UHFFFAOYSA-N 424.560 5.531 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)C(C4(C)OCCO4)=CC[C@H]32)C1 253612346 JYRJWVYVMVQZQS-GUIPAGCOSA-N 400.559 5.180 0 40 HKAB COc1cc(C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 408554623 SIFZTUAZNGVBRK-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc2)c1C 408646667 UBEWEXDNUCHJGZ-OAQYLSRUSA-N 414.505 5.083 0 40 HKAB CCOc1ccc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)c2ccccc12 408818346 XQUOLHXIQBOFOS-UHFFFAOYSA-N 423.945 5.963 0 40 HKAB O=C(CCSc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1 408870473 FCPRVEUHXCKEAL-UHFFFAOYSA-N 400.396 5.525 0 40 HKAB COc1ccc(Nc2nc3c(s2)CCc2c(Br)ccc(OC)c2-3)cc1 408897117 VUDHYIXGIMEOCK-UHFFFAOYSA-N 417.328 5.432 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc3c4c(cccc14)CC3)N2 408994759 IPQDLLTVOSEUJY-SAAIGDAKSA-N 417.508 6.108 0 40 HKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCCCc2ccccc2)cc1 409096155 JNVLAIVKKWYFOI-UHFFFAOYSA-N 413.590 6.145 0 40 HKAB CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c2ccccc21 409113783 NXPDTNDSZYUVFN-STZFKDTASA-N 419.908 5.835 0 40 HKAB CC(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1 409346950 LUSJVRFQSMXQGV-FYJGNVAPSA-N 422.550 5.608 0 40 HKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2C)c1 409382642 WIIDNQHIHRSFMK-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CC[C@H]1C(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H](C)CCC(=O)O)[C@]3(C)CC[C@H]2[C@]2(C)CC[C@H](O)C[C@H]12 1542980462 LHSZAKRHUYJKIU-OWPJYPPFSA-N 418.618 5.322 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nnc2c(C)cc3ccc(C)c(C)c3n12 903127 RJUSTWYRVNDXKZ-UHFFFAOYSA-N 404.539 5.155 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 1358434 GSIPQYQQGZGNOM-LBPRGKRZSA-N 422.838 5.647 0 40 HKAB O=C(Nc1cccc(Cc2cccc(NC(=O)c3ccccc3)c2)c1)c1ccccc1 1622749 RBXOFMVKHHBLOJ-UHFFFAOYSA-N 406.485 5.782 0 40 HKAB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccccc1Cl 2057193 APPRBSLWSQZQIH-UHFFFAOYSA-N 403.981 6.755 0 40 HKAB COc1ccc([C@@H]2OC[C@@]3(COC(=O)c4ccccc4)[C@@H](C)C=C(C)[C@H]2[C@H]3C)cc1 2126696 VGRINMHUNLQXBU-IWHPYECRSA-N 406.522 5.458 0 40 HKAB biogenic O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(N2CCCCC2)c(Cl)c1 2138390 FESDUJXZYKTQRV-WEVVVXLNSA-N 409.744 6.289 0 40 HKAB CC(C)c1ccccc1OCCNC(=O)c1ccccc1SCc1ccccc1 2190536 GWMVXYIHMUTSLF-UHFFFAOYSA-N 405.563 5.911 0 40 HKAB CCCCN(CCCC)c1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 2297450 YNKRXLGXJNJUGB-UHFFFAOYSA-N 410.631 6.648 0 40 HKAB Cc1oc2cc(OCc3ccc(Cl)cc3)ccc2c(=O)c1-c1ccc(Cl)cc1 2429200 RAXOZZHFKNOMHZ-UHFFFAOYSA-N 411.284 6.654 0 40 HKAB biogenic Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCc1c[nH]c2ccccc12 2549724 VNRFZVOVSZLBBW-UHFFFAOYSA-N 414.292 5.411 0 40 HKAB Cc1c(-c2ccc(Cl)cc2Cl)c(=O)oc2c(Cl)cc(Br)cc12 2581717 QLDJLQDKCIBZFP-UHFFFAOYSA-N 418.501 6.491 0 40 HKAB biogenic O=C(Cc1cccs1)N(c1ccccc1)C1(C(=O)NC2CCCC2)CCCCC1 3626008 LAPUVIAQSRIPHM-UHFFFAOYSA-N 410.583 5.086 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2F)cc1 3655291 KHQQXXSXKLAUDK-UHFFFAOYSA-N 403.409 5.129 0 40 HKAB C1=C(c2ccccc2)N2N=C(c3ccccc3)O[C@@]23CCCC[C@@H]3[C@H]1c1ccccc1 4422372 ZJXHXEHIKDXOSE-INNMJMHTSA-N 406.529 6.405 0 40 HKAB Cc1sc2c(c1C)C(=O)N[C@@H](c1ccc(OC(=O)c3ccc(Cl)cc3)cc1)N2 4502007 IYZAMURHLJOVIC-GOSISDBHSA-N 412.898 5.092 0 40 HKAB CC[C@H](C)C(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)[C@H](C)CC)c2ccccc21 4591587 WYDOYBRGEXKRFI-XUJKJYMVSA-N 406.570 5.978 0 40 HKAB CCCCn1c(-c2ccc(OCC)cc2)cnc1NCc1c(F)cccc1Cl 4679428 BGENTQBVVWCQJY-UHFFFAOYSA-N 401.913 6.154 0 40 HKAB CC(C)c1nc(SCC(=O)OC2CCCCC2)c2c3c(sc2n1)C[C@@H](C)CC3 4847493 MIRJRUGZZZIFPD-AWEZNQCLSA-N 418.628 5.908 0 40 HKAB CC(=O)NCCc1nc2ccccc2n1CCCCOc1cc(C)ccc1C(C)C 5235823 ZWIPOUPVFQXIOM-UHFFFAOYSA-N 407.558 5.006 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccccc3)oc3ccc(Cl)cc3c2=O)cc1 5265869 PJXAJDOYPXDORF-UHFFFAOYSA-N 405.837 5.374 0 40 HKAB C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)c1c[nH]c2ccccc12 5866579 FZKRZXSCTJYLSS-HNNXBMFYSA-N 420.538 5.888 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cc(NC(=O)Nc3ccccc3)ccc2C)c(C)c1 5882155 VTPNPHZKZZXTSB-UHFFFAOYSA-N 409.511 5.057 0 40 HKAB Cc1ccc(O)c(C(=O)CCCCCCCCCCC(=O)c2cc(C)ccc2O)c1 5927220 QMLGWLWLAQDYSU-UHFFFAOYSA-N 410.554 6.681 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(Cl)c(Cl)c1 6281237 FUPKGPPLCGLIDP-UHFFFAOYSA-N 413.329 6.831 0 40 HKAB COc1ccc(C)cc1-n1c(SCC(=O)C(C)(C)C)nnc1-c1cccs1 6331681 FEHMDAMWAZWDCQ-UHFFFAOYSA-N 401.557 5.020 0 40 HKAB CCCOc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(OC)cc32)cc1 6500714 SWKHKFXOTUNPKD-UHFFFAOYSA-N 403.457 5.057 0 40 HKAB COc1ccc(NC(=O)Cn2c(SCC(C)C)nc3ccccc32)cc1Cl 6650492 IRPFGGDAQAVTTF-UHFFFAOYSA-N 403.935 5.085 0 40 HKAB CCC(=O)N1c2ccccc2[C@@H](N(C(=O)Nc2ccccc2)c2ccccc2)C[C@H]1C 6759020 HWWPGHGGWNLTCF-DVECYGJZSA-N 413.521 6.002 0 40 HKAB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)Nc1ccc(F)cc1F 6829696 WYABIVACHMNWIW-UHFFFAOYSA-N 407.445 5.306 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 6940259 PCGMYJJAVWMFHR-KRWDZBQOSA-N 400.950 5.861 0 40 HKAB C[C@@H](C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1)N(C)Cc1cccs1 7664193 LJEKPYDLOYDGHE-INIZCTEOSA-N 421.591 5.408 0 40 HKAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(N2CCCCCC2)cc1 8146612 NBOOIIPOHDCRSF-UHFFFAOYSA-N 422.960 5.526 0 40 HKAB COc1ccc(OC)c([C@H]2CCCN2c2nc(-c3cccnc3)nc3ccccc23)c1 8156180 VBCMQVPULLODMP-JOCHJYFZSA-N 412.493 5.051 0 40 HKAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)N[C@H](C)CCc4ccco4)c(C)c32)c1C 8765018 UVNIMTQEQAFQGY-CQSZACIVSA-N 421.493 5.046 0 40 HKAB biogenic CC[C@@H](C)c1ccccc1OCc1nnc(NC(=O)Nc2ccc(F)cc2)s1 8914823 OFVZEXQRSPTKJQ-CYBMUJFWSA-N 400.479 5.414 0 40 HKAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)Nc1ccc(F)cc1Cl 8943966 YULAJQLXMGJKNG-JTQLQIEISA-N 416.865 5.130 0 40 HKAB CC[C@@]1(C)N=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)C(c2ccccc2)=N1 9599228 OVPUMXOPHAGRBX-HXUWFJFHSA-N 420.365 5.693 0 40 HKAB CCc1cc(Br)c2oc(-c3ccc(NC(=O)C(C)(C)C)cc3)nc2c1 10119750 GCFKOJNIGAVNHA-UHFFFAOYSA-N 401.304 5.804 0 40 HKAB CCCN(CCC)P(=O)(/C=C(\Cl)c1ccccc1)/C=C(\Cl)c1ccccc1 12575164 KYMRQWADFKWTHC-SVJWQLCWSA-N 422.336 7.861 0 40 HKAB COc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1Br 12787322 ZRIQEWOLFHGSJW-UHFFFAOYSA-N 422.369 5.423 0 40 HKAB CCC[C@H](C)NC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 13042420 KWQAKBQOMBFVDX-AWEZNQCLSA-N 420.340 5.227 0 40 HKAB CCOC(=O)c1ccc(NCc2nc3ccccc3n2Cc2ccccc2F)cc1 13540785 DONNKEVWLHAFPC-UHFFFAOYSA-N 403.457 5.013 0 40 HKAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 13685616 DCTHQHQZCGBYOK-SJORKVTESA-N 422.912 5.237 0 40 HKAB Cc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)C[C@H](c1cc(F)cc(F)c1)C3 14163821 FMSRMISVIRZSPH-OAHLLOKOSA-N 407.395 5.035 0 40 HKAB N=C1NC(=O)S/C1=C\c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 16754183 ZNYJQSOSHHMUQS-IQDKPADRSA-N 424.529 5.817 0 40 HKAB O=C(NC(=S)Nc1ccccc1Br)c1cccc2c(Cl)cccc12 17091990 DSBQOFBCTJVANO-UHFFFAOYSA-N 419.731 5.383 0 40 HKAB Cc1cc(C(=O)N2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)sc1C 19124708 ARZSZIFPHXYHNR-ZDUSSCGKSA-N 405.470 5.167 0 40 HKAB Cc1ccc(C)c(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 19973524 QKSTUSKTEAIDOF-UHFFFAOYSA-N 415.606 5.407 0 40 HKAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20038383 PUFWHATVTMVYBN-XMMPIXPASA-N 402.494 5.619 0 40 HKAB CCN(C(=O)CSc1nnc(-c2ccc(C)c(C)c2)o1)c1nc2ccccc2s1 20067110 ZKJJXLOTKNVXJL-UHFFFAOYSA-N 424.551 5.108 0 40 HKAB COc1ccccc1CN(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 21328708 GQHONKCOOILXNX-UHFFFAOYSA-N 419.308 5.248 0 40 HKAB O=C(CSCc1ccc(Cl)cc1)Nc1nnc(SCc2ccccc2)s1 21356652 QUCNRQXUGRXPCY-UHFFFAOYSA-N 422.000 5.356 0 40 HKAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N2CCCCC2)c(F)c1 21576466 WXOPMDVTLIMKEN-UHFFFAOYSA-N 411.304 5.449 0 40 HKAB Cn1cc(C(=O)Nc2ccccc2Sc2ccccc2)c(=O)c2cc(F)ccc21 22236467 GPZLGWBHTSKKPY-UHFFFAOYSA-N 404.466 5.081 0 40 HKAB CCOc1ccccc1C(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27990101 DDNQOFQYNVQMGG-QFIPXVFZSA-N 414.505 5.137 0 40 HKAB O=C(NCCc1ccc(Cl)cc1)c1ccccc1SCc1cn2ccccc2n1 32765641 DPYQHJASTQYSBG-UHFFFAOYSA-N 421.953 5.253 0 40 HKAB CCCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1 33000572 WMLRMNVEBWYUPE-UHFFFAOYSA-N 417.531 5.295 0 40 HKAB Fc1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 33625160 RBXLXPAHENRLEG-KXENESABSA-N 400.472 6.766 0 40 HKAB COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)Nc1ccccc1C 35289727 PWOBHEGJVHPTDA-UHFFFAOYSA-N 411.933 5.494 0 40 HKAB C[C@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)Nc1ccc(F)cc1F 36396205 BTXQYJVGIZRQFP-AWEZNQCLSA-N 410.424 5.048 0 40 HKAB Cc1c(C(=O)Nc2ccc(F)cc2)nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn12 40385029 VLMXKIUTYBYNQS-UHFFFAOYSA-N 423.879 5.268 0 40 HKAB CCc1nn2c(ncc3c(=O)n(C4CCCCCC4)ccc32)c1-c1ccc(Cl)cc1 40397469 DBBZSRABKGRXIM-UHFFFAOYSA-N 420.944 5.822 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)oc2Sc2ccc(C)cc2)cc1 41154451 ZKIINNIOCXJHDJ-UHFFFAOYSA-N 414.530 6.670 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2ccc(Br)cc2)[nH]n1 44837414 WTCBQDMBGYOYBZ-UHFFFAOYSA-N 411.086 5.398 0 40 HKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc5nsnc5c4)c3)oc2c1 57316038 ZLRHMBFBXPEPJE-UHFFFAOYSA-N 420.881 5.714 0 40 HKAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1ccco1)c1ccccc1F 57992758 VVWJJROQVZXKCX-UHFFFAOYSA-N 419.456 5.010 0 40 HKAB Cc1nc(C2CC2)nc2sc(C(=O)Nc3ccc(N(C)C(C)C)c(F)c3)c(C)c12 58417334 LGKODTMBNPNGON-UHFFFAOYSA-N 412.534 5.422 0 40 HKAB Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)c(C)c1 59418678 OZDWSPXPSIHEDB-VUUXHMSQSA-N 413.904 5.051 0 40 HKAB CC(=O)c1c(C)[nH]c(-c2csc(Cc3cn4cc(Cl)cc(Cl)c4n3)n2)c1C 72079638 UNCWJKHUMUNDND-UHFFFAOYSA-N 419.337 5.503 0 40 HKAB CC(=O)NCc1ccc(-c2nc(-c3cc(Br)cs3)sc2C)s1 96998841 CCTPRWUGJHHZGD-UHFFFAOYSA-N 413.387 5.307 0 40 HKAB COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(C)cc2)cc1OC 101327638 RIWNHGANOANGAU-UHFFFAOYSA-N 415.445 5.038 0 40 HKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NCCc1cccc(Cl)c1 102402040 DEWATGXNEMLSSL-JZFKGDSASA-N 410.783 5.123 0 40 HKAB COc1ccc(/C=C2\C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 118916266 YIPJBSXSAMSSSQ-LYETWJROSA-N 410.598 5.453 0 40 HKAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O 214834483 QZMMTFDSWZYLJU-GIJQJNRQSA-N 417.317 6.020 0 40 HKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 216314994 QRTOISDWESWCFT-HXUWFJFHSA-N 414.933 5.199 0 40 HKAB C[C@H](Oc1ccc(Br)cc1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 219681126 INRCXTOYQFPIOD-GJZGRUSLSA-N 404.348 5.391 0 40 HKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 224363686 OLJZGFIWURADEI-XZOQPEGZSA-N 418.610 5.939 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccccc1CN1CCCCC1 224837907 NQZXVAQHURNZIA-QFIPXVFZSA-N 417.018 5.513 0 40 HKAB CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 224954501 NAFBNGLYWAKNNM-INIZCTEOSA-N 419.396 5.645 0 40 HKAB Cc1ccc(NC(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)cc1Cl 225338458 ADVOGVWOWOVCOK-UHFFFAOYSA-N 419.937 6.015 0 40 HKAB Fc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)c(F)c1 225341436 OBXFFHBVHABESN-UHFFFAOYSA-N 407.338 5.491 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(OC2CCCC2)cc1 225679883 YOECUKURSNLLKJ-OAQYLSRUSA-N 410.583 5.905 0 40 HKAB O=S(=O)(Oc1ccc2oc3ccccc3c2c1)c1ccc2c3c(cccc13)CC2 226861872 ADRNXVFNXUAMAM-UHFFFAOYSA-N 400.455 5.606 0 40 HKAB CC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(Br)c2)C1 257340076 ZEIZRTUSFNXZJO-ZCNNSNEGSA-N 422.750 5.590 0 40 HKAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3cccc(C)c3C)sc2n1 408619445 IJKBDHDYMJVHEG-UHFFFAOYSA-N 412.584 5.273 0 40 HKAB O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 408642896 OFJYNWWBGVORCY-OAQYLSRUSA-N 422.484 5.624 0 40 HKAB O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1ccc(Cl)c(Cl)c1 409391029 HCEDQHRHQCQCHU-UHFFFAOYSA-N 402.306 5.754 0 40 HKAB O=C(Nc1nnc(CSCc2ccccc2)s1)c1ccc(Cl)cc1Cl 715040 YIIBFZHBQVQVAO-UHFFFAOYSA-N 410.351 5.531 0 40 HKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3ccccc3)cc2c1 875390 YJONSVQVPWPQLJ-UHFFFAOYSA-N 417.534 5.137 0 40 HKAB Cn1nc(-c2ccccc2)c(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c1Cl 1389893 VZKYCVOAZKRLOT-UHFFFAOYSA-N 404.779 5.476 0 40 HKAB CCc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)cc1 1413946 YVWKBRSJQZDDBT-UHFFFAOYSA-N 414.505 6.000 0 40 HKAB CC/C(=C(\CC)c1ccc(OCCN(C)C)cc1)c1ccc(OCCN(C)C)cc1 1620711 NVYHSNNUKVAVQF-QPLCGJKRSA-N 410.602 5.298 0 40 HKAB Clc1ccc(C(=Cc2ccccc2Br)c2ccc(Cl)cc2)cc1 1727372 YCJGUOZFYFELOV-UHFFFAOYSA-N 404.134 7.345 0 40 HKAB CC[C@@H](C)OC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1 1915057 GSHOHWXKMGGJOT-ZIAGYGMSSA-N 400.858 5.222 0 40 HKAB COc1ccc([C@H]2C=C(Nc3ccc(C)c(C)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 2058522 HVRWEYPXGVZVBC-AREMUKBSSA-N 412.533 6.013 0 40 HKAB COc1ccc2c(c1)c1nnc(-c3ccc(C)c(C)c3)c-1cn2Cc1ccccc1OC 2690118 KKTNBYJKZUADBJ-UHFFFAOYSA-N 423.516 5.885 0 40 HKAB CCOc1ccc([C@@H]2C[C@H](c3ccc(OC(F)F)cc3)n3ncnc3N2)cc1Cl 2918184 SCRBMSSODOZNTF-DLBZAZTESA-N 420.847 5.078 0 40 HKAB FC(F)Oc1ccc(Nc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1 3285880 GJAXBUNOBVCYIU-UHFFFAOYSA-N 403.841 6.357 0 40 HKAB Cc1cccc(COc2ccc(/C=C3/C(=O)N(C4CCCCC4)C(=S)N3C)cc2)c1 3662798 WRSQXXSFKAITLW-KQWNVCNZSA-N 420.578 5.307 0 40 HKAB CCN(CC)c1ccc(-n2c(C)c(C(=O)O)c3cc(OC)c4ccccc4c32)cc1 4116260 JSIZYELYOAHYCX-UHFFFAOYSA-N 402.494 5.645 0 40 HKAB c1ccc(COc2ccc([C@@H]3CC(c4ccccc4)=NN3c3ccccc3)cc2)cc1 4356994 GKOOQJUXAGZUOX-NDEPHWFRSA-N 404.513 6.621 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccccc4F)o2)N3)C1 4523657 PBAXDNDAOZDZOU-ASSNKEHSSA-N 424.541 6.152 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)c2c(-c3ccccc3)nn(C(=O)/C=C/c3ccc(Cl)cc3)c21 4671437 QRWRYXXMXYBSTM-WALFHVIRSA-N 418.968 7.194 0 40 HKAB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)Nc1ccc(OC)cc1OC 4849470 SBEOUEJQNLKFBM-UHFFFAOYSA-N 410.539 5.162 0 40 HKAB Cc1ccc([C@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCCCC2)cc1 6054041 UGGNCLXQISJLDT-JOCHJYFZSA-N 408.567 6.094 0 40 HKAB CCc1nnc([C@H]2C(=N)S/C(=C\c3c4ccccc4cc4ccccc34)C2=O)s1 6160414 IWVICFUTMGXZKU-STZOPLDQSA-N 415.543 5.825 0 40 HKAB CCCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c1 6204023 CPDQODMFPKUZTQ-UHFFFAOYSA-N 418.472 5.299 0 40 HKAB CCCCCCn1c([C@@H]2CC(=O)N(c3ccccc3OCC)C2)nc2ccccc21 7543533 IBRYXTLWIYIRDY-LJQANCHMSA-N 405.542 5.536 0 40 HKAB COc1ccc(CCNCc2ccccc2OCc2ccccc2Cl)cc1OC 8493672 METQYZUJFXTWST-UHFFFAOYSA-N 411.929 5.269 0 40 HKAB Cc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)C[C@H](c1cccc(Cl)c1)C3 8559459 OBDWQXFZJZXMMJ-MRXNPFEDSA-N 405.860 5.410 0 40 HKAB CCC[C@H](NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C(C)C)c1ccccc1 8573574 IXTWEZISYZSHMX-XLIONFOSSA-N 423.582 5.116 0 40 HKAB Cc1ccc2nc(-c3cccc(NC(=O)c4cccc5c(Cl)cccc45)c3)oc2c1 8590655 CDXJXDBPGFAOJG-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB COC(=O)COc1ccc(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)cc1 8925892 FVYPJTAZJXZQKF-UHFFFAOYSA-N 419.868 5.246 0 40 HKAB COc1ccc(C2=NN(C(=O)CSCc3ccco3)[C@@H](c3ccc(F)cc3)C2)cc1 9444080 HCOGUECOJSBYDJ-JOCHJYFZSA-N 424.497 5.038 0 40 HKAB Cc1ccc(NC(=O)N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 9607531 FWANWRZHIQUBMK-FQEVSTJZSA-N 418.884 5.610 0 40 HKAB Cc1ccc(C)c2sc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)nc12 10381606 KNCFHOHQEOOSMC-CMDGGOBGSA-N 422.579 5.308 0 40 HKAB COc1ccc(NC(=O)c2nc(-c3c(F)cccc3OC)sc2C)cc1Cl 11866094 UERDQIRYNKRWBZ-UHFFFAOYSA-N 406.866 5.181 0 40 HKAB COc1ccc(-c2cc(C(=O)OCc3cn4cccc(C)c4n3)c3ccccc3n2)cc1 12630096 SMUQTTWNZVMHNX-UHFFFAOYSA-N 423.472 5.224 0 40 HKAB Cc1cccn2c(NC(=O)Cc3csc(-c4ccco4)n3)c(-c3ccccc3)nc12 12823162 IWHKKOHZMATNJS-UHFFFAOYSA-N 414.490 5.207 0 40 HKAB Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2cccs2)N3)cc1C 12849053 QWGTYRCWKMQMIW-PBHICJAKSA-N 420.460 5.474 0 40 HKAB CC(C)(C)c1ccc(-c2nnc3n2N=C(c2ccc(-c4ccccc4)cc2)CS3)cc1 13750579 ANJHEJNDWOTWSQ-UHFFFAOYSA-N 424.573 6.268 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl 13881118 OUTXWHNKLCHHLR-DKNZLLBESA-N 415.942 6.062 0 40 HKAB Cc1ccc2nc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)sc2c1 14739837 FUJLGFKEQSWRMP-UHFFFAOYSA-N 407.109 5.866 0 40 HKAB CCCCC1CCC(NC(=O)c2nonc2-c2ccc(OCC)c(OCC)c2)CC1 16752240 JYMIVXSMTIMGGC-UHFFFAOYSA-N 415.534 5.013 0 40 HKAB Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc(O)cc(-c2ccccc2)n1 16841310 FNQYHIXFGQEPLF-UHFFFAOYSA-N 409.898 5.758 0 40 HKAB c1ccc(/N=c2\n(-c3ccccc3)nc(Nc3ccccc3)n2-c2ccccc2)cc1 16889955 STYFIGFBSHZRBK-SGEDCAFJSA-N 403.489 5.639 0 40 HKAB COc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1Cl 17093278 TYIRTYFAENDXGB-QPJJXVBHSA-N 422.695 6.567 0 40 HKAB COCCn1c(C)c(CN[C@H](Cc2ccsc2)c2ccc(C)cn2)c2ccccc21 19215438 ONCRPAVDUCJCJE-XMMPIXPASA-N 419.594 5.435 0 40 HKAB CCc1nnc2n1C[C@@H](c1ccc(NC(=O)c3oc4ccc(C)cc4c3C)cc1)CC2 19699136 ZXICGLOSUJLGMV-SFHVURJKSA-N 414.509 5.186 0 40 HKAB O=C(c1ccc(CSCc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 20239005 XNXFISVXOJHFBQ-UHFFFAOYSA-N 415.602 6.215 0 40 HKAB Cc1ccc(C(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@H]2c2ccccc2)cc1C 28047950 HYHWAVXDOJDZOI-HSZRJFAPSA-N 404.897 5.141 0 40 HKAB C/C=C(/C)c1cc(O)c(C)c2c1C(=O)Oc1c(C)c(O)c(C(=O)O)c(/C(C)=C\C)c1O2 31164248 AQEVIPMAHKXMTE-DEFDFUCDSA-N 424.449 5.584 0 40 HKAB biogenic,in-vitro Cc1nc(NC(=O)Cc2ccc(Cl)cc2)sc1-c1nc(-c2ccccc2)no1 32088053 OXIDXJYEWHVPCW-UHFFFAOYSA-N 410.886 5.003 0 40 HKAB Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@H](c1c(F)cccc1F)CC(O)=N2 32104374 HOVRZLHDYLCVCU-LLVKDONJSA-N 416.424 5.850 0 40 HKAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Cl)c(Cl)c1 32118997 OWXQIRSWYADAJD-UHFFFAOYSA-N 410.109 5.133 0 40 HKAB Cc1ccc(NC(=O)c2sc(NC(=O)c3ccc(F)cc3Cl)cc2C)cc1C 32931965 FTXSBRZWZGJRTB-UHFFFAOYSA-N 416.905 5.970 0 40 HKAB CCC(C)(C)[C@@H]1C/C(=C/c2ccccc2Cl)c2nc3ccccc3c(C(=O)O)c2C1 33608576 AFTYYGLAVWVJGH-MTMYEVCSSA-N 419.952 7.126 0 40 HKAB COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccc(C)c(C)c2)o1 33628165 OAJIWKKXRMQWAD-UHFFFAOYSA-N 414.914 5.352 0 40 HKAB CCOP(=O)(OCC)[C@H](/C=C(\Cl)c1ccc(Br)cc1)N(C)C 35185376 ZGLZTKBZSIIJCD-QKXCFHHRSA-N 410.676 5.183 0 40 HKAB COc1ccc(C2=NN3[C@H](c4ccc(C(C)(C)C)cc4)Oc4ccccc4[C@H]3C2)cc1 36352115 SDYOYTXCRLXSQR-RSXGOPAZSA-N 412.533 6.235 0 40 HKAB Cc1cc(NC(=O)c2cc(-c3cccc4ccccc34)[nH]n2)ccc1Br 44838258 MJDCVUAYVGSBMQ-UHFFFAOYSA-N 406.283 5.553 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 44880770 ZEJOPBGJAYFLDZ-UHFFFAOYSA-N 424.500 5.073 0 40 HKAB O=C(N[C@H]1CCCOc2ccc(F)cc21)c1ccccc1SCc1cscn1 54283106 ATLDSMOJKAVTCX-SFHVURJKSA-N 414.527 5.218 0 40 HKAB Cc1noc(C)c1CSc1ccccc1C(=O)NCCc1c[nH]c2cc(F)ccc12 65160827 YWFSPUPTRZNEQJ-UHFFFAOYSA-N 423.513 5.177 0 40 HKAB CC(C)OCCCn1c(SCc2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O 67259111 IWLSZPCCDVIVHL-UHFFFAOYSA-N 424.610 5.801 0 40 HKAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)n2c(nc3ccccc32)N1 72332451 VQIQLVHPFRSPBO-NRFANRHFSA-N 401.491 5.130 0 40 HKAB C[C@@H](NC(=O)c1cccnc1Oc1ccc(F)cc1Br)c1cccs1 84667320 GJRBREPQZRIJSV-LLVKDONJSA-N 421.291 5.328 0 40 HKAB Cc1noc(-c2ccccc2)c1NC(=O)Cc1csc(-c2ccccc2Cl)n1 95939701 ZXHDRRYDOLEEHT-UHFFFAOYSA-N 409.898 5.608 0 40 HKAB CC(C)OCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 100407582 DDHDYFBHPANCQY-RAAUGIHRSA-N 418.581 5.528 0 40 HKAB COc1cc([C@H]2OC[C@@H]3[C@@H](C)C=C(C)[C@@H]2[C@@H]3C)ccc1OCc1ccc(C(=O)O)cc1 100903171 MWCFKMDOPSZIPZ-SLFXJLIBSA-N 422.521 5.508 0 40 HKAB CCOc1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)c3ccccc32)cc1 102983098 MXZPKBOMMZXLKL-XQNSMLJCSA-N 412.489 5.342 0 40 HKAB Fc1ccc(Cl)c([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c1 106937365 ZFYRVRUVNSHWPN-IFMALSPDSA-N 413.279 6.375 0 40 HKAB CCOc1cccc(CNC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 113949513 ZJIVGUGTIBGVOT-UHFFFAOYSA-N 407.535 5.186 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@@]21C 118913862 AYXDXVGGAIDTQI-LCBRTSMASA-N 402.663 6.792 0 40 HKAB biogenic,in-vitro CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3)c2)cc1 216346138 HZCNDMQPZGTFHW-UHFFFAOYSA-N 422.550 5.178 0 40 HKAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 216442533 YKNUAXRXUWLNPX-SFHVURJKSA-N 416.345 5.340 0 40 HKAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222759302 JDLQPVHQGUGNGO-QZTJIDSGSA-N 404.322 5.251 0 40 HKAB C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc2c(c1)CCC2 223258779 GASMOXNBJAEYQU-MRXNPFEDSA-N 414.952 5.057 0 40 HKAB COc1ccc(OC)c(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)c1 225267376 FSTNVHISRYLMQK-UHFFFAOYSA-N 407.857 5.153 0 40 HKAB CCOCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 225529647 ODYWTIHBZNUFFB-UHFFFAOYSA-N 422.352 5.859 0 40 HKAB CCCCc1ccc(C[C@@]2(C)CCc3cccc(-c4ccccc4C(=O)O)c3O2)cc1 257217885 DAZQMBRHGJPWQB-MUUNZHRXSA-N 414.545 6.721 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCCC[C@H]3C)cc2)CCCC1 260816728 OUSMVEHFTWLTHX-HXUWFJFHSA-N 402.579 5.008 0 40 HKAB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)C(C)C)ccc3Cl)nc2c1 408621537 MQCGFYIYXQETMD-UHFFFAOYSA-N 401.919 5.180 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)cc1C 408693623 BCNMXUSHEMRPBA-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCCOc1ccc2ccccc2c1-c1nc(O)c2c3c(sc2n1)CCCCCC3 408988643 IQISEDDDUWHHHO-UHFFFAOYSA-N 418.562 6.665 0 40 HKAB CCc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 409109765 KWNJOZSWXYYBGZ-UHFFFAOYSA-N 416.348 6.756 0 40 HKAB O=C(Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1)c1ccc(-c2ccccc2)cc1 409182035 HSBKSQCCKJAGFO-UHFFFAOYSA-N 407.557 7.146 0 40 HKAB CCc1s/c(=N\C(=O)c2ccc(C)c(Cl)c2)n(C)c1-c1ccc(OC)cc1 409205511 OGONMSUAGJJZCX-LNVKXUELSA-N 400.931 5.028 0 40 HKAB O=C(CSCc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 409251820 BVIWIJHFCRCJCV-UHFFFAOYSA-N 418.345 6.658 0 40 HKAB Cc1ccc(N2CCC([C@@H]3CCCCN3Cc3ccc4ccccc4c3)CC2)nn1 2056225564 RFQIPNNIBLSFMS-VWLOTQADSA-N 400.570 5.209 0 40 HKAB Nc1c(C(=O)Nc2cccc(Cl)c2Cl)sc2nc(-c3cccs3)ccc12 660320 SZOOGVKGJCCILZ-UHFFFAOYSA-N 420.346 6.166 0 40 HKAB CC(=O)c1ccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)cc1 1003220 ORYWGYOISAQOKP-UHFFFAOYSA-N 420.419 5.097 0 40 HKAB CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cc2ccc(OC)cc2nc1Cl 1297393 VBLRJHLNSPGJDV-NRFANRHFSA-N 407.901 5.293 0 40 HKAB Cc1ccc(C(=O)N2CCc3cc(-c4csc(Nc5ccccc5)n4)ccc32)cc1 1354458 SGNLYUCKIYWQKZ-UHFFFAOYSA-N 411.530 6.065 0 40 HKAB COC(=O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2C(C)C)cc1 1431454 DJGIVHJSPKLHEO-HSZRJFAPSA-N 400.478 5.368 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(C34C[C@H]5C[C@H](CC(c6ccccc6)(C5)C3)C4)cc2)cc1 2027461 IJOONULBHPPHJA-KUKIJGICSA-N 421.584 7.037 0 40 HKAB COc1ccccc1OP(=O)(Nc1cccc(F)c1)Oc1ccccc1OC 2290918 CQQNDVIAVNTRCC-UHFFFAOYSA-N 403.346 5.521 0 40 HKAB Cc1ccc(NC(=O)Nc2nnc(CSCc3ccc(F)cc3)s2)cc1C 2352907 LDEUVDSDDFADGM-UHFFFAOYSA-N 402.520 5.371 0 40 HKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccc(C)cc4)ncnc32)cc1 2715225 WPGMNPHULKKSBC-UHFFFAOYSA-N 420.516 6.538 0 40 HKAB CC(C)Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)c3ccccc3n2)cc1 2759159 MRAJHQVLOCAZGX-UHFFFAOYSA-N 414.936 7.006 0 40 HKAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)cc1 3333239 YHVNUGKGFXDSLF-FOCLMDBBSA-N 403.503 5.341 0 40 HKAB O=C(NCc1cccs1)c1oc2ccccc2c1CSc1ccc(Cl)cc1 3377144 RMGMABIWESJULE-UHFFFAOYSA-N 413.951 6.370 0 40 HKAB COc1ccc2nc(SCc3csc(-c4ccc(OC)c(OC)c4)n3)[nH]c2c1 4252164 TWIYCIXLYZWRHZ-UHFFFAOYSA-N 413.524 5.005 0 40 HKAB CC(C)(C)c1cc(CN2CCC(C(=O)N3CCCCC3)CC2)cc(C(C)(C)C)c1O 4681370 UNDRRCVSNHKFSR-UHFFFAOYSA-N 414.634 5.212 0 40 HKAB Cc1cccc(C)c1NC(=O)C1(N(C(=O)c2ccco2)c2ccccc2)CCCCC1 4682413 VDTSKCXMUCOHEK-UHFFFAOYSA-N 416.521 5.885 0 40 HKAB Cc1ccc(-c2cc3nc(-c4ccc(OC(C)C)cc4)cc(C(F)(F)F)n3n2)cc1 4723280 FYSSJOAIMTZHID-UHFFFAOYSA-N 411.427 6.178 0 40 HKAB Cc1ccc(CNC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1 4743815 ZSVGHPVTHBQSOQ-UHFFFAOYSA-N 403.478 5.022 0 40 HKAB CCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1C 4847992 CRRRQSSZVULSMZ-QHCPKHFHSA-N 412.599 5.028 0 40 HKAB COc1ccccc1C(=O)N(CC(C)C)c1nnc(-c2ccc(Cl)cc2)s1 4880991 YOZZMTFQQQVRRX-UHFFFAOYSA-N 401.919 5.170 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2OC)cc1 4906268 XSYIZUWAJHLRBD-XUZZJYLKSA-N 420.896 5.600 0 40 HKAB COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccccc23)cc1OC 4970312 CHNJJZKMHWKRGF-UHFFFAOYSA-N 415.880 5.911 0 40 HKAB CCOC(=O)c1ccc(-c2ccc(/C=C3/N=C(/C=C/c4ccccc4)OC3=O)o2)cc1 5510956 BKLSDMQHAWHKMF-TYIWKSSMSA-N 413.429 5.133 0 40 HKAB Cc1ccccc1OC[C@@H](O)CN(Cc1cccs1)C12CC3CC(CC(C3)C1)C2 5867259 CFUDVZQSUZGFRZ-UQQXROCHSA-N 411.611 5.267 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1Cl 6260087 QSMJLTQKNYJPIS-QHHAFSJGSA-N 405.506 6.061 0 40 HKAB Cc1noc(C)c1CSCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6530405 PXLYIPWMAZGTCT-UHFFFAOYSA-N 410.583 5.631 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cccc(Cl)c3C)c2n1 6549755 WRKJTRULCXPORS-UHFFFAOYSA-N 409.700 5.829 0 40 HKAB CCOc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F 7537947 BZBKQIXBSPSYFI-UHFFFAOYSA-N 413.920 6.055 0 40 HKAB CC(C)c1ccc(NC(=O)CSC2=NC3(CCCCC3)Nc3ccccc32)cc1 8023516 UUOLZYJTNCIFNN-UHFFFAOYSA-N 407.583 6.014 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cc2ccccc2o1 8090400 DWBDALPTYFLINI-UHFFFAOYSA-N 412.902 5.095 0 40 HKAB COc1cc(C)c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1OC 8133942 NJPCTYPICUJLIA-UHFFFAOYSA-N 404.491 5.541 0 40 HKAB COc1ccc(CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@H]2C)cc1F 8747882 VFLIVQZSQIUFOC-BEFAXECRSA-N 412.534 5.531 0 40 HKAB CCc1ccc(/C=C2/S[C@@H](c3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 8916894 GBWKQUGWBOFZJO-ASSGYOTOSA-N 415.558 6.386 0 40 HKAB CC(=O)[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccccc1 9113177 YGLUNDAMKLBTOP-HXUWFJFHSA-N 411.958 6.136 0 40 HKAB CC(C)CCN1C(=O)CCc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc21 9164707 NPYPCOCLSZMBKL-UHFFFAOYSA-N 404.432 5.283 0 40 HKAB O=C(CSc1ncccn1)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 9612410 IXZNXXQRBOXASV-HSZRJFAPSA-N 424.529 5.100 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)cc1 10332952 MBGNALVGNFSCAD-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB CCc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 10333285 QOAAWKBFVQDHBY-LJQANCHMSA-N 400.522 5.311 0 40 HKAB Cn1/c(=N\C(=O)c2ccccc2Oc2ccccc2)sc2c3ccccc3ccc21 11852843 OILWXFHFGHBJIZ-OCEACIFDSA-N 410.498 5.926 0 40 HKAB CN(C(=O)c1ccccc1NC(=O)/C=C/c1cccc2ccccc12)C1CCCCC1 12137571 JFEUWQJONZLVEM-VHEBQXMUSA-N 412.533 5.896 0 40 HKAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN1CCC(Cc2ccccc2)CC1 12661635 AASBORAVPLVJOH-VJPXLHPWSA-N 407.598 5.399 0 40 HKAB biogenic CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-c2ccccc2F)o1 12796968 QQWVHYXRLHFWLX-UHFFFAOYSA-N 421.255 5.103 0 40 HKAB O=C(CSc1ccccc1Cl)Nc1cc(-c2ccccc2)nn1-c1ccccc1 13131655 QQPCWOLPDGMUGQ-UHFFFAOYSA-N 419.937 5.924 0 40 HKAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc(N4CCCC4=O)c(Cl)c3)o2)cc1 14802655 UXIIYPBPGRHNKY-UHFFFAOYSA-N 422.868 5.182 0 40 HKAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc2c(Cl)cccc12 16347634 HGOGAUATTOMIMN-UHFFFAOYSA-N 411.892 6.597 0 40 HKAB Fc1ccc(CCNCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 16401425 SPHAZCUEPPABBY-UHFFFAOYSA-N 404.312 6.044 0 40 HKAB O=C(Nc1ccc(CN2CCCC2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 17090229 DAABPEFOOALBDF-UHFFFAOYSA-N 415.320 6.102 0 40 HKAB CC(C)(C)c1ccc(-c2cc(=O)c3ccc(NC(=O)c4cccs4)cc3o2)cc1 17112937 FDTKPPGCMPVOLB-UHFFFAOYSA-N 403.503 6.071 0 40 HKAB biogenic CCc1ccccc1O[C@@H](C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 20111582 CMWZCPXSRSPFFY-AWEZNQCLSA-N 412.382 5.373 0 40 HKAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 20490082 DWGZUDLATNXUTA-KRWDZBQOSA-N 409.576 6.107 0 40 HKAB Cc1oc2ccc(OCc3ccccc3)cc2c1C(=O)Nc1ccc2c(c1)OCCO2 22699058 FFBSFIGAQLVJAB-UHFFFAOYSA-N 415.445 5.344 0 40 HKAB biogenic Cc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2O)N2C[C@@H](C)C[C@H](C)C2)cc1 22852384 RWUUYEFLSSWUDM-BXWFABGCSA-N 422.554 5.132 0 40 HKAB CC[C@H](Oc1ccccc1F)C(=O)N(Cc1c(F)cccc1Cl)c1ccccn1 28290801 LPCMKFXSFSSWIW-IBGZPJMESA-N 416.855 5.404 0 40 HKAB CC1CCN(c2nnc(SCc3csc(-c4ccccc4)n3)n2C2CC2)CC1 29069004 UCPKPLJVBFXWIS-UHFFFAOYSA-N 411.600 5.265 0 40 HKAB COc1ccccc1CN(Cc1cccs1)C(=O)c1csc(-c2ccccc2)n1 32740766 VYJGSVLTMIBSJA-UHFFFAOYSA-N 420.559 5.723 0 40 HKAB Cc1nc2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)cc2nc1C 32904208 JCJYGPSETOVACI-UHFFFAOYSA-N 411.465 5.143 0 40 HKAB CCOc1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 33362726 XDWBUTUUYSHUFP-YVLHZVERSA-N 408.306 5.629 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2)c1 41303154 SOMCUZZUZLVNBX-QGZVFWFLSA-N 405.991 5.589 0 40 HKAB Cc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078780 CAXGTIBWLVMOQM-UHFFFAOYSA-N 404.897 5.494 0 40 HKAB Cc1noc(CSc2ccccc2C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)n1 48354639 UXKAMUJZOHIDQU-OAHLLOKOSA-N 407.539 5.040 0 40 HKAB Cc1cc(C)c2nc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)sc2c1 57335520 SJBGIGVKTYZNDF-UHFFFAOYSA-N 419.344 5.472 0 40 HKAB C1=C(c2ccccc2)CCN(Cc2nc(-c3ccc(OCc4ccccc4)cc3)no2)C1 57427776 HINAWUDCLRSNNF-UHFFFAOYSA-N 423.516 5.605 0 40 HKAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccc(Br)cc1 58357034 JKZBEMSUDNWXRP-OAQYLSRUSA-N 411.343 5.617 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2SC2CCCCC2)cc1 72217310 NJKMOZQGYREWRH-OAQYLSRUSA-N 416.612 5.341 0 40 HKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)[C@@H](CC(F)(F)F)C[C@H]4[C@@H]3CC[C@@H]2C1 118933844 ZSYUPDORWXUGGF-RNQNAPIBSA-N 414.508 5.708 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1cccc(OC(C)C)c1 219384055 ZSGMYOLWQKJCKB-NRFANRHFSA-N 405.991 5.747 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 219389385 BSVLLARNLFEOSG-PXNSSMCTSA-N 407.963 5.495 0 40 HKAB CCOC(=O)c1cccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1C 219843704 KPUXILCVVPWLGT-UHFFFAOYSA-N 423.896 5.656 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(OC)c(Cl)cc1OC 222925508 RNWUYFCIAIULFM-GOSISDBHSA-N 405.922 5.451 0 40 HKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)c(C)c1 222978998 CQEOXIWYYVVEPE-GOTSBHOMSA-N 404.583 5.262 0 40 HKAB C[C@@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1)c1ccccc1 223075074 SXEPYRKCXDMYCD-QGZVFWFLSA-N 418.924 5.424 0 40 HKAB CCCOCc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OCC 224707239 LJLJNZSVAUFZTC-UHFFFAOYSA-N 405.494 6.057 0 40 HKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(F)cc2F)C1 257261993 LJPAFAQYWPKBDH-VWPQPMDRSA-N 407.888 5.742 0 40 HKAB CC(C)C(=O)N1Cc2ccccc2OC2(CCC(N(C)CC3CCCCC3)CC2)C1 257294900 QWESQXMQBHYFMV-UHFFFAOYSA-N 412.618 5.257 0 40 HKAB Cc1cccc(CNC(=S)c2ccccc2OCc2ccc(Cl)cc2Cl)c1 408578571 YVWPOXWEHZJTGQ-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB O=C(Nc1c(Cl)cccc1Cl)c1ccc(CN2CCc3ccccc3C2)cc1 408580569 RHHGYSXIVJRFMN-UHFFFAOYSA-N 411.332 5.804 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(F)cc2)c1 408695315 PVRNIDPKXADAMI-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1c(/C=C2/SC(=O)N(C(C)C)C2=O)c2ccccc2n1Cc1ccccc1Cl 409022636 DXDOBPQPJHRSEM-CIAFOILYSA-N 424.953 6.096 0 40 HKAB O=C1N/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccccc1 409067627 GOBQEOUEXLWQDE-STZFKDTASA-N 420.921 5.584 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1C 409109617 IERGPECVEVLNPY-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB O=C(Nc1sc2c(c1C(=O)Nc1cccnc1)CCCC2)c1ccc(Cl)cc1 409115160 IUXKBJSKBZZOPX-UHFFFAOYSA-N 411.914 5.180 0 40 HKAB Cc1ccc(-c2ccc(OC(=O)c3ccc(COc4cccc(C)c4)cc3)c(C)c2)cc1 409176434 NDKVCJVWVPBMQZ-UHFFFAOYSA-N 422.524 7.077 0 40 HKAB CCc1cccc2c1OC(C)(C)[C@H]1C[C@@H](C(=O)O)[C@H](CCc3cccc(F)c3)O[C@H]21 585264831 PXAYMIPEDOZPSS-BESBDSHLSA-N 412.501 5.339 0 40 HKAB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(N)s2)cc1C 606422225 BBSPTLQBUGYCEU-UHFFFAOYSA-N 405.527 5.127 0 40 HKAB O=C(O)c1ccc2c(c1)Cc1cccc(c1)CN(Cc1ccccc1)CCCCCO2 643583004 FFTXXRZJFQNKAX-UHFFFAOYSA-N 415.533 5.541 0 40 HKAB CC(C)c1ccc2c(c1)Cc1cccc(c1)CN(C(=O)CC(C)(C)C)CCOCCO2 643589130 NYATVMKJORKYQD-UHFFFAOYSA-N 423.597 5.575 0 40 HKAB Cc1ccc2[nH]c(C(=O)Nc3ccc(N4CCN(C)CC4)cc3)c(-c3ccccc3)c2c1 2037850050 LNRXUUHHWOINBO-UHFFFAOYSA-N 424.548 5.147 0 40 HKAB COc1ccc(-n2ncc3c(Nc4ccc(Oc5ccccc5)cc4)ncnc32)cc1 756730 KCGNVSJEDSXBNF-UHFFFAOYSA-N 409.449 5.360 0 40 HKAB Cc1cccc(-c2cc(C(=O)NCCc3cccc(Cl)c3)c3ccccc3n2)c1 996935 IPSQQVICMADVLX-UHFFFAOYSA-N 400.909 5.836 0 40 HKAB O=C(CSc1nc(COc2ccccc2)nc2ccccc12)Nc1ccc(F)cc1 1356116 JUYLWQSFMOQVFO-UHFFFAOYSA-N 419.481 5.079 0 40 HKAB COc1ccc(-c2c(C)oc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1OC 1463866 LHXFVOBIIHGJJQ-UHFFFAOYSA-N 420.436 5.504 0 40 HKAB biogenic CC(C)(C)c1cc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc(C(C)(C)C)c1O 1816472 KHIKJXCMDHIUIT-RTWAWAEBSA-N 420.553 5.157 0 40 HKAB biogenic CN(C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccccc1 2069941 KZCVQIUEEGESDL-UHFFFAOYSA-N 415.496 6.240 0 40 HKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N(C)CCN(C)C(C)(C)C)c(C(C)C)c1 2183337 HLZHZAZTQOFBOO-UHFFFAOYSA-N 410.668 5.408 0 40 HKAB Clc1ccc2c(c1)[C@H](c1ccccc1)O[C@H](c1ccc(Br)cc1)N2 2293528 AZGYLCACSFIPSF-VQTJNVASSA-N 400.703 6.333 0 40 HKAB CSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCCC1)Cc1ccccc1-2 2295401 CMRYJALRRHKBSC-UHFFFAOYSA-N 402.563 5.688 0 40 HKAB biogenic CCCCSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@](C)(CC)C4 2296664 SGFNZVZFQBBEGQ-GOSISDBHSA-N 408.618 5.195 0 40 HKAB Cc1ccc(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)cc1C 2647437 CDVQJWBLJDZODJ-UHFFFAOYSA-N 407.489 6.122 0 40 HKAB COc1ccc2c(c1)c1nnc(-c3ccc(C)cc3)c-1cn2Cc1ccccc1OC 2690335 IZPFRCMZJFJSIC-UHFFFAOYSA-N 409.489 5.577 0 40 HKAB O=C(Oc1ccc2ccccc2c1Br)c1ccc(-c2ccccc2)cc1 3183471 CLNXNVGPTTYLFJ-UHFFFAOYSA-N 403.275 6.489 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](C)NC2CCCCCCC2)sc2c1CC[C@H](C)C2 3377678 WQIMAKRVQZQHEN-JKSUJKDBSA-N 420.619 5.079 0 40 HKAB FC(F)(F)c1cccc(Cn2c(/C=C/c3ccc(Cl)cc3)nc3ccccc32)c1 4002574 JRZVCVCCYKZXPM-JLHYYAGUSA-N 412.842 6.927 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc(-c3nc4cccnc4s3)ccc2C)c(C)c1 4036404 GFNNXZFXGYKQKV-UHFFFAOYSA-N 409.536 5.084 0 40 HKAB Cc1ccc(OCCSc2nnc(Cc3ccccc3)n2-c2cccc(C)c2)cc1 4491106 LKOZWFRLZASLOT-UHFFFAOYSA-N 415.562 5.646 0 40 HKAB CCOP(=O)(OCC)c1nc(-c2ccc(C)cc2)oc1NCc1ccccc1 5124262 JUXNCHMSJUINKF-UHFFFAOYSA-N 400.415 5.154 0 40 HKAB COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)cc1 5256162 SDOPCUCGQPKBEH-HXUWFJFHSA-N 416.308 5.441 0 40 HKAB N=C(N)c1ccc2oc(/C=C\c3ccc(-c4cc5cc(C(=N)N)ccc5o4)cc3)cc2c1 5518850 UGAHVRIJHXSWLF-BAQGIRSFSA-N 420.472 5.585 0 40 HKAB Cc1ccc(CNC(=O)c2cc3c([nH]c4ccccc43)c(CCc3ccccc3)n2)cc1 6076842 QGTZRKVATQHYCM-UHFFFAOYSA-N 419.528 5.740 0 40 HKAB biogenic C[C@H]1CCc2c(sc3nc([C@@H](C)N(C)Cc4c(F)cccc4Cl)[nH]c(=O)c23)C1 7001405 ZEYACCATCPNICM-NWDGAFQWSA-N 419.953 5.095 0 40 HKAB COc1ccccc1N(C(=O)[C@@H]1CC=CCC1)c1nc(-c2ccc(C)cc2)cs1 7737941 HXGBUSOEANPVSI-LJQANCHMSA-N 404.535 6.148 0 40 HKAB CCCCCCc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)n2C)cc1 7785846 FULPCYGTKWZJFE-QGZVFWFLSA-N 411.571 5.870 0 40 HKAB CC(C)[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CCC1)c1ccc2c(c1)OCCCO2 7973633 RSTBSVJXSVHXNZ-JOCHJYFZSA-N 413.945 5.437 0 40 HKAB O=C(/C=C/c1ccc2ccccc2n1)N1CCc2sccc2[C@H]1c1cccs1 8162099 FKBSFUXMQVJNEI-ZUTVHTERSA-N 402.544 5.545 0 40 HKAB O=C(CN(C1=NCCCCC1)c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 8418840 UECLPALSIIYURT-UHFFFAOYSA-N 409.744 6.309 0 40 HKAB Clc1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1Cl 8987371 UIZIEJAJSBSWRJ-UHFFFAOYSA-N 417.321 5.581 0 40 HKAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2Cl)CSC3)cc1C 9391620 PUIGWHIRXPCOHM-UHFFFAOYSA-N 418.349 5.795 0 40 HKAB CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2)cc1 9428629 FDADESNIRMASNM-UHFFFAOYSA-N 412.489 5.082 0 40 HKAB Fc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(Br)cc4)c3c2c1 9675845 ZYTHLEFUXPIWMY-UHFFFAOYSA-N 418.269 6.142 0 40 HKAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(F)c(F)c1 9908146 USERPQOWHQIXNR-UHFFFAOYSA-N 421.472 5.548 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)C1(c2ccccc2)CCCC1 10372778 LKFYFMFKKWCTAA-UHFFFAOYSA-N 402.460 5.756 0 40 HKAB CCOC(=O)c1cccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c1C 10442193 PQSUIODCILQKOP-HAVVHWLPSA-N 415.489 5.360 0 40 HKAB O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1nc(-c2c[nH]c3ccccc23)cs1 10444350 ZZKAMOHRKCZQEE-UHFFFAOYSA-N 423.366 5.168 0 40 HKAB O=C(CNc1ccccc1-c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F 11618692 OCZLTFLHMRMXEU-UHFFFAOYSA-N 404.819 6.076 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(F)c(F)c2)cc1 12197052 VVFXCDVAXIXGDV-LADGPHEKSA-N 422.431 5.224 0 40 HKAB CCOc1ccc(/N=c2\scc(-c3ccc(Cl)cc3Cl)n2CCOC)cc1 12528703 TVCAEJJVBFVSRH-ATJXCDBQSA-N 423.365 5.801 0 40 HKAB COc1ccc(C2=C[C@H](c3ccccc3)[C@H]3CCCC[C@@]34Nc3ccccc3N24)cc1 12656183 VCIWUKDDAJEZBS-GKAFBRTNSA-N 408.545 6.652 0 40 HKAB biogenic COc1ccc(C)cc1NC(=O)[C@H](N[C@@H](C)c1ccc2ccccc2c1)c1ccccc1 12932732 CBSQTUYDDBIKQY-CCLHPLFOSA-N 424.544 6.187 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3cccc4ccccc34)ccc21 13709512 BBAUVAKRMVUZGL-SFHVURJKSA-N 408.501 6.374 0 40 HKAB COc1ccc([C@@H](CNC(=O)c2oc3ccc(C)cc3c2C)N2CCCCC2)cc1 15952786 DMZGRAIMZVQKKA-JOCHJYFZSA-N 406.526 5.015 0 40 HKAB O=C(c1ccccc1C(F)(F)F)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 16014670 WGUHUEMDAWIYMQ-UHFFFAOYSA-N 421.806 5.214 0 40 HKAB S=C(Nc1cccc(Cl)c1Cl)N(Cc1ccccc1)Cc1ccccc1 17082150 WOHCXXSYHHLGRL-UHFFFAOYSA-N 401.362 6.393 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1cccc2c(O)cccc12 17090979 PJNOXUPASABDNK-CSKARUKUSA-N 417.317 5.379 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCSCc1ccc(Cl)cc1 20035568 CBNSSYDHDKSQGO-NRFANRHFSA-N 413.970 5.700 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1 20610446 HTEDLNFHYDPRGN-UHFFFAOYSA-N 418.472 5.009 0 40 HKAB Clc1ccc(COc2ccc(CNCc3ccccc3)cc2Br)cc1 20876404 WWGGSSZRGDEPEZ-UHFFFAOYSA-N 416.746 5.971 0 40 HKAB CC(C)c1ccc(NC(=O)c2cccnc2Nc2ccc(Br)cc2)cc1 22072985 QTOFLUKVRQQAQO-UHFFFAOYSA-N 410.315 5.963 0 40 HKAB Cc1c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)oc2ccccc12 23442093 RUYYWXOUVYGTOL-UHFFFAOYSA-N 410.517 5.289 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN4CCc5sccc5[C@H]4C)[nH]c(=O)c23)cc1 23956247 DEEPDJUQCGWTKK-CQSZACIVSA-N 421.591 5.449 0 40 HKAB Fc1ccccc1N1CCN(Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 25180558 SDYIOINMSYTEIX-UHFFFAOYSA-N 421.463 5.290 0 40 HKAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(COc2ccccc2Br)o1 27971027 RCCKBIKKJLMCQT-CQSZACIVSA-N 412.283 5.213 0 40 HKAB CCc1ccc(OCC(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCCCC2)cc1 28291848 LUZOUNAIIMSCRN-RUZDIDTESA-N 408.586 5.095 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(COc2cccc(C(F)(F)F)c2)o1 31679889 RUOYQOWVFSOILN-UHFFFAOYSA-N 401.344 5.298 0 40 HKAB CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(=O)CC)CC[C@@H]32)C1 38427178 FWAYUWSHYLKUEY-HDKIKNFVSA-N 404.591 5.673 0 40 HKAB biogenic Cc1ccsc1CN(C)C(=O)c1ccccc1-c1ncc(-c2ccccc2F)o1 48286935 CUBGIODDIBEJJR-UHFFFAOYSA-N 406.482 5.790 0 40 HKAB Cc1ccc(C(=O)N2CCC[C@H]2C2CCCCC2)cc1NC(=O)c1ccccc1F 71818188 PBPLKMJTXXISDX-QHCPKHFHSA-N 408.517 5.571 0 40 HKAB O=C(Nc1cccc(Oc2cnccn2)c1)c1csc(-c2ccc(Cl)s2)n1 84374598 YEFJZSRHACBOJT-UHFFFAOYSA-N 414.899 5.360 0 40 HKAB O=C(Nc1nc(-c2ccccc2C(F)(F)F)ns1)c1cc(-c2ccccc2)on1 98086555 BIZPXQAJQVEPNH-UHFFFAOYSA-N 416.384 5.131 0 40 HKAB Cc1cc(C)c(NC(=O)CN2C(=O)CC(c3ccccc3)=Nc3ccccc32)c(C)c1 102529356 YKGRJJVTMIFBCT-UHFFFAOYSA-N 411.505 5.108 0 40 HKAB CCCCO[C@]12N=C(N)S[C@H]1C[C@H]1[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C 122808153 RSIJHRRFYQHUQH-OSTQOKSTSA-N 404.664 5.972 0 40 HKAB Cc1c([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n(-c2ccccc2)c1C 222944018 SFWBHZFQWOZVAG-BJKOFHAPSA-N 418.610 5.426 0 40 HKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 222991324 KHURNUAZMQCSPC-NRFANRHFSA-N 416.565 5.106 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2ccccc2Cl)c1 224139435 CQXPNPCLQULHMK-UHFFFAOYSA-N 423.940 6.305 0 40 HKAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 224616044 MIFXNYKMBUFWDA-PKTZIBPZSA-N 413.502 5.224 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2F)cc1 224781267 LNWCNSXOVUVMNL-UHFFFAOYSA-N 409.910 5.308 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)Cc2ccc(-c3ccccc3)cc2)cc1OCC 224976475 RQTYFOBMPJRRHF-LJQANCHMSA-N 403.522 5.571 0 40 HKAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(OCc2ccccc2Cl)cc1 225000931 XDFQTVWQZDNUTR-UHFFFAOYSA-N 422.912 5.008 0 40 HKAB CC[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(OC)cc1 225487710 GZVKZHZPZOBGMC-HSZRJFAPSA-N 422.619 6.425 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)CCCCC2)cc1 225542239 YDFPZEXBVDHOSL-UHFFFAOYSA-N 420.597 5.700 0 40 HKAB Cc1ccccc1C1(NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)CCCC1 225870804 KCXQJKOAGZISMP-UHFFFAOYSA-N 421.610 5.377 0 40 HKAB CN(C[C@H](O)COCCOc1ccc(C(C)(C)C)cc1C(C)(C)C)C1CCCCC1 226070425 PEEJTEDVLCAULH-QFIPXVFZSA-N 419.650 5.302 0 40 HKAB CN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 226269264 GDZDADILHIVSRF-UHFFFAOYSA-N 404.775 5.827 0 40 HKAB Cc1cc(-c2ccc(C(=O)Nc3ccc(Cl)c(N)c3)o2)ccc1Br 226764203 KUKXSYJILYXUCQ-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1ccco1)N2Cc1ccccc1 245227939 ZHLJKTQAWJWBRF-AXJZPPOTSA-N 417.505 5.034 0 40 HKAB Cc1nc([C@@]2(O)CCCN(CC(C)C)CC2)sc1CCOc1ccccc1Cl 257313555 UTDLVDPIUXPMOS-JOCHJYFZSA-N 423.022 5.056 0 40 HKAB CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(C)c3C)n2)cc1 408694783 MLGJSGQHICTMLS-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB CC(C)COc1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)c2ccccc12 408802087 CUSMBFFNFPQLGD-UHFFFAOYSA-N 421.517 5.777 0 40 HKAB COc1ccc(Br)c2c1-c1nc(NC(=O)c3ccccc3C)sc1C2 409053534 ZGBLHCSJCIJZSZ-UHFFFAOYSA-N 415.312 5.046 0 40 HKAB O=C(Nc1ccccc1Cl)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409062763 AMRBRWQEANZKHM-UHFFFAOYSA-N 418.924 5.498 0 40 HKAB CCOc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(Cl)cc1 409146753 UJLUYEXGKVCMOF-HSZRJFAPSA-N 424.953 6.015 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)NCc1ccc(Cl)cc1Cl 409180615 YBRDKTNLFZKXKV-UHFFFAOYSA-N 409.165 5.850 0 40 HKAB CC(C)C[C@H]1COc2ccccc2CCCCC2(CCN(CC(C)C)CC2)C(=O)N1 643578644 COQMLBJYUWGYSW-QHCPKHFHSA-N 414.634 5.061 0 40 HKAB O=C(Nc1ccc(I)cc1)c1ccc(-c2ccc(Cl)cc2)o1 651668 MKRLADIBRBZGLX-UHFFFAOYSA-N 423.637 5.457 0 40 HKAB COc1ccccc1-c1c(C)oc2cc(OCC(=O)c3ccc(F)cc3)ccc2c1=O 1096601 KBBGPMHFJXRDRT-UHFFFAOYSA-N 418.420 5.178 0 40 HKAB biogenic Cc1cc(C)c2[nH]c(=O)c(-c3nc4c(C)cccn4c3NC3CCCCC3)cc2c1 1376121 HLMCUAVIKHRVOD-UHFFFAOYSA-N 400.526 5.513 0 40 HKAB CC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 1415854 WVDRNAVMVZAUHQ-UHFFFAOYSA-N 408.914 5.583 0 40 HKAB CCOC(=O)[C@@H](C(=O)c1ccccc1)[C@H](c1ccccc1)c1nccc2ccccc12 1718221 BBWZQZGGDBQMEA-BJKOFHAPSA-N 409.485 5.429 0 40 HKAB Cc1ccc(-c2ccc(OC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc2)cc1 1844515 BJBPXYFVTSJGEU-UHFFFAOYSA-N 400.562 7.476 0 40 HKAB Cc1cc(OC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c(C(C)C)cc1Cl 2061812 DNDGKURDFDMRHS-GOSISDBHSA-N 420.936 6.712 0 40 HKAB Cc1ccc(-c2cc(C(=O)Oc3cccc4ccccc34)c3cccc(C)c3n2)cc1 2078930 XQNWTGUFGGSVCB-UHFFFAOYSA-N 403.481 6.891 0 40 HKAB Cc1ccc([C@H](CC(=O)N[C@@H](C)CCc2ccccc2)c2ccccc2)c(O)c1C 2105781 MCNPFDTVKKNCNO-NBGIEHNGSA-N 401.550 5.669 0 40 HKAB biogenic CCOc1ccc2c(c1)c1nnc(-c3ccc(OC)cc3)c-1cn2Cc1cccc(C)c1 2692209 GKXKFUBSEFISHN-UHFFFAOYSA-N 423.516 5.967 0 40 HKAB CCOc1ccc(-n2c(S[C@H](C)c3ccccc3)nc3c(c2=O)SCC3)cc1 2719913 VQRGGJUPRJMEBM-OAHLLOKOSA-N 410.564 5.133 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)sc2c1CC[C@@H](C)C2 2734335 ZWMNDYQBRVWXTH-OLZOCXBDSA-N 421.946 5.109 0 40 HKAB CCOC(=O)c1sc2nc(C)nc(NCCc3ccc(Cl)cc3Cl)c2c1C 3255216 RCHXNIWGDNNUNX-UHFFFAOYSA-N 424.353 5.446 0 40 HKAB COc1cc(SC)ccc1C(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1 3314248 XOHSQNMPIBZYJR-UHFFFAOYSA-N 423.490 5.005 0 40 HKAB S=C(Nc1ccc(Oc2ccccc2)cc1)N(Cc1ccco1)Cc1cccs1 3325784 XLYDMUFGCXMANV-UHFFFAOYSA-N 420.559 6.533 0 40 HKAB CC(C)CCC[C@@](C)(O)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C 4546836 MCKLJFJEQRYRQT-RCFNSHQYSA-N 402.663 6.504 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(Br)ccc1Cl 4659447 NZHHQVGZPPYQMU-UHFFFAOYSA-N 402.675 6.147 0 40 HKAB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1 4669013 JAJHCGBHHUKLAR-HZHRSRAPSA-N 415.514 5.811 0 40 HKAB Cc1ccc(C)c([C@H](NC(=O)C(C)(c2ccccc2)c2ccccc2)c2ccccc2)c1 4715893 LKYOUFSONIPIEN-MUUNZHRXSA-N 419.568 6.515 0 40 HKAB COc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4ccc(Cl)cc4)c3n2)cc1 4739354 ASVCOHJCULFDRK-UHFFFAOYSA-N 403.791 5.744 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C)cc2)cc1 4897820 JZMOMDRZFSEOSM-UKILVPOCSA-N 418.924 6.289 0 40 HKAB CCOc1ccc2nc(Cl)c([C@H]3CC(c4ccc(C)cc4)=NN3C(C)=O)cc2c1 4980904 SNQOFRCYZKWYSB-JOCHJYFZSA-N 407.901 5.293 0 40 HKAB COC(=O)c1ccc(CSc2nnc(Cc3cccs3)n2C2CCCCC2)o1 5213024 QFPCKBWCJDSOOW-UHFFFAOYSA-N 417.556 5.108 0 40 HKAB CCc1ccc2nc(N(Cc3ccccn3)C(=O)CCc3ccccc3)sc2c1 5265090 QXVGBKLLPXZXOU-UHFFFAOYSA-N 401.535 5.420 0 40 HKAB Cc1cc(C)c(N2COc3c(Cl)cc4c5c(c(=O)oc4c3C2)CCCC5)c(C)c1 5450942 JBZQTEKMWLBKGW-UHFFFAOYSA-N 409.913 5.607 0 40 HKAB CC(=O)Oc1ccc(OC(C)=O)c(C[C@]2(C)[C@@H](C)CC[C@@]3(C)[C@@H]2CCC[C@H]3C)c1 5515845 JNPCOXQSZZCMMB-GFHGCJKTSA-N 400.559 5.958 0 40 HKAB CC[C@@H](C)NC[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C)ccc21 5610862 UVKPBZRFTXPAQX-QPPBQGQZSA-N 412.577 6.033 0 40 HKAB COc1cc(CNC(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccc(F)cc1 6857345 SBIRTGGQMGUGIN-UHFFFAOYSA-N 407.957 6.371 0 40 HKAB COc1cccc(CS[C@H](C)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)c1 7717691 PXCVMEUQYLVWRS-CHWSQXEVSA-N 400.569 5.112 0 40 HKAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(-c3ccccc3)cc2)cc1 8395796 MOLYYCFBCVCPCI-UHFFFAOYSA-N 412.489 5.719 0 40 HKAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 8479918 DDSSKTBGCPZRBK-FQEVSTJZSA-N 411.860 5.506 0 40 HKAB FC(F)(F)c1cc(C(F)(F)F)c2ccc3nnc(-c4cccc(Cl)c4)n3c2n1 8857336 NDAVYNFNUNSXQZ-UHFFFAOYSA-N 416.712 5.636 0 40 HKAB COc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccccc2Cl)cc1O 9160411 DHLDCHIZXWQIDR-UHFFFAOYSA-N 422.868 5.816 0 40 HKAB Cc1ccc(-n2ncc3c2ncn2c(Cc4cccc5ccccc45)nnc32)cc1Cl 9209598 XFKAIFZDYLRTID-UHFFFAOYSA-N 424.895 5.169 0 40 HKAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cc1Cl 9266516 OJJFAUJSSRSBLG-UHFFFAOYSA-N 416.912 5.820 0 40 HKAB C[C@@H](Sc1nnc(-c2cccc(Br)c2)o1)C(=O)c1ccc(Cl)cc1 9465120 VBHODSWQXQJIIU-SNVBAGLBSA-N 423.719 5.516 0 40 HKAB CC(C)N1CCC(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)CC1 9583660 QURLRRKCEQTJDQ-UHFFFAOYSA-N 407.945 5.158 0 40 HKAB CC(=O)c1cccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 9587419 LKZJBKKVERTGGZ-UHFFFAOYSA-N 421.305 5.337 0 40 HKAB Cc1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)c2nc3ccccc3s2)cc1F 9737905 XHIIVQLRYLZNIZ-FQEVSTJZSA-N 420.465 5.249 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(C)c1 10128882 CNIWYLVQLWEHPZ-UHFFFAOYSA-N 419.864 5.683 0 40 HKAB Cc1cc(-c2nn3c(-c4ccc(Br)cc4)nnc3s2)c2ccccc2n1 10311563 LLUJILBFPMJWKD-UHFFFAOYSA-N 422.311 5.139 0 40 HKAB Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3Cl)cc2)cc(OC(C)C)n1 11027699 NGZIRCILMACOMD-UHFFFAOYSA-N 411.893 5.613 0 40 HKAB CCc1cc2c(-c3sc4nc(C)cc(C)c4c3-n3cccc3)cc(=O)oc2cc1O 11865372 SKBPZIGNIXADAG-UHFFFAOYSA-N 416.502 5.745 0 40 HKAB biogenic CCc1cc(-c2n[nH]c(N)c2-c2nc(C)cs2)c(O)cc1OCc1ccc(F)cc1 11867304 YZKJEVKPFSPNFH-UHFFFAOYSA-N 424.501 5.077 0 40 HKAB Cc1occc1-c1nc(NCc2ccc(Cl)c(Cl)c2)ncc1-c1cnccn1 12252991 PAQYVFXXSKVGCC-UHFFFAOYSA-N 412.280 5.421 0 40 HKAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccc(Cl)cc1F 12758922 PHXDHWXMMHOOSJ-OAQYLSRUSA-N 400.906 5.127 0 40 HKAB Cc1ncc(-c2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2)o1 12762475 YIRHNMNOFPVZFV-UHFFFAOYSA-N 416.808 5.123 0 40 HKAB CCOc1cc2c(cc1NC(=O)Cc1sc(C)nc1-c1cccs1)O[C@H](C)C2 12917991 JQHCCXHYZTXLLA-GFCCVEGCSA-N 414.552 5.083 0 40 HKAB CC1CCN(Cn2nc(Cc3ccccc3)n(-c3ccc(Cl)cc3)c2=S)CC1 13070586 ZUJGIHKACMPWSR-UHFFFAOYSA-N 412.990 5.337 0 40 HKAB COc1ccc([C@H]2OC[C@@]3(COC(=O)Nc4ccccc4)[C@@H](C)C=C(C)[C@@H]2[C@@H]3C)cc1 13424923 OGCHLIHOPGTPPY-LJEOTMSQSA-N 421.537 5.850 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2cccc3ccccc23)c(Br)c1 14649474 IWBIDVJLIYGRAZ-UHFFFAOYSA-N 412.327 5.917 0 40 HKAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(OCc2ccccc2)c1 14783595 QOMXBULYLSCTKS-OAQYLSRUSA-N 423.512 6.339 0 40 HKAB Cc1nn(-c2ccccc2)c2nc3ccc(Cl)cc3c(-c3ccc(Cl)cc3)c12 16266077 SFVZGEIHXBTNGU-UHFFFAOYSA-N 404.300 6.856 0 40 HKAB CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)cc1 17123179 WSCOKSJXHBGGDM-FGZHOGPDSA-N 419.521 5.273 0 40 HKAB CC(C)CC(=O)N1CCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19446419 NQBCDFNGVOYQRV-OAQYLSRUSA-N 419.504 5.131 0 40 HKAB Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCCN2Cc2c(C)nn(C(C)C)c2C)n1 19691915 ZPIAYXTYJZOSPK-AREMUKBSSA-N 420.576 5.851 0 40 HKAB CC(C)C[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccccc1 20451159 ZIWJLDRLXKKHQB-KRWDZBQOSA-N 410.739 5.385 0 40 HKAB O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CCC(c2nc3ccccc3s2)CC1 23500048 OVHSUOFXQNHDLM-UHFFFAOYSA-N 424.909 5.076 0 40 HKAB COc1ccc([C@H]2CCCCCN2C(=O)/C=C/c2c(Cl)nc3sccn23)cc1 24392468 BSJDQHPCYJXKBW-SXSDINLZSA-N 415.946 5.215 0 40 HKAB CC(=O)N(CCC1(Cc2ccc(Cl)cc2)CCCCC1)[C@H]1CCOC(C)(C)C1 32073894 BSKOLQRQEJUBOJ-QFIPXVFZSA-N 406.010 6.029 0 40 HKAB C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1 32623194 QRVVQFUZPPDNQG-CQSZACIVSA-N 421.403 5.088 0 40 HKAB O=C(NCc1ccccc1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 36367191 KKQTUSNHBHKDAC-DEOSSOPVSA-N 410.517 5.060 0 40 HKAB CC(=O)O[C@H]1CCc2c(ccc3c2CC[C@]2(C)[C@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@@H]32)C1 36372321 KREGYMYHIDTTHK-YVZLOOKWSA-N 424.669 7.262 0 40 HKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 39724051 JRYRHOCMZPDNSQ-JTQLQIEISA-N 410.351 5.631 0 40 HKAB CC[C@@H](C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1)c1ccccc1 40111855 XFICYPKLUPGRLX-HXUWFJFHSA-N 406.457 5.219 0 40 HKAB CC(C)c1ccc(NC(=O)c2cccc(NS(=O)(=O)Cc3ccccc3)c2)cc1 40146491 SULOAWFJYPGYBB-UHFFFAOYSA-N 408.523 5.004 0 40 HKAB C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 44934025 AREAQPWKKBKVBK-WMLDXEAASA-N 409.332 5.222 0 40 HKAB NC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1 51330109 BERCUEVWTKEGAG-FFTGWUTASA-N 400.309 5.669 0 40 HKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 57313866 JNELTKVUDVQPFY-UHFFFAOYSA-N 403.103 5.552 0 40 HKAB C[C@@H]1CN(Cc2ccccc2F)CCN1Cc1ccc2c(c1)c1ccccc1n2C 57731463 VWUHOHYUGQNLLV-LJQANCHMSA-N 401.529 5.177 0 40 HKAB CC(C)(C)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)cc1 59483721 RUEXYGKMVRUAJR-JOCHJYFZSA-N 408.904 6.548 0 40 HKAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)N(C)Cc5ccccn5)cc34)co2)cc1 96154313 MPYKVCLVEIMARQ-UHFFFAOYSA-N 424.460 5.125 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1 100664053 QXMLLPPWQYFRSJ-IJEZIDCYSA-N 407.469 5.190 0 40 HKAB Cc1ccc(N2C(=O)N(C(=O)c3cccc(F)c3)[C@H]3C[C@@]2(C)Oc2ccccc23)cc1 101269587 JQYFAVOHYRLXEE-SQJMNOBHSA-N 416.452 5.457 0 40 HKAB Cc1c(C(=O)N[C@@H](CCN2CCCCC2)c2ccccc2)n(C)c2ccc(Cl)cc12 141595800 MCMCXHVIIFCKQH-QFIPXVFZSA-N 423.988 5.487 0 40 HKAB CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1cccc2ccccc12 219337442 QXTIZXIDGGVWLH-HSZRJFAPSA-N 405.538 5.535 0 40 HKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(C)cc2)o1 222869041 WRVRTDGSIBRZNM-SFTDATJTSA-N 409.580 5.517 0 40 HKAB CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 223343229 SVMKVZUVDHWHKA-SANMLTNESA-N 414.549 5.181 0 40 HKAB CCCCOCc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OC 224440208 PRBCQEFYOJUNQB-UHFFFAOYSA-N 417.549 5.855 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc(Cl)cc1 224504640 HPLKFACFBRKCRK-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)NCCC3=CCCCC3)o2)c1 224897560 IMYCNJVWOCDLJA-UHFFFAOYSA-N 402.494 5.638 0 40 HKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 225124704 ISNSPBSHGKHFRN-VXKWHMMOSA-N 422.613 5.383 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(Br)c(C)c1 225677966 IBQFEGICPPBWIV-KRWDZBQOSA-N 419.388 5.655 0 40 HKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C(F)(F)F 225778342 VIWRKYIVPSCOMS-UHFFFAOYSA-N 413.823 5.054 0 40 HKAB CCOC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226327062 ZHMOOVCQBYQSGQ-UHFFFAOYSA-N 404.087 5.512 0 40 HKAB COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1 245391883 MDGYGSZQYJUTBN-ZBBBRXIGSA-N 408.582 5.373 0 40 HKAB CCOc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 408622013 PEMVKZRDOLTRKQ-FMIVXFBMSA-N 402.277 6.304 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4C)C3)cc2)cc1 408644219 SBDVAWLMDWSBCF-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB COc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2cccc(C)c2)n1 408698776 PLMRBAWLQBPGJP-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB O=C(Nc1cccc(F)c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 408698865 SITACHTUKVFYBY-UHFFFAOYSA-N 410.811 5.118 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccc(Cl)cc2)c1 408699132 VCEKJLGZMTZLEU-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C(c1ccc(-c2ccccc2)cc1)N1N=C(C2CCCCC2)C[C@]1(O)C(F)(F)F 409362960 UGZJLYXIDIEEMM-QFIPXVFZSA-N 416.443 5.387 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)cc1 859835 GTAVQTKMCVWIDJ-UHFFFAOYSA-N 401.919 5.418 0 40 HKAB Cc1ccc(-c2ccnc3nc(Sc4ncc(C(F)(F)F)cc4Cl)nn23)cc1 1382297 AYEPUKQPOJNJTO-UHFFFAOYSA-N 421.835 5.318 0 40 HKAB CCCCCCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 1826473 FOASKWUIVCXLCG-UHFFFAOYSA-N 413.656 6.989 0 40 HKAB Cc1ccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)c(C)c1 2117181 XLQARSPLVQJDEA-UHFFFAOYSA-N 411.501 5.666 0 40 HKAB biogenic CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1 2221898 HFEULPVHLCKVSF-UHFFFAOYSA-N 401.491 5.184 0 40 HKAB COc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1 2396815 FWCNLGILMHVFKW-UHFFFAOYSA-N 421.953 6.197 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3c(-c4ccccc4)noc3C)sc2C)cc1 3331248 FWSDRCRZSOCONI-UHFFFAOYSA-N 405.479 5.343 0 40 HKAB CCC(=O)c1cc(Br)ccc1OC(=O)Cc1coc2cc(C)c(C)cc12 3344528 RIXIXQIURQCFMH-UHFFFAOYSA-N 415.283 5.553 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2ccc(C)cc2C)cc1 3416265 HVSWTZHPCSJDTC-JQIJEIRASA-N 407.517 6.116 0 40 HKAB Cc1ccc(-c2nnc(S[C@H](C)c3ccccc3)n2-c2ccc(Cl)cc2)cc1 3449400 VTUCOCQTLQEARK-QGZVFWFLSA-N 405.954 6.749 0 40 HKAB CCOc1ccc2c(c1)[C@H](OC(C)=O)C(C)(C)[C@H](c1ccc(Br)cc1)N2 3644668 JTMJWQFQFQGGFK-PMACEKPBSA-N 418.331 5.645 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc4ccccc4c2)N3)C1 4553668 XNPBHYAYWDRBEJ-PGRDOPGGSA-N 404.579 6.871 0 40 HKAB O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc2oc3ccccc3c2c1 4717783 UZRRKYFEQTWULM-UHFFFAOYSA-N 413.498 5.654 0 40 HKAB Cc1ccccc1-c1noc(CSc2nnc(-c3ccccc3F)n2C2CC2)n1 5332621 CQRODNGRMTVLJB-UHFFFAOYSA-N 407.474 5.070 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(OCc2ccccc2)c1 6053757 XWQZHSCXDRCQKC-UHFFFAOYSA-N 405.803 6.190 0 40 HKAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2ccccc2Cl)cc1 7156383 PIRZDQWUGWLDQH-QFIPXVFZSA-N 420.896 5.105 0 40 HKAB C[C@H]1CCc2sc(-c3nnc(SCC(=O)c4c[nH]c5ccccc45)o3)cc2C1 8328091 SUPCZECMPFIDCU-LBPRGKRZSA-N 409.536 5.379 0 40 HKAB O=c1c2ccccc2nc(/C=C\c2cccc(Br)c2)n1-c1ccc(O)cc1 8431904 XWPFAKLRZIYFKY-JYRVWZFOSA-N 419.278 5.024 0 40 HKAB CC(=O)c1ccc(OCCCC(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc1 8734676 VGFAMGPOCFATQG-UHFFFAOYSA-N 422.506 5.013 0 40 HKAB Cc1cc(CSc2ccccc2C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)no1 8861554 JIHFYFQFMLHFSQ-UHFFFAOYSA-N 422.506 5.569 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 9190334 XBPUHAWHHZXTSQ-UHFFFAOYSA-N 402.494 5.009 0 40 HKAB CCOc1ccc(C(=O)Oc2cc(-c3ccc(OC)cc3)c3oc(=O)sc3c2)cc1 9430708 AZIFKZSTMUUUTN-UHFFFAOYSA-N 422.458 5.148 0 40 HKAB Brc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)s1 9593086 YLASXUIRBMWQIW-UGSOOPFHSA-N 417.353 5.814 0 40 HKAB Cc1ccc(OCCCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1 11667362 BNUJADXNZKUKLI-LJQANCHMSA-N 417.509 5.288 0 40 HKAB Cc1cc(C)cc(NC(=O)Cn2c(SCc3ccccc3)nc3ccccc32)c1 12658164 VKIBVHDIBYFRBH-UHFFFAOYSA-N 401.535 5.584 0 40 HKAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)N(c1ccccc1)C(=O)N2 13122359 KOTRBTHIJPIPTJ-JOCHJYFZSA-N 414.896 5.976 0 40 HKAB CC1(C)C[C@]2(CCO1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 13583097 YIVYQIXTTHHSIR-KNQAVFIVSA-N 417.336 5.822 0 40 HKAB COc1cc(-c2nc(SCc3ccccc3)nc3c2CCCC3)cc(OC)c1OC 16195291 NBMJWROFJJHDDA-UHFFFAOYSA-N 422.550 5.341 0 40 HKAB CCOc1cc(CN(Cc2ccc(-n3cccn3)cc2)C2CC2)ccc1OC(F)F 16419441 UCUNODOXOXBPMA-UHFFFAOYSA-N 413.468 5.037 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Br)cc1F 19933074 YHPAYUUYRZBKCS-SFHVURJKSA-N 402.263 5.538 0 40 HKAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1sc2cc(Cl)ccc2c1Cl 20139562 PMXSCTZUHJDGTL-UHFFFAOYSA-N 418.301 6.213 0 40 HKAB Cc1ccc([C@@H](NS(=O)(=O)Cc2c(Cl)cccc2Cl)c2ccccc2)cc1 20494341 UYOJKFYJIITAHW-NRFANRHFSA-N 420.361 5.511 0 40 HKAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1 20609983 RLHAIWIDQHEQCI-KRWDZBQOSA-N 400.482 5.159 0 40 HKAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(Cl)cc1Cl 21389733 YPUWMXIXRAWCIV-GFCCVEGCSA-N 407.272 5.598 0 40 HKAB C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc2ccccc2c1 27320522 VSEJYLNXVUIBHE-HNNXBMFYSA-N 406.432 5.583 0 40 HKAB CCc1ccc(N(C(=O)Cc2noc3ccccc23)c2nc3ccccc3s2)cc1 28242745 PNETYCFSSVZEKC-UHFFFAOYSA-N 413.502 5.907 0 40 HKAB COc1ccc(SCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1OC 30858620 HWMXKRQFTIZNNP-DEOSSOPVSA-N 407.535 5.010 0 40 HKAB CC(=O)c1cccc(NC(=O)CSCc2coc(-c3ccc(Cl)cc3)n2)c1 31423475 WREIYHSRHBDLEQ-UHFFFAOYSA-N 400.887 5.070 0 40 HKAB O=C(Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1)c1ccc(Cl)cc1 59417201 VRFQDRKZUMABDA-UHFFFAOYSA-N 409.766 6.543 0 40 HKAB COc1cc(/C=C/C(=O)OC(C)C)cc(Br)c1OCc1ccccc1 62714999 HMUAICUNQTYOFX-MDZDMXLPSA-N 405.288 5.002 0 40 HKAB FC(F)(F)Oc1cccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)c1 71760809 YHQFPEXFZJBGCT-UHFFFAOYSA-N 418.440 5.973 0 40 HKAB CCOCc1ccc(C(=O)N2CCC[C@H](c3cc(-c4ccccc4)cc(C)n3)C2)cc1 72370027 BUAYEPMVIBSQMY-DEOSSOPVSA-N 414.549 5.613 0 40 HKAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C(C)=O)c2)C12CCCC2 72401228 UDQFZDDNHXYBAZ-GAJHUEQPSA-N 418.537 5.179 0 40 HKAB CCOc1ccc2c(c1)NC(C)(C)c1ss/c(=N/c3ccc(Cl)c(F)c3)c1-2 100527824 GVTFPHUGRWAGKB-FCDQGJHFSA-N 420.962 6.561 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CCCC[C@]4(C)[C@H]3CC[C@@]21C 118913875 HKHHYUSFWJROEJ-MLJTXFIHSA-N 404.679 6.584 0 40 HKAB biogenic,in-vitro COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3)o2)cc1 224909856 VINCGBOOFDVZLI-UHFFFAOYSA-N 400.434 5.278 0 40 HKAB CC(C)Sc1nnc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)s1 225053211 MKCKKCXPEARZFS-UHFFFAOYSA-N 419.959 5.523 0 40 HKAB Fc1cccc(Cl)c1CSCCNC(=S)Nc1cccc(C(F)(F)F)c1 225367602 MCEXZHFHSPAEMF-UHFFFAOYSA-N 422.900 5.718 0 40 HKAB Cc1ccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225527585 GDZZPTMSZGRRBR-NRFANRHFSA-N 422.613 5.167 0 40 HKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCC)c(C(=O)OCC)c1 225826963 LLMLNPQRNMWECQ-HSZRJFAPSA-N 407.551 5.356 0 40 HKAB Cc1cccc(C2(NC(=S)Nc3ccc(Br)c(C)c3)CCCC2)c1 225853963 XWFKGKZXOCNGBJ-UHFFFAOYSA-N 403.389 5.822 0 40 HKAB Cc1ccc(NC(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)O)cc1 247992866 NOCDKRIOXMJXFY-ZYQDXHPFSA-N 411.501 5.388 0 40 HKAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc(Cl)c1OC 260775136 PLWZYKJNRRUCJQ-GDIGMMSISA-N 417.962 5.122 0 40 HKAB CC(C)Oc1ccc2ccccc2c1CNc1ccc(Br)c(Cl)c1 408554225 CLFYAYGWWVSXKF-UHFFFAOYSA-N 404.735 6.655 0 40 HKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2CC)cc1 408674723 BPTAUUBIZQLKMX-UHFFFAOYSA-N 412.489 5.389 0 40 HKAB C[C@H](CCc1ccccc1)NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408676432 NZFXRCBYEKUTKF-GOSISDBHSA-N 414.480 5.066 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccccc2)cc1Cl 408695082 ORPPSTDLBHZGLM-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB COc1cc(CNc2ccccc2C)cc(Cl)c1OCc1ccccc1Cl 409121747 XRKWXXNPEREUCH-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB Cc1cccc(OCc2ccc(C(=O)Oc3ccc(Cc4ccccc4)cc3)cc2)c1 409180926 ZEMGXQCGHRZEIL-UHFFFAOYSA-N 408.497 6.384 0 40 HKAB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3F)n2C)cc1 409193461 DFQHRKHPFRXTRZ-LCUIJRPUSA-N 418.493 5.309 0 40 HKAB CCOc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(C)c(C)c3)sc2C)cc1 409204701 JMGYYLCHNZJMHB-UHFFFAOYSA-N 422.550 5.736 0 40 HKAB Nc1c(C(=O)Nc2ccccn2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 706142 AZVJRYRWSYNJDA-UHFFFAOYSA-N 420.441 5.273 0 40 HKAB CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(OC)c(OC)c4)c3)nc2c1 849034 HVRKFVZVQWPPQH-UHFFFAOYSA-N 402.450 5.327 0 40 HKAB O=C(NCc1ccccc1)c1ccc(Nc2ccc(OCc3ccccc3)cc2)nc1 1341026 RNYQNLOFVMOQBG-UHFFFAOYSA-N 409.489 5.334 0 40 HKAB COc1cccc(Oc2coc3cc(OC(=O)c4ccc(Cl)cc4)ccc3c2=O)c1 1448042 RLUFWSNDJYPXFG-UHFFFAOYSA-N 422.820 5.467 0 40 HKAB biogenic CCCOc1ccc(NC(=O)COc2cc(C)c(Br)cc2C(C)C)cc1 1786357 KOVXCZPDGGWNBN-UHFFFAOYSA-N 420.347 5.687 0 40 HKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCCOc1ccc(F)cc1 1906341 SZAQYAZTUJPFJE-UHFFFAOYSA-N 422.887 5.715 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)sc2c1CCCCC2 2084795 RMMNLSLYWHRQIJ-CYBMUJFWSA-N 421.946 5.253 0 40 HKAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1cccc(C(F)(F)F)c1)CO3 2117253 MZQTXRXSHZZAAO-UHFFFAOYSA-N 423.390 5.835 0 40 HKAB biogenic Cc1ccccc1C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1 2425692 JAFQMPUUUYQRER-UHFFFAOYSA-N 404.849 5.949 0 40 HKAB biogenic CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(C(C)(C)C)cc1 2451563 SSOQUXLKXGOROE-UHFFFAOYSA-N 412.534 5.132 0 40 HKAB COc1ccccc1NC(=O)CSc1nnc(Nc2ccc(C(C)C)cc2)s1 2616736 LJWQGUAOAOUONY-UHFFFAOYSA-N 414.556 5.145 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)o1)N(Cc1ccccc1)Cc1ccccc1 2619319 YBNTULPMZMEJQQ-UHFFFAOYSA-N 415.518 5.058 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(C)c1 2727597 NTOUKUUSZOVYMP-UHFFFAOYSA-N 422.575 5.998 0 40 HKAB CCCN(CCC)P(=O)(/C=C(\Cl)c1ccccc1)/C=C(/Cl)c1ccccc1 3164313 KYMRQWADFKWTHC-QGFZOGOGSA-N 422.336 7.861 0 40 HKAB CCCCOC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)OCCCC 3175641 OXFFYCMTRGFSGY-SNDHGLFQSA-N 406.522 5.196 0 40 HKAB C[C@@H](Sc1ncnc2ccccc12)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3245827 PCYBLWJXWQCOKA-SECBINFHSA-N 412.729 5.709 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccccc1OCc1ccc(F)cc1 3281745 NDAUVPDGXIVPJL-UHFFFAOYSA-N 411.476 5.924 0 40 HKAB COc1cccc(N(C(=O)/C=C/c2cccc(F)c2)c2nc3ccccc3s2)c1 3399665 WYNMIWHADYWRKO-OUKQBFOZSA-N 404.466 5.822 0 40 HKAB Cc1[nH]c2ccccc2c1[C@H]1[C@@H](CCNC(=O)c2ccc(Cl)cc2Cl)C1(C)C 3765614 YKJXQGJNRWZOPV-DYESRHJHSA-N 415.364 6.343 0 40 HKAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)c1 4089805 RQCYNKKHHMEEMO-UHFFFAOYSA-N 416.546 5.564 0 40 HKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccc(Br)cc3)[nH]2)c(C)c1 4129645 PLJXOOWMJQIFRN-UHFFFAOYSA-N 416.344 5.187 0 40 HKAB O=C(CCCc1ccccc1)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1 4167078 UWADGRDGNMZIMR-UHFFFAOYSA-N 418.484 5.511 0 40 HKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)NCC1CCCCC1 4588466 BMRNBFYPHOUKGE-UHFFFAOYSA-N 409.530 5.225 0 40 HKAB Cn1c(C(=O)NCCc2ccc(Cl)cc2)cc2cc(Oc3ccccc3)ccc21 4678078 JULGTTBIVUHLAA-UHFFFAOYSA-N 404.897 5.597 0 40 HKAB COc1cc2c(cc1NC(=O)COc1cccc3c1OC(C)(C)C3)oc1ccccc12 4694124 CVSGTLLBHCWHBD-UHFFFAOYSA-N 417.461 5.326 0 40 HKAB O=C(CSc1nc2cc(C34CC5CC(CC(C5)C3)C4)ccc2o1)c1ccccc1 4760903 CSLUQGPPZVJGNO-UHFFFAOYSA-N 403.547 6.271 0 40 HKAB COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1OC 4837538 CSVIORRTOUEWIP-RDPSFJRHSA-N 420.896 5.600 0 40 HKAB Cc1cc(Nc2ccc(Cl)cc2)nc(SCc2ccc(Cl)cc2Cl)n1 4976965 BSOUFHSKMUXVCO-UHFFFAOYSA-N 410.757 6.781 0 40 HKAB O=C(CSc1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1O 5603355 IHZVBQIFXHKQOF-UHFFFAOYSA-N 407.516 5.556 0 40 HKAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1 5632301 NFXFSWNEEHVQGH-UHFFFAOYSA-N 400.865 6.010 0 40 HKAB C[C@H](Sc1nnc(NCc2ccccc2)s1)c1nnc(-c2cccs2)o1 6842413 OJVAFXCPXJMPJO-NSHDSACASA-N 401.542 5.115 0 40 HKAB COc1cc(CNc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 6967701 CDSISAOEYYUWJI-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB Cc1ccc(-n2c(SCc3cc(-c4ccccc4)on3)nnc2N2CCCC2)cc1 8194672 FIMBQWFJFMIZID-UHFFFAOYSA-N 417.538 5.123 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1nnc(SCc2ccccc2)s1 8335040 BUSSIMQKLKLWJI-UHFFFAOYSA-N 407.973 5.215 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 8723939 YPSPJYUHQRLKPI-IBGZPJMESA-N 410.533 5.563 0 40 HKAB COc1ccc(Oc2cn[nH]c2-c2ccc(OCc3ccccc3C)cc2O)cc1 8743208 NDYHGEGDJCWQPX-UHFFFAOYSA-N 402.450 5.471 0 40 HKAB Cc1ccc(-c2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)cs2)cc1 9454163 GPYUJYDXLHBHDX-UHFFFAOYSA-N 418.591 5.928 0 40 HKAB CCOc1cccc(-c2nnc3sc(COc4ccc(Cl)cc4Cl)nn23)c1 9459602 ZPDZRYHXDBIAFL-UHFFFAOYSA-N 421.309 5.137 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](Nc2cccc(N3CCCC3=O)c2)c2ccccc2)c1 9468884 XKZSBGXTVPPSNH-RUZDIDTESA-N 413.521 5.222 0 40 HKAB Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2c(-c3ccccc3)[nH]c3ccccc23)o1 9667299 XFJKIBPNIVQSOQ-HHHXNRCGSA-N 418.496 6.482 0 40 HKAB O=C(NCc1csc(-c2ccccc2)n1)c1ccc(C2SCCCS2)cc1 10893903 LKKICEDMNWSIAX-UHFFFAOYSA-N 412.605 5.609 0 40 HKAB COc1ccccc1OCCSc1nc2ccccc2n1CCOc1ccccc1 12062304 SRVRKIWFZIJPDI-UHFFFAOYSA-N 420.534 5.295 0 40 HKAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CC[C@@H](C)C2)c1nnc(-c2cccs2)o1 12857355 ZHOXXIIDLJKAJX-KGLIPLIRSA-N 419.506 5.389 0 40 HKAB CC(C)[C@H](NC(=O)COc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCCO2 13097014 QSMLXZJEDKLFSO-FQEVSTJZSA-N 424.324 5.047 0 40 HKAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 20493537 ANUBJBUWRDHWNJ-IBGZPJMESA-N 412.382 5.509 0 40 HKAB Cc1ccc(Sc2ccc(NC(=O)c3ccc4c(c3)OCC(=O)N4)cc2)cc1C 22637153 MMPYOWRAFPUZFT-UHFFFAOYSA-N 404.491 5.038 0 40 HKAB O=C(C[C@@H](C(=O)O)c1ccc(F)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 24992641 QPYDDWYWHQOLQB-GOSISDBHSA-N 413.832 5.468 0 40 HKAB Cc1cc(C)cc(N(C(=O)CCNC(=O)C(C)(C)C)c2nc3ccccc3s2)c1 25510544 XTMMCHPVIIWAES-UHFFFAOYSA-N 409.555 5.130 0 40 HKAB COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(F)ccc3F)c3ccccc3n2)c1 28226408 HXSIHPILSBHZQP-UHFFFAOYSA-N 420.415 5.450 0 40 HKAB COc1ccccc1OCc1ccc(C(=O)Nc2ccc(Br)cc2F)o1 28231033 NTHHGEHZTMDRMP-UHFFFAOYSA-N 420.234 5.021 0 40 HKAB COc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)c2ccccc2OC)cc1 28288731 SJFXYLRHOSPBHL-DEOSSOPVSA-N 400.478 5.047 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)cc1 32623207 FCDIGMPGRZEIJS-UHFFFAOYSA-N 417.440 5.123 0 40 HKAB O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1)c1cc(-c2cccs2)on1 32623319 UKXSKWHHVWRXFC-SFHVURJKSA-N 415.946 5.014 0 40 HKAB Cc1ccc(Sc2ccc(NC(=O)c3cnc4cc(C)ccn4c3=O)cc2)c(C)c1 32926098 RLBLHQKHTFPBIS-UHFFFAOYSA-N 415.518 5.023 0 40 HKAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1Sc1ccccc1 33858501 ZUZHTSFJHYQQHR-UHFFFAOYSA-N 405.928 5.301 0 40 HKAB COc1ccc(C(=O)c2sc3nc4c(c(-c5ccncc5)c3c2N)CCCC4)cc1 35326337 IVVADQLORSGXIQ-UHFFFAOYSA-N 415.518 5.059 0 40 HKAB COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C=C[C@@](C)(CC[C@H]21)C3 35459251 CNEWEMXPRRKCTL-ALGSGBDSSA-N 402.575 5.452 0 40 HKAB biogenic,in-vitro CC(C)(C)c1cc(-c2nc3ncccn3c2Nc2ccccc2)cc(C(C)(C)C)c1O 35615736 GICLNIBDLFFDTG-UHFFFAOYSA-N 414.553 6.441 0 40 HKAB COc1cccc2c(Nc3ccc(C)c(Cl)c3)cc(C(=O)N3CCCCC3)nc12 49003003 SQMBFUUWCMMDOB-UHFFFAOYSA-N 409.917 5.575 0 40 HKAB CC(C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 59323319 XKYBZYIILAXPAF-UHFFFAOYSA-N 411.354 5.004 0 40 HKAB CCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)c(Cl)c3)sc2c1 59483475 MFCNNBUWLJJVSU-UHFFFAOYSA-N 419.959 5.337 0 40 HKAB CC(C)Sc1ccccc1C(=O)Nc1nnc(SCc2ccccc2)s1 69252325 NGRWCQIDTCOVOF-UHFFFAOYSA-N 401.582 5.583 0 40 HKAB O=C(c1ccccc1)N1CCCCC[C@H]1C1CCN(c2nc3ccccc3o2)CC1 69776658 WZGROUNGNIRBGI-QFIPXVFZSA-N 403.526 5.129 0 40 HKAB C[C@H]1C[C@@]2(C)Oc3ccccc3[C@H]3OC[C@@]1(COC(=O)Nc1ccccc1)[C@@H](C)[C@H]32 100428140 UONFBIWUOHBYQS-QNRNBLPNSA-N 407.510 5.436 0 40 HKAB CCCCn1cnc2c(c1=N)[C@@H](c1ccc(OC)cc1)c1c(ccc3ccccc13)O2 101141220 ACKZCVGEDJSVCU-QFIPXVFZSA-N 411.505 5.610 0 40 HKAB C[C@]12CC3CC(NC(=O)c4ccc(-c5cc(Cl)ccc5Cl)o4)(C1)C[C@](C)(C3)C2 101195984 PPKDQDBXDXIFFT-SOCOAQSPSA-N 418.364 6.732 0 40 HKAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCC(C)C 106698300 VXRLSRYKJNRHHO-JAIQZWGSSA-N 415.486 5.106 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 197793719 XZZTZVCPQFIBGS-JQBYJRRVSA-N 420.295 5.390 0 40 HKAB O=C(O)/C(=C/c1cccc(OCc2ccccc2)c1)Sc1nc2ccccc2o1 211501217 YTSCJGRYNIWXKK-STZFKDTASA-N 403.459 5.625 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1C1CCCCC1 223120307 IRKSUCPJBUJCMD-GOTSBHOMSA-N 402.567 5.178 0 40 HKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1C 224178592 YSVUTIKYTOOFDR-DQEYMECFSA-N 424.573 5.666 0 40 HKAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1cc(C)cc(C)c1 224199396 XBIRBBLNOBIABN-UHFFFAOYSA-N 418.493 5.102 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccccc1C(C)C 224229546 MQAMAHKBNCCOEA-UHFFFAOYSA-N 423.940 6.612 0 40 HKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2sccc2C)cc1Cl 224947928 TWUPQZMCMVJGFH-MSOLQXFVSA-N 415.971 5.291 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c2ccccc12 225751712 SGAVPFVVRRJZNO-UHFFFAOYSA-N 407.941 6.731 0 40 HKAB COc1ccc(-c2nnsc2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225762438 PTCRLJJMWSITKG-UHFFFAOYSA-N 413.808 5.138 0 40 HKAB CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CC(C)(C)C)CC1 257251102 JPJYQOFSUYCJNQ-UHFFFAOYSA-N 420.597 5.029 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccc4ccccc4c3)N21 260755949 CKVQKPLVCNPPOJ-YNJKOYDBSA-N 424.573 6.005 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCCC[C@H]3C)cc2)CCCCC1 260816990 TZYVWCFXTXHMEU-OAQYLSRUSA-N 416.606 5.398 0 40 HKAB CC[C@H](C)c1ccccc1OC(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408662140 MQVHYSNNEMHWQK-UONOGXRCSA-N 406.309 5.465 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(Cl)cc2)nc1-c1cccc(Cl)c1 408693754 CZTKLPDETJPKBG-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB O=C(CSCc1cccc(Br)c1)Nc1cc(Cl)cc(Cl)c1 408776023 MIWGVPJREFXADO-UHFFFAOYSA-N 405.144 5.628 0 40 HKAB COc1ccc(-c2sc(NC(=O)c3cccc(Cl)c3)nc2-c2ccccc2)cc1 408822352 LTJQKFPEJHIIBT-UHFFFAOYSA-N 420.921 6.391 0 40 HKAB O=C(c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCSCC1 408977872 KIIPXNLKDSLAEH-UHFFFAOYSA-N 423.588 5.276 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)N(Cc3ccccc3Cl)C2=O)cc1Cl 409015455 RCZAFFCYDBTZOQ-NCUBORBFSA-N 419.308 5.264 0 40 HKAB CCCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 409109163 YUEZAUJYZXGAEL-UHFFFAOYSA-N 422.779 6.063 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Cl 409128119 IOIYNAIMHACPMU-BXUJETTOSA-N 407.963 6.134 0 40 HKAB O=C1S[C@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccc(F)cc1 409139216 BPIOLAPVLPYWTF-JOCHJYFZSA-N 421.493 5.211 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cccc(OCc2ccc(F)cc2)c1 409375370 JTLIIVRZCSFAIL-NRFANRHFSA-N 424.497 5.173 0 40 HKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2C)c1 409380238 AARWLPLIEZWHTJ-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(NC[C@H](c1ccco1)c1cccs1)C1c2ccccc2Oc2ccccc21 585146666 AOIISWDIUZQLJB-GOSISDBHSA-N 401.487 5.527 0 40 HKAB CCOc1ccc(-c2n[nH]cc2-c2nc(-c3ccccc3OCC)no2)cc1Cl 1889302865 PZTFMNDBYWDQDL-UHFFFAOYSA-N 410.861 5.245 0 40 HKAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1 874659 DPPAVCNOAUWULI-UHFFFAOYSA-N 424.913 5.136 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccco4)ncnc32)cc1Cl 1447561 UGQREVOBOOZWCJ-UHFFFAOYSA-N 414.896 6.254 0 40 HKAB O=C(COc1ccc(F)cc1)n1c(SCc2ccc(F)cc2)nc2ccccc21 1467661 FWUPWRYLHUPXBT-UHFFFAOYSA-N 410.445 5.326 0 40 HKAB CCN(CC)CCOC(=O)C(O)(c1ccc(C(C)C)cc1)c1ccc(C(C)C)cc1 1710849 ALYJRISEOMAKIF-UHFFFAOYSA-N 411.586 5.054 0 40 HKAB O=C(/C=C/c1cc(Cl)ccc1Cl)Nc1ncc(Cc2ccc(Cl)cc2)s1 1751190 GVHJMPWGKGVRGM-FPYGCLRLSA-N 423.752 6.346 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccccc4F)c3)nc2c1 1864776 UQEATQLQIPIDBB-CQSZACIVSA-N 422.887 7.053 0 40 HKAB Cc1cnc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)s1 2629118 OWELVMUCDQLPAH-UHFFFAOYSA-N 402.932 5.125 0 40 HKAB O=C(CCCOC(=O)c1c2c(nc3ccccc13)CCCCC2)c1ccc(F)cc1 2632467 IAQAWMRBQUMRCY-UHFFFAOYSA-N 405.469 5.463 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)c(C)c1 2645455 ZQTIGUQGWMUUFL-UHFFFAOYSA-N 414.534 5.230 0 40 HKAB COC[C@H](C)n1c(SCc2csc(-c3ccccc3)n2)nc2ccccc2c1=O 2647578 SHBQWPDPGCMTOB-HNNXBMFYSA-N 423.563 5.020 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3C)c3ccccc3n2)c(OC)c1 2747577 OBPNNILFGRWJMD-UHFFFAOYSA-N 412.489 5.788 0 40 HKAB Cc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)cc2)cc1C 2755814 PAXITKMMAZNONK-UHFFFAOYSA-N 400.305 6.442 0 40 HKAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1cccc(Cl)c1 2889670 LOXSXPBRORXVBQ-UHFFFAOYSA-N 401.871 5.116 0 40 HKAB CC(C)COc1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 3628443 WTDANVROSWPBKH-DEOSSOPVSA-N 422.550 5.037 0 40 HKAB Clc1ccc(/C=C/c2nc3ccccc3n2Cc2cc(Cl)ccc2Cl)cc1 4002577 JXVHBBABVSINPS-KPKJPENVSA-N 413.735 7.215 0 40 HKAB Oc1ccc2cc(-c3nc(-c4ccccc4)cs3)/c(=N/c3nccs3)oc2c1 4588422 XRTPPTFDNWJRDY-CLCOLTQESA-N 403.488 5.618 0 40 HKAB Cc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2c2ccc(C)cc2)cc1 4928782 FLSRZZPGKBDWRP-XMMPIXPASA-N 413.908 6.097 0 40 HKAB CC(C)c1ccc2c(c1)CC[C@H]1[C@](C)(CNCc3ccc(C(=O)O)cc3)CCC[C@@]21C 4942609 CQAXFWGFFLQWMP-MYKRZTLLSA-N 419.609 6.308 0 40 HKAB CCOc1cc(/C=C/c2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)N(C)C 5131221 HZPHESXLGZGEIZ-UKTHLTGXSA-N 422.550 5.155 0 40 HKAB CC(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(C)c(C)ccc3s2)cc1 5265420 VVMRWCATLPCVLC-UHFFFAOYSA-N 415.518 5.358 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Nc3cccc(Cl)c3)c2C(N)=O)C1 5383765 ZGYWKNPCTJAKBK-NSHDSACASA-N 405.951 5.295 0 40 HKAB CCCCCCN(CCCCCC)C[C@@H](O)c1cc2c(c3ccccc13)CCCC2 5973025 VNEARXBVTVNPAZ-MUUNZHRXSA-N 409.658 7.215 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2cccc3ccccc23)cc1OC 6152797 ZOJAMHRMIXMGMY-UHFFFAOYSA-N 414.299 5.652 0 40 HKAB CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2Cl)CC1 6241837 GTXVLCJUIIOMIL-KPKJPENVSA-N 411.977 5.257 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)c1 6255886 UWKSBOSBJHPOAW-UHFFFAOYSA-N 415.493 5.648 0 40 HKAB CCCCC1=N[C@@H]2Sc3c(NCCc4ccccc4)ncnc3[C@@H]2C2=C1CCC2 6309906 VJPVCPKWDBIHAA-GBXCKJPGSA-N 404.583 5.772 0 40 HKAB Brc1ccccc1-c1nnc(SCc2ccccc2)n1-c1ccccc1 6446330 KJIOPARWMRCVDE-UHFFFAOYSA-N 422.351 5.989 0 40 HKAB CCN(C(=O)CSc1nc2ccccc2nc1-c1ccccc1)C1CCCCC1 7263484 BXOXCHXXKMHWQP-UHFFFAOYSA-N 405.567 5.570 0 40 HKAB Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2C[C@@H]2CC2(Cl)Cl)CC1=O 7343664 FMARQULHVSDQAA-HOTGVXAUSA-N 414.336 5.059 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 7987929 WMQGMCKFYCFPLL-CQSZACIVSA-N 400.478 5.122 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C)c2ccc3ccccc3c2)c1 8344900 QQQRPRBBTABGSU-MRXNPFEDSA-N 400.478 5.515 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccc4ccccc4c3)c2)cc1 8451520 KUBLVVDWVOZVFR-UHFFFAOYSA-N 423.468 5.440 0 40 HKAB C[C@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(C(=O)c2c(F)cccc2F)n1 8762999 JAOFSLYCRXXGIP-HNNXBMFYSA-N 422.406 5.796 0 40 HKAB COc1ccc([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 9292719 NODIDDNOQMKCQW-IFMALSPDSA-N 424.331 6.498 0 40 HKAB CC(=O)Nc1ccc(NC(=O)N[C@H](c2ccc(C(C)C)cc2)c2cccs2)cc1 9517074 PFGGRKHECDTORO-JOCHJYFZSA-N 407.539 5.741 0 40 HKAB Cc1nc(Nc2cccc(C(F)(F)F)c2)nc2c1C(=O)C[C@H](c1ccc(F)cc1)C2 10156903 XLHCOLBYMWOLEY-CQSZACIVSA-N 415.390 5.599 0 40 HKAB CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(SCC)cc4)n3)oc12 10750669 SPPXDZYFSGSMJJ-UHFFFAOYSA-N 424.547 6.319 0 40 HKAB Cc1cc(OCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)ccc1Cl 11667261 YCPXIGGOAIBSJA-INIZCTEOSA-N 423.900 5.161 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3cccs3)C[C@@H]21 12196475 RCNGNGKRWOOMEA-WMZHIEFXSA-N 422.575 6.111 0 40 HKAB CCCOc1ccc(-c2cn3c4c(sc3n2)C(=O)C[C@@H](c2ccccc2)C4)cc1 12436633 MJKYIBXHUMCZJJ-SFHVURJKSA-N 402.519 5.764 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccc(C(C)C)cc2)C1 12603405 ZOYFHYMVDWCJLK-ISKFKSNPSA-N 403.545 5.954 0 40 HKAB biogenic,in-vitro CC(C)=CCC[C@@]1(C)C=Cc2c(cc3c(c2O)C(=O)C[C@@H](c2ccc(O)cc2O)O3)O1 13374707 FBVQKNJIYRJQBU-CPJSRVTESA-N 422.477 5.421 0 40 HKAB endogenous,in-man O=C(Nc1nc(-c2cccs2)c(NC(=O)c2ccco2)s1)c1cccc(F)c1 13571016 KZEZSDCPJPNMCL-UHFFFAOYSA-N 413.455 5.108 0 40 HKAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1cc(Cl)ccc1N1CCCCC1 14678964 AJCWBBRBOKQIQG-UHFFFAOYSA-N 424.932 5.342 0 40 HKAB O=C(CN1CCCC[C@@H]1c1cccnc1)N1c2ccccc2Sc2ccccc21 15083155 WIGJXCPPBDQPNC-LJQANCHMSA-N 401.535 5.438 0 40 HKAB CCCC(=O)Nc1nc2ccc(NC(=O)c3cccc(Br)c3)cc2s1 17091343 OVJOWBYRNWDFOJ-UHFFFAOYSA-N 418.316 5.050 0 40 HKAB COc1cc2c(cc1OC)[C@@H](C[C@H](C)c1ccccc1)N[C@@H](c1ccc(C)cn1)C2 19216061 DRJCWFUJRNXAQN-NTUVXCKYSA-N 402.538 5.529 0 40 HKAB C[C@@H](c1cc(Cl)ccc1Sc1cc(Cl)ccc1Cl)N1CCN(C)CC1 19802189 LBZVALDPKCKVAO-ZDUSSCGKSA-N 415.817 6.106 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc4ccccc24)C3=O)cc1 20095916 AASKRIWLTHLDKH-UHFFFAOYSA-N 406.441 5.201 0 40 HKAB COc1ccc(-n2nc(Nc3cccc(C(F)(F)F)c3)c3c2C[C@H](C)CC3=O)cc1 20796883 NSKIKGODKUATEJ-ZDUSSCGKSA-N 415.415 5.408 0 40 HKAB COc1ccc(-n2nc(Nc3ccc(Cl)c(Cl)c3)c3c2C[C@@H](C)CC3=O)cc1 20796995 HGBINLXNNTZEPW-GFCCVEGCSA-N 416.308 5.696 0 40 HKAB COc1ccccc1-c1cc2nc(C)cc(N3CCC(Cc4ccccc4)CC3)n2n1 21150559 PDPNDKKJUVRSCB-UHFFFAOYSA-N 412.537 5.172 0 40 HKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)COc4ccc(Cl)cc4)c3)oc2cc1C 21578869 DCUTUWVXOGZUEV-UHFFFAOYSA-N 420.896 6.091 0 40 HKAB Cc1cc(OCC(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)ccc1Cl 22460978 LELPQLIGQICYGP-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)c1ccc(Cl)cc1 23178239 ZEZBXJRPEYKIOJ-GFCCVEGCSA-N 401.919 5.123 0 40 HKAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1cccc(Oc2ccccc2)c1 27922505 FTJDFISIZICARG-UHFFFAOYSA-N 415.468 5.732 0 40 HKAB Cc1ccccc1N(CC(=O)c1ccc(OC(F)(F)F)cc1)C1=NCCCS1 28527452 CPFPJZJLPGTNTH-UHFFFAOYSA-N 408.445 5.076 0 40 HKAB Cn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1-c1ccc(Cl)cc1 29278098 BACNZUJLYIVVAC-UHFFFAOYSA-N 418.309 5.131 0 40 HKAB CC(C)COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1Cl 32809480 ZDJONWUVOYJVNZ-LBPRGKRZSA-N 404.919 5.060 0 40 HKAB Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c(C)c1 33613730 CRPJQIAPMYZHPE-UHFFFAOYSA-N 401.535 5.432 0 40 HKAB Cc1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)cc3)nc2c1 33787264 SFTLPAKQZUBLDY-UHFFFAOYSA-N 422.484 6.932 0 40 HKAB O=C(CN1CCCCC1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 34718938 IFAGTGSSDRZZGP-NFUVXALQSA-N 413.565 5.296 0 40 HKAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1 38700005 SERHYYVFBXBSBX-UHFFFAOYSA-N 424.422 5.551 0 40 HKAB COc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1OC(F)F 40120815 PCFHAPFPUWXQMH-GOSISDBHSA-N 421.490 5.208 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2cc(C)ccc2C)sc2c1CCCC2 44849272 BDIRKXAOHSDJOB-QGZVFWFLSA-N 415.555 5.217 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c1 46078955 YROHHLYJMKJKQP-UHFFFAOYSA-N 402.469 5.288 0 40 HKAB Cc1ccc(-c2nc(C)c(C(=O)NC(C)(C)c3noc(C(C)(C)C)n3)s2)c(C)c1 63958726 DPWDOKZNDOBMAG-UHFFFAOYSA-N 412.559 5.081 0 40 HKAB CCCn1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c(=O)c2cc(C)ccc21 64963696 ZKLSBHPMGDSETL-UHFFFAOYSA-N 413.399 5.456 0 40 HKAB O=C(N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)C1(c2cccs2)CCCC1 70635465 QISFMNVMEVMBQS-QGZVFWFLSA-N 409.473 5.179 0 40 HKAB COc1ccc(-c2nc(Cl)cc(-c3ccc(Br)cc3)n2)cc1OC 78401303 RKTMZKDSSLSRHQ-UHFFFAOYSA-N 405.679 5.244 0 40 HKAB O=C(Nc1ccc(Cl)cc1)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 84723666 CXOKUHSDIISOGV-QFIPXVFZSA-N 420.896 5.042 0 40 HKAB COC(=O)c1c(NC(=O)c2cccc(OCc3ccccc3)c2)sc2c1CCCC2 218976776 ZOWABKKCWJZXKC-UHFFFAOYSA-N 421.518 5.245 0 40 HKAB CC(C)c1ccc(CCCNC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 219692087 SYXHUWSEBURSCU-MRXNPFEDSA-N 404.348 5.089 0 40 HKAB C[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc2c(c1)OCCO2 222721357 KRXKEPMIHCGQCD-MRXNPFEDSA-N 423.896 5.181 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223921632 VVLBISRSUOWYLB-UHFFFAOYSA-N 408.523 5.172 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)c1 224252074 PGYHITCBDBACFU-PKTZIBPZSA-N 402.567 5.484 0 40 HKAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1CSc1ccccc1 224331116 FESZBQQBFULAJW-UHFFFAOYSA-N 406.507 5.198 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1cc(C)cc(C)c1C 224607272 OOMRGLLTIOYUOH-OAQYLSRUSA-N 417.549 6.081 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccccc1Cl 224932611 SZUMMJHGLBRYPN-JOCHJYFZSA-N 418.002 5.426 0 40 HKAB Cn1c(/C=C2/SCCN2C(=O)c2ccc(Cl)cc2Cl)nc2ccccc21 225236655 SLQFUUCYGRQJMA-WOJGMQOQSA-N 404.322 5.068 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c2ccccc2O1 225285159 DRYIEEZBHKBLOE-HSZRJFAPSA-N 417.553 5.361 0 40 HKAB COC(=O)c1cc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)ccc1Cl 225674847 XHSONNBPAPEUMQ-KRWDZBQOSA-N 418.946 5.024 0 40 HKAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c1 225768133 YAFAJDSLLAPDQZ-QHCPKHFHSA-N 418.562 5.474 0 40 HKAB Cc1ccc(CCC(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1C 225874155 SOLMLPFDMCDRQK-UHFFFAOYSA-N 409.982 6.820 0 40 HKAB COc1ccc(NC(=O)C(Cc2ccccc2)(Cc2ccccc2)c2ccccc2)cn1 225944235 FKKRBWOCSCAWAT-UHFFFAOYSA-N 422.528 5.452 0 40 HKAB COC(=O)c1c(C)n(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c2ccccc12 226764827 IZGQSXYDMFHPOD-UHFFFAOYSA-N 411.816 5.477 0 40 HKAB O=C(O)/C(=C/c1ccccc1OCc1ccccc1F)Sc1nc2ccccc2o1 408634123 PJKLYRNRYNYBQT-BKUYFWCQSA-N 421.449 5.764 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(F)cc2)c(C)c1 408695844 TWUCPUJJXWXJHE-UHFFFAOYSA-N 404.420 5.082 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)c1C 408697626 ISGZWBSZLFFSIG-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2ccccc2Cl)nc1-c1cccc(Cl)c1 408700018 YKVOERPCFVFMEX-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB COc1cc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)ccc1C 408812584 PCLQLAGOCCAFFK-JUCCXITFSA-N 421.586 6.058 0 40 HKAB CC(C)(C)c1cc(C(=O)OC(c2ccccc2)c2ccccc2)cc(C(C)(C)C)c1 409183845 UANTYYVUJRAQEY-UHFFFAOYSA-N 400.562 7.228 0 40 HKAB O=C1S/C(=C\c2ccccc2Sc2ccccc2)C(=O)N1c1ccc(Cl)cc1 409190990 XTOIMEUTLFZDOC-ZHZULCJRSA-N 423.946 6.732 0 40 HKAB CCCc1sc(NC(=O)CC[C@H](O)c2ccccc2)nc1-c1ccc(Cl)cc1 409196185 NTSRGRVZRGOCLB-SFHVURJKSA-N 414.958 5.868 0 40 HKAB O=C(Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1)c1ccc(Cl)c(Cl)c1 830114 SIZBWJWFBCLJQB-UHFFFAOYSA-N 419.695 6.151 0 40 HKAB O=C(COc1cccc(F)c1)Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1 849972 WMTNEKJEQRRXRW-UHFFFAOYSA-N 423.337 5.793 0 40 HKAB Cc1cccc(C)c1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 1253813 VEKXEXKMXZIADQ-UHFFFAOYSA-N 404.897 5.413 0 40 HKAB O=C(O)c1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1 1773032 BEXYKWSWJSNGQI-UHFFFAOYSA-N 410.260 6.045 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(F)c4)c3)nc2c1 1850338 MGPVPRBFERDBIF-CQSZACIVSA-N 422.887 7.053 0 40 HKAB Cc1ccc(-c2nc(NC(=O)c3cccc4ccccc34)sc2-c2ccccc2)cc1 2029724 VEMXQMMCTLCBNO-UHFFFAOYSA-N 420.537 7.191 0 40 HKAB O=C1C(c2ccccc2)=C(c2ccccc2)O[C@H](c2ccccc2)N1c1ccccc1 2057557 ABBMBGPAHXZSOA-MUUNZHRXSA-N 403.481 6.317 0 40 HKAB O=c1oc(-c2ccccc2Cl)nc2sc3c(c12)CCCCCCCCCC3 2060390 MTVZRDWNYYZZKJ-UHFFFAOYSA-N 401.959 6.789 0 40 HKAB Cc1cccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)c1C 2117462 NYJIPNCZZOZTBG-UHFFFAOYSA-N 411.501 5.666 0 40 HKAB biogenic COP(=O)(OC)[C@H](OC(=O)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl 2144666 NIRZSWSTQNADLB-VIFPVBQESA-N 411.005 5.071 0 40 HKAB CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 2183042 ZBJQOIBWRKYODQ-UHFFFAOYSA-N 414.596 5.581 0 40 HKAB Cc1ccc(C(F)(F)F)cc1N[C@@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl 2274084 QYDHRDAKTQYWCX-ZDUSSCGKSA-N 415.626 5.145 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc(I)cc2CC)c1 2591054 UBCUUTVFRZYYCL-UHFFFAOYSA-N 423.294 5.285 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCCCN(C)C)ncnc32)cc1Cl 2714888 YPFGJBXRKHSYGO-UHFFFAOYSA-N 419.960 5.413 0 40 HKAB Cc1ccc(-c2csc3ncnc(Oc4ccc(C(=O)c5ccccc5)cc4)c23)cc1 3268506 GDRPCZSHZWNJRZ-UHFFFAOYSA-N 422.509 6.690 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Oc2ccccc2-c2ccccc2)cc1 4593168 BCIMCGGUVWTANB-JHFSOIRNSA-N 407.469 5.457 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2[C@H](C)C(=O)O)cc1 4782801 ZBAJNPCKUSKXJT-GYCJOSAFSA-N 410.473 5.162 0 40 HKAB CCOc1cc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc(OCC)c1OCC 4866240 XVABYBDHFJXSGI-UHFFFAOYSA-N 419.477 6.034 0 40 HKAB COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3F)cc2O)cc1 5139337 QECXKGVSJBSVDN-UHFFFAOYSA-N 406.413 5.301 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)c(C)c1 5516276 KUAFDYRCPVDPOT-INIZCTEOSA-N 419.546 6.128 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccc(Cl)s2)cs1 5525508 BDZFVWKKWYZEIB-UHFFFAOYSA-N 404.731 6.476 0 40 HKAB C[C@H](OC(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccccc1-c1ccccc1 5531196 YWGALABPKUIILJ-AWEZNQCLSA-N 414.288 5.844 0 40 HKAB CC(=O)Nc1ccc(Oc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)cc1 5860864 OPVJAHPPEDNYIP-UHFFFAOYSA-N 416.506 5.383 0 40 HKAB CCCCCC1CCC(c2ccc(-c3nnc(-c4ccccc4Cl)o3)cc2)CC1 6471880 QOBRWIYLMUWHLA-UHFFFAOYSA-N 408.973 7.911 0 40 HKAB CC(=O)c1cccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c1 6623926 YQILVRSVSYEFAU-UHFFFAOYSA-N 417.461 5.238 0 40 HKAB biogenic Cc1ccc(C(=O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)cc1 6668651 NSVMJUCUQVTVGG-UHFFFAOYSA-N 405.567 5.658 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)Cc2csc(-c3ccccc3)n2)cc1OCC 6847709 HNZHUKDTGYGOGM-MRXNPFEDSA-N 410.539 5.027 0 40 HKAB COc1cccc(NC(=O)[C@H](Sc2ccc(NC(C)=O)cc2)c2ccccc2)c1 6919526 WLGZZZDQVYZMQV-JOCHJYFZSA-N 406.507 5.126 0 40 HKAB COc1cc(OC)c(NC(=O)/C=C/c2cc(C)n(Cc3ccco3)c2C)cc1Cl 6935538 LBGQQIZSYHPUHO-BQYQJAHWSA-N 414.889 5.069 0 40 HKAB Cc1nnc(SCC(=O)c2cc(C)n(CCc3ccc(Cl)cc3)c2C)s1 7192705 SBGWPJAVMJTPOT-UHFFFAOYSA-N 405.976 5.136 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1cccc(C(F)(F)F)c1 8130973 STLURZJEDNHCDT-GFCCVEGCSA-N 410.486 5.627 0 40 HKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1cccnc1Cl 8367685 BUHNDWAAXHSRGD-UHFFFAOYSA-N 413.868 5.183 0 40 HKAB COc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)ccc1OCc1cccs1 8534520 LDTSRFNCCSBZIG-SFWXWQOYSA-N 411.611 6.174 0 40 HKAB COc1cccc(NC(=O)[C@@H](Sc2ccc3c(c2)OCCCO3)c2ccccc2)c1 9454262 XWDFXWXQWKJSJS-QHCPKHFHSA-N 421.518 5.329 0 40 HKAB CC(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3c(F)cc(F)cc3s2)cc1 9829783 AGPGTYLGXFCVBJ-UHFFFAOYSA-N 423.444 5.019 0 40 HKAB COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(Cl)cc4)c3n2)cc1 9934558 UWPUATVUEPYXLS-UHFFFAOYSA-N 417.818 6.077 0 40 HKAB CCCn1c(C)cc(-c2csc(NC(=O)c3ccc(Br)o3)n2)c1C 10892623 BWOOZMRGIBAQEZ-UHFFFAOYSA-N 408.321 5.246 0 40 HKAB COc1cc(NC(=O)CSCc2c(F)cccc2Cl)c(OC)cc1Cl 10948293 ZTFNBEBMMAFWJI-UHFFFAOYSA-N 404.290 5.022 0 40 HKAB COc1ccccc1C1(NC(=O)Cc2nc(C)sc2-c2ccccc2)CCCC1 12143076 ADEMXCOSHZGMKB-UHFFFAOYSA-N 406.551 5.255 0 40 HKAB FC(F)(F)c1nc(N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c2ccccc2n1 12568278 XATWHGKBCVSBBX-KRWDZBQOSA-N 415.415 5.151 0 40 HKAB CCN(CC)CCOc1ccccc1NC(=O)C(c1ccccc1)c1ccccc1 12847428 TYGUBPDRGPZRSK-UHFFFAOYSA-N 402.538 5.178 0 40 HKAB CCc1sc(-c2nnc(CN[C@@H](c3ccc(F)cc3)c3cccs3)o2)cc1C 12913479 OONLKCUDHVSKQJ-FQEVSTJZSA-N 413.543 5.749 0 40 HKAB CC(C)=CCC[C@@]1(C)C=Cc2c(ccc([C@H]3CC(=O)c4c(O)cc(O)cc4O3)c2O)O1 14690615 PCZZLTRWCMPYNK-BWKNWUBXSA-N 422.477 5.421 0 40 HKAB biogenic Cc1nc2ccc(NC(=O)c3sc(COc4ccc(F)cc4)nc3C)cc2s1 14851261 HKGPWVYHPBENTP-UHFFFAOYSA-N 413.499 5.340 0 40 HKAB O=C1Nc2ccccc2/C1=C\c1ccccc1OCc1ccc(Br)cc1 15011367 SVBHPIVUDPQLIP-CPNJWEJPSA-N 406.279 5.521 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccccc1 16027079 HNJRSZHUGWYAKJ-UHFFFAOYSA-N 420.925 5.319 0 40 HKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 16310830 QHWONMQORWALDD-IBGZPJMESA-N 418.562 5.087 0 40 HKAB FC(F)(F)c1cc(-c2cccs2)nc2c(-c3ccccc3)c(-c3ccccc3)nn12 16492117 IYOROROCTSLCRL-UHFFFAOYSA-N 421.447 6.811 0 40 HKAB COc1ccc2c(c1)CC[C@@H](C)N2C(=O)c1ccccc1SCc1ccccc1 16609409 IQNZDXAWTUQNEI-GOSISDBHSA-N 403.547 5.969 0 40 HKAB Fc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3Cl)n2)cc1 17082128 WYOACRGCFJWLQO-UHFFFAOYSA-N 401.243 6.791 0 40 HKAB O=C(NC(=S)Nc1c(O)ccc2ccccc12)c1cccc2c(Cl)cccc12 17087566 GSZVARAHNCABGS-UHFFFAOYSA-N 406.894 5.479 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)CSc4ccc(Cl)cc4)ccc3o2)c(C)c1 17093394 QIQQEQYVXAMSEG-UHFFFAOYSA-N 422.937 6.496 0 40 HKAB C[C@@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Cl)cc1 17315176 FMZKJMNIONCHSV-GOSISDBHSA-N 402.929 5.498 0 40 HKAB COc1ccc(-c2nc(C(=O)Oc3ccc(Cl)cc3Cl)cs2)cc1OC 18943825 KWABNGRGAGWORA-UHFFFAOYSA-N 410.278 5.353 0 40 HKAB O=C(c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12)C1NN1 19167145 IYJZCORUGCQXIG-UHFFFAOYSA-N 413.091 5.132 0 40 HKAB CC1CCN(C(=O)c2cc([C@H]3CCCN(Cc4cccc5ccccc45)C3)no2)CC1 19496757 RHVZPOJLKWDWQJ-QFIPXVFZSA-N 417.553 5.080 0 40 HKAB CC1=C(C)[C@H](NC2CCCCCCCCCCC2)N([C@@H](C)CCc2ccccc2)C1=O 20158447 IRXHHOJTUFUDPU-WXVAWEFUSA-N 424.673 6.775 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)c4cc5ccccc5o4)ccc3o2)cc1OC 20411980 KXANAFNEYPLDTO-UHFFFAOYSA-N 414.417 5.511 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(Br)cc1 27521716 CJUWILYQJADCPF-UHFFFAOYSA-N 414.686 5.586 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)NC[C@H](c3cccs3)N3CCCCCC3)oc2c1 27993391 UNCUOTMQCPZZKO-LJQANCHMSA-N 410.583 5.767 0 40 HKAB O=C(c1cccs1)N(Cc1ccc(OCc2ccccc2F)cc1)c1ccccn1 28293494 YSDNLRURVJORAM-UHFFFAOYSA-N 418.493 5.708 0 40 HKAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 30943738 WSPBQJJAYHNRJV-HKUYNNGSSA-N 419.396 5.343 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)COc4cccc5ccccc45)ccc3o2)cc1C 32116753 LMWCKQRVXPCOEO-UHFFFAOYSA-N 422.484 6.282 0 40 HKAB C[C@H](Sc1ncc(Cl)cc1Cl)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 32778803 MQUKQLNTQHMAHR-QMMMGPOBSA-N 424.334 5.800 0 40 HKAB O=C(Nc1ccc(F)c(F)c1F)c1nn(-c2ccccc2Cl)c2c1CCCC2 32922760 CDJXYIXEIIOPTK-UHFFFAOYSA-N 405.807 5.074 0 40 HKAB O=C(Nc1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1)c1ccccc1 35146716 HBKFLWKOVDFVPV-UHFFFAOYSA-N 404.554 6.047 0 40 HKAB CCOc1ccc(CCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OCC 44844031 QYQPLLSERCLDQG-UHFFFAOYSA-N 417.549 5.646 0 40 HKAB CC[C@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(C)cc1 44899769 RDQPIAJOPNAEJL-IBGZPJMESA-N 404.348 5.527 0 40 HKAB CCNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 71259821 WSHZTWRIYGUEPJ-UHFFFAOYSA-N 413.546 5.435 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1 72230035 SPYUVKHJIJOHOQ-XMMPIXPASA-N 409.913 5.563 0 40 HKAB CCCCOc1ccccc1-c1cc(C(=O)NCc2ccc(C(F)(F)F)cc2)[nH]n1 72331600 RCZBIAJMMWNZGT-UHFFFAOYSA-N 417.431 5.204 0 40 HKAB CCOc1cc(CNc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1 95472057 IMLSZFNMENKFJW-UHFFFAOYSA-N 411.885 5.628 0 40 HKAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](Sc1nc(-c3cccs3)cc(C(F)(F)F)n1)C2=O 100970349 COOAKWGUDOUYCP-VDYXNGCNSA-N 412.502 5.710 0 40 HKAB O=C1Nc2sc(F)c(-c3ccc4ccccc4c3)c2C(=O)[C@]1(F)c1ccccc1 118176732 FAMHLRLAHVBBQG-HSZRJFAPSA-N 405.425 5.707 0 40 HKAB O=C(CSCc1ccc(F)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 216458043 XGGMCUFPSFPAQV-UHFFFAOYSA-N 409.570 6.165 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H](CC)c1ccc(OC)c(OC)c1 219341067 LUZXSZNJCFGVCM-SFTDATJTSA-N 407.510 5.282 0 40 HKAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222759127 JDLQPVHQGUGNGO-ROUUACIJSA-N 404.322 5.251 0 40 HKAB CCc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1 224959754 QINJVYZGKDNGKG-UHFFFAOYSA-N 402.881 6.477 0 40 HKAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)c(I)c1 225011273 SLIRQPPRNTURLY-UHFFFAOYSA-N 406.050 5.159 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)ccc21 225152812 NSUAYQDYWCPSMK-HNNXBMFYSA-N 412.555 5.347 0 40 HKAB CN(C)CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 225523376 RDCAWFMRIOKVAJ-UHFFFAOYSA-N 400.950 5.121 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c2ccccc12 225760663 NIGXNALXEIAFTE-NRFANRHFSA-N 415.577 7.166 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2ccccc12 225778190 CCICTWLONVFUEX-UHFFFAOYSA-N 423.940 5.967 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)c(C)c1 225865015 ZXPCJQIWVMIQOI-UHFFFAOYSA-N 424.610 5.712 0 40 HKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4cccc(OC)c4)C3)c2)cc1 257307335 SYFRAAVCYRTICV-NRFANRHFSA-N 416.521 5.094 0 40 HKAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(Oc2ccccc2)cc1 408567452 DZGVIRQNIUCNII-UHFFFAOYSA-N 423.559 5.975 0 40 HKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@H](C)c2ccccc2)cc1 408680382 YNRXPZFYBUPLBC-GOSISDBHSA-N 412.489 5.065 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(Br)c1 408910219 GIUXNQBXTABYNB-MRVPVSSYSA-N 423.521 5.815 0 40 HKAB CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(c2ccccc2Cl)C1=O 409060810 YFBJIJIDHURQIE-MOSHPQCFSA-N 409.894 6.133 0 40 HKAB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)C1=O 409101498 XXQXCBXTCAOAPS-LICLKQGHSA-N 422.333 5.937 0 40 HKAB Cc1cccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCCC3)c1 722304 TYJAJABNZSXHIC-UHFFFAOYSA-N 404.535 5.369 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c1 722692 XAWPHZOMCZSLBK-UHFFFAOYSA-N 418.468 6.083 0 40 HKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCC[C@H]1C 901027 YTEYXDRXXYVWMG-KGLIPLIRSA-N 409.477 5.044 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(Br)cc1 989427 CWYWJKFQHLHXQT-UHFFFAOYSA-N 411.230 5.649 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(F)cc4F)sc3n2)c1 1026497 KCSMZRHWTWSFAC-UHFFFAOYSA-N 411.433 5.085 0 40 HKAB O=C(c1ccccc1F)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 1245058 HEGCPHTZVRULIH-GOSISDBHSA-N 413.246 5.173 0 40 HKAB CCOc1ccc(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 1295988 SGNCICGNAJJING-UHFFFAOYSA-N 420.896 5.195 0 40 HKAB COc1ccc(CNc2c(-c3cc4cc(C)ccc4[nH]c3=O)nc3c(C)cccn23)cc1 1330212 AWYSZNUWBNJCRP-UHFFFAOYSA-N 424.504 5.080 0 40 HKAB Cc1cccc(N(C(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 1376094 AZESQUPCQSSVJK-HSZRJFAPSA-N 418.562 5.503 0 40 HKAB O=C(CSc1nnc(-c2sccc2-n2cccc2)o1)c1ccc(Cl)cc1 1398824 FKOALCUTOSJVKR-UHFFFAOYSA-N 401.900 5.217 0 40 HKAB O=C(O)c1nc2ccc(C(F)(F)F)cc2nc1NCc1ccc(Cl)c(Cl)c1 1651375 LMUHFEAYMZYYDR-UHFFFAOYSA-N 416.186 5.266 0 40 HKAB Cc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(C)ccc4n3)o2)c(Br)c1 1789996 ZOZDNVMIFWHQOY-UHFFFAOYSA-N 422.278 6.239 0 40 HKAB Cc1ccc(C)c(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c1 1864831 LHWZJCMZEZYJCS-AREMUKBSSA-N 415.489 5.190 0 40 HKAB Clc1ccccc1Cn1c2ccccc2c2nnc(SCc3ccccc3)nc21 2074008 AUSRGSVANXEASX-UHFFFAOYSA-N 416.937 5.974 0 40 HKAB Cc1cc(Cl)ccc1NCc1nnc(SCc2ccccc2)n1-c1ccccc1 2082475 WGLCIXVPACGHCT-UHFFFAOYSA-N 420.969 6.134 0 40 HKAB Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)cc1C 2242056 XXUFXJDUJAKGQP-UHFFFAOYSA-N 405.954 6.497 0 40 HKAB Clc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1 2270012 QPCHEYVIIVJVIW-UHFFFAOYSA-N 400.696 7.001 0 40 HKAB Cc1ccc(S(=O)(=O)N2c3cc(C)ccc3[C@](C)(c3ccccc3)CC2(C)C)cc1 2294544 FBKSZNCOVVVBQI-SANMLTNESA-N 419.590 5.987 0 40 HKAB CCCCCCOC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 2386762 XCJDDRALFKCBFW-UHFFFAOYSA-N 406.461 5.032 0 40 HKAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCC(c1ccccc1)c1ccccc1 2652572 PEWWQJVUZZIJJQ-UHFFFAOYSA-N 405.541 6.235 0 40 HKAB CCCCN(CCCC)C[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 2689981 WQTGUMAIQDDDSG-LJQANCHMSA-N 421.412 6.364 0 40 HKAB COC(=O)CCSc1ncnc2scc(-c3ccc(-c4ccccc4)cc3)c12 3214386 MYTLMMMNBJHTJF-UHFFFAOYSA-N 406.532 5.681 0 40 HKAB CC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 3215223 UONBFKJADGQEJW-UHFFFAOYSA-N 413.882 5.551 0 40 HKAB CCOC(=O)c1sc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1C 3221803 CVHWFLWTWXTKPZ-UHFFFAOYSA-N 422.717 5.211 0 40 HKAB CCc1cc2c(S[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)ncnc2s1 3278767 QFXGQHJGZDEODD-MRVPVSSYSA-N 413.355 5.075 0 40 HKAB CCOc1ccc(-n2c(SCC)nnc2-c2ccc(Br)cc2)cc1 3314305 PKCMQCPMSIZNOD-UHFFFAOYSA-N 404.333 5.208 0 40 HKAB O=C(c1ccccc1)[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccccc1 3336706 XIFZJPZDOUCSLV-OAQYLSRUSA-N 416.458 5.182 0 40 HKAB O=C(Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12)c1ccccc1Cl 4162510 YRRKSBZLSMOWSS-UHFFFAOYSA-N 408.816 5.730 0 40 HKAB O=C1OC(c2ccccc2F)=N/C1=C/c1cccc(OCc2ccc(Cl)cc2)c1 4549523 NCAWXVUXGVHXBU-FYJGNVAPSA-N 407.828 5.403 0 40 HKAB CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 4663284 ATZURZTXUAWVPY-BSDZUQITSA-N 404.941 6.568 0 40 HKAB Brc1ccc2nc(-c3ccccc3)c(Nc3ccc4c(c3)OCO4)n2c1 4733931 NQIUEXGMAUSQSD-UHFFFAOYSA-N 408.255 5.236 0 40 HKAB CC1(C)[C@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1C1CCCCC1 4795181 CMKKVPGWDBSNHR-NRFANRHFSA-N 422.529 5.289 0 40 HKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cc(CC(C)C)on1 4881282 UGCJTGCASMYOGG-UHFFFAOYSA-N 421.328 5.294 0 40 HKAB Cc1cccc(-n2c(SC(C)C)nc3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)c1 4897915 WITQUQDACJEHSW-KRWDZBQOSA-N 414.596 5.353 0 40 HKAB CCC(CC)COC(=O)c1c(N)n([C@@H](C)c2ccccc2)c2nc3ccccc3nc12 5100937 LMDQRZTXGVGABK-INIZCTEOSA-N 416.525 5.369 0 40 HKAB Cc1ccc(-c2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@H]4c2ccccc2)cc1 5180563 ZQYRKRAQBHABIR-OAQYLSRUSA-N 406.445 5.091 0 40 HKAB CC(C)=CCC[C@@H](C)CCOC(=O)CCC(=O)Nc1ccc(Br)cc1 5722949 FHGHBFUCSUQHNZ-MRXNPFEDSA-N 410.352 5.484 0 40 HKAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccc(Cl)c(C)c4)c3)nc2c1 5747602 LXMRRYQUCSCQOH-UHFFFAOYSA-N 420.896 6.091 0 40 HKAB CCOc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccccc1Cl 5980264 PJHZOVLBXWLPNZ-UHFFFAOYSA-N 410.901 5.368 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc2c(Cl)cc(Cl)cn12 6099467 WHIKUKYXHTVTAO-SNVBAGLBSA-N 405.310 5.189 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 6201326 VZTKXKCRGJDJID-KPKJPENVSA-N 417.896 6.319 0 40 HKAB Fc1ccc(C2=Nc3ccc(F)cc3C(c3ccc(C(F)(F)F)cc3)=NN2)cc1 6251320 SZJRJOPRCFIESK-UHFFFAOYSA-N 401.338 5.418 0 40 HKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccccc1 6474586 HLJNLZIQPYAPFF-UHFFFAOYSA-N 409.898 5.215 0 40 HKAB O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1cc(Cl)ccc1Cl 6529819 CQLIJQMHNOROQA-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB COc1cc2c(cc1NC(=O)c1ccc(OC[C@H]3CCCO3)cc1)oc1ccccc12 6790163 BHOKHIQPIZGWKB-GOSISDBHSA-N 417.461 5.405 0 40 HKAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCCC(c1ccccc1)c1ccccc1 8131968 LTRVMQRIXHNEGH-UHFFFAOYSA-N 423.560 5.500 0 40 HKAB CCN(CC)c1ccc(-c2nnc(S[C@@H](C)c3nnc(-c4ccccc4)o3)o2)cc1 8189517 UTQMSXSWQMPOAQ-HNNXBMFYSA-N 421.526 5.486 0 40 HKAB C[C@@H]1CN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)C[C@@H](C)O1 8190127 IFTGVDPPTGAHSA-HZPDHXFCSA-N 402.523 5.034 0 40 HKAB CN(C(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1)C1CCCCC1 8470754 IVBNEZGNVIAVLC-UHFFFAOYSA-N 415.331 5.106 0 40 HKAB CSc1nc(NCc2ccccn2)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 8657512 CALOPOOYZSTNSN-UHFFFAOYSA-N 421.595 5.581 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 9095701 KTDZXUQQKSQXBQ-UHFFFAOYSA-N 421.132 6.776 0 40 HKAB COc1cc(NC(=O)CSCc2ccc(Cl)cc2Cl)c(OC)cc1Cl 10948164 ZKGXQXXHMDKNMN-UHFFFAOYSA-N 420.745 5.536 0 40 HKAB CCCn1c(SCC(=O)c2cn(CC)c3ccccc23)nnc1-c1ccccc1 11138906 ZWGOWDMDHSIVCS-UHFFFAOYSA-N 404.539 5.305 0 40 HKAB CCOc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2C)o1 12765078 OLTUAMKVXGEZRT-CYBMUJFWSA-N 417.918 5.216 0 40 HKAB COc1ccc(C)cc1NC(=O)c1ccc(-c2cccc(Br)c2)nc1C 12924499 BKXFCZPFOQTPKL-UHFFFAOYSA-N 411.299 5.389 0 40 HKAB CNc1cc(CSc2ccccc2)nc(SCc2c(Cl)cccc2Cl)n1 12950108 QQFDZUNGHGWREM-UHFFFAOYSA-N 422.406 6.410 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2cc(C(F)(F)F)ccc2NC2CCCCC2)c1 13041358 LUAAEWYSKWYLIN-UHFFFAOYSA-N 422.447 5.720 0 40 HKAB O=C(Nc1ccc(Br)c(Cl)c1)c1ccccc1CCc1ccccc1 13688367 WPDUWDNESUSQNS-UHFFFAOYSA-N 414.730 6.140 0 40 HKAB Cc1cccc(-c2nnc(-c3cccc(NC(=O)CSCc4ccccc4)c3)o2)c1 13943545 HSNPBXQYEQRLGI-UHFFFAOYSA-N 415.518 5.584 0 40 HKAB C/C(=C\c1ccccc1)[C@@H]1C(=O)N(c2ccc(C)c(C)c2)CC(=O)N1c1ccccc1 15412764 CJZXHVJIJJXSKJ-KGSORJMFSA-N 410.517 5.155 0 40 HKAB O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1cccc(Cl)c1Cl 15658263 HQIMDSCGCQQSSB-UHFFFAOYSA-N 410.304 5.573 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 17088113 YOQDXQFKZLUFIP-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cccc(C)c1OC 17090623 BGAYYYWWLAYUQT-UHFFFAOYSA-N 416.477 5.690 0 40 HKAB Cc1scc(C(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)c1C 19561853 KIPIIABBJLYYFL-UHFFFAOYSA-N 407.461 5.280 0 40 HKAB COc1ccc(C2(C(=O)Nc3ccc(-c4ccccc4OC)cc3)CCOCC2)cc1 19655069 DXNHGHDBXGYOIP-UHFFFAOYSA-N 417.505 5.058 0 40 HKAB O=C(CSCc1ccccc1Br)N1CCC(Cc2ccccc2)CC1 20238245 HUQVJAJYOAXJRW-UHFFFAOYSA-N 418.400 5.164 0 40 HKAB Cc1ccc(-c2noc(-c3cnn4c(C)c(Cc5ccccc5C)c(C)nc34)n2)cc1 21730834 CRPVZKQBQAEZIW-UHFFFAOYSA-N 409.493 5.271 0 40 HKAB COc1ccc([C@@H]2SCCN2C(=O)Nc2cc(C)ccc2C)cc1Br 28232330 HOTDDAVHNGIXHJ-SFHVURJKSA-N 421.360 5.354 0 40 HKAB O[C@H](COc1ccc(Cl)cc1)CN(Cc1ccc(Cl)cc1)Cc1ccco1 32593460 UXJDYGKBRJKBMF-IBGZPJMESA-N 406.309 5.029 0 40 HKAB O=C(OCc1ccc(Br)cc1)c1cc(-c2cccs2)nc2ccccc12 33707333 MAQVSKAHTCVUED-UHFFFAOYSA-N 424.319 6.083 0 40 HKAB Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c(Cl)c1 33739870 DJBVNQAYCHFVMG-UHFFFAOYSA-N 421.953 5.777 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1sc2ncn(C3CCCCC3)c(=O)c2c1C 35672174 BINPMKYGXUASOX-UHFFFAOYSA-N 415.946 5.486 0 40 HKAB CC(C)(C)n1nc(C2CC2)cc1C(=O)Nc1ccc(OCc2cccnc2)c(Cl)c1 40133711 RLIBYAWDZKKEIL-UHFFFAOYSA-N 424.932 5.395 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCC(C)C 44900769 YEDSKANTUWYNPP-IBGZPJMESA-N 404.963 5.235 0 40 HKAB O=c1c(C(F)(F)F)cccn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 48332159 QNUDFIODFUFMKE-UHFFFAOYSA-N 404.335 5.058 0 40 HKAB Cc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3n2)cc1 57351114 XKQJICLPAIYEHB-DTQAZKPQSA-N 420.472 5.641 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)ccc3o2)cc1 59477607 LPQUPPSTYNDINX-DTQAZKPQSA-N 420.468 6.715 0 40 HKAB O=C(CSC1=NC2(CCCC2)N=C1c1ccccc1)Nc1ccc2c(c1)CCC2 71769097 MYRJPWOLELNPHX-UHFFFAOYSA-N 403.551 5.019 0 40 HKAB O=c1c(Cl)c(N[C@@H]2CCc3ccccc32)cnn1-c1cccc(C(F)(F)F)c1 71810539 DIMFOGLPYSNLPP-MRXNPFEDSA-N 405.807 5.004 0 40 HKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72215130 DHNDPOMODFQLRV-GHTZIAJQSA-N 423.557 5.599 0 40 HKAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 84502174 LVXQEAPJRWUFND-JKSUJKDBSA-N 403.429 5.296 0 40 HKAB O=C(Nc1ccc(Sc2ccccc2Cl)cc1)c1cccc(N2CCNC2=O)c1 84507297 PWYHAAVBIQAHHQ-UHFFFAOYSA-N 423.925 5.273 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)N[C@H]1CCSc2c(F)cccc21 84667870 LXJRKJAKZOCKCU-WFASDCNBSA-N 401.532 5.375 0 40 HKAB O=C(CCc1ccc(C(F)(F)F)cc1)N(CCc1cccs1)Cc1ccco1 96120279 ARBNSMQJUOYONA-UHFFFAOYSA-N 407.457 5.564 0 40 HKAB C[C@@H](NC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 100845912 JJHGYKITNHLJFA-RPUIEEJBSA-N 420.435 5.441 0 40 HKAB Brc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)cc1 101072006 CHAUUGRGHLDLMQ-PZJWPPBQSA-N 404.311 5.945 0 40 HKAB CC(=O)OC1[C@H]2CC[C@H]1[C@@H]1[C@@H]2[C@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 102983747 SBDFAYSYHLEGJM-QQFPQSNCSA-N 424.966 5.036 0 40 HKAB CCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@](C)(OC(=O)CC)[C@@]4(C)CC[C@@H]32)C1 118930614 YUKFLTKJFMBYJM-PYYKUZOASA-N 416.602 5.983 0 40 HKAB Cc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 224049208 IHNFVRVKAOOOCE-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)NCCOc3cc(C)cc(C)c3)cc2)cc1 224056629 BTFNLXVOTTYWRS-UHFFFAOYSA-N 405.563 5.713 0 40 HKAB COc1ccc(C(=O)NCCc2ccccc2)cc1COc1cccc2ccccc12 224299339 XJSAOMQFHKQLBH-UHFFFAOYSA-N 411.501 5.400 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1CSc1ccc(Cl)cc1 224347800 AVVBRVPKQGURJF-UHFFFAOYSA-N 418.345 6.547 0 40 HKAB CCOCc1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1OC 224408385 ARYXKHKHDRTKPK-UHFFFAOYSA-N 411.885 5.930 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)ccc21 225152774 NSUAYQDYWCPSMK-OAHLLOKOSA-N 412.555 5.347 0 40 HKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(C)cc1C 225587892 AAWSWEDHEHGIOA-QHCPKHFHSA-N 416.968 5.575 0 40 HKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225734765 WBKAZQBLMDNYLQ-TYBLODHISA-N 418.622 5.213 0 40 HKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1cc(Cl)ccc1Cl 225828407 LAFRQQOKCKUGRK-UHFFFAOYSA-N 412.276 5.768 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](c1ccccc1)c1cccc(C)c1 225876437 JLGLUTRGYPSHIG-SXOMAYOGSA-N 413.561 5.937 0 40 HKAB CN(C[C@@H](O)COCCOc1ccc(C(C)(C)C)cc1C(C)(C)C)C1CCCCC1 226070415 PEEJTEDVLCAULH-JOCHJYFZSA-N 419.650 5.302 0 40 HKAB O=C(Nc1cccc2ccccc12)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408617630 CWESQIQAUXYGIO-UHFFFAOYSA-N 424.887 6.234 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)C(=O)c1c(-c2ccccc2)cc2ccccn12 408618307 GBFFRVRPZHNZQC-UHFFFAOYSA-N 409.272 5.735 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccc(F)cc2)c1 408695021 OETIFPINGIDPPC-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3)n2)cc1 408697170 FNMGNQNSMIKYRP-UHFFFAOYSA-N 416.912 5.711 0 40 HKAB CCCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 409107262 QHDRMUIWAQWDJD-UHFFFAOYSA-N 421.353 5.393 0 40 HKAB O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1CC1CCCCC1 409149015 VXEYEZRRVLSIOY-XDHOZWIPSA-N 401.915 6.217 0 40 HKAB CC(C)[C@@H]1C[C@H](c2ccccc2Cl)CO[C@H]1c1cccc(OCC(=O)N(C)C)c1 585293979 CHSYZGDAENHMGT-XZOYJPPVSA-N 415.961 5.324 0 40 HKAB COc1ccc([C@H](NC(=O)N[C@H]2CCCc3c2[nH]c2ccccc32)C(C)C)cc1OC 604405513 PABBKQDMZDNDRK-NZQKXSOJSA-N 421.541 5.259 0 40 HKAB biogenic O=C(C1CCCCC1)N1CCCCCCCCN(C(=O)C2CC2)c2ccccc2C1 2037884982 NKJFUMGFFRVKJR-UHFFFAOYSA-N 410.602 5.693 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(COCC(F)(F)C(F)F)c1 668428 ZYBAWUPDSAHDGZ-UHFFFAOYSA-N 410.194 5.663 0 40 HKAB CC[C@@H]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(N)=O)C1 673096 VYVHNUVQANUPRT-SNVBAGLBSA-N 418.971 5.482 0 40 HKAB COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccccc3Cl)ccc2c1=O 1321528 UBKYETBLJPZDKQ-UHFFFAOYSA-N 420.848 5.650 0 40 HKAB biogenic COc1cc2c(cc1OC)C(c1c(-c3c(Cl)cccc3Cl)noc1C)=NCC2 1572090 OPCNQKDDOWBSAV-UHFFFAOYSA-N 417.292 5.368 0 40 HKAB CCCCCCSc1nnc2c(n1)O[C@@H](C(=O)c1ccccc1)Nc1ccccc1-2 2073870 HBFDIRBWHJUCLM-QFIPXVFZSA-N 420.538 5.224 0 40 HKAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1ccc(C(=O)OC)o1)CCC3 2101063 NDRRSNMANSBEFB-UHFFFAOYSA-N 424.493 5.363 0 40 HKAB biogenic CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c1ccc(OC)cc1)c1ccccc12 2286884 VFUBICWAEUMSQJ-UHFFFAOYSA-N 417.461 5.044 0 40 HKAB CN(C)CCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 2295528 CKGZOBAEXBDXCB-UHFFFAOYSA-N 417.582 5.149 0 40 HKAB CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1c(Cl)cccc1Cl 2371547 ASSZGSOQTNEMOZ-BCHFMIIMSA-N 416.285 5.327 0 40 HKAB COc1ccccc1O[C@@H](C)C(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12 2705406 MPZRMDCRBWSXTR-INIZCTEOSA-N 415.445 5.078 0 40 HKAB COc1ccc(NC(=O)CCCSc2ncnc3sc4c(c23)CCCC4)cc1 2890957 ADMCEKSUAOPYOQ-UHFFFAOYSA-N 413.568 5.090 0 40 HKAB FC(F)(F)c1cccc(Sc2ncccc2-c2nc3cc(Cl)ccc3o2)c1 3051090 LXWGECQSZHKVTI-UHFFFAOYSA-N 406.816 6.713 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2nc(-c3ccccc3)cs2)cc1 3069992 VZTNZXMVZGAZDW-UHFFFAOYSA-N 424.447 6.748 0 40 HKAB CCC[C@H](CNC(=O)COC(=O)c1sccc1C)c1ccc(Cl)cc1Cl 3277463 LYHYGBWKWPTEEL-CYBMUJFWSA-N 414.354 5.220 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1C 4036403 RNYQVDPVYOIPDC-UHFFFAOYSA-N 409.536 5.084 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cc(=O)c5ccccc5o4)cc3)sc2c1 4079196 WTVYPSNYZQMMGT-UHFFFAOYSA-N 412.470 5.630 0 40 HKAB CC[C@H](C(=O)Nc1ccc(NC(=O)[C@@H](CC)c2ccccc2)cc1)c1ccccc1 4113261 SFENWLVHVDXZET-ZEQRLZLVSA-N 400.522 5.951 0 40 HKAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(Oc2ccccc2)cc1 4176816 VPWWBKIIVIUERW-UHFFFAOYSA-N 403.459 5.733 0 40 HKAB CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CC2CCCC2)cc1 4267729 YVEKOCMMALXNEK-UHFFFAOYSA-N 406.482 5.603 0 40 HKAB Clc1cccc(N2N=C(c3cccs3)C[C@@H]2c2ccc(Cl)cc2Cl)c1 4628325 PBCAUGKTMBUPPL-GOSISDBHSA-N 407.753 7.064 0 40 HKAB CC(=O)O[C@@H](C(=O)N1c2ccc(C)cc2[C@@H](c2ccccc2)C[C@@H]1C)c1ccccc1 4873069 ROAYLNQSSLPWTL-RQADYFSKSA-N 413.517 5.557 0 40 HKAB CN(Cc1cccs1)C(=O)CSc1nnc(-c2ccccc2)c2ccccc12 5242998 HDRAENVCZJDIRS-UHFFFAOYSA-N 405.548 5.109 0 40 HKAB CCOc1ccccc1O[C@H](C)C(=O)Nc1cc2oc3ccccc3c2cc1OC 5295225 LPEMBGYMXMNQNH-OAHLLOKOSA-N 405.450 5.399 0 40 HKAB Clc1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1Cl 5557229 PISCBUDCEISLQU-UHFFFAOYSA-N 401.322 5.474 0 40 HKAB Cc1csc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)n1 5936213 FZTPLYCDKSDDMV-UHFFFAOYSA-N 417.600 5.025 0 40 HKAB COc1cccc(NC(=O)[C@@H](Sc2ncnc3sccc23)c2ccccc2)c1 6115307 MXQUHLKYEFRODI-SFHVURJKSA-N 407.520 5.172 0 40 HKAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c1C 6542418 VEQQFTXMKFTYHO-UHFFFAOYSA-N 417.292 5.208 0 40 HKAB CCN1C/C(=C\c2cccc(Cl)c2Cl)c2nc3ccccc3c(C(=O)O)c2C1 6561194 SVTUABWBKFBUHK-GXDHUFHOSA-N 413.304 5.616 0 40 HKAB Cc1c(C(=O)N(Cc2cccc(Cl)c2)Cc2ccco2)oc2ccc(Cl)cc12 6810705 OURVZWCDPPGZJK-UHFFFAOYSA-N 414.288 6.484 0 40 HKAB Cc1cc(C(=O)CSc2nnc(NCc3ccc(F)cc3)s2)c(C)n1C1CC1 8191725 YQLHOYBKVOJVNC-UHFFFAOYSA-N 416.547 5.018 0 40 HKAB COc1ccc(CCNCc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 8474278 IVPBURNAOGNSQB-UHFFFAOYSA-N 415.508 5.899 0 40 HKAB Cc1ccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2ccc(C)c(Cl)c2)cc1 8476992 GTAWBZYATAIMDL-UHFFFAOYSA-N 416.912 5.135 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl 9160607 NUCIUUOYSBWNCQ-UHFFFAOYSA-N 402.869 5.916 0 40 HKAB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2C)cc1 9288558 TZKIMGYHGCZQQC-XMMPIXPASA-N 424.504 5.281 0 40 HKAB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(C)c1 9288566 DZWVWYPOHKIMEM-XMMPIXPASA-N 424.504 5.281 0 40 HKAB Cc1cc(NC(=O)c2ccccc2Br)ccc1NC(=O)c1cccs1 9355167 CMKUHAQTPKLSKU-UHFFFAOYSA-N 415.312 5.324 0 40 HKAB O=C1OCC[C@@H]1Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 9883629 SCVMWSUBLIGEMX-SFHVURJKSA-N 423.881 5.013 0 40 HKAB Fc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(Br)c2)cc1 12195120 AYKVYBMKMHNTPW-IFMALSPDSA-N 423.285 5.831 0 40 HKAB CC(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 12437260 RNFZNORCPIBXNF-XRKRLSELSA-N 418.540 7.206 0 40 HKAB O=C(CSc1nnc(-c2ccncc2)n1C1CC1)c1cc2cc(Cl)ccc2o1 12983861 VXNNRXXSGHFZBA-UHFFFAOYSA-N 410.886 5.050 0 40 HKAB Cc1csc2nc(CN[C@H](c3ccc(C4CCCCC4)cc3)C(C)C)cc(=O)n12 13011051 XBMFEHXBYJSSBZ-QHCPKHFHSA-N 409.599 5.599 0 40 HKAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCSCc1c(F)cccc1Cl 13709199 ZVJFILKBDGZHNE-OAHLLOKOSA-N 417.933 5.449 0 40 HKAB COc1cccc(NC(=S)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)c1 16155626 WFHAMMDDDXBEDL-OAQYLSRUSA-N 402.947 5.016 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4c5c(cccc35)CC4)o2)cc1Cl 17089720 NQRYGMYFWDBPLM-SDNWHVSQSA-N 413.904 6.812 0 40 HKAB O=C(c1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 19292796 VECONELGWIBAQX-GOSISDBHSA-N 401.297 5.146 0 40 HKAB CCC(C)(C)c1ccc(OCCNc2ccc(OCCC3CCCCC3)cc2)cc1 19738570 HBBOLMGENLEDON-UHFFFAOYSA-N 409.614 7.214 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20139190 GHDBYJSINAADBU-UHFFFAOYSA-N 407.853 5.506 0 40 HKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20452881 WFMBZEHLZWTHFW-JOCHJYFZSA-N 421.924 5.984 0 40 HKAB CCn1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(=O)c2cc(OC)ccc21 22235836 DOBVAVGRBBKNGK-UHFFFAOYSA-N 414.461 5.075 0 40 HKAB COc1cccc([C@H]2CN[C@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c32)c1OC 23982850 DZUAOPYJKPTDSH-AUSIDOKSSA-N 418.924 5.663 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCCCC2)cc1 27663613 VJOWENYIUQENIL-NRFANRHFSA-N 410.945 5.660 0 40 HKAB CCCc1noc([C@H](C)Sc2ncnc3scc(-c4ccc(F)cc4)c23)n1 27780120 PREFJDCOQDYXQB-NSHDSACASA-N 400.504 5.686 0 40 HKAB Cc1ccc2c(C)c(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCCCC3)oc2c1 28290151 VOZWALMLEIONQF-QFIPXVFZSA-N 424.972 6.050 0 40 HKAB O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1ccc2ncsc2c1 35681637 IYJSMVCYXKGSFS-QHCPKHFHSA-N 421.449 5.400 0 40 HKAB CC[C@@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(C)cc1 44935778 VRXNIKQEBQRREJ-JOCHJYFZSA-N 419.396 5.781 0 40 HKAB CSc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 46078736 BKGPBUDDZOJWMB-UHFFFAOYSA-N 416.546 5.562 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)c3cc(-c4cccc(Cl)c4)[nH]n3)ccc21 57412573 BFOXDIWWDFUTAI-UHFFFAOYSA-N 414.896 6.110 0 40 HKAB COc1cccc(Cn2c(SCc3cccc(Cl)c3)nc3ccccc3c2=O)c1 67258784 YNGUFAXWXQSTIF-UHFFFAOYSA-N 422.937 5.399 0 40 HKAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 72214585 RFZBXWIERCMQNQ-HSZRJFAPSA-N 423.601 6.206 0 40 HKAB Cc1ccc(C)n1-c1nc2ccc(C(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)cc2s1 101487144 VKQUIFGZSYDHHM-MHECFPHRSA-N 407.583 5.745 0 40 HKAB Cc1ccc(Cl)cc1-c1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)o1 211500388 QYVNXKZYCIXSEN-ODLFYWEKSA-N 411.866 6.267 0 40 HKAB Cc1ccc(OC[C@H](C)NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 219774184 VTAQCABHPWLONB-SFHVURJKSA-N 409.913 5.425 0 40 HKAB CC[C@H](NC(=O)[C@@H](C)Oc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 223108940 PAYIMTGQFNTHCP-VFNWGFHPSA-N 416.359 5.363 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1C(C)C 223376253 POCXIOZWQRKVGN-PMACEKPBSA-N 411.586 6.204 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1COC(C)C 224721216 PRBYQXHUMXLEDI-UHFFFAOYSA-N 421.562 6.414 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3)o2)c(OC)c1 224930899 CHPDZEFCIICUCL-UHFFFAOYSA-N 400.434 5.278 0 40 HKAB Cc1nccn1-c1ccc(CNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225457127 HIHNSWCCJMIZTO-UHFFFAOYSA-N 424.879 5.340 0 40 HKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(Br)cc1)c1ccccc1 225503166 NZRPIYCTHPXSAW-FQEVSTJZSA-N 411.368 5.834 0 40 HKAB C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(Br)cc1F 225660192 PNFNMQLXEKVDEA-CYBMUJFWSA-N 409.368 5.631 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2ccccc12 225776912 BBDDLTPPGQRCQG-GOSISDBHSA-N 421.512 5.843 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCc2cccc3ccccc23)c1 225809090 VBXLGOFNPGJTSU-UHFFFAOYSA-N 406.551 5.244 0 40 HKAB CC[C@@H]1O[C@@H]2c3cc(CC(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1cccc(Cl)c1 257305719 SREARQPRSQQONU-XDTJVVMOSA-N 414.929 5.778 0 40 HKAB COc1cccc(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)c1 257305970 SSHVXZAFFYRVPI-JOCHJYFZSA-N 424.928 5.224 0 40 HKAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1cccc(Br)c1 408562183 NXHPFGFDLFCUSO-QOCHGBHMSA-N 419.319 5.188 0 40 HKAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F 408700067 ANWPMVINDDDEKX-UHFFFAOYSA-N 407.841 5.292 0 40 HKAB CCOc1cc(C)c(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1C(C)C 409005934 HHXCWUXPRKQYRU-JCMHNJIXSA-N 409.551 5.796 0 40 HKAB O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1cccc(OCc2ccc(F)cc2)c1 409067955 RPOPNFULPSRWIZ-CIAFOILYSA-N 407.828 5.403 0 40 HKAB CCOc1cc(CNc2cccc(Cl)c2C)ccc1OCc1ccccc1Cl 409119334 TUFNKGWRRAPFSF-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB COCCCN1C(=O)S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O 409233591 GQFPLHDNKJJDJU-LFIBNONCSA-N 411.401 5.038 0 40 HKAB O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2ccccc2Cl)N1c1ccccc1 409330126 JAOHPIDBCJAMJI-AREMUKBSSA-N 424.931 6.706 0 40 HKAB CCOc1ccc(C[C@@]2(C)CCc3ccc(-c4ccc(C(=O)O)cc4)cc3O2)cc1 585265519 GNDYOVFFURXEMI-AREMUKBSSA-N 402.490 5.777 0 40 HKAB CC(C)(C)OC(=O)N1CCC[C@H]2[C@@H]1[C@H](c1ccc(F)cc1)CN2Cc1ccccc1 1848354180 UUIYNFFNRGQCKP-VABKMULXSA-N 410.533 5.193 0 40 HKAB CC(=O)Nc1ccc(NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1 864589 WDPLVUWCIYXTHT-UHFFFAOYSA-N 416.587 5.816 0 40 HKAB Cc1ccc(NC(=O)/C(=C/c2ccccc2Cl)NC(=O)c2ccccc2)c(C)c1 899258 LHJQUVRVAAKOOD-JCMHNJIXSA-N 404.897 5.366 0 40 HKAB Cc1nnc(SCC(=O)Nc2cccc3ccccc23)n1-c1cccc(Cl)c1 925052 OWAMNFFOZCLZCE-UHFFFAOYSA-N 408.914 5.113 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(OCC(=O)OCc2ccccc2)cc1 956082 HOLDANNLTKAQBE-UHFFFAOYSA-N 409.869 5.023 0 40 HKAB CC(=O)c1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 1164051 FWOCAZRCMAWTRL-UHFFFAOYSA-N 423.428 5.605 0 40 HKAB aggregator O=C(Nc1ccc(F)cc1)c1sccc1SCc1ccc(Cl)c(Cl)c1 1393155 FKTYQIVNSBJIJU-UHFFFAOYSA-N 412.338 6.739 0 40 HKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccccn4)ncnc32)cc1 1447735 XKALPUIFAIDVSF-UHFFFAOYSA-N 421.504 5.493 0 40 HKAB O=c1/c(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)sc2nc3ccccc3n12 1797320 CZOMAZOWXBFOQM-YVLHZVERSA-N 413.285 5.024 0 40 HKAB CCc1cc(I)ccc1NC(=O)/C=C/c1ccc(C(C)C)cc1 1864256 PGCVBEFPBATLAY-KPKJPENVSA-N 419.306 5.629 0 40 HKAB Cc1ccc(-n2c(SCc3cc(C)ccc3C)nnc2-c2cccc(Cl)c2)cc1 2206099 BPPZSYAKPSINLK-UHFFFAOYSA-N 419.981 6.805 0 40 HKAB COc1ccccc1-n1c(-c2ccc(C(C)(C)C)cc2)nc2nc3ccccc3nc21 2247622 CWVVNSWERDTOAJ-UHFFFAOYSA-N 408.505 5.942 0 40 HKAB COc1ccc(Cn2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1 2254165 KRHBCKGMUDRRJA-UHFFFAOYSA-N 400.869 5.357 0 40 HKAB CC1(C)Cc2c(c(-c3ccco3)nc3oc(C(=O)c4ccc(Cl)cc4)c(N)c23)CO1 2300604 PNNRMDDTNQTYIP-UHFFFAOYSA-N 422.868 5.406 0 40 HKAB C[C@H]1CCCc2sc3nc(SCC(=O)c4ccc(Cl)cc4)nc(N)c3c21 2305563 XHULXKNBKFHFAH-JTQLQIEISA-N 403.960 5.342 0 40 HKAB Clc1ccc(-n2ncc3c2ncn2nc(-c4ccc(Cl)cc4Cl)nc32)cc1 2406709 STKILZPDWUBNEA-UHFFFAOYSA-N 415.671 5.090 0 40 HKAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1 2437582 IMKWAQIWOYQXDL-NRFANRHFSA-N 424.500 5.289 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccccc4Cl)ncnc32)cc1 2974993 HZZPSFIESLILTK-UHFFFAOYSA-N 424.935 6.661 0 40 HKAB Cc1nn(-c2nc3ccccc3s2)c2nc(-c3cccnc3)cc(C(F)(F)F)c12 3197653 AKCZYEQMOQXKHK-UHFFFAOYSA-N 411.412 5.419 0 40 HKAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc(-c2ccc(F)cc2)cs1 3451290 GETCWRJYENQFCH-UHFFFAOYSA-N 418.515 5.046 0 40 HKAB Clc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccc3c(c2)OCO3)cc1 3668387 AFNTXNNVYVGGKX-BZZOAKBMSA-N 420.921 5.879 0 40 HKAB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2cccc3ccccc23)c2ccccc21 4549475 FTTCNNNEPRMEGB-MUUNZHRXSA-N 421.496 5.156 0 40 HKAB COc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c2ccccc12 4660133 RXFFGLRJRZDZOL-UHFFFAOYSA-N 402.497 6.991 0 40 HKAB Fc1ccc(CCNc2c3c(nc4cc(-c5cccc(Cl)c5)nn24)CCC3)cc1 4966865 BEXOZRWQHYZFBH-UHFFFAOYSA-N 406.892 5.332 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2N)cc1 5100570 PQXAKNGIMACTEC-UHFFFAOYSA-N 407.370 5.556 0 40 HKAB Cn1c(NC(=O)c2cccs2)c(-c2cccc3ccccc23)c(=O)c2ccccc21 5243523 DZQGGINNBVETLD-UHFFFAOYSA-N 410.498 5.673 0 40 HKAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 5446808 BCWVPRPATBMFBO-UHFFFAOYSA-N 416.502 5.928 0 40 HKAB CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 5478493 LFBAQWKVEOUEHG-UHFFFAOYSA-N 424.570 5.002 0 40 HKAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1ccc(C(C)=O)cc1 5520842 OFKRPLRJGTXMHD-UHFFFAOYSA-N 402.372 5.377 0 40 HKAB CCN(CC)P(=NC(=S)N1CCCCCC1)(c1ccccc1)N(CC)CC 5591596 ZPRDDAOURKFUHT-UHFFFAOYSA-N 408.596 5.188 0 40 HKAB CCOc1cc(C(=S)N2CCCCC2)cc(Cl)c1OCc1cccc(F)c1 6155412 XMQZIMGUGNEZJV-UHFFFAOYSA-N 407.938 5.618 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2ccccc2)cc1 6446839 KGWSYIJCEBCYOB-UHFFFAOYSA-N 423.903 6.803 0 40 HKAB Cc1c(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)oc2ccccc12 9990849 FWFVLCKBHRCMDA-UHFFFAOYSA-N 403.507 5.233 0 40 HKAB O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 10024188 ZIYGHFUVAHEGCV-IBGZPJMESA-N 407.441 5.224 0 40 HKAB C/C(=C\c1ccccc1)CN1CCC([C@H](NC(=O)C(C)(C)C)c2nccs2)CC1 12365691 HSJYMBUVKFYCJR-LAYTVVDLSA-N 411.615 5.162 0 40 HKAB Clc1ccc(/C=C/c2nc(-c3ccc(OCc4ccccc4)cc3)no2)c(Cl)c1 12376542 AYRJRACDFVYBCH-UKTHLTGXSA-N 423.299 6.793 0 40 HKAB CC(C)C(=O)N1N=C(c2ccc(Cl)cc2Cl)C[C@@H]1c1ccc2nccnc2c1 12408384 NGLNBYWZZXBORE-HXUWFJFHSA-N 413.308 5.270 0 40 HKAB CCOc1ccc(OCC)c(NCC(=O)Nc2c(CC)ccc(Cl)c2CC)c1 12731043 GULJNTLSCAYMSP-UHFFFAOYSA-N 404.938 5.313 0 40 HKAB COc1ccc(-c2n[nH]cc2[C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc1 12810343 YWBXEBROXUOISB-RUZDIDTESA-N 424.504 5.160 0 40 HKAB CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCc4ccccn4)c23)CO1 13228256 NMNUOOSCENFFLV-NRFANRHFSA-N 414.600 5.440 0 40 HKAB Cc1cc2nc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)oc2cc1C 17087529 VRPLCGPGGJAKSS-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB CCCCn1nc(C)c2c(C(=O)N(Cc3ccccc3)c3ccccc3)cc(C)nc21 17089315 ULMKRNQTLMBSRP-UHFFFAOYSA-N 412.537 5.695 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1cccnc1Cl 17091649 SUIAUDFCJWNAHC-UHFFFAOYSA-N 418.667 6.102 0 40 HKAB CCN(C(=O)CSc1nnc(-c2cc(C)cc(C)c2)o1)c1nc2ccccc2s1 17219042 PBYUWBSCTJKIRB-UHFFFAOYSA-N 424.551 5.108 0 40 HKAB Cc1ncsc1-c1nnc([C@H]2CCCN(Cc3ccc(Cl)c(Cl)c3)C2)o1 19562755 ZGAVAUMTAYCMGW-ZDUSSCGKSA-N 409.342 5.188 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1 20141365 LOCIUYZZJLXYMQ-UHFFFAOYSA-N 406.265 5.315 0 40 HKAB Cc1noc(C)c1C(=O)Nc1nc(-c2cc(C)n(CCc3ccccc3)c2C)cs1 21800241 UQNNRPDCSZWJHQ-UHFFFAOYSA-N 420.538 5.328 0 40 HKAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(C3SCCCS3)cc2)c1 22980083 OQCGDACZGIIRQT-UHFFFAOYSA-N 414.596 5.290 0 40 HKAB O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)c1ccco1 23077427 SEJYSDWESCKDQY-UHFFFAOYSA-N 420.334 5.617 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1cccc(/C=C/c2ccccn2)c1 29986766 DYNRGUWAUSALRV-CCEZHUSRSA-N 408.505 5.236 0 40 HKAB CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c1 33618777 SCFUJJXVRXVYKU-UHFFFAOYSA-N 421.522 5.039 0 40 HKAB COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@H]4CC[C@@]3(C)[C@H]2O)cc1 36611824 YMJKZILDEATXRU-RXJYMZPTSA-N 404.550 5.614 0 40 HKAB Fc1ccccc1-n1ncc2c(C(F)(F)F)cc(C34CC5CC(CC(C5)C3)C4)nc21 36616279 BQDCADSZFOXGJC-UHFFFAOYSA-N 415.434 6.046 0 40 HKAB CCOc1c(Br)cc(CNc2ccc(Cl)cc2)cc1Br 37202807 ALKLNGSXFYUMHJ-UHFFFAOYSA-N 419.544 5.876 0 40 HKAB O=C(NCCSc1ccc(Cl)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 39756104 DEHYRVXTQMETTL-UHFFFAOYSA-N 423.409 5.114 0 40 HKAB COc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 40485914 XZBONDBRFFZKDM-XMMPIXPASA-N 414.505 5.266 0 40 HKAB Cc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)cc1C 40486440 XLXCNQGJRBPZAV-UHFFFAOYSA-N 417.534 5.886 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)c(OC)c1 40487486 NWPKBOCTGCIDNO-XUZZJYLKSA-N 420.896 5.600 0 40 HKAB C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(F)cc1 44934157 BCRKPNAJIZGMFA-AWEZNQCLSA-N 409.332 5.222 0 40 HKAB CCc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1 46022259 GWCHXPJFSLLAKB-UHFFFAOYSA-N 411.596 5.544 0 40 HKAB O=C(NCC1(c2cccc(F)c2)CCOCC1)c1c[nH]cc1-c1ccc(Cl)s1 64027786 LVUWDCATSHYRGH-UHFFFAOYSA-N 418.921 5.014 0 40 HKAB O=C(Nc1ccc(NC2CCCCC2)cc1)C1CCN(c2ccc(Cl)cn2)CC1 69492962 RVMLUVJQTGUNGH-UHFFFAOYSA-N 412.965 5.335 0 40 HKAB Cc1ccc(-c2nnc([C@@H](C)Oc3ccc4c(C(F)(F)F)cc(=O)oc4c3)o2)cc1 78991540 RLFUFWHPQCOMFP-GFCCVEGCSA-N 416.355 5.310 0 40 HKAB Cc1cc(OC(F)F)c(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)s1 95397150 WGFLEEXDIXWUCB-UHFFFAOYSA-N 418.918 5.117 0 40 HKAB CCCCc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 107678616 HVWLJMYHGLVOEY-UHFFFAOYSA-N 406.551 6.033 0 40 HKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc(C(F)(F)F)c3)o2)cc1C 107685907 AESFANHEUWUPIR-UHFFFAOYSA-N 418.440 5.709 0 40 HKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 216235748 XWEGLSWHKKAPPF-IBGZPJMESA-N 408.542 5.232 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c(Br)c1 218872097 LOMFBTDMEGCWDZ-UHFFFAOYSA-N 416.237 5.609 0 40 HKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCCC2)c1C 222960904 TXKIQHZCDCFOLO-DHIUTWEWSA-N 410.631 5.778 0 40 HKAB S=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1ccc(Br)cn1 223985522 IAGXTJFLBORJCD-UHFFFAOYSA-N 424.795 5.296 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(OC)c(COc3cccc(Cl)c3)c2)cc1 224147468 UGOOBHWNHWRQKL-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB O=C(NCc1ccccc1CN1CCCCC1)c1ccccc1CCc1ccccc1 224831959 LSVPOJPOLLOVED-UHFFFAOYSA-N 412.577 5.388 0 40 HKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CCCC1 225013018 CHKQHPHJHDVNMA-XZOQPEGZSA-N 408.615 5.530 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253609246 JQMQKOQOLPGBBE-GCYSXGJNSA-N 402.663 6.648 0 40 HKAB Cc1ccc(-c2cc(-c3ccc(F)cc3)n(Cc3ccccc3)n2)c(OCC(=O)O)c1 257293848 QRLJNMNHVKGXBX-UHFFFAOYSA-N 416.452 5.176 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4ccc(C(=O)O)cc4)o3)N21 260784283 VPQWQLNJPNQOEF-CZAAIQMYSA-N 419.506 5.019 0 40 HKAB CCCc1s/c(=N\C(=O)c2ccccc2OC)n(CC)c1-c1ccc(C)c(C)c1 408564463 YLWLUMMXHLXRNO-IZHYLOQSSA-N 408.567 5.556 0 40 HKAB Fc1ccc(CNC(=S)c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 408576599 PZGNATBWAJKNNR-UHFFFAOYSA-N 420.336 6.177 0 40 HKAB COc1ccccc1CNC(=S)c1ccc(OCc2c(F)cccc2Cl)cc1 408578215 WWGYVHRWDQKGMP-UHFFFAOYSA-N 415.917 5.532 0 40 HKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC)c(Cl)c3)ccc21 408593735 NGEYLSFSUJDKFV-UHFFFAOYSA-N 414.914 5.277 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(Cl)cc2)cc1 408694671 LQKLIMXBVFUGKN-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2cccc(Cl)c2)c1C 408697850 LWIYDPIYDACODE-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccc(F)cc2)cc1 408700019 YLJIXXVNJGKGMO-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1ccc(F)c(F)c1F 408712987 FGQDLNQSIMBMBN-UHFFFAOYSA-N 418.440 5.197 0 40 HKAB CN1C(=O)S/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O 408816283 LCSJZVYWUIZTTN-LSCVHKIXSA-N 417.317 5.663 0 40 HKAB COc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccccc2)cc1 409090028 PVVIMWZAGSJOGG-UHFFFAOYSA-N 417.534 5.038 0 40 HKAB CCCc1sc2nc(SCc3cccc(C)c3)n(-c3ccccc3)c(=O)c2c1C 409112961 MSFWKTVXOFWYMR-UHFFFAOYSA-N 420.603 6.309 0 40 HKAB Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)c1C 409119766 QSEHKMMMSGOCSZ-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB Fc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 409206570 LFBCNFJQGWIUEO-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(Cl)cc1OC 409213451 VKKHLRJMMIBZFR-CAOOACKPSA-N 424.305 5.642 0 40 HKAB CCCCCN1C(=O)S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 409214219 WQWHABMCZAELGC-JXAWBTAJSA-N 403.588 6.214 0 40 HKAB CCc1ccc(C2=NN(c3ccc(C(=O)O)cc3)[C@H](c3ccc(Cl)cc3)C2)cc1 409418391 ZBACOLHSJRNSAT-QHCPKHFHSA-N 404.897 5.956 0 40 HKAB COc1ccc(-c2c(C(C)=O)c(C)nc3sc4c(SC)nc(C)nc4c23)cc1 642992 YPBXOQZJKJXZCM-UHFFFAOYSA-N 409.536 5.456 0 40 HKAB COc1ccc(OC)c(NC(=O)c2sc3c(Cl)c(OC)ccc3c2Cl)c1 660172 SPPYAKNOAJENHA-UHFFFAOYSA-N 412.294 5.486 0 40 HKAB Nc1c(C(=O)NCc2ccc(Cl)cc2)sc2nc(-c3ccc(F)cc3)ccc12 661666 ZNNKZYJZEWVNEC-UHFFFAOYSA-N 411.889 5.268 0 40 HKAB aggregator COc1ccc(C(=O)N(Cc2ccco2)c2nc(-c3ccc(Cl)cc3)cs2)cc1 932801 OVOWWLAODMZFJJ-UHFFFAOYSA-N 424.909 5.912 0 40 HKAB Cc1ccc(C(=O)N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccco2)cc1 1243701 KKVGFSRXDAFRLM-LJQANCHMSA-N 409.283 5.342 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)cc4)cc3)nc2c1 1413895 WDTZNYFDWCOHEX-MRXNPFEDSA-N 400.478 6.269 0 40 HKAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(Br)cc1 1776892 LFIMQZCDXXVVDB-UHFFFAOYSA-N 405.679 5.571 0 40 HKAB O=C1C(Nc2ccc(Cl)cc2)=C[C@@H](c2ccccc2F)N1c1ccc(Cl)cc1 2061311 LURFCXYXVRUNSC-NRFANRHFSA-N 413.279 6.216 0 40 HKAB CCCOC(=O)c1c(NC(=O)COc2ccccc2Cl)sc2c1CC[C@H](C)C2 2084384 FVQNPDDQLNMPMR-ZDUSSCGKSA-N 421.946 5.111 0 40 HKAB CCCCCOc1ccccc1[C@H]1Nc2ccccc2-c2nnc(SCC)nc2O1 2085973 AFPMOVRXMZYZFO-NRFANRHFSA-N 422.554 5.723 0 40 HKAB COc1ccc(NC(=O)[C@H](C)Oc2ccc3c(C)c(CCC(C)C)c(=O)oc3c2)cc1 2202262 VEEYUETZAPXLOI-KRWDZBQOSA-N 423.509 5.105 0 40 HKAB CCCc1ccc(C(=O)N2c3cc(N)ccc3[C@](C)(c3ccccc3)CC2(C)C)cc1 2294796 LWVUBBKFEPVFLW-NDEPHWFRSA-N 412.577 6.356 0 40 HKAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1Cl 2377105 VZWKUMKUWQWBNE-AVRWGWEMSA-N 402.258 5.079 0 40 HKAB Cc1ccccc1[C@H]1C=C(c2ccc(Br)cc2)Nc2nc3ccccc3n21 2917779 CAKZBIZTNJCKKG-JOCHJYFZSA-N 416.322 6.163 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 3212323 ILEHWTYYTVLOIN-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1c(F)cccc1F 3240421 SFUIFIHFPDNYDW-UHFFFAOYSA-N 413.474 5.367 0 40 HKAB CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3ccccc3)c2C1 3246874 GORJXFLTGDQJAJ-SFHVURJKSA-N 401.506 5.426 0 40 HKAB O=c1c(Cl)c(Oc2ccc(Br)cc2Cl)cnn1-c1ccccc1 3406396 YBKRHBAMKQVFSP-UHFFFAOYSA-N 412.070 5.094 0 40 HKAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(Cc4ccccc4)cc3)sc2c1 4075713 RQOFMZWDGVFAQE-UHFFFAOYSA-N 401.491 5.098 0 40 HKAB CCN(CC)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 4134715 RQNNQBKNOLFZCZ-UHFFFAOYSA-N 401.535 6.062 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)c1 4311878 COWOHOCUIZWIIE-KXLLNGJYSA-N 422.572 6.901 0 40 HKAB C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1 4655289 LQWSQQKTZLDGME-CPHHOOCTSA-N 404.550 5.793 0 40 HKAB in-vitro COc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3cccnc3)C[C@H]21 4715751 DWHXSYLAXCTONE-OFNKIYASSA-N 403.507 5.054 0 40 HKAB COc1ccc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1OC 4840747 GWRFTHCGTQSZHS-UHFFFAOYSA-N 406.265 5.129 0 40 HKAB CCCN(C(=O)c1ccc(OC)cc1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880790 ULITXCDDDPTMPR-UHFFFAOYSA-N 409.555 5.568 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)CCC[C@]4(C)[C@@H]3CC[C@@]21C 5029525 HYEIEAPRJMJEDC-KSTYDHONSA-N 400.691 8.067 0 40 HKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2-c2ccccc2)cc1 5394416 IZXZLCACTNLCQT-UHFFFAOYSA-N 418.497 5.113 0 40 HKAB CN(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)C1CCCCC1 6049209 YFJLCRPSGRIRLN-UHFFFAOYSA-N 406.551 5.892 0 40 HKAB COc1c(C(=O)NC2C3CC4CC(C3)CC2C4)cc2ccccc2c1Br 6229588 YJAVGPGQYHQHAT-UHFFFAOYSA-N 414.343 5.165 0 40 HKAB O=C(CCc1nc2ccccc2s1)Nc1ccc(-c2cn3ccsc3n2)cc1 6316005 CQBLXUVYBAUHMN-UHFFFAOYSA-N 404.520 5.244 0 40 HKAB CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 6393492 KZJWDPNRJALLNS-FBZNIEFRSA-N 414.718 8.025 0 40 HKAB endogenous,in-man Cc1cccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)c1C 6968418 LVMLZVHFDZYTPK-FYJGNVAPSA-N 419.912 5.462 0 40 HKAB CCCc1ccc(-c2csc(NC(=O)Cc3cccc(C(F)(F)F)c3)n2)cc1 7007781 IDGUIDXXJGFVTL-UHFFFAOYSA-N 404.457 5.963 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 7505047 YRXIMFNOZTXYNV-GOSISDBHSA-N 414.977 5.062 0 40 HKAB COc1ccc(CC(=O)N(Cc2ccco2)c2nc3cc(C)cc(C)c3s2)cc1 7614544 GULPCUZRDMMWTB-UHFFFAOYSA-N 406.507 5.291 0 40 HKAB CC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 7929474 UNSMDFUSMZZANI-ZDUSSCGKSA-N 406.309 5.249 0 40 HKAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 8327730 PKSPDAMNHVDESH-QHCPKHFHSA-N 410.473 5.246 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)CSc1nnc(Nc2ccccc2F)s1 8428856 BCUHODXTBIOWES-UHFFFAOYSA-N 416.547 5.583 0 40 HKAB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1cccc(Cl)c1Cl 9198075 VEFKTRPNSLUWMQ-UHFFFAOYSA-N 413.717 5.163 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cc(=O)c2ccccc2o1 9363943 MLWMRYQCDFUSDY-UHFFFAOYSA-N 417.273 5.476 0 40 HKAB O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1cccc(OCc2ccccc2Cl)c1 9435016 HVDCNDGAGAIQGH-CIAFOILYSA-N 424.283 5.917 0 40 HKAB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(C(C)C)cc3)Cc3ccco3)no2)cc1 11916464 HCGHYNSFDFBWDN-UHFFFAOYSA-N 414.505 6.209 0 40 HKAB C[C@H](NC(=O)COc1ccc(Oc2ccccn2)cc1)c1ccc(Cl)c(Cl)c1 12742024 WJDNVPCLMSXYKI-AWEZNQCLSA-N 417.292 5.437 0 40 HKAB CN(C(=O)CSc1nnc(-c2ccccc2)o1)C(c1ccccc1)c1ccccc1 12856444 RPKKDOKKUMCVDY-UHFFFAOYSA-N 415.518 5.077 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 12987287 QMWVMGRTWGPDGE-MRXNPFEDSA-N 424.884 5.216 0 40 HKAB Cc1ccc(Sc2ccc(NC(=O)CN[C@@H](C)c3cccc(Cl)c3)cc2)c(C)c1 13040178 IOVWWSUCVXEIIH-SFHVURJKSA-N 424.997 6.397 0 40 HKAB C[C@H]1CCc2sc(-c3nnc(S[C@H](C)c4nc5ccccc5c(=O)[nH]4)o3)cc2C1 13128124 XPKWSFVUOQMNMA-NWDGAFQWSA-N 424.551 5.013 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)nc1 13208401 YBXMRMBLDALTFR-UHFFFAOYSA-N 408.288 6.164 0 40 HKAB Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13787299 QRSRGYUDRFUWCG-AUSIDOKSSA-N 404.853 5.311 0 40 HKAB Cc1c(O)ccc2c(CN3CCc4sccc4[C@H]3c3cccs3)cc(=O)oc12 15548769 HQCIOLMMCVAIEY-NRFANRHFSA-N 409.532 5.078 0 40 HKAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3cccs3)N3CCCCCC3)no2)cc1 15859981 KQYWNDGUNUAKES-FQEVSTJZSA-N 409.555 5.059 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 17089773 LLFHXRQJAVFJBX-VOMSXAGXSA-N 414.332 7.419 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 17090176 MVQNQBHMIXLNKN-SFHVURJKSA-N 414.977 6.107 0 40 HKAB CC(C)Oc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 17093368 LZOHSYQPRTZLEJ-UHFFFAOYSA-N 422.937 6.656 0 40 HKAB Cc1cccc(Nc2nc(NCc3ccccc3)nc3c2cnn3-c2ccccc2)c1 17135445 OLZPULVRJWNBJV-UHFFFAOYSA-N 406.493 5.480 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1ccc(Cl)c(Cl)c1)N[C@H](c1ccccn1)C2 19550739 XZZFYZJSGSZKFY-UGKGYDQZSA-N 415.320 5.382 0 40 HKAB O=C(CCc1ccccc1)N1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 19719742 FBGOWRAANUOOCJ-UHFFFAOYSA-N 416.468 5.346 0 40 HKAB Cc1c(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cccc1C(=O)O 20150932 KMJMAOUEJWXLNF-PKNBQFBNSA-N 416.260 5.912 0 40 HKAB C[C@H](NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccccc1 20239938 ZFLRUGICGGYDHI-QFIPXVFZSA-N 412.577 5.632 0 40 HKAB Cc1ccc(SC(=O)N[C@H](Sc2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 26771236 ROFMEQPVPQGARA-OAHLLOKOSA-N 420.814 6.594 0 40 HKAB O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2ccc(F)cc2Cl)cc1 26926614 VAXCGBOBFJPNTO-UHFFFAOYSA-N 412.892 5.167 0 40 HKAB O=C(Cc1cccc2ccccc12)NCCc1csc(-c2ccc(Cl)cc2)n1 28288391 PIKVJEZBHXMFJC-UHFFFAOYSA-N 406.938 5.518 0 40 HKAB CCOc1cc(CNCc2ccccc2-c2ccc(CN(C)C)cc2)ccc1OC 30669461 LVENEMGDEHQVJR-UHFFFAOYSA-N 404.554 5.112 0 40 HKAB Cc1ccc(NC(=O)c2ccc(CSc3cccc4cccnc34)cc2)cc1Cl 32117944 MXXOUWZITPLMLZ-UHFFFAOYSA-N 418.949 6.741 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCCCC2)cc1 32623491 QCXLMNXGXCWJCZ-FQEVSTJZSA-N 409.555 5.059 0 40 HKAB C[C@H](Sc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3)c1nnc(-c2ccccc2)o1 32739540 IFQAYKAXKRHWGH-NEPJUHHUSA-N 423.567 5.302 0 40 HKAB CN(C)[C@@H](CNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccs1 32970898 LZVSWGHCBSKBLI-HNNXBMFYSA-N 408.445 5.060 0 40 HKAB O=C(NCc1ccc(C(F)(F)F)cc1)c1sc2ncccc2c1-n1cccc1 33171371 MMAIJNQYWDCEMZ-UHFFFAOYSA-N 401.413 5.036 0 40 HKAB CC(C)=CCC[C@H](C)CCNC[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12 33699215 GFNAIMIAENVOOC-DFZCOPKLSA-N 423.729 8.183 0 40 HKAB CC(C)(C)[C@@H](NCn1nc(-c2cccs2)c2ccccc2c1=O)c1ccc(F)cc1 40149155 WNWZWVCPKXQABX-QFIPXVFZSA-N 421.541 5.599 0 40 HKAB CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(OC(F)F)cc1)NC2 54979033 GJGRKIZTUVNDSX-QFIPXVFZSA-N 414.452 5.069 0 40 HKAB CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)c1sc2cccc(F)c2c1C 60102312 CCJMKVBIFHXEAF-UHFFFAOYSA-N 410.392 5.578 0 40 HKAB COc1cccc(Cn2c(SCc3ccccc3C)nc3ccccc3c2=O)c1 67258753 IMSIUZZEGKFWRD-UHFFFAOYSA-N 402.519 5.054 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2F)c(C)c1 67297197 LPTPLOYLRRHHFX-COOPMVRXSA-N 404.416 5.813 0 40 HKAB Cc1ccc([C@@H](c2ccccc2C)N2CCN(C(=O)NC3CCCCC3)CC2)cc1 72260006 OOWZNMIZBZRZST-VWLOTQADSA-N 405.586 5.053 0 40 HKAB COc1c(C)cccc1C(=O)N1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1 72374162 VPVVAPYULKHWJN-UHFFFAOYSA-N 418.512 5.148 0 40 HKAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2Cc2cccc(C)c2OC)n1 72390691 KQGOXIQFDIRMGT-QHCPKHFHSA-N 416.569 5.535 0 40 HKAB Cc1ccc(C(C)C)c(OCc2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c1 80346215 SFPOMHNUPLQZHP-UHFFFAOYSA-N 422.598 5.664 0 40 HKAB CCCC(CCC)N(CC1C[C@@H]2CC[C@H](C1)N2C)C(=O)c1ccc2c(c1)nc(C)n2C 84740404 OERSMIRFGJUCGK-VKGMXUHCSA-N 424.633 5.166 0 40 HKAB CCCN(CC)C(=O)c1ccc2onc(-c3csc(-c4ccc(OC)cc4)n3)c2c1 96154455 FRUPIYBLXCNFQG-UHFFFAOYSA-N 421.522 5.499 0 40 HKAB CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc(C)c1 97104918 YXRUMRAQUNNUTQ-HSZRJFAPSA-N 424.504 5.528 0 40 HKAB Cc1ccc(NCc2ccc(OCc3ccccc3)c(Br)c2)cc1Cl 106979640 SKKRANJJUITTOJ-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(Cl)c1N1CCCCC1 107555398 WOSZCDPWZDAJDD-UHFFFAOYSA-N 413.732 5.898 0 40 HKAB Nc1c(C(=O)Nc2ccc(C(F)(F)F)cn2)sc2nc(-c3ccccc3)ccc12 215708008 UFQXZTVDIZRLBQ-UHFFFAOYSA-N 414.412 5.212 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219339123 HROWKVOPFUOBGW-VXKWHMMOSA-N 403.522 5.724 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 222939878 MZSAWTGMWWTDIO-RTWAWAEBSA-N 413.558 5.426 0 40 HKAB COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(Cl)c2)c(Cl)c1Cl 224628231 YLQWUDDRRYAINV-UHFFFAOYSA-N 415.125 5.134 0 40 HKAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1ccccc1Cl 224876281 LPJKBDBOHLJMQS-UHFFFAOYSA-N 405.679 5.329 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@H](C)c3ccccc3)o2)cc1 224916346 SEPPUBPWWSKYCJ-GOSISDBHSA-N 412.489 5.898 0 40 HKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)s2)cc1Cl 224948024 MBRQWGIYGNUHCC-MOPGFXCFSA-N 415.971 5.291 0 40 HKAB CN(Cc1ccccc1)C(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224962960 BUZYVFDAADKAIL-UHFFFAOYSA-N 402.881 5.934 0 40 HKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1C 225024862 OSYYBSQFHFNKRF-RPWUZVMVSA-N 416.594 5.404 0 40 HKAB O=C(NCCSC1CCCC1)c1ccc(OCCSc2ccccc2)cc1 225106148 XUZMDGAWIFTZAS-UHFFFAOYSA-N 401.597 5.263 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)cc1Cl 225494997 GMQMFJCNIUMEOU-IBGZPJMESA-N 404.963 5.591 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)C1CCN(Cc2ccc(Cl)cc2F)CC1 225581173 PPXZZJUTHADCMX-UHFFFAOYSA-N 415.723 5.637 0 40 HKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1ccc(C(F)(F)F)cc1 225828631 PTMMOJHLSUTBHN-UHFFFAOYSA-N 411.383 5.480 0 40 HKAB CCCc1s/c(=N\C(=O)c2cccc3ccccc23)n(CC)c1-c1ccc(C)cc1 408561710 KKJIVXKJLCUTQA-RQZHXJHFSA-N 414.574 6.392 0 40 HKAB COc1cc(CNc2ccc(Br)cc2C)ccc1OCc1ccccc1 408612239 UZNRRQZBALDQJU-UHFFFAOYSA-N 412.327 5.957 0 40 HKAB O=S(=O)(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc2ccccc2c1 408626233 VDKVXKNYIZMNSR-UHFFFAOYSA-N 417.574 6.108 0 40 HKAB COc1ccc(OC)c(COc2ccc(-c3nc(O)c4c(C)c(C)sc4n3)cc2)c1 408733812 AGVBRILNPNRHBM-UHFFFAOYSA-N 422.506 5.277 0 40 HKAB COc1ccc(-c2sc(NC(=O)c3ccccc3Cl)nc2-c2ccccc2)cc1 408827606 LLTKJRQOIQEWKD-UHFFFAOYSA-N 420.921 6.391 0 40 HKAB O=C(CCC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)c(Cl)c1 408831180 OWCKZYQQAOAFQF-UHFFFAOYSA-N 401.087 5.358 0 40 HKAB COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(F)cc2)cc1 409094426 DBVFFKYIEVFMQB-UHFFFAOYSA-N 405.498 5.298 0 40 HKAB COc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 409095780 IWVFNIWCFXWQNL-UHFFFAOYSA-N 407.926 5.889 0 40 HKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2C)c1 409382575 UGEFDTNYBLHJOJ-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB S=C1NC(c2ccccc2)=C[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1 642385 WLHXHQMBLNKTNU-HSZRJFAPSA-N 408.530 5.099 0 40 HKAB CCc1ccc(C(=O)CSc2nnc(-c3ccccc3Br)o2)cc1 645123 CODPSGYRIZKMSR-UHFFFAOYSA-N 403.301 5.037 0 40 HKAB CCc1ccccc1Oc1coc2cc(OC(=O)c3ccccc3F)ccc2c1=O 952078 JXWFSVBNRRQCEM-UHFFFAOYSA-N 404.393 5.506 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(Cl)cc4)cc3)oc2c1 1413857 RLTDCXVRTZHMQF-UHFFFAOYSA-N 421.909 5.583 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1C 1413962 CAZPLKGNMHXNKS-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB Cc1cccc(COc2ccc3c(=O)c(Oc4cc(C)c(Cl)c(C)c4)coc3c2)c1 1775119 SZAVFCNEDKMPQA-UHFFFAOYSA-N 420.892 6.743 0 40 HKAB CCCCOc1ccc(Nc2c(C(=O)OCC)cnc3ccc(C(=O)OC)cc23)cc1 1775442 TUHGMMXWTMEWJE-UHFFFAOYSA-N 422.481 5.121 0 40 HKAB CC(C)Cc1nc2sc3c(NCc4ccccc4)ncnc3c2c2c1CCCC2 1813303 WBVGUHPDKDGKGN-UHFFFAOYSA-N 402.567 5.929 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(C)(C)OC3 2283056 DWVXHZKBGUPVOX-UHFFFAOYSA-N 414.596 5.054 0 40 HKAB CNC(=O)c1cc(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)ccc1OC 2356997 PHHRXFOXWOJVJM-UHFFFAOYSA-N 418.884 5.062 0 40 HKAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccccc1OC 2399404 DTKJEXGVKNSGFX-AYWVHJORSA-N 424.481 5.512 0 40 HKAB CC(C)Oc1ccc([C@H](CCN2C(=O)c3ccccc3C2=O)c2ccc(F)cc2)cc1 2445131 MKBOUVHFYGRONB-JOCHJYFZSA-N 417.480 5.431 0 40 HKAB Clc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)n2ncnc2N3)c1 2707256 RPZQBPAOSZMSFU-SFTDATJTSA-N 418.909 5.553 0 40 HKAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc(Cl)cc1Cl 3226277 DKYVCHHOFXCEEY-UHFFFAOYSA-N 404.278 5.500 0 40 HKAB CCCCOC(=O)c1ccc(Nc2nc(C)nc3sc(-c4ccccc4)cc23)cc1 3317328 YTEHILBINFEYPJ-UHFFFAOYSA-N 417.534 6.367 0 40 HKAB COc1ccc(CN(C)C(=O)c2oc3c(ccc4ccccc43)c2C)c(OC)c1OC 3330436 NYEMFFXDBCXWKM-UHFFFAOYSA-N 419.477 5.192 0 40 HKAB c1ccc(-c2nc3sc4c(NCc5ccco5)ncnc4c3c3c2CCCC3)cc1 3655884 SKRYMDBEQZPEMV-UHFFFAOYSA-N 412.518 5.990 0 40 HKAB Cc1[nH]c2ccccc2c1[C@@H]1[C@@H](CCNC(=S)Nc2cccc(Cl)c2)C1(C)C 3765653 KFGFLWQLCLUQBL-NQIIRXRSSA-N 412.002 6.246 0 40 HKAB CCCCC/C(=C\C=C\C(=O)N[C@H](C)CCCc1cccnc1)c1ccc(OC)cc1 3794739 HLCHRSFXEXAMLU-YDQNRGGDSA-N 420.597 6.138 0 40 HKAB CC(C)Oc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 4109852 FCFWIPPEMNXLSY-UHFFFAOYSA-N 406.448 5.735 0 40 HKAB CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CSC3)cc1 4176053 GVCUXXIZSKRLKI-UHFFFAOYSA-N 421.566 5.667 0 40 HKAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(CCC1=CCCCC1)C(=O)c1ccco1 4240720 KVADLNFLCAHENZ-DEOSSOPVSA-N 420.553 5.412 0 40 HKAB Cc1ccc(SCC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 4496445 ZNPMYKBAQHKGBY-UHFFFAOYSA-N 406.532 5.708 0 40 HKAB O=C(CCCCCC(=O)CC(=O)CCc1ccccc1)CC(=O)CCc1ccccc1 4877580 INXMFTOKOMKMOL-UHFFFAOYSA-N 420.549 5.259 0 40 HKAB CCCn1c(C)cc(C(=O)CSc2nnc([C@@H](C)Oc3ccccc3F)o2)c1C 4938092 MKNQXHLIIYAGBO-OAHLLOKOSA-N 417.506 5.152 0 40 HKAB Cc1cccc(-c2cc3nc(-c4ccccc4)cc(NCC(C)(C)CN(C)C)n3n2)c1 4980529 ZBCIIUKWVSQFLQ-UHFFFAOYSA-N 413.569 5.371 0 40 HKAB CCOc1ccc2nc(N(Cc3ccccn3)C(=O)/C=C/c3ccccc3)sc2c1 5265150 KZZWKWRWGFDEQC-SDNWHVSQSA-N 415.518 5.337 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc3ccccc3[nH]2)c2ccccc2)c1 5628219 DDYBYSREGQQVKC-NRFANRHFSA-N 401.491 5.238 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4cccc(Cl)c4C3=O)c(C)c2)cc1 5794113 ADPOVHZHJSKHAD-UHFFFAOYSA-N 404.853 5.010 0 40 HKAB Cc1ccc2c(CSc3nnc4c(Cl)cc(Cl)cn34)cc(=O)oc2c1C 5938172 ZKGTYFVNJUYWPH-UHFFFAOYSA-N 406.294 5.052 0 40 HKAB O=C(CCc1c[nH]c2ccccc12)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 6188322 CSXYMVWNAOKJSD-DEOSSOPVSA-N 408.505 5.077 0 40 HKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1C 6213962 GVVSGNQBTDDWII-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCc3ccccc3Cl)c2n1 6646306 AEXVORJAAUAPCT-UHFFFAOYSA-N 409.700 5.199 0 40 HKAB CCOc1cc(/C=C/C(=O)O)cc(Br)c1OCc1ccc(Cl)cc1 6656460 FPISDFUPVDKOHY-VMPITWQZSA-N 411.679 5.178 0 40 HKAB CCC(=O)Nc1ccc(Nc2nc3ccc(Cl)cc3nc2-n2nc(C)cc2C)cc1 6709515 BIEDUNPXNWANIP-UHFFFAOYSA-N 420.904 5.178 0 40 HKAB CCOc1ccc(C(=O)Oc2cc(-c3ccc(C)cc3)c3oc(=O)sc3c2)cc1 6809669 MWTMILZXUKTIHH-UHFFFAOYSA-N 406.459 5.448 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)/C=C/c3ccccc3)cc12 6962235 JYDLXWYNBMHTNN-DTQAZKPQSA-N 412.441 5.895 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4)C3)cc2)cc1 7882430 RZZXNMHOQMENRS-IBGZPJMESA-N 400.478 5.087 0 40 HKAB O=C(c1cc2c(F)cccc2s1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 7981829 JWSFQMXJOKVDSP-ZDUSSCGKSA-N 412.511 5.476 0 40 HKAB CCN(CC)C(=O)[C@@H](OC(=O)CSc1ccc2ccccc2c1)c1ccccc1 8072508 WHRJQROCHCDYDE-QHCPKHFHSA-N 407.535 5.085 0 40 HKAB CCOc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1F 8254181 HNPCIYVMJDDHMJ-QGZVFWFLSA-N 413.920 6.308 0 40 HKAB COC(=O)c1ccc(CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@H]2C)cc1 8887079 RBDPAUROVNOQKO-OXQOHEQNSA-N 422.554 5.170 0 40 HKAB Cc1nc(-c2cccs2)sc1-c1ccc(SCC(=O)Nc2ccccc2)nn1 9578043 AYZLKXBHQVHWPC-UHFFFAOYSA-N 424.576 5.368 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccc(F)cc1 11666816 AMLPMOKTYSXKFI-FIJNBCSASA-N 408.561 5.924 0 40 HKAB COc1cccc(CCC(=O)N[C@H](C)Cc2ccc3oc4ccccc4c3c2)c1OC 12401832 VVYCAAHPOPWYCZ-QGZVFWFLSA-N 417.505 5.283 0 40 HKAB C[C@H]1c2cccn2CCN1Cc1nc(O)c2sc(-c3ccc(Cl)cc3)cc2n1 12742168 FGZNSAVQGVESQP-ZDUSSCGKSA-N 410.930 5.096 0 40 HKAB COc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccccc2C(C)C)cc1 12789908 DBGFWDNCEAJNAO-UHFFFAOYSA-N 418.493 5.088 0 40 HKAB COc1ccc2cc(CN(C)C(=O)c3sc(-c4ccsc4)nc3C)ccc2c1 12981052 AFXVSLHIWWIIFV-UHFFFAOYSA-N 408.548 5.614 0 40 HKAB O=C(COc1cccc2ccccc12)Nc1nnc(SCc2ccccc2)s1 14582443 GHHWJJGWGTZGMI-UHFFFAOYSA-N 407.520 5.001 0 40 HKAB Cc1ccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3-c2ccccc2)cc1 17042501 NLNQPGXRYNUCDY-UHFFFAOYSA-N 420.520 5.522 0 40 HKAB CCSc1ccccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 20106571 GSLUHHHEOFBVAD-UHFFFAOYSA-N 413.995 6.997 0 40 HKAB COc1ccc(CCNCc2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1 20874216 HKCCLXPMIUJPAB-UHFFFAOYSA-N 411.545 6.068 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)oc2c1 27580374 PLDDEQQFMSULIQ-UHFFFAOYSA-N 412.514 6.887 0 40 HKAB Cc1cc(O[C@H](C)C(=O)N(Cc2ccccc2Cl)c2ccccn2)ccc1Cl 28291107 XEONKDTYBWESTM-MRXNPFEDSA-N 415.320 5.698 0 40 HKAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(CSc2ccccc2)cc1C 30852157 NAACKEGIGZJEEX-LJQANCHMSA-N 405.563 6.256 0 40 HKAB CCOc1cc(C(=O)N2CCC[C@H]2c2ccccc2)ccc1OCc1cccnc1 32462123 DUSYWRFXKDHJNT-QFIPXVFZSA-N 402.494 5.037 0 40 HKAB COc1ccc([C@@H](CNC(=O)c2ccc(-c3ccccc3Cl)o2)N2CCCC2)cc1 32732007 BWNYMWXRMJNYHR-OAQYLSRUSA-N 424.928 5.176 0 40 HKAB COc1ccc(OC)c(CCC(=O)N(C2CC2)[C@H](C)c2cccc3ccccc23)c1 32832542 CXEUOPVMKOXHMD-GOSISDBHSA-N 403.522 5.542 0 40 HKAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccc(Cn3ccnc3)cc2)n1 32913644 WWAOJWMYQAANMW-UHFFFAOYSA-N 413.506 5.097 0 40 HKAB CCOc1ccccc1/C=C1\SC(=O)N(CNc2ccccc2C(F)(F)F)C1=O 33349887 VAAAVLGTHKAQJR-BOPFTXTBSA-N 422.428 5.210 0 40 HKAB Cc1ccc(OCc2nc(C)c(C(=O)N3CCC(Cc4ccccc4)CC3)s2)cc1 36107978 UIBZVKCARUVPAY-UHFFFAOYSA-N 420.578 5.434 0 40 HKAB COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@@]3(C)[C@H]2O)cc1 36611826 YMJKZILDEATXRU-RCNCOQLGSA-N 404.550 5.614 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c(Cl)c1 38755248 GXDTUORRRQVAQM-UHFFFAOYSA-N 414.933 5.001 0 40 HKAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@@H]1Cc1c(F)cccc1Cl 48311152 XRLKANYASKFKJI-CQSZACIVSA-N 415.921 5.153 0 40 HKAB Cc1ccc(C)c(-c2csc(NC(=O)c3c(C)oc(C)c3Br)n2)c1 48366936 UGIBRZXLLLUFIJ-UHFFFAOYSA-N 405.317 5.652 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)N(C)CCCc1ccccc1 48371206 JXRFZEXKQXXEBF-UHFFFAOYSA-N 401.510 5.344 0 40 HKAB Clc1cccc(-c2noc([C@H]3CC34CCN(c3ncnc5ccccc35)CC4)n2)c1 69668598 SAVXJHNHVFDJEB-GOSISDBHSA-N 417.900 5.107 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)N(CCc1cccs1)Cc1cccnc1 77183904 ADAFIEDNXUKEMZ-UHFFFAOYSA-N 405.445 5.439 0 40 HKAB COc1ccccc1/C=C1/CCC[C@@H]2C1=NN(C(=O)C1CC1)[C@H]2c1ccccc1OC 83976119 LDBGZTMDCAXTSF-SEQQDKCQSA-N 416.521 5.237 0 40 HKAB CC1=C(C(=S)Nc2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1C 100857991 XAIIJUORSVCOAU-KRWDZBQOSA-N 405.445 5.115 0 40 HKAB Cc1ccc(C23C[C@H]4C[C@H](C2)CC(c2csc(NC(=O)C(C)(C)C)n2)(C4)C3)cc1 102092226 CBJKCPXFFBIOPS-LYBIEXDWSA-N 408.611 6.226 0 40 HKAB Cc1ccc([C@H]2N=C(Nc3nc4ccccc4o3)N=C3CC(C)(C)CC(O)=C32)cc1 102600399 VXMXNJPOYMDRLC-OAQYLSRUSA-N 400.482 5.732 0 40 HKAB Cc1ccc([C@@H]2CC3=Nc4nc(C)nn4[C@H](c4cc(F)cc(F)c4)C3=C(O)C2)cc1 102668148 KFPOPNLSZLBUJV-IVZQSRNASA-N 406.436 5.238 0 40 HKAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1Cl 102983036 UZEWGRHVXGUQIP-XZOTUCIWSA-N 413.904 5.583 0 40 HKAB CC(C)C[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccccc1 219845753 AWXKPCDRNGPHIK-XMMPIXPASA-N 407.941 6.436 0 40 HKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(C)cc2)o1 222959482 JTFMEXYRFUKEJM-YADHBBJMSA-N 423.607 5.907 0 40 HKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCSc1ccccc1 224115004 CQDWRHBHJOEWRU-HSZRJFAPSA-N 424.610 5.035 0 40 HKAB CCCC[C@@H](CC)CNC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 224398470 IXONFURATMYHTF-MRXNPFEDSA-N 422.978 5.087 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccccc1Cl 224476693 BDKDDOKPTHVSEL-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3nnc(-c4ccccc4)s3)cc2)cc1 224637514 TYMCOEKZSZNGPP-UHFFFAOYSA-N 417.559 6.058 0 40 HKAB C[C@H](NC(=O)c1cccc(I)c1)c1ccc(C(C)(C)C)cc1 224964075 CQCUIGJFEUYXCH-ZDUSSCGKSA-N 407.295 5.080 0 40 HKAB S=C(NCCSCc1cccc(Cl)c1)Nc1ccc(Br)cc1 225298525 VWNACXULAQYEDR-UHFFFAOYSA-N 415.809 5.322 0 40 HKAB CC(C)Oc1cccc(NC(=S)NCCCSCc2ccccc2Cl)c1 225607825 DMICWKVQOBWSJQ-UHFFFAOYSA-N 409.020 5.737 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C(=O)OC 225683025 KZJFCKJIHVULQC-UHFFFAOYSA-N 413.489 5.242 0 40 HKAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225699790 DAZZGIQXOSAANL-DEOSSOPVSA-N 404.595 5.111 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2ccccc12 225776826 ZPGBPOFQCPUWFH-UHFFFAOYSA-N 407.485 5.455 0 40 HKAB CCOC(=O)c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1 226339818 FSOBSAZWZMDSFN-UHFFFAOYSA-N 422.077 5.651 0 40 HKAB COc1cccc(C(=O)N2CCC[C@@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)c1 257212009 CBNIDCZBCXRGEQ-HXUWFJFHSA-N 404.485 5.225 0 40 HKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)NC(=S)N1 408606120 OHKXTUNTZLSFQH-HXUWFJFHSA-N 423.925 5.032 0 40 HKAB COc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(C)c(Cl)c2)n1 408699289 SRSTYAPUKOGCFZ-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB CCCCOc1ccc(/C=C2\S[C](Nc3ccccc3F)NC2=O)c2ccccc12 408803048 KRIVYDWUDUJQCY-UHFFFAOYSA-N 421.517 5.921 0 40 HKAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S1 408813725 NWAZVANGTSEVII-UHFFFAOYSA-N 409.462 5.166 0 40 HKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C1=O 409059574 SEYIYITYCQGWCH-UNOMPAQXSA-N 419.905 5.895 0 40 HKAB O=C(Oc1ccc(Cl)cc1)c1ccc(COc2ccc(Br)cc2)cc1 409181433 CKTUHHDIIZMIAG-UHFFFAOYSA-N 417.686 5.901 0 40 HKAB O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCCC2)cs1)C1CCCC1 1353796 YZCMLHHZSMFAJS-UHFFFAOYSA-N 423.582 5.408 0 40 HKAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)N4CCCC[C@@H]4C)c23)C1 1377304 IXWLNZLYENNOTA-KBPBESRZSA-N 415.628 5.187 0 40 HKAB Cc1nc(-c2ccccc2)sc1C(=O)COc1ccc(Cl)cc1Br 1390138 DPXSZVFRJHBIAE-UHFFFAOYSA-N 422.731 5.796 0 40 HKAB Cc1nc(C(=O)Nc2ccc(Cl)cc2Cl)nn1-c1cccc(C(F)(F)F)c1 1401491 CJUOZBFMMMHHHT-UHFFFAOYSA-N 415.202 5.154 0 40 HKAB O=C(CSc1nc2ccccc2o1)Nc1ncc(Cc2ccccc2Cl)s1 1454036 UYBHBJCJIHMMHE-UHFFFAOYSA-N 415.927 5.259 0 40 HKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1 2184366 JAJHCGBHHUKLAR-HAHDFKILSA-N 415.514 5.811 0 40 HKAB CCOc1ccc(C(C)=O)cc1CSc1nnc(Nc2ccccc2F)s1 2619046 ALDWKVGIKOXPFC-UHFFFAOYSA-N 403.504 5.314 0 40 HKAB CC(C)(C)c1ccccc1NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12 2621809 KHTLCMDKVYYJKQ-UHFFFAOYSA-N 404.297 5.252 0 40 HKAB Cc1sc2ncnc(Sc3ccccc3C(=O)NCCc3ccccc3)c2c1C 2626221 BKHZNEYBNRFILF-UHFFFAOYSA-N 419.575 5.432 0 40 HKAB CCc1cccc(C)c1NC(=O)c1oc2ccccc2c1CSCc1ccccc1 2648539 CCJAHYABUNEKTG-UHFFFAOYSA-N 415.558 6.989 0 40 HKAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)c3ccccc3n2)cc1 2741490 SXHLDJIJIZICKR-UHFFFAOYSA-N 420.871 6.345 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)cc1 2769587 JQKYIBYLIOYTPW-IBGZPJMESA-N 410.517 6.100 0 40 HKAB FC(F)(F)c1cnc2c(-c3ccc(Cl)cc3Cl)nn(-c3ccccc3)c2c1 3134916 SBGQCTVUYQRAJC-UHFFFAOYSA-N 408.210 6.413 0 40 HKAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc(Cl)cc1Cl 3238741 WPJZCKFHEOQNEN-UHFFFAOYSA-N 417.672 6.040 0 40 HKAB Cc1cc(NC(=O)CSc2cn(Cc3ccc(Cl)cc3)c3ccccc23)no1 3581869 LDTABIQENANLOH-UHFFFAOYSA-N 411.914 5.370 0 40 HKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4)nc3c2)c1 4122969 WTEWOKRGDIBGLI-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB C[C@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)Nc1ccc(F)cc1Cl 4220927 YUBORRRCWQRVDW-ZDUSSCGKSA-N 413.832 5.036 0 40 HKAB CC(=O)Nc1ccc2nc(NC(=O)CCSc3ccc(Cl)cc3)sc2c1 4496587 XVIAIOVGRUKMHL-UHFFFAOYSA-N 405.932 5.029 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2c(F)cccc2Cl)N3)C1 4554603 PUQUNKIYDIGFPG-ZMZPIMSZSA-N 406.954 6.511 0 40 HKAB c1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCCCCCCCCCC2)cc1 4765618 FGNQUIREIUMBEP-VWLOTQADSA-N 402.582 7.231 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)c3ccccc3F)C3CCCCC3)cc2c1 4861285 VBVHBJUZQJDPSS-UHFFFAOYSA-N 424.947 6.619 0 40 HKAB CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2C1 4881309 FAXOMHJTYOINFD-SNVBAGLBSA-N 400.828 5.750 0 40 HKAB Cc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2ccc(C)cc2C)cc1 4937788 HDZFSMNZBDOTEJ-IZHYLOQSSA-N 403.503 5.423 0 40 HKAB CC(C)[C@H]1Cc2c(sc3nc(SCc4ccc5ccccc5c4)nc(N)c23)CO1 5024561 SPDDCYWDOCVBHN-GOSISDBHSA-N 421.591 5.816 0 40 HKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3Cl)CC2=O)c1 5026562 ZQYWBMUUXKKIAS-IBGZPJMESA-N 415.924 5.567 0 40 HKAB O=c1[nH]c(-c2ccc(OCc3ccc(F)cc3)cc2)nc2sc3c(c12)CCCC3 5093433 OVFLRJJJAPHLGI-UHFFFAOYSA-N 406.482 5.249 0 40 HKAB C[C@]12CN(Cc3ccccc3)C[C@](C)(CN(Cc3ccc(Br)cc3)C1)C2 5531150 FKBSJNGFRWUAAW-ZRZAMGCNSA-N 413.403 5.183 0 40 HKAB Nc1ccc(S(=O)(=O)c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)cc1 6244653 QNGKBSUKGVNHOT-UHFFFAOYSA-N 409.898 5.047 0 40 HKAB CSc1ccc(CN(C)C[C@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 6530332 NXDKGKAEGNEFPJ-AHWVRZQESA-N 421.606 5.316 0 40 HKAB Cc1cc(-c2ccccc2)nc(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)n1 7625482 WQRSWACUOZMZGR-INIZCTEOSA-N 403.507 5.168 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(CN(Cc2ccccc2F)C2CC2)o1 7872346 RJDRUQIHTHJXAX-UHFFFAOYSA-N 404.445 5.004 0 40 HKAB CCOc1ccccc1OCCCC(=O)N1CCC(c2nc3ccccc3s2)CC1 7980423 ADEREYFTALKIPL-UHFFFAOYSA-N 424.566 5.260 0 40 HKAB CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccc(Cl)cc21 8298810 CGHQAUIDGCNQMP-BXKMTCNYSA-N 418.924 5.873 0 40 HKAB C[C@@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)c1ccc(-n2ccnc2)cc1 9477315 QVYGMYXLXRXMPI-QGZVFWFLSA-N 403.457 5.081 0 40 HKAB O=C(Nc1ccccc1C(=O)N[C@H](Cc1ccccc1)c1ccccc1)c1ccco1 9614001 FHVFWOTWNHGYFM-HSZRJFAPSA-N 410.473 5.246 0 40 HKAB C[C@@H](SCCCOc1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl 9883793 JMEICHYCVUGTPA-GFCCVEGCSA-N 418.773 6.176 0 40 HKAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1cc(F)ccc1Br 10985843 WNEYUDLIBAEHTB-UHFFFAOYSA-N 420.307 5.050 0 40 HKAB COc1ccc(-c2cc(=O)oc3c(C)c4occ(-c5cc6ccccc6o5)c4cc23)cc1 11691934 BLEIRSOBFMDDNB-UHFFFAOYSA-N 422.436 6.936 0 40 HKAB CCc1ccc(-n2c(N)c(-c3nc4ccccc4n3C)c3nc4ccccc4nc32)cc1 11691952 MWZYGNIQTIKJMF-UHFFFAOYSA-N 418.504 5.272 0 40 HKAB Cc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(F)c(F)c2)c1 13040622 MQNMRGCBXLXWCX-UHFFFAOYSA-N 409.841 5.520 0 40 HKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccc(F)c1 13362249 RCCFNFNKBHMDRS-UHFFFAOYSA-N 404.441 6.018 0 40 HKAB O=C(Nc1ccc(Sc2ccc(NC(=O)c3ccco3)cc2)cc1)c1ccco1 16430201 LRZXPQUNTRNABB-UHFFFAOYSA-N 404.447 5.528 0 40 HKAB Cc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2O)N2C[C@@H](C)C[C@@H](C)C2)cc1 16689798 RWUUYEFLSSWUDM-FCEWJHQRSA-N 422.554 5.132 0 40 HKAB COc1cccc2cc(-c3csc(NC(=O)COc4ccc(Cl)cc4)n3)oc12 16960795 SHAJWPBGPUSHQH-UHFFFAOYSA-N 414.870 5.236 0 40 HKAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1cccc(Cl)c1Cl 17088390 KIGJAYARNSODAH-UHFFFAOYSA-N 410.109 5.133 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 17091785 NPKHTYFSNSKKDY-KDHUCADRSA-N 419.352 6.033 0 40 HKAB COc1ccccc1-c1nn(Cc2ccccc2F)c(-c2ccccc2OC)c1Cl 17093312 LQJHBIPQKAGMKX-UHFFFAOYSA-N 422.887 6.075 0 40 HKAB Cc1csc([C@@H](Cc2ccsc2)NCc2cc3ccccc3nc2N(C)C)n1 19240222 FJLIGOWFJKBGIO-HXUWFJFHSA-N 408.596 5.201 0 40 HKAB Nc1c(-c2nc3ccccc3[nH]2)cnc2c1c(-c1ccccc1)nn2-c1ccccc1 19594600 FFKBQALDJKHREK-UHFFFAOYSA-N 402.461 5.213 0 40 HKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(CSc2ccccc2)cc1 20106989 HANDVOLTPPXOHB-LJQANCHMSA-N 405.563 6.508 0 40 HKAB COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1-c1ccc(CO)o1 20139901 QURZMCSNQPSETE-UHFFFAOYSA-N 423.852 5.613 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCC(c2nc3ccccc3o2)CC1 21915485 OTEOZLWIIJSTIY-ZDUSSCGKSA-N 419.308 5.308 0 40 HKAB Cc1ccc([C@H](NC(=O)COc2ccc(Br)c(C)c2)c2ccccc2)cc1 22508501 OLHHVSNMTRFYQL-HSZRJFAPSA-N 424.338 5.351 0 40 HKAB CCOC(=O)c1cc(NC(=O)CSCc2c(F)cccc2Cl)ccc1Cl 22528758 ORMVCHBWTNMWJI-UHFFFAOYSA-N 416.301 5.181 0 40 HKAB Cc1cc(C)cc(NC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)c1 23126782 OGDGNQZIOVMJHT-UHFFFAOYSA-N 423.925 5.034 0 40 HKAB CC(C)C(=O)Nc1cccc(CNCc2cc(Cl)ccc2OCc2cccnc2)c1 27217558 UJXNYRMZZJXTSF-UHFFFAOYSA-N 423.944 5.198 0 40 HKAB Cc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)cc1C 27582685 CMXQUQURVFMSER-QHCPKHFHSA-N 414.977 5.069 0 40 HKAB CC(=O)N(c1ccccc1)c1nc(Cn2c(C(F)(F)F)nc3ccccc32)cs1 29300523 BSFZODKVWJYZEE-UHFFFAOYSA-N 416.428 5.245 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1 30849826 OQRUCODFEYDRKH-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@H](c1cccc(Cl)c1)CC(O)=N2 32102512 GYGVHARTPUHBOA-AWEZNQCLSA-N 414.889 6.225 0 40 HKAB CCOc1ccc(-c2csc(Cc3nc(-c4ccc(OC(C)C)cc4)no3)n2)cc1 33298247 VBOYBZVJIHMMRS-UHFFFAOYSA-N 421.522 5.637 0 40 HKAB CCc1cc(C(=O)Nc2cccc(C)c2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 36621596 VZXGSYXQKJFUSK-UHFFFAOYSA-N 414.484 5.560 0 40 HKAB CCc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccc(F)cc1 40396768 RAMFASYYRUIAST-VWKPWSFCSA-N 418.516 5.410 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(CN2CCCC2)cc1 44872990 NLBJRBZKNOBBAH-OAQYLSRUSA-N 402.991 5.123 0 40 HKAB Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 44905830 USLWULMKJMQILI-QGZVFWFLSA-N 419.396 5.700 0 40 HKAB O=c1c(Cl)c(Cl)cnn1-c1ccc(N[C@@H]2C[C@H]2c2cccc(F)c2)c(Cl)c1 65199679 QZVRPQJILFWEAO-SUMWQHHRSA-N 424.690 5.300 0 40 HKAB Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)cc1C 67258508 RAYYEPMNHOCIDR-UHFFFAOYSA-N 420.965 6.007 0 40 HKAB Cc1ccc(C)c(CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)c1 67259888 SNEIMVBGAXXSDE-UHFFFAOYSA-N 410.539 5.555 0 40 HKAB Cc1c(-c2nc(-c3ccccc3)no2)sc2ncnc(SCc3ccccc3)c12 95471886 ROYXBSIWJILRFE-UHFFFAOYSA-N 416.531 6.009 0 40 HKAB O=C(CSCc1ccccc1)Nc1ccccc1Cc1nc(-c2cccs2)no1 96119737 MERHBMAUVBRJSG-UHFFFAOYSA-N 421.547 5.261 0 40 HKAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Br)cc1)c1ccco1 101363984 JCKKETRTEJRKBI-UHFFFAOYSA-N 410.223 5.068 0 40 HKAB Fc1ccc(NCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1Cl 107027236 KELJMVXHVJSRNY-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)ccc1Cl 222844300 VPIMTSJUCQTLCF-RTWAWAEBSA-N 410.974 5.215 0 40 HKAB CCSc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 223070622 ARMLCDJZZAZESG-HKWRFOASSA-N 422.575 5.578 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 224199894 MGSXXCLDKIUBAU-DHIUTWEWSA-N 404.583 5.566 0 40 HKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 224416245 IXKPPNPLAHQDEY-DHIUTWEWSA-N 414.509 5.189 0 40 HKAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COc1ccc(C)cc1 224472543 GKDACLDAOZTBEE-UHFFFAOYSA-N 417.549 6.350 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225675230 HGPFHMXVGRVRDJ-IBGZPJMESA-N 412.555 5.069 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c2ccccc12 225762034 MYSDSEUXXZURII-UHFFFAOYSA-N 419.540 6.854 0 40 HKAB CC(C)Cc1ccc(C[C@@]2(C)CCc3cccc(-c4ccc(C(=O)O)cc4)c3O2)cc1 257284040 PAZZYEJMHPFANB-MUUNZHRXSA-N 414.545 6.577 0 40 HKAB CCCCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccc(F)cc2)n(CCCC)n1 257336030 YMVSQKVJJMPPMQ-UHFFFAOYSA-N 424.516 5.962 0 40 HKAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc(Cl)c1OCC 260786467 XGYZBPHREDGDJU-UPRAQXHNSA-N 417.962 5.122 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C)cc3C)c3ccccc3n2)cc1 408643521 BKPIKXYAQOYAGQ-UHFFFAOYSA-N 424.500 5.623 0 40 HKAB Cc1cccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccccc2)c1 409103762 FQZUSQHZGDJWOW-UHFFFAOYSA-N 418.497 5.113 0 40 HKAB Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)c1C 409115641 KGQBDPJNDRUMRA-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)c2ccccc21 409120090 XYDXCKZRZIQOIG-IWIPYMOSSA-N 417.936 6.462 0 40 HKAB O=C1S[C@H](Cc2ccccc2OCc2ccccc2F)C(=O)N1Cc1ccccc1 409142590 DVCPDNLRKYKFJC-JOCHJYFZSA-N 421.493 5.211 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc(COc2ccc(Br)cc2)cc1 409182626 NNNIQLYIEDBSDK-UHFFFAOYSA-N 416.702 5.934 0 40 HKAB CCCN1C(=O)N/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)C1=O 409220722 DWKQBFRVHXXYIQ-PXLXIMEGSA-N 400.478 5.030 0 40 HKAB CCn1c(SCc2ccccc2Cl)nnc1-c1cc2cc(Cl)ccc2o1 409350031 WZMQLUNHBVOTRX-UHFFFAOYSA-N 404.322 6.310 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 409374896 BEGPQIQLUJDGPB-UHFFFAOYSA-N 414.864 5.117 0 40 HKAB O=C(C1CCCCC1)N(Cc1ccco1)c1nc(-c2ccc(Cl)cc2)cs1 932800 ULBFQHQHNYBVCF-UHFFFAOYSA-N 400.931 6.170 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1ccc(O[C@H](C)C(=O)OCc2ccccc2)cc1 953526 KFXIDYJKKBOZIJ-QGZVFWFLSA-N 423.896 5.411 0 40 HKAB O=C(CSc1ncc(-c2ccc(Cl)cc2)[nH]1)N(c1ccccc1)c1ccccc1 1355691 PBJWAESPWOQIBS-UHFFFAOYSA-N 419.937 6.187 0 40 HKAB Cc1ccccc1N(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCCC1)c1cccs1 1365836 VHQFCMXZVGTTRA-GOSISDBHSA-N 424.488 5.142 0 40 HKAB O=S(=O)(Nc1cccc(CCc2ccccn2)c1)c1ccc(C2CCCCC2)cc1 1425970 KVOFAMRFMGIGQJ-UHFFFAOYSA-N 420.578 5.715 0 40 HKAB COc1ccc(/C(Cl)=C(/c2ccc(O)cc2)c2ccc(OCCN(C)C)cc2)cc1 1629222 BJMAARQGPMBAAP-OCOZRVBESA-N 423.940 5.497 0 40 HKAB CC1(C)c2ssc(=S)c2-c2ccccc2N1CC(=O)c1ccc(F)cc1 2262164 DZGOJCXFDPKMJO-UHFFFAOYSA-N 401.553 6.283 0 40 HKAB CCCCCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 2270760 JIMXMNFOCZAVMZ-UHFFFAOYSA-N 412.603 5.891 0 40 HKAB O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1ccc(Cl)cc1 2388684 YBEXBGYZIBVLFT-UHFFFAOYSA-N 410.951 6.494 0 40 HKAB c1ccc(-c2nc3sc4c(NC5CCCCC5)ncnc4c3c3c2CCCC3)cc1 2417473 LXKYLDONCVKOKO-UHFFFAOYSA-N 414.578 6.530 0 40 HKAB CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1cc(OC)c(OC)c(OC)c1 2441632 PPLMJLJOUVDZQA-VWLOTQADSA-N 415.493 5.116 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cncc(Br)c4)cc3)sc2c1 2648723 TVLDSSUWPNGNEA-UHFFFAOYSA-N 424.323 5.682 0 40 HKAB Nc1ccc2nc(CCCCCCCCc3nc4ccc(N)cc4s3)sc2c1 2765621 XSXVCWSSHHXGLN-UHFFFAOYSA-N 410.612 6.196 0 40 HKAB O=C(c1ccccc1C(F)(F)F)N(c1ccc(F)cc1)c1nc2ccccc2s1 3231119 DXCPMEPBROONIV-UHFFFAOYSA-N 416.399 6.433 0 40 HKAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc(Cl)cc1Cl 3259607 MHLZMVHABHBLFG-LIRRHRJNSA-N 424.324 5.378 0 40 HKAB CCCCNc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 3304533 ANJHWXZNNBKZBF-UHFFFAOYSA-N 404.004 6.338 0 40 HKAB O=S(=O)(c1ccc2ccccc2c1)N(CCc1ccccc1)Cc1ccccc1 3335333 SLYNUQOFBHRGPD-UHFFFAOYSA-N 401.531 5.273 0 40 HKAB Cc1ccc(N(C(=O)c2cc(F)c(F)cc2Cl)C2=NCCCS2)cc1Cl 3350858 GATLEHKVBXUROF-UHFFFAOYSA-N 415.292 5.720 0 40 HKAB Cc1cc(C)c(C(=O)COC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)cc1C 3370164 OLBZTFZZNFZYSH-UHFFFAOYSA-N 424.928 5.167 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(CSc2ccc(Cl)cc2)cc1 3661170 TWIFGXRASPNJPC-UHFFFAOYSA-N 422.764 7.191 0 40 HKAB COc1ccc(C2=C[C@@H](c3ccccc3)[C@@H]3CCCC[C@]34Oc3ccccc3N24)cc1 3999167 HGGPYRPVMWSYOB-QONNDPFASA-N 409.529 6.619 0 40 HKAB CC(C)c1ccc2nc(Nc3nc4ccc(S(C)(=O)=O)cc4s3)sc2c1 4137710 VVCDKBPDRAAIIC-UHFFFAOYSA-N 403.554 5.177 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)c3cccc(F)c3)C3CCCCC3)cc2c1 4861286 HQFGNIQOLNXCTJ-UHFFFAOYSA-N 424.947 6.619 0 40 HKAB O=C(CNc1ccc(F)cc1)Nc1ncc(Cc2c(Cl)cccc2Cl)s1 5012196 GTXGSYKSGBFJQP-UHFFFAOYSA-N 410.301 5.230 0 40 HKAB O=C(CSc1nc2ccccc2o1)c1ccc(-c2ccc(Cl)cc2Cl)o1 5032294 TYJFOHMVZOEQJX-UHFFFAOYSA-N 404.274 6.370 0 40 HKAB CC(C)c1ccc([C@@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1 5033101 BQKORMCNTWMRAI-OUTSHDOLSA-N 415.514 5.820 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(C)c(Cl)c3)C2=O)cc1 5165865 KDFPVILOKQPCPA-VCHYOVAHSA-N 402.903 5.153 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1)c1ccccc1F 5174200 OXKUJBVWFFWXJB-UHFFFAOYSA-N 401.224 6.193 0 40 HKAB CC1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 5528858 KSCAGNKTAQLIBF-ITPIWRKBSA-N 408.545 6.804 0 40 HKAB Cc1ccc(C(=O)n2ccc(-c3ccccc3OCc3ccc(Cl)cc3)n2)cc1 6211665 QLLCMZRHMJSDMI-UHFFFAOYSA-N 402.881 5.779 0 40 HKAB O=C(O)c1ccccc1SCc1ccc(CSc2ccccc2C(=O)O)cc1 6222350 YIDSOOUBHDTRDT-UHFFFAOYSA-N 410.516 5.668 0 40 HKAB Cc1ccc(-n2c(SCC(=O)N[C@@H]3CCCC[C@H]3C)nnc2-c2ccccc2)cc1 6421364 NBBONYKZHSZVFW-WIYYLYMNSA-N 420.582 5.030 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)N[C@H]1C[C@H](C)CC(C)(C)C1 6483520 SXOOYTUJLLTENR-JSGCOSHPSA-N 419.978 5.123 0 40 HKAB COc1ccc(-n2c(-c3ccc(Cl)cc3)cnc2SCc2nccn2C)cc1 6648528 KZWUEVNQOFVIOV-UHFFFAOYSA-N 410.930 5.227 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1 7073069 ILVAMMLMZGCZPK-MRXNPFEDSA-N 418.468 6.165 0 40 HKAB Cc1ccc(-c2csc3ncnc(SCc4nnc(-c5ccco5)o4)c23)cc1 7234056 BHVVQYKSXGVUHX-UHFFFAOYSA-N 406.492 5.602 0 40 HKAB c1ccc(-c2noc(CCCSc3nnc(-c4cccs4)n3C3CC3)n2)cc1 7546420 LUAJTYYNGVUPQU-UHFFFAOYSA-N 409.540 5.116 0 40 HKAB O=C(/C=C/c1nc2ccccc2s1)Oc1ccc(Cl)cc1Cc1ccccc1 7814275 DOSSYRFXGLPVLK-OUKQBFOZSA-N 405.906 6.159 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c(C)c1 8041626 WATYUCMBTGCOSD-OAHLLOKOSA-N 412.382 5.427 0 40 HKAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1 8273399 OJRHHSAJCFJPLZ-UHFFFAOYSA-N 423.560 5.572 0 40 HKAB COc1ccc(C(=O)Nc2ccc3nc(SCc4ccc(C)cc4)sc3c2)cc1 8673859 GFAGOWOPFDAZKU-UHFFFAOYSA-N 420.559 6.158 0 40 HKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccnn2C(C)C)cc1 8726351 MXIOTSASJBNEPP-UHFFFAOYSA-N 402.498 5.192 0 40 HKAB COc1ccc(-c2nc(CSc3nnc(C4CC4)n3-c3ccccc3)cs2)cc1 9056584 SGBMQRDWYOOJJL-UHFFFAOYSA-N 420.563 5.569 0 40 HKAB CC(C)c1ccc(NC(=O)CCC(=O)N2c3ccccc3C[C@@H]2c2ccccc2)cc1 9095219 DSLGKZZADSQQTJ-RUZDIDTESA-N 412.533 5.859 0 40 HKAB Fc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)cc1 9391128 IXDGZWWCHGJMPQ-IBGZPJMESA-N 420.340 5.736 0 40 HKAB Cc1cc(-c2csc(NC(=O)CNC(=O)c3ccc4ccccc4c3)n2)c(C)s1 9780091 ODIPPWWDQHLACD-UHFFFAOYSA-N 421.547 5.010 0 40 HKAB CCOc1ccc(-c2ccc3nnc(SCc4c(F)cccc4Cl)n3n2)cc1 9829089 POLPZKXEOXMKIT-UHFFFAOYSA-N 414.893 5.275 0 40 HKAB Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(OCc3ccccc3F)cc2O)n1 11866334 QNNWEGLWCHYSLE-UHFFFAOYSA-N 421.859 5.470 0 40 HKAB biogenic Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccccc1)O2 12192663 OCUYEVYYIQOLCN-IRLDBZIGSA-N 405.295 5.691 0 40 HKAB Cc1cc2oc(=O)cc(C)c2c2c1C(=O)C[C@H](c1ccccc1OC(F)(F)F)O2 12408071 QOSAJPNBFDVQAF-OAHLLOKOSA-N 404.340 5.015 0 40 HKAB Cc1nc(-c2ccco2)nc2sc(C(=O)Nc3nc(C(C)(C)C)cs3)c(C)c12 12878195 SMIMLTKFUJRASW-UHFFFAOYSA-N 412.540 5.574 0 40 HKAB Cc1ccc2nc(C)c(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cc2c1 12918119 CYFSSRGLWFUFCF-KRWDZBQOSA-N 401.535 5.481 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 13584423 MCTMNNYPYMGTFV-GOSISDBHSA-N 421.305 5.126 0 40 HKAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(SC)cc2)n2c(nc3ccccc32)N1 13634874 FJIBBXBAMBXBMJ-NRFANRHFSA-N 407.539 5.390 0 40 HKAB CCc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)CC[C@@H](c3ccccc3)[C@H]2C1=O 15188276 HRJPWCOIITWIBB-DXQXWHQDSA-N 409.529 5.716 0 40 HKAB COc1ccc(Cc2c(Cl)nc(SC)nc2Nc2ccc(OC)cc2)cc1 15566332 CAWKTQQPABYNJG-UHFFFAOYSA-N 401.919 5.204 0 40 HKAB Cc1ccc(-n2nc3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3n2)cc1 17092497 HSTZHJNMVXJAEJ-UHFFFAOYSA-N 420.900 5.178 0 40 HKAB CC(C)(C)[C@@H]1C/C(=C\c2ccc3c(c2)OCO3)c2nc3ccccc3c(C(=O)O)c2C1 19229880 AUMBAGOVHVKCGZ-BRVCPTFNSA-N 415.489 5.811 0 40 HKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(C2CCCCC2)cc1 20144930 ADGGVDJQONYHTB-UHFFFAOYSA-N 419.521 5.813 0 40 HKAB CC(C)C[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccccc1 20451157 ZIWJLDRLXKKHQB-QGZVFWFLSA-N 410.739 5.385 0 40 HKAB Cc1nc(CSc2ccccc2C(=O)N[C@@H](C)c2cccc3ccccc23)no1 28434102 DBFJKAGHGUXOES-HNNXBMFYSA-N 403.507 5.315 0 40 HKAB C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1OC(F)F 29138538 BFGSCTNPMZMTIY-ZDUSSCGKSA-N 420.843 5.406 0 40 HKAB CCOc1c(Cl)cc(C(=O)Nc2ccc(OCC)c3ncccc23)cc1Cl 32593290 JOEVPXOKPOGOQF-UHFFFAOYSA-N 405.281 5.591 0 40 HKAB Cc1cccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3Cl)n2)c1 33324989 RIMLZOPVQFLCGW-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)Nc3ccccc3C(F)(F)F)ccc21 38489806 CFXCPTNCEKZZHZ-UHFFFAOYSA-N 421.419 5.121 0 40 HKAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(CN2CCCCCC2)cc1 44915916 KBFQDFWYOANADS-UHFFFAOYSA-N 412.533 5.546 0 40 HKAB O=C(OCc1nc2cc(C(F)(F)F)ccc2s1)c1cnc(Cl)c(Cl)c1 48366701 BGKCARBRLSSEBT-UHFFFAOYSA-N 407.200 5.374 0 40 HKAB CN(Cc1ccccc1C(F)(F)F)C(=O)c1cccnc1Nc1cccc(F)c1 51066483 CAPHFSNPYQNCFI-UHFFFAOYSA-N 403.379 5.255 0 40 HKAB CCOc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)n[nH]2)cc1 51315516 QDRLWYLPKDHKGC-UHFFFAOYSA-N 409.795 5.400 0 40 HKAB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(-c4ccccc4)cc3)nn12 57313465 WRZQRNSBYMBHAK-UHFFFAOYSA-N 411.490 5.081 0 40 HKAB O=C(CCSc1ccc(Cl)cc1)Nc1ccc(I)cc1 59291573 WGRPBFJJHYCQFW-UHFFFAOYSA-N 417.699 5.066 0 40 HKAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(-c3ccco3)[nH]c2=O)cc1 60163246 BCAIALYHWVUEBT-UHFFFAOYSA-N 420.852 5.641 0 40 HKAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 71844206 LBIFKJXOAUIKIP-YADHBBJMSA-N 414.590 5.208 0 40 HKAB c1ccc2c(OCc3nn4c(C56CC7CC(CC(C7)C5)C6)nnc4s3)cccc2c1 80346203 BNDOENGIIVHDQO-UHFFFAOYSA-N 416.550 5.386 0 40 HKAB C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 89553000 XYHGJWJTGIGEMX-CQSZACIVSA-N 423.519 5.710 0 40 HKAB CC1(C)CC2=Nc3nn(-c4ccccc4)c(O)c3[C@H](c3ccccc3F)C2=C(O)C1 102644544 MNVVBVAILOADER-LJQANCHMSA-N 403.457 5.567 0 40 HKAB Cc1ccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 107027712 URCMVYOZHWGRFP-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB Cc1ccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1C 107027871 APBHUWVKLNCRMJ-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)c3)nc2c1 108084220 XGAIOYYKYZTEQZ-UHFFFAOYSA-N 422.484 6.932 0 40 HKAB CCOc1ccc([C@@H]2CCCN2C(=O)c2c(C)n(C)c3ccc(OCC)cc23)cc1 141583256 VTOXTRZNYOCVLR-QFIPXVFZSA-N 406.526 5.261 0 40 HKAB O=C(CCc1ccccc1Cl)NCCSCc1c(Cl)cccc1Cl 220012625 SBCDVVJEKPHQFS-UHFFFAOYSA-N 402.774 5.629 0 40 HKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCCC2)c1C 222960727 TXKIQHZCDCFOLO-GOTSBHOMSA-N 410.631 5.778 0 40 HKAB O=C(CSCc1ccc(Br)cc1)Nc1ccc(N2CCCCC2)cc1 224941061 RBOMFNWXPJMIBI-UHFFFAOYSA-N 419.388 5.311 0 40 HKAB CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(SC)cc1 224989023 CWTCNJKAGKZUPM-UHFFFAOYSA-N 409.882 5.296 0 40 HKAB COc1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)cc1Cl 225367991 NNEGJJRFRGFPOL-UHFFFAOYSA-N 419.374 5.361 0 40 HKAB CCN(Cc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H](c2ccccc2)O[C@H]2CCC[C@@H]21 257324879 WQONNACJWVCRMA-LDVJMBRRSA-N 403.488 6.226 0 40 HKAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 408564327 VXDZAEGAXYOABJ-UHFFFAOYSA-N 423.965 6.060 0 40 HKAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)o1 408633217 JALWLFFIUDMUGI-ODLFYWEKSA-N 420.446 5.047 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 408638486 CPGHSNVRRUHWIS-HXUWFJFHSA-N 422.484 5.624 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(F)cc2)c(C)c1 408695629 RSTZPEYNADIIKR-UHFFFAOYSA-N 414.484 5.559 0 40 HKAB COc1ccc(Br)c2c1-c1nc(Nc3cccc(Cl)c3)sc1CC2 408885712 FGXUPBNQTVWMJH-UHFFFAOYSA-N 421.747 6.077 0 40 HKAB COc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1 408952175 KVVQONAPLNRAAU-STZFKDTASA-N 404.491 5.031 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 409250103 WBFABEWWOOEOFK-OOIIIRTPSA-N 405.281 5.268 0 40 HKAB Cc1cc2sc(NC(=O)COc3ccc(Br)cc3)nc2cc1Cl 623543 PRMCYDPYWYHFPS-UHFFFAOYSA-N 411.708 5.038 0 40 HKAB Cc1nn(C(=O)c2cccc(COc3ccc(Cl)cc3Cl)c2)c(C)c1Cl 648350 AKHYNXIGSALVMX-UHFFFAOYSA-N 409.700 5.728 0 40 HKAB O=C(Nc1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1 852700 LBEGBJRNENTYPY-UHFFFAOYSA-N 419.695 6.151 0 40 HKAB O=C(NC(=S)NCc1ccccc1)c1ccc(-c2cccc(Cl)c2Cl)o1 1262440 DTHJFAKFOVATOQ-UHFFFAOYSA-N 405.306 5.058 0 40 HKAB COc1ccc(-n2ncc(S(=O)(=O)c3ccccc3)c2-c2ccc(Cl)cc2)cc1 1396957 YKTFPDPMGVDHHH-UHFFFAOYSA-N 424.909 5.034 0 40 HKAB O=C(Nc1cccc2ccccc12)c1cccc(NC(=O)c2ccccc2Cl)c1 1506460 QDCQIUARLPAVMI-UHFFFAOYSA-N 400.865 5.998 0 40 HKAB O=C(Oc1ccc2oc(-c3ccccc3Cl)cc(=O)c2c1)c1ccccc1Cl 1791873 HJABMMRIOZSVEM-UHFFFAOYSA-N 411.240 5.986 0 40 HKAB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccccc1Cl 2070743 SPWSCYZDRQYKFB-UHFFFAOYSA-N 418.008 7.063 0 40 HKAB CCCOC(=O)c1ccc(Oc2c(C)oc3cc(OC(=O)C(C)C)ccc3c2=O)cc1 2345513 UGFYAIXMQHWEDG-UHFFFAOYSA-N 424.449 5.022 0 40 HKAB biogenic Fc1ccccc1CNc1nc(-c2cccnc2)nc2scc(-c3ccccc3)c12 3337534 UUQKMCSCWGSUPG-UHFFFAOYSA-N 412.493 6.172 0 40 HKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(SCC(C)C)ncnc32)cc1 3658771 WRCGKLITMYTTGD-UHFFFAOYSA-N 403.551 6.234 0 40 HKAB COC(=O)c1sc2ccccc2c1NC(=O)c1cccc(Oc2ccccc2)c1 4134656 YGVBVOVNBDYCFZ-UHFFFAOYSA-N 403.459 5.733 0 40 HKAB O=C(CCSc1ccccc1)Nc1nc(-c2cc3ccccc3oc2=O)cs1 4167559 BPCQBRWSQJISNM-UHFFFAOYSA-N 408.504 5.037 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC5(SCCS5)[C@@]4(C)CC[C@@H]32)C1 4350022 GSOXJOKVDUGXML-WVYKEMLSSA-N 406.657 6.057 0 40 HKAB COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2ccc(C)cc23)cc1OC 4970303 IQZJPKYRZXXRCN-UHFFFAOYSA-N 409.489 5.875 0 40 HKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(F)cc1 5106923 ZKIKDKQZYVPQEZ-UHFFFAOYSA-N 418.424 5.475 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)cc1 5136237 JNKUKWMJWWQZNQ-UHFFFAOYSA-N 418.493 5.304 0 40 HKAB Cc1sc2nc([C@H](C)Sc3nc4cc(Cl)ccc4s3)[nH]c(=O)c2c1C 5361308 AIFKCXRSLQVQDO-VIFPVBQESA-N 407.973 5.718 0 40 HKAB Cc1ccc(CSc2nc3c(c(Sc4cccc(Cl)c4)n2)CCCC3)cc1 5541273 PWKLFVGGHPIGJE-UHFFFAOYSA-N 413.011 6.761 0 40 HKAB COc1cccc([C@H]2c3cc4c(cc3O[C@H](Nc3ccccc3)[C@H]2C)OCO4)c1OC 5551711 GBOIKVXJSZURGV-RKPBBICVSA-N 419.477 5.031 0 40 HKAB Cc1ccc(C)c(C(=O)COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 6203468 POMONNHWFRZWHV-UHFFFAOYSA-N 407.080 5.352 0 40 HKAB CCc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 6225201 SHYNOXIMOJPZNG-UHFFFAOYSA-N 403.865 5.928 0 40 HKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccc(Cl)cc3)cc2Cl)cc1 6300369 HWWDTZBREAXYGA-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB CCN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)C1=O 6325710 QGYDWSFMGQNUSI-BOPFTXTBSA-N 400.481 5.111 0 40 HKAB CCc1ccc(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)cc1 6532183 XZXUUHBKRRTNKS-UHFFFAOYSA-N 417.534 5.432 0 40 HKAB Cc1cccc(C(=O)NCCc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 6752643 UDCZTISNGPAUKO-UHFFFAOYSA-N 403.913 5.019 0 40 HKAB aggregator COc1ccc(Nc2nnc(SCC(=O)c3c(C)[nH]c4ccccc34)s2)cc1 6788668 YIIIUKFFDYGPRT-UHFFFAOYSA-N 410.524 5.055 0 40 HKAB COc1cccc(Nc2nnc(SCc3csc(-c4ccccc4)n3)s2)c1 6831560 FDMGOIPXLMTTBG-UHFFFAOYSA-N 412.565 5.706 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 6995426 RLBIDTCWEJEYCH-VEXUSMLFSA-N 408.538 5.443 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)cc1 7073029 KQWDPWYEGPKLQO-GOSISDBHSA-N 414.505 6.334 0 40 HKAB CN(Cc1ccsc1)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12 7434683 IINDWSVONYPIHV-UHFFFAOYSA-N 410.489 5.766 0 40 HKAB COc1cc(CNC2CCCCCCC2)ccc1OCc1c(F)cccc1Cl 7523518 GUMWMSYWKRZRMG-UHFFFAOYSA-N 405.941 6.269 0 40 HKAB COc1ccc(CNCc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1 7538487 WLZKXOBKIBYXKH-UHFFFAOYSA-N 401.481 5.856 0 40 HKAB CCOc1cc(CNC2CCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 8253946 AVLLRTRFWKTPAT-UHFFFAOYSA-N 408.369 6.393 0 40 HKAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccc(C(C)C)cc4)c3)nc2c1 8320531 LDPJDYQPXOHBOR-UHFFFAOYSA-N 414.505 6.253 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nc3ncccc3o2)cc1 8997194 WYPAZKOKIGVDIT-UHFFFAOYSA-N 421.884 5.017 0 40 HKAB O=C(NCCSc1ccc(Cl)cc1)C1CCN(Cc2ccccc2Cl)CC1 9063201 VHZDTIWBMWFZGT-UHFFFAOYSA-N 423.409 5.114 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)[nH]1 9199588 JPZVMARXIAXSEW-UHFFFAOYSA-N 414.962 5.462 0 40 HKAB Cc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)cc1 9250098 CXOXWMRESUAPKJ-UHFFFAOYSA-N 419.550 5.298 0 40 HKAB Cc1nc2ccc(C(=O)N(CCc3cccs3)Cc3cccs3)cc2nc1C 9533694 NDHQKRGFAGISRY-UHFFFAOYSA-N 407.564 5.255 0 40 HKAB Cc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 10233030 SWTPNEKVZRZJDK-SFHVURJKSA-N 422.893 5.270 0 40 HKAB O=C(CCNc1ccc(C(=O)NC2CCCCC2)cc1)c1ccc2ccccc2c1 12360499 RASJGNWQQNLRFY-UHFFFAOYSA-N 400.522 5.587 0 40 HKAB Cc1cc(C)cc(N(C(=O)c2cnccn2)c2nc(-c3ccc(F)cc3)cs2)c1 12796384 OFUOJFRRRGOODW-UHFFFAOYSA-N 404.470 5.335 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN(C)[C@@H](C)c4ccccc4)[nH]c(=O)c23)cc1 12992448 OGWMKWIZNVETIA-INIZCTEOSA-N 403.551 5.461 0 40 HKAB NC(=O)c1c(NC(=O)c2cccc(Oc3ccccc3)c2)sc2c1CCCCC2 13072780 HCNWSZQFJTYGDQ-UHFFFAOYSA-N 406.507 5.161 0 40 HKAB C[C@@H]1CCc2sc(-c3nnc(SCc4nc(-c5cccs5)no4)o3)cc2C1 13117235 DARYDXAWAPUJLO-SNVBAGLBSA-N 416.553 5.327 0 40 HKAB C[C@H](NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1)c1cc2ccccc2o1 13164321 SZFCEKCSMKSNRQ-NPMXOYFQSA-N 422.575 5.381 0 40 HKAB COc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(C)cc2)c1 13777336 GIYTWZRECQLAIO-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB COc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCc1cccc(C)c1 13926191 KQIOARIZHNFLKZ-MTJSOVHGSA-N 417.436 5.066 0 40 HKAB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc(F)cc1Cl 14076785 GLFTYTREWJPQGU-ZETCQYMHSA-N 413.223 5.666 0 40 HKAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SC/C=C/c2ccccc2)o1 16039368 BQYFFDGURDLXAC-XLNAKTSKSA-N 403.548 5.487 0 40 HKAB Cc1cc(Oc2ccccc2)nc(SCCOc2ccc(Br)cc2)n1 16887163 KJZXHITUQQQGAW-UHFFFAOYSA-N 417.328 5.511 0 40 HKAB O=C(Nc1nnc(-c2ccccc2Br)s1)C12CC3CC(CC(C3)C1)C2 17045182 MIZLCDVNRUUGQF-UHFFFAOYSA-N 418.360 5.123 0 40 HKAB Cc1ccc(C)c2sc(NC(=O)c3cccc4c(Br)cccc34)nc12 17088786 WIYHNYBASJSVPD-UHFFFAOYSA-N 411.324 6.081 0 40 HKAB O=C(CSc1nc2ccccc2o1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 17093330 YMSCFTXLCVUHSG-UHFFFAOYSA-N 422.893 5.443 0 40 HKAB CCOc1ccc(CCCNC(=O)[C@H](CC)Oc2cccc3ccccc23)cc1OC 20487358 QKONDOQPLCLXPD-QFIPXVFZSA-N 421.537 5.154 0 40 HKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 22510599 OLDNIYDFEBNWMG-NRFANRHFSA-N 409.913 6.545 0 40 HKAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)Nc1ccn(-c2ccccc2)n1 25050095 ZUINPSJICBZPDH-UHFFFAOYSA-N 424.913 5.122 0 40 HKAB Cc1ccccc1C(=O)N[C@@H](C)c1nc2ccccc2n1Cc1ccc(Cl)cc1 27587723 JHFGKCFVAPKZBM-KRWDZBQOSA-N 403.913 5.537 0 40 HKAB O=C(COc1ccccc1)Nc1nnc(-c2ccccc2-c2ccc(F)cc2)s1 27914015 XCXXABWCMGJTFZ-UHFFFAOYSA-N 405.454 5.029 0 40 HKAB CCOc1cc(/C=C2\SC(=S)N=C2O)cc(Cl)c1OCc1ccccc1F 32109515 ZKHXHISPVYPSRB-SXGWCWSVSA-N 423.918 5.786 0 40 HKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccccc3Cl)sc2c1 32118657 SBRUICRWYZKQRU-UHFFFAOYSA-N 403.960 5.419 0 40 HKAB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1cnc2c(cnn2C(C)C)c1 32845038 COXBRMPDXZTHOI-UHFFFAOYSA-N 421.526 5.162 0 40 HKAB COc1ccccc1-c1nnc(SCC[C@@H]2CCCCN2C)n1-c1ccc(C)cc1 32944878 MAGNQAMQDVXPPN-IBGZPJMESA-N 422.598 5.218 0 40 HKAB Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 40094780 ZICXAPHTWROUBD-KRWDZBQOSA-N 411.505 5.149 0 40 HKAB C[C@@H](NC(=O)CN[C@@H](c1cccs1)C(C)(C)C)c1ccc(Br)cc1 40155747 UOKVPPMLSNPROL-ACJLOTCBSA-N 409.393 5.065 0 40 HKAB O=C1S/C(=C\c2cnc(-c3ccccc3)o2)C(=O)N1c1cccc(C(F)(F)F)c1 40556510 XRAKLGRUYYUNFD-YBEGLDIGSA-N 416.380 5.601 0 40 HKAB COc1ccc(Nc2c(C(=O)N3CCCCCC3)cnc3nc(C)ccc23)cc1Cl 49004700 IUWFLCRUHIITNH-UHFFFAOYSA-N 424.932 5.360 0 40 HKAB O=C(Nc1ccccc1NCC(F)(F)F)c1cc2c(s1)-c1ccccc1OC2 58421224 CFPCXCDAQDCHFI-UHFFFAOYSA-N 404.413 5.534 0 40 HKAB Cc1ccc(-c2csc(C(=O)Nc3ccc4c(c3)OCO4)c2-n2cccc2)cc1 67245138 CXLOYKCZIOGMMX-UHFFFAOYSA-N 402.475 5.495 0 40 HKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](C)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 68568898 CKGXQXQXIGPTGU-NXKULWTNSA-N 412.746 9.300 0 40 HKAB CCOc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(F)cc4)=NN3C(C)=O)cc2c1 69351889 MOEZKQLDFNNNGW-NRFANRHFSA-N 411.864 5.124 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C=C1CCC(C)CC1)CC2 72285117 DCJOTMUWBXLLJM-OODIQHKMSA-N 411.567 5.376 0 40 HKAB S=C(Nc1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1cccc2nccnc12 72314571 RHBCZGVUIUCFBT-LJQANCHMSA-N 415.547 5.239 0 40 HKAB COc1cccc(-c2nccc([C@H]3CCCN3C(=O)c3ccc4oc(C)cc4c3)n2)c1 72355889 WJXQCMARDDSBTB-JOCHJYFZSA-N 413.477 5.184 0 40 HKAB Cc1nn(C(C)C)c(C)c1-c1nn2c(-c3ccc(Cl)cc3Cl)nnc2s1 72405963 PLIYTPNDMJONDT-UHFFFAOYSA-N 407.330 5.221 0 40 HKAB O=C(c1ccc(Cl)cc1)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 84429323 WVTKERJKDMYADC-KGMNJTBHSA-N 406.869 5.963 0 40 HKAB CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CN(C(=O)OCc3ccccc3)c3ccccc32)C1 91302603 IOSWBGQPCIQBBW-TZIWHRDSSA-N 422.525 5.184 0 40 HKAB CCCCCCCCCCCCCCCCCCc1cc2cc(C(=O)O)ccc2[nH]1 95763181 OMJDPZWMJSXLDV-UHFFFAOYSA-N 413.646 8.670 0 40 HKAB O=C(C1c2ccccc2Oc2ccccc21)N(CCc1cccs1)C1CCOCC1 206676125 IXIWQHZVWZLTQU-UHFFFAOYSA-N 419.546 5.236 0 40 HKAB O=C1S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1Cc1ccccc1 214067282 ISBZMJHCIMTUDA-HYARGMPZSA-N 419.477 5.641 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)Cc2ccc(Cl)cc2F)cc1 222762975 IODXAMYZMIMKCX-UHFFFAOYSA-N 420.267 6.115 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccccc1F 222930606 ZPZMPUCGFIXDDO-OAQYLSRUSA-N 403.563 5.330 0 40 HKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1 223792676 KGQQSSCYOWBXDT-VXKWHMMOSA-N 420.582 5.214 0 40 HKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2sccc2C)cc1Cl 224947847 TWUPQZMCMVJGFH-QZTJIDSGSA-N 415.971 5.291 0 40 HKAB CCC[C@@H](C)NC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224955600 LMKUHYHQFBGXRU-CQSZACIVSA-N 413.315 5.690 0 40 HKAB COc1ccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c2cccnc12 225701916 GYXZVZGEJYVFBA-QHCPKHFHSA-N 413.546 5.628 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCCCCC1 225711679 RTHATYDXCNEXNX-UHFFFAOYSA-N 416.606 5.400 0 40 HKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 225817130 GITKARVIKRYFRG-KRWDZBQOSA-N 421.924 6.417 0 40 HKAB C[C@H]1CCN(C(=O)CN2CCC[C@H]2c2nc3ccccc3s2)c2ccccc2S1 245237806 XGTNCRXWEGUSKF-LPHOPBHVSA-N 423.607 5.351 0 40 HKAB COc1ccccc1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257292982 QNQOQWKQHKAJRS-OAQYLSRUSA-N 424.928 5.224 0 40 HKAB CCOc1cc(C(=S)N2CCCC2)ccc1OCc1c(Cl)cccc1Cl 408578600 ZDHPBGDGIMQCAJ-UHFFFAOYSA-N 410.366 5.742 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3c(C)cccc3C)c3ccccc3n2)cc1 408648656 XSQLNIAVXRESAB-UHFFFAOYSA-N 424.500 5.623 0 40 HKAB COc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)c1 408699235 SIIUWCFVQYMPPK-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2cccc(C)c2)cc1 408700152 ZCSSWPVLKDPOQL-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCCCCNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408705054 XMTIQWVNYAUJEV-QFIPXVFZSA-N 416.974 5.034 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1 408724930 NDNULGUQVMWDCM-UHFFFAOYSA-N 423.903 6.598 0 40 HKAB CCCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccccc1 409103098 ALWOIQDOBKTYGY-UHFFFAOYSA-N 400.935 5.048 0 40 HKAB O=C1S/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N1CCCc1ccccc1 409138196 ZKXJUWNIHMYYTG-LTGZKZEYSA-N 422.937 5.800 0 40 HKAB O=C(Nc1ccc(Cl)cc1)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575443667 XSZXJIRYFGIIPI-UHFFFAOYSA-N 403.873 6.104 0 40 HKAB C/C(=C/C=C(/C)C(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3/C[C](O)C[C@H](O)C3)CCC[C@]12C 1560411615 QLTUVAKGIWXGKU-RTJMNGDISA-N 413.622 6.168 0 40 HKAB CC(C)(C)OC(=O)N[C@@H](CC(=O)O)Cc1ccccc1-c1cccc(Cl)c1F 1772714661 FQVDCPLHZQCRRV-CQSZACIVSA-N 407.869 5.057 0 40 HKAB Cc1ccsc1CN1C[C@@H](c2ccccc2)[C@@]2(CCN(c3ccsc3)C2=O)C1 2055773075 RYDXHDTYZHVNDP-NZQKXSOJSA-N 408.592 5.141 0 40 HKAB Cc1ccc2cccc(OC(=O)CCCC(=O)Oc3cccc4ccc(C)nc34)c2n1 682270 HDUALWUJRANMGU-UHFFFAOYSA-N 414.461 5.081 0 40 HKAB Cc1cccc(-c2nc3cc(NC(=O)c4ccccc4Br)ccc3o2)c1 726756 HEKNNHYRUDGSSW-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB CCOc1ccc2nc(Cl)c(CN(Cc3ccco3)C(=O)c3ccco3)cc2c1 1367893 HDCMEOPXBYZFAT-UHFFFAOYSA-N 410.857 5.316 0 40 HKAB FC(F)(F)c1cccc(COn2c(-c3ccc(Cl)cc3)nc3ncccc32)c1 1396593 PLTJJZCEJDVESM-UHFFFAOYSA-N 403.791 5.399 0 40 HKAB Cc1c2c(nc3sc(C(=O)Nc4cccc(C(F)(F)F)c4)c(N)c13)CCCC2 1427458 WXNYFFNQPIFTCL-UHFFFAOYSA-N 405.445 5.337 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2)c(C)c1 2594358 UDJZIZKQWFIRAW-UHFFFAOYSA-N 417.559 5.707 0 40 HKAB Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2cccs2)cc1 2707222 ZZRPWLZSZWLDMI-PKTZIBPZSA-N 412.518 5.169 0 40 HKAB CCc1cccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1 2799592 WBKJEMDDOIQULR-UHFFFAOYSA-N 407.417 5.049 0 40 HKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)Oc2cccc3cccnc23)c(C(C)C)c1 3183428 HRFZQJXLFXZUMI-UHFFFAOYSA-N 411.567 6.373 0 40 HKAB O=C(c1ccccc1)c1ccc(Oc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1 3214845 LRJHKQFBIOFEPP-UHFFFAOYSA-N 420.443 6.459 0 40 HKAB O=C(Nc1ccccc1C(=O)OCc1csc(Nc2ccccc2)n1)c1ccco1 3248913 VEWHSZPGBWOTOL-UHFFFAOYSA-N 419.462 5.089 0 40 HKAB C(=C/c1ccc(-c2cccs2)s1)\c1ccc(-c2ncc(-c3ccccc3)o2)cc1 3260474 FQWCOSUBDAYHNI-JLHYYAGUSA-N 411.551 7.969 0 40 HKAB CCOc1ccccc1N(C(=O)Cc1ccccc1F)c1nc2ccccc2s1 3456637 UCLPLVWQMUZMRG-UHFFFAOYSA-N 406.482 5.742 0 40 HKAB Cc1cc(Br)c(C(C)C)c(Br)c1OC(=O)c1ccco1 4050750 GBAXRHCEAAQHDT-UHFFFAOYSA-N 402.082 5.456 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4ccc(C)c(Cl)c4)c3)nc2c1 4703897 KPDZFRNWGLZCMD-UHFFFAOYSA-N 404.897 6.634 0 40 HKAB Cc1ccc(-c2nc(Cn3cnc4c(Cl)cc(Cl)cc4c3=O)cs2)cc1 5170941 JCQSQLKUIOUGTR-UHFFFAOYSA-N 402.306 5.184 0 40 HKAB O=C(c1ccccc1)c1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 5257548 FBEOONLRJMHJKV-UHFFFAOYSA-N 405.497 5.760 0 40 HKAB CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SC/C=C/c2ccccc2)o1 5499241 CCXGCWNETHEYAK-KXKDPZRNSA-N 421.588 5.194 0 40 HKAB CC[C@@H](CCNC(=O)Nc1ccc(Cl)cc1)NC(=O)Nc1ccc(Cl)cc1 6554922 NPBCKYMQGUSKSZ-HNNXBMFYSA-N 409.317 5.105 0 40 HKAB CCC(=O)c1ccc(Oc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)cc1 8149386 AMQSOJSSAXFBBB-UHFFFAOYSA-N 401.491 5.627 0 40 HKAB Cc1cc(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)nc(C(C)C)n1 8328815 BWVZZHVTFFQHDP-UHFFFAOYSA-N 407.499 5.214 0 40 HKAB O=S(=O)(C1=Cc2ccccc2CC1)N1CCCC[C@@H]1c1nc2ccccc2s1 8427937 VXMNPZSSDKIGRN-HXUWFJFHSA-N 410.564 5.140 0 40 HKAB COc1ccc(CCNCc2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1 8474378 ZPYYJHXHAVGSFM-UHFFFAOYSA-N 411.929 5.269 0 40 HKAB Cc1ccc(C(=O)Nc2sc(NC(=O)C(C)C)nc2-c2ccc(Cl)cc2)cc1 8990359 DAPCEPKKDQNEIJ-UHFFFAOYSA-N 413.930 5.619 0 40 HKAB Cc1cccc2cc(CN(C(=O)c3ccc(Cl)cc3)c3ccccc3)c(=O)[nH]c12 9216661 TYLYVVXVCAXKTO-UHFFFAOYSA-N 402.881 5.337 0 40 HKAB COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccc(F)cc3Cl)cc2O)cc1 9409765 YZDZEEFMRDTZDS-UHFFFAOYSA-N 424.859 5.829 0 40 HKAB O=C(NCCn1cc(SCc2cccc(F)c2)c2ccccc21)c1ccc(F)cc1 9775800 FKYKMOYEABKLQS-UHFFFAOYSA-N 422.500 5.642 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 9865398 VQZRWOOATIPKSE-UHFFFAOYSA-N 415.877 5.181 0 40 HKAB Cc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccc3c(c2)OCO3)cc1 12462006 QXYJSPUBVIIGRW-IZHYLOQSSA-N 400.503 5.534 0 40 HKAB aggregator Cc1cc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)ccc1Br 12650028 MKIMENOIGOSZCV-UHFFFAOYSA-N 418.294 5.620 0 40 HKAB C[C@@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)Nc1cccc(Cl)c1 12752092 CBJOJOJQPCQNJY-OAHLLOKOSA-N 408.889 5.423 0 40 HKAB COc1ccc([C@@H]2CCCCCN2C(=O)CCc2nnc(-c3ccc(C)cc3)o2)cc1 12913901 ABGWXMVZFZGJPM-QFIPXVFZSA-N 419.525 5.130 0 40 HKAB Cc1csc(SCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)n1 13115950 GLXCYFCDURXFBS-MRXNPFEDSA-N 423.519 5.261 0 40 HKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 13685250 INHLHBWIXXMXIZ-IBGZPJMESA-N 424.500 5.176 0 40 HKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 13685410 OMFZEVORLXFWJJ-IBGZPJMESA-N 424.500 5.176 0 40 HKAB C[C@H](NCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1ccc2c(c1)CCCC2 14183600 JSBKMORFMYPAGM-INIZCTEOSA-N 415.562 5.381 0 40 HKAB O=C(Nc1ccccc1)N(Cc1ccc(F)c(Cl)c1)c1nnc2n1CCCCC2 16769845 PGAZCFGBAZSJHJ-UHFFFAOYSA-N 413.884 5.036 0 40 HKAB Cc1ccc(-c2nn(Cc3ccccc3F)c(-c3ccc(C)c(C)c3)c2Cl)cc1C 17091722 FOIVCTRDLJCMNP-UHFFFAOYSA-N 418.943 7.292 0 40 HKAB Cc1c(C(=O)Nc2cccc(Cl)c2)nnc2c(-c3cccc4ccccc34)cnn12 19817177 SIBHAEHJOWKMES-UHFFFAOYSA-N 413.868 5.159 0 40 HKAB O=C(Cc1csc(-c2ccccc2Cl)n1)N[C@@H](c1ccccc1)c1cccs1 23042272 YUGAGAUMJWCCEG-NRFANRHFSA-N 424.978 5.973 0 40 HKAB CC(C)c1noc(-c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)n1 32578681 NFAOSEKDKPLMPT-UHFFFAOYSA-N 406.269 5.184 0 40 HKAB COc1c(Br)cc(CNc2cccc(Cl)c2C)cc1Br 37196643 OHADEADOZQISCG-UHFFFAOYSA-N 419.544 5.794 0 40 HKAB O=C1[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1ccccc1Cl 59418711 BGDAPEIECKMUJJ-YQORSWRPSA-N 420.295 5.087 0 40 HKAB Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1ccc(-c2ccccc2F)s1 60248427 MSSOKUVHAJOXSH-UHFFFAOYSA-N 410.514 5.501 0 40 HKAB Clc1cccc(-c2noc([C@H]3CC34CCN(c3nc5ccccc5o3)CC4)n2)c1 69668761 JWTFNNAGCODEKH-MRXNPFEDSA-N 406.873 5.305 0 40 HKAB CCOc1ccccc1NC(=O)c1sc2nc(-c3ccc(Cl)cc3)ccc2c1N 95471988 HWGVSMASPBEFKP-UHFFFAOYSA-N 423.925 5.850 0 40 HKAB Nc1ccc(Cl)c(Nc2cc(=O)n(-c3c(Cl)cc(Cl)cc3Cl)[nH]2)c1 100050796 WWMPJJGEDOGFQV-UHFFFAOYSA-N 404.084 5.105 0 40 HKAB Clc1ccc(-c2nc3n(n2)[C@H](c2ccccc2Cl)C=C(c2ccccc2)N3)cc1 100829492 WXJYBNJFHDKNLA-NRFANRHFSA-N 419.315 6.308 0 40 HKAB Cc1ccccc1N1C(=O)c2ccc(C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc2C1=O 102066572 QCLDUUXNUVDQEN-BVZALQNUSA-N 419.521 5.413 0 40 HKAB CC[C@@H](C)c1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)c3ccccc32)cc1 102898303 SGNJGVVUDZAAFM-WZGTUUFSSA-N 424.544 6.457 0 40 HKAB O=C(c1ccco1)c1ccc(CNC(=O)C2c3ccccc3Oc3ccccc32)s1 211082165 BGPBCEMUDYQQQL-UHFFFAOYSA-N 415.470 5.126 0 40 HKAB CC[C@@H](NC(=O)c1ccccc1OCc1ccccc1)c1ccc(OC)c(OC)c1 218988024 UVPZZAOXHAZEJM-OAQYLSRUSA-N 405.494 5.164 0 40 HKAB CCCOc1ccccc1CCCNC(=O)[C@@H](CC)Oc1ccc2ccccc2c1 219347926 BRBZAPSNNRERLI-XMMPIXPASA-N 405.538 5.535 0 40 HKAB CC(C)c1ccc(CCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 222597446 DDQLKWIJCFYCLA-QHCPKHFHSA-N 413.005 5.424 0 40 HKAB O=C(NCc1cccc(C(F)(F)F)c1)/C(=C/c1ccccc1Cl)c1ccccc1 222856669 JKRRUDIHABWAGW-XSFVSMFZSA-N 415.842 6.216 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C(C)C 223319850 PJGKSKZVKDCXDT-ZWKOTPCHSA-N 417.977 6.042 0 40 HKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224096183 AAIZTTUWCPSVAK-OAQYLSRUSA-N 422.613 5.106 0 40 HKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)Cc1cccc(Cl)c1 224588987 GYGNWOVFOFUYLJ-UHFFFAOYSA-N 402.277 5.976 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1ccc(C)c(C)c1 224622033 WBPFDVRRLJVWIO-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc4ccccc34)o2)c(OC)c1 224866955 DQVQNMGMHDSUKS-UHFFFAOYSA-N 402.450 5.083 0 40 HKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 225007557 XECSZVKJJVNYNV-NHCUHLMSSA-N 416.565 5.104 0 40 HKAB C[C@@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1 225281116 JJAGHDISWTWVQC-GOSISDBHSA-N 416.590 6.263 0 40 HKAB CCOC(=O)c1cc(NC(=S)N[C@H](c2ccc(C)cc2C)C(C)C)ccc1Cl 225765811 ALQNWIDOTNHIRO-FQEVSTJZSA-N 418.990 5.817 0 40 HKAB CN(C[C@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1)C1CCCCC1 226069682 LCIWUYFHXJRBEI-QHCPKHFHSA-N 419.650 5.421 0 40 HKAB CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(C)cc2)c(Br)c1 226340857 RXNCOIOTGXXLBX-CMDGGOBGSA-N 409.707 5.566 0 40 HKAB COc1ccc(CCN2CCC[C@@H](c3ccc(Cc4cccc(F)c4)cn3)C2)cc1 257199985 ABNQHQAHTNFOBC-HSZRJFAPSA-N 404.529 5.242 0 40 HKAB O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3cccc4ccccc34)C2)no1 257231460 GGTYLKLJVZWBDA-NRFANRHFSA-N 417.553 5.270 0 40 HKAB Cc1cccc(Oc2ccc(C(=O)c3ccc(-c4ccc(F)c(Cl)c4)o3)cc2)c1 408618198 DXFYKRIGRVKQFJ-UHFFFAOYSA-N 406.840 7.071 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccccc2)cc1 408697161 FKPFWTIWKBIGQF-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CCc1ccccc1NCc1cc(Br)ccc1OCc1ccc(F)cc1 409120238 VYOYOMQTLLJPNI-UHFFFAOYSA-N 414.318 6.342 0 40 HKAB Cc1cccc(C(=O)N2CCCCCCCN(C(=O)CC(C)C)c3ccccc3C2)c1 643589486 VCQZBEFWTLQHCY-UHFFFAOYSA-N 420.597 5.981 0 40 HKAB COc1ccc([C@@H](CCN(Cc2ccccc2)C(C)=O)[C@@H]2CCOC(C)(C)C2)cc1 915282 CIXLOJIXHJGRAX-ILBGXUMGSA-N 409.570 5.423 0 40 HKAB COc1ccc2oc(=O)c(-c3nnc(Nc4cccc5ccccc45)s3)cc2c1 970929 QIOQDSDJSNDOHD-UHFFFAOYSA-N 401.447 5.217 0 40 HKAB O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCCC2)cs1)C1CCC1 1366557 JRMVGNNTRCRAIF-UHFFFAOYSA-N 409.555 5.018 0 40 HKAB O=C(Nc1cccn1-c1ncc(C(F)(F)F)cc1Cl)Oc1ccc(Cl)cc1 1385684 PHOVDOQXYWNAND-UHFFFAOYSA-N 416.186 5.809 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)OCCCCOC(=O)/C=C/c1ccc(Cl)cc1 1674692 MLOMMZSPHHDEQH-FNCQTZNRSA-N 419.304 5.587 0 40 HKAB C[C@H](C(=O)c1ccccc1)n1cnc2scc(-c3ccc4c(c3)CCCC4)c2c1=O 1792229 TZKXAMYRKPQWHT-MRXNPFEDSA-N 414.530 5.448 0 40 HKAB CCCCCOc1ccc(N[P@@](C)(=O)Oc2ccc(Cl)cc2Cl)cc1 1803580 PAVRKJHRZQUJPA-VWLOTQADSA-N 402.258 6.876 0 40 HKAB CCOC(=O)c1c(NC(=O)CCCOc2ccccc2)sc(C)c1-c1ccccc1 1903797 WBXRGTBUQFAZEL-UHFFFAOYSA-N 423.534 5.698 0 40 HKAB CN(C)c1ccc(-n2c(-c3ccccc3)nnc2-c2ccc(-c3ccccc3)cc2)cc1 2030563 JJYDNWTWWOKIFU-UHFFFAOYSA-N 416.528 6.334 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)c1 2050771 BCEMOUAWQCTXTB-UHFFFAOYSA-N 402.450 5.545 0 40 HKAB CCn1c(SCCc2ccccc2)nc2sc3c(c2c1=O)CCc1ccccc1-3 2208814 OLEFNPDQJIDSNT-UHFFFAOYSA-N 418.587 5.578 0 40 HKAB CCCCN(CCCC)c1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 2293902 CDFKSQUZWIHABD-UHFFFAOYSA-N 410.631 6.477 0 40 HKAB Cc1ccc(NC(=O)c2c(N)n(-c3cccc(C)c3)c3nc4ccccc4nc23)cc1 2296637 IZMGMKPXWSFSPT-UHFFFAOYSA-N 407.477 5.025 0 40 HKAB Clc1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)c(Cl)c1 2452031 CYAAAPHILYRMGH-UHFFFAOYSA-N 401.322 5.474 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(N3c4ccccc4C[C@@H]3C)sc2Cl)cc1 2678760 BNWMRMLBMUNLOJ-ZDUSSCGKSA-N 404.944 5.020 0 40 HKAB O=C(NCc1ccc(Cl)cc1)c1cccc(COc2ccc(Cl)cc2Cl)c1 2750908 CXRQDCUFWFJKGS-UHFFFAOYSA-N 420.723 6.156 0 40 HKAB O=C(Oc1cccc(Cl)c1Cl)c1ccccc1OCc1ccc(Cl)cc1 3286897 CJNBVWJWFSDGDF-UHFFFAOYSA-N 407.680 6.445 0 40 HKAB CCCC[C@H](CC)COc1ccc(-c2cc(C)c(-c3ccc(OC)cc3)cc2C)cc1 3848708 JBRADUSOIBTZII-QHCPKHFHSA-N 416.605 8.241 0 40 HKAB biogenic CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C 3852192 ORLULZQEXHRVDY-JPFCIASHSA-N 412.702 7.945 0 40 HKAB CC(C)(C)N1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1=O 4386026 QBHTUAVXKYWRMA-OAHLLOKOSA-N 416.352 5.506 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 4545065 JANJUDLSERYEHP-UHFFFAOYSA-N 407.897 6.002 0 40 HKAB O=C1c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H](c2ccc(F)cc2)N1c1ccccc1 4813455 ZEQIOYXUTSVFSF-QFIPXVFZSA-N 403.844 5.619 0 40 HKAB CCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 4834872 OHYJGVXBBAKWQN-UKILVPOCSA-N 418.924 6.371 0 40 HKAB CC(C)OC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc12 5219771 ZWYINJOIHCNYIE-UHFFFAOYSA-N 415.280 5.028 0 40 HKAB O=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1 5545884 GPMGFUINOGYUQW-UHFFFAOYSA-N 403.913 5.101 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 5719005 CYQBPADVPFBVRS-QGZVFWFLSA-N 416.546 6.494 0 40 HKAB O=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1CCc1c[nH]c2ccccc12 5770881 OTEZYJOQLSTPFU-UHFFFAOYSA-N 413.304 5.176 0 40 HKAB CCOc1cc(/C=C/C(=O)O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 5953441 GJCNBGWABRDSOC-ZZXKWVIFSA-N 401.673 5.722 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 6232147 JLVOPMZEDWLSFY-UHFFFAOYSA-N 409.982 7.316 0 40 HKAB COc1ccccc1-c1nnc(SCC(=O)C(C)(C)C)n1-c1ccc(Cl)cc1 6830378 TYKISFVUTRXCCG-UHFFFAOYSA-N 415.946 5.304 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1 6881682 DUHBTNBTPRKAIQ-NRFANRHFSA-N 421.610 6.319 0 40 HKAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C)c2cccc3ccccc23)cc1 8340692 NSALDMPMPRSCTD-KRWDZBQOSA-N 414.505 5.444 0 40 HKAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 8384694 JYMXAABCEKSWMG-LIKPIUCQSA-N 420.295 5.390 0 40 HKAB CC(C)c1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1 8845437 UFABVLOBXDDXDP-RUZDIDTESA-N 424.504 5.046 0 40 HKAB Cc1cccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@@H]2CCCO2)c1C 8915783 JLSWXTLKZFCYIW-IBGZPJMESA-N 422.352 5.197 0 40 HKAB COc1ccc2nc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)sc2c1 9016042 DGPAQOKZPDEWQZ-UHFFFAOYSA-N 411.486 5.772 0 40 HKAB COc1cccc(-c2nnc(S[C@H](C)c3ccc(F)cc3)n2Cc2ccco2)c1 9155367 CJZJBKFVBYYPFD-OAHLLOKOSA-N 409.486 5.587 0 40 HKAB COc1cccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc4ccccc4n32)c1 9288298 NYIHPSJNDAQERS-DEOSSOPVSA-N 424.504 5.281 0 40 HKAB Cc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1Cl 9360015 ZHBYZQFOBUIIFK-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB CCc1c(C)noc1-c1cnc(N[C@@H](C)c2cccs2)nc1-c1cnc(C)cn1 12156531 WTKOJRGJNIDIGN-AWEZNQCLSA-N 406.515 5.002 0 40 HKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)OCCCO2 12552094 OWNLRGBCOKSUDU-UHFFFAOYSA-N 419.264 5.370 0 40 HKAB CCOc1cc(-c2ccc(OC)cc2)c/c(=N\c2ccccc2N)c2c(C)oc(C)c12 12661461 MLZNOQRJPRVUNS-WEMUOSSPSA-N 414.505 5.939 0 40 HKAB biogenic Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c1 12861032 BTRONMSPWGPDQX-UHFFFAOYSA-N 422.598 5.262 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)cc1 13717263 YYBFDFCWXHWIQE-UHFFFAOYSA-N 418.518 6.478 0 40 HKAB CCc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccc4nccnc4c3)C2)cc1 13727889 IFSBAVYCISZKNN-QFIPXVFZSA-N 412.518 5.245 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2sc3cccc(Cl)c3c2Cl)N2CCCC2)o1 15860461 PGADAFJFANPZIO-CQSZACIVSA-N 423.365 5.676 0 40 HKAB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H]3CCCc4ccccc43)s2)cc1 16046124 VRMASUUEEIVOSZ-DNVCBOLYSA-N 424.595 5.265 0 40 HKAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 20046127 IPLDJYPNRFVMCO-HSZRJFAPSA-N 407.535 5.784 0 40 HKAB Cc1ccc(CNc2c(S(=O)(=O)c3ccccc3)cnc3ccc(Cl)cc23)cc1 20382414 OSOFBANCACZHHO-UHFFFAOYSA-N 422.937 5.642 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1cccnc1Nc1ccc(Br)cc1 22072784 RUGLGPABEKKJEH-UHFFFAOYSA-N 402.679 5.493 0 40 HKAB Clc1ccc(COc2ccc3ccccc3c2CNC2CCCC2)c(Cl)c1 22074241 STFUJRQRGICVJR-UHFFFAOYSA-N 400.349 6.758 0 40 HKAB Fc1ccc(CN[C@@H]2CCCc3c2cnn3Cc2ccccc2)cc1Br 27222909 XOEMMOCUENHZTG-HXUWFJFHSA-N 414.322 5.000 0 40 HKAB CCOc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)cc1 27582771 LUSMMPDXLQZRPR-JOCHJYFZSA-N 400.950 5.086 0 40 HKAB O=C(CSc1nc2ccccc2o1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 32848603 XFCSVDPFOWLZEN-QHCPKHFHSA-N 414.486 5.572 0 40 HKAB Cc1sc2[nH]c(-c3ccc(Sc4cccc5cccnc45)o3)nc(=O)c2c1C 33597663 BYWYDSXQNBRNPM-UHFFFAOYSA-N 405.504 5.561 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2cc(Cl)ccc2C)cc1OCc1ccccc1 33608920 UKHJBFLODZZXHO-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1 35040647 CQVGMIGUSTWPAQ-MHWRWJLKSA-N 418.337 5.058 0 40 HKAB O=C(O)c1cc(-c2ccc(Cl)cc2Cl)nc2cc(-c3ccc(F)cc3)nn12 36615764 XDJVBTOPJHDZSN-UHFFFAOYSA-N 402.212 5.207 0 40 HKAB O=C(NCCCc1ccc(Cl)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 39760908 QFQLCZMTKZEUMP-UHFFFAOYSA-N 423.359 5.094 0 40 HKAB O=C(CSc1ncc(-c2ccccc2)n1-c1cccc(Cl)c1)Nc1ccccc1 44087215 LEEUKXOYPABEGV-UHFFFAOYSA-N 419.937 5.924 0 40 HKAB O=C(N[C@H]1CCCc2ccccc21)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 44933009 VODWLZTYGVZDKE-QFIPXVFZSA-N 417.380 5.399 0 40 HKAB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3cccnc3Cl)cccc2c1Cl 57315846 MGRWAERZCIHAFW-UHFFFAOYSA-N 422.337 5.384 0 40 HKAB O=C(CSc1nnc(Cc2ccccc2)o1)N(c1ccccc1)C1CCCCC1 58169909 AILZKNZUSTXRSG-UHFFFAOYSA-N 407.539 5.118 0 40 HKAB Clc1cccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)c1 67261480 KVAXRGKVHKIWLK-UHFFFAOYSA-N 420.303 5.863 0 40 HKAB O=C(COc1ccc2ccccc2c1)NCc1nc(-c2ccc(Cl)cc2)cs1 72243340 RPOCFWGCAGJUHJ-UHFFFAOYSA-N 408.910 5.312 0 40 HKAB CCc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(OC)ccc4o3)c2C)cc1 72260286 SIZCGYFSAFMFTF-UHFFFAOYSA-N 416.477 5.392 0 40 HKAB Cc1cccc(NC(=O)[C@@H](Sc2nnc3sc4ccccc4n23)C(C)C)c1C 84218649 HPXRYMPYLAZRHT-SFHVURJKSA-N 410.568 5.316 0 40 HKAB CC(C)(C)OC(=O)N1CCC[C@@H](Nc2nc3ccccc3n2Cc2ccc(F)cc2)C1 90558318 DOTWOTWDKIYEPT-LJQANCHMSA-N 424.520 5.035 0 40 HKAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C1/C(=O)Nc2ccc(Cl)cc21 96021485 BAPJMNBIESXIAM-RQZCQDPDSA-N 402.256 5.178 0 40 HKAB CC(C)[C@@H](O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 96031659 IOWMKBFJCNLRTC-KHWZKQRFSA-N 402.663 6.360 0 40 HKAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCc2cccc(Cl)c2)C12CCCC2 96344405 WQTDPUBHPGFBGD-JOCHJYFZSA-N 424.972 5.309 0 40 HKAB CCCOc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=Nc2ccccc2N1C(C)=O 100425585 VSRDVLMBPJIGLH-RUZDIDTESA-N 418.537 6.288 0 40 HKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5cc(Cl)cc(Cl)c5)(C4)C2)C3)cc1 101132767 SHNWDDWANUDFGT-WADIDORASA-N 414.376 6.779 0 40 HKAB CC(C)(C)C1CCC2(CC1)Nc1ccccc1-c1nc(=O)c(-c3ccccc3)nn12 101892578 ZZDSMZYPUWQLPJ-UHFFFAOYSA-N 400.526 5.287 0 40 HKAB C[C@@H]1CC2=NC(Nc3nc4ccccc4s3)=N[C@@H](c3cc(F)cc(F)c3)C2=C(O)C1 102675766 RLSVXQWELKLIDB-GIPWTMENSA-N 424.476 5.780 0 40 HKAB O=C(COc1cccc(Cl)c1)NCCSCc1ccc(Cl)cc1Cl 222765086 CCWBJFMCUHMOBQ-UHFFFAOYSA-N 404.746 5.075 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1C(C)C 223385855 CTLVPCMLFSQOBA-GOSISDBHSA-N 405.542 5.171 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1CSc1ccccc1 224654151 RTQXFEREABNHJI-UHFFFAOYSA-N 421.518 5.417 0 40 HKAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 224898035 UHEVYKZWXFXKJQ-UHFFFAOYSA-N 422.981 6.485 0 40 HKAB NC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1 224962613 IBSQTKMUBFEKEI-UHFFFAOYSA-N 417.852 5.013 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225749874 UDSSAGQUWUAAQZ-SQJMNOBHSA-N 418.622 5.644 0 40 HKAB O=C(c1ccccc1-c1ccccc1)N1CCC2(CC1)C[C@@H](Oc1ccccc1)CO2 257240082 HRZCFUSJISVMEF-HSZRJFAPSA-N 413.517 5.196 0 40 HKAB O=C1S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1Cc1ccc(F)cc1 408604551 VHWFELURTQIYQA-VXLYETTFSA-N 415.392 5.600 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1Cl 408627608 MHQXGQDQOGYRBE-OAHLLOKOSA-N 401.963 5.154 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc(C)c3C)c3ccccc3n2)cc1 408646067 NQWOXZKUMXUFBE-UHFFFAOYSA-N 424.500 5.623 0 40 HKAB CCCc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccc(C)cc1 408835729 ZDWBGBMJWYUYLF-UHFFFAOYSA-N 415.356 6.086 0 40 HKAB Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccncc1 409146278 SHLLWOBGQRMRJS-CJLVFECKSA-N 417.534 5.158 0 40 HKAB COC(=O)c1cc(-c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)on1 1857794057 DYAYJSPOCDQYTA-UHFFFAOYSA-N 415.445 5.286 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2nnc3c(C)cc4ccc(C)c(C)c4n23)c1 903116 WKIJSRLZKLLRSL-UHFFFAOYSA-N 404.539 5.155 0 40 HKAB CCOc1ccc2nc3sc(C(=O)N4CCCc5ccccc54)c(N)c3cc2c1 917082 TXWOBOUMMMXECF-UHFFFAOYSA-N 403.507 5.023 0 40 HKAB COc1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccccc23)c(OC)c1 1106367 PDLQDMWAWKRIML-NCELDCMTSA-N 401.418 5.078 0 40 HKAB biogenic CC1CCN(C(=O)CSc2nc(C3CC3)nc3sc4c(c23)CC[C@H](C)C4)CC1 1377334 LDEKQRFQVJBBNN-AWEZNQCLSA-N 415.628 5.044 0 40 HKAB CN(c1ccccc1)c1c(Cl)c(=O)oc2c1ccc1nc(-c3ccccc3)sc12 1582260 DSUZRHYZODTCET-UHFFFAOYSA-N 418.905 6.491 0 40 HKAB Cc1ccccc1-n1c(SCc2ccccc2)nc2nc3c(cc2c1=O)CCCC3 1774591 MYVXTDAXVUUFHH-UHFFFAOYSA-N 413.546 5.260 0 40 HKAB CCCCCCOc1ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)coc2c1 1775075 ZAOACRGQQKFQBK-UHFFFAOYSA-N 400.902 6.815 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Oc1ccc2c3c(c(=O)oc2c1)CCC3 1807744 AFOZEAFMLOHMPF-WEVVVXLNSA-N 401.245 5.207 0 40 HKAB Clc1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)o2)c(Cl)c1 1948619 YPWRTCCFJTWPPD-UHFFFAOYSA-N 406.121 6.643 0 40 HKAB Cc1ccc(Cl)cc1N1COc2c(cc3c(-c4ccccc4)cc(=O)oc3c2C)C1 2125719 LBXRRWAGISWLTJ-UHFFFAOYSA-N 417.892 6.087 0 40 HKAB biogenic O=C(NC[C@H](C(=O)O)c1ccc(Cl)cc1)OCC1c2ccccc2-c2ccccc21 2505554 VPGXZWIGRRRZMG-NRFANRHFSA-N 421.880 5.047 0 40 HKAB COc1ccc(OCc2ccc(-c3nc4c5c(C)c(C)sc5ncn4n3)cc2)cc1 2730644 AXBJGRXGUZILPL-UHFFFAOYSA-N 416.506 5.210 0 40 HKAB CC(C)CNc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 3284027 CSTRZIKDEQZCKZ-UHFFFAOYSA-N 404.004 6.194 0 40 HKAB O=C(N1CCN=C1SCc1c(F)cccc1Cl)C12CC3CC(CC(C3)C1)C2 4120140 ZOQDVYARHGUGCW-UHFFFAOYSA-N 406.954 5.127 0 40 HKAB Clc1ccc(C=Cc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(Cl)c1 4154595 MWJBXJZBUGCCLO-UHFFFAOYSA-N 403.312 7.288 0 40 HKAB O=C(Nc1ccccc1)N1N=C2c3ccccc3CC[C@H]2[C@H]1c1ccccc1Cl 4665065 CJDOZMFPACQMPV-NFBKMPQASA-N 401.897 5.896 0 40 HKAB C[C@@]12[C@H](c3ccc(F)cc3)c3ccccc3O[C@]1(c1cccs1)C2(Cl)Cl 4681814 LGQNCDSWNAUXGK-AQNXPRMDSA-N 405.321 6.501 0 40 HKAB O=C(Nc1sc2ccccc2c(=O)c1-c1cccc2ccccc12)c1ccccc1 5350145 CWPVAAGCODVQAA-UHFFFAOYSA-N 407.494 6.334 0 40 HKAB c1ccc(C(c2ccccc2)c2nnc(C3c4ccccc4-c4ccccc43)o2)cc1 5515801 BNTQZWZTHXFALS-UHFFFAOYSA-N 400.481 6.410 0 40 HKAB COc1ccc(C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)cc1 5670401 MAEVEGQVHKULCU-BNGJZBDHSA-N 422.528 6.132 0 40 HKAB COc1cc(/C=C2/Sc3ccccc3C2=O)cc(Cl)c1OCc1ccccc1 6441193 BAAWBRYXDVVZOR-FYJGNVAPSA-N 408.906 6.257 0 40 HKAB CC(C)Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccccc1F 6538059 MQCVSLBVVHXPEQ-UHFFFAOYSA-N 418.925 5.124 0 40 HKAB CC(C)N(C(=O)Cn1c([C@H](C)Oc2ccccc2)nc2ccccc21)c1ccccc1 6664914 LSBJLOICHRMTLK-FQEVSTJZSA-N 413.521 5.618 0 40 HKAB Cc1cc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)c(C)n1CC(F)(F)F 6786768 ORRBRDKWVKRWHU-UHFFFAOYSA-N 409.433 5.306 0 40 HKAB CCc1cccc(CC)c1NC(=O)CSc1nnc(Nc2cccc(C)c2)s1 6830372 QCAYIXWWQRIXDW-UHFFFAOYSA-N 412.584 5.446 0 40 HKAB CCOc1cc(Cl)c(Cl)c2cc(-c3nc4cc(C)c(C)cc4[nH]3)c(=O)oc12 7342804 SROPXSJZVOWKBT-UHFFFAOYSA-N 403.265 5.659 0 40 HKAB COc1ccccc1CN(C)c1nc(-c2cccnc2)nc2sc3c(c12)CCCC3 7652616 VQTFMTOVLZUXGC-UHFFFAOYSA-N 416.550 5.277 0 40 HKAB COc1cc(/C=C2\CCn3c2nc2sc(C)c(C)c2c3=O)ccc1OCCC(C)C 7778336 HCJFSRDHLBVNMK-LDADJPATSA-N 424.566 5.453 0 40 HKAB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 7928257 YLCJCYSCCWIISX-QGZVFWFLSA-N 420.896 5.432 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCCN(C)C)ncnc32)cc1Cl 8412987 NTMMRGFWDHNLOS-UHFFFAOYSA-N 405.933 5.023 0 40 HKAB O=C(Nc1ccc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)cc1)c1ccco1 9728994 GXIQZKWZKROJPI-UHFFFAOYSA-N 418.474 5.484 0 40 HKAB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3cccs3)n3ccccc23)cc1Cl 12342102 LWHSULGYYNHJRW-UHFFFAOYSA-N 409.898 5.028 0 40 HKAB Cc1ccc(-c2csc(NC(=O)CCCSc3nc4ccccc4[nH]3)n2)cc1C 12539083 XTJZEBLDLLDQNT-UHFFFAOYSA-N 422.579 5.814 0 40 HKAB c1ccc(-c2cc3c(N4CCC[C@H]4c4nnc5n4CCCCC5)ncnc3s2)cc1 13021314 DIZWSHCSERAVNU-SFHVURJKSA-N 416.554 5.018 0 40 HKAB COc1ccccc1-c1nc(CSc2nc(C3CC3)n(-c3ccccc3)n2)cs1 13121267 YUWBPPYYYXTYLD-UHFFFAOYSA-N 420.563 5.569 0 40 HKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(Oc2ccc(Cl)cc2)cc1 13534073 NLWDOMSFXVUOIB-MOSHPQCFSA-N 410.256 6.130 0 40 HKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccccc3C)n2CC)cc1 13871541 JWFZJJHRJLJWRH-QGZVFWFLSA-N 424.570 5.040 0 40 HKAB Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@@H](c1cccc(Cl)c1)CC(=O)N2 15106626 AYDWVKZSIPTWDB-MRXNPFEDSA-N 414.889 5.575 0 40 HKAB Cc1ccc(-n2nc3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3n2)cc1 17089406 PIALSZUOBGNBCT-UHFFFAOYSA-N 412.880 5.788 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 17090097 RVFFWBHHCDUOGQ-OAHLLOKOSA-N 414.571 5.038 0 40 HKAB CC1CCN(Cc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)CC1 20043765 LIXFAKJBKNQSSY-UHFFFAOYSA-N 410.867 5.843 0 40 HKAB Cc1oc2cc3oc(=O)c(CCC(=O)NC4CCCCCCC4)c(C)c3cc2c1C 20427051 JLGOQMQNMPLLSP-UHFFFAOYSA-N 409.526 5.626 0 40 HKAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 20460098 FGQSDANOERAMSR-HXUWFJFHSA-N 405.563 5.966 0 40 HKAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2sccc2-n2cccc2)c1 25613765 DMTCKJGHORZRMT-UHFFFAOYSA-N 402.479 5.435 0 40 HKAB O=C(COc1ccc(Br)cc1)N(Cc1ccco1)c1ccc(Cl)cc1 27795282 GNIDRFZXHNBOTE-UHFFFAOYSA-N 420.690 5.308 0 40 HKAB Cc1ccc(Oc2ccccc2NC(=O)Cn2c(-c3cccs3)n[nH]c2=S)cc1 31297197 ZGSVIOMVTBBYSF-UHFFFAOYSA-N 422.535 5.409 0 40 HKAB O=C(NCc1cccc(F)c1)c1ccccc1SC[C@@H]1CCCN2CCCC[C@H]12 36056945 LPNFTHYQNAWEIM-SIKLNZKXSA-N 412.574 5.112 0 40 HKAB COc1cccc(CN2COc3c(cc4c(-c5ccccc5)cc(=O)oc4c3C)C2)c1 54278237 HHVZOKZVFWUBGX-UHFFFAOYSA-N 413.473 5.129 0 40 HKAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(C)C1CCCCCCC1 58438084 LZWLEKTZDTXZCJ-UHFFFAOYSA-N 418.990 6.147 0 40 HKAB Cc1ccc(C(=O)[C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 72332589 RAHRZNVFVOYGDE-LBNVMWSVSA-N 418.496 5.901 0 40 HKAB COc1ccc2c(c1)CN(C(=O)Nc1cc(F)c(OC)c(F)c1)[C@H](c1ccccc1)C2 97164664 JVOARQURGHPAAC-QFIPXVFZSA-N 424.447 5.314 0 40 HKAB O=C(Nc1ccc(C23C[C@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1ccccc1 100845810 YQTWEVXDOHZBKW-YFVLFDEISA-N 407.557 6.729 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)c1 101092428 ZHUKKGYYKMXWDN-QFBILLFUSA-N 403.345 5.000 0 40 HKAB COc1cccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc(F)cc4)CC(O)=C32)c1 103873953 NEQVDAFUFPKRRR-HFJWLAOPSA-N 414.480 6.463 0 40 HKAB CC(C)(C)OC(=O)N1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 167334264 MHIVLHDYDSAYCC-UHFFFAOYSA-N 412.921 5.028 0 40 HKAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cc(Cl)ccc1OCc1ccccc1 219773282 SLMMYBCKSBCUMA-UHFFFAOYSA-N 420.896 5.298 0 40 HKAB Cc1ccc(Nc2ccc(NC(=S)NCC3(c4ccccc4)CCCC3)cn2)cc1 223975113 AZXGVUSVTGZHOX-UHFFFAOYSA-N 416.594 5.932 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(COc3cccc(C)c3)c2)cc1 224388828 NHWPJBIIABGNMX-UHFFFAOYSA-N 417.549 6.568 0 40 HKAB S=C(NCCSCc1cccc(Cl)c1)Nc1cccc(Br)c1 225298479 PCVSUECVCZSWQH-UHFFFAOYSA-N 415.809 5.322 0 40 HKAB CC[C@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(OC)cc1 225487742 GZVKZHZPZOBGMC-QHCPKHFHSA-N 422.619 6.425 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NCCCc2ccccc2Cl)cc1Cl 225541581 ZCDTVNBVWNAABF-UHFFFAOYSA-N 411.354 5.089 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 225674884 OGDAJFUYLYMQJB-QGZVFWFLSA-N 418.946 5.024 0 40 HKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1 225705629 HMUDUULXMVOAKP-JOCHJYFZSA-N 413.986 5.848 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c2cccnc12 225871653 GYRMGHJTIFDJRV-UHFFFAOYSA-N 418.537 5.873 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC=C(/C=C\c5ccccc5)[C@@]4(C)CC[C@H]32)C1 245239113 FLDVEKQSXXBPDV-FBVHAMQASA-N 418.621 7.211 0 40 HKAB CCOc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1Cl 408594260 OEJVGTQWOUVJMO-UHFFFAOYSA-N 403.887 5.332 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(F)cc2)cc1 408693832 FQCHDHWOFCMDGL-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1ccc(Cl)c(Cl)c1)N2 408992602 APFXCWIGIGBQIV-VOQZNFBZSA-N 410.300 6.163 0 40 HKAB Cc1sc(Nc2cc(Cl)ccc2Cl)nc1-c1ccc(Br)cc1 409044239 UTTHJBJVYQMBDN-UHFFFAOYSA-N 414.155 6.931 0 40 HKAB CCc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)cc1 409112484 GUGIOIRXGIKEQS-UHFFFAOYSA-N 420.767 7.400 0 40 HKAB O=C1S/C(=C\c2ccccc2Sc2ccccc2)C(=O)N1CC1CCCCC1 409143542 MQQQJEQMTFBART-QNGOZBTKSA-N 409.576 6.454 0 40 HKAB CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@@H](c2ccccc2)N3)CC1 409174615 VQRFBLORMDWYOW-QAVHCGMISA-N 400.566 5.855 0 40 HKAB O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)C1c2ccccc2Oc2ccccc21 1775968844 NDJQOEFXHFGACM-GOSISDBHSA-N 417.486 5.096 0 40 HKAB Cc1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc(Cl)cc1 687085 DXPICZFZCYMNNB-DEOSSOPVSA-N 400.909 5.918 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)Nc2ccccc2)c1C 714847 BEJWHJVLHRINDI-UHFFFAOYSA-N 422.506 5.046 0 40 HKAB O=C(O)C(=C\c1cc2ccccc2s1)/C(=C/c1cc2ccccc2s1)C(=O)O 984480 QSSLOKZEBDTKJK-WHYMJUELSA-N 406.484 5.752 0 40 HKAB COc1ccc(OC)c(C(=O)CSc2ncnc3scc(-c4ccccc4)c23)c1 1224456 XSKJEKMPJRCZQF-UHFFFAOYSA-N 422.531 5.351 0 40 HKAB CCOc1ccc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccc(O)cc23)cc1 1322772 RCUWSJZQCLZHTR-LKUDQCMESA-N 401.418 5.165 0 40 HKAB biogenic Cc1cc(C)n2cc(-c3ccc(Cl)cc3)c(C(=O)Nc3ccc(Cl)cc3)c2n1 1388035 SSLMUJWJWRNZED-UHFFFAOYSA-N 410.304 6.177 0 40 HKAB Cc1cccc2c1NC(C)(C)c1ss/c(=N\c3ccc(Cl)cc3Cl)c1-2 2053553 SUUZKVLOJZIAHE-PYCFMQQDSA-N 407.391 6.985 0 40 HKAB CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 2069725 FEFMVLNRMJKDDX-UHFFFAOYSA-N 420.940 6.035 0 40 HKAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(OC)c(Cl)c2)cc1 2251671 UBLUZLICGQFNQY-UHFFFAOYSA-N 416.868 5.306 0 40 HKAB CCc1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1 2252800 RMKGMUUEJCTXSD-UHFFFAOYSA-N 406.533 6.496 0 40 HKAB Clc1cccc(-n2ncc3c2ncn2nc(-c4ccc(Cl)cc4Cl)nc32)c1 2345793 RGQOUYMWPZOHBD-UHFFFAOYSA-N 415.671 5.090 0 40 HKAB Cc1nc(N[C@@H](C)c2ccccc2)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 2443747 YZRPXKGDVWTESK-ZDUSSCGKSA-N 404.539 5.572 0 40 HKAB CC1(C)COC(CCCCC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC1 2518112 JCLMYOUKBFDWDG-UHFFFAOYSA-N 412.370 5.866 0 40 HKAB Cc1cc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c2ccccc2n1 2639306 KWJWBCYKZSYFTO-UHFFFAOYSA-N 423.683 5.299 0 40 HKAB O=C(c1ccc(C(F)(F)F)cc1)N(c1ccc(F)cc1)c1nc2ccccc2s1 3231111 LNXJOMPYXXOBHH-UHFFFAOYSA-N 416.399 6.433 0 40 HKAB CCn1c(SCc2c(C)cc(C(C)(C)C)cc2C)nnc1-c1ccc(Cl)cc1 3241849 GPYPAHNUWMPLCA-UHFFFAOYSA-N 414.018 6.825 0 40 HKAB O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1nc(-c2ccccc2Cl)cs1 3298970 ZRUBLBTZYXZFJI-JXMROGBWSA-N 406.841 5.717 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](N[C@@H]1CCCc2ccccc21)c1ccccc1 3323118 MMMCGYFIOQKTDP-RDGATRHJSA-N 400.522 5.351 0 40 HKAB Cn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccc(F)cc1 3350727 CTYMEAHUSSFZFK-UHFFFAOYSA-N 403.482 5.263 0 40 HKAB Cc1cc(C(=O)CSc2nc(-c3cccs3)n[nH]2)c(C)n1Cc1cccs1 3408179 DPHOETVKECHFMO-UHFFFAOYSA-N 414.581 5.036 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(-c2ccco2)nc2ccccc12 3450655 XYYVFBPECUHGHZ-UHFFFAOYSA-N 404.469 6.014 0 40 HKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 4109778 LVLCCKLNPJDWFU-OAHLLOKOSA-N 406.448 5.735 0 40 HKAB CCCCN(C(=O)OCCOC(=O)N(CCCC)c1ccccc1)c1ccccc1 4538605 STIXLPHGJUQNHJ-UHFFFAOYSA-N 412.530 5.873 0 40 HKAB Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c(C)c1 4548570 LBFJCTRRSPVIAF-UHFFFAOYSA-N 409.511 5.057 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC(C)C)cc2)cc1 4812443 YYEWOFWMPKYEEY-AZGAKELHSA-N 414.505 5.725 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5758817 YMMFNKXZULYSOQ-ZEQHCUNVSA-N 420.678 5.554 0 40 HKAB biogenic,in-vitro O=C(NCCc1ccccc1)c1cc2c([nH]c3ccccc32)c(CCc2ccccc2)n1 6111597 YFHNHDFNLOPJDJ-UHFFFAOYSA-N 419.528 5.474 0 40 HKAB biogenic CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)CC(C)C)c3)nc2c1 6243321 OAXYWIPEKUWLHB-HNNXBMFYSA-N 409.555 5.867 0 40 HKAB COC(=O)c1ccc(CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)o1 6314172 GJRJTXBGATUJLL-UHFFFAOYSA-N 412.898 5.410 0 40 HKAB COc1ccc(Cl)cc1N[C@H](c1ccccc1)c1nnc(-c2ccccc2F)o1 6825349 JRYPRDDFJLXOOC-HXUWFJFHSA-N 409.848 5.739 0 40 HKAB Cc1ccc(Cn2c(-c3cc(Cl)ccc3O)cs/c2=N\c2ccccc2)cc1 6841231 RELAQZLTPQLDDW-BZZOAKBMSA-N 406.938 6.165 0 40 HKAB COc1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1Br 6846838 CWZBCTOBIZLGKM-XVNBXDOJSA-N 401.087 5.416 0 40 HKAB COc1ccc(NC(=O)[C@H](Sc2nc(C)cs2)c2ccccc2)cc1Cl 7195523 YJCWQWCKDIVYLH-QGZVFWFLSA-N 404.944 5.586 0 40 HKAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1 7940022 LWUPFPVDGOMITL-UHFFFAOYSA-N 414.436 5.145 0 40 HKAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccccc1Cc1ccccc1 8061109 ZKCPHUJNNFSMQM-UHFFFAOYSA-N 418.949 6.236 0 40 HKAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccccc1-c1nc2ccccc2s1 8073210 RPFYBUOGIRFDTI-LJQANCHMSA-N 400.459 5.204 0 40 HKAB CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2ccccc21 8719759 YEXHVCYPGBVXCO-UHFFFAOYSA-N 414.745 5.747 0 40 HKAB CC[C@H](C)Oc1cccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1 8903718 VPAFBEXYXHQOMQ-AWEZNQCLSA-N 412.511 5.291 0 40 HKAB Cc1c(NC(=O)c2ccc(Br)o2)cccc1-c1nc2cccnc2s1 9252154 SAZVRUSOOJSRIU-UHFFFAOYSA-N 414.284 5.275 0 40 HKAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc(Cl)sc1Cl 9404673 AFXTZEITLPRVNQ-UHFFFAOYSA-N 412.319 5.822 0 40 HKAB COc1ccc2nc(O)c(CN(C(=O)c3cccc(Cl)c3)C3CCCCC3)cc2c1 9431112 RKOYOVRGKVPDBR-UHFFFAOYSA-N 424.928 5.578 0 40 HKAB Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(F)c2)n1 9488750 UOVVITBWULFROB-FQEVSTJZSA-N 420.827 5.039 0 40 HKAB COc1cc(NC(=O)c2ccc(C)cc2Cl)ccc1-c1cc2ccccc2oc1=O 10128914 OUERIDOGSAPJGL-UHFFFAOYSA-N 419.864 5.683 0 40 HKAB O=C(NCc1cc(-c2ccc(Cl)cc2)on1)C1(c2ccc(Cl)cc2)CCCC1 12636424 ROYMRMVJHVPYQO-UHFFFAOYSA-N 415.320 5.777 0 40 HKAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccccc1-c1nc2ccccc2s1 12756386 TUQCILGFDCQTHJ-UHFFFAOYSA-N 411.530 6.406 0 40 HKAB CC[C@@H](C)c1ccc(OCc2nnc(NC(=O)Nc3cccc(OC)c3)s2)cc1 13570383 WSDRDBHWIOKFSY-CQSZACIVSA-N 412.515 5.283 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 13942353 MHFRLLDCECBMIV-CCLHPLFOSA-N 422.528 5.868 0 40 HKAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccc2ncsc2c1 14673192 KTADGWLOUTZBCP-UHFFFAOYSA-N 403.294 5.100 0 40 HKAB Cc1ccc([C@]23Oc4ccccc4[C@H](c4ccc(F)cc4)[C@@]2(C)C3(Cl)Cl)cc1 15318861 WMVAPGMEZFZUIW-ZRBLBEILSA-N 413.319 6.748 0 40 HKAB COc1ccc(Nc2cc(C)nc3nc(C45CC6CC(CC(C6)C4)C5)nn23)cc1Cl 16283406 PVJKKXHFFOCFCI-UHFFFAOYSA-N 423.948 5.306 0 40 HKAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1 16806362 ZSWWEVSRKWXTNN-GOSISDBHSA-N 402.277 5.445 0 40 HKAB O=C(Cc1noc2ccccc12)Nc1nc(-c2cccs2)c(-c2cccs2)s1 19202074 YMPCPUDGBDILEJ-UHFFFAOYSA-N 423.544 5.923 0 40 HKAB C[C@@H](NCCc1ccc(Cl)cc1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 23882528 JUUMETXDVKVNKK-CQSZACIVSA-N 409.942 5.198 0 40 HKAB CCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 26121544 YLOKSMKUKUZVJK-UHFFFAOYSA-N 408.521 5.070 0 40 HKAB COc1cccc([C@H](CNC(=O)c2sc3ccccc3c2Cl)N2CCCC2)c1 27341029 QTOSHJUJXHLNQI-SFHVURJKSA-N 414.958 5.130 0 40 HKAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)/C=C/c1ccc(Cl)cc1 28303794 MMUAKKQQPBPPGI-DHZHZOJOSA-N 400.309 5.507 0 40 HKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCCc4cc(F)c(F)cc43)c12 31927730 TWYSUEGRJRJRPT-UHFFFAOYSA-N 405.404 5.069 0 40 HKAB O=C(CSc1ccc2ccccc2n1)N1N=C(c2ccco2)C[C@H]1c1cccs1 32671925 KRZWNFPRAWFMDK-SFHVURJKSA-N 419.531 5.359 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c1 33803827 KCUZOJBKAHLTFK-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CC(C)C[C@@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccccc1 38756905 NXBWPWNTPKZNOG-UWFGVWCKSA-N 403.953 6.784 0 40 HKAB COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c(OC)c1 57314140 FWEJQFUZAZGWHW-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB COc1ccc2oc(/C=C/C(=O)Nc3ncc(Cc4ccccc4F)s3)cc2c1 67339588 VNMCSWYAIGHGIO-VQHVLOKHSA-N 408.454 5.280 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H](C(=O)O)[C@@H]([C@@]3(C)CCCCC3=O)CC[C@]12C 85341240 CGYXDTVDPDQBGI-OUVATWEPSA-N 404.635 6.742 0 40 HKAB biogenic,in-vitro Cc1ccc(NC(=O)c2cc(-c3cnc(-c4cccnc4)nc3)cn2CC2CC2)cc1C 96037776 LDJYBVITDCNPHH-UHFFFAOYSA-N 423.520 5.286 0 40 HKAB FC(F)(F)c1cnc(Oc2ccccc2/N=c2\ssnc2Cl)c(Cl)c1 100323227 JDHVJSPITCXPQM-BKUYFWCQSA-N 424.256 5.950 0 40 HKAB CC(C)(C)c1[nH]c2ncccc2c1CN1[C@@H]2CC[C@@H]1CC(O)(c1ccccc1F)C2 100736515 NRSVGCNLNNHISB-IAGOWNOFSA-N 407.533 5.014 0 40 HKAB CC1(C)CC2=Nc3ccccc3N[C@@H](c3cccc(Oc4ccccc4)c3)C2=C(O)C1 102641470 HQMAWGAXXDWRIR-SANMLTNESA-N 410.517 7.350 0 40 HKAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1c(F)cccc1Cl 102928253 VIRKHRFGZCEVGZ-QFIPXVFZSA-N 412.892 6.292 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 216145091 WZZZABLUWZBJFH-HHHXNRCGSA-N 409.529 6.226 0 40 HKAB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccccc1OCc1ccccc1)CC(C)(C)O2 218987562 FKWMNVLYCCGWDD-QFIPXVFZSA-N 401.506 5.606 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219349944 UMVABLHHTTYSCU-XZOQPEGZSA-N 403.522 5.724 0 40 HKAB O=C(COc1cccc(Cl)c1)NCCSCc1c(Cl)cccc1Cl 222765584 GEANOQZFDQQURJ-UHFFFAOYSA-N 404.746 5.075 0 40 HKAB COc1cc2c(cc1S(=O)(=O)Nc1ccc(Oc3ccccc3)cc1)CCCC2 224736850 PMMCAUBPRHDUSW-UHFFFAOYSA-N 409.507 5.167 0 40 HKAB Cc1ccc(CSCCNC(=S)Nc2ccc(Br)cc2F)cc1 225293433 YOKYDLRYTHWKMV-UHFFFAOYSA-N 413.381 5.116 0 40 HKAB CC1CCN(CCOc2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)CC1 225503530 YKTVBBJXBHOMFL-UHFFFAOYSA-N 406.570 5.248 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)CSCc2ccc(Cl)cc2)c2ccccc2O1 225608634 XIOOJYRCIQBJMF-LJQANCHMSA-N 403.975 5.772 0 40 HKAB CC[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C)cc1C 225714947 JQLASAOUGBOYBA-QGZVFWFLSA-N 400.897 6.413 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c2ccccc12 225774329 NGGFMPIPDHZZPT-HXUWFJFHSA-N 417.549 6.012 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2ccccc12 225775584 ZBHSZURZQGCWQX-SFHVURJKSA-N 421.512 5.843 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)c2cccnc12 225868028 XPEOUTZZALBSPP-UHFFFAOYSA-N 420.528 6.393 0 40 HKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@H](C)CCc2ccccc2)cc1 408675655 KIMSCZGSEKOIAG-HXUWFJFHSA-N 410.517 5.235 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccccc2)c(C)c1 408697499 JWOSPDBOSQOLBF-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 409173070 LLPPECCTYCAAAZ-RBUKOAKNSA-N 418.562 5.605 0 40 HKAB Fc1cccc(COc2c(Cl)cc(CNc3ccccc3Cl)cc2Cl)c1 409180812 SDDWJBAIMNDIDR-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB Fc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 409193579 HCWXKJJDVUCWFG-UHFFFAOYSA-N 404.254 5.918 0 40 HKAB O=C1N/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 409206959 RQBQHOOMLPUMQE-KGENOOAVSA-N 418.880 5.012 0 40 HKAB CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccccc23)cc1 648217 FWJITWMUGUUHGC-UHFFFAOYSA-N 415.518 5.426 0 40 HKAB CC(=O)Oc1ccc2cc(-c3nc(-c4ccc(Cl)cc4)c(C)s3)c(=O)oc2c1 976507 JUUXXWYDDCEAQU-UHFFFAOYSA-N 411.866 5.471 0 40 HKAB CCc1cc(CN2CCC(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 1298660 XCGXGMICXDSFMX-UHFFFAOYSA-N 418.606 6.018 0 40 HKAB COc1c(Cl)ccc(Cl)c1C(=O)NC(=S)Nc1ccc(Cl)cc1Cl 1443794 WFSXIICIYVOGRA-UHFFFAOYSA-N 424.136 5.436 0 40 HKAB COc1ccc(-c2c(C)oc3cc(OCc4ccccc4F)ccc3c2=O)cc1OC 1463861 AIABOZVHORZBRV-UHFFFAOYSA-N 420.436 5.504 0 40 HKAB biogenic COc1cccc(-c2nc(Oc3cc(Cl)ccc3Cl)c3ccccc3n2)c1O 2228233 IZMGQIZHZWZFBY-UHFFFAOYSA-N 413.260 6.110 0 40 HKAB CC(C)(C)c1cc2oc3c(c2cc1OC(=O)c1ccc(-c2ccccc2)cc1)CCCC3 2278531 NMRUNOHPIYBVBS-UHFFFAOYSA-N 424.540 7.495 0 40 HKAB COC(=O)c1c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)sc(C)c1C 2745637 FHVOCPHCFJKUSM-UHFFFAOYSA-N 416.502 5.619 0 40 HKAB CC(C)c1ccc(-c2cc(C(=O)N3CCCC3)c3cc(Br)ccc3n2)cc1 2759922 XCVDKAZWTRXSLZ-UHFFFAOYSA-N 423.354 6.024 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(Oc2ccccc2)cc1 3257196 KXWJEUQHVYQICC-UHFFFAOYSA-N 422.843 6.487 0 40 HKAB Cc1cccc(Nc2nnc(SCC(=O)N[C@H]3CCCc4ccccc43)s2)c1C 3346028 KCWBDMXBKVGRPF-IBGZPJMESA-N 424.595 5.184 0 40 HKAB O=C(COC(=O)c1cccc(Cl)c1Cl)NC(c1ccccc1)c1ccccc1 3369586 CDSOTZISNZPUAE-UHFFFAOYSA-N 414.288 5.056 0 40 HKAB CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 3982453 KZJWDPNRJALLNS-KLPRJLMXSA-N 414.718 8.025 0 40 HKAB biogenic CCCCCCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)OC)cc1OC 4039452 ZSTQNCMKDNOMDE-FYWRMAATSA-N 411.498 5.093 0 40 HKAB S=C(Nc1cccc(Cl)c1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 4088107 BSFVCHGYDSELPN-IBGZPJMESA-N 402.350 5.597 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1Cc3ccccc3[C@@H]21 6277042 JLYGZQVAUKMGFP-SESVDKBCSA-N 409.407 5.875 0 40 HKAB COc1ccc(Nc2ccc3c(=O)c(-c4ccccc4OC)c(C)oc3c2)c(OC)c1 6671971 FZZSDFTUWUOBTF-UHFFFAOYSA-N 417.461 5.538 0 40 HKAB biogenic C=CCn1cc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)c2ccccc21 6960664 KXIASOBLSBRDPY-UDWIEESQSA-N 407.926 5.681 0 40 HKAB CC(C)Oc1ccc2ccccc2c1/C=C(\Sc1nc2ccccc2o1)C(=O)O 7603142 FKBICEBWXWRRKL-BKUYFWCQSA-N 405.475 5.986 0 40 HKAB CCOc1c(Cl)cc(C(=O)Nc2ccc(CC)cc2)cc1OCc1ccccc1 8200873 PBFZKJUUPBSOMA-UHFFFAOYSA-N 409.913 6.132 0 40 HKAB CCOc1ccc(-c2nc(NC(=O)c3ccccc3C(F)(F)F)sc2C)cc1 8324474 JPFPCRQARGBCLJ-UHFFFAOYSA-N 406.429 5.788 0 40 HKAB O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2Cl)n1CCc1ccccc1 8743330 IOZSFISHXVIWQK-ACCUITESSA-N 421.327 6.116 0 40 HKAB CC(=O)[C@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccccc1 8943357 HXMIHZOODMGHDO-FQEVSTJZSA-N 405.548 5.477 0 40 HKAB O=C1Nc2ccccc2/C1=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1 9296343 MEIFYAVYDJRNRA-WOJGMQOQSA-N 424.269 5.660 0 40 HKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)Cc1ccccc1 9518340 ZYFMQMNCBXQRKK-UHFFFAOYSA-N 414.461 5.265 0 40 HKAB COC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(C)cc2)[nH]c2ccccc12 10058908 JXFSPDRTHWDYGF-NSYGIPOTSA-N 424.500 5.250 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccccc2SCc2ccccc2)c1 10445746 QFMUZWCYFGPLRK-UHFFFAOYSA-N 405.519 5.716 0 40 HKAB COc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3cccnc3)C[C@@H]21 12196146 DWHXSYLAXCTONE-NZQKXSOJSA-N 403.507 5.054 0 40 HKAB O=C(CCNc1ccc(OCc2ccccc2)cc1)c1ccc(Br)cc1 12376537 KGRNITCXNPDLHB-UHFFFAOYSA-N 410.311 5.713 0 40 HKAB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3c(F)cccc3F)n2)cc1 12441893 WYUBOZCKBPDENM-UHFFFAOYSA-N 410.449 5.143 0 40 HKAB Cc1ccc2[nH]c(SCC(=O)c3cc(C)n(CCc4ccc(F)cc4)c3C)nc2c1 12587647 MUXPGAQXDJVOET-UHFFFAOYSA-N 421.541 5.646 0 40 HKAB CC(C)n1ncc2c(C(=O)N(C)Cc3cccc(F)c3)cc(-c3ccccc3)nc21 12754192 KEOBKZYQHXBVIO-UHFFFAOYSA-N 402.473 5.091 0 40 HKAB O=C(/C=C/c1ccccc1Br)N1CCC[C@H]1c1nc2ccccc2s1 12855468 QMIYUFGGSNSPKZ-FLVLSHQESA-N 413.340 5.436 0 40 HKAB O=C(N/C(=C\c1cccc(Br)c1)c1nc2ccccc2[nH]1)c1ccccc1 13590823 LXPFNVNPIYWCJT-ZHZULCJRSA-N 418.294 5.254 0 40 HKAB COc1ccccc1[C@@H](CCN(Cc1ccco1)C(=O)c1ccco1)c1ccccc1 13656377 ZGQRNZIICCJXGT-QFIPXVFZSA-N 415.489 5.746 0 40 HKAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccccc1-c1nc2ccccc2s1 14197339 OFWUJFGAZCWEGT-UHFFFAOYSA-N 411.486 5.029 0 40 HKAB COc1cc(OC)c(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cc1Cl 15192238 OOWCVWPMEPIKIC-UHFFFAOYSA-N 409.294 5.386 0 40 HKAB O=C(CSc1ncc(-c2cccc(Cl)c2)o1)Nc1ccccc1C(F)(F)F 16841035 ZKNJHPWRALMTDI-UHFFFAOYSA-N 412.820 5.745 0 40 HKAB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4C)c3)nc2c1 17090359 NIMSYLGEUCAINU-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB CC(C)c1ccc(OCc2cc([C@@H]3CCN(C(=O)CCc4ccccc4)C3)n[nH]2)cc1 19696262 FHHCZBCVAWRQJS-JOCHJYFZSA-N 417.553 5.061 0 40 HKAB Cc1cccc(CSCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)c1 20106852 JHTUPDOQCBJHNL-UHFFFAOYSA-N 416.590 5.221 0 40 HKAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(-c2nc3ccccc3o2)cc1 22968128 KNJBSTDOSPOGTF-UHFFFAOYSA-N 401.447 5.393 0 40 HKAB COc1ccc([C@H]2CCCCCN2C(=O)c2sc(-c3ccccn3)nc2C)cc1 24393513 TXVLAQVUFFIDHQ-HXUWFJFHSA-N 407.539 5.280 0 40 HKAB CCCCN(CC)c1nc(Nc2ccc(C)cc2)c2cnn(-c3ccccc3)c2n1 28406132 OJOMRWCAYDTUKY-UHFFFAOYSA-N 400.530 5.494 0 40 HKAB Fc1cc(Br)ccc1CSc1nnc(Cc2cccs2)n1C1CC1 39978726 SRHXLNCIGUNVTM-UHFFFAOYSA-N 424.364 5.459 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N(Cc1ccco1)c1ccc(C)cc1 39994092 YCSQPQGHFYOTCW-XMMPIXPASA-N 400.478 5.085 0 40 HKAB CN(C(=O)C1CC1)c1ccccc1C(=O)NCCC(c1ccccc1)c1ccccc1 40143518 RMHACORGHVTGFS-UHFFFAOYSA-N 412.533 5.011 0 40 HKAB COc1ccc(C)cc1-c1csc(NC(=O)c2c(C)oc(C)c2Br)n1 48366950 PFHZNAWMHDNYJS-UHFFFAOYSA-N 421.316 5.352 0 40 HKAB O=C1CN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c2ccccc2N1 57390742 VPKYNTONVYPZJZ-UHFFFAOYSA-N 408.910 5.231 0 40 HKAB FC(F)(F)c1cccc(NC(=S)N2CCC(c3nc4ccccc4o3)CC2)c1 57813337 XXOHCDZZLWLDBZ-UHFFFAOYSA-N 405.445 5.423 0 40 HKAB Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(N(C)C)cc2)cc1 67259055 OVWHLMILVMHLKD-UHFFFAOYSA-N 401.535 5.052 0 40 HKAB CC(C)c1ccc(NC(=O)CSc2nccn3nc(-c4cccs4)cc23)cc1 67290088 OBAXNUPRXTXEOD-UHFFFAOYSA-N 408.552 5.312 0 40 HKAB Nc1c(Br)cc2nc(-c3cccc(Cl)c3)oc2c1Br 70461359 KKWUTQKZBVGLMH-UHFFFAOYSA-N 402.473 5.255 0 40 HKAB O=c1c(Cl)c(Cl)cnn1-c1ccc(N[C@H]2C[C@@H]2c2cccc(F)c2)c(Cl)c1 72274779 QZVRPQJILFWEAO-DYVFJYSZSA-N 424.690 5.300 0 40 HKAB C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 78817070 KWVISVAMQJWJSZ-HOFADDDFSA-N 413.646 5.287 0 40 HKAB in-man COc1cccc([C@H]2N=C(Nc3nc4ccccc4o3)N=C3CC(C)(C)CC(O)=C32)c1 102660890 IPYVNGHDACDOBX-OAQYLSRUSA-N 416.481 5.432 0 40 HKAB Fc1ccc(NCc2cc(Br)ccc2OCc2ccccc2)cc1Cl 107043309 IZZHOUFFWFFLKR-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB Cc1cc(NC(=S)NCc2ccc(Cl)cc2Cl)ccc1Br 107144446 XLPNSJXGSJNIIW-UHFFFAOYSA-N 404.160 5.551 0 40 HKAB CCCCCCCCCCCC(=O)O[C@@H](C(C)C)[C@H](OC(=O)C(C)C)C(=O)O 205511068 FLVBOVQKMCPBFE-PMACEKPBSA-N 400.556 5.128 0 40 HKAB biogenic,in-vitro O=C(COc1cccc2ccccc12)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 218910692 IWWDYRNGCPMELT-UHFFFAOYSA-N 411.545 6.325 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 219338915 HROWKVOPFUOBGW-FGZHOGPDSA-N 403.522 5.724 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)Cc2ccc(OC)c(C)c2)cc1 223540408 NAEAPVFCIHJDNE-UHFFFAOYSA-N 411.885 5.639 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccccc1OC 224247734 AOHYOLSFPCJJIX-IBGZPJMESA-N 419.521 5.034 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccc2ccccc2c1 224311223 CIZPPEBCUURYSW-UHFFFAOYSA-N 411.501 6.297 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 224342261 PMTNZYJREUSDQE-UHFFFAOYSA-N 419.590 6.673 0 40 HKAB CCC[C@@H](C)NC(=O)c1ccc(OCC)c(COc2ccc(-c3ccccc3)cc2)c1 224559335 FFDNSOPAYWIXHB-HXUWFJFHSA-N 417.549 6.250 0 40 HKAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccc(C)c(C)c1 224618246 XIWMXGISCZPECK-UHFFFAOYSA-N 423.940 5.865 0 40 HKAB CC(C)CCNC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224955545 SIVXLOXWMCXMBY-UHFFFAOYSA-N 413.315 5.547 0 40 HKAB CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225591059 PLWUFUPMCCAEAI-INIZCTEOSA-N 402.941 5.131 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(C)cc2C)c1 225675609 USFXCDDBWUFEBG-IQJJTXKVSA-N 418.562 5.322 0 40 HKAB CCc1s/c(=N\C(=O)c2cccc(C)c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408560161 CGYIVULWAJMJJE-FLFQWRMESA-N 419.377 6.155 0 40 HKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1 408581530 XQODMXNXRMKYRA-UHFFFAOYSA-N 414.530 6.726 0 40 HKAB CCCc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccc(Cl)cc1Cl 408833343 JKGLSNHZDDOBBO-UHFFFAOYSA-N 405.350 6.630 0 40 HKAB O=C(Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)NC1CCCCC1 408980455 WQPLIUOSXPKGNP-UHFFFAOYSA-N 400.486 5.074 0 40 HKAB Cc1cccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c1C 409114864 QSHLTXODRXLVCG-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB O=S(=O)(Oc1ccc(CNc2ccc(Cl)cc2)cc1Cl)c1ccccc1 409182245 JVONBWPNYABHAH-UHFFFAOYSA-N 408.306 5.373 0 40 HKAB CC[C@H](C)[C@H](NC(=O)C[C@@H](c1ccsc1)n1cccc1)c1nc2ccccc2[nH]1 524735458 DBCIAKGZKPKXDM-BUKVSMQUSA-N 406.555 5.309 0 40 HKAB COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccccc2Cl)c1 646246 PJKGILXNDCNCCX-UHFFFAOYSA-N 421.802 6.412 0 40 HKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccccc1 888228 KFCKTCHCBFRHIS-UHFFFAOYSA-N 420.925 5.319 0 40 HKAB COc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccc(C)cc3)c2c1 976935 ALCGNNZPMGLUPD-UHFFFAOYSA-N 415.518 5.345 0 40 HKAB Cc1cc2cc(C)c3nnc(SCC(=O)Nc4ccccc4Cl)n3c2cc1C 1223227 CZXAEEHUOQTZQD-UHFFFAOYSA-N 410.930 5.192 0 40 HKAB Cc1nc(-c2ccc(Cl)cc2)sc1CNC(=O)c1ccc(C(F)(F)F)cc1 1390500 LWNQJJHYEKWDGX-UHFFFAOYSA-N 410.848 5.721 0 40 HKAB CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)/C=C/c1ccco1 2063133 JPJPHRSQMHWGHC-MIFWMJNYSA-N 405.925 6.468 0 40 HKAB COc1ccc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1OCc1ccccc1C 2082213 IXZRYZQEUORCTQ-HYARGMPZSA-N 413.473 5.236 0 40 HKAB COc1cccc(CSc2nnc(COc3ccc(C)cc3)n2Cc2ccco2)c1 2226817 WIAIQPVTGYLKNY-UHFFFAOYSA-N 421.522 5.108 0 40 HKAB Cc1cccc(/C=C/C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c1 2288571 JPJPHZPNLBXNRR-CMDGGOBGSA-N 402.441 5.713 0 40 HKAB CC1(C)[C@H]2CC[C@]1(C)[C@@H](OCCN(C(=S)Nc1ccccc1)C1CCCCC1)C2 2289292 WXKBIDBDHLMSPC-KIVTUJJHSA-N 414.659 6.250 0 40 HKAB Cn1c(NC(=O)c2ccccc2F)c(-c2ccccc2Cl)c(=O)c2ccccc21 2436017 BLZDAFASKPBPOY-UHFFFAOYSA-N 406.844 5.250 0 40 HKAB CC(=O)N(CC[C@@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)Cc1ccco1 2444369 JCJKXYSDLBOZQP-QHCPKHFHSA-N 403.950 5.490 0 40 HKAB Cc1csc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)n1 2620594 URQLTMDNUYNNRB-UHFFFAOYSA-N 402.932 5.125 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)c3cccc(Cl)c3n2)cc1C 3017058 HQCBEWAHNCTPCH-UHFFFAOYSA-N 421.327 7.078 0 40 HKAB O=C(CCCSc1nnc(-c2ccccc2)o1)c1ccc(Br)cc1 3316610 BRHVDEWOIUEWAN-UHFFFAOYSA-N 403.301 5.254 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@]4(O)[C@@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4293031 UJDBZVSBLYRMDU-VFXNRHIGSA-N 418.706 6.830 0 40 HKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 4576190 HRWWWPVVAAKEBH-OAHLLOKOSA-N 416.974 5.522 0 40 HKAB Cc1c(C(c2[nH]c3ccccc3c2C)c2[nH]c3ccccc3c2C)[nH]c2ccccc12 4896033 QBMNQDIFIOJXED-UHFFFAOYSA-N 403.529 7.236 0 40 HKAB Cc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)cc1 5814480 NOYAUICXHMVVLR-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB O=C(OCc1cccc2ccccc12)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 6082976 IGIPQSYPBXUYMC-SFTDATJTSA-N 401.531 6.467 0 40 HKAB Cc1cc(C)c(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c(C)c1 6255230 JEYGCTOAKNCEFY-UHFFFAOYSA-N 400.909 6.733 0 40 HKAB CCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1 6429277 WKUIYKJZVJBSSX-HKWRFOASSA-N 413.564 5.670 0 40 HKAB COc1ccc(-c2c(C)noc2-c2ccc(OCc3cc(C)ccc3C)cc2O)cc1 6670191 ZDGLBUAGPLRKHJ-UHFFFAOYSA-N 415.489 6.227 0 40 HKAB biogenic COc1ccccc1-c1c(-c2ccc(OCc3ccc(F)cc3)cc2O)n[nH]c1C 6733527 XMOCCNUQGRASAN-UHFFFAOYSA-N 404.441 5.484 0 40 HKAB O=C(Cc1coc2ccc3ccccc3c12)Nc1cc(Cl)ccc1N1CCOCC1 8393399 AABUCGQNMJLGMK-UHFFFAOYSA-N 420.896 5.257 0 40 HKAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1N(c1ccccc1)c1ccccc1 8916767 MKCCCDPJWVDPGM-KDYSTLNUSA-N 404.513 6.741 0 40 HKAB COc1ccc(CN(Cc2ccco2)C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 9204900 UXXJWVFUQCKELC-QGZVFWFLSA-N 413.901 5.246 0 40 HKAB Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccs2)c1C 9303513 IUFDQWVWGGECGP-UHFFFAOYSA-N 402.519 5.362 0 40 HKAB COc1ccc([S@@](=O)CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 12952320 JTTKQISEOQQVHR-HHHXNRCGSA-N 421.345 5.046 0 40 HKAB CCC(=O)N(c1nnc(SCc2ccccc2Oc2ccccc2)s1)C1CC1 12979659 FRVIHNUBSRKKPX-UHFFFAOYSA-N 411.552 5.528 0 40 HKAB Cc1noc2nc(-c3ccc(Cl)cc3)cc(C(=O)N(C)[C@@H](C)CCc3ccco3)c12 13642017 VGFHEFBCWLSEBO-AWEZNQCLSA-N 423.900 5.538 0 40 HKAB COc1ccc(CN(Cc2csc(N(C(C)=O)c3ccccc3)n2)C2CC2)cc1 14066628 BDJHAAUQEORVAI-UHFFFAOYSA-N 407.539 5.001 0 40 HKAB Cc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccc4Cl)ccc3c2C)cc1 15729366 RAQKANZCYLUDDN-UHFFFAOYSA-N 403.865 6.186 0 40 HKAB biogenic Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1Oc1ccccc1 16491958 IZLNNHBPNSTWLW-UHFFFAOYSA-N 406.460 7.342 0 40 HKAB Fc1ccc(COc2ccc3ccccc3c2CNCCc2c[nH]c3ccccc23)cc1 16525926 BMAVJCNOCPXROP-UHFFFAOYSA-N 424.519 6.372 0 40 HKAB CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1 19081737 YSGHOMVLHJUMCA-UNMCSNQZSA-N 413.993 5.383 0 40 HKAB CCCCCCOc1ccccc1CNc1ccccc1OCCCc1ccccc1 19738458 RJLMLIKHWQQOLG-UHFFFAOYSA-N 417.593 7.269 0 40 HKAB Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(Cl)c1 19799485 QUTKLCHBILOMTQ-UHFFFAOYSA-N 404.168 5.618 0 40 HKAB Cc1ccc(Cn2nc(C)c(NC(=O)C(c3ccccc3)c3ccccc3)c2C)cc1 21574013 RAFSUAMCKUIKLO-UHFFFAOYSA-N 409.533 5.627 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3o2)c1 21579496 ZMZZNLZBXAKELX-UHFFFAOYSA-N 408.841 5.174 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)CSc1ccc(Cl)cc1 21580548 LUKKWMGLRXAGBQ-UHFFFAOYSA-N 423.925 5.623 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccc(Cl)cc1 22515401 JUXQTDQUCFVGBV-QFIPXVFZSA-N 413.970 5.700 0 40 HKAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1c[nH]c2ccccc12 24503767 KBGYPLHZXAUKTB-GOSISDBHSA-N 411.505 5.182 0 40 HKAB CN(Cn1nc(-c2cccs2)n(C2CC2)c1=S)C1C2CC3CC(C2)CC1C3 24657515 XUUHIMJFJDKGQZ-UHFFFAOYSA-N 400.617 5.191 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)c(Cl)c1 30850564 MYONFLOGWFPYKB-UHFFFAOYSA-N 407.897 5.554 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 35289593 NKCCLYVCNLQHGD-JOCHJYFZSA-N 419.912 5.642 0 40 HKAB CCOc1c(Br)cc(CNc2cccc(C)c2C)cc1Br 37215612 CISDWZNZDGJIPY-UHFFFAOYSA-N 413.153 5.839 0 40 HKAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1 39759741 JWKHFKMBCWMZOG-UHFFFAOYSA-N 400.522 5.638 0 40 HKAB COc1ccc2nc(C)cc(NCCSc3cc(C)nc4ccc(OC)cc34)c2c1 41105093 ITCHHJBNZHJQHR-UHFFFAOYSA-N 419.550 5.621 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 46078702 ITUKYAXBPOYLOQ-UHFFFAOYSA-N 414.505 5.239 0 40 HKAB CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C)cc2)cc1 59483204 HSDBXTNEYSPMHI-VWLOTQADSA-N 400.522 6.335 0 40 HKAB O=c1c2sccc2nc(SCc2cc(F)ccc2F)n1CCc1ccccc1 71327598 UJOTYWDEFFZWMY-UHFFFAOYSA-N 414.502 5.271 0 40 HKAB FC(F)(F)Oc1cccc(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 71760921 PSGHVPJCPZBDIH-UHFFFAOYSA-N 414.758 6.066 0 40 HKAB Cc1cccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccc(F)cc5)cn34)n2)c1 96038136 HJKYGOICYFFHTH-UHFFFAOYSA-N 410.452 5.492 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1ccc2ccccc2c1 219031309 PJEPZMRBACQFQZ-AOMKIAJQSA-N 405.494 5.034 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccccc1OC 224578904 RIAAOWAKIMWMFA-UHFFFAOYSA-N 423.534 5.647 0 40 HKAB COc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1Cl 224994033 QEIPIHXJYLGHRG-UHFFFAOYSA-N 404.746 5.319 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCc1cccc(OC(C)C)c1 225044292 ATNPIVOUVMPSPT-VWLOTQADSA-N 409.570 5.259 0 40 HKAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225269183 ZFVFOYGEJAMQSK-MRXNPFEDSA-N 403.913 5.634 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 225622380 OXNVTIXMMJPXRJ-PZJWPPBQSA-N 418.002 6.410 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)cc1C 225669743 SDXLEUHZKWFGDC-UHFFFAOYSA-N 411.885 6.100 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(Br)cc1 225677273 MFPKQDOGBMIPFW-MRXNPFEDSA-N 405.361 5.346 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c(C)c1 225679369 JWXDSMUPYJWQJA-LJQANCHMSA-N 412.555 5.069 0 40 HKAB Cc1ccccc1C1(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)CCCC1 225854467 JKNIACMCIGSDSW-UHFFFAOYSA-N 412.908 6.423 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(OC)cc3)n2)cc1 408697152 FGXPNXJCKSHEPU-UHFFFAOYSA-N 412.493 5.066 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(C)cc2)cc1 408698579 OFCCPXFIMKZUSJ-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2cc(C)ccc2C)c1 408699669 YLTGQQDMGYBWGG-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccccc2)cc1 408699890 WTMPIFHYGAVNPV-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1cc(Br)ccc1NCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 408726048 PDCXEZSLZRGMPT-CXUHLZMHSA-N 421.291 5.003 0 40 HKAB O=C(Nc1ccccc1Cl)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408772056 AIBGXEWBINWNEN-QHCPKHFHSA-N 422.937 5.367 0 40 HKAB CC[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc(Br)cc2)C1=O 409020984 WOKBLWZQHUQVRZ-JASJWYONSA-N 405.317 5.075 0 40 HKAB COc1ccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1 409114020 KELOYNXRMQYHRE-UHFFFAOYSA-N 401.865 5.687 0 40 HKAB CCc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 409137478 XPVHIVQASIEQJV-UHFFFAOYSA-N 416.348 6.756 0 40 HKAB c1ccc(-c2nc(Cc3nc(-c4ccccc4)n4ccccc34)c3ccccn23)cc1 724042 CEZVZBKQMYEUMS-UHFFFAOYSA-N 400.485 5.907 0 40 HKAB COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1Br 724156 GKEORNOHCCFZQJ-UHFFFAOYSA-N 423.266 5.518 0 40 HKAB CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc(F)cc2)c2ccccc2)C[C@@H]1C 822404 YIFLLWSQXZMQJA-BXKMTCNYSA-N 402.469 5.359 0 40 HKAB CCN(CC)c1ccc(NC(=O)CSc2ncnc3sc(C)c(C)c23)cc1C 928941 YFFRXMLOYGAMMO-UHFFFAOYSA-N 414.600 5.194 0 40 HKAB COc1ccc(-c2cc3nc(C)cc(NCc4cccc(C(F)(F)F)c4)n3n2)cc1 1340743 MVXQXFDXTWQATM-UHFFFAOYSA-N 412.415 5.344 0 40 HKAB CCCOc1ccc(-c2csc(NC(=O)COc3ccccc3C(C)(C)C)n2)cc1 1916382 OXVBKIRHSSSPFY-UHFFFAOYSA-N 424.566 5.914 0 40 HKAB CCN(CC)CC[C@@H](CNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1 2042882 DSMFZNJRJXGJSS-SFHVURJKSA-N 416.396 6.469 0 40 HKAB CCCCCCc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)cc1 2066285 JLXIQRKHMOMLFT-CLCOLTQESA-N 416.521 5.812 0 40 HKAB Fc1cccc(Cl)c1Cc1nn2c(-c3cccc(C(F)(F)F)c3)nnc2s1 2182941 XXKNUISHARIIAI-UHFFFAOYSA-N 412.799 5.255 0 40 HKAB Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c(C)c1 2951237 WTUNDJJDMNPRMX-GFMRDNFCSA-N 409.898 5.644 0 40 HKAB O=C(O)c1ccc(NC(=O)c2ccc3nc(-c4ccc(Cl)cc4)sc3c2)cc1 3066784 IMXAUMOEYADIJG-UHFFFAOYSA-N 408.866 5.567 0 40 HKAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2sc3ccccc3c2Cl)cc1 3234465 ZASCCNSNVYDZLF-UHFFFAOYSA-N 401.915 5.648 0 40 HKAB Cc1ccc2c(CSc3nnc(COc4ccccc4Cl)o3)cc(=O)oc2c1 3299181 WLDQXHFDVRIAJQ-UHFFFAOYSA-N 414.870 5.009 0 40 HKAB COc1ccc([C@H]2NCCc3c2[nH]c2ccccc32)cc1COc1cccc(C)c1C 4043564 WBAACEJLSDGPQG-AREMUKBSSA-N 412.533 5.607 0 40 HKAB biogenic Cc1ccc(C(=O)Nc2sc3c(c2C(=O)c2ccc(Cl)cc2)CCCC3)cc1 4129681 FSHCMCASYMFPFL-UHFFFAOYSA-N 409.938 6.072 0 40 HKAB COc1cccc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1cccs1 4174187 FCXTZKKSJPFTBA-SELVFMLMSA-N 411.611 6.030 0 40 HKAB Cc1cc(C)c2cc(C)c(SCC(=O)Nc3ccccc3N3CCCCC3)nc2c1 4215264 NXYZDLOQANIKAQ-UHFFFAOYSA-N 419.594 5.881 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4293024 MHYKVQQPBSKDET-OBHAUZCKSA-N 418.706 6.830 0 40 HKAB O=C(c1ccccc1)[C@H]1[C@H](c2ccc(Cl)cc2)[C@]12C(=O)c1cccc3cccc2c13 4671060 TUYCVRTUFAKYRA-XFAFFCHDSA-N 408.884 6.224 0 40 HKAB Cc1ccc(C(=O)[C@@H](Sc2nnc(-c3ccoc3C)n2C)c2ccc(C)cc2)cc1 4947681 WNVPVDVTDWHVJJ-QFIPXVFZSA-N 417.534 5.717 0 40 HKAB COc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccccc23)cc1OC 4970306 LELGHSMEGWSYSB-UHFFFAOYSA-N 409.489 5.875 0 40 HKAB Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3C/C=C\c3ccccc3)CC2=O)c1 5235925 CIEFLHQSSQOJIJ-HHMVEJHFSA-N 421.544 5.887 0 40 HKAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1nnc(-c2cccs2)o1 5565475 YRLHORDCJRAIQK-LLVKDONJSA-N 415.569 5.230 0 40 HKAB CCOc1cc(C(=O)Nc2ccc3ccccc3c2)cc(Br)c1OC 6155364 PXAQCIKCDRGRBV-UHFFFAOYSA-N 400.272 5.262 0 40 HKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cccc2c(Cl)cccc12 6266314 ZPVKQLHHTLGVNU-UHFFFAOYSA-N 413.864 6.257 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1 6391671 SZKUYTMBLGOUSF-QGZVFWFLSA-N 413.521 6.069 0 40 HKAB CCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2OC)c1 6596042 YRXNWNRMMKSTAH-UHFFFAOYSA-N 416.477 5.771 0 40 HKAB S=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1 6615124 ULAJKUCLQXRKNA-UHFFFAOYSA-N 400.762 5.166 0 40 HKAB COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C 7971426 CMOSROHARFJXBT-UHFFFAOYSA-N 416.477 5.593 0 40 HKAB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)cc1C 8412810 CKGVRKJVPUGCIS-NDENLUEZSA-N 408.910 6.108 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)cc1 8959971 ZWMYKORRJNVLHP-UHFFFAOYSA-N 424.541 5.135 0 40 HKAB Clc1ccc2nc(SCc3ccc(I)cc3)[nH]c2c1 9204975 MXXWZLVZHWALEF-UHFFFAOYSA-N 400.672 5.113 0 40 HKAB C[C@@H](NC(=O)c1ccccc1I)c1ccc(C(C)(C)C)cc1 10111800 YXDHLIYVKMBZSG-CYBMUJFWSA-N 407.295 5.080 0 40 HKAB CCN(CC)C(=O)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 10359332 WSNNHDXULTUODA-UHFFFAOYSA-N 418.562 5.713 0 40 HKAB c1ccc(-c2nnc(CSc3nc(C4CCCCC4)n(-c4ccccc4)n3)o2)cc1 12595776 WBSFEMLJJGZBAD-UHFFFAOYSA-N 417.538 5.657 0 40 HKAB Cc1ccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)N1C[C@@H](C)C[C@@H](C)C1 12820984 HJHLKHVJUPOYPS-TVFCKZIOSA-N 400.567 5.015 0 40 HKAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCc2sccc2[C@H]1c1cccs1 12936807 IOAJYVJKJBUENY-QHCPKHFHSA-N 419.575 5.102 0 40 HKAB CC(C)CCOc1ccc(/C=C/c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1 13042426 FMAVHVIBWCGQRZ-JLHYYAGUSA-N 408.567 5.849 0 40 HKAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccc(COC(C)=O)o3)no2)cc1 19023021 CFGYIASOKKSNEX-QHCPKHFHSA-N 424.497 5.124 0 40 HKAB COCc1c(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)noc1C 19718596 RXDIUPQOMJZUQO-UHFFFAOYSA-N 413.886 5.312 0 40 HKAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 24049448 AROACWUPQJEBPX-UHFFFAOYSA-N 416.502 5.356 0 40 HKAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1c[nH]c2ccccc12 24503772 KBGYPLHZXAUKTB-SFHVURJKSA-N 411.505 5.182 0 40 HKAB Cc1cccc(NC(=O)CSc2ccc(-c3ccccn3)n2-n2cccc2)c1C 27753642 IOMJAXWISLBCNL-UHFFFAOYSA-N 402.523 5.011 0 40 HKAB CCOc1c(Cl)cc(C(=O)N(Cc2ccco2)c2ccc(Cl)cc2)cc1Cl 27795290 CRMMBSCBVMOZFY-UHFFFAOYSA-N 424.711 6.486 0 40 HKAB O=c1cc(N2CCOCC2)[nH]c2c(-c3cccc4c3sc3ccccc34)cccc12 34805093 XKKWDDMFTXIFKG-UHFFFAOYSA-N 412.514 5.400 0 40 HKAB Cc1cc(C(=O)Nc2cc(Cl)ccc2C)c2c(C)nn(-c3ccc(F)cc3)c2n1 36616784 RQBAKFALUMBHMM-UHFFFAOYSA-N 408.864 5.391 0 40 HKAB CCc1ccc(C(=O)C[C@@H](C(C)C)[C@H](C=C(C)C)C(=O)c2ccc(CC)cc2)cc1 39379243 AVPTTZVZGLVZKB-UIOOFZCWSA-N 404.594 7.122 0 40 HKAB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1CNCCc1ccc(Cl)cc1 39979579 GMWPOSBNHMJWRU-UHFFFAOYSA-N 408.760 5.532 0 40 HKAB CC(C)c1c(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cnn1-c1ccccn1 40088855 BNQJYKDBIGAHMK-KRWDZBQOSA-N 412.946 5.011 0 40 HKAB Cc1ccc(-c2nnc(-c3nc(-c4ccccc4)oc3N3CCCCC3)s2)cc1 41154394 WRFJOEZRTQIBPS-UHFFFAOYSA-N 402.523 5.826 0 40 HKAB O=C(Nc1ccccc1F)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078783 VDWSPUSHRDHVCE-UHFFFAOYSA-N 408.860 5.324 0 40 HKAB Cc1cccc(C)c1NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 57486689 QDSPFPMJZZLKJI-UHFFFAOYSA-N 406.873 5.114 0 40 HKAB CCOc1ccccc1OCC(=O)N(C1CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 58700917 IGGNLUZIFFOILT-HNNXBMFYSA-N 407.432 5.235 0 40 HKAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1sc(-c2ccc(C)cc2C)nc1C 60351808 OOSVGBILFLBFGQ-UHFFFAOYSA-N 415.465 5.224 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(SC(C)(C)C)nc2)cc1 72217399 ZOYIKILGRUYVQC-LJQANCHMSA-N 404.601 5.197 0 40 HKAB CCN(Cc1ccccc1)c1c(C(=O)N2CCCCC2)cnc2ccc(Cl)cc12 72328384 ITZZPGOZWHFJDZ-UHFFFAOYSA-N 407.945 5.541 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 82194027 NWQBDOPDVUJEGJ-ZEQHCUNVSA-N 404.679 6.439 0 40 HKAB COc1cccc(NC(=O)c2ccnn2-c2ccc3ccc(-c4ccccc4)cn23)c1 96155238 HAVUBGLHUYAUNP-UHFFFAOYSA-N 408.461 5.053 0 40 HKAB COC(=O)c1c(C)[nH]c(-c2ccccc2Cl)c1[C@@H]1C(=O)Nc2c(Cl)cccc21 101624169 NOPNTKBBQXQAPO-MRXNPFEDSA-N 415.276 5.168 0 40 HKAB CCOc1ccc(N2C(=O)/C(=C/Nc3c(F)cccc3F)c3ccccc3C2=O)cc1 103005182 CJFLRLPAPLTAPC-XMHGGMMESA-N 420.415 5.004 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](CO)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118930474 TYTUMJNHSUQBGY-IDHHGYRTSA-N 418.706 6.687 0 40 HKAB Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 222824213 QNJUNFOAXIYBML-RTWAWAEBSA-N 409.580 5.515 0 40 HKAB CCSc1nnc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)s1 224599281 RVFOEHKEYVZACM-UHFFFAOYSA-N 405.932 5.135 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NCCCc2ccc(Cl)cc2)cc1Cl 225545000 ZKPAOYYBAYJGNN-UHFFFAOYSA-N 411.354 5.089 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OC(C)C)c4ncccc34)CCOCC2)c1 225873478 FAUFPSCQEJKZDY-UHFFFAOYSA-N 404.510 5.017 0 40 HKAB CCc1s/c(=N\C(=O)c2cc(OC)cc(OC)c2)n(CC)c1-c1ccc(C)c(C)c1 408562520 QNTOSLFQQQOARG-IZHYLOQSSA-N 424.566 5.174 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1nc(-c2ccc3ccccc3c2)cs1 408571342 AIPQUAPXIKFMOW-FYWRMAATSA-N 422.509 6.875 0 40 HKAB Cc1ccc(CNC(=S)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 408574284 LMOMBRWPOKIIRF-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB Cc1sc2nc(-c3cn(Cc4ccc(F)cc4)c4ccccc34)nc(O)c2c1C 408734499 HCTORHWMBITRFA-UHFFFAOYSA-N 403.482 5.823 0 40 HKAB COc1ccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)cc1 409111262 BTQQTAIRZOHULR-UHFFFAOYSA-N 416.290 5.788 0 40 HKAB CC(C)Cn1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 409135971 VKKRCFPLOVSOCY-JAIQZWGSSA-N 410.926 6.192 0 40 HKAB CCCN1C(=O)S/C(=C\c2cn(Cc3ccccc3F)c3c(CC)cccc23)C1=O 409136589 XPZMMTUBCVSPSA-BKUYFWCQSA-N 422.525 5.837 0 40 HKAB COc1cc(CNc2ccc(C)cc2C)ccc1OCC(=O)Nc1cccc(C)c1 409265320 HLKLONSQVJJEOM-UHFFFAOYSA-N 404.510 5.250 0 40 HKAB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(C)C 409356263 FYXDVPFEYHHBER-VXLYETTFSA-N 417.914 5.624 0 40 HKAB CC(C)(C)[C@H]1COC(c2cccc3c2oc2c(C4=N[C@@H](C(C)(C)C)CO4)cccc23)=N1 1857775572 ZNOKFCCBAVCIIJ-WOJBJXKFSA-N 418.537 5.969 0 40 HKAB Cc1ccc(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c(C)c1 728156 ARKCEZWOBWBMPC-GOSISDBHSA-N 413.348 6.191 0 40 HKAB CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2)nnc1-c1cccc(C)c1 917269 CSZCRJILNSKUDC-CQSZACIVSA-N 400.935 5.046 0 40 HKAB O=C(CSc1nc2ccccc2cc1Cc1ccccc1)NCc1cccs1 1339892 LSDUQYKPXYQZQS-UHFFFAOYSA-N 404.560 5.296 0 40 HKAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)OCc4ccccc4)c23)C1 1377284 LUGABRRMNHNPHZ-AWEZNQCLSA-N 424.591 5.529 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4C)c3)oc2c1 1413884 MIYCNIBOGATZOQ-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB CCOC(=O)Nc1ccc([C@H]2SCCN2C(=O)Nc2ccc(Cl)cc2)cc1 1589303 CVLYCSIGZJKOAV-QGZVFWFLSA-N 405.907 5.188 0 40 HKAB biogenic COc1ccccc1[C@@H](CCNCc1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 1766197 FKTHLJZZSTWDLH-DEOSSOPVSA-N 423.984 6.448 0 40 HKAB biogenic COc1ccccc1C(=O)Oc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1 1770871 LHJCOHFESRJMHI-UHFFFAOYSA-N 406.821 5.341 0 40 HKAB biogenic CC1=C[C@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]1[C@@H]2C 2116113 FSFRMGYTTNBARV-CHRLLVKBSA-N 420.505 5.178 0 40 HKAB biogenic CCCCCCSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCC4 2341543 CFASJWBPXQTKTN-UHFFFAOYSA-N 408.596 6.167 0 40 HKAB COc1ccccc1C(=O)NCCSc1c(-c2ccccc2)[nH]c2ccccc12 2721142 GZKISWBFBKJROS-UHFFFAOYSA-N 402.519 5.366 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc2ccc(Cl)cc2s1 2737772 GIWBWSMZRPWXHR-MRVPVSSYSA-N 401.702 5.663 0 40 HKAB O=C(CSc1nc2ccccc2o1)Nc1cc(Cl)ccc1C(=O)c1ccccc1 2806467 YDFXOSYSKTXLRA-UHFFFAOYSA-N 422.893 5.443 0 40 HKAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1 3345086 DPAVGWIQYSXOPS-UHFFFAOYSA-N 420.534 5.530 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3ccccc3)n2C2CCCC2)cc1 3362795 SWFPXWRVLVCIKI-UHFFFAOYSA-N 419.594 6.333 0 40 HKAB Cc1ccc(-c2nnc(SC/C=C/c3ccccc3)n2-c2ccc(Cl)cc2)cc1 3364288 APBVCQVPVVTMLW-VMPITWQZSA-N 417.965 6.702 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 4293019 YMMFNKXZULYSOQ-BQWJFFHSSA-N 420.678 5.554 0 40 HKAB CC(C)(C)c1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1 4450222 LUSBTZJQUNWUBW-UHFFFAOYSA-N 413.505 6.101 0 40 HKAB O=C(O)Cc1sc(Nc2ccc(Br)cc2)nc1-c1ccc(F)cc1 5023187 BFZZLPRCNCEKHZ-UHFFFAOYSA-N 407.264 5.082 0 40 HKAB COc1ccccc1-n1c(/C=C/c2cccc3ccccc23)nc2ccccc2c1=O 5026079 GRKSVLZXQIFSGU-ISLYRVAYSA-N 404.469 5.718 0 40 HKAB COc1ccc([C@H](Nc2ccccn2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 5714791 ZGYUEKDQJPSILA-DEOSSOPVSA-N 418.581 6.592 0 40 HKAB Cc1c(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)oc2ccc(F)cc12 6606375 SPEGFTTXGCABBW-RFBIWTDZSA-N 414.505 6.691 0 40 HKAB O=C(Cn1ccc2cc(Br)ccc21)Nc1nc(-c2ccccc2)cs1 6757283 QCDUHSXLMOJACY-UHFFFAOYSA-N 412.312 5.166 0 40 HKAB CCc1ccc(NC(=O)CSC2=NC3(CCCCCC3)Nc3ccccc32)cc1 6901998 PUCWIGOLBFMBPU-UHFFFAOYSA-N 407.583 5.844 0 40 HKAB COc1cc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc(OC)c1OC 6906187 KNUOWHTUQCVYMK-UHFFFAOYSA-N 420.490 5.241 0 40 HKAB Cc1cccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c1C 6968447 DNMUUKGYTHKQRK-LPYMAVHISA-N 413.502 5.202 0 40 HKAB Cc1ccccc1NCc1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1 6969261 JBTRWCJJCRJWPJ-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB CCOc1ccc(-c2nc(NC(=O)c3cc(OC)c(C)c(OC)c3)sc2C)cc1 6997973 XDVMPJNQTAVJEZ-UHFFFAOYSA-N 412.511 5.095 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 7073150 KUKAGPGTTXGWEC-QGZVFWFLSA-N 416.546 6.494 0 40 HKAB Fc1ccc(COc2ccc(Br)cc2CNC2CCCCCCC2)cc1 7523346 LNUHHJOHVFCNBX-UHFFFAOYSA-N 420.366 6.370 0 40 HKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@H]2c2ccc(O)cc2)cc1 8024981 FMXQDZZJVFTTOT-HSZRJFAPSA-N 415.880 5.494 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1 8157117 XAQKRHMOTYWRNO-RUZDIDTESA-N 409.489 5.331 0 40 HKAB CCOc1c(Br)cc(Br)cc1CN[C@H](C)c1ccccc1 8253324 XDNYLCKMTFWZDQ-GFCCVEGCSA-N 413.153 5.461 0 40 HKAB Cc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NC(=O)c4cccs4)C3)c2C)cc1Cl 8636124 UQHWKNCUPWCIAR-IAGOWNOFSA-N 411.958 5.355 0 40 HKAB biogenic,in-vitro c1ccc(-c2cc(-c3nn4c(-c5ccccn5)nnc4s3)c3ccccc3n2)cc1 9053490 IVBZTKBBFRXFMB-UHFFFAOYSA-N 406.474 5.130 0 40 HKAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3ccccc3Br)ccc1O2 9135044 UEPWGEYSJAMINR-UHFFFAOYSA-N 423.266 5.368 0 40 HKAB Cc1ccccc1-c1nc2cc(NC(=O)CC34CC5CC(CC(C5)C3)C4)ccc2o1 9226638 PRPSXIMFNWXWMW-UHFFFAOYSA-N 400.522 6.348 0 40 HKAB O=C(Nc1ccc(-c2ccc(N3CCCCCC3)nn2)cc1)c1c(F)cccc1F 9455918 GJLVDXICMYPCJV-UHFFFAOYSA-N 408.452 5.055 0 40 HKAB O=C(Cc1ccc(Br)cc1)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 9699665 DFIVIQJEDSWYBJ-UHFFFAOYSA-N 423.266 5.144 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc4sccc4c3)c2)cc1 9714824 DUYRLYGKHLYQAJ-UHFFFAOYSA-N 422.531 5.263 0 40 HKAB CCOc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccncc2)cc1 10249832 GTRWPEXKMHTTFM-UHFFFAOYSA-N 422.941 5.674 0 40 HKAB Cc1ccc2oc(C(=O)Nc3ncc(Cc4ccc(Cl)cc4)s3)cc(=O)c2c1 11689971 VIBFVKGZMMUUSL-UHFFFAOYSA-N 410.882 5.054 0 40 HKAB Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c(N)n(CCc2ccc(Cl)cc2)c1C 12372566 IDYLEKWPPHSMMD-UHFFFAOYSA-N 423.365 5.069 0 40 HKAB Cc1cccc(OCCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c1C 12539270 MDQDQPCOZSJODC-LJQANCHMSA-N 417.509 5.206 0 40 HKAB CCOc1c(Br)cc(F)cc1NC(=O)c1ccc(Br)cc1 12946157 QWSVOPWBHYQCED-UHFFFAOYSA-N 417.072 5.002 0 40 HKAB CCN(CC)C(=O)c1cccc(NC(=O)c2cccc3c4c([nH]c23)CCCCC4)c1 13011554 JGEJUHOSHBHLCM-UHFFFAOYSA-N 403.526 5.171 0 40 HKAB COc1cc(/C=C/C(=O)N(C)Cc2cccc(Cl)c2)cc(Cl)c1OC(C)C 13097264 GEISMMOKGIBFGV-CMDGGOBGSA-N 408.325 5.461 0 40 HKAB Cc1cc(NCCc2ccccc2)n2nc(C(F)(F)F)c(-c3ccc(F)cc3)c2n1 15839975 RHHHSVJVTKVNCX-UHFFFAOYSA-N 414.406 5.517 0 40 HKAB COc1ccc(C)cc1CN1CCC(c2cc(C(F)F)c3c(C)noc3n2)CC1 19133352 PDVIKYKVXNGTAN-UHFFFAOYSA-N 401.457 5.165 0 40 HKAB Cc1ccc(C(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)cc1F 19214459 LALIMMOTOJSBIG-AWEZNQCLSA-N 405.395 5.049 0 40 HKAB Cc1ccc(-n2nc3ccc(NC(=O)c4cccc(OCC(C)C)c4)cc3n2)cc1 20609978 QSNMRQPQFGXHES-UHFFFAOYSA-N 400.482 5.016 0 40 HKAB O=C(Nc1ccc(-c2nc3cnccc3o2)c(O)c1)c1ccc(Cl)c(Cl)c1 20725510 ARZROMZNFDMTMP-UHFFFAOYSA-N 400.221 5.155 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@H](C)c1ccc(Cl)c(Cl)c1 24747170 AZUBLMTXXPQOKG-CYBMUJFWSA-N 417.340 5.085 0 40 HKAB C[C@H]1C[C@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2c(Cl)cccc2Cl)o1 30368809 KWCYLUSMAWXRSJ-SMDDNHRTSA-N 400.327 5.063 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2noc(-c3cccc(Cl)c3)n2)cc(C)c1Cl 32623285 ZVYZRGPTWGFQDO-GFCCVEGCSA-N 406.269 5.066 0 40 HKAB Cc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 35269868 OYYALJMIWJHTPY-UHFFFAOYSA-N 423.925 5.028 0 40 HKAB Cc1cccc(CSc2nccn3nc(-c4ccc(Br)cc4)cc23)c1 38486448 BEPSTXMQGJLVMS-UHFFFAOYSA-N 410.340 5.760 0 40 HKAB Cc1ccccc1[C@H](NC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1 38772603 RELZMWWHDZVULE-AREMUKBSSA-N 422.553 7.097 0 40 HKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(CSc2ccccc2)cc1 44839983 PHAAZYJJJCJJAD-QHCPKHFHSA-N 405.563 6.392 0 40 HKAB CC(C)c1ccc2oc(-c3cccc(NC(=O)c4ccc5nsnc5c4)c3)nc2c1 57316166 ZXYMMSVRFYBQDV-UHFFFAOYSA-N 414.490 5.875 0 40 HKAB COc1ccc(Cl)cc1C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 57317041 NBAMIUUTJDICTA-UHFFFAOYSA-N 420.690 5.301 0 40 HKAB CC(C)N1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215763 LDLQZUFODNTRQY-NRFANRHFSA-N 401.595 6.091 0 40 HKAB C[C@H]1CCCCN1c1cc(NC(=O)c2ccc(Cl)cc2Cl)c(Cl)cc1N 72229418 SCLOLHLOZVNNBU-NSHDSACASA-N 412.748 5.860 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1[nH]c2ccccc2c1Br 84667882 DMFORMMYMKGWMT-LLVKDONJSA-N 414.328 5.373 0 40 HKAB COC(=O)CN1C(c2cccc(OC)c2)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1 95945315 BVRHDXQZURVCIF-HSZRJFAPSA-N 420.896 5.005 0 40 HKAB Cc1occc1-c1nn(CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)c(=S)n1C 95947976 PDSFEULUILTALB-OAQYLSRUSA-N 422.529 5.338 0 40 HKAB O=C(O)CC/C(=C/c1ccc(Br)cc1F)c1nc2ccccc2s1 96767656 RMUGONWFSRCVII-XFXZXTDPSA-N 406.276 5.603 0 40 HKAB CC1CCN(Cc2cccc(NC(=O)c3ccc4nc(C(F)(F)F)[nH]c4c3)c2)CC1 141577388 FWMKVIXYMYSDQF-UHFFFAOYSA-N 416.447 5.066 0 40 HKAB CC(C)c1ccc(OCC(=O)NCCSCc2ccccc2)c(Br)c1 218870126 HIWVIBDKVWDXQW-UHFFFAOYSA-N 422.388 5.001 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(C)c(C)c3)N21 222709731 XEXKKSRWECLJEF-YFXJRYMSSA-N 402.567 5.469 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)NCCSc1ccc(Cl)cc1 222716407 NNLBAPCMVONTHY-UHFFFAOYSA-N 420.814 5.789 0 40 HKAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1 222881107 KADZOCZUZKOOPP-HSZRJFAPSA-N 408.542 5.108 0 40 HKAB S=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1ncc(Cl)nc1Cl 223987916 CSTPPARFGKLOAJ-UHFFFAOYSA-N 415.777 5.235 0 40 HKAB O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224018044 MIWLVARTTCRESS-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C 224190207 WVEASYQMALLYKO-VWLOTQADSA-N 420.597 5.021 0 40 HKAB COc1ccc(C(=O)NC2CCCCC2)cc1COc1ccc(-c2ccccc2)cc1 224213751 VFTQLIOEKOWEHT-UHFFFAOYSA-N 415.533 6.004 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 224219313 FTMUMXSFMLCYAK-GOTSBHOMSA-N 402.567 5.484 0 40 HKAB COc1ccc(C(=O)NCCc2ccccc2)cc1COc1cc(C)cc(C)c1C 224274985 BTRGGYYCEWLBLE-UHFFFAOYSA-N 403.522 5.172 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(C)cc1)c1ccc(C)cc1C 224514411 MRMDDENBJDFUDO-VNLJKWRZSA-N 416.521 5.243 0 40 HKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 224974437 GIKPXWVXSKSMJU-UHFFFAOYSA-N 413.904 6.981 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)[C@H](C)Oc3cccc4ccccc34)ccc21 225158113 MZPVOZTUFCGBJH-HNNXBMFYSA-N 406.507 5.203 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)NCCSCc1cccc(Cl)c1 225368284 UTNOQQSVNLRNQG-UHFFFAOYSA-N 402.774 5.629 0 40 HKAB CCCCc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225580956 CQHFRSFQQPTJIE-UHFFFAOYSA-N 402.941 5.672 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)cc1Cl 225660951 DVBZPNYIMFIONU-OAHLLOKOSA-N 418.990 5.560 0 40 HKAB COc1ccc(NC(=O)C2(c3ccc(C)cc3)Cc3ccccc3C2)c2ccccc12 225933651 QABHKFHMXXQPIB-UHFFFAOYSA-N 407.513 5.832 0 40 HKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2nc3ccccc3s2)S1 260769271 LFOKVILYKKORGS-VOBQZIQPSA-N 417.563 5.071 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)c(Cl)c1 408624831 CJFOJGUQLYWSCX-OAHLLOKOSA-N 401.963 5.154 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(C)c(Cl)c2)cc1 408698169 LQWCIBAGMJKDFP-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)c(Cl)c3)n2)c1 408699274 SOHSQDIKBFOIDZ-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C(NCCSC1CCCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1 409026979 MBIOZZASCVGECT-UHFFFAOYSA-N 420.043 6.428 0 40 HKAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccccc1OCc1ccc(F)cc1 409101021 OLVSYJIPXZAAAF-ODLFYWEKSA-N 413.370 5.916 0 40 HKAB CCOc1cc(CNc2ccccc2Cl)ccc1OCc1cccc2ccccc12 409180444 SVOXEUMIZSQQJR-UHFFFAOYSA-N 417.936 7.083 0 40 HKAB CC1=C[C@H](C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)[C@@H](C(=O)O)CC1 521398267 RCIFBFXCXNXEGK-ROUUACIJSA-N 406.507 5.267 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](c1ccco1)c1cccs1 585146849 ZWMUCFLJAIPXCE-OAHLLOKOSA-N 412.898 5.520 0 40 HKAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(F)cc4Cl)c(N)c3cc2C1 661850 UUDZDWYEJKLWGP-JTQLQIEISA-N 403.910 5.438 0 40 HKAB Cc1ccc(NC(=O)CN(Cc2ccco2)C(=O)c2ccccc2Cl)cc1Cl 976151 SBORLDVXJSDGCW-UHFFFAOYSA-N 417.292 5.176 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3cc2OCC(=O)c2ccc(F)cc2)cc1 993180 GOLVCVSOCXMZKE-UHFFFAOYSA-N 413.448 5.801 0 40 HKAB COc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccc(C)cc4)cc3n2)cc1OC 1040209 DGPRUIMSRMFGNY-UHFFFAOYSA-N 413.399 5.408 0 40 HKAB COc1cc([C@H]2Nc3ccc(Cl)cc3[C@H](c3ccccc3)O2)cc(OC)c1OC 1303751 JUFWFWSUTQTHPJ-GMAHTHKFSA-N 411.885 5.596 0 40 HKAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)c4ccc(F)cc4)c23)C1 1377286 RIXAXXHQURXWJF-LBPRGKRZSA-N 412.555 5.808 0 40 HKAB O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1ccccc1OCc1ccccc1 1814402 YXSISRVTEUCTTE-NDENLUEZSA-N 424.283 5.917 0 40 HKAB CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCc1ccccc1-3 1867907 XUMVFQZWSUBFTR-UHFFFAOYSA-N 404.560 5.633 0 40 HKAB O[C@@H](Cn1c(-c2ccccc2)nc2ccccc21)Cn1c2ccccc2c2ccccc21 1889451 DHEXFJCLLDHASP-OAQYLSRUSA-N 417.512 5.872 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CC[C@@H](C)C2 1904706 HPUKJCMCNNUFJX-SNVBAGLBSA-N 412.338 5.609 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc(Oc2ccccc2)c1 2031204 ZEHJJMUVOAECCQ-UHFFFAOYSA-N 406.894 6.508 0 40 HKAB CCCCCCSc1nnc2c(n1)O[C@@H]([C@@H]1CC=C(C)CC1)Nc1ccccc1-2 2073886 ZNAMFBGPSXMBEN-UTKZUKDTSA-N 410.587 6.088 0 40 HKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)/C=C/c1ccc(Cl)cc1 2212267 UAAZHLIBEOBVES-MDWZMJQESA-N 404.853 5.809 0 40 HKAB COc1ccc(-c2cc(=O)oc3cc(C)cc(OCc4c(F)cccc4Cl)c23)cc1 2297198 PMUSTQRZXHNKFI-UHFFFAOYSA-N 424.855 6.149 0 40 HKAB Cc1nc2[nH]c(SCc3ccc(Cl)c(Cl)c3)nc2cc1Br 2446924 URQQDNRWOODLBS-UHFFFAOYSA-N 403.132 5.628 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(OC4CCCC4)cc3)n2)c1 2801225 YPJYSYQXNUPNHA-UHFFFAOYSA-N 424.522 5.401 0 40 HKAB COc1ccc(-c2cn3cc(-c4ccc(Cl)c(Cl)c4)n4c3c2CCCC4)cc1 3167683 XCRYNZJQTGBQMP-UHFFFAOYSA-N 411.332 6.727 0 40 HKAB Cc1cc(C)c(NC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)c(C)c1 3236999 ANHBLPPWQMMRFX-UHFFFAOYSA-N 401.506 5.316 0 40 HKAB CC(C)c1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)cc1 3246090 MBXPOHBWUWHOKO-UHFFFAOYSA-N 419.546 6.389 0 40 HKAB Cc1ccc(Nc2nnc(SCc3ccc(Br)cc3)s2)cc1C 3250106 RYJCNWWYWBBQFA-UHFFFAOYSA-N 406.374 5.953 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)CCC(=O)c2cccs2)c2ccccc2)c1 3250453 MHURQCWWPZEEKY-QHCPKHFHSA-N 421.518 5.251 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 3355618 JMKLJJJUYGNGOC-SFHVURJKSA-N 422.550 5.278 0 40 HKAB Cc1c(O)ccc([C@]23CCCC[C@H]2C2(CCCCC2)c2ccc(O)c(C)c2O3)c1O 3626367 FVHKEAUPKRWEDW-BKMJKUGQSA-N 408.538 6.100 0 40 HKAB Fc1cccc(F)c1-n1c(COc2cccc(C(F)(F)F)c2)csc1=S 4054521 CLDWHOCJLSYZAC-UHFFFAOYSA-N 403.397 6.144 0 40 HKAB O=C(CSc1cn(Cc2ccccc2)c2ccccc12)N1CCCc2ccccc21 4059637 QSIYKVCEBPFALT-UHFFFAOYSA-N 412.558 5.761 0 40 HKAB COc1ccc(OC)c(-c2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2C)c1 4363073 MGQJYNGXNROAOD-UHFFFAOYSA-N 412.555 5.291 0 40 HKAB CC(C)C(=O)Nc1ccccc1Sc1ncnc2scc(-c3ccccc3)c12 4673439 QJJXHZCNWXVGRN-UHFFFAOYSA-N 405.548 6.104 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(CC)cc4)nc3c2)cc1 4723343 HATXZGVBPVIDBN-UHFFFAOYSA-N 400.482 5.024 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 4745656 MBZQRBQHKYEXEE-UHFFFAOYSA-N 402.519 6.395 0 40 HKAB CCCCc1nc2sc3c(SCC(=O)OCC)ncnc3c2c2c1CCCC2 4822627 DYQOIRRWTNLBRZ-UHFFFAOYSA-N 415.584 5.116 0 40 HKAB Cc1cc2cc(CN(Cc3ccccc3)C(=O)c3cccs3)c(Cl)nc2cc1C 5008057 YWJJHJXGPMYXKU-UHFFFAOYSA-N 420.965 6.409 0 40 HKAB COc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)c1 5256157 SGOSZVMLIMPMNM-FQEVSTJZSA-N 416.308 5.441 0 40 HKAB CCOC(=O)Nc1ccc([C@@H]2SCCN2C(=O)Nc2ccc(Cl)cc2)cc1 5618597 CVLYCSIGZJKOAV-KRWDZBQOSA-N 405.907 5.188 0 40 HKAB biogenic CC[C@@H](C)c1ccccc1NC(=O)c1cc2ccccc2c(Br)c1OC 6224269 FOLNQPDLIMUWOX-CQSZACIVSA-N 412.327 6.377 0 40 HKAB CCCOc1ccc(C2=C/C(=C3/N=C(c4ccco4)OC3=O)c3ccccc3O2)cc1 6398407 KYIQNLNEYRFTKT-NMWGTECJSA-N 413.429 5.217 0 40 HKAB CCc1cccc(CC)c1NC(=O)COC(=O)/C=C/c1cccc(C(F)(F)F)c1 7737782 GDBLMHZYEVBVTL-VAWYXSNFSA-N 405.416 5.025 0 40 HKAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1 8273747 FEEPAAUJJTZGKE-UHFFFAOYSA-N 403.913 5.687 0 40 HKAB Oc1ccccc1C1=Nc2nc3ccccc3n2[C@H](c2ccc(Br)cc2)C1 9085979 LKBYTZXHAWQGIH-FQEVSTJZSA-N 418.294 5.618 0 40 HKAB Cc1cccc(-n2c(SCc3cn4ccsc4n3)nc3ccccc3c2=O)c1C 9144396 OZULOHBAKHVSAJ-UHFFFAOYSA-N 418.547 5.004 0 40 HKAB O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1nc2ccc(F)cc2s1 11807637 LBBMCFUAAQKSHB-UHFFFAOYSA-N 401.850 5.315 0 40 HKAB CC(=O)N[C@@H](c1nccs1)[C@H]1CCCN(Cc2ccc(-c3ccc(F)cc3)cc2)C1 12157717 TVZRFUQJUZZYSK-JTHBVZDNSA-N 423.557 5.039 0 40 HKAB CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1OC 12986291 QDIRZIFQJARFQA-YLZCUGDYSA-N 408.523 5.081 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)[C@H](C)N(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1 13098009 BVHIJKZERDRUSN-XLIONFOSSA-N 409.574 5.023 0 40 HKAB Nc1c(C(=O)c2ccc3c(c2)-c2ccccc2C3)sc2nc(-c3ccccc3)ccc12 13579087 YNKOJXKKVMOZJC-UHFFFAOYSA-N 418.521 6.348 0 40 HKAB CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(Cl)cc1Cl 14070087 RYANUZRHOXASHK-UHFFFAOYSA-N 407.326 5.003 0 40 HKAB C[C@@H]1CC2(CCCCC2)N2C(=O)[C@@]3(NCCc4c3[nH]c3ccccc43)c3cccc1c32 14162417 QGTXVWQWWVHIBP-XGCWNURASA-N 411.549 5.114 0 40 HKAB C[C@@H](OC(=O)c1c(Cl)ccc(Cl)c1Cl)C(=O)Nc1ccc(F)cc1F 15826354 NYBQWFOKZNEKTQ-SSDOTTSWSA-N 408.615 5.109 0 40 HKAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1 19690570 YONAUNUDYUFGOF-AREMUKBSSA-N 409.533 5.835 0 40 HKAB Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@H]2CCCN2Cc2cnn(C)c2)n1 19692010 MPNYARDUCBMPET-JOCHJYFZSA-N 414.475 5.070 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl 20144662 YUDDKCIKJXBKAO-ZETCQYMHSA-N 423.079 5.404 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1cc(C(=O)O)ccc1Cl 20150963 JFTMNMCFWKYYRM-JXMROGBWSA-N 402.233 5.604 0 40 HKAB CCc1ccc(Cn2nccc2NC(=O)c2ccc(C3SCCS3)cc2)cc1 21599568 SQPKZRAGSVESPK-UHFFFAOYSA-N 409.580 5.225 0 40 HKAB Cc1cccc(-c2nnc([C@H](C)N3CCN(Cc4cccc5ccccc45)CC3)o2)c1 22790331 DLGRKDQVEKBPOW-FQEVSTJZSA-N 412.537 5.077 0 40 HKAB Cc1cccc(OCC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 27744443 WKKXDYSFSZNKAY-OAQYLSRUSA-N 418.924 5.457 0 40 HKAB COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OC 32895199 SITXDMZZVZWNQS-KBXCAEBGSA-N 405.947 5.202 0 40 HKAB COc1ccc([C@@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)cc1OC(C)C 36358532 KTBJCFXHRWSEBL-HNNXBMFYSA-N 401.532 5.053 0 40 HKAB O=C(c1cc(Br)ccc1Cl)N(Cc1ccsc1)CC(F)(F)F 44447625 QODXEKFPRYXPCW-UHFFFAOYSA-N 412.658 5.369 0 40 HKAB O=C(NCCSC1CCCCC1)c1ccc(CN2CCCc3ccccc32)cc1 44904726 VYERIXBBUFPVJV-UHFFFAOYSA-N 408.611 5.435 0 40 HKAB COc1ccc(CC(=O)N(C2CC2)[C@@H](C)c2cccc(C(F)(F)F)c2)cc1OC 45403302 IMFFJAWWTKGLIN-AWEZNQCLSA-N 407.432 5.017 0 40 HKAB CNc1nc2c(s1)[C@@H](c1cccc(OC)c1OCc1ccccc1F)CC(O)=N2 49548242 GMBYOEJLLVMQMW-CQSZACIVSA-N 413.474 5.035 0 40 HKAB COC(=O)c1c(NC(=O)/C=C/c2cc3cc(C)ccc3o2)sc2c1CC[C@H](C)C2 67339708 UABCXMFRYJDFRI-MRZGDXHCSA-N 409.507 5.366 0 40 HKAB C[C@@H](NCc1ccc(OCc2cscn2)cc1)c1nc(-c2cccnc2)cs1 78823216 WPJCAVPUKKYFFP-OAHLLOKOSA-N 408.552 5.091 0 40 HKAB CCOc1ccc2ccccc2c1C(=O)NCC(O)(c1cccs1)c1cccs1 90617212 OHUMYBOBYABYIB-UHFFFAOYSA-N 423.559 5.027 0 40 HKAB O=C(CSCc1c(F)cccc1Cl)Nc1ccc(Oc2ccccc2)cc1 95471963 LVWBKLIUHSMNHH-UHFFFAOYSA-N 401.890 6.143 0 40 HKAB O=C(Nc1cccc(OC(F)(F)C(F)F)c1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 100731545 VBEKPNJXBDYVGD-SKLAPFLYSA-N 405.819 5.440 0 40 HKAB Brc1ccc([C@@H]2C=C(c3ccccc3)Nc3nc4ccccc4n32)cc1 100775677 GHQDMNNDNUCUPQ-NRFANRHFSA-N 402.295 5.855 0 40 HKAB Brc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1cccnc1)O2 102003880 WBBMGNIMSNVMAM-FPOVZHCZSA-N 406.283 5.086 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3[C@@H]2C(=O)c2cc(C(C)(C)C)ccc2O)c(C)c1 103015609 GDKOIJHCDRLVBP-XMMPIXPASA-N 413.517 5.891 0 40 HKAB CCN(CCC#N)c1ccc(/N=N/c2nc3cc(Cl)c(Cl)cc3s2)c(C)c1 111424317 QPFHNWRKKQLCMG-OCOZRVBESA-N 418.353 7.067 0 40 HKAB CCc1nc(S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)O)n[nH]1 213391188 MLGMVQYDWSEVSB-JYRVWZFOSA-N 410.282 5.152 0 40 HKAB C[C@@H](NC(=O)CCCN1C(=O)c2cccc3cccc1c23)c1ccc(C(C)(C)C)cc1 219466119 DNSOHCUWDUQCLU-GOSISDBHSA-N 414.549 5.755 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 222935940 SXJCCSQDQDBBEY-ZEQRLZLVSA-N 411.586 6.054 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(Cc1ccccc1)Cc1ccccc1 223947219 AZQNTEBJLAUZBH-MHZLTWQESA-N 413.561 5.952 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1c1ccccc1 224186099 QKROYZJPWIWTBR-DHIUTWEWSA-N 402.567 5.565 0 40 HKAB COc1ccc(OCc2cc(C(=O)Nc3cccc(SC)c3)ccc2OC)cc1 224267885 YVUZCNYBMSPWCI-UHFFFAOYSA-N 409.507 5.257 0 40 HKAB Fc1ccc(COc2ccc(CNC(=S)Nc3ccccc3Cl)cc2)cc1 225533068 LEYDANXSLURTJP-UHFFFAOYSA-N 400.906 5.545 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 225622355 OXNVTIXMMJPXRJ-CTNGQTDRSA-N 418.002 6.410 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225750277 RIFJOMYYNQYCLJ-DEOSSOPVSA-N 404.595 5.255 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(OCC)CCCCCC2)ccc1O[C@@H](C)CC 225830625 MNSJUQRMXHUEDC-KRWDZBQOSA-N 405.535 5.109 0 40 HKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 225835984 PISPLTBDMBNJGB-UHFFFAOYSA-N 404.297 5.738 0 40 HKAB Cc1cc(NC(=S)NC2(CCc3ccccc3)CCCC2)ccc1N1CCCC1=O 225869793 SBMWWPJRRVJNNX-UHFFFAOYSA-N 421.610 5.354 0 40 HKAB COc1cc(C(=O)Nc2cccc(C)c2C)cc(Cl)c1OCc1ccc(C)cc1 408552083 HEAHDZFLBTWQCI-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB Cc1cccc(NCc2cc(Br)ccc2OCc2ccccc2F)c1 409121051 XYXLVFWUUBYBND-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB C[C@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@H](O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@H]1[C@H]2C 2061001034 WQLVFSAGQJTQCK-VPBBWWTJSA-N 414.630 5.714 0 40 HKAB O=C(Nc1nnc(SCc2ccc(Cl)cc2Cl)s1)c1ccc(F)cc1 707871 KFTYTFONUYUQIO-UHFFFAOYSA-N 414.314 5.529 0 40 HKAB O=C(Oc1ccc(Cl)cc1Cl)c1ccccc1N1C(=O)c2ccccc2C1=O 991731 NRCUPNOSUWCTEC-UHFFFAOYSA-N 412.228 5.013 0 40 HKAB CCCCCCOc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2C)cc1 1962037 ZYYDGVXSHNLEQV-UHFFFAOYSA-N 403.906 5.403 0 40 HKAB CCCCOC(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1 2077700 KDGCFNRWYXIURM-UHFFFAOYSA-N 424.500 5.727 0 40 HKAB CCn1c(SCc2ccc(C)cc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2253424 VMECKBQOTHHRIM-UHFFFAOYSA-N 416.590 5.899 0 40 HKAB Cc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 2398264 KICGQNWWHLMLBP-HXUWFJFHSA-N 416.502 5.233 0 40 HKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(Cl)cc1)N(Cc1ccco1)C3=O 2402068 LFBZPAVNFXRBPP-NRFANRHFSA-N 419.864 5.402 0 40 HKAB CCCCc1nc2sc3c(NCCCN(CC)CC)ncnc3c2c2c1CCC2 2412122 OJNCCOLJPOOVMG-UHFFFAOYSA-N 411.619 5.215 0 40 HKAB C[C@@H](OC(=O)/C=C/c1ccc(Cl)cc1Cl)C(=O)c1ccc(C(C)(C)C)cc1 2637533 STVWLCPWXODUDF-CEFACKQISA-N 405.321 6.119 0 40 HKAB O=C(CSc1nc2ccccc2s1)NCCC(c1ccccc1)c1ccccc1 2641251 YLOOQRIENOMMPM-UHFFFAOYSA-N 418.587 5.727 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccco2)c(C(=O)c2ccccc2)c1 3208711 LSIRSCDIRVQKQD-UHFFFAOYSA-N 424.456 5.324 0 40 HKAB O=C(NC(=S)Nc1ccccc1-c1ccccc1)c1ccc(Cl)cc1Cl 3257180 YVSGLPHEELNOHL-UHFFFAOYSA-N 401.318 5.787 0 40 HKAB c1ccc(Cn2c(SCc3ncc(-c4ccccc4)o3)nnc2-c2ccco2)cc1 3282648 IBTQBMKDFPMLEM-UHFFFAOYSA-N 414.490 5.534 0 40 HKAB O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1cccc(Br)c1 3320624 HNTAAJAKEFJUNQ-UHFFFAOYSA-N 415.284 5.626 0 40 HKAB COc1ccc(-c2ccnc(-c3ccc(OC(=O)c4ccc(F)cc4)cc3)n2)cc1 4050284 MOZKCUTZLJJSKU-UHFFFAOYSA-N 400.409 5.178 0 40 HKAB CC(C)(C)c1ccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccccc3)cs2)cc1 4188748 XELRLEPWFFGXMV-OAQYLSRUSA-N 420.578 5.933 0 40 HKAB CC[C@@H](C(=O)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12)c1ccccc1 4267533 KWUNUCXCKRRHCZ-LJQANCHMSA-N 416.452 5.957 0 40 HKAB CCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1 4295498 XTVRXXHHMRQUOD-UHFFFAOYSA-N 415.449 5.063 0 40 HKAB COc1ccc(OC)c(S[C@H](CC(=O)c2ccc(Cl)cc2)c2ccccc2)c1 4452636 VVROAWZKQKTMDA-JOCHJYFZSA-N 412.938 6.464 0 40 HKAB COc1ccc([C@@H]2C[C@H](c3ccccc3Cl)n3ncnc3N2C(=O)C(C)(C)C)cc1 4816884 FMBDJPAHUUUOAB-VQTJNVASSA-N 424.932 5.054 0 40 HKAB COc1ccc(Nc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 4869170 POJNYPKZRZRPFD-UHFFFAOYSA-N 401.388 6.102 0 40 HKAB CCCO[P@](=O)(OC=C(Cl)Cl)O[C@@](C)(CC)C(Cl)(Cl)Cl 5431506 FQKMTSBABMRBHT-GWNMQOMSSA-N 408.473 6.370 0 40 HKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccccc2)cc1 5485709 ABFHKSVTYXSBKL-UHFFFAOYSA-N 418.497 5.113 0 40 HKAB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 5950281 CVRZXPKNFROQAJ-FPMFRTRJSA-N 413.904 5.085 0 40 HKAB COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 6234500 NQKYTZXPQAFXOB-UHFFFAOYSA-N 414.505 6.362 0 40 HKAB CCCCCCNCc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 7260961 DRSDHWYVUVTVIA-UHFFFAOYSA-N 424.354 5.846 0 40 HKAB Cc1ccc(CNCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 7537911 DHZOBVOYLTXCQD-UHFFFAOYSA-N 414.318 5.765 0 40 HKAB CCCc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc(OC(F)F)cc3)o2)cc1 7787279 LLRZEEAFHYJOBU-ZDUSSCGKSA-N 418.465 5.654 0 40 HKAB O=C(Nc1ccc(OCCOc2ccccc2)cc1)c1ccc(Cl)cc1Cl 8162050 GQFQKQRCAYLCQJ-UHFFFAOYSA-N 402.277 5.704 0 40 HKAB C[C@@H](Oc1ccccc1)C(=O)NCCSc1c(-c2ccccc2)[nH]c2ccccc12 8243138 YNCXEIWKGXPASL-GOSISDBHSA-N 416.546 5.511 0 40 HKAB CCCN1C(=O)CCc2cc(NC(=O)c3c(-c4ccccc4Cl)noc3C)ccc21 9107110 WLKKVZZDOMRAFY-UHFFFAOYSA-N 423.900 5.245 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H](Nc1ccc2oc(C)nc2c1)c1ccccc1 9469129 MZVGBVVBMSXDKN-HSZRJFAPSA-N 401.466 5.245 0 40 HKAB CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)/C=C/c1nc2ccccc2o1 9638144 XANDSHZEZHJMOE-WUKNDPDISA-N 412.489 5.469 0 40 HKAB FC(F)(F)c1cc(-c2cccnc2)nc2c1c(-c1ccccc1)nn2-c1ccccc1 9948873 QHMGPJBNWMRVNS-UHFFFAOYSA-N 416.406 6.168 0 40 HKAB CCCCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(C)cc3c2C)cc1 11914156 GHFWKTQUWHXXJS-UHFFFAOYSA-N 405.454 5.531 0 40 HKAB Cc1ccsc1CN(Cc1ccco1)C(=O)c1cc(-c2ccc(Cl)cc2)on1 11917561 IVXOGYIQDYZISX-UHFFFAOYSA-N 412.898 5.801 0 40 HKAB N#Cc1c(N=Cc2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)sc2c1CCCC2 12428591 KZWRJUAFFQGMCA-UHFFFAOYSA-N 410.882 5.861 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(C(F)(F)F)ccc1-n1ccnc1 12558934 VOEFFZTVDCCQKE-UHFFFAOYSA-N 415.202 5.842 0 40 HKAB CC(=O)Oc1ccc(-c2ccc(C(=O)O[C@@H](C)C(=O)c3cccc(Cl)c3)cc2)cc1 12925015 JARNDGZWURUZAW-HNNXBMFYSA-N 422.864 5.361 0 40 HKAB Cn1c(/C=C(/OC(=O)c2ccccc2Cl)c2ccccc2Cl)nc2ccccc21 13633435 ZNDCYTPIGNXFEY-KGENOOAVSA-N 423.299 6.235 0 40 HKAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCSCc1c(F)cccc1Cl 13709200 ZVJFILKBDGZHNE-HNNXBMFYSA-N 417.933 5.449 0 40 HKAB Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)c2)c1 14404942 VJLNHGJCRNBPDG-UHFFFAOYSA-N 424.504 5.302 0 40 HKAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(C(C)C)cc1 15016908 FKEIPJGEJTWOOH-QFIPXVFZSA-N 420.538 5.218 0 40 HKAB C[C@@H]1C[C@@H](NC(=O)c2cccc(C(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 15134474 GEDYDMDWVRNOIZ-MCEIDBOGSA-N 412.618 5.576 0 40 HKAB CSc1ccc(Cl)c(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c1 15991895 SUQGNTRQFVGGNJ-UHFFFAOYSA-N 417.943 5.396 0 40 HKAB CCCCc1ccc(NC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)cc1 16899426 UIAFJEVOPILFCD-SFHVURJKSA-N 422.472 5.490 0 40 HKAB CCCOc1ccccc1-c1nc2c(c3nc4ccccc4n13)Cc1ccccc1O2 17172949 UZZOQIATLYOBKM-UHFFFAOYSA-N 407.473 6.035 0 40 HKAB Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C2[C@H]2CC=CCC2)cc1 19325046 IWAXPVCBPVNXPQ-FQEVSTJZSA-N 401.381 5.994 0 40 HKAB CC(C)c1ccc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)cc1 20411320 BZCYIMQCLKIJFH-UHFFFAOYSA-N 420.896 6.289 0 40 HKAB O=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)c1cccc(Cl)c1 22458476 CKIJAYLCBKEVBH-UHFFFAOYSA-N 405.841 5.221 0 40 HKAB O=C(Nc1nc2ccccc2s1)c1ccccc1-c1ccc(Cn2cccn2)cc1 25895797 CMPFWQCNVOFYHH-UHFFFAOYSA-N 410.502 5.460 0 40 HKAB COc1ccc([C@H]2CC(O)=Nc3nc(N)sc32)cc1OCc1ccc(Cl)cc1 32093497 LVJHGXNWQUZVPH-CQSZACIVSA-N 415.902 5.090 0 40 HKAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1nc2c(s1)CCCCC2 32885734 GWTUSSOBIZJTAZ-UHFFFAOYSA-N 403.960 5.370 0 40 HKAB Clc1ccc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(Cl)c1 33941535 KEBYZNCAUCDDID-UHFFFAOYSA-N 424.356 6.805 0 40 HKAB Cc1cccc(CN2CCC(C(=O)Nc3ccccc3Oc3ccccc3)CC2)c1 39758832 FLAZHHZODBANMZ-UHFFFAOYSA-N 400.522 5.638 0 40 HKAB CCOC(=O)c1c(N[C@@H]2OC(=O)c3ccccc32)sc2c1CC[C@H](C(C)(C)C)C2 44827194 QEQUPJBPQHPCDQ-ORAYPTAESA-N 413.539 5.357 0 40 HKAB O=C1c2ccccc2N[C@H](c2ccc(OCc3ccccc3)cc2)N1Cc1ccccc1 59483690 BUSBXLQPFWUEJW-MHZLTWQESA-N 420.512 6.032 0 40 HKAB Cc1c(C(=O)Nc2nc3ccccc3s2)c2ccccn2c1C(=O)c1ccccc1 68706781 ZIMOXWMHDBVGPG-UHFFFAOYSA-N 411.486 5.341 0 40 HKAB CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCCN2C(=O)CC2CCCCC2)n1 72390727 BJFJPVUWLLDKFS-NRFANRHFSA-N 424.589 5.725 0 40 HKAB C[S@@](=O)C[C@H](NCc1cccc(OCc2ccccc2Cl)c1)c1ccccc1 96003647 QPJSOFYMMQJRNK-FIPFOOKPSA-N 413.970 5.128 0 40 HKAB CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 96053044 YLBDDEIZPWLBIZ-NRFANRHFSA-N 408.561 5.105 0 40 HKAB Cc1ncccc1NC(=O)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1 96154332 JRBZWGAYAQNOIN-UHFFFAOYSA-N 414.396 5.245 0 40 HKAB C[C@@H](C(=O)Nc1ccc(F)cc1C(F)(F)F)c1cccc(C(=O)c2ccccc2)c1 98073007 SKQATPIQDARNNF-CQSZACIVSA-N 415.386 5.818 0 40 HKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1c[nH]c2ccccc12 102794784 SRZWDGIAMPGIAJ-VWLOTQADSA-N 413.521 6.370 0 40 HKAB CCC1(CC)C[C@H](NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)c2ccccc2O1 222729278 HQUSVEPVBNAZSB-QHCPKHFHSA-N 424.560 5.237 0 40 HKAB COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1cccc2ccccc12 224308029 BRHYGBREBDQLSJ-UHFFFAOYSA-N 417.549 6.270 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc(C)cc1 224472473 HDMJWLXXZMSFHW-UHFFFAOYSA-N 403.522 6.150 0 40 HKAB FC(F)(F)c1cc(NC(=S)NCCCSCc2ccccc2)ccc1Cl 225597472 WRELTPIBCLFUAK-UHFFFAOYSA-N 418.937 5.969 0 40 HKAB CC[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(C)c(C)c1 225710624 OUYDHIRBFTUWSI-QGZVFWFLSA-N 400.897 6.413 0 40 HKAB O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3cccc4ccccc34)C2)no1 257231461 GGTYLKLJVZWBDA-OAQYLSRUSA-N 417.553 5.270 0 40 HKAB COC(=O)c1c(NC(=O)/C(=C/c2ccccc2)c2ccccc2)sc2c1CCC2 408564322 VTQWIDLOTWTSOJ-XDJHFCHBSA-N 403.503 5.203 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3c(ccc4ccccc43)o2)CC1 408624685 TXDSRCARKQNOEC-UHFFFAOYSA-N 404.897 5.510 0 40 HKAB COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 408806699 BLJIRLWLFIEKPJ-FEQQAMHBSA-N 407.559 5.749 0 40 HKAB CCc1sc2nc(SCc3ccccc3)n(-c3ccc(C)cc3)c(=O)c2c1C 409110500 CUANHQXFECCTRN-UHFFFAOYSA-N 406.576 5.919 0 40 HKAB CC(C)c1nccn1CCC(=O)N1CCCCCCCc2ccccc2OCCC1 643585017 XWENPKJXTRHWPL-UHFFFAOYSA-N 411.590 5.201 0 40 HKAB CC(=O)N1CCCCCCCN(C(=O)c2c(C(C)C)noc2C)Cc2ccccc21 643587531 HGKAUCZOUVOUKR-UHFFFAOYSA-N 411.546 5.066 0 40 HKAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 671318 MRZJJEOCGXCZHM-LBPRGKRZSA-N 407.322 5.831 0 40 HKAB CCOc1ccc(NC(=O)c2cc(-c3ccc(OCC)cc3)nc3ccccc23)cc1 892325 CYIRYZZFGFICOU-UHFFFAOYSA-N 412.489 5.952 0 40 HKAB COc1ccc(N[C@@H](c2ccccc2OC)c2c(C)[nH]c3ccccc23)c(OC)c1 1298094 XZRZGGJFQXVSCQ-VWLOTQADSA-N 402.494 5.704 0 40 HKAB Nc1ccc(P(=O)(Nc2ccc3ccccc3c2)Nc2ccc3ccccc3c2)cc1 1870324 QDYSETPCOYWIRH-UHFFFAOYSA-N 423.456 6.618 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)sc2c1 2058075 QJRAEGSKDGUZTA-UHFFFAOYSA-N 400.547 6.822 0 40 HKAB CCC[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1c(C)cc(C)cc1C 2177016 JUXPMJZUKXQIHW-JGYHXSOQSA-N 409.573 6.874 0 40 HKAB O=c1c2c3c(sc2nc(SCc2ccccc2)n1C1CCCCC1)CCCCC3 2283540 KDGHUWZJFRGGJB-UHFFFAOYSA-N 424.635 6.524 0 40 HKAB CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cccc2ccccc12 2694695 GWODWVSEADSURP-UHFFFAOYSA-N 419.502 5.207 0 40 HKAB O=C(OCc1cccc2ccccc12)c1cccc(Cn2cc(Br)cn2)c1 2781730 KJEZDXXTIVUHNJ-UHFFFAOYSA-N 421.294 5.204 0 40 HKAB Cc1cccc(C)c1NCC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 2887729 ZKJGHGMKOVCIQU-UHFFFAOYSA-N 419.472 5.420 0 40 HKAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4C)c3N2)cc1 3012789 WFOLSPRSFQUWTK-MOPGFXCFSA-N 414.431 5.413 0 40 HKAB Cc1ccc(NC(=O)c2sccc2SCc2ccc(Cl)cc2Cl)cc1 3047300 XECLOVIPALCSHD-UHFFFAOYSA-N 408.375 6.908 0 40 HKAB FC(F)(F)c1cnc(NNC(=S)Nc2ccc(Cl)cc2Cl)c(Cl)c1 3310619 JKVHDSABOVEIBD-UHFFFAOYSA-N 415.655 5.374 0 40 HKAB O=C1[C@@H]2CCCCN2c2ccc(C(F)(F)F)cc2N1Cc1c(F)cccc1Cl 4052863 PARBDONOWLEWCV-KRWDZBQOSA-N 412.814 5.404 0 40 HKAB CCOc1ccc(-c2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 4124707 GLDXIMISHSEBGR-UHFFFAOYSA-N 410.304 6.307 0 40 HKAB O=C(Nc1ccccc1)c1oc2ccccc2c1NC(=O)c1c(F)cccc1Cl 4267166 WXOHKJMVJZZDJK-UHFFFAOYSA-N 408.816 5.730 0 40 HKAB O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 4568007 KQYNXTKVAJXCFG-YVLHZVERSA-N 402.208 5.737 0 40 HKAB CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 4910564 LYHGXRXTRCTFMN-RUZDIDTESA-N 411.549 5.584 0 40 HKAB CCN(CC)CCCNc1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12 4980491 JOJBDUZVTVHAIL-UHFFFAOYSA-N 417.532 5.346 0 40 HKAB Cc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C 5937862 YTNVVDUDPAXHQL-XLIONFOSSA-N 421.570 5.131 0 40 HKAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O 6024964 RFVNLNAHTHQZNW-HXUWFJFHSA-N 417.553 5.536 0 40 HKAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(-c2ccc(Cl)cc2)o1 6045125 KEBXKYYXDOICEE-UHFFFAOYSA-N 401.293 6.106 0 40 HKAB Cc1ccc(C)c(N(CC(=O)c2ccc(Br)cc2)C2=NCCCS2)c1 8410739 AUDPXVMRMSAKBL-UHFFFAOYSA-N 417.372 5.248 0 40 HKAB CC(C)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)cc1 9265279 WMRCPLKTTSFSKB-HSZRJFAPSA-N 424.903 6.285 0 40 HKAB COCc1nn2c3c(cnc2c1-c1ccccc1)C(=O)C[C@H](c1ccc(Cl)cc1)C3 9290241 OSWBURJCOKWKAW-QGZVFWFLSA-N 417.896 5.109 0 40 HKAB COc1ccc(NC(=O)c2ccccc2NCc2c(F)c(F)c(F)c(F)c2F)cc1 9322896 OTARURLHQMGVFU-UHFFFAOYSA-N 422.353 5.255 0 40 HKAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 9494339 AVUVHHAPFKWEMT-UHFFFAOYSA-N 423.900 5.187 0 40 HKAB COc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)cc(=O)c3c2)c1 9660181 HINDESXVTQQNRB-UHFFFAOYSA-N 413.473 5.844 0 40 HKAB biogenic Fc1ccc(-n2nc(-c3cccc(Br)c3)c3cnc4ccccc4c32)cc1 9676175 YRMZCPIIQMYZBZ-UHFFFAOYSA-N 418.269 6.142 0 40 HKAB CC1CCN(CCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 10540265 UDRNJLPESVTENS-UHFFFAOYSA-N 417.018 5.484 0 40 HKAB COc1ccc(Oc2c(C)oc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1 11865238 VAPRZPVTHLOBTD-UHFFFAOYSA-N 406.409 5.620 0 40 HKAB biogenic CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 12137438 XVAPZVRKTRTBDN-QFIPXVFZSA-N 416.546 6.376 0 40 HKAB CCc1sc(-c2nnc(CSc3nc(Cc4ccccc4)c(C)[nH]3)o2)cc1C 12547411 SXYYBHGFTMJYOJ-UHFFFAOYSA-N 410.568 5.584 0 40 HKAB Cc1ccc(-c2nc(COC(=O)c3c(C)nn(-c4ccccc4)c3Cl)cs2)cc1 12639398 ISLOVXMMUFBSLJ-UHFFFAOYSA-N 423.925 5.623 0 40 HKAB Cc1cccc(C)c1OC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 13041174 IGYGYHRFYIXZIC-UHFFFAOYSA-N 412.839 5.193 0 40 HKAB Cc1cccc(COc2ccc(/C=C3\N=C(c4ccccc4Cl)OC3=O)cc2)c1 13925143 QIURQTUGNQUBGY-HMAPJEAMSA-N 403.865 5.572 0 40 HKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc1 14154734 HQAATFBGXKHSJY-UHFFFAOYSA-N 415.902 5.093 0 40 HKAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 14818578 YMQMONQJSWAQRR-UHFFFAOYSA-N 415.898 5.097 0 40 HKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 15641572 LLPLIMVWKVIMOX-UHFFFAOYSA-N 408.914 5.269 0 40 HKAB Cc1nc(-c2ccc(NC(=O)Cn3c(C(F)(F)F)nc4ccccc43)cc2)cs1 16505296 UJBJVHSQRYAGNB-UHFFFAOYSA-N 416.428 5.126 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccc(F)cc1 17092739 UFWOUBRNNTVEHQ-UHFFFAOYSA-N 421.522 5.538 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1 17094150 CCRIGYOHSBIXKY-XNTDXEJSSA-N 424.887 6.953 0 40 HKAB COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccccc3F)cc2O)cc1OC 18251473 XOHAQDFCNKFVHL-UHFFFAOYSA-N 420.440 5.185 0 40 HKAB CC(C)(C)C(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19081269 NVXHZQBAYHVEMG-LJQANCHMSA-N 415.541 5.034 0 40 HKAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1c(Cl)cccc1Cl 20107003 BBDANTULDHHWMQ-LBPRGKRZSA-N 418.773 5.464 0 40 HKAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 20140247 MBZMHRYMZWUASV-UHFFFAOYSA-N 409.747 5.569 0 40 HKAB CCOC(=O)c1cc(NC(=O)N2c3ccccc3Sc3ccccc32)ccc1Cl 20493582 XLWDRLPXLFKZNK-UHFFFAOYSA-N 424.909 6.352 0 40 HKAB O=C(Nc1cccnc1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20746015 XWCNOMMDSXKHJL-HSZRJFAPSA-N 411.505 5.167 0 40 HKAB COc1cc(CNC2CCCC2)cc(Br)c1OCc1ccc(Cl)cc1 22074231 APNVEQQHOLNPHQ-UHFFFAOYSA-N 424.766 5.722 0 40 HKAB Cc1csc(SCc2ccc(C(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)cc2)n1 23765690 PAMJCTJUBIEKGU-AWEZNQCLSA-N 418.534 5.855 0 40 HKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc2c(s1)-c1ccccc1OC2 25276743 ZBAJOKYTDHYBIO-UHFFFAOYSA-N 421.478 5.003 0 40 HKAB Cc1nc2c(-c3cccs3)nc(=O)n(Cc3ccc(Cl)cc3Cl)c2s1 32616303 RZQKWMKLVRWXGZ-UHFFFAOYSA-N 408.335 5.245 0 40 HKAB CCN(CC)[C@@H](CNC(=O)c1ccc(C2SCCCS2)cc1)c1ccccc1 32819097 TZIPNIJSUKGQND-NRFANRHFSA-N 414.640 5.368 0 40 HKAB CCN(C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1Cl 48324649 NEQBGBBXOPXWNE-UHFFFAOYSA-N 411.855 5.023 0 40 HKAB C[C@H](NC(=O)c1cc(F)ccc1-c1ccccc1)c1nc(-c2ccc(F)cc2)no1 65492069 YPISKGYLCFCHQE-AWEZNQCLSA-N 405.404 5.173 0 40 HKAB FC(F)(F)c1cccc(-c2ccc(C3=Nn4c(nnc4-c4ccco4)SC3)o2)c1 67299884 VYUJGAJZRNAXMG-UHFFFAOYSA-N 416.384 5.175 0 40 HKAB CC(C)CN1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)c1ccccc1 72215884 NSKMXUWLQCRZEE-JOCHJYFZSA-N 409.574 6.338 0 40 HKAB CCOc1ccccc1CNc1c(C(=O)N(CC)CC)cnc2ccc(Cl)cc12 72328523 JOCKMOCJBGOYBF-UHFFFAOYSA-N 411.933 5.381 0 40 HKAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 72356481 QYELRSDFFQRSRW-FQEVSTJZSA-N 411.480 5.456 0 40 HKAB O=C(CCc1ccccc1)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 72358656 FZKOQMXYZRCYBR-HXUWFJFHSA-N 405.929 5.136 0 40 HKAB Cc1nc2ccc(Br)cc2c(O)c1CN1C[C@]2(C)C[C@@H]1CC(C)(C)C2 100273206 UYIXMJFJLXYPIV-YCRPNKLZSA-N 403.364 5.412 0 40 HKAB O=C1C[C@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1cccc(Cl)c1Cl 101277089 XMIQHYAECWPSLL-LBPRGKRZSA-N 404.080 5.044 0 40 HKAB C[C@H](Nc1cc(Cl)ccc1N1CCCCC1)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102350208 WLXOVSNCIFEPSH-VKESLTNKSA-N 403.998 5.072 0 40 HKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1c[nH]c2ccccc12 102794786 SRZWDGIAMPGIAJ-RUZDIDTESA-N 413.521 6.370 0 40 HKAB C[C@H]1N2[C@@]3(c4ccccc4)O[C@@](c4ccccc4)(c4ccccc43)[C@@]12c1ccccc1 104186832 MHVFAOMRYBUSQM-UWXSKMMDSA-N 401.509 5.775 0 40 HKAB CC(C)Oc1ccccc1/C=C1\SC(=O)N(Cc2c(F)cccc2Cl)C1=O 106739813 BGJCWKDOECWSEV-ZDLGFXPLSA-N 405.878 5.503 0 40 HKAB COc1ccc(OCCNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 223458550 LTSARJYJUHNZBZ-UHFFFAOYSA-N 407.535 5.105 0 40 HKAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 223872057 IZGJTVRBMALNHQ-GOTSBHOMSA-N 413.502 5.224 0 40 HKAB COc1ccc(C(=O)NCc2ccccc2)cc1COc1ccc(-c2ccccc2)cc1 224213947 ZHOARTIBDGAODG-UHFFFAOYSA-N 423.512 5.871 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1CSc1ccccc1 224654525 JIDJRUDKQARTLP-UHFFFAOYSA-N 420.534 5.588 0 40 HKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225357162 FGWUTMAVWRQKOS-ZDUSSCGKSA-N 415.946 5.562 0 40 HKAB CO[C@H](CNC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(Cl)s1 225709619 ULYWZJLYBIYIKM-QGZVFWFLSA-N 400.931 5.178 0 40 HKAB Fc1ccc(C2(CNC(=S)Nc3ccc(OC4CCCC4)cc3)CCCC2)cc1 225811006 DSYMJMSIMCENJG-UHFFFAOYSA-N 412.574 5.946 0 40 HKAB CCCc1s/c(=N\C(=O)c2ccccc2Cl)n(CC)c1-c1ccc(C)c(C)c1 408563081 UACZOZGOVZGTSI-BZZOAKBMSA-N 412.986 6.200 0 40 HKAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 408922086 DYHOHYDYEWGDGO-UHFFFAOYSA-N 421.631 6.776 0 40 HKAB O=C1S/C(=C/c2cc(Br)ccc2O)C(=O)N1c1ccc(Cl)cc1 409189954 OHKILGMSGSUUNO-RIYZIHGNSA-N 410.676 5.049 0 40 HKAB COCCCN1C(=O)S/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O 409241912 PGCXHPPDJHTLPM-AQTBWJFISA-N 419.955 5.564 0 40 HKAB O=C(O)c1cc(-c2ccccc2)nc2cc(Br)c(Br)cc12 1857793831 DKVSWWGBRJQALD-UHFFFAOYSA-N 407.061 5.125 0 40 HKAB COc1ccc(-c2csc(N(Cc3ccco3)C(=O)c3ccccc3Cl)n2)cc1 929167 PDAHIVCGQBKMQV-UHFFFAOYSA-N 424.909 5.912 0 40 HKAB COc1ccc(NC(=O)c2ccc(CSc3cccc4cccnc34)cc2)cc1 1083528 AJBDDHUGXKHEME-UHFFFAOYSA-N 400.503 5.788 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CCN1CCCCCC1 1093168 WSVGPFPLEGVOOJ-UHFFFAOYSA-N 414.571 5.105 0 40 HKAB CCOc1ccc(C(=O)N2CCC[C@@H](c3nc(-c4ccc(C(C)C)cc4)no3)C2)cc1 1360059 AJCDZPLMSLINFJ-OAQYLSRUSA-N 419.525 5.279 0 40 HKAB Cc1cc(=O)oc2c1ccc1oc(C(=O)c3ccc(Cl)cc3)c(-c3ccccc3)c12 1840744 BJAMHTPWTMMKKB-UHFFFAOYSA-N 414.844 6.399 0 40 HKAB biogenic NC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCCCC2 2085632 WCEVRWGOCXOOFT-UHFFFAOYSA-N 418.971 5.626 0 40 HKAB CCCC(C(=O)NC(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 2183325 DUHJNVFLDMGPMC-UHFFFAOYSA-N 419.568 6.679 0 40 HKAB COc1ccc(COc2cc3oc(=O)c(Cc4ccccc4)c(C)c3cc2Cl)cc1 2348214 MHTRGJCSXAGXFB-UHFFFAOYSA-N 420.892 5.933 0 40 HKAB CCCSc1nc(NC[C@@H]2CCCO2)c2c3c(sc2n1)CO[C@](C)(CC)C3 2424761 KJXBNJDQKZQPKC-RNODOKPDSA-N 407.605 5.026 0 40 HKAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(CSc2ccc(Cl)cc2)cc1 3229468 JLMQHHBVSDVNSR-UHFFFAOYSA-N 407.844 6.302 0 40 HKAB CC(=O)c1ccc(N(Cc2cccc3ccccc23)c2nc3ccccc3s2)cc1 3300433 AXIDEKBSCWJAND-UHFFFAOYSA-N 408.526 6.990 0 40 HKAB O=C(Cc1c(Cl)cccc1Cl)Oc1ccccc1C(=O)NCc1ccccc1 3353151 FYFUTNFTQWCKNT-UHFFFAOYSA-N 414.288 5.072 0 40 HKAB CCN(CC)C(=S)S[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccc(C)cc21 4551433 XJYZQGUQQCVVSJ-UTKZUKDTSA-N 412.624 5.835 0 40 HKAB Cc1cc(Br)ccc1OCC(=O)NC1CCCCCCCCCCC1 4664519 HFVVGEBXJBDMBU-UHFFFAOYSA-N 410.396 5.926 0 40 HKAB Cc1ccc(COc2ccc(C(=S)N3CCC(Cc4ccccc4)CC3)cc2)cc1 4694077 YEWVFYWCUSXQAN-UHFFFAOYSA-N 415.602 6.204 0 40 HKAB Cc1ccc([C@H]2CC(=O)c3cnc(Nc4nc(C)c5ccc(C)cc5n4)nc3C2)cc1 4777118 IHPPURCUCMQARZ-GOSISDBHSA-N 409.493 5.001 0 40 HKAB CCC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)c(C)c2nc1Cl 4880691 AGYVVKJFJFPAJE-UHFFFAOYSA-N 410.901 5.173 0 40 HKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc(OCC(C)C)cc4)c3)nc2c1 4906736 FUFUGSDLDXBHKA-UHFFFAOYSA-N 414.505 6.399 0 40 HKAB Cc1nnc(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)n1Cc1ccccc1 4984893 KBNPVQHYUUJMFM-UHFFFAOYSA-N 411.530 5.181 0 40 HKAB CC1=C(/C=C/C2=C/C(=C/C(=O)O)C[C@H](C3=C(C)CCCC3(C)C)C2)C(C)(C)CCC1 5757429 OSJIOOWZMIEHAZ-YAAHVXRHSA-N 408.626 7.943 0 40 HKAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Br)cc3Cl)cc2)n1 6834158 PPVPFTWMZGFPHO-UHFFFAOYSA-N 404.695 5.157 0 40 HKAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 7160788 LDBZPIOGYLBXSC-QWHCGFSZSA-N 417.456 5.107 0 40 HKAB COC(=O)c1cn(C(=O)c2ccccc2SCc2ccccc2)c2ccccc12 7684770 TZJSKXARXDNAJC-UHFFFAOYSA-N 401.487 5.409 0 40 HKAB Cc1ccc(NC(=O)Cn2c([C@H](C)Oc3ccccc3)nc3ccccc32)c(Cl)c1 7738500 MKFIHBGVSYVGFM-KRWDZBQOSA-N 419.912 5.777 0 40 HKAB Cc1ccccc1-n1nc(C)c([C@H]2C=C[C@@H](OC(=O)N[C@H](C)c3ccccc3)C2)c1C 8624063 ZJFJGMYTGHQAMI-YFXJRYMSSA-N 415.537 5.697 0 40 HKAB biogenic,in-vitro CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3Cl)s2)cc1 8739696 CSWJOINLJZVSCC-UHFFFAOYSA-N 406.338 6.062 0 40 HKAB Cc1cccc(NC(=O)c2ccccc2NC(=O)Cc2csc(-c3ccco3)n2)c1 12736464 XCSKTFZVHIRYCR-UHFFFAOYSA-N 417.490 5.145 0 40 HKAB O=C(Cn1c(SCc2ccccc2)nc2ccccc21)Nc1cccc(Cl)c1 12968238 KIYMOOUXCQYGFF-UHFFFAOYSA-N 407.926 5.621 0 40 HKAB CCOc1ccccc1CCCNC(=O)c1ccccc1SCc1ccccc1 13670517 HDWOXTCRXAJKIQ-UHFFFAOYSA-N 405.563 5.740 0 40 HKAB CSc1ccc(S(=O)(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1 14155314 GJBVJWXBXQCCJA-UHFFFAOYSA-N 413.608 5.749 0 40 HKAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccc4OC)ccc3c2C)cc1 15729373 NWWFPUQGQGQBRC-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB biogenic Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3ccc(C)o3)N3CCCCC3)sc2c1 15860407 MFKFTVOOYANSIL-QGZVFWFLSA-N 416.974 5.722 0 40 HKAB Cc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1Cl 17088708 WJTIKWWQVMYKIG-UHFFFAOYSA-N 410.926 5.354 0 40 HKAB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)C(c1ccccc1)c1ccccc1 17093033 YPAIGDPTUHHKLS-UHFFFAOYSA-N 422.463 5.330 0 40 HKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20499720 PYJAPCHBSPBPFS-RUZDIDTESA-N 400.522 6.227 0 40 HKAB O=c1c2ccccc2nc(-c2ccc(-c3ccccc3)cc2)n1CCc1cccs1 20799220 WKMWWSLCSVBPSH-UHFFFAOYSA-N 408.526 6.035 0 40 HKAB CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)cc3C)sc2c1 20895010 LXSMJFXKYGDUJC-UHFFFAOYSA-N 413.568 5.383 0 40 HKAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CCCSc2ccccc21 21438754 PHJDDPDVHBEYKZ-UHFFFAOYSA-N 415.921 5.175 0 40 HKAB Cc1cccc(O[C@H](C)C(=O)Nc2cc(-c3ccc(Br)cc3)no2)c1C 27794257 ZVPCWFZLRLFQKR-CQSZACIVSA-N 415.287 5.127 0 40 HKAB Cc1ccc(OCC(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCCCC2)cc1C 28291892 PTZFSASKSGZEAE-VWLOTQADSA-N 408.586 5.149 0 40 HKAB CCn1c(SCc2cccs2)nnc(Nc2cc(Cl)ccc2Cl)c1=O 28538091 RXVSCMIWZPWOER-UHFFFAOYSA-N 413.355 5.062 0 40 HKAB Cc1ccc(CCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 30751765 UEEDZZKRAWUGCI-UHFFFAOYSA-N 405.563 5.529 0 40 HKAB CCN(CC)C(=O)C/C(=C/c1ccc(OC)c(OC)c1)c1nc2ccccc2s1 32980185 XELYSNOEUFJLPD-LGMDPLHJSA-N 410.539 5.113 0 40 HKAB Cc1ccc(NC(=O)Cn2cc(-c3ccccc3)c3ncnc(Cl)c32)cc1Cl 33268074 LYUCJZWGYKFCIB-UHFFFAOYSA-N 411.292 5.352 0 40 HKAB O=C1[C@@H]2[C@H](C(=O)N1c1cccc(Cl)c1)C1c3ccccc3C2(Cl)c2ccccc21 33379932 NPVJGFQTYBSJJL-ISQHLFTMSA-N 420.295 5.087 0 40 HKAB COc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1 33785104 KJKYTVHWYYFRGB-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB CCOc1cc(CO)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 34772877 OZSIPIDWPYJKPZ-UHFFFAOYSA-N 406.103 5.226 0 40 HKAB Cc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3cnccn23)cc1Br 35373573 YOJLNFQBVHHEGZ-UHFFFAOYSA-N 418.298 5.692 0 40 HKAB CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CNCc3c[nH]c4ccccc34)CCC[C@@]21C 35999451 WAWPYSHDONJSJL-ULNSLHSMSA-N 414.637 7.091 0 40 HKAB Cc1ccc(-c2c(C(=O)NC[C@@H]3CCCO3)sc3c2cnc2ccccc23)cc1C 45943849 AIHQQWLWUKZCFG-SFHVURJKSA-N 416.546 5.642 0 40 HKAB Cc1ccc2c(Nc3ccc(Br)c(C)c3)c(C(=O)OC(C)C)cnc2n1 49004498 TYEVYFOVFRAHKB-UHFFFAOYSA-N 414.303 5.318 0 40 HKAB Cc1sc(CNC(=O)N2CCC[C@@H](C(F)(F)F)C2)nc1-c1ccc(Cl)cc1 56790702 PAAUALXSRNTFQS-CYBMUJFWSA-N 417.884 5.256 0 40 HKAB Cc1ccc2c(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)cccc2n1 57313603 PBAGGWNMLCYNPU-UHFFFAOYSA-N 406.441 5.569 0 40 HKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc5nsnc5c4)c3C)nc2c1 57316133 ORGXPCCJPBPVFL-UHFFFAOYSA-N 414.490 5.677 0 40 HKAB CCCCOc1ccc(-c2cc(C(=O)Nc3ccc(OC)c(Cl)c3)no2)cc1 61997101 FPXVNDUMOOBNQV-UHFFFAOYSA-N 400.862 5.435 0 40 HKAB COc1ccc(-c2nn(-c3ccccc3)cc2CNc2ccc(F)c(Cl)c2)cc1 68603304 PYPCAQOEYNNOLA-UHFFFAOYSA-N 407.876 5.953 0 40 HKAB biogenic CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2C)cc1Cl 72332643 YBEJGCJYDDAMPR-WIOPSUGQSA-N 418.924 6.289 0 40 HKAB O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)N1CCC[C@@H]1c1ccccc1Cl 84502321 GOACAJGQFVZKIH-QHAWAJNXSA-N 402.897 5.246 0 40 HKAB COc1cc(O)cc(NC(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)c1 95468879 CVWDIANCTIQKOW-UHFFFAOYSA-N 400.434 5.284 0 40 HKAB C[C@]12C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]1C2(c1ccccc1)c1ccccc1 101199282 GCWGEOBAZDSDOX-NZQKXSOJSA-N 421.418 5.201 0 40 HKAB CCOc1ccc([C@@H]2C=C(c3cccs3)Nc3nc4ccccc4n32)c(OC)c1 101353641 AKOJRGZZRGTZEO-FQEVSTJZSA-N 403.507 5.561 0 40 HKAB Cc1ccc([C@H]2C=C(Nc3ccc(C(C)C)cc3)C(=O)N2c2ccc(C(C)C)cc2)cc1 103768071 ZMQOGHLJIGPYPK-MUUNZHRXSA-N 424.588 7.326 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCC1 222685951 PSWXBGDTQCUPEF-UHFFFAOYSA-N 402.947 5.087 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 222904703 INYQWAUGAJXVQL-AREMUKBSSA-N 415.577 6.371 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223344937 DYKGPIUYJUTCGE-NTKDMRAZSA-N 419.565 6.315 0 40 HKAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1C 223397588 FQLLWUFKHBKHLG-IBGZPJMESA-N 424.009 7.049 0 40 HKAB COc1cccc(OCc2cc(C(=O)Nc3cccc(SC)c3)ccc2OC)c1 224255799 AFCJDBWCPRQKMV-UHFFFAOYSA-N 409.507 5.257 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccc(C)cc1 224473125 HGTLRLKTSSPBIB-NRFANRHFSA-N 417.549 5.724 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1CSc1ccc(C)cc1 224669169 AVVOGRVWUGVSTF-SFHVURJKSA-N 423.553 6.316 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3c(F)cccc3F)o2)cc1 224909289 YBDBNHANZSDXFU-UHFFFAOYSA-N 406.388 5.548 0 40 HKAB CCc1ccc(CC)c(CNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 225254740 QWFJFMXGOMDROF-JJIBRWJFSA-N 403.953 6.322 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1 225581672 INRUIQSWONYPSG-UHFFFAOYSA-N 422.352 5.715 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CCCC2)cc1 225681041 IRZNPNWKCGLLKE-UHFFFAOYSA-N 401.550 6.634 0 40 HKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225745126 SLESWSKNIAROBD-GBXCKJPGSA-N 404.595 5.254 0 40 HKAB COc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(Cl)cc2Br)o1 227147926 ALEHPMGZCHVTDM-UHFFFAOYSA-N 421.678 5.206 0 40 HKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)c3cc(C(C)(C)C)nn3C)C2)n1 257265170 LXPQKWHPRYIHNX-HXUWFJFHSA-N 416.569 5.108 0 40 HKAB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1cccc(C)c1 408559639 AMVBYUZNTILRKL-XDOYNYLZSA-N 415.356 5.357 0 40 HKAB COc1ccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1 408585628 GPRNFESVRSGUHC-UHFFFAOYSA-N 412.283 5.289 0 40 HKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)/C=C/c1ccco1 408626479 HNSJTVFPAGPUNC-DHZHZOJOSA-N 402.450 5.872 0 40 HKAB O=C(Nc1cccc(F)c1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 408698137 OAVNCDFVZVZQLP-UHFFFAOYSA-N 410.811 5.118 0 40 HKAB COc1ccc(Br)cc1[C@@H]1Nc2ccc(Cl)cc2[C@@H]2OCCC[C@H]12 409190566 SIGXAKNSBGNGFV-UPRAQXHNSA-N 408.723 5.746 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 409190877 AHFIIWZXBOAQPQ-HCZVKUGISA-N 417.914 5.767 0 40 HKAB O=C(COC(=O)c1ccccc1Cl)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409198283 BQABOWHDGQVKPW-UHFFFAOYSA-N 423.940 5.603 0 40 HKAB Cc1cccc(NC(=O)COc2ccc(CNc3cc(C)ccc3C)cc2Cl)c1 409265203 RHYOBGQRBUYLKL-UHFFFAOYSA-N 408.929 5.895 0 40 HKAB O=C(OCCCCc1ccccc1)c1ccc(OCCCCc2ccccc2)cc1 2362797665 QGKWOXLTRDFOAQ-UHFFFAOYSA-N 402.534 6.268 0 40 HKAB COc1ccccc1NC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 1371241 YNEQLUCXRPIFDP-UHFFFAOYSA-N 419.525 5.130 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccs2)sc(C)c1-c1ccc(Cl)cc1 1791020 WFCANUAUAVPGAC-UHFFFAOYSA-N 405.928 5.867 0 40 HKAB Cc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3ccc(-c4ccccc4)cc3)c1-2 1825379 JRMQBHJBZCDZSP-LCUIJRPUSA-N 414.599 7.345 0 40 HKAB Cc1ccc2sc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc2c1 1908404 NAWMEXVOSWRJPX-UHFFFAOYSA-N 423.335 6.287 0 40 HKAB Cc1ccc(C)c(CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)c1 2242043 XMJSEHBFYLTHJB-UHFFFAOYSA-N 406.942 5.892 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCc3cccc(Br)c3)n2N)cc1 2387241 CNMCWFULOMMXNP-UHFFFAOYSA-N 417.376 5.011 0 40 HKAB CCOc1ccc2nc(SCC(=O)Nc3nc4c(C)cccc4s3)sc2c1 2732928 OJYKSSOBHQRONE-UHFFFAOYSA-N 415.565 5.344 0 40 HKAB CCOP(=O)(OCC)[C@H](NC(=O)Nc1c(C)cc(C)cc1C)c1ccccc1 3189548 PZQKZUUIMGRCMY-FQEVSTJZSA-N 404.447 5.698 0 40 HKAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc(Cl)cc1Cl 3259606 MHLZMVHABHBLFG-KUHUBIRLSA-N 424.324 5.378 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](C)NC2CCCCCCC2)sc2c1CC[C@@H](C)C2 3377687 WQIMAKRVQZQHEN-CVEARBPZSA-N 420.619 5.079 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(S[C@@H](C)C(C)=O)ncnc32)cc1 3658758 ITYYBSFFDDQBQJ-INIZCTEOSA-N 403.507 5.166 0 40 HKAB Fc1ccc(N2N=C(c3cccs3)C[C@@H]2c2ccc(Cl)cc2Cl)c(F)c1 4322697 VRDKNQCXSZGDNX-GOSISDBHSA-N 409.288 6.689 0 40 HKAB CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(F)cc1 4550834 DGOQINLILKOVCF-BYPCIHSKSA-N 418.512 5.819 0 40 HKAB Cc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@]2(C)C3(Cl)Cl)cc1 4686078 WMVAPGMEZFZUIW-XPWALMASSA-N 413.319 6.748 0 40 HKAB COc1ccc(NC(=O)c2cc3cc(Oc4cccc(C)c4)ccc3[nH]2)c(OC)c1 4702642 QNEZRKDGFBNSAI-UHFFFAOYSA-N 402.450 5.538 0 40 HKAB O=c1c(Cl)c(Nc2ccc(F)c(Cl)c2)cnn1C12CC3CC(CC(C3)C1)C2 4927568 VJLVWFPPMSQIOR-UHFFFAOYSA-N 408.304 5.358 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)c3c2cnc2cc(C(F)(F)F)ccc23)cc1 4970069 FZMKOBXRRFVAMI-UHFFFAOYSA-N 403.407 6.568 0 40 HKAB COc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccc(F)cc2)cc1O 5144441 GLCRLCRKBDQABE-UHFFFAOYSA-N 406.413 5.301 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Oc1ccccc1 6249468 MYBLNMDOKGMAKH-AWEZNQCLSA-N 402.277 6.192 0 40 HKAB CCCCN(C)c1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CCC3 6310319 FERSBQLCKHNKHT-UHFFFAOYSA-N 400.617 5.810 0 40 HKAB Cc1ccc(OCc2ccc(C(=O)Oc3ccc(-c4cccc(C)c4)cc3C)cc2)cc1 6479758 BOGFLWPCEQBWEP-UHFFFAOYSA-N 422.524 7.077 0 40 HKAB CCc1ccc(-c2cc(C(=O)NCc3ccncc3)c3cc(Cl)ccc3n2)s1 6570482 FAMPLVRGDRDXIM-UHFFFAOYSA-N 407.926 5.504 0 40 HKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)Nc1ccccc1F 6648912 PNROERCCLMFMTO-UHFFFAOYSA-N 407.445 5.306 0 40 HKAB CC(C)c1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 6752791 KLDHESRWJABTGG-DEOSSOPVSA-N 413.477 5.244 0 40 HKAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(OCCC(C)C)c1 6752957 WNOFILFJNBNDKL-DEOSSOPVSA-N 419.525 5.162 0 40 HKAB CC(C)c1ccc(Nc2nnc(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)s2)cc1 6784835 PLBZUZVYVVMRTL-GJZGRUSLSA-N 404.605 5.002 0 40 HKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1Cl 7007590 YANFANUNHAPHOX-UHFFFAOYSA-N 414.288 5.307 0 40 HKAB COc1ccc(-n2c(SCc3cc(C)on3)nnc2-c2ccccc2)cc1Cl 7371574 JIKYIEDTGKGKGX-UHFFFAOYSA-N 412.902 5.185 0 40 HKAB O=C(CCc1nc2ccccc2o1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 7988069 JJWWCLAHOVKLGW-UHFFFAOYSA-N 417.431 5.408 0 40 HKAB Cc1ccc(NC(=O)/C=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 8781798 CVMMRJAERHLUEP-OVCLIPMQSA-N 422.322 5.988 0 40 HKAB COc1cccc(C2=N/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C(=O)O2)c1 8983413 OJJKWVSXUPJTMA-LPYMAVHISA-N 419.864 5.272 0 40 HKAB Cc1cccc(NC(=O)[C@@H]2CCCc3sc(NC(=O)c4ccccc4)nc32)c1C 9072116 ZXZIRQPDZAXMKS-QGZVFWFLSA-N 405.523 5.071 0 40 HKAB COc1ccc(-c2noc(CN(C(=O)Nc3cccc4ccccc34)C(C)C)n2)cc1 9227084 RBBSDKBAMIMTRF-UHFFFAOYSA-N 416.481 5.341 0 40 HKAB Fc1ccc([C@@H]2C[C@@H](c3cccc(Br)c3)n3c(nc4ccccc43)N2)cc1 9292485 QSULNCBFCZISDR-FPOVZHCZSA-N 422.301 6.084 0 40 HKAB CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1ccc(C)c(C)c1 9645882 SXKDVYGQMDGQMS-UHFFFAOYSA-N 415.536 5.009 0 40 HKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 12137437 XVAPZVRKTRTBDN-JOCHJYFZSA-N 416.546 6.376 0 40 HKAB CC(C)C(=O)N1CCCc2cc(-c3csc(NC(=O)c4ccccc4F)n3)ccc21 12220061 QHXMWKOBPVPKAE-UHFFFAOYSA-N 423.513 5.137 0 40 HKAB COc1cccc(C(=O)CSc2ncc(-c3cc(C)no3)c(-c3cccs3)n2)c1 12233164 ZQISEXCMYQPPGJ-UHFFFAOYSA-N 423.519 5.152 0 40 HKAB Ic1ccccc1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 12555137 JOYVLWHBAWDLNC-LJQANCHMSA-N 423.257 5.280 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](N[C@H](C)c2ccc(-n3ccnc3)cc2)c2ccccc2)c1 12628815 PHLYOGOQMXAWIW-RLWLMLJZSA-N 424.548 5.520 0 40 HKAB CCOc1cc2c(cc1NC(=O)c1sc3cc(F)ccc3c1Cl)O[C@@H](C)C2 12783271 YPMZTOFMYIZPHD-JTQLQIEISA-N 405.878 5.668 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1Oc1cccc(C)c1 12803334 LVGMLLPABRUUSQ-DEOSSOPVSA-N 412.489 5.690 0 40 HKAB Cc1c(Cl)cccc1-n1c(-c2ccncc2)nn(CN2CCC[C@H](C)C2)c1=S 13097638 KJXGDTZRDLTGEP-HNNXBMFYSA-N 413.978 5.117 0 40 HKAB COc1cccc(-c2nc(/C=C(\C#N)c3nc(-c4ccccc4Cl)no3)cs2)c1 15513896 WDJWVSROAITKFY-NTEUORMPSA-N 420.881 5.586 0 40 HKAB CCOC(=O)CSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 16757723 ZMIXRXDLHZDABY-UHFFFAOYSA-N 403.507 5.051 0 40 HKAB Cc1cccc(-c2nn(Cc3cc(C)ccc3C)c(-c3cccc(C)c3)c2Cl)c1 17082113 URVCWZQEUYUQLB-UHFFFAOYSA-N 400.953 7.152 0 40 HKAB Clc1ccccc1/C=C/c1cc(-c2ccccc2Cl)nc2cc3c(cc12)OCO3 18197268 SAGSTNZXNJTWKR-MDZDMXLPSA-N 420.295 7.108 0 40 HKAB Cc1cccc(CN(Cc2ccccc2)C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)n1 19654749 GAXXUIXHWKJBFM-UHFFFAOYSA-N 424.426 5.128 0 40 HKAB CCOC(=O)c1cc(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)ccc1Cl 20457108 JBGQFPWMPYAXPJ-KRWDZBQOSA-N 412.338 5.680 0 40 HKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Br)cc1F 21595548 UEOQTOPZDSEBTN-UHFFFAOYSA-N 408.311 5.682 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2oc3c(C)c(C)ccc3c2C)N2CCC(C)CC2)o1 21659840 LBWVGLODZKNUSY-OAQYLSRUSA-N 408.542 5.462 0 40 HKAB Cc1cc(CSc2ncccc2C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)no1 26367192 GFJWMXMIZGFNBX-GFCCVEGCSA-N 422.337 5.468 0 40 HKAB Cc1ccc(NC(=O)CSc2ccccc2NC(=S)Nc2ccccc2)cc1C 27028026 YXNZPVJHBBNJEB-UHFFFAOYSA-N 421.591 5.843 0 40 HKAB Cc1ccccc1-n1c(S[C@@H](C)c2nc(C(C)C)no2)nc2ccccc2c1=O 27775089 IHXYPAFRXCWIFP-HNNXBMFYSA-N 406.511 5.054 0 40 HKAB O=C(c1ccco1)N(Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccn1 28288271 JTSXGMZBFGIUPG-UHFFFAOYSA-N 418.880 5.754 0 40 HKAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)NC1CCCCC1 28306102 KEVFSWIPFZGQFZ-UHFFFAOYSA-N 410.440 5.009 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(OC)c(Cl)cc1OC 30756906 NXIZZJDCSVASQS-QGZVFWFLSA-N 400.327 5.520 0 40 HKAB O=C(c1ccc(SCc2cn3ccccc3n2)cc1)N(Cc1ccccc1)C1CC1 31070924 YPOOOBIOCDKVPO-UHFFFAOYSA-N 413.546 5.431 0 40 HKAB O=C(COc1cccc(-c2noc(-c3ccccc3)n2)c1)Nc1ccccc1Cl 33327230 IPPWMDUEMBVNLP-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB Cc1cccc(CN2CCC(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)c1 39755240 YRLSAEMMMWTVCF-UHFFFAOYSA-N 411.760 5.806 0 40 HKAB COc1cccc(C(=O)[C@H](C)OC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 41125381 UOAMQPZWJZFRAM-KRWDZBQOSA-N 411.457 5.339 0 40 HKAB Cc1c2c(cc3c4c(c(=O)oc13)CCCCC4)CN(Cc1ccccc1Cl)CO2 55393830 FCRXBODEGDOIKD-UHFFFAOYSA-N 409.913 5.376 0 40 HKAB COc1ccc(NCN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1Cl 59457370 VZFRUPLEONQYQC-VXLYETTFSA-N 416.930 5.578 0 40 HKAB O=c1c2sccc2nc(SCc2cc(F)cc(F)c2)n1Cc1ccccc1F 67259907 KAQFZNRLNMSEJF-UHFFFAOYSA-N 418.465 5.216 0 40 HKAB CCc1ccccc1Nc1nc(C)c(C(=O)NCc2cccc(C(F)(F)F)c2)s1 71326554 QESQZQOGJJDODJ-UHFFFAOYSA-N 419.472 5.706 0 40 HKAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 71844205 LBIFKJXOAUIKIP-VXKWHMMOSA-N 414.590 5.208 0 40 HKAB O=C(CCCc1ncc(-c2ccccc2)o1)Nc1ccc(CNc2ccccc2)cc1 72311623 MHUVDWNRZDIOGD-UHFFFAOYSA-N 411.505 5.915 0 40 HKAB Cc1nc(COc2cccc(NC(=O)c3ccco3)c2)oc1-c1ccc(Cl)cc1 79104345 ZTCMFMHECJXMBR-UHFFFAOYSA-N 408.841 5.728 0 40 HKAB Cc1cccc(NC(=O)c2ccc3onc(-c4csc(-c5ccccc5)n4)c3c2)c1 96037891 QEBAAGFWXQAJLB-UHFFFAOYSA-N 411.486 6.179 0 40 HKAB CC(C)(C)c1ccc(OCc2nn3c(-c4cc5ccccc5o4)nnc3s2)cc1 96193890 ZUUHNISXEIWEMY-UHFFFAOYSA-N 404.495 5.476 0 40 HKAB COc1ccc(NC(=O)c2ccc3c(c2)[C@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)cc1 100845354 RQVPWBZWWKETMY-POPDLAIHSA-N 424.544 6.244 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 104389993 TUSXZTCDJYJYBO-YUXAGFNASA-N 420.852 5.417 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2cccc3ccccc23)cc1Cl 216187412 VJDTUZOAXOMFRL-FQEVSTJZSA-N 411.885 5.466 0 40 HKAB CC1(C)C[C@H](NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2O1 218990735 DINZWRXESNQUST-QFIPXVFZSA-N 421.924 5.951 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c2ccccc2O1 223154496 VOQTYRLTGAZKMF-PGRDOPGGSA-N 409.570 5.950 0 40 HKAB COc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)s2)cc1 223331902 JUFAWSUXQROAHC-HNNXBMFYSA-N 411.527 5.052 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccc(OC)cc1 224598129 WOKWLLQHBSINNX-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB Cc1cc(NC(=S)NCCSCc2ccccc2F)ccc1Br 225412412 UFXIATXXKUUYMX-UHFFFAOYSA-N 413.381 5.116 0 40 HKAB CC[C@@H](C)Oc1c(C)cc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C 225578555 PCNJLBJSBFJLHB-GOSISDBHSA-N 415.961 5.821 0 40 HKAB COC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCCC2)ccc1OCC(C)C 225755424 UVHKIFMXVGYSKL-UHFFFAOYSA-N 409.526 5.349 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c2ccccc12 225763378 HBMPZIBOGVBZAS-UHFFFAOYSA-N 419.540 6.998 0 40 HKAB Cc1ccc([C@H](NC(=S)Nc2ccc3c(c2)OCCO3)c2ccccc2)c(C)c1 225768303 HUAHYHRFOQRXSE-HSZRJFAPSA-N 404.535 5.151 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ncccc34)CCCCC2)c1 225866804 KPTOMABGENIACW-UHFFFAOYSA-N 416.565 6.419 0 40 HKAB COc1cccc(C(=S)N2CCC(C)CC2)c1OCc1c(F)cccc1Cl 408577061 RDIZHWDKPAAIHS-UHFFFAOYSA-N 407.938 5.474 0 40 HKAB Cc1cc(C)cc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)c1 408620196 KZFDGMZNLHMOGW-UHFFFAOYSA-N 402.881 5.698 0 40 HKAB Cc1cc(Br)ccc1NC(=O)COc1ccc(C2CCCCC2)cc1 408620634 IAZNNTFPQJWVEO-UHFFFAOYSA-N 402.332 5.823 0 40 HKAB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)cc1 408640867 KAXFBPJCXASWTO-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB Fc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccc(Cl)cc2)cc1 409108294 ZNWGFKUSSATXSK-UHFFFAOYSA-N 413.880 6.158 0 40 HKAB O=C1S/C(=C/c2ccc(Br)s2)C(=O)N1c1cccc(Cl)c1 409200810 JTJWCHYEHMAAMC-YRNVUSSQSA-N 400.706 5.405 0 40 HKAB Cc1ccccc1CSCC(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 693054 QESOECYMVRTNAO-UHFFFAOYSA-N 415.518 5.584 0 40 HKAB CCCCC(=O)Oc1cc2c(C(=O)OCC)c(C)n(CCCC)c2c2ccccc12 1797847 QZXPYAFYWRJFRQ-UHFFFAOYSA-N 409.526 6.175 0 40 HKAB O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 1863096 VLTZRKJEGGIZHK-FMIVXFBMSA-N 409.272 6.454 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC 1904350 VPJRHWHYCRCOAL-UKTHLTGXSA-N 421.880 5.240 0 40 HKAB Cc1cc(NC(=O)c2cccc(Cl)c2Cl)ccc1-c1cc2ccccc2oc1=O 2050806 MMSKYZBRXXGYPU-UHFFFAOYSA-N 424.283 6.328 0 40 HKAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)cc1C 2074131 RKAJRHNEHGCJPN-UHFFFAOYSA-N 417.509 5.784 0 40 HKAB O=c1cc(-c2ccccc2)c2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc2o1 2300522 MWOAFYUHKVSLAB-UHFFFAOYSA-N 418.317 5.735 0 40 HKAB CCOc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4)cc2-3)OCO5)cc1 2688709 TUPYUTYJNGCRPC-UHFFFAOYSA-N 423.472 5.379 0 40 HKAB CCc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(C)C(=O)c1ccccc1F 3067678 RREXICKABUBOLY-HSZRJFAPSA-N 404.485 5.149 0 40 HKAB O=C(Nc1nc2ccc(SC(F)F)cc2s1)C1(c2ccccc2F)CCCC1 3236014 NGSLBTBHPLIVKB-UHFFFAOYSA-N 422.497 6.201 0 40 HKAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(N(CC)C(C)C)cc2)cc1OCC 3282398 IOLOOJZPJQXPPC-MHWRWJLKSA-N 410.558 5.761 0 40 HKAB O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(-c2ccccc2Br)o1 3329792 GGLMFKGCSROWGD-BOPFTXTBSA-N 412.214 5.193 0 40 HKAB COc1ccc(-c2coc3c(C)c4oc(=O)c(Cc5ccccc5)c(C)c4cc23)cc1 4029357 RZCXPQYSNGNJFR-UHFFFAOYSA-N 410.469 6.422 0 40 HKAB biogenic CC[C@H]1[C@@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 4663288 ATZURZTXUAWVPY-OUPRXKBMSA-N 404.941 6.568 0 40 HKAB CCc1ccc([C@@H]2CC(=O)c3c([nH]c(C(=O)OCCOc4ccccc4)c3C)C2)cc1 4911889 BVISFLNVCYDHMM-FQEVSTJZSA-N 417.505 5.034 0 40 HKAB O=C(Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12)c1cccc(F)c1 5106993 YLFDAEAPNHBRBU-UHFFFAOYSA-N 410.351 5.355 0 40 HKAB Cc1c(CC(=O)NCc2ccccc2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 5235702 KHFJDVUYQAOSDQ-UHFFFAOYSA-N 417.505 5.312 0 40 HKAB CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc(C)cc3)sc2c1 5265139 AKKCHVONWJBGRM-UHFFFAOYSA-N 403.507 5.245 0 40 HKAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3csc(-c4ccccc4)n3)c2)C1 5563079 IYYXYVNPVRMPNY-IAGOWNOFSA-N 412.580 5.144 0 40 HKAB CCCOc1ccc(-c2csc(NC(=O)c3cc4ccccc4cc3OC)n2)cc1 5597605 CYPLFASPQPGYIZ-UHFFFAOYSA-N 418.518 6.013 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCCCc3ccccc3)cc12 5699634 GMLZCFUWPBGASJ-UHFFFAOYSA-N 409.942 5.411 0 40 HKAB CCc1nc2ccccc2c(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c1C 6078991 XZHFIWNIKAYONY-UHFFFAOYSA-N 409.485 5.812 0 40 HKAB Cc1ccc(N(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 6426748 YMJUHRMDPJMLAY-UHFFFAOYSA-N 403.906 5.491 0 40 HKAB Cc1noc(C)c1CSc1ccccc1C(=O)N[C@@H]1CCSc2ccccc21 6848989 MDUAHPQCCKAOOW-LJQANCHMSA-N 410.564 5.551 0 40 HKAB COc1ccc(C2=NN(c3cccc(Cl)c3Cl)[C@@H](c3ccc(F)cc3)C2)cc1 6995515 NJXHEZGJBVVWBL-OAQYLSRUSA-N 415.295 6.497 0 40 HKAB C[C@@H](NCc1ccc(-c2ccc(Cl)cc2Cl)o1)C12CC3CC(CC(C3)C1)C2 7538748 SVMMIANTOXUSTL-KWJFTMPMSA-N 404.381 6.948 0 40 HKAB Cc1c(Cl)c(CSc2nnc(-c3cccnc3)n2C2CC2)nc2ccccc12 7799608 FGGPVUJTGMOMHU-UHFFFAOYSA-N 407.930 5.477 0 40 HKAB Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 8475636 XDLYLLIOXDWQGO-UHFFFAOYSA-N 402.281 5.048 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)CC45CC6CC(CC(C6)C4)C5)ccc3o2)c(C)c1 9189847 MQSYIVJBEPNGSR-UHFFFAOYSA-N 414.549 6.657 0 40 HKAB O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccc(C(=O)c2ccccc2)cc1 9446352 ULUHPDJYBKZSDK-UHFFFAOYSA-N 419.893 5.342 0 40 HKAB CCOc1cc(C(=O)Nc2nc3c(F)cc(F)cc3s2)cc(OCC)c1OCC 9599509 OCJKBYOYROXEEE-UHFFFAOYSA-N 422.453 5.023 0 40 HKAB Cc1cc(NC2CCCCC2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 10493610 KTIHLSWDVFROTC-UHFFFAOYSA-N 408.855 6.122 0 40 HKAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4c(C)cccc4C)sc3n2)cc1 12250924 KQDTXPGFHIEIPB-UHFFFAOYSA-N 403.507 5.423 0 40 HKAB Cc1cc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c2ccccc2n1 12799063 VHSHOZOIOSKPDK-UHFFFAOYSA-N 418.884 5.051 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1sc(COc2ccc(C)cc2)nc1C 12972354 KAONMVIKPIWJBE-UHFFFAOYSA-N 402.903 5.253 0 40 HKAB O=C(Cc1ccc(Br)cc1)OCc1cc(-c2ccc(Cl)cc2)no1 13001598 PTKKYVNNHRVYPT-UHFFFAOYSA-N 406.663 5.043 0 40 HKAB C[C@@H](SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)NCc1ccccc1Cl 13012193 XZTJVQWJEHBAJN-CYBMUJFWSA-N 421.349 5.587 0 40 HKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Br)c(Cl)c1 13708578 RWUXTAKYJWGEIW-LBPRGKRZSA-N 404.691 5.662 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccccc2C(F)(F)F)cc1 14866787 ATKOHPRSCHIPCK-UHFFFAOYSA-N 421.802 6.412 0 40 HKAB O=C1C[C@H](c2c(F)cccc2Cl)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15082795 VPBMTMNTDWWLBB-LLVKDONJSA-N 419.836 5.519 0 40 HKAB COc1ccc(-c2nc(C)c(-c3ccc(SCc4ccccc4)nn3)s2)cc1 16838429 GAQSHSKDPYQWGX-UHFFFAOYSA-N 405.548 5.876 0 40 HKAB CCOc1ccc(-c2nnc(SCc3ccccc3)n2Cc2ccccc2)cc1 16851365 IEWOKNJHKYXNJL-UHFFFAOYSA-N 401.535 5.684 0 40 HKAB O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc2ccccc2c1 17093143 FXKHDRXNFLYCOV-UHFFFAOYSA-N 422.513 5.510 0 40 HKAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 20044191 NHZUTGKLVFTQKT-SFHVURJKSA-N 407.535 5.702 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(C(=O)O)ccc3Cl)o2)cc1Cl 20145461 VMRLHMAGNINNCA-RMKNXTFCSA-N 416.260 5.912 0 40 HKAB O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(Cl)cc2Cl)=NC12CCCC2 20152239 FTINFRBIFVAVRL-UHFFFAOYSA-N 421.324 5.675 0 40 HKAB Cc1cc2nc(-c3ccc(Cl)c(NC(N)=S)c3)oc2c(Br)c1C 20156926 ZYYZTYZEBVVSNJ-UHFFFAOYSA-N 410.724 5.183 0 40 HKAB Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)Nc2ccccc2Cl)n1 21524668 CSEBNAXRQLMYHE-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccccn1)N1C(=N2)C=Cc2ccccc21 21540629 IQTIKXOUVMZRMZ-XMMPIXPASA-N 423.907 5.896 0 40 HKAB O=C1c2cccc3cccc(c23)N1CN1CCc2sccc2[C@H]1c1cccs1 23855512 AQVSHKQPFTZPKJ-QFIPXVFZSA-N 402.544 5.528 0 40 HKAB CCCOc1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c2cccnc12 28290791 RSVNCAQRFQSCJR-MRXNPFEDSA-N 412.917 5.700 0 40 HKAB O=C(Nc1c(-c2ccc(F)cc2)nc2sccn12)c1nc(-c2ccccc2)cs1 32915813 XGQSYUVWJLNNBM-UHFFFAOYSA-N 420.494 5.578 0 40 HKAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 38754405 ZQKMHEPIBSHAKG-RBUKOAKNSA-N 416.521 5.146 0 40 HKAB Cc1nc2ccccc2nc1COC(=O)c1c(-c2c(F)cccc2Cl)noc1C 39610505 GBPPDKZWQCAWJY-UHFFFAOYSA-N 411.820 5.051 0 40 HKAB COc1ccc(CN2C(=O)C(O)=C(c3ccc(F)cc3)[C@@H]2c2ccccc2F)cc1 40485813 GGHVOOLGZDGBBJ-QFIPXVFZSA-N 407.416 5.026 0 40 HKAB O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1Cl 57486717 RXAHOJQUJJRQKR-UHFFFAOYSA-N 413.264 5.151 0 40 HKAB CCCCN(CC(F)(F)F)C(=O)CCc1nc2ccccc2n1-c1ccccc1 59252532 URQZFSUPNGTNHN-UHFFFAOYSA-N 403.448 5.149 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccc(Cl)cc1 67190064 HZJAFRAVJPVAFW-ROMGYVFFSA-N 409.272 6.224 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(Cl)ccc2F)nc1 67296644 JSXVYDNWINOGGA-ROMGYVFFSA-N 407.832 5.413 0 40 HKAB CC(C)n1ncc2c1N=C(O)CS[C@H]2c1ccc(OCCc2ccccc2)cc1 95476205 XDRJUEHQTKOAOQ-QFIPXVFZSA-N 407.539 5.510 0 40 HKAB COc1cccc(-c2ccc3nc(C4CCN(Cc5ccc(C)s5)CC4)nn3c2)c1 96038224 URQYUOPMUQPAOW-UHFFFAOYSA-N 418.566 5.154 0 40 HKAB Brc1ccc(C2=C[C@@H](c3cccs3)n3c(nc4ccccc43)N2)s1 101089840 HQFGGGVVKHTFDP-AWEZNQCLSA-N 414.353 5.978 0 40 HKAB CCCCCOc1ccc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1 102861237 PAUJGAWADQBATB-VWLOTQADSA-N 404.554 7.127 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)C[C@H](O)CC[C@]34C)[C@@H]1C[C@@H](CN1CCCCC1)C2=O 118915074 YHCZRFRDIZKNKD-LQWADKFHSA-N 401.635 5.061 0 40 HKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 222670900 JDTMOJDAUUQOGX-HXUWFJFHSA-N 416.565 5.104 0 40 HKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1 223787532 KSQRRJINMAQLOQ-FCHUYYIVSA-N 406.555 5.040 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccccc1Oc1ccccc1 224037568 AICWWENXGAGACW-UHFFFAOYSA-N 401.890 6.143 0 40 HKAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccccc1C(C)(C)C 224172925 OIZUOXKCQBRCQN-UHFFFAOYSA-N 417.549 5.844 0 40 HKAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccc(C(C)(C)C)cc1 224188633 LTUMPXWWDKXENC-UHFFFAOYSA-N 421.512 5.641 0 40 HKAB Cc1ccc([C@H](NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c2ccccc2)cc1 225289601 NBCFVSDACOEUPQ-AREMUKBSSA-N 409.533 5.376 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)NCCSCc1c(F)cccc1Cl 225370201 DUHVRPQTKIUSEU-UHFFFAOYSA-N 420.764 5.768 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1 225581602 BHCLBSAUHGQJGM-UHFFFAOYSA-N 422.352 5.859 0 40 HKAB CC(C)(C)OC(=O)N1CC[C@H]2O[C@@](C)(Cc3cccc(C(F)(F)F)c3)CC[C@H]2C1 257233895 GRFDYOROLQNRNO-YRISNDGFSA-N 413.480 5.443 0 40 HKAB O=C(c1nccc2ccccc12)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257271424 MYGWVDXDYCIRNO-JOCHJYFZSA-N 415.468 5.320 0 40 HKAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2ccc(Cc3ccc(F)cc3)nc2)cc1 257295759 QZSBUKZFOVVGPH-RUZDIDTESA-N 418.512 5.116 0 40 HKAB COc1ccc(CCNC(=S)c2ccc(OCc3ccccc3Cl)cc2)cc1 408571680 CJEJRLJFKFTDHP-UHFFFAOYSA-N 411.954 5.435 0 40 HKAB O=C(O)c1cccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1 408604550 DUNYUCUKLNEZGS-UHFFFAOYSA-N 402.277 5.883 0 40 HKAB COc1ccc(S(=O)(=O)NC(c2ccccc2)c2ccccc2)c(Cl)c1Cl 408622755 QZSMUILZAIIQKB-UHFFFAOYSA-N 422.333 5.070 0 40 HKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 408629242 RQUJJFCJOJVGQR-FQEVSTJZSA-N 400.522 5.897 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(Cl)cc2)cc1 408698116 NTEAALFXKNPGOY-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2cc(Cl)ccc2C)c1 408698846 SFFDITSKMUQWRC-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(OCCCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 408703462 SBCOQWLHUHRJTG-FQEVSTJZSA-N 416.521 5.284 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1cccc(C(F)(F)F)c1)[C@@H]1Cc3ccccc3[C@@H]21 408993646 DUELBAKYOFUDOV-QHAWAJNXSA-N 409.407 5.875 0 40 HKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc3ccccc23)cc1 409114989 JJHHSENYUDNNRX-UHFFFAOYSA-N 422.355 7.646 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 409375263 IACLLRCTDOVLEB-NRFANRHFSA-N 424.497 5.173 0 40 HKAB CC(C)c1cc(Br)c2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 575421859 CEIUPEPOORCVBF-UHFFFAOYSA-N 403.323 6.850 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)C[S@@](=O)[C@H](c1ccccc1)c1ccc(F)cc1 576055759 FSDNFGYAPRTWEF-SKCUWOTOSA-N 415.917 5.264 0 40 HKAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)c3ccccc3Cl)CC2)cc(C)c1Cl 2037912493 LPZXKALLPBTTAQ-JOCHJYFZSA-N 422.352 5.046 0 40 HKAB CCn1c(CNc2ccc(C)cc2C)nnc1SCc1c(F)cccc1Cl 899217 KEVXYIVBTKSFDK-UHFFFAOYSA-N 404.942 5.612 0 40 HKAB O=C(Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2)c1ccccc1Cl 1105879 JXHFLIXVZFHXDZ-UHFFFAOYSA-N 414.914 5.056 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccccc4C)c3)nc2c1 1859067 YNVWQYNQPIFWFD-HNNXBMFYSA-N 418.924 7.222 0 40 HKAB Cc1cc2c(cc1C)CSC(c1ccccc1OC(=O)Cc1ccccc1)SC2 2060394 HJXBUYOZZPKOEK-UHFFFAOYSA-N 420.599 6.630 0 40 HKAB CC(C)CCOC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 2247079 COPCDOGJIJJAOW-UHFFFAOYSA-N 408.889 5.012 0 40 HKAB CCC(=O)N(CC[C@H](Cc1ccccc1)c1ccc(OC)cc1)Cc1ccccc1 2329106 JLTGAOBJRMAJOH-RUZDIDTESA-N 401.550 5.850 0 40 HKAB Cc1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)c2c3c(sc2n1)CCC3 2653980 NKJIILZWLJOYIX-UHFFFAOYSA-N 414.943 5.484 0 40 HKAB COc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 2713977 ZZFGFIFVCSELFZ-UHFFFAOYSA-N 424.479 5.847 0 40 HKAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1 3094679 URBYKDPIYKXNHM-UHFFFAOYSA-N 422.337 5.898 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 3351705 HNWMJUHLGBFGDI-AWEZNQCLSA-N 420.513 5.572 0 40 HKAB Cc1c(Cl)cccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O 4033270 PUJXAXGEFDUHFI-IBGZPJMESA-N 415.924 5.567 0 40 HKAB Cc1ccc(C)c(NC(=O)CSc2cn(Cc3ccccc3C)c3ccccc23)c1 4059702 MBXCMZKOJKCLGL-UHFFFAOYSA-N 414.574 6.346 0 40 HKAB Cc1cccc2cc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCCC3)c(=O)[nH]c12 4230927 BWTCUHBINBEXQV-UHFFFAOYSA-N 416.565 5.719 0 40 HKAB CC[C@@H]1CCCCN1c1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12 4980458 YGINDWQACPQIGK-OAQYLSRUSA-N 400.501 5.971 0 40 HKAB COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1 5197939 GEVXLHJUTZDFTO-UHFFFAOYSA-N 406.413 5.301 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(Cl)c4)c3)nc2c1 5267163 WUAWSQXNYLNOFM-HNNXBMFYSA-N 404.897 6.914 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)OCc1nnc(-c2ccccc2)o1 5430034 HXFSRCAYOZTCCP-UHFFFAOYSA-N 409.294 5.020 0 40 HKAB C1CCSCCCCCSCCCCCSCCCCCSCC1 5493439 YAOIKMIQFGPNJC-UHFFFAOYSA-N 408.808 7.614 0 40 HKAB Cc1cc(SCC(=O)Nc2ccccc2C)n2nc(C)c(-c3ccccc3)c2n1 5562469 NFPNUZMAQVDYBY-UHFFFAOYSA-N 402.523 5.052 0 40 HKAB CCCCOc1ccc(C2=NN=C(c3ccc(Cl)cc3)Nc3ccccc32)cc1 5895022 NZHLZNREOIODKD-UHFFFAOYSA-N 403.913 6.144 0 40 HKAB Cc1cccc(OC(=O)CCCCCCCCCCC(=O)Oc2cccc(C)c2)c1 5942946 FOWJDXXXNTWPIK-UHFFFAOYSA-N 410.554 6.715 0 40 HKAB COc1ccc(C(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 6170709 WLZIQHGQAFLPNE-UHFFFAOYSA-N 405.928 5.456 0 40 HKAB CC(C)(C)c1ccc(OCCOc2ccc(-c3nc4ccccc4s3)cc2)cc1 6323524 IHODSSHWVFPMDC-UHFFFAOYSA-N 403.547 6.719 0 40 HKAB Cc1cc(C(=O)CSc2nnc([C@H](C)Oc3ccc(F)cc3)o2)c(C)n1C1CC1 6374748 XTXANTFLXGAPOM-AWEZNQCLSA-N 415.490 5.077 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cc(Cl)c(OCC)c(Cl)c1 6595454 FIVNBZQRHRMMRC-OAHLLOKOSA-N 413.326 5.160 0 40 HKAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)c1nnc(-c2ccc(F)cc2)o1 6976264 RHWGJUYVIUQQMW-CYBMUJFWSA-N 407.474 5.187 0 40 HKAB CCCc1nnc(S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(=O)O)[nH]1 7342234 YDTDUOKLTZGWHG-BOPFTXTBSA-N 416.934 5.036 0 40 HKAB Cc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c(C)n1-c1ccc(F)cc1 7365477 KRYZSDRAXZMHMI-NDENLUEZSA-N 408.454 5.592 0 40 HKAB Cc1cc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(C)n1CC(F)(F)F 8312494 JVILWNYVOKKABB-UHFFFAOYSA-N 419.472 5.806 0 40 HKAB COc1ccc(CCNCc2cccc(OCc3ccccc3Cl)c2)cc1OC 8493646 VYRYRLBAQZKGCW-UHFFFAOYSA-N 411.929 5.269 0 40 HKAB COc1cc(C)ccc1OCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1C 9306142 HMIHVBHROQTXIZ-UHFFFAOYSA-N 424.353 5.310 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3Cl)c3ccccc3n2)o1 9631976 PHRUEBCTLPVEHD-UHFFFAOYSA-N 420.852 5.252 0 40 HKAB C[C@@H](NC(=O)CCNC(=O)c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 10132786 LQMFIYODQRPDGD-QGZVFWFLSA-N 406.913 5.004 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)C[C@@H](c1ccc(Cl)cc1)OC2=O 11689842 VDXXHJRKIIYIJQ-FQEVSTJZSA-N 412.272 5.700 0 40 HKAB COc1c(Cl)ccc(Cl)c1C(=O)Nc1cccc(Oc2nc(C)cc(C)n2)c1 12032672 RLJXUZBTWDNJNJ-UHFFFAOYSA-N 418.280 5.453 0 40 HKAB COc1ccc(OC)c([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4cccs4)=NN32)c1 12196834 JRXOJSUKFBQUBH-MBSDFSHPSA-N 422.506 5.016 0 40 HKAB Cn1cc(C(=O)c2cc(Cl)ccc2O)cc1-c1nc2ccccc2n1C(F)F 12541350 DZZNTQITDFMUSC-UHFFFAOYSA-N 401.800 5.027 0 40 HKAB O=C(CCCc1c[nH]c2ccccc12)N1CCCC[C@@H]1c1nc2ccccc2s1 12601394 NKGQRZUORNGFNI-OAQYLSRUSA-N 403.551 5.854 0 40 HKAB C[C@H](c1ccccc1)N(C)Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1 12997755 YSICBWWJFYXXHP-CQSZACIVSA-N 409.942 5.498 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1ccc(Br)cc1)c1ccccc1 13134159 SOFOWRSWHWYNGQ-QFIPXVFZSA-N 422.347 6.647 0 40 HKAB O=C(c1ccccc1)[C@H](Sc1ncnc2c1cnn2-c1ccccc1)c1ccccc1 13145884 MQIINXYXGRLFTO-HSZRJFAPSA-N 422.513 5.532 0 40 HKAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(OCc2ccccc2Cl)cc1 13687546 QMBDHERYVGJRNX-UHFFFAOYSA-N 420.723 6.156 0 40 HKAB COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc(OC)c1OC 13777405 SVJFFUHNFVDESD-HXOBKFHXSA-N 422.506 5.016 0 40 HKAB Fc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)ccc1Cl 13778183 UCJHIPRZLYIGIW-WMZHIEFXSA-N 422.843 5.450 0 40 HKAB O=C1c2ccccc2[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1C[C@H]1CCCO1 13943793 APKZQOMPEBDJIF-NIYFSFCBSA-N 408.501 5.559 0 40 HKAB Cc1ccccc1OCCOC(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1C 15276659 FOTRWCJFBRHVEJ-OUKQBFOZSA-N 424.928 5.145 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(Br)c(C)c2)nc2ccc(Cl)cc12 15829200 LSBSBUYMUJBAPM-UHFFFAOYSA-N 419.706 5.610 0 40 HKAB Cc1ccc2oc(C(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)cc(=O)c2c1 15831185 FZAZKCFHIQIPSL-UHFFFAOYSA-N 407.853 5.190 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Br)cc3)o2)cc1Cl 16313089 MTGCLQUSRFKNEH-PKNBQFBNSA-N 416.702 6.323 0 40 HKAB COc1ccc(Cn2nc(-c3ccc(C)cc3)c(Cl)c2-c2ccc(C)cc2)cc1 17082587 IFLMABHYAIMZLC-UHFFFAOYSA-N 402.925 6.544 0 40 HKAB Cc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)c(Cl)c1 17088767 GZIBBJHEGWEPTH-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB CCCCc1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 17089770 OWGFNJQGBBFSEF-FYWRMAATSA-N 414.332 7.248 0 40 HKAB c1ccc([C@]2([C@]3(c4ccccc4)Nc4ccccc4S3)Nc3ccccc3S2)cc1 17354567 QIIPXKDIYLWCQE-WMPKNSHKSA-N 424.594 7.128 0 40 HKAB COc1ccccc1C(=O)N1CCC(c2cc(-c3ccc(F)cc3)cc(C)n2)CC1 19691171 YVUNXJYDXPEMOH-UHFFFAOYSA-N 404.485 5.225 0 40 HKAB CC[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(OC)cc1 20045495 ARFMXZOJVHLCHD-HSZRJFAPSA-N 409.913 5.809 0 40 HKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 20139889 NGSMPWABSAOQGP-UHFFFAOYSA-N 407.853 5.913 0 40 HKAB O=C1c2cc3ccccc3nc2N[C@@H](c2ccc(Cl)cc2Cl)N1c1ccccc1 20523116 RTELYPJJOKCFCS-JOCHJYFZSA-N 420.299 6.313 0 40 HKAB CC(=O)N[C@H](CC(=O)Nc1ccccc1SCc1ccsc1)c1cccs1 21479537 UJXGOXCOXGDJMM-QGZVFWFLSA-N 416.593 5.308 0 40 HKAB Cc1noc(C)c1CCC(=O)N(Cc1ccccc1)c1nc2c(C)cccc2s1 23123382 ZEKXRNXRGURVKL-UHFFFAOYSA-N 405.523 5.376 0 40 HKAB COc1ccc([C@H]2CCCN2C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OC 25878358 VEMUMDAIHHYRNL-JOCHJYFZSA-N 404.510 5.041 0 40 HKAB N=C1c2c(-c3ccccc3)cc(-c3ccccc3)nc2S[C@@]1(C(=O)O)c1ccccc1 28615347 SPOQLIWPWZDVMJ-SANMLTNESA-N 422.509 5.869 0 40 HKAB Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H](C)c4ccccc4)c(C)c3cc2c1C 30819216 GRXUZDBUXLFTGW-MRXNPFEDSA-N 403.478 5.274 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cc(C)ccc4F)cc3)n2)cc1 32578485 JMLMBMLJDQTHBU-UHFFFAOYSA-N 417.440 5.177 0 40 HKAB COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OC 32895198 SITXDMZZVZWNQS-KSSFIOAISA-N 405.947 5.202 0 40 HKAB Cc1ccc(-c2nc(CSc3nnc(-c4ccco4)n3-c3ccccc3)no2)cc1 32905997 SEGJIDOUSTVXHS-UHFFFAOYSA-N 415.478 5.178 0 40 HKAB CN(C)C(=O)c1cccc(NC(=O)CCN2c3ccccc3Sc3ccccc32)c1 39548836 VZDQIHHEXYXGMT-UHFFFAOYSA-N 417.534 5.020 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)NCc1cccc(NC(=O)c2ccco2)c1 40074494 PLMWXTUREMEZEJ-UHFFFAOYSA-N 417.292 5.088 0 40 HKAB CCc1ccc(OCc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1 40235014 DEXGCEZRSCDUTL-UHFFFAOYSA-N 411.332 6.533 0 40 HKAB CC(C)CSc1ncc(-c2ccc(Br)cc2)n1-c1cccc(Cl)c1 44087426 SEHNPFILKKAFCI-UHFFFAOYSA-N 421.791 6.703 0 40 HKAB COc1ccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc23)cc1Cl 49005201 SNNKWZHKMUKHON-HNNXBMFYSA-N 424.932 5.358 0 40 HKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72215223 YJAYISCSPXCHDR-AEFFLSMTSA-N 419.566 5.694 0 40 HKAB CC(C)CN1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215745 CBWFRCUHRYGKHK-OAQYLSRUSA-N 401.595 5.949 0 40 HKAB CSc1ccccc1NC(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 79019465 XQBOTVUNDAIJLQ-IBGZPJMESA-N 410.518 5.697 0 40 HKAB O=C(OC1CCN(c2ccc(Cl)cn2)CC1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 84502254 ALFJKSGRVNBNMB-DLBZAZTESA-N 424.850 5.070 0 40 HKAB COc1ccc2cc([C@H]3CC(c4cccc(Cl)c4)=NN3C(C)=O)c(Cl)nc2c1 89930417 NXJGHEBGIKPHTB-HXUWFJFHSA-N 414.292 5.248 0 40 HKAB COc1ccc(C(=O)N2c3ccccc3N=C3CC(C)(C)CC(O)=C3[C@@H]2C)cc1OC 102705579 JOFMCEUNIILQJZ-HNNXBMFYSA-N 420.509 5.457 0 40 HKAB O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1c(F)cccc1Cl 106735306 RJYGZXKGZPREPW-NVNXTCNLSA-N 415.795 5.734 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118912635 YMMFNKXZULYSOQ-QOLWHSHMSA-N 420.678 5.554 0 40 HKAB biogenic,in-vitro COc1cc(C)c([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1C(C)C 223268517 LQNIOZNZFIUBCD-MRXNPFEDSA-N 405.991 5.891 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCOc1ccccc1C(C)(C)C 223733118 XTGNLLBBPYOPMF-FQEVSTJZSA-N 403.950 5.299 0 40 HKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 224182094 HGZRFIASGVZNFD-VWLOTQADSA-N 420.597 5.102 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3ccc(C)c(C)c3)c2)cc1 224622237 HBWKQKQJXJURIC-UHFFFAOYSA-N 419.521 5.932 0 40 HKAB S=C(Nc1ccc(Nc2ccccc2)cc1)NC1CCN(Cc2cccs2)CC1 225230363 ASSQLQFMPIRRRG-UHFFFAOYSA-N 422.623 5.443 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccco2)N1c1ccc(OC2CCCC2)cc1 225360595 FSBJGYLBTCWQSP-FGZHOGPDSA-N 405.523 5.173 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c2ccccc12 225759524 MRMGJIZTPSVVLR-NRFANRHFSA-N 415.577 7.166 0 40 HKAB S=C(Nc1cccc(Br)c1)NC1(c2ccccc2Cl)CCCC1 225845546 GUZMNFVSSYWPAL-UHFFFAOYSA-N 409.780 5.858 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ncccc34)CCCCC2)cc1 225867438 QWPDKSKIRQRRMD-UHFFFAOYSA-N 416.565 6.419 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c2cccnc12 225870471 RMIYBYVBIPGIQE-UHFFFAOYSA-N 422.956 6.516 0 40 HKAB CC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(Oc3ccccc3)cc2)C1 257291236 QGEYJDCZQJSCTJ-NXCFDTQHSA-N 419.496 6.106 0 40 HKAB CCOc1cc(CNc2ccccc2)ccc1OCc1ccc(Br)cc1 409109749 KPZGUGHNDLWXRU-UHFFFAOYSA-N 412.327 6.039 0 40 HKAB Cc1ccc(COc2ccc(/C=C3\C(=O)Nc4ccccc43)cc2Br)cc1 409114041 KGDPFZUGESQISR-UNOMPAQXSA-N 420.306 5.829 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 409192804 BLKQFAGVIPIVHE-UHFFFAOYSA-N 406.265 5.816 0 40 HKAB CCOc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccccc1Cl 714463 FGDBWYSSUJAWKE-UHFFFAOYSA-N 403.931 5.119 0 40 HKAB Cc1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)Nc2cccc(C)n2)n1 841309 LYRUFIDCQDWYMM-UHFFFAOYSA-N 422.488 5.265 0 40 HKAB Clc1ccc(-c2csc3ncnc(SCc4ccc5c(c4)OCO5)c23)cc1 1100883 BXCWKCDMJRHSFZ-UHFFFAOYSA-N 412.923 6.033 0 40 HKAB CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1)N(c1ccc(OC)cc1)C(=O)C2 1322759 TUTSOCBJGXIYGY-AREMUKBSSA-N 417.505 5.171 0 40 HKAB biogenic CCc1ccc(NC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 1748153 NAAMCUGVMWENAU-OQLLNIDSSA-N 421.924 6.142 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2CC)cc1 2212307 YDJQORJKVQCTPR-OAHLLOKOSA-N 414.600 5.195 0 40 HKAB Cc1cc(-c2ccccc2)nc2oc3c(N4CCN(c5ccccc5)CC4)ncnc3c12 2585246 FGFSGHYNSPNFJI-UHFFFAOYSA-N 421.504 5.073 0 40 HKAB C[C@@H]1CCc2c(sc3ncnc(Sc4ncc(C(F)(F)F)cc4Cl)c23)C1 2644344 AEQGGEPIAOPGMC-MRVPVSSYSA-N 415.893 6.035 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1c(C)cc(C)cc1C 2665828 UXMSXJDNKAEZLH-UHFFFAOYSA-N 423.534 5.535 0 40 HKAB CCCCCCOc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 3016916 YKYZFFLNBCMEGO-NKFKGCMQSA-N 405.538 6.288 0 40 HKAB CCCOc1cccc(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1 3655556 UNHVUIZMUVJSCI-UHFFFAOYSA-N 417.436 5.844 0 40 HKAB Cc1ccccc1OCc1nn(C2c3ccccc3Oc3ccccc32)c(=S)n1C 4199965 SBFBQRQJBOCWEM-UHFFFAOYSA-N 415.518 5.582 0 40 HKAB Cc1cc(I)ccc1NC(=O)c1ccc(Cl)cc1Cl 4719173 FTONZXWIMFWZJU-UHFFFAOYSA-N 406.050 5.159 0 40 HKAB CSCC[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccc(Br)c3)=NN12 5142451 JIFSUSNWFDLSOD-HKUYNNGSSA-N 403.345 5.072 0 40 HKAB Cc1nc(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)n(CC(C)C)c1C 5152048 XXZAGMYHJMLCLD-LJQANCHMSA-N 407.583 5.942 0 40 HKAB Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccsc2)c(C)c1 5482785 ZWAJIXMWCILXFH-QHCPKHFHSA-N 404.535 5.103 0 40 HKAB CC(C)(C)NC(=S)N=P(N1CCCCCC1)(N1CCCCCC1)C(C)(C)C 5496304 JWXNBHLMTHEPFQ-UHFFFAOYSA-N 414.644 6.241 0 40 HKAB CC(C)(C)[P@](=Nc1ccccc1C(F)(F)F)(c1ccncc1)N1CCCCCC1 5496514 ZEICXVJCLWKVHT-LJAQVGFWSA-N 423.463 6.848 0 40 HKAB CCCCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C1=O 5552399 SFPNLOJCTVPWCT-UYRXBGFRSA-N 401.915 5.755 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc(Cl)cc1)c1ccccc1 5782570 UKLISEZMTLSXMK-NRFANRHFSA-N 409.869 5.194 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 5952113 RUHJBXMZNMZHMN-UHFFFAOYSA-N 400.478 6.153 0 40 HKAB Cc1ccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)cc1C 6747990 UNHQWMJGKKUIQB-UHFFFAOYSA-N 401.894 5.431 0 40 HKAB C[C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)Nc1ccccc1 6899170 WSNMXPNYYQGJFL-HNNXBMFYSA-N 406.536 5.115 0 40 HKAB COC[C@H](C)n1c(C)cc(C(=O)CSc2cc(C)c3cc(C)cc(C)c3n2)c1C 7158841 IUPYVIFPXCPLGN-SFHVURJKSA-N 410.583 5.761 0 40 HKAB COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccc(C)c3)n2CC(C)C)cc1 8388668 NKJDFDFIUJDEAQ-KRWDZBQOSA-N 424.570 5.037 0 40 HKAB CCc1ccc(-c2ccc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nn2)cc1 12140474 IAZYESXIMTYYBT-UHFFFAOYSA-N 418.349 5.744 0 40 HKAB Clc1ccc(OCc2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cc1 12249608 RLBUROGYGUBRFQ-UHFFFAOYSA-N 401.702 5.901 0 40 HKAB Nc1c(C(=O)Nc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc(Cl)cc1 12342086 NYVSEOZTZQXEKC-UHFFFAOYSA-N 424.287 5.312 0 40 HKAB C[C@H](Sc1nnc([C@H](C)N2CCCCC2)n1-c1ccc(F)cc1)c1ccccc1 12516910 BNTDVMCMQKLYCH-ROUUACIJSA-N 410.562 5.807 0 40 HKAB O=C(Nc1nnc(-c2ccc(Br)s2)o1)c1cc(Cl)ccc1Cl 13667195 QSUMPNXBSGLEPG-UHFFFAOYSA-N 419.087 5.120 0 40 HKAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4C)=NN23)cc1OC 13777562 FQXYBGMRESVFEY-GJZUVCINSA-N 414.505 5.563 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 13950569 PVRHWMDXYWUIKU-UHFFFAOYSA-N 424.500 6.111 0 40 HKAB CCn1c2ccccc2c2ccc(NC(=O)c3oc4c(c3C)C(=O)CC(C)(C)C4)cc21 16756776 NFKFFGXZNGLOLU-UHFFFAOYSA-N 414.505 6.123 0 40 HKAB O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccc2c(Cl)cccc12 17088351 HBLFDJFBIIMTAW-UHFFFAOYSA-N 409.725 5.927 0 40 HKAB Cc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(F)cc23)cc1 21017400 XOWTYVYLDDCRCF-UHFFFAOYSA-N 401.872 6.650 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1Cl)c1ccc(N2CCCC2=O)cc1 21707164 FJPIIHKKJYAZLQ-UHFFFAOYSA-N 406.869 5.511 0 40 HKAB CCc1cccc(NC(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)c1 25391692 UOWZTBOWNLWXRI-UHFFFAOYSA-N 421.544 5.608 0 40 HKAB O=C(Sc1ccccc1)c1nc(SCc2ccc(Cl)cc2)ncc1Cl 28290888 AITQKELOLQSDCY-UHFFFAOYSA-N 407.347 6.008 0 40 HKAB CCN(CC)[C@H](CNC(=O)c1sc2cc(C)ccc2c1Cl)c1ccccc1 28292475 PSTUQAHKISYVJY-GOSISDBHSA-N 400.975 5.676 0 40 HKAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c(C)c1 33636509 AGAIDZBVLWZVFJ-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB CC(=O)c1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 36391072 SUFFXCFTQBDDMI-UHFFFAOYSA-N 404.432 5.080 0 40 HKAB Cc1cc(C)c(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1 38856102 UZTGZVJCBOLFMT-UHFFFAOYSA-N 405.369 5.769 0 40 HKAB CC(C)c1ccc(CC(=O)N2CCC[C@H](c3cccc(OC(C)(C)C(=O)O)c3)C2)cc1 43105268 OISHBINQIFNIPV-QFIPXVFZSA-N 423.553 5.001 0 40 HKAB CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)F)cc1 44088235 GMUHRJUMYAOUJT-UHFFFAOYSA-N 401.265 6.169 0 40 HKAB CCCCOc1ccc(-c2cc3c(SCc4cccc(C)c4)nccn3n2)cc1 45925368 FLDUFDFQCHERAY-UHFFFAOYSA-N 403.551 6.176 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1nc2c(Cl)c(Cl)ccc2s1 59294453 UTNZQMGFNYFHLH-YRNVUSSQSA-N 415.301 6.515 0 40 HKAB CC1CCN(Cc2nc3cc(NC(=O)c4ccc(F)cc4)ccc3n2C(C)C)CC1 65322319 ZJVPNBVUMYYNLU-UHFFFAOYSA-N 408.521 5.241 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)NCCC4=CCCCC4)nccn3n2)cc1C 67289747 UPINJFIIJRWJCK-UHFFFAOYSA-N 420.582 5.112 0 40 HKAB O=C(O)CCCN(Cc1ccc(F)cc1)Cc1ccc(OCc2ccccc2)cc1 73633151 KOYRDNWTOISRKK-UHFFFAOYSA-N 407.485 5.272 0 40 HKAB CC(C)c1ccc(-c2nc(C(=O)Nc3ccc([S@](C)=O)c(F)c3)cs2)cc1 78879245 UIUZDMGDVUDFDY-HHHXNRCGSA-N 402.516 5.062 0 40 HKAB CCOc1ccc(-n2cc(-c3nc(-c4ccc(C)cc4)no3)c3ccccc3c2=O)cc1 96324284 AONKJCQPIUDFTH-UHFFFAOYSA-N 423.472 5.415 0 40 HKAB Cc1ccc(C2=NN3[C@H](c4ccccc4)Oc4c(Cl)cc(Cl)cc4[C@H]3C2)cc1 102974587 LRKCLMUKMSOCKB-GGAORHGYSA-N 409.316 6.544 0 40 HKAB O=C1/C(=C\Nc2ccc(O)cc2)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 105895403 KEDDDLRVRMFLOH-AQTBWJFISA-N 424.378 5.051 0 40 HKAB CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118924469 RCXPTZJNVLDKKV-QWDJEJJDSA-N 400.691 8.043 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC[C@H](O)[C@H](O)[C@]4(C)[C@H]3CC[C@@]21C 123242082 FXLFOXWMRVVZAG-KGCFQABDSA-N 404.679 6.439 0 40 HKAB COc1ccc(/C=C(/C(=O)NCCOc2cc(C)ccc2C)c2ccccc2)cc1 223979965 HBWXBWCUXSULTQ-HKOYGPOVSA-N 401.506 5.048 0 40 HKAB CCC1(CC)C[C@H](NC(=O)CCCOc2ccc(Cl)cc2)c2ccccc2O1 224075308 KJEVQGBQBGWWRC-FQEVSTJZSA-N 401.934 5.698 0 40 HKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1 224190345 OEBNLUWNYMZNKT-UHFFFAOYSA-N 409.913 5.474 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1cc(C)cc(C)c1 224193224 FUQOXRBDWTZVQD-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB CC(C)(C)CC(C)(C)NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 224407782 IUMWZDSXDGIAFR-UHFFFAOYSA-N 422.978 5.085 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCSCc1c(F)cccc1Cl 224985238 FALCKFWJBIVWKO-UHFFFAOYSA-N 416.345 5.340 0 40 HKAB Cc1ccc(-c2nnc(NC(=O)CCCSc3ccc(Cl)cc3)s2)cc1 225144901 IQORSBXCCMRVFT-UHFFFAOYSA-N 403.960 5.678 0 40 HKAB Fc1cc(Br)ccc1NC(=S)NC(c1ccccc1)c1ccccc1 225519231 AJKPWELINVZALH-UHFFFAOYSA-N 415.331 5.664 0 40 HKAB Cc1cc(NC(=O)C2(c3ccccc3Cl)CCOCC2)ccc1OCC(C)C 225578218 ATXPTISBQPXISJ-UHFFFAOYSA-N 401.934 5.370 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C 225580623 MXGXMJWOXQNQID-UHFFFAOYSA-N 401.934 5.514 0 40 HKAB Cc1ccc(-c2ccc(C(=O)O)o2)c(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c1 226355008 POMHLDAFGRYLSP-UHFFFAOYSA-N 422.506 5.203 0 40 HKAB C[C@H]1C[C@H]2CC[C@@]1(NC(=O)CCCCC(=O)N[C@H]1C[C@H]3CC[C@@]1(C)C3(C)C)C2(C)C 245231702 ISINGHVAECMBPX-ZCWWKMMNSA-N 416.650 5.209 0 40 HKAB CCCC(=O)N[C@@]1(C)C[C@@H](c2cc(Br)ccc2O)O[C@H]2C[C@@H](C)CC[C@@H]21 257202487 AMCFRXCYHLDRFI-MDOTZSGJSA-N 424.379 5.096 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2ccccc2C)cc1 408697127 HSSDABQKNLXPCH-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]21)c1ccccc1 409367542 DTMDGGSIUDENOO-IMAQQZIHSA-N 410.300 5.389 0 40 HKAB c1ccc(C[C@@H]2COC(C3(C4=N[C@H](Cc5ccccc5)CO4)CCCCCC3)=N2)cc1 1988179737 KPMUHTRNYHTFPA-DNQXCXABSA-N 416.565 5.407 0 40 HKAB Cc1cccc(NC(=O)CCn2nc(-c3ccc(Cl)cc3)c3ccccc3c2=O)c1 801808 ZIUVUQLEJCRFIH-UHFFFAOYSA-N 417.896 5.054 0 40 HKAB Cc1ccc2cc(CN(C(=S)NCc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 1224191 QRQVTNOTOJSQNQ-UHFFFAOYSA-N 419.594 5.046 0 40 HKAB CCOC(=O)c1c(NC(=O)CCCOc2ccccc2C)sc2c1CC[C@@H](C)C2 1772510 SULNWMIVVFBJHS-OAHLLOKOSA-N 415.555 5.156 0 40 HKAB CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@@H]1CCCO1 1895340 MPNHWOUULXYWCX-FQEVSTJZSA-N 421.518 5.376 0 40 HKAB Cc1cccc2c(C(=O)Nc3ccc(Br)cc3)cc(-c3ccccc3)nc12 2058758 MJLFUWHZXCCYAT-UHFFFAOYSA-N 417.306 6.225 0 40 HKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2cccc(C)c2C)C4)cc1 2122934 DXZVRZDDWDETDE-UHFFFAOYSA-N 413.473 5.442 0 40 HKAB biogenic CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CCC(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 2159314 YDDVOKKQEBUWJE-MZQOELJCSA-N 414.630 6.502 0 40 HKAB biogenic CCCc1sc(Nc2ccc3ccccc3c2)nc1-c1ccc(Cl)c(Cl)c1 2176715 YDFNMKCWEJAHEM-UHFFFAOYSA-N 413.373 7.966 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 2179191 WIHOLXCYYHIGTO-SFHVURJKSA-N 400.522 5.727 0 40 HKAB CC(=O)c1c(C)oc2c1cc(OC(=O)c1ccccc1Br)c1ccccc12 2351690 BFWRJHKSOLEXMC-UHFFFAOYSA-N 423.262 6.079 0 40 HKAB CCOc1ccccc1Oc1coc2cc(OCc3ccc(Cl)cc3)ccc2c1=O 2406249 KEISEJLXIIQVBS-UHFFFAOYSA-N 422.864 6.216 0 40 HKAB biogenic Fc1ccc(-c2cc(C(F)(F)Cl)c3c(C4CC4)nn(-c4ccccc4)c3n2)cc1 2741223 HDDPHVYMZAFCEM-UHFFFAOYSA-N 413.830 6.392 0 40 HKAB Cc1cc(C)nc(S[C@@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 2764299 SOQLMYPUTHQEGK-WOJBJXKFSA-N 418.628 5.268 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1ccccc1C(C)C 3218193 ZIHZYHGHPKKJEU-UHFFFAOYSA-N 412.873 5.222 0 40 HKAB CCc1cccc(CC)c1NC(=O)COC(=O)c1sc2ccccc2c1Cl 3235654 BRSHQSJNLYFDEY-UHFFFAOYSA-N 401.915 5.475 0 40 HKAB Clc1ccc(-c2csc3ncnc(Oc4ccc(Cl)c5ccccc45)c23)cc1 3298764 JOXWNDBVFDMHCT-UHFFFAOYSA-N 423.324 7.611 0 40 HKAB COC(=O)c1cc(CSc2nc(C3CCCCC3)n(-c3ccccc3)n2)oc1C 3413644 JZRUQXDFDFEJIL-UHFFFAOYSA-N 411.527 5.295 0 40 HKAB CCOC(C(=O)Nc1ccccc1Cc1ccccc1)(c1ccccc1)c1ccccc1 3438066 HKGPXUDUFBDMIU-UHFFFAOYSA-N 421.540 6.196 0 40 HKAB CCN1C(=O)c2cccc3c(NC(=O)COc4ccc(Cl)cc4Cl)ccc1c23 4167563 OOSRPEHWUGBZPA-UHFFFAOYSA-N 415.276 5.144 0 40 HKAB COc1cccc2c1O[C@@H](c1ccc(C(C)(C)C)cc1)N1N=C(c3ccccc3)C[C@@H]21 4281953 OTIJCAIXZVSNST-OZXSUGGESA-N 412.533 6.235 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 4523653 YLKOCKVHJINQCO-SPLOXXLWSA-N 424.541 6.152 0 40 HKAB CCC(CC)COC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 5047430 DRJAAQOAOUGLAL-UHFFFAOYSA-N 416.525 5.002 0 40 HKAB O[C@H](CN(Cc1ccccc1)Cc1ccccc1)Cn1c2ccccc2c2ccccc21 5336410 MAIAKFREYFMMMC-RUZDIDTESA-N 420.556 5.858 0 40 HKAB COc1ccc([C@@](C)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n2ccnc2)cc1 5464142 YNYWQUWRGILPNE-SANMLTNESA-N 406.570 6.004 0 40 HKAB COc1ccc(C(C)=O)cc1CSc1ncnc2sc(-c3ccccc3)cc12 5559558 HUCICAZLRXZRHH-UHFFFAOYSA-N 406.532 5.862 0 40 HKAB CC12CC3(C)CC(C)(C1)CC(C(=O)Nc1ccc(OCc4ccccc4)cc1)(C2)C3 5673977 DDZXYFPLCXSPSX-UHFFFAOYSA-N 403.566 6.591 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)C1c2ccccc2Oc2ccccc21 5676914 HGRDMXNKRGVJKG-IEGUWTFLSA-N 422.521 5.471 0 40 HKAB COC(=O)c1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 6441027 ANDSXLORGGOLIC-UHFFFAOYSA-N 411.910 5.671 0 40 HKAB COc1ccc([C@H](NC(=O)Cc2c(C)nc3ccccc3c2C)c2ccccc2)cc1 6821751 NAQRTWWQXNHMSV-HHHXNRCGSA-N 410.517 5.309 0 40 HKAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)c1 7882279 HIGBKQASOBQTRZ-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nc3ccccc32)cc1 8132347 UKVWEUKBXJPRQZ-UHFFFAOYSA-N 407.926 5.718 0 40 HKAB COc1ccc([C@@H]2CCCN2c2nc(-c3cccnc3)nc3ccccc23)c(OC)c1 8278663 WCEYYDMPNDHDFX-QFIPXVFZSA-N 412.493 5.051 0 40 HKAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)o2)cc1 8428975 XLFOEHVQNBYSGJ-UHFFFAOYSA-N 403.434 5.443 0 40 HKAB O=C(Nc1ccccc1Cl)c1nc(SCc2ccc(F)cc2)ncc1Cl 9183843 VFVQTWIOUBYRII-UHFFFAOYSA-N 408.285 5.467 0 40 HKAB COc1ccccc1-c1c(C)noc1-c1ccc(OCc2ccc(Cl)cc2)cc1O 9410216 KTGIEQNEDZEBPX-UHFFFAOYSA-N 421.880 6.264 0 40 HKAB biogenic C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Cl)cc1 10219605 UCRMEZZPMRRXLM-MRXNPFEDSA-N 402.885 5.079 0 40 HKAB Clc1ccc(C2=Nc3ccc(Br)cc3C(c3cccs3)=NN2)cc1 12497585 YMMUCDCIFUIUCY-UHFFFAOYSA-N 416.731 5.598 0 40 HKAB COc1ccc(C(=O)C[C@@H](C(=O)c2ccccc2)c2nc3ccccc3s2)cc1 12769606 LGDYVAUJJJHEFW-IBGZPJMESA-N 401.487 5.544 0 40 HKAB O=C1CCC[C@@H]1Sc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1 12782224 JKIHIJCPSLXWNM-QFIPXVFZSA-N 405.567 5.741 0 40 HKAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C1(c2ccccc2)CCCC1 12857151 JLZAMLRKUUHJLF-UHFFFAOYSA-N 413.477 5.349 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1c[nH]c2ccccc12 13072977 LTLYEKUIAXAXHB-UHFFFAOYSA-N 422.513 5.662 0 40 HKAB C[C@@H]1Oc2ccc(NC(=O)c3ccccc3SCc3cccs3)cc2NC1=O 14242327 XMPHLFCRCFSGRH-ZDUSSCGKSA-N 410.520 5.012 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl 14398968 SZIFDOOYFMUMDX-LBPRGKRZSA-N 418.773 5.464 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccccc2)c1 14609639 LNTJWUJDDAQEIL-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c(OC)c1OC 15016728 OYTRLFILHQEVSF-SBUREZEXSA-N 422.506 5.016 0 40 HKAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccccc2Cl)cc1 15880472 HQKHWMYHSTUDIN-UHFFFAOYSA-N 407.853 6.023 0 40 HKAB biogenic COc1cc(NC(=O)c2cc(Cl)c(OC(C)C)c(OC)c2)c(OC)cc1Cl 15970382 QJEKINLDOWNBOA-UHFFFAOYSA-N 414.285 5.059 0 40 HKAB Cc1cc(Br)cc(Br)c1NC(=O)Nc1cccc(Cl)c1 16269482 IYGIJJBDKZXEOC-UHFFFAOYSA-N 418.516 5.817 0 40 HKAB Cc1cccc(NC(=O)COc2cccc3ccc(N4CCC[C@@H](C)C4)nc23)c1C 17135627 OEUCXOQYIUXMDL-QGZVFWFLSA-N 403.526 5.105 0 40 HKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3ccccc3OC)c2)cc1 19691387 IEBKWUOOSIUSLB-HSZRJFAPSA-N 402.494 5.052 0 40 HKAB c1ccc(CCOc2ccc(CNc3cccc(OC[C@H]4CCCO4)c3)cc2)cc1 19738603 QUMOSOUDENQHLL-AREMUKBSSA-N 403.522 5.478 0 40 HKAB CCc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1 20197104 XXXSDHVBDYUSQE-UHFFFAOYSA-N 422.337 5.260 0 40 HKAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OC 20460606 HJANCUOCCCORRO-JTQLQIEISA-N 419.852 5.495 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)ccc21 20496778 DUBYMGRUNMBJTC-XYOKQWHBSA-N 409.316 6.773 0 40 HKAB O=C(c1csc(-c2ccsc2)n1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 21598729 HULPDJNAKSPJDT-UHFFFAOYSA-N 412.536 5.185 0 40 HKAB O=C(c1csc(-c2cccs2)n1)N1CCc2sccc2[C@@H]1c1ccccc1 25900786 WWFSKROYTLVCTN-IBGZPJMESA-N 408.573 5.721 0 40 HKAB C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc2ccccc2c1 27320517 VSEJYLNXVUIBHE-OAHLLOKOSA-N 406.432 5.583 0 40 HKAB CCN(C(=O)Cc1nc(-c2cccs2)oc1C)c1cccc(Br)c1 27680007 ZRAWPQSDTMZUTA-UHFFFAOYSA-N 405.317 5.070 0 40 HKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCc3ccccc3)CC2=O)cc1 27792724 DUINMNVPLYOODM-QFIPXVFZSA-N 409.533 5.498 0 40 HKAB COc1ccc(CN(Cc2nc(-c3ccco3)no2)[C@H](C)Cc2cccs2)cc1 29967520 YZTOKXZYFOXOJR-MRXNPFEDSA-N 409.511 5.033 0 40 HKAB O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1ccc(F)cc1F 32838800 KFTZIDMJTFLZTG-JOCHJYFZSA-N 400.352 5.069 0 40 HKAB O=C(CN1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1cccc2ccccc12 35313154 YYBWWRHPMBIXSI-UHFFFAOYSA-N 406.913 5.027 0 40 HKAB COc1ccc(-c2nc3c(-c4ccc(Cl)cc4)c(C)nn3c3c2CCCC3)cc1 35324855 VTIYSTGIYNNJLT-UHFFFAOYSA-N 403.913 5.913 0 40 HKAB Cc1cc(C)cc(Nc2c(-c3cc(Br)ccc3O)nc3cnccn23)c1 35616294 MBAREJYUVQBSIF-UHFFFAOYSA-N 409.287 5.225 0 40 HKAB COc1cccc(-c2csc(-c3cc(NC(=O)c4ccc(C)c(C)c4)n(C)n3)n2)c1 35683058 SNSKIAJOEHJVPA-UHFFFAOYSA-N 418.522 5.088 0 40 HKAB CC1(C)CC(N(Cc2cnn(C3CCCCC3)c2)Cc2ccccn2)CC(C)(C)N1 36740515 FBCZFVANWFYVBO-UHFFFAOYSA-N 409.622 5.095 0 40 HKAB CC(C)C[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 38771620 OTOYJSNXMWWUHW-XMMPIXPASA-N 407.941 6.436 0 40 HKAB Cc1ccc([C@@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2)cc1 44880664 UUYVUTHXSRMVHU-FQEVSTJZSA-N 406.334 5.370 0 40 HKAB Cc1cccc(C)c1OCc1nc2c3c4c(sc3ncn2n1)C[C@@H](C(C)(C)C)CC4 44928662 UAYGZANUNZUISD-INIZCTEOSA-N 420.582 5.686 0 40 HKAB CCc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079068 DGLQEQGDZHCJON-UHFFFAOYSA-N 402.469 5.233 0 40 HKAB COc1ccc(-c2csc3ncnc(Oc4cccnc4Br)c23)cc1 53584465 JQVBDTWICYMHPT-UHFFFAOYSA-N 414.284 5.317 0 40 HKAB CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1cccc(C(F)(F)F)c1)NC2 55028088 CQOBAAMBTUVMNK-QFIPXVFZSA-N 416.443 5.486 0 40 HKAB Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1NC(=O)c1ccco1 57313337 ZHECBPIXBQPHFM-SDNWHVSQSA-N 412.445 5.752 0 40 HKAB O=C(NCCCc1ccccc1)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 64472787 FWYSHCLJNILXDQ-UHFFFAOYSA-N 420.965 6.222 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C(=O)N4CCCC[C@@H]4C)cc3C)cs2)o1 65475588 WJQJOHJATSQRSZ-HNNXBMFYSA-N 423.538 5.287 0 40 HKAB CCc1ccc(NC(=O)[C@@H](Cc2ccccc2OC)c2nc3ccccc3s2)cc1 67240439 SHFHKVCKBUJPKV-HXUWFJFHSA-N 416.546 5.832 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1cc(F)cc(F)c1 67294531 YHSSYNLCGCLSNF-QYQHSDTDSA-N 410.807 5.849 0 40 HKAB Cc1ccc(Oc2cc(CNC(=O)c3cc(F)c(F)cc3Cl)ccn2)cc1C 71800120 XKGUQYAWZKFFGS-UHFFFAOYSA-N 402.828 5.352 0 40 HKAB COc1cccc(-c2c[nH]nc2[C@H]2CCCN2C(=O)CCc2ccc(Cl)cc2)c1 72380384 VQGCHFVTHYEPPF-OAQYLSRUSA-N 409.917 5.035 0 40 HKAB Cc1nc(C2(NC(=O)c3ccccc3)CCCCC2)sc1C(=O)Nc1ccccc1 78809101 PEEZAFBVXFDMLL-UHFFFAOYSA-N 419.550 5.293 0 40 HKAB O=C(N[C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F)c1ncoc1[C@@H]1CCCO1 95458915 XVZMJIFRTXELJK-JQHSSLGASA-N 422.447 5.391 0 40 HKAB COc1cccc(C(=O)Nc2ccc(-c3csc(Nc4cccnc4)n3)cc2)c1 96124426 BMMRQXJMBAZQDL-UHFFFAOYSA-N 402.479 5.210 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2ccccc2)c(-c2ccccc2)c1=O 101308876 WYFAJHMXLYFHQG-UHFFFAOYSA-N 415.880 5.114 0 40 HKAB OC1=C2C(=Nc3ccccc3S[C@@H]2c2ccc(Cl)cc2Cl)c2ccccc21 101424606 XWRMPKFONJFXAD-JOCHJYFZSA-N 410.325 7.244 0 40 HKAB Fc1ccc(C2=C[C@@H](c3cccc(Br)c3)n3c(nc4ccccc43)N2)cc1 101642230 CSARALOZVJXCNR-NRFANRHFSA-N 420.285 5.994 0 40 HKAB CC1(C)CC(=C2C=C[C@H]3[C@H]2[C@H]2C=C[C@H]3C2=C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1 101992658 JWTSWIHDBSKTDE-SVPADUAOSA-N 406.658 6.079 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2Cl)cc1 102683769 OZCOSAXNFYJDAO-GMAHTHKFSA-N 409.316 6.544 0 40 HKAB Cc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1C 107931415 ZIAGPKLXHRDJQS-UHFFFAOYSA-N 409.363 5.952 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 214428429 PTVNXPSIXJPGBY-RQZCQDPDSA-N 408.306 5.629 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](c1ccccc1)c1ccccc1C 216272723 XZFGJTMYLMYIHN-DHIUTWEWSA-N 409.982 6.425 0 40 HKAB O=C(O)Cc1ccc2c(c1)CCCN2C(=O)OCC1c2ccccc2-c2ccccc21 217774861 ANSCWQDBMGAUQD-UHFFFAOYSA-N 413.473 5.015 0 40 HKAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(OCc2ccccc2Cl)cc1 218990527 NTIUVBKEXUVQMK-UHFFFAOYSA-N 421.924 6.493 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)CSCc1ccccc1F)c1ccccc1 222701468 OMVRTGXBPNECJP-KRWDZBQOSA-N 422.525 5.189 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1C(C)C 223267287 QRGOQOPZLXRUNJ-HOTGVXAUSA-N 405.991 6.138 0 40 HKAB COc1cc(C)c(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C(C)C 223536605 RXXGDQWYSHFCRO-UHFFFAOYSA-N 411.523 5.720 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1c1ccccc1 224153495 KBNXKKNVSJTPEM-SJORKVTESA-N 416.369 5.083 0 40 HKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(CN2CCc3ccccc32)cc1 224338041 XFEXORMMVMYKNV-UHFFFAOYSA-N 404.513 5.753 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)N[C@H](C)CC)cc1 225550092 LNOKWGXXTVYRHS-BWKNWUBXSA-N 422.613 5.212 0 40 HKAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225699897 BKFREOASLTYGHN-GBXCKJPGSA-N 404.595 5.254 0 40 HKAB CCO[C@]1(C(=O)Nc2ccc(OCCCN3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225716343 HXZRBLHJDVOPBD-DNRQZRRGSA-N 416.606 5.111 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc12 225770341 MDZCIDHUTCJZQO-LJQANCHMSA-N 403.522 5.704 0 40 HKAB O=C(COc1cccc(C(F)(F)F)c1)N[C@H]1CC2(CCCCC2)Oc2ccccc21 225808994 QRYSCRAYGMMODW-IBGZPJMESA-N 419.443 5.427 0 40 HKAB COc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cc1OC 225850147 CTAWNEQQSJOGBJ-UHFFFAOYSA-N 418.990 5.589 0 40 HKAB COc1cccc(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c1 257245918 IRQRYKDCDAKNHL-QFIPXVFZSA-N 424.928 5.224 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3cccc(Cl)c3)N21 260763034 IEIUJRUMXVYQIH-CZAAIQMYSA-N 408.958 5.505 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3)oc2c1 408575213 SXQSDQHQIMVFPO-DTQAZKPQSA-N 420.468 6.715 0 40 HKAB Cc1ccc(C(C)C)c(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)c1 408673003 WBTJWDFSNGQMMW-AWEZNQCLSA-N 406.309 5.384 0 40 HKAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1C 409097616 MVTJRZSJXZBFKJ-UHFFFAOYSA-N 421.353 5.230 0 40 HKAB COCCCN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 409239019 YODIARJEFXUEFV-QGOAFFKASA-N 419.955 5.564 0 40 HKAB Cc1ccc(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1C 409382922 YBEQYFAYFFCRQH-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB CCOC(=O)CCC1(CCC(=O)OCC)c2ccccc2-c2nc3ccccc3cc21 1058114 RLEGGVISLDMBRR-UHFFFAOYSA-N 417.505 5.188 0 40 HKAB O=c1cc(-c2ccc(Cl)cc2)oc2c(Br)cc(Br)cc12 1080967 VUVSGSUJUMSUHV-UHFFFAOYSA-N 414.480 5.638 0 40 HKAB biogenic,in-vitro COc1cc(N[C@@H](C)CCCN)c2ncccc2c1Sc1ccc(Cl)cc1 1568048 ASBAZZCYURIEJD-AWEZNQCLSA-N 401.963 5.587 0 40 HKAB CCCc1ccc(OCCCC(=O)Nc2ccc(I)cc2)cc1 1787222 IMHSPZPWRXCMJU-UHFFFAOYSA-N 423.294 5.041 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)C[C@@H](C(C)C)OC3 1829181 HISFHJJUIHLSDA-INIZCTEOSA-N 406.617 5.563 0 40 HKAB Nc1c(C(=O)c2ccc3c(c2)Cc2ccccc2-3)sc2nc3c(cc12)CCCCC3 2151012 GFZNWHIITOHWRQ-UHFFFAOYSA-N 410.542 5.950 0 40 HKAB O=C(Cc1cccc2ccccc12)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 2315809 JTUPYDFVUCIEGQ-UHFFFAOYSA-N 420.512 5.614 0 40 HKAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccc(Cl)cc4Cl)nc32)cc1C 2431879 KJKQDXWPRSXIBN-UHFFFAOYSA-N 409.280 5.054 0 40 HKAB Clc1ccc(-c2csc(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)n2)cc1 2578039 OZIWWUZIYBQZMW-UHFFFAOYSA-N 424.784 6.097 0 40 HKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)c(C)c1 2887638 MBJBOTQOHLFFED-UHFFFAOYSA-N 420.365 5.708 0 40 HKAB O=C(CCCOc1ccc(Cl)cc1Cl)OCc1csc(-c2ccccc2)n1 3279293 VQKONZZOXDCJPF-UHFFFAOYSA-N 422.333 6.019 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccccc1Oc1ccccc1 3298194 RGWKLMNFPBQPQB-UHFFFAOYSA-N 412.923 6.570 0 40 HKAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccc2ccccc2c1 3317730 QTDBAYGOWPDBFJ-UHFFFAOYSA-N 413.857 5.643 0 40 HKAB COc1ccc2c(CC(=O)OCc3csc(Nc4ccc(C)cc4)n3)coc2c1 3378154 KKEYPMZSWZNAIE-UHFFFAOYSA-N 408.479 5.236 0 40 HKAB Fc1cc(Br)ccc1CSc1ncnc2c1cnn2-c1ccccc1 3378386 VTTLVOHPZMERTE-UHFFFAOYSA-N 415.291 5.009 0 40 HKAB CC(C)COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc3ccccc3c2)cc1 3666295 RNHMYCVIMDJTRN-MHZLTWQESA-N 422.528 6.646 0 40 HKAB CCc1ccc2oc(-c3cccc(NC(=O)c4cc(Cl)ccc4OC)c3)nc2c1 3770779 QVTNEPMGBAGBKR-UHFFFAOYSA-N 406.869 5.972 0 40 HKAB COc1ccc(-c2cc(C3CCN(Cc4cccc(C(F)(F)F)c4)CC3)n[nH]2)cc1 4025203 LISDNWVPJBZAES-UHFFFAOYSA-N 415.459 5.484 0 40 HKAB CC1(C)C[C@@H]([C@@H](CCCNCc2ccc3c(c2)OCO3)Cc2ccccc2)CCO1 4029665 JYERWXVLRXXYAJ-GOTSBHOMSA-N 409.570 5.349 0 40 HKAB biogenic Cc1cc(NC(=O)Nc2c(-c3c(Cl)cccc3Cl)noc2C)ccc1C(C)C 4107586 KPTDWVXAYJILBC-UHFFFAOYSA-N 418.324 7.033 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 4424596 GPKWDRMEUXTLNI-ISKFKSNPSA-N 420.896 5.600 0 40 HKAB CCc1ccc([C@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(F)cc2)cc1 4743661 YWOXZAHRTAFHTB-VWLOTQADSA-N 403.541 7.112 0 40 HKAB O=c1c(Cl)c(NCCc2ccc(Cl)cc2)cnn1C12CC3CC(CC(C3)C1)C2 4924266 YMBUZUNAUOBWKX-UHFFFAOYSA-N 418.368 5.130 0 40 HKAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1cccc(C(C)=O)c1 5520836 QDGQQJKNCMMWDM-UHFFFAOYSA-N 402.372 5.377 0 40 HKAB Cc1ccc(-n2c(SCc3c(F)cccc3F)nnc2-c2cccc(C)c2)cc1 6044471 HBQAWJWNTUZJKF-UHFFFAOYSA-N 407.489 6.122 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3nc4ccccc4s3)c3ccccc3n2)cc1 6230612 JVFPCICIGJIBLC-UHFFFAOYSA-N 411.486 5.772 0 40 HKAB O=C(O)[C@@H](Sc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccccc1 6242457 QVDFIHKYOWALFD-FQEVSTJZSA-N 406.894 5.868 0 40 HKAB C[C@]12CC[C@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1c2nc2ccccc2c1C(=O)O 6500166 YXDIPGYMNWXTTF-MTEUTJCUSA-N 419.565 5.350 0 40 HKAB CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccc(F)cc2)c2ccccc21 6719470 QHIKJEKWFYUUDU-MZNJEOGPSA-N 402.469 5.359 0 40 HKAB C[C@@H]1c2ccsc2CCN1C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 7830857 IVQVGDISVRYTSX-MRXNPFEDSA-N 418.537 6.114 0 40 HKAB Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O 7928302 GYJZZFCCMZCUHS-IBGZPJMESA-N 400.478 5.087 0 40 HKAB O=C(Nc1ccc2c(c1)OCCCO2)c1cn(-c2ccccc2)nc1-c1cccs1 8073397 FFIDUXYSMPUVQA-UHFFFAOYSA-N 417.490 5.014 0 40 HKAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc(NC(=O)c2cccs2)cc1 9387024 PWWCVRJCRVSDTJ-UHFFFAOYSA-N 405.504 5.376 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc3ccccc3oc2=O)cc1 9591350 KNKLNBFSFXKZHK-UHFFFAOYSA-N 423.424 5.331 0 40 HKAB Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1 11572549 VVOJDERDZNOCSS-UHFFFAOYSA-N 405.523 5.161 0 40 HKAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCC1 12660800 QOOBALYSFKEPFP-IYBDPMFKSA-N 416.566 5.081 0 40 HKAB O=C(CCCOc1cccc(Br)c1)Nc1nc(-c2ccccc2)cs1 13076159 WGWCJXKDCLPRNB-UHFFFAOYSA-N 417.328 5.370 0 40 HKAB Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O 13748672 GOWILIUYCNKBPL-IBGZPJMESA-N 415.924 5.567 0 40 HKAB O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1cc(Cl)ccc1Cl 14008920 AKHXKQXYNKUPJR-UHFFFAOYSA-N 414.701 5.330 0 40 HKAB Cc1ccc(Sc2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3)cc2)c(C)c1 14818803 LTQXNTRDYMEITM-UHFFFAOYSA-N 411.548 5.110 0 40 HKAB COc1cccc([C@H]2CC(O)=Nc3sc(C(=O)Nc4ccc(F)cc4)c(C)c32)c1 15106724 AENNYNISIJJJQZ-QGZVFWFLSA-N 410.470 5.580 0 40 HKAB Cc1cc(=O)oc2cc(Oc3ncnc4scc(-c5ccccc5Cl)c34)ccc12 15225620 UYCHZYUTCIHDSB-UHFFFAOYSA-N 420.877 6.219 0 40 HKAB O=C(CCCSc1nnc(NCc2ccc(F)cc2)s1)c1ccc(F)cc1 15623743 UESVSHRGLWMCRB-UHFFFAOYSA-N 405.495 5.184 0 40 HKAB COC(=O)c1ccc(Cn2nc(-c3ccc(C)c(C)c3)cc2-c2ccc(C)c(C)c2)cc1 17094047 BJIZODXYHUINGR-UHFFFAOYSA-N 424.544 6.286 0 40 HKAB O=C(Nc1cccc(CNCc2ccc(Cl)cc2Cl)c1)c1ccccc1Cl 17310643 JHHOHKORMNEBOT-UHFFFAOYSA-N 419.739 6.189 0 40 HKAB Cc1ccc2nc(-c3ccccc3)c(CN3CCN(c4cccc(Cl)c4)CC3)n2c1 20366669 RAYGZJINLPCYEI-UHFFFAOYSA-N 416.956 5.285 0 40 HKAB CCCc1n[nH]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1 22109723 KRBRLUWGBZLEBO-UHFFFAOYSA-N 423.369 5.523 0 40 HKAB FC(F)(F)c1ccc(-c2nc(CN3CCN(c4ccccc4)CC3)cs2)cc1 22514887 MVHGIHQPIQBEGW-UHFFFAOYSA-N 403.473 5.151 0 40 HKAB COc1ccc([C@@H]2NC[C@@H](c3ccccc3Cl)c3c2[nH]c2ccccc32)cc1OC 24334915 FUOOGJQRZOPVRP-UUOWRZLLSA-N 418.924 5.663 0 40 HKAB Cc1nc(CCNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cs1 28251601 ZDSYBGNBFRPIPY-UHFFFAOYSA-N 405.759 5.599 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 30941399 KYKMLZGHJJVSAM-FQEVSTJZSA-N 404.485 5.469 0 40 HKAB CC1(C)C[C@@H](NCC[C@@](C)(c2cccc(C(F)(F)F)c2)c2cccs2)CCO1 32088215 XSYUWWKDVJBTIA-RXVVDRJESA-N 411.533 6.010 0 40 HKAB CCC(CC)(Cc1nc2ccccc2s1)C(=O)Nc1ccc(N2CCOCC2)cc1 32876580 WXIONPHTXWYKAI-UHFFFAOYSA-N 423.582 5.121 0 40 HKAB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1ccc(Cl)cc1Cl 35647464 MQHNBAOQONKZNR-VGOFMYFVSA-N 417.239 5.904 0 40 HKAB O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(-c2nc3ccccc3s2)s1 40087160 CXYIIUCCBYUTOE-UHFFFAOYSA-N 412.443 5.147 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(-n3ccnc3C)c(F)c2)cc1OC 40155012 DMUXCQPDJSKHDX-UHFFFAOYSA-N 417.868 5.023 0 40 HKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(CSc2ccccc2)cc1 44847000 OZUCDEOVRSABCL-HSZRJFAPSA-N 405.563 6.392 0 40 HKAB C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(C(C)(C)C)cc1 44905995 REZZNYQNGPCGNY-NQIIRXRSSA-N 413.005 5.727 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(F)c1 49005095 DFMZOMAPBHMMTN-INIZCTEOSA-N 410.468 5.365 0 40 HKAB Cc1ccc(Sc2ccc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)o2)cc1 50547903 UQWSXZPYPWAFES-PDGQHHTCSA-N 408.504 5.833 0 40 HKAB O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NCCc1ccc(F)cc1 58067540 VWFXGFCCQZBYKK-HSZRJFAPSA-N 413.945 5.661 0 40 HKAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)Nc1ccccc1Sc1ccccc1 58130356 ZMLQEIIRRLWLHC-UHFFFAOYSA-N 419.550 5.557 0 40 HKAB CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OCc1ccccc1 59463872 AEKQBVBMVUUYAR-JCMHNJIXSA-N 413.473 5.317 0 40 HKAB C[C@@H](Nc1ccc(OCc2ccccn2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1 60168523 NCMLPWYLZXCKJP-CQSZACIVSA-N 416.308 5.407 0 40 HKAB Cc1ccc(-c2csc(C(=O)NCc3ccc(C(C)C)cc3)c2-n2cccc2)cc1 64472605 APLPBTRXOTTWPI-UHFFFAOYSA-N 414.574 6.568 0 40 HKAB Cc1cc2n(n1)[C@H](C)C[C@@H](C(F)(F)F)N2C(=O)c1ccc(SC(F)(F)F)cc1 89610760 JKJDNNZMDMRFRB-MFKMUULPSA-N 423.382 5.346 0 40 HKAB Cc1ccc(-c2cc(-c3ccc(NC(=O)CN4CCCC4)cc3)nc3ccccc23)cc1 95945632 LXMTZLIMRABOEK-UHFFFAOYSA-N 421.544 5.912 0 40 HKAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cccc3ccccc23)S1 96118261 NJZKWLJAYGXQMC-OXQOHEQNSA-N 407.539 5.346 0 40 HKAB CC1=C[C@@H](C)[C@@H](C2OCC3(CO2)COC([C@H]2[C@@H](C)CC(C)=C[C@H]2C)OC3)[C@@H](C)C1 100740820 JLEHIYGUDHRGOJ-BKFSJXRNSA-N 404.591 5.195 0 40 HKAB CCOc1ccccc1CCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 219843376 PZYDDUORFWANHQ-UHFFFAOYSA-N 423.940 5.680 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccccc1F 222930670 ZPZMPUCGFIXDDO-NRFANRHFSA-N 403.563 5.330 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](CC)c1ccc2c(c1)CCCC2 223100077 VQVJCBUATYWDOE-VXKWHMMOSA-N 402.003 6.357 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)NCCOc3ccccc3C(C)C)cc2)cc1 223749216 KXSIZKVFGXOGSS-UHFFFAOYSA-N 419.590 6.220 0 40 HKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 223825336 JUUMEORCEZGELE-VXKWHMMOSA-N 406.555 5.040 0 40 HKAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc2c(c1)oc1ccccc12 224214210 DODQLFYGINLLCN-UHFFFAOYSA-N 406.290 5.835 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 224219494 GICHSTNSALIDDC-ZEQRLZLVSA-N 416.594 5.874 0 40 HKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2sccc2C)cc1Cl 224947889 TWUPQZMCMVJGFH-ROUUACIJSA-N 415.971 5.291 0 40 HKAB CCCCOc1c(C)cc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C 225560230 NFZZWNMYMRNTAM-UHFFFAOYSA-N 409.570 6.332 0 40 HKAB CCOc1ccccc1-c1ccc(C(=O)O)c(COc2ccc(C(C)(C)CC)cc2)n1 257257181 KOJWWBAJHRZKPW-UHFFFAOYSA-N 419.521 6.112 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1 408748683 BRGPKRFLMAMEHD-UHFFFAOYSA-N 424.978 6.803 0 40 HKAB CCc1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)sc2CC(=O)O)cc1 408889296 CEPXQGWZGAPHIU-UHFFFAOYSA-N 407.322 6.050 0 40 HKAB O=C1Nc2ccccc2S/C1=C\c1ccccc1OCc1cccc2ccccc12 409105841 LFMOMHRLMXWVLG-XYGWBWBKSA-N 409.510 6.504 0 40 HKAB Brc1ccc(Cn2cc(-c3nc4ccccc4s3)c3ccccc32)cc1 409189872 JQVOPKIZPVJPRB-UHFFFAOYSA-N 419.347 6.729 0 40 HKAB Cc1s/c(=N\C(=O)c2ccccc2Br)n(C)c1-c1ccc(Cl)cc1 409194853 DARWHQXADVXWCO-UZYVYHOESA-N 421.747 5.219 0 40 HKAB Fc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 409205444 COTYXGHBTVANFV-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB Cc1cccc(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1 409380750 HRERBVRKPSWQJN-UHFFFAOYSA-N 406.334 5.697 0 40 HKAB O=C(Oc1ccccc1-c1nc2ccccc2o1)c1cc(F)c(Cl)nc1Cl 632654 XTLGAUARRZWTCE-UHFFFAOYSA-N 403.196 5.555 0 40 HKAB Nc1c(Br)cc2oc(-c3cccc(Cl)c3)nc2c1Br 1301518 MBLXQCBFZVFKHK-UHFFFAOYSA-N 402.473 5.255 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1cccc(Cl)c1 1946607 BITXZBTVLKLMDW-UHFFFAOYSA-N 417.679 6.707 0 40 HKAB CCc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cccc(C)c1 2405901 MSSYMDQLBRZHFU-UHFFFAOYSA-N 418.522 5.045 0 40 HKAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(C)ccc2C)c1 2422604 UIGVLZDIRCOUIJ-UHFFFAOYSA-N 418.522 5.099 0 40 HKAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc(Cl)cc1 2600732 IFJCZMQJJFZHKR-UHFFFAOYSA-N 413.808 5.140 0 40 HKAB COc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3ccc(C)cc3C)oc12 2686815 GMUUGPKZMMXHDL-IZHYLOQSSA-N 419.502 5.123 0 40 HKAB CC(C)Cc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3n2)cc1 2764003 SQRGXFAYIOHJAT-UHFFFAOYSA-N 422.572 7.476 0 40 HKAB Cc1nc2ccc(NC(=O)COc3ccc(OCc4ccccc4)cc3)cc2s1 3349002 WGOZNJFFLNBHCH-UHFFFAOYSA-N 404.491 5.201 0 40 HKAB Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2ccc(-c3ccccc3)cc2)cc1 3379139 LYHHOHKOPXSVEP-HHHXNRCGSA-N 404.513 6.429 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)c3oc4c(c3c2)C(=O)CC(C)(C)C4)cc1 4162260 XKKWPHJJJRNYLA-UHFFFAOYSA-N 417.914 5.351 0 40 HKAB CCC[C@@H]1[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@]1(O)CCC 4652823 FFNLFWCXKWZQKH-AEXWLAFLSA-N 420.424 6.963 0 40 HKAB CCCC[C@@H](CC)CSCCOC(C)OCCSC[C@H](CC)CCCC 4783611 KTDUKFNZFGTHEB-FGZHOGPDSA-N 406.742 7.265 0 40 HKAB COCCCNc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CCC3 5163245 UFUGGCMROGKBBD-UHFFFAOYSA-N 402.589 5.022 0 40 HKAB Cc1c([C@@H]2[C@H](CCNC(=O)c3ccccc3)C2(C)C)c2ccc3ccccc3c2n1C 5477735 GPAQXIUXIAYECU-ZCYQVOJMSA-N 410.561 6.200 0 40 HKAB Cc1cccc(N2C(=O)/C(=C\c3cccc(C(F)(F)F)c3)c3ccccc3C2=O)c1 5937688 NUFZTFYAHMYMLP-STZFKDTASA-N 407.391 5.741 0 40 HKAB COc1ccc(OCC(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1 6034444 LBMDJKYLXCLYTM-UHFFFAOYSA-N 402.450 5.138 0 40 HKAB COc1ccccc1[C@H](C)NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 6309497 YJHBOMBRXQTWOH-INIZCTEOSA-N 411.954 6.132 0 40 HKAB O=C(COC(=O)c1cccc2ccccc12)Nc1ccc(Cl)cc1C(F)(F)F 6886674 JMXJLLVLSARKJW-UHFFFAOYSA-N 407.775 5.308 0 40 HKAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCC[C@@H]1c1nc2ccccc2s1 7989548 FPYCMEZZLWUEMC-HXUWFJFHSA-N 402.519 5.853 0 40 HKAB COc1ccccc1-c1c(-c2ccc(OCc3ccccc3Cl)cc2O)n[nH]c1C 8743782 NLHYFXDNCQOPRH-UHFFFAOYSA-N 420.896 5.999 0 40 HKAB Cc1ccc(-c2cc(=O)c3cc(NC(=O)Nc4ccc(Cl)cc4)ccc3o2)cc1 9660159 VYDAKIIKFKQCNL-UHFFFAOYSA-N 404.853 6.066 0 40 HKAB biogenic O=C(c1cccc(Cl)c1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 10187649 XDXQDKPYXYYAHD-UHFFFAOYSA-N 415.852 5.470 0 40 HKAB C[C@@H]1Cc2cc(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)ccc2O1 10299083 CFZHNIXZKMNNSF-CQSZACIVSA-N 406.522 5.410 0 40 HKAB CCN(C(=O)CSc1nc(C2CC2)nc2ccccc12)c1nc2ccccc2s1 10946175 QORQLFTVWUGMQR-UHFFFAOYSA-N 420.563 5.262 0 40 HKAB Cc1ccc(OCCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)cc1C 11667182 PSQFNUDAFQFFIK-UHFFFAOYSA-N 417.509 5.035 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCc3nc4ccccc4n3C(F)F)o2)cc1 14902872 NYCMVBDVQHSBQJ-UHFFFAOYSA-N 414.481 6.071 0 40 HKAB Cc1nc(C2(NC(=O)CSC(c3ccccc3)c3ccccc3)CCCCC2)no1 23508017 JLCMMFPQDYLYEJ-UHFFFAOYSA-N 421.566 5.176 0 40 HKAB Cc1cc2oc(C(=O)NC[C@H](c3ccccc3)c3c[nH]c4ccccc34)c(C)c2cc1C 28287916 IUEIRYBRVJSDEK-HSZRJFAPSA-N 422.528 6.401 0 40 HKAB O=C(N[C@@H](Sc1nc2ccccc2s1)C(Cl)(Cl)Cl)c1ccccc1 28293977 XGHLPPVQQUSRIQ-AWEZNQCLSA-N 417.770 5.515 0 40 HKAB C[C@H](CCc1ccccc1)NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 30943815 PTOOZNWNIWNXIC-QGZVFWFLSA-N 419.396 5.343 0 40 HKAB Cc1ccc(Nc2c(-c3cc(C(C)C)c(O)c(C(C)C)c3)nc3cnccn23)c(C)c1 35606605 XNKFRCWFHHXZHR-UHFFFAOYSA-N 414.553 6.709 0 40 HKAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1cccnc1 37868565 OHFRJZYCAMAOTN-IADCTJSHSA-N 409.470 5.287 0 40 HKAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(C3SCCS3)cc2)cc1OC 40039789 JCEHMEZJEFTEIF-GOSISDBHSA-N 415.580 5.160 0 40 HKAB CCc1ccccc1NC(=O)CSc1nc2ccccc2n1Cc1cccc(C)c1 41076831 AYMQOKVNESJUDA-UHFFFAOYSA-N 415.562 5.686 0 40 HKAB Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)Nc2nccs2)cc1 44086435 UUQUHDALJJVUCR-UHFFFAOYSA-N 406.536 5.035 0 40 HKAB COc1ccc(-c2cnc(SCc3ccc(F)cc3)n2-c2ccc(F)cc2)cc1 44087051 LHXPAQOOKVGYMO-UHFFFAOYSA-N 408.473 6.118 0 40 HKAB O=C(O)C[C@@H]1c2ccccc2CCN1C(=O)OCC1c2ccccc2-c2ccccc21 44197844 RHKMQYBFMUXKQN-XMMPIXPASA-N 413.473 5.010 0 40 HKAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2ccccc2F)cc1 59186123 BCALBZZFHSQILN-ODLFYWEKSA-N 413.370 5.916 0 40 HKAB O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccccc1C(F)(F)F 67296116 HFSBQNDQLJJHFR-BWAHOGKJSA-N 415.396 5.393 0 40 HKAB O[C@H](c1ccccc1)C1CCN(c2ccc3cc(Br)c(F)cc3n2)CC1 72307802 BMFSNDSSQUYEJK-OAQYLSRUSA-N 415.306 5.086 0 40 HKAB Clc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1Cl 73639975 BKSKDBZIWJBVGW-UHFFFAOYSA-N 419.105 7.231 0 40 HKAB Cn1/c(=N\C(=O)c2ccc(-c3ccccc3)cc2)sc2cc(Br)ccc21 100809001 AHUDRRHVMAYJMJ-XTQSDGFTSA-N 423.335 5.410 0 40 HKAB CC1(C)CC2=Nc3ncnn3[C@H](c3ccc(OCc4ccccc4)cc3)C2=C(O)C1 102667047 QMSNDHYSMMQJHS-JOCHJYFZSA-N 400.482 5.165 0 40 HKAB COc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Cl 107042438 MFDDOEQODOVEPL-UHFFFAOYSA-N 416.348 6.810 0 40 HKAB CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)c1ccccc1 107971175 NRQCXCVNBZAMKK-UHFFFAOYSA-N 417.534 5.314 0 40 HKAB CCc1nnc(S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)O)o1 210788532 VHPXRHKGDRHLLD-PTNGSMBKSA-N 404.532 5.150 0 40 HKAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)c1 214627311 GXCUZVNVFDBSED-HZHRSRAPSA-N 415.514 5.811 0 40 HKAB CC(C)OCCCNC(=O)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1)N2 222424774 DDHDYFBHPANCQY-VDZGFBAESA-N 418.581 5.528 0 40 HKAB S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ncc(Cl)cc1Cl 223912745 FTCUTHJOAXBDOP-UHFFFAOYSA-N 412.729 5.788 0 40 HKAB O=C(NCCc1ccc(Cl)cc1)c1ccc(CN2CCCc3ccccc32)cc1 224328466 VIKXLCSOTQLUTP-UHFFFAOYSA-N 404.941 5.265 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c2ccccc2O1 224994594 HVNGDBBQHWLVTC-LJQANCHMSA-N 401.934 5.696 0 40 HKAB CCC1(CC)C[C@H](NC(=O)CCc2ccc(Cl)cc2Cl)c2ccccc2O1 225366108 PTLKZYXRAWTIMO-IBGZPJMESA-N 406.353 6.125 0 40 HKAB CCCO[C@@]1(C(=O)Nc2ccc(OCCCN(CC)CC)cc2)CCC[C@H](C)C1 225663697 DCMNOCLNCQNAIT-RDPSFJRHSA-N 404.595 5.111 0 40 HKAB COc1ccc(Cl)cc1NC(=O)NCC1(c2ccc([C@H](C)O)s2)CCCC1 225686086 IMVRRBHBXHWGNN-ZDUSSCGKSA-N 408.951 5.097 0 40 HKAB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c2cccnc12 225885359 LIMUZKPNBHSHII-UHFFFAOYSA-N 400.563 5.830 0 40 HKAB Nc1cc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc(Cl)c1Cl 226303319 RHVSFNOLOOGRAS-UHFFFAOYSA-N 415.364 6.296 0 40 HKAB Cc1ccccc1Oc1ccc(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 408621094 NPJNIERDYKAITN-UHFFFAOYSA-N 406.840 7.071 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3)n2)cc1 408696052 VMUTWKXDNFFBDM-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1cccc(C)c1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 408697841 LSBZPTIDVOOUJX-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3cccc4ccccc34)CC2)cc1 409050891 CHKQWXOAVIIOQV-UHFFFAOYSA-N 414.549 5.628 0 40 HKAB CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)NC1=S 409081019 OYMNRIICRZAZEB-BOPFTXTBSA-N 421.349 5.040 0 40 HKAB CC(C)N1C(=O)S/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)C1=O 409126251 BHMKXXVXWPRTRJ-BKUYFWCQSA-N 424.497 5.304 0 40 HKAB Cc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409178729 HVUQFMLULNUMCY-DHYWSWINSA-N 422.572 6.222 0 40 HKAB Cc1cc(OC[C@]2(O)CCCN(C(=O)c3ccccc3Cl)CC2)cc(C)c1Cl 2037912494 LPZXKALLPBTTAQ-QFIPXVFZSA-N 422.352 5.046 0 40 HKAB COc1ccc2c(c1)N(C(=O)c1ccccc1F)C(C)(C)c1ssc(=S)c1-2 822391 WCAXKAUPSRHQCM-UHFFFAOYSA-N 417.552 6.249 0 40 HKAB Cc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(Br)c1 853538 BNWCKXYKFSIOCW-UHFFFAOYSA-N 415.139 6.531 0 40 HKAB CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2F)c2ccccc2)C[C@@H]1C 974766 OGNCBBCPTNZPKR-BXKMTCNYSA-N 402.469 5.359 0 40 HKAB CCOc1ccccc1C(=O)Nc1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl 1006490 BVUZCQMUHTYEQZ-UHFFFAOYSA-N 412.848 5.382 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1cccnc1Cl 1413793 DYMRZVXPNPCPRO-UHFFFAOYSA-N 400.290 5.917 0 40 HKAB O=C(Nc1ccc(Cl)cc1)SCCSC(=O)Nc1ccc(Cl)cc1 1732731 ZRAJZHKRYXXKGE-UHFFFAOYSA-N 401.340 6.224 0 40 HKAB COc1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1 2250110 VOAAXZKXQOBSES-UHFFFAOYSA-N 408.505 5.942 0 40 HKAB CCCCOc1ccc(Cc2c(Cl)nc(SC)nc2N2CCCCC2)cc1 2277349 DZAWLGNZXMPZRV-UHFFFAOYSA-N 405.995 5.612 0 40 HKAB CCSc1nnc(-c2ccc(C)c(NC(=O)c3cccs3)c2)c2ccccc12 2392817 INZQGKGCPBEMKA-UHFFFAOYSA-N 405.548 6.031 0 40 HKAB COc1cc(C(=O)NC2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl 2632504 IDUOFKIZOBBTII-UHFFFAOYSA-N 408.325 5.644 0 40 HKAB Cc1cccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)c1 2714649 UXLDRYJFKMMCCR-UHFFFAOYSA-N 410.908 6.793 0 40 HKAB Cc1ccc(C)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c1 2951240 BIFOVVSXNFKDGV-GFMRDNFCSA-N 409.898 5.644 0 40 HKAB CC(NC(=O)N(Cc1ccccc1)Cc1ccccc1)(C(F)(F)F)C(F)(F)F 3188961 TVEQOMOZIHLSCK-UHFFFAOYSA-N 404.354 5.282 0 40 HKAB biogenic Cc1ccccc1NC(=O)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 4364794 INDVPNLGCUYICS-FCWHHTIYSA-N 408.545 6.544 0 40 HKAB Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3=O)cc2)c1 4514958 XOJMJVWDKKIYTI-YGVUDDDKSA-N 401.506 5.612 0 40 HKAB O=C(NCc1ccccc1)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 4659745 YNRMLNXHMMIREF-UHFFFAOYSA-N 406.485 5.536 0 40 HKAB CC(C)=CCC[C@H](C)CCNC[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]21 4666707 GFNAIMIAENVOOC-DNEFNOKRSA-N 423.729 8.183 0 40 HKAB CCOc1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2Cl)cc1Cl 4689110 RAWGEQPPNIVLRZ-UHFFFAOYSA-N 403.718 5.172 0 40 HKAB Cc1ccc2sc(N3CCN(C(=O)c4cccc5ccccc45)CC3)nc2c1C 5240004 KWAMIMHBJQSMKG-UHFFFAOYSA-N 401.535 5.029 0 40 HKAB CCN(CC)CCC[C@@H](C)Nc1ncnc(Cl)c1C(=C(C)C)c1ccccc1 5561590 OPPIXXYSSVPYDH-GOSISDBHSA-N 400.998 5.894 0 40 HKAB O=C(Nc1ccc(Cc2ccc(NC(=O)NC3CCCC3)cc2)cc1)NC1CCCC1 5569714 WULQVAOKPBTHMJ-UHFFFAOYSA-N 420.557 5.406 0 40 HKAB CCN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2Cl)CC1 5644261 WFCMSHKCWDMKNV-UHFFFAOYSA-N 412.748 5.041 0 40 HKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(-c3ccccc3)cc2)cc1 5745604 MOLSDNAPSHRQLC-XRKRLSELSA-N 416.524 6.904 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(C(C)C)cc4)cc3)nc2c1 5954074 SYMCVSXULXKCCM-SFHVURJKSA-N 412.533 7.384 0 40 HKAB CSc1ccc(CN(C)C[C@@H](O)CO[C@@H](c2ccccc2)c2ccc(C)cc2)cc1 6530329 NXDKGKAEGNEFPJ-RSXGOPAZSA-N 421.606 5.316 0 40 HKAB CCc1ccc2c(c1)C(c1ccc(OC)c(OC)c1)=NNC(c1ccc(Cl)cc1)=N2 6844046 JNHFECMFJRIAIQ-UHFFFAOYSA-N 419.912 5.354 0 40 HKAB C[C@H](OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1cc(Cl)ccc1Cl 6898979 HFVWQNDWSVHSRT-NSHDSACASA-N 404.249 5.036 0 40 HKAB Cc1ccc(C(=O)[C@@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)cc1C 7252024 KYCMZKWVASPFQN-CYBMUJFWSA-N 416.344 5.215 0 40 HKAB O=C(NCCc1ccccc1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl 7573125 KKOYOOUHBLRLQJ-NRFANRHFSA-N 414.336 5.152 0 40 HKAB CCOc1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1 7604410 XYGGKCIKZALVPH-UHFFFAOYSA-N 418.880 5.480 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2ccccc2[C@@H](C)CC)cc1OC 7988337 OGFPFXBOMBUYID-AWEZNQCLSA-N 420.347 6.012 0 40 HKAB CCN(CC)c1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CCC3 8645120 HLQKTMKXAXSBPE-UHFFFAOYSA-N 400.617 5.495 0 40 HKAB Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(F)cc2)c1 8664950 UZIZZKLSGUEQKD-JOCHJYFZSA-N 414.436 5.002 0 40 HKAB Nc1c(C(=O)NCCc2c[nH]c3ccccc23)sc2nc(-c3cccs3)ccc12 8748688 FSHYBEPHSVJPNU-UHFFFAOYSA-N 418.547 5.061 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CN1c1ccccc1F 8758332 KDVXSDCBQIKYHH-KRWDZBQOSA-N 419.887 5.398 0 40 HKAB CCN1C(=O)c2cc(NC(=O)Cc3ccc(Cl)cc3)ccc2Oc2ccccc21 9134575 FQWGZNRNCCHBFQ-UHFFFAOYSA-N 406.869 5.294 0 40 HKAB COc1ccc(-c2csc(N3N=C(C)C[C@@H]3c3ccc(OC)c(OC)c3)n2)cc1 9419853 QDOABTCJUIARSQ-LJQANCHMSA-N 409.511 5.163 0 40 HKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)/C=C/c2ccccc2)cc1C 9518409 XFRABAOIAWQMSG-FYWRMAATSA-N 410.473 5.954 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)c1cccc(NS(=O)(=O)c2ccccc2)c1 10334631 YAOFDTIZWLRFEV-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB COc1ccccc1OCC(=O)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 10423309 KKHVIIXIZNYVDK-UHFFFAOYSA-N 423.419 5.125 0 40 HKAB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)Nc1ccccc1F 11009079 KCKNDUANKNDFRM-UHFFFAOYSA-N 400.457 5.059 0 40 HKAB COc1cc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c(OC)cc1Cl 11035182 QFUXCUFMALPIJO-UHFFFAOYSA-N 420.745 5.536 0 40 HKAB CCCOc1cc(Nc2ccc(NC(=O)Nc3ccccc3OCC)cc2)nc(C)n1 12225900 XEBNSHDJYDXNOL-UHFFFAOYSA-N 421.501 5.360 0 40 HKAB O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 12538579 ZICMFEPJMUYEQH-UHFFFAOYSA-N 419.484 5.914 0 40 HKAB Cc1ccc(C)c(-n2ccnc2S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)c1 12544384 QQBJBECTLBDRBQ-CYBMUJFWSA-N 421.353 5.310 0 40 HKAB COc1ccc(NC(=O)c2ccc(COc3ccc(F)c4c3C(=O)C[C@H]4C)cc2)cc1 13015431 ILZBQTDKZDVRFK-OAHLLOKOSA-N 419.452 5.356 0 40 HKAB CCOc1c(Br)cc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 14426979 RZZQBUPGVRYQPL-UHFFFAOYSA-N 419.102 5.416 0 40 HKAB CC(C)=CCc1cc2c(=O)c(Oc3ccc(O)cc3O)coc2c(CC=C(C)C)c1O 15204418 JHEJXUTWJYYRFP-UHFFFAOYSA-N 422.477 5.720 0 40 HKAB biogenic,in-vitro O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)c1cc2ccccc2oc1=O 16525592 MYTAKUWGBAYKPN-UHFFFAOYSA-N 413.907 5.545 0 40 HKAB CCOc1ccc(-c2cc(OCC)c3c(C)oc(C)c3/c(=N/c3ccccc3)c2)cc1 16667279 DCKGBGDDYIRGKV-ZZIIXHQDSA-N 413.517 6.746 0 40 HKAB CCOC(=O)/C(=C\c1ccc(OCc2ccccc2)cc1)P(=O)(OCC)OCC 16951452 PINJHIYMAJUHJH-LTGZKZEYSA-N 418.426 5.436 0 40 HKAB O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(NC(=O)c2cccs2)c1 18114055 QGTHXLKVOUKBEP-UHFFFAOYSA-N 405.504 5.376 0 40 HKAB CCc1ccc(-n2nc3ccc(NC(=O)c4cccc(O[C@@H](C)CC)c4)cc3n2)cc1 20610183 NOQFCPRNXZJBHC-KRWDZBQOSA-N 414.509 5.413 0 40 HKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3n2)cc1 20610464 LZSRMVDQOMQTFJ-UHFFFAOYSA-N 412.537 6.094 0 40 HKAB CC(=O)N(c1ccccc1)c1nc(CSc2nnc(Cc3ccccc3)o2)cs1 21332140 NVVOECQXUHQMIT-UHFFFAOYSA-N 422.535 5.094 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2ccncc2)no1 22463449 JZKJBCRUKWDFKR-UHFFFAOYSA-N 422.897 5.183 0 40 HKAB COCCn1c(S[C@H](C)C(=O)c2ccc(C(C)(C)C)cc2)nnc1-c1ccccc1 24168838 BCJQDFKCHLLMCL-QGZVFWFLSA-N 423.582 5.253 0 40 HKAB COc1cccc([C@@H]2CC(O)=Nc3sc(C(=O)Nc4ccccc4F)c(C)c32)c1 32073987 SBGKBMRISDDQSX-HNNXBMFYSA-N 410.470 5.580 0 40 HKAB Cc1ccc(-c2ccsc2C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1 32810751 PFBXOGCHMKQGBR-UHFFFAOYSA-N 401.535 5.241 0 40 HKAB Cc1nc(Sc2nnc(-c3cccnc3)n2C)c2c(-c3cccs3)csc2n1 32856107 BTYXWYTZQJAXRS-UHFFFAOYSA-N 422.564 5.070 0 40 HKAB Brc1ccc(Oc2ccccc2Br)c(Br)c1 34263475 VYBFILXLBMWOLI-UHFFFAOYSA-N 406.899 5.766 0 40 HKAB biogenic Cc1ccc2cc(CN(Cc3cccnc3)C(=O)c3ccco3)c(Cl)nc2c1C 35312123 TUEDDYMPYHKECT-UHFFFAOYSA-N 405.885 5.336 0 40 HKAB O=C(Nc1ccccc1Cc1ccccc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 40098877 GEKHIBFUDQCRDA-OAQYLSRUSA-N 410.521 5.565 0 40 HKAB COc1ccc(S[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OC 44902715 UCFIANDHXROBTR-SECBINFHSA-N 420.745 5.783 0 40 HKAB O=C(NCCCc1nc(-c2ccncc2)cs1)c1ccc(Oc2ccccc2)cc1 60376860 ZCZAYOPHYFUPQS-UHFFFAOYSA-N 415.518 5.360 0 40 HKAB Cc1ccc(NC(=O)C2CCC(Cn3c(=S)[nH]c4ccccc4c3=O)CC2)cc1C 71328574 DMSFVGWDTJVTQE-UHFFFAOYSA-N 421.566 5.121 0 40 HKAB CN(c1ccccc1)C1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1 71818913 CJDZAVFHGINMMY-UHFFFAOYSA-N 406.501 5.146 0 40 HKAB Clc1cccc(C2(c3nnc(Cc4cccc5ccccc45)o3)CCOCC2)c1 71889894 WEVJXWSWMKIBAT-UHFFFAOYSA-N 404.897 5.564 0 40 HKAB C[C@H]1CCC[C@@H](C)N1C(=O)CNc1ccccc1Oc1ncc(Cl)cc1Cl 71983198 ONHBXOGOLWGJME-OKILXGFUSA-N 408.329 5.382 0 40 HKAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72214746 IZHJAWHIQVKKJY-HXUWFJFHSA-N 409.530 5.210 0 40 HKAB CCn1c(CN2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)nc2ccccc21 72375339 NFUUEMUESCROIG-OAQYLSRUSA-N 412.541 5.235 0 40 HKAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2Cc2ccc(C)cc2OC)n1 72390646 LPIAXFBGEOJSHP-HSZRJFAPSA-N 416.569 5.535 0 40 HKAB O=C(Nc1ccc(F)cc1F)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 113958285 WLXBHTFUTJXDNM-UHFFFAOYSA-N 420.503 5.672 0 40 HKAB CC1(C)C[C@@H](NC(=O)CSCc2ccc(Cl)cc2Cl)c2ccccc2O1 222725500 VJOSQISOOBZZJG-QGZVFWFLSA-N 410.366 5.645 0 40 HKAB CC[C@@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccc2c(c1)CCCC2 223023974 IYTZUQYXNQTYND-OAQYLSRUSA-N 405.966 5.859 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1 224195929 KXYYIEHMXZGZRZ-PKTZIBPZSA-N 402.567 5.320 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)c1 224296490 ZOTQPMZEVKRSSZ-YADHBBJMSA-N 404.583 5.432 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccc(C)cc1 224467043 UJCUHEDMHNQWPO-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB O=C(Nc1ccc(OCCCN2CCCC2)cc1)C1(c2ccccc2)CCCCC1 225534547 VKAMNJAYUFUGKN-UHFFFAOYSA-N 406.570 5.392 0 40 HKAB CCOc1ccc([C@H]2CN(Cc3ccccc3)CC[C@H]2NCc2ccccc2)cc1 245227432 MENHDFSNXLOASS-KAYWLYCHSA-N 400.566 5.233 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3C)n2)cc1 408694738 MEPAGCYEEKNJEX-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 408832888 SCBUMECGLHQXJV-UHFFFAOYSA-N 420.921 6.391 0 40 HKAB CC(C)c1ccc(C(=O)CCC(=O)Nc2ccc(I)cc2)cc1 408834723 WYMKNXQONCTISS-UHFFFAOYSA-N 421.278 5.016 0 40 HKAB O=C1N/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1C1CCCCC1 409077429 DRTQUWKTMJMYMG-STZFKDTASA-N 410.901 5.144 0 40 HKAB C[C@H]1CCCCN1S(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1 606422396 WUFRRTRSJFUHRU-HNNXBMFYSA-N 416.930 5.225 0 40 HKAB CC(=O)N1CCCCCCCCN(C(=O)Cc2ccccc2C)Cc2ccccc21 643553202 BVIDUGXFHNGAIT-UHFFFAOYSA-N 406.570 5.273 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4cccc(C)c4C)sc3n2)c1 661304 MDUUUIXUSJIASX-UHFFFAOYSA-N 403.507 5.423 0 40 HKAB C[C@@H](Sc1nnc(C2CCCCC2)n1-c1ccccc1)C(=O)Nc1ccccc1 869882 QFQJDDFXBQIEFJ-QGZVFWFLSA-N 406.555 5.434 0 40 HKAB CCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccccc2F)C[C@@H]1C 898890 IUOFMGKXWZXZMF-UUOWRZLLSA-N 416.496 5.749 0 40 HKAB CCOc1ccc(NC(=O)c2ccccc2OCC(=O)c2ccc(C)c(C)c2)cc1 993175 MBFUNZJTRUPJIM-UHFFFAOYSA-N 403.478 5.216 0 40 HKAB O=C(NCCc1ccccc1)c1cccnc1Nc1ccc(OCc2ccccc2)cc1 1340589 ACWZYTFKCOLACX-UHFFFAOYSA-N 423.516 5.377 0 40 HKAB O=C(Oc1ccc2ccccc2c1Br)N(c1ccccc1)c1ccccc1 1792716 DYDLMNOGGXAPSS-UHFFFAOYSA-N 418.290 6.939 0 40 HKAB O=C(Oc1ccc(-c2ccccc2)cc1)c1ccccc1I 1858084 TWRBDRYWJBHASP-UHFFFAOYSA-N 400.215 5.177 0 40 HKAB O=C1C2=C(C(=O)N1c1ccc(Cl)cc1)[C@@H](c1ccccc1)Nc1ccccc1S2 2212592 JGKZQEXGIUCFMK-HXUWFJFHSA-N 418.905 5.426 0 40 HKAB CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1)N(c1ccc(Cl)cc1)C(=O)C2 2220505 WHZDSFYUZCXLKY-RUZDIDTESA-N 421.924 5.816 0 40 HKAB Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2ccccn2)c2ccccc2)c1C 2709613 GFNFWIFDCQRLCA-OAQYLSRUSA-N 403.507 5.807 0 40 HKAB COc1ccc(-c2nc3ccccc3c(C(=O)NC3CCCCCCC3)c2C)cc1 2734307 ZDFJBHIGMHNCLK-UHFFFAOYSA-N 402.538 6.062 0 40 HKAB O=C(OCc1c(Cl)cccc1Cl)c1ccc(COc2ccc3c(c2)OCO3)o1 2777949 MFDHCBHOBOKZHH-UHFFFAOYSA-N 421.232 5.251 0 40 HKAB Cc1cccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)c1 2887570 OJEIZMNOYVGRMX-UHFFFAOYSA-N 406.338 5.400 0 40 HKAB CN1C(=O)N(c2cccc3ccccc23)[C@H](NC(=O)Nc2ccc(Cl)cc2)C1(C)C 3063031 APSDBBFAYYDHOZ-FQEVSTJZSA-N 422.916 5.291 0 40 HKAB Fc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(-c5ccccc5)cc4)=NN32)cc1 4419867 VAHAKZWTXMJSCY-XTEPFMGCSA-N 420.487 6.735 0 40 HKAB CCOc1cccc(C(=O)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)c1 4703866 KWRCUVAIGCJROJ-UHFFFAOYSA-N 400.478 6.269 0 40 HKAB CSc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCCO3)cc1 4733669 LACDNOLTCAAUQK-UHFFFAOYSA-N 403.507 5.546 0 40 HKAB Cc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2ccco2)c(C)c1 4920546 GUSFZQKDTBWKKQ-UHFFFAOYSA-N 417.578 6.128 0 40 HKAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 4984285 SPOOLWGWRSECEE-GOSISDBHSA-N 414.534 5.060 0 40 HKAB COc1ccccc1Cn1c(-c2ccc(Cl)cc2)nc2nc3ccccc3nc21 5055133 RAYLOSUQEJJFCV-UHFFFAOYSA-N 400.869 5.357 0 40 HKAB CC[C@@H](C)CCCOC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O 5598984 CFMPKQVSCLXKNN-SSDOTTSWSA-N 402.101 5.982 0 40 HKAB Cc1ccc(NC(=O)Cc2nc(CSc3nc4ccccc4s3)cs2)cc1 5629352 MDLWSHWWYSBQTG-UHFFFAOYSA-N 411.577 5.535 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 6023989 MURFRLZJXRSCKS-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB O=C(/C=C/c1ccccc1)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl 6343931 HMNPLMPELNECCQ-IZZDOVSWSA-N 409.272 6.454 0 40 HKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CNC1CCCCCCC1 6497646 YAWUYKRAXUQQRO-UHFFFAOYSA-N 414.571 5.233 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 6653046 OPDMDJVWOKBUQY-CYBMUJFWSA-N 414.292 5.132 0 40 HKAB Cc1ccc(CSC2=NCCN2C(=O)C2c3ccccc3Oc3ccccc32)cc1 7346381 ZMBVCGNANHMFQJ-UHFFFAOYSA-N 414.530 5.364 0 40 HKAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCc1ccc(-c2ccccc2)o1 7824554 YJBULMYSFQDFCJ-UHFFFAOYSA-N 413.521 5.057 0 40 HKAB CSc1ccc(Cl)c(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 8105326 JBRBUGAKXNEDGQ-ZDUSSCGKSA-N 402.972 5.691 0 40 HKAB COc1ccc2c(CC(=O)Nc3ccccc3SCc3ccsc3)coc2c1 8184716 IAPOBIGQNSRTHN-UHFFFAOYSA-N 409.532 5.976 0 40 HKAB Cc1ccc(NC(=O)Cc2nc(-c3cc(C)n(Cc4ccco4)c3C)cs2)c(C)c1 8271723 ZTPRNTMHHWAXCY-UHFFFAOYSA-N 419.550 5.668 0 40 HKAB O=C1S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1c1ccccc1 9260838 JIFWMHSQZZDNIB-SFQUDFHCSA-N 419.487 5.548 0 40 HKAB c1ccc2sc(-c3csc(Nc4nc5cc6c(cc5s4)OCO6)n3)nc2c1 9381975 CTTQXGHAZSYPEL-UHFFFAOYSA-N 410.505 5.502 0 40 HKAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Cl)cc1Cl 12023861 XIEMRWZNHASONN-UHFFFAOYSA-N 422.315 5.776 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 12438340 NUZYBGYRLCAZCB-LZNRXBQRSA-N 421.537 5.220 0 40 HKAB Cc1cc(NC(=O)CSCc2ccccc2)n(-c2nc(-c3ccccc3)cs2)n1 12441747 BPNFLMWIIUBOIG-UHFFFAOYSA-N 420.563 5.176 0 40 HKAB COc1ccc(C(=O)C2CCN([C@@H](C)c3nc4ccccc4n3C(F)F)CC2)cc1 12548090 OCVWWAIQWUGJDS-HNNXBMFYSA-N 413.468 5.096 0 40 HKAB COc1cc(/C=C/C(=O)N(C)Cc2ccc(SC)cc2)cc(Cl)c1OC(C)C 13073842 VTRNKNSKZYXQTI-DHZHZOJOSA-N 419.974 5.530 0 40 HKAB O=C(Nc1ccc(I)cc1)C1[C@H]2CCC[C@@H]1C2c1ccccc1 13590659 OTSKROMRNIVCFM-LPOKXYRGSA-N 417.290 5.060 0 40 HKAB COCc1c(C(=O)NCCc2ccc(C(F)(F)F)cc2)sc2cccc(F)c12 14120248 PHBRHIFPBJCYJB-UHFFFAOYSA-N 411.420 5.178 0 40 HKAB CC(C)c1ccccc1NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 14909753 YXIMHIANGWBLHY-KDURUIRLSA-N 408.542 5.231 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3ccc(C)o3)N3CCCC3)sc2c1 15860457 ZSPQHKMRAFFGLZ-MRXNPFEDSA-N 402.947 5.331 0 40 HKAB Cc1noc(C)c1COc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)cc1 16097490 WKGXBHVQBJZXSQ-UHFFFAOYSA-N 422.506 5.368 0 40 HKAB Cc1ccccc1C(=O)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 17089488 MOQZKEPPHNTJFB-UHFFFAOYSA-N 413.329 6.831 0 40 HKAB COc1ccc(-c2csc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)n2)cc1 17093472 JDTSRMSYVJMTTK-LLVKDONJSA-N 423.321 5.532 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(C(F)(F)F)cc1Cl 17094112 YLUNZYSBCHGIEZ-GORDUTHDSA-N 424.633 6.326 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1Cl 20036294 LBYXGWADBXLDGA-NRFANRHFSA-N 411.885 5.466 0 40 HKAB O=C(Nc1ccccc1Cl)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20107567 VNVVIJZKKCMCPM-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB O=C(CCc1c[nH]c2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20426436 JYVCENWZKUDKCM-UHFFFAOYSA-N 423.560 5.034 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1Cl 21578542 GIWGITXPXFDHDM-UHFFFAOYSA-N 420.896 6.334 0 40 HKAB Cc1nc(-c2ccc(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)cc2)co1 23182850 XLNGIFNEKRJJNK-UHFFFAOYSA-N 417.465 5.015 0 40 HKAB Clc1ccc(-c2nnc(CN3CCC[C@H](c4nc5ccccc5s4)C3)o2)cc1 24602062 MBDZDBMEZIAJCD-HNNXBMFYSA-N 410.930 5.379 0 40 HKAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccccc3-c3cccs3)C2)cc1 24915622 YMRAQMWAFUVORC-IBGZPJMESA-N 404.535 5.214 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)c(Cl)c1 38752768 WIBCPIPJKVLZBM-NRFANRHFSA-N 411.885 5.466 0 40 HKAB Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N1CCc2ccccc21 40114665 SWZKALNYIXZBKS-UHFFFAOYSA-N 414.889 5.304 0 40 HKAB CCOc1ccc(-c2csc3c(=O)n(Cc4ccccc4F)cnc23)cc1OCC 44167058 ZOZBDOXCGDEGEC-UHFFFAOYSA-N 424.497 5.110 0 40 HKAB CSc1cccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 44786573 GWKWBEBJHBGVKB-UHFFFAOYSA-N 419.388 5.022 0 40 HKAB CCCCSc1nnc(CCCCCN2C(=O)c3cccc4cccc(c34)C2=O)o1 51353966 BBPPEBSNJJZQFE-UHFFFAOYSA-N 423.538 5.124 0 40 HKAB Cc1cc2nc(-c3ccc(NC(=O)c4ccc5nsnc5c4)cc3)oc2cc1C 57315931 OEQHMKNNPUBAHL-UHFFFAOYSA-N 400.463 5.369 0 40 HKAB CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccccc1C(=O)c1ccccc1 58174571 JFSFZGUABGQWRM-UHFFFAOYSA-N 424.500 5.277 0 40 HKAB COc1ccc(N(C(=O)c2sc(Cc3ccc(F)cc3)nc2C)C(C)C)cc1F 58296273 YHCIGWMCZIATQF-UHFFFAOYSA-N 416.493 5.384 0 40 HKAB C=CC(=O)NCc1ccc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1 59936051 YKVWOQIPFYBGQG-UHFFFAOYSA-N 419.550 5.162 0 40 HKAB COc1cc(-c2ccccc2)sc1C(=O)Nc1cccc(-c2ccnc(C)n2)c1 65538852 QQHCNEWJCXPPFH-UHFFFAOYSA-N 401.491 5.441 0 40 HKAB CCc1c(C(=O)COc2ccc3c(c2)OC2(CCCCC2)CC3=O)[nH]c(C)c1C(C)=O 72057492 NUKKVWIKCTWQLJ-UHFFFAOYSA-N 423.509 5.018 0 40 HKAB O=C(C1CCCC1)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72358014 ZXVFVCQQTJFKNU-NRFANRHFSA-N 402.460 5.545 0 40 HKAB O=C(CCc1ccccc1)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 72359465 FVILOFZOGAQLLI-UHFFFAOYSA-N 405.929 5.136 0 40 HKAB Cc1c(CN2CCC[C@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)cnn1C 72374142 AQJLNIXVZNMDIP-QFIPXVFZSA-N 414.475 5.070 0 40 HKAB C[C@](O)(CNC(=O)Nc1ccccc1C(F)(F)F)c1ccc(-c2ccccc2)cc1 77184439 TZBFKYCYFBLXJW-QFIPXVFZSA-N 414.427 5.402 0 40 HKAB Cc1cc(Nc2ccccc2C(=O)O)c2c(Cl)ccc(Oc3ccccc3)c2n1 78401765 PBNGEDBDBCAMMM-UHFFFAOYSA-N 404.853 6.431 0 40 HKAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCc5cccs5)cc34)co2)cc1 96154309 RBRICNJWESJBEX-UHFFFAOYSA-N 415.474 5.450 0 40 HKAB Cc1ccc([C@H]2CC3=Nc4nc5ccccc5n4[C@H](c4cccs4)C3=C(O)C2)cc1 102668965 BSEPXSIDYYHJIY-BXKMTCNYSA-N 411.530 6.471 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2SCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 104747066 JURISSRRETWINP-GHDARCQNSA-N 422.594 5.280 0 40 HKAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](C5(C)OCCO5)CC[C@]4(C)[C@H]3CC[C@@]21C 118914914 GFXBFUNNPOLAPC-KIHUSNISSA-N 404.591 5.340 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 118933478 NWQBDOPDVUJEGJ-REEKKXHDSA-N 404.679 6.439 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1cccc2ccccc12 219046705 IPYTXSTVEOFXLG-HRAATJIYSA-N 405.494 5.034 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccccc1SCc1ccccc1 224093290 HXAQYMFFMXJBOY-UHFFFAOYSA-N 409.510 7.131 0 40 HKAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(CSc3ccccc3)c2)cc1 224327609 DAOWHACAHSTKLZ-UHFFFAOYSA-N 407.491 5.026 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccccc1C(C)C 224563901 ASMGPVDDEDXRLW-UHFFFAOYSA-N 403.522 6.348 0 40 HKAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224962092 MHLFBCMLCUUMKE-UHFFFAOYSA-N 418.836 5.643 0 40 HKAB COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1F 225391332 AGWIXDHYBWUVPT-UHFFFAOYSA-N 420.484 5.636 0 40 HKAB COc1cccc(NC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 225761888 AKGQRUWCLSAFKQ-UHFFFAOYSA-N 417.509 5.889 0 40 HKAB S=C(Nc1ccc2c(c1)OCO2)NC1(CCc2ccc(Cl)cc2)CCCC1 225852342 LXQKJOPDCLIZJF-UHFFFAOYSA-N 402.947 5.301 0 40 HKAB Cc1cc(C)c(NC(=O)c2ccc(-c3ccc(Cl)cc3Br)o2)c(N)c1 226349225 KOFZDWNKLRLKFR-UHFFFAOYSA-N 419.706 5.814 0 40 HKAB Cc1cccc2[nH]c(C(=O)N3CCCC[C@H]3c3ncc(Cc4ccc(F)cc4)o3)cc12 257211436 BYWAOTUIZBLXIX-QHCPKHFHSA-N 417.484 5.562 0 40 HKAB CC(C)n1nccc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257246224 ITDHIIYRCMAUIA-LJQANCHMSA-N 412.921 5.064 0 40 HKAB CCCCn1nc(-c2cc(C(=O)O)ccc2OCCC)cc1-c1ccccc1OC 257251326 JQHWXOQYQPOSTO-UHFFFAOYSA-N 408.498 5.513 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 408628607 VHRJSJHDMNXCFG-UHFFFAOYSA-N 403.913 6.433 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2cccc(Cl)c2C)cc1 408694628 LAXMQZMLSRQTHW-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccccc2F)nc1-c1ccccc1 408699366 TVLUPGSGPXGVOG-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 408706247 YMUAFLAUDGVHPB-IBGZPJMESA-N 419.590 6.682 0 40 HKAB Cc1ccc(N(C)C(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1C 408979772 SDVMTYIJNIUNPV-UHFFFAOYSA-N 423.472 6.043 0 40 HKAB COc1cc(OC)c(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1Br 409109883 NFIUUHWTAJSGBT-SXGWCWSVSA-N 416.315 5.010 0 40 HKAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)C1c2ccccc2Oc2ccccc21 1775966946 UVCRJVYYEFENKZ-QGZVFWFLSA-N 417.486 5.096 0 40 HKAB CC[C@@H](C)OC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 957135 FKSWYWNYTCUEEX-SJORKVTESA-N 410.466 5.311 0 40 HKAB COc1cc(C(=O)Nc2cccnc2)ccc1OCc1c(Cl)cccc1Cl 1070547 ZIDLYENKIGUDJF-UHFFFAOYSA-N 403.265 5.228 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)NCc1ccc2[nH]c3c(c2c1)CCCC3 1422660 WZZOVVRYKDLGEE-UHFFFAOYSA-N 408.545 5.885 0 40 HKAB CCCCCCOc1ccc(/C=C/C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 1747971 JMPRYYKXBDKFMW-ACCUITESSA-N 421.459 6.325 0 40 HKAB O=C(/C=C/c1ccccc1)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 1821229 SUQQADGKKZXUFW-NTCAYCPXSA-N 424.887 6.953 0 40 HKAB CSc1nnc2c(n1)O[C@@H](c1ccc(OC3CCCC3)cc1)Nc1ccccc1-2 2095166 GCNASCQLHUHYGM-FQEVSTJZSA-N 406.511 5.085 0 40 HKAB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(Oc2ccccc2)cc1 2131847 VCCCWDJARWSRMO-UHFFFAOYSA-N 416.304 6.583 0 40 HKAB COc1ccc(-c2nc(-c3ccc(OC)c(OC)c3OC)[nH]c2-c2ccccc2)cc1 2310280 ZIRJYOHFMAKBJX-UHFFFAOYSA-N 416.477 5.445 0 40 HKAB CCc1ccc(-c2cc(C(=O)O[C@@H](CC)C(=O)c3ccccc3)c3ccccc3n2)cc1 2317976 ORGBFCZUGBGVTE-SANMLTNESA-N 423.512 6.283 0 40 HKAB COc1ccccc1C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 2406869 IYDCTFSDLTUDKX-UHFFFAOYSA-N 406.821 5.341 0 40 HKAB biogenic CCOc1ccccc1Oc1c(C)oc2cc(OCc3ccccc3F)ccc2c1=O 2411500 DPLCGEYYRONWDM-UHFFFAOYSA-N 420.436 6.011 0 40 HKAB biogenic C[C@@H]1C[C@H](N[C@H](c2ccco2)P(=O)(c2ccccc2)c2ccccc2)CC(C)(C)C1 2577838 RTTSRQHDBYZLNL-CZSZKKDXSA-N 421.521 6.097 0 40 HKAB O=C1c2cccc(OCc3ccccc3)c2CCN1Cc1ccc(Br)cc1 2716195 IRJDROGHUIYGSC-UHFFFAOYSA-N 422.322 5.227 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cc(Cl)c(=O)n(Cc2cccc(Cl)c2)c1 3041784 FTJIDZCXTLLSPL-UHFFFAOYSA-N 407.684 5.109 0 40 HKAB Cc1ccc(NC(=S)NN(C)C(=S)Nc2ccc(C)c(Cl)c2)cc1Cl 3265257 NDVPVKRBGRYNBE-UHFFFAOYSA-N 413.399 5.140 0 40 HKAB CC(=O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 3846396 CEWZSUATUWEZOK-QGUKFAFCSA-N 420.593 6.051 0 40 HKAB biogenic O=C1O[C@]2(C[C@@H](c3ccccc3)[C@H]3CCCC[C@@]34Nc3ccccc3N42)c2ccccc21 3999083 JQKXIOGQANFJIF-ICLSSZMYSA-N 422.528 6.016 0 40 HKAB biogenic COc1ccc(-c2cnn3c4c(c(C)nc23)CCN4C2CCCCCCC2)cc1OC 4050922 SSQSOHHLWHOEQV-UHFFFAOYSA-N 420.557 5.197 0 40 HKAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccccc2-c2ccccc2)cc1 4593167 BCIMCGGUVWTANB-VHQMJQKASA-N 407.469 5.457 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 4644936 YTGHGJCDXOKGEV-UHFFFAOYSA-N 407.897 6.002 0 40 HKAB Cc1nn2c(c1-c1ccccc1)N=C(c1ccc3ccccc3c1)C[C@@H]2c1ccccc1 4777024 XOOWYWCIEPSYFI-HHHXNRCGSA-N 413.524 7.126 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccccc2[C@@H](c2ccccc2)c2ccc(C)o2)cc1 4808947 SIRMIMUOBOIFAJ-RUZDIDTESA-N 417.530 5.877 0 40 HKAB Cc1sc2nc(C(C)C)n3c(SCC(=O)c4ccc(F)cc4)nnc3c2c1C 4848143 PRNFGEYWNQBVCI-UHFFFAOYSA-N 414.531 5.193 0 40 HKAB CNC(=O)c1c(NC(=O)c2ccccc2Oc2ccccc2)sc2c1CCCC2 5055491 GVGOFWGXBZVZSM-UHFFFAOYSA-N 406.507 5.031 0 40 HKAB Cc1cc(OCC(=O)NC(c2ccccc2)c2ccccc2)ccc1Br 5724911 HOJQCJAHOODMSN-UHFFFAOYSA-N 410.311 5.042 0 40 HKAB Cc1ccc2c(c1)[C@H](c1ccccc1)C[C@H](C)N2S(=O)(=O)c1cccc(Cl)c1 6034397 BCGJJEZJPSFDFT-UWJYYQICSA-N 411.954 5.768 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)cc4)c3)nc2c1 6440218 KEEKAGRTKOTZGT-OAHLLOKOSA-N 404.897 6.914 0 40 HKAB Cc1c(C)c(OC(=O)c2ccc(Cl)cc2)c(Cc2nc3ccccc3[nH]2)c(C)c1O 6566956 WNXQOIRPUONFTI-UHFFFAOYSA-N 420.896 5.657 0 40 HKAB CCOc1ccc2c(c1)C(c1ccc(OC)cc1)=NNC(c1ccc(Cl)cc1)=N2 6601953 KWGFZHSHQXHGML-UHFFFAOYSA-N 405.885 5.181 0 40 HKAB C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)c1nnc(-c2ccccc2)o1 7830914 SFOZJWWWLPAFPI-OAHLLOKOSA-N 418.522 5.415 0 40 HKAB O=C1S/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1c1ccccc1 8872072 XGJHAQMLCXAPEE-WOJGMQOQSA-N 416.285 6.494 0 40 HKAB CC(C)c1nc2sc3c(=O)n(Cc4ccc(Cl)cc4)cnc3c2c2c1CCC2 8993148 IAXJXUANYDTPJP-UHFFFAOYSA-N 409.942 5.320 0 40 HKAB COC(=O)c1ccc(Oc2coc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1 9041561 QNPNIQPHZQUTHY-UHFFFAOYSA-N 420.392 5.090 0 40 HKAB biogenic O=C(c1ccc(-c2ccccc2F)o1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9451382 UBSZJPSHNYSIEL-IBGZPJMESA-N 407.441 5.224 0 40 HKAB Cc1nn(CC(C)C)c(Cl)c1C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 9503500 HRPLASUUYMMJKT-UHFFFAOYSA-N 406.313 5.344 0 40 HKAB Cc1ccccc1OCC(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 10128939 JTPRKQFTEXWABA-UHFFFAOYSA-N 419.864 5.439 0 40 HKAB CCCc1n[nH]c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)n1 11467401 FNEJDNYLUKIRLR-UHFFFAOYSA-N 416.959 5.332 0 40 HKAB COc1ccc(/C=C/CN2CCC(C(=O)Nc3cccc(-c4ccco4)c3)CC2)cc1 11753929 HROBWAXQFIHOLX-HWKANZROSA-N 416.521 5.319 0 40 HKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H](c2ccc(Cl)cc2)N1 12500522 MCQWJTZGHRPYDH-NRFANRHFSA-N 417.921 5.872 0 40 HKAB CCOc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)o1 12765075 OLTUAMKVXGEZRT-ZDUSSCGKSA-N 417.918 5.216 0 40 HKAB CC(=O)c1cccc(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)c1 12999419 CVXKTHZWVMUIGW-UHFFFAOYSA-N 409.283 5.274 0 40 HKAB Clc1ccccc1N1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 13097199 VFXMFJWHVSEKEM-UHFFFAOYSA-N 400.913 5.277 0 40 HKAB Clc1ccc(-c2c[n+](Cc3ccc(Br)cc3)c3n2CCCCC3)cc1 13512078 VGTLRNPQZKPXHY-UHFFFAOYSA-N 416.770 5.633 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 13688333 FOBFALYFQJUCMO-UHFFFAOYSA-N 418.968 5.396 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)c1 13946087 ANYNISZRPHUTSW-UHFFFAOYSA-N 420.896 6.498 0 40 HKAB COc1cccc(-c2nn(Cc3ccccc3)c(-c3cccc(OC)c3)c2Cl)c1 13960479 ZFHFICUMRFXBDQ-UHFFFAOYSA-N 404.897 5.936 0 40 HKAB O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cc(F)c(F)cc1Cl 14118984 KGPFJSBFCHYASL-UHFFFAOYSA-N 414.555 5.652 0 40 HKAB Cc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3ccc(C)c(C)c3)c2C)cc1C 17090180 KKVARCOJAANCQR-UHFFFAOYSA-N 414.980 7.461 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1c(F)c(F)c(F)c(F)c1F 17092890 GWMFCRLRIQWGOB-UHFFFAOYSA-N 422.284 5.582 0 40 HKAB Cc1ccc(-c2csc(=S)n2CC(=O)NCCc2c[nH]c3ccccc23)cc1 17296346 CTSLMZCSCUGWCF-UHFFFAOYSA-N 407.564 5.095 0 40 HKAB Cc1cc(C)cc(C2(C(=O)N[C@@H](C)c3nc4ccccc4n3C(C)C)CCOCC2)c1 19662008 FJAVEGOHLWMPDH-FQEVSTJZSA-N 419.569 5.160 0 40 HKAB c1ccc(OCCOc2cccc(CNc3ccccc3OC[C@@H]3CCCO3)c2)cc1 19737596 JHPSZLKUCNNAPH-DEOSSOPVSA-N 419.521 5.314 0 40 HKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 20110892 ULMGALLBAXCSKA-KSUQMOORSA-N 403.566 6.259 0 40 HKAB O=C(Nc1nc2ccc(NC(=O)c3cc4ccccc4o3)cc2s1)c1ccco1 20411035 GOMSYLUFXMGPCN-UHFFFAOYSA-N 403.419 5.140 0 40 HKAB CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc2c(c1)CC(C)(C)O2 25767152 PIHCAFQCRQZTCD-UHFFFAOYSA-N 419.565 5.373 0 40 HKAB O=C(Nc1cc(-c2nc3cnccc3o2)ccc1Cl)C1(c2ccccc2)CCCC1 32106243 PGBBDUSOPGKRNM-UHFFFAOYSA-N 417.896 5.994 0 40 HKAB S=C1NC2=C(CCC/C2=C/c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1 34720079 KVSPYRASURNEPV-LJQBUTKESA-N 401.362 6.034 0 40 HKAB COc1ccc(C2=NN3[C@H](c4ccc(F)c(F)c4)Oc4c(OC)cccc4[C@H]3C2)cc1 36352247 CQBOASORTGPFAK-QPPBQGQZSA-N 422.431 5.224 0 40 HKAB C[C@@H]1CCCN(Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)C1 57740296 DVXJUFRORUULMV-GOSISDBHSA-N 416.956 5.973 0 40 HKAB CN(C)c1ccc(-n2c(SCc3ccc(F)c(F)c3)nc3ccccc3c2=O)cc1 67259096 AJLCVPJHYXUXBC-UHFFFAOYSA-N 423.488 5.022 0 40 HKAB O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc(F)cc1F)N1CCCCC1 72328467 JMJYQJIDFXYTKT-UHFFFAOYSA-N 415.871 5.405 0 40 HKAB O=C(C1CCC1)N1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 72349342 DRWCATOVWFCLQX-SFHVURJKSA-N 402.460 5.197 0 40 HKAB Cc1ccc(NC(=O)NC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1NC(=O)NC[C@@H]1C[C@@H]2CC[C@@H]1C2 100934908 FCHPHCIYHHHYAK-SOXBMFEASA-N 424.589 5.110 0 40 HKAB CN(C)c1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccccc4)C3=C(O)C2)cc1 102928400 PTPIXMVCVKJRSH-NFQMXDRXSA-N 409.533 6.382 0 40 HKAB CC1(C)CC2=Nc3ccc(C(=O)c4ccccc4)cc3N[C@H](c3ccco3)C2=C(O)C1 102930464 IQRNIDLSUKZTDG-XMMPIXPASA-N 412.489 6.382 0 40 HKAB CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc1 104149862 NTBJPQCWKMTHEC-XMMPIXPASA-N 404.510 5.898 0 40 HKAB Cc1ccc(COc2ccc(Br)cc2CNc2ccc(F)cc2)cc1 106974984 LJGQYEFEAHTFEO-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1nnc(SCc2ccccc2)s1 223731606 LWNYWUXFKDUJEU-KRWDZBQOSA-N 413.568 5.243 0 40 HKAB Fc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224175629 DXWRNCLCMUYORQ-DHIUTWEWSA-N 414.509 5.189 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1cc(C)cc(C)c1C 224276085 RZTIOOMPSPBZBN-UHFFFAOYSA-N 403.522 6.069 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cccc(Br)c1 225677207 CORQYVNVMJPWPV-INIZCTEOSA-N 405.361 5.346 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1C(=O)OCC 225680051 KEOWFPZFWYPULU-UHFFFAOYSA-N 409.526 5.411 0 40 HKAB COc1cc(C(=S)NCc2cccc(C)c2)ccc1OCc1ccccc1Cl 408578844 ZQIQLDHFQOOAPE-UHFFFAOYSA-N 411.954 5.701 0 40 HKAB CC(C)=CCC[C@@]1(C)Oc2cc(-c3ccc(C(=O)O)cc3)ccc2[C@@H]2OCCC[C@H]21 585265574 KGAJMXNTSYGRMS-KTIWRFAQSA-N 406.522 6.417 0 40 HKAB O=C(CC1CCCC1)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643575268 AZOXIKIFECHAHO-UHFFFAOYSA-N 408.542 5.736 0 40 HKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=O)Nc3ccccc3Cl)C3CCCC3)cc12 1371604 QSOYEZRDSFVBND-UHFFFAOYSA-N 423.944 5.775 0 40 HKAB Cc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1 1380128 SLDIGEZSSQLEAU-HSZRJFAPSA-N 420.484 5.174 0 40 HKAB COc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 1472333 QRSVKJNYPQYCSJ-UHFFFAOYSA-N 410.520 5.081 0 40 HKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1ccccc1CC 1779171 NXJCXPQNSBKORJ-UHFFFAOYSA-N 409.507 5.172 0 40 HKAB COc1ccc(CN(CC[C@H](c2ccc(OC)cc2)C(C)C)C(=O)c2ccco2)cc1 1832904 YUCSSWJWNAQYBE-DEOSSOPVSA-N 421.537 5.769 0 40 HKAB CCCSc1nnc2c(n1)O[C@H](c1c(F)cccc1Cl)Nc1ccccc1-2 2084007 CXEJBZXGKKOTGI-QGZVFWFLSA-N 402.882 5.336 0 40 HKAB Cc1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1C 2255248 CQICYLUNKYIYAW-UHFFFAOYSA-N 406.533 6.550 0 40 HKAB O[C@@H](CN[C@H]1CCCc2ccccc21)COC(c1ccc(F)cc1)c1ccc(F)cc1 2654574 WMPTWWRNUHTWJI-ZCYQVOJMSA-N 423.503 5.099 0 40 HKAB Cc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 2714437 IESGOUBFVOAMEQ-UHFFFAOYSA-N 424.935 6.661 0 40 HKAB CCSc1nnc2c(n1)O[C@@H](/C(C)=C/c1ccc(C(C)C)cc1)Nc1ccccc1-2 2736302 XKJBMDXVEQDPDU-FDGLKFFFSA-N 418.566 6.008 0 40 HKAB O=[S@@](CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(F)cc1 3128414 NQLMFYOZGSVABW-AREMUKBSSA-N 409.309 5.176 0 40 HKAB CSc1cc(-c2ccccc2)n(-c2ccccc2)c(=S)c1C(=O)c1ccccc1 4127640 ABRSJGMXHCFSHN-UHFFFAOYSA-N 413.567 6.827 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2c(F)cccc2Cl)N3)C1 4554604 PUQUNKIYDIGFPG-VOJFVSQTSA-N 406.954 6.511 0 40 HKAB CCCCC1CCC(c2ccc(-c3ccc(C4CCC(CC)CC4)cc3)nc2)CC1 4645872 LLASRAYVLSZKGC-UHFFFAOYSA-N 403.654 8.896 0 40 HKAB CCOc1ccc(-c2nnc(N(CC(C)C)C(=O)c3ccccc3Cl)s2)cc1 4982616 SHIGMTTWTQKZAC-UHFFFAOYSA-N 415.946 5.560 0 40 HKAB CCCCOc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3[C@H](C)CCC)cc1 6072730 KHWKEPOCVIFWRU-KUHUBIRLSA-N 403.548 5.141 0 40 HKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccccc1Cl 6230756 ALGSBVJCIGGIRQ-UHFFFAOYSA-N 408.841 5.174 0 40 HKAB CCCSC1=N/C(=C/c2ccc(OC)cc2)C(=O)N1c1ccc(Cl)c(OC)c1 6274286 ANPAWMDHXLDAHC-LDADJPATSA-N 416.930 5.244 0 40 HKAB O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1cccc(F)c1 6372867 ZJWQHUMSMPHETJ-UHFFFAOYSA-N 402.347 5.349 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(C)cc4)c3)nc2c1 6449732 BXHQPFVUECYBSX-SFHVURJKSA-N 414.505 6.334 0 40 HKAB Cc1ccc(C)c(Cn2c(=O)n(-c3ccccc3)c(=O)c3sc4ccccc4c32)c1 6739251 JOVOMPRPUPDYKE-UHFFFAOYSA-N 412.514 5.032 0 40 HKAB Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)c2C)c1 6963439 MDSSKQRSYPPMMK-OVVQPSECSA-N 418.540 6.930 0 40 HKAB Cc1ccc(Cn2c([C@H]3CC(=O)N(c4cccc(Cl)c4)C3)nc3ccccc32)cc1 7542839 PHYSRPPFYLHGIO-IBGZPJMESA-N 415.924 5.567 0 40 HKAB COc1cccc(NC(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C2CCCCC2)c1 7781741 MSMHZQXEEHEVAE-UHFFFAOYSA-N 420.513 5.420 0 40 HKAB O=C(c1ccccc1)c1ccc(Oc2ccc(Cl)cc2N[C@H]2CCOC2=O)cc1 8130859 MBYTZHWPSLNGPF-IBGZPJMESA-N 407.853 5.091 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)c3ccccc3F)n2[C@H]2CCCC[C@@H]2C)c1 8343507 FPBLAXXYHNAJKA-UWJYYQICSA-N 423.557 6.119 0 40 HKAB COc1ccc(-c2c(-c3ccccc3)c3cc4c5c(oc4cc3oc2=O)CCCC5)cc1 8437603 UESZPVYEJXPYRI-UHFFFAOYSA-N 422.480 6.761 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CC(=O)N(c2ccccc2Cl)C1 8475508 ZKBHEUPKPYXBGL-AWEZNQCLSA-N 404.853 5.231 0 40 HKAB Cc1cc(O[C@H](C)C(=O)N(Cc2ccco2)Cc2cccs2)cc(C)c1Cl 9204403 POEFNWCNFHGCKM-MRXNPFEDSA-N 403.931 5.608 0 40 HKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1Br 9670684 SOJTWOIKJDBLRQ-UHFFFAOYSA-N 412.127 5.739 0 40 HKAB COc1ccc2sc(N(Cc3cccnc3)C(=O)Cc3cc(C)ccc3C)nc2c1 10064106 COBOBKXGVWSSNZ-UHFFFAOYSA-N 417.534 5.093 0 40 HKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120290 QXCGBAVTBUSKRY-UHFFFAOYSA-N 400.522 5.964 0 40 HKAB Clc1ccc2oc(-c3ccccc3)c/c(=N\c3nc(-c4ccccc4)cs3)c2c1 12374233 XKQFACJLQLOMNL-LHLOQNFPSA-N 414.917 7.109 0 40 HKAB Cc1ccc(-c2c(Br)s/c(=N/c3ccccc3)n2-c2ccccc2)cc1 12559539 UXDZCUQVXHLWLV-ZNTNEXAZSA-N 421.363 6.509 0 40 HKAB O=C(Cc1csc(-c2ccccn2)n1)OCC(=O)c1ccc(C2CCCCC2)cc1 12845661 WDQOOPMVAOSPNE-UHFFFAOYSA-N 420.534 5.221 0 40 HKAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Cc1ccc(F)cc1 12976959 VGCVPYAWWJUOCM-UHFFFAOYSA-N 402.263 5.049 0 40 HKAB Cc1c(NC(=O)c2cc3ccccc3o2)cccc1C(=O)N1CCc2sccc2C1 13022929 IHVOFNOPIQQHAU-UHFFFAOYSA-N 416.502 5.254 0 40 HKAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 13168138 PJJIKOHJKWOVGS-UHFFFAOYSA-N 410.640 5.857 0 40 HKAB CC(C)=CCc1cc(-c2oc3cc(O)c(CC=C(C)C)c(O)c3c(=O)c2O)ccc1O 14727563 XHCCZOWAHHBCAK-UHFFFAOYSA-N 422.477 5.300 0 40 HKAB biogenic,in-vitro O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccc2oc3ccccc3c2c1 15326312 KAYOCXOEKIHNMW-UHFFFAOYSA-N 409.367 5.593 0 40 HKAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccc2c(c1)nc1n2CCCCC1 15356464 JKQWQZNHMRAFIX-UHFFFAOYSA-N 420.513 5.207 0 40 HKAB Cc1ccc2c(c1)cc(C(=O)N1CCN(C(c3ccccc3)c3ccccc3)CC1)n2C 19913885 SBYTWQHIUDRMKJ-UHFFFAOYSA-N 423.560 5.034 0 40 HKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cccc2ccccc12 20152228 YVDCYFIVAGKOMZ-UHFFFAOYSA-N 416.502 5.027 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 20462590 DTMHZBMFDCZWLL-VWLOTQADSA-N 403.522 5.791 0 40 HKAB COc1ccc(-c2c(C)oc3c4c(ccc3c2=O)OCN(Cc2cccs2)C4)cc1 20676286 REMGIXLYSJRWDK-UHFFFAOYSA-N 419.502 5.191 0 40 HKAB biogenic COc1ccc(/C=C/c2nc3ccccc3nc2OCc2ccccc2Cl)cc1 24522660 BWXMKHJZNCYUPO-NTCAYCPXSA-N 402.881 6.041 0 40 HKAB Cc1ccc(-c2ccsc2C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 26390647 OWUIPBPAASTURH-KRWDZBQOSA-N 402.523 5.137 0 40 HKAB O=C(CCc1cccs1)NCc1ccccc1-c1ccc(CN2CCCC2)cc1 26403543 BNMYHPUVODZNPL-UHFFFAOYSA-N 404.579 5.260 0 40 HKAB COc1ccc(-c2cc(NC(=O)c3oc4ccc(Cl)cc4c3C)on2)cc1OC 27985763 CIHSTBXRGPIRFT-UHFFFAOYSA-N 412.829 5.319 0 40 HKAB Cc1ccc(-c2nc(CCNC(=O)c3oc4cc(C)c(Cl)cc4c3C)cs2)cc1 27991899 HHYILYRFUBOBOO-UHFFFAOYSA-N 424.953 6.107 0 40 HKAB O=C(N[C@@H](C[C@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1)C1CCC1 36734731 RJASJPPNRNWZKT-GGAORHGYSA-N 411.977 5.137 0 40 HKAB CCc1cccc(C)c1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 38856953 CKIBYLRTTSPPSM-UHFFFAOYSA-N 415.375 5.171 0 40 HKAB Cc1nc(-c2cccc(NC(=O)CCC(=O)c3ccc4c(c3)CCCC4)c2)oc1C 40155323 VJJCGHGBJDBBFW-UHFFFAOYSA-N 402.494 5.439 0 40 HKAB Cc1ccc(-c2cnc(SCc3ccccc3)n2-c2ccc(OC(F)F)cc2)cc1 44088194 MFVPBQDFLAHBJE-UHFFFAOYSA-N 422.500 6.741 0 40 HKAB COc1ccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc23)cc1Cl 49005203 SNNKWZHKMUKHON-OAHLLOKOSA-N 424.932 5.358 0 40 HKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3nc(-c4cccs4)cs3)c12 61717950 PCTWSRNSNWLKQW-UHFFFAOYSA-N 418.503 5.636 0 40 HKAB CN(C)c1nc2sc(C(=O)Nc3cccc(C4SCCCS4)c3)cc2s1 64748391 INZOKSFDLCFEDD-UHFFFAOYSA-N 421.638 5.545 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(Cl)c2F)nc1 67294361 RVURMVHEKCTXAX-ROMGYVFFSA-N 423.831 5.119 0 40 HKAB CCCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 72215647 KMOOMOBSZVAQSD-NRFANRHFSA-N 401.595 6.093 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)c(F)c4)nccn3n2)cc1C 72328551 CCFGAPQVIWOEFA-UHFFFAOYSA-N 424.476 5.022 0 40 HKAB COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCC2)cc1OC(C)C 85412754 QVIHIQJQMDOQBK-FQEVSTJZSA-N 415.559 5.364 0 40 HKAB Cc1cccc(C(=O)NC(=S)Nc2ccc3nc(-c4cccc(C)c4)oc3c2)c1 98086905 XEBYEVNHWPNBJI-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB CCOc1ccc(/N=c2/scc(-c3ccc(Cl)s3)n2C[C@@H]2CCCO2)cc1 103370556 ICIBKWBIOXNIMU-JDAKFOBDSA-N 420.987 5.742 0 40 HKAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(OCc4ccccc4F)cc3)cc2)n1 141586974 FPINTDXOVYMHCW-UHFFFAOYSA-N 415.468 5.460 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223346151 MHTUCCWSUXANJM-AOMKIAJQSA-N 420.018 6.529 0 40 HKAB COc1ccc(/C=C(/C(=O)NCCOc2cc(C)cc(C)c2)c2ccccc2)cc1 224055701 YKDFUULYZNCGMA-XIEYBQDHSA-N 401.506 5.048 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccc2ccccc2c1 224311299 BEMSRLHUAXUAIA-UHFFFAOYSA-N 411.501 6.297 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c2ccccc2O1 224905581 UMCBDIVRJHVNQL-OXJNMPFZSA-N 401.934 5.615 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C(=O)OC 225681440 SKUKHXHRTFVESO-UHFFFAOYSA-N 413.489 5.242 0 40 HKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225745730 DXZVBTNARMVXHV-PXDATVDWSA-N 418.622 5.501 0 40 HKAB CN(C(=O)C(F)(F)F)c1ccc2nc(-c3cccc4c(Cl)cccc34)oc2c1 226269833 DTVWXUVDEXQUNI-UHFFFAOYSA-N 404.775 5.827 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)/C(=C/c3ccco3)c3ccccc3)ccc21 408563807 QWLDUDJXUZYXEC-PTGBLXJZSA-N 406.485 6.587 0 40 HKAB COc1c(C)cccc1C(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 408627123 KLCHTCXHEGXMSY-UHFFFAOYSA-N 400.478 6.188 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 408994668 IJUNNVMAHVBRTQ-YUXAGFNASA-N 410.300 6.163 0 40 HKAB CCCCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC 409216153 IEMRSYAZSMYGBI-PGMHBOJBSA-N 411.523 5.153 0 40 HKAB COc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 409375872 QGISBGMFZJIZDY-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB Cc1ccc(N2CCN(C(=O)c3sc4cccc(Cl)c4c3Cl)C[C@H]2C)cc1 657447 MBZQPLFGDJWNHN-CQSZACIVSA-N 419.377 5.867 0 40 HKAB COc1ccc([C@H](CC(=O)c2ccco2)Sc2ccc(Cl)cc2)cc1OC 945406 ULBKTHAHCYWOJY-NRFANRHFSA-N 402.899 6.057 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C(=O)Nc3ccc(OC)cc3)ccc2Cl)cc1 1006652 ZYFFDFIMLCHFCI-UHFFFAOYSA-N 424.884 5.252 0 40 HKAB Cc1ccccc1C(=O)N1CCc2cc(-c3csc(NC(=O)C4CCC4)n3)ccc21 1355672 GDIYRKQGUGGFBR-UHFFFAOYSA-N 417.534 5.060 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccccc1Br 1738653 YTBUAYBIAXUWFM-UHFFFAOYSA-N 409.308 5.978 0 40 HKAB CN(C)CCOc1ccc(N[C@H]2c3ccccc3CSc3ccc(Cl)cc32)cc1 2049814 HVCBOHOLCYKAES-DEOSSOPVSA-N 424.997 6.088 0 40 HKAB CCCCCCSc1nnc2c(n1)O[C@@H]([C@H]1CC=C(C)CC1)Nc1ccccc1-2 2073888 ZNAMFBGPSXMBEN-UWJYYQICSA-N 410.587 6.088 0 40 HKAB O=C(Oc1ccc2ccccc2c1Br)c1sc2ccccc2c1Cl 2134644 XAEMDOYKPPOVFA-UHFFFAOYSA-N 417.711 6.690 0 40 HKAB CC[C@H](COC(=O)Nc1ccc(C)cc1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1 2197005 VYWITLFLFCGMMF-QUCCMNQESA-N 418.946 5.250 0 40 HKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)C2CCCCC2)cc1 2323858 PGJQQAUKZSDPKC-UHFFFAOYSA-N 401.510 5.035 0 40 HKAB Cc1ccccc1-n1nc(C)c2cc(C(=O)NCCc3ccc(Cl)cc3)sc21 2378113 JSJBRAKVWABKPF-UHFFFAOYSA-N 409.942 5.330 0 40 HKAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(Br)cc1Cl 2634736 LPNJFAGDFAUTDL-UHFFFAOYSA-N 414.686 6.183 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5ccnn5C(F)F)nc4c23)C1 2798113 XGZYWCMYXQUZRW-LLVKDONJSA-N 416.501 5.139 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 3193741 OKHFNYRQLDAHPL-UHFFFAOYSA-N 415.280 6.281 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2ccc(Cl)cc2)cc1 3307986 YHIMFDYBXCAUHH-LFIBNONCSA-N 413.908 6.153 0 40 HKAB Cc1cccn2c(NC(=O)c3cccc(Br)c3)c(-c3ccccc3)nc12 4137186 WIXNGNVYFWLLGL-UHFFFAOYSA-N 406.283 5.325 0 40 HKAB O=C(Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2)c1ccccc1 4175914 VJRUCPFYRZUELB-UHFFFAOYSA-N 413.502 5.664 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(F)c2)cc1OC 5188720 NQQMUZMKDHPNJE-HYBUGGRVSA-N 404.441 5.085 0 40 HKAB COc1cccc(Oc2c(-c3ccc(OCc4ccccc4)cc3O)n[nH]c2C)c1 5196960 GUZWLXIIMWMCHE-UHFFFAOYSA-N 402.450 5.471 0 40 HKAB Cc1cccc2c(=O)c(-c3ccc4c(c3)OCO4)c(NC(=O)C3CCCCC3)oc12 5451426 ARBRASIDUGJOFJ-UHFFFAOYSA-N 405.450 5.016 0 40 HKAB Cc1c([C@@H]2[C@@H](CCNC(=O)c3ccccc3)C2(C)C)c2ccc3ccccc3c2n1C 5477737 GPAQXIUXIAYECU-NOZRDPDXSA-N 410.561 6.200 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2ccc3ccccc3n2)c2ccccc2)c1 5626744 CIYCBZJQWHNSBQ-DEOSSOPVSA-N 412.514 5.910 0 40 HKAB CCn1c2ccccc2c2ccc(/C=C/[C@]34NC(=O)CN3c3ccccc3C4(C)C)cc21 5657600 LJQIGGYRTKWYAN-MJAMSPNLSA-N 421.544 5.452 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)C2CCCC2)cc1C 6085182 PSWNBZBPIAMIIG-UHFFFAOYSA-N 412.382 5.744 0 40 HKAB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)CC(C)C)cc1 6956329 ILXNNDOAINKJIB-UHFFFAOYSA-N 408.325 5.749 0 40 HKAB CCOc1cc(CNC2CCCCC2)ccc1OCc1ccc(Cl)cc1Cl 8254571 LKVHYGDBCYRJAC-UHFFFAOYSA-N 408.369 6.393 0 40 HKAB Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)c1 8410948 LZDLWZTVUIDGBN-NDENLUEZSA-N 408.910 6.299 0 40 HKAB O=C(Nc1ccc2nc(SCCOc3ccccc3)sc2c1)c1ccccc1F 8830895 YMDDAQKUSWGLMI-UHFFFAOYSA-N 424.522 5.859 0 40 HKAB O=C1Nc2ccccc2/C1=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 9296350 QKXUYJBSSMTSOO-RQZCQDPDSA-N 414.263 6.204 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2C)cc1 10315210 UVSUIQGJOHLHBV-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB COc1ccc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)c(OC)c1 10659460 CKHUELJUPRIPQK-UHFFFAOYSA-N 422.510 5.010 0 40 HKAB Cc1cc([C@@H]2CCCCCN2C(=O)c2c(-c3c(F)cccc3Cl)noc2C)on1 12133888 UGXYUEMMXWOARO-INIZCTEOSA-N 417.868 5.496 0 40 HKAB O=C(NCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1)c1ccccc1 12622718 FYJYGJDGCXWQQI-UHFFFAOYSA-N 410.304 5.321 0 40 HKAB C[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccccc1Br 12778429 FAUAJUMCORJHDI-LLVKDONJSA-N 407.358 5.054 0 40 HKAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3ccccc3Cl)cc2)o1 12935543 FQMSMNCWKKJIII-UHFFFAOYSA-N 417.896 5.638 0 40 HKAB Cc1cc(-c2csc(NC(=O)c3cccc(Cl)c3)n2)c(C)n1C[C@@H]1CCCO1 13041443 SZQRRVZIKIFJAI-KRWDZBQOSA-N 415.946 5.313 0 40 HKAB C[C@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2n1Cc1cccc(Cl)c1 13597183 OFUUHFIBPLQLNH-JJJPLKNQSA-N 415.924 5.629 0 40 HKAB Cn1c(-c2ccccc2)c([C@H]2c3ccccc3C(=O)N2C[C@H]2CCCO2)c2ccccc21 13942408 XXIOKGIROTXMJU-NFQMXDRXSA-N 422.528 5.570 0 40 HKAB Cc1cc(OCC(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3ccccc23)ccc1Cl 15835589 IIUUDXIQDUAJNC-HSZRJFAPSA-N 424.953 5.818 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(Cl)ccc3Cl)o2)cc1Cl 16313038 ZQZKRQHOIFEMQA-RMKNXTFCSA-N 406.696 6.867 0 40 HKAB CC1=C(C)[C@H](NC2CCCCCCCCCCC2)N([C@H](C)CCc2ccccc2)C1=O 20158451 IRXHHOJTUFUDPU-AJTFRIOCSA-N 424.673 6.775 0 40 HKAB CCOC(=O)c1ccccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 20458117 VCTRPWKCBGRNHN-UHFFFAOYSA-N 421.518 5.287 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1Br 22920507 AZTGCLXHHFTTHW-UHFFFAOYSA-N 405.144 5.628 0 40 HKAB CCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1 27744574 WMHUWISAFFSXMJ-HSZRJFAPSA-N 414.505 5.137 0 40 HKAB Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1cccc(C2SCCCS2)c1 31887595 PXSHRQWVNQPZSL-UHFFFAOYSA-N 414.527 5.910 0 40 HKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 32116600 HPFFWJCYTGFTMP-GOSISDBHSA-N 414.505 6.541 0 40 HKAB Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1 32692443 SFHSLHDJSCXDOU-UHFFFAOYSA-N 411.530 5.850 0 40 HKAB O=C(CCc1ccc2c(c1)OCCO2)N[C@@H](c1ccccc1)c1cc2ccccc2o1 32845957 DGOBMOMQOMKORH-SANMLTNESA-N 413.473 5.042 0 40 HKAB O=C1C[C@H](Nc2ccc(Cl)c(Cl)c2)C(=O)N1c1ccc(Cl)cc1Cl 36635894 URICGKLWTBXWCL-ZDUSSCGKSA-N 404.080 5.044 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCN(Cc2ccccc2F)CC1 39753502 KEVKQTRMEYTFPX-UHFFFAOYSA-N 418.512 5.255 0 40 HKAB COc1cccc(-c2cc(=O)n3c4ccccc4n(Cc4ccc(Cl)cc4)c3n2)c1 40484717 HBRIQWKEYGUENN-UHFFFAOYSA-N 415.880 5.027 0 40 HKAB CCOc1ccc2ccccc2c1C(=O)N(Cc1ccsc1)Cc1ccccn1 44446061 FGDNBYVKJPABLU-UHFFFAOYSA-N 402.519 5.538 0 40 HKAB Cc1cc(C)c(NC(=O)CSC2=NC3(CCCC3)N=C2c2cccs2)c(C)c1 46022382 OUSOHZDYYZNWMT-UHFFFAOYSA-N 411.596 5.517 0 40 HKAB O=C1C2=C(CCCC2)[C@H](N[C@H]2CCCc3ccccc32)N1CCc1ccc(Cl)cc1 57256212 JDUZKWIQKHHAOK-LOSJGSFVSA-N 420.984 5.589 0 40 HKAB CN(c1ccc(NCc2cc3cc4c(cc3[nH]c2=O)CCC4)cc1)C1CCCCC1 57718575 YMYPYRQKPJRHPN-UHFFFAOYSA-N 401.554 5.398 0 40 HKAB COc1ccc([C@H](NC(=O)/C=C(\c2ccccc2)C2CCCC2)c2ccccc2)cc1 71260637 KXTJATROTDXBTJ-MYYVYBLQSA-N 411.545 6.175 0 40 HKAB Cc1noc(C)c1COc1ccc(/C=C2\SC(=O)N=C2Nc2ccccc2)cc1 71284904 AYTHGGKXBMPMDJ-NDENLUEZSA-N 405.479 5.589 0 40 HKAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72214895 LQXWSCADSWBTGY-OAQYLSRUSA-N 423.557 5.599 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H](C(=O)O)[C@@H]([C@@]3(C)CCCCC3=O)CC[C@]12C 85341236 CGYXDTVDPDQBGI-AZLQKVRJSA-N 404.635 6.742 0 40 HKAB biogenic,in-vitro COc1ccc(OC)c(NC(=O)NC23C[C@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)c1 100888918 FNGCHFRKGHCKDW-UFINEARASA-N 420.553 5.424 0 40 HKAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 216484952 SKZXUSBXWHPCGA-INIZCTEOSA-N 413.876 5.142 0 40 HKAB Cc1ccc(N2CCC(C(=O)NCCSCc3c(F)cccc3Cl)CC2)cc1 219854413 BKYZPORPKQTIGJ-UHFFFAOYSA-N 420.981 5.054 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(CNC(=O)[C@@]5(C)CC5(Cl)Cl)(C4)C2)C3)cc1C 222367599 YZMIMWHIZYRODV-WQUVPCFMSA-N 420.424 5.842 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccc(C(C)(C)C)cc1 224179599 DRULYVMZEWOKSW-UHFFFAOYSA-N 417.549 6.441 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1cccc(Cl)c1 224487352 XGLPWMUDSVALSF-UHFFFAOYSA-N 423.940 6.441 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccc(OC)cc1 224597301 YHHQXRNFOIPHDL-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB CCCCOCc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1OCC 224727421 URLUYAJACDEZIG-UHFFFAOYSA-N 424.310 5.556 0 40 HKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 225123544 ALGBCILFKIAKLK-VWLOTQADSA-N 420.597 5.102 0 40 HKAB CC(C)(C)c1ccccc1O[C@H](Cc1ccccc1Sc1ccccc1)C(=O)O 225130923 ZQPLBQZTRINSEH-JOCHJYFZSA-N 406.547 6.210 0 40 HKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225735345 UMKUXPGPQHRTGM-PXDATVDWSA-N 418.622 5.357 0 40 HKAB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 257348737 IHNZLUIZUNADFX-WVSSVNHHSA-N 414.674 7.102 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C)n(C4CCCCC4)c3C)N21 260772273 NFOOPFNIKALYIL-YSZBQJHXSA-N 408.615 5.985 0 40 HKAB Cc1cc(Br)ccc1NCc1ccccc1OCc1cccc(Cl)c1 408613858 WPAYHTIVUPIJFS-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB CC(=O)c1cccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 408622758 RJDKYXYYNGYEJB-JXMROGBWSA-N 400.261 6.108 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc1OC 408624146 URLIVCAVDSQSQD-UHFFFAOYSA-N 421.493 5.927 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccc(F)cc2)cc1 408693619 BBCXHHFUGQALGE-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB CCOc1ccccc1/C=C1\S[C](Nc2ccccc2)N([C@H]2CCCC[C@@H]2C)C1=O 408800202 NRXTYYAVCSNIPX-BCLRBPHWSA-N 421.586 6.139 0 40 HKAB Cc1ccc(-c2sc(NC(=O)c3cccc(F)c3)nc2-c2ccccc2)cc1C 408822606 BJPOJXBVBCVZNG-UHFFFAOYSA-N 402.494 6.485 0 40 HKAB Cc1cccc(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)c1 409110181 TXPYGUSQJHIJSE-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1cccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@@H](c2ccccc2)N3)c1 409123329 GEWLIQISMJUQIE-QJORRVHFSA-N 408.545 6.544 0 40 HKAB COc1cccc(CN2CC[C@H](OCc3csc(C)n3)[C@H](Cc3ccccc3)C2)c1 2055754790 UDUAQMJZVXGAFI-RDGATRHJSA-N 422.594 5.110 0 40 HKAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2(C)c2ccccc21 707296 SHTXIQKEXQRWRO-QQNJPBSNSA-N 413.904 5.219 0 40 HKAB Cc1ccc(NC(=O)[C@H]2Cc3ccccc3CN2C(=O)OCc2ccccc2)c(C)c1 854805 VCDDNRYPGNIFLB-XMMPIXPASA-N 414.505 5.006 0 40 HKAB CCn1c(S[C@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1cccc(C)c1 917265 MCFZANDQGNYCDD-QGZVFWFLSA-N 416.550 5.546 0 40 HKAB O=C(c1cccc(F)c1)N1CCc2cc(-c3csc(NC4CCCC4)n3)ccc21 1354368 GCTLYYANFQUPRB-UHFFFAOYSA-N 407.514 5.507 0 40 HKAB COc1ccccc1NC(=O)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 1378333 NBHYJOHFUKCVMP-UHFFFAOYSA-N 419.525 5.130 0 40 HKAB COc1ccc(-c2cnn3cc(-c4ncc(C(F)(F)F)cc4Cl)cnc23)cc1 1388212 FSUVJGREXGBZEG-UHFFFAOYSA-N 404.779 5.139 0 40 HKAB Brc1ccc(-c2nnc3c4ccccc4nc(Nc4ccccc4)n23)cc1 1400146 OZBMTAWDGHTNTF-UHFFFAOYSA-N 416.282 5.451 0 40 HKAB CCCCCCSc1nc2nc3c(cc2c(=O)n1-c1ccccc1C)CCCC3 1809542 NDQCAWVMZJAPFH-UHFFFAOYSA-N 407.583 5.640 0 40 HKAB Cc1cccc(COc2ccccc2/C=C2\N=C(c3ccc4ccccc4c3)OC2=O)c1 2060981 AKCHVSXQOHLTSW-UQQQWYQISA-N 419.480 6.072 0 40 HKAB COc1ccc2nc(SCC(=O)N3c4ccccc4C(C)=CC3(C)C)nc(C)c2c1 2292574 WZQGNKCNNDZHEM-UHFFFAOYSA-N 419.550 5.268 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1c2ccccc2Oc2ccccc21 2310119 PBIKJIZLVFZGNS-UHFFFAOYSA-N 407.469 6.142 0 40 HKAB O=C(CSc1ncnc2c1oc1ccccc12)Nc1cc(Cl)cc(Cl)c1 2400599 ZOJSNIKEDHWWIN-UHFFFAOYSA-N 404.278 5.414 0 40 HKAB O=c1c2[nH]c3ccccc3c2nc(SCc2ccccc2)n1-c1ccc(Cl)cc1 2720939 AFAXEPZPNZBSCO-UHFFFAOYSA-N 417.921 5.813 0 40 HKAB CCCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CCCCC2 2739793 ZMDJGPYTIGEFNX-JLHYYAGUSA-N 417.958 5.889 0 40 HKAB O=P1(Nc2ccc3ccccc3c2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3212461 UJWLLMKGLRJHAM-UHFFFAOYSA-N 409.425 7.557 0 40 HKAB CCOc1ccccc1NC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12 3235484 MQWHMAJPKWHXEG-UHFFFAOYSA-N 418.496 6.706 0 40 HKAB O=C1S/C(=C\c2cccc(Cl)c2Cl)C(=O)N1c1ccc(Cl)c(Cl)c1 3765804 HKAUSOFOALCCLX-MLPAPPSSSA-N 419.116 6.541 0 40 HKAB O=C(OCc1ccc2ccccc2c1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 4610481 MRNSONCDOQUVBM-UHFFFAOYSA-N 406.441 5.914 0 40 HKAB O=C(Nc1nc2ccccc2n1CCOc1ccc(F)cc1)c1ccc(Cl)cc1 4663758 ABFIYHYWUVJOIT-UHFFFAOYSA-N 409.848 5.160 0 40 HKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2cccc(O)c2)cc1 4928795 PUPHTMFZUPWQNE-QHCPKHFHSA-N 415.880 5.494 0 40 HKAB Cc1ccc(Sc2cc(Sc3ccc(C)cc3)nc(-c3ccccc3)n2)cc1 5617788 OWHHPCGYPHQZNK-UHFFFAOYSA-N 400.572 7.063 0 40 HKAB Cc1cc(Nc2ccccc2)nc(SCC(=O)c2ccc(Br)cc2)n1 5739949 KKGHMVFQGKNWCJ-UHFFFAOYSA-N 414.328 5.266 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)CCCc2nc3ccccc3s2)cc1OCC 6646583 FBJVFXAQVXYLDD-MRXNPFEDSA-N 412.555 5.294 0 40 HKAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2nc(-c3ccccc3)cs2)cc1 7038749 MJBQQTPLTJMEHV-UHFFFAOYSA-N 419.506 5.175 0 40 HKAB c1ccc(-c2ccc(CSc3nnc([C@H]4COc5ccccc5O4)o3)cc2)cc1 7089182 SFYWFTKSVQNAMF-OAQYLSRUSA-N 402.475 5.541 0 40 HKAB CCn1c(SCC(=O)N(c2ccccc2)C2CCCCC2)nnc1-c1ccco1 8130699 FRGZZZYBJBDPBZ-UHFFFAOYSA-N 410.543 5.016 0 40 HKAB Brc1ccccc1-c1nnc2sc(Cc3cccc4ccccc34)nn12 8453218 SDCMRXVUPUOCNI-UHFFFAOYSA-N 421.323 5.359 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)NC3CCCCC3)nc2-c2cccc(Cl)c2)c1 8476718 JVHSOVXMZSXVFI-UHFFFAOYSA-N 408.933 5.267 0 40 HKAB CN(Cc1ccccc1N1CCCC1)C(=O)c1cc(-c2cccnc2)nc2ccccc12 8777549 ANERROHTFKSFOK-UHFFFAOYSA-N 422.532 5.169 0 40 HKAB COc1ccc(-c2c(C)nn3c4c(cnc23)C(=O)C[C@@H](/C=C/c2ccccc2)C4)cc1 9290202 RGBFQHQKGWTMQH-SGQUHAKNSA-N 409.489 5.172 0 40 HKAB O=C(c1ccc(COc2ccccc2)o1)N1CCC[C@@H]1c1nc2ccccc2s1 9582097 WFWAGNVUKQQVRJ-LJQANCHMSA-N 404.491 5.446 0 40 HKAB CSc1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)cc1 11836540 BSWSPJDORZXLGX-UHFFFAOYSA-N 407.322 5.942 0 40 HKAB c1cc(CNc2ncc(-c3ccsc3)c(-c3nccs3)n2)cc(-n2ccnc2)c1 12221805 REMMJJQRNTVSDJ-UHFFFAOYSA-N 416.535 5.126 0 40 HKAB C[C@H]1CCc2c(sc(NC(=O)c3ccn(C)n3)c2-c2nc3ccccc3s2)C1 12444378 CLVPVEYWAFJQLY-LBPRGKRZSA-N 408.552 5.135 0 40 HKAB COc1ccccc1C(=O)N(Cc1cc2ccccc2[nH]c1=O)c1cc(C)ccc1C 13595928 RMDOQKHZLLZQDO-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB O=C(/C=C/c1cc(Cl)ccc1Cl)Nc1ncc(Cc2ccccc2Cl)s1 13634340 BJIVOFZMKSQFKV-VMPITWQZSA-N 423.752 6.346 0 40 HKAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1cc(Br)ccc1Cl 14385971 QCIGRGVVRQUTMG-VQHVLOKHSA-N 413.702 5.920 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1cc2ccccc2o1 15018950 XDZVLRNIKKTHEK-UHFFFAOYSA-N 424.551 5.164 0 40 HKAB COc1ccc(CN(Cc2ccccc2OC)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 19554765 GHSQOSFQMQGXBN-LOSJGSFVSA-N 421.512 5.028 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(CN2CCCc3ccccc32)cc1 20047026 PAVAEMUVUOIZLF-UHFFFAOYSA-N 410.439 5.911 0 40 HKAB O=C(c1ccn(COc2ccc(-c3ccccc3)cc2)n1)N1CCCc2ccccc21 27972035 GGVZAYZYIKMVGJ-UHFFFAOYSA-N 409.489 5.180 0 40 HKAB CSc1ccc(Cl)c(C(=O)Nc2ccc(-n3cccn3)cc2C(F)(F)F)c1 31967629 OKVUJPYDSZLVNT-UHFFFAOYSA-N 411.836 5.519 0 40 HKAB Cc1ccc(-c2noc3nc(-c4ccco4)cc(C(=O)N4CCCC[C@H]4C)c23)cc1 36618444 GMFFXUVIARXDDR-MRXNPFEDSA-N 401.466 5.473 0 40 HKAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@H](C)c1cccc(OC(C)C)c1 40112881 DVMICHSFYTVGEE-MRXNPFEDSA-N 411.933 5.171 0 40 HKAB Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)Nc2cccc(Cl)c2)n1 46012020 PIXAWIOXEGLWMN-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 46078796 VRMULHJYWYEFPZ-UHFFFAOYSA-N 420.896 5.194 0 40 HKAB CCCCOc1ccc(-c2cc(C(=O)Nc3nc4c(C)cc(C)cc4s3)no2)cc1 46086587 GETFDSCHXNIARL-UHFFFAOYSA-N 421.522 5.999 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N(C)Cc2nc3ccccc3s2)c1 49651007 JEFSZEUJEXBKEN-XMMPIXPASA-N 415.562 5.725 0 40 HKAB O=C(CN[C@H](c1ccccc1)c1ccc(O)cc1)Nc1ccccc1Oc1ccccc1 58173722 KERDBFPPPUORBE-HHHXNRCGSA-N 424.500 5.502 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(F)c2C)c(C)c1 67297328 BPDFIYPAWDWISY-FVDSYPCUSA-N 400.453 5.982 0 40 HKAB O=C(Cc1ccc(C(F)(F)F)cc1)N1CCCC[C@H]1c1nc2ccccc2s1 69653528 TUPIFMUJZQPAIU-KRWDZBQOSA-N 404.457 5.611 0 40 HKAB O=C(c1ccc2ncccc2c1)N1CCC[C@@H]1c1ccnc(-c2ccc(Cl)cc2)n1 72361057 SMCKEAQGRDQAJH-JOCHJYFZSA-N 414.896 5.323 0 40 HKAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1Cc1ccc2ncccc2c1 72370358 JMLLOLZGLPCSIP-LJQANCHMSA-N 415.562 5.016 0 40 HKAB CC(C)(C)c1ccc(-c2noc(-c3ncn4c3CO[C@H](c3ccc(F)cc3)C4)n2)cc1 97077657 JOILAFKHICJTCF-FQEVSTJZSA-N 418.472 5.308 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cccc(F)c2)c1 102768442 XVWMWDAFAVMVOE-UPVQGACJSA-N 406.888 6.338 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 103718419 WOBXDRXBYDSWRL-VIFPVBQESA-N 418.107 5.292 0 40 HKAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)[C@@H](CC(F)(F)F)C[C@H]4[C@@H]3CC[C@@H]2C1 118933845 ZSYUPDORWXUGGF-RETHYOHDSA-N 414.508 5.708 0 40 HKAB CCOC(=O)C(C)(C)CCCCCC(O)CCCCCC(C)(C)C(=O)OCC 136813498 NAGFJKQLAWRYMW-UHFFFAOYSA-N 400.600 5.427 0 40 HKAB Cn1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c2ccccc21 214804537 ZFGJYXBVDOUMSO-GIJQJNRQSA-N 417.317 5.722 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)NCCSc1ccc(Cl)cc1 223233726 PFDLXESOFNQFAA-UHFFFAOYSA-N 404.359 5.274 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2cccc(Cl)c2)c1 224151686 ONBDDWXQEVCGLZ-UHFFFAOYSA-N 423.940 6.305 0 40 HKAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1CSc1ccc(C)cc1 224338802 WCTAXPGLKYVBRU-UHFFFAOYSA-N 423.534 5.565 0 40 HKAB O=C(NCCSCc1ccc(Cl)cc1)c1cc(Br)ccc1Cl 225068490 DQFWXSFYGWSKFS-UHFFFAOYSA-N 419.171 5.419 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 225289399 OSIVDWHSRBPDQQ-XMMPIXPASA-N 405.542 5.074 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)c1 225511187 CPQCEDNTPPYNOB-HSZRJFAPSA-N 418.562 5.556 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@H](CC)c2ccc(C)cc2C)cc1Cl 225716494 FPOVDZPPTBNHAU-LJQANCHMSA-N 404.963 5.571 0 40 HKAB COC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1cccc(Cl)c1Cl)N2 247840844 NUZQUUYDZHIJEP-LAOWDRHUSA-N 402.321 6.077 0 40 HKAB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 247842158 ONASDRLHBXVPID-HEYXNXDSSA-N 402.321 6.077 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccc(F)cc2)c1 408697996 KUJCZIZRTKIKRD-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccc(C)cc3)n2)cc1 408726657 SKEWUFDWMAWCOH-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB COc1ccc(C2=N/C(=C/c3cccc(OCc4ccccc4Cl)c3)C(=O)O2)cc1 409072578 WBFQHRGDKCSAHC-HYARGMPZSA-N 419.864 5.272 0 40 HKAB Clc1ccc(NCc2ccc(OCc3ccc(Br)cc3)cc2)cc1 409174694 UFCNTTZRTLQLJF-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB CC(C)CC(=O)NC(=S)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 724354 JLTQHOHOJIVASD-UHFFFAOYSA-N 403.507 5.507 0 40 HKAB O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(Cl)cc1Cl 825607 WGVGWWAIOWWCDK-UHFFFAOYSA-N 402.100 5.618 0 40 HKAB COc1ccc(C(=O)N2c3c(C)cccc3-c3c(ssc3=S)C2(C)C)cc1 898787 YMAIJHCHCXHUEP-UHFFFAOYSA-N 413.589 6.419 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc3c(C)cc4ccc(C)c(C)c4n23)c1C 903129 LUHLXXMJKIVMAM-UHFFFAOYSA-N 404.539 5.155 0 40 HKAB Cc1cc(C)c(C)c(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)c1 957225 VKZOMURNBWRZKV-UHFFFAOYSA-N 406.459 5.791 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc2c1CCCCC2 995363 YHIOVEFBZOKWNB-UHFFFAOYSA-N 407.919 5.108 0 40 HKAB CC1(C)C[C@]2(C[C@H](c3ccccc3Cl)Oc3cc(O)c(Cl)cc32)NC(=S)N1 1065282 PMUHCWYQISFPNP-XLIONFOSSA-N 423.365 5.065 0 40 HKAB Cc1c(N2CCCC2)cc2c(c1NC(=O)c1ccccc1Cl)C(C)(C)CC2(C)C 1572767 MEFFWHUBVHSLML-UHFFFAOYSA-N 410.989 6.460 0 40 HKAB in-vitro CC(C)(C)c1cc(NC(=O)CSc2ccc3ccccc3n2)cc(C(C)(C)C)c1 2063548 HILDOHKUIJOMIV-UHFFFAOYSA-N 406.595 6.561 0 40 HKAB Cc1cc(C)c2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)Cc1ccccc1 2260703 UBDYNPJMNLNRMH-UHFFFAOYSA-N 411.617 6.647 0 40 HKAB CC(C)C[C@@H](NC(=O)CCCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 2320361 RWDHRLIRKNUPLU-HSZRJFAPSA-N 420.553 5.137 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1C 2453090 OBGBZXCOESQTFE-UHFFFAOYSA-N 408.571 5.127 0 40 HKAB COc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3cc(C)ccc3C)oc12 2686802 JVJFMHJBSIRRBS-IZHYLOQSSA-N 419.502 5.123 0 40 HKAB COc1ccc(NC(=O)CSc2nc3ccccc3nc2-c2ccccc2)cc1 2699476 ZDCZTWSWTORWMK-UHFFFAOYSA-N 401.491 5.036 0 40 HKAB O=C(N[C@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl)OCc1ccccc1 3065289 JACRQPMNCLCOPA-SFHVURJKSA-N 423.727 5.874 0 40 HKAB Cc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1Cl 3173762 PUEZOTNZCVNKJA-UHFFFAOYSA-N 405.860 5.893 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 4554814 UZFPMQGYGMDABV-UHFFFAOYSA-N 416.546 6.413 0 40 HKAB Cc1ccc(-c2nc(SCc3ccccc3)nn2-c2nc3ccccc3s2)cc1 4672908 SFALLMYYIZHBRS-UHFFFAOYSA-N 414.559 6.145 0 40 HKAB Fc1ccc(CSc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 4711747 YMWPIOSCIUCDFE-UHFFFAOYSA-N 403.486 5.790 0 40 HKAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc(F)c2)n2c(nc3ccccc32)N1 4742059 ZSDFRRSAEDBQTP-QFIPXVFZSA-N 416.431 5.242 0 40 HKAB c1ccc(CNc2nc(NCc3ccccc3)c3c4c(sc3n2)CCCC4)cc1 5603287 SZAWMRGYFGHROJ-UHFFFAOYSA-N 400.551 5.794 0 40 HKAB COc1ccc([C@H]2CN(C)C[C@H]2C(=O)c2ccc(C3CCCCC3)cc2)cc1Cl 6228412 LSZXSJRLEMPHQV-FGZHOGPDSA-N 411.973 5.924 0 40 HKAB Cc1cccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)c1C 6566984 CQLWMBUGKALFNL-UHFFFAOYSA-N 401.535 6.039 0 40 HKAB c1ccc2c(c1)N=C(c1ccc3ccccc3c1)C[C@H](c1cccc3ccccc13)S2 6576610 RPIIXKQGDLCXIA-GDLZYMKVSA-N 415.561 8.351 0 40 HKAB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)s2)cc1 6650427 PSODWQFXHRFFAD-LJIGWXMPSA-N 404.605 5.012 0 40 HKAB O=C(c1cc2c(F)cccc2s1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 7181159 LASUZRIMFYIVBP-UHFFFAOYSA-N 408.420 5.022 0 40 HKAB Clc1cccc(N2N=C(c3ccc(Br)cc3)C[C@H]2c2cccs2)c1 8397981 QBVMRWHWZVTWHV-SFHVURJKSA-N 417.759 6.520 0 40 HKAB CCSc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 8600219 ONYGLXWISRBQNK-UHFFFAOYSA-N 404.560 6.636 0 40 HKAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc21 8959753 MDMXQJWKMQBHRI-UHFFFAOYSA-N 424.585 5.249 0 40 HKAB Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1cc(Cl)ccc1N1CCCCC1 9220632 ZHZQYCNRYLJUTC-UHFFFAOYSA-N 417.962 5.301 0 40 HKAB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(C)c1 9288568 DZWVWYPOHKIMEM-DEOSSOPVSA-N 424.504 5.281 0 40 HKAB O=C(Nc1ncc(Cc2ccccc2)s1)c1cccnc1Sc1ccccc1 9536444 FYOLHGLIHQYTIJ-UHFFFAOYSA-N 403.532 5.532 0 40 HKAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1ccc(Cl)cc1C(F)(F)F 9632192 ZFIBUUWVTLEPBQ-UHFFFAOYSA-N 421.802 5.236 0 40 HKAB CCOc1ccccc1CCCNC(=O)c1ccc(CSc2ccccc2)cc1 10110864 XVGAUXVZFUZYSW-UHFFFAOYSA-N 405.563 5.740 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1Cl 10120025 ZUFHDHLAVGNOSO-UHFFFAOYSA-N 406.869 5.723 0 40 HKAB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)C(C)(C)C)n(C2CCCC2)c1C 12409891 COIJZXUAQYAAMR-UHFFFAOYSA-N 402.560 5.037 0 40 HKAB CCc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)c(OC)c4)=NN23)cc1 13787130 AZUWZPOJYMRUBV-GJZUVCINSA-N 414.505 5.509 0 40 HKAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1nc(-c2ccccn2)cs1 14688724 KGVZVOVYGWVFEU-UHFFFAOYSA-N 417.559 5.666 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCCCC2)o1 15860411 LHYFFNGGYOROQU-GOSISDBHSA-N 400.906 5.253 0 40 HKAB Cc1ccc(SCc2cccc(C(=O)N3CC(=O)Nc4ccccc43)c2)c(C)c1 15911734 HMQMFUUTTIEJSJ-UHFFFAOYSA-N 402.519 5.195 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3cc4cc(F)ccc4nc3C)n2)c(OC)c1 19666857 CXFFYTJMUPRQAX-UHFFFAOYSA-N 423.469 5.075 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 19691455 RUNWVTXAYSMPQB-VWLOTQADSA-N 413.496 5.584 0 40 HKAB Cn1c([C@H]2CCCN(C(=O)c3cc(C4CC4)nc4ccccc34)C2)nc2ccccc21 19714767 MWVGFMDYEZROSA-SFHVURJKSA-N 410.521 5.019 0 40 HKAB CCCCOP(=O)(OCCCC)[C@H](NCc1ccccc1)c1ccc(OC)cc1 20102841 PWXSVOMTJRHYKW-QHCPKHFHSA-N 419.502 6.310 0 40 HKAB COc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)ccc1-c1ccc(CO)o1 20140242 WEDSAJLGWISXGC-UHFFFAOYSA-N 423.852 5.613 0 40 HKAB O=C(Nc1ccccc1F)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 20239944 JNWZWTSKYQYAFV-UHFFFAOYSA-N 402.513 5.533 0 40 HKAB O=C(Nc1cccc(Cl)c1)[C@H]1CC(O)=Nc2c(-c3ccc(Cl)cc3)cnn21 20726027 YHXCBCLCPOEULK-MRXNPFEDSA-N 401.253 5.028 0 40 HKAB CCCn1nc(NC(=O)c2ccc(C(C)(C)C)cc2)c2cc3cc(C)ccc3nc21 21596583 VDEDFOYCGBUFQT-UHFFFAOYSA-N 400.526 5.853 0 40 HKAB Cc1c(C)n(-c2ccccc2)c2ncn3nc(-c4ccccc4Br)nc3c12 21801112 ISBDMQXSXMBWOS-UHFFFAOYSA-N 418.298 5.115 0 40 HKAB CC(C)c1ccc(NC(=O)c2cccnc2Nc2ccccc2Br)cc1 22072997 JXQUOJPLZLUUAJ-UHFFFAOYSA-N 410.315 5.963 0 40 HKAB O=C(COc1ccccc1)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 27749145 CURHCDJFKJNOFF-FQEVSTJZSA-N 404.897 5.148 0 40 HKAB Cc1ccc(N[C@@H](NC(=O)OCc2ccccc2Cl)C(Cl)(Cl)Cl)cc1 27987835 NMOXDOFFZQRTHG-HNNXBMFYSA-N 422.139 5.683 0 40 HKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1ccccc1C(C)C 28284484 WDVSHJWBZFASIA-UHFFFAOYSA-N 423.534 5.733 0 40 HKAB COC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1 29511173 GVSDBHBVUPRZRB-UHFFFAOYSA-N 416.408 5.187 0 40 HKAB CC(C)Cc1ccc([C@H](NCc2nc3sc4c(c3c(=O)[nH]2)CCC4)C(C)C)cc1 32759977 LIEKIJJPFLTAPW-JOCHJYFZSA-N 409.599 5.159 0 40 HKAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)c1ccccc1 32876770 VSEDFYRGGQHCJF-AEFFLSMTSA-N 404.539 5.459 0 40 HKAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 32960939 UEIOEYXPUAMBMA-KRWDZBQOSA-N 417.553 5.092 0 40 HKAB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CC2)c1ccccc1 96398710 QVAXOPQTVULLSQ-FXBPSFAMSA-N 419.480 5.761 0 40 HKAB CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Nc3ccc(F)cc3)c2c1 100894206 IHSCKKMFBZJNQT-UHFFFAOYSA-N 422.481 5.349 0 40 HKAB C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118913218 GMBQZIIUCVWOCD-IZRQUEKYSA-N 416.646 5.794 0 40 HKAB in-vitro COc1ccc(S[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1OC 216278495 ILNBRPURLGXZNY-IBGZPJMESA-N 421.562 5.413 0 40 HKAB CC[C@H](NC(=O)CCCN1C(=O)c2cccc3cccc1c23)c1ccc(C)c(C)c1 219473475 CVKTZAYYHXCGBK-QFIPXVFZSA-N 400.522 5.465 0 40 HKAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccccc2Sc2ccccc2)S1 222606013 BPSSCIFRCNXIPC-SSKFGXFMSA-N 403.576 5.822 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1OCC 222694976 GVUORUYPQHNNNE-ZWKOTPCHSA-N 411.542 5.008 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 223470974 NLQDFDTWPVFIHL-LJQANCHMSA-N 411.851 6.034 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1CSc1ccc(C)cc1 224661561 MSOUHWYOZLOATP-UHFFFAOYSA-N 405.563 6.501 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 225364536 YELYHCMMWOKOPP-MIDMBNTASA-N 418.562 5.322 0 40 HKAB CCOC(=O)c1cc(NC(=S)N[C@@H](CC(C)C)c2ccccc2)ccc1Cl 225494915 VQZMFORFRYESHS-IBGZPJMESA-N 404.963 5.591 0 40 HKAB CCCCOc1c(C)cc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C 225578520 QVEGNJNUHQHUCC-UHFFFAOYSA-N 415.961 5.823 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCCN2C(=O)c2ccnn2C(C)C)n1 257214866 CNTNSZJSLLDOAJ-QFIPXVFZSA-N 406.505 5.341 0 40 HKAB CCOc1ccccc1-c1ccc(C(=O)O)c(CCc2cc(Cl)cc(Cl)c2)n1 257238484 HLEBYNMHTBSCGB-UHFFFAOYSA-N 416.304 5.938 0 40 HKAB CCOc1ccc(C(=O)O)cc1-c1cc(-c2ccccc2OCC)n(CC(C)C)n1 257256612 KMFLIBRRCUWCGN-UHFFFAOYSA-N 408.498 5.369 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccccc1-c1nc2ccccc2s1 408576256 WPDKREJLQFQMBJ-BMRADRMJSA-N 422.509 6.875 0 40 HKAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 409017492 WYEKOWZKINQZQG-WMRWHDLOSA-N 411.523 5.417 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2ccccc2F)cc1 409171639 BRCMCRHPEFPHSY-HHHXNRCGSA-N 422.503 6.500 0 40 HKAB O=C(Cn1cc(-c2nc3ccccc3s2)c2ccccc21)Nc1ccc(F)cc1 409190163 LTHRNVQMTQOVME-UHFFFAOYSA-N 401.466 5.696 0 40 HKAB CCOC(=O)c1cnc2c(-c3ccccc3)c(C(F)(F)F)nn2c1-c1ccccc1 409218316 HXWSLEJZOURQSV-UHFFFAOYSA-N 411.383 5.259 0 40 HKAB CCc1cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)sc1-c1ccccc1 585152256 HIHOPTHYRMLGKS-UHFFFAOYSA-N 424.525 7.038 0 40 HKAB CC(C)C(=O)N1CCCCCCCNCc2cc(-c3ccc(F)cc3F)ccc21 643576590 UOEWDTCQUFUJQX-UHFFFAOYSA-N 400.513 5.675 0 40 HKAB CCOc1ccc(CN2CCCCCCCN(C(=O)C(C)C)c3ccccc3C2)cc1 643588184 BRIMETXYVYSFTJ-UHFFFAOYSA-N 422.613 6.041 0 40 HKAB CC(C)CC(=O)Nc1cccc(-c2nnc(-c3cccc(NC(=O)CC(C)C)c3)o2)c1 852560 QXUSECRREZCGON-UHFFFAOYSA-N 420.513 5.373 0 40 HKAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)Nc3ccc(C(C)C)cc3)C3CC3)cc2c1 1364775 JHMJWXUYWWQYTG-UHFFFAOYSA-N 403.526 5.465 0 40 HKAB CC(=O)Nc1ccc2nc(NC(=O)c3cccc(Oc4ccccc4)c3)sc2c1 1514359 XWXMRFPSOICFBB-UHFFFAOYSA-N 403.463 5.299 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 1850053 HENPYQFNVSHUBB-RMKNXTFCSA-N 410.300 6.225 0 40 HKAB COc1ccc(CCn2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1 2254294 LNYYGJVKANBHBG-UHFFFAOYSA-N 414.896 5.551 0 40 HKAB Cc1ccc(NC(=O)N(CCO[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)C2CCCCC2)cc1 2289360 OPEXHECXYNEPKO-VAPDBKPJSA-N 412.618 6.393 0 40 HKAB Cc1nc(Nc2ncc3c(n2)C[C@@H](c2ccc(Cl)cc2)CC3=O)nc2ccccc12 2436020 UZFUHRPOPIUGMM-OAHLLOKOSA-N 415.884 5.038 0 40 HKAB O=c1cc(CSCc2cccc3ccccc23)nc2ccc(Br)cn12 2655125 YJTOGVPXLGRHET-UHFFFAOYSA-N 411.324 5.044 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 2663707 LQJPOJAGFKHILU-UHFFFAOYSA-N 417.490 5.183 0 40 HKAB O=S(=O)(Nc1cc2c3c(oc2c2ccccc12)CCCC3)c1ccc(Cl)cc1 3170347 YCHKXMYDHIGDMS-UHFFFAOYSA-N 411.910 5.919 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)/C=C/c1cccs1)c1ccccc1 3239431 JUXBHHJGIVXGGT-UFSNDUKISA-N 407.491 5.002 0 40 HKAB c1ccc(Oc2cccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)c2)cc1 3310603 UILBIVOUTOHOLC-UHFFFAOYSA-N 404.447 5.550 0 40 HKAB Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3sccn23)cc1C 4734351 GTLCQLCBWYUTLU-UHFFFAOYSA-N 404.539 5.260 0 40 HKAB O=C(Oc1ccccc1C(=O)Oc1ccc2ccccc2c1)c1ccc(Cl)cc1 4746515 YWRRXLPEWZNWFK-UHFFFAOYSA-N 402.833 5.932 0 40 HKAB Cc1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3ccc(Cl)c(Cl)c3)c12 4969941 MILKTDLVAHNMTQ-UHFFFAOYSA-N 404.300 6.856 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)c3oc4c(c3C)[C@H](O)CC(C)(C)C4)ccc21 5324771 LTTGIUXNLOBRQB-OAQYLSRUSA-N 416.521 5.974 0 40 HKAB COc1ccc(Nc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)cc1OC 6320147 WVBKJSFQIVGUCA-UHFFFAOYSA-N 418.522 5.393 0 40 HKAB CCCCCOc1ccc(C(=O)Nc2ccc3c4c(cccc24)C(=O)N3CC)cc1 6321159 UCEFZADXHCGVKL-UHFFFAOYSA-N 402.494 5.641 0 40 HKAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)c3ccc(Br)cc3)n2c1 6971036 PBRLSXLSALXVCQ-UHFFFAOYSA-N 406.283 5.325 0 40 HKAB COc1ccc(CNCc2cc(Br)ccc2OCc2ccccc2)cc1 7538387 YAYQYCDKSJBBGJ-UHFFFAOYSA-N 412.327 5.327 0 40 HKAB CSc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)[nH]2)C(=O)O)cc1 7603256 UYJUKXQYJHBPQM-GDNBJRDFSA-N 403.916 5.065 0 40 HKAB COc1ccc(OC)c([C@H]2CCCN2Cc2cc(=O)oc3cc(C)c(Cl)cc23)c1 7718399 GPYAVSMVFYBCIC-HXUWFJFHSA-N 413.901 5.109 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc3nc(SC)sc3c2)cc1OCC 8072848 LNHFWKWSORZCCA-UHFFFAOYSA-N 416.568 5.848 0 40 HKAB Cc1nc2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)cc2s1 8185642 CNAAJTOTHYYTSN-UHFFFAOYSA-N 411.490 5.105 0 40 HKAB c1ccc(-c2ccc(-c3nc(-c4cccc5ccccc45)[nH]c3-c3ccccc3)cc2)cc1 8424559 WOLRODNAFFWUGI-UHFFFAOYSA-N 422.531 8.231 0 40 HKAB COc1cccc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1 8497387 ZLSLGIKNZJRHTI-KMMQNZHGSA-N 405.582 5.969 0 40 HKAB COc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(F)cc23)cc1OC 8595142 LSRWLUVOFCZCBN-UHFFFAOYSA-N 417.415 5.536 0 40 HKAB CC(C)Oc1cccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)c1 8902710 BCRPQDBKDYPYBQ-UHFFFAOYSA-N 421.478 5.181 0 40 HKAB CC(C)c1cccc2sc(N(Cc3ccccn3)C(=O)CCc3ccccc3)nc12 9037365 CFMKVASINPTNRF-UHFFFAOYSA-N 415.562 5.981 0 40 HKAB Cc1ccsc1CN(Cc1ccco1)C(=O)COc1cc(C)c(Cl)c(C)c1 9204596 MVSPCRWLHKCWOC-UHFFFAOYSA-N 403.931 5.528 0 40 HKAB Brc1cccc(-c2nc(CSc3nnc4n3CCCCC4)cs2)c1 9713049 WTMNZOBSJKUUDR-UHFFFAOYSA-N 421.389 5.183 0 40 HKAB Cc1ccc2oc(C(=O)Oc3cc(-c4ccccc4)c4oc(=O)sc4c3)c(C)c2c1 12062588 UYSSNMXFQXUEHV-UHFFFAOYSA-N 416.454 6.104 0 40 HKAB FC(F)Sc1ccc(NC(=S)NN(Cc2ccccc2)c2ccccc2)cc1 12524478 HKDHYHYZUSZRME-UHFFFAOYSA-N 415.534 5.910 0 40 HKAB O=C1CCC[C@H]1Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 12633789 JEIAUDVQBPIHPG-LJQANCHMSA-N 408.914 5.283 0 40 HKAB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccccc1C(F)(F)F 12768384 HQVQYTWNSLOFIH-UHFFFAOYSA-N 414.431 5.333 0 40 HKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccccc1Cl 12855288 WCIWKKHXLDTJJW-UHFFFAOYSA-N 420.896 6.533 0 40 HKAB CCCCc1noc([C@H](C)Sc2nc3ccsc3c(=O)n2-c2ccccc2)n1 12971922 AHEGNEAIXCIXQL-ZDUSSCGKSA-N 412.540 5.026 0 40 HKAB CN(C)[C@H](CNc1ncnc2sc3c(c12)CCCC3)c1c(F)cccc1Cl 13040025 OKWZNQZHBWIXPX-OAHLLOKOSA-N 404.942 5.077 0 40 HKAB Cc1ccc(OC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1C 13040072 SVQAYSHRFCEUBH-UHFFFAOYSA-N 412.839 5.193 0 40 HKAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(F)cc1Cl 13112191 NHBGFHPBCTYHJD-SNVBAGLBSA-N 422.938 5.253 0 40 HKAB O=C(CCSCc1ccccc1)NCCSCc1ccc(Cl)cc1Cl 13688018 VYHBSCHTLXXQLE-UHFFFAOYSA-N 414.423 5.666 0 40 HKAB COc1ccc(-c2c(C(F)(F)F)oc3c4c(ccc3c2=O)OCN(C(C)C)C4)cc1 13733891 MNNHJPJOLYFQPR-UHFFFAOYSA-N 419.399 5.048 0 40 HKAB biogenic C/C(=C\c1ccccc1)[C@H]1C(=O)N(c2cccc(C)c2C)CC(=O)N1c1ccc(C)cc1 15412331 ULMIPQCNKBEGRQ-WRINRREJSA-N 424.544 5.464 0 40 HKAB Oc1cccc2ccc(/C=C/c3ccc(/C=C/c4ccc5cccc(O)c5n4)cc3)nc12 16431674 RWXKQHRDJZHBCD-JOBJLJCHSA-N 416.480 6.535 0 40 HKAB O=C(COc1ccc(F)cc1Cl)N1CCc2sccc2[C@H]1c1ccccc1 16963855 FXGLMMCKROMIJG-OAQYLSRUSA-N 401.890 5.094 0 40 HKAB Fc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3cc(Cl)ccc3Cl)n2)cc1 17082130 HBGACMGQUYDKDL-UHFFFAOYSA-N 401.243 6.791 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCC(Cc2ccccc2)CC1 20492352 KTVAXDUKNOEMPU-UHFFFAOYSA-N 408.394 5.708 0 40 HKAB Cc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)cc1C 21524708 CDLQZJDLXAFXJC-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB CCOc1ccc(-[n+]2cc(-c3ccc(-c4ccccc4)cc3)n3c2CCCCC3)cc1 26441609 YPIQKMPSSUNUKM-UHFFFAOYSA-N 409.553 6.224 0 40 HKAB Cc1nn2c(Nc3ccc(N(C)C)cc3)cc(-c3ccccc3)nc2c1-c1ccccc1 27585029 MAINHKUFBLNNEN-UHFFFAOYSA-N 419.532 6.181 0 40 HKAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)Cn1c(Cc2ccccc2)nc2ccccc21 28297130 MXTUQGKQBVVTNU-HSZRJFAPSA-N 423.560 5.568 0 40 HKAB Cc1csc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCCC3)n1 32103189 DGRSBDWODGSFBY-FQEVSTJZSA-N 423.582 5.275 0 40 HKAB C[C@@H](Sc1ncc(Cl)cc1Cl)c1nc(=O)c2c(-c3ccco3)csc2[nH]1 32778802 MQUKQLNTQHMAHR-MRVPVSSYSA-N 424.334 5.800 0 40 HKAB O=C(CCc1nnc(-c2ccccc2)o1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 32845946 FEKNBKHJGAXKIE-VWLOTQADSA-N 423.472 5.321 0 40 HKAB COc1cc(-c2nc3ccccn3c2Nc2ccc(Br)cc2)ccc1O 35615933 XWDOUVMEMSDLPO-UHFFFAOYSA-N 410.271 5.222 0 40 HKAB COc1cc(CN(C)C(=O)c2cc3cc(Cl)ccc3nc2C)ccc1OC(F)F 36634369 YSZKELZMNSJRGQ-UHFFFAOYSA-N 420.843 5.079 0 40 HKAB COc1cc(Br)c2oc(-c3cc(Cl)c(OC)c(Cl)c3)nc2c1 45920256 YJXPVWTWNHISBR-UHFFFAOYSA-N 403.059 5.581 0 40 HKAB O=C(N1CC=C(c2c[nH]c3ccccc23)CC1)N1CC=C(c2c[nH]c3ccccc23)CC1 48286681 ZVJUGLPPEOJYHS-UHFFFAOYSA-N 422.532 5.648 0 40 HKAB CCOC(=O)c1c(CN(C)Cc2cccs2)nc2ccccc2c1-c1ccccc1 58163308 CJNXRAINIRERJI-UHFFFAOYSA-N 416.546 5.772 0 40 HKAB CCn1c(CN2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)nc2ccccc21 72375340 NFUUEMUESCROIG-NRFANRHFSA-N 412.541 5.235 0 40 HKAB c1ccc(CN2COc3ccc4c5c(ccc4c3C2)OCN(Cc2ccccc2)C5)cc1 90751661 ZQMYHQFLCMONLU-UHFFFAOYSA-N 422.528 5.544 0 40 HKAB CC(C)c1nccc(C2CCN(C(=O)[C@@H](C)Oc3cccc(Cl)c3Cl)CC2)n1 95431188 BIYLEYGQIBMTMH-CQSZACIVSA-N 422.356 5.080 0 40 HKAB CN(C)C(=O)Sc1cccc(CN[C@@H]2CCOc3c(-c4ccccc4)cccc32)c1 96006936 ZAGCEXSTCDYHEK-HSZRJFAPSA-N 418.562 5.741 0 40 HKAB O=C(Nc1cc(F)cc(F)c1)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1 96038070 IWQLLUTWLYTICS-UHFFFAOYSA-N 414.415 5.323 0 40 HKAB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@@H]1c1ccccc1 100429294 WKLOLQJVZKVBMU-PIKZIKFNSA-N 422.528 6.647 0 40 HKAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)c3cc(C)c(C)s3)CC2)on1 100743681 TXUCKDNKIRMNJF-HDICACEKSA-N 424.570 5.131 0 40 HKAB CCc1ccccc1NC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 101485369 AXLJFPDAZQOYMK-OJAUKTCHSA-N 422.572 6.798 0 40 HKAB COc1ccc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)c(OC)c1OC 102798041 GHTUVFNVRMNFLK-NRFANRHFSA-N 408.498 5.584 0 40 HKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccccc3Cl)cc2Cl)cc1 107643824 LOFXYIRGZNFVKE-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB O=C(Cn1cc(C(=O)c2ccccc2)c2ccccc21)Nc1cc(Cl)cc(Cl)c1 107720609 UPSZEMMKFCEVHW-UHFFFAOYSA-N 423.299 5.818 0 40 HKAB Cc1c(C(=O)Nc2ccc(OCc3ccccc3F)cc2)n(C)c2ccc(Cl)cc12 141596601 ZJIGQONVTYZZLP-UHFFFAOYSA-N 422.887 6.111 0 40 HKAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(CSc2ccccc2)cc1 222638694 QFMKHXFFPLXDTE-UHFFFAOYSA-N 405.519 5.321 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccccc3Sc3ccccc3)N21 222689626 PHYKAUPOQSAPMW-MQNAVGNWSA-N 417.603 6.212 0 40 HKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 222953902 YCLPKQSSXIVNJN-QFIPXVFZSA-N 408.542 5.162 0 40 HKAB C[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCC2 223154099 FLQRLTSRCWTTHW-FQEVSTJZSA-N 410.561 5.225 0 40 HKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3cccc(C)c3)c2)cc1Cl 224112783 KZWLXRYTECSNEU-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB COc1cccc(OCc2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2OC)c1 224253334 VLJAMNUFAZYKQZ-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 224449579 NZHJTVBIEADNMA-GOTSBHOMSA-N 414.509 5.189 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1cc(C)cc(C)c1C 224608040 INTRTOISNFVWSV-UHFFFAOYSA-N 417.549 6.459 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1 225371845 WHVINAMBTIMRJX-UHFFFAOYSA-N 420.723 7.010 0 40 HKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN(C)C)cc1 225742376 HPBBTUBIOOAMLU-UHFFFAOYSA-N 406.611 5.213 0 40 HKAB CCCCc1ccc(NC(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)cc1 225805548 RLATZYWYXCMNES-UHFFFAOYSA-N 417.431 5.669 0 40 HKAB O=C(O)c1cccc2c1N[C@@H](c1ccccc1C(F)(F)F)[C@@H]1Cc3ccccc3[C@@H]21 226333989 JLYGZQVAUKMGFP-GIVPXCGWSA-N 409.407 5.875 0 40 HKAB COc1c(C(=O)Nc2ccc(Cl)cc2N)cc2ccccc2c1Br 226347609 MZZPAOYIWDZYCG-UHFFFAOYSA-N 405.679 5.099 0 40 HKAB CCCOc1ccccc1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O 408600219 AKGBMHYCHGWWRN-VCHYOVAHSA-N 405.878 5.504 0 40 HKAB O=C(O)c1cccc(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1 408614075 YBMPPLBWQIIKIZ-UHFFFAOYSA-N 420.267 6.022 0 40 HKAB Cc1cccc(COc2ccccc2/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)c1 409079200 KMJHSVAQBOHECB-JWGURIENSA-N 420.578 5.307 0 40 HKAB CCCN1C(=O)S/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)C1=O 409354421 FFTFPMKVEZSQCQ-WOJGMQOQSA-N 422.333 6.019 0 40 HKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1C 409382899 XIAJCEMIDXRIME-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1)c1ccccc1 680621 RTEIMFXDIXZQPL-UHFFFAOYSA-N 422.506 5.663 0 40 HKAB Cc1cccc(OCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 1827423 LOWLPPBXXIIQKQ-UHFFFAOYSA-N 418.924 5.885 0 40 HKAB O=C(NC1CCCCC1)/C(=C/c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 1889033 AKZCYMJHKNIHNY-MOSHPQCFSA-N 417.336 5.213 0 40 HKAB CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2C)cc1 1931429 VKZABHGGCKERSO-QGZVFWFLSA-N 417.933 5.792 0 40 HKAB COc1ccccc1[C@@H](CC(=O)NCCc1ccccc1)c1ccc(OC(C)C)cc1 2091437 DVNLTGRIUMJKRS-VWLOTQADSA-N 417.549 5.363 0 40 HKAB biogenic Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Oc2ccc3ccccc3c2)cc1 2543375 IBRBOCYFODFYNT-UHFFFAOYSA-N 420.468 6.848 0 40 HKAB Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4)cc2-3)OCO5)cc1C 2690091 XIYXFBCZCDZHMN-UHFFFAOYSA-N 407.473 5.597 0 40 HKAB Cc1ccc2nc(NC(=O)c3cc(Br)ccc3OC(F)F)sc2c1 2791721 UHBTUGSULITYOG-UHFFFAOYSA-N 413.243 5.221 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F 3012970 CZNXWZQWVKVKDT-ZFWWWQNUSA-N 410.783 5.042 0 40 HKAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1 3219332 SEOQRMNZWWXPBV-UHFFFAOYSA-N 410.297 5.095 0 40 HKAB CCCCc1ccc(N(C(=O)Nc2ccc(Cl)cc2)C2=N[C@H](CC)CS2)cc1 3227237 LGULBFYVPFXVGE-GOSISDBHSA-N 415.990 6.603 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccn(-c4ccccc4)n3)c3ccccc3n2)cc1 3242148 YQPBSSBXDPMXSP-UHFFFAOYSA-N 404.473 5.648 0 40 HKAB O=C(OCc1c(Cl)cccc1Cl)c1cc(-c2cccs2)nc2ccccc12 3317701 KTZVQYFQXLLQGI-UHFFFAOYSA-N 414.313 6.627 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3ccc(-c4ccc(C(C)=O)cc4)o3)n2)cc1 3396166 AETWIOMECNBVEQ-UHFFFAOYSA-N 418.474 5.534 0 40 HKAB Cc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccc3c(c2)OCO3)cc1C 4492522 VQQDXPVQLGLLLZ-QPLCGJKRSA-N 414.530 5.843 0 40 HKAB O=C(Nc1ccccc1)N(Cc1nnc2n1CCCCC2)c1ccc(F)c(Cl)c1 4518202 BHZWULYOXLMHPX-UHFFFAOYSA-N 413.884 5.036 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(Cl)c2Cl)N3)C1 4554568 UPLWCKTUEVEBBQ-VOJFVSQTSA-N 423.409 7.025 0 40 HKAB CC(C)OC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCC2 4651296 SGNLVJSCQRLUHZ-UHFFFAOYSA-N 401.572 5.347 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1 4838556 KJVGDXPSEUINBZ-UHFFFAOYSA-N 402.519 6.395 0 40 HKAB CCN(CC)c1ccc2c(c1)OC(=O)[C@H]1[C@@H](c3ccccc3)[C@@H](/C=C/c3ccccc3)[C@@H]21 5247184 RKLFVJNLWODOCW-QVAAZKDWSA-N 423.556 6.279 0 40 HKAB Cc1cccc(C(C)C)c1N1COc2c(Cl)cc3c4c(c(=O)oc3c2C1)CCCC4 5352608 HEQMTXJAYSMXMZ-UHFFFAOYSA-N 423.940 6.114 0 40 HKAB O=c1oc2ccccc2c(-c2cnc3c(c2)COc2ccccc2-3)c1-c1ccccc1 5395151 SNUOXRXCUCQJJW-UHFFFAOYSA-N 403.437 6.081 0 40 HKAB Cc1cc2oc(=O)cc(CSc3nnc(-c4ccccc4Cl)n3C)c2cc1C 5448362 RSSNICIFVLWCLA-UHFFFAOYSA-N 411.914 5.151 0 40 HKAB OC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2ccc(Br)cc2)SC1 5478468 JATJMPKPYNMGHJ-GOSISDBHSA-N 414.328 5.118 0 40 HKAB COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OC(C)C 5644153 QCSWAAQOKHYZII-RIYZIHGNSA-N 405.281 5.335 0 40 HKAB CC(=O)Oc1c(C)c(C(c2ccccc2)c2ccccc2)c(OC(C)=O)c2ccccc12 5699420 ROPYOEGDEVVEET-UHFFFAOYSA-N 424.496 6.179 0 40 HKAB Cc1cccc(NC(=O)NC[C@H]2C[C@H](NC(=O)Nc3cccc(C)c3C)C2(C)C)c1C 6217539 IOHOOSISEDKQAW-KNQAVFIVSA-N 422.573 5.278 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)cc2OC)N3)C1 6396231 AJCCTVNKUQXJLC-RNODOKPDSA-N 414.571 5.735 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)/C=C/c4ccco4)ccc3o2)cc1C 6627687 HJVHQWLFPHVNGT-CSKARUKUSA-N 417.490 5.231 0 40 HKAB Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)s2)cc1 6650422 PSODWQFXHRFFAD-QBYUYEEZSA-N 404.605 5.012 0 40 HKAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2cccc(Cl)c2)cc1 7141378 RSSWEVXIBWYQSD-QHCPKHFHSA-N 420.896 5.105 0 40 HKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1C 7927992 DKSDXJCZLLVTME-IBGZPJMESA-N 400.478 5.087 0 40 HKAB Cc1nc(-c2ccc(NC(=O)c3cc(C(C)C)nc4c3cnn4C(C)C)cc2)cs1 8129047 LTKVZQRJKBEDOH-UHFFFAOYSA-N 419.554 5.820 0 40 HKAB CCOc1c(Br)cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1OC 8253362 QBVCVWFHOCQEGA-XSXQVXRUSA-N 422.407 5.551 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1SC[C@H]1CCCO1 8327448 BUUNPJQWZAKOMV-JKSUJKDBSA-N 412.580 5.401 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C)c2cccc3ccccc23)c1 8340712 IEPGANYAKZJGLR-MRXNPFEDSA-N 400.478 5.515 0 40 HKAB Cc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccc(Cl)cc2)c(C)c1 8476432 XYXMEQZFAIGKLU-UHFFFAOYSA-N 416.912 5.135 0 40 HKAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)N(Cc1ccco1)C1=CCCCC1 8755445 KQOZZEFKIYDTSB-UHFFFAOYSA-N 413.474 5.048 0 40 HKAB Cc1cccc(CSCCNC(=O)c2ccccc2SCc2ccccc2)c1 10434217 VIQDNGVGHGRKRC-UHFFFAOYSA-N 407.604 5.951 0 40 HKAB Cc1cccc(Cc2cnc(NC(=O)CCc3ccc(-c4ccc(F)cc4)o3)s2)c1 11666868 YJECHTZPHNPASJ-UHFFFAOYSA-N 420.509 6.013 0 40 HKAB CC(C)c1ccc(S(=O)(=O)Nc2ccccc2NC(=O)Nc2ccccc2)cc1 12541826 FATHWVPPKVDVRP-UHFFFAOYSA-N 409.511 5.255 0 40 HKAB CCOc1ccc(OCC(=O)N[C@@H](c2ccc(CC)cc2)c2cccc(F)c2)cc1 12858592 BDZAOCIYCAMLSO-VWLOTQADSA-N 407.485 5.071 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c1 14118863 VVWNUKDSMQGLDG-ZDUSSCGKSA-N 418.415 5.380 0 40 HKAB O=C(Cc1ccccc1F)Nc1cc(Cl)cc(Br)c1OC(F)F 14170359 AMQGUQRMBHQJHC-UHFFFAOYSA-N 408.601 5.024 0 40 HKAB Cc1ccc(NC(=O)Nc2nnc(Cc3ccc(Cl)c(Cl)c3)s2)cc1C 17045458 LXLWZBXILJEKRY-UHFFFAOYSA-N 407.326 5.697 0 40 HKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c1 17090045 SJBUIZGRWSBBMA-UHFFFAOYSA-N 414.534 5.282 0 40 HKAB CCCOc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1 17092049 NJARFOPNZCVAPP-UHFFFAOYSA-N 419.959 5.174 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccccc1F 17092738 JZQLERJRRXSTEM-UHFFFAOYSA-N 421.522 5.538 0 40 HKAB COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cc3c(F)cccc3Cl)n2)c1 17093313 KLGRJENGAUFYDN-UHFFFAOYSA-N 422.887 6.075 0 40 HKAB Cc1ccc([C@@H](NC(=O)c2ccccc2OCc2ccccc2)c2ccccc2)cc1 20461013 ZEJWTIZHOLCEGQ-MHZLTWQESA-N 407.513 6.093 0 40 HKAB CN(Cc1nc2ccccc2s1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 21937160 FVNSEFLCMLFVQX-UHFFFAOYSA-N 418.362 5.606 0 40 HKAB COc1ccc(OC)c(NC(=O)c2ccc(COc3cccc4ccccc34)o2)c1 28223689 YKNBTMXCFUXVCV-UHFFFAOYSA-N 403.434 5.281 0 40 HKAB CCOc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)ccc1O 36614567 XGYONAAGJOZHRO-CDCUFJRJSA-N 407.554 5.172 0 40 HKAB Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)s2)cc1 39761495 XASITJHQGIBGHL-UHFFFAOYSA-N 414.490 5.018 0 40 HKAB CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccccc2C(C)C)C1 44803597 DOXFOEUJDHXLRI-SFHVURJKSA-N 418.541 5.007 0 40 HKAB Cc1occc1C(=O)Nc1cc(NC(=O)N2CCC[C@H]2c2ccsc2)ccc1F 46011605 JZAYZPLJTGDPFG-IBGZPJMESA-N 413.474 5.410 0 40 HKAB O=C(Nc1cc2ccccc2nc1C1CCCCC1)c1ccc(Br)cc1 57773415 NUNXGKQPVQBBRZ-UHFFFAOYSA-N 409.327 6.297 0 40 HKAB CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2cccnc2)cc1 67258374 BQLDREYTZMPXBW-UHFFFAOYSA-N 415.562 5.430 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc3c(c2)OCO3)c(C)c1 67297156 ZKHWABUGETZQAF-QPLCGJKRSA-N 412.445 5.263 0 40 HKAB CC(=O)Nc1ccc(CN2CCC(c3cccc(Cc4ccccc4F)n3)CC2)cc1 72349935 KYYSQGCKVISLKN-UHFFFAOYSA-N 417.528 5.150 0 40 HKAB Cc1ccccc1NC(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96037738 HCERATYNBIBRDN-UHFFFAOYSA-N 408.505 5.583 0 40 HKAB CCc1ccc(-c2nc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3o2)cc1 98086959 ZBGHXZLFUUIHRN-UHFFFAOYSA-N 415.518 5.113 0 40 HKAB Clc1ccc([C@H](Cn2ccnc2)OCc2cc(Cl)ccc2Cl)c(Cl)c1 202419124 UXZDCVPAHZEYLF-SFHVURJKSA-N 416.135 6.455 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2c(C)cc(C)cc2C)c1 223116582 BOJLQLLCKAQVDH-STZFKDTASA-N 404.535 5.391 0 40 HKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C1CCCC1 223341668 CBBDGHZQBOHDBC-XZOQPEGZSA-N 420.582 5.381 0 40 HKAB COc1ccc(/C=C(/C(=O)NCCOc2ccccc2C(C)C)c2ccccc2)cc1 223747587 BUGJHINSDBGTMM-NCELDCMTSA-N 415.533 5.554 0 40 HKAB CCC[C@@H](C)NC(=O)c1ccc(OC)c(COc2ccc(-c3ccccc3)cc2)c1 224222785 NVPWKUGEZYXHOW-LJQANCHMSA-N 403.522 5.860 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(C)cc3)c2)cc1 224338440 NMQCVVNTXQVMEC-UHFFFAOYSA-N 407.535 5.947 0 40 HKAB CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1O 224875845 OJEFTQCRGTWELC-UXHICEINSA-N 412.946 5.000 0 40 HKAB O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCC(Cc2ccccc2)CC1 224894908 VJOJJSFOCISLTN-UHFFFAOYSA-N 422.528 6.104 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225164184 HNFMSYGKGMDSCQ-NRFANRHFSA-N 420.534 5.593 0 40 HKAB Cc1cc(NC(=O)C2(c3ccccc3Cl)CCCC2)ccc1OCc1ccccc1 225527312 MRXVJVNHLPQMBL-UHFFFAOYSA-N 419.952 6.678 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2ccccc12 225685861 PDHDTGZIWWJDFH-UHFFFAOYSA-N 421.968 6.979 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@@H](CC)c2ccc(C)c(C)c2)cc1Cl 225711875 SWCXUVQHIAWARY-IBGZPJMESA-N 404.963 5.571 0 40 HKAB O=C(CCc1nc(-c2ccccc2Cl)no1)NC(c1ccccc1)c1ccccc1 225811982 SFXZVROMTIJGSH-UHFFFAOYSA-N 417.896 5.228 0 40 HKAB S=C(Nc1ccc(CSc2ccccc2)cc1)NC1(c2cccnc2)CCCC1 225855693 ACTORPWPSKEFLQ-UHFFFAOYSA-N 419.619 6.130 0 40 HKAB CCN(CC)c1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1Br 226332165 DLYJYNHFJZNQGT-UHFFFAOYSA-N 421.338 6.771 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(OCCN3CCCC[C@H]3C)cc2)CCC[C@@H](C)C1 260814532 KIZABORJMJDYAW-DNRQZRRGSA-N 416.606 5.254 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc1OCC 408617489 CLEAZMMWJUOOPA-UHFFFAOYSA-N 421.493 5.927 0 40 HKAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc(C)cc1 408812450 MYPDYPXWVWTOMW-WQRHYEAKSA-N 417.914 5.292 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CCCCC1 409027562 LIIMTQXVCZELCR-UHFFFAOYSA-N 402.947 5.133 0 40 HKAB Cc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(C)c1-c1ccc(Cl)cc1 409198810 LGCZQEIMSAORIW-FLFQWRMESA-N 400.975 5.359 0 40 HKAB O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1CCc1ccccc1 409214741 TZBLCZGMXBDDBE-OQKWZONESA-N 401.487 5.758 0 40 HKAB Cc1cc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)ccc1Cl 685939970 NNONZASZHXWDRS-QFIPXVFZSA-N 421.880 5.313 0 40 HKAB C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1 840476 PGSQIZMQCWKPQP-OSXLHZELSA-N 407.435 6.187 0 40 HKAB Cc1cccc2cc(CN(C(=O)Nc3ccccc3Cl)C3CCCCC3)c(=O)[nH]c12 1378161 ZFRVLTDHISNPEP-UHFFFAOYSA-N 423.944 5.857 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc(Cl)cc(Cl)c1 1880401 BHWFCLXNSXQGGY-UHFFFAOYSA-N 404.680 6.130 0 40 HKAB CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)[C@H]1CCCO1 1895338 MPNHWOUULXYWCX-HXUWFJFHSA-N 421.518 5.376 0 40 HKAB COc1ccc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1OC 2238827 AGOIEYKHCGLGOB-UHFFFAOYSA-N 416.868 5.306 0 40 HKAB CC(C)Oc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1c1ccc2c(c1)OCCO2 2643445 HINPXCWRFRVOMO-XMMPIXPASA-N 416.477 5.016 0 40 HKAB CCOc1ccc(-c2csc(NC(=O)CCc3ccccc3)c2C(=O)OC)cc1 2889643 MBXVADJBTSNRAY-UHFFFAOYSA-N 409.507 5.172 0 40 HKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccccc3Cl)oc12 2951374 HWBTVFDSIFPWND-NMWGTECJSA-N 411.870 5.036 0 40 HKAB O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1CSc1ccc(Cl)cc1 3133624 WXCOPLHVOXMSAF-UHFFFAOYSA-N 413.325 7.263 0 40 HKAB COc1ccc(NC(=O)CCN2c3ccccc3Sc3ccccc32)cc1Cl 3235332 STPWSVLTCSFNQV-UHFFFAOYSA-N 410.926 5.980 0 40 HKAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)c3cccc(C)c3C)n2)cc1 3409509 KIQNNKDZZVYUNZ-MRXNPFEDSA-N 408.523 5.173 0 40 HKAB CCc1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@H]2c2c[nH]c3ccccc23)cc1 3672757 FNPPGVQLLHAKEW-SANMLTNESA-N 408.505 5.658 0 40 HKAB CCC(C)(C)c1ccc(OCCCCNC[C@@H](O)C(F)(F)F)c(C(C)(C)CC)c1 4050527 NZYIKJKNVHYVNZ-HXUWFJFHSA-N 417.556 5.734 0 40 HKAB COc1ccc(-c2c(C)c3cc(OC(=O)c4ccccc4)ccc3oc2=O)cc1OC 4340725 ZVZNXUJNFMCNQA-UHFFFAOYSA-N 416.429 5.005 0 40 HKAB biogenic O=c1c2ccccc2nc(/C=C/c2ccccc2O)n1-c1c(Cl)cccc1Cl 4897654 AHCFMKCLELGDBH-OUKQBFOZSA-N 409.272 5.569 0 40 HKAB Cc1ccc(C(=O)[C@H](Sc2nnc(-c3ccoc3C)n2C)c2ccc(C)cc2)cc1 4947683 WNVPVDVTDWHVJJ-JOCHJYFZSA-N 417.534 5.717 0 40 HKAB C[C@@H]1CCCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(Cl)cc4)nn23)C1 4980494 AZMJJCGSHMPPEW-QGZVFWFLSA-N 402.929 5.953 0 40 HKAB Cc1ccccc1-c1nnc(N(C(=O)c2ccc(C(C)(C)C)cc2)C2CCCC2)s1 4982363 AJAKIYVDUIZOOV-UHFFFAOYSA-N 419.594 6.400 0 40 HKAB Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@@H]2c2ccsc2)c(C)c1 5451468 SJGFVRHSMGBTJU-QHCPKHFHSA-N 404.535 5.103 0 40 HKAB CCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)Cc2ccccc2)c2ccccc21 5485989 SLNSERRUCFDIAS-CPJSRVTESA-N 412.533 5.539 0 40 HKAB Cc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1C 5624156 RJANJACTARQRPV-UHFFFAOYSA-N 405.954 6.497 0 40 HKAB CCOc1cccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)c1 6355708 QLIMYMGKUGXJTQ-UHFFFAOYSA-N 408.457 6.299 0 40 HKAB CCc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S1 6570502 WAWROSCSARJZGL-MOSHPQCFSA-N 408.910 6.245 0 40 HKAB CCOc1cc(CNCc2ccccn2)cc(Cl)c1OCc1ccccc1Cl 6870233 UKMJHPNYOCOZDT-UHFFFAOYSA-N 417.336 5.656 0 40 HKAB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(F)c(Br)c3)C2=O)cc1 6922828 MOPGBKXVBPUFEL-CXUHLZMHSA-N 406.276 5.133 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN(C)Cc4ccccc4F)[nH]c(=O)c23)cc1 7004414 CQBRLENDBCNEKN-UHFFFAOYSA-N 407.514 5.040 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@@H](Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 7279334 HUBOQYXJZKJCSG-VWLOTQADSA-N 409.489 5.331 0 40 HKAB Cc1cccc(C)c1NC(=O)Cn1c(SCc2ccccc2)nc2ccccc21 7343896 YGTMUBOAARJVIL-UHFFFAOYSA-N 401.535 5.584 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 7782454 CUPIKGPOTOEARQ-UHFFFAOYSA-N 408.857 5.538 0 40 HKAB O=C(c1cccc(Br)c1)N1CCc2sccc2[C@@H]1c1cccs1 7947028 QRSWEQJLWRXMHW-QGZVFWFLSA-N 404.354 5.360 0 40 HKAB COc1cccc(Oc2c(-c3ccc(OCc4ccccc4F)cc3O)n[nH]c2C)c1 8973215 XUYZNSTWCYLBKM-UHFFFAOYSA-N 420.440 5.610 0 40 HKAB COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccccc1Cl)oc1ccccc12 9633400 JKDTUVCGTZEBOQ-ZDUSSCGKSA-N 423.852 5.432 0 40 HKAB O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccc(Cl)c(Cl)c1 12226151 UMFFIAQSFXQPJP-UHFFFAOYSA-N 417.214 5.613 0 40 HKAB Clc1ccc(-c2nnc3sc(-c4cnn(-c5ccccc5)c4)nn23)c(Cl)c1 12322635 OKWGCAJLYMINFZ-UHFFFAOYSA-N 413.293 5.012 0 40 HKAB CCc1ccc(-c2cs/c(=N\c3ccc(OC)cc3)n2Cc2ccccc2)cc1 12413447 SEFHWLLFAVHMNM-QPLCGJKRSA-N 400.547 6.068 0 40 HKAB CSc1cccc(NC(=O)Cc2csc(SCC(=O)c3ccccc3)n2)c1 12444173 MMWCITABZLVBND-UHFFFAOYSA-N 414.577 5.021 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 12970089 OTVYYCJLPLRNDU-UHFFFAOYSA-N 407.857 5.153 0 40 HKAB CC1(C)C[C@@]23Oc4ccccc4N2C(c2ccccc2)=C[C@H](c2ccccc2)[C@@H]3CO1 13510478 FVYWBKDBHKJWES-IWHLBADBSA-N 409.529 6.235 0 40 HKAB C[C@H]1C[C@@H](C)CN(c2cc(-c3ccccc3)nc3cc(-c4ccc(Cl)cc4)nn23)C1 13562724 YQJQWKJRHYIYIP-HDICACEKSA-N 416.956 6.199 0 40 HKAB CC[C@@H]1CN(Cc2ccccc2)Cc2cc3cccc(Cc4ccccc4)c3nc2O1 13563875 UOQCIPNRRTWTDY-AREMUKBSSA-N 408.545 5.999 0 40 HKAB CC1(C)C[C@]2(CCO1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 13645109 AVZYOQDMLQOKRW-NAKRPHOHSA-N 424.544 6.182 0 40 HKAB CC1C[C@H](C)N(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)[C@H](C)C1 18179485 AFUZUSPUDYOVQC-GOOCMWNKSA-N 416.447 5.064 0 40 HKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 20108544 VXFOOHFNOBHHTE-FQEVSTJZSA-N 421.512 5.414 0 40 HKAB Cc1ccccc1[C@H](NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 20450135 CAUXBQZWHLLPJJ-NBGIEHNGSA-N 401.550 5.966 0 40 HKAB CCc1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3n2)cc1 20610109 RHGXJIXSTSOBOL-UHFFFAOYSA-N 411.292 5.542 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1Cl 20610465 YYXFPMUXRNHRGH-UHFFFAOYSA-N 404.901 5.758 0 40 HKAB C[C@H]1CC(=O)c2c(Nc3cc(Cl)cc(Cl)c3)nn(-c3ccc(F)cc3)c2C1 20796640 WUBRMXVQXQJSHE-LLVKDONJSA-N 404.272 5.827 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1ccc(Cl)cc1 22072332 IZCWSQUZSWUBOD-UHFFFAOYSA-N 402.679 5.493 0 40 HKAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 23011027 UVARAOCQKKHQMC-UHFFFAOYSA-N 400.265 5.890 0 40 HKAB COc1cc2c(cc1NC(=O)c1cccc(Nc3ncccn3)c1)oc1ccccc12 24762341 FZDZHUUYPINBSR-UHFFFAOYSA-N 410.433 5.381 0 40 HKAB Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)ccc3c2C)N2CCCCCC2)cc1 28287588 XIRJHQQMUKCETD-HSZRJFAPSA-N 404.554 5.705 0 40 HKAB O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)C(c1ccccc1)c1ccccc1 28305895 ZUGGYGMBGRBBCZ-UHFFFAOYSA-N 419.887 5.495 0 40 HKAB O=C(Nc1nc(CN2CCCC2)cs1)c1ccc(-c2ccc(Cl)cc2)s1 32978592 CTEYCTOSOOYRHY-UHFFFAOYSA-N 403.960 5.373 0 40 HKAB CCOc1ccc(NCc2cc(Br)cc(Br)c2OC)cc1 35014447 OSFFKCDRVDCRFN-UHFFFAOYSA-N 415.125 5.231 0 40 HKAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cc(-c2cccc(F)c2)no1 36760126 PNRJKTYYSJCMOH-UHFFFAOYSA-N 401.369 5.135 0 40 HKAB Cc1cc(C)c(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c(C)c1 38856109 PUJCKLOGSBSUIT-UHFFFAOYSA-N 415.375 5.225 0 40 HKAB CC(C)n1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cc2ccccc2o1 39753435 SOWPQJAGJDHZOQ-UHFFFAOYSA-N 410.474 5.142 0 40 HKAB CN(Cc1ccc2ccccc2c1)C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cc1 40058697 BTNLRQHJJXESFP-UHFFFAOYSA-N 404.510 5.388 0 40 HKAB O=C(Nc1ccc(-c2nnco2)cc1)C1(c2cccc(C(F)(F)F)c2)CCCC1 44575648 FUWOPMBNGJQTGI-UHFFFAOYSA-N 401.388 5.206 0 40 HKAB CCc1ccc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1 57487232 UQYALPKHORWPFE-UHFFFAOYSA-N 406.873 5.060 0 40 HKAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)cc1 67258513 ORPONUOPBRGLSS-UHFFFAOYSA-N 418.949 6.034 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(C)ccc2F)cc1 67297762 CEZOZMHAZFWPEA-PNHLSOANSA-N 402.425 5.374 0 40 HKAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(Cl)cc3C)oc12 67299110 KSHVCMGYQOQOSE-RWEWTDSWSA-N 422.868 5.159 0 40 HKAB CC(=O)Nc1ccc(CN2CCC[C@H]2c2cccc(Cc3cccc(F)c3)n2)cc1 72358113 FJRZKZHSXZHSAK-VWLOTQADSA-N 403.501 5.107 0 40 HKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C3CCCC3)CC2)on1 100743811 OIZJKTLLYPJKKZ-HDICACEKSA-N 410.562 5.144 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1[C@H]1C=C(c2ccccc2)Nc2ncnn21 101088280 UOVCYLZTIQPEIZ-GOSISDBHSA-N 423.307 5.135 0 40 HKAB CCCCO[C@]12N=C(N)S[C@H]1C[C@H]1[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]12C 122807732 RSIJHRRFYQHUQH-OSTVDBKOSA-N 404.664 5.972 0 40 HKAB Cc1ccc(C2(C(=O)Nc3cc(C)c(OCc4ccccc4)c(C)c3)CCCC2)cc1 225514505 AJHIINUZTTWOOJ-UHFFFAOYSA-N 413.561 6.641 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)c1 225680994 XMCBTIWPZMBDHW-INIZCTEOSA-N 423.981 5.728 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C(=O)OC 225798178 ZIHOYEDUTZCISD-QGZVFWFLSA-N 407.551 5.066 0 40 HKAB Cc1ccccc1OCC(=O)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257240293 HSWVGWXFTKSFGF-LJQANCHMSA-N 424.928 5.012 0 40 HKAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1Cl 409051912 DBKQGTATTHHTMS-UHFFFAOYSA-N 412.961 5.437 0 40 HKAB O=C1S/C(=C/c2ccc(-c3cccc(F)c3)o2)C(=O)N1CCCc1ccccc1 409122909 CHPKXAVINRTUFA-RCCKNPSSSA-N 407.466 5.755 0 40 HKAB O=C(COc1ccc(CNc2ccccc2Cl)cc1Cl)Nc1ccccc1 409263098 LOOCIMLACFKKGD-UHFFFAOYSA-N 401.293 5.623 0 40 HKAB COc1ccc(Br)c(C(=O)N[C@H](C)Cc2csc3ccccc23)c1 575621735 SEDJRIBPDOYAOF-GFCCVEGCSA-N 404.329 5.033 0 40 HKAB CC(C)CCCC(=O)[C@@H]1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1 606451967 VEAJFPQMQJBQSR-NRFANRHFSA-N 407.901 5.380 0 40 HKAB COC(=O)C(Cc1ccc(C(C)(C)C)cc1)(Cc1ccc(C(C)(C)C)cc1)C(=O)OC 725327918 XELWRJGLAWLAEW-UHFFFAOYSA-N 424.581 5.399 0 40 HKAB Cc1ccc(C)c(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1 626551 HDBFDQZZCOHNJJ-GOSISDBHSA-N 413.348 6.191 0 40 HKAB Cc1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3c(Cl)cccc3Cl)sc2n1 803926 GNZIIVKIKNCEKR-UHFFFAOYSA-N 420.243 5.765 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(C)cc3)C3CCCC3)cc2c1 1360945 HTJURYOSGJFZPC-UHFFFAOYSA-N 403.526 5.376 0 40 HKAB O=C(Oc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1)c1ccc(Cl)cc1 1780712 LFWNEBBNOCGMLA-UHFFFAOYSA-N 411.240 5.986 0 40 HKAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)c3ccc(Cl)cc3)ccc12 1893446 DPNNPKQTIZBDLK-UHFFFAOYSA-N 418.876 5.607 0 40 HKAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)Nc1cccc(Cl)c1 1960765 FGFLYNLZELRPTK-UHFFFAOYSA-N 405.837 5.131 0 40 HKAB biogenic CC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)cc1 2069749 WGPFEBVQJWQJHP-UHFFFAOYSA-N 424.903 6.281 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)sc2c1 2084174 UJCDGGIUSVVJNC-UHFFFAOYSA-N 419.358 6.892 0 40 HKAB CCc1ccc([C@@H]2N(c3ccc(Cl)cc3)N=C(C(C)=O)N2c2ccccc2)cc1 2177853 QCFAFXRZLXUSCW-DEOSSOPVSA-N 403.913 5.830 0 40 HKAB CCOc1ccc(-c2nnc(Nc3cccc(Br)c3)c3ccccc23)cc1 2213665 ONCPYVAWFKDZOZ-UHFFFAOYSA-N 420.310 6.202 0 40 HKAB CCCCOc1ccc(-n2c(-c3cccs3)nc3nc4ccccc4nc32)cc1 2247623 WSMXOEHLOYKQCN-UHFFFAOYSA-N 400.507 5.876 0 40 HKAB CC(C)[C@H](CCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2)c1ccco1 2250926 YOUAOMLJQBSGFO-IBGZPJMESA-N 422.594 6.554 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 2303681 QFEVBOZVRLRBNP-UHFFFAOYSA-N 400.478 5.810 0 40 HKAB C[C@@H]1CCCN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C1 2715107 AZBZRLJYOGHWGK-QGZVFWFLSA-N 402.929 5.977 0 40 HKAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)C1c2ccccc2Oc2ccccc21 2739758 JOHLKXSPMYPXPP-UHFFFAOYSA-N 402.450 5.826 0 40 HKAB CC(C)c1ccc(Nc2nnc(SCC(=O)NC3CCCCCCC3)s2)cc1 3251802 KXQKZYGFQVVDSZ-UHFFFAOYSA-N 418.632 5.726 0 40 HKAB CC(=O)c1ccc(OC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)cc1 3364188 GPVYRNCUUCFQDB-UHFFFAOYSA-N 402.490 5.985 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H](Sc1ncnc2sccc12)c1ccccc1 3430040 AHFZFASDLKPOBJ-LJQANCHMSA-N 421.547 5.480 0 40 HKAB O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc(C(F)(F)F)cc1 3530015 UPCKNZMOJHTMCC-UHFFFAOYSA-N 402.850 5.699 0 40 HKAB COc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 4413860 ARQQKLUXCWPDDY-UHFFFAOYSA-N 416.502 5.748 0 40 HKAB FC(F)(F)c1nc(Nc2ccc3ccccc3c2)sc1-c1cccc(Cl)c1 4455989 WAPGPZQZFMEMTF-UHFFFAOYSA-N 404.844 7.379 0 40 HKAB Cc1ccc(C(C)C)cc1C(=O)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 4599889 HIWGLZOVEIFSDN-MHZLTWQESA-N 413.517 5.126 0 40 HKAB CCC[C@@H]1[C@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@]1(O)CCC 4652821 FFNLFWCXKWZQKH-OUFXZLDQSA-N 420.424 6.963 0 40 HKAB CCCC(=O)Nc1ccc2nc(SCc3ccc(Cl)c(Cl)c3)sc2c1 4670968 CDAYEONPOOGWIA-UHFFFAOYSA-N 411.379 6.634 0 40 HKAB CCCC(=O)n1nc(NCc2ccc(CC)cc2)nc1NCc1ccc(CC)cc1 4703242 KDRKTAWGEBGYOM-UHFFFAOYSA-N 405.546 5.067 0 40 HKAB CC(C)(C)c1ccc(CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1 4895286 IEQQYKKMRWFQRN-UHFFFAOYSA-N 416.491 5.585 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)C[C@H](C)CC4)c(C)c1 5214460 QCNCIVKRVKOLDC-MRXNPFEDSA-N 419.546 6.128 0 40 HKAB Cc1cccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)c1 5458499 DUTDQQWIKOWTKM-IFMALSPDSA-N 418.338 6.254 0 40 HKAB Cc1ccc2[nH]c(C3CCN(CC(=O)N(c4ccccc4)c4ccccc4)CC3)nc2c1 5626050 OKPHGLOVVIPOCR-UHFFFAOYSA-N 424.548 5.416 0 40 HKAB CC[C@@H](OC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1)C(=O)c1ccccc1 5875761 LFBKGGPHRKSGNC-JOCHJYFZSA-N 401.462 5.066 0 40 HKAB CCCOc1c(Cl)cc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1OCC 6138773 PSASYQFTWMVAOQ-UHFFFAOYSA-N 411.281 5.221 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2C)cc1C 6235039 RDMVZHTVBUEFKS-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccco2)n(Cc2ccco2)c1C 6665289 QZWKNSOIEKQERT-UHFFFAOYSA-N 400.438 5.135 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 7080073 DWXWPRQOFWIBDV-KRWDZBQOSA-N 421.924 6.102 0 40 HKAB O=C(/C=C/c1nc2ccccc2s1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 7719049 CVHYGGHOCIMCMW-VAWYXSNFSA-N 406.507 5.010 0 40 HKAB CSc1ccc([C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2cccc(F)c2)cc1 8783292 NJOHJDWOSSPAKV-XMMPIXPASA-N 421.581 7.271 0 40 HKAB Cc1ccc(-c2nnc([C@H](C)Sc3nnc(Cc4cccs4)n3C3CC3)o2)cc1 9815665 BNUMZYJNMBTXLN-AWEZNQCLSA-N 423.567 5.477 0 40 HKAB CCc1ccc2oc(-c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3Cl)nc2c1 10040094 UBKWQDOXWOPTLD-UHFFFAOYSA-N 420.852 5.692 0 40 HKAB COc1ccc(Cn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1 12378331 UJLRJOJUHFTLLA-UHFFFAOYSA-N 400.522 5.970 0 40 HKAB COc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(Br)cc32)cc1 12485273 DAHVLCIPVCQZQR-UHFFFAOYSA-N 424.273 5.031 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 12599659 RLBIDTCWEJEYCH-FOVJLYNBSA-N 408.538 5.443 0 40 HKAB O=C(NCc1ccc(Cn2cccn2)cc1)[C@@H](Sc1ccccc1)c1ccccc1 12626168 VPWYMEAMCJVEMD-DEOSSOPVSA-N 413.546 5.081 0 40 HKAB O=C(CSc1nnc(C2CC2)n1Cc1ccco1)c1ccc(Cl)c(Cl)c1 12779516 SSXADXIFIMSGTE-UHFFFAOYSA-N 408.310 5.079 0 40 HKAB C[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccc(Cl)cc1Cl 13709802 WXXONCIDSJYINU-LBPRGKRZSA-N 418.773 5.464 0 40 HKAB Cc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)C(=O)O2)cc1 13924051 XSQQFPZTDIFIQM-STZFKDTASA-N 417.848 5.212 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 14153612 ITGCIZNOHHUBQT-UHFFFAOYSA-N 422.550 5.227 0 40 HKAB COc1ccc(C(=O)C[C@@H](Sc2cccc(Cl)c2Cl)c2ccccc2)cc1 16216224 DZNTZOPJZLZLGS-OAQYLSRUSA-N 417.357 7.108 0 40 HKAB CCCCCC(=O)NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 17091294 KGFCXSSUBRWDAS-UHFFFAOYSA-N 417.987 6.010 0 40 HKAB COc1cccc(CC(=O)N2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)c1 19564334 OGICQJJKLPIYRF-QFIPXVFZSA-N 408.473 5.176 0 40 HKAB Cc1ccc([C@@H](c2c(-c3ccccc3)n(O)c3ccccc23)N2CCN(C)CC2)cc1 20192837 CFIZBVFZOMLBEZ-SANMLTNESA-N 411.549 5.191 0 40 HKAB CC(=O)N(c1nc(CSc2nc3ccccc3[nH]2)cs1)c1c(C)cc(C)cc1C 23551828 LUUDMUFYTWVOKN-UHFFFAOYSA-N 422.579 5.922 0 40 HKAB Cc1ccc(OCC(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCCCC2)cc1C 28291889 PTZFSASKSGZEAE-RUZDIDTESA-N 408.586 5.149 0 40 HKAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)CC1 30938602 MMPOLVZSMPURPE-UHFFFAOYSA-N 405.311 5.072 0 40 HKAB O=c1cc(-c2ccccc2)nc2n(Cc3cccc(C(F)(F)F)c3)c3ccccc3n12 40485122 UBKDIBQKYKWXOJ-UHFFFAOYSA-N 419.406 5.383 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 44839933 HGODTOGYAUUFER-OAHLLOKOSA-N 408.272 6.522 0 40 HKAB Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cccc1-c1nc2ncccc2o1 59477555 BLSLXGWKRLXOTK-FYWRMAATSA-N 421.456 6.110 0 40 HKAB CC(C)OCCCn1c(SCc2ccc(F)cc2Cl)nc2ccccc2c1=O 67259136 YHIRBZAEYKSZNL-UHFFFAOYSA-N 420.937 5.296 0 40 HKAB CCOc1ccc(OCC)c(NC(=S)Nc2cccc(OC(F)(F)F)c2)c1 71326263 OJKXRIQAPQGWIU-UHFFFAOYSA-N 400.422 5.192 0 40 HKAB CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72214647 LDEIWGAYUVFAHM-QGZVFWFLSA-N 405.539 5.305 0 40 HKAB C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)C(=O)c1nc(N2CCCCC2)ncc1Cl 72310291 RHZGKZDHJGECGX-CABCVRRESA-N 421.372 5.038 0 40 HKAB O=C(O)/C=C/c1cc(Br)c(-c2ccc(Br)cc2Cl)o1 73638303 LJYBOFFEZUUIHF-DUXPYHPUSA-N 406.457 5.223 0 40 HKAB FC(F)Oc1cc(Cl)ccc1C1=C[C@@H](c2ccc(Cl)cc2)n2ncnc2N1 102799955 CZCATTPEOLNWAI-HNNXBMFYSA-N 409.223 5.242 0 40 HKAB CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccc(C)cc2)C1=O 106702410 NKLQALCZVFZHSX-HMAPJEAMSA-N 403.503 5.783 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1C1CCCCC1 223106460 DYFHKGPZHBQMHA-PKTZIBPZSA-N 402.567 5.178 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1Cc1ccccc1 223378848 OZOKMXMFIVMYBV-PKTZIBPZSA-N 402.567 5.171 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223916917 AAFSFLQKUGFAOC-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB C[C@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1 225281148 JJAGHDISWTWVQC-SFHVURJKSA-N 416.590 6.263 0 40 HKAB CCOCCOc1ncc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C 225870380 HTAQBNYADMHIFV-UHFFFAOYSA-N 416.949 5.299 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCC2)c2ccccc12 225945162 PMABFZUAZZTPLF-UHFFFAOYSA-N 417.505 5.806 0 40 HKAB COC(=O)CCc1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 226342266 NBULEGGUOXGFKB-UHFFFAOYSA-N 418.114 5.441 0 40 HKAB O=C(NCCC1=CCCCC1)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 257210009 BSTFUINAMGSDFN-UHFFFAOYSA-N 421.556 5.839 0 40 HKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 408573900 DYSUVQJIMFOJCC-MRXNPFEDSA-N 416.974 5.476 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408638081 BULLPSMCPBTIIT-JTQLQIEISA-N 417.214 5.004 0 40 HKAB COc1ccc2c(Cl)c(C(=O)Nc3ccc(Cl)cc3Cl)sc2c1Cl 408968926 CXLFZYHUDHMTPN-UHFFFAOYSA-N 421.132 6.776 0 40 HKAB CC(C)N1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 409019868 ZOIVXMRAURDOGJ-RGVLZGJSSA-N 410.926 5.788 0 40 HKAB CCOC(=O)c1sc(NC(=O)c2ccccc2C)c(C(=O)Nc2ccccc2)c1C 409058936 ZTBDXBOVZMFWSK-UHFFFAOYSA-N 422.506 5.046 0 40 HKAB CCCOc1c(Br)cc(CNc2cccc(Cl)c2C)cc1OCC 409110933 AFJKTDWUNJAJQJ-UHFFFAOYSA-N 412.755 6.211 0 40 HKAB CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)c2ccccc21 409113071 NJLCQHKKSAJZFQ-RGEXLXHISA-N 408.295 6.006 0 40 HKAB Brc1ccc(OCc2cccc3ccccc23)c(CNc2ccccc2)c1 409120707 VVDINWZNBMJFCS-UHFFFAOYSA-N 418.334 6.793 0 40 HKAB CCCOc1c(I)cc(CNc2ccccc2C)cc1OC 409121243 UBCZEXRSERTTSH-UHFFFAOYSA-N 411.283 5.009 0 40 HKAB COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Br 409129537 GKRJKWOEPOVINV-MHWRWJLKSA-N 410.333 5.074 0 40 HKAB CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccc3ncccc3c2)C1 1848351860 GAKBHKGSKFTSLV-LJQANCHMSA-N 415.562 5.141 0 40 HKAB C[C@@H](Sc1nnc2c(n1)[C@]1(C)CC[C@H]2C1(C)C)C(=O)Nc1cccc2ccccc12 1224906 SSWREBXQUUEKHH-VNAOBRGMSA-N 418.566 5.319 0 40 HKAB COC(=O)c1sccc1Oc1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 1396550 OZPAUCDWPALWJM-UHFFFAOYSA-N 422.306 5.308 0 40 HKAB Cc1cccc(OCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c1 1454263 DQXIRCFKLYLYJS-UHFFFAOYSA-N 407.322 5.367 0 40 HKAB CCCN(CCC)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 1888780 YQKNRWXBBKWNPX-UHFFFAOYSA-N 402.567 6.022 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4oc5ccc(C)cc5c4C)cc3)sc2c1 2137987 ONNRYYGHVHRWBR-UHFFFAOYSA-N 412.514 6.887 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc3nc4ccccc4nc3n2C2CCCCC2)cc1 2400522 XAYROFNHOVTLSK-UHFFFAOYSA-N 420.538 5.199 0 40 HKAB C[C@@H](Sc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)c1ccccc1 2720006 ZURCENBCKOPIFA-CYBMUJFWSA-N 400.956 5.387 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1cc(Cl)ccc1Cl 3026854 GCUZVEYKNJEHQO-UHFFFAOYSA-N 417.679 6.707 0 40 HKAB Clc1ccc(CSc2nnc(-c3cc4cc5ccccc5nc4s3)o2)cc1 4053817 GBTXELKXDPOLGZ-UHFFFAOYSA-N 409.923 6.445 0 40 HKAB O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)cc1)NCc1ccc(Cl)cc1 4085285 LCYPDTNNLQMRTK-MDWZMJQESA-N 412.316 5.902 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 4109862 QKAZXYBZPADNDF-IZZDOVSWSA-N 408.851 6.001 0 40 HKAB CC1(C)COC(c2cc3ccc2CCc2ccc(cc2Sc2ccccc2)CC3)=N1 4114332 UHADJEVMUVDTJG-UHFFFAOYSA-N 413.586 6.277 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C(=O)OC)cc2)N3)C1 4553672 FFUOGLCWHCGOJY-KXBFYZLASA-N 412.555 5.505 0 40 HKAB Cc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O 4649395 CZXVQJVCWMCNKX-ZKBLBJRCSA-N 417.508 5.419 0 40 HKAB C[C@H](NC(=O)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2)c1ccccc1 4661113 NHDBOUACFMYXBR-WNSVSXDMSA-N 422.572 6.474 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](N(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 4683307 WHZUCKVXGABTPN-AXYOXNHISA-N 413.734 7.958 0 40 HKAB COc1ccc(C(=O)N2c3ccccc3N=C(c3ccccc3)[C@@H]2c2ccccc2)cc1 4746166 ZARRGFOODVRLPG-MHZLTWQESA-N 418.496 6.218 0 40 HKAB COc1cc([C@H]2O[C@H]3CCCC[C@H]3c3sccc32)ccc1OCc1ccccc1 4784299 HKUBQVLWDXNOTL-NHCICSSKSA-N 406.547 6.482 0 40 HKAB Cc1ccc(NC(=O)NC[C@H]2C[C@H](NC(=O)Nc3ccc(C)cc3C)C2(C)C)c(C)c1 5744649 COGJRLXAOHEOAO-KNQAVFIVSA-N 422.573 5.278 0 40 HKAB CCCC(=O)c1c(-c2ccc(F)cc2)c2c3n(c(-c4ccc(F)cc4)cn13)CCCC2 6263909 UMLLGCQOWLXCFL-UHFFFAOYSA-N 418.487 6.672 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1 6449744 AVOUCGRFAZZRHF-KRWDZBQOSA-N 414.505 6.659 0 40 HKAB Cc1ccc(-c2csc3ncnc(S[C@H](C)C(=O)NCc4ccco4)c23)cc1 7234112 LORVNCPEXXZLPB-CQSZACIVSA-N 409.536 5.057 0 40 HKAB Clc1ccc(Cn2c(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1Cl 8914702 SXVQPGBAQBRVGX-UHFFFAOYSA-N 422.142 7.365 0 40 HKAB CCCN(CCC)c1nc(Nc2cccc(Cl)c2)c2cnn(-c3ccccc3)c2n1 9622623 AJMUBUHEZKZPNG-UHFFFAOYSA-N 420.948 5.839 0 40 HKAB Brc1ccc(NC2CCN(Cc3cccc(Br)c3)CC2)cc1 10060499 SXOVMGPGDPZANV-UHFFFAOYSA-N 424.180 5.288 0 40 HKAB O=S(=O)(Nc1ccccc1-c1nc2ccccc2s1)c1cc(F)cc(F)c1 12375700 NNMORLXNWKKDOW-UHFFFAOYSA-N 402.447 5.042 0 40 HKAB CC(C)Cc1ccc([C@H](C)C(=O)NCCCn2c3ccccc3c3ccccc32)cc1 12401510 KQHRAVXKHPQOHI-NRFANRHFSA-N 412.577 6.303 0 40 HKAB Cc1ccc(-c2ccnc(-c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)n2)cc1 12955212 ZLHWBHJOHQAXMG-UHFFFAOYSA-N 421.327 7.005 0 40 HKAB Cc1ccc(-c2nc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cs2)cc1 14242435 QOOSBPKLBRSINX-GOSISDBHSA-N 405.548 5.706 0 40 HKAB Clc1ccc(-c2csc3ncnc(Sc4nc5ccccc5s4)c23)cc1 14356940 WFDAFTIMTCEZMB-UHFFFAOYSA-N 411.964 6.773 0 40 HKAB O=C(Nc1ccccc1)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 15348632 DYCFDWMXCLUHEW-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB COc1c(C(=O)Nc2ccc3ccccc3c2)cc2ccccc2c1Br 17083318 WJOVLBFGEKUPAX-UHFFFAOYSA-N 406.279 6.016 0 40 HKAB O=C(NC(=S)Nc1ccccc1OC(F)F)c1ccc(-c2cccc(Cl)c2)o1 17093290 XJTLXOVXWHWWTL-UHFFFAOYSA-N 422.840 5.328 0 40 HKAB Fc1ccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3-c2ccccc2)cc1 17178951 LHQQZEMVEPADGK-UHFFFAOYSA-N 424.483 5.353 0 40 HKAB CSc1ncccc1C(=O)N(C)Cc1ccc(-c2ccc(Br)cc2)o1 18107183 NULXREHUVDDSPU-UHFFFAOYSA-N 417.328 5.098 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)N2CC[C@@H](C)Sc3ccccc32)c1 21901360 YGZRCUFHTUKNTC-OAHLLOKOSA-N 408.523 5.402 0 40 HKAB CC1CCN([C@H](CNC(=O)c2ccccc2SC(F)F)c2cccs2)CC1 22681573 XCNOZYCBZSEIMC-MRXNPFEDSA-N 410.555 5.266 0 40 HKAB O=C(c1cc2c(nc3sccn32)s1)N1CCC(c2nc3ccccc3s2)CC1 23500082 WYSMUOKZTZEBBJ-UHFFFAOYSA-N 424.576 5.240 0 40 HKAB Cc1c(C(=O)NC[C@H](c2cccs2)N2CCCCCC2)oc2ccc(F)cc12 28286720 NXGWCCAYMXCFLG-GOSISDBHSA-N 400.519 5.289 0 40 HKAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(OCc3ccccn3)cc2)cc1 40079778 XMJUUSHXTAQRRI-ZLWHBRAQSA-N 414.505 5.046 0 40 HKAB O=C(NCCCc1ccc(Cl)cc1)c1ccc(CN2CCCc3ccccc32)cc1 44900485 IDQRHKMLQJGULL-UHFFFAOYSA-N 418.968 5.655 0 40 HKAB CCc1ccc(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)cc1 57486343 WFYPTARCAPBMNU-UHFFFAOYSA-N 416.590 6.729 0 40 HKAB COc1ccc2oc(C)c(C(=O)Nc3ccc(NC(=O)N4CCCCCC4)cc3)c2c1 70008153 UMYUEVJTBVPUMZ-UHFFFAOYSA-N 421.497 5.410 0 40 HKAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1)C1CC1 72215419 TYBSGOQPOYJZDF-OAQYLSRUSA-N 421.541 5.353 0 40 HKAB Cc1ccc([C@@H](c2ccccc2C)N2CCN(C(=O)Nc3ccccc3C)CC2)cc1 72265287 NDLMKWXDVOPKLC-SANMLTNESA-N 413.565 5.551 0 40 HKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)Nc1ccc(O)cc1C 83434038 WUZWFRWVRHLXHZ-JWDLLYTKSA-N 409.614 7.785 0 40 HKAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCc5ccccc5)cc34)co2)cc1 96154319 LTRQNKGVESZWQK-UHFFFAOYSA-N 409.445 5.388 0 40 HKAB c1ccc(-c2cs/c(=N/C3CCCCC3)n2CCc2c[nH]c3ccccc23)cc1 101379463 LHOZISAKCYWVLG-IMVLJIQESA-N 401.579 6.174 0 40 HKAB CSc1ccc([C@@H]2C3=C(O)C[C@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc1 102719265 ZBZKCFFLCDCYOC-ZHRRBRCNSA-N 418.518 6.018 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1F 107042373 PUBPDNWCUJBKBA-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 216493702 MPZZGACQLRLHAK-SBUREZEXSA-N 420.484 5.113 0 40 HKAB CC(C)Oc1cccc(CNC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 219841934 CQUDQPZLUTYFEF-UHFFFAOYSA-N 409.913 5.636 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 223029583 LMBZICSLFBCVDE-FGZHOGPDSA-N 403.950 5.718 0 40 HKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C)cc3)c2)cc1Cl 224124905 NRZDCIKCOJBOIP-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)COc1ccc(Cl)cc1Cl 224340580 QRYBBWALNFSFMD-UHFFFAOYSA-N 418.280 5.210 0 40 HKAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 224616083 MIFXNYKMBUFWDA-XZOQPEGZSA-N 413.502 5.224 0 40 HKAB CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OC)c2)CCCCCC1 225852459 HMJYZZMDZOQNRT-QGZVFWFLSA-N 405.535 5.109 0 40 HKAB Cc1cc(-c2nc3cc(-n4cccc4)ccc3o2)ccc1I 226248152 VXQFNRVKWAFJNT-UHFFFAOYSA-N 400.219 5.199 0 40 HKAB CN(Cc1ccccc1)[C@@H]1CCC[C@@H](Nc2cccc(Oc3ccccc3)c2)[C@@H]1O 257275353 NOZDMJIQBGCZMK-CYXNTTPDSA-N 402.538 5.305 0 40 HKAB CCc1s/c(=N\C(=O)c2cccc(Br)c2)n(CC)c1-c1ccccc1 408559640 AMYBXODSMFCWGB-XDOYNYLZSA-N 415.356 5.303 0 40 HKAB COc1ccccc1/C=C1\S[C](Nc2ccccc2)N([C@H]2CCCC[C@H]2C)C1=O 408803562 QNPWAGRBPLSHRU-PPMVFUOKSA-N 407.559 5.749 0 40 HKAB Cc1cccc(Cn2cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c3ccccc32)c1 408819727 SRCRKDDBPKMIPU-IWIPYMOSSA-N 424.525 6.239 0 40 HKAB O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)NC(=S)N1C1CCCCC1 409076496 AEQNSCCKCLOPDC-WJDWOHSUSA-N 421.349 5.644 0 40 HKAB COC(=O)c1c(NC(=O)COc2cc(C)ccc2C(C)C)sc2c1CC[C@H](C)C2 729924 IXPOZTNDOYLBAE-HNNXBMFYSA-N 415.555 5.109 0 40 HKAB CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2cccc(Cl)c2)c2ccccc21 832673 TVDYOGKGVPLVES-MZNJEOGPSA-N 418.924 5.873 0 40 HKAB COc1ccc(C(=O)N(Cc2ccco2)c2nc(-c3ccc(F)cc3)cs2)cc1 932855 WBZIKHMVUVCSPV-UHFFFAOYSA-N 408.454 5.398 0 40 HKAB COc1cc(C(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cc(OC)c1OC 937364 IQCMRZIQWFRVGT-UHFFFAOYSA-N 418.902 5.050 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 976234 JQPUEQKYGCSKNC-UHFFFAOYSA-N 407.326 5.003 0 40 HKAB CC(=O)Oc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 1182692 CFZACZJIDBFWQM-UHFFFAOYSA-N 402.475 5.449 0 40 HKAB O=P(NC(=S)Nc1ccc(Cl)cn1)(Oc1ccccc1)Oc1ccccc1 1751629 YYCRMBRUTHSPQF-UHFFFAOYSA-N 419.830 5.288 0 40 HKAB CCOC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2)sc2c1CC[C@@H](C)C2 1773376 SNCVCHLUHIOTRH-MRXNPFEDSA-N 415.555 5.156 0 40 HKAB Cc1ccc2nc(N(Cc3ccccc3)c3ccccc3)nc(-c3ccccc3)c2c1 1817052 FZBBYPQLDMSJHI-UHFFFAOYSA-N 401.513 6.944 0 40 HKAB COc1ccc([C@@H](CCNCc2ccc(OC(C)C)cc2)c2ccccc2OC)cc1 1896460 IDFLVSYGEYZZGR-RUZDIDTESA-N 419.565 5.803 0 40 HKAB biogenic COc1ccc(C(=O)Oc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1Cl 2061956 HFXWLGYKCPNBTE-UHFFFAOYSA-N 409.894 6.153 0 40 HKAB CCOC(=O)c1c(Nc2ccccc2)sc(C(=O)c2cccc3ccccc23)c1C 2083439 QIHUOMVSXBOSCT-UHFFFAOYSA-N 415.514 6.361 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)CCc2ccccc2)cc1 2721196 JFALTAOIACGIHU-UHFFFAOYSA-N 414.574 5.984 0 40 HKAB Cc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=N3)cc1 3189638 ROHLEPAAHCAKJO-RPBOFIJWSA-N 406.489 5.108 0 40 HKAB C[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@H](c1cccs1)N1CCCC1 3244369 FDXSPUBLHJZPBW-WZONZLPQSA-N 406.551 5.496 0 40 HKAB CCc1cccc(C)c1NC(=O)COC(=O)[C@@H](Sc1ccccc1)c1ccccc1 3273347 VKQXSDINHWFODX-DEOSSOPVSA-N 419.546 5.573 0 40 HKAB C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1ccccc1-c1ccccc1 3408997 GQYWINHHOYHDQS-HNNXBMFYSA-N 402.475 5.147 0 40 HKAB O=C(OCc1ccccc1)N1CCC[C@@H]1/C=C/COc1ccc(Cl)c(Cl)c1 4108547 MTIRCYAEUCIIKR-HFTQHKIXSA-N 406.309 5.730 0 40 HKAB Cc1ccc(C(=O)[C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN23)cc1 4309650 HYFDAIRVJVJFRB-URXFXBBRSA-N 402.881 5.401 0 40 HKAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 4525289 VWUJTPMAQTUBPO-RTBURBONSA-N 416.521 5.260 0 40 HKAB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4)cc2)N3)C1 4544844 QWDNZSQKWHXJBU-OYHNWAKOSA-N 404.535 5.306 0 40 HKAB Fc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccncc2)cc1 4675373 ODYKSXFVGCHQTD-UHFFFAOYSA-N 412.493 5.914 0 40 HKAB Cc1c(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)oc2ccccc12 4699662 FXQDXPCBSJANSL-UHFFFAOYSA-N 402.837 6.455 0 40 HKAB COCCn1c(SCc2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 5017012 CHOCNJBITSFMEJ-UHFFFAOYSA-N 416.959 5.147 0 40 HKAB CCN(CC)P(=Nc1ccccc1)(c1nc2ccccc2n1CC)N(CC)CC 5072606 HLNMEJBQTSMPLF-UHFFFAOYSA-N 411.534 5.728 0 40 HKAB CC(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(C)cc3s2)cc1 5141925 YSRWQZLOSBBHFZ-UHFFFAOYSA-N 401.491 5.049 0 40 HKAB Cc1cccc(-c2c(NC(=O)c3ccc(C(C)(C)C)cc3)n(C)c3ccccc3c2=O)c1 5305687 FCOMKXCDHUTSFL-UHFFFAOYSA-N 424.544 6.064 0 40 HKAB C[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1ccccc1-c1ccccc1 5365750 LSSZDSMFVTZYDW-QGZVFWFLSA-N 405.519 5.634 0 40 HKAB Cc1nn2c(N3CCN(C4CCCC4)CC3)cc(C(C)(C)C)nc2c1-c1ccccc1 5560914 NPKJZZBECQUUNU-UHFFFAOYSA-N 417.601 5.067 0 40 HKAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)N1c2ccccc2Sc2ccccc21 5786020 JZTPSRBKUPHDBY-UHFFFAOYSA-N 419.546 5.576 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3)ccc2Cl)cc1 6213930 XHSWZDAJZXLTFY-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1nc2ccccc2nc1SCC(=O)N1c2ccccc2Sc2ccccc21 6456007 JQCCKOGSWAAJQI-UHFFFAOYSA-N 415.543 5.860 0 40 HKAB CCCCCC1CCC(c2ccc(-c3nnc(-c4ccc(Cl)cc4)o3)cc2)CC1 6471877 CFPBWUPBYZIVNA-UHFFFAOYSA-N 408.973 7.911 0 40 HKAB COc1ccc(CNCc2ccc(OCc3c(F)cccc3Cl)c(OC)c2)cc1 7538583 GKNSOFRZKVURQK-UHFFFAOYSA-N 415.892 5.365 0 40 HKAB Cc1ccc(SCCN2CN(Cc3ccccc3)c3nc4ccccc4n3C2)cc1 7699103 GYTOFVQXLLZYBU-UHFFFAOYSA-N 414.578 5.374 0 40 HKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3C)c2)c1 8289464 AXVHXVFENYHPKM-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc3ccccc23)cc1 9423508 LFPWNBZCTBCMIP-RUZDIDTESA-N 407.473 5.569 0 40 HKAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1Br 9511885 MTPJLRJCZCTJSX-FQEVSTJZSA-N 420.310 5.039 0 40 HKAB CCc1cc2c(=O)c(-c3nc(C)cs3)c(N)oc2cc1OCc1ccccc1F 11867294 ICZIJZBBNSGAAR-UHFFFAOYSA-N 410.470 5.088 0 40 HKAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1cccc(C(F)(F)F)c1 12178618 ZTEXYFNWWCRGEB-UHFFFAOYSA-N 413.808 5.140 0 40 HKAB C[C@@]12CC3CC(CC(=O)Nc4ccc5[nH]c(C(F)(F)F)nc5c4)(C1)C[C@](C)(C3)C2 12402578 DYFRVEYNBAYUKF-SWOGZVPRSA-N 405.464 5.907 0 40 HKAB Clc1cc(CSc2nnc(-c3cccs3)n2C2CC2)cc2c1OCCCO2 12679861 GQHWQIYLFUVOET-UHFFFAOYSA-N 419.959 5.449 0 40 HKAB C[C@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)NCCC1=CCCCC1 12768452 XNZHSPJRPHCSOS-INIZCTEOSA-N 423.607 5.846 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 12823735 KTBVUUISTMJWPM-KPKJPENVSA-N 410.880 5.116 0 40 HKAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1nc(-c2ccc(Cl)cc2)oc1C 12904804 MQYMWSPDOYFKEN-UHFFFAOYSA-N 402.853 5.113 0 40 HKAB CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2ccc3ccccc3c2)cc1 13030924 KKIVAUAGJNLMCS-QFIPXVFZSA-N 418.584 7.588 0 40 HKAB CCOc1ccc2nc(N(Cc3ccncc3)C(=O)Cc3ccc(F)cc3)sc2c1 13037056 XLZAQCKKOXAZQX-UHFFFAOYSA-N 421.497 5.005 0 40 HKAB O=C1C2=C(CCCC2)[C@@H](NC2CCCCCCCCCCC2)N1Cc1ccccc1 13898343 ACYBWKOVTBJQAQ-SANMLTNESA-N 408.630 6.488 0 40 HKAB Cc1nc(-c2ccc(CN[C@@H](C(=O)N3CCCCC3)c3ccccc3)s2)cs1 14110474 RYTDSQBRFJEKGK-OAQYLSRUSA-N 411.596 5.023 0 40 HKAB CC1CCN(c2ccccc2NC(=S)NC(=O)/C=C/c2ccc(C(C)C)cc2)CC1 17092804 FBIAQQOBWFOMLR-JLHYYAGUSA-N 421.610 5.573 0 40 HKAB O=C(CCc1c[nH]c2ccccc12)NCc1cn(-c2ccccc2)nc1-c1ccccc1 18110591 GWVLWWKBQUUCSU-UHFFFAOYSA-N 420.516 5.270 0 40 HKAB Cc1ccc([C@H](C)C(=O)N[C@H]2CCCc3c2cnn3Cc2cccc(Cl)c2)cc1 19136316 LCZFBOMDLMLFDZ-JTSKRJEESA-N 407.945 5.191 0 40 HKAB Cc1ccc(C2(C(=O)Nc3cc(NC(=O)c4ccco4)ccc3C)CCCC2)cc1 20096465 QYTLAWVQICOQQS-UHFFFAOYSA-N 402.494 5.599 0 40 HKAB COc1ccc(CCN(C)Cc2c(-c3ccc(C)cc3)nc3sccn23)cc1OC 20131254 FOUOXXMFHFPRQJ-UHFFFAOYSA-N 421.566 5.063 0 40 HKAB O=C(O)c1cc(NC(=O)C(c2ccccc2)c2ccccc2)c(Cl)cc1Cl 20137049 NIOCWDBNZWUTLX-UHFFFAOYSA-N 400.261 5.462 0 40 HKAB FC(F)(F)c1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3cccc(Cl)c3)c12 20183434 YUDCLJTWSRRUOU-UHFFFAOYSA-N 423.825 6.913 0 40 HKAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCSCc3ccc(Cl)cc3)cc2)C1 20455629 RHKQMEGZCTWPJU-SFHVURJKSA-N 417.018 5.235 0 40 HKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 20459646 VHKSKCQZIGFYPR-NRFANRHFSA-N 409.913 6.545 0 40 HKAB CCOc1ccc(CCC(=O)N[C@H](c2ccccc2)c2ccccc2C)cc1OCC 20484696 BHPHEBVRIZFTGJ-HHHXNRCGSA-N 417.549 5.631 0 40 HKAB Cc1c(C(=O)Nc2ccccc2)nnc2c(-c3ccc(Cl)cc3)c(C(C)C)nn12 20797850 OCCOAIQKXRHAEG-UHFFFAOYSA-N 405.889 5.129 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(Cl)cc1Cl 21580319 BCUFTESLXZYXRG-UHFFFAOYSA-N 412.276 5.798 0 40 HKAB C[C@@H]1CCCCN1c1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1 21595920 UZKFFFCBIBTTDW-LJQANCHMSA-N 408.586 6.159 0 40 HKAB Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)n1 21787705 MNCMTFIWHRIZID-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CSc3ccccc3)c2)cc1 22528829 CLTITUBARAYDAF-UHFFFAOYSA-N 418.562 5.967 0 40 HKAB Cc1noc(C)c1COc1ccccc1C(=O)NCCSc1ccc(Cl)cc1 23074870 RRTLIFWILBGZHG-UHFFFAOYSA-N 416.930 5.046 0 40 HKAB Cc1ccc(-c2nnc([C@H](C)Nc3cccc(-c4nnc5n4CCCCC5)c3)o2)cc1 24831682 QPRYGYHIKYFBGW-KRWDZBQOSA-N 414.513 5.203 0 40 HKAB FC(F)(F)c1cccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 25177771 YKNDUJNADAQOGQ-UHFFFAOYSA-N 409.761 5.099 0 40 HKAB O=C(C[C@@H](c1ccc(F)cc1)c1cc(Br)ccc1O)NC1CCCCC1 27578349 ARYCPAHEZLLNMX-SFHVURJKSA-N 420.322 5.265 0 40 HKAB CC(=O)Nc1s/c(=N\c2ccc(C)cc2)n(-c2ccc(C)cc2)c1-c1ccccc1 28405662 IEEZUCGHUDLAME-RFBIWTDZSA-N 413.546 6.013 0 40 HKAB C[C@@H](c1ccccc1)N1COc2cc3c(cc2C1)OCN([C@@H](C)c1ccccc1)C3 31628937 ZNAJPOXHIBRONX-PMACEKPBSA-N 400.522 5.513 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1nc2c(Cl)c(Cl)ccc2s1 32127082 CELJYBGDPPWDPD-UHFFFAOYSA-N 422.120 6.171 0 40 HKAB Cc1cccc(Cn2nc(C)c(NC(=O)c3cccc(Oc4ccccc4)c3)c2C)c1 32610089 JQYYGSJFXMNYSR-UHFFFAOYSA-N 411.505 5.901 0 40 HKAB Cc1sc2nc(-c3cccs3)nc(Sc3nnc(-c4cccnc4)o3)c2c1C 32717170 MSBHNOAPABBILP-UHFFFAOYSA-N 423.548 5.633 0 40 HKAB COc1ccc(/C=C/c2ccncc2)cc1Oc1ccc(/C=C\c2ccncc2)cc1 35973579 XNOZNCQZRKZBLL-AWYLAFAOSA-N 406.485 6.618 0 40 HKAB COc1ccc(C)cc1NC(=O)c1ccc(Oc2cccc(Br)c2)nc1 48265662 AVMNGAHYSMIVKH-UHFFFAOYSA-N 413.271 5.206 0 40 HKAB CCOc1ccc(S(=O)(=O)Nc2ccccc2NCC(F)(F)F)c2ccccc12 48366699 GMHPZQRLCFMRHJ-UHFFFAOYSA-N 424.444 5.014 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3ccccc3)sc2-c2ccc(OC)cc2)cc1 59464305 VGJOCRZOKIFYJW-UHFFFAOYSA-N 416.502 5.747 0 40 HKAB CCCCOc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3OC)no2)cc1 61997098 WKPSWYXJBYTKNL-UHFFFAOYSA-N 400.862 5.435 0 40 HKAB COc1ccccc1CN1COc2c(cc3c(-c4ccccc4)cc(=O)oc3c2C)C1 61997694 HSQFMDKMUROZTC-UHFFFAOYSA-N 413.473 5.129 0 40 HKAB biogenic COc1ccc(-c2cc(OC)c3cc(NC(=O)c4ccc(F)cc4)ccc3n2)cc1 65033872 QKLNVHSPPVTKMG-UHFFFAOYSA-N 402.425 5.310 0 40 HKAB Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(C)cn2)cc1 67295148 SIWGRAZTMQZHTA-RWEWTDSWSA-N 403.869 5.583 0 40 HKAB CCC(CC)NC(=O)c1ccc2onc(-c3coc(-c4cccc(OC)c4)n3)c2c1 96154363 YAYDGNLZQCPUAJ-UHFFFAOYSA-N 405.454 5.077 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1 106982473 OQWOVYZDKXVETC-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB Nc1c(C(=O)Nc2ccc(C(F)(F)F)cn2)sc2nc3c(cc12)CCCCCC3 215712276 NBCVHURZKVZVMZ-UHFFFAOYSA-N 420.460 5.204 0 40 HKAB Cc1cc(C)c(NC(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)c(C)c1 225340513 BOYCZOAKLYIMSU-UHFFFAOYSA-N 413.546 5.979 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccccc2F)CCOCC1 225570864 USDFEHWFKQZIFA-UHFFFAOYSA-N 405.469 5.092 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C(F)(F)F 225955023 GJINHJMLYYWACM-UHFFFAOYSA-N 405.460 6.191 0 40 HKAB CCc1ccc2oc(-c3cc(Br)c[n+](Cc4cccc(F)c4)c3)nc2c1 226308157 VZTBOAKTLSPREG-UHFFFAOYSA-N 412.282 5.295 0 40 HKAB CCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 253611252 HVJCKZFYZWPQOO-GXNJMDDTSA-N 414.718 8.433 0 40 HKAB O=C(c1ccccc1-c1ccccc1)N1CCOC[C@H](Cc2cccc3ccncc23)C1 257248427 JDQWRBLLFFPYSU-OAQYLSRUSA-N 422.528 5.233 0 40 HKAB Cc1ncsc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257270827 MVVCLLXYIITRNS-KRWDZBQOSA-N 401.919 5.051 0 40 HKAB C[C@@H](CCN1CCC[C@@H](c2cc(C(=O)NC3CCCCC3)on2)C1)c1ccccc1 257299483 RQGPYPBCJMDQSU-PZJWPPBQSA-N 409.574 5.110 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H]([C@@]5(C)CCC(=O)O5)[C@@]4(C)CC[C@@H]32)C1 257373180 ZSUHSKYVVTXINZ-UYBAFJQYSA-N 414.586 5.593 0 40 HKAB Cc1c([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n(-c2ccccc2)c1C 260765967 IOCOOTXIXKNTFT-AIYSXCBHSA-N 402.567 5.387 0 40 HKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260814610 LKZSARKEWIKOOG-BWKNWUBXSA-N 418.622 5.644 0 40 HKAB CCOc1cc(C(=O)Nc2c(C)cccc2C)cc(Cl)c1OCc1ccccc1 408624202 UYCYKNFLRVUMLW-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(C)cc2C)cc1 408695853 UAIIKCUAYPUCCE-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCCCOc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1 408714038 HDJKDDZTLWEVKW-UHFFFAOYSA-N 421.541 5.485 0 40 HKAB CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1F 409109561 HFQJOOZHGRUZBD-UHFFFAOYSA-N 413.920 6.686 0 40 HKAB Cc1cccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)c1 409116587 VOUQSMUJENBTDW-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Clc1ccc(NCc2cccc(OCc3ccc(Br)cc3)c2)cc1 409184383 XURUBADTSHLWRA-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(C(C)C)cc2)nc1-c1ccccc1 409196744 WZRGIGFTKWKICA-UHFFFAOYSA-N 420.578 6.488 0 40 HKAB COc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c(OC)c1 409206485 OWYVDELPACHFAO-UHFFFAOYSA-N 422.264 5.435 0 40 HKAB O=C(NC[C@H](c1ccco1)c1cccs1)NC(c1ccccc1)c1ccccc1 585146773 OIYUYAWCZVQSRT-HXUWFJFHSA-N 402.519 5.562 0 40 HKAB COc1cccc(CN2CCCCCOc3ccc(C)cc3Cc3cccc(c3)C2)c1 643579501 CCZZRALEEDRBNW-UHFFFAOYSA-N 415.577 6.159 0 40 HKAB CCOc1ccc(OCc2ccc(C(=O)N[C@H](C)c3ccc(C(C)(C)C)cc3)o2)cc1 652645 HAFGGJKXLLUHOP-GOSISDBHSA-N 421.537 6.046 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C)c(Cl)c4)sc3n2)c1 661184 IZIHSIYNPLSLMR-UHFFFAOYSA-N 423.925 5.768 0 40 HKAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)NC3CCCCC3)C3CCCC3)cc2c1 931507 OFJJSKGKQLFIJY-UHFFFAOYSA-N 411.615 5.097 0 40 HKAB CCOc1ccc(-c2csc(NC(=O)COc3ccc(C(C)C)c(C)c3)n2)cc1 948259 YYIDXJKPGOODHA-UHFFFAOYSA-N 410.539 5.658 0 40 HKAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(F)cc4C)c3n2)cc1 1003165 UCIOWLHSYBIKFB-UHFFFAOYSA-N 410.399 5.342 0 40 HKAB Cc1ccc(NC(=O)c2cc(Cl)cc(Br)c2O)cc1Br 1504071 KMROVZXIEIXPTH-UHFFFAOYSA-N 419.500 5.131 0 40 HKAB CC[C@H](Oc1ccccc1)C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 2084357 FPEJOKAUKXVJFL-KRWDZBQOSA-N 407.322 5.913 0 40 HKAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1ccccc1OC)CCC3 2119381 RKZUTPUJBDFZEI-UHFFFAOYSA-N 406.522 5.992 0 40 HKAB biogenic CSc1nc2sc3c(c2c2nnc(SCc4ccccc4)n12)CC[C@@H](C)C3 2296411 QBTDDDYGKURSSY-GFCCVEGCSA-N 412.609 5.478 0 40 HKAB FC(F)(F)c1cnc(Oc2ccc(-c3noc(C(F)(F)F)n3)cc2)c(Cl)c1 2571258 FWWWPCNJXLMFQA-UHFFFAOYSA-N 409.673 5.615 0 40 HKAB O=C(CSc1nc2ccccc2c2nc(-c3ccccc3)nn12)c1ccc(F)cc1 2968991 WNLDIVJYEUZZMD-UHFFFAOYSA-N 414.465 5.059 0 40 HKAB COc1cc2c(cc1NC(=O)Nc1ccc(Cl)c(Cl)c1)oc1ccccc12 3135806 JDEJPDSRBOAOGN-UHFFFAOYSA-N 401.249 6.545 0 40 HKAB c1ccc(-c2csc3nc(CN4CCCCC4)nc(NCc4ccccn4)c23)cc1 3447833 OXYHPXYIPUSQCM-UHFFFAOYSA-N 415.566 5.351 0 40 HKAB COc1ccc(NC(=O)CSc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 3581528 WHQRVZUWDOXDFN-UHFFFAOYSA-N 420.509 5.568 0 40 HKAB COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3Cl)C[C@@H]21 4029942 AJCTUOVVUOISQR-CVDCTZTESA-N 412.917 5.177 0 40 HKAB biogenic CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 4176788 LJPKRQGYSWNQIA-SANMLTNESA-N 420.516 5.545 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Cl)cc2Cl)N3)C1 4545542 AQCBYPSYPUHQPE-ZMZPIMSZSA-N 423.409 7.025 0 40 HKAB Clc1ccc(C2=NN(c3ccccc3Cl)[C@H](c3ccccc3Cl)C2)cc1 4906915 XAXHGZFXAIWRET-NRFANRHFSA-N 401.724 7.003 0 40 HKAB Cc1oc2ccc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)cc2c1C(=O)O 5516147 ZRWCSQPNTIHKGC-UHFFFAOYSA-N 413.495 5.288 0 40 HKAB O=c1c2c3c(sc2nc(/C=C/c2ccccc2)n1CCc1ccccc1)CCCC3 5773396 QAXKKZWXHKYZTD-FOCLMDBBSA-N 412.558 5.750 0 40 HKAB CC(=O)c1ccc(OCCCC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)cc1 6085238 SOWAQPPDNDIUII-UHFFFAOYSA-N 419.506 5.292 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccccc1 6630765 FICRSOITCBBCOV-UHFFFAOYSA-N 404.510 5.332 0 40 HKAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 6693375 XLACCTQRTDDINJ-UHFFFAOYSA-N 414.534 5.480 0 40 HKAB C[C@@H]1C[C@@H](N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 6755172 ALPRRIBTOUMOIX-VGOFRKELSA-N 400.478 5.203 0 40 HKAB C[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 6763293 KABPCEUOTTULPO-IHWZQUIOSA-N 405.607 6.241 0 40 HKAB O=C(Nc1cccc(Cl)c1)OC1CCN(C(=O)Nc2cccc(Cl)c2)CC1 6925973 RSKSKVSLOIYQKX-UHFFFAOYSA-N 408.285 5.238 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(-c3ccoc3C)o2)c2ccccc2)c1 8327034 WDYOUVLQSXOWIX-HXUWFJFHSA-N 419.506 5.727 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2OC(F)F)cc1 8432306 JHTNFHDNPREZPP-NFBKMPQASA-N 422.431 5.539 0 40 HKAB CCOc1ccc([C@@H]2CN3C(=O)c4ccccc4[C@@H]3c3[nH]c4ccccc4c32)cc1OC 8790306 GHHPOAMANWJCMI-RXFWQSSRSA-N 424.500 5.266 0 40 HKAB biogenic Cc1nnc(CSc2nc(-c3ccc(Br)cc3)nc3ccccc23)o1 8924110 ZXLGPWZUONXAHK-UHFFFAOYSA-N 413.300 5.043 0 40 HKAB O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1Cc1c(F)cccc1Cl 9232721 VADPUPWCEIHSHV-VGOFMYFVSA-N 416.688 6.022 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1C 9251035 RDSMVXQRFYWIGV-QGZVFWFLSA-N 402.519 5.986 0 40 HKAB C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Cl)cc1 10219603 UCRMEZZPMRRXLM-INIZCTEOSA-N 402.885 5.079 0 40 HKAB CCOc1cccc2cc(-c3csc(NC(=O)Cc4ccc(OC)cc4)n3)oc12 10750979 SFFODEMQCOSPCK-UHFFFAOYSA-N 408.479 5.145 0 40 HKAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NCc4ccc(Cl)cc4)c(C)c32)c1C 11867434 UIIWOWBQEIWWMF-UHFFFAOYSA-N 423.896 5.285 0 40 HKAB COc1ccc(CCn2c(-c3ccc(C)c(C)c3)cs/c2=N\c2ccccc2)cc1 12462273 QNWJHOFFFHVILL-RQZHXJHFSA-N 414.574 6.317 0 40 HKAB Cc1cccc(-c2nn(CN(C)[C@H](C)c3nc4ccccc4s3)c(=S)n2C)c1 12745010 MEMIUJWGXUUGEC-OAHLLOKOSA-N 409.584 5.187 0 40 HKAB CSc1ccc(CN(C)C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)cc1 12802617 ZZVPZQNXWMVDAI-JOCHJYFZSA-N 414.571 5.109 0 40 HKAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1cc(Cl)ccc1F 12877970 OVRWQGBUIXMQCK-IBGZPJMESA-N 406.935 5.188 0 40 HKAB Cc1nc(N2CCN(c3cccc(C)c3C)CC2)c2c3c(sc2n1)CCCCC3 13038586 RNCGSKCHENGQAA-UHFFFAOYSA-N 406.599 5.212 0 40 HKAB S=c1sc(SC[C@@H]2CN[C@H](c3ccc(Cl)cc3)O2)nn1-c1ccccc1 13131561 QGVYENGYDQFOBU-HOTGVXAUSA-N 422.000 5.096 0 40 HKAB COc1ccc(OC)c([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)c1 13778148 GLHGQZPOQWRWTJ-TUACAJSNSA-N 415.961 5.226 0 40 HKAB Fc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)ccc1Cl 13778185 UCJHIPRZLYIGIW-AUSIDOKSSA-N 422.843 5.450 0 40 HKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)c1 17090353 AHQDSQBETSFARH-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB C[C@H](CCN1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1)c1ccccc1 19455654 PLPUHLFQJZSMBX-KIFXHHALSA-N 407.602 5.191 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)c1cccc(OCc2ccccc2Cl)c1 22257995 HINGHJWDYMSPEA-UHFFFAOYSA-N 405.803 6.190 0 40 HKAB COc1cccc(NC(=O)c2sc(COc3ccc(C(C)(C)C)cc3)nc2C)c1 27912514 WFGNQVDMLKZOPV-UHFFFAOYSA-N 410.539 5.589 0 40 HKAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1 27921644 CJFJYYHCFPPUIF-VQTJNVASSA-N 424.342 5.053 0 40 HKAB O=C(CSC(c1ccccc1)c1ccccc1)N[C@H](c1ccccc1)c1ccccn1 36714789 ZPZNUYXQYNCZAK-AREMUKBSSA-N 424.569 5.810 0 40 HKAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 40112879 DVMICHSFYTVGEE-INIZCTEOSA-N 411.933 5.171 0 40 HKAB CCOc1ccc(Nc2c(C(=O)N3CCCC[C@@H]3CC)cnc3nc(C)ccc23)cc1 49005075 QXJGPMOFWGHRGZ-IBGZPJMESA-N 418.541 5.485 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3nnc(C4CCC4)s3)c3ccccc3n2)cc1 61719866 IEQRECITIWYZNM-UHFFFAOYSA-N 416.506 5.282 0 40 HKAB CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCCN2C(=O)c2ccccc2)n1 72390732 DCSLUWJXQJLUJR-HXUWFJFHSA-N 404.514 5.068 0 40 HKAB CCc1nn2c(O)c(Cc3ccc(Br)cc3)c(C)nc2c1-c1ccccc1 102727220 CKERSURHRBPZDW-UHFFFAOYSA-N 422.326 5.326 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2C)c(C)c1 107737671 TZDTYZNHLOPMBC-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB O=C(NC1CCCCCCC1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223078302 WWETVSGNILSVRL-UHFFFAOYSA-N 424.972 5.776 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3cccc(C)c3)c2)cc1 224113109 LRHFJHQDWWVBBR-UHFFFAOYSA-N 419.477 5.012 0 40 HKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(CC)c2C)cc1 224332570 GLJWLRYFFYSHIB-DHIUTWEWSA-N 404.583 5.259 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(C)cc2)cc1 224409873 NCUOMAJROINZNK-OSVNEOKWSA-N 404.535 5.013 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224876784 BSXYODMUXJMWJH-UHFFFAOYSA-N 419.706 5.637 0 40 HKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(OCc2ccccc2Cl)c1 224886595 HZYDIGJXVCPSLP-UHFFFAOYSA-N 421.802 6.070 0 40 HKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)N1CCCCCC1 225333181 FJZMSWMXUYXHJG-UHFFFAOYSA-N 419.352 5.581 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCN3CCCCCC3)cc2)CCCCCC1 225659584 HGYIUVOZOJXZMO-UHFFFAOYSA-N 416.606 5.400 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 225848218 CZUALFVHZLAOMU-XMMPIXPASA-N 421.578 5.602 0 40 HKAB Cc1ccc(C2(NC(=S)Nc3ccc(Br)cc3F)CCCC2)cc1 225860978 QRCWKGOOLPSJKI-UHFFFAOYSA-N 407.352 5.653 0 40 HKAB CO[C@@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]3[C@@H]12 257350288 WCLAESSRAKSOIR-KAZDOMLTSA-N 416.690 7.014 0 40 HKAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260812384 AZYIGLLFSDGIJG-HYBUGGRVSA-N 404.595 5.110 0 40 HKAB CC(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1 408974079 WXOXKKKKCZFCOV-UHFFFAOYSA-N 419.352 5.608 0 40 HKAB Cc1cccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccncc2)c1 409102615 DPBQJZHYXGCSNM-UHFFFAOYSA-N 422.941 5.462 0 40 HKAB Cc1cccc(Cn2cc(/C=C3/NC(=O)N(Cc4ccccc4)C3=O)c3ccccc32)c1 409248048 FRTMDPOXTLBPRF-BUVRLJJBSA-N 421.500 5.091 0 40 HKAB CC(C)N(Cc1ccc(-c2ccccc2)s1)C(=O)Nc1ccc(C(F)(F)F)cc1 1615056460 YTYBBCPLAHPCPF-UHFFFAOYSA-N 418.484 6.876 0 40 HKAB Cc1cccc(NC(=S)N(Cc2ccco2)Cc2cc3ccc(C)cc3[nH]c2=O)c1 884808 VAQQFDZENOYYOG-UHFFFAOYSA-N 417.534 5.137 0 40 HKAB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccc(C(C)C)cc1 1095247 FVDQSVIJRJPELU-UHFFFAOYSA-N 400.478 5.944 0 40 HKAB COc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)c1 1360500 KGOAUYLRCFHJSC-LJQANCHMSA-N 419.525 5.063 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3nc4ccc(C)cc4s3)c3ccccc3n2)cc1 2086353 SBOUEKPFQWNXHQ-UHFFFAOYSA-N 409.514 6.381 0 40 HKAB CCCCc1ccc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2c1 2177838 HEOOUQYDPWYBHF-UHFFFAOYSA-N 400.956 6.759 0 40 HKAB Nc1ccccc1S[C@H](CC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 2178972 ZENTYGQCECVLLE-OAQYLSRUSA-N 402.346 6.682 0 40 HKAB CC(C)Oc1ccc([C@H](CCNCc2ccc3c(c2)OCO3)c2ccc(F)cc2)cc1 2454044 JWEWFXZTLACCEX-XMMPIXPASA-N 421.512 5.653 0 40 HKAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccc(C)cc1 2454320 WTAGOLGMLACJIO-UHFFFAOYSA-N 402.523 5.157 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(C(F)(F)F)c3)n2)c1 2628791 OSHRUQLDCCHMTR-UHFFFAOYSA-N 408.401 5.098 0 40 HKAB O=C(NCc1ccccc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 3033216 QTNMFLBJKOYDEI-UHFFFAOYSA-N 415.496 5.894 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 3245953 CYIYAEXBRJHCPL-UHFFFAOYSA-N 414.870 5.642 0 40 HKAB C[C@H](Nc1ccc(Oc2ccccc2)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 3456229 LNUKWBUMFPZYQK-FQEVSTJZSA-N 424.500 6.710 0 40 HKAB Cc1cccc(Cn2cc(SCC(=O)Nc3cccc(C)c3C)c3ccccc32)c1 4059684 JZFWPXWKRTXCSF-UHFFFAOYSA-N 414.574 6.346 0 40 HKAB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc2ncsc2c1 4088361 GNYCVDYJNPTMSS-UHFFFAOYSA-N 403.488 5.531 0 40 HKAB CCN(CC)c1ccc2c(c1)Oc1ccc(NC)cc1[C@@]21OC(=O)c2ccccc21 4794697 YDRFEYUCIQSKNK-VWLOTQADSA-N 400.478 5.143 0 40 HKAB Cc1ccc(-n2nc(C)c3c(Cl)c(C(=O)N[C@@H](C)c4ccccc4)cnc32)cc1 5314581 NUVZGSMLSKYWOO-HNNXBMFYSA-N 404.901 5.182 0 40 HKAB Cc1sc2nc([C@@H](C)Sc3nc4cc(Cl)ccc4s3)[nH]c(=O)c2c1C 5361307 AIFKCXRSLQVQDO-SECBINFHSA-N 407.973 5.718 0 40 HKAB CC(=O)[C@H](C)Sc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)c(C)nn12 5562987 NYOJGFWBFBVQHT-AWEZNQCLSA-N 401.963 5.725 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1nc(-c2ccc(Cl)cc2)cs1 5681766 PUEOCXUWOOGSJA-UHFFFAOYSA-N 418.949 6.624 0 40 HKAB CCOc1ccccc1Nc1nnc(SCc2ccc(Cl)c(Cl)c2)s1 5694322 IUFYEQYJLOQICK-UHFFFAOYSA-N 412.367 6.280 0 40 HKAB COc1c(C(=O)Nc2cc(-c3nc4cccnc4o3)ccc2C)ccc2ccccc12 5740486 DMGOKJBMPUCGGI-UHFFFAOYSA-N 409.445 5.612 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C 6207669 WQPGOQYLCZTOHF-UHFFFAOYSA-N 403.309 6.641 0 40 HKAB Cc1cc(C)c(-n2cccc2CNCCOC2c3ccccc3-c3ccccc32)c(C)c1 6370495 BDMRUVTUSSWRPN-UHFFFAOYSA-N 422.572 6.279 0 40 HKAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1cc(F)ccc1F 6376550 KPOUJEVYBXSNFL-LJQANCHMSA-N 414.839 5.118 0 40 HKAB CCOc1cccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)c1 6440224 BHNVIGHEDRBGST-QGZVFWFLSA-N 414.505 6.659 0 40 HKAB Cc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 6477727 LTTZXWCPDDCHER-DEOSSOPVSA-N 409.485 5.198 0 40 HKAB Cc1cc(C)c2[nH]c(-c3ccccc3)c(/C=C(\Sc3nnc(C)o3)C(=O)O)c2c1 7603445 LZASMWDBMGILNI-WQRHYEAKSA-N 405.479 5.361 0 40 HKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 8478417 NVLZEEIZTSQSQZ-NRFANRHFSA-N 414.933 5.152 0 40 HKAB FC(F)(F)c1cccc(-c2nnc3sc(-c4ccc(-c5ccccc5)o4)nn23)c1 8715055 RUDPAIIPYOOITJ-UHFFFAOYSA-N 412.396 5.799 0 40 HKAB COc1ccc(COc2ccc(-c3n[nH]c(C)c3-c3ccc(Cl)cc3)c(O)c2)cc1 8744146 IMTYCWWHHFCVAY-UHFFFAOYSA-N 420.896 5.999 0 40 HKAB Cc1noc(C)c1CSc1ncccc1C(=O)N1CCCSc2ccccc21 8745771 RQMGQCMCIZBKMR-UHFFFAOYSA-N 411.552 5.121 0 40 HKAB CSc1ccc([C@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2cccc(F)c2)cc1 8783291 NJOHJDWOSSPAKV-DEOSSOPVSA-N 421.581 7.271 0 40 HKAB CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OCC 9296024 UDLFSJGWXPVFER-PDGQHHTCSA-N 403.887 5.378 0 40 HKAB Cc1cc2nc(N(Cc3cccnc3)C(=O)c3cccc4ccccc34)sc2cc1C 9323446 DWGSYRYPQNTOBC-UHFFFAOYSA-N 423.541 6.308 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](Sc1nnc(C2CC2)o1)c1ccccc1 9446676 PVJOSFYBWHYLGN-INIZCTEOSA-N 420.321 5.726 0 40 HKAB COc1ccc(-c2cc(-c3nc4ccccc4[nH]3)c(-c3ccccc3)nn2)cc1OC 12539075 ZJFJEUOXYWQINH-UHFFFAOYSA-N 408.461 5.371 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCCc4ccccc43)c2n1 12604598 VJGHKPXSBQPUMB-UHFFFAOYSA-N 401.293 5.208 0 40 HKAB Cc1ccc(-c2nc(C)sc2CC(=O)NCCCCOc2ccc(F)cc2)cc1 12767231 REWPIDZCXVKRGA-UHFFFAOYSA-N 412.530 5.084 0 40 HKAB Cc1c(Cl)cccc1NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 12867849 HSNAKZMYKUDORO-UHFFFAOYSA-N 407.322 5.519 0 40 HKAB COc1ccc(NC(=O)c2ccc(CSc3nc(-c4ccccc4)n[nH]3)cc2)cc1 12943184 YGXGHRHHSCVIEK-UHFFFAOYSA-N 416.506 5.025 0 40 HKAB COc1ccc(NC(=O)c2ccc(COc3ccc(F)c4c3C(=O)C[C@@H]4C)cc2)cc1 13015429 ILZBQTDKZDVRFK-HNNXBMFYSA-N 419.452 5.356 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 13584426 MCTMNNYPYMGTFV-SFHVURJKSA-N 421.305 5.126 0 40 HKAB CCOC(=O)c1cccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 13675348 QRAITRRDEFSEAI-LTGZKZEYSA-N 405.881 5.696 0 40 HKAB O=C(CSc1cnc2ccccc2n1)N1c2ccccc2Sc2ccccc21 16545589 RKTJPWMKEAQQHT-UHFFFAOYSA-N 401.516 5.551 0 40 HKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc2c(Cl)cccc12 17091232 KRSZRLANLAVUDM-UHFFFAOYSA-N 417.736 6.783 0 40 HKAB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4F)c3)nc2c1 17091823 GPSKRWUSJJYFEH-UHFFFAOYSA-N 419.481 5.378 0 40 HKAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 17093703 PXFUSTCWUZVQPF-UHFFFAOYSA-N 423.708 6.769 0 40 HKAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccc(COC(C)=O)o3)on2)cc1 19023015 WHHBJKIMDJSRCF-QHCPKHFHSA-N 424.497 5.124 0 40 HKAB CCCC(=O)N1CCCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19501400 FZZOJVPHVYOMDW-OAQYLSRUSA-N 401.514 5.136 0 40 HKAB Cc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1C 20043280 RDEGHHBTLLVKGB-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(Nc1cccc(Br)c1)c1ccc(CN2CCc3ccccc32)cc1 20488621 VOIRZTOKFXFKCB-UHFFFAOYSA-N 407.311 5.264 0 40 HKAB COc1ccc(-c2nn3c(Nc4cc(C)cc(C)c4)cc(C)nc3c2C)cc1OC 23118886 QYWIBWLFYMTFBZ-UHFFFAOYSA-N 402.498 5.391 0 40 HKAB CC(=O)N(c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)cs1 27027301 RWURDZXGKGGAGF-UHFFFAOYSA-N 407.720 5.911 0 40 HKAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(CSc2ccccc2)cc1 27632487 NFXDPBQZKKQNKV-UHFFFAOYSA-N 404.535 5.068 0 40 HKAB Cc1ccc2c(C)c(C(=O)N(Cc3ccc(Cl)cc3)c3ccccn3)oc2c1C 28293733 RGIWHMVPDZYZFP-UHFFFAOYSA-N 404.897 6.253 0 40 HKAB COc1ccc(S[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1OC 30849908 LQYQQESNVJJIKR-QGZVFWFLSA-N 407.535 5.090 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(NC(=O)[C@H](C)Oc4ccccc4F)cc3)n2)cc1 32623173 NAEXIDBTDXBINQ-INIZCTEOSA-N 417.440 5.257 0 40 HKAB Cc1ccccc1NC(=O)COc1cccc(-c2noc(-c3cccc(Cl)c3)n2)c1 33327302 KVNAJNJACGWHOV-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CCOc1c(Cl)cc(C(=O)OCC(=O)c2ccccc2)cc1OCc1ccccc1 33382772 DQLJODMQNGGIMX-UHFFFAOYSA-N 424.880 5.357 0 40 HKAB CCOc1cc(-c2ccccc2)sc1C(=O)Nc1cc(C(=O)OC)c(F)cc1F 40145401 NNUPWBWBHZDZEJ-UHFFFAOYSA-N 417.433 5.131 0 40 HKAB Cc1ccc(-c2cc3c(SCc4cccc(Br)c4)nccn3n2)c(C)c1 45925461 LIPRUCAHWZPCLI-UHFFFAOYSA-N 424.367 6.068 0 40 HKAB C[C@H]1SC2(CCC(C(C)(C)C)CC2)N(c2ccc(OCc3ccccc3)cc2)C1=O 49947095 UAAPDEPWDCWRJK-QNRDPGIFSA-N 423.622 6.667 0 40 HKAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 58087829 HIJOUJRIEBHWQH-UHFFFAOYSA-N 409.456 5.344 0 40 HKAB Cc1ccc(-c2cc3c4nnc(SCc5cccc(Cl)c5)n4ccn3n2)cc1C 67260640 OYABFMSBQDNLEN-UHFFFAOYSA-N 419.941 5.607 0 40 HKAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)n1 72354114 WBJAEBDSMQLXEA-JOCHJYFZSA-N 419.594 5.003 0 40 HKAB C[S@@](=O)Cc1c(C(=O)Nc2cccc(OC3CCCC3)c2)sc2ccccc12 83990135 UHSXCHJAGUDMNF-NDEPHWFRSA-N 413.564 5.354 0 40 HKAB COc1ccc(CN(Cc2nnc(-c3ccccc3)o2)C2CCCCC2)cc1OC 95389770 XBYBAFKVNLSEKD-UHFFFAOYSA-N 407.514 5.089 0 40 HKAB CCOCCn1/c(=N/C(=O)c2ccc(C(C)(C)C)cc2)sc2cc(Cl)ccc21 100873368 DFCMCWDWHSMIMW-FLFQWRMESA-N 416.974 5.431 0 40 HKAB C[C@@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2c2c1c1ccccc1n2Cc1ccccc1 102921294 AONNCUFLRUFGMU-KPCPBYSCSA-N 420.512 5.470 0 40 HKAB Cc1cc(-c2csc(NC(=O)[C@H]3CC(c4ccccc4Cl)=NO3)n2)c(C)s1 141581455 IHAPNXBYVHWUQS-QGZVFWFLSA-N 417.943 5.274 0 40 HKAB CCCCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 210200906 IPBQNZBJGGQOPP-CPNJWEJPSA-N 417.914 5.768 0 40 HKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(OCC)cc1 222977684 WTTBFEHSKDOTJM-GOTSBHOMSA-N 420.582 5.044 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)cc1Cl 223261812 FIYGMCAYBWRXQH-HNNXBMFYSA-N 403.906 5.355 0 40 HKAB Cc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1C 224029169 POSAZVNSFLVYLQ-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)(C)C)c2)cc1 224168497 FMPUTSFXOUAFID-UHFFFAOYSA-N 417.549 6.386 0 40 HKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 224227870 UFVXYWUNGLPFAR-RUZDIDTESA-N 420.597 5.021 0 40 HKAB COc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1cccc2ccccc12 224300992 KBEWXSQLGPNQNH-UHFFFAOYSA-N 401.437 5.819 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 224335420 QZNYDPIOAVQGIV-UHFFFAOYSA-N 405.563 6.419 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1cccc(Cl)c1 224487618 BMBBIZHOJLBTEO-UHFFFAOYSA-N 409.913 6.132 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1cc(C)cc(C)c1 224533518 ALJJGYLTDLHSNB-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 224773722 PPJKJBGQNBFYLN-OAQYLSRUSA-N 416.565 5.024 0 40 HKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CCCC1 225013054 CHKQHPHJHDVNMA-GOTSBHOMSA-N 408.615 5.530 0 40 HKAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)o1 225360740 VLJJDEVKUAAGFO-PKTZIBPZSA-N 419.550 5.482 0 40 HKAB CCCOC1(C(=O)Nc2ccc(O[C@H](C)CC)c(C(=O)OCC)c2)CCCCC1 225851579 MLITYLTWACQSCD-QGZVFWFLSA-N 405.535 5.109 0 40 HKAB COC(=O)c1cc(NC(=S)NC2(c3ccccc3C)CCCC2)ccc1Cl 225861332 PQWKKOIBUAOMMA-UHFFFAOYSA-N 402.947 5.191 0 40 HKAB C[C@H]1CCCCN1c1ccc(N)cc1C(=O)Nc1c(Cl)cc(Cl)cc1Cl 226324497 VMTBRNKNDHUVHZ-NSHDSACASA-N 412.748 5.860 0 40 HKAB CC1(C)OC(=O)C([C@H](c2ccc(Cl)cc2Cl)c2c[nH]c3ccccc23)C(=O)O1 409114919 DXTQZDKRLOPYLE-QGZVFWFLSA-N 418.276 5.059 0 40 HKAB O=C(N[C@H](c1cccs1)C1CCOCC1)c1cccc(Oc2ccc(F)cc2)c1 585149467 VHOWZANSWKGQDE-QFIPXVFZSA-N 411.498 5.577 0 40 HKAB CC(C)=CCC[C@@]1(C)Oc2cc(-c3ccccc3C(=O)O)ccc2[C@@H]2O[C@H](C)CC[C@H]21 585265621 MEUHSKROHWGFKL-UBJKNDRWSA-N 420.549 6.806 0 40 HKAB CCCCc1cnc(Nc2cccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2)s1 2037836037 LVYSBXZCARHIJV-UHFFFAOYSA-N 416.591 5.739 0 40 HKAB COc1ccc(NC(=O)c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 683206 WAVQSINIMATTIX-UHFFFAOYSA-N 402.494 5.497 0 40 HKAB O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Br)cc1 994337 IEGWJVPTSHMAID-UHFFFAOYSA-N 415.523 5.210 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)cc1OC 996221 DSFGIRBOPRZLLH-UHFFFAOYSA-N 418.880 5.825 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(C(=O)NCc3ccccc3)C3CCCCC3)cc2c1 1327113 OLRLZOZAIANLFQ-UHFFFAOYSA-N 417.553 5.135 0 40 HKAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2)o1 1333663 VRNGLZQSSQUQRT-HSZRJFAPSA-N 422.550 5.025 0 40 HKAB Cc1ccc(C(=O)N(CCc2ccccc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 1346811 LPCYWKVQEYZFQK-UHFFFAOYSA-N 410.517 5.030 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 1944439 OBSHZMYJIGVFST-HNNXBMFYSA-N 415.555 5.093 0 40 HKAB COc1ccc([C@@H]2C=C(Nc3ccc(C)c(C)c3)C(=O)N2c2ccc(C)c(C)c2)cc1 2058521 HVRWEYPXGVZVBC-SANMLTNESA-N 412.533 6.013 0 40 HKAB CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O 2062830 OOBQAKZDOJZSGT-UHFFFAOYSA-N 420.292 5.531 0 40 HKAB CCOC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)c1cccc(OCC)c1 2088384 WDTWMHWXZCOFJX-UHFFFAOYSA-N 423.534 5.860 0 40 HKAB Cc1c(C)c2cc(Cl)c(OCC(=O)c3c(C)n(C)c4ccccc34)cc2oc1=O 2122627 GBPXYPADROANGT-UHFFFAOYSA-N 409.869 5.125 0 40 HKAB biogenic COC(=O)c1c(NC(=O)c2c(-c3ccccc3)noc2C)sc2c1CCCCCC2 2755568 DXDYBXQOYAORNB-UHFFFAOYSA-N 424.522 5.409 0 40 HKAB COc1cccc(COC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)c1 3218275 IBUPOBHVUOPSDD-UHFFFAOYSA-N 412.898 5.414 0 40 HKAB Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1 3257374 JFFZISNFWAOTGG-UHFFFAOYSA-N 415.276 5.159 0 40 HKAB O=C(COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)Nc1cccc(F)c1 3292232 MTKGWSOAATYHTM-UHFFFAOYSA-N 417.358 5.307 0 40 HKAB CC1(C)Cc2cccc(OCC(=O)Nc3nc(-c4ccc(Cl)s4)cs3)c2O1 3306398 JAQFBEVZCOFUDJ-UHFFFAOYSA-N 420.943 5.256 0 40 HKAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(Nc3ccc(C)c(C)c3)s2)cc1 3317257 DHDGGLCMCCXGGX-OAHLLOKOSA-N 412.584 5.580 0 40 HKAB O=C(OCCOc1ccc(Cl)cc1Cl)c1ccc(-c2ccc(O)cc2)cc1 3328656 WZLSNNSFMULKJB-UHFFFAOYSA-N 403.261 5.602 0 40 HKAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)c2ccccc21 3337096 NWUVBDCYVYYFIG-NRFANRHFSA-N 416.304 5.155 0 40 HKAB CN(Cc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1)C1CCCCC1 3353093 VNTYXCYNSOBNHH-UHFFFAOYSA-N 408.567 5.405 0 40 HKAB COc1ccccc1-c1nnc(SCc2csc(-c3ccc(C)cc3)n2)n1C 3406057 NJEJRVWVCNNSDK-UHFFFAOYSA-N 408.552 5.215 0 40 HKAB CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 3446096 LLBIXJSLIOJKQY-UHFFFAOYSA-N 418.990 5.009 0 40 HKAB COc1cc(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc(OC)c1OC 4069846 BBGPAHZFIJGJRL-UHFFFAOYSA-N 412.511 5.013 0 40 HKAB C[C@H](Oc1ccccc1)C(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4267185 PYINUSGDKUECNZ-INIZCTEOSA-N 400.434 5.091 0 40 HKAB CC(C)N(C(=O)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1)C(C)C 4413087 NBOCXNHAICQPDO-UHFFFAOYSA-N 412.618 6.053 0 40 HKAB COc1cccc(C(=O)c2sc3nc4c(c(-c5cccnc5)c3c2N)CCCC4)c1 4457570 PODLWBOFZDESGX-UHFFFAOYSA-N 415.518 5.059 0 40 HKAB Cc1cc2nc(Nc3ncc4c(n3)C[C@H](c3cccs3)CC4=O)nc(C)c2cc1C 4488276 BZHUVLZAXBOBFY-HNNXBMFYSA-N 415.522 5.063 0 40 HKAB CCCCc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(F)(F)F)c3)CC2=O)cc1 4557491 AHQLAEDSPWSAEG-INIZCTEOSA-N 404.432 5.040 0 40 HKAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc(Br)cc3)o2)cc1 4619590 IWNLYQNMCGJFJR-GFCCVEGCSA-N 403.301 5.171 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1cc(C)c(O)c(-c2nc3cc(C)ccc3o2)c1 4988517 FLFNVKZJGYUMLN-UHFFFAOYSA-N 418.449 5.087 0 40 HKAB CCCCSc1nc2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2s1 5047135 SDVOUSLKGILZMP-UHFFFAOYSA-N 402.541 5.458 0 40 HKAB COc1ccc(C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)cc1 5445021 MAEVEGQVHKULCU-SXEOCYHKSA-N 422.528 6.132 0 40 HKAB Cc1ccc(NC(=O)c2ccc(CSc3nc4ccc(C)cc4[nH]3)cc2)c(C)c1 5490465 ZAFMHWMNOYUISN-UHFFFAOYSA-N 401.535 6.033 0 40 HKAB CCc1cccc2c(C(=O)C(F)(F)F)cn(Cc3ccc(Cl)c(Cl)c3)c12 6285520 BTBGAHJXIVSZAN-UHFFFAOYSA-N 400.227 6.304 0 40 HKAB Cc1cccc(-n2c(SCC(=O)c3cc(C)c(C)cc3C)nc3ccccc32)c1 6315320 YXRZGUTTZQCJNC-UHFFFAOYSA-N 400.547 6.234 0 40 HKAB Cc1cccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3o2)c1 6450972 BBELJIQUBSVWJX-UHFFFAOYSA-N 420.896 6.253 0 40 HKAB Cc1cc(Cl)ccc1OCc1n[nH]c(SCc2nc3ccccc3s2)n1 6590724 JRNUQWKDDIEAFJ-UHFFFAOYSA-N 402.932 5.248 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2Cc2ccccc2)cc1 6668657 OOIMFKFRSRMDFG-UHFFFAOYSA-N 420.582 5.413 0 40 HKAB Cc1cccc(Nc2nnc(S[C@@H](C)c3nnc(-c4cccs4)o3)s2)c1 6830475 CSSFAXSFNKGNMT-NSHDSACASA-N 401.542 5.555 0 40 HKAB CC[C@H](C)n1c(SCC(=O)Nc2cccc3ccccc23)nc2ccccc2c1=O 7237697 KTVPXAAWGFYNBM-INIZCTEOSA-N 417.534 5.252 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)ccc21 7504999 GSPYQMOQVMBIJB-KRWDZBQOSA-N 420.940 6.491 0 40 HKAB CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2csc(C)n2)c1 7777443 WHIPHDAZYMVORZ-UHFFFAOYSA-N 414.914 5.382 0 40 HKAB Cc1cc(C2=[N+]([O-])C(C)(C)C(c3ccc(Cl)c(C)c3)=[N+]([O-])C2(C)C)ccc1Cl 7813377 QQIXDSXFDLXBJY-UHFFFAOYSA-N 419.352 5.480 0 40 HKAB Fc1cc2c(c(CSc3ncnc4ccccc34)c1)O[C@@H](c1ccccc1)OC2 8189820 OSORKJCQBZXFBN-QHCPKHFHSA-N 404.466 5.669 0 40 HKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(OCCC)cc3)sc2c1 8903164 YOAVMEOPZXDSPT-UHFFFAOYSA-N 412.511 5.294 0 40 HKAB C[C@H]1CCCN(Cc2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)C1 9112180 BLABIDFMCXDWOH-SFHVURJKSA-N 405.567 5.146 0 40 HKAB Cc1cc(C)cc(OCCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667406 ZMLQXUQLBPXYKZ-LJQANCHMSA-N 417.509 5.206 0 40 HKAB CCN(CC)CCN(C(=O)c1cccs1)c1nc2c(OC)ccc(Cl)c2s1 12345250 GOZFHNFFVPIQEN-UHFFFAOYSA-N 423.991 5.008 0 40 HKAB COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]2)c(OC)c1C 13284542 PFQPCBJZZNSMGC-UHFFFAOYSA-N 404.897 6.390 0 40 HKAB O=C(C[C@@H](Sc1cccc(Cl)c1Cl)c1ccccc1)c1ccc(F)cc1 16477298 XEQIDXYGZDLHQO-HXUWFJFHSA-N 405.321 7.239 0 40 HKAB CC(C)COc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 16575341 BNZVTSHMFUNKTP-UHFFFAOYSA-N 402.519 6.250 0 40 HKAB CCc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 16741665 IYAYYDPNAUIQSB-XMMPIXPASA-N 424.500 5.425 0 40 HKAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 17092424 LNMYKKNULVLXBJ-UHFFFAOYSA-N 420.582 5.042 0 40 HKAB Fc1ccccc1OCCc1cc([C@H]2CCCN2Cc2ccc3ncccc3c2)n[nH]1 19703635 ILAFSLUGIVIDJC-XMMPIXPASA-N 416.500 5.056 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C(=O)O)c(Cl)c3)o2)cc1Cl 20145479 LTLILOALLOMPRO-RMKNXTFCSA-N 416.260 5.912 0 40 HKAB Cc1ccc2[nH]c(Sc3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)nc2c1 20353864 SDJVFOHMTYRHKK-UHFFFAOYSA-N 417.921 6.184 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)sc2c1CCCC2 20456674 PEPLLBHAORKQRV-MRXNPFEDSA-N 415.555 5.135 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3cc(C)cc(C)c3C)ccc21 20492427 PUWLKNUMBDZYRL-LJQANCHMSA-N 400.522 6.146 0 40 HKAB Cc1ccc2c(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)cccc2n1 21595974 LSQUGNZELUZCIF-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1ccc(F)c(Cl)c1 22072348 YADVZUJIYBPDMV-UHFFFAOYSA-N 420.669 5.633 0 40 HKAB CCOc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1ccccc1Cl 22075371 ZGEZJSSJMQOZGU-JOCHJYFZSA-N 411.929 5.141 0 40 HKAB CCC(=O)Nc1ccc([C@H](C)NCc2ccc(-c3nc4ccccc4s3)o2)cc1 30641073 KXWDNWVFIWBIKE-HNNXBMFYSA-N 405.523 5.756 0 40 HKAB Cc1ccc(S(=O)(=O)c2ccc(CSc3nncc4ccccc34)cc2)cc1 32331897 BQYFHXBNMBPTLL-UHFFFAOYSA-N 406.532 5.063 0 40 HKAB CC(C)c1ccc(CN2CCCC[C@@H]2C[C@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 57774802 CGJGZEUKMNJJMJ-NOZRDPDXSA-N 421.629 5.853 0 40 HKAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2C(F)(F)F)cc1 72328998 UJMUDCLOGCWSJA-UHFFFAOYSA-N 417.431 5.204 0 40 HKAB C[C@@H](CCc1ccccc1)Nc1c(C(=O)N2CCCCC2)cnc2ccc(F)cc12 95471192 DVOSZOANOBBOTC-SFHVURJKSA-N 405.517 5.433 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 96023507 JQMQKOQOLPGBBE-QWKSJQDTSA-N 402.663 6.648 0 40 HKAB in-vitro FC(F)(F)c1cccc([C@@H](NCc2cc(Cl)ccc2Cl)c2nc[nH]n2)c1 97162204 VTDRUWMKWQUAAJ-OAHLLOKOSA-N 401.219 5.010 0 40 HKAB CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@H]1c1ccco1 100429246 YHEYBFZIYBBNIO-HFJWLAOPSA-N 412.489 6.240 0 40 HKAB Cc1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4Cl)CC(O)=C32)cc1 102532679 FBOJNTQXPUKHBD-HFJWLAOPSA-N 414.936 7.277 0 40 HKAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 214766950 SWNKXCZFGOJBOS-RQZCQDPDSA-N 422.289 5.155 0 40 HKAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1Br 218827208 SHTCQRWNYRQZPI-UHFFFAOYSA-N 424.294 5.006 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=O)c1cccc(OCc3ccccc3)c1)CC(C)(C)O2 218979271 CHDYLXYFEQSGJE-HSZRJFAPSA-N 417.505 5.306 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccccc1Oc1ccccc1 222721458 AGADJCFVHLLTJI-UHFFFAOYSA-N 418.345 6.658 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1C1CCCCC1 223106400 DYFHKGPZHBQMHA-GOTSBHOMSA-N 402.567 5.178 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)NC(C)(C)C)cc1 223262071 FLSRSHHOPPAGON-XMMPIXPASA-N 422.613 5.212 0 40 HKAB COc1ccc(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)cc1C 224479957 TYAYIJJRZUHHOB-UHFFFAOYSA-N 411.885 5.639 0 40 HKAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccccc1Sc1ccccc1 224841862 UFLAWPAJPGTJDG-UHFFFAOYSA-N 400.503 6.064 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1CN1CCCCC1 224849878 FJWBUAJYSNVIBM-RUZDIDTESA-N 422.613 5.444 0 40 HKAB Cc1ccc(CSCCNC(=S)Nc2ccc(Br)c(C)c2)cc1 225292840 OGWPVQLRRVFFQD-UHFFFAOYSA-N 409.418 5.286 0 40 HKAB Cc1cc(N)c(NC(=O)c2cccc(Br)c2)cc1N1[C@H](C)CCC[C@H]1C 226330325 DOQPKRQYPWJZPU-HUUCEWRRSA-N 416.363 5.359 0 40 HKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260814646 LXMSGLSANCIWIF-YKSBVNFPSA-N 404.595 5.254 0 40 HKAB COc1cccc(C(=S)NCc2ccc(C)cc2)c1OCc1ccccc1Cl 408573793 KNSMPZDXGPNXIR-UHFFFAOYSA-N 411.954 5.701 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccccc1C(F)(F)F)N2 408996811 NEWGNOKRFFDPQQ-COPCDDAFSA-N 409.407 5.875 0 40 HKAB Cc1cc(NC(=O)CSCc2c(Cl)cccc2Cl)ccc1Br 409171418 AYPBISBQARZAEW-UHFFFAOYSA-N 419.171 5.936 0 40 HKAB CC(C)(C)c1ccc(Oc2coc3cc(OC(=O)c4ccco4)ccc3c2=O)cc1 945145 PQOIZKRMIKEMJD-UHFFFAOYSA-N 404.418 5.695 0 40 HKAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc(Cl)cc1Cl)CO3 2113223 GGBSENOARZCZHA-UHFFFAOYSA-N 424.283 6.123 0 40 HKAB COc1ccc(C(=O)c2sc(Nc3ccc(Cl)cc3)nc2-c2ccccc2)cc1 2184672 VDBUJCIHHZHJIN-UHFFFAOYSA-N 420.921 6.447 0 40 HKAB CS(=O)(=O)c1ccc(Sc2ccccc2F)c(Sc2ccccc2F)c1 2187322 FQBAFTLMMFDKEJ-UHFFFAOYSA-N 408.516 5.671 0 40 HKAB CP(=O)(O[C@H](c1ccccc1)C(F)(F)F)O[C@H](c1ccccc1)C(F)(F)F 2219724 SAJRACRBCCSRNH-HUUCEWRRSA-N 412.266 6.450 0 40 HKAB CCSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCCC4 2335926 VARDUCUILDSPPT-UHFFFAOYSA-N 412.609 5.622 0 40 HKAB CCN(CC)c1ccc(N2C(C(C)=O)=NN(c3ccccc3)[C@@H]2c2cccs2)cc1 2336338 GDWFDWSGXBBQTQ-XMMPIXPASA-N 418.566 5.522 0 40 HKAB CC[C@](C)(CCNC(=O)C[C@H](c1ccc(OC(C)C)cc1)C(C)C)c1ccccc1 2370745 GZOKPKAHBBDHGC-AHKZPQOWSA-N 409.614 6.478 0 40 HKAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cc(C)ccc2C)o1 2386568 NIMCOMNKDCCMBJ-PBHICJAKSA-N 405.564 5.591 0 40 HKAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SC/C=C/c2ccccc2)o1 2388026 YEGQVJSGHRYIDS-VZXWGBOOSA-N 403.548 5.487 0 40 HKAB CCC(CC)COC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 2396851 SXZYKZBQVDEKSH-UHFFFAOYSA-N 420.557 5.650 0 40 HKAB COc1ccc(-c2c3c4n(c(-c5ccc(F)cc5)cn4c2C(C)=O)CCCC3)cc1 2400873 JMOHESBVFBBKCL-UHFFFAOYSA-N 402.469 5.761 0 40 HKAB COc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4ccccc4F)cc2-3)cc1 2690096 VRCKNQCAACNELL-UHFFFAOYSA-N 413.452 5.408 0 40 HKAB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)COc1ccc(C)cc1C 2889778 DLBVQXMQLPVWJC-UHFFFAOYSA-N 423.534 5.453 0 40 HKAB O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cccc(Br)c1 2961339 GHTFEHGPXKQTBD-UHFFFAOYSA-N 410.296 5.373 0 40 HKAB CCCCC1CCC(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CSC3)CC1 3008098 SMSXYMXMGOTVEY-UHFFFAOYSA-N 401.551 5.693 0 40 HKAB O=C1OC(c2cccc(OC(F)F)c2)=N/C1=C\c1cccc(OCc2ccccc2)c1 3248330 VOBMFGYRPIXQEF-BKUYFWCQSA-N 421.399 5.212 0 40 HKAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(-c2cccs2)nc2ccccc12 3269557 APSKCQXXHQQILL-UHFFFAOYSA-N 415.518 5.052 0 40 HKAB Cn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccc(Cl)cc1 3336092 FIHQOSARDXGQBK-UHFFFAOYSA-N 418.309 5.131 0 40 HKAB O=C(Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)c1cc2ccccc2o1 3340337 GGBMREFTFHEIBT-UHFFFAOYSA-N 402.519 6.856 0 40 HKAB CC(C)(C)c1ccc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)cc1 3351818 CXTFUBOZHQHULT-UHFFFAOYSA-N 415.609 5.692 0 40 HKAB COc1ccccc1C(=O)NCCn1cc(SCc2ccccc2)c2ccccc21 4059810 RTPSGLXJBRPSQU-UHFFFAOYSA-N 416.546 5.372 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@@H]2[C@H](C)CCC(=O)O)C1 4073861 JBALICPRCDQXRA-MUNVUMHYSA-N 416.602 5.998 0 40 HKAB biogenic O=C(Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1)C1CCCCC1 4078244 JDSBAEFCYDYXMX-UHFFFAOYSA-N 401.479 5.368 0 40 HKAB C[C@@H](CC(=O)NCCc1ccccc1)CC(=O)N(c1ccccc1)c1ccccc1 4700779 OTAZHBFIZQEBFK-NRFANRHFSA-N 400.522 5.127 0 40 HKAB CCc1cc2ccc(C)c(C)c2nc1SCC(=O)Nc1ccc(NC(C)=O)cc1 4849416 PJPRTSIOXWSVBQ-UHFFFAOYSA-N 407.539 5.103 0 40 HKAB CCOc1ccc([C@@H]2c3c(-c4ccc(F)cc4)n[nH]c3C(=O)N2c2ccccc2)cc1 4955055 CHZKWVBRWRDWRN-XMMPIXPASA-N 413.452 5.364 0 40 HKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(Cl)cc1)c1ccccc1F 5266755 FNXRIQNEQANYPJ-UHFFFAOYSA-N 409.869 5.973 0 40 HKAB O=C(c1cccc(Cl)c1)n1ccc(-c2ccccc2OCc2ccc(F)cc2)n1 6222519 HMAAXAKWMVICEJ-UHFFFAOYSA-N 406.844 5.610 0 40 HKAB O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)Nc1cccc2ccccc12 6423384 DNBGZZXQQPKUHO-UHFFFAOYSA-N 410.517 6.196 0 40 HKAB COc1c(C)cccc1C(=O)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 6479193 YMXVVULOCYSKAC-UHFFFAOYSA-N 408.457 6.217 0 40 HKAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CCCc2ccccc21 6651426 PPGMPUVVZBPHDB-UHFFFAOYSA-N 423.516 5.200 0 40 HKAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(C)c(Cl)c3)c3ccccc3C2=O)cc1C 6713986 URLUSCZUQCSNCF-HMAPJEAMSA-N 416.908 5.905 0 40 HKAB COc1ccc([C@@H](NC(=O)Cc2c(C)nc3ccccc3c2C)c2ccccc2)cc1 6821742 NAQRTWWQXNHMSV-MHZLTWQESA-N 410.517 5.309 0 40 HKAB CCc1cccc2c(C(=O)[C@@H](Sc3nnc(C4CC4)o3)c3ccccc3)c[nH]c12 7289696 XEXYEXQEIALLBV-NRFANRHFSA-N 403.507 5.707 0 40 HKAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 7475126 MOEKAQKNEQPMIP-UHFFFAOYSA-N 400.482 5.249 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 8007708 ZJACCKJHIGTXRT-UHFFFAOYSA-N 404.853 5.923 0 40 HKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2C)c1 8041758 WTCWNALIMJOSNW-HXUWFJFHSA-N 405.563 6.310 0 40 HKAB Cc1nc2ccc(C(=O)N3CCc4sccc4[C@@H]3c3cccs3)cc2nc1C 8327232 NZRZQUVOKGUJLL-OAQYLSRUSA-N 405.548 5.158 0 40 HKAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C(C)C 8500026 ZAGXISJJPHPWGU-UHFFFAOYSA-N 407.841 5.292 0 40 HKAB COc1ccc(CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@@H]2C)cc1F 8747883 VFLIVQZSQIUFOC-KXBFYZLASA-N 412.534 5.531 0 40 HKAB Cc1ccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 10697115 DCQAUJAXZXOOIZ-UHFFFAOYSA-N 418.587 6.393 0 40 HKAB CCOc1ccc(C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)cc1OCC 12575803 JETFLYPAOCAAPM-UHFFFAOYSA-N 410.539 5.785 0 40 HKAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 12650673 QMQXJMAHLPOFBN-HDICACEKSA-N 424.566 5.012 0 40 HKAB CC(C)n1c(-c2ccc(Cl)cc2Cl)nn(CN(C)Cc2ccccc2)c1=S 13070700 IWKIVBMHZFBJJG-UHFFFAOYSA-N 421.397 6.058 0 40 HKAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccccc1SCc1ccccc1F 13100934 GVKCQLIPDGCDDG-UHFFFAOYSA-N 420.534 6.494 0 40 HKAB O=C(Nc1sc(NC(=O)c2cccs2)nc1-c1cccs1)c1ccco1 13552310 UPYBVLSKZZDGCL-UHFFFAOYSA-N 401.494 5.031 0 40 HKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 13710567 PPJBUJUPHCUHSU-WXLHYIFQSA-N 403.566 6.177 0 40 HKAB Cc1nn2c3c(nnc2c1-c1ccc(Cl)cc1)C(=O)C[C@H](c1cccc(Cl)c1)C3 14164755 ZKRHUSYYUWJKQX-OAHLLOKOSA-N 423.303 5.319 0 40 HKAB Cc1nc(COc2ccc(/C=C/C(=O)N[C@H](C)c3ccc(F)c(F)c3)cc2)cs1 14420239 WCFWFCYRFKJROV-AZWQULSGSA-N 414.477 5.199 0 40 HKAB Brc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)o1 15016186 FNXJOKNQOLXZFP-SCLBCKFNSA-N 401.285 5.346 0 40 HKAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c(C)c1 16285041 VMZHCLZRLMRZMA-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB CC[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1)C(=O)OC 16757677 ZYFBSKQHWKUEPK-FQEVSTJZSA-N 417.534 5.440 0 40 HKAB CCc1nn2c(c1-c1ccc(OC)cc1)N=C(C)C[C@@H]2c1ccc(OC)c(OC)c1 17083180 GDNHACTWVSVDFA-HXUWFJFHSA-N 405.498 5.224 0 40 HKAB CC(C)C[C@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccccc1 18131239 YDGHBEFJQZMBST-IBGZPJMESA-N 404.539 5.063 0 40 HKAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@H](c3cc(F)ccc3F)N1CC2 19550719 AZEUVOQCEXPIMD-RPWUZVMVSA-N 408.448 5.054 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)CSCc1ccc(F)cc1 20047023 ZYRYNJCHONZGKT-UHFFFAOYSA-N 411.567 6.298 0 40 HKAB c1ccc(C(c2ccccc2)N2CCN(c3ncnc4c3[nH]c3ccccc34)CC2)cc1 20840401 DDSNVSFUIHQPOI-UHFFFAOYSA-N 419.532 5.023 0 40 HKAB c1ccc(Nc2nc(CN3CCN(Cc4cccc5ccccc45)CC3)cs2)cc1 22927834 PBHLMQOJFSJOTL-UHFFFAOYSA-N 414.578 5.358 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc(Br)o3)ns2)cc1 28405295 COAALBJILDCMGJ-UHFFFAOYSA-N 406.305 5.110 0 40 HKAB O=C(Nc1ccc(Cl)cc1)N(Cc1nc2n(n1)CCCCC2)c1cccc(F)c1 28527807 KEXXYNFQQWXZBG-UHFFFAOYSA-N 413.884 5.036 0 40 HKAB Cc1sc2nc(-c3cccs3)nc(Oc3cccc(-c4nnco4)c3)c2c1C 30519769 LOVQAVJRXQVOQX-UHFFFAOYSA-N 406.492 5.879 0 40 HKAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cc2c(s1)-c1ccccc1CC2 32895237 IKRVBWUKRVYCRM-UHFFFAOYSA-N 423.488 5.531 0 40 HKAB CC1(C)SC(=S)N(Cc2ccccc2)[C@H]1N(O)C(=O)Nc1cccc(Cl)c1 36201720 JFMAHYPOVHLMBU-INIZCTEOSA-N 421.975 5.202 0 40 HKAB CCO/C=C1\SC(=O)N=C1N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 36633803 SXNNLRQIFUGNPP-UZNZLNSGSA-N 411.914 5.634 0 40 HKAB C[C@H](NC(=O)N[C@H](C)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 40024133 MLHIQBUEWOIWTO-TXEJJXNPSA-N 404.354 5.846 0 40 HKAB Cn1cnc(-c2ccccc2)c1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 58152953 NNOIIFROGPFYBW-UHFFFAOYSA-N 411.383 5.618 0 40 HKAB O=C(c1csc(-c2ccccc2F)n1)N1CCC(Nc2ccccc2Cl)CC1 60339577 HEHDNOQXZVREOG-UHFFFAOYSA-N 415.921 5.319 0 40 HKAB Cc1cccc(-c2noc(-c3nn(-c4ccc(C)c(C)c4)c(=O)c4ccccc34)n2)c1 64950017 WGEICSJURURDGV-UHFFFAOYSA-N 408.461 5.028 0 40 HKAB COc1ccccc1Oc1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 65568020 IKPLXFNZDOMPRS-UHFFFAOYSA-N 423.468 6.364 0 40 HKAB CCOc1cccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)c1 67288455 JBSJFNRMETWTKH-UHFFFAOYSA-N 407.489 5.011 0 40 HKAB COc1ccc2oc(/C=C/C(=O)Nc3ncc(Cc4cc(C)cc(C)c4)s3)cc2c1 67339536 SNRDGFQMQDXFSH-FNORWQNLSA-N 418.518 5.757 0 40 HKAB Cc1cccc(NC(=O)N2CCC[C@H](C(=O)N[C@@H](C)c3ccc4ccccc4c3)C2)c1 70039799 PLQHKAOQFNGCLA-CVDCTZTESA-N 415.537 5.270 0 40 HKAB CC(C)(C)c1ccc(COC(=O)c2cccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2)cc1 100391484 RPMSVUMJKUKXQA-FGZHOGPDSA-N 419.521 5.021 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](Oc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 118927546 LUZSRGCUNDRXTQ-JHIFLRRCSA-N 408.582 6.329 0 40 HKAB O=C(NCCSCc1ccccc1Cl)c1cccc(OCc2ccccc2)c1 218975875 RWLXDOHYSZBXJS-UHFFFAOYSA-N 411.954 5.582 0 40 HKAB COc1ccc(-c2nnc(NC(=O)CC(c3ccccc3)c3ccccc3)s2)cc1 222793201 UGWSVBPPPHOHPX-UHFFFAOYSA-N 415.518 5.374 0 40 HKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2ccccc2)c1C 222988697 FDEHRSZWUXVJNC-DNQXCXABSA-N 418.610 5.570 0 40 HKAB Cc1ccc(CCC(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C 223430364 PSHJMTVBKPYWEM-UHFFFAOYSA-N 405.542 5.242 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 223666233 QETBCDAUEBVXES-BJKOFHAPSA-N 417.549 6.196 0 40 HKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)c1 224527007 ANQMBCSMJXSHQO-XZOQPEGZSA-N 418.566 5.184 0 40 HKAB CCN(CC)CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1 225510069 OUSHJLSAYKGQRL-UHFFFAOYSA-N 408.586 5.556 0 40 HKAB CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(F)c(Cl)c2)C1 257324379 WOLOFOMKBASNCK-ZVDOUQERSA-N 410.316 6.010 0 40 HKAB CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)c1ccc(F)cc1 408595178 KZEGHWAOTFHFJV-UHFFFAOYSA-N 421.497 5.144 0 40 HKAB CCc1cccc(C)c1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 408621294 LHPVUDJZWNERSY-CSKARUKUSA-N 400.305 6.776 0 40 HKAB CCCc1nc(S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)O)n[nH]1 408630822 CYUAHHVYWLZMDR-DHDCSXOGSA-N 424.309 5.542 0 40 HKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccccc2Cl)nc1-c1ccccc1 408700029 YPTVWPXHVWWMNY-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3OCc3ccccc3)S2)cc1 408785217 UWERPUPUSWWDIU-ZDQFFALBSA-N 416.546 5.428 0 40 HKAB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\C=C\c2ccccc2)C1=O 408804989 IDKMPERIGZFGSB-SAMUQXIJSA-N 403.571 6.297 0 40 HKAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2cccc(F)c2)cc1 409032426 JKTWONCFVKVHRK-JCMHNJIXSA-N 418.493 5.009 0 40 HKAB CCc1sc2nc(SCc3cccc(C)c3)n(-c3ccc(C)cc3)c(=O)c2c1C 409116383 MHVOKMOTENFMAF-UHFFFAOYSA-N 420.603 6.227 0 40 HKAB O=C(c1ccco1)n1nc(Nc2ccccc2Cl)cc1Nc1ccccc1Cl 575442920 IQLDYRJHIJBKOL-UHFFFAOYSA-N 413.264 5.959 0 40 HKAB CCC(=O)N(c1cccc(Br)c1)c1nc(-c2ccccc2)c(C)s1 643407 KZBWYUJMAANOHW-UHFFFAOYSA-N 401.329 5.956 0 40 HKAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Nc1ccc(OC)cc1OC 955742 PDNURBLYAHKCTL-UHFFFAOYSA-N 420.387 5.191 0 40 HKAB CC(C)OC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)coc2c1 1770136 SGUMMDLJTKJHHQ-INIZCTEOSA-N 424.493 5.602 0 40 HKAB Cc1ccc(-n2sc3c(c2=S)-c2cc(Br)ccc2NC3(C)C)cc1 2057319 BVTUVWVTPNJDNW-UHFFFAOYSA-N 417.397 6.667 0 40 HKAB O=c1oc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1-c1ccccc1 2576848 QUPOGMPDCHVBKC-UHFFFAOYSA-N 411.682 6.543 0 40 HKAB biogenic CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CC[C@H](C)C3)cc1 2744901 BNPMXJHCSHKQSY-AWEZNQCLSA-N 401.528 5.089 0 40 HKAB CCCc1nc2c(c(-c3ccccc3)nn2-c2ccccc2)c2cc(OC)c(OC)cc12 3209348 BXLLZPQLMMAEDP-UHFFFAOYSA-N 423.516 6.210 0 40 HKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1 3226806 GIJWLVRSXDYVDW-UHFFFAOYSA-N 416.521 5.348 0 40 HKAB CCCc1nc2ccccc2c(C(=O)OC(c2ccccc2)c2ccccc2)c1CC 3441824 HWKMPXHQRVVQSG-UHFFFAOYSA-N 409.529 6.696 0 40 HKAB CCOc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1 4222995 LXDGMLFEJRPFLQ-DZKAJJGSSA-N 419.609 6.359 0 40 HKAB Cc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccncc2)cc1C 4491089 LKGRYBSHMSVEAW-UHFFFAOYSA-N 406.942 5.892 0 40 HKAB O=C(COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 4680490 VUHPOCZEVZSABQ-UHFFFAOYSA-N 402.343 5.551 0 40 HKAB CCC(C)(C)c1ccc(Oc2nc(-c3cccc(OC)c3O)nc3ccccc23)cc1 5557168 KLAXSACKZSPKNZ-UHFFFAOYSA-N 414.505 6.491 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](N)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5758829 WLHQSAYHIOPMMJ-RVOWOUOISA-N 401.679 6.326 0 40 HKAB in-vitro O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cc(Cl)cc(Cl)c1 6078821 WFHSBOPCVXDJQF-UHFFFAOYSA-N 410.351 5.218 0 40 HKAB O=C(Nc1ccc2ccccc2c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6147285 ZDFOLQPVWGTXMS-UHFFFAOYSA-N 420.465 5.032 0 40 HKAB CCCCCC(=O)NC(=S)Nc1cccc(-c2nc3cc([C@H](C)CC)ccc3o2)c1 6240710 LSAOSHZJCINJMO-MRXNPFEDSA-N 423.582 6.402 0 40 HKAB CC[C@H](C)c1nc2ccc(Br)cc2c(=O)n1/N=C/C(C)=C/c1ccco1 6356068 DMXFRVJEMCBQNN-UDRDZTBKSA-N 414.303 5.203 0 40 HKAB O=C1/C(=C/Nc2ccccc2Cl)c2ccccc2C(=O)N1c1ccccc1Cl 6455172 BTRVXCGWHRJVRV-DTQAZKPQSA-N 409.272 5.633 0 40 HKAB Cc1cc(Br)ccc1SCC(=O)NCCCn1ccc2ccccc21 6650805 VHSMKAZFERDFJJ-UHFFFAOYSA-N 417.372 5.011 0 40 HKAB Cc1ccc(C)c(Cn2c(CCCNC(=O)C3CCCCC3)nc3ccccc32)c1 6752603 ORDSVNGLCOGWFX-UHFFFAOYSA-N 403.570 5.331 0 40 HKAB O=C(c1ccccc1Br)N(Cc1cccc(Cl)c1)Cc1ccco1 6810644 RLERDWCMAMARPI-UHFFFAOYSA-N 404.691 5.538 0 40 HKAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1nnc(-c2ccccc2)o1 8186735 CPCQOTOZBBKRSA-CYBMUJFWSA-N 407.474 5.322 0 40 HKAB Fc1ccc(-c2nnc(SCc3c(F)cccc3Cl)n2C[C@H]2CCCO2)cc1 9219024 JPXWLESTZXWCFR-OAHLLOKOSA-N 421.900 5.348 0 40 HKAB O=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1C(F)(F)F 9367492 JESCTCQPDHESJC-UHFFFAOYSA-N 418.396 5.314 0 40 HKAB Cc1ccc(C)c(CSc2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)c1 9600017 NLJAFEMQJFHKQX-UHFFFAOYSA-N 424.378 6.006 0 40 HKAB Cc1ccc(N(C(=O)[C@H]2COc3ccccc3O2)c2nc3ccccc3s2)cc1F 9737911 XHIIVQLRYLZNIZ-HXUWFJFHSA-N 420.465 5.249 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c1 10120144 QGNPXNKRVXXIIY-UHFFFAOYSA-N 414.505 5.868 0 40 HKAB CCCCc1ccc(NC(=O)C(CCCC)C(=O)Nc2ccc(CCCC)cc2)cc1 12410933 HLKDUNUZJJFRDM-UHFFFAOYSA-N 422.613 6.755 0 40 HKAB CC[C@@H](C(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1Cl)c1ccccc1 12441262 HJYZEJDBQAQLRO-QGZVFWFLSA-N 420.900 5.191 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)c1cc2sccc2n1Cc1ccccc1 13083062 IVVIRRZEKQETRX-UHFFFAOYSA-N 422.553 6.271 0 40 HKAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OCCC(C)C)c1 16751988 BVMZFSYEUUXDEF-HSZRJFAPSA-N 419.521 5.563 0 40 HKAB CCCCn1nc(NC(=O)c2ccc(OCC)cc2)c2cc3cc(C)ccc3nc21 16955933 UNNADXOJOQCSAY-UHFFFAOYSA-N 402.498 5.344 0 40 HKAB CC(C)C(=O)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 19085668 GSCDRSQZBDWIAC-OAQYLSRUSA-N 419.504 5.131 0 40 HKAB Cc1cc(C)c(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c(Cl)c1 20144411 GKACTRIIMNIJMP-UHFFFAOYSA-N 420.292 5.380 0 40 HKAB COc1ccc(C(=O)N2CN([C@@H](C)c3ccccc3)Cc3c2sc(C)c3C)cc1 20218817 QJXANYIGWNTASY-KRWDZBQOSA-N 406.551 5.555 0 40 HKAB Cc1cccc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 20411299 SEASALCOTSOMCF-UHFFFAOYSA-N 400.478 5.944 0 40 HKAB CC[C@H](C)Oc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)c1 21580719 JULRZJGOZVMAFG-INIZCTEOSA-N 415.493 5.668 0 40 HKAB COc1ccc(NC2=C[C@H](c3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 21775453 OEKDYECETQFWRX-XMMPIXPASA-N 400.478 5.096 0 40 HKAB Cc1occc1-c1nnc(Sc2ncnc3scc(-c4ccc(F)cc4)c23)n1C 22060590 BOEWRAZTZKPHKO-UHFFFAOYSA-N 423.498 5.346 0 40 HKAB CC(C)c1ccc([C@@H](NC(=O)C[C@H](C)NC(=O)c2ccccc2)c2cccs2)cc1 22542343 WIHIKVQYFCURDT-MHECFPHRSA-N 420.578 5.286 0 40 HKAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1 24861867 TZXFAHZNUHDWAG-UHFFFAOYSA-N 424.464 5.117 0 40 HKAB Cc1nc(-c2ccc(Oc3ncnc4scc(-c5ccc(F)cc5)c34)cc2)no1 26227219 NKDYGEAADJKFDQ-UHFFFAOYSA-N 404.426 5.648 0 40 HKAB CCCCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)cc1 27583782 KUJZSLAOKDKZMW-QFIPXVFZSA-N 400.950 5.086 0 40 HKAB CC1=C[C@@H](CNCc2ccco2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 30883405 NTZNHDRFYLVBMV-IPJJNNNSSA-N 423.532 5.656 0 40 HKAB biogenic,in-vitro O=C(Nc1ccc(C(=O)Nc2ccccc2N2CCCCCC2)s1)c1ccco1 31097931 DWHGEFXEXXWXJK-UHFFFAOYSA-N 409.511 5.226 0 40 HKAB COc1ccc2nc(N(Cc3ccccc3)C(=O)CCc3c(C)noc3C)sc2c1 32674394 GYEWPYSAIPZCLH-UHFFFAOYSA-N 421.522 5.076 0 40 HKAB Cc1ccc(CNC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc23)cc1 32985795 ZEGFIFAVQXFXNE-UHFFFAOYSA-N 400.453 5.045 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc(Oc2nccnc2N2CCCCC2)cc1 33170770 BBVWWAMMSXJALC-UHFFFAOYSA-N 408.889 5.165 0 40 HKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(F)c(Cl)c3)o2)cc1C 33659058 BAYLYKGQWRILFW-UHFFFAOYSA-N 402.878 5.483 0 40 HKAB O=C([C@@H]1CCCN(Cc2ccccc2Cl)C1)N1CCC(Cc2ccccc2)CC1 38850857 YEVVJHPXJRCLNJ-HSZRJFAPSA-N 410.989 5.033 0 40 HKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@H]1c1ccncc1 43193465 BXINOSMBOMEJHZ-HNNXBMFYSA-N 403.326 5.488 0 40 HKAB CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Cl)c(C(F)(F)F)c1 47157901 AHLWUCSYCXKOFG-UHFFFAOYSA-N 409.795 5.531 0 40 HKAB CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2cccs2)cc1 67259495 INRBOFGZCJKZDJ-UHFFFAOYSA-N 420.603 6.096 0 40 HKAB O=c1c(Cl)c(N[C@H]2CCc3ccccc32)cnn1-c1cccc(C(F)(F)F)c1 71810538 DIMFOGLPYSNLPP-INIZCTEOSA-N 405.807 5.004 0 40 HKAB COc1cc(/C=C/c2nc3ccccc3c(C(=O)O)c2C)cc(OC)c1OC(F)F 89556212 QEHODDSQBPRDHV-CMDGGOBGSA-N 415.392 5.030 0 40 HKAB Cc1c(-c2nnc3sc(C(c4ccccc4)c4ccccc4)nn23)oc2ccccc12 96194287 QYNFEWRHZSHPEB-UHFFFAOYSA-N 422.513 6.088 0 40 HKAB CCOc1ccc(/C=C2\SC(=O)N(CNc3ccc(C)c(Cl)c3)C2=O)cc1 103322285 KDFPVILOKQPCPA-ZDLGFXPLSA-N 402.903 5.153 0 40 HKAB O=C1C(Nc2ccccc2)=C[C@H](c2cccc(Br)c2)N1c1ccccc1 103753461 KQIFUFRWNRGQTP-OAQYLSRUSA-N 405.295 5.533 0 40 HKAB COc1ccc([C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 113948864 MSUYBAIDGQHYRL-GOSISDBHSA-N 407.535 5.357 0 40 HKAB COc1cc(NC(=O)N2CCCC[C@H](c3ccc(Cl)cc3)C2)cc(OC)c1OC 206881345 ZBKAWWNLJBENSX-INIZCTEOSA-N 418.921 5.167 0 40 HKAB C[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc2c(c1)OCCO2 222700389 VWEYLKMWFJGUNK-INIZCTEOSA-N 423.896 5.181 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(I)cc2)c1 222784548 WWTGPAQDFKKFKM-AWEZNQCLSA-N 423.294 5.129 0 40 HKAB CC1CCN(Cc2ccc(C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)cc2)CC1 225160361 SRZNYRCZJZFOMK-UHFFFAOYSA-N 423.582 5.128 0 40 HKAB O=C(c1ccccc1F)N1CCS/C1=C/c1csc(NCc2ccccc2)n1 225256849 BIXIDFSJMGDLBW-XDHOZWIPSA-N 411.527 5.082 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)c2ccccc2O1 225331842 FYLHVSPFXDOWDF-XMSQKQJNSA-N 407.554 5.532 0 40 HKAB CCCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCCCC3)cc2)CCC[C@H](C)C1 225663950 VACMZFWGDKPIKW-OFVILXPXSA-N 416.606 5.255 0 40 HKAB O=C1CC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)Oc2ccc3ccccc3c21 225824420 FTWFPHTUXCPODC-UHFFFAOYSA-N 420.896 5.525 0 40 HKAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3cc4ccccc4o3)C2)o1 257218079 DBUNJILBBDISFK-IBGZPJMESA-N 416.477 5.040 0 40 HKAB CCc1s/c(=N\C(=O)c2ccccc2)n(CC)c1-c1ccc(Br)cc1 408562257 OKVDTWHRNRGKER-XDOYNYLZSA-N 415.356 5.303 0 40 HKAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCc1c(Cl)cccc1Cl 408577296 SGFDNANJZGKHBO-UHFFFAOYSA-N 424.393 6.133 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2cccc(C)c2)cc1 408693621 BBPCMXLSRORXPF-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(F)cc2)c(C)c1 408696826 CHSPEIMQNDYTAY-UHFFFAOYSA-N 404.420 5.082 0 40 HKAB CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)NC1=S 409083693 UGFQPKSPWCGAGW-ZDLGFXPLSA-N 421.349 5.040 0 40 HKAB O=C(COC(=O)c1cccc(Cl)c1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409213569 UVALFCCXMUNCOZ-UHFFFAOYSA-N 423.940 5.603 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1 409263115 HCJUNULYWNWSBK-UHFFFAOYSA-N 404.510 5.332 0 40 HKAB C[C@@H](NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)c1ccccc1 646572 KNWSMJIBSBKYNK-GFCCVEGCSA-N 423.485 5.193 0 40 HKAB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3cccc4ccccc34)n21 882848 WPXFCPYEZICAIB-UHFFFAOYSA-N 414.534 5.120 0 40 HKAB Nc1c(-c2ccsc2)cnn1-c1nc(-c2ccc(-c3ccccc3)cc2)cs1 1393561 MWQRYHMZNFXTQQ-UHFFFAOYSA-N 400.532 5.974 0 40 HKAB C[C@@H](NS(=O)(=O)c1cccc2cccc(Cl)c12)c1ccc(Br)cc1 1437240 VVWUBLBLFHIPPI-GFCCVEGCSA-N 424.747 5.295 0 40 HKAB CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@@H](C(C)(C)C)C3 2275502 DCILUCPPDQYRSA-MRXNPFEDSA-N 412.624 5.769 0 40 HKAB Cc1oc2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc2c1C(=O)OC(C)C 2281027 VUTBSDTYCBFVCT-UHFFFAOYSA-N 414.326 5.581 0 40 HKAB biogenic CC(=O)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccc(Cl)cc4)cn13)CCCC2 2308010 KZLPBCNJJLWLTR-UHFFFAOYSA-N 423.343 6.921 0 40 HKAB O=C(c1sc2c(Br)ccc(OC(F)F)c2c1Cl)N1CCCC1 2796737 PLNNAAWDMHEDQY-UHFFFAOYSA-N 410.667 5.155 0 40 HKAB Cc1ccccc1-n1c(SCc2nc3ccccc3s2)nnc1-c1cccnc1 3248096 UHBZXPOJABNGGN-UHFFFAOYSA-N 415.547 5.540 0 40 HKAB CC(C)[C@H](C(=O)Nc1ccc(I)cc1)c1ccc(Cl)cc1 3375304 COPZIPBUEMRNOJ-INIZCTEOSA-N 413.686 5.323 0 40 HKAB CCC(=O)N(CC[C@@H](c1ccc(OC)cc1)C(C)C)Cc1ccc(OC(C)C)cc1 4043231 FMZJNQNGADLNRV-RUZDIDTESA-N 411.586 6.051 0 40 HKAB biogenic CC[C@H](C)Sc1nnc(NC(=O)c2cc(Br)ccc2Cl)s1 4079428 VDUZNPMMWKRZDB-ZETCQYMHSA-N 406.758 5.097 0 40 HKAB CCOC(=O)c1c(C)n(-c2cc(Cl)cc(Cl)c2)c2c1cc(O)c1ccccc12 4618882 CGCHKMMREGOINC-UHFFFAOYSA-N 414.288 6.281 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Br)cc2)N3)C1 4867065 XLYPUQFFIYCJCF-SJCJKPOMSA-N 419.388 5.516 0 40 HKAB C[C@@H]1CCc2c(oc3c2cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc23)C1 5214464 HEUWPOQJZDZZEA-CQSZACIVSA-N 409.482 5.651 0 40 HKAB CSc1nc(NC2CCCCC2)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 5215906 PTMMANVUDQQIGM-UHFFFAOYSA-N 412.628 6.318 0 40 HKAB CC(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 5254503 AIBDQQPNJGKKKO-BKMJKUGQSA-N 412.489 5.781 0 40 HKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(F)cc1)c1ccccc1Cl 5348258 IDLMPBDGAVMALP-UHFFFAOYSA-N 409.869 5.973 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 6215308 UNFWVGJJDSNJSD-UHFFFAOYSA-N 407.300 6.769 0 40 HKAB COc1cc(CN(C)C(=O)/C=C/c2ccc(Cl)c(Cl)c2)ccc1OC(F)F 6507967 URBKPZRRFWIKKC-VMPITWQZSA-N 416.251 5.275 0 40 HKAB Cc1ccc(Cn2cc(C(=O)N[C@@H](C)c3ccccn3)c(-c3ccc(C)cc3)n2)cc1 6822308 OQJDEBUEUHGLHP-FQEVSTJZSA-N 410.521 5.101 0 40 HKAB Cc1cc(C)c(NC(=O)COc2ccc(Cl)cc2Br)c(Cl)c1 7141422 CGVCGIVHKXRKTQ-UHFFFAOYSA-N 403.103 5.390 0 40 HKAB O=C(Oc1ccc2ccccc2c1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7928798 VLQTWJMFOVVRQL-HNNXBMFYSA-N 400.261 5.105 0 40 HKAB CCC[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 8133179 XQZSYNAUIXTOQK-HXUWFJFHSA-N 424.545 5.169 0 40 HKAB CCOc1cccc(CNCCc2ccc(OC)c(OC)c2)c1OCc1ccccc1 8325506 WTOLVJFEOJBDLN-UHFFFAOYSA-N 421.537 5.014 0 40 HKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccccc1OCc1c(C)noc1C 8726979 IXIQAXYQQJEXAQ-UHFFFAOYSA-N 408.498 5.429 0 40 HKAB O=C(O)C/C(=C\c1ccc(-c2ccccc2Br)o1)c1nc2ccccc2o1 8825544 GXGYHDRGUBQODN-ACCUITESSA-N 424.250 5.866 0 40 HKAB Clc1ccc2nc(-c3ccc(Cl)s3)c(Nc3ccc4c(c3)OCCO4)n2c1 9289135 PJGRIVWCPYNKAG-UHFFFAOYSA-N 418.305 5.884 0 40 HKAB COc1cc(CN(C)C(=O)c2ccc3ncsc3c2)ccc1OCc1ccccc1 9502946 FGVOBIJMZAVVKQ-UHFFFAOYSA-N 418.518 5.156 0 40 HKAB C[C@H](NC(=O)c1ccc(NCCC(=O)c2ccc3ccccc3c2)cc1)c1ccccc1 12401940 GAJKSSYRPJHBHN-FQEVSTJZSA-N 422.528 6.016 0 40 HKAB CCOc1ccc(-c2nc(NC(=O)c3cccnc3SC(F)F)sc2C)cc1 13148906 GFZZBUBINXVWKY-UHFFFAOYSA-N 421.494 5.479 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)c1C 14405285 RTJYJIKQKZEREG-OUKQBFOZSA-N 422.554 5.266 0 40 HKAB Cc1cccc(Cc2cnc(NC(=O)C3=Cc4cc(Cl)ccc4OC=C3)s2)c1 15838544 KBHMIAQHURXDCA-UHFFFAOYSA-N 408.910 5.624 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)c(Cl)c1 17091302 VTMMDXKWKVNGIK-UHFFFAOYSA-N 418.143 5.191 0 40 HKAB O=c1[nH]c(-c2ccc(-c3cc(Cl)cc(Cl)c3)o2)nc2sc3c(c12)CCCC3 18137083 DWJQESUXZXBDDR-UHFFFAOYSA-N 417.317 6.097 0 40 HKAB COc1c(C)cccc1CN1CCC[C@@H](c2cc(C(F)F)c3c(C)noc3n2)C1 19235966 DTCHWHGNGDMTSV-OAHLLOKOSA-N 401.457 5.165 0 40 HKAB O=C(C1CC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc4ccccc34)CC[C@@H]21 19376384 SGCQNTCXTHVIKX-SDHOMARFSA-N 416.590 5.128 0 40 HKAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20038386 PUFWHATVTMVYBN-DEOSSOPVSA-N 402.494 5.619 0 40 HKAB Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3cnc4ccccc4c32)cc1Cl 21017282 OPBBRIRVVFTBHM-UHFFFAOYSA-N 404.300 6.856 0 40 HKAB S=c1[nH]nc(-c2ccccc2)n1NCc1cccc(OCc2ccc(Cl)cc2)c1 22110101 GRVNELIORKQWNU-UHFFFAOYSA-N 422.941 5.584 0 40 HKAB C[C@@H](Sc1nc2ccccc2o1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 23551868 HRHLXTKSUBEORU-GFCCVEGCSA-N 405.504 5.646 0 40 HKAB CC(C)Oc1ccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)cc1 27663885 ZZRGWZHRJDXSMP-JOCHJYFZSA-N 400.950 5.084 0 40 HKAB Cc1cc2c(=O)cc(C(=O)N(Cc3cccs3)c3ccccn3)oc2cc1Cl 27792928 IGHPCQIAHKUJJN-UHFFFAOYSA-N 410.882 5.058 0 40 HKAB CN(Cc1ccc(Cl)cc1)C(=O)COc1ccc2ccccc2c1Br 30870922 XERFTMLIFOBLIR-UHFFFAOYSA-N 418.718 5.293 0 40 HKAB Cc1ccc(C)c(N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)c1 35040622 MQAVKRSEVXBOIA-MHWRWJLKSA-N 404.354 5.472 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1cccnc1Nc1ccc(F)c(Cl)c1 40556516 UWOJFPKUJYFUJQ-UHFFFAOYSA-N 406.244 5.532 0 40 HKAB O=C(Nc1ccc(F)cc1Br)c1cc(-c2cccc3ccccc23)[nH]n1 44838201 AEHUPMSVOCSSTR-UHFFFAOYSA-N 410.246 5.384 0 40 HKAB O=C(NCCC1=CCCCC1)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078761 AOWFAKOLNDPOJR-UHFFFAOYSA-N 422.956 5.553 0 40 HKAB O=C(CSc1ccc(-c2ccc(C3CCCCC3)cc2)nn1)c1ccccc1Cl 57486342 OHNABXNUPQXOGT-UHFFFAOYSA-N 422.981 6.820 0 40 HKAB Cc1ccc(-c2csc3ncnc(N4CCC(NC(=O)OC(C)(C)C)CC4)c23)cc1 58407508 XLJSUFGVURYUEV-UHFFFAOYSA-N 424.570 5.160 0 40 HKAB Cc1cccc(NC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)c1C 67245147 DCUHRVXXCSEPQW-UHFFFAOYSA-N 406.938 6.728 0 40 HKAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c(Cl)c1 67294606 MKKRSRYKESFWBN-VYIQYICTSA-N 423.299 6.533 0 40 HKAB COc1ccc2oc(/C=C/C(=O)Nc3ncc(Cc4ccc(C)c(C)c4)s3)cc2c1 67339531 HVDLTPWBPLILTD-VQHVLOKHSA-N 418.518 5.757 0 40 HKAB COc1cc(Cl)ccc1-c1nnc(-c2cnc3onc(-c4ccccc4)c3c2)o1 71815229 QTVGEUMRBWRBCX-UHFFFAOYSA-N 404.813 5.269 0 40 HKAB CC(=O)N(c1ccc(C)cc1)c1nc(CN2C[C@H](C)O[C@H](c3ccccc3)C2)cs1 84150454 CMIZEQACXMKMKC-MBSDFSHPSA-N 421.566 5.098 0 40 HKAB CCCCCCc1cc(-c2sccc2CCCCCC)sc1Br 98177471 YKACHONIXJZHBI-UHFFFAOYSA-N 413.490 8.485 0 40 HKAB CC1(C)[C@@H]2CC[C@]1(C)c1c2c(C(=O)Nc2ccc3ccccc3c2)nn1-c1ccccc1 100715877 GKLCNHNCVRIBJJ-SKCUWOTOSA-N 421.544 6.453 0 40 HKAB CC1=C(C(=S)Nc2ccc(C)cc2)[C@@H](c2cccc3ccccc23)NC(=S)N1 100857993 FBABBUGYXRYIAE-OAQYLSRUSA-N 403.576 5.381 0 40 HKAB Cc1cc(C)c(N/C=C2/C(=O)N(c3cccc(Cl)c3)C(=O)c3ccccc32)c(C)c1 102982997 KTNPQPSHASJDHJ-HYARGMPZSA-N 416.908 5.905 0 40 HKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 106717615 WEYXFLKDYRFJPB-WQRHYEAKSA-N 422.333 6.019 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc3ccccc3c2)cc1 205614031 PCUYDCZAOXLERL-KQWNVCNZSA-N 412.514 5.619 0 40 HKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 222403397 ZQFXJURJMLLFNG-RUZDIDTESA-N 422.613 5.383 0 40 HKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccccc1 224522876 OBRLMWXIMCMLKL-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(F)cc3F)o2)cc1 224918831 MWSMCUJYICCLIO-UHFFFAOYSA-N 420.415 5.938 0 40 HKAB COc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)c1 224961587 CJGTVSJCILAWIW-UHFFFAOYSA-N 404.853 5.923 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1C1CCCC1 225010045 XNHGSOLUQKHEOD-VXKWHMMOSA-N 422.985 5.441 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225150945 JKINIBDWJHTZQN-QGZVFWFLSA-N 401.919 5.271 0 40 HKAB CCOc1cccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)c1 225342029 RLGDCXMTLGTGER-UHFFFAOYSA-N 415.411 5.612 0 40 HKAB Nc1cc(NC(=O)c2ccc(-c3ccc(Br)cc3Cl)o2)ccc1F 226765899 UMYWEMNTCKXODQ-UHFFFAOYSA-N 409.642 5.336 0 40 HKAB CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 248241032 BLQIUYJCPHQGEL-SEHKKCDASA-N 416.348 6.467 0 40 HKAB CCc1ccc(-c2nc3cc(NC(=O)c4c(OC)cccc4OC)ccc3o2)cc1 408624681 YWZHEOXIJQPWHE-UHFFFAOYSA-N 402.450 5.327 0 40 HKAB Cc1ccccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H](c2ccccc2)C=C[C@H]1c1ccccc1 408822331 LHAWQMOQFHESOM-HFOXQMJASA-N 411.501 5.388 0 40 HKAB CCOc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1 409114834 LLQFKBZETWUPIP-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB Cc1ccccc1OCc1nn(CC(=O)Nc2ccc(Cl)cc2Cl)c(=S)o1 409158044 XGZGNOUVCIYDQW-UHFFFAOYSA-N 424.309 5.039 0 40 HKAB O=C1S/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)N1c1cccc(Cl)c1 409214346 XBSPUFOPGMZMSN-GHRIWEEISA-N 402.903 5.554 0 40 HKAB O=C(CSc1ccc2ccccc2c1)Nc1ccc(Br)c2ccccc12 409412597 YIGUSXMEWABYSX-UHFFFAOYSA-N 422.347 6.486 0 40 HKAB O=C(C1CCCCC1)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 2037845905 HDTWPXKUSOGYJB-SFHVURJKSA-N 422.960 5.336 0 40 HKAB FC(F)(F)c1cc(-c2cccs2)nc2cc(-c3cccc(Br)c3)nn12 657236 UYHKHIWBWSHZEY-UHFFFAOYSA-N 424.245 5.906 0 40 HKAB COc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccncc2)cc1 664127 LDBVXXAZENIJBY-UHFFFAOYSA-N 424.529 5.783 0 40 HKAB Cc1ccc(-c2csc(N(C[C@@H]3CCCO3)C(=O)c3cccc(Cl)c3)n2)cc1 932704 POVXRRJBOYKOLL-IBGZPJMESA-N 412.942 5.598 0 40 HKAB Cc1cc(C)c(NC(=O)COc2cc(C)c(Br)cc2C(C)C)c(C)c1 955932 KHOMJAJTAQBAPO-UHFFFAOYSA-N 404.348 5.824 0 40 HKAB Cc1cccc2cc(CN(Cc3ccccc3)C(=S)Nc3ccccc3)c(=O)[nH]c12 1224246 ANDHZLUHUFDUAB-UHFFFAOYSA-N 413.546 5.236 0 40 HKAB Cc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccs1 1380102 KEKAUSMREANUGI-OAQYLSRUSA-N 408.523 5.096 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(Nc3ncc(C(F)(F)F)cc3Cl)n2)cc1 1386439 VMHHBPAIHCKBAU-UHFFFAOYSA-N 406.795 5.453 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)c1 1414011 HXAVFKPGLVKNPJ-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB CCCCSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@H](C(C)C)C4 1820166 IXXKQRBWEFLLPN-LBPRGKRZSA-N 408.618 5.050 0 40 HKAB C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1 2061866 NZXDIAGMPAJQAK-ZETCQYMHSA-N 413.515 6.360 0 40 HKAB CC(=O)Nc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1 2571075 UZVJZAGZGBYWFL-UHFFFAOYSA-N 401.491 6.304 0 40 HKAB Cc1ccc(-c2csc3ncnc(SCc4ccc(F)cc4Cl)c23)cc1 2637169 FQGMFNLGSMEROD-UHFFFAOYSA-N 400.931 6.752 0 40 HKAB Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2Cc2cccc3ccccc23)c1 2689217 AZHXCRJYJSYATF-UHFFFAOYSA-N 420.556 7.249 0 40 HKAB CCOC(=O)c1c(NC(=O)c2csc3c2CCCC3)sc2c1CC[C@H](C)C2 2708103 GFWCBOPBCCKRRT-LBPRGKRZSA-N 403.569 5.242 0 40 HKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)Nc1ccccc1C(N)=O 2764467 FVZZVPZSZOAWCA-UHFFFAOYSA-N 415.880 5.215 0 40 HKAB CCOc1ccccc1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2 2780018 XOABCYHZSJWXIX-CQSZACIVSA-N 401.528 5.089 0 40 HKAB Cc1c(NC(=O)c2sc3cc(OC(F)F)ccc3c2Cl)cccc1C(=O)O 2793926 JXFQYGROPYBJQA-UHFFFAOYSA-N 411.813 5.415 0 40 HKAB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccc(Cl)cc1 3130905 NQKCINHROVQYPE-UHFFFAOYSA-N 403.981 6.755 0 40 HKAB O=C(CCc1nc2ccccc2s1)O[C@@H](C(=O)c1ccccc1)c1ccccc1 3228976 HIUSMIRNJNIIMN-XMMPIXPASA-N 401.487 5.396 0 40 HKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1OCc1ccccc1 3297989 AOQQLZSZVYMHKT-HHHXNRCGSA-N 422.480 6.047 0 40 HKAB O=C1N/C(=C/c2ccc(Sc3ccccc3)cc2)C(=O)N1Cc1ccccc1F 3659050 PXCVJNRGNMFKAT-KGENOOAVSA-N 404.466 5.070 0 40 HKAB Cc1ccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 4240770 YSRDYPUOGNNEAT-XMMPIXPASA-N 416.521 5.031 0 40 HKAB Cc1ccc2ncc(C(=O)c3ccc(C)c(C)c3)c(S(=O)(=O)c3ccccc3)c2c1 4315542 MMSYZBPGPNMFDL-UHFFFAOYSA-N 415.514 5.224 0 40 HKAB CCCCCCN(CCCCCC)C[C@H](O)c1cc2c(c3ccccc13)CCCC2 4411123 VNEARXBVTVNPAZ-NDEPHWFRSA-N 409.658 7.215 0 40 HKAB CC(C)OC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CCCCC2 4628657 RBFDLNVRXGFLHR-UHFFFAOYSA-N 407.535 5.988 0 40 HKAB CCN(CC)c1ccc2c(c1)Oc1cc(Cl)c(N)cc1[C@]21OC(=O)c2ccccc21 4794655 YBCAVSHCIJYUHF-XMMPIXPASA-N 420.896 5.336 0 40 HKAB CCCCOP(=O)(OCCCC)OP(=O)(OCCCC)OCCCC 4802597 BFYHFSGFMZUISQ-UHFFFAOYSA-N 402.405 6.486 0 40 HKAB Cc1ccccc1C(=O)N(Cc1cc2cccc(C)c2nc1Cl)C1CCCCC1 4861343 XWVKTNPOILNKGV-UHFFFAOYSA-N 406.957 6.480 0 40 HKAB CCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C)cc4)c3c2c1 4970002 PYEPAZNCNKLSCE-UHFFFAOYSA-N 407.473 5.726 0 40 HKAB Cc1ccc(CNC(=O)CCc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)cc1 5235689 CEHHFLQMZKAKAP-UHFFFAOYSA-N 417.505 5.330 0 40 HKAB O=c1c2ccccc2c(-c2ccc(Cl)cc2)nn1-c1ccc(Br)cc1 5704869 FQDBPNNDKXBQKC-UHFFFAOYSA-N 411.686 5.469 0 40 HKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NCc1cccs1 5901463 RDNIEJQPSBAEKB-UHFFFAOYSA-N 405.548 5.214 0 40 HKAB CC(C)c1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2CC(=O)O)cc1 6077048 MTJDVHQMMTUNTR-UHFFFAOYSA-N 420.456 6.323 0 40 HKAB CCCCN1CN(CCSCc2ccc(Cl)cc2)Cn2c1nc1ccccc12 7699102 MMWCEXPIYPWHHQ-UHFFFAOYSA-N 415.006 5.460 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(=O)c3cccc4cccc2c34)cc1 7777873 QVGKULPMDJBKOW-VWLOTQADSA-N 414.508 6.719 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cc(C)ccc4C)C3)cc2)c1 7882264 DRURDONIJCAZMM-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@H](c2nc3ccccc3s2)C1 8104618 UKZSYULJEBEAMO-GOSISDBHSA-N 403.551 5.507 0 40 HKAB CC[C@@H](C)n1c(S)nnc1-c1ccc(COc2ccc(Br)cc2)o1 8480536 CMVCVDJJRYSIQD-LLVKDONJSA-N 408.321 5.139 0 40 HKAB CC[C@@H](C)c1ccc(OCc2nnc(NC(=O)Nc3ccccc3F)s2)cc1 8771740 XFZSNQTWFDZHLQ-CYBMUJFWSA-N 400.479 5.414 0 40 HKAB Cc1cc(C)c2oc(C(=O)N(Cc3cccc(Cl)c3)Cc3ccco3)c(C)c2c1 9431934 FEUCQJLPGIYAQN-UHFFFAOYSA-N 407.897 6.447 0 40 HKAB CC(C)OC(=O)c1c(NC(=O)c2cccc(Br)c2)sc2c1CCCC2 9968823 TXFLTCSLAQZALL-UHFFFAOYSA-N 422.344 5.207 0 40 HKAB COP(=O)(OC)c1nc(/C=C/c2ccccc2)oc1NCc1ccccc1Cl 12062708 CWRQTYBMLREDQD-OUKQBFOZSA-N 418.817 5.222 0 40 HKAB CC[C@@H](NC(=O)Cc1csc(-c2cccs2)n1)c1ccc(Br)cc1 12798024 CKYIUUQBOSZFLZ-OAHLLOKOSA-N 421.385 5.444 0 40 HKAB CSc1cccc(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c1 12887672 NQXUUZZXYQFODL-FQEVSTJZSA-N 400.594 5.118 0 40 HKAB COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cccc(C)c2)cc1 13618614 YDOYHXZEFOUEQY-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB Fc1ccccc1CCNCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 16525954 PCJAHWROEKJPHY-UHFFFAOYSA-N 419.927 6.544 0 40 HKAB CCOC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 16757655 ZCEKXEZJKXEJJN-KRWDZBQOSA-N 417.534 5.440 0 40 HKAB COc1cccc(NC(=O)c2sc(-c3ccc(O)cc3)nc2-c2ccccc2)c1 16940683 SCNLHNZQJCVFQH-UHFFFAOYSA-N 402.475 5.444 0 40 HKAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(OCC(C)C)cc3)cc2s1 17088947 VYSPQFJQEARLRF-UHFFFAOYSA-N 411.527 5.322 0 40 HKAB CCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 17090074 MRZNODKWERLJEM-HNNXBMFYSA-N 414.571 5.039 0 40 HKAB COc1ccc(OC)c(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)c1 17091654 PRYMKKFGMGGFQC-UHFFFAOYSA-N 418.704 5.298 0 40 HKAB Cc1cc(C)cc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 17091770 GXPAFWLGSIHUGA-UHFFFAOYSA-N 419.333 5.997 0 40 HKAB COc1ccc(-c2nc(Nc3ccc(Cl)cc3Cl)sc2CC(=O)O)cc1 19894581 LIQNLHPQXPLXKZ-UHFFFAOYSA-N 409.294 5.496 0 40 HKAB C[C@H](Sc1ccccc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 20046359 VIRLSPAGTJMTRV-SFHVURJKSA-N 417.574 6.334 0 40 HKAB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc(O)c(C(=O)O)c1 20150943 NWFZYMJVXJVPIK-RMKNXTFCSA-N 418.232 5.309 0 40 HKAB CCCN(CCC)c1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 20190803 ZTUYFLPTHCDHQQ-UHFFFAOYSA-N 423.630 5.735 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)cc1Cl 20459925 ZQUPCYUWPDQYHK-CQSZACIVSA-N 403.906 5.220 0 40 HKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(C)c2)cc1 20970083 HPVPUPMLSRTGRP-RUZDIDTESA-N 422.532 5.835 0 40 HKAB CCOc1cc(CNCCc2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 22074295 FHXRIGFJRQDYDV-UHFFFAOYSA-N 413.920 5.789 0 40 HKAB Cc1cc2occ(CC(=O)N(C)Cc3c(C)nn(-c4ccccc4)c3C)c2cc1C 27106257 ZRTVRHZCXMIQRH-UHFFFAOYSA-N 401.510 5.053 0 40 HKAB Cn1c(-c2ccc(Cl)c(Cl)c2)cn2cc(-c3ccc(Br)cc3)nc12 27117633 BUBKONKQLOTJAF-UHFFFAOYSA-N 421.125 6.076 0 40 HKAB Cc1ccc(Sc2nc3c(C)cccc3cc2/C=C2\SC(=S)N=C2O)cc1 27573067 AYDGFFICHOSXAP-BOPFTXTBSA-N 408.573 6.332 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2csc(-c3ccc(C(C)C)cc3)n2)cc1Cl 29651582 MOZGNUYWUARMSO-UHFFFAOYSA-N 413.930 5.798 0 40 HKAB CC(C)C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)c1ccccc1 30756174 MNASHNCXEZRMOX-QHCPKHFHSA-N 422.550 5.005 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1 30757025 XQHADPFDBWPXGT-HNNXBMFYSA-N 420.347 5.227 0 40 HKAB Cc1c(COC(=O)[C@H]2[C@@H](/C=C(/Cl)C(F)(F)F)C2(C)C)cccc1-c1ccccc1 31274539 OMFRMAHOUUJSGP-OYYQYXLBSA-N 422.874 6.662 0 40 HKAB O=C(Nc1ccccc1-c1nc(-c2ccccc2)no1)c1ccccc1Br 32622125 JKTGKCGELLNZII-UHFFFAOYSA-N 420.266 5.418 0 40 HKAB Cc1cc(=O)n(-c2ccc(C(C)C)cc2)c(C)c1C(=O)Nc1ccc(C(C)C)cc1 32913811 KVSLKMDPEOPVGN-UHFFFAOYSA-N 402.538 5.953 0 40 HKAB Cc1ccccc1Nc1c(-c2ccc(OC(F)(F)C(F)F)cc2)nc2ccccn12 35606546 PPNKDJKYNLDVTR-UHFFFAOYSA-N 415.390 6.290 0 40 HKAB COc1cc(Br)cc(C)c1NC(=O)COc1ccc(C(C)(C)C)cc1 40146450 OKBYPOVKTSZUEL-UHFFFAOYSA-N 406.320 5.081 0 40 HKAB COc1ccc(-c2cnc(SCc3ccc(F)cc3)n2-c2ccc(Cl)cc2)cc1 44087544 KDDMMOUGZDCAAU-UHFFFAOYSA-N 424.928 6.633 0 40 HKAB Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 44842189 DTCHKKAOZWZJKN-IBGZPJMESA-N 415.533 5.930 0 40 HKAB COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 46078883 ZWCZVKNFVXYHFR-UHFFFAOYSA-N 420.896 5.194 0 40 HKAB CC(C)Oc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 57317075 LFGKJPLVYVOAIA-UHFFFAOYSA-N 414.299 5.426 0 40 HKAB CN(CC(=O)N1CCC[C@@H]1c1cccs1)[C@@H](c1ccccc1)c1ccc(F)cc1 57758486 UUSIQWHBTMBJTG-QPPBQGQZSA-N 408.542 5.272 0 40 HKAB COc1ccc(CSc2nc3ccccc3c(=O)n2CCc2ccccc2)cc1F 67259313 VZTNWCLURPZQNQ-UHFFFAOYSA-N 420.509 5.079 0 40 HKAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccc(C)cc2)o1 71844272 PQVPJOHMLZMOHU-PKTZIBPZSA-N 402.538 5.767 0 40 HKAB O=C(C1CCCC1)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72358015 ZXVFVCQQTJFKNU-OAQYLSRUSA-N 402.460 5.545 0 40 HKAB Cc1cnc(Nc2cccc([C@H]3CCCN3C(=O)c3nccc4ccccc34)n2)s1 72375312 FOMCKASIFZGONS-LJQANCHMSA-N 415.522 5.116 0 40 HKAB CCN(C(=O)COC(=O)c1sc2ccccc2c1Cl)c1cccc2ccccc12 89969491 XBAKAIMCXQMAAW-UHFFFAOYSA-N 423.921 5.918 0 40 HKAB Cc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccc(F)cc5)cn34)n2)cc1C 96038146 NWPXWYMFLPWBDV-UHFFFAOYSA-N 424.479 5.800 0 40 HKAB COc1ccc(-c2nc(-c3noc4ccc(C(=O)NC5CCCC5)cc34)cs2)cc1 96154430 JPMXQPDLTBAXJS-UHFFFAOYSA-N 419.506 5.299 0 40 HKAB COc1ccc([C@H]2OC[C@]3(COC(=O)c4ccccc4)[C@@H](C)C=C(C)[C@@H]2[C@@H]3C)cc1 103620972 VGRINMHUNLQXBU-CWFFZCCFSA-N 406.522 5.458 0 40 HKAB C[C@H](CO)CCC[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118925403 QOZJGOAPWUNUFZ-PQWXQXATSA-N 420.678 5.412 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)CCC[C@@]45C[C@]35CC[C@]12C 120656646 BSLYZLYLUUIFGZ-ZHLMDXAWSA-N 412.746 9.278 0 40 HKAB CC(C)N(C(C)C)p1oc2ccc3c(c2c2c4c(ccc2o1)CCCC4)CCCC3 145621343 LHKOTTBRSICARI-UHFFFAOYSA-N 423.537 7.802 0 40 HKAB CC(C)(C)c1ccccc1OCCNC(=O)CSCc1ccc(Cl)cc1F 223736380 AUZUKIIYECEGRH-UHFFFAOYSA-N 409.954 5.205 0 40 HKAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccccc1C(C)C 224230195 VPCHGUKFSVEGOI-UHFFFAOYSA-N 411.448 5.928 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2F)cc1COc1cccc2ccccc12 224300911 QESVJKYGMABDHO-UHFFFAOYSA-N 401.437 5.819 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1CSc1ccc(C)cc1 224344009 VEXIHAHLCUNVDK-QGZVFWFLSA-N 409.526 5.926 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NCCC3=CCCCC3)o2)cc1 224906506 UMVKSRNWIKWMNI-UHFFFAOYSA-N 402.494 5.638 0 40 HKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225623593 LXMSGLSANCIWIF-RDPSFJRHSA-N 404.595 5.254 0 40 HKAB CCCc1s/c(=N\C(=O)c2cccc(Cl)c2)n(CC)c1-c1ccc(F)cc1 408562640 RCDZNGMOPVATJD-FLFQWRMESA-N 402.922 5.723 0 40 HKAB O=C(Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1cccc(F)c1 408627685 NAOUVXCTBXXCSH-UHFFFAOYSA-N 401.224 6.193 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)/C(=C/c1ccccc1Cl)c1ccccc1 408926385 SOFBJCPPFRPMJH-SAPNQHFASA-N 401.815 6.538 0 40 HKAB CCc1cccc2c(/C=C3\SC(=O)NC3=O)cn(Cc3c(F)cccc3Cl)c12 409149166 YJVYASZEXSJSLQ-NVMNQCDNSA-N 414.889 5.368 0 40 HKAB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1ccccc1 409178306 MASNBWJKNQUKQS-DEOSSOPVSA-N 421.880 5.226 0 40 HKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccs3)n2C)cc1C 409206628 YUWPPYSHNAPXSY-VHXPQNKSSA-N 404.560 5.840 0 40 HKAB CN1CC2=C(C(=C3CC[C](Oc4ccccn4)CC3)N=N2)c2ccc(Cl)cc2C1 1560403794 FKWBJFUMOKGUMO-UHFFFAOYSA-N 405.909 5.796 0 40 HKAB COC(=O)c1ccc(Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1 845832 KHVAEHOBNZSXAM-UHFFFAOYSA-N 403.301 5.411 0 40 HKAB Cc1ccc2cc(CN(C(=S)Nc3ccc(F)cc3)C3CCCC3)c(=O)[nH]c2c1 874686 UVEXRDTUYJDVBP-UHFFFAOYSA-N 409.530 5.117 0 40 HKAB CCc1ccccc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 900392 VHGIUNOTQNEMBD-UHFFFAOYSA-N 423.485 5.517 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)Nc3cccc(Cl)c3)C3CCCCC3)cc2c1 1353047 WXLWPJHVIHIHNO-UHFFFAOYSA-N 423.944 5.857 0 40 HKAB Cc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1C 1380099 BBHLFOAVBAZGRF-QFIPXVFZSA-N 422.550 5.405 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC(=S)N[C@@H]1C[C@@H](C)CC(C)(C)C1 1735398 SXOOYTUJLLTENR-TZMCWYRMSA-N 419.978 5.123 0 40 HKAB CCN(CC)c1ccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3ccccc3)oc2c1 1742505 DOMRKFBIHGULLH-RQZHXJHFSA-N 408.505 6.055 0 40 HKAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1CC[C@H](C)C2 1939995 YDSDRPGIFPIKCO-LBPRGKRZSA-N 421.946 5.029 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1 2351346 YKHASLXUZJQEQK-UHFFFAOYSA-N 418.497 5.113 0 40 HKAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(C(C)(C)C)cc1 2447495 AYFRYCVQXDUNRP-UHFFFAOYSA-N 422.598 5.610 0 40 HKAB Cc1ccc(CSc2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)cc1 2721823 ZAHFJAFVXJVMGS-UHFFFAOYSA-N 411.504 5.368 0 40 HKAB O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1CCc1ccccc1 2970123 TTWWVQBRBDEDEX-UHFFFAOYSA-N 406.938 5.585 0 40 HKAB CCc1ccc(Cl)c(CC)c1NC(=O)CCCSc1ncnc2sccc12 3346635 OBZBOZHRWPKAAF-UHFFFAOYSA-N 420.003 5.981 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@]2(C)C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C 3852197 ORLULZQEXHRVDY-WCKDOIPTSA-N 412.702 7.945 0 40 HKAB O=C1C(Cl)=C(NC2CCCCCCCCCCC2)C(=O)N1Cc1ccccc1 3947318 NLVJPZZLADASEF-UHFFFAOYSA-N 402.966 5.269 0 40 HKAB Cc1cccc(C)c1-n1nnnc1C(C)(C)N(Cc1ccccc1)Cc1ccccc1 4017207 GXSUAOYEXRRLNZ-UHFFFAOYSA-N 411.553 5.217 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(C(=O)c2ccccc2)cc1 4134695 KQOAAEDMIFCFKI-UHFFFAOYSA-N 417.468 5.713 0 40 HKAB CC(=O)c1sc(NC(=O)CCSc2ccc(F)cc2)nc1-c1ccccc1 4496827 YWAGJQSXXAYVPE-UHFFFAOYSA-N 400.500 5.273 0 40 HKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)cc1 4899350 DPKQSAAJXQLYKM-MSBODSJQSA-N 408.545 6.593 0 40 HKAB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)Nc3ccc(C)c(C)c3)n2n1 5266889 CDXYMNPUTHVYGT-UHFFFAOYSA-N 416.550 5.361 0 40 HKAB CCCCCOc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C(CC)CC)cc1 5932632 STBABXPUZBGARC-HXUWFJFHSA-N 417.575 5.531 0 40 HKAB COc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cccc(NC(C)=O)c3)c2c1 6553512 HIJNIDROAWOAFM-UHFFFAOYSA-N 411.461 5.121 0 40 HKAB O=C(COc1ccc2c(c1)CCC2)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 7783376 WPXWBDDJMGGGQA-QFIPXVFZSA-N 416.546 5.045 0 40 HKAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 8041280 PNPLZXIAIUWVPC-QFIPXVFZSA-N 407.897 5.676 0 40 HKAB Cc1ccc(C2=NN(C(=O)c3ccccc3)[C@H](c3ccc(Br)cc3)C2)cc1 8769706 NJIHLADVCCHZFB-QFIPXVFZSA-N 419.322 5.749 0 40 HKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc4ccccc34)sc2c1 9089725 CFWRALQCOCGMTD-UHFFFAOYSA-N 419.575 5.919 0 40 HKAB CSc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 9254659 DMISGNQORWRQIZ-GOSISDBHSA-N 410.564 5.345 0 40 HKAB COc1ccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)N=C3NN=NN32)cc1OC 9360562 KYIWFZIYQJOYCN-OAQYLSRUSA-N 411.465 5.010 0 40 HKAB O=C(Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1ccc2c(c1)OCO2 9523646 JRJHABAIADJEKU-UHFFFAOYSA-N 418.880 5.253 0 40 HKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(CN2CCCCC2)cc1 10330575 KLRYSPRWKUSRJR-UHFFFAOYSA-N 416.590 6.217 0 40 HKAB COc1cccc2cc(-c3csc(NC(=O)CSc4ccc(F)cc4)n3)oc12 10748672 SDMCWNHUEZZVQE-UHFFFAOYSA-N 414.483 5.435 0 40 HKAB COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)CC3CCCCC3)n2)cc1 12442137 GYAJXDPEEBUFIA-UHFFFAOYSA-N 410.543 5.222 0 40 HKAB Cc1nn(CC(C)C)c2sc(C(=O)N[C@H]3CCSc4ccc(F)cc43)cc12 12695027 DAZAQIGUXKLEBW-INIZCTEOSA-N 403.548 5.168 0 40 HKAB O=C(CCCOc1cccc(Br)c1)NC(c1ccccc1)c1ccccc1 12770947 UWGXYZJDNUCDFD-UHFFFAOYSA-N 424.338 5.514 0 40 HKAB CC(C)n1ncc2cc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cnc21 12905241 LHOAZVRDSOCADK-UHFFFAOYSA-N 406.873 5.710 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 12936900 GSMZUAWSRWYPJM-VWLOTQADSA-N 404.579 5.766 0 40 HKAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(Br)cc2)cs1 12998303 REBOABBUGLKYTQ-UHFFFAOYSA-N 403.301 5.045 0 40 HKAB CC(C)(C)C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 13628764 AZVGXQRECKLESU-UHFFFAOYSA-N 411.571 5.096 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(CN4CCCCC4)cc3)ccc21 13681521 OKCPWVSRQGCLKI-UHFFFAOYSA-N 411.549 6.053 0 40 HKAB O=C(NCCSCc1cccc(Cl)c1)c1ccccc1CCc1ccccc1 13688253 OZBMHMNCZGEAJW-UHFFFAOYSA-N 409.982 5.788 0 40 HKAB Cc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccccc3Cl)C2)cc1 13810592 LGNZMKRLGZEKBY-HSZRJFAPSA-N 424.953 5.497 0 40 HKAB CC(=O)NCc1ccc(-c2csc(NC(=O)C3CCC(C(C)(C)C)CC3)n2)cc1 14075497 CZIPUJYVJAVKMU-UHFFFAOYSA-N 413.587 5.237 0 40 HKAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3cccs3)N3CCCCCC3)no2)cc1 15859980 KQYWNDGUNUAKES-HXUWFJFHSA-N 409.555 5.059 0 40 HKAB O=C(NC(=S)Nc1cccc(F)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 17088162 NWPBZUIOCNWBNS-UHFFFAOYSA-N 409.269 5.519 0 40 HKAB O=c1c(Sc2ccc(Cl)cc2)c(O)nc(-c2ccccc2)n1-c1ccccc1 17112024 MQTBQPNFQUQATN-UHFFFAOYSA-N 406.894 5.410 0 40 HKAB c1ccc(CCOc2ccc(CNc3cccc(OCCc4ccccc4)c3)cc2)cc1 19737468 JAPUURASTNQQPE-UHFFFAOYSA-N 423.556 6.542 0 40 HKAB CCSc1ccccc1NC(=O)COc1ccc2ccccc2c1Br 20044683 CNHSWRZROGZCKF-UHFFFAOYSA-N 416.340 5.732 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 20459708 ULHCQWJFFJZRGV-SFHVURJKSA-N 423.534 5.363 0 40 HKAB Cc1nc(Nc2nc(C)c3ccccc3n2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 20634898 VDQAKLPUQMPPEP-JXOMPUQVSA-N 421.504 5.239 0 40 HKAB COc1ccccc1[C@H]1N=C(c2ccc(Br)cc2)[C@@H]2[C@@H](c3ccccc3)N21 25504206 IPKXJAZVJRQVSG-FOMDFCNTSA-N 419.322 5.385 0 40 HKAB Cc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn23)cc1Cl 27585986 DDSYLOBVWWBOIM-UHFFFAOYSA-N 410.908 6.769 0 40 HKAB CC(C)(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(=O)c3ccccc3o2)cc1 27990812 MOIKQAAVBPDRGY-UHFFFAOYSA-N 415.489 5.526 0 40 HKAB CCCCc1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 30938238 DQZJYSPKQWPJDX-UHFFFAOYSA-N 419.396 6.187 0 40 HKAB Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(Cc4ccccc4F)CC3)c12 57731742 HSNLSLMRVBIGNO-UHFFFAOYSA-N 422.548 5.346 0 40 HKAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2cccc(F)c2)cc1 59186122 AACWVCFMALZETO-JAIQZWGSSA-N 413.370 5.916 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(-c2nc3ncccc3o2)c1 59477553 BVQRAEUNMYBJLU-WYMLVPIESA-N 407.429 5.802 0 40 HKAB CCc1cccc(NC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)c1 64472723 KLOGGWAWYKUXOH-UHFFFAOYSA-N 406.938 6.674 0 40 HKAB CCOc1ccc(-c2noc(-c3cn(-c4ccc(C)cc4)c(=O)c4ccccc34)n2)cc1 67245245 XENPGMGSAVCGNK-UHFFFAOYSA-N 423.472 5.415 0 40 HKAB CCCCCn1c(SCc2ccc(N3CCCC3=O)cc2)nc2ccccc2c1=O 67259009 CUBOZVLOWFUELD-UHFFFAOYSA-N 421.566 5.006 0 40 HKAB O=C(Nc1ccc(F)cc1)O[C@H]1CCC[C@@H](NC(=O)c2ccccc2C(F)(F)F)C1 77200295 MYEUCUCLMUZOEB-CVEARBPZSA-N 424.394 5.134 0 40 HKAB O=C(c1cccnc1Cl)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 84357581 FSDNODVMSGPZCU-ODYGUOKUSA-N 407.857 5.358 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)N1CCc2sccc2[C@@H]1c1ccccc1 84525632 ZHERIWAKBRMTLS-IBGZPJMESA-N 402.441 5.947 0 40 HKAB CN(Cc1csc(-c2cccs2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 95356875 YBKRXEMNQHRPKO-RDJZCZTQSA-N 411.379 5.269 0 40 HKAB CCCCCCOc1ccc(NC(=O)c2c(O)c3ccccc3n(CCC)c2=O)cc1 100498383 PALUDZDFCMFWDF-UHFFFAOYSA-N 422.525 5.329 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219387615 NCZXIXKUJBAFBQ-AZUAARDMSA-N 419.974 5.638 0 40 HKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccccc1Cl 222681758 ZUYDDECYDNIYHU-INIZCTEOSA-N 403.975 5.036 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccc(C(C)(C)C)cc1 224179832 QZOFVVNZMPXJCG-UHFFFAOYSA-N 417.549 6.441 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)c1 224229651 CDXNWJRWYNFDDP-LOSJGSFVSA-N 424.573 5.666 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3cccc(OC)c3)c2)cc1 224258909 RGVDYFVPYJFQDP-UHFFFAOYSA-N 419.521 5.878 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1C 224263852 FVRXMVSSHIEHAR-FGZHOGPDSA-N 404.583 5.432 0 40 HKAB COc1ccc(Cl)cc1S(=O)(=O)N[C@H](c1ccccc1)c1ccc(C)cc1C 224741521 KYGIXFCVWMORPI-JOCHJYFZSA-N 415.942 5.033 0 40 HKAB O=C(NCCc1ccccc1)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 225462702 OLXVKIQJLUFWGQ-UHFFFAOYSA-N 409.942 5.121 0 40 HKAB C[C@@H](CCc1ccccc1)NC(=S)Nc1ccc(CSc2ccccc2)cc1 225513662 NRCHPVBHEFICKR-IBGZPJMESA-N 406.620 6.287 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(CSc3ccccc3)cc2)c1 225542025 DMOUFWHKWBYLIG-UHFFFAOYSA-N 405.563 6.428 0 40 HKAB FC(F)(F)c1cc(NC(=S)NCCCSC2CCCCC2)ccc1Cl 225590456 KOWKGEATMOZKJJ-UHFFFAOYSA-N 410.958 6.101 0 40 HKAB Fc1ccccc1CSCCCNC(=S)Nc1ccc(OC2CCCC2)cc1 225613348 NGUJXKOUVJSPAU-UHFFFAOYSA-N 418.603 5.757 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)NCc3cccc(C(F)(F)F)c3)cc2)cc1 225843348 CZQVLUMIVXOMEC-UHFFFAOYSA-N 415.480 6.236 0 40 HKAB COc1cccc(-c2ccc([C@@H]3CCCCN3Cc3ccc(NC(C)=O)cc3)cn2)c1 257211373 BYPYHUPTPIIPIZ-SANMLTNESA-N 415.537 5.443 0 40 HKAB CC1=C(C)C[C@@H](C(=O)N2CCC(c3ccc(Cc4ccccc4C)cn3)CC2)CC1 257299087 RORNNXNELLHSBY-VWLOTQADSA-N 402.582 5.823 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3C)n2)c(C)c1 408693999 GTHKJUUWBAISKS-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB O=C1S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1c1ccccc1 408816200 KWSNFBDTAAWQBA-STZFKDTASA-N 421.905 6.160 0 40 HKAB Nc1cc(-c2cccc(Br)c2)nn1-c1c(Cl)cc(Cl)cc1Cl 408955188 TWKOHDUONXDHFK-UHFFFAOYSA-N 417.521 5.844 0 40 HKAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c(Cl)c1Cl 409134188 NZOWYYIIEMYPJX-UHFFFAOYSA-N 401.098 5.110 0 40 HKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccc(Cl)cc3)cc2Cl)c1 409172482 JCHKCEKQECYOFI-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB O=C(c1ccccc1)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)C2=O 409182371 KSZVRRKVORBAEZ-UHFFFAOYSA-N 419.436 5.511 0 40 HKAB S=C(c1cn(CCOc2ccccc2)c2ccccc12)N1CCc2ccccc2C1 409196464 WBITUKILFUWYJG-UHFFFAOYSA-N 412.558 5.454 0 40 HKAB CC(C)=CCC[C@]1(C)Oc2cc(-c3cccc(C(=O)O)c3)ccc2[C@@H]2O[C@H](C)CC[C@H]21 585265409 BPXSGVBCHOTVAF-BIIVWMMYSA-N 420.549 6.806 0 40 HKAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)c1 672894 RITLFLHFSICVRG-UHFFFAOYSA-N 404.491 5.541 0 40 HKAB CC[C@H](C)c1ccc(OCc2nnc(NC(=O)c3cccc4ccccc34)s2)cc1 687987 PLMWWCKEPJNKBZ-INIZCTEOSA-N 417.534 6.036 0 40 HKAB COc1ccc(-c2cc(-c3ccccc3)nc(-c3ccc4c(c3)NC(=O)CO4)c2)cc1 990169 JOFXRISGWOGNFQ-UHFFFAOYSA-N 408.457 5.422 0 40 HKAB COc1ccc(C(=O)N2c3ccc(OC(=O)c4ccco4)cc3C(C)=CC2(C)C)cc1 1300905 VNKOBAOHLSQCTO-UHFFFAOYSA-N 417.461 5.350 0 40 HKAB CCCCCOC(=O)c1ccc(NC(=O)/C(Br)=C/c2ccccc2)cc1 1809046 HVOSOBRUHOJJMB-CYVLTUHYSA-N 416.315 5.408 0 40 HKAB CCCCCC(=O)N[C@@H](Sc1nc2ccccc2s1)C(Cl)(Cl)Cl 2066210 HKYFFZGJHOMRKB-ZDUSSCGKSA-N 411.807 5.781 0 40 HKAB Cc1ccc(-c2cc(C(=O)Oc3ccc4ccccc4c3)c3cccc(C)c3n2)cc1 2078926 MFUAJICKHXQMHW-UHFFFAOYSA-N 403.481 6.891 0 40 HKAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 2314225 QSLBOOWYSVRBJD-XNTDXEJSSA-N 400.453 5.071 0 40 HKAB CC(C)(C)N(Cc1ccccc1)C(=O)COc1ncnc2c(Cl)cc(Cl)cc12 2633687 CTYGUYCYPZPMDP-UHFFFAOYSA-N 418.324 5.143 0 40 HKAB O=C(Oc1ccc2c(c1)OCO2)c1oc2ccccc2c1CSCc1ccccc1 2641595 KWYLSDXCJNYADU-UHFFFAOYSA-N 418.470 5.814 0 40 HKAB CC1C[C@H](C)N(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)[C@@H](C)C1 2755757 AFUZUSPUDYOVQC-GJZGRUSLSA-N 416.447 5.064 0 40 HKAB O=C(Nc1nc(-c2ccccc2)cs1)c1sc2cc(Cl)ccc2c1Cl 2770227 ZQQROLVXJIBDIF-UHFFFAOYSA-N 405.331 6.584 0 40 HKAB C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl 3284303 BVRSQJOAXMASNH-QMMMGPOBSA-N 407.080 5.484 0 40 HKAB Clc1cccc(Cn2c(/C=C/c3ccc(Cl)cc3Cl)nc3ccccc32)c1 4002707 BUHICRIJXKLBQD-PKNBQFBNSA-N 413.735 7.215 0 40 HKAB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nc2ccccc21 4289501 DDJIUCUOZBRJRT-KRWDZBQOSA-N 401.535 5.843 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc4ccccc24)N3)C1 4553430 ZYYWARZMEXHQOL-ZHRRBRCNSA-N 404.579 6.871 0 40 HKAB CC(C)(COC12CC3CC(CC(C3)C1)C2)NC(=O)COc1ccc2ccccc2c1 4720921 HFVJVGRSNSSNTP-UHFFFAOYSA-N 407.554 5.099 0 40 HKAB COc1cc([C@@H]2O[C@H]3CCCC[C@@H]3c3sccc32)ccc1OCc1ccccc1 4784305 HKUBQVLWDXNOTL-PTLVVNQVSA-N 406.547 6.482 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ncoc1-c1cccc(Cl)c1 5002056 PNLVRFMKOIIYIP-UHFFFAOYSA-N 401.171 5.920 0 40 HKAB C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 5027091 ULNUUSRBFWWGNO-SOUVJXGZSA-N 423.504 5.433 0 40 HKAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(C(=O)c2ccccc2)cc1 5124337 WTUPWKCRALEDEM-UHFFFAOYSA-N 402.450 5.433 0 40 HKAB O=C(O)c1cc(/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2ccccc12 5141759 WGDIKDBPJDIOHG-VOTSOKGWSA-N 410.256 6.670 0 40 HKAB O=C(c1ccccc1Cl)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 5446615 PWLRFSGCYPTTSM-DYDAIYTOSA-N 406.869 5.963 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(c3nc(-c4ccc(C)cc4C)c(C)s3)C(=O)[C@@H]21 5793620 WHIOHBGYSHOOBF-KJWXAFIESA-N 406.551 5.217 0 40 HKAB COc1cc2sc(NC(=O)COc3cc(C)ccc3C(C)C)nc2cc1Cl 6473261 JJIGEGRPJMMVCF-UHFFFAOYSA-N 404.919 5.408 0 40 HKAB O=C(CSc1nc2ccccc2nc1-c1ccccc1)N1CCCc2ccccc21 6530234 QKIMCQXXAPYVQN-UHFFFAOYSA-N 411.530 5.368 0 40 HKAB COCCn1c(C)cc(C(=O)CSc2nc(C)c(C)n2C2CCCCC2)c1C 6657532 FQASJWFRMVIPNK-UHFFFAOYSA-N 403.592 5.045 0 40 HKAB O=C(CSc1ccc2ccccc2c1)N1CCC(c2nc3ccccc3o2)CC1 7090349 KCWGITIWKUOOKW-UHFFFAOYSA-N 402.519 5.479 0 40 HKAB CCOc1ccccc1OCC(=O)Nc1nc2ccc(SC(F)F)cc2s1 7265005 ZERQBHDQBNWINB-UHFFFAOYSA-N 410.467 5.027 0 40 HKAB O=C(C(=O)N1CCC(Cc2ccccc2)CC1)c1c(-c2ccccc2)cc2ccccn12 7604355 FYPJHFPXTMNCOH-UHFFFAOYSA-N 422.528 5.270 0 40 HKAB O=C(Oc1ccc2oc3ccccc3c2c1)C1CCN(C(=O)Nc2ccccc2)CC1 7778667 FCQXVAMYWGIUGW-UHFFFAOYSA-N 414.461 5.436 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1OCCOc1ccccc1 8402265 NCZMNAYFRGWXFQ-UHFFFAOYSA-N 413.420 5.074 0 40 HKAB FC(F)(F)c1cccc(CSc2nc(-c3ccccc3)nnc2C(F)(F)F)c1 8857191 BBMNIMFDAOVFAS-UHFFFAOYSA-N 415.362 5.869 0 40 HKAB CC(C)(C)c1ccc(OCc2nnc(NC(=O)Nc3ccccc3F)s2)cc1 9170049 PBWOHIRLACKUAE-UHFFFAOYSA-N 400.479 5.198 0 40 HKAB CC(C)(C)c1cc(C(=S)N2CCC(Cc3ccccc3)CC2)cc(C(C)(C)C)c1O 9187980 KWHJORFDLQEIPU-UHFFFAOYSA-N 423.666 6.617 0 40 HKAB COc1ccccc1-c1c(C)noc1-c1ccc(OCc2ccccc2Cl)cc1O 9410291 AZYCSIKQWKJQFP-UHFFFAOYSA-N 421.880 6.264 0 40 HKAB biogenic CCOC(=O)c1c(NC(=O)CSc2ccc(Cl)cc2)sc2c1CCCCC2 9444086 UGMQCALVNJCFGS-UHFFFAOYSA-N 423.987 5.578 0 40 HKAB COc1cc(C)c(NC(=O)C2(c3cccc(C(F)(F)F)c3)CCCC2)cc1OC 9457228 DCABQVLSRNSMBI-UHFFFAOYSA-N 407.432 5.482 0 40 HKAB O=C(CSc1nc2cccc3cccc([nH]1)c32)Nc1ccc(OC(F)(F)F)cc1 9561850 NZYMGQWCQGCSQA-UHFFFAOYSA-N 417.412 5.346 0 40 HKAB Cc1cccc(NC(=O)Nc2nc(CC(=O)Nc3c(C)cc(C)cc3C)cs2)c1 9625638 QQEUILFUMNCWPM-UHFFFAOYSA-N 408.527 5.202 0 40 HKAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2ncc(Cc3ccccc3)s2)s1 9910751 HHPBJIQPYNXQAL-UHFFFAOYSA-N 423.538 5.486 0 40 HKAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)c1cccc(Cl)c1 9912931 YFVRVWBFXJPYOQ-LBPRGKRZSA-N 403.960 5.282 0 40 HKAB O=c1c2ccccc2nc(/C=C/c2ccc(O)cc2)n1-c1ccc(Br)cc1 9968906 AJWHEXDFGNLUFA-VGOFMYFVSA-N 419.278 5.024 0 40 HKAB COCc1cccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)c1 10956091 BIPZBLZGSTVRBY-UHFFFAOYSA-N 404.438 5.119 0 40 HKAB CSc1ncc(Sc2ccc(C)cc2)c(C(=O)Nc2ccc(Cl)cc2)n1 11917648 VOLDMGVRFUIWER-UHFFFAOYSA-N 401.944 5.564 0 40 HKAB CC(C)Cc1ccc([C@@H](C)c2nn3c([C@H]4COc5ccccc5O4)nnc3s2)cc1 12391482 DSXKPDJVSBBBQG-FOIQADDNSA-N 420.538 5.049 0 40 HKAB Cc1c(C(=O)Nc2ccnn2Cc2cccs2)oc2cc(Br)ccc12 12408449 PUQTYQZBWUHTTG-UHFFFAOYSA-N 416.300 5.062 0 40 HKAB Cc1sc2nc(CSc3ccccc3)nc(NCCCn3ccnc3)c2c1C 12633287 DTAPZDKLQQOBFX-UHFFFAOYSA-N 409.584 5.299 0 40 HKAB CC1=C[C@H](C)[C@H](C2OCC3(CO2)COC([C@H]2[C@H](C)C=C(C)C[C@H]2C)OC3)[C@@H](C)C1 12653330 JLEHIYGUDHRGOJ-QUHQIYIMSA-N 404.591 5.195 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 12867613 HONOKMUVEQPOAM-XGYCBEGRSA-N 412.614 6.256 0 40 HKAB biogenic COc1cc(/C=C(\Cl)c2ncc(-c3ccccc3)o2)cc(Br)c1O 13097187 VZMSZEBTLHFFEU-ZSOIEALJSA-N 406.663 5.555 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@]4(O)CCCC[C@]4(C)[C@@H]3CC[C@]12C 13423850 HKHHYUSFWJROEJ-XNENPYOKSA-N 404.679 6.584 0 40 HKAB biogenic,in-vitro CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 13684980 WLAYBMIHSZSNFI-UHFFFAOYSA-N 400.522 5.254 0 40 HKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 13708585 AWUGLNCZRYAVKM-KRWDZBQOSA-N 417.892 6.692 0 40 HKAB Cc1cccc(CSCCNC(=O)N2c3ccccc3Sc3ccccc32)c1 13717146 VXBLNKCEPYJJGL-UHFFFAOYSA-N 406.576 6.241 0 40 HKAB CCc1nn2c(c1-c1ccc(OC)cc1)N=C(c1ccccc1)C[C@H]2c1ccccn1 14607601 SHADWBMMCZPMAP-DEOSSOPVSA-N 408.505 5.630 0 40 HKAB Fc1ccc(-n2nc3c(c2-c2ccc(Cl)c(Cl)c2)-c2ccccc2CC3)cc1 16524033 FMQRFKKZYUJRGF-UHFFFAOYSA-N 409.291 6.751 0 40 HKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc2ccccc2c1 18832840 BHBHYCAOHRSTPD-UHFFFAOYSA-N 405.885 5.596 0 40 HKAB Cc1cccc(CN(Cc2ccccc2)C(=O)c2sc(-c3ccccn3)nc2C)n1 19236114 BGBVAYDXBLDCQE-UHFFFAOYSA-N 414.534 5.060 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)c1cn2c3c(cccc3c1=O)CCC2 22235474 IXENORFZGFYTDG-UHFFFAOYSA-N 412.514 5.351 0 40 HKAB Cc1csc(SCc2c(C(=O)Nc3cc(F)ccc3F)oc3ccccc23)n1 22396056 LISSFMWWTAGAJC-UHFFFAOYSA-N 416.474 6.021 0 40 HKAB CC(C)COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1Cl 32809481 ZDJONWUVOYJVNZ-GFCCVEGCSA-N 404.919 5.060 0 40 HKAB FC(F)(F)c1cccc(-c2noc(Cc3nc(-c4ccc(Cl)cc4)cs3)n2)c1 33171472 USGXFXGDWHXSDX-UHFFFAOYSA-N 421.831 6.123 0 40 HKAB Fc1cccc(COc2c(Cl)cc(CNc3cccc(Cl)c3)cc2Cl)c1 33567140 DSUNSPIYSWODIG-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB Clc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c3c2CCCCC3)cc1 35323940 DDFRKOJPLPTMAG-UHFFFAOYSA-N 408.332 6.639 0 40 HKAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCCc4cc(C(F)(F)F)ccc43)c12 40069934 YEELGISGXHRBFF-UHFFFAOYSA-N 401.388 5.020 0 40 HKAB Cc1cccc(C(=O)N2CCC(c3nc4cc(C(F)(F)F)ccc4s3)CC2)n1 40113266 INJGCTFUYCBEAJ-UHFFFAOYSA-N 405.445 5.038 0 40 HKAB CCCCOc1ccc(-c2cc(C(=O)Nc3ccccc3Br)no2)cc1 46086557 YRWJGAOJNYDZJZ-UHFFFAOYSA-N 415.287 5.535 0 40 HKAB Cc1ccccc1CN(Cc1cccnc1)C(=O)c1cc(Cl)c2c(c1)OCCCO2 65529219 XYAONWAZOIMWKV-UHFFFAOYSA-N 422.912 5.047 0 40 HKAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c(C)c1 67294458 DMQHDPINNSUFMZ-PNHLSOANSA-N 402.881 6.188 0 40 HKAB Clc1ccc2[nH]c(-c3ccc(-c4ccc(Br)cc4Cl)o3)nc2c1 85345374 YGOAITDQBPDGNC-UHFFFAOYSA-N 408.082 6.559 0 40 HKAB COCCn1c(C(=O)NCc2ccc(Cl)cc2)cc2c1c1ccccc1n2C(C)C 96037317 COHVZGXUUCWMQJ-UHFFFAOYSA-N 423.944 5.407 0 40 HKAB COc1cc(OC)c([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1OC 100629605 YSRNUNKHOBQIJB-HSZRJFAPSA-N 408.498 5.584 0 40 HKAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 108903459 HHCUODSRPCZXCJ-HRCADAONSA-N 405.567 5.935 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 118926744 KNPATZSHRPGJID-HWMNWYBYSA-N 402.575 5.449 0 40 HKAB Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(OCc3ccccc3)c1)CC(C)(C)O2 218979092 ZTYBVAVFMSJLLH-QHCPKHFHSA-N 401.506 5.606 0 40 HKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C1CCCC1 223341610 CBBDGHZQBOHDBC-PKTZIBPZSA-N 420.582 5.381 0 40 HKAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2C(C)C)cc1 223622066 IWDGHDLUINDHIL-JCMHNJIXSA-N 420.534 5.290 0 40 HKAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccc(Cl)c(C)c1 224212553 USFJGCHFEBIUAQ-UHFFFAOYSA-N 413.876 5.305 0 40 HKAB O=C(NCCOc1ccccc1Cl)c1ccc(OCc2ccccc2Cl)cc1 224275481 FMDRHEKIOBDVOH-UHFFFAOYSA-N 416.304 5.381 0 40 HKAB O=C(NC1CCCC1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224948952 VRAUHTJCXKMWMH-UHFFFAOYSA-N 411.299 5.444 0 40 HKAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225699762 DAZZGIQXOSAANL-XMMPIXPASA-N 404.595 5.111 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)c2ccccc12 225931859 OWXHISXVYPPRGD-UHFFFAOYSA-N 407.513 5.914 0 40 HKAB Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3cccc4c(Cl)cccc34)oc12 226269568 CINFTXVYCRNYAV-UHFFFAOYSA-N 418.802 6.135 0 40 HKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](O)/C(=C\c3ccccc3Cl)C[C@H]12 253497884 YMHMUKZSUKEOTI-QLKTXALJSA-N 415.017 6.098 0 40 HKAB biogenic OCc1cc(Br)cc(Br)c1OCc1cccc2ccccc12 390467254 GKXGTLJNEIPNKK-UHFFFAOYSA-N 422.116 5.436 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OCC 408558408 ULKBORBXPBJJPM-UHFFFAOYSA-N 407.466 5.537 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408641644 KUBTVDWVXUXFGY-SNVBAGLBSA-N 417.214 5.004 0 40 HKAB COc1ccc(C(C)C)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 408700673 KBSVTHIKNDMCDY-UHFFFAOYSA-N 409.551 5.210 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1ccc3c4c(cccc14)CC3)[C@@H]1Cc3ccccc3[C@H]21 408997475 GRKBUWMOWVADMQ-ZRJLEYOISA-N 417.508 6.108 0 40 HKAB COc1ccc(CSc2ncnc3c2[nH]c2ccc(Br)cc23)cc1 1889138853 HMTVSNDCXWKYJD-UHFFFAOYSA-N 400.301 5.175 0 40 HKAB CCCc1ccc(-c2csc(NC(=O)c3cccnc3Cl)c2C(=O)OC)cc1 662982 WNGCTEBQKVYIRF-UHFFFAOYSA-N 414.914 5.455 0 40 HKAB Fc1ccc(CSc2nncn2NCc2ccccc2OCc2ccccc2)cc1 679349 UPJOQCJUXXQXAU-UHFFFAOYSA-N 420.513 5.032 0 40 HKAB Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2ccncc2)Nc2ccccc2-3)cc1 684043 GYSINSDVSAXSNN-NRFANRHFSA-N 413.506 5.037 0 40 HKAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@H]12 854655 HOYCNZGAXMXRFI-GMMLXXJASA-N 407.513 5.264 0 40 HKAB biogenic COc1ccc([C@H](CCN(Cc2ccccc2)C(C)=O)[C@@H]2CCOC(C)(C)C2)cc1 915280 CIXLOJIXHJGRAX-NOZRDPDXSA-N 409.570 5.423 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3o2)cc1Cl 1094968 VOWYPCGGCICRAT-UHFFFAOYSA-N 420.852 5.480 0 40 HKAB CC(C)(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc3ccccc3oc2=O)cc1 1330088 KHZOSHFYEFJSER-UHFFFAOYSA-N 415.489 5.526 0 40 HKAB CCCCCC(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3ccc(C)cc3o2)c1 2052129 GAFDZIYVUXRANY-UHFFFAOYSA-N 415.946 5.850 0 40 HKAB CSc1nc2c(c(=O)n1[C@@H]1CCOC(C)(C)C1)C1(CCCCC1)Cc1ccccc1-2 2054766 LKWWCAFBONGXHQ-GOSISDBHSA-N 424.610 5.520 0 40 HKAB biogenic CCOC(=O)Cc1c(Sc2ccccc2)c2ccccc2n1Cc1ccccc1 2252398 JHVLDZQFFBLXFB-UHFFFAOYSA-N 401.531 5.946 0 40 HKAB COc1ccc(C(=O)Nc2ccc3nc(SCC(C)C)sc3c2)cc1OC 2397728 GMTGUQAKGOKXMC-UHFFFAOYSA-N 402.541 5.314 0 40 HKAB COc1cc2c3nnc(-c4ccc(C)cc4)c-3cn(Cc3ccc(C)cc3)c2cc1OC 2691336 IUSXOTIUIAHXFB-UHFFFAOYSA-N 423.516 5.885 0 40 HKAB O=C(COC(=O)Cc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(Cl)c1 3231735 AKMSOAZSBVAJDW-UHFFFAOYSA-N 407.080 5.025 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1 3300378 VGUGTDYCGUTCEE-UHFFFAOYSA-N 406.985 5.767 0 40 HKAB C[C@@H](OC(=O)CCC(=O)c1cccs1)C(=O)Nc1ccc(Oc2ccccc2)cc1 3352181 FFJAERMZMPIUNX-MRXNPFEDSA-N 423.490 5.074 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1 3436259 PPJDLBNLUGNOIR-UHFFFAOYSA-N 419.959 5.523 0 40 HKAB Cc1ccc2c(c1)c1c3n2CCN(c2nc(-c4ccc(F)cc4)cs2)[C@H]3CCC1 3624183 NLJYFKCVFAXEHN-QFIPXVFZSA-N 403.526 6.110 0 40 HKAB O=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1c(Cl)cccc1Cl 4092537 BWXJBWLAHJFDHA-UHFFFAOYSA-N 414.336 5.256 0 40 HKAB O=C(CCCc1ccccc1)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12 4267539 WZNYLNWGSQGIIV-UHFFFAOYSA-N 416.452 5.786 0 40 HKAB CC(C)CC(=O)NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 4554931 SAGZZHDPSQUEME-UHFFFAOYSA-N 403.960 5.476 0 40 HKAB Cc1nnc(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)s1 4594328 WNMPNMNTEVRQDE-UHFFFAOYSA-N 405.957 5.422 0 40 HKAB CCC(=O)N(CC[C@]1(c2ccccc2OC)CCO[C@@](C)(CC)C1)Cc1ccccc1 4812243 HSLBYBOWNAXFGN-SVBPBHIXSA-N 423.597 5.741 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 4954610 UOPDFJCEBPIDSF-UHFFFAOYSA-N 407.326 5.003 0 40 HKAB COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2CCC(C)C)cc1 4980071 BTSMGARHZGXNER-DEOSSOPVSA-N 421.566 5.168 0 40 HKAB CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1cccnc1 5029924 OZRYRKXAPXRBHS-QABMSTFYSA-N 423.497 5.535 0 40 HKAB Cc1cccc(C)c1N1CC(=O)N(c2ccc(Cl)cc2)[C@H](c2ccsc2)C1=O 5451850 VDXLUHHTOAYGHY-OAQYLSRUSA-N 410.926 5.139 0 40 HKAB Cc1ccc(-n2c(SCC(=O)N3CCCCCC3)nnc2-c2ccccc2)cc1C 5624162 RVGZICNOAKWRHK-UHFFFAOYSA-N 420.582 5.046 0 40 HKAB CCOc1cc(C=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 5651953 SMXMMBQFQFBHNO-UHFFFAOYSA-N 404.087 5.546 0 40 HKAB S=C(Nc1ccc(Oc2ccccc2)cc1)NC1CCN(Cc2ccccc2)CC1 5694719 LDFAZJJZAMMKNC-UHFFFAOYSA-N 417.578 5.430 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC)c(OC)c2)N3)C1 6396188 KHPSDLSAAUFYLD-JLTOFOAXSA-N 414.571 5.735 0 40 HKAB C[C@@H](OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1ccc(Cl)cc1Cl 6886830 HTGOLNYEMPDSEP-LLVKDONJSA-N 404.249 5.036 0 40 HKAB Cc1noc(C)c1COC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1 7779203 VXOOFWDWBPFDQR-ZHACJKMWSA-N 419.506 5.021 0 40 HKAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCC(c2nc3ccccc3s2)CC1 7987800 MPSHXBUKJCJTKL-UHFFFAOYSA-N 416.546 5.895 0 40 HKAB Cc1cc(C)c(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2)c(C)c1 8333331 DAFYQKPTAXXNFY-UHFFFAOYSA-N 410.583 5.037 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)cc(C)c4o3)c2)c1 8335525 NSUWPYGERQBIRS-UHFFFAOYSA-N 404.897 6.634 0 40 HKAB Fc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 9215633 VFGVYLKKXRDHIR-WMZHIEFXSA-N 422.843 5.450 0 40 HKAB CC(=O)N1N=C(c2cccs2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 9419043 HSVKPKREDAZLRR-IBGZPJMESA-N 418.547 5.360 0 40 HKAB Brc1ccccc1CSc1nnc(-c2ccccc2)n1-c1ccccc1 9805772 LSBGZLFEZXOMBL-UHFFFAOYSA-N 422.351 5.989 0 40 HKAB O=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1ccc(OC2CCCC2)cc1 10112670 RBYJGFWHLWVSLG-UHFFFAOYSA-N 400.327 5.257 0 40 HKAB Cc1c(Cl)ccc2sc(N(Cc3ccccn3)C(=O)CCc3ccccc3)nc12 10187713 GYTNETYKUJMTBV-UHFFFAOYSA-N 421.953 5.819 0 40 HKAB COc1c(C)cccc1C(=O)NCC12C[C@H]3C[C@@H](C1)CC(c1ccc(C)c(C)c1)(C3)C2 12462952 QMBUYIOUHQTFJU-LDCALFFHSA-N 417.593 5.888 0 40 HKAB Cc1c(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)oc2ccc(F)cc2c1=O 12529489 YONRRDNLJDHSHL-UHFFFAOYSA-N 415.851 6.776 0 40 HKAB O=C(NCc1nc2ccccc2n1Cc1ccccc1)c1cc(Cl)cc(Cl)c1 12616024 WWAKLQMHNHRUAI-UHFFFAOYSA-N 410.304 5.321 0 40 HKAB Cc1nc(-c2nc(NC3CCN(C(C)C)CC3)ncc2-c2ccsc2)sc1C 12751463 FNUNAFBHTRBKOB-UHFFFAOYSA-N 413.616 5.230 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12891666 YFGRDVNQYSOKLV-HKLCMNTNSA-N 408.586 5.346 0 40 HKAB C[C@@H](SCc1coc(-c2ccc(Cl)cc2)n1)C(=O)Nc1c(F)cccc1F 12929876 QAFNMFGATZBRMH-LLVKDONJSA-N 408.857 5.534 0 40 HKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 13710801 HJBNYQLNWGDVID-QGZVFWFLSA-N 407.897 5.594 0 40 HKAB COc1cc(OC)c(NC(=O)c2sc(-c3ccccc3F)nc2C)cc1Cl 13734525 CVFWQXIUHJGSDA-UHFFFAOYSA-N 406.866 5.181 0 40 HKAB COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)c1 13770895 NIPVKDBKULGGJR-FYYLOGMGSA-N 408.860 5.730 0 40 HKAB COc1ccc(-c2nnn3c2SC(c2ccccc2)=C(c2ccccc2)C=N3)cc1 16217394 ZLZYGJZYPJYTAM-UHFFFAOYSA-N 410.502 5.462 0 40 HKAB Cc1ccc(Nc2nc(NCc3cccnc3)nc3c2cnn3-c2ccccc2)cc1C 17052993 QKIYBINKQVWPJZ-UHFFFAOYSA-N 421.508 5.183 0 40 HKAB CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 17087844 VZSDMUXBGKOBSN-UHFFFAOYSA-N 408.310 5.271 0 40 HKAB CC1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccccc3)cc2Cl)CC1 17089730 IWBDDCKELFRICF-JXMROGBWSA-N 413.974 5.103 0 40 HKAB CC(C)(C)CC(=O)N[C@H](C[C@@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1 19082744 ODYBYPRJPOGVQB-JTHBVZDNSA-N 411.565 5.259 0 40 HKAB CC(=O)Nc1ccc(N2C(=O)CS[C@@H]2c2cccc(Oc3ccccc3)c2)cc1 19926870 GBUJDHTVORXSID-HSZRJFAPSA-N 404.491 5.216 0 40 HKAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)c2ccc(Br)cc2)cc1 23010973 KNUGNUQAUNQKFG-UHFFFAOYSA-N 410.271 5.345 0 40 HKAB CCc1ccc(O[C@H](C)C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1 28290813 YTKJUEMWFSUDPE-MRXNPFEDSA-N 412.892 5.437 0 40 HKAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 30753867 LTJJTDXAMKOEFE-QHCPKHFHSA-N 411.448 5.018 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 30944161 WCCFJGLHGDKCRO-QHCPKHFHSA-N 418.968 5.458 0 40 HKAB Cc1ccccc1-c1noc(CSCC(=O)N(Cc2ccccc2)C(C)(C)C)n1 31423083 BKOBXCFHXIGSOC-UHFFFAOYSA-N 409.555 5.106 0 40 HKAB O=C(NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccccc1 32127783 XQPCAYLHTRJAAO-UHFFFAOYSA-N 423.497 5.775 0 40 HKAB COc1ccc(-c2nc(CN3CCC(OCc4ccccc4)CC3)cs2)cc1OC 32851170 SSFLLTAJIBTBIW-UHFFFAOYSA-N 424.566 5.009 0 40 HKAB Cc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4ccccc4Cl)c3)no2)cc1 33327247 WUOVGDJCIVZGRQ-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38850579 HBZCSHRZKUXEFG-CQSZACIVSA-N 414.830 5.349 0 40 HKAB Cc1cc(-c2nnco2)ccc1NC(=O)CSC(c1ccccc1)c1ccccc1 58202768 OZFQJQBJKIWZFV-UHFFFAOYSA-N 415.518 5.506 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1C 59267804 LEHAKTHLQKDKBX-UHFFFAOYSA-N 408.310 5.391 0 40 HKAB CC1CCC(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)CC1 72306884 OLTYMMXFGZOYPH-UHFFFAOYSA-N 419.369 5.218 0 40 HKAB CCCCOc1ccc(-c2cc(C(=O)NCc3ccccc3C(F)(F)F)[nH]n2)cc1 72331566 VBJINYLGOKMOKY-UHFFFAOYSA-N 417.431 5.204 0 40 HKAB O=C(N[C@H](SCc1ccccc1)C(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 82087330 XPMTWYCNIGXYNN-JOCHJYFZSA-N 413.901 5.351 0 40 HKAB Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NCc1csc(C(C)(C)C)n1 95455322 XUFJLBAHDWLEKP-FQEVSTJZSA-N 409.603 5.005 0 40 HKAB CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)cc1 103718342 PKCWQOGEZOHCLH-OAHLLOKOSA-N 405.325 5.328 0 40 HKAB CC(=O)c1ccc(N(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c2nc3ccccc3s2)cc1 104009026 SLVVOLKUZRXVPH-WDSOQIARSA-N 404.535 5.990 0 40 HKAB COc1ccc(NCc2cc(Br)ccc2OCc2ccc(C)cc2)cc1 106974634 FRJQZOVILNSTPE-UHFFFAOYSA-N 412.327 5.957 0 40 HKAB CCCC[Sn](CCCC)(CCCC)c1ccc2[nH]ccc2c1 196631350 MCXZZBMEFQHTIP-UHFFFAOYSA-N 406.202 6.224 0 40 HKAB Cc1nc(-c2ccccc2NC(=O)c2cc(Br)ccc2Cl)cs1 208007524 BMSYTFYCXPCGAG-UHFFFAOYSA-N 407.720 5.787 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 219339521 AEFSGNCHFGGFEF-FGZHOGPDSA-N 419.521 5.424 0 40 HKAB CC(C)C[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccccc1 219845811 AWXKPCDRNGPHIK-DEOSSOPVSA-N 407.941 6.436 0 40 HKAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222759242 JDLQPVHQGUGNGO-ZWKOTPCHSA-N 404.322 5.251 0 40 HKAB COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2c(F)cccc2Cl)cc1C(C)C 223323414 WQYJMNBOJNUMHT-AWEZNQCLSA-N 413.942 5.100 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1Cc1ccccc1 223403924 PDJVMFCZFHAOQS-DHIUTWEWSA-N 402.567 5.171 0 40 HKAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 223650084 WEVDWWYSKJCDIH-UHFFFAOYSA-N 408.586 5.169 0 40 HKAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 223883437 YJKYTCGVPQZNGW-RTBURBONSA-N 414.987 5.040 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccc(Cl)c(C)c1 224207942 KKGBEVGWKPGDJN-UHFFFAOYSA-N 423.896 5.691 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 224209958 CCLCBINVJHOVNN-ZEQRLZLVSA-N 410.546 5.358 0 40 HKAB CC(C)(C)c1ccc(OCCNC(=O)CC(c2ccccc2)c2ccccc2)cc1 224315829 XIYDAQHHHOZZFB-UHFFFAOYSA-N 401.550 5.701 0 40 HKAB COc1cc(C)c(S(=O)(=O)NC(c2ccccc2)c2ccccc2)cc1C(C)C 224332902 BNPSHZIREAHCMT-UHFFFAOYSA-N 409.551 5.195 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccc(OC)cc1 224596404 WUKDAVMHNYFGCJ-GOSISDBHSA-N 405.494 5.164 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccccc1CN1CCCC1 224800242 UBRBUKBXSCTULZ-UHFFFAOYSA-N 423.409 5.139 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C(C)C)cc3)o2)c1 224899119 UKAAGTDIQROGIU-UHFFFAOYSA-N 412.489 6.393 0 40 HKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(Br)c(Cl)c1 224933432 JODITIQTQWBBFA-GFCCVEGCSA-N 408.723 5.387 0 40 HKAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(N3CCCC3=O)c(C)c1)CC(C)(C)O2 225675920 XSXSMGFNWVIZHR-IBGZPJMESA-N 423.582 5.019 0 40 HKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1 225697512 FMXQTMWBLLSLAG-QGZVFWFLSA-N 413.986 5.560 0 40 HKAB Cc1cccc(CN2CCC[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c1 257295338 QXXXGGRBNRTNES-HSZRJFAPSA-N 424.510 6.379 0 40 HKAB CCCOc1c(Cl)cc(CNc2ccc(Br)cc2C)cc1Cl 408606242 HSPWQRPMCVIKHE-UHFFFAOYSA-N 403.147 6.465 0 40 HKAB Cc1cc(Br)ccc1NCc1ccc(OCc2cccc(F)c2)cc1 408608393 LKRZDLLPTIXYQF-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB COc1cccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)cc3C)n2)c1 408697410 HCPSZURRGZIOOQ-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB CCc1cccc2c(C(=O)C(F)(F)F)cn(CCOc3cc(C)ccc3C(C)C)c12 409206298 TXMPLBBRLXSRKR-UHFFFAOYSA-N 417.471 6.460 0 40 HKAB COc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409376506 BIYQIVOPJPIQLA-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB Cc1ccc2c(c1)Cc1cccc(c1)CN(Cc1ccccc1F)CCCCCO2 643579662 GTFGCUYJEKNWQS-UHFFFAOYSA-N 403.541 6.290 0 40 HKAB O=C(c1cc2ccccc2o1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 1848353976 LINSJVXBAFMLMV-GOSISDBHSA-N 404.441 5.171 0 40 HKAB S=C(Nc1ccc(Cl)cc1)c1sc(N2CCCCC2)nc1N1CCCCC1 626952 WWALJNHHPXFMPD-UHFFFAOYSA-N 421.035 5.565 0 40 HKAB Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccccc2)N3)cc1C 865319 CVNBCEPIXGGLGB-IEBWSBKVSA-N 414.431 5.413 0 40 HKAB c1ccc(-c2nc3cc(Cc4ccc5nc(-c6ccccn6)[nH]c5c4)ccc3[nH]2)nc1 911999 WCUAMDHYUFFZGR-UHFFFAOYSA-N 402.461 5.154 0 40 HKAB COc1ccc(CSc2nc(N)c3c4c(sc3n2)CSC(C)(C)C4)cc1 1245185 FGIOERJYEAVBNS-UHFFFAOYSA-N 403.598 5.142 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccnc2)N2CCC(C)CC2)c1C 1298406 UJCGOLRFDJMVIE-HSZRJFAPSA-N 419.594 5.834 0 40 HKAB Cc1nc(SCC(=O)c2c[nH]c3ccccc23)c2c3c(sc2n1)C[C@H](C)CC3 1326105 DKOSPYUJVSXONO-GFCCVEGCSA-N 407.564 5.581 0 40 HKAB CCOc1ccccc1NC(=O)CSc1nc(C2CC2)nc2sc(C)c(C)c12 1377419 XDIVITCTBBVCSH-UHFFFAOYSA-N 413.568 5.315 0 40 HKAB COc1cc([C@@H]2NC(=O)c3c(sc4c3CCCC4)N2)ccc1OCc1ccccc1 1805031 MHVRVZIPMHXTKO-JOCHJYFZSA-N 420.534 5.069 0 40 HKAB CCOc1ccc(/C=C/C(=O)Oc2ccc(OCc3ccccc3)cc2)cc1OCC 1904558 RGPGRWJMNVSBIP-GZTJUZNOSA-N 418.489 5.682 0 40 HKAB CCCCc1ccc(N[C@H](CC(=O)c2ccc(F)cc2)c2ccc(Cl)cc2)cc1 2067639 YMGJOFPKEOIPSG-XMMPIXPASA-N 409.932 7.248 0 40 HKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 2069642 WBMBEUGQQUWRQT-GOSISDBHSA-N 419.952 6.512 0 40 HKAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(C)cc1 2369505 PXBLKWLLBSFBBD-RNAHPLFWSA-N 422.509 6.202 0 40 HKAB Clc1cccc(-c2nc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn3n2)c1 2428557 RBKUEXOHJFRHCD-UHFFFAOYSA-N 415.671 5.090 0 40 HKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccc(Cl)c1 2450386 XUJVZLXMIJAOQF-UHFFFAOYSA-N 407.326 5.003 0 40 HKAB CC1(C)CC(=O)c2c(oc3ccc(NS(=O)(=O)c4cccc5ccccc45)cc23)C1 2694692 RBSIIFSFKSVODC-UHFFFAOYSA-N 419.502 5.542 0 40 HKAB O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ccccc1C(F)(F)F 3241938 PPTHLEKGTHEDGU-UHFFFAOYSA-N 413.804 5.369 0 40 HKAB Cc1cc(C)c(NC(=O)c2ccc(OS(=O)(=O)c3cc(C)ccc3C)cc2)c(C)c1 3324891 QGMNLPIMUOMNGX-UHFFFAOYSA-N 423.534 5.249 0 40 HKAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@@H]4CCCC[C@H]4Cc4ccco4)[C@H]3C=C12 4028646 YEXCLAFCAHCLGV-WGFVJLKQSA-N 411.586 5.285 0 40 HKAB biogenic CC(=O)c1cccc(NC(=O)CCCCCCCC(=O)Nc2cccc(C(C)=O)c2)c1 4195941 TUIGEVYBZFYFJT-UHFFFAOYSA-N 422.525 5.400 0 40 HKAB CC(C)=CCC/C(C)=C/CC[C@]1(C)OC(=O)N(C2CC(C)(C)NC(C)(C)C2)[C@]1(C)O 4199114 SBSQPHKKKSELIR-LSRUGUDESA-N 420.638 5.688 0 40 HKAB CCCCCC1CCC(c2nc(-c3ccc(C4CCC(CCC)CC4)cc3)no2)CC1 4258156 QKPQQLDHPHUHMN-UHFFFAOYSA-N 422.657 8.665 0 40 HKAB O=C(CSCc1ccccc1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 4263078 MWNOLWLHYPRRFM-FQEVSTJZSA-N 410.539 5.498 0 40 HKAB COc1ccc(-c2c(C)c3cc(OC(=O)c4ccc(F)cc4)ccc3oc2=O)cc1 4340797 ATNQYCGLCIINOS-UHFFFAOYSA-N 404.393 5.135 0 40 HKAB biogenic Fc1cccc(-c2c3c(nn2-c2ccc(Cl)c(Cl)c2)CCc2ccccc2-3)c1 4568154 MLUVCMKTNLMMIJ-UHFFFAOYSA-N 409.291 6.751 0 40 HKAB FC(F)(F)c1cc(C(F)(F)F)c2c(-c3ccccc3)nn(-c3ccccc3)c2n1 4689823 ABDMUNHVXMORMB-UHFFFAOYSA-N 407.317 6.125 0 40 HKAB CCc1ccc(OCC(=O)NC2CCCCCCCCCCC2)c(Br)c1 4833735 IZOLKGASQUXIJR-UHFFFAOYSA-N 424.423 6.180 0 40 HKAB O=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1ccccc1N1CCCCC1 4896489 JUZWVPNGLGJJST-UHFFFAOYSA-N 413.565 5.318 0 40 HKAB C[C@H]1C[C@H](C)CN(c2cc(-c3ccccc3)nc3cc(-c4ccc(Cl)cc4)nn23)C1 4980504 YQJQWKJRHYIYIP-ROUUACIJSA-N 416.956 6.199 0 40 HKAB COC(=O)c1c(NC(=O)CCSc2ccc(Cl)cc2)sc2c1CCCC2 5191897 YCLXYMMPVOKBQP-UHFFFAOYSA-N 409.960 5.188 0 40 HKAB Cc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cccc(Cl)c2)c1 5223353 UNWDBVYWLLWTRZ-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB CCCC(=O)N[C@H](Nc1cc(Cl)ccc1C(F)(F)F)C(Cl)(Cl)Cl 5417389 AXQQDTBGQDRCLL-NSHDSACASA-N 412.066 5.383 0 40 HKAB O=C(O)CSC(=S)CCCCCCCCCCC(=S)SCC(=O)O 5501066 CAEOGETYMNHSHD-UHFFFAOYSA-N 410.648 5.178 0 40 HKAB CCCC[C@@H](CC)CNP1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 5591075 ZTMBUUVEJZMXSJ-HXUWFJFHSA-N 411.551 7.815 0 40 HKAB Cc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 5814423 ZVNZFXXZGJTNGK-DEOSSOPVSA-N 402.519 5.022 0 40 HKAB COc1cccc(-c2csc(NC(=O)COc3ccc(Cl)cc3Cl)n2)c1 6451304 TZAUFLLWSZCZSX-UHFFFAOYSA-N 409.294 5.143 0 40 HKAB Brc1ccccc1CSc1nnc(C2CC2)n1Cc1ccccc1 6532115 BBPAZTIDCLPULG-UHFFFAOYSA-N 400.345 5.259 0 40 HKAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)Nc3ccccc3)nc2c1 6646318 AQHUVFSOHHJXJY-UHFFFAOYSA-N 400.503 5.641 0 40 HKAB COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3N=C3C=Cc4ccccc4N32)cc1 6831712 XLBCYUJYPMZHMX-SANMLTNESA-N 418.500 5.856 0 40 HKAB COc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCc1c(Cl)cccc1Cl 6857368 DPZWOJIIRDGOJU-UHFFFAOYSA-N 424.412 6.885 0 40 HKAB COc1ccc2oc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)c(C)c2c1 7684878 GNDGYBOIIJBLLC-HNNXBMFYSA-N 406.507 5.379 0 40 HKAB COc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccccc1 8330301 UCCBMWGDXGBUEA-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB C[C@H](NCc1cc(Br)ccc1OCc1ccccc1F)c1ccccc1 8534242 ZYBKZFFVQHDYBD-INIZCTEOSA-N 414.318 6.018 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CN1c1ccc(F)cc1 8756005 VPNJIUBPQQROMW-KRWDZBQOSA-N 419.887 5.398 0 40 HKAB COc1cc(/C=C/c2oc3c(Cl)cc(Cl)cc3c(=O)c2C)cc(OC)c1OC 8884290 HHROLGGZJUJARV-AATRIKPKSA-N 421.276 5.604 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)c1 9291186 WSAXZBBOYVZCQJ-ISKFKSNPSA-N 423.343 6.853 0 40 HKAB COc1ccccc1[C@H]1c2c(-c3ccc(C)cc3)n[nH]c2C(=O)N1[C@@H]1C=CC(F)=CC1 9375000 PLXXGFPCKRYQJD-KOSHJBKYSA-N 415.468 5.121 0 40 HKAB COc1cc(/C=C/C(=O)N2CCC[C@@H]3CCCC[C@@H]32)ccc1OCc1c(C)noc1C 9377931 DZXMYTQQCUBXMW-XLZMOIKOSA-N 424.541 5.073 0 40 HKAB CSc1nc2ccc3nc(Nc4nc5ccc(Cl)cc5s4)sc3c2s1 9381970 PAFYPVSEARSAQR-UHFFFAOYSA-N 420.997 6.635 0 40 HKAB Fc1ccc(-c2nn3c(-c4ccccc4Cl)nnc3s2)cc1Br 9576377 BPBJKLNQWBAYMC-UHFFFAOYSA-N 409.671 5.075 0 40 HKAB Brc1cc2c(c(CSc3nncs3)c1)O[C@H](c1ccccc1)OC2 9589276 DDYNPIJRONWAGE-MRXNPFEDSA-N 421.341 5.201 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1cc3ccccc3o1)CC2 9645467 RLBXZZRVBDXHRA-VWLOTQADSA-N 413.473 5.238 0 40 HKAB O=C(Cc1csc(-c2ccccc2)n1)N[C@@H](c1ccc(F)cc1)c1cccs1 10288808 SZQOBFOCAUGOCG-NRFANRHFSA-N 408.523 5.459 0 40 HKAB Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 10818215 ROYIJUPUMGRYAL-UHFFFAOYSA-N 402.523 5.009 0 40 HKAB CC(=O)Nc1ccc(NCC(=O)Nc2cc(Cl)cc(Cl)c2)c(C(F)(F)F)c1 12634703 JHLUFDZWGYDBID-UHFFFAOYSA-N 420.218 5.021 0 40 HKAB Cn1c(SCCC(=O)Nc2ccccc2F)nnc1-c1ccc(C(C)(C)C)cc1 12825343 UXEFMCNFDWMZJD-UHFFFAOYSA-N 412.534 5.040 0 40 HKAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc2oc3ccccc3c2c1 12831540 PNXKQLJVGPVGPO-UHFFFAOYSA-N 400.409 5.951 0 40 HKAB Cc1cc(C(=O)COC(=O)/C=C/c2cccc3cccnc23)c(C)n1CCC(C)C 12925129 FSRKDOYKBJFRKA-ZHACJKMWSA-N 404.510 5.139 0 40 HKAB c1ccc(-c2cc3c(N4CCC[C@@H]4c4nnc5n4CCCCC5)ncnc3s2)cc1 13021316 DIZWSHCSERAVNU-GOSISDBHSA-N 416.554 5.018 0 40 HKAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1 13097155 QOMQHTKUDVDKSR-ZDUSSCGKSA-N 400.466 5.086 0 40 HKAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccccc1OCc1ccccc1Cl 13108340 UWDBBUSFWHQDOE-UHFFFAOYSA-N 419.864 5.440 0 40 HKAB CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccccc2F)C1=O 13880873 IUTISFYJQRJALE-XKZIYDEJSA-N 421.493 6.003 0 40 HKAB C[C@@H](NC(=O)C[C@@H]1Sc2ccccc2NC1=O)c1ccc(-c2ccccc2)cc1 14241865 IMSXKIHUOFRRPA-ZHRRBRCNSA-N 402.519 5.034 0 40 HKAB Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2c1[C@H](c1cccc(O)c1)CC(=O)N2 15107546 BDPBOMYIAQEFAC-INIZCTEOSA-N 412.898 5.142 0 40 HKAB COC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 16757755 MSOQWNITYUUUHN-AWEZNQCLSA-N 423.925 5.395 0 40 HKAB COc1ccc(C(=O)Nc2cc(-n3c(C)c(C)c4ccccc43)c(O)c(C)c2C)cc1 16779695 CHMSLSUYBAIJRS-UHFFFAOYSA-N 414.505 5.831 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc2c(C)cc(C)cc2s1 17087609 QEBCRHAPVWVJKI-SNAWJCMRSA-N 407.322 5.880 0 40 HKAB Cc1cc(NC(=O)COc2cccc3ccccc23)ccc1NC(=O)c1ccccc1 17088508 LEONQRCUVSTBDF-UHFFFAOYSA-N 410.473 5.418 0 40 HKAB CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 18323581 NEMDWVAFHRGICR-CBKSTNSXSA-N 414.933 5.169 0 40 HKAB Cc1cc2occ(CC(=O)N3CCC[C@H]3c3nnc(-c4ccsc4)o3)c2cc1C 19125422 OCVOSFCDXYLRMH-SFHVURJKSA-N 407.495 5.067 0 40 HKAB C[C@@H]1CC(=O)c2c(Nc3ccc(Cl)cc3)nn(-c3nc4ccccc4s3)c2C1 19817235 SPAJEYFBNKHUAB-LBPRGKRZSA-N 408.914 5.644 0 40 HKAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 20046131 IPLDJYPNRFVMCO-QHCPKHFHSA-N 407.535 5.784 0 40 HKAB CCCCN(C)c1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 20082984 LVNLWYZNWPCFDJ-UHFFFAOYSA-N 409.603 5.345 0 40 HKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc3n2)cc1 20610598 NYQHIRUBDWRTSO-LHHJGKSTSA-N 416.912 5.849 0 40 HKAB Cc1cc(C)c(Cn2c([C@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)c(C)c1 31903634 XURNRRNGWIBIGW-QFIPXVFZSA-N 423.560 5.839 0 40 HKAB COc1ccccc1-c1c(-c2ccc(Cl)cc2)c2cc3c(cc2[nH]c1=O)OCCO3 35327067 UFFSEIJALKUBMT-UHFFFAOYSA-N 419.864 5.295 0 40 HKAB CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 40149075 XEVFPWCGJMYXOK-INIZCTEOSA-N 424.488 5.538 0 40 HKAB O=C(CSc1ccc(-c2ccc(C3CCCCC3)cc2)nn1)c1ccc(F)cc1 57486331 VYSJAUAYTVGUPB-UHFFFAOYSA-N 406.526 6.305 0 40 HKAB COc1c(C)cccc1CN1CCC[C@@H](c2noc3nc(C)cc(C(F)(F)F)c23)C1 57774457 XWIWNSJKYYQGFI-OAHLLOKOSA-N 419.447 5.247 0 40 HKAB Cc1cc(Cl)ccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 67294592 CYZNMSSNAPDFOG-VYIQYICTSA-N 423.299 6.533 0 40 HKAB CCCCOC(=O)c1ccc(NC(=S)Nc2cccc(OC(F)(F)F)c2)cc1 71760844 AGTQWFIRTCYHAV-UHFFFAOYSA-N 412.433 5.351 0 40 HKAB CC(C)N1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215762 LDLQZUFODNTRQY-OAQYLSRUSA-N 401.595 6.091 0 40 HKAB Cc1nc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5cccs5)n4)C3)ccc2[nH]1 72350732 FTBBTINMVZWKIA-QGZVFWFLSA-N 402.523 5.015 0 40 HKAB Cc1cc(C)c2nc(-c3cc(Br)c(N)c(Br)c3)sc2c1 73635439 UPQJEIWXKWHOSE-UHFFFAOYSA-N 412.150 5.687 0 40 HKAB COc1ccc2c(C(F)(F)F)cc(SCc3c(F)cccc3Cl)nc2c1 85565126 YQXGDWARHORNQM-UHFFFAOYSA-N 401.812 6.347 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccccc3C)on2)sc2c1CC[C@@H](C)C2 96319641 IDQXMLQWVMLRIN-CYBMUJFWSA-N 424.522 5.265 0 40 HKAB CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1F 107042286 PYCYRQIFRVXWMX-UHFFFAOYSA-N 415.892 6.078 0 40 HKAB CC[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(OC)cc1 219772857 SDIUUWVYZBVTSD-QFIPXVFZSA-N 409.913 5.809 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)c1cc2cc3ccccc3nc2s1 223133614 DQCVAOWQKQGRHP-UHFFFAOYSA-N 412.539 6.853 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)c2cc3c(ccc4ccccc43)o2)cc1C(C)C 223308033 RDDKSIKFRNDCQE-QGZVFWFLSA-N 401.506 6.517 0 40 HKAB CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 223943858 XEEAQADFAIZBEV-IBGZPJMESA-N 416.587 5.050 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1Cl 225354183 RUJMQKYYNGDJEV-OAHLLOKOSA-N 408.885 5.092 0 40 HKAB Cc1cccc([C@H](NC(=S)Nc2ccc(Br)cc2)c2ccccc2)c1 225698119 SNNLGQCPITXHNP-HXUWFJFHSA-N 411.368 5.834 0 40 HKAB O=C1c2ccccc2CN1c1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 226286113 WQFXYAOAAXJEJA-UHFFFAOYSA-N 402.453 6.322 0 40 HKAB Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(Cl)c1 227148272 WCLSPUFOFXAPMZ-XBXARRHUSA-N 407.684 6.141 0 40 HKAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2NC(c1ccccc1)(c1ccccc1)c1ccccc1 245240658 RDWRBYXTTMJESU-PNIUZAESSA-N 409.573 5.962 0 40 HKAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1cc(Cl)ccc1OC 408563664 WHAZLJXLAHZXFN-ATJXCDBQSA-N 421.349 5.601 0 40 HKAB Cc1ccc(CNC(=S)c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 408578185 WORNLVWXWVZSEF-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB O=C(CSc1nc(O)c2ccccc2n1)Nc1cc(Cl)c(Cl)cc1Cl 408599821 LNSYLNNYUSFQFZ-UHFFFAOYSA-N 414.701 5.026 0 40 HKAB Cc1cccc(COc2ccccc2/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)c1 409041403 VQGNONHNDCQTKR-JWGURIENSA-N 414.530 5.178 0 40 HKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc23)cc1Cl 409110432 BYMZEWPESDPKHP-UHFFFAOYSA-N 422.355 7.646 0 40 HKAB O=C1S/C(=C/c2cccn2-c2ccc(F)cc2)C(=O)N1CCCc1ccccc1 409134430 SPOGCTKTWGJBTF-LTGZKZEYSA-N 406.482 5.286 0 40 HKAB COc1cc([C@@H]2CC(=O)c3c(ccc4ccccc34)N2)ccc1OCc1ccccc1 844697 KJDGNHBSZTUIEI-QHCPKHFHSA-N 409.485 6.167 0 40 HKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2cccs2)CC1 981372 VGKLWMXJWWNSBH-UHFFFAOYSA-N 417.745 5.199 0 40 HKAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1cccc2ccccc12 1049852 HPZAMPZRAUWBQU-UHFFFAOYSA-N 411.486 5.656 0 40 HKAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2Cl)cc1 2145520 JPGPAMWYYRYUJY-UHFFFAOYSA-N 417.745 5.561 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C1\SC(=O)N(c2ccc(Cl)cc2)C1=O 2165142 NEAUYNIXHFABCQ-AUWJEWJLSA-N 414.697 5.896 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)COc2ccccc2)cc1 2721192 KKOWACIAHDMMGZ-UHFFFAOYSA-N 416.546 5.431 0 40 HKAB COC(=O)c1c(NC(=O)c2cccc(OC(C)C)c2)sc(C)c1-c1ccc(C)cc1 2756521 JSQWZTRKKLQHNK-UHFFFAOYSA-N 423.534 5.858 0 40 HKAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4c(C)cccc4C)c3n2)cc1 2770288 BQMUJTFNHKIIDW-UHFFFAOYSA-N 406.436 5.511 0 40 HKAB COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3ccsc3c2=O)cc1 2909016 MYHRSSHMGMZNBS-UHFFFAOYSA-N 408.548 5.116 0 40 HKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(Br)cc1 3139974 OEYRJUKHXJHUKM-UHFFFAOYSA-N 409.308 5.978 0 40 HKAB Cc1cccc(-n2c(S[C@@H]3CCCCC3=O)nnc2-c2c[nH]c3ccccc23)c1 3292094 HGAPILCMYBVGDT-OAQYLSRUSA-N 402.523 5.328 0 40 HKAB COCCNc1nnc(SCc2cnc(-c3ccc(C(C)C)cc3)s2)s1 3333328 YPJHZTMHXKYGIG-UHFFFAOYSA-N 406.602 5.136 0 40 HKAB O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cccc(Br)c3)[C@@H]12 4119530 MMLHVFADLFMJOB-KNQAVFIVSA-N 420.331 6.229 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 4278859 SJIQBXJPVCQJCX-UHFFFAOYSA-N 404.491 5.708 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 4812111 SDYOYTXCRLXSQR-AZGAKELHSA-N 412.533 6.235 0 40 HKAB Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 4812355 JQZQIJFMKOOPFP-DHIUTWEWSA-N 412.880 5.144 0 40 HKAB Cc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(Cl)cc4)c3n2)cc1 5274815 HQLHTNLQBLODFX-UHFFFAOYSA-N 401.819 6.377 0 40 HKAB COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2cccc(Cl)c2)c1 5346646 SMHXYJNXPUUCAD-UHFFFAOYSA-N 405.837 5.374 0 40 HKAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1ccccc1Cc1ccccc1)CC2 5353294 HISMVDZDOMPKAU-SFHVURJKSA-N 401.506 5.054 0 40 HKAB Cc1cc2oc(=O)cc(CSCc3ccc(Br)cc3)c2cc1C(C)C 5958234 GCEFELUHMCKHCY-UHFFFAOYSA-N 417.368 6.421 0 40 HKAB Cc1nn(-c2cccc(Cl)c2)nc1C(=O)Nc1ccccc1Cc1ccccc1 6083243 XAHPCEKTQVJLLM-UHFFFAOYSA-N 402.885 5.072 0 40 HKAB Cc1ccc(SCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1C 7407315 WSJHHELVJNBYKW-UHFFFAOYSA-N 406.555 5.019 0 40 HKAB O=C(CSc1ccc2ccccc2c1)Nc1ccccc1C(=O)NCc1ccco1 8313007 LBMSVRGKSVVRSV-UHFFFAOYSA-N 416.502 5.094 0 40 HKAB Cc1ccc(NC(=O)Cn2c(NCc3ccccc3)nc3ccccc32)c(Cl)c1 8344197 ZIGMMFWNZAWVCB-UHFFFAOYSA-N 404.901 5.249 0 40 HKAB N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1cccc2ccccc12)C(=O)O 8638136 WUEMKWIMYPFRNV-DEOSSOPVSA-N 413.542 5.277 0 40 HKAB COc1ccc2c(c1)CCc1cc3cc(Br)cc(Br)c3nc1-2 8857374 YLINVHLZPXRCQW-UHFFFAOYSA-N 419.116 5.534 0 40 HKAB O=C(Nc1ccccc1)c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1 9101134 RZARGVDPSKBWNK-UHFFFAOYSA-N 419.431 5.041 0 40 HKAB Fc1cccc(-c2nnc([C@@H](Nc3ccc(Cl)cc3)c3ccc(Cl)cc3)o2)c1 9606515 CCJJSRCDFAKWJI-IBGZPJMESA-N 414.267 6.384 0 40 HKAB CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CSc2nncs2)cc1 11577797 UBGUKQBPBAJOCC-UHFFFAOYSA-N 421.931 5.113 0 40 HKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 12137635 LERCKRNFHKZKSX-QHCPKHFHSA-N 408.542 5.196 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CCNc3ccc(C)c(C)c3)cc2)cc1 12461858 GBEUIZITCOUWII-UHFFFAOYSA-N 422.550 5.098 0 40 HKAB C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 12566665 RQOIEPALVVSQJW-SECBINFHSA-N 416.877 6.088 0 40 HKAB CCc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 12575852 FLNVIAFLZZMIIR-ATIYNZHBSA-N 412.489 5.263 0 40 HKAB Cc1cc(=O)oc2cc(OCc3nc(-c4ccc(Cl)cc4)no3)c(Cl)cc12 12859893 ZKYJSOPFIYJQCX-UHFFFAOYSA-N 403.221 5.037 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)cc1 13940496 BBSAJVOLHPEMIN-UHFFFAOYSA-N 422.887 6.837 0 40 HKAB COc1ccc(-c2c(C)nn3c2N=C(c2ccc(C)cc2)C[C@H]3c2ccccn2)cc1 14607599 DGBZOVQXAJYXIF-DEOSSOPVSA-N 408.505 5.684 0 40 HKAB CCOc1ccc(Oc2ccc(NC(=O)c3ccc4c(c3)NC(=O)CS4)cc2)cc1 14792066 PSHDDFUSOYDHFA-UHFFFAOYSA-N 420.490 5.174 0 40 HKAB Cc1ccc(/C=C2\SC(=O)N(CNc3c(C)cc(Br)cc3C)C2=O)o1 14922880 WFALWBKUVQNXPV-NVNXTCNLSA-N 421.316 5.073 0 40 HKAB C[C@@H](Oc1ccccc1)C(=O)Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1 15821238 JRZRMMYLAGZTHZ-QGZVFWFLSA-N 417.896 5.599 0 40 HKAB CCOC(=O)c1ccc(COC(=O)c2ccc(COc3ccc(C)c(C)c3)cc2)cc1 16687811 WCZKSGDRTREDKZ-UHFFFAOYSA-N 418.489 5.416 0 40 HKAB C[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(Cl)cc1 16912633 BVCPWLDVVNGLEY-KRWDZBQOSA-N 420.940 5.223 0 40 HKAB CC(C)CC(=O)N1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(C(F)(F)F)cc1 19713763 DHODLKPCSIENSQ-DENIHFKCSA-N 424.507 5.014 0 40 HKAB CC(C)c1ccc(NC(=O)Nc2ccccc2C(=O)Nc2ccc(C(C)C)cc2)cc1 20246653 HPXNBLPCYTZWLH-UHFFFAOYSA-N 415.537 6.830 0 40 HKAB CC(C)c1ccc(-c2noc(CCC(=O)N(C)Cc3nc4ccccc4s3)n2)cc1 23444437 VDXUYHBSHSIJDP-UHFFFAOYSA-N 420.538 5.061 0 40 HKAB O=C(N[C@@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl)c1cccs1 26771299 MCZYGTMALVYGFC-LBPRGKRZSA-N 419.544 5.560 0 40 HKAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCSCc1c(Cl)cccc1Cl 30752693 FNGGTFVCJLGFHE-IBGZPJMESA-N 412.382 5.509 0 40 HKAB Cc1ccc(NC(=S)N(CCc2nc3ccccc3[nH]2)Cc2ccc(F)cc2)cc1 35290200 CGAUNEKAEBIIRZ-UHFFFAOYSA-N 418.541 5.452 0 40 HKAB Cc1cc(C)n(CCCNc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)n1 36613785 UFPVBXOVSVYAPU-UHFFFAOYSA-N 409.843 5.131 0 40 HKAB Cc1noc(C)c1[C@@H](C)C(=O)N[C@H](c1ccccc1)c1ccc(Br)cc1 58426827 WNWGSYSGBSDRTD-ZUOKHONESA-N 413.315 5.063 0 40 HKAB C=Cc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)cc1 67259893 GMUUGSUHAUMVRP-UHFFFAOYSA-N 408.523 5.581 0 40 HKAB CC(C)CN1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215685 PQHYYCHCQJKIFH-OAQYLSRUSA-N 401.595 5.949 0 40 HKAB C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2sccc2C2CC2)cc1Cl 89929741 OMZDOZNAAZFSLZ-ZDUSSCGKSA-N 402.947 5.546 0 40 HKAB FC(F)(F)[C@H]1CCCN(Cc2ccccc2CN2CCC[C@@H](C(F)(F)F)C2)C1 95953785 CFRFOCRTJYWZJH-HDICACEKSA-N 408.430 5.235 0 40 HKAB COc1cc(CNc2ccc(F)c(Cl)c2)cc(Br)c1OC(C)C 106989573 LDTGUWSOCATILM-UHFFFAOYSA-N 402.691 5.650 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccccc1OCc1ccc(F)cc1 108064474 QCXXWHZRLFRWBA-OAQYLSRUSA-N 424.497 5.173 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 118927667 CGHGJNRXRSZLJH-MVKBOHMRSA-N 414.674 7.729 0 40 HKAB Cc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 136467156 CZXVQJVCWMCNKX-STPMEKMUSA-N 417.508 5.419 0 40 HKAB Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc4ccccc34)o2)cc1C 216031685 KANHZDUIJOTZLF-UHFFFAOYSA-N 419.506 5.149 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 222683384 MFCPWLAJDBUOOT-INIZCTEOSA-N 422.337 5.616 0 40 HKAB Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223108255 PVINMNAGFZMGNV-GOTSBHOMSA-N 420.557 5.317 0 40 HKAB O=C(CSCc1c(F)cccc1Cl)NCCOc1cccc2ccccc12 223511023 GTBUEHRTVAESSN-UHFFFAOYSA-N 403.906 5.061 0 40 HKAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225450614 GRTPECMGKKVPFF-VXKWHMMOSA-N 422.613 5.117 0 40 HKAB Cc1cccc(CN(C(=O)CCc2cccc3ccccc23)[C@@H](C)C(=O)NC(C)C)c1 225513578 LUFMHIPLMDLHPB-NRFANRHFSA-N 416.565 5.023 0 40 HKAB COc1ccc(Cl)cc1NC(=O)NCC1(c2ccc([C@@H](C)O)s2)CCCC1 225686110 IMVRRBHBXHWGNN-CYBMUJFWSA-N 408.951 5.097 0 40 HKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 225836090 UKEGDFZDBPKGRT-UHFFFAOYSA-N 403.404 5.450 0 40 HKAB CC1CCC(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)CC1 229589820 WWWZAHVVNUHEMR-PVWAMWICSA-N 407.510 5.195 0 40 HKAB CCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 253611255 HVJCKZFYZWPQOO-PPUYEYNDSA-N 414.718 8.433 0 40 HKAB CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(Cl)c1OCC 408560418 ZIUYWATYMBSDBG-UHFFFAOYSA-N 419.146 6.165 0 40 HKAB O=C(Nc1ccccc1Cl)c1cc(Br)ccc1OCc1ccccc1 408585870 JSGZKXKVYWGPLF-UHFFFAOYSA-N 416.702 5.934 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(Cl)cc2)c1 408699365 TVDJXMFPNAIHIS-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB CCOc1ccc(-c2nc(Nc3ccc(Cl)cc3Cl)sc2CC(=O)O)cc1 408892557 CMVOUCYOTGGMCG-UHFFFAOYSA-N 423.321 5.886 0 40 HKAB O=C(CSCc1ccccc1)NCCSCc1c(Cl)cccc1Cl 409026821 ZARXBEQMDNVGNI-UHFFFAOYSA-N 400.396 5.276 0 40 HKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc3ccccc23)cc1 409094030 CQTXYURYJIYRMQ-UHFFFAOYSA-N 421.569 6.612 0 40 HKAB O=C1N/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1c1ccc(Cl)cc1 409172544 KLYZOQDSGBJKNV-FYJGNVAPSA-N 422.843 5.155 0 40 HKAB CCCN1C(=O)N/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O 409238520 DTGFEUVTIZVLKE-HZHRSRAPSA-N 409.489 5.146 0 40 HKAB C1CC[C@H]2[C@@H](C1)CC[C@H]1OP(N3CCOCC3)O[C@H]3CC[C@H]4CCCC[C@H]4[C@@H]3[C@@H]21 605657971 YEXACWBKUOEFKR-YPOKJQQUSA-N 421.562 5.762 0 40 HKAB Cc1ccc(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1C 639588 CFCQRVVJTALKIQ-IBGZPJMESA-N 413.348 6.191 0 40 HKAB COc1cccc2c1N(C(=O)CCc1ccccc1)C(C)(C)c1ssc(=O)c1-2 801459 QNEDUSOQWXWEKK-UHFFFAOYSA-N 411.548 5.060 0 40 HKAB CN(C(=O)c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)cs1 932751 OZQXQYSXIPNTFK-UHFFFAOYSA-N 407.720 5.503 0 40 HKAB O=C(NCCc1ccccc1)c1ccc(Nc2ccc(OCc3ccccc3)cc2)nc1 1341027 GTOOBADXBDFWEG-UHFFFAOYSA-N 423.516 5.377 0 40 HKAB Cc1nc(SCC(=O)c2c[nH]c3ccccc23)c2c3c(sc2n1)C[C@@H](C)CC3 1375703 DKOSPYUJVSXONO-LBPRGKRZSA-N 407.564 5.581 0 40 HKAB Cc1cccc(-c2nc3cc(NC(=S)NC(=O)Cc4ccccc4)ccc3o2)c1C 1413981 QJNWNCOXDINXDS-UHFFFAOYSA-N 415.518 5.167 0 40 HKAB Cc1cccc(-n2c(SCCc3ccccc3)nc3sc(C)c(C)c3c2=O)c1 2143336 OSUFVERQTIGQRH-UHFFFAOYSA-N 406.576 5.707 0 40 HKAB Brc1cccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2)c1 2247099 YCLAVXLGCMEXOS-UHFFFAOYSA-N 415.294 5.457 0 40 HKAB Cc1ccc(OCc2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)cc1 2393725 GOZARUMDDPNQKH-UHFFFAOYSA-N 410.521 5.437 0 40 HKAB Clc1ccc(-n2c(Cc3cccs3)nnc2SC/C=C/c2ccccc2)cc1 2440338 BURJXMGGVMKAMF-XBXARRHUSA-N 423.994 6.379 0 40 HKAB COc1ccc(-c2nnc(SCc3cccc(Cl)c3)n2-c2ccccc2)cc1 2448437 JGMUGIFDQICBMA-UHFFFAOYSA-N 407.926 5.889 0 40 HKAB CCCN(CCC)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 2714907 XJFSLKRDUWQQGI-UHFFFAOYSA-N 418.972 6.676 0 40 HKAB Cc1ccc(NC(=O)CSc2nccc(-c3cc(Cl)cc(Cl)c3)n2)cc1 2809591 ORPAKMUQFNGRQW-UHFFFAOYSA-N 404.322 5.490 0 40 HKAB CCc1ccc(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)cc1 3214145 HBABTCIRJRURQQ-UHFFFAOYSA-N 412.514 5.856 0 40 HKAB CC(=O)N(CC[C@@]1(CCC(C)C)CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 4073834 XWMIUMVWBFLXPQ-SANMLTNESA-N 417.634 6.224 0 40 HKAB biogenic CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 4273507 VUCDSTCRVYGRSG-WKTBBZJVSA-N 400.647 6.568 0 40 HKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)C3CCCCC3)C3CCCCC3)cc2c1 4861280 WPUPSLGXUJMJMM-UHFFFAOYSA-N 413.005 6.747 0 40 HKAB Cc1ccc(-c2cs/c(=N/c3ccccc3)n2CCc2c[nH]c3ccccc23)cc1 5274671 GXYPZLREBRLWGM-BYCLXTJYSA-N 409.558 6.481 0 40 HKAB Cc1sc(NC(=O)c2ccco2)c([C@H](c2cccnc2)N2CCC(C)CC2)c1C 5811641 ZGVVIDFNOLEKRA-NRFANRHFSA-N 409.555 5.427 0 40 HKAB CC1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 6591514 UBCZMBMLIFIWAW-BGWLNWIQSA-N 411.343 5.899 0 40 HKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2cccs2)n(C[C@H]2CCCO2)c1C 6665132 YBMGKLKPWKRZQH-MRXNPFEDSA-N 420.538 5.141 0 40 HKAB CCN(CC)C(=O)c1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 7408498 SQMUWFCSWYCOQA-HSZRJFAPSA-N 418.562 5.641 0 40 HKAB COc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 8534232 AWCYTFMFXNWFKD-INIZCTEOSA-N 416.348 6.432 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC)cc1 8958855 FALAXWZHGMPUKC-UHFFFAOYSA-N 424.541 5.279 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)cc1 9135276 LGOQGZVEKKKSHS-UHFFFAOYSA-N 408.841 5.349 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 9190459 MBSVYAHAKPMCOW-GFCCVEGCSA-N 419.264 5.245 0 40 HKAB Cc1c(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)oc2ccccc12 9516987 VRULAOBDYKHRJI-UHFFFAOYSA-N 407.470 5.449 0 40 HKAB Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1 9573339 PRCMSGRDLBBMKM-UHFFFAOYSA-N 423.520 5.534 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3)cc2C)cc1 10314345 FKDYYSFBRDEPIQ-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB C[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccccc1Br 12778433 FAUAJUMCORJHDI-NSHDSACASA-N 407.358 5.054 0 40 HKAB CC(C)c1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2N=CNC2=N3)cc1 13213820 LHYMXWLJPVVZKC-JWQCQUIFSA-N 421.504 5.009 0 40 HKAB Cc1ccc(C(=O)[C@@H]2CN(C)[C@@H](c3cccs3)[C@@H]2C(=O)c2ccc(C)cc2)cc1 13399237 XNDXEIYARWEMSV-MZYLBHOOSA-N 403.547 5.350 0 40 HKAB COc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2Cl)c1 13768470 ANWAOCFDRKHYRJ-UHFFFAOYSA-N 418.880 5.037 0 40 HKAB CCc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1 13946063 HDNDRYUSLRCXQY-UHFFFAOYSA-N 418.518 5.552 0 40 HKAB COc1cc2c(cc1NC(=O)Cc1c(Cl)cc(C)nc1Cl)oc1ccccc12 15191119 YCBMPIHTPONMAC-UHFFFAOYSA-N 415.276 5.786 0 40 HKAB Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccc3c(c1)OCO3)O2 15922417 QYAZPZSJUGNPES-XXBNENTESA-N 404.853 5.311 0 40 HKAB O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1CNc1ccc(Cl)c(Cl)c1 16400169 JXAHIJYSNJRRNS-VIZOYTHASA-N 413.713 5.753 0 40 HKAB Fc1ccccc1COc1ccc(Br)cc1CNC1CCCCCC1 16449944 CYFGJDWZTACSAH-UHFFFAOYSA-N 406.339 5.980 0 40 HKAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccccc1Cl 16705179 NLQWJIQZTCIDLW-UHFFFAOYSA-N 401.691 5.725 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc2c(Cl)cccc12 17091672 NIMVRLXSPDMQEO-UHFFFAOYSA-N 418.846 6.365 0 40 HKAB FC(F)Oc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)n(C3CCCC3)n2)cc1 17092138 KOPTZYDLXQDMOR-UHFFFAOYSA-N 420.406 6.535 0 40 HKAB CC(C)(C)C(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 19081273 VLPBBPFGMHFHCO-LJQANCHMSA-N 415.541 5.034 0 40 HKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)cc2)C1 20483797 QVZQVYMJSVHPLP-FQEVSTJZSA-N 416.590 6.322 0 40 HKAB CCCCOc1ccccc1[C@@H]1CC(=O)Nc2c1cc(Br)c1ccccc21 20851407 WOAOETWOLYYIQG-SFHVURJKSA-N 424.338 6.255 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCC[C@H]3c3cccs3)c2n1 21844085 XCMCTIMJRRNOPT-INIZCTEOSA-N 421.349 5.654 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1cccc(Cl)c1 22072350 KVGKMSGBPLCLEB-UHFFFAOYSA-N 402.679 5.493 0 40 HKAB CCN1CCc2c(sc(NC(=O)c3ccccc3)c2-c2nc3ccccc3s2)C1 23153839 DRNGBVUQJYUOFQ-UHFFFAOYSA-N 419.575 5.655 0 40 HKAB Cc1cccc(-n2c(=S)n(CN3CC=C(c4ccccc4)CC3)c3ccccc32)c1 25315340 BDFGAHMMLVDMIQ-UHFFFAOYSA-N 411.574 6.217 0 40 HKAB Cc1ccc(N(C(=O)c2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 27018929 MYZCTAIJHNCLFW-UHFFFAOYSA-N 420.317 5.338 0 40 HKAB C[C@@H]1Cc2cc(-c3cc(C(=O)Nc4nc5ccc(Cl)cc5s4)no3)ccc2O1 27792863 CMYDBUBFVSJOAV-SNVBAGLBSA-N 411.870 5.180 0 40 HKAB O=C(COc1ccc(Cl)cc1)N(Cc1c(F)cccc1Cl)c1ccccn1 28289590 MUVKTHYRLFYOIT-UHFFFAOYSA-N 405.256 5.140 0 40 HKAB CCN(CC)[C@@H](CNC(=O)COc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1 28290602 XHIWTVWRNROGJK-QFIPXVFZSA-N 416.993 5.216 0 40 HKAB COc1ccc(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 28579242 VWLMGEJQBVEZPM-UHFFFAOYSA-N 422.333 5.398 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)c3cc4cc(C)ccc4nc3C)n2)c1 29266664 IDJVJXVWCSYQBW-UHFFFAOYSA-N 419.506 5.245 0 40 HKAB Cc1ccc(-c2nnc([C@H](C)NC[C@@H](c3ccccc3)c3c[nH]c4ccccc34)o2)cc1 32739730 XYFRCCKMMPMNHM-CVDCTZTESA-N 422.532 6.009 0 40 HKAB CCc1cccc(CC)c1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 37208940 YTNALBCSZGFTBD-HSZRJFAPSA-N 410.608 5.521 0 40 HKAB Cc1nc(Cc2nnc(SC(c3ccc(F)cc3)c3ccc(F)cc3)o2)cs1 41293781 CMKNSQBSOHCCIO-UHFFFAOYSA-N 415.490 5.585 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc3[nH]c4ccccc4c3c2)c(Br)c1 44781933 BUFKDELRRMRSTP-UHFFFAOYSA-N 423.310 5.664 0 40 HKAB COc1ccc(C(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c2ccc(OC)cc2)cc1 48331747 RZECPXWSLABXJI-QZTJIDSGSA-N 421.459 5.278 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(F)ccc1C 49005043 YCPQDJGCMOQXJR-SFHVURJKSA-N 406.505 5.534 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1cc(NCc2ccccc2Cl)ncn1 49006707 AVLZXDSIBAKIFX-UHFFFAOYSA-N 412.946 5.090 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 49708040 YEYCQJVCAMFWCO-VOWOZTGGSA-N 414.674 7.569 0 40 HKAB biogenic CCOCc1ccccc1NC(=O)N(C)[C@H](c1ccncc1)c1ccc(Cl)cc1 89988695 WPTJUVQMEKXNOC-QFIPXVFZSA-N 409.917 5.525 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1 100748663 QXMLLPPWQYFRSJ-WEJAWSEMSA-N 407.469 5.190 0 40 HKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccccc1OC(F)F 102202483 QKMMGRCAQUJITQ-NYYJTOMGSA-N 414.290 5.351 0 40 HKAB OC1=C2C(=Nc3nonc3N[C@@H]2c2cccc(O)c2)C[C@H](c2ccc(Cl)cc2)C1 102741901 IPZVVDZDIAOFCN-ORAYPTAESA-N 408.845 5.058 0 40 HKAB Cc1ccc(COc2c(Cl)cc(Cl)cc2CNc2ccc(C)c(C)c2)cc1 106974602 XETOGSNNLQGCRW-UHFFFAOYSA-N 400.349 7.110 0 40 HKAB CCc1nnc(S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)O)o1 213414888 HYXCITMVCVNLTC-BOPFTXTBSA-N 416.886 5.082 0 40 HKAB O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccc(Cl)cc1 214143499 DFQGDFLPZYNQEZ-KGENOOAVSA-N 421.905 6.369 0 40 HKAB C[C@H]1CC[C@@](C)([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)C1(C)C 217715709 FZKJXOHSHQMYDW-USUFYUJYSA-N 421.537 5.441 0 40 HKAB CCc1ccc(OCC(=O)N[C@H](CC)c2ccc(C)cc2C)c(Br)c1 218868090 IPDAFGALDVXBBU-LJQANCHMSA-N 404.348 5.275 0 40 HKAB COc1ccc(CCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1C 222681837 CGMLRLAGPRTCRE-UHFFFAOYSA-N 403.566 6.043 0 40 HKAB Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 223106722 NCGLIUOXJDVBSD-ZEQRLZLVSA-N 416.594 5.486 0 40 HKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223106847 RJCCLYCDGAGBDI-RPWUZVMVSA-N 416.594 5.486 0 40 HKAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 223191710 UJLVJWPQAIJMFT-OAHLLOKOSA-N 418.375 5.565 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H](c2ccccc2)c2ccccc2C)c1 223420325 HYQFJRSLYRWATQ-HFZDXXHNSA-N 401.550 6.100 0 40 HKAB COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 224834249 IASVJNMAEDFERZ-UHFFFAOYSA-N 416.521 5.806 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCN3CCCC[C@@H]3C)cc2)CCC(C)CC1 225668722 KKFNYMWOAOVDKT-JQJXBVGUSA-N 416.606 5.254 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1snnc1-c1ccc(Br)cc1 225783687 QYKAALINWVJIBN-UHFFFAOYSA-N 408.708 5.182 0 40 HKAB COc1ccc(NC(=S)NCCCc2cccc3ccccc23)c2cccnc12 225809623 XGWVDDPRIAGCHE-UHFFFAOYSA-N 401.535 5.316 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c(C(F)(F)F)c3)CCCC2)cc1 225955818 WUIUJNAIZGRQBI-UHFFFAOYSA-N 405.460 6.252 0 40 HKAB Cc1ccccc1CNC(=S)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408572722 HWKZQOCKPUHQJB-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Br)c2ccccc12 408598850 BVUSIOWSUDMKCN-UHFFFAOYSA-N 412.312 5.209 0 40 HKAB COc1ccc(Cl)cc1NC(=O)C(=O)c1c(-c2ccc(C)cc2)cc2ccccn12 408679957 XCPLYSPEFRYJEV-UHFFFAOYSA-N 418.880 5.398 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)c1C 408695833 SYZXUKCECHUKIJ-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 408699735 WALYYQFNNNFGMV-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1C 409095772 IVBKCCOHVIRZHK-UHFFFAOYSA-N 405.954 6.497 0 40 HKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)cc1C 409122216 ZALVKRXKYJASIM-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB Cc1ccccc1NCc1ccc(OCc2ccc(Br)cc2)c(Cl)c1 409137055 WEJUULLKVRCMQK-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB COCCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3)c3ccccc23)C1=O 409222446 XDWGEYMTCILBPH-PXLXIMEGSA-N 420.534 5.071 0 40 HKAB COc1ccc([C@@H](NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C(C)C)cc1 604418505 FPZOAKSCSHFQDN-YADHBBJMSA-N 406.530 5.205 0 40 HKAB COc1cc(NC(=O)c2cc3ccccc3o2)ccc1NC(=O)c1ccccc1Cl 1108279 ZOFOQKATSBUOJM-UHFFFAOYSA-N 420.852 5.599 0 40 HKAB O=C1N(c2cccc3ccccc23)[C@H](c2ccc(Br)cc2)N2CCCN12 1252742 MRJXYMLZHFRGMG-HXUWFJFHSA-N 408.299 5.164 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)Nc3ccccc3)cc2c1 1353114 DRFCQAJNDIQKAH-UHFFFAOYSA-N 403.507 5.132 0 40 HKAB CCCCc1ccc(-n2c(-c3ccc(OC)cc3)nc3nc4ccccc4nc32)cc1 2252866 IMWVPOSDEMJXRQ-UHFFFAOYSA-N 408.505 5.987 0 40 HKAB COc1cccc([C@@H]2C=C(Nc3ccc(C)c(C)c3)C(=O)N2c2ccc(C)c(C)c2)c1 2347831 LSYAPUNUDWMLKL-SANMLTNESA-N 412.533 6.013 0 40 HKAB CC(C)OC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 2449338 BFJNCKXVZONGFA-UHFFFAOYSA-N 422.337 5.285 0 40 HKAB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)OCc1cccc2ccccc12 2630232 WQQCZRUFERBWLN-CCEZHUSRSA-N 416.908 5.803 0 40 HKAB O=C(Nc1ccc2oc3ccccc3c2c1)c1cc(Br)ccc1Cl 2663634 OEEQWZHVLLHHPX-UHFFFAOYSA-N 400.659 6.254 0 40 HKAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccc(Cl)cc1Cl 3008128 ZSTQNTPXJKLQTN-UHFFFAOYSA-N 408.285 5.317 0 40 HKAB O=C(Nc1ccccc1Cl)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 3012981 ACYGOXPBOVFQTQ-DZGCQCFKSA-N 410.783 5.042 0 40 HKAB CC(C)(C)CC(C)(C)NC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 3013004 LKKYNGHAJCLEKD-DZGCQCFKSA-N 412.456 5.081 0 40 HKAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)/C=C/c1cc(Br)ccc1F 3324960 XUUFXWRDLOZEPI-RMKNXTFCSA-N 419.334 6.259 0 40 HKAB Cc1cc2oc(=O)cc(COC(=O)c3cnc(Cl)c(Cl)c3)c2cc1C(C)C 3347826 CZGIJQXQSGPLAX-UHFFFAOYSA-N 406.265 5.284 0 40 HKAB COc1cccc(NC(=O)Cc2nc(-c3ccccc3)sc2-c2ccc(C)cc2)c1 3414192 VZACJKLXQJTVFJ-UHFFFAOYSA-N 414.530 5.975 0 40 HKAB aggregator CCCCCc1ccc(C(=O)N2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)cc1 4289412 KGBQKUKUEVMJHQ-ZRBLBEILSA-N 412.618 5.355 0 40 HKAB C[C@H](NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)c1ccccc1 4349912 DTDNSFZMSVCWOB-AWEZNQCLSA-N 417.456 5.132 0 40 HKAB Cc1ccc2nc(N(CCCN(C)C)C(=O)CCSc3ccccc3)sc2c1 4359559 DAHHJWCFPMZMJG-UHFFFAOYSA-N 413.612 5.072 0 40 HKAB CCOC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCCC2 4622849 FAPGWXNQTSWQAK-UHFFFAOYSA-N 401.572 5.349 0 40 HKAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 4713919 KPIZKJSBWWEHFF-OXJNMPFZSA-N 423.538 5.090 0 40 HKAB COc1cc2c(cc1OC)[C@H]1CCCC[C@@H]1O[C@H]2c1ccc(Br)cc1 4783753 ONNBSYIGYVFIKL-YWMUFLPLSA-N 403.316 5.612 0 40 HKAB O=C(Nc1nc(-c2ccccc2)cs1)[C@@H](Sc1ccccc1)c1ccccc1 4825754 PQBOPSXUIJJWRM-NRFANRHFSA-N 402.544 6.282 0 40 HKAB CN(C)c1ccc(-c2nc3ccc(Cl)cn3c2NCc2ccc3c(c2)OCO3)cc1 4848476 TYQMHUJGSHSQTR-UHFFFAOYSA-N 420.900 5.062 0 40 HKAB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)N(c2ccccc2)C3=O)cc1 4870810 PGPJWQDSUHSNJA-HSZRJFAPSA-N 415.880 5.489 0 40 HKAB Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)c2C)cc1 5614391 TUAIKPXCYYGHIV-DEDYPNTBSA-N 403.913 5.910 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 6660962 JQMQKOQOLPGBBE-QZVCYSRKSA-N 402.663 6.648 0 40 HKAB biogenic Cc1ccccc1OCCn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21 6752584 FQKPONQYCXXBAL-UHFFFAOYSA-N 419.569 5.053 0 40 HKAB Cc1ncsc1CCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 6787021 ULHWNBDFVLAQDP-UHFFFAOYSA-N 403.588 5.471 0 40 HKAB Cc1ccc(-c2csc3ncnc(NC[C@@H](c4ccccc4Cl)N(C)C)c23)cc1 6881357 XZYFHPOTXZBJJK-FQEVSTJZSA-N 422.985 6.035 0 40 HKAB Cc1cc(C)cc(OCCSc2nnc(-c3ccccc3Br)o2)c1 7294005 KYFQWQCEMCXMHD-UHFFFAOYSA-N 405.317 5.287 0 40 HKAB CCOc1cc(CNC(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccc(F)cc1 7520798 NFOZLSBCRVWPSN-UHFFFAOYSA-N 421.984 6.761 0 40 HKAB Cc1ccc(C(=O)[C@H](Sc2nnc(C(F)(F)F)n2C)c2ccc(C)cc2)cc1 7987035 OHJJOSHKNNGRDN-QGZVFWFLSA-N 405.445 5.167 0 40 HKAB CC(C)c1ccc([C@H](C)NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 8133604 WKJGRVQVAWFJCF-KRWDZBQOSA-N 412.961 5.193 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(N3CCCCCC3)cc2)cc1NC(=O)c1ccco1 8189972 SHNTZGZZDHYBNJ-UHFFFAOYSA-N 417.509 5.473 0 40 HKAB COc1ccc(C(=O)Nc2nc(-c3cccs3)c(-c3ccccc3)s2)cc1OC 8396224 KOYPHZASLADWKZ-UHFFFAOYSA-N 422.531 5.808 0 40 HKAB COc1ccc(-n2c(-c3ccc(O)cc3)nc(-c3ccccc3)c2-c2ccccc2)cc1 8657341 LYBZRNXUSKCTPH-UHFFFAOYSA-N 418.496 6.588 0 40 HKAB CC(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4)ccc3o2)cc1 8903051 VDVLXPZTMQGXPR-UHFFFAOYSA-N 415.518 5.745 0 40 HKAB CC(=O)[C@@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccccc1 8943362 HXMIHZOODMGHDO-HXUWFJFHSA-N 405.548 5.477 0 40 HKAB CCOc1ccc(Oc2ccc(NC(=O)Cc3ccc(NC(C)=O)cc3)cc2)cc1 8983110 HHYVAUXSZNLIKO-UHFFFAOYSA-N 404.466 5.017 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CN1c1ccc(F)cc1 9191630 NDJIVMOJZJTTSK-QGZVFWFLSA-N 419.887 5.398 0 40 HKAB O=C(c1cc(-c2nc3ccccc3c(-c3ccccc3)c2Cl)c[nH]1)N1CCCC1 9376260 NEFCYROSCDTVGH-UHFFFAOYSA-N 401.897 5.786 0 40 HKAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(Cl)cc1Cl 9410295 TUAIOIGFWLCMLU-UHFFFAOYSA-N 414.248 5.458 0 40 HKAB Cc1cc(C)c2oc(C(=O)N(Cc3ccco3)Cc3ccccc3Cl)c(C)c2c1 9431931 IORUTUCEBDVPID-UHFFFAOYSA-N 407.897 6.447 0 40 HKAB CSc1ccc(CC(=O)N(Cc2ccncc2)c2nc3c(C)cccc3s2)cc1 10254382 WNFDURVYQQDZAN-UHFFFAOYSA-N 419.575 5.498 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 10314547 SDJPBAVKIKWAIX-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1nc(C)cs1 12586781 JEZHEESRJZODQM-UHFFFAOYSA-N 418.565 5.088 0 40 HKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ccccc1N1CCCCC1 12598004 GVYOBMUUQFBBDX-UHFFFAOYSA-N 406.357 5.054 0 40 HKAB COc1cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc(Cl)c1OCC(C)C 13072687 KTPFDPNLRIQBCD-UHFFFAOYSA-N 417.977 6.883 0 40 HKAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 14160056 BJXJWFCVTOYHJQ-DBXWQHBBSA-N 409.599 5.131 0 40 HKAB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)C(c1ccccc1)c1ccccc1 17092736 WJWPLIUICONQOV-UHFFFAOYSA-N 421.522 5.081 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1Cl 20142436 POYFJNITMBUAPM-UHFFFAOYSA-N 406.265 5.397 0 40 HKAB CCOc1ccc(CCC(=O)NCCSCc2ccc(Cl)cc2)cc1OCC 20491624 QPLZNRKAZNJSHH-UHFFFAOYSA-N 421.990 5.120 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)c1 21579029 CFFQUVRYGPLUHC-UHFFFAOYSA-N 400.478 6.053 0 40 HKAB CN(C)CCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 22075234 OXWNIZGQTPDVEU-UHFFFAOYSA-N 403.353 5.377 0 40 HKAB CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)c(Cl)c1 22523024 HXIAORYPBQQPEN-HMMYKYKNSA-N 405.881 5.696 0 40 HKAB Cc1noc(C)c1COc1ccc(CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)cc1 22994026 NAKQXKZRNYOLIV-KRWDZBQOSA-N 418.493 5.379 0 40 HKAB O=C(Nc1nnc(-c2ccncc2)s1)c1sc2cc(Cl)ccc2c1Cl 28225924 ASKAAWQITKKHQR-UHFFFAOYSA-N 407.307 5.374 0 40 HKAB CC(C)Oc1cccc(CNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 30864661 GWVZFLZUMMPJGX-UHFFFAOYSA-N 414.549 5.357 0 40 HKAB COc1ccc(-c2nc(CS[C@@H](C)C(=O)Nc3c(C)cccc3C)cs2)cc1 31413609 XAMRQZKVTWOQAJ-INIZCTEOSA-N 412.580 5.696 0 40 HKAB COc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1cccc(F)c1 33663109 BJIWPRYKURNFTR-UHFFFAOYSA-N 407.938 5.474 0 40 HKAB COc1cc(OC)c(NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)cc1Cl 39553731 CQSGGRLSUAIIOH-UHFFFAOYSA-N 417.918 5.108 0 40 HKAB CC[C@H](C(=O)Nc1ccc(OC)c(NC(=O)c2cccc(F)c2)c1)c1ccccc1 40111853 XFICYPKLUPGRLX-FQEVSTJZSA-N 406.457 5.219 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)NCc2ccc(CN3CCCCC3)cc2)cc(C)c1Cl 44874709 ZHVRRCKQOXECDC-IBGZPJMESA-N 414.977 5.026 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)Nc2c(Cl)cccc23)cc1Cl 49947063 FQNTYYYHMICBRZ-JOCHJYFZSA-N 424.287 5.179 0 40 HKAB COc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3ccc(F)cc3)c3ccccc32)cc1 59501075 NOQVIRQVCNCPMF-AREMUKBSSA-N 403.497 5.969 0 40 HKAB CCOc1ccc(-n2c(SCc3ccc(F)cc3F)nc3ccccc3c2=O)cc1 67259644 AJUVPNBFELWHBD-UHFFFAOYSA-N 424.472 5.355 0 40 HKAB Clc1cccc(-c2noc([C@@H]3CC34CCN(c3nc5ccccc5o3)CC4)n2)c1 69668763 JWTFNNAGCODEKH-INIZCTEOSA-N 406.873 5.305 0 40 HKAB O=C(c1csc(Br)c1)N1CCC2(CC1)CC(c1cccs1)=CO2 72341946 SHPPYSGTJVXSMS-UHFFFAOYSA-N 410.358 5.008 0 40 HKAB COc1cccc(-c2nc(-c3ccc(F)cc3)c(NC(=O)c3ccc(C)cc3)s2)c1 72427585 QWLRNZVGOFRFSW-UHFFFAOYSA-N 418.493 6.186 0 40 HKAB CC(C)c1nc(C2(NC(=O)N[C@@H](C)c3ccc(-c4ccncc4)cc3)CCCC2)no1 95963324 WDUKMJXGBWZINA-KRWDZBQOSA-N 419.529 5.085 0 40 HKAB Cc1nn2c(C(F)(F)F)c(C(=O)c3ccc(Cl)cc3)nnc2c1-c1ccccc1 96191631 NIJBQZHLXMDYRJ-UHFFFAOYSA-N 416.790 5.003 0 40 HKAB FC(F)(F)c1cccc([C@H](NCc2cc(Cl)ccc2Cl)c2nc[nH]n2)c1 97162203 VTDRUWMKWQUAAJ-HNNXBMFYSA-N 401.219 5.010 0 40 HKAB COc1ccc([C@@H]2C[C@@]23CCC[C@]2(C[C@@H]2c2ccc(OC)cc2OC)C3=O)c(OC)c1 100741633 NLWKUVKXSDFLCE-JPRHTOOBSA-N 422.521 5.122 0 40 HKAB biogenic C[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2/C(=C\C=C3C[C@@H](O)C[C@H](O)C3)CCC[C@@]21C)C(C)(C)O 101531820 BPKAHTKRCLCHEA-COVBIWGMSA-N 416.646 5.561 0 40 HKAB CC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)[C@H](C)c1cccs1 102720536 BXEUCOHZDIOKBI-XRODADMRSA-N 413.627 6.129 0 40 HKAB CCCN1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@@H]1c1cccs1 102863746 KXPFBRPOPPZJDL-BCHFMIIMSA-N 414.574 7.182 0 40 HKAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C)c1 138644273 OGPXNBNBMDQQSS-UHFFFAOYSA-N 410.473 5.314 0 40 HKAB CCc1nnc(S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)O)o1 213410722 CERZQONQCJEMPP-ZSOIEALJSA-N 411.266 5.417 0 40 HKAB COc1ccc(S[C@H](C)C(=O)N[C@@H](c2ccccc2)c2ccccc2C)cc1OC 216485951 LHUAXNFXJVMHJS-KOSHJBKYSA-N 421.562 5.399 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)N1CCS[C@@H](c2ccc3c(c2)OCO3)CC1 219245297 HWXUEILRJJOWAB-GOSISDBHSA-N 424.444 5.146 0 40 HKAB O=C(NCc1ccc2ccccc2c1)C1CCN(Cc2c(F)cccc2Cl)CC1 222800495 BSHOHAYCOMYQBW-UHFFFAOYSA-N 410.920 5.161 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccc(Cl)cc1 224157533 KDYBNFURVBMCAB-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2ccccc2C(C)C)c1 224230992 KNWOMDNHDVWQKG-UHFFFAOYSA-N 419.521 6.049 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1cccc(Cl)c1 224489885 CTMWJSOJKYKBPU-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1CSc1ccc(C)cc1 224661359 PINKGSHQJWAKDB-UHFFFAOYSA-N 405.563 6.555 0 40 HKAB CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224952727 ISEZTVPMFRQGJH-UHFFFAOYSA-N 417.914 5.356 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224960137 KAMQLIGNUXYJAK-UHFFFAOYSA-N 409.272 6.568 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225266990 YKJHVKVHKGXKLH-UHFFFAOYSA-N 415.802 6.154 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1cccc(C(F)(F)F)c1 225478208 OOIKXEYUVIRBJK-UHFFFAOYSA-N 408.272 5.562 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCCN4CCCCC4)cc3)CCCC2)c1 225510162 VQVKQEQLYQWRJL-UHFFFAOYSA-N 420.597 5.700 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C(=O)OC 225682946 RHSPSMDYBSEDNZ-INIZCTEOSA-N 413.489 5.240 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1snnc1-c1ccc(Cl)cc1 225770347 LJRSHXYTKBFURW-UHFFFAOYSA-N 407.882 5.903 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Br)cc2C)cc1OCC 408556195 IZJVRNMLXGQXBV-UHFFFAOYSA-N 406.320 5.587 0 40 HKAB Fc1ccc(CNC(=S)c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 408574292 LNPLDQHAPBWCKS-UHFFFAOYSA-N 420.336 6.177 0 40 HKAB COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 408806702 BLJIRLWLFIEKPJ-OPNIWQPMSA-N 407.559 5.749 0 40 HKAB CCOC(=O)C1=C(C)N=C(SCc2c(C)cc(C)cc2C)N[C@H]1c1ccccc1 408993971 XSINZQXHBLYDGU-QFIPXVFZSA-N 408.567 5.383 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSCc1c(F)cccc1Cl 409024364 KIEPFFYKXSWYDT-FNORWQNLSA-N 418.748 5.849 0 40 HKAB Cc1c(OCc2nnc(SCc3ccc(Cl)cc3)n2C)ccc2ccccc12 409352070 VYYYIKYAQGTXDD-UHFFFAOYSA-N 409.942 5.801 0 40 HKAB Cc1oc2ccc(OC(=O)c3ccccc3Br)cc2c1C(=O)OC(C)C 1463700 BCGWJZNPOUHNJW-UHFFFAOYSA-N 417.255 5.288 0 40 HKAB biogenic COc1ccc(CC(=O)c2c(O)c3c(c(CC=C(C)C)c2OC)OC(C)(C)C=C3)cc1 1583702 FMBXPGFWTBVRHT-UHFFFAOYSA-N 422.521 5.528 0 40 HKAB CCCCSc1nc2c(c(=O)n1CC1CCCC1)C1(CCCC1)Cc1ccccc1-2 1787156 VYQGBELCEXOGLW-UHFFFAOYSA-N 422.638 6.361 0 40 HKAB biogenic COc1ccc(/C=C2/N=C(c3ccccc3C)OC2=O)cc1OCc1ccccc1C 2081749 ALHLFMJERBHSMS-HYARGMPZSA-N 413.473 5.236 0 40 HKAB COc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)c(=O)c3ccccc3n2C)cc1 2208861 AHMJFDVAUDNBKA-UHFFFAOYSA-N 418.880 5.120 0 40 HKAB CCCCOc1ccc(-c2nc(SC)c3c4c(sc3n2)COC(C)(C)C4)cc1 2222789 XCIBOECMLSTDCY-UHFFFAOYSA-N 414.596 6.110 0 40 HKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2C)cc1Cl 2250984 MIYOACFJGQMUSJ-UHFFFAOYSA-N 419.864 5.887 0 40 HKAB C[C@H]1CN=C(N(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc2)S1 2279923 JFAQQNWFSRPCMQ-NSHDSACASA-N 413.852 5.889 0 40 HKAB CC(C)Oc1ccc([C@H](CCN2C(=O)c3ccccc3C2=O)Cc2ccccc2)cc1 2354350 MDSDLZUVKRBABI-JOCHJYFZSA-N 413.517 5.486 0 40 HKAB O=C(Nc1cccc(Nc2nc(Cl)nc(Cl)c2Cl)c1)c1ccc(F)cc1 2556002 CYWQJFQZFNUWNW-UHFFFAOYSA-N 411.651 5.572 0 40 HKAB O=C1N/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1Cc1ccc(Cl)cc1 2784888 HKGDWFGGXOUIFH-KGENOOAVSA-N 418.880 5.012 0 40 HKAB O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)c(Cl)c1)c1cccc(Cl)c1 3074549 DRFDVYHVNWVKNM-UHFFFAOYSA-N 419.695 6.151 0 40 HKAB O=C(Nc1nc2c(F)c(F)c(F)cc2s1)c1cccc(Oc2ccccc2)c1 3231482 PABDBDWQSVWTRM-UHFFFAOYSA-N 400.381 5.758 0 40 HKAB O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cccc(Cl)c3Cl)[C@@H]12 4145123 WQXWAFMYHQNXKI-XMSQKQJNSA-N 410.325 6.774 0 40 HKAB CC(C)OCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 4458461 DDHDYFBHPANCQY-CQRHOMQTSA-N 418.581 5.528 0 40 HKAB Cc1c(Cl)ccc2c(C(=O)N[C@@H](C)c3ccccc3)cc(-c3cccs3)nc12 4554459 TWFBRNAQJXEJAY-HNNXBMFYSA-N 406.938 6.416 0 40 HKAB Cc1ccc(OCCSc2nc3ccccc3n2CCOc2ccc(C)cc2)cc1 4725945 PJUNLHKUWJRKRM-UHFFFAOYSA-N 418.562 5.903 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(-c5ccccc5)cc4)c3)oc2c1 4866635 HRJJGCSJAOAGEA-UHFFFAOYSA-N 418.496 7.031 0 40 HKAB CC(=O)NC1(c2ccccc2)CCN(C(=O)Nc2ccccc2-c2ccccc2)CC1 4981576 FKJDTCJXQSFVNH-UHFFFAOYSA-N 413.521 5.013 0 40 HKAB Cc1cc(C)cc(NC(=O)N(Cc2cc3ccc(C)c(C)c3nc2Cl)C2CC2)c1 4986040 MXQKVBLVHSCEMN-UHFFFAOYSA-N 407.945 6.318 0 40 HKAB O[C@@H](Cn1c(-c2ccccc2)cc2ccccc21)Cn1c2ccccc2c2ccccc21 5338510 ZFPPRDRAEPPREO-QHCPKHFHSA-N 416.524 6.477 0 40 HKAB COc1cccc(-c2c(NCc3ccccc3)oc3c2c(=O)n(C)c2ccccc32)c1 6719842 XLBXRNKBSCSFET-UHFFFAOYSA-N 410.473 5.572 0 40 HKAB Cc1ccc(C)c(NCc2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)c1 6965552 JZFUXJPWPDCTQQ-UHFFFAOYSA-N 408.929 5.895 0 40 HKAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2[C@@H](C)c2ccccc2)CC1=O 7543679 RLLWFBGOYCIVRC-AZUAARDMSA-N 411.505 5.175 0 40 HKAB Cc1ccccc1NC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1 8470769 DCBPPAXAKMGVTK-UHFFFAOYSA-N 406.485 6.226 0 40 HKAB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(C)cc2)cc1 9289256 AGJSNWLNMBHLQH-DEOSSOPVSA-N 424.504 5.281 0 40 HKAB O=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc2c(c1)CCCC2 9403954 BRTOFXRXXNMSRR-UHFFFAOYSA-N 421.547 5.038 0 40 HKAB COc1ccc(-c2c(C)oc3c4c(ccc3c2=O)OCN(c2ccccc2F)C4)cc1 9423601 HSLAEAYLAKLQQR-UHFFFAOYSA-N 417.436 5.273 0 40 HKAB Cc1cc(-c2cc(C(=O)Nc3ccc(F)c(F)c3F)c3c(C)noc3n2)c(C)o1 11649879 XCERISWQHPITDX-UHFFFAOYSA-N 401.344 5.078 0 40 HKAB Cc1ccc(NC(=O)[C@H](NCc2nc3ccccc3n2C)c2ccccc2)cc1Cl 12602661 QIDJGTBRBNXODQ-HSZRJFAPSA-N 418.928 5.005 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](C)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 13409013 MHYKVQQPBSKDET-YEPJLRJBSA-N 418.706 6.830 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 13672197 IOORINIFNXRCHR-RCCKNPSSSA-N 419.908 6.004 0 40 HKAB COc1ccc(OC)c([C@@H]2CC(c3ccccc3)=NN2C(=S)Nc2ccccc2)c1 13686405 ITMCKEBPHKUZQR-QFIPXVFZSA-N 417.534 5.252 0 40 HKAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 13709949 LIBPFZSLNMCLBR-CQSZACIVSA-N 402.277 6.192 0 40 HKAB O=C(NC(=S)Nc1nc(-c2cccc3ccccc23)cs1)c1ccccc1Cl 13942864 LDIBRZGNKZAVQG-UHFFFAOYSA-N 423.950 5.744 0 40 HKAB CCn1c(SCc2cccc(Br)c2)nnc1-c1ccccc1Cl 14068168 MNTKSVBNWZDRHJ-UHFFFAOYSA-N 408.752 5.673 0 40 HKAB O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1cccc2c(Cl)cccc12 17088349 YZBRZMIDKKYKOR-UHFFFAOYSA-N 409.725 5.927 0 40 HKAB COC(=O)c1ccc(NC(=O)CC23C[C@@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc1 17916922 PMUPVGKIKOHKCZ-YDXVBCDDSA-N 417.549 5.648 0 40 HKAB C[C@H]1C=CC[C@H]2C(=O)N(c3ccc(Oc4ccc(Cl)cc4Cl)cc3)C(=O)[C@H]12 17986825 YKTVDFRFGDGFHY-JOKNJTHLSA-N 402.277 5.487 0 40 HKAB CCOc1ccc(CNC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1OCC 19933203 FSIUQRTUHNCIGG-HXUWFJFHSA-N 407.963 5.325 0 40 HKAB CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1C(C)C 20034376 QULJTRUIAKNKIB-UHFFFAOYSA-N 410.568 5.343 0 40 HKAB COc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1-c1ccc(CO)o1 20139521 PKWMXVDNAQTIKK-UHFFFAOYSA-N 413.882 5.568 0 40 HKAB FC(F)(F)c1c2c(nn1-c1nc(-c3ccc(Cl)cc3)cs1)-c1ccccc1C2 25185986 WOUVYGPBYQQLCX-UHFFFAOYSA-N 417.843 6.239 0 40 HKAB O=C(Oc1ccc2ccccc2c1-c1cc(=O)n2c(n1)CCCCC2)c1ccccc1 27526930 RKUGBCSVAYIPPK-UHFFFAOYSA-N 410.473 5.009 0 40 HKAB Cc1cc(OCC(=O)NC[C@H](c2cccs2)N2CCCCCC2)cc(C)c1Cl 27662519 HHYOPSDDNXRNIR-LJQANCHMSA-N 421.006 5.131 0 40 HKAB CC(C)c1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)N2CCCCC2)cc1 27663753 DQOAGCSARZNRLK-HSZRJFAPSA-N 414.977 5.186 0 40 HKAB Cc1ccc(-c2nc(CCNC(=O)COc3ccc(C(C)(C)C)cc3)cs2)cc1 27990277 ZGBIQRHRAGZWTP-UHFFFAOYSA-N 408.567 5.154 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2oc3cc(C)ccc3c2C)N2CCCCCC2)cc1 28287590 XIRJHQQMUKCETD-QHCPKHFHSA-N 404.554 5.705 0 40 HKAB C[C@H](NC(=O)c1ccccc1SCc1cn2ccccc2n1)c1ccc(F)c(F)c1 28433423 NUHKFNZDURVLBI-HNNXBMFYSA-N 423.488 5.396 0 40 HKAB Cc1nc(NC(=O)c2ccccc2Cl)sc1-c1nc(-c2cccs2)no1 31812407 BTZLJFDRRSICDA-UHFFFAOYSA-N 402.888 5.136 0 40 HKAB CC(=O)Nc1ccc2nc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)oc2c1 32126850 GSRLDWIZVMPLSY-UHFFFAOYSA-N 420.277 5.560 0 40 HKAB COc1ccc([C@@H]2CCCN2Cc2csc(-c3ccc(OC)cc3OC)n2)cc1 32751421 PUELBQWMRXYWCZ-NRFANRHFSA-N 410.539 5.173 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1cc(Cl)ccc1F 32753621 RRMOHEMRHYXYDU-UHFFFAOYSA-N 419.287 5.370 0 40 HKAB CCO/C=C1\SC(=O)N=C1N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 36633804 SXNNLRQIFUGNPP-ZJYZBMPFSA-N 411.914 5.634 0 40 HKAB Cc1ccc(-c2nc(COC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)cs2)o1 46210031 UHPAEYSKVSHLJP-UHFFFAOYSA-N 418.689 5.006 0 40 HKAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)c2csc(-c3ncccn3)n2)cc1 65589222 BDCKIHPSKZJNAG-UHFFFAOYSA-N 422.897 5.607 0 40 HKAB CC(C)[C@@H]1CN(C(=O)c2cccc(F)c2)c2ccccc2N1C(=O)c1cccc(F)c1 72307942 NKLJXQXJDVSCEY-QHCPKHFHSA-N 420.459 5.297 0 40 HKAB OC1=C2Nc3ccccc3N=C2O[C@@H]1c1c[nH]c2ccc(COc3ccccc3)cc12 104240454 ZXHOCCGMGRZRJK-XMMPIXPASA-N 409.445 5.744 0 40 HKAB CCOc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 107042817 HSYPLGLTRLNYCQ-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(CN2CCCc3ccccc32)cc1 216493380 AIWPMUIQLIVISW-UHFFFAOYSA-N 411.332 6.199 0 40 HKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)S1 222564381 PIXKHMYUWUHNPK-NQERJWCQSA-N 423.626 5.972 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1Cl 222841640 WWHQIECQQCMGEW-QGZVFWFLSA-N 411.954 6.347 0 40 HKAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1CSc1ccc(C)cc1 224333957 MXHBPCWWJZRNMN-UHFFFAOYSA-N 411.954 5.879 0 40 HKAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1CSc1ccc(Cl)cc1 224345404 GBCRGAHWTMSXQB-UHFFFAOYSA-N 411.954 5.879 0 40 HKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 224406478 BBTQEHQSYMMILO-XZOQPEGZSA-N 420.557 5.705 0 40 HKAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(CSc2ccccc2)cc1 224670482 QMPPVUGILZMSKA-UHFFFAOYSA-N 401.453 5.928 0 40 HKAB COc1ccc(-c2cnc(CCC(=O)Nc3cccc(Cl)c3Cl)o2)c(OC)c1 224867840 WEHASQZETRKELK-UHFFFAOYSA-N 421.280 5.237 0 40 HKAB O=C(COc1cccc2c1CCCC2)Nc1ccc(CSc2ccccc2)cc1 224984103 VAJKJZHKNVMMEX-UHFFFAOYSA-N 403.547 5.875 0 40 HKAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C 225332125 CNQREAICVNXZMS-IBGZPJMESA-N 416.521 5.066 0 40 HKAB COc1ccc(/C=C2\C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cc1 245391881 MDGYGSZQYJUTBN-RXOISRMYSA-N 408.582 5.373 0 40 HKAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 408626523 HVESJHCDGDUSCX-KRWDZBQOSA-N 403.551 5.345 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(Cl)ccc3C)n2)cc1 408694752 MGQNRLOPJFHBNE-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB COc1ccccc1NC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccc(C)cc2C)n1 408697578 IDDRCIOGJDYZTC-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccc(F)cc2)cc1 408697999 KVLKJSBGHSZENO-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)/C=C/c1ccccc1Cl 408714401 PYSFCQWUYQTMHM-SDNWHVSQSA-N 409.917 5.359 0 40 HKAB Cc1ccc(CSCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 408921962 MOQDGYUXWIQCBD-HAVVHWLPSA-N 421.993 6.239 0 40 HKAB CCCOc1c(Cl)cc(Cl)cc1CNc1ccc(Oc2ccccc2)cc1 409121382 ZHXPWPHOACQDHT-UHFFFAOYSA-N 402.321 7.187 0 40 HKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3Cl)n2C)cc1 409196226 OCMSFGGWOCHOMS-LCUIJRPUSA-N 418.949 6.124 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)cc1 642922 IJMPZNAJNJHSEZ-UHFFFAOYSA-N 415.518 5.130 0 40 HKAB COc1ccc(O[C@@H]2C(=O)N(c3ccc(C)c(C)c3)[C@@H]2c2ccccc2Cl)cc1 729147 XLOBFWGIQZGZSS-PKTZIBPZSA-N 407.897 5.501 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 924416 MLIJOJXBSFWWIP-UHFFFAOYSA-N 405.548 5.706 0 40 HKAB COc1ccccc1OCc1nnc(SCc2ccccc2)n1-c1ccccc1 924708 MELXOVZZTLGTPF-UHFFFAOYSA-N 403.507 5.147 0 40 HKAB COc1cccc(NC(=O)c2cc(-c3cccc(OC)c3)nc3c(C)cc(C)cc23)c1 993126 GLGBEPDKJOKMDR-UHFFFAOYSA-N 412.489 5.788 0 40 HKAB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1c1ccccc1 1094727 LFOUUAMYIOWYLU-HSZRJFAPSA-N 414.896 5.605 0 40 HKAB Nc1c(C(=O)N(c2ccccc2)c2ccccc2)sc2nc3c(cc12)C(=O)CCC3 1102108 UNUXLLVOMTYQLT-UHFFFAOYSA-N 413.502 5.376 0 40 HKAB Cc1ccc(-n2cc(C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)nn2)cc1Cl 1392897 HBABBROXVJCPRB-LLVKDONJSA-N 410.688 5.186 0 40 HKAB CCCCOc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 2298836 DKTQOVKAGWAMIU-UHFFFAOYSA-N 409.511 5.530 0 40 HKAB CCOc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4cccc(C)c4)cc2-3)cc1 2687745 FAVLFDJKAXJQIP-UHFFFAOYSA-N 423.516 5.967 0 40 HKAB O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Cl)cc1 2775335 NLWCENGMTMIHNW-UHFFFAOYSA-N 416.864 5.232 0 40 HKAB C[C@@H]1CN(C(=O)Nc2ccc(Cl)cc2)[C@H](C)CN1C(=O)Nc1ccc(Cl)cc1 3135160 UZSMXJPFPIHMDY-ZIAGYGMSSA-N 421.328 5.152 0 40 HKAB O=C(NCCOc1ccccc1Cc1ccccc1)Nc1cc(F)c(F)cc1Cl 3162186 YZQUVEFLFQGVSU-UHFFFAOYSA-N 416.855 5.410 0 40 HKAB CCc1ccc(C(=O)CSc2nnc(-c3ccc(Br)cc3)o2)cc1 3231502 UQHRJXCZCYGGJP-UHFFFAOYSA-N 403.301 5.037 0 40 HKAB O=C(Cc1coc2cc3c(cc12)CCC3)OCC(=O)c1ccc2c(c1)-c1ccccc1C2 3302398 HOTBMFQOAWLSBP-UHFFFAOYSA-N 422.480 5.461 0 40 HKAB Cc1cc2nnc(SCc3nnc(-c4ccc(Cl)cc4)o3)n2c2ccccc12 3337834 RXCQBPQMMSXPCX-UHFFFAOYSA-N 407.886 5.187 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 4155934 DGPBQSZCCVYNRA-UHFFFAOYSA-N 410.473 5.639 0 40 HKAB COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 4514925 JOOAOCVQKRHJGX-HXUWFJFHSA-N 405.498 5.020 0 40 HKAB O=[P@]1(c2ccccc2)C=C(c2ccccc2)N(c2ccccc2)N=C1c1ccccc1 4888904 HZXVLYYKRNWPCT-HKBQPEDESA-N 420.452 6.556 0 40 HKAB CCOc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(-c4ccc(F)cc4)c3c2c1 4970238 PUJYLBQBLURWID-UHFFFAOYSA-N 411.480 6.395 0 40 HKAB O=C(Nc1ccc(Cl)cc1)N(Cc1nnc2n1CCCCC2)c1ccccc1F 5223460 WGAPHRJICSCJOP-UHFFFAOYSA-N 413.884 5.036 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c2ccccc12 5543027 VOHYXSDKTKEZDI-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2N=C(C(F)(F)F)C[C@@]2(O)c2ccc(Cl)cc2)cc1 6075351 KHNSFHCKKKQVOK-HXUWFJFHSA-N 424.850 5.247 0 40 HKAB Cc1ccc(OCc2nnc(SCc3ccc(Cl)cc3)n2-c2ccccc2)cc1 6245570 KFPPXVWNXDYQRO-UHFFFAOYSA-N 421.953 6.100 0 40 HKAB Cc1ccc(N(C)C(=O)c2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1C 6438926 OHBFKRGDAGFKKF-UHFFFAOYSA-N 421.504 5.513 0 40 HKAB O=C(CSc1nc2ccccc2s1)Nc1ccc(OCc2ccccc2)cc1 6475208 LYSWKXILXGVQRT-UHFFFAOYSA-N 406.532 5.606 0 40 HKAB CCc1cccc(CC)c1N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)N(C)C1=S 6543881 CIZDVFGEHBVCBB-PGMHBOJBSA-N 406.595 5.713 0 40 HKAB CCOc1ccc2nc(SCC(=O)Nc3ccc(SC(F)F)cc3)[nH]c2c1 6567015 DXPCNGMSUFTJTD-UHFFFAOYSA-N 409.483 5.007 0 40 HKAB CCN(C(=O)C1CCC(C)CC1)c1nc(-c2ccc(Br)cc2)cs1 6826466 KETJIMPKMMDTLB-UHFFFAOYSA-N 407.377 5.752 0 40 HKAB COc1cc(C(=S)N2CCCCC2)ccc1OCc1ccc(Br)cc1 7782023 ZVHFMTIFNMYRHG-UHFFFAOYSA-N 420.372 5.198 0 40 HKAB Cc1c(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)oc2ccccc12 7975036 WIENDVXDTZNGPM-UHFFFAOYSA-N 407.857 5.249 0 40 HKAB CC[C@@H]1CCCCN1C(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 8136368 WOKLUJPRBCHKLC-CQSZACIVSA-N 417.625 5.750 0 40 HKAB CCCCC1(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H]1C 8721043 JIMPELPXBXADEI-TYRYXLHPSA-N 406.397 6.573 0 40 HKAB O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 8768865 RTPYAYZJNPZZRF-UHFFFAOYSA-N 424.953 5.714 0 40 HKAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N[C@@H](C)c1ccc(F)cc1 9647137 OPZWCDIIHZKXNX-RYUDHWBXSA-N 423.435 5.146 0 40 HKAB O=C(Cn1cc(SCc2cccc3ccccc23)c2ccccc21)N1CCCC1 10458052 AEIJFERDUQWBCJ-UHFFFAOYSA-N 400.547 5.709 0 40 HKAB O=C(O)c1cc(-c2ccc(-c3ccccc3F)o2)nc2ccc(Br)cc12 12042428 BQGBJPMPKRADMV-UHFFFAOYSA-N 412.214 5.762 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(Sc2nccn2C)cc1 12629036 CZURFDOVTVSPDD-UHFFFAOYSA-N 424.913 5.440 0 40 HKAB CN(Cc1ccccc1Cl)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 12783357 UXMOPJLHANZQEE-UHFFFAOYSA-N 403.869 5.329 0 40 HKAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 12885004 SRVVUFUETIXZMZ-UHFFFAOYSA-N 403.869 5.329 0 40 HKAB C[C@@H](NC(=O)CN1CCC[C@@H](c2nc3ccccc3s2)C1)c1ccc(Cl)cc1 13063588 FKCDPOLRFRSRCW-NVXWUHKLSA-N 413.974 5.007 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1 14155201 BPUYTZDWDHZLLO-UHFFFAOYSA-N 401.453 6.558 0 40 HKAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(C3CC3)n2C2CC2)c1 14185119 UUGUWGJRVITZBI-UHFFFAOYSA-N 418.566 5.124 0 40 HKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1ccccc1Cl 15438735 PQZSVIBIUIPWQC-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB O=C(O)c1ccc(CNCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 16401628 WXIRQTRVUFDEEQ-UHFFFAOYSA-N 416.304 5.560 0 40 HKAB Clc1ccc(COc2ccc(Cl)cc2CNCc2cccs2)c(Cl)c1 16430637 GKUGOQOOBRKIKF-UHFFFAOYSA-N 412.769 6.577 0 40 HKAB O=C(COc1cccc2ccccc12)Nc1ccc(NC(=O)Cc2ccccc2)cc1 17088503 WFLRBZCFGDFSPT-UHFFFAOYSA-N 410.473 5.039 0 40 HKAB Cc1cccc(Nc2nc(NCCCOC(C)C)nc3c2cnn3-c2ccccc2)c1 17135436 PYHQAZVLTNZMLR-UHFFFAOYSA-N 416.529 5.095 0 40 HKAB CCc1cc2c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)ncnc2s1 19202713 RFJUDYLGMPXVJH-UHFFFAOYSA-N 414.578 5.165 0 40 HKAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(CCc1ccc(Cl)cc1)CO3 20412288 BKPHPUZHEHCIDD-UHFFFAOYSA-N 417.892 5.508 0 40 HKAB biogenic Cc1nccn1-c1ccc(CNC(=O)c2ccc(CSc3ccccc3)cc2)cc1 20458343 FPZVJAOSARKEAZ-UHFFFAOYSA-N 413.546 5.403 0 40 HKAB O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1ccc2c(c1)OCO2 20895223 ACJXVIXMLHWTFZ-UHFFFAOYSA-N 420.515 5.570 0 40 HKAB CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NC2CCCCC2)[C@@H]1c1cccs1 20904256 YXVWRDWPQXHAHQ-VXKWHMMOSA-N 410.583 5.134 0 40 HKAB COc1cc(CNCCc2ccccc2F)ccc1OCc1ccc(F)cc1Cl 22074737 QOZRTEKJMMVOFW-UHFFFAOYSA-N 417.883 5.538 0 40 HKAB CCN(CC)CCNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 22075123 XMDZGULREKUXKB-UHFFFAOYSA-N 411.373 5.012 0 40 HKAB Cc1ccc(CN(CCc2ccccc2)C(=O)Cc2csc(-c3ccco3)n2)s1 22966502 CARWMXRORBYUJC-UHFFFAOYSA-N 422.575 5.587 0 40 HKAB CCCCc1ccc(-n2c(-c3ccc(C)cc3)nn(CN3CCOCC3)c2=S)cc1 25338259 XDERBUKAZCQDTM-UHFFFAOYSA-N 422.598 5.011 0 40 HKAB Cc1ccc([C@@]2(C(F)(F)F)N=C(O)N3C(c4ccc(Cl)cc4)=CSC3=N2)cc1 28294012 RQMYTDWBGVWFNZ-GOSISDBHSA-N 423.847 5.695 0 40 HKAB O=C(Nc1ccc(Br)cc1F)c1cc(-c2ccccn2)nc2ccccc12 32074866 GPBNAMBQSZYEOU-UHFFFAOYSA-N 422.257 5.451 0 40 HKAB Cc1cc(C(=O)CN(C)Cc2ccc(Cl)s2)c(C)n1CCc1cccs1 32797174 QHUIMOFKLQDDOX-UHFFFAOYSA-N 407.004 5.439 0 40 HKAB COc1ccc(-c2cc(OCC(=O)Nc3cccc(Cl)c3)c3ccccc3n2)cc1 32985620 GGIKALGRRRUWJX-UHFFFAOYSA-N 418.880 5.581 0 40 HKAB CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2ccccc2C(C)C)CC1 33088308 STFSMYCJFLXLPA-UHFFFAOYSA-N 418.541 5.007 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccccc3I)o2)cc1C 34687667 HQZLDKVUAHKZBT-UHFFFAOYSA-N 417.246 5.420 0 40 HKAB COc1ccccc1-c1nc2c(-c3ccccc3)cnn2c2c1C[C@@H](C(C)(C)C)CC2 35323952 URRDEAVCLAFHQD-IBGZPJMESA-N 411.549 6.223 0 40 HKAB Cc1noc(-c2ccc(Cl)cc2)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 35681739 DAGNWCBQXDJGTL-UHFFFAOYSA-N 415.198 6.228 0 40 HKAB Cc1cccc(C)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078957 MJQJAPFLYAWNTH-UHFFFAOYSA-N 402.469 5.288 0 40 HKAB C[C@H](NC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 48310066 RMENKGVBZQTNFU-UWVGGRQHSA-N 406.140 6.422 0 40 HKAB O=C(c1cc2c(s1)CCCC2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 57416753 PBDTUYACGLJRKZ-UHFFFAOYSA-N 416.590 5.174 0 40 HKAB CCOc1ccccc1CNc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 57541756 NGICEPWKPFUJQS-UHFFFAOYSA-N 401.554 5.020 0 40 HKAB CC(C)(C)c1ccc(C(=O)NC2(c3nc(-c4cccnc4)no3)CCCCC2)cc1 65257879 IBIPYRVJPPWDSH-UHFFFAOYSA-N 404.514 5.019 0 40 HKAB C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@@H]1C=CC21OCCO1 77272704 BSIINGMJTPRWBF-XPGKHFPBSA-N 402.534 5.641 0 40 HKAB in-vitro CC1(C)CC2=Nc3ccccc3N[C@H](c3cccc(Oc4ccccc4)c3)C2=C(O)C1 102641472 HQMAWGAXXDWRIR-AREMUKBSSA-N 410.517 7.350 0 40 HKAB O=c1c(C2=NCCCCC2)c2[nH]c(-c3ccc(Cl)cc3)cn2n1-c1ccccc1 103202657 BUACPXHDGVAEQH-UHFFFAOYSA-N 404.901 5.102 0 40 HKAB CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1C 107796981 ZMPFTVZAAKVHOI-OAHLLOKOSA-N 414.962 5.043 0 40 HKAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 110554718 WWXUKUSAZPUNND-LLGFUMIMSA-N 401.591 5.379 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CC(=O)C(F)(F)F 118925351 YSCAUZWVQYQONN-LUTUCUKNSA-N 412.492 5.017 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CC(=O)C(F)(F)F 118934330 LCURZEXXFASPQQ-OCRKWRAVSA-N 414.508 5.097 0 40 HKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O 205662327 YUJWQVOWGIQFAV-PBONPNGBSA-N 413.882 5.252 0 40 HKAB Cc1nc(Oc2ccccc2)nc(C)c1NC(=O)Nc1cccc(C(F)(F)F)c1 206721331 MIMHXUNNVZBPIL-UHFFFAOYSA-N 402.376 5.549 0 40 HKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(OCc2ccccc2)cc1 222737777 SKENXKFKWFQYSG-IBGZPJMESA-N 401.506 5.550 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 222928801 JNWYCJZFKGCNAP-OAQYLSRUSA-N 413.558 5.254 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 223031768 PVFYGGCDNVHJGF-VQTJNVASSA-N 401.934 5.533 0 40 HKAB CC[C@@H](NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1)c1ccc2c(c1)CCCC2 223090861 YRIHJJINHCOHCJ-FQRUVTKNSA-N 404.598 5.678 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)/C(=C/c2ccco2)c2ccccc2)cc1C(C)C 223270567 AWDBDSZVVXUFLI-WWJLXRQJSA-N 403.522 6.138 0 40 HKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(CC)c2C)cc1 224332527 GLJWLRYFFYSHIB-XZOQPEGZSA-N 404.583 5.259 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccc(Cl)cc1 224500595 LCSKOHVTDBXQIN-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB CCOc1ccc(C(=O)N2CCCCCC2)cc1COc1ccc(C(C)(C)C)cc1 224524889 WGACUDHWQUTFOG-UHFFFAOYSA-N 409.570 5.978 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3CC)o2)cc1 224917354 BQROZRPBBUIXLC-UHFFFAOYSA-N 412.489 6.222 0 40 HKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 225044906 RDEADWXCHGCZCC-YADHBBJMSA-N 422.613 5.383 0 40 HKAB O[C@@H]1[C@H](NCc2ccccc2)CCC[C@H]1Oc1ccccc1Oc1cccc(Cl)c1 257288289 PTPSVFCJFIRPBM-NQHRYMMQSA-N 423.940 5.583 0 40 HKAB CCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(CC)c1-c1ccc(C)c(C)c1 408564438 YFJVYEJXVGEWQU-RFBIWTDZSA-N 422.638 6.059 0 40 HKAB Cc1ccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1C 408586741 PCFIWJAQAHMNHZ-UHFFFAOYSA-N 410.311 5.897 0 40 HKAB O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccc(Cl)c(Cl)c1 408594590 IRXNHWYAICVANE-UHFFFAOYSA-N 408.335 5.244 0 40 HKAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 408642560 OZCRFNPHBGFXHA-OAHLLOKOSA-N 405.325 5.110 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(Cl)c2)cc1 408676277 MWBDLHZFNNTWFB-UHFFFAOYSA-N 404.853 5.090 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2cccc(Cl)c2)cc1 408695516 RCCQJODUTGVYKE-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB O=C(Nc1ccc(F)cc1)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408981060 YPHRLNJYEHEWPY-UHFFFAOYSA-N 421.435 5.145 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1cccc(C(F)(F)F)c1)N2 408992654 ASZBRNSLKIJENY-HJNYFJLDSA-N 409.407 5.875 0 40 HKAB COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccccc3)s2)cc1 409054150 RYLYKFCAEZUOKX-UHFFFAOYSA-N 404.466 5.877 0 40 HKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 409083496 BBLBWKASOTZTJO-UHFFFAOYSA-N 405.954 6.112 0 40 HKAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCCc2ccccc2)cc1 409099812 UGQREKYGLAHCEA-UHFFFAOYSA-N 415.562 5.592 0 40 HKAB O=C(C1c2ccccc2Oc2ccccc21)N1CCC[C@H](Oc2ccncc2Cl)C1 575614122 WYISWVVTKWUCKH-INIZCTEOSA-N 420.896 5.043 0 40 HKAB Cc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3cc(Br)ccc3n2)cc1 685780 NWUSXKOWUMZJAA-UHFFFAOYSA-N 423.354 5.845 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1cccc2ccccc12 837082 FUEMMHBCHUEWAO-HDLCADABSA-N 401.465 5.236 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCC3)cc2c1 1224157 VVMPSSFPAJWZFC-GOSISDBHSA-N 419.594 5.217 0 40 HKAB C[C@H]1CCc2c(sc3nc(C4CC4)n4c(SCc5cccnc5)nnc4c23)C1 1339683 ZXVMESJFYCKVDI-LBPRGKRZSA-N 407.568 5.029 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 1359795 AMMBBIBHEXBBFI-SFHVURJKSA-N 407.489 5.193 0 40 HKAB C[C@H](NS(=O)(=O)c1cccc2cccc(Cl)c12)c1ccc(Br)cc1 1437239 VVWUBLBLFHIPPI-LBPRGKRZSA-N 424.747 5.295 0 40 HKAB C[C@@H]1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)C[C@@H](C)O1 1447593 APJYHERCIDOZRE-IAGOWNOFSA-N 418.928 5.355 0 40 HKAB CC(C)(C)c1ccc(OCCCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 1773562 FFDJOBHMGQXGJD-UHFFFAOYSA-N 413.867 6.454 0 40 HKAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2c(C)noc2C)cc1 2652749 GMJFYONGVBGJKF-UHFFFAOYSA-N 420.538 5.154 0 40 HKAB O=C(CSc1c(-c2ccccc2)[nH]c2ccccc12)Nc1ccc2c(c1)OCO2 2718354 JDTMEJBKRDIPIJ-UHFFFAOYSA-N 402.475 5.294 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1c(F)cccc1F 2767380 IXUQSOCDVFLXMZ-UHFFFAOYSA-N 415.461 5.739 0 40 HKAB CCCOP(=O)(OCCC)c1nc(-c2ccccc2)oc1NCc1ccccc1 3158658 DNFBNGGPAMFYIV-UHFFFAOYSA-N 414.442 5.625 0 40 HKAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)OCc2ccccc2)cc1 3243358 YWXASVSXOLKFMJ-SAPNQHFASA-N 410.473 5.305 0 40 HKAB O=C1c2ccccc2[C@@H]2c3[nH]c4ccccc4c3[C@H](c3c(F)cccc3Cl)CN12 4085148 QEWBYTGHNMAEMD-WAIKUNEKSA-N 402.856 5.651 0 40 HKAB biogenic C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12 4184223 PWESAGWCPCQBCM-IYBDPMFKSA-N 409.530 5.318 0 40 HKAB CC[C@H]1[C@@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1 4561737 RJDWQLQWIGSBFC-FMNCTDSISA-N 400.522 5.924 0 40 HKAB COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(Cl)c2)c1 4715809 VTRIQAINEKLPKE-ZJSXRUAMSA-N 420.896 5.600 0 40 HKAB COc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3ccc(F)cc3)C[C@H]21 4715854 VFMASGKEFJSPMY-OFNKIYASSA-N 410.395 5.355 0 40 HKAB CCc1cc2c(C)cc(C)cc2nc1SCC(=O)Nc1cccc(NC(C)=O)c1 4849465 ONYWPWRFCRXSTC-UHFFFAOYSA-N 407.539 5.103 0 40 HKAB CCOC(=O)c1ccc2c(c1)nc(-c1ccc(Oc3ccccc3)cc1)c1nccn12 4864560 BQFSZKZKJGTYRC-UHFFFAOYSA-N 409.445 5.519 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 4906794 JJGSABGJWOEQPJ-UHFFFAOYSA-N 415.320 6.496 0 40 HKAB S=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)Nc1ccc(Br)cc1 4925186 QRKZDGDRINNPJZ-UHFFFAOYSA-N 414.372 5.296 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1cc2ccccc2[nH]1)c1ccccc1 5492286 HKRHYSLVRKKGFD-QHCPKHFHSA-N 414.461 5.103 0 40 HKAB COc1ccc2[nH]cc(/C=C/c3nc4ccccc4c(=O)n3-c3ccccc3C)c2c1 5501402 NDOSWDOKKWFVNB-SDNWHVSQSA-N 407.473 5.354 0 40 HKAB FC(F)(F)c1cccc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1 5657468 CSZQSGAQPZBDJQ-UHFFFAOYSA-N 411.452 6.245 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1 6355162 DTABTCXCEQRTQT-UHFFFAOYSA-N 408.457 6.299 0 40 HKAB O=C(CSc1ccc2c(c1)OCCCO2)Nc1ccccc1Oc1ccccc1 6436907 GNXGWWKGZFTDIW-UHFFFAOYSA-N 407.491 5.371 0 40 HKAB Cc1ccc(OCc2ccc(C(=O)Nc3ncc(-c4ccc(C)cc4)s3)cc2)cc1 6480151 QTWSKCRKDGJMLK-UHFFFAOYSA-N 414.530 6.258 0 40 HKAB O=C(COc1ccc2ccccc2c1)Nc1nc2c(Cl)c(Cl)ccc2s1 6496723 KMFOZTCPQALCOX-UHFFFAOYSA-N 403.290 5.774 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)CC(C)C)cc3)nc2c1 6713337 AYUAIUCGFUPOJK-HNNXBMFYSA-N 409.555 5.867 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc3oc4ccccc4c3c2)cc1OCC 8072844 YXVQHIWPNINTRG-UHFFFAOYSA-N 403.478 6.416 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 8394698 MFUMDWRGGNRQJU-UHFFFAOYSA-N 420.465 5.164 0 40 HKAB Cc1ccc(CN2CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)cc1 9063089 IUMFUOAYXRFDET-UHFFFAOYSA-N 412.577 5.436 0 40 HKAB CCN(C(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1)C1=CCCC1 9223129 MBHAROHSMRBYFM-UHFFFAOYSA-N 424.595 5.063 0 40 HKAB CCCCC[C@@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 9355606 IEWCDHIFBFMGQW-CJAUYULYSA-N 417.553 5.188 0 40 HKAB c1ccc2c(c1)ccc1sc(CCCCc3nc4ccc5ccccc5c4s3)nc12 9434146 DMKNAYXXAUOOGK-UHFFFAOYSA-N 424.594 7.778 0 40 HKAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1csc(-c2cccs2)n1 9479260 ODHGJWWXYIADQV-UHFFFAOYSA-N 400.916 5.022 0 40 HKAB CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1ccc(C)cc1C 9645883 AMTRTWGKKDCFCM-UHFFFAOYSA-N 415.536 5.009 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1 10128828 IZHNPPXGUQNGKT-UHFFFAOYSA-N 419.864 5.439 0 40 HKAB CCc1ccccc1NC(=O)c1nnn(-c2ccc3noc(-c4ccccc4)c3c2)c1C 11689947 RDMWXXLJAXYKBZ-UHFFFAOYSA-N 423.476 5.199 0 40 HKAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 12569618 RGDAHFZPVYIROC-LJQANCHMSA-N 418.449 5.142 0 40 HKAB CC(=O)c1ccc(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)cc1 12831129 OZELIAZTGGJFGV-UHFFFAOYSA-N 405.479 5.331 0 40 HKAB Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)C2CCCCC2)c(C)c1 13711951 QMGWRZDZOWIWAW-UHFFFAOYSA-N 402.538 5.567 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccc(F)cc3F)c3ccccc3n2)cc1OC 13957482 ZMJOCBCMPURSLE-UHFFFAOYSA-N 420.415 5.450 0 40 HKAB CC(C)c1cc(C(=O)Nc2ccnn2Cc2ccccc2Cl)c2ccccc2n1 14635644 KYHNYMVRIDGCRS-UHFFFAOYSA-N 404.901 5.509 0 40 HKAB Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2c1[C@@H](c1ccsc1)CC(=O)N2 15106689 RLNTUDIVVQTGRB-CQSZACIVSA-N 402.928 5.498 0 40 HKAB FC(F)(F)c1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 16044165 KHSZEIIPBSVIPD-YLJYHZDGSA-N 400.425 6.009 0 40 HKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2c1 20411408 WOYXSIUGEOFIFK-UHFFFAOYSA-N 423.321 5.812 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)c(OC)c1 22365218 IYSLJRJZUBNTHL-UHFFFAOYSA-N 408.401 5.098 0 40 HKAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 22520540 BJMIIVYMZZOMEF-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(c1ccccc1Cl)c1cc(Br)ccc1NC(=O)C1CCCCC1 27521271 DXKVZMLDIAEINQ-UHFFFAOYSA-N 420.734 5.852 0 40 HKAB CCCCOc1ccc(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)c2cccnc12 32622569 PHYLQWPISQLYPW-UHFFFAOYSA-N 422.868 5.426 0 40 HKAB COc1ccc(-c2cc(OCC(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)cc1 32985608 ORBBKJIHOSJOJZ-UHFFFAOYSA-N 418.880 5.581 0 40 HKAB O=C(CC1(c2ccccc2)C(=O)c2ccccc2C1=O)Nc1ccc(Cl)c(Cl)c1 34132810 AZCCLXYDQLQSEO-UHFFFAOYSA-N 424.283 5.339 0 40 HKAB Cc1ccccc1NC(=O)Cn1c(-c2ccc(Br)cc2)nc2ccccc21 40307540 WLDQVNXGDUFYHE-UHFFFAOYSA-N 420.310 5.413 0 40 HKAB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CN3CCCCCC3)cc1)CC(C)(C)O2 44855274 APMJMOHLONLIAD-QHCPKHFHSA-N 406.570 5.403 0 40 HKAB CC[C@H](Oc1ccccc1C)C(=O)NCCSCc1c(Cl)cccc1Cl 44884596 JOIRPYLBWKVAOQ-SFHVURJKSA-N 412.382 5.509 0 40 HKAB COc1cc([C@@H]2CC(O)=Nc3c(-c4ccc(Cl)cc4)nsc32)cc(OC)c1O 44900558 MGXUYUFPEANYMI-ZDUSSCGKSA-N 416.886 5.310 0 40 HKAB Cc1ccccc1NC(=O)[C@H](C)Sc1ncc(-c2cccc(Br)c2)o1 45943403 KNMMUTVJTDDGFM-ZDUSSCGKSA-N 417.328 5.532 0 40 HKAB FC(F)(F)c1cc(OCc2nnc(-c3ccccc3Cl)o2)cc(C(F)(F)F)c1 57649291 YHWQNFCIHBJUGW-UHFFFAOYSA-N 422.712 6.007 0 40 HKAB CC[C@H](C)Sc1ccc(NC(=O)COc2ccccc2OC)c(C(F)(F)F)c1 58173011 TVTKHCJMTHLUMN-ZDUSSCGKSA-N 413.461 5.622 0 40 HKAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1cccc(OCc2cccc3ccccc23)c1 59195277 GKEYOCKIUGJEHB-MFKUBSTISA-N 423.443 5.902 0 40 HKAB Fc1ccc(CN2CCC3(CC2)C[C@@H]3c2nnc(-c3ccccc3)o2)c2ncccc12 71889686 KXZKSMYNRGHHJC-HXUWFJFHSA-N 414.484 5.194 0 40 HKAB CNC(=O)c1cccc(CSc2nnc(-c3ccc(F)cc3)c3ccccc23)c1 79102405 HTNLLZRTWBRRLD-UHFFFAOYSA-N 403.482 5.088 0 40 HKAB Cc1ccc2nc(Cl)c([C@@H]3CC(c4ccsc4)=NN3C(=O)c3ccco3)cc2c1 89657559 YHEYRMGAISCYFA-IBGZPJMESA-N 421.909 5.843 0 40 HKAB O=C(Nc1ccccc1Cl)Nc1ccccc1Cc1nc(-c2cccs2)no1 96119765 IFEZPVLNSWWQSW-UHFFFAOYSA-N 410.886 5.686 0 40 HKAB CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1 106733564 UFMGHDOUIAQMEV-OCKHKDLRSA-N 419.905 5.750 0 40 HKAB COc1ccc([Si](C)(C)COc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 195011741 PJKUTMONJXDZNR-UHFFFAOYSA-N 400.635 5.529 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(OC2CCCC2)cc1 222725336 GVNQXGFVBOELLS-UHFFFAOYSA-N 410.366 6.187 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1Cc1ccccc1 223404270 FMMTVWFHUWOYPF-BJKOFHAPSA-N 410.546 5.045 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2)c1 224191787 WFSOMITXWKKSED-UHFFFAOYSA-N 403.522 6.014 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1cc(C)cc(C)c1 224533590 FOYFSYIHOQGJHK-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1cc(C)cc(C)c1 224535005 KMLRXQRFDOOQKF-UHFFFAOYSA-N 417.505 5.736 0 40 HKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1Oc1ccccc1 224892233 NCFCUDJEDAMXKS-UHFFFAOYSA-N 418.880 6.359 0 40 HKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(C)c(C)c1 225587793 JWTQDICDIJBROT-HSZRJFAPSA-N 416.968 5.575 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@H](C)C3)cc2)CCCCC1 225657269 GPKIKXAIFHIWIX-SFTDATJTSA-N 416.606 5.111 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCc2ccc(C(C)C)cc2)c1 225807094 YZAYXVMYTKOKRS-UHFFFAOYSA-N 404.963 5.169 0 40 HKAB Cc1cccc(CCC2(NC(=S)Nc3ccc(OC4CCCC4)cc3)CCCC2)c1 225869315 AJNUOGJWCXNDLJ-UHFFFAOYSA-N 422.638 6.548 0 40 HKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1[C@H](C)CCC[C@H]1C 245232365 ULNUUSRBFWWGNO-KFWWJZLASA-N 423.504 5.433 0 40 HKAB CCCCc1ccc(C[C@@]2(C)CCc3cccc(-c4ccc(C(=O)O)cc4)c3O2)cc1 257341610 ZLBJCKZZWCXFOF-MUUNZHRXSA-N 414.545 6.721 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4csc(C)n4)cc3)cc2)c1 408621395 OAHCONCJAKFCLI-UHFFFAOYSA-N 400.503 6.472 0 40 HKAB COc1cccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cc(C)ccc3C)n2)c1 408699699 VTTYIFPTPREAEW-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4ccc(C)o4)cc3)cc2)o1 408722861 HCYIJLBOSFKUCH-UHFFFAOYSA-N 400.434 5.661 0 40 HKAB CCCc1sc(Nc2cccc(Cl)c2Cl)nc1-c1ccc(OC)c(OC)c1 408756678 SHXPUXKUWRBDSF-UHFFFAOYSA-N 423.365 6.830 0 40 HKAB Cc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1C1CC1 409126776 BNIOWJFVVHCYRM-GRSHGNNSSA-N 414.914 5.012 0 40 HKAB CCCCOC(=O)c1cc(NC(=O)CSc2ccc(Cl)cc2)ccc1Cl 409175650 ABACRAVYQPNDRN-UHFFFAOYSA-N 412.338 5.681 0 40 HKAB Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccnc1 409208841 ALTHBJDYERRPNW-VXLYETTFSA-N 409.898 5.383 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3c(C)nn(-c4ccccc4)c3Cl)n2)cc1 929058 UQUKVSSIUVTIDC-UHFFFAOYSA-N 424.913 5.219 0 40 HKAB Cc1nc(SCC(=O)Nc2c(C)cccc2C)c2c3c(sc2n1)C[C@H](C)CC3 1326135 SPANVIQJYNZYPA-GFCCVEGCSA-N 411.596 5.472 0 40 HKAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCc3ccc(Cl)cc3Cl)cc12 1837386 XWYJSPYAHFWBMJ-UHFFFAOYSA-N 421.320 6.793 0 40 HKAB biogenic CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)cc4)c3)nc2c1 1862080 MWIJZNJUSHXIMJ-MRXNPFEDSA-N 418.924 7.222 0 40 HKAB CCCOC(=O)c1c(NC(=O)c2ccc(OCC)cc2)sc2c1CCCCC2 2081289 PNGAGMMHOGMMTM-UHFFFAOYSA-N 401.528 5.235 0 40 HKAB Cc1cc(Br)ccc1N1COc2c(cc3c(C)c(C)c(=O)oc3c2C)C1 2125435 PBLVUMNMPKTJHP-UHFFFAOYSA-N 414.299 5.146 0 40 HKAB biogenic CCCCc1ccc(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)cc1 2251152 IKXQURXAXDPJBF-UHFFFAOYSA-N 416.525 5.454 0 40 HKAB FC(F)(F)Oc1ccc2nc(Cl)c(-c3ccc(Br)cc3)cc2c1 2577924 MHYRLNUMGRLBNB-UHFFFAOYSA-N 402.597 6.216 0 40 HKAB CC(C)(C)c1ccc(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)cc1 2640030 PSMZOXBCYFAUCW-UHFFFAOYSA-N 404.297 5.252 0 40 HKAB O=c1oc2ccccc2cc1-c1csc(Cc2nc(-c3ccccc3)cs2)n1 2700404 CIGHOHCBKIGKMY-UHFFFAOYSA-N 402.500 5.631 0 40 HKAB O=C(Nc1ccccc1)c1cc(-c2cccc(Br)c2)nc2ccccc12 2739988 CSBXOYWGLZMAOB-UHFFFAOYSA-N 403.279 5.917 0 40 HKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 2748294 HOSZHCVOPWHUHI-ZWKOTPCHSA-N 409.482 5.473 0 40 HKAB Cc1ccc(-c2c3c(nc4sc(C(=O)Nc5ccc(F)cc5)c(N)c24)CCC3)cc1 2924993 QCOMSCMCLJYCGQ-UHFFFAOYSA-N 417.509 5.734 0 40 HKAB Cc1cc(C)cc(-n2c(SC(F)F)nnc2-c2ccc(Br)cc2)c1 3270645 YSTBMHUBAXHCTC-UHFFFAOYSA-N 410.287 5.628 0 40 HKAB Cc1cccc(OCCC(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)c1 3332671 LLJPHVLWGNFZDQ-UHFFFAOYSA-N 419.959 5.200 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(COc2ccccc2Cl)o1 3430615 KFCKWMRUCONRPS-UHFFFAOYSA-N 413.886 5.067 0 40 HKAB Brc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 4361203 ATEUWZWKKFWGNX-PXNSSMCTSA-N 411.324 5.753 0 40 HKAB CCCCCOC(=O)c1ccc(NC(=O)c2ccccc2CCc2ccccc2)cc1 4698396 JKNXMZUWJWVRGN-UHFFFAOYSA-N 415.533 6.071 0 40 HKAB Cc1ccccc1Nc1c(-c2cccc(Cl)c2)nc2ccc(Br)cn12 4733860 YUGBYIWUQFOWBR-UHFFFAOYSA-N 412.718 6.469 0 40 HKAB CCC(=O)N(CC[C@]1(c2ccccc2)C[C@H](C)N(C)C[C@@H]1C)Cc1ccc(OC)cc1 4785716 FWOQAZJKWCARFG-BERHBOFZSA-N 422.613 5.122 0 40 HKAB CC[C@@]1(C)N=C(SCC(=O)Nc2ccc(F)c(Cl)c2)C(c2ccccc2)=N1 4890932 OKQVUOXCNPFKPV-HXUWFJFHSA-N 403.910 5.178 0 40 HKAB CSc1ccc(/C=C2/SC(=O)N(CNc3ccc(C)c(Cl)c3)C2=O)cc1 5172419 IKOXJRSVVFLNAR-RQZCQDPDSA-N 404.944 5.476 0 40 HKAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2Cl)cc1 5517607 GMEBRSMXHBOVCQ-UHFFFAOYSA-N 403.869 5.454 0 40 HKAB Cc1cc2nc(/C=C/c3c(C)nn(Cc4ccc(F)cc4)c3Cl)sc2cc1C 6530377 WHJIVXGNGSZIMP-CMDGGOBGSA-N 411.933 6.429 0 40 HKAB O=C(NCCCc1nc2ccccc2n1Cc1cccc2ccccc12)c1ccco1 6753065 KHEURSQADHGEJS-UHFFFAOYSA-N 409.489 5.193 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2nonc2-c2ccc(F)cc2)cc1Cl 6756538 WSNYVQDKFGIKGX-UHFFFAOYSA-N 410.232 5.224 0 40 HKAB CCCCCCNCc1cc(Br)c(OCc2ccccc2)c(OC)c1 7260962 NYOLZWJIHXBJOL-UHFFFAOYSA-N 406.364 5.707 0 40 HKAB COCc1nn2c(-c3ccc(Br)cc3)cc(C)nc2c1-c1ccccc1 7604621 SCGSVJUBBYDSSO-UHFFFAOYSA-N 408.299 5.281 0 40 HKAB CCc1cccc2c(C(=O)[C@H](Sc3nnc(C)n3C3CC3)c3ccccc3)c[nH]c12 7617819 ITLAHWFBOUGFIR-HSZRJFAPSA-N 416.550 5.681 0 40 HKAB COc1ccc(CNC(=S)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)cc1 7662651 IRXRPDGZPKZRBF-FQEVSTJZSA-N 421.591 5.034 0 40 HKAB CC(C)[C@H](C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C)c1ccc(Cl)cc1 7781093 HVPOOSQXFDUWOA-XZOQPEGZSA-N 415.961 5.754 0 40 HKAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1csc(-c2cccs2)n1 8860934 WJYKGKWVZGSDPL-UHFFFAOYSA-N 421.551 5.109 0 40 HKAB O=C(COC(=O)c1c(F)cccc1F)Nc1cc(Cl)ccc1Oc1ccccc1 9632264 KPLANYSIFJMUJH-UHFFFAOYSA-N 417.795 5.206 0 40 HKAB Cc1ccc(-n2nc(-c3ccc(Cl)cc3)c3cnc4c(F)cc(F)cc4c32)cc1C 9676084 PZMJOCBIIQPKLB-UHFFFAOYSA-N 419.862 6.789 0 40 HKAB CC(C)n1ncc2c(C(=O)Nc3cccc(Cl)c3Cl)cc(-c3ccco3)nc21 10511094 JMUKCTBQVZVSBF-UHFFFAOYSA-N 415.280 5.831 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2C[C@@H](C)C[C@H](C)C2)cc1 12419656 OFSZKTZBIOOAMI-HOTGVXAUSA-N 416.568 5.027 0 40 HKAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(Br)o1 12798293 UBCIXFPVTPHWIF-UHFFFAOYSA-N 405.229 5.271 0 40 HKAB Cc1c(NC(=O)C(C)(C)c2ccccc2)cccc1C(=O)N1CCc2sccc2C1 12891406 HWIDFJZQOZUZDY-UHFFFAOYSA-N 418.562 5.171 0 40 HKAB CSc1cccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)c1 14061838 KCXLZQRMZTXVRM-UHFFFAOYSA-N 418.518 5.998 0 40 HKAB COc1ccc(-c2c(C)nn3c2N=C(c2ccccc2C)C[C@H]3c2cccnc2)cc1 14607621 UCBLLLBESMDDCJ-DEOSSOPVSA-N 408.505 5.684 0 40 HKAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1Oc1ccccc1 15316945 KKJIVRWTQNEJGM-OAHLLOKOSA-N 412.283 5.647 0 40 HKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OC(=O)c4cccs4)c2)N3)C1 15947651 VBNCUZIHZUJHJH-CWTRNNRKSA-N 424.547 5.583 0 40 HKAB CCCC1=C(C(=O)OCC)[C@@H](c2c[nH]c3ccccc23)n2c(nc3ccccc32)N1 17081905 JUZQVHAZMKOLLQ-JOCHJYFZSA-N 400.482 5.150 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 19932892 ZHKRJFPIFCKAKI-UHFFFAOYSA-N 411.545 6.569 0 40 HKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 19945495 REZBUXOAIJOLEP-UHFFFAOYSA-N 422.912 5.944 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 20035802 WZCIVRGFZVQOPN-LJQANCHMSA-N 407.819 6.308 0 40 HKAB O=C(NCCC(c1ccccc1)c1ccccc1)Nc1cccc(N2CCCC2=O)c1 24632853 LICMFMZGPQIYBF-UHFFFAOYSA-N 413.521 5.157 0 40 HKAB CCCOc1ccc(Cn2c(-c3cccc(Br)c3)nc3ccccc32)cc1 26533542 RBNPNXUTSVSOEY-UHFFFAOYSA-N 421.338 6.303 0 40 HKAB Cc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 27744465 GPOQDCBVFBKJTP-OAQYLSRUSA-N 418.924 5.457 0 40 HKAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cc(-c2ccc(Br)cc2)no1 27794252 JVEIDPUWRQTCQG-MRXNPFEDSA-N 419.250 5.039 0 40 HKAB Cc1ccc2c(C)c(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)oc2c1 27794529 NNVCBTRJUBKBBP-NRFANRHFSA-N 410.945 5.660 0 40 HKAB COc1ccc([C@@H]2CCCN2C(=O)CC(c2ccccc2)c2ccccc2)cc1OC 32895172 QIAHDCQCPLEUDS-DEOSSOPVSA-N 415.533 5.590 0 40 HKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2c(C)noc2C)cc1Cl 35671693 BMYYIOWREVQQQP-UHFFFAOYSA-N 424.840 5.183 0 40 HKAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccc(C(F)(F)F)c2)c(OC)c1 36357594 UALGECCDZHLWEQ-INIZCTEOSA-N 417.387 5.032 0 40 HKAB COc1ccc(OC)c([C@@H]2CC(O)=Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)c1 36360868 SWGVQUIYAZVXGM-INIZCTEOSA-N 417.387 5.032 0 40 HKAB Cc1ccc([C@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)c(C)c1 36616196 BHUIRZZAXKFGAR-KRWDZBQOSA-N 416.500 5.284 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)N1CCC[C@H]1c1ccsc1 40105514 ZBSHQFJILSHDPS-KRWDZBQOSA-N 409.477 5.736 0 40 HKAB Cc1cccc(OC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)c1C 41076863 PDYDCUFKWAGIPZ-UHFFFAOYSA-N 420.509 5.538 0 40 HKAB CCc1ccc(Cl)c(CC)c1NC(=O)N(C)CC(=O)Nc1cccc(C)c1C 48312354 JLULEXNAYGQQFK-UHFFFAOYSA-N 401.938 5.184 0 40 HKAB CCOC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(CCC2=CCCCC2)C1 54114194 ARZFQUHHCILLLP-UHFFFAOYSA-N 419.521 6.114 0 40 HKAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1c(-c2ccc(F)cc2)ncn1C 58137255 OQSUCVYWCVWYJW-QGZVFWFLSA-N 415.468 5.299 0 40 HKAB Cc1c(Cl)cccc1NC(=O)Cn1c(C)c(C(=O)C(F)(F)F)c2ccccc21 59109442 CLURSKAPFMDCNK-UHFFFAOYSA-N 408.807 5.295 0 40 HKAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2sc3ccc(F)cc3c2C)c1C 60102655 PLLVGALNADZURU-UHFFFAOYSA-N 420.531 5.061 0 40 HKAB CSc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)c1 67297149 MTVCZPPWMWEBDX-QPLCGJKRSA-N 414.530 6.256 0 40 HKAB COc1ccc2oc(-c3cccc(NC(=O)COc4ccc(C)cc4C)c3C)nc2c1 72260288 VRGCTXMRKQMRAD-UHFFFAOYSA-N 416.477 5.446 0 40 HKAB COc1cc(N[C@@H]2CCCN(C(=O)Nc3cc(Cl)ccc3Cl)C2)cc(OC)c1 79111414 KYGCZRRHUOJMTA-CQSZACIVSA-N 424.328 5.119 0 40 HKAB OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc(Cl)cc2)C[C@H](c2ccccc2)C1 100425673 VYHRPYQSAWOKNB-AVRWGWEMSA-N 400.909 6.969 0 40 HKAB Cn1/c(=N/C(=O)c2ccc(C(=O)c3ccccc3)cc2)sc2c3ccccc3ccc21 100842146 LHUHTTSYGPOMKB-RQZHXJHFSA-N 422.509 5.365 0 40 HKAB Cc1cc(C)cc(NC2=C[C@H](c3ccc(Cl)cc3)N(c3cc(C)cc(C)c3)C2=O)c1 103673169 UHVPUIGXUXCXFE-RUZDIDTESA-N 416.952 6.658 0 40 HKAB CC/N=C1\S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1CC 109596543 PKWPZMFINBJVNP-DNLCFCFBSA-N 400.931 5.231 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118923689 DASOUCLGLBPXLC-ZCLGVQAQSA-N 414.718 8.025 0 40 HKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 209940270 CYJSNZBHAMEETA-DHIUTWEWSA-N 414.509 5.189 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 222971777 XZPIUAMBTUZRAQ-LAUBAEHRSA-N 411.542 5.313 0 40 HKAB Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223376690 KAAQXMXSFFXLCP-JWQCQUIFSA-N 424.573 5.353 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1ccccc1C 224098658 WWQGUPUUDFHQON-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1c1ccccc1 224153170 IHATYTHPQSWRSN-IAGOWNOFSA-N 416.369 5.083 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1ccccc1Cl 224476558 ZMXHXKXNQMBTIL-UHFFFAOYSA-N 423.940 6.441 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224928190 KEAYNGIUEINQAR-UHFFFAOYSA-N 414.480 6.525 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)CSCc3ccc(Cl)cc3)ccc21 225131813 WQFSYEXZUQRGEY-UHFFFAOYSA-N 406.960 5.169 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccccc2C)c1 225823680 SRBLTLHRNTWFCF-CEZZIEKDSA-N 404.535 5.013 0 40 HKAB COc1ccccc1C(=O)N1CCC[C@@H](c2cc(-c3ccc(F)cc3)cc(C)n2)C1 257305571 SQOPBQYBZMGTBZ-LJQANCHMSA-N 404.485 5.225 0 40 HKAB CCCCOc1ccc(C(=O)N2CCC3(CCN(Cc4ccccc4)CC3)CC2)cc1 408608158 MUBKDVNMIQKQSN-UHFFFAOYSA-N 420.597 5.384 0 40 HKAB CCOc1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 408620707 JFEOJFNCPGOJHS-UHFFFAOYSA-N 402.705 5.680 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-c2ccc(F)c(Cl)c2)o1 408626158 ZPINPIZYHUAVCB-UHFFFAOYSA-N 407.828 6.784 0 40 HKAB Cc1ccc(NC(=O)COC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccccc23)cc1 408671813 UXIDQCPHXIVHGP-UHFFFAOYSA-N 424.500 5.623 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(F)cc3)n2)cc1 408696151 WUEJSHHREZALAJ-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB COc1ccc2nc(C)c(C(=O)Nc3ccccc3Sc3ccccc3)cc2c1 408713758 SZDYYXJUGARSMH-UHFFFAOYSA-N 400.503 5.955 0 40 HKAB Cc1ccccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H](c2ccccc2)C=C[C@H]1c1ccccc1 408822328 LHAWQMOQFHESOM-AICRDVKUSA-N 411.501 5.388 0 40 HKAB Cc1ccccc1NCc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 409110788 GTGNXZVRTPYUKQ-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB CCCOc1c(I)cc(CNc2ccccc2)cc1OCC 409111680 DUSLENVRRUPVSS-UHFFFAOYSA-N 411.283 5.091 0 40 HKAB Cc1cccc(OCc2nn(CC(=O)Nc3ccc(Cl)c(Cl)c3)c(=S)o2)c1 409158507 XNRAQEGPXHTEFU-UHFFFAOYSA-N 424.309 5.039 0 40 HKAB CC(C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 409346343 KQNZLTBSVSAXAC-ODLFYWEKSA-N 415.898 5.046 0 40 HKAB CC(=O)c1cc2c(cc1C)[C@@H](C)CC(C)(C)N2C(=O)CSc1nc(C)cc(C)n1 584906325 ZWWFXFCDSOCYBC-AWEZNQCLSA-N 411.571 5.016 0 40 HKAB Cc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1C 646562 FWWGHZHOVKURKJ-UHFFFAOYSA-N 423.485 5.572 0 40 HKAB Cc1ccc2oc(-c3cccc(NC(=O)c4ccccc4Br)c3)nc2c1 675735 ZDCGBNKGOHZNEX-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccccc1F 826364 TXPWFRFASICBRD-UHFFFAOYSA-N 411.230 5.649 0 40 HKAB CCc1ccc(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1 856959 ACYSLQUQVUDYRR-LJQANCHMSA-N 413.348 6.137 0 40 HKAB Cc1cc2cc(CN(Cc3ccccc3)C(=O)NC3CCCCC3)c(=O)[nH]c2cc1C 880424 HRPPXHVYPIBGJT-UHFFFAOYSA-N 417.553 5.189 0 40 HKAB O=C(C1CCCCC1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2)cs1 932781 CPHWGQDIFUMKEX-SFHVURJKSA-N 404.963 5.556 0 40 HKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2)n2c(nc3ccccc32)N1 1068731 QMEZZXYJEPZUTG-QFIPXVFZSA-N 414.896 5.617 0 40 HKAB COC(=O)c1c(-c2ccccc2)c(-c2ccccc2)c2nsnc2c1-c1ccccc1 2184622 FVRQBQADLBFFOX-UHFFFAOYSA-N 422.509 6.479 0 40 HKAB CCCCSc1nc(NCc2ccco2)c2c3c(sc2n1)CO[C@](C)(CC)C3 2235307 QZEFQIROSLTXPP-OAQYLSRUSA-N 417.600 6.030 0 40 HKAB Cc1ccc(-n2c(SCCC(C)C)nc3sc4c(c3c2=O)[C@H](C)CCC4)cc1 2262561 GULPCGAZSWCQDB-MRXNPFEDSA-N 412.624 6.334 0 40 HKAB Oc1ccc(Cl)cc1-c1cc(-c2ccc3c(c2)OCO3)cc(-c2ccccc2)n1 2267500 ILTHJIHDGKAKAX-UHFFFAOYSA-N 401.849 6.170 0 40 HKAB Cc1ccc(OCc2nnc(SCc3cccc(C)c3)n2Cc2ccco2)cc1 2446234 ORDKCAPWZXWHPU-UHFFFAOYSA-N 405.523 5.408 0 40 HKAB COc1cccc(CSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)c1 2651194 QBTJUOCZBJIJRM-PXLXIMEGSA-N 418.493 5.511 0 40 HKAB O=C(Oc1ccc2c(=O)c(-c3nc4ccccc4s3)coc2c1)C1CCCCC1 2666269 KWLICBBLDIVLQN-UHFFFAOYSA-N 405.475 5.555 0 40 HKAB biogenic Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(C)c4)cc2-3)OCCO5)cc1 2690333 HSRUDBBOHOCBFE-UHFFFAOYSA-N 421.500 5.639 0 40 HKAB C[C@H](Cc1ccccc1)n1c(-c2ccccc2)nc2sc3c(c2c1=O)CCCC3 3154339 SXAULMGPHGRASJ-QGZVFWFLSA-N 400.547 5.808 0 40 HKAB O=C(Nc1nc(-c2cccs2)cs1)c1cc(-c2cccs2)nc2ccccc12 3177962 XOBVPKRXIKYFOU-UHFFFAOYSA-N 419.556 6.401 0 40 HKAB O=C(OCCCC(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1COc2ccccc2O1 3376328 AHBCKCOXPDMWAW-DEOSSOPVSA-N 424.443 5.260 0 40 HKAB COc1ccc(C(=O)[C@@H](C)c2ccc(OCc3ccccc3)cc2OC)cc1OC 3843467 XNDMXYBXXHBRPH-KRWDZBQOSA-N 406.478 5.278 0 40 HKAB biogenic CCC(=O)Nc1ccc2nc(SCc3c(C)cc(C(C)(C)C)cc3C)sc2c1 4592214 SXFRBNHHTNIKMT-UHFFFAOYSA-N 412.624 6.851 0 40 HKAB COc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c2ccccc12 5242833 GGQAQVVZGXXFLQ-MRXNPFEDSA-N 415.518 5.425 0 40 HKAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1c(-c2ccccc2)[nH]c2ccccc12 5401199 DFGGCJUGECSRRY-UHFFFAOYSA-N 414.534 5.614 0 40 HKAB CC(C)(C)[P@](=Nc1cc(Cl)ccc1Cl)(c1ccccc1)N1CCOCC1 5496487 XJZJDIDZBLEAKR-SANMLTNESA-N 411.313 6.197 0 40 HKAB CC(C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(C)C)cc3)nc2)cc1 5633611 SVFCFLIWFWCFQJ-UHFFFAOYSA-N 401.510 5.833 0 40 HKAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2cc(C)c(C)cc2C)n1 6060082 KCCCTURBDSTVHM-UHFFFAOYSA-N 401.919 5.034 0 40 HKAB COC(=O)c1c(NC(=O)CC(c2ccccc2)c2ccccc2)sc2c1CCCC2 6126350 OXKGKHSXGZWSDO-UHFFFAOYSA-N 419.546 5.574 0 40 HKAB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3o2)cc1 6374914 HQZKVHCXNLBRMA-UHFFFAOYSA-N 414.461 5.773 0 40 HKAB O=C(NCCCc1nc2ccccc2n1Cc1ccccc1Cl)C1CCCCC1 6752600 BERUXLWHECYUSG-UHFFFAOYSA-N 409.961 5.367 0 40 HKAB CCc1ccc(N(CC(=O)c2ccc(OC(F)F)cc2)C2=NCCCCC2)cc1 6870955 AKMJPYBYFOERTA-UHFFFAOYSA-N 400.469 5.512 0 40 HKAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 6885323 PDHMSINVHNXUGM-UHFFFAOYSA-N 412.411 5.789 0 40 HKAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1 8255870 CNQPQVIJAFYLMI-LBPRGKRZSA-N 418.975 5.423 0 40 HKAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 8273410 QRDFPUWZBZNUMB-UHFFFAOYSA-N 409.533 5.398 0 40 HKAB Cc1ccc(-c2ccc(/C=N/Nc3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 8371255 BETDAOZHLIERIW-RGVLZGJSSA-N 400.232 5.372 0 40 HKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)C(c1ccccc1)c1ccccc1 9227581 PICUADFJKLORQZ-UHFFFAOYSA-N 410.473 5.611 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1nc(SCc2ccccc2F)ncc1Cl 9303809 JFDJDODCNHXKLA-UHFFFAOYSA-N 408.285 5.467 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)c1 9365798 UTVWSUJSQGVSQV-LJQANCHMSA-N 420.563 5.622 0 40 HKAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2nnc(Cc3ccccc3)s2)cc1 9664424 WCCVYNVYTGMAFD-UHFFFAOYSA-N 420.563 5.050 0 40 HKAB CCOc1cccc2c1O[C@H](c1cccc(F)c1)N1N=C(c3cccc(OC)c3)C[C@@H]21 12195684 WWKRMMMPGFJZKU-WIOPSUGQSA-N 418.468 5.475 0 40 HKAB C[C@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 13670353 WHOXGHIYGSGJCO-IBGZPJMESA-N 403.591 6.767 0 40 HKAB Cc1ccccc1COc1ccc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1 13925136 PUPOFAUEZOCQII-HMAPJEAMSA-N 403.865 5.572 0 40 HKAB O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1cccc2ccccc12 14132371 UTHSNBKCNZOUGR-XDHOZWIPSA-N 413.420 6.095 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)cc1C 14609435 DNJRWESVOSUIQH-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc3c4c(cccc24)CC3)cc1Cl 15304036 LJXJADZGEOBLLX-AREMUKBSSA-N 424.931 6.671 0 40 HKAB O=C(NC1CC1)[C@H](Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 17726809 BTJPCIDYCGJXAG-MRXNPFEDSA-N 403.322 5.123 0 40 HKAB COc1cccc(C(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c1OC 19691501 NBYDCOTWIJJCQW-JOCHJYFZSA-N 420.484 5.191 0 40 HKAB O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N1CCC[C@@H]1c1ccccc1 22328646 LEMMAJGZNJHTGE-QXLXQBSBSA-N 409.379 5.266 0 40 HKAB O=c1c2cc(Br)ccc2ncn1Cc1sc2ccccc2c1Cl 24969137 PERGUYHPECRRCA-UHFFFAOYSA-N 405.704 5.075 0 40 HKAB Cc1cccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)ccc3o2)c1 34703547 CKFPQYZCHBELHX-UHFFFAOYSA-N 422.484 6.932 0 40 HKAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 44886552 IVYNWNCRDLEHPB-HSZRJFAPSA-N 407.485 5.187 0 40 HKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)NCCC4=CCCCC4)ccc32)c1 46078644 CFLIKICUFCJKFV-UHFFFAOYSA-N 402.538 5.208 0 40 HKAB Cc1cccc(Cc2cnc(NC(=O)c3ccc(-c4cnco4)cc3)s2)c1Cl 58391086 MMZQQHHGFOXMQS-UHFFFAOYSA-N 409.898 5.603 0 40 HKAB O=c1c2ccccc2nc(SCCc2ccccc2)n1Cc1ccccc1Cl 67258495 FJOFWGMGYPKXOS-UHFFFAOYSA-N 406.938 5.433 0 40 HKAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1Cc1ccccc1 72215065 OBXQWFBPOWSABJ-HSZRJFAPSA-N 423.601 6.350 0 40 HKAB CC(=O)Nc1cccc(NC(=O)C(C)(C)Oc2ccc([C@H]3CC3(Cl)Cl)cc2)c1 72402822 LJIRKWKEAQRXKR-GOSISDBHSA-N 421.324 5.102 0 40 HKAB CC(C)(C)[C@H](NCc1nc(-c2cc(Br)cs2)no1)c1ccccc1 84169198 ILOMJFUJPPZBOK-MRXNPFEDSA-N 406.349 5.438 0 40 HKAB C[C@@H](NC(=O)c1sc2ccccc2c1C[S@](C)=O)c1ccc2ccccc2c1 89905135 AOECQIVRTWITAH-WQIZZMQYSA-N 407.560 5.424 0 40 HKAB CCc1ccc(-c2noc(-c3cn(-c4cccc(OC)c4)c(=O)c4ccccc34)n2)cc1 96324278 FTDNJKATARPAFZ-UHFFFAOYSA-N 423.472 5.279 0 40 HKAB C[C@]12[C@@H](c3ccc(F)cc3)c3ccccc3O[C@]1(c1cccs1)C2(Cl)Cl 100166278 LGQNCDSWNAUXGK-UFYCRDLUSA-N 405.321 6.501 0 40 HKAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3nc(-c4ccc(Cl)cc4)c(C)s3)C(=O)[C@@H]21 100859526 ZXAOMJKVEMPICG-AHCXZYCDSA-N 412.942 5.254 0 40 HKAB COc1ccc2c(c1)c(C[C@H](C)NC(=O)c1c(C)c3cc(Cl)ccc3n1C)cn2C 141598273 UMQDYXYGCNCSRR-AWEZNQCLSA-N 423.944 5.001 0 40 HKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 222980372 VMIYLJBYZMOUFY-RTWAWAEBSA-N 409.580 5.598 0 40 HKAB CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C 223398103 LQGSMEMZWOOUKY-UHFFFAOYSA-N 407.514 5.013 0 40 HKAB COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccccc1C(C)C 224236344 NUJPJRFKQLCNEO-UHFFFAOYSA-N 409.570 6.240 0 40 HKAB CCn1c(=O)sc2cc(NC(=O)c3ccccc3CCc3ccccc3)ccc21 225102668 QYXZPNKJXWRUAE-UHFFFAOYSA-N 402.519 5.120 0 40 HKAB CCc1nc2ccc(NC(=S)N[C@@H](CC(=O)O)c3cccc(Cl)c3)cc2s1 225229886 RPYPOZDPOMIYQD-HNNXBMFYSA-N 419.959 5.015 0 40 HKAB CCCCOc1ccc(NC(=O)[C@@]2(OCCC)CCC[C@H](C)C2)cc1C(=O)OCC 225854162 ZONPCBFICWSRQG-MHECFPHRSA-N 419.562 5.356 0 40 HKAB CN(C)C(=O)C1(Cc2ccccc2-c2ccncc2)CCN(CC2CCCCC2)CC1 257231787 GIFWQVGBBAAXAZ-UHFFFAOYSA-N 419.613 5.042 0 40 HKAB CCCC(=O)N1CCC(Cc2cccc(-c3ccccc3C)c2)(C(=O)NC(C)C)CC1 257252098 JTOGWSXSAHNTHZ-UHFFFAOYSA-N 420.597 5.138 0 40 HKAB COc1ccccc1-c1ccc([C@H]2C[C@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1 257325944 WVCGKSSILDMEGV-BGSNPXOBSA-N 407.554 5.523 0 40 HKAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3ccc(Cl)cc3)sc2n1 408618315 GHVMVNODGOKRPM-UHFFFAOYSA-N 418.975 5.309 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2cccc(Cl)c2C)cc1 408698020 LBHWZOXUFCVWEO-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CCCc1ccc(-c2cc(=S=NS(=O)(=O)c3ccccc3)ss2)cc1 408730866 JQZXSMZGSKMSLR-UHFFFAOYSA-N 407.607 5.616 0 40 HKAB CCOC(=O)C1=C(C)N=C(SCc2c(C)cc(C)cc2C)N[C@@H]1c1ccccc1 408993969 XSINZQXHBLYDGU-JOCHJYFZSA-N 408.567 5.383 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1cccc(F)c1 409023607 IJSMXVTVRSBYKR-UDWIEESQSA-N 415.486 5.248 0 40 HKAB Cc1ccc(S(=O)(=O)Oc2ccccc2CNc2ccc(C)c(Cl)c2)cc1 409115397 MJEKKLKUUTYLKX-UHFFFAOYSA-N 401.915 5.337 0 40 HKAB Cc1ccc2c(c1)Cc1cccc(c1)CN(Cc1cccc(F)c1)CCCCCO2 643579659 GRJSOLOPZKOGPC-UHFFFAOYSA-N 403.541 6.290 0 40 HKAB O[C@@H]1[C@H](NCc2ccccc2)CC[C@H]1N(Cc1ccccc1)Cc1ccc(Cl)cc1 1848354846 XSGFDQTXMUWZBC-TWJOJJKGSA-N 420.984 5.024 0 40 HKAB CCOc1ccc([C@H](Cc2ccccc2)NC(=O)c2ccc(F)cc2)cc1OCC 668066 LODZBGSBQSGCTO-QFIPXVFZSA-N 407.485 5.337 0 40 HKAB Cc1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)cc1 728197 UIHKFPMLMMGUIP-UHFFFAOYSA-N 404.473 5.624 0 40 HKAB Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)OCc2ccccc2)c(C)c1 854806 VCDDNRYPGNIFLB-DEOSSOPVSA-N 414.505 5.006 0 40 HKAB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(Cl)cc1 876357 OJTVSASITVLCKM-UHFFFAOYSA-N 422.337 5.159 0 40 HKAB Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)c(C)c1 919423 XMFMLJONLCZURG-RHSMWYFYSA-N 404.392 5.006 0 40 HKAB S=C(Nc1ccc(Cl)cc1)N1CCS[C@@H]1c1ccc(Br)s1 1441319 MKKCWCMDUIHEID-CYBMUJFWSA-N 419.822 5.608 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c(C)c1 1868563 BJBBJRXUMNLSNZ-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB O=C(c1ccc(Cl)cc1)c1c(NC(=O)C2CCCCC2)sc2c1CCCC2 2074591 KLJZUFVLBXSFOC-UHFFFAOYSA-N 401.959 6.030 0 40 HKAB COc1ccc(N2N=C(C(C)=O)N(C3CCCCC3)[C@H]2c2c[nH]c3ccccc23)cc1 2295715 NKRNTJWYFUWBJU-RUZDIDTESA-N 416.525 5.233 0 40 HKAB O=C(Nc1cccc(Cl)c1)Nc1nnc(CSc2ccc(Cl)cc2)s1 2352274 JWFHKRCANGUBIM-UHFFFAOYSA-N 411.339 5.781 0 40 HKAB CCn1c(NC(=O)c2ccccc2C)c(-c2ccc(OC)cc2)c(=O)c2ccccc21 2440606 ORGYWCUYYDVKJW-UHFFFAOYSA-N 412.489 5.258 0 40 HKAB O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccc(Cl)cc1 3041633 CZEGHIDQPCCPGW-UHFFFAOYSA-N 407.684 5.109 0 40 HKAB aggregator Clc1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(Cl)cc2Cl)c(Cl)c1 3214538 DXGIORKYIDHREV-HOTGVXAUSA-N 410.080 5.457 0 40 HKAB COc1ccc(-c2nn(CN3CCCCC3)c(=S)n2-c2ccccc2C(C)C)cc1 3223160 GDYYORMHPUBVMG-UHFFFAOYSA-N 422.598 5.646 0 40 HKAB CN(C)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cnc3ccccc32)c1 3264465 NQYWGFPEBXQTLR-UHFFFAOYSA-N 424.426 5.363 0 40 HKAB Fc1ccccc1-c1nnc(SCCOc2ccccc2)n1Cc1ccccc1 3292936 FDKUGFCQCLDPNC-UHFFFAOYSA-N 405.498 5.304 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)/C=C/c2ccccc2Cl)c2ccccc2)c1 3300123 KOKYGMDMQOMAFP-BYUVYSIJSA-N 419.908 5.893 0 40 HKAB O=C(COC(=O)c1cccc(Cl)c1)Nc1cc(Cl)ccc1Oc1ccccc1 3329407 WQUQFOZQVNWMCT-UHFFFAOYSA-N 416.260 5.581 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 4031630 AQJYPYZHTZHUJQ-UHFFFAOYSA-N 415.876 5.985 0 40 HKAB CCc1ccc(NC(=O)CSc2cn(Cc3cccc(F)c3)c3ccccc23)cc1 4060700 AFOBKDLAEWBYOS-UHFFFAOYSA-N 418.537 6.122 0 40 HKAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1c(F)cccc1Cl 4305562 UDZFRDCQSPXKNT-GOSISDBHSA-N 400.906 5.074 0 40 HKAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1sc2ccccc2c1Cl 4348463 JYTFOVZUSGTVLK-UHFFFAOYSA-N 402.884 5.188 0 40 HKAB COc1ccc2nc(Cl)c(CN(Cc3cccc(C)c3)C(=O)C3CCC3)cc2c1 4969484 QSNQOSXRABGSHZ-UHFFFAOYSA-N 408.929 5.534 0 40 HKAB Fc1cc(F)c2ncc3c(-c4ccccc4)nn(-c4ccc(F)c(Cl)c4)c3c2c1 4969950 OKMBUHWMGSXEED-UHFFFAOYSA-N 409.798 6.311 0 40 HKAB Cc1ccccc1NCC(=O)Nc1ncc(Cc2c(Cl)cccc2Cl)s1 5012194 LCPYMLOYQUXAIV-UHFFFAOYSA-N 406.338 5.400 0 40 HKAB Cc1nc(SCC(=O)c2cc(Cl)sc2Cl)c2oc3ccccc3c2n1 5180228 QYQKLPDZEUCPGN-UHFFFAOYSA-N 409.319 6.028 0 40 HKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)nc2c1 6377487 FLGNANIRDOWIRR-UHFFFAOYSA-N 400.434 5.599 0 40 HKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(C)c4)cc3n2)cc1 6630113 DJQOIHRUYIEGAH-UHFFFAOYSA-N 413.525 5.136 0 40 HKAB O=C(c1cccc(Cl)c1)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 6863015 YPHMEKSGVWTWTE-ZNGPQJNKSA-N 406.869 5.963 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc1 7080145 YXPPXJPWWWUTQT-SFHVURJKSA-N 414.505 6.334 0 40 HKAB CCOc1cc(Br)cc2cc(-c3nc4cc(C)c(C)cc4[nH]3)c(=O)oc12 7342801 HNQQTAMVZFASLM-UHFFFAOYSA-N 413.271 5.114 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(N3CCCCC3)cc2)sc2c1CCCC2 7504644 BAXLUHKLFXJJGR-UHFFFAOYSA-N 412.555 5.046 0 40 HKAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(-c2ccccc2F)o1 8305122 IRMIMOONBKEJJF-UHFFFAOYSA-N 416.456 5.323 0 40 HKAB CCCOC(=O)c1ccc2nc(C)c(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c(O)c2c1 8717204 DDZVLVSXWAYALD-BVZFJXPGSA-N 410.558 5.216 0 40 HKAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1 9379937 KZOUIGIPJYBXKE-UHFFFAOYSA-N 402.881 5.337 0 40 HKAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1nnc(-c2ccc(F)cc2)o1 9446183 VMPUHDXNUAWUPN-CQSZACIVSA-N 421.501 5.246 0 40 HKAB COc1cc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc(OC)c1OC 9633124 LQPDCAONZJEXSF-UHFFFAOYSA-N 420.490 5.241 0 40 HKAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 9754478 JFZPMLXYNGBAEC-QFIPXVFZSA-N 422.488 5.240 0 40 HKAB CCn1c2ccccc2c2cc(CN(C)C(=O)c3ccccc3[S@@](=O)CC)ccc21 12609563 JFTXSOXNLMMWAW-SSEXGKCCSA-N 418.562 5.214 0 40 HKAB Cc1cccc(-c2noc(CN(C(=O)Nc3ccccc3C)C3CCCCC3)n2)c1 12654119 NUGUKVHCFPVPRP-UHFFFAOYSA-N 404.514 5.720 0 40 HKAB C[C@@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)c1nc(C(C)(C)C)no1 12753193 OFRKTYVTLJPKDA-SECBINFHSA-N 412.993 5.850 0 40 HKAB O=C(c1ccc(Br)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 12925898 AUEGBCASXVAIGP-AWEZNQCLSA-N 401.329 5.079 0 40 HKAB CCN(CC)[C@H](CNc1ncnc2sc3c(c12)CCCC3)c1ccccc1Cl 13041953 HXRYJWARMGFFCX-GOSISDBHSA-N 415.006 5.719 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H](C)Oc1ccccc1Cl 13709795 CCQBIFAPETXFRG-KRWDZBQOSA-N 411.954 6.347 0 40 HKAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1SCc1ccsc1 15720253 GUKWJZBOJNGRPW-UHFFFAOYSA-N 406.532 6.256 0 40 HKAB Cc1cccc2nc(CSc3cc(C(F)(F)F)c4cc5c(cc4n3)OCO5)cn12 16362504 LGIMGPNNIHXGJT-UHFFFAOYSA-N 417.412 5.231 0 40 HKAB CCOc1ccc(C(=O)NC(=S)Nc2nc3c(C)ccc(C)c3s2)cc1Cl 16692380 USDMHHVEMWMTDW-UHFFFAOYSA-N 419.959 5.092 0 40 HKAB CN1CCN([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cccs2)CC1 19790441 NRFOCGXAYOMZMS-OAQYLSRUSA-N 400.632 5.386 0 40 HKAB O=C(Nc1cccc(F)c1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 28539320 XKTYXNHZELYRRJ-UHFFFAOYSA-N 419.459 6.355 0 40 HKAB C[C@@H](NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1nnc(-c2cccs2)o1 28809558 VTLDLHRLAVEIES-VQIMIIECSA-N 414.534 5.762 0 40 HKAB CCOc1ccc(-n2nnc(-c3nc(-c4ccc(C(C)C)cc4)cs3)c2N)cc1 33265156 HUEJQJCZXFWGCR-UHFFFAOYSA-N 405.527 5.162 0 40 HKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@]21C 36372116 HXZHKSJRLUJGSY-UTISNNAQSA-N 404.591 5.325 0 40 HKAB CC(C)n1c(S[C@H](C)C(=O)NC2CCCCC2)nnc1-c1cc2ccccc2o1 39773102 BSGAFRUTAVPQPV-OAHLLOKOSA-N 412.559 5.202 0 40 HKAB CCCCOc1ccc(-c2cc(C(=O)Nc3nnc(SCCC)s3)no2)cc1 46086563 IOORUFIPGWBKPA-UHFFFAOYSA-N 418.544 5.126 0 40 HKAB Cc1cccc(C(=O)Oc2ccc(/C=C3/N=C(c4ccc(Cl)cc4)OC3=O)cc2)c1 59503440 KVCHCODGHJIDOR-KGENOOAVSA-N 417.848 5.212 0 40 HKAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)cc1 67259569 UVNBPCAHXALGNT-UHFFFAOYSA-N 418.949 6.034 0 40 HKAB COc1c(C)cccc1C(=O)Nc1c(C)cc2nc(-n3nc(C)cc3C)sc2c1C 72228748 RSOKEMDUYWNQMP-UHFFFAOYSA-N 420.538 5.285 0 40 HKAB O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc(Cl)cc1)N1CCCCC1 72328471 HMCHTOCUYHMVJC-UHFFFAOYSA-N 414.336 5.780 0 40 HKAB O=C(c1ccccn1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72349234 XZYPNQSRQBSVDP-QGZVFWFLSA-N 411.427 5.182 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)N(CCc1cccs1)Cc1ccco1 77184045 QDKWOFSHLGAHRI-UHFFFAOYSA-N 416.546 5.885 0 40 HKAB O=C1NC(=O)/C(=C\c2ccc(OCCC3CCCCC3)c(Br)c2)S1 77273786 NNJXJDRXWLCJSS-LFIBNONCSA-N 410.333 5.122 0 40 HKAB in-vitro CCCC1CCC(C2CCC(C(F)(F)Oc3cc(F)c(F)c(F)c3)CC2)CC1 80720195 QCRXXWNFJYKLHB-UHFFFAOYSA-N 404.463 7.488 0 40 HKAB COc1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)c1 90421071 CRCNVBUVCLPNPE-UHFFFAOYSA-N 400.261 5.485 0 40 HKAB C[C@H](Nc1cccc(-c2nc3ccccc3s2)c1)C(=O)Nc1c(F)cccc1F 95469830 UTRHYYCPHLOLSA-ZDUSSCGKSA-N 409.461 5.681 0 40 HKAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cccc3ccccc23)S1 96118259 NJZKWLJAYGXQMC-UZLBHIALSA-N 407.539 5.346 0 40 HKAB CCCc1ccc(-c2csc(N3C(=O)[C@H]4[C@@H]5CC[C@H](C5=C(C)C)[C@@H]4C3=O)n2)cc1 100966674 GGWYDROXNIJJJZ-JYWFKMLOSA-N 406.551 5.244 0 40 HKAB O=C1CC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)Oc2ccc(Cl)cc21 170550368 OLEAWDVYZPWBFK-UHFFFAOYSA-N 405.281 5.025 0 40 HKAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 218967014 BXPNFYZANJILOS-UHFFFAOYSA-N 403.566 6.097 0 40 HKAB COc1cccc(CCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 219842813 RHCHVRLZNIXXQT-UHFFFAOYSA-N 409.913 5.290 0 40 HKAB CSc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C 222632790 KPNWZBJABWORJK-RGEXLXHISA-N 408.548 5.188 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(C(=O)O)cc4)o3)N21 222712979 VPQWQLNJPNQOEF-TYCQWZJGSA-N 419.506 5.019 0 40 HKAB Cc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)CC(C)(C)O2 222728057 GYRYNHGWHICYAD-GOSISDBHSA-N 424.393 5.954 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](c1ccccc1)c1ccccc1C 223073320 VTJWBTKPWIPABN-SXOMAYOGSA-N 413.561 5.937 0 40 HKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1)c1ccc2c(c1)CCCC2 223099018 QOOURNVSAVOWPD-IZZNHLLZSA-N 401.550 6.144 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1ccccc1 224086863 DMJXUCWWPLCHML-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccccc1Cl 224134676 GKHSUOWVSXQENL-UHFFFAOYSA-N 403.812 5.458 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)C2(c3ccccc3)CCCC2)cc1 224154847 UCSRSIVHWLPORC-UHFFFAOYSA-N 421.924 6.591 0 40 HKAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1CSc1ccccc1 224326970 BUNBPOXNMXOJGL-UHFFFAOYSA-N 409.507 5.257 0 40 HKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1 224523418 ILGQTICFWRHRPN-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(NCc1ccccc1Cl)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224924622 WRBYSIZRRZLZLH-UHFFFAOYSA-N 406.844 5.731 0 40 HKAB COc1ccc(CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225556447 GZPVNRTYYDNDLU-UHFFFAOYSA-N 402.869 5.287 0 40 HKAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1OCC 225750562 PTGBRUIZONZDLL-ZDUSSCGKSA-N 412.477 5.550 0 40 HKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(OCc2ccccc2)cc1 225775723 FBIIAXDBESXRLH-LJQANCHMSA-N 401.506 5.550 0 40 HKAB Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3cccc(Br)c3)oc12 226286356 LWFKLQKZTNQCLI-UHFFFAOYSA-N 419.278 5.726 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(Cl)cc2Cl)cc1N1C[C@H](C)C[C@@H](C)C1 226330859 SLHOEBBYQQIAHJ-CHWSQXEVSA-N 406.357 5.619 0 40 HKAB Cc1cc(Br)ccc1-c1ccc(C(=O)Nc2cc(N)ccc2Cl)o1 226764002 GGDPGSYXMIWVFB-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCC[C@H](C)C4)cc3)CCCC2)cc1 260812523 FCOSGRDJCUTVMJ-QFIPXVFZSA-N 420.597 5.556 0 40 HKAB COc1ccc(Oc2ccc(NC(=O)c3ccc(-c4csc(C)n4)cc3)cc2)cc1 408620905 MUDRQJBGEBISQJ-UHFFFAOYSA-N 416.502 6.172 0 40 HKAB Cc1cccc(C)c1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2C)n1 408696400 AZSPNQIQIBKSQH-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COc1cc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)ccc1OC(C)C 408811412 LHFUUGUTXJBCKS-UHFFFAOYSA-N 417.938 5.207 0 40 HKAB Cc1cccc(COc2ccc(/C=C3\SC(=O)N(C)C3=O)cc2Br)c1 408816154 KRQKVMQTGMGIJF-YVLHZVERSA-N 418.312 5.003 0 40 HKAB C[C@H](SCc1ccccc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409026242 JQPGJYNAXFEPJX-FJDLLSKQSA-N 405.607 6.415 0 40 HKAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 409101088 PNJFAQDXLMPYKM-HTMJNSLASA-N 403.956 6.326 0 40 HKAB CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1 409213709 QKTCMUFCVAHMQZ-UHFFFAOYSA-N 422.598 5.292 0 40 HKAB FC(F)(F)c1nn2c(-c3ccccc3)cc(-c3ccccc3)nc2c1-c1ccccc1 409219090 IVRCTWBKXQQCCH-UHFFFAOYSA-N 415.418 6.749 0 40 HKAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409377518 HRGNSYGSKYCWRL-UHFFFAOYSA-N 422.500 5.471 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2ccccc2C)c1C 831561 XZJXTDKMMXBNRG-UHFFFAOYSA-N 422.506 5.046 0 40 HKAB O=C(c1cccc(F)c1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2)cs1 932789 JGSCGHMNEFFVTL-SFHVURJKSA-N 416.905 5.428 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc3scc(-c4ccc(Cl)cc4)n23)c1 937478 QBCQUFFUZYECRX-UHFFFAOYSA-N 414.943 5.150 0 40 HKAB CCOC(=O)c1c(C)n(Cc2ccco2)c2cc(-c3ccc(Cl)cc3)c(O)cc12 1405271 YTECTJXGHTZYLH-UHFFFAOYSA-N 409.869 5.794 0 40 HKAB COc1ccc(Oc2c(C)oc3cc(OCC(=O)c4ccccc4)ccc3c2=O)cc1 2096818 ATOCSXHXKDHDNT-UHFFFAOYSA-N 416.429 5.164 0 40 HKAB biogenic c1ccc2oc(SCc3ccc(CSc4nc5ccccc5o4)cc3)nc2c1 2322284 ADEFCKAVOMELMC-UHFFFAOYSA-N 404.516 6.554 0 40 HKAB O=C(/C=C/c1cccc2ccccc12)Nc1ncc(Cc2cccc(Cl)c2)s1 2669445 SEFJHUCHDRJRJG-VAWYXSNFSA-N 404.922 6.192 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Br)cc2Br)cc1 2747396 XGSQMNZWRQSYJO-BJMVGYQFSA-N 423.148 5.987 0 40 HKAB Cc1nn(-c2ccccc2)c2c1C1=C(C=Nc3ccccc3N1)[C@H](c1ccccc1)C2 3102241 UXCSUZHGYXTWFY-NRFANRHFSA-N 402.501 6.060 0 40 HKAB O=C(Nc1nc(COc2ccccc2)cs1)C1c2ccccc2Oc2ccccc21 3215855 WFEKNJYBOUTLIX-UHFFFAOYSA-N 414.486 5.598 0 40 HKAB O=C(CSc1nnc(-c2ccccc2F)o1)Nc1ccccc1Oc1ccccc1 3441358 OBXHPEXRXLXLAC-UHFFFAOYSA-N 421.453 5.399 0 40 HKAB c1cc(-c2cc(-c3nc4c5c6c(sc5ncn4n3)CCCCCC6)n[nH]2)cs1 4626247 IJSQSSDFUONNQZ-UHFFFAOYSA-N 406.540 5.117 0 40 HKAB CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2OC32CCCCC2)cc1 4715924 GKDYLZBHNPKFQU-JOCHJYFZSA-N 406.526 5.688 0 40 HKAB OC1(c2ccccc2C(c2ccccc2)c2ccccc2)c2ccccc2-c2ccccc21 4769009 OMNYPVHRRMVZQK-UHFFFAOYSA-N 424.543 7.131 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(Cl)c2Cl)N3)C1 4783886 CAFFSDQFPLKVRN-BTDLBPIBSA-N 409.382 6.635 0 40 HKAB COc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccncc2)cc1 5363968 VHUBLXYVYFQMFT-UHFFFAOYSA-N 408.914 5.284 0 40 HKAB COc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccccc2)cc1 6314307 IRBPQTQZNBUOMQ-UHFFFAOYSA-N 413.506 5.112 0 40 HKAB Cc1ccc2nc(SCc3csc(CC(=O)Nc4ccccc4C)n3)[nH]c2c1 6537132 MMAVBJUCVYLEOY-UHFFFAOYSA-N 408.552 5.110 0 40 HKAB C=Cc1ccc(COc2ccc(-c3ncncc3-c3ccccc3OC)c(O)c2)cc1 6719518 OXNSFYKBZHQCAX-UHFFFAOYSA-N 410.473 5.747 0 40 HKAB biogenic Cc1ccc(COc2ccc(/C=C3\N=C(c4ccc(C)c(Cl)c4)OC3=O)cc2)cc1 6841170 WUDZIXNXSWIBJI-QRVIBDJDSA-N 417.892 5.880 0 40 HKAB COC(=O)c1cccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 6914343 XZROPXXBSGNBOE-UHFFFAOYSA-N 411.910 5.671 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)ccc21 7504998 GSPYQMOQVMBIJB-QGZVFWFLSA-N 420.940 6.491 0 40 HKAB Cc1ccnn1-c1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 7948160 SYDHJHZFQKNYKC-OAQYLSRUSA-N 405.548 5.092 0 40 HKAB CC[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccc(Br)cc1 7987427 QYEVVUANKXOZRZ-GOSISDBHSA-N 415.356 5.383 0 40 HKAB CN(C)CCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 8373844 XDJNTIIZUQEDHW-UHFFFAOYSA-N 401.765 5.267 0 40 HKAB Cc1sc2nc(CN3CCCC3)nc(N(C)Cc3nc4ccccc4s3)c2c1C 9256031 YLCRBLLYLBGPJU-UHFFFAOYSA-N 423.611 5.150 0 40 HKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 9355157 BQMYWWGIZFXJQN-UHFFFAOYSA-N 420.295 7.077 0 40 HKAB COc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)c(OC)c1 9683304 CSXGTORLXRFRBU-OAQYLSRUSA-N 421.884 5.609 0 40 HKAB CN(C(=O)CSc1ncnc2sccc12)C(c1ccccc1)c1ccccc1 11305975 BTGHXDOAMBAWEF-UHFFFAOYSA-N 405.548 5.031 0 40 HKAB Cc1cc(C)c2c(NC(=O)C3CCCCC3)c(C(=O)N(C)c3ccccc3)sc2n1 12446486 FFWLNFQQCCOELA-UHFFFAOYSA-N 421.566 5.709 0 40 HKAB COc1ccccc1C(=O)CSc1nc2cc(Cl)ccc2n1Cc1ccccc1 12546519 WOMHXFHNYZWGBU-UHFFFAOYSA-N 422.937 5.722 0 40 HKAB Cc1noc(C)c1COc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1 12554934 OWDGVULYQGWGPS-UHFFFAOYSA-N 405.498 5.113 0 40 HKAB CCc1ccc(Cl)c(CC)c1NC(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2 12783636 RLAGWNXGIOVDKF-UHFFFAOYSA-N 416.993 5.126 0 40 HKAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 13710512 HTQRZIYXEZCNKP-OAHLLOKOSA-N 412.382 5.427 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1)c1ccccc1 13999520 DFGHWAOTEAEYTB-IBGZPJMESA-N 424.500 5.348 0 40 HKAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 14121467 HEBHQZQKIXEJRO-UHFFFAOYSA-N 424.570 5.040 0 40 HKAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1 14256569 ZDFNOELTPFMMEP-NSHDSACASA-N 402.741 5.417 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 14495459 QCDSDGJFRYEXIN-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4cccs4)cc3c2C)cc1OC 15729498 KVJWRDNFNMYUPE-UHFFFAOYSA-N 421.474 5.303 0 40 HKAB biogenic COc1ccc(CCn2c(C)c(C(C)=O)s/c2=N\c2cccc(C)c2C)cc1OC 16949850 CIWINFJFWNZAOL-IZHYLOQSSA-N 424.566 5.170 0 40 HKAB CC[C@H](c1ccc(F)cc1)N(C)C(=O)c1cc(-c2cnn(C)c2C)nc2ccccc12 19716478 MPMRVHQVRQMMMW-XMMPIXPASA-N 416.500 5.306 0 40 HKAB COc1ccccc1[C@H](C)NC(=O)CCc1ncc(-c2ccc(CC(C)C)cc2)o1 21894984 BXPGPBMZIINELX-SFHVURJKSA-N 406.526 5.359 0 40 HKAB Cc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cs2)cc1 27990448 PUPVEGLAKMZBSC-GOSISDBHSA-N 422.594 5.542 0 40 HKAB COc1ccc(-c2cc(C(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)no2)cc1 28286962 UVQGINGWYOXBGD-UHFFFAOYSA-N 422.868 5.439 0 40 HKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(I)cc1C 30752289 WCBGQAUZCQNTJB-QGZVFWFLSA-N 423.294 5.013 0 40 HKAB Cc1cccnc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 32089518 RIHMUBHOLMOOIQ-QFIPXVFZSA-N 417.553 5.214 0 40 HKAB COc1cc(/C=C/C(=O)N(c2ccccn2)[C@H](C)c2ccco2)ccc1OC(F)F 32735951 KQIJLLIKRAPFPD-SLZMIMFISA-N 414.408 5.092 0 40 HKAB CC1(C)COC(CCCCC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)OC1 43214510 VOOYYFLXXFPBNS-UHFFFAOYSA-N 420.471 6.515 0 40 HKAB Clc1cnc(Oc2ccccc2NCc2nc(-c3ccsc3)no2)c(Cl)c1 55867386 CZNISWGIYMPABZ-UHFFFAOYSA-N 419.293 5.904 0 40 HKAB CCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 59345950 KKBQNVZEFQTBIK-UHFFFAOYSA-N 411.354 5.005 0 40 HKAB CSc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1 67294621 HLAJRGPICQDMKA-RWEWTDSWSA-N 420.921 6.293 0 40 HKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1)C1CCCC1 72215551 ILGCBPMVGXTRJD-QHCPKHFHSA-N 421.585 6.103 0 40 HKAB CC(C)CN1CCCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CCCCC2)nc1 72215704 RNRWWRZIBNYKTO-JOCHJYFZSA-N 415.622 6.339 0 40 HKAB CC(C)CN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215765 XXJZEGKQCWFINV-QFIPXVFZSA-N 415.622 6.339 0 40 HKAB COc1ccc(Cl)cc1NC(=O)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200253 BGPUZWIWJWVPIL-IAGOWNOFSA-N 417.893 5.030 0 40 HKAB c1cnc(-c2nc(N[C@@H](c3nccs3)C3CC3)c3c4c(sc3n2)CCCC4)cn1 78903337 VMHZJBFWJVFGBG-QGZVFWFLSA-N 420.567 5.047 0 40 HKAB O=C(Nc1ccccc1Cl)Nc1ccccc1Cc1nc(-c2cccnc2)no1 96102975 KEGWJZCVPBARTJ-UHFFFAOYSA-N 405.845 5.020 0 40 HKAB CC(C)[C@H](NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1nc2ccccc2[nH]1 96232077 ZRTOXFSADKSCGQ-DEOSSOPVSA-N 421.504 5.300 0 40 HKAB Cc1ccccc1[C@H]1C2=C(O)c3ccccc3C2=Nc2nn(-c3ccccc3)c(O)c21 101642955 SCRQQRSKVQSOIV-FQEVSTJZSA-N 405.457 5.435 0 40 HKAB aggregator c1ccc([C@@H]2c3ccccc3-c3ccccc3C2(c2ccccc2)c2ccccc2)cc1 104378408 RIXMWRZWBKDTTF-WJOKGBTCSA-N 408.544 7.834 0 40 HKAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc3ccccc3c2)S1 222628540 MNZMNIMDYLRJHC-DPSWKAHMSA-N 410.546 5.615 0 40 HKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(C)c(Cl)c4)o3)N21 222716126 LPXUTMZINJLALU-KNXBSLHKSA-N 423.969 6.283 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1C(C)C 223294798 FDNIVKDQQDTGAC-QGZVFWFLSA-N 416.521 5.118 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1cccc2ccccc12 224300064 OEOYCGYLXGOQIA-UHFFFAOYSA-N 411.501 6.297 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 225720410 RUKVWYCPOQALAM-ZEQRLZLVSA-N 421.581 5.922 0 40 HKAB CC1CCN(C(=S)c2cc(Cl)ccc2OCc2c(F)cccc2Cl)CC1 408578841 ZQGGERCEVASDHR-UHFFFAOYSA-N 412.357 6.119 0 40 HKAB COc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1C 408629854 JCLCTHFPHQFZHK-UHFFFAOYSA-N 411.567 5.272 0 40 HKAB O=C(Oc1ccc2ccccc2c1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408657695 IWCLHYKEEBLAPS-HNNXBMFYSA-N 400.261 5.105 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cc(C)ccc3C)n2)cc1 408697998 KVGPQULRVNMJIW-UHFFFAOYSA-N 410.521 5.674 0 40 HKAB Clc1ccc(NCc2ccccc2OCc2ccc(Br)cc2)cc1 409181715 FHHUUAAHKYVOHA-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB COc1cc(CNc2ccccc2Cl)ccc1OS(=O)(=O)c1ccc(C)cc1 409184390 WPESEESHRDDLQG-UHFFFAOYSA-N 417.914 5.037 0 40 HKAB S=C(c1cn(Cc2ccc(Cl)cc2)c2ccccc12)N1CCc2ccccc2C1 409193973 JHBXHCLPWDJNLC-UHFFFAOYSA-N 416.977 6.077 0 40 HKAB CCCCCN1C(=O)S/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O 409199696 CRVHVCVRGBTTEY-ATVHPVEESA-N 409.429 6.192 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 409410878 RSPLNWPSGDYKIA-UHFFFAOYSA-N 422.550 5.227 0 40 HKAB CCOc1ccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OC 993892 SPBWZEIULKGNCK-OQLLNIDSSA-N 405.281 5.207 0 40 HKAB Cc1cccc(-c2cc3nc4c(c(NCc5cccc(C(F)(F)F)c5)n3n2)CCC4)c1 1340965 DPRSPJLPFUPAQR-UHFFFAOYSA-N 422.454 5.824 0 40 HKAB Cc1cccc2c1NC(C)(C)c1ss/c(=N\c3cc(Cl)ccc3Cl)c1-2 2053559 QUEGTEWGWSICCF-PYCFMQQDSA-N 407.391 6.985 0 40 HKAB c1ccc(-c2cc3c(n2C2CCCCC2)[C@H](c2ccccc2)Oc2ccccc2-3)cc1 2060378 NCTOQEYBJNJCTI-LJAQVGFWSA-N 405.541 7.809 0 40 HKAB CCCNC(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C(C)(C)C)C2 2182363 KOWIJGPAIIVUMZ-CYBMUJFWSA-N 404.601 5.353 0 40 HKAB Cc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccc(Cl)cc5)c(C)nn4c3C2)cc1 2203635 IYHIKRDVCMJNJP-SFHVURJKSA-N 401.897 5.579 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCc1ccccc1-3 2294409 KNCLPKJFIHQPMC-UHFFFAOYSA-N 410.608 6.231 0 40 HKAB CCCOc1ccc(CONC(=O)COc2ccc(Cl)cc2Cl)cc1Cl 2305029 LFMGGKRLMIGULI-UHFFFAOYSA-N 418.704 5.062 0 40 HKAB CCOc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1 2359595 ITNNADPRVNVOJZ-UHFFFAOYSA-N 409.795 5.169 0 40 HKAB biogenic CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 2372858 DGYUKDSGLVGPFP-BJKOFHAPSA-N 424.529 5.213 0 40 HKAB Cc1c(NC(=O)COc2ccc(C(C)C)cc2)cccc1-c1nc2ccccc2s1 2593732 KAGBTKDUHKRXSL-UHFFFAOYSA-N 416.546 6.413 0 40 HKAB Clc1ccc(SCc2cc(NCc3ccccc3)nc(-c3cccnc3)n2)cc1 3104485 AVMUZWAXZHCGKL-UHFFFAOYSA-N 418.953 6.096 0 40 HKAB CCOc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 3108179 CUXBUVJAYZHLRJ-UHFFFAOYSA-N 403.301 5.224 0 40 HKAB O=C(NCCSc1ccc(Br)cc1)c1ccc(Cl)cc1Cl 3132987 DLDAZRRMTLIJGN-UHFFFAOYSA-N 405.144 5.278 0 40 HKAB O=C(/C=C/c1ccco1)O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 3261333 BAQVXKLARCPWIC-NDDJGDGRSA-N 416.260 5.523 0 40 HKAB COc1ccc2nc(NC(=O)c3ccccc3OCc3ccccc3Cl)sc2c1 3278472 PBOVNZBYCLFRTA-UHFFFAOYSA-N 424.909 5.790 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(Cl)cc1)c1ccccc1 3390669 WUCWYDWIBIMPMY-NRFANRHFSA-N 409.869 5.276 0 40 HKAB CC(C)OC(=O)c1ccc(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1 3417680 URVYAVZYGWWSHR-UHFFFAOYSA-N 410.297 5.356 0 40 HKAB O=S(=O)(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1Cl 4836007 MZWYUNNGWCBUHG-UHFFFAOYSA-N 401.959 5.609 0 40 HKAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1 4848010 BBSPYSLELJHIPI-DEOSSOPVSA-N 418.562 5.124 0 40 HKAB Brc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)c1 4934995 BQACHTJVYRIJGM-XLIONFOSSA-N 411.324 5.753 0 40 HKAB COc1cccc(C(=O)N(Cc2cccnc2)c2nc3ccc(Cl)cc3s2)c1 5142038 IZULLQZZXLIUOC-UHFFFAOYSA-N 409.898 5.200 0 40 HKAB COc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)c(F)c2)c1 5156527 TWIFJXDMAOHZMO-JTHBVZDNSA-N 408.860 5.730 0 40 HKAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)n2C2CC2)cc1 5312907 ZFBDFFHTICKMPD-CQSZACIVSA-N 410.518 5.101 0 40 HKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 6170658 COGJEFJNNADOQB-UHFFFAOYSA-N 413.260 6.063 0 40 HKAB COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 6247242 PLIMDMIBDXYUHC-UHFFFAOYSA-N 409.294 5.386 0 40 HKAB CCc1c2c(cc3c1C[C@@]1(C3)Cc3cc4c(c(C(=O)OC)c3C1)CCCC4)CCCC2 6371682 BDFQTUYUSGKRDS-GDLZYMKVSA-N 414.589 5.677 0 40 HKAB O=C(Cc1ccc(Cl)cc1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 6669556 JKLZYIIZKGRIFN-UHFFFAOYSA-N 409.917 5.294 0 40 HKAB C[C@@H](NC(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)c1ccco1 7241984 BMFCGCHSSREICK-GFCCVEGCSA-N 415.565 5.429 0 40 HKAB CCC(=O)N1c2ccccc2[C@H](N(C(=O)Cc2cccs2)c2ccccc2)C[C@H]1C 8570013 XOWFNNZQWHRYMI-WZONZLPQSA-N 418.562 5.600 0 40 HKAB COC(=O)c1ccc(CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@H]2C)cc1 8887075 RBDPAUROVNOQKO-UZLBHIALSA-N 422.554 5.170 0 40 HKAB CC(C)(C)c1ccc(OCc2nc3ccccc3n2Cc2ccc3ccccc3c2)cc1 12401115 MESKMCKMWBIAIT-UHFFFAOYSA-N 420.556 7.114 0 40 HKAB CCCCc1noc([C@H](C)Sc2nnc(-c3cccc(C)c3)n2Cc2ccco2)n1 12922483 UQGFRUYFZRPZDV-INIZCTEOSA-N 423.542 5.474 0 40 HKAB CN(Cc1ccc(F)cc1)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1=S 13071944 QWHBZEOXZMOBHH-UHFFFAOYSA-N 422.504 5.438 0 40 HKAB O=C(O)Cc1sc(Nc2ccc(F)cc2)nc1-c1ccc(Oc2ccccc2)cc1 13425542 GFQJYXYFAJFJEB-UHFFFAOYSA-N 420.465 6.112 0 40 HKAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 13709852 INUSCPWBGGHFOD-ASXFNGKXSA-N 409.957 6.214 0 40 HKAB CCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccc(C(C)(C)C)cc1 13777278 YMXVTDIBOGMHGJ-UHFFFAOYSA-N 404.554 5.577 0 40 HKAB CCOC(=O)c1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 14291404 FGLRTESPVQSSNX-UHFFFAOYSA-N 404.249 5.682 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 17089705 HMXQMRJCYKQODQ-UHFFFAOYSA-N 413.732 5.898 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccccc1C(F)(F)F 18055572 RZUXSIDXSYVQKC-JQBYJRRVSA-N 419.402 5.102 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 20106784 UVBTZKVGINAXQH-NHCUHLMSSA-N 405.991 6.123 0 40 HKAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1C 20492501 QZEIFUKRNISPKV-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CC(C)c1ccc(NC(=O)c2cccnc2Nc2ccc(Cl)c(Cl)c2)cc1 22072993 JDZDRARKYQIZSR-UHFFFAOYSA-N 400.309 6.508 0 40 HKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc2sc3ccccc3c2s1 25275833 WZUKRHAOGKIHMS-UHFFFAOYSA-N 423.519 5.811 0 40 HKAB CCOc1ccc(C(=O)[C@@H](C)N(C2=NCCCCC2)c2ccc(OCC)cc2)cc1 27526916 HAXKSTZWDJSHDO-LJQANCHMSA-N 408.542 5.534 0 40 HKAB COc1ccccc1NC(=O)c1sc(COc2ccc(C(C)(C)C)cc2)nc1C 27912584 VNZDVZZOKNJCKS-UHFFFAOYSA-N 410.539 5.589 0 40 HKAB CCN(C(=O)COc1cccc(C)c1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27991081 HHBXMDMAVBWJLM-MHZLTWQESA-N 412.533 5.802 0 40 HKAB Cc1ccc(-c2nc(CCNC(=O)COc3cc(C)ccc3C(C)C)cs2)cc1 28288803 MBDOMDJGKHSGOS-UHFFFAOYSA-N 408.567 5.288 0 40 HKAB COc1ccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 28579237 SUSRFBSFPIMNMX-UHFFFAOYSA-N 422.333 5.398 0 40 HKAB C[C@H](Sc1ncnc2scc(-c3ccc(F)cc3)c12)c1nc(-c2ccco2)no1 29739190 YFAPFKZJGIVXNK-NSHDSACASA-N 424.482 5.994 0 40 HKAB Cc1c(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)sc2nc(C(F)(F)F)ccc12 29756869 AXOVREDFBQBLIB-UHFFFAOYSA-N 420.243 5.765 0 40 HKAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 30869797 ZKWBOOZREQPISO-AWEZNQCLSA-N 402.277 6.192 0 40 HKAB COc1cc2sc(NC(=O)COc3ccc(Cl)cc3Cl)nc2cc1Cl 32127430 VJBATAWDHLLMGG-UHFFFAOYSA-N 417.701 5.283 0 40 HKAB COc1ccc(-c2noc(-c3ccc(NC(=O)c4ccccc4Cl)cc3)n2)cc1 32623925 SLZCMAWMGHPKBB-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB S=C(c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)N1CCCC1 33551222 FOILEFCNKUVWML-UHFFFAOYSA-N 400.758 5.997 0 40 HKAB Cc1ccc(C2=NN3[C@H](c4cccc(Br)c4)Oc4ccccc4[C@H]3C2)cc1 36352214 KQOSQBNXTUJCOI-GGAORHGYSA-N 419.322 6.000 0 40 HKAB COC(=O)Cc1ccccc1-c1nc2cc(-c3ccccc3)cc(Br)c2o1 41127408 QFWIRNFUJDWBAV-UHFFFAOYSA-N 422.278 5.640 0 40 HKAB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(CN3CCC[C@H](C)C3)cc1)CC(C)(C)O2 44855277 QQZHQQHBXOESPU-WMZHIEFXSA-N 406.570 5.259 0 40 HKAB Clc1ccc(I)cc1-c1nc2c(Cl)cccc2s1 45920954 WIZHOMJIIJDFDF-UHFFFAOYSA-N 406.075 5.875 0 40 HKAB Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)n2)cc1 46012136 SQLXITLAYGBZEY-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CCOc1cc(CNc2ccc(Br)cc2)ccc1OCc1ccccc1 59056173 RGIKVNBORFBYFP-UHFFFAOYSA-N 412.327 6.039 0 40 HKAB CCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)cc1 67293175 WATQFGBPXQKITK-RWEWTDSWSA-N 422.868 5.240 0 40 HKAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(Br)cc1 72229869 YBCKYGLXRRLRPF-IBGZPJMESA-N 416.702 5.437 0 40 HKAB CC[C@@H](NC(=O)c1ccc(Cl)cc1)c1noc(-c2cccc(Br)c2)n1 84734907 ZWKSAVMKFNSCLC-OAHLLOKOSA-N 420.694 5.034 0 40 HKAB Cc1ccc(NC(=O)N2CCN([C@@H](c3ccc(C)cc3)c3ccccc3C)CC2)cc1 96182533 JMKSSIBGGHHOKK-SANMLTNESA-N 413.565 5.551 0 40 HKAB CCOc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccccc4)[C@H]2C3(Cl)Cl)cc1 100464108 CTUJYKBLFJUAQV-DNVJHFABSA-N 411.328 6.309 0 40 HKAB O=c1[nH]c2c(s1)[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100922123 VTAYVTORGQTMSX-SYGLAOGMSA-N 421.587 5.668 0 40 HKAB CC1(C)CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H](c3cccs3)C2=C(O)C1 104157345 YOTQXNHAUMKZAI-SFHVURJKSA-N 420.456 6.103 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC 106707116 APERMTNZOQYEDM-JHDSZEHQSA-N 411.523 5.417 0 40 HKAB Cc1ccn2cc(-c3cccc(NC(=O)[C@H](c4ccc(Cl)cc4)N(C)C)c3)nc2c1 141548592 FYLSLPAMNUBBQY-QHCPKHFHSA-N 418.928 5.205 0 40 HKAB CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)o2)cc1 222630622 FJZZEVPHVHNTLL-RXYZOABWSA-N 405.523 5.330 0 40 HKAB CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 222847265 XWEXBAGKYPTHCA-YADHBBJMSA-N 407.539 5.121 0 40 HKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 222981364 DFQWRJXYXCPCND-SFTDATJTSA-N 411.958 5.768 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)cc1 224197218 XYWCLDZACZXHSH-LOSJGSFVSA-N 424.573 5.666 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1C 224263774 FVRXMVSSHIEHAR-YADHBBJMSA-N 404.583 5.432 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1cc(C)cc(C)c1C 224275710 VBLDWPXHLBANDX-UHFFFAOYSA-N 403.522 6.069 0 40 HKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 224415799 NNGIXXMBBWYKEL-FCHUYYIVSA-N 406.530 5.314 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccc(C)c(C)c1 224619406 YANKVVZDGWBAMB-UHFFFAOYSA-N 403.522 6.150 0 40 HKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 225069382 UNOICXPJQVSFEA-VWLOTQADSA-N 420.597 5.184 0 40 HKAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](CC)C(=O)NC1CCCCC1 225274697 HLSWAVYDMCROQG-IBGZPJMESA-N 413.389 5.350 0 40 HKAB S=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1ccc(Cl)cc1 225465601 WTOBEQHAHWHKFH-UHFFFAOYSA-N 419.402 7.095 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225501084 BUUTZXUALNFCLJ-QHCPKHFHSA-N 412.599 6.090 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3N)o2)c(Br)c1 226348475 GBIOAAFYYZXFOV-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB CCOc1cc(/C=C/C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)ccc1OC 408602932 PBPBTLQXUGJWIL-LZYBPNLTSA-N 403.478 5.847 0 40 HKAB COc1cc(C(=O)Nc2ccc(Br)cc2C(C)C)cc(Cl)c1OC 408616854 AEASKGAQFCICEI-UHFFFAOYSA-N 412.711 5.495 0 40 HKAB Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)N3CCCCCC3)c2c1 408682743 LLEILOAHHZCGOC-UHFFFAOYSA-N 423.354 5.989 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccc(C)c(C)c2)cc1 408694850 MTVUMJBNQRLIIS-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2ccc(C)cc2)cc1 408698246 OEACZZOTPBNENU-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C1OC(Cc2ccccc2)=N/C1=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 408840039 XBPXEOOFTYDIKA-HMMYKYKNSA-N 417.848 5.098 0 40 HKAB Clc1ccc(COc2ccccc2CNc2ccc(Oc3ccccc3)cc2)cc1 409112475 GRSGYVYHIHEKFY-UHFFFAOYSA-N 415.920 7.323 0 40 HKAB O=C1S[C@@H](Cc2ccc(OCc3ccccc3F)cc2)C(=O)N1Cc1ccccc1 409141894 CCBDURQVHSYQPF-QFIPXVFZSA-N 421.493 5.211 0 40 HKAB Cc1cccc(OCc2ccc(C(=O)OCc3ccc(Cl)cc3Cl)cc2)c1 409175912 DPUUHSHGUCTAIG-UHFFFAOYSA-N 401.289 6.238 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c(C)c1CNc1ccc2c(c1)CCCC(=O)N2 532891765 XJUGXYKRHUPVRO-UHFFFAOYSA-N 408.933 5.089 0 40 HKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 664128 PKEVATKGNHWNML-UHFFFAOYSA-N 414.534 5.228 0 40 HKAB Cc1ccc(-c2csc(N(Cc3ccccc3)C(=O)c3ccccc3F)n2)cc1 932672 BGBQZPAOJCBWMD-UHFFFAOYSA-N 402.494 6.105 0 40 HKAB CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2F)c2ccccc2)C[C@H]1C 974769 OGNCBBCPTNZPKR-OSPHWJPCSA-N 402.469 5.359 0 40 HKAB CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2C)cc1 1063505 RDUJUPNTEPDOHH-AREMUKBSSA-N 410.517 5.663 0 40 HKAB biogenic Cc1ccc(C)c2nc(Cl)c(CN(Cc3cccs3)C(=O)c3cnccn3)cc12 1367759 JOLKHRSMRADNFP-UHFFFAOYSA-N 422.941 5.199 0 40 HKAB C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)n1c(C(F)(F)F)nc2ccccc21 1399302 ADDBGKDAWPWZJL-JTQLQIEISA-N 401.310 5.274 0 40 HKAB Cc1ccccc1-n1c(SC(C)C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 1832773 JULFXHZNNXRJHY-UHFFFAOYSA-N 416.590 6.076 0 40 HKAB biogenic O=C(c1ccc(Br)cc1)c1ccccc1Cc1cccc2ccccc12 1870704 ISRMIKDNYZEPGN-UHFFFAOYSA-N 401.303 6.424 0 40 HKAB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)c1C 2074130 FIJFQNFVKJOMBY-UHFFFAOYSA-N 417.509 5.784 0 40 HKAB O=S(=O)(Oc1ccc(C2SCCS2)cc1)c1cc(Cl)ccc1Cl 2093309 GNRXEVQSWPEPII-UHFFFAOYSA-N 407.365 5.240 0 40 HKAB O=C(Cc1c(Cl)cccc1Cl)Nc1nnc(SCc2ccccc2)s1 2629189 OEUKOTXEFZXUHH-UHFFFAOYSA-N 410.351 5.318 0 40 HKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2)N1CCc1ccccc1 2703566 NBVMRCBOWIRXRZ-QFIPXVFZSA-N 415.876 5.234 0 40 HKAB CC1(C)[C@@H]2CC[C@@]1(C)c1c2c(C(=O)Nc2ccc3ccccc3c2)nn1-c1ccccc1 3166489 GKLCNHNCVRIBJJ-DFHRPNOPSA-N 421.544 6.453 0 40 HKAB CC(C)N1C=C(C(C)(C)C)O[C@]12c1ccccc1-c1n(C(C)C)cc(C(C)(C)C)[n+]12 3218831 PQPYVVBMHQOHON-AREMUKBSSA-N 408.610 5.921 0 40 HKAB Cc1nn(-c2ccccc2)c(Nc2nc3ccccc3nc2Cl)c1Br 3309818 PGRADFWLXGFBPT-UHFFFAOYSA-N 414.694 5.283 0 40 HKAB Cc1cc(C)c(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCCC3)cc1C 3328827 SVEOCPPQBSCFJL-UHFFFAOYSA-N 401.506 5.469 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OC[C@@H]3CC3(Cl)Cl)cc12 3353924 DEYOCFDUNPHQRP-JTQLQIEISA-N 415.729 5.399 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](c1ccccc1)N1CCCCCC1 3355220 QVXLPKPVPOOQFG-LJQANCHMSA-N 410.867 5.915 0 40 HKAB COc1cccc(NC(=O)[C@@H](OC(=O)c2c(F)cccc2Cl)c2ccccc2)c1 3382545 SCBYQMQWDQFZGN-FQEVSTJZSA-N 413.832 5.025 0 40 HKAB Fc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@@H](c3ccc(F)cc3)C2)cc1 4199449 IEQQUVNABVPZCJ-HXUWFJFHSA-N 403.259 6.627 0 40 HKAB COc1cc(CNCc2ccncc2)ccc1OCc1ccc(Cl)cc1Cl 4413563 UICAEHHUHBHFQQ-UHFFFAOYSA-N 403.309 5.266 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1cccc(F)c1 4675601 QUVHZDSLTVGIGJ-UHFFFAOYSA-N 411.230 5.649 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c(Cl)c1 4723337 IZWOWVBQLVEGMI-UHFFFAOYSA-N 407.244 5.447 0 40 HKAB Fc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1-c1ccccc1 4954132 WFGIIFHZJZQJDV-UHFFFAOYSA-N 409.917 5.943 0 40 HKAB Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4)cc2-3)OCCO5)cc1 5028584 JKDXDBRRKPTVHW-UHFFFAOYSA-N 407.473 5.331 0 40 HKAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1ccc2ccccc2c1 5136290 HWVYOOPWGYGIFJ-UHFFFAOYSA-N 412.514 5.747 0 40 HKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C1=O 6657282 IBNIOIBUOXLBKZ-PXLXIMEGSA-N 403.503 5.865 0 40 HKAB CCCCCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)c1 6752954 PVMZJQQMMJWTDC-XMMPIXPASA-N 419.525 5.307 0 40 HKAB CCOc1ccc(N[C@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)cc1 8594426 YSCQNIWUMXQCMS-OAQYLSRUSA-N 423.875 6.129 0 40 HKAB COc1ccc2nc(NC(=O)CCc3ncc(-c4ccccc4Cl)o3)sc2c1 11807107 YHNYOXANDLCCBW-UHFFFAOYSA-N 413.886 5.185 0 40 HKAB CCc1ccc(N[C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(Cl)cc2)cc1 12413400 XPSOMYFPYPAGFC-VWLOTQADSA-N 419.996 7.626 0 40 HKAB CC(C)[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc2c(c1)OCCO2 13017424 NICQDWNUUOJVOJ-IBGZPJMESA-N 419.905 5.592 0 40 HKAB Cc1cc(C)cc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1 13040070 HFWHUVMTVGQWAB-UHFFFAOYSA-N 411.855 5.226 0 40 HKAB Cc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 13757636 SZFFOXDITBYPHE-DENIHFKCSA-N 423.310 5.901 0 40 HKAB CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 20112026 RDCCAMUVHJJGOI-UHFFFAOYSA-N 414.505 5.068 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CCCOc3ccccc3)c2)cc1 22513161 DGPHYJHTJOUGLE-UHFFFAOYSA-N 415.533 6.013 0 40 HKAB COC(=O)c1ccc(C)c(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c1 24830271 KCWOUTGLFAQWED-UHFFFAOYSA-N 418.474 5.417 0 40 HKAB Cc1ccc(OCc2nc(C)c(C(=O)N3CCC[C@H]3Cc3ccccc3)s2)cc1 25519343 ORDYLQWJGHEOMP-FQEVSTJZSA-N 406.551 5.186 0 40 HKAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCOc1ccc(Cl)c(C)c1 31903356 XXUILVUGIAOYFX-NRFANRHFSA-N 411.933 5.151 0 40 HKAB Cc1cc(C(=O)Nc2nc3c(C)cccc3s2)c2c(C)nn(-c3ccccc3)c2n1 36611712 QPXJSFFYTOJXCK-UHFFFAOYSA-N 413.506 5.208 0 40 HKAB COc1ccc(-c2csc(C(=O)Nc3cccc(OC)c3)c2-n2cccc2)cc1 38654666 RZTCQHDNVBADLW-UHFFFAOYSA-N 404.491 5.475 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 38849520 SODGIAMUGNWQCA-UHFFFAOYSA-N 421.766 5.262 0 40 HKAB O=C(CCSCc1ccccn1)Nc1ncc(Cc2ccc(Cl)cc2)s1 40152585 LFLJASDVKYYIKA-UHFFFAOYSA-N 403.960 5.044 0 40 HKAB Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCCc2ccccc2)CC1=O 40251451 KXUOTOAYNXRJCW-QFIPXVFZSA-N 409.533 5.498 0 40 HKAB CCC(=O)Nc1ccc(NC(=O)c2cccnc2SCc2ccc(F)cc2)cc1 44790987 MHCATXQKISUURH-UHFFFAOYSA-N 409.486 5.114 0 40 HKAB O=C(NC1CCCCCCC1)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 64872371 CYJVZCVOWDZNSU-UHFFFAOYSA-N 412.986 6.702 0 40 HKAB O=C(C=C1CCCCC1)N(Cc1ccccn1)Cc1ccc(Br)cc1F 65936233 WVVIIKIBFWZTKD-UHFFFAOYSA-N 417.322 5.403 0 40 HKAB CCOc1ccccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 67294473 WNYPZDVBUCZLHR-PNHLSOANSA-N 418.880 5.970 0 40 HKAB CCCCN(CCCC)C[C@@H](O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1C2=O 77287055 DHSOIDFQNPRZLM-OAQYLSRUSA-N 420.380 6.140 0 40 HKAB in-vitro CC(C)=CCC/C(C)=C\CC[C@H](C)/C=C/C/C=C(\C)CC/C=C(\C)CCC=C(C)C 79669979 CVBNQINTXMPDEE-XVZCUCFXSA-N 410.730 10.461 0 40 HKAB O=C(CCn1ccc2ccc(Cl)cc21)NCCc1c[nH]c2ccc(Cl)cc12 95477134 YVVXYAZVAJZKSD-UHFFFAOYSA-N 400.309 5.178 0 40 HKAB C[C@@]1(C(=O)c2ccccc2)[C@H]2c3c(ccc4ccccc34)OC(=O)[C@@]21C(=O)c1ccco1 100150345 GSVOTNZTSXDSKF-ICTDUYRTSA-N 422.436 5.208 0 40 HKAB C1=C(c2ccc(-c3ccccc3)cc2)Nc2nc3ccccc3n2[C@H]1c1cccs1 100955692 XLMIWIFRJBMEJX-XMMPIXPASA-N 405.526 6.821 0 40 HKAB C[C@@H](NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)[C@H]1C[C@H]2CC[C@H]1C2 102151117 JJJIXHXDPRNWPV-BZDHPDOMSA-N 413.602 5.379 0 40 HKAB CCc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc1 106725736 UKVGRYGTWGZACL-BOPFTXTBSA-N 402.313 5.248 0 40 HKAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc(OCCSc2ccccc2)cc1 219265200 XEGZJZKRLSXUCV-HXUWFJFHSA-N 421.562 5.363 0 40 HKAB CCOC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 219761111 ZXRSDISLNUEKEQ-UHFFFAOYSA-N 409.869 5.348 0 40 HKAB Cc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222741130 KKSDOKKWIPACMY-NRFANRHFSA-N 422.613 5.383 0 40 HKAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3)c2)c1 224195186 RIQGDLXPCKYVHH-UHFFFAOYSA-N 421.493 5.161 0 40 HKAB Cc1ccc2[nH]c(-c3ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cc3)nc2c1 225263273 UMNHKPQTYIECAA-UHFFFAOYSA-N 409.533 5.633 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1)c1ccc(OC)c(C)c1 225433621 YOTICAJMPCNTMH-GRBCXPRBSA-N 415.533 5.820 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225704056 RRWVYQLWGYZGGN-VWLOTQADSA-N 418.622 5.646 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)c2ccccc12 225919882 VXBYTWHGYIDNMS-UHFFFAOYSA-N 423.484 5.457 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2ccc(F)cc2)c1 408697005 DNVGZEHSRQXUDZ-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3F)n2C)cc1 409204509 HNYIGXDOBRFGSQ-LCUIJRPUSA-N 402.494 5.609 0 40 HKAB CCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C1=O 409230697 FPOCLAHXDMWFIL-FYJGNVAPSA-N 408.498 5.583 0 40 HKAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(C(C)C)cc2)c1 724765 LZUQNNWUDZRJPF-UHFFFAOYSA-N 417.962 5.329 0 40 HKAB CC(C)(C)c1ccc(C(=O)N(Cc2ccco2)c2nc(-c3ccccc3)cs2)cc1 882150 VDTUMJSARSQOTH-UHFFFAOYSA-N 416.546 6.548 0 40 HKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3cccs3)cc12 1366475 OLNYWXCZDKIQTL-UHFFFAOYSA-N 402.519 5.049 0 40 HKAB C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)c4ccc(F)cc4)c23)C1 1377287 RIXAXXHQURXWJF-GFCCVEGCSA-N 412.555 5.808 0 40 HKAB O=c1c(Oc2ccccc2Br)coc2cc(OCc3ccccc3)ccc12 1780028 UTGGLSDNFGYXFN-UHFFFAOYSA-N 423.262 5.927 0 40 HKAB biogenic CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc(Nc2ccccc2)cc1 1913384 VXPQVEVSWHPWAX-UHFFFAOYSA-N 401.441 6.038 0 40 HKAB O=C(NCc1ccc(Cl)cc1)c1cccc(COc2ccc3ccccc3c2)c1 2087410 QNGLMOONLOYIKL-UHFFFAOYSA-N 401.893 6.002 0 40 HKAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3cccc(C(F)(F)F)c3)ccc12 2123792 SCUNPBOMTTZWQQ-UHFFFAOYSA-N 420.383 5.025 0 40 HKAB biogenic Cc1ccccc1NC(=O)N(CCO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C1CCCCC1 2223356 VUGPATWMNVUEQK-WIOYSNFSSA-N 412.618 6.393 0 40 HKAB O=C(NC(=S)Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccc2ccccc12 2224264 REWJEGXDHCJVRZ-UHFFFAOYSA-N 424.485 5.170 0 40 HKAB CCCCCCNC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 2262489 FNYADLSLTWYGNM-UHFFFAOYSA-N 421.932 5.119 0 40 HKAB O=C(CSc1nnc(SCc2ccccc2)s1)Nc1ccc(Cl)cc1 2366993 LERJQCNEFBDVGT-UHFFFAOYSA-N 407.973 5.215 0 40 HKAB CCCCn1nc(NC(=O)c2ccccc2Br)c2cc3ccccc3nc21 2372196 JGSFQAZOFCKVFK-UHFFFAOYSA-N 423.314 5.399 0 40 HKAB COc1ccc(N2C(=O)[C@@H](c3cccc4ccccc34)[C@H]2c2ccc3c(c2)OCO3)cc1 2582126 BGYOKAVQFGKYKZ-IZZNHLLZSA-N 423.468 5.449 0 40 HKAB COc1ccc(CCNC(=O)c2cccc(COc3ccc(C(C)C)cc3)c2)cc1 2769427 ARUNBIFFUJWQMZ-UHFFFAOYSA-N 403.522 5.370 0 40 HKAB Cc1ccc(NC(=O)[C@H](Sc2ncnc3ccccc23)c2ccccc2)cc1Cl 3295670 XXVVSZUSSLXHFW-OAQYLSRUSA-N 419.937 6.064 0 40 HKAB CCCCc1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)c1ccccc1n2CC 3336072 PPXQLPZCLIANCP-UHFFFAOYSA-N 424.548 6.145 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2ccccc2)n1C 3413410 AGZASHUEJYZLHO-UHFFFAOYSA-N 408.571 5.460 0 40 HKAB CC(C)(C)c1ccc(-c2csc(NC(=O)/C=C/c3cccs3)c2C(=O)O)cc1 3526105 GIEPZMZWBRLWDL-ZHACJKMWSA-N 411.548 6.124 0 40 HKAB Cc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)cc1 4059430 RSGUMRFHGJPQEB-FQEVSTJZSA-N 416.377 5.905 0 40 HKAB CC[C@H](C)Oc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 4109854 YSQQOAODVBWKPF-INIZCTEOSA-N 420.475 6.125 0 40 HKAB Cc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2cc(F)c(F)cc23)cc1 4970092 LOECBVWNBNINNS-UHFFFAOYSA-N 405.835 6.481 0 40 HKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3Cl)CC2=O)c1 5026561 ZQYWBMUUXKKIAS-LJQANCHMSA-N 415.924 5.567 0 40 HKAB CCN(CC)c1ccc2c(c1)OC(=O)[C@H]1[C@@H](c3ccccc3)[C@@H](/C=C/c3ccccc3)[C@H]21 5247183 RKLFVJNLWODOCW-CMAYOIOXSA-N 423.556 6.279 0 40 HKAB Cc1ccc(C)c(COc2ccc(-c3ncncc3-c3ccc(Cl)cc3)c(O)c2)c1 5451007 JIFMYBRKOOJMBO-UHFFFAOYSA-N 416.908 6.365 0 40 HKAB biogenic Nc1nc(=S)[nH]c2sc3c(c12)C[C@@H](c1ccccc1)S[C@@H]3c1ccccc1 5650113 NYQMACXJRIQVAL-DOTOQJQBSA-N 407.589 6.056 0 40 HKAB CN1/C(=C\C=C2\N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)C(C)(C)c2ccccc21 5692137 QFFYRJSOSMENFO-IQRGINFLSA-N 402.538 5.354 0 40 HKAB CC[C@@H]1CSC(Nc2ccc(-c3cc(-c4ccccc4)c4ccccc4n3)cc2)=N1 5701675 IMGOBPRWCTWDJB-HXUWFJFHSA-N 409.558 6.862 0 40 HKAB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1cccc2ccccc12 5705000 FXKQESBVQZQRHQ-UHFFFAOYSA-N 414.464 7.054 0 40 HKAB O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1ccc(F)cc1 5738428 MJZBKBHOGPSBRI-UHFFFAOYSA-N 415.493 5.681 0 40 HKAB COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 5901569 ZKRJUJHCXGYXSH-UHFFFAOYSA-N 415.518 5.483 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)cc1 6024022 GVKLDCDOGHPZOG-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OC(=O)Cc3c(Cl)cccc3Cl)c2n1 6187144 RMDKAPYPOYGIEQ-UHFFFAOYSA-N 415.103 6.305 0 40 HKAB O=C(Nc1ccccc1Cc1ccccc1)c1c(-n2cccc2)sc2c1CCCC2 6541799 CMOZIYWSAQHSRK-UHFFFAOYSA-N 412.558 6.261 0 40 HKAB COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c(OC)c1 7807789 CQDKUXUSAFQUJO-UHFFFAOYSA-N 400.434 5.278 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)cc2)cc1 7882539 OJTGQSKKOLAESB-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB O=C(/C=C/c1ccc2ccccc2n1)N1CCc2sccc2[C@@H]1c1cccs1 8162095 FKBSFUXMQVJNEI-JJNABOQBSA-N 402.544 5.545 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OC 8163800 OPKFOOZJAQJUNT-UKTHLTGXSA-N 409.869 5.801 0 40 HKAB CCc1ccc(-c2nc(CN(C)CC(=O)Nc3c(C)cc(C)cc3C)cs2)cc1 8214018 NFFLWLZBIQQXOI-UHFFFAOYSA-N 407.583 5.368 0 40 HKAB Cc1occc1-c1nnc(SCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)o1 8312635 SHRUFIVIPCXRGT-OAHLLOKOSA-N 419.506 5.275 0 40 HKAB COc1cc(Cl)c(C)cc1NC(=O)CCc1c(C)nc2c(cnn2C(C)C)c1C 8938208 MBDYNKNMPGLTQJ-UHFFFAOYSA-N 414.937 5.171 0 40 HKAB CC(C)=CCC/C(C)=C\COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C 12660407 YBYOVABCHBEJMD-SILNSSARSA-N 416.561 7.072 0 40 HKAB biogenic CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(-c1ccccc1)nn2-c1ccccc1 13518279 QZDRVVKJGIFKFJ-NRFANRHFSA-N 409.489 5.412 0 40 HKAB O=c1[nH]c(SC[C@@H]2CC2(Cl)Cl)nc2scc(-c3ccc(F)cc3)c12 14854092 SMOJEHLZGOPQKV-VIFPVBQESA-N 401.315 5.077 0 40 HKAB COc1c(F)c(F)c(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c(F)c1F 17090239 DQQPLLIJQPHBRI-UHFFFAOYSA-N 415.346 5.047 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)c1 17092586 SBEOZTLOMPDIFY-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC[C@@H](c2nc3ccccc3n2C)C1 19718677 WKFVGBGBSGKATB-MRXNPFEDSA-N 418.928 5.103 0 40 HKAB C[C@H]1CC(=O)c2c(Nc3ccc(Cl)cc3)nn(-c3nc4ccccc4s3)c2C1 19817237 SPAJEYFBNKHUAB-GFCCVEGCSA-N 408.914 5.644 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20144761 OZWSXRUHOXKVCS-UHFFFAOYSA-N 420.292 5.542 0 40 HKAB CC(C)[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1)c1cccs1 21494759 SPGNUEITWKUQGI-WMZHIEFXSA-N 420.578 5.267 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc(C)c3)c2)cc1 22514053 YOGGYXGYNKMZAL-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB C[C@@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc12)C(=O)c1c[nH]c2ccccc12 24159872 AFODHTLWCHDYRP-MRXNPFEDSA-N 421.456 5.206 0 40 HKAB CCCOc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCC2)cc1 27663734 CKMKOCYCVCXUHH-QFIPXVFZSA-N 400.950 5.086 0 40 HKAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccccc1SC[C@@H]1CCCO1 28689452 YYMRPEPBQUSIOM-NRFANRHFSA-N 404.535 5.954 0 40 HKAB Clc1ccc2sc(SC[C@@H]3CSc4nnc(-c5cccnc5)n43)nc2c1 30533270 HOZXSKVQVBGSPX-LBPRGKRZSA-N 417.972 5.042 0 40 HKAB COc1cc(C(=O)Nc2c(Cl)ccc3scnc23)cc(Cl)c1OC(C)C 32915709 IGRDZEJELCSNDP-UHFFFAOYSA-N 411.310 5.651 0 40 HKAB CC(C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(Cl)s3)nc21 36617084 LNKZUVHYMDELEG-UHFFFAOYSA-N 405.854 5.436 0 40 HKAB CCc1cc(C(=O)N(CC)c2ccccc2)c2c(C3CC3)nn(-c3ccccc3)c2n1 36621702 NZFRDQYYQFGFTL-UHFFFAOYSA-N 410.521 5.527 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 37868531 NEVNWXYRROTYDV-INIZCTEOSA-N 401.466 5.421 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 38834398 QPKWYFXYVRRURX-FQEVSTJZSA-N 420.940 5.983 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 38860749 HCPZABJXATXVOG-HXUWFJFHSA-N 420.940 5.983 0 40 HKAB Cc1ccc2c(Nc3ccc(Oc4ccccc4)cc3)c(C(=O)N3CCCC3)cnc2n1 49004577 LWCKEEPVWZXFPD-UHFFFAOYSA-N 424.504 5.710 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C)cc1OC 61237177 LLDKOALXASQGKL-UHFFFAOYSA-N 423.321 5.695 0 40 HKAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 72353862 GNINAZYNIIWYND-HXUWFJFHSA-N 405.929 5.049 0 40 HKAB Cc1nc(-c2c[nH]c(C(=O)N[C@@H](c3ccc(Cl)cc3)c3ccsc3)c2)cs1 84274927 QYWAVIVWDIDQAW-IBGZPJMESA-N 413.955 5.681 0 40 HKAB O=C(C1CCCCC1)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@H]1c1cccs1 84436811 RERCCWDBYQQMRQ-GVMJGPFHSA-N 410.608 6.513 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)N[C@@H]1CCSc2c(F)cccc21 84667866 LXJRKJAKZOCKCU-SWLSCSKDSA-N 401.532 5.375 0 40 HKAB O=S(=O)(Oc1c(Cl)cc(Cl)c2cccnc12)c1ccc(Cl)cc1Cl 96305705 TVMPPVRGRMTBJE-UHFFFAOYSA-N 423.104 5.616 0 40 HKAB CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)c1ccc(OCc3ccccc3)cc1O2 96341530 YDHZAYRHECTCED-UHFFFAOYSA-N 423.509 5.001 0 40 HKAB O=C(Cn1c(-c2ccc(Cl)cc2)csc1=O)Nc1ccc(Cl)cc1Cl 97105225 ISEFRABLLAVGBB-UHFFFAOYSA-N 413.713 5.176 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@H](c4ccc(F)cc4)Oc4ccc(Cl)cc4[C@H]3C2)c1 102767398 OTTUUZMYIOWXNH-VWNXMTODSA-N 406.888 6.338 0 40 HKAB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OCc1ccc(Cl)c(Cl)c1 113834004 PDMVTKYKMNGLCB-RQZCQDPDSA-N 424.305 5.295 0 40 HKAB Cc1c([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n(-c2ccccc2)c1C 222854531 VSMVKGVIPWHDOQ-XZOQPEGZSA-N 404.583 5.178 0 40 HKAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1cc(C)cc(C)c1 224199931 WVQMTFQFNZVFAM-OAQYLSRUSA-N 417.549 5.642 0 40 HKAB CCCOCc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OCC 224706719 NULDIWGOGLOLJT-UHFFFAOYSA-N 415.839 5.936 0 40 HKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 225128027 UXJOPUJHVWHTMO-RUZDIDTESA-N 422.613 5.385 0 40 HKAB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)cc1C(=O)OC 225844486 KKDDDXXEIXYEEK-UHFFFAOYSA-N 421.578 5.458 0 40 HKAB COc1cccc(-c2cccc(CC3(C(=O)NCCC4CCCC4)CCOCC3)c2)c1 257260730 LECCGNVLGZOIFA-UHFFFAOYSA-N 421.581 5.398 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](C(=O)O)CC[C@@H]4[C@H]3CC[C@@]12C 263606769 RGDMWGKNYCFTOQ-JYQNWREZSA-N 400.647 7.339 0 40 HKAB COc1cc(C(=S)NCc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 408571235 AMXJNRLFYBMHQT-UHFFFAOYSA-N 415.917 5.532 0 40 HKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)NC(=S)N1 408606119 OHKXTUNTZLSFQH-FQEVSTJZSA-N 423.925 5.032 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4c(C)cccc4C)C3)cc2)cc1 408642044 NGVQMGCGCYIDDN-FQEVSTJZSA-N 414.505 5.396 0 40 HKAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1=O 408642089 NSQIECXHMUQMIV-OAHLLOKOSA-N 405.325 5.110 0 40 HKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C)cc2C)cc1 408679932 WWSWHOPUJLSZDS-UHFFFAOYSA-N 412.489 5.443 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccccc2)c1C 408696552 AOFKCLKKPZKRRB-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2cc(C)ccc2C)cc1 408699154 RPRVAYRFEUMBGO-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB CC(C)(C)CC(C)(C)NC(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408976388 FMTKLDHDDOFEEF-UHFFFAOYSA-N 415.541 5.565 0 40 HKAB COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 409108297 ZQOLMJFNPZIZGV-UHFFFAOYSA-N 421.953 5.812 0 40 HKAB Cc1ccc(COc2ccc(CNc3cc(C)ccc3C)cc2Br)cc1 409109407 DEJPOILQQRHLPA-UHFFFAOYSA-N 410.355 6.565 0 40 HKAB Cc1c(Cl)cccc1NCc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 409119047 VOZYBBHHRYOLGP-UHFFFAOYSA-N 424.730 7.285 0 40 HKAB O=C1N/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1Cc1ccccc1 409201157 VYVVSKQZTPTLJE-WOJGMQOQSA-N 413.260 5.346 0 40 HKAB CC(C)c1ccc(CN2CCC[C@@]3(CCC(=O)N3Cc3ccc(F)cc3)CC2)cc1 585100096 FSMUSEATWBGJPP-AREMUKBSSA-N 408.561 5.496 0 40 HKAB CC(C)(C)c1ccc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1 940538 VGDOKKSRWSNIDW-UHFFFAOYSA-N 420.486 6.164 0 40 HKAB CCN(CC)C(=S)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 1093705 KKLSAFBZIHBHTI-UHFFFAOYSA-N 424.620 6.125 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCC3)cc2c1 1327102 SNERZRZOVBVPTI-UHFFFAOYSA-N 423.944 5.721 0 40 HKAB Nc1c(-c2ccccc2)cnn1-c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 1393413 PAKOFOBHLPBQBE-UHFFFAOYSA-N 423.320 5.102 0 40 HKAB CC(C)(C)c1cc(-c2nnc(-c3cccc(Br)c3)o2)cc(C(C)(C)C)c1 1838566 LTYBYYPDTFVYBK-UHFFFAOYSA-N 413.359 6.761 0 40 HKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccccc2)cc1C 2128589 KMCGQMLWRITRQJ-UHFFFAOYSA-N 415.562 5.646 0 40 HKAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCc3c(F)cccc3Cl)ccc12 2270171 BQFFAVZBEXTDEN-UHFFFAOYSA-N 408.856 6.064 0 40 HKAB CC(=O)c1c(-c2ccccc2)c2c3n(c(-c4ccc(Cl)c(Cl)c4)cn13)CCCC2 2333607 PWPZOQKMJYMFCO-UHFFFAOYSA-N 423.343 6.921 0 40 HKAB CCCCc1ccc(-n2c(N)c(C(=O)OCCC)c3nc4ccccc4nc32)cc1 2435838 WEOPUBHXRDQYFJ-UHFFFAOYSA-N 402.498 5.065 0 40 HKAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 2643014 WYLMITLMUWCLCC-NSHDSACASA-N 407.948 5.098 0 40 HKAB O=C(Cc1ccc(Br)cc1)NCCC(c1ccccc1)c1ccccc1 2654307 OMQOARKDDJLKGC-UHFFFAOYSA-N 408.339 5.330 0 40 HKAB CCCN(CCC)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 2714488 HLIZGOZGYJIUDI-UHFFFAOYSA-N 404.945 6.367 0 40 HKAB CCCCCC(=O)N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl 3153147 NYWUKNTVXKTJGF-CYBMUJFWSA-N 416.574 5.254 0 40 HKAB Cc1cccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2c[nH]c3ccccc23)c1 3313390 QFWGIUSBTDECAY-SFHVURJKSA-N 404.539 5.385 0 40 HKAB COCCn1c(SCc2cnc(-c3ccccc3)s2)nnc1-c1cccc(C)c1 3504439 ITWVJFNSYISRIF-UHFFFAOYSA-N 422.579 5.316 0 40 HKAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)c1ccc(Cl)s1 3506692 YWNVTDDOEQUJBR-UHFFFAOYSA-N 412.927 5.019 0 40 HKAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@H]4CCCC[C@H]4Cc4ccco4)[C@H]3C=C12 4028647 YEXCLAFCAHCLGV-RYEONFAYSA-N 411.586 5.285 0 40 HKAB biogenic Clc1cc2nc(SCc3ccc(Br)cc3)oc2c2ncccc12 4091231 VHVGMFNMOGBYLM-UHFFFAOYSA-N 405.704 6.084 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(Cl)cc2)cc1 4281965 QEESWAQDXJEJPT-ZJSXRUAMSA-N 420.896 5.600 0 40 HKAB O=C(COc1cccc2ccccc12)Nc1ccc(Cl)cc1C(=O)c1ccccc1 4666576 QERRLSNIKXJPJN-UHFFFAOYSA-N 415.876 5.742 0 40 HKAB CC(C)c1ccc([C@@H]2C=C(Nc3ccc(F)cc3)C(=O)N2c2ccc(F)cc2)cc1 4686204 OEVYKBHQWZNQEP-DEOSSOPVSA-N 404.460 6.172 0 40 HKAB Cc1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1C 4690358 PGYFJGJXSLIVHA-UHFFFAOYSA-N 402.519 5.906 0 40 HKAB Brc1ccc2ncc3c(-c4ccccc4)nn(-c4ccccc4)c3c2c1 4969907 PIYHGQWWMWTNDV-UHFFFAOYSA-N 400.279 6.003 0 40 HKAB C[C@@H](NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1)c1cccc(Cl)c1 5170742 ROBLBVVAAYOKQY-LLVKDONJSA-N 408.310 5.013 0 40 HKAB Clc1ccc(/C=C/c2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(Cl)c1 5685130 MWJBXJZBUGCCLO-WYMLVPIESA-N 403.312 7.288 0 40 HKAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccccc1Cc1ccccc1 5966200 FNFPSGKLILBATL-UHFFFAOYSA-N 421.587 5.774 0 40 HKAB CCc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccc3n2)cc1 6124464 XPPPMBXRGZLRLW-UHFFFAOYSA-N 400.909 6.678 0 40 HKAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(N3CCCCC3)cc2)cc1 6249099 JXYJOBMEQYETIE-UHFFFAOYSA-N 419.525 5.042 0 40 HKAB CCCN(C(=O)c1ccccc1C)c1nc(-c2ccc(Br)cc2)cs1 6825282 PSINWWPVXOBSPL-UHFFFAOYSA-N 415.356 5.938 0 40 HKAB CCCN1C(=O)S[C@H](Cc2ccc(OCc3ccc(F)cc3)c(Cl)c2)C1=O 6879253 BBGNBTOYNHEKCW-GOSISDBHSA-N 407.894 5.075 0 40 HKAB CN(CC(=O)N1CCC(c2nc3ccccc3s2)CC1)[C@H]1CCCc2ccccc21 7583082 LCXDIGSQFQSOEV-QFIPXVFZSA-N 419.594 5.012 0 40 HKAB Cc1cc(C)c(NC(=O)CN(C)Cc2nc(-c3cc4ccccc4o3)cs2)c(C)c1 8103720 UURRGOIXCUBUDK-UHFFFAOYSA-N 419.550 5.552 0 40 HKAB Fc1ccc(OCCCSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1 8428352 AQIGVVWWJQQOTI-UHFFFAOYSA-N 408.502 5.462 0 40 HKAB COCc1nn2c3c(cnc2c1-c1ccccc1)C(=O)C[C@@H](c1ccc(Cl)cc1)C3 9290239 OSWBURJCOKWKAW-KRWDZBQOSA-N 417.896 5.109 0 40 HKAB O=S(=O)(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc(F)cc1 10112681 BNSFEBOCIDWVQN-UHFFFAOYSA-N 407.919 5.572 0 40 HKAB CCOc1ccc2oc(-c3ccccc3)c(C(=O)Nc3cc(C)ccc3OC)c2c1 11866415 NLKKHYLWKOLIFV-UHFFFAOYSA-N 401.462 6.068 0 40 HKAB biogenic Fc1ccc(-c2nnc(SCc3c(F)cccc3Cl)n2C[C@@H]2CCCO2)cc1 12595661 JPXWLESTZXWCFR-HNNXBMFYSA-N 421.900 5.348 0 40 HKAB Cn1cccc1[C@@H]1CCCN1C(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 12743347 OLAPIFZPGJTWQD-QFIPXVFZSA-N 410.602 5.622 0 40 HKAB C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1cccc(Cl)c1 12803865 RTBXCFZSYSABFR-QGZVFWFLSA-N 420.940 5.223 0 40 HKAB Cc1cc2nc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)cc4)c3)oc2cc1C 12855596 KFQOZEHCGHWEIQ-DHZHZOJOSA-N 402.881 6.417 0 40 HKAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(-c2nc3ccccc3s2)s1 14075352 RGKPPMNESKVUOZ-UHFFFAOYSA-N 408.504 5.026 0 40 HKAB O=C(Nc1ccc(OC(=O)c2nc(Cl)ccc2Cl)cc1)c1ccccc1Cl 15515832 FTRWVRMSRFGJBM-UHFFFAOYSA-N 421.667 5.513 0 40 HKAB O[C@@H](CNCc1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 16477547 XWIXVVVHURQWNJ-NRFANRHFSA-N 402.321 5.396 0 40 HKAB Fc1cc2c(c(CSc3nnc(C4CC4)n3C3CC3)c1)O[C@H](c1ccccc1)OC2 17280340 WRPVPVLKGCWGTB-JOCHJYFZSA-N 423.513 5.530 0 40 HKAB CC(C)(C)C(=O)N[C@H](C[C@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1 19081743 YSGHOMVLHJUMCA-IFMALSPDSA-N 413.993 5.383 0 40 HKAB COc1cccc2ccc(CN3CCC(c4nnc(-c5ccc(C)s5)o4)CC3)nc12 19217845 ADBNMDWRRSNKGD-UHFFFAOYSA-N 420.538 5.043 0 40 HKAB CCc1cc([C@@H](c2ccccc2F)N2CCOCC2)c(NC(=O)c2ccccc2)s1 19880734 BFLHKRBYQKGHGX-JOCHJYFZSA-N 424.541 5.124 0 40 HKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4cccc5ccccc45)ccc3o2)cc1 20411259 AHMVNRPPKQJUBZ-UHFFFAOYSA-N 406.485 7.024 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N(Cc1ccccc1)Cc1ccccc1 20483137 TVMKAJZVCBTLLW-SANMLTNESA-N 409.529 6.226 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)Cc2ccc(Cl)s2)o1 23706621 HETUWLBECLIXPI-UHFFFAOYSA-N 400.891 5.047 0 40 HKAB Cc1ccc(-n2c(S[C@H](C)c3nc(C(C)C)no3)nc3ccccc3c2=O)cc1C 24755958 IAJUYNHFEKTIPN-MRXNPFEDSA-N 420.538 5.362 0 40 HKAB CN(C(=O)CSc1nc2ccccc2n1C(F)F)[C@H]1CCCc2ccccc21 25981853 LQTGFYCLDHLENW-KRWDZBQOSA-N 401.482 5.060 0 40 HKAB Cc1cc2oc(C(=O)NCCc3csc(-c4ccccc4)n3)c(C)c2cc1Cl 27992617 FDSDXXUEOAZNLH-UHFFFAOYSA-N 410.926 5.799 0 40 HKAB COc1ccc(CN[C@H](C)c2cccc(C(F)(F)F)c2)cc1OCc1cccnc1 30543593 QOQIKTFTFZOOAL-MRXNPFEDSA-N 416.443 5.539 0 40 HKAB O=C(c1ccoc1)N1CCC(NCc2ccc(-c3cccc(Cl)c3)s2)CC1 30668593 FNNIQMFNFRNTLH-UHFFFAOYSA-N 400.931 5.056 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 30869145 TUQZBGCLKUBLBA-LWJGVMBGSA-N 405.925 6.157 0 40 HKAB O=C1c2cc3ccccc3nc2N[C@H](c2ccc(C(F)(F)F)cc2)N1c1ccccc1 30947956 FTLKOZIGQQXNRE-QFIPXVFZSA-N 419.406 6.025 0 40 HKAB CCOc1ccccc1NC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 30996944 PNSUTKUTINMLGF-UHFFFAOYSA-N 406.429 5.409 0 40 HKAB O=C(Nc1ccncc1)c1cc(-c2ccc(F)cc2)nc2onc(-c3ccccc3)c12 36618402 KNYNLSDNHAZUKU-UHFFFAOYSA-N 410.408 5.343 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 46078871 XSBMEUIIKWHJIS-UHFFFAOYSA-N 404.897 5.494 0 40 HKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(Cc2ccc(C)cc2)C4)cc1 54278151 IQMXCCHXPDJYOG-UHFFFAOYSA-N 413.473 5.129 0 40 HKAB biogenic Cc1ccc(NC(=O)c2sc3nc(C)nc(C)c3c2C)c(OCc2ccccc2)c1 65475605 YRJUBAUJQKEFCO-UHFFFAOYSA-N 417.534 5.756 0 40 HKAB CC(C)c1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)cc1 67293144 YYNDUFVWIOMNKT-PNHLSOANSA-N 420.896 5.965 0 40 HKAB COc1ccc(OC)c(NC(=O)C(C)(C)Oc2ccc([C@@H]3CC3(Cl)Cl)cc2)c1 72406335 JYBMIUOMIIGVDX-INIZCTEOSA-N 424.324 5.161 0 40 HKAB O=C(CSc1ccncc1)Nc1cc(C(F)(F)F)ccc1NCc1ccccc1 79096637 DDJVVZBIZFDVBG-UHFFFAOYSA-N 417.456 5.443 0 40 HKAB O=C(c1ccccc1Cl)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 84497891 PWLRFSGCYPTTSM-UUVUFLNPSA-N 406.869 5.963 0 40 HKAB OC1=C2C(=Nc3ncnn3[C@H]2c2cc(F)cc(F)c2)C[C@@H](c2ccc(Cl)cc2)C1 102659472 KBYWHJVQVSLUBV-ODXCJYRJSA-N 412.827 5.275 0 40 HKAB CNC(=O)CC[C@]1(C)[C@@H](O)CC[C@@H]2[C@@H]3CC[C@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@H]21 104303574 NQHLWIQKUHZEBA-CITQGJNRSA-N 419.694 6.195 0 40 HKAB C[C@@H]1[C@H](c2ccc(Cl)c(Cl)c2)c2cc3c(cc2O[C@]1(C)N1CCCC1)OCO3 106343490 AWHYQLPXMIHKLX-DZKUTHLPSA-N 420.336 5.695 0 40 HKAB CCCOc1c(Br)cc(CNc2ccc(Cl)cc2Cl)cc1OC 106994443 LKSYGQSQHMREEP-UHFFFAOYSA-N 419.146 6.165 0 40 HKAB CC(=O)Oc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1 214845936 QSOUKOCWYZSFJT-FYJGNVAPSA-N 403.459 5.002 0 40 HKAB O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccccc1Cl 217651055 WLNVTILVMSNPLE-UHFFFAOYSA-N 408.885 6.522 0 40 HKAB CC[C@H](NC(=O)[C@@H](CC)Oc1ccc2ccccc2c1)c1ccc(OC)c(OC)c1 219351487 QUPHISGGBXFPKH-FCHUYYIVSA-N 407.510 5.282 0 40 HKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 222957894 OGPYVYAKTGBAJF-NRFANRHFSA-N 409.913 6.545 0 40 HKAB CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 222964286 BXGXAUDUFVWSLG-INIZCTEOSA-N 402.941 5.131 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1C(C)C 223331635 QDIWBHOJTRCSKH-RTBURBONSA-N 405.538 5.925 0 40 HKAB COc1ccc(S(=O)(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)cc1C(C)C 223353589 ROYCTNYNVMBACL-QGZVFWFLSA-N 419.587 5.299 0 40 HKAB O=S(=O)(NCc1cccc(Oc2ccccc2)c1)c1cc(Cl)ccc1Cl 223731476 NAFDMARHIDCKRB-UHFFFAOYSA-N 408.306 5.264 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1cc(C)cc(C)c1C 224276756 ZTAZBXUUNNJBKJ-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccc(C)c(C)c1 224297473 VBJASXHICQSXFB-GOSISDBHSA-N 407.485 5.521 0 40 HKAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1CSc1ccc(Cl)cc1 224351604 VIIXHHPYNGRWPK-UHFFFAOYSA-N 411.954 5.913 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1cccc(Cl)c1 224488109 CEKOUNPBIHFPGD-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C)cc2)cc1 224524436 ANVARYFRHQJIFB-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(Nc1nnc(-c2ccccc2)s1)c1cc(Cl)ccc1OCc1ccccc1 224941138 OOMKTMUQAXFUIU-UHFFFAOYSA-N 421.909 5.690 0 40 HKAB CCC1(CC)C[C@H](NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c2ccccc2O1 225505241 QDYOFQDVVTXAIC-DEOSSOPVSA-N 420.597 5.406 0 40 HKAB Cc1cc(C(=O)N2C[C@@H]3CCC[C@](O)(c4cccc(C(F)(F)F)c4)[C@H]3C2)sc1C 253599638 RZHBBUFATDTUKH-XERREHJYSA-N 423.500 5.144 0 40 HKAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3cccs3)o2)CC1)c1cc2cc(F)ccc2[nH]1 257313559 UTELTDHXTRVNSU-HDJSIYSDSA-N 424.501 5.122 0 40 HKAB Clc1ccc(NCc2cccc(OCc3cccc4ccccc34)c2)c(Cl)c1 408613204 XYRCMVHOICEHIR-UHFFFAOYSA-N 408.328 7.338 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccccc2C)cc1 408695599 RNPYSVPPRWQTNC-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(N2C(=O)c3cccc4c(NCc5ccccc5)ccc(c34)C2=O)c(C)c1 408723171 ZUFMOEBWXDAKFU-UHFFFAOYSA-N 406.485 5.869 0 40 HKAB O=C1OC(c2ccccc2)=N/C1=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408813904 FVVBLNRMCFPQMS-HYARGMPZSA-N 412.876 5.688 0 40 HKAB O=C1Nc2ccccc2S/C1=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12 409096051 JJBGTPHQEWBWPP-QRVIBDJDSA-N 416.933 6.428 0 40 HKAB CCOc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409377217 FUINPTSEKZDBRT-UHFFFAOYSA-N 410.901 5.368 0 40 HKAB Cc1cc2oc(-c3cc4c(cc3C)C(C)(C)[C@@H](C)CC4(C)C)c(CC(=O)O)c2c(O)n1 604404437 NKJHMELUFNGNED-AWEZNQCLSA-N 421.537 6.039 0 40 HKAB biogenic Cc1ccc(Oc2cccc(C(=O)N3C[C@H](C(C)(C)C)O[C@@H](C(C)(C)C)C3)c2)cc1 1889070282 NFQYMIQPAUIITK-DHIUTWEWSA-N 409.570 6.089 0 40 HKAB CC(C)Oc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1Br 646726 HGJKHWSGSPQVDU-UHFFFAOYSA-N 402.210 5.507 0 40 HKAB Cc1ccc2cc(CN(C(=S)Nc3ccc(F)cc3)C3CCCC3)c(=O)[nH]c2c1C 874692 IBQTZRSLZBMBIX-UHFFFAOYSA-N 423.557 5.426 0 40 HKAB Brc1ccc(-c2cn3c(nc4ccccc43)c(-c3ccccc3)n2)cc1 1025372 SIBUWGIHXBLQPG-UHFFFAOYSA-N 400.279 5.979 0 40 HKAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(C(C)C)cc3)C3CC3)cc2c1 1364846 RLBSQRYTRCKXAZ-UHFFFAOYSA-N 419.525 5.247 0 40 HKAB COc1cccc(C(=O)CSc2nc(C3CC3)nc3sc4c(c23)CC[C@@H](C)C4)c1 1377339 OIPWWOZQDGVECK-CYBMUJFWSA-N 424.591 5.677 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(C)c4)c3)nc2c1 1851054 FZFGHJWLRQEMPF-MRXNPFEDSA-N 418.924 7.222 0 40 HKAB Cc1cccc(C)c1NC(=O)C(Cl)(Cl)SNc1ccc(Cl)cc1Cl 2161154 UUJABNFKJRQHRQ-UHFFFAOYSA-N 424.180 6.440 0 40 HKAB Clc1cccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1 2269855 CHVVTSCDTWTGDP-UHFFFAOYSA-N 400.696 7.001 0 40 HKAB Brc1ccc(Nc2nc(NCc3ccccc3)c3ccccc3n2)cc1 2328706 OVMXOMWGGSYIMU-UHFFFAOYSA-N 405.299 5.748 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2F)N2CCCCC2)c1C 2546500 TVQOFRXHPKIJRS-QHCPKHFHSA-N 422.569 6.332 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](OC(=O)Cc1ccc(Cl)cc1)c1ccccc1 2630116 RDBXZSZJPBRJQS-HSZRJFAPSA-N 423.896 5.204 0 40 HKAB COc1ccc(Cn2cc3c(-c4ccc(C)cc4)nnc-3c3cc(OC)ccc32)cc1 2690339 ZVFCMRNFKOVQGC-UHFFFAOYSA-N 409.489 5.577 0 40 HKAB O=C(Nc1nc2c(Cl)ccc(Cl)c2s1)c1ccccc1Br 2713890 BRONVEUDAHHXGA-UHFFFAOYSA-N 402.100 5.618 0 40 HKAB CC(C)c1ccc(NC(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)cc1 3230234 IRHOKVOVVAJMLQ-CPNJWEJPSA-N 411.548 5.656 0 40 HKAB Cc1ccc(-c2c(C(=O)O)n(Cc3ccc(Br)cc3)c3ccccc23)cc1 4106895 WDPLYGMZVRGDLH-UHFFFAOYSA-N 420.306 6.126 0 40 HKAB COC(=O)C[C@H](c1ccccc1)[C@@H](SCc1ccccc1)[C@H](O)c1ccccc1 4113998 CYKNIQPTNMENKI-QLBJFCOMSA-N 406.547 5.369 0 40 HKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 5498170 PKWHFQBNJBRWIK-UHFFFAOYSA-N 413.443 6.896 0 40 HKAB Cc1ccc([C@@H](Nc2ccccn2)c2c(NC(=O)c3ccco3)sc(C)c2C)cc1 5739411 ZFXXGBLYTFMAIH-JOCHJYFZSA-N 417.534 6.115 0 40 HKAB Cc1sc2ncn(CC(=O)c3cc(C)n(C4CC4)c3C)c(=O)c2c1-c1ccccc1 6507269 QGWXYERPCIDRPK-UHFFFAOYSA-N 417.534 5.070 0 40 HKAB COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccccc3)cc2O)cc1OC 6719764 MHCWTVIXKGCLEQ-UHFFFAOYSA-N 417.461 5.619 0 40 HKAB biogenic Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)Nc1ccc2c(c1)OCO2 7598025 LLLAVYCPXSZKGZ-UHFFFAOYSA-N 416.433 5.005 0 40 HKAB Cc1ccc([C@@H]2c3c(-c4ccc(C)cc4O)n[nH]c3C(=O)N2Cc2ccccc2)cc1 8845750 UBUZBCNKVMYHJZ-RUZDIDTESA-N 409.489 5.145 0 40 HKAB COc1ccccc1C(=O)N(Cc1cc2ccccc2[nH]c1=O)c1cccc(C)c1C 9271905 ADSQHNCZTCZQNH-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB C/C=C/C=C/C(=O)OCC(=O)c1ccccc1OC(=O)c1ccc(Cl)c(Cl)c1 9499445 RPGXXKYOIKABHX-DSXPNFDZSA-N 419.260 5.071 0 40 HKAB O=C(CSc1nnc(-c2cccs2)o1)c1c(-c2ccccc2)[nH]c2ccccc12 9633125 PVNMBHWAIGZGME-UHFFFAOYSA-N 417.515 5.921 0 40 HKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C 12760383 JXXYMZWXCYSFMA-UHFFFAOYSA-N 418.497 5.095 0 40 HKAB O=C(Cc1csc(-c2ccccc2Cl)n1)NCCCCOc1ccc(F)cc1 12855184 KWHVRAPAXJRMOU-UHFFFAOYSA-N 418.921 5.121 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c(Br)c1 13102637 MONPOKUZPOBBIK-UHFFFAOYSA-N 421.294 6.126 0 40 HKAB COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2cccc(C)c2)c1 13685330 UIZIUEVUZHVROR-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB C[C@@H]1CCc2c(sc3nc(/C=C(\Br)c4ccccc4)[nH]c(=O)c23)C1 13943972 XOJBMLCNEZMESZ-UXEDPAHQSA-N 401.329 5.002 0 40 HKAB Cc1ccc(NC(=O)Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)cc1Cl 15881544 DVDBVNQSYHHUFZ-UHFFFAOYSA-N 408.889 5.415 0 40 HKAB OC(CNCc1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 20365329 DUOOPYVZYTVKTH-UHFFFAOYSA-N 406.740 5.673 0 40 HKAB CCOc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1 21005524 YRCADNJJDUAPBV-DEOSSOPVSA-N 424.504 5.363 0 40 HKAB CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2ccc(CC)cc2)CC1=O 21524564 XZWNGHUQDQEOFA-OAQYLSRUSA-N 419.569 5.184 0 40 HKAB Cc1cccc(OCC(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c1 21578829 FBDNYQUEXUWIRZ-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB Cc1ccc(NC(=O)CSCCC(=O)Nc2ccccc2SC(F)F)cc1 21705387 FUMFKHUCIKLWSW-UHFFFAOYSA-N 410.511 5.010 0 40 HKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc(F)c(F)c1F 22475131 KSRXJWXZMXCBPN-UHFFFAOYSA-N 416.346 5.807 0 40 HKAB FC(F)(F)c1ccc(-c2nc(CSc3nnc(-c4ccc[nH]4)o3)cs2)cc1 22519381 OJQUMPOLIWNBOV-UHFFFAOYSA-N 408.430 5.499 0 40 HKAB COc1ccccc1CN(Cc1cccs1)C(=O)Cc1csc(-c2ccco2)n1 25529806 AYNSQNZWRZEASC-UHFFFAOYSA-N 424.547 5.245 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1C 27830185 QRMHUYQYLQQQRQ-UHFFFAOYSA-N 419.481 5.378 0 40 HKAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)Nc1ccccc1C(F)(F)F 27922417 XTIKRRKUJMNOLE-UHFFFAOYSA-N 406.383 5.350 0 40 HKAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 31903382 GAHSKGQNNPHRIX-QHCPKHFHSA-N 405.542 5.096 0 40 HKAB C[C@H](NC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccc(-n2ccnc2)cc1 32794946 PSQYHWNODNSAKG-AOMKIAJQSA-N 420.513 5.223 0 40 HKAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1SCc1cscn1 32902031 JUQQVVDZXMDRKJ-UHFFFAOYSA-N 417.968 5.951 0 40 HKAB CC1CCN(c2nccnc2Oc2ccc(C(=O)NCCC3=CCCCC3)cc2)CC1 33170780 WJVIGAVUTJUFMF-UHFFFAOYSA-N 420.557 5.126 0 40 HKAB CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1/C(=O)N(Cc2ccco2)C(=O)N=C1O 33694424 NYKIWCYKNZXOJP-OOWUWCJESA-N 418.449 5.112 0 40 HKAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(F)cc3F)c12 36613584 VREOBUZBCAWDLG-UHFFFAOYSA-N 418.447 5.196 0 40 HKAB CC(C)c1c(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cnn1-c1ccccn1 40088854 BNQJYKDBIGAHMK-QGZVFWFLSA-N 412.946 5.011 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079081 VRNOBPCAAYCYRK-UHFFFAOYSA-N 422.887 5.633 0 40 HKAB O=C1/C(=C/c2ccc(-c3nc4ccccc4s3)o2)N=C(S)N1c1ccccc1F 48331388 ZCVDDCACUHXGMQ-PTNGSMBKSA-N 421.478 5.369 0 40 HKAB COc1ccc(OC)c(NC(=O)[C@@H](C)N[C@H](C)c2ccc(-c3ccccc3)cc2)c1 58159650 REVHXXAHXSLHJT-QZTJIDSGSA-N 404.510 5.049 0 40 HKAB Cc1csc(-c2ccc(C(=O)NCc3cccnc3Oc3cccc(F)c3)cc2)n1 58264907 QHBLEZFVTFEQNQ-UHFFFAOYSA-N 419.481 5.375 0 40 HKAB Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(Cl)cc1Cl 59476020 ZJYILANALQDCKI-UHFFFAOYSA-N 403.103 5.390 0 40 HKAB O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Cl)cc1Cl)N1CCCCC1 64658272 NAJRRCQBOWSUFQ-UHFFFAOYSA-N 418.299 6.050 0 40 HKAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3cccc(N4CCOC4=O)c3)n2)cc1 71918881 YMYZLBOMRKNGDE-UHFFFAOYSA-N 421.522 5.317 0 40 HKAB CC(=O)N1CCCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215776 ILSJVKTXUMMQLK-HXUWFJFHSA-N 401.551 5.229 0 40 HKAB O=C(CCCc1ccc(F)cc1)N1CCC[C@@H]1c1cccc(Nc2ccc(F)cn2)n1 72375642 ICFZCYDBUDHOAW-OAQYLSRUSA-N 422.479 5.185 0 40 HKAB CCCCSc1nnc(NC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)s1 80344167 ZKNMGDYAQGMQKC-CHWSQXEVSA-N 402.372 5.479 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 96627170 KAYJTSMNQCQASC-FQEVSTJZSA-N 411.977 5.181 0 40 HKAB OC1=C2C(=Nc3ccccc3N[C@@H]2c2cccc(O)c2)C[C@@H](c2ccc(Cl)cc2)C1 100426848 CFVWLTUWJKRNJS-CRICUBBOSA-N 416.908 6.675 0 40 HKAB CN1[C@@H]2CC[C@@H]1CC(N(CCc1ccccc1)C(=O)c1ccc(-c3ccccc3)cc1)C2 100932570 BFLBFVLHPMIIAT-KAYWLYCHSA-N 424.588 5.664 0 40 HKAB Brc1ccc(C2=C[C@@H](c3cccc4ccccc34)n3ncnc3N2)cc1 102565280 RUSULFUVYQINRB-FQEVSTJZSA-N 403.283 5.250 0 40 HKAB Cc1nc2cc(NC(=O)CC34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)ccc2o1 103189493 QJBUXTNSKKVHES-RCRDTURJSA-N 403.320 5.199 0 40 HKAB C[C@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118917509 XYNPYHXGMWJBLV-IZRQUEKYSA-N 415.662 5.367 0 40 HKAB in-man COc1ccc(C(=O)Nc2ccc(-c3csc(Nc4cccnc4)n3)cc2)cc1F 208005703 DCGNNVPWEXWOKC-UHFFFAOYSA-N 420.469 5.349 0 40 HKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CC1 223375202 CKLYRWMLFRGDBJ-XZOQPEGZSA-N 402.567 5.008 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)c1 224252410 KCBWTXPCMMHDSY-ZEQRLZLVSA-N 410.546 5.358 0 40 HKAB C[C@@H](NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1 224929015 WZNZVBNPSSZPSG-OAHLLOKOSA-N 420.871 6.292 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)Nc3ccc(F)cc3)c2)cc1 225459220 LGYJKODGBLNPCN-UHFFFAOYSA-N 421.541 6.184 0 40 HKAB Fc1ccc(COc2ccc(CNC(=S)Nc3c(F)cccc3F)cc2)cc1 225534475 YRAWVCUPGKVDPK-UHFFFAOYSA-N 402.441 5.170 0 40 HKAB CC(C)Oc1ccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 225535045 RJMFVTHDYPZGFH-UHFFFAOYSA-N 424.541 5.679 0 40 HKAB COCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1Cl 225546951 DGPPJAQSUYUWFR-UHFFFAOYSA-N 405.897 5.345 0 40 HKAB COC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCCC2)ccc1OCC(C)C 225758487 ZTJNMBXWCYHRGJ-UHFFFAOYSA-N 423.553 5.657 0 40 HKAB COc1ccc(/C=C2\C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cc1 257345107 MDGYGSZQYJUTBN-WZTIAVARSA-N 408.582 5.373 0 40 HKAB CC(C)Cn1c(Cc2ccccc2)nnc1SCCOc1ccccc1Cl 409097013 LTXHBUYPFXYUFO-UHFFFAOYSA-N 401.963 5.349 0 40 HKAB COc1cc(CNc2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1Cl 409117229 NTKASYPFYHXDRX-UHFFFAOYSA-N 416.348 6.810 0 40 HKAB CCCc1nc2ccc(NC(C)=O)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 930722 LVEHMJPZKVXRKG-UHFFFAOYSA-N 411.505 5.023 0 40 HKAB COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccc(F)cc3)ccc2c1=O 1448176 SPYBJSXTIXOAMS-UHFFFAOYSA-N 404.393 5.135 0 40 HKAB biogenic COc1cc(C(=O)Nc2nc(-c3ccc(C(C)C)cc3)cs2)cc(OC)c1OC 1511850 PNFHBHHQLPNUSW-UHFFFAOYSA-N 412.511 5.212 0 40 HKAB C=Cc1c(Cl)nc(C)c(C)c1-c1ccc(OC)c(OC)c1OCc1ccccc1 1581477 XXHDIMXSWUKFCC-UHFFFAOYSA-N 409.913 6.258 0 40 HKAB COc1ccc([C@]2(c3ccccc3F)C=Cc3c(ccc4oc5ccccc5c34)O2)cc1 2063812 MCACPNYAXULDQA-NDEPHWFRSA-N 422.455 7.083 0 40 HKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1ccc2ccccc2c1 2301252 NPMHHSIUJIJNGF-UHFFFAOYSA-N 417.295 6.513 0 40 HKAB O=C(COC(=O)c1ccc2c(c1)-c1ccccc1C2=O)c1ccc(-c2ccccc2)cc1 2305248 QWPHGISBUXQKSM-UHFFFAOYSA-N 418.448 5.605 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(F)cc2)N2CCCCC2)c1C 2546433 LJGUUEAXMPCDBS-HSZRJFAPSA-N 422.569 6.332 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccc(F)c2)N2CCCCC2)c1C 2546530 KSOHPOCEWBGZKN-HSZRJFAPSA-N 422.569 6.332 0 40 HKAB CC(C)(C)c1ccc(Cn2c(COc3ccc4ccccc4c3)nc3ccccc32)cc1 2695637 ZUKRNILMGWUUCP-UHFFFAOYSA-N 420.556 7.114 0 40 HKAB CC1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 2714595 IHWSWUVNJVOIET-UHFFFAOYSA-N 402.929 5.977 0 40 HKAB Cc1nn(Cc2ccc(-c3n[nH]c(=S)n3[C@H](C)c3ccccc3)cc2)c(C)c1Cl 2793228 YZFUBMUGIQSDEI-OAHLLOKOSA-N 423.973 5.732 0 40 HKAB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CNc1cccc(Br)c1 3131955 YRLDRJXDDACBPV-OVCLIPMQSA-N 423.719 5.208 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c(Cl)c1 3770793 ZRWYYMAAMTZZRQ-UHFFFAOYSA-N 404.897 6.634 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(-c3nc4cccnc4s3)c2)c(C)c1 4036369 CMQIDUPVNXIGGA-UHFFFAOYSA-N 409.536 5.084 0 40 HKAB CCCC[C@H](CC)COP(=O)(C[C@@H](CC)CCCC)OC[C@@H](CC)CCCC 4410226 GOCVCBDBQYEFQD-HJOGWXRNSA-N 418.643 8.862 0 40 HKAB COc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2ccc(C)cc2)cc1 4891478 MHUMOMPUBYNFTG-UHFFFAOYSA-N 421.566 5.237 0 40 HKAB Cc1ccc(S(=O)(=O)NCC[C@@H](c2ccccc2)c2ccc(OC(C)C)cc2)cc1 4956518 LLASHTWWDZVLJJ-VWLOTQADSA-N 423.578 5.283 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(-c3ccccc3C)nc2c1 5197428 UTZNIFRNLYSSOY-UHFFFAOYSA-N 408.457 6.217 0 40 HKAB CCN(CC)c1ccc(N[C@@H](C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 5883660 LCMAGTCMJABXSA-RUZDIDTESA-N 418.537 5.586 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)c1 6034675 UEERSNYAHXQWLP-UHFFFAOYSA-N 410.926 5.632 0 40 HKAB CC(C)CC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 6325226 GXCIWMWSVVOCQF-UHFFFAOYSA-N 403.960 5.476 0 40 HKAB O=C(c1cc2ccccc2o1)N1CCN=C1SCc1ccc(Cl)cc1Cl 6536366 ULBQXZRAUZVCTB-UHFFFAOYSA-N 405.306 5.485 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3)nc2c1 6542036 RBNPGVKJRMKEKD-HNNXBMFYSA-N 414.461 5.989 0 40 HKAB O=C(O)c1ccc(CSc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1 6829091 WMRQSXNCPOTJRW-UHFFFAOYSA-N 412.923 6.002 0 40 HKAB Cc1ccc(-c2csc3ncnc(S[C@@H](C(=O)N(C)C)c4ccccc4)c23)cc1 7540184 UTIIWALILGXPRU-HXUWFJFHSA-N 419.575 5.588 0 40 HKAB Cc1nc(-c2ccc(CNC(=O)c3cc(F)ccc3Br)s2)cs1 7821700 HBSZKXOVJBXQIV-UHFFFAOYSA-N 411.321 5.012 0 40 HKAB CC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)cc1 7928801 TYVAZAJWMJBPQS-CYBMUJFWSA-N 406.309 5.249 0 40 HKAB COCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2ccccc12 8106029 IXAOIKGHVGRHJK-NCELDCMTSA-N 421.496 6.084 0 40 HKAB CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 8131972 LTWWETDWNTZTNF-JOCHJYFZSA-N 418.493 5.216 0 40 HKAB Cn1c(-c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2N)n[nH]c1=S 8382933 XOLJWYGJTOOASF-UHFFFAOYSA-N 416.535 5.066 0 40 HKAB CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(Cl)cc3)o2)cc1 8394720 AJEYAMMRBUQDPG-AWEZNQCLSA-N 415.946 5.600 0 40 HKAB Nc1c(C(=O)c2ccccc2)sc2nc(C(F)(F)F)cc(-c3ccc(F)cc3)c12 8455971 XTLBSTAFUBXLDA-UHFFFAOYSA-N 416.399 5.934 0 40 HKAB COc1cccc(N2C[C@H](c3nc4ccccc4n3C/C=C/c3ccccc3)CC2=O)c1 8657348 NFKNXSPEOXGMCU-OGECGYFKSA-N 423.516 5.279 0 40 HKAB c1ccc(-c2cc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)no2)cc1 8750165 KWSWUGWQOOPTNK-QGZVFWFLSA-N 424.551 5.133 0 40 HKAB Cc1cccc(NC(=O)Nc2nc(CC(=O)Nc3cc(Cl)ccc3C)cs2)c1 9625618 MJLHWWSHLSWFLF-UHFFFAOYSA-N 414.918 5.239 0 40 HKAB O=C(OCc1ncc(-c2ccccc2)o1)c1nc(Cl)c(Cl)c(Cl)c1Cl 9780499 HAGNEWWJOASJJI-UHFFFAOYSA-N 418.063 5.707 0 40 HKAB Cc1cc(C)c(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c(Cl)c1 12988436 IPJZWRQSEAUPKD-HSZRJFAPSA-N 410.970 5.605 0 40 HKAB Cc1ccc(C2=NN3[C@H](c4ccc(C(C)C)cc4)Oc4ccc(Cl)cc4[C@H]3C2)o1 13512233 QOIYWKCQFBKIPA-QPPBQGQZSA-N 406.913 6.607 0 40 HKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 13708670 QUNIUKHPAXPESC-LJQANCHMSA-N 416.521 5.262 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)NCCSCc1ccc(Cl)cc1 13716978 NJISRICHTIUGHK-UHFFFAOYSA-N 409.982 5.912 0 40 HKAB CCCC1=C(C(=O)OCC)[C@H](c2cccc(Oc3ccccc3)c2)n2nc(C)nc2N1 14163396 GFHATFOKJLJGSO-QFIPXVFZSA-N 418.497 5.011 0 40 HKAB Cc1cc2sc(NC(=S)NC(=O)c3ccc(OC(C)C)cc3)nc2cc1Cl 16284291 YCLOQHOOKFEKJX-UHFFFAOYSA-N 419.959 5.172 0 40 HKAB Fc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@H](c3ccc(Cl)cc3)C2)cc1 16399283 KREJOYKMGIWNBA-NRFANRHFSA-N 418.821 6.854 0 40 HKAB Cc1c(Cl)cccc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 17087495 OKVYFQROLKVZNI-SOFGYWHQSA-N 406.696 6.867 0 40 HKAB O=c1c2ccsc2ncn1Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 19296486 ICWKWYJVQCEHAG-UHFFFAOYSA-N 418.909 5.012 0 40 HKAB Fc1ccccc1N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccccn23)CC1 20366179 HDQMLQOSIBMXQV-UHFFFAOYSA-N 420.919 5.116 0 40 HKAB CCc1ccc(OCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 20492411 RBWPLNBRMFGRJZ-UHFFFAOYSA-N 415.533 5.795 0 40 HKAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CCc1ccc(Cl)cc1Cl)C3 20610168 QFFVPCSCSWGHNH-UHFFFAOYSA-N 418.320 5.420 0 40 HKAB biogenic CCn1c2ccccc2c2cc(NC(=O)c3sc(-c4cccnc4)nc3C)ccc21 22237570 AAYJNHFPRZEWNZ-UHFFFAOYSA-N 412.518 5.894 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1OCc1ccncc1 24745741 RULPYKBRLBCYET-SFHVURJKSA-N 416.521 5.039 0 40 HKAB CCCCN(CC)C(=O)c1cc(-c2ccccc2C(F)(F)F)nc2onc(C)c12 29606418 GLSXPWRTOJGDDZ-UHFFFAOYSA-N 405.420 5.479 0 40 HKAB Cc1nnc(Sc2nc(-c3ccsc3)nc3ccccc23)n1Cc1ccccc1 32856117 LWEDWQCMVCRWDO-UHFFFAOYSA-N 415.547 5.458 0 40 HKAB CC(C)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3Cl)sc2c1 33000623 NDCQAQTVFKHTPX-UHFFFAOYSA-N 419.959 5.275 0 40 HKAB Cc1ccccc1[C@H]1C(C=NNc2ccccc2)=C(c2ccccc2)Oc2ccccc21 33923875 ITULBBUZRBTQIP-MUUNZHRXSA-N 416.524 7.029 0 40 HKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)C1 38857100 DXZXTQSSTYTNTC-CQSZACIVSA-N 410.867 5.843 0 40 HKAB C[C@H]1Cc2ccccc2N1c1nc2nccc(/C=C/C=C/c3ccccc3)c2c(=O)[nH]1 40388451 ZFARHPYRMFNCFT-JSKZHRNKSA-N 406.489 5.127 0 40 HKAB Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2cccc(Cl)c2)no1 44087229 DTBIIBDZYQNCDW-UHFFFAOYSA-N 424.913 5.220 0 40 HKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1c(F)cccc1Cl 44900038 WMBUIAAKYOMETE-LJQANCHMSA-N 409.954 5.303 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 44937367 JTFIXBNSEAHWHB-VWLOTQADSA-N 408.586 5.588 0 40 HKAB Brc1cccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc4ccccc4n32)c1 101100947 LMDDGDLLILQVSQ-FPOVZHCZSA-N 404.311 5.945 0 40 HKAB CC1=C[C@H]2C=C[C@@H]1[C@@H]1[C@@H]2[C@@H]2[C@@H]1[C@@]1(C)C(=O)[C@@]2(C)C(c2ccccc2)=C1c1ccccc1 104289335 WHPKYFFPEMEUCT-FEWWGCNASA-N 404.553 6.447 0 40 HKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1 107041910 TUWYRDPDFVFOSV-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB Clc1cccc(NN=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1 107820990 DNCQCTBFWGONAP-UHFFFAOYSA-N 420.950 6.424 0 40 HKAB C[C@@H](NC(=O)c1ccccc1NC(=O)CSCc1ccc(F)cc1)c1ccccc1 216362112 SNBMFXFPSBVCRI-QGZVFWFLSA-N 422.525 5.189 0 40 HKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1c(F)cccc1Cl 222983053 WJTCOZSPCCVNPC-HXUWFJFHSA-N 409.954 5.303 0 40 HKAB CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1F)c1ccc2c(c1)CCCC2 223135019 XQDSLVIFFBBFJR-OAQYLSRUSA-N 405.966 5.859 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCC2)cc1COc1ccc(C(C)(C)C)cc1 224518370 WGJBAYFYDGQPKE-UHFFFAOYSA-N 409.570 6.024 0 40 HKAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 224898333 UOTRDNHZFQBGDR-UHFFFAOYSA-N 411.549 5.097 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)Cc2ccccc2Cl)cc1 225441616 KOTCRBUJOPABOR-UHFFFAOYSA-N 402.277 5.976 0 40 HKAB Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c1 225585442 CWULRRVGRRTNHC-QGZVFWFLSA-N 402.941 5.185 0 40 HKAB Cc1cc(NC(=S)N[C@H](C)CC(C)(C)c2ccccc2)ccc1N1CCCC1=O 225661325 MHOJXKVVKFJSBP-GOSISDBHSA-N 409.599 5.165 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)nn2-c2ccc(C)cc2)cc1 408723968 BGYKQYPVJCGAHC-UHFFFAOYSA-N 409.533 6.532 0 40 HKAB Cc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 408970552 BGFBAORPCNVUPF-UHFFFAOYSA-N 405.325 5.101 0 40 HKAB Cc1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)c(C)c2)c1 409100482 NXFCDQNUUCCYPN-UHFFFAOYSA-N 419.981 6.805 0 40 HKAB O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 409349240 UZPFJAHZTCUMNR-AREMUKBSSA-N 424.931 6.706 0 40 HKAB CC(C)=CCC[C@@]1(C)Oc2ccc(-c3cccc(C(=O)O)c3)cc2[C@@H]2OCCC[C@H]21 585265487 FTQAANYTYNZYBA-KTIWRFAQSA-N 406.522 6.417 0 40 HKAB CCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(COc2ccc(C)cc2C)n1 585265976 WNKBSKBRWXWJCT-UHFFFAOYSA-N 411.885 5.695 0 40 HKAB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3n2)cc1 828078 FZLCRXVVDVJVLD-UHFFFAOYSA-N 414.509 5.369 0 40 HKAB CCOC(=O)Nc1ccc2c(c1)N(C(=O)NC1CCCCC1)c1ccccc1CC2 1245156 OJUBTOULITXVKB-UHFFFAOYSA-N 407.514 5.534 0 40 HKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(Br)cc1 1505401 YICNKASRSFRMER-UHFFFAOYSA-N 409.308 5.978 0 40 HKAB Cc1cccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)ccc4C)coc3c2)c1 1774623 OBACGZAKRYNSRM-UHFFFAOYSA-N 400.430 5.730 0 40 HKAB Cc1c(CCC(=O)O)c(=O)oc2cc3occ(-c4ccc(-c5ccccc5)cc4)c3cc12 2121327 QZVLIDJNFOYHIU-UHFFFAOYSA-N 424.452 6.199 0 40 HKAB biogenic COc1cccc(Oc2c(C)oc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)c1 2431960 ALCHABSRPJTZKP-UHFFFAOYSA-N 422.864 6.135 0 40 HKAB biogenic CC(C)c1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 2634792 VGWMUVQOAQZSCI-UHFFFAOYSA-N 423.896 6.051 0 40 HKAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)Cc1ccc(F)cc1 2762011 UQSRPOHYXJKUOW-UHFFFAOYSA-N 406.288 5.175 0 40 HKAB COc1cccc(C2=C[C@@H](c3c(F)cccc3Cl)n3c(nc4ccccc43)N2)c1 2918479 GKMAQDCPZODHDN-NRFANRHFSA-N 405.860 5.893 0 40 HKAB CN(C)c1ccc(NP2(=O)C=C(c3ccccc3)SC(c3ccccc3)=C2)cc1 3174522 GDDPXFRTUGBNIY-UHFFFAOYSA-N 418.502 7.187 0 40 HKAB Cc1ccc(C(=O)COC(=O)CSc2cc(C)c(Br)cc2C)cc1C 3228968 HGABRAKUDMBBDS-UHFFFAOYSA-N 421.356 5.201 0 40 HKAB Cc1ccc(-c2csc(NC(=O)c3ccccc3OCc3ccccc3)n2)cc1 3262030 RZSCUEWKIZUTJH-UHFFFAOYSA-N 400.503 5.950 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)CN4c5ccccc5C[C@@H]4C)cc3)sc2c1 3432409 FLMGFTJDIIZWQR-KRWDZBQOSA-N 413.546 5.661 0 40 HKAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)cc1OC 4061934 KLLUXTMIHCIHJO-GXBHKBKGSA-N 407.554 5.085 0 40 HKAB biogenic CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cn(C)c4ccccc24)N3)C1 4109073 KZNPQXXXFLYLBR-LHSJRXKWSA-N 407.583 6.210 0 40 HKAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN=C1SCc1cccc(F)c1 4119908 DZVHEEHEBWXBAA-UHFFFAOYSA-N 404.510 5.167 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4887387 UKRMXWMCDFUMQY-KOVCEZANSA-N 412.702 8.233 0 40 HKAB biogenic CCc1ccc(-c2nc(SCC(=O)NCc3ccco3)c(-c3ccccc3)[nH]2)cc1 4927682 MXUUKSNLYVDNSS-UHFFFAOYSA-N 417.534 5.308 0 40 HKAB COc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)Nc2ccccc2)cc1 4927903 CWRXQRHMCKEDAM-UHFFFAOYSA-N 415.518 5.483 0 40 HKAB CCC[C@@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@]1(O)c1ccc(F)cc1 5093672 FWIMWRAGFVUMJK-AMHVUCMBSA-N 403.541 6.152 0 40 HKAB Cc1ccc2sc(N(Cc3cccnc3)C(=O)CCc3ccccc3)nc2c1C 5142330 UCYSHCXSESZZEZ-UHFFFAOYSA-N 401.535 5.474 0 40 HKAB CC1(C)C[C@](CCNCc2ccc(Cl)cc2)(Cc2ccccc2Cl)CCO1 5297396 FGZPBWPALAFDLD-QHCPKHFHSA-N 406.397 6.291 0 40 HKAB Clc1ccc(CSCc2cc(N3CCCCC3)nc(-c3ccccc3)n2)cc1 5516841 MWEAHHHBTXLQNF-UHFFFAOYSA-N 409.986 6.221 0 40 HKAB COc1ccc(C)cc1NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 6395440 KEXGDFXMEKIPOT-HXUWFJFHSA-N 422.912 5.157 0 40 HKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O 6656783 SSNWQMLTKQCWDJ-DEDYPNTBSA-N 415.486 5.250 0 40 HKAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)Cc1ccc(-c2ccccc2)cc1 6662400 QDIVCIFJHHRRPR-UHFFFAOYSA-N 417.896 5.258 0 40 HKAB CCCCSc1nnc(-c2c[nH]c3ccccc23)n1-c1cc(OC)ccc1OC 6708833 WSLCUHOEUHBNIM-UHFFFAOYSA-N 408.527 5.325 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc(C)c(C)n2C2CCCCC2)c1C 7319458 DNDNNPUHBGIELH-KRWDZBQOSA-N 401.576 5.516 0 40 HKAB CCOc1cc(CNC(C)(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 8254020 CGDDXSHIHLAUFY-UHFFFAOYSA-N 416.776 6.513 0 40 HKAB COc1ccccc1NC(=O)N(Cc1nc(-c2ccc(C)cc2)no1)C1CCCCC1 9200960 XCESSEPTBRJTKT-UHFFFAOYSA-N 420.513 5.420 0 40 HKAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCc4ccc(Cl)cc4)c(C)c3cc12 11867544 CLPYGYGYHHRCJQ-UHFFFAOYSA-N 423.896 5.367 0 40 HKAB Cc1ccc(Cn2nc(C)c(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c2C)cc1 12633674 LKVPRRMNZMKLKV-UHFFFAOYSA-N 418.544 6.581 0 40 HKAB Cc1c(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)[nH]c2c1C(=O)CC(C)(C)C2 12979719 MZHXWYJWLQHYGF-QGZVFWFLSA-N 421.566 5.455 0 40 HKAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)Cc1ccc(C(F)(F)F)cc1 12995621 ZDYKZNMBDHJWJO-UHFFFAOYSA-N 422.428 5.193 0 40 HKAB FC(F)n1c(CSc2nc(C(F)(F)F)nc3ccccc23)nc2ccccc21 14902882 IYYFIDXOWSQJFK-UHFFFAOYSA-N 410.371 5.686 0 40 HKAB O=C1C[C@@H](c2cc(F)ccc2F)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15082792 LAOXXGOFERTBNY-ZDUSSCGKSA-N 403.381 5.005 0 40 HKAB Cc1ccc([C@@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(Cl)cc2)cc1 15412584 UKJGGQXSPBFIPL-XMMPIXPASA-N 418.924 5.386 0 40 HKAB CCC[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1 18135397 ZEPBPZHMFHBJSS-RUZDIDTESA-N 414.549 5.350 0 40 HKAB Oc1ccc(/C=C/CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 19359772 BORXUYRMIOAMIE-OWOJBTEDSA-N 420.503 5.091 0 40 HKAB in-vitro CCOc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3ccccc3F)no2)cc1 21524315 RISULHXWYGCURM-UHFFFAOYSA-N 420.440 5.315 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)c4cc5ccccc5cc4OC)ccc3o2)c1 21579250 HLJJCTHYUBVIPV-UHFFFAOYSA-N 424.456 5.918 0 40 HKAB CCN(CC)c1ccc(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cc1 23080742 VUTVUSVVJWHOBW-UHFFFAOYSA-N 424.932 5.041 0 40 HKAB COCCn1c(SCc2csc(-c3ccc(C)cc3)n2)nnc1-c1ccccc1 24196309 DRNYJDCTUUOKAT-UHFFFAOYSA-N 422.579 5.316 0 40 HKAB CCSCn1nnc(-c2cccs2)c1C(=O)Nc1cc(Cl)cc(Cl)c1 32611797 XCCFZFACOWSHLK-UHFFFAOYSA-N 413.355 5.276 0 40 HKAB O=C1S/C(=C\C=C\c2ccccc2)C(=O)N1CNc1ccccc1Br 34857853 WUSRPBUFTDEUAD-NPDFUIFFSA-N 415.312 5.111 0 40 HKAB O=C(CCSc1ccccc1)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 38710571 MJTYIBSRKPJTCR-UHFFFAOYSA-N 422.575 5.068 0 40 HKAB CCOC(=O)c1cc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)ccc1Cl 38755752 CXROOSNGFVAGQV-CYBMUJFWSA-N 410.297 5.193 0 40 HKAB O=C1C(O)=C(c2ccccc2)[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1Cl 40485333 PZMHRRPXRMFQMH-OAQYLSRUSA-N 410.300 6.046 0 40 HKAB COc1cc(Br)c(NC(=O)c2cc3c(s2)CCCCC3)cc1OC 65825951 IRCMKDVAIYWQBB-UHFFFAOYSA-N 410.333 5.049 0 40 HKAB Clc1cccc(-c2nnn3c2nc(NCCc2cccs2)c2ccccc23)c1 67261510 HBWYCBXOMUBDJX-UHFFFAOYSA-N 405.914 5.314 0 40 HKAB CC(C)c1ccc2oc(-c3cc(NC(=O)C(Cl)(Cl)Cl)ccc3O)nc2c1 70462011 UXCQHOMFVAWPQD-UHFFFAOYSA-N 413.688 5.633 0 40 HKAB COc1cc(Nc2nc(-c3ccccc3)c3ccc(Cl)cc3n2)cc(OC)c1OC 79046850 BYRHOLUVIVXOPF-UHFFFAOYSA-N 421.884 5.720 0 40 HKAB Cn1ncc2c1CCC[C@H]2NC(=O)c1sc2cc(C(F)(F)F)ccc2c1Cl 84310574 PSIKQRRIJSMJHA-GFCCVEGCSA-N 413.852 5.114 0 40 HKAB COc1cccc(-c2[nH]c3ccccc3c2[C@H]2CCC(=O)N2CCCOC(C)C)c1 85430352 MZSANBIGXXXPHT-JOCHJYFZSA-N 406.526 5.322 0 40 HKAB Cc1ccc2c(-c3cc4c(CNCc5ccccc5)cnc(C)c4o3)cc(=O)oc2c1 95474385 TXUYVYGCPPRREP-UHFFFAOYSA-N 410.473 5.508 0 40 HKAB Cc1cccc2sc(NC(=O)CCCN3C(=O)CC(C)(C)c4ccccc43)nc12 96183657 BWBXLZSYGSKXAU-UHFFFAOYSA-N 407.539 5.038 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4nc5ccccc5n4[C@H](c4ccco4)C3=C(O)C2)cc1 102580803 CKHGRVWZCFELCM-VOIUYBSRSA-N 411.461 5.703 0 40 HKAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(C(C)(C)C)cc1 104078973 QSVDONWGKCFINS-VWLOTQADSA-N 416.565 6.797 0 40 HKAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222804304 YIJYOHVTTVTURC-RTBURBONSA-N 418.349 5.641 0 40 HKAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 224701263 DJIQWHGZLSZLMW-NRFANRHFSA-N 416.565 5.024 0 40 HKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 225044875 RDEADWXCHGCZCC-FCHUYYIVSA-N 422.613 5.383 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(Cc2ccncc2)cc1 225173269 GMKDQUJTQUMZAV-UHFFFAOYSA-N 400.906 5.337 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)N[C@@H]3C[C@H]4CC[C@@H]3C4)c2)cc1 225323575 JWIJSPRKRMSMHN-AQOAWAETSA-N 406.595 5.690 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c1 225506122 XTGPPFJNXBMJKF-QHCPKHFHSA-N 418.562 5.556 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OCC)c2)CCC[C@H](C)C1 225854355 KFYHCWGQWNARAT-MHECFPHRSA-N 419.562 5.212 0 40 HKAB Clc1ccc(Cc2nc3cc(Br)cc(Br)c3[nH]2)cc1 226342894 FQISOQMGWAUPOD-UHFFFAOYSA-N 400.501 5.332 0 40 HKAB CCCc1ccc(OCC(=O)O)c(-c2cc(-c3ccc(F)cc3)n(CC(C)C)n2)c1 257259521 KYSQJKQHZCPYBE-UHFFFAOYSA-N 410.489 5.428 0 40 HKAB C[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 260917320 CYOSFXFDJUIMNR-MBSDFSHPSA-N 410.989 5.308 0 40 HKAB COc1cccc(NC(=O)c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)c1 408551469 CXEIHMAEVCYOMP-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(C)c3C)n2)cc1 408694331 JCQWPBXOJMRWQT-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB COc1ccc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1Cl 408971369 JERGCMUYTISANH-UHFFFAOYSA-N 421.132 6.776 0 40 HKAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1Br 409013273 UEKOGVGCPAOXHO-ATARQRRYSA-N 412.349 5.461 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1cccc(F)c1 409118791 QWRALQXZTXCLCP-UHFFFAOYSA-N 413.920 6.686 0 40 HKAB CCc1c(C(=O)Nc2cccc(Cl)c2N2CCOCC2)oc2cc(C)c(C)cc12 526052320 YIBPVUJHRWZKLX-UHFFFAOYSA-N 412.917 5.354 0 40 HKAB Clc1cc(Cl)c(OCOc2c(Cl)cc(Cl)cc2Cl)c(Cl)c1 2362803825 QBODRVTZLIYNSW-UHFFFAOYSA-N 406.907 7.022 0 40 HKAB COC(=O)c1sc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)nc1C 730341 XODKYSABJVDBDT-UHFFFAOYSA-N 401.296 5.012 0 40 HKAB COc1cccc(C(=O)Nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)c1 1006672 QQIMIUUDKFSGEC-UHFFFAOYSA-N 408.885 5.470 0 40 HKAB COc1ccccc1C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1 1447988 KTRGHGIVXZUIMY-UHFFFAOYSA-N 420.848 5.650 0 40 HKAB biogenic O=C(C[C@@H](c1ccccc1)[C@@H](C(=O)O)c1ccc(Br)cc1)c1ccccc1 1581040 NPAYRKZRMQPFGG-UNMCSNQZSA-N 423.306 5.674 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@H](C(C)C)OC3 1798228 JIUCLCUFQNVHJB-QGZVFWFLSA-N 414.596 5.355 0 40 HKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1cccc2ccccc12 1896228 GQUAMAPLHDGDDV-UHFFFAOYSA-N 415.514 5.926 0 40 HKAB CCc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 2094024 JZPFOCIXXJAPMH-UHFFFAOYSA-N 416.348 6.756 0 40 HKAB CCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Br)cc2)cc1 2187852 DXMWHXJJZRHWLM-OAQYLSRUSA-N 407.311 5.783 0 40 HKAB O=C(/C=C/c1ccccc1Cl)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2341369 KXGZCQVEHQFQBH-SOFGYWHQSA-N 423.752 6.346 0 40 HKAB Cc1cc(C)n(-c2c(Cc3ccccc3)c(C)nc3c(-c4ccccc4)c(C)nn23)n1 2344320 WKZDCLWOLKNUIF-UHFFFAOYSA-N 407.521 5.406 0 40 HKAB C[C@H](c1ccccc1)n1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21 2368782 IEBLVUPSPXWCIQ-QGZVFWFLSA-N 422.488 5.133 0 40 HKAB c1ccc(-c2nc3ccccc3n2CCCCN2CCN(c3ccccc3)CC2)cc1 2577983 KLOMSWJYCPUUCJ-UHFFFAOYSA-N 410.565 5.306 0 40 HKAB Cc1nn(C(=O)c2cc3ccccc3oc2=O)c(C)c1Sc1ccc(Cl)cc1 2685843 TZCGBXLYFAOMNE-UHFFFAOYSA-N 410.882 5.099 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)/C=C/c1cccs1)CC2 3227883 VHQATFPAMOEPQC-VQKOGROQSA-N 411.548 5.014 0 40 HKAB c1ccc(Cn2c(SCc3nc4ccccc4s3)nnc2-c2ccco2)cc1 3270112 CXJQOMGZPJXBQP-UHFFFAOYSA-N 404.520 5.488 0 40 HKAB CO[C@H](c1ccccc1)c1oc2c(C)c3oc(=O)cc(C)c3cc2c1-c1ccccc1 3671606 RUBTWBGJNVEVOB-AREMUKBSSA-N 410.469 6.559 0 40 HKAB biogenic O=C(O)c1cc(-c2ccc(-c3cc(C(=O)O)c4ccccc4n3)cc2)nc2ccccc12 3844853 YZUZUSJYPFGORM-UHFFFAOYSA-N 420.424 5.513 0 40 HKAB biogenic CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4)cc3n2)cc1 4122927 YPRQXDNKJQTMFJ-UHFFFAOYSA-N 413.525 5.136 0 40 HKAB CCOc1ccccc1NC(=O)c1c(NC(=O)C(C)(C)C)sc2c1CC[C@@H](C)C2 4501631 BPVDJOZWUCIYIM-CQSZACIVSA-N 414.571 5.509 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)c1 4550975 JKSCRHHBMAXBEY-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB COc1ccc(CN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)C2CC2)cc1 5008025 ACGQWXVHYBNEME-UHFFFAOYSA-N 408.929 5.452 0 40 HKAB CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1ccc(N2CCC(C)CC2)cc1 5009319 JQBPOJKRSDEHKH-UHFFFAOYSA-N 423.944 6.045 0 40 HKAB Cc1ccccc1Nc1nc(-c2ccc(Oc3ccccc3)cc2)c(CC(=O)O)s1 5023166 FDDHZFRBIFDSQB-UHFFFAOYSA-N 416.502 6.282 0 40 HKAB COc1ccccc1[C@@]1(O)C[C@@H](c2ccc(C)cc2)N[C@@H](c2ccc(C)cc2)[C@H]1C 5025073 VXHVUKKYMOSWJM-YEOGNCHCSA-N 401.550 5.612 0 40 HKAB Cc1c(NC(=S)NC(=O)Cc2ccccc2)cccc1-c1nc2ccccc2s1 5658714 LPUNPSPLWBZRAM-UHFFFAOYSA-N 417.559 5.327 0 40 HKAB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C(C)C)cc4)cc3n2)cc1 5961184 FXCKPJVGFJZTPB-UHFFFAOYSA-N 400.482 5.113 0 40 HKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)Nc1ccc(F)cc1 6648909 SNIMBVYRMCMKLR-UHFFFAOYSA-N 407.445 5.306 0 40 HKAB COc1ccc(OCCCSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1 7790960 JNHCAZFBAAWCQO-UHFFFAOYSA-N 420.538 5.331 0 40 HKAB O=C(c1cccc(Br)c1)N1CCc2sccc2[C@H]1c1cccs1 7947033 QRSWEQJLWRXMHW-KRWDZBQOSA-N 404.354 5.360 0 40 HKAB CCc1ccc(NC(=O)COc2ccc(C(=S)N3CCCCC3)cc2Cl)cc1 8086105 FTMKUZSILPTQBL-UHFFFAOYSA-N 416.974 5.081 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)[C@@H](C)CC[C@]4(C)[C@@H]3CC[C@@]12C 8298453 GWWAUGFEXKPHIM-VQPMQMTCSA-N 401.723 7.790 0 40 HKAB O=C(CSc1ccc2c(c1)OCCCO2)Nc1c(Cl)cccc1C(F)(F)F 8705759 VKYCQRPCWJMZCX-UHFFFAOYSA-N 417.836 5.251 0 40 HKAB CCCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(F)cc2)n(C)c2ccccc12 9355553 RZVFJSYGDXEDFC-AREMUKBSSA-N 412.508 6.330 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 9391589 MYFXKVZFYHTZGJ-UHFFFAOYSA-N 420.321 5.187 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 9426159 XCDXDMSRFCQOCD-UHFFFAOYSA-N 424.909 5.886 0 40 HKAB Cc1cc(NC(=O)c2c(C)nc3sc4c(c3c2-c2ccco2)CC[C@H](C)C4)no1 11122792 QOTULEMROCJEDG-NSHDSACASA-N 407.495 5.538 0 40 HKAB CCc1ccc(NC(=O)c2nnn(-c3ccc4noc(-c5ccccc5)c4c3)c2C)cc1 11689932 IBSUWIAUTLRQJR-UHFFFAOYSA-N 423.476 5.199 0 40 HKAB COc1ccc(-c2c(C)c3cc(OC(=O)C4CCCCC4)ccc3oc2=O)cc1OC 11866206 GFYAQVTZGJRYMC-UHFFFAOYSA-N 422.477 5.271 0 40 HKAB biogenic Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)Nc3ccc4ccccc4n3)cc12 12540224 KRJBVXXJGDTQGD-UHFFFAOYSA-N 418.909 5.849 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1Cl)c1cncc(Br)c1 12768462 DNSHXCLERZZECZ-UHFFFAOYSA-N 403.663 5.542 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCCN1C(=O)c1cccs1 12787351 DERKIMTVSJSMJQ-FQEVSTJZSA-N 406.507 5.174 0 40 HKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cc(Cl)c2c(c1)OCCO2 13068293 CRGHSFPWHRAAIB-UHFFFAOYSA-N 422.893 5.640 0 40 HKAB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 13946152 OTGONWIPARWFAG-JQIJEIRASA-N 420.468 6.715 0 40 HKAB COCCN(Cc1cccs1)c1ncnc2scc(-c3ccc(OC)cc3)c12 14246135 VQCKKOYMMFYRMX-UHFFFAOYSA-N 411.552 5.081 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccccc2)cc1 14609535 QQLLNLYQKFYYLY-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CC[C@H](C(=O)Nc1ccc(NC(=O)[C@H](CC)c2ccccc2)cc1)c1ccccc1 16121813 SFENWLVHVDXZET-PSWAGMNNSA-N 400.522 5.951 0 40 HKAB CC(=O)C[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 16757925 IZTQXHAPWWZDEK-MRXNPFEDSA-N 421.953 6.201 0 40 HKAB COc1ccccc1Cc1cc(C)nc(C2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1 19691877 ZCIZDAWAIMIVCZ-HXUWFJFHSA-N 404.554 5.052 0 40 HKAB COC(=O)c1ccc(Cl)c(NC(=O)CCc2sc(C)nc2-c2cccs2)c1 19819528 PSYZVZGHQZVQEF-UHFFFAOYSA-N 420.943 5.191 0 40 HKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20108342 MLNADBBMFXXMPG-XMMPIXPASA-N 400.522 6.227 0 40 HKAB CC(=O)C[C@H](c1ccccc1)c1c(O)c2cc(OCc3ccccc3)ccc2oc1=O 22051440 ZYPCRNWFEICXBH-OAQYLSRUSA-N 414.457 5.189 0 40 HKAB in-vitro Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NCc1ccc(Cl)cc1Cl 22245699 BSSQYBRNQPROKD-UHFFFAOYSA-N 410.301 5.571 0 40 HKAB CCCCOc1ccc(NC(=O)c2oc3ccc(CC)cc3c2C)c2cccnc12 32622559 IMLZGSNNDCMYLD-UHFFFAOYSA-N 402.494 6.283 0 40 HKAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OC 32895196 SITXDMZZVZWNQS-KDOFPFPSSA-N 405.947 5.202 0 40 HKAB Fc1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 36056437 RBXLXPAHENRLEG-MHCOWZRKSA-N 400.472 6.766 0 40 HKAB O=C(/C=C/c1ccco1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 38205023 FBACXHMGPAJOMQ-OZSJSUFWSA-N 408.501 6.116 0 40 HKAB C[C@H](Cc1cccc(Cl)c1)NC(=O)c1ccccc1SCc1cscn1 40112953 PSDQLHQQJCLVDY-CQSZACIVSA-N 402.972 5.450 0 40 HKAB Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)NCc1ccc(F)cc1 40114695 UBWCULHPLRCUAV-UHFFFAOYSA-N 420.868 5.170 0 40 HKAB CC(C)(C)[C@H](NCn1nc(-c2cccs2)n(C2CC2)c1=S)c1cccs1 40155517 CANMQCVHKNPSDF-MRXNPFEDSA-N 404.630 5.873 0 40 HKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1cccc(Cl)c1 40488429 DQELYSJFWVGDLV-UHFFFAOYSA-N 420.921 6.393 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCCCCC2)cc1 44855708 TZIGBAXAXOFDTP-HSZRJFAPSA-N 422.569 5.103 0 40 HKAB CCOc1ccc(-n2cc(-c3nc(-c4cccc(C)c4)no3)c3ccccc3c2=O)cc1 67245208 UOSLJMQQISDKOA-UHFFFAOYSA-N 423.472 5.415 0 40 HKAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccccc1Br 72229858 VPYUXAINVRQBNY-LJQANCHMSA-N 416.702 5.437 0 40 HKAB COC(=O)/C=C/c1cc(Br)c(-c2ccc(Br)cc2Cl)o1 73638305 NQWGXDWSEYZIHQ-HWKANZROSA-N 420.484 5.311 0 40 HKAB CC(=O)c1ccc2[nH]c(C)c(CN(Cc3ccccc3)Cc3ccccc3)c(=O)c2c1 96300413 BKPADGNJUZYEAC-UHFFFAOYSA-N 410.517 5.242 0 40 HKAB BrC1=C(Br)C2(SCCS2)[C@H]2C[C@H]1c1ccccc12 103843239 RHKMQBSXYARXQX-QWRGUYRKSA-N 404.192 5.449 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 219349709 KPGXGPXYBWTOJZ-GOTSBHOMSA-N 403.522 5.724 0 40 HKAB Fc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 223107703 VRYAUFKJTOFCNV-GOTSBHOMSA-N 420.557 5.317 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)C2CCN(Cc3ccccc3C)CC2)c2ccccc2O1 223112802 OOSGANSPZXRJPQ-XMMPIXPASA-N 420.597 5.406 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1Cc1ccccc1 223378732 OZOKMXMFIVMYBV-DHIUTWEWSA-N 402.567 5.171 0 40 HKAB COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1cccc(C)c1 224110447 RZKMRPUPCPQNAD-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 224202849 CKHPATVQEKVOTE-LBPRGKRZSA-N 422.000 5.603 0 40 HKAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 224878692 NNASLMHYOLPYKN-OALUTQOASA-N 401.934 5.696 0 40 HKAB O=C(c1ccccc1C(F)(F)F)N1CCS[C@H](c2cc(F)ccc2F)CC1 225743188 OXYDOWAOCJSVDV-KRWDZBQOSA-N 401.400 5.304 0 40 HKAB Cc1ccc(-c2nnc3sc(C4=CCN(Cc5ccccc5Cl)CC4)nn23)cc1 226250630 GCTYCNOXZAVBAA-UHFFFAOYSA-N 421.957 5.104 0 40 HKAB CCc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@@H](C)[C@H]4C)ccc32)c1-c1ccccc1 253564882 HARLZKCNLRHXDY-CBGDNZLLSA-N 400.526 5.271 0 40 HKAB CCCCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccc(F)cc2)n(CC(C)C)n1 257322598 WGQCYYMYXQROMO-UHFFFAOYSA-N 424.516 5.818 0 40 HKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CC3CCCC3)CC2)n1 257335977 YMQHTOLNLJGGRJ-AQYVVDRMSA-N 420.601 5.632 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Br)c(C)c2)cc1OC 408617340 BWVYLEBNLKCETG-UHFFFAOYSA-N 412.711 5.461 0 40 HKAB O=C(NCc1ccccc1)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 408691981 AKWLWSHHAIRXFU-UHFFFAOYSA-N 423.303 5.171 0 40 HKAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCC 408812737 NSVJNTNXDDLQCO-ATVHPVEESA-N 403.887 5.378 0 40 HKAB COc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2F)cc1 409111381 IMPVQWSCVXOQQM-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB O=C(c1cc2cccc(F)c2[nH]1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 2037846593 SKUNNGRSICJQDP-OAQYLSRUSA-N 421.447 5.392 0 40 HKAB c1ccc(CSc2nc(SCc3nc4ccccc4[nH]3)c3ccccc3n2)cc1 1000808 AQLOUMPJIKHTQU-UHFFFAOYSA-N 414.559 6.091 0 40 HKAB COc1cccc(C2(c3cccc(OC)c3)C[C@H]2C(=O)Nc2ccc(C)c(C)c2)c1 1064238 QKDNDCHAXBJDJA-DEOSSOPVSA-N 401.506 5.265 0 40 HKAB COc1ccc(NC(=O)Cc2sc(-c3ccccc3)nc2-c2ccccc2)cc1 1388774 PXGKTLWCPXDHGY-UHFFFAOYSA-N 400.503 5.667 0 40 HKAB CC(C)Oc1ccc([C@@H](CCN[C@@H](C)c2ccc(Cl)cc2)c2ccccc2)cc1 1818140 FSUDPOHGCXEWQQ-FNZWTVRRSA-N 407.985 7.000 0 40 HKAB biogenic Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cc(C)cc23)c(C)c1 2079793 RCKROUYASHWYBB-UHFFFAOYSA-N 414.936 7.041 0 40 HKAB CCCCSc1nc2c(c(=O)n1C1CCCC1)C1(CCCC1)Cc1ccccc1-2 2081941 DAIWBSXQECOLGN-UHFFFAOYSA-N 408.611 6.286 0 40 HKAB biogenic COC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CCCCCC2 2086420 MQOGHLRRDLCBGM-UHFFFAOYSA-N 419.546 6.113 0 40 HKAB CCCCCCc1c(C)c2cc3c(-c4ccc(Cl)cc4)coc3c(C)c2oc1=O 2206046 LENCXZJJRALQSJ-UHFFFAOYSA-N 408.925 7.599 0 40 HKAB Nc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)sc2nc(-c3ccco3)ccc12 2238201 AVRBHSFSLHDQTB-UHFFFAOYSA-N 404.278 5.698 0 40 HKAB C[C@H]1CCc2c(sc3ncnc(Sc4ncc(C(F)(F)F)cc4Cl)c23)C1 2644343 AEQGGEPIAOPGMC-QMMMGPOBSA-N 415.893 6.035 0 40 HKAB O=C(OCc1cccc(C(F)(F)F)c1)c1ccccc1C(=O)c1ccc(Cl)cc1 3279106 RJZSJEDTLSEYSK-UHFFFAOYSA-N 418.798 5.947 0 40 HKAB O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccccc1C(F)(F)F 3311198 MKMFPPVPJXKCQO-UHFFFAOYSA-N 415.367 5.293 0 40 HKAB CCOc1ccc(-c2nnc(NC(=O)CC(c3ccccc3)c3ccccc3)o2)cc1 3422496 RELLHHYHIZTERA-UHFFFAOYSA-N 413.477 5.296 0 40 HKAB Cc1cc(OCCn2cc(C(=S)N3CCCCC3)c3ccccc32)ccc1Cl 3644738 JESIUQJBBVCUFI-UHFFFAOYSA-N 412.986 5.844 0 40 HKAB CCCCN(CCCC)Cc1cn2c(-c3ccc(Br)cc3)nnc2s1 4107099 YCWPGSOEVYKEEZ-UHFFFAOYSA-N 421.408 5.623 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(-c2ccccc2)cc1 4109848 CGVPKYJOHRYIOW-UHFFFAOYSA-N 424.466 6.615 0 40 HKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)NC3CCCCC3)cc12 4231258 BTXKFSORHQJLET-UHFFFAOYSA-N 417.553 5.189 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 4318140 NUZYBGYRLCAZCB-SFGWALBWSA-N 421.537 5.220 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 4318143 NUZYBGYRLCAZCB-ZWCUEREDSA-N 421.537 5.220 0 40 HKAB CC(C)c1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-n2cccc2)cc1 4518662 IOTSTHGXJANTGB-UHFFFAOYSA-N 423.586 5.293 0 40 HKAB C[C@@H]1CCc2c(sc(NC(=O)C(C)(C)C)c2C(=O)Nc2cccc3ccccc23)C1 4568500 JVUZAPSCQWZBID-OAHLLOKOSA-N 420.578 6.263 0 40 HKAB CCC(=O)Nc1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2CC)cc1 4682102 JUUORDOYCNVJPY-UHFFFAOYSA-N 400.935 5.259 0 40 HKAB Cc1ccccc1Nc1c(-c2ccc(N3CCOCC3)cc2)nc2ccc(Cl)cn12 4733807 QYUKRDYQAFHWFV-UHFFFAOYSA-N 418.928 5.543 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(C)cc(C)c2)cc1 5021688 PSABISUQIHWTTP-UHFFFAOYSA-N 418.522 5.099 0 40 HKAB O=C(c1ccco1)N1CCCc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21 5099379 MANWIKYTEPHEKS-UHFFFAOYSA-N 404.510 5.028 0 40 HKAB Cc1ccc(NCN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)C2=O)c(C)c1 5362691 IWIMKLZEWQNPCO-RQZCQDPDSA-N 407.322 5.716 0 40 HKAB Cc1cc(I)ccc1NC(=O)CC12CC3CC(CC(C3)C1)C2 6053506 VELVVMMRSIHIGH-UHFFFAOYSA-N 409.311 5.145 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2)cc1 6078921 QMEAPMNDTURBFG-UHFFFAOYSA-N 400.478 5.008 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3[nH]c(=S)n(-c4ccccc4OC)c(=O)c23)C1 6496790 CJCABPRSJBSCBX-CYBMUJFWSA-N 414.596 5.659 0 40 HKAB COc1ccccc1-n1c(SCc2ccccc2Cl)nc2ccccc2c1=O 6584560 XBVJIUSEIALKRD-UHFFFAOYSA-N 408.910 5.340 0 40 HKAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)c1 7882259 KWSKITOPXUWWRP-LJQANCHMSA-N 400.478 5.087 0 40 HKAB O=C(c1csc(-c2ccccc2)n1)N1CCCC[C@@H]1c1nc2ccccc2s1 8231422 MUUYQGHJHMIZLR-GOSISDBHSA-N 405.548 5.787 0 40 HKAB Cc1ccc(C)c(OCCSc2nc3ccccc3c(=O)n2-c2ccccc2)c1 8370849 NUOGZKFOSFSGHB-UHFFFAOYSA-N 402.519 5.174 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)cc1OC 8591104 GIFGFWQCEXOFTP-UHFFFAOYSA-N 420.490 5.247 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)cc1 8903840 FLRKGRQRSGFKHE-UHFFFAOYSA-N 418.449 5.163 0 40 HKAB COCCn1c(Cc2ccccc2)nnc1SCc1cc2ccccc2nc1Cl 9254957 HXRWTCKSEVRVLX-UHFFFAOYSA-N 424.957 5.009 0 40 HKAB COc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2cccc(C)c2)cc1 9308383 GGMVUZQDWOEOPP-UHFFFAOYSA-N 421.953 6.197 0 40 HKAB CCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2cccc(OC)c2)n(C)c2ccccc12 9426303 RWZMWQMKUKNRON-AREMUKBSSA-N 410.517 5.809 0 40 HKAB Cc1nc(-c2cccc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)c2)cs1 9497696 SOGLRDUKSKNZOI-UHFFFAOYSA-N 419.531 5.685 0 40 HKAB Cc1cc(C)n(-c2nc3cc(Cl)ccc3nc2Sc2nc3ccccc3s2)n1 9605444 MTUCSOPBMURPOV-UHFFFAOYSA-N 423.954 5.847 0 40 HKAB CC(=O)c1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 9683255 RFUPWQFSWBJJOY-OAQYLSRUSA-N 403.869 5.794 0 40 HKAB CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc1 10272311 VIELWYIXEODCTJ-NSLJLKJKSA-N 405.626 6.748 0 40 HKAB O=C1C[C@@H](c2ccc(Cl)c(Cl)c2)c2sc(C(=O)O)c(-c3ccccc3)c2N1 12376926 BXFWBHVRGQEMBT-LBPRGKRZSA-N 418.301 5.894 0 40 HKAB O=C(c1cccs1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2nccnc2c1 12420900 HXAKDTDQOKEGSX-HXUWFJFHSA-N 418.909 5.336 0 40 HKAB CCOc1ccc(CN(CCCn2ccnc2)C(=O)Nc2cccc(Cl)c2)cc1 12520677 GMQGMWPIYGQCNI-UHFFFAOYSA-N 412.921 5.060 0 40 HKAB CCc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN23)cc1 12575848 FLNVIAFLZZMIIR-GJZUVCINSA-N 412.489 5.263 0 40 HKAB Cc1occc1-c1nnc(S[C@H](C)C(=O)N2[C@H](C)CCC[C@H]2C)n1-c1ccccc1 12598919 HXTAHZCYGKCMSJ-JFIYKMOQSA-N 424.570 5.106 0 40 HKAB Cc1ccc([C@H](NC(=O)c2ccccc2NC(=O)c2ccco2)c2ccccc2)cc1 12599706 NEJDHYHBCOLDPS-XMMPIXPASA-N 410.473 5.360 0 40 HKAB C[C@H](N[C@H](C)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1-c1ccccc1 12918880 GHBMLWWGWMINFP-SJORKVTESA-N 412.455 6.050 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(-c2nc3ccccc3[nH]2)s1)c1cccs1 12970996 WNLWXRGWUTZBPG-UHFFFAOYSA-N 402.504 5.667 0 40 HKAB O=c1oc2ccc(Br)cc2cc1-c1csc(Nc2cccc(F)c2)n1 13943054 SDOMSYJDDOAOIF-UHFFFAOYSA-N 417.259 5.562 0 40 HKAB CC(C)C(=O)Nc1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1 16016969 CGQXLANKZBDIKB-UHFFFAOYSA-N 418.562 5.742 0 40 HKAB CCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)c1 16751994 TWTKRZTUVGIGTL-JOCHJYFZSA-N 405.494 5.317 0 40 HKAB Brc1cccc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)c1 19318863 XUKHRBCWPSRRPU-UHFFFAOYSA-N 421.382 5.856 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 20451810 JNEMURHYIZWYFQ-LJQANCHMSA-N 423.534 5.363 0 40 HKAB COC(=O)c1c(NC(=O)c2sc(C)nc2C)sc2c1CC[C@H](C(C)(C)C)C2 28540157 CCZQALKNNKHLKF-LBPRGKRZSA-N 406.573 5.011 0 40 HKAB CCCCc1ccc2nc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)sc2c1 32118907 PDKRXNSBPCLKSE-UHFFFAOYSA-N 410.926 6.805 0 40 HKAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1 32623001 VODLDPRUZWXQLD-CQSZACIVSA-N 421.403 5.088 0 40 HKAB COc1ccc(-c2noc(-c3cccnc3N[C@H](C)c3ccc(Cl)cc3)n2)cc1 33004406 ZZWWPIXLFNIHPS-CQSZACIVSA-N 406.873 5.634 0 40 HKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 35264082 KYEJEDDPNSMBLE-MRXNPFEDSA-N 422.912 6.022 0 40 HKAB C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1Cc1c2nc2ccccc2c1C(=O)O 38138640 ACZYWQWUZBYEPB-NRJXTPLFSA-N 417.549 5.270 0 40 HKAB CC(C)Oc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 38752190 IOXGAVZYISBNKB-UHFFFAOYSA-N 407.535 5.897 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N(Cc1ccco1)c1ccc(C)cc1 39994094 YCSQPQGHFYOTCW-DEOSSOPVSA-N 400.478 5.085 0 40 HKAB Cc1ccccc1Cn1c(SCC(=O)Nc2cc(F)ccc2F)nc2ccccc21 41076838 NZXWPOGPMICESS-UHFFFAOYSA-N 423.488 5.402 0 40 HKAB O=C(O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 44197632 GVVBQAUUPFWYCV-QHCPKHFHSA-N 401.462 5.131 0 40 HKAB CCSc1ccccc1NC(=O)COc1ccc(Br)cc1Cl 44842396 GSVYHUVEIPMUNN-UHFFFAOYSA-N 400.725 5.232 0 40 HKAB CCOc1ccc(Nc2c(C(=O)N3CCCC[C@H]3CC)cnc3nc(C)ccc23)cc1 49005073 QXJGPMOFWGHRGZ-LJQANCHMSA-N 418.541 5.485 0 40 HKAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2ccc(Cl)cc2)[nH]n1 57412075 QZLLVKOUJAABAF-UHFFFAOYSA-N 401.853 5.213 0 40 HKAB CCCN1CCCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CCCCC1 72215761 UEQJOQSZGLGWOZ-NRFANRHFSA-N 401.595 6.093 0 40 HKAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4ccc(C)c(Cl)c4)c(C)c3s2)n1 72228653 XZTNFNGYGDHWAB-UHFFFAOYSA-N 424.957 5.930 0 40 HKAB Clc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c(Cl)c1 73639952 SGZAMQDXWWAZKX-UHFFFAOYSA-N 419.105 7.231 0 40 HKAB O=C(Nc1ccc(F)cc1)O[C@@H]1CCC[C@H](NC(=O)c2ccccc2C(F)(F)F)C1 77200298 MYEUCUCLMUZOEB-JKSUJKDBSA-N 424.394 5.134 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219387367 YOTTZOMBCSOGEQ-ICSRJNTNSA-N 403.975 5.938 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)N1CCS[C@H](c2cccs2)CC1 219483919 QLRKBSFSVVNZKE-INIZCTEOSA-N 402.368 5.141 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1C(C)C 223331760 QDIWBHOJTRCSKH-MOPGFXCFSA-N 405.538 5.925 0 40 HKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 224331534 NFMSGLKQSBLFCO-RPWUZVMVSA-N 416.594 5.738 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccccc1Cl 224476897 NHMABNPTGXXFTE-UHFFFAOYSA-N 423.940 6.693 0 40 HKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)N1CCCCCC1 224975201 ACRCXUJMUGFQOF-UHFFFAOYSA-N 412.533 5.551 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccc2c(c1)OCC1(CC1)CO2 225367566 JDDNULYJSFTOMJ-UHFFFAOYSA-N 403.503 5.642 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCN3CCC(C)CC3)cc2)CCC(C)CC1 225668628 CTFAUPBERXCXOZ-UHFFFAOYSA-N 416.606 5.111 0 40 HKAB Cc1ccc(NC(=O)CCc2nc(-c3ccc(Br)cc3)no2)cc1Cl 225819015 FVIJPAKJRQWOSE-UHFFFAOYSA-N 420.694 5.032 0 40 HKAB S=C(Nc1ccc(Br)cc1)NC1(c2ccccc2Cl)CCCC1 225846122 IPMAUVGFYZLZDK-UHFFFAOYSA-N 409.780 5.858 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC)c(C(=O)OCC)c1 225847996 KORCWSLVLOSJEY-QHCPKHFHSA-N 407.551 5.356 0 40 HKAB O=C(c1ccc2ccccc2n1)N1CCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257269995 MSHZCRPZDSOAQO-QFIPXVFZSA-N 417.896 5.444 0 40 HKAB CCCN1C(=O)S/C(=C\c2ccc(OCc3c(F)cccc3Cl)cc2)C1=O 408605828 YWMAVCUDAAWDLK-WQRHYEAKSA-N 405.878 5.504 0 40 HKAB COc1c(F)c(F)c(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)c(F)c1F 408624019 WMSCUISLRYZAGQ-UHFFFAOYSA-N 404.772 5.075 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(Cl)cc2)c1 408698617 OREFWZKJLVWFQU-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccc(Cl)cc1 409111915 ABMAENATRSJPTG-MOSHPQCFSA-N 405.881 5.810 0 40 HKAB Cc1ccc(COc2ccc(CNc3ccc(C)c(C)c3)cc2Br)cc1 409112895 MHAUQEQRTVBEQB-UHFFFAOYSA-N 410.355 6.565 0 40 HKAB Fc1ccc(NCc2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1 409207484 VAWQWMXWVGHNOK-UHFFFAOYSA-N 407.488 7.323 0 40 HKAB CCCCN1CCOc2ccccc2CCCCC2(CCN(C(=O)C(C)C)CC2)C1 643589375 WOPBLNPWBFWORD-UHFFFAOYSA-N 414.634 5.159 0 40 HKAB CC(C)OC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1 719546 VMIHFBXNSJVCEU-INIZCTEOSA-N 418.445 5.457 0 40 HKAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)N1CCc2ccccc2C1 924431 DCQVDBLFVOYXED-UHFFFAOYSA-N 417.559 5.035 0 40 HKAB COc1ccccc1NC(=O)CSc1nc(C2CCCCC2)nc2ccccc12 1376428 HQZNJAVIIZXIOI-UHFFFAOYSA-N 407.539 5.417 0 40 HKAB C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)N4CCC[C@@H](C)C4)c23)C1 1377307 OCBAZNYGUBKXCO-ZIAGYGMSSA-N 415.628 5.044 0 40 HKAB CC[C@@]1(C)Cc2c(sc3nc(SCc4ccc(Cl)cc4)nc(N)c23)CO1 2232255 UVJSLEYKNXMHIP-IBGZPJMESA-N 405.976 5.461 0 40 HKAB C[C@@H](NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1)c1ccccc1 2290596 ROTRGOQGNCWQAS-OAHLLOKOSA-N 422.248 6.910 0 40 HKAB Cc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccccc2Cl)cc1 2444758 QGVQFOGBKJFKBL-UHFFFAOYSA-N 409.917 6.328 0 40 HKAB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1ccc(Cl)cc1F 2629948 JCFQQJNIOFYRHR-GXDHUFHOSA-N 421.902 5.325 0 40 HKAB CCCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 2645726 TXXHZTWURVMQLT-UHFFFAOYSA-N 403.504 5.011 0 40 HKAB Cc1cc(N2C(=O)c3ccc(Oc4ccccc4)cc3C2=O)ccc1Br 3009624 PAJSLOXSXZVFKE-UHFFFAOYSA-N 408.251 5.350 0 40 HKAB Cc1cccc(NC(=O)c2sccc2SCc2c(Cl)cccc2Cl)c1 3047297 DCPZKIGOBSCWLN-UHFFFAOYSA-N 408.375 6.908 0 40 HKAB O=C(OC[C@@H]1CCCO1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 3287240 QMUBIKZQHGGVTA-INIZCTEOSA-N 412.283 5.000 0 40 HKAB CC[C@@H]1CCCCN1C(=O)CSc1nc(C2CC2)nc2sc3c(c12)CCCC3 4217321 DMKIZNBZSAELLL-OAHLLOKOSA-N 415.628 5.331 0 40 HKAB CC(=O)c1ccc(OCCCCCCCCCCOc2ccc(C(C)=O)cc2)cc1 4321554 JGGVSXLZRLFKAN-UHFFFAOYSA-N 410.554 6.670 0 40 HKAB O=C(N/N=C/c1ccccc1Br)C1[C@H]2CCC=CCCC=CCC[C@H]12 4380337 CXSVWIBMCMBREG-RXCOCCLISA-N 401.348 5.228 0 40 HKAB CCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1 4731474 OBPWWVJCTZVVPA-JOCHJYFZSA-N 405.498 5.066 0 40 HKAB CCCC[C@H](CC)CNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 4742898 VMRWVBSYVSRYBQ-AVRWGWEMSA-N 417.553 5.046 0 40 HKAB O=C(Nc1ccccc1N1CCCCC1)c1ccc(-c2cc(Cl)ccc2Cl)o1 5067074 BBUIETMRIMQUNV-UHFFFAOYSA-N 415.320 6.496 0 40 HKAB Cc1ccccc1C(=O)Nc1c(-c2cccc(Cl)c2)c(=O)c2ccccc2n1C 5321996 FIBATXZPPCPZLU-UHFFFAOYSA-N 402.881 5.420 0 40 HKAB CCc1cccc2c(C(=O)COC(=O)c3ncc(Cl)c(Cl)c3Cl)c[nH]c12 5359008 IAOQHYQBUKFOGD-UHFFFAOYSA-N 411.672 5.125 0 40 HKAB O=C(c1ccccc1)c1ccc(Oc2ccc(Cl)cc2NC(=O)C2CCC2)cc1 6268936 DWMJZXMDXLQVJY-UHFFFAOYSA-N 405.881 6.102 0 40 HKAB COc1ccc2c(CC(=O)OCc3cc(=O)oc4cc(C)c(C(C)C)cc34)coc2c1 6582129 LYTAXOTYHBNSQW-UHFFFAOYSA-N 420.461 5.266 0 40 HKAB COc1ccc(Oc2cncnc2-c2ccc(OCc3ccccc3C)cc2O)cc1 6719977 KXDYSLYNLVSJEK-UHFFFAOYSA-N 414.461 5.538 0 40 HKAB biogenic Cc1ccc(Cn2cc(C(=O)N[C@H](C)c3ccccn3)c(-c3ccc(C)cc3)n2)cc1 6822310 OQJDEBUEUHGLHP-HXUWFJFHSA-N 410.521 5.101 0 40 HKAB O=C(c1cccc2ccccc12)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 6886057 FNAGPFSBJGNDRI-UHFFFAOYSA-N 414.452 5.604 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1 7389811 RSSVJLKCTPVANT-KRWDZBQOSA-N 415.493 5.099 0 40 HKAB Cc1noc(C)c1CCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 7777511 YQHBRNJSNCASIG-UHFFFAOYSA-N 415.287 5.418 0 40 HKAB COc1ccc(C(=O)N2CC[C@@]3(Cl)CCCC[C@H]3[C@@H]2c2ccccc2)cc1OC 8209451 JKAIHNBLNWWOSE-APTRMMRNSA-N 413.945 5.459 0 40 HKAB O=c1c2[nH]c3ccccc3c2nc(SCc2ccccc2F)n1-c1ccc(F)cc1 8601037 QRKVNKMWRPHMJL-UHFFFAOYSA-N 419.456 5.438 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 10314653 KXZCFGMDMMAFTH-UHFFFAOYSA-N 422.550 5.173 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cc3C)c2)cc1 10314851 BSAFLDYLFLXRCK-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1nc2c(F)cc(F)cc2s1 11807738 SPCPMSRSAMFTGM-UHFFFAOYSA-N 419.840 5.454 0 40 HKAB CCCCOc1ccc([C@@H](O)CCCC[C@@H](O)c2ccc(OCCCC)cc2)cc1 13475726 OLBQEBCWCIGCCI-WMPKNSHKSA-N 414.586 6.372 0 40 HKAB CC1(C)C[C@@]2(CCO1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 13645105 AVZYOQDMLQOKRW-LEAFIULHSA-N 424.544 6.182 0 40 HKAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc2c(s1)CCCCC2 15001476 ZARHSESVLWULSK-UHFFFAOYSA-N 424.488 5.137 0 40 HKAB Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2c1[C@@H](c1cccc(O)c1)CC(=O)N2 15107549 BDPBOMYIAQEFAC-MRXNPFEDSA-N 412.898 5.142 0 40 HKAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccc(OCC(C)C)c1 16575364 OWMJWLWSQAMNFZ-UHFFFAOYSA-N 417.465 5.186 0 40 HKAB O=C(CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)c1ccccc1 16757626 RAWRLGKEKIMPMG-UHFFFAOYSA-N 421.525 6.063 0 40 HKAB CCc1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)(C)C)c3)nc2c1 17090450 SBPBFHWUHOOKTQ-UHFFFAOYSA-N 415.946 5.570 0 40 HKAB COc1cc(NC(=O)C(c2ccccc2)c2ccccc2)ccc1-c1ccc(CO)o1 20137079 KUWOGAXKWVOVIM-UHFFFAOYSA-N 413.473 5.218 0 40 HKAB COc1ccccc1-c1nc2c3c(C)c(C)n(-c4ccccc4Cl)c3ncn2n1 21801774 UQQQCRQQEFXGKB-UHFFFAOYSA-N 403.873 5.014 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cccnc1Nc1ccc(Br)cc1 22072282 TYQODZXGUXAMBB-UHFFFAOYSA-N 402.679 5.493 0 40 HKAB Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCCC3)c(C)c2cc1C 28287947 IVQNQZABCCSIFC-QFIPXVFZSA-N 424.972 5.968 0 40 HKAB CC(C)COc1ccc(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)cc1 28288668 NVZRLHHXYUJGPJ-RUZDIDTESA-N 422.613 5.586 0 40 HKAB COc1ccc(NC(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)cc1Cl 32117831 YMXPEMLINYCODU-UHFFFAOYSA-N 415.824 5.120 0 40 HKAB CSc1ccc(Cl)c(C(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c1 32983113 PBBSWXYNMUAAHP-GOSISDBHSA-N 409.020 5.326 0 40 HKAB Cc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 35671736 KCZDDXBFOQRMHS-UHFFFAOYSA-N 413.502 5.623 0 40 HKAB O=C(NCCSCc1ccsc1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 36396865 HYQSGVULCLPJAC-IRXDYDNUSA-N 414.621 5.457 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 36446957 JGSALTHINICRFQ-HXUWFJFHSA-N 402.972 5.358 0 40 HKAB Cc1cc(Br)c(O)c(/C=N/c2ccc3nc(-c4ccc(F)cc4)[nH]c3c2)c1 38176079 XBFUWZXNXMHPNP-BHGWPJFGSA-N 424.273 5.896 0 40 HKAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2ccccc2C(F)(F)F)c1OC 40286439 XXBCYJOEBPVHMV-ZDUSSCGKSA-N 417.387 5.032 0 40 HKAB CCOc1ccc(-c2csc3c(=O)n(Cc4ccccc4C)cnc23)cc1OCC 44167028 CPYFEVHHRHDDMP-UHFFFAOYSA-N 420.534 5.279 0 40 HKAB CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccccc2C(C)C)C1 44803600 DOXFOEUJDHXLRI-GOSISDBHSA-N 418.541 5.007 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2cccc(C)c2C)sc2c1CCCC2 44902925 NNJHMUORUFLJOV-KRWDZBQOSA-N 415.555 5.217 0 40 HKAB CCOc1cccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 44911268 FQRYAIXZQRECRK-UHFFFAOYSA-N 407.341 5.243 0 40 HKAB Cc1c(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)n(-c2ccccc2)n1C 48149663 PVYCFUSOACVTOI-UHFFFAOYSA-N 415.337 5.266 0 40 HKAB CCOc1c(Cl)cc(C(=O)N(Cc2cccnc2)Cc2ccccc2C)cc1OC 48313292 WKLDTQJFSJKJHX-UHFFFAOYSA-N 424.928 5.293 0 40 HKAB CC(=O)N(c1nc(CSc2nc(C)c(C)o2)cs1)c1c(C)cc(C)cc1Cl 70011239 JYKPAKDKTZZVKP-UHFFFAOYSA-N 421.975 5.995 0 40 HKAB CN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1ccc(F)c(F)c1 72023495 IHTMMZWLGUYCHI-UHFFFAOYSA-N 415.749 5.099 0 40 HKAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1cccnc1OCc1ccccc1 72212109 BAGNMQYOXFUSMA-QHCPKHFHSA-N 402.494 5.524 0 40 HKAB O=C(c1cc(-c2cccnc2)c(N2CCOCC2)s1)c1ccc(Cl)cc1Cl 85430289 BGBHEGVGSOATFV-UHFFFAOYSA-N 419.333 5.185 0 40 HKAB COc1ccc2nc(Cl)c([C@@H]3CC(c4cccc(Cl)c4)=NN3C(C)=O)cc2c1 89930414 IWADUCOWMRKQKA-FQEVSTJZSA-N 414.292 5.248 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1 91695619 XQGBYJANZBXJPI-UHFFFAOYSA-N 411.210 6.327 0 40 HKAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N(C)Cc5cccc(OC)c5)(C4)C2)C3)cc1 100785635 DFRPFAIIEWIRAF-CUFNRJLSSA-N 419.565 5.200 0 40 HKAB Cc1ccc(C)c(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)c1 101092433 MNFFQNGWUOVDSE-HNAYVOBHSA-N 403.345 5.000 0 40 HKAB Cc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(C)n1-c1cccc(C(=O)O)c1 144216316 CCIJBZHUTDXEFH-MOSHPQCFSA-N 418.474 5.033 0 40 HKAB Cc1cc(OCC(=O)NCCSCc2ccc(Cl)cc2Cl)ccc1Cl 218936777 CKKXVNWQXYKFSF-UHFFFAOYSA-N 418.773 5.384 0 40 HKAB Cc1nc(-c2ccccc2)ncc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 222559249 OAXBLZVTHAKSAK-UHFFFAOYSA-N 415.880 6.150 0 40 HKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4cccc(Cl)c4C)o3)N21 222714237 VQNNUKFXRYRTJM-ITEAAPOESA-N 423.969 6.283 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2C)cc1COc1ccc(C(C)(C)C)cc1 224519569 RZNORQGHJOZPKQ-UHFFFAOYSA-N 417.549 6.523 0 40 HKAB S=C(NCCSc1ccccc1)Nc1ccc(CSc2ccccc2)cc1 225284576 WGPXRHSFHILMBS-UHFFFAOYSA-N 410.633 6.058 0 40 HKAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)cc2)n1 225289478 NOXHFHHBMWOUOP-SANMLTNESA-N 409.533 5.376 0 40 HKAB Cc1cc(NC(=O)c2cccc(OCc3ccccc3)c2)cc(Br)c1O 226243364 UYYSKSKZJYHHJG-UHFFFAOYSA-N 412.283 5.294 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(Br)cc2)cc1N1[C@@H](C)CCC[C@@H]1C 226330354 KJAHBJOKLSGVOP-GJZGRUSLSA-N 416.363 5.359 0 40 HKAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1Sc1ccccc1 408560336 OOWJENFCVJRTEK-UHFFFAOYSA-N 419.955 5.691 0 40 HKAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(Br)cc2C)cc1OCC 408568400 TWMMGVSOQUZILK-YRNVUSSQSA-N 418.331 5.597 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(Cl)ccc1OCc1ccccc1 408586679 OTUTZPNQWLIBPI-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc2)c1 408644296 SJGBZMHKDGAQCO-KRWDZBQOSA-N 420.896 5.432 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2cccc(C)c2C)c1 408695868 UHQARPKEBUDAQB-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(C)cc2C)c1 408697806 JSYNGVHRMJDNKS-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccccc2)c1 408699781 WFLFLHROXKKEKM-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB O=C(O)Cc1sc(Nc2ccc(Cl)c(Cl)c2)nc1-c1ccc(Cl)cc1 408890983 JODJCKMMRNLFRI-UHFFFAOYSA-N 413.713 6.141 0 40 HKAB C[C@H](Sc1ccccc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 408922034 DMBCTZKCUGJDTQ-ZDUSSCGKSA-N 400.396 5.524 0 40 HKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409375077 FGKZHGONCXYCLL-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1 409380796 IFLVVGGPRSMKLU-UHFFFAOYSA-N 422.550 5.227 0 40 HKAB CC(C)=CCC[C@]1(C)Oc2c(-c3ccc(C(=O)O)cc3)cccc2[C@@H]2O[C@H](C)CC[C@H]21 585265855 RXXYCAIZRDUWGU-BIIVWMMYSA-N 420.549 6.806 0 40 HKAB CC(C)c1ccc([C@H]2CC(=O)c3c(nc4c(cnn4-c4cccc(F)c4)c3N)C2)cc1 618256217 GAALAUUTIFLCCC-QGZVFWFLSA-N 414.484 5.178 0 40 HKAB Cc1nc2sc(C(=O)c3cccc(Br)c3)c(N)c2c2c1CCCC2 1242027 WGJJGZQDEMXPNO-UHFFFAOYSA-N 401.329 5.059 0 40 HKAB CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3OC)C3CCCC3)cc2c1 1327105 WHGHZLBZFGCGAI-UHFFFAOYSA-N 419.525 5.076 0 40 HKAB Cc1cc2nc(-c3ccc(SCC(=O)Nc4nc(C)c(C)s4)nc3)[nH]c2cc1C 1329743 QLUUZKSUDXTWSU-UHFFFAOYSA-N 423.567 5.046 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NC(=O)CCCc3ccccc3)c2)c1 2073553 IBWXEEXHZBSUCF-UHFFFAOYSA-N 420.940 6.171 0 40 HKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2ccc(C)cc2C)C4)cc1 2113449 MACIXVSAVDGYJZ-UHFFFAOYSA-N 413.473 5.442 0 40 HKAB biogenic CCCC(CCC)C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C(C)C)cc1)CC2=O 2228353 DPWVNXYWGVVYNS-HXUWFJFHSA-N 407.558 5.668 0 40 HKAB CC(C)Oc1ccc([C@@H](CCN2C(=O)c3ccccc3C2=O)Cc2ccccc2)cc1 2354348 MDSDLZUVKRBABI-QFIPXVFZSA-N 413.517 5.486 0 40 HKAB Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3ccc(Cl)cc3)cc2O)n1 2364622 KVANSCLVQOMLQM-UHFFFAOYSA-N 403.869 5.331 0 40 HKAB biogenic CCc1cc2c(SCC(=O)NC(c3ccccc3)c3ccccc3)ncnc2s1 2644165 HJXHFQWGLGAOOM-UHFFFAOYSA-N 419.575 5.252 0 40 HKAB Clc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)c(Cl)c1 4365757 YPXQNABCIXXCJD-UHFFFAOYSA-N 413.333 5.928 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3o2)c(C)c1 4616864 QWIBNPMIGUXOBN-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB Cc1cccc(OCC(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c1C 4703856 OYTQINIMQFMXII-UHFFFAOYSA-N 414.505 6.253 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1 4838584 GJNKUFRAQIANNE-UHFFFAOYSA-N 402.519 6.219 0 40 HKAB CC(C)Oc1cccc(C(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1 4866664 FYIBWTXAVWNCMJ-UHFFFAOYSA-N 406.869 6.188 0 40 HKAB Cc1ccc(C)c(OCCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1 4910900 VRKDXXZKVZDRJN-FQEVSTJZSA-N 419.569 5.237 0 40 HKAB C[C@H](NC(=O)CSc1nc(-c2cccs2)nc2ccccc12)c1cccs1 5287876 PCDGMACKYBQFST-ZDUSSCGKSA-N 411.577 5.389 0 40 HKAB CCn1c(SCc2csc(-c3ccccc3)n2)nc2sc(C)c(C)c2c1=O 5571539 JHPGCRRWMDNQCF-UHFFFAOYSA-N 413.593 5.511 0 40 HKAB Cc1cc(C)c(OCC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c(C)c1 5938104 PVUHSFZUAXKNCJ-UHFFFAOYSA-N 418.518 5.612 0 40 HKAB CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 6226120 ATFHHDYZJLFYJC-OAHLLOKOSA-N 414.962 5.043 0 40 HKAB CCOc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 6315207 JZEZLCQGLZGJMX-UHFFFAOYSA-N 411.567 5.354 0 40 HKAB COc1ccc(/N=c2\cc(-c3cc(OC)c(OC)c(OC)c3)oc3ccccc23)cc1 6662324 KEOHQNMPKYPWDT-LHLOQNFPSA-N 417.461 5.367 0 40 HKAB COc1ccc(CCC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1OC 6882383 SMRVBAHZMLEUOW-DEOSSOPVSA-N 409.913 5.196 0 40 HKAB COc1ccc(NC(=O)[C@@H](N[C@H]2CCCc3ccccc32)c2ccccc2)cc1Cl 6935587 YIFPLLFMGRIWKL-UPVQGACJSA-N 420.940 5.696 0 40 HKAB O=C(c1cccc(Br)c1)N1CCC(c2nc3ccccc3s2)CC1 7645027 HCUGBKOIEBNJIN-UHFFFAOYSA-N 401.329 5.079 0 40 HKAB CCSc1ccccc1C(=O)N(CC)Cc1nc(-c2ccc(Cl)cc2)no1 7684451 LRMIUXDZPDPHSW-UHFFFAOYSA-N 401.919 5.164 0 40 HKAB COc1ccc(C(C)=O)cc1COC(=O)CSc1cccc2cccc(Cl)c12 7780791 CMODQHGDWLDENJ-UHFFFAOYSA-N 414.910 5.540 0 40 HKAB O=C(Nc1nnc(C(c2ccccc2)c2ccccc2)s1)c1cccc2ccccc12 8860844 ABXHNVBTPSMNPK-UHFFFAOYSA-N 421.525 6.124 0 40 HKAB CCCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(C)cc2)n(C)c2ccccc12 9355485 JWGVYZIVELXXPV-HHHXNRCGSA-N 408.545 6.499 0 40 HKAB O=C(Oc1cc(-c2ccc(Br)cc2)c2oc(=O)sc2c1)c1ccco1 9430742 UQQFFUONITYOLP-UHFFFAOYSA-N 417.236 5.096 0 40 HKAB CCc1ccc(N(C(C)=O)c2nc(CN3CCC[C@H]3c3cccs3)cs2)cc1 9451057 XTKWUWZTQFBHKA-FQEVSTJZSA-N 411.596 5.789 0 40 HKAB C[C@@H](Nc1cccc(N2CCCC2=O)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1 9514583 JXBQJYCTSDQFGV-GOSISDBHSA-N 415.493 5.045 0 40 HKAB Cc1cc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)ccc1N1CCCC1 9603756 MZZUGBXZQYQRIU-UHFFFAOYSA-N 405.523 5.161 0 40 HKAB C[C@@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 9665266 FKBGHEMLMAWFBT-SNVBAGLBSA-N 420.214 5.125 0 40 HKAB CCOc1ccc(-n2c(SCc3ccc(Cl)cc3)nc3ncccc3c2=O)cc1 9830404 OGZBDZFJSOITOJ-UHFFFAOYSA-N 423.925 5.125 0 40 HKAB C[C@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)c1ccc(Cl)cc1 10024948 JXPUNBJFUNNVON-JTQLQIEISA-N 423.719 5.516 0 40 HKAB O=c1c(CN2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)no2)coc2ccccc12 12154151 ZEXACMRBEGIMJI-QFIPXVFZSA-N 418.468 5.704 0 40 HKAB COc1ccc(-c2c/c(=N\c3ccc(Br)cc3)c3cc(O)ccc3o2)cc1 12374168 CQYKPKLKNXNBDG-HIXSDJFHSA-N 422.278 5.809 0 40 HKAB biogenic Cc1onc(-c2ccccc2)c1-c1nnc(CSc2c(Cl)cccc2Cl)o1 12921142 ZEMFXTNODJWOMU-UHFFFAOYSA-N 418.305 6.299 0 40 HKAB O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCN(c2ccc(F)cc2)CC1 13687608 VYGQIFKXOJPVPW-UHFFFAOYSA-N 424.903 5.021 0 40 HKAB Cc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)cc1 16757709 WWDOWXXBFPWVAX-UHFFFAOYSA-N 421.569 6.997 0 40 HKAB CC1CCN(c2ccc(NC(=S)NC(=O)c3cccc(Cl)c3)cc2Cl)CC1 17092946 OXLSNJPWIWYUSR-UHFFFAOYSA-N 422.381 5.357 0 40 HKAB Cc1csc([C@H](Cc2cccs2)NCc2ccccc2OC[C@H]2CCCO2)n1 19240109 HJAWLDKVUCKHEA-QUCCMNQESA-N 414.596 5.144 0 40 HKAB Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc2c(-c3ccccc3)cnn12 19816991 TWCCNJKTHWJLSA-UHFFFAOYSA-N 421.460 5.144 0 40 HKAB COc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1NC(=O)C(C)C 19945486 SFLHVZZKBGEPGX-UHFFFAOYSA-N 414.933 5.394 0 40 HKAB O=C(Cc1ccc(Br)cc1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20137216 QWGKJLYFZYDRKE-UHFFFAOYSA-N 420.690 5.036 0 40 HKAB Cc1cc(NC(=O)/C=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)cc(C(=O)O)c1O 20145437 MPKFYAXVJAONRU-QPJJXVBHSA-N 415.804 5.103 0 40 HKAB Clc1ccc(-c2n[nH]c(SCc3ccc(Br)cc3)n2)c(Cl)c1 20195560 MAJOZLKMJNQUCE-UHFFFAOYSA-N 415.143 5.833 0 40 HKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c(Cl)c4)cc3n2)cc1 20611182 OGMUWDBQFJXWPM-UHFFFAOYSA-N 404.901 5.505 0 40 HKAB Clc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)c(Cl)c1 20759810 XJLPGXDASOOFAH-UHFFFAOYSA-N 406.121 6.643 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 22524426 KCOXJOMBCFDQRP-IBGZPJMESA-N 408.542 5.128 0 40 HKAB Fc1ccc(-c2cc3c(SCc4cccc(C(F)(F)F)c4)nccn3n2)cc1 23126590 YMSJNBKLEDZLSU-UHFFFAOYSA-N 403.404 5.847 0 40 HKAB COc1ccc([C@@H]2CCCCCN2C(=O)CCC(=O)c2ccc(SC)cc2)cc1 24393541 SXUMKVWOYHPWBI-QFIPXVFZSA-N 411.567 5.524 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2NC(=O)Nc2ccccc2)c(C)c1 25059448 SXWQHRKHJFUPOO-UHFFFAOYSA-N 409.511 5.057 0 40 HKAB CCOC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(Cc2ccccc2)C1 25143063 NABXGJIOQLSHMT-UHFFFAOYSA-N 401.462 5.423 0 40 HKAB Cn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1Cl 34704946 OZQFHQIVWVYAAO-UHFFFAOYSA-N 419.164 6.388 0 40 HKAB O=C(NC1CCCC1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 36358498 BAVGCCDBDSHTNC-QHCPKHFHSA-N 420.528 5.331 0 40 HKAB CC(C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc4ccccc4c3)nc21 36617067 FGZXRWKVBBZKBE-UHFFFAOYSA-N 415.440 5.874 0 40 HKAB Cc1ccc([C@H](NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2)cc1 44838879 PARXQXVAMPLSKG-JOCHJYFZSA-N 400.305 5.586 0 40 HKAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccco1)C3 55393775 UCJURLPRAUDZNH-UHFFFAOYSA-N 421.880 5.291 0 40 HKAB CC1(C)CC[C@@H](NC(=O)NCc2cccc(NC(=O)C3CCC3)c2)c2ccccc21 69951774 MFKLCLLJQRBBEG-JOCHJYFZSA-N 405.542 5.037 0 40 HKAB C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 70688039 WQLVFSAGQJTQCK-VPCISJBQSA-N 414.630 5.714 0 40 HKAB biogenic C[C@@H](Oc1ccc(F)cc1)c1nnc(C2(c3cccc(Cl)c3)CCOCC2)o1 71889869 QJOFEADLZQVGTK-CQSZACIVSA-N 402.853 5.099 0 40 HKAB Nc1c(Cl)cc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1Cl 84421940 PJTVPWZRZNILJW-UHFFFAOYSA-N 419.287 5.032 0 40 HKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O 96191220 SJTXNVVRJGXXSI-HWVXOFFASA-N 404.318 6.176 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@H](c4cccc(Cl)c4)C3=C(O)C2)cc1 102658957 TYTZQQUGMPFUTQ-QVKFZJNVSA-N 406.873 5.005 0 40 HKAB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H](c3ccccc3)C2=C(O)C1 104163790 IXZSWNFAFYUJSR-SANMLTNESA-N 422.528 6.793 0 40 HKAB C[C@@H]1CCN(C(=O)CN(C)[C@H](C)c2nc3ccccc3s2)c2ccccc2S1 108950163 NWRFJECEBYIJPQ-HZPDHXFCSA-N 411.596 5.207 0 40 HKAB Cc1ccc(Nc2nnc(S[C@@H](C)C(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)s2)cc1 195529913 PSODWQFXHRFFAD-AESZEHBQSA-N 404.605 5.012 0 40 HKAB O=C(Nc1ccc2c3c(cccc13)CC2)/C(=C/c1ccccc1Cl)c1ccccc1 223424402 NQPNEVKHCVSSAM-HAVVHWLPSA-N 409.916 6.771 0 40 HKAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1C 224461496 VRXWVVKBBDJMJM-RTWAWAEBSA-N 410.974 5.350 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1cccc(Cl)c1 224486286 NITFKYLNMHNPFO-KRWDZBQOSA-N 409.913 5.809 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3ccccc3OC)c2)cc1 224578152 VBJZTWJLPTZWKM-UHFFFAOYSA-N 421.493 5.324 0 40 HKAB Nc1c(-c2cccc3ccccc23)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1 225182038 AHBIJXLRJGSHES-UHFFFAOYSA-N 421.344 6.312 0 40 HKAB COc1ccc(Nc2nc(/C=C3/SCCN3C(=O)c3cccs3)cs2)cc1 225251134 KXOCKRFJHRLRCO-GZTJUZNOSA-N 415.565 5.144 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)N[C@H](C)CC)cc1 225580050 BPNHHQZDRDPWAG-BWKNWUBXSA-N 422.613 5.212 0 40 HKAB O=C(CSCc1c(F)cccc1Cl)NCCSCc1cccc(Cl)c1 408543552 FFNDSBIMXKMSML-UHFFFAOYSA-N 418.386 5.415 0 40 HKAB CCc1s/c(=N\C(=O)c2ccccc2OC)n(CC)c1-c1ccc(Cl)cc1 408562172 NTHLIWXIIOLPTL-LNVKXUELSA-N 400.931 5.202 0 40 HKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408677155 QIDBJFVSEJZAPX-UHFFFAOYSA-N 423.299 6.043 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2cccc(Cl)c2)c(C)c1 408696905 GAADPIQPELYPIG-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CCN(CC)C(=S)Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 408734720 CFZOUEQFESJGSS-UHFFFAOYSA-N 413.546 5.969 0 40 HKAB Oc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1Br 408988591 IKTOGFFCKNLZDS-UHFFFAOYSA-N 405.317 5.191 0 40 HKAB Cc1ccccc1CSCC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 409111066 BLJGJCFLEZNWED-IBGZPJMESA-N 418.562 5.358 0 40 HKAB O=C(Nc1ccccc1C(=O)OC(c1ccccc1)c1ccccc1)c1ccccc1 409180943 VICORGHIYNMLNJ-UHFFFAOYSA-N 407.469 5.885 0 40 HKAB Cc1ccc(COc2ccc(Br)cc2-c2nc3ccccc3s2)cc1 409189279 OOYLDSCAIFKWNQ-UHFFFAOYSA-N 410.336 6.613 0 40 HKAB Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(=O)N(C)CC3CCC3)c12 606197589 CYMVZCZRXAXTBH-UHFFFAOYSA-N 403.404 5.089 0 40 HKAB O=C(NC[C@@H](C(=O)O)c1ccccc1Cl)OCC1c2ccccc2-c2ccccc21 685939419 ZDTWOCCGXMOXRB-HXUWFJFHSA-N 421.880 5.047 0 40 HKAB Cc1ccc(NC(=O)c2c(NC(=O)c3ccccc3)sc3c2CC[C@H](C)C3)cc1 659394 OHEZSDKNIZWVOT-INIZCTEOSA-N 404.535 5.686 0 40 HKAB COc1ccc2nc3sc(C(=O)Nc4ccc5sc(C)nc5c4)c(N)c3cc2c1 862109 GRQRCCJAVXVBRT-UHFFFAOYSA-N 420.519 5.211 0 40 HKAB CCOC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1Nc1cccc(O)c1 950412 LTMYMMAHGHYPDE-UHFFFAOYSA-N 400.434 5.653 0 40 HKAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)c4cccs4)c23)C1 1377332 FYEAGSOTTMNEHV-NSHDSACASA-N 400.594 5.730 0 40 HKAB Cc1nc(-c2ccc(Cl)cc2)sc1-c1csc(-c2ccc(Cl)cc2)n1 2192939 CLURNUYLUHOURI-UHFFFAOYSA-N 403.359 7.216 0 40 HKAB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1cccc(F)c1 2239892 ATFBGQMHCSCJOT-UHFFFAOYSA-N 401.553 6.549 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2CC)cc1 2452782 FLKMXLCPDKVBDK-MRXNPFEDSA-N 424.570 5.218 0 40 HKAB O=C(c1ccccc1OCc1ccccc1)[C@H]1O[C@@H]1c1ccc(Br)cc1 2556192 WZIFLZKXPOGOFN-FGZHOGPDSA-N 409.279 5.351 0 40 HKAB COC(=O)c1ccc(CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 2699496 AYKICJIVUBNBRS-UHFFFAOYSA-N 410.442 5.303 0 40 HKAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)C1 2750429 BTOINODYNDCPMZ-HZPDHXFCSA-N 423.354 5.782 0 40 HKAB CCCOc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)c3ccccc3n2)cc1 2753871 PLJFGSXDTVHLKN-OALUTQOASA-N 402.538 5.809 0 40 HKAB Cc1ccc(C(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1C 2889478 WFFUPUUBHNYQCI-UHFFFAOYSA-N 424.978 6.604 0 40 HKAB COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)Nc1cccc(Cl)c1 3135903 CJAGWQPXZOVHQW-UHFFFAOYSA-N 409.873 5.553 0 40 HKAB C[C@H]1C[C@H](C)CN(C(=O)c2cc3cc(Br)cc(Br)c3o2)C1 3180766 LKZMKXQIYSQRFC-UWVGGRQHSA-N 415.125 5.076 0 40 HKAB O=C(CSc1ncnc2sccc12)N1c2ccccc2Sc2ccccc21 3284045 BBDYFXOVKGBEEJ-UHFFFAOYSA-N 407.545 5.613 0 40 HKAB O=C(COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)Nc1ccccc1-c1ccccc1 3308803 KFTPCWBIGUJKDQ-UHFFFAOYSA-N 424.500 5.509 0 40 HKAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(-c2ccc(Br)cc2)o1 3316547 LVYYZJZPYGSPDC-GZTJUZNOSA-N 412.214 5.193 0 40 HKAB C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)/C=C/c1cccs1 3391727 OXRUURLMLZBMMJ-SIFUEBAJSA-N 401.984 6.136 0 40 HKAB CCOc1ccc(Nc2nc(-c3ccccc3)c(Oc3ccc(Cl)cc3)s2)cc1 3666832 XMJNNQGESCHDCY-UHFFFAOYSA-N 422.937 7.398 0 40 HKAB CCC(=O)N(CC[C@H](c1ccc(C)cc1)[C@@H]1CCOC(C)(C)C1)Cc1ccccc1 4028093 NUYXBMLFCDKLOB-JWQCQUIFSA-N 407.598 6.113 0 40 HKAB biogenic Cc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@@H]2/C=C/c2ccccc2)cc1 4090706 FKCSGKDBQVNWDY-DTKKNGCVSA-N 410.517 5.074 0 40 HKAB biogenic Cc1c(-c2ccc(Cl)cc2)c(=O)oc2cc(OC(=O)c3ccccc3F)ccc12 4340263 IIFYVLVALIFTQM-UHFFFAOYSA-N 408.812 5.780 0 40 HKAB biogenic CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Cl)c(Cl)c2)N3)C1 4554571 MNEAXSLJMFOLOY-XIKOKIGWSA-N 423.409 7.025 0 40 HKAB CSc1nc2ccc(S(=O)(=O)Nc3ccc4c5c(cccc35)CC4)cc2s1 4618647 AZIMBBUNFBKCKP-UHFFFAOYSA-N 412.561 5.071 0 40 HKAB CCCCOCCCNC(=O)C[C@H](C)CC(=O)N(c1ccccc1)c1ccccc1 4700693 IPLAAMMCSXSEEZ-NRFANRHFSA-N 410.558 5.091 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c1 5420730 SHLKBFQBRUOYRF-UHFFFAOYSA-N 404.441 6.065 0 40 HKAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1C 5942618 URHSHLUXBAOPGZ-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB Cc1csc(N(C(=O)Cc2csc(-c3cccc(F)c3)n2)c2ccccc2)n1 8883841 NEYICEVMDBXZOZ-UHFFFAOYSA-N 409.511 5.622 0 40 HKAB COc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2cc(C)ccc2C)cc1O 8973486 BKRULFOIKBYYNO-UHFFFAOYSA-N 416.477 5.779 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1 9199894 NLBQULKGBYGPPS-UHFFFAOYSA-N 415.518 5.289 0 40 HKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(Cl)cc2)cc1 9413787 HWEIGZKNRFPGNA-UHFFFAOYSA-N 420.852 5.599 0 40 HKAB Cc1ccc2cc(CN(C(=O)c3ccc(Cl)cc3)c3ccccc3C)c(=O)[nH]c2c1 9427809 GJOKWIHLMGCFNU-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1cnn(Cc2ccccc2)c1 9547927 WOECBCAUDNAACE-KBMIEXCESA-N 408.505 5.259 0 40 HKAB CCN(C(=O)c1ccccc1OC)c1nc(-c2ccc(Br)cc2)cs1 9606839 NOCZDHRMHNTZBL-UHFFFAOYSA-N 417.328 5.248 0 40 HKAB O=C(CCCc1nc2ccccc2s1)Nc1ccc(NC(=O)c2ccco2)cc1 10870797 NDQICQBPQZNSSB-UHFFFAOYSA-N 405.479 5.103 0 40 HKAB COc1ccc(N(Cc2cccs2)C(=O)COc2ccc(Cl)c(C)c2)cc1 11916236 KUDVMIDWDZVXCT-UHFFFAOYSA-N 401.915 5.331 0 40 HKAB O=C(NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1)[C@H]1CC=CCC1 12257229 HYTBUTQETWEJFC-NRFANRHFSA-N 410.521 5.056 0 40 HKAB COC(=O)c1cc(-c2ccc(F)cc2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1 12397213 MOKJDCUCMGUQTB-UHFFFAOYSA-N 405.404 5.030 0 40 HKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 13684715 JAJRNXLNKVOYKU-GOSISDBHSA-N 402.494 5.046 0 40 HKAB O=C(CSCc1ccccc1Cl)Nc1cccc(-c2nc3ccccc3[nH]2)c1 13945518 QMANQEBPRATLQY-UHFFFAOYSA-N 407.926 5.755 0 40 HKAB Cc1cccc(C)c1Nc1c(-c2cc(C(C)C)c(O)c(C(C)C)c2)nc2ncccn12 15414280 FPQUPXLNOGPJAO-UHFFFAOYSA-N 414.553 6.709 0 40 HKAB CCOc1ccc(N(Cc2ccccc2)C(=O)c2cc(=O)c3cc(C)ccc3o2)cc1 15831191 GCKDQVYCEWQGPY-UHFFFAOYSA-N 413.473 5.347 0 40 HKAB c1ccc(C2=NO[C@@]3(OC(c4ccccc4)(c4ccccc4)c4ccccc43)S2)cc1 16478091 FDXLYWZEOSFYHZ-HHHXNRCGSA-N 421.521 6.244 0 40 HKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(F)cc1 16575980 LRBJQIOHXJJUJM-UHFFFAOYSA-N 404.441 6.018 0 40 HKAB CCOC(=O)CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 16757914 ZZVSUGZIPBDACM-UHFFFAOYSA-N 423.925 5.396 0 40 HKAB O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1C(=O)c1ccccc1 16952960 WCTIPYXJFUKGBD-LAJGZZDBSA-N 416.520 6.566 0 40 HKAB CCc1nn2c(c1-c1ccc(OC)cc1)N=C(C)C[C@H]2c1ccc(OC)c(OC)c1 17083181 GDNHACTWVSVDFA-FQEVSTJZSA-N 405.498 5.224 0 40 HKAB COc1ccc(Nc2nn(-c3nc4ccccc4s3)c3c2C(=O)CC(C)(C)C3)cc1 19817255 NXFSZXHBVKXEKH-UHFFFAOYSA-N 418.522 5.389 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1Sc1ccccc1 20110429 RHXCOEXBYCMCCM-DEOSSOPVSA-N 413.542 6.787 0 40 HKAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1cc(C(=O)O)c(Cl)cc1Cl 20145360 RKFJBBHEHKVUGD-SOFGYWHQSA-N 420.223 5.743 0 40 HKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1 21595377 PJCZFDPWXQEUKF-UHFFFAOYSA-N 413.109 5.008 0 40 HKAB COc1ccc(C(=O)Nc2cc(-c3cccc(Cl)c3)nn2-c2ccccc2)cc1 21944958 IEXOBJAVPRWBKO-UHFFFAOYSA-N 403.869 5.454 0 40 HKAB CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 23011575 ASLQFFJSUFZODI-LICLKQGHSA-N 401.466 5.381 0 40 HKAB Cc1c(-c2ccccc2)sc2ncn(Cc3cc(F)cc4cccnc34)c(=O)c12 31617293 YNKDTDUQUWBGAL-UHFFFAOYSA-N 401.466 5.169 0 40 HKAB Cc1ccc(C)c(NC(=O)Nc2nn(Cc3ccccc3F)cc2Br)c1 32609644 GIIAHZYSQWYQHO-UHFFFAOYSA-N 417.282 5.094 0 40 HKAB CCCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc(Cl)cc1 32754350 BKKQNWUYHRTOAL-GFCCVEGCSA-N 405.955 5.542 0 40 HKAB CCCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C1=O 35042168 ZROGDKRTHJPHOV-CPNJWEJPSA-N 401.915 5.755 0 40 HKAB Cc1cccc(NC(=O)Cn2c3c(sc2=O)[C@H]2C[C@@H](C)CC[C@@H]2C(C)(C)S3)c1 35982626 GDPWCXPDRURPNU-XIRDDKMYSA-N 416.612 5.261 0 40 HKAB O=C(Nc1ccc(-c2nc3cnccc3o2)c(O)c1)c1ccc(Cl)cc1Cl 36365119 OOAARUCMSAKVKP-UHFFFAOYSA-N 400.221 5.155 0 40 HKAB CN(C)c1ccc(NC(=O)CSCc2ccc(Cl)s2)c(C(F)(F)F)c1 36391425 BLEHMVAOJHOEEH-UHFFFAOYSA-N 408.898 5.358 0 40 HKAB CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CCC(=O)C(C)(C)C5=CC[C@@H]4[C@@]3(C)CC[C@]12C 38799467 BCQNFYWIPQQTGS-UBYXKGFDSA-N 424.713 8.233 0 40 HKAB biogenic Cc1ccc(OCc2ccccc2Cl)c(/C=C2/N=C(c3cccs3)OC2=O)c1 41082752 JWXABDJWVSQTGY-LDADJPATSA-N 409.894 5.633 0 40 HKAB Cc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2-c2ccccc2C)cc1 44086789 NNCUTGJGNCVJNR-UHFFFAOYSA-N 413.546 5.887 0 40 HKAB CCCCNC(=O)c1ccccc1NC(=O)[C@@H](CC)Sc1ccc(Cl)cc1 44880812 YBMZHOBBTAQELZ-LJQANCHMSA-N 404.963 5.379 0 40 HKAB Cc1cccc(O[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c1C 44899924 QSYNJGOZWUKTHK-HNNXBMFYSA-N 412.382 5.427 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)CNC(c1ccccc1)c1ccccc1 58160696 FEECCBZUQICMEP-UHFFFAOYSA-N 400.566 6.251 0 40 HKAB Cc1ccc(C2=C(Cl)/C(=C\CN(C)C)[C@H](c3ccccc3)c3ccccc3O2)cc1 58476310 SKHITEJNZGODQD-IVNHJSRESA-N 415.964 6.615 0 40 HKAB biogenic C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63809566 XQBBJBYAHJTVCT-VIFPVBQESA-N 408.310 5.138 0 40 HKAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCC(c3ncc(-c4ccc(F)c(F)c4)[nH]3)CC2)C1(C)C 65533642 LXUORYXCGLTADI-UWJYYQICSA-N 413.512 5.299 0 40 HKAB Brc1ccc(Nc2nc(-c3cccc(Br)c3)cs2)cc1 67321940 GDILSRRCUIZTTC-UHFFFAOYSA-N 410.134 6.079 0 40 HKAB FC(F)(F)Oc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 71761640 SGXRWDPJWSYEEZ-UHFFFAOYSA-N 404.413 6.186 0 40 HKAB Fc1ccc(Cl)c([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN23)c1 72332660 ZFYRVRUVNSHWPN-IRLDBZIGSA-N 413.279 6.375 0 40 HKAB CCCc1cc(C(=O)N2CCCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)no1 72370036 VMOMDUDJVJSAHA-QHCPKHFHSA-N 407.489 5.504 0 40 HKAB Cc1cc(CCCC(=O)N2CCC[C@@H]2c2cccc(Nc3nccs3)n2)ccc1F 72375809 QMSBWBSQPSFWEK-HXUWFJFHSA-N 424.545 5.416 0 40 HKAB COc1ccc(OC)c(NC(=O)C(C)(C)Oc2ccc([C@H]3CC3(Cl)Cl)cc2)c1 72406336 JYBMIUOMIIGVDX-MRXNPFEDSA-N 424.324 5.161 0 40 HKAB COC(=O)c1c(CN(C)[C@@H](C)c2cccnc2)nc2ccccc2c1-c1ccccc1 95446714 GBMVCAMFIIZKEW-SFHVURJKSA-N 411.505 5.276 0 40 HKAB c1ccc([C@]23O[C@@](c4ccccc4)(c4ccccc42)[C@H]2c4cccc5cccc(c45)[C@@H]23)cc1 103110659 SAYUJFQTOWSBFN-YDPTYEFTSA-N 422.527 7.252 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)Nc5ccc(Cl)cc5Cl)(C4)C2)C3)cc1 103130354 UVWGGUYQKIDKMD-GAAJCNLQSA-N 414.376 6.779 0 40 HKAB CC[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(C)cc1C 219775061 ZAVKSWGNNYXBCO-QHCPKHFHSA-N 407.941 6.417 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)CCc2ccc(Cl)c(Cl)c2)cc1C(C)C 223386345 RMJRCHDEWIWUJS-HNNXBMFYSA-N 408.369 6.244 0 40 HKAB COc1cc(C)c(S(=O)(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1C(C)C 224139146 BJHNXMGUHARHTB-LJQANCHMSA-N 417.571 5.016 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(SCC(C)C)s1 224763490 KSYPXOPXNOHPNU-ZDUSSCGKSA-N 402.010 5.449 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccc(CN4CCC[C@@H](C)C4)cc3)ccc21 225160413 SWDPZUODZXAHQL-QGZVFWFLSA-N 423.582 5.128 0 40 HKAB CC(C)Sc1nnc(NC(=O)c2ccc(CSc3ccccc3)cc2)s1 225386585 QHVCJYFKMGKDNR-UHFFFAOYSA-N 401.582 5.583 0 40 HKAB O=C(Nc1ccc(OCCN2CCCCCC2)cc1)C1(c2ccc(F)cc2)CCCC1 225520448 LWMLDXVIKIDILD-UHFFFAOYSA-N 424.560 5.531 0 40 HKAB Cc1cc(NC(=S)NCCCSCc2ccccc2C)ccc1Br 225600661 LVZJXLOAGALCQG-UHFFFAOYSA-N 423.445 5.676 0 40 HKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)cc1OC 225934131 QMRJUHGLNGRWOA-UHFFFAOYSA-N 407.897 5.033 0 40 HKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc(F)c2)nc1-c1ccc(F)cc1 408697849 LVHQWCBQOQYJTD-UHFFFAOYSA-N 424.838 5.427 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2ccc(F)cc2)cc1 408700146 ZBSLHNBXEWAZQL-UHFFFAOYSA-N 422.463 5.787 0 40 HKAB CCc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 409081471 PLDPMOPNFISWHF-UHFFFAOYSA-N 419.352 5.355 0 40 HKAB COC(=O)c1c(NC(=O)COc2cc(C)ccc2C(C)C)sc2c1CC[C@@H](C)C2 729925 IXPOZTNDOYLBAE-OAHLLOKOSA-N 415.555 5.109 0 40 HKAB CC(C)(C)OC(=O)N[C@]1(C(Cl)(Cl)Cl)Oc2ccc(C(C)(C)C)cc2O1 852991 QEHGDBRUDXAHEC-QGZVFWFLSA-N 410.725 5.304 0 40 HKAB C[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3c2C1 944101 GTPLEWHXSKNJIB-NSHDSACASA-N 410.322 5.665 0 40 HKAB C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1nc2ccccc2s1 1006365 NHJSBSYDIAHWHL-MRVPVSSYSA-N 401.702 5.663 0 40 HKAB O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(C(=O)c1ccco1)c1cccc(F)c1 1380118 LVNRBHNDQNSLGN-JOCHJYFZSA-N 424.447 5.005 0 40 HKAB Cc1ccc(N2C(=O)c3cc(C)nc(SCc4ccccc4F)c3C2=O)c(C)c1 1405788 AWDONBKSTNWJCE-UHFFFAOYSA-N 406.482 5.239 0 40 HKAB CCOP(=O)(Nc1cc2c(cc1Br)-c1ccccc1C2=O)OCC 1692037 QHWPEDMDERDLLX-UHFFFAOYSA-N 410.204 5.254 0 40 HKAB Nc1nc(SC(c2ccccc2)c2ccccc2)nc2sc3c(c12)CCCC3 2183166 OFDXISCFVXFZTM-UHFFFAOYSA-N 403.576 6.034 0 40 HKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccccc1N1CCCCC1 2418257 PBHSFWKZDZQARS-FMIVXFBMSA-N 415.331 5.100 0 40 HKAB O=c1oc2ccc(Cl)cc2c(-c2ccccc2)c1-c1ccc(Br)cc1 2581726 WEVOGAUYOXBQSK-UHFFFAOYSA-N 411.682 6.543 0 40 HKAB biogenic O=C1c2cccc(OCc3ccccc3Cl)c2CCN1Cc1ccc(Cl)cc1 2716439 XOTQFODPQVJQKH-UHFFFAOYSA-N 412.316 5.771 0 40 HKAB COc1cccc(NP2(=O)C=C(c3ccccc3)SC(c3ccccc3)=C2)c1 3174528 CXQRSXZJFIWMQX-UHFFFAOYSA-N 405.459 7.129 0 40 HKAB COC(=O)c1ccc(OC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 3279651 KOYUZFMWARFTBP-UHFFFAOYSA-N 405.475 5.072 0 40 HKAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc2ccccc2n1 3320727 FJGASQSXHVHTTB-RUZDIDTESA-N 406.441 5.497 0 40 HKAB Cc1ccccc1Cn1cc(SCC(=O)NCc2ccc(F)cc2)c2ccccc21 4060751 GIRBNSLKKQMXRK-UHFFFAOYSA-N 418.537 5.546 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(C(C)C)cc4)c(C)s3)C(=O)[C@@H]21 4651940 YNPHMVQAAKOGKZ-YHELAOLJSA-N 420.578 5.724 0 40 HKAB COC(C)(C)CCC[C@H](C)CCNS(=O)(=O)c1ccc2oc3ccccc3c2c1 4653545 YQVUAFZGOWHMOP-KRWDZBQOSA-N 417.571 5.486 0 40 HKAB COc1ccc(-n2ncc3c(N(Cc4ccccc4)Cc4ccccc4)ncnc32)cc1 4659347 IFHSRDJFHIFMEJ-UHFFFAOYSA-N 421.504 5.031 0 40 HKAB CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cccs4)cc3c2C1 4660843 IUBFWYHEJLBMHC-AWEZNQCLSA-N 403.569 5.836 0 40 HKAB Clc1ccc(-c2nsc3c(N4CCC(Cc5ccccc5)CC4)ncnc23)cc1 4895010 PFQYJEVHYDOSEZ-UHFFFAOYSA-N 420.969 5.866 0 40 HKAB Cc1c([C@H]2[C@H](CCNC(=O)c3ccccc3)C2(C)C)c2ccc3ccccc3c2n1C 5477736 GPAQXIUXIAYECU-UKILVPOCSA-N 410.561 6.200 0 40 HKAB CCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OCCC)cc3)C2)cc1 6597451 VTHRSKVPTUAQOT-LJQANCHMSA-N 424.541 5.036 0 40 HKAB Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2cnn(Cc3ccccc3)c2)cc1 7113118 HJIDCMCABMOALF-VWLOTQADSA-N 408.505 5.007 0 40 HKAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)NC(c2ccccc2)c2ccccc2)s1 7308403 BFINQCSWXCRJIJ-UHFFFAOYSA-N 416.521 5.706 0 40 HKAB Cc1csc(N(C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)c2ccccc2)n1 8039497 RCRHUHNGQRZICU-UHFFFAOYSA-N 417.538 5.633 0 40 HKAB CCc1ccc(-c2nn(CC(=O)c3ccc(Br)cc3)c(=S)o2)cc1 8338698 PREJBIZSQFMVTR-UHFFFAOYSA-N 403.301 5.080 0 40 HKAB Cc1cc(CSc2ccccc2C(=O)Nc2ccc(-c3csc(C)n3)cc2)no1 8861443 IOQMZQMECWKMJY-UHFFFAOYSA-N 421.547 5.960 0 40 HKAB CCOCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)C1CCCCC1 9060143 UUUFCJNXTIXSGL-UHFFFAOYSA-N 422.573 5.594 0 40 HKAB O=C1Nc2ccccc2/C1=C\c1cc(Br)ccc1OCc1ccccc1F 9296341 MYDDVGCNMWNAOM-LDADJPATSA-N 424.269 5.660 0 40 HKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 9355156 SYBMMKLICJXGKN-UHFFFAOYSA-N 408.284 6.758 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cc(=O)c2ccccc2o1 11847465 FEKNAIMPUIMLOG-UHFFFAOYSA-N 417.273 5.476 0 40 HKAB Brc1ccc(Oc2cc(Oc3ccc(Br)cc3)ncn2)cc1 12728788 AHRMVCOIHNZOBB-UHFFFAOYSA-N 422.076 5.586 0 40 HKAB Cc1noc([C@@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccco2)n1 12735101 WEACCKSVTGHIOC-CQSZACIVSA-N 423.542 5.429 0 40 HKAB CCOc1cc2c(cc1NC(=O)c1sc3nc(C4CC4)nc(C)c3c1C)O[C@@H](C)C2 12933025 GTWIPWWJJPEVHO-NSHDSACASA-N 423.538 5.160 0 40 HKAB c1ccc(-c2noc(CCCSc3nnc(Cc4cccs4)n3C3CC3)n2)cc1 13115229 VXRSNKLLXYSANW-UHFFFAOYSA-N 423.567 5.040 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 14401022 VSOIIUAKDFJKBF-CQSZACIVSA-N 414.288 5.630 0 40 HKAB Cc1ccccc1NC(=O)c1sc(=S)n(-c2ccc(Br)cc2)c1N 15015113 PEEPPDQPNYPVFI-UHFFFAOYSA-N 420.357 5.174 0 40 HKAB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(OCc2cscn2)cc1 15763575 REUUXKWSMHMDOF-UHFFFAOYSA-N 407.322 5.301 0 40 HKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(Cl)cc1 17087535 QEKKBMBPGAQKNG-UHFFFAOYSA-N 406.869 6.026 0 40 HKAB CCc1c(-c2ccc(OC)cc2)nn(Cc2ccccc2F)c1-c1ccc(OC)cc1 17090644 UFWYMZXSWAGVRG-UHFFFAOYSA-N 416.496 5.984 0 40 HKAB COc1ccccc1CC(=O)N1CCCCC[C@@H]1c1cc(-c2ccc(F)cc2)on1 19569626 JTTDPLNXRHRTAG-OAQYLSRUSA-N 408.473 5.176 0 40 HKAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)cc1C 20196873 JBKDCLHOUHLGFJ-UHFFFAOYSA-N 422.337 5.315 0 40 HKAB COc1cccc([C@@H](CNC(=O)c2sc3ccccc3c2Cl)N2CCCC2)c1 27341027 QTOSHJUJXHLNQI-GOSISDBHSA-N 414.958 5.130 0 40 HKAB CCc1ccc2oc(C(=O)NC[C@H](c3cccs3)N3CCCCCC3)c(C)c2c1 28404591 BKAMEASIJKXCMK-HXUWFJFHSA-N 410.583 5.712 0 40 HKAB Cc1ccc(-c2nc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)co2)c(C)c1 29922775 OOKIZESGFJYSNN-UHFFFAOYSA-N 415.459 5.299 0 40 HKAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccc(Br)o3)n2)cc1 32622705 OLSAOLQCESIGHX-UHFFFAOYSA-N 424.254 5.320 0 40 HKAB CN(Cn1nc(C2CC2)n(Cc2ccccc2)c1=S)[C@H]1CCCc2ccccc21 32899422 AHVRKDORSYSHEE-QFIPXVFZSA-N 404.583 5.307 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)Nc3nc(-c4ccccc4)c(C)s3)o2)c1 33587112 WILVFHYTHJGLOR-UHFFFAOYSA-N 422.535 5.208 0 40 HKAB CCn1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(C(C)(C)C)cc3)nc21 36614352 FRGIIOBXPIUAOG-UHFFFAOYSA-N 407.461 5.457 0 40 HKAB CC(=O)c1ccc(-c2ccc(C(=O)N3CCC(c4c[nH]c5ccccc45)CC3)o2)cc1 40033977 NIIFTBUQXAEEJI-UHFFFAOYSA-N 412.489 5.650 0 40 HKAB CCc1nn2c(ncc3c(=O)n([C@@H]4CCCC[C@@H]4C)ccc32)c1-c1ccc(F)cc1 40396756 DKRIOYMDFQIBNG-MGPUTAFESA-N 404.489 5.164 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478286 WIUXBAYJWICJHY-UHFFFAOYSA-N 400.187 5.655 0 40 HKAB O=C(c1ccc(Cl)cc1)N1C(=S)C(c2ccc(F)cc2)=NC12CCCCC2 45932990 ZWYWKOHZWFJLGQ-UHFFFAOYSA-N 400.906 5.412 0 40 HKAB Cc1ccc(C)c(C(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)c1 67206924 FRDPCYODMTXCFM-UHFFFAOYSA-N 413.340 5.498 0 40 HKAB CC1=C[C@@H](CNC(=O)C2CCCCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccccc2n1C 72320877 CKUWXHPABRINRZ-VABKMULXSA-N 421.629 5.667 0 40 HKAB biogenic,in-vitro CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc3cc[nH]c3c2)C12CCCC2 72324850 LGCOGIPCKJPRBP-HXOBKFHXSA-N 415.537 5.457 0 40 HKAB biogenic CCCCOc1ccccc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)[nH]n1 72331599 QBNXQURPLDFCMP-UHFFFAOYSA-N 417.431 5.204 0 40 HKAB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1ccc(OCc2ccccc2)cc1 96759115 UCAHREUQQFGSQJ-XSFVSMFZSA-N 414.530 5.598 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc(F)cc4)C3=C(O)C2)cc1 100424650 IWRPQRDPBCLUKE-WXTAPIANSA-N 414.480 6.463 0 40 HKAB C[C@H](Nc1cc(Cl)ccc1N1CCCCC1)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102350201 WLXOVSNCIFEPSH-NSOKGPEJSA-N 403.998 5.072 0 40 HKAB Cc1cccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c1 107932721 WZMMISIXQHJOHU-UHFFFAOYSA-N 419.864 5.439 0 40 HKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 216314405 YLQRPRJEYRTBIU-QFIPXVFZSA-N 408.542 5.162 0 40 HKAB COc1ccc(-c2nnc(NC(=O)c3ccccc3OCc3ccccc3)s2)cc1 223193131 GKAWEAPJUGBUFV-UHFFFAOYSA-N 417.490 5.045 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1Cc1ccco1 223354489 BRIHJFMXGCPTAB-YADHBBJMSA-N 406.555 5.154 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(COc3ccc(C)cc3)c2)cc1 224472209 QCZQFGFFYTZQIM-UHFFFAOYSA-N 417.549 6.568 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1ccc(CN2CCCCC2)cc1 224535588 KXTIPLVYFHCGKY-HSZRJFAPSA-N 414.977 5.108 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1CSc1ccccc1 224656224 GJPOOEUJGGRXDV-UHFFFAOYSA-N 421.518 5.036 0 40 HKAB Fc1ccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)cc1Cl 225345261 OZRPVQDPMLLYKS-UHFFFAOYSA-N 423.793 6.006 0 40 HKAB COc1cc2c(cc1OC)-n1cccc1C(c1cccc(C(F)(F)F)c1)=N[C@H]2C 225374918 XCMCNFYJDVUYMQ-ZDUSSCGKSA-N 400.400 5.425 0 40 HKAB Cc1ccccc1CN(C(=O)CCc1ccc(C(C)(C)C)cc1)[C@@H](C)C(=O)NC(C)C 225488282 BKQAAQUKXPAKBG-NRFANRHFSA-N 422.613 5.167 0 40 HKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225703831 NPGPROKHZSHRDF-RUZDIDTESA-N 418.622 5.501 0 40 HKAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1ccc(F)c(Cl)c1 225804033 LTMQKSIMQZTAJM-UHFFFAOYSA-N 413.758 5.119 0 40 HKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225827007 PPGLYYWEMNVRBD-GAJHUEQPSA-N 407.551 5.355 0 40 HKAB CCc1ccc(C(=O)Nc2cc(Br)ccc2-c2ccc(C(=O)O)o2)cc1 226356639 ZIGODMARCSPACU-UHFFFAOYSA-N 414.255 5.222 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253609247 JQMQKOQOLPGBBE-USRDYOILSA-N 402.663 6.648 0 40 HKAB C[C@@H]1O[C@@H]2c3cc(CCC(=O)O)ccc3OC(C)(C)[C@H]2C[C@H]1c1ccc(Cl)cc1 257220276 DKFXBMWBWAGQJV-OMABIOOLSA-N 414.929 5.778 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(Sc4ccccc4)cc3)N21 260769310 LLTLVLQMZCXKKC-YSZBQJHXSA-N 417.603 6.212 0 40 HKAB Cc1cc(Br)ccc1NCc1cccc(OCc2cccc(Cl)c2)c1 408606217 HRMFXKAOBOXVPK-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccccc3C)n2)c1 408699904 WYJZLLZIXHWWTO-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB CCOc1c(Cl)cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1Cl 409097409 NOAPKROXEUUXDT-XGICHPGQSA-N 402.199 5.904 0 40 HKAB Cc1s/c(=N\C(=O)c2cccc(Cl)c2)n(C)c1-c1ccc(Br)cc1 409196211 NYSYWWXANNBUJE-UZYVYHOESA-N 421.747 5.219 0 40 HKAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H](C)Oc1ccccc1 409349820 WGRQMGUGVJQJPI-CYBMUJFWSA-N 408.354 6.037 0 40 HKAB CN(C)C[C@H]1CCc2cc(NC(=O)c3ccc(-c4ccc(F)cc4)cc3)ccc2C1 603684 GXAQELJVODWLDD-SFHVURJKSA-N 402.513 5.412 0 40 HKAB in-vivo COc1ccc([C@H]2CC(=O)Nc3c2ccc2ccccc32)cc1OCc1ccccc1 853763 ZPVHTEDAPOYHNW-HSZRJFAPSA-N 409.485 5.902 0 40 HKAB CCCCOC(=O)c1ccc(Nc2ncnc3ccc(Br)cc23)cc1 1778613 SQPCIVCYFFDOPN-UHFFFAOYSA-N 400.276 5.093 0 40 HKAB Cc1ccc(-c2nnc3sc([C@H](C)c4ccc(-c5ccccc5)c(F)c4)nn23)cc1 2182983 ZWCNLJMFYXGERC-MRXNPFEDSA-N 414.509 6.119 0 40 HKAB O=C(Cc1ccccc1)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 2230466 SSOUWXLAPLBVMD-UHFFFAOYSA-N 423.266 5.144 0 40 HKAB COc1ccc(-c2cn3cc(-c4ccc(Br)cc4)c4c3n2CCCC4)cc1 2327169 PNWHRALBPMDNIB-UHFFFAOYSA-N 421.338 6.182 0 40 HKAB CC(C)Oc1cccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)c1 2437567 WPJYAAZPISAMFC-UHFFFAOYSA-N 410.521 5.613 0 40 HKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)cc1 2446661 GGCFPJXRLXIFDF-UHFFFAOYSA-N 422.598 5.556 0 40 HKAB Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C)C(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 2657551 CHNADGBZHOZAEU-GOSISDBHSA-N 404.510 5.215 0 40 HKAB CCCN(CCC)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 2714717 LKCHWNQONAOZLX-UHFFFAOYSA-N 400.526 5.723 0 40 HKAB COc1cc(/C=C/C(=O)Oc2cccc(Oc3ccccc3)c2)cc(OC)c1OC 3248353 WRNZFFDBMBUCJB-OUKQBFOZSA-N 406.434 5.124 0 40 HKAB COc1cc(Cl)c(C)cc1NC(=O)CCN1c2ccccc2Sc2ccccc21 3299892 VZMVJMAUZJUZSM-UHFFFAOYSA-N 424.953 6.289 0 40 HKAB Cc1cc(C(=O)COc2ccc3oc4ccccc4c3c2)c(C)n1C[C@H]1CCCO1 3355061 FIHFNVWIDDSPNZ-LJQANCHMSA-N 403.478 5.445 0 40 HKAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2cc(C)ccc2C)cc1 3416298 OGYNZXYQQRNZTJ-FOCLMDBBSA-N 407.517 6.116 0 40 HKAB Cc1ccc(C(=O)c2c(NC(=O)c3ccc(C(C)(C)C)cc3)sc(C)c2C)cc1 4129673 NRKUAROEMAYMMB-UHFFFAOYSA-N 405.563 6.454 0 40 HKAB COc1ccccc1NC(=O)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 4150574 XOEWGIOXIAIDSZ-PQZCAHFCSA-N 424.544 6.244 0 40 HKAB Cc1cc(C)cc(NC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)c1 4554456 OFLUHWLBPNAOJK-UHFFFAOYSA-N 406.938 6.794 0 40 HKAB CN(C)CCN(C(=O)c1cccc(Oc2ccccc2)c1)c1nc2ccccc2s1 4585287 ASXBFIYQZHLDRM-UHFFFAOYSA-N 417.534 5.297 0 40 HKAB CCc1ccccc1/N=c1\oc2c(OC)cccc2cc1S(=O)(=O)c1ccccc1 4937809 FQURFFSZDGDYGD-IZHYLOQSSA-N 419.502 5.069 0 40 HKAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2cc(Cl)ccc2C)cc1 5065761 RSMWXOBOVORAFF-UHFFFAOYSA-N 400.869 5.606 0 40 HKAB COc1ccc(NC(=O)c2ccc(CSc3nc4ccc(OC)cc4[nH]3)cc2)cc1 5489850 QEAXAINJJQEKRX-UHFFFAOYSA-N 419.506 5.125 0 40 HKAB COc1cccc(-c2nc(Oc3ccc(Cl)c(Cl)c3)c3ccccc3n2)c1O 5573303 LHULTKPNXLKESJ-UHFFFAOYSA-N 413.260 6.110 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 6160574 PRBSBSZAKCADCW-UHFFFAOYSA-N 407.857 5.153 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2cccc3ccccc23)cc1OCc1ccccc1 6229573 PMJBYQPAEVZWPY-UHFFFAOYSA-N 417.892 6.333 0 40 HKAB CCCCOc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(CC)cc32)cc1 6480936 XINLSIOJXBRPRC-UHFFFAOYSA-N 415.512 6.001 0 40 HKAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(C(C)(C)C)cc2)cc1 6630452 KLEPVCWQYDUVQN-UHFFFAOYSA-N 416.521 5.403 0 40 HKAB COc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 6966781 UGEVVOIWTASFOP-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc(C)c(C)c(C)n2)c2ccccc2)c1 7252531 KLAOAAYJRUZUPH-NRFANRHFSA-N 405.523 5.077 0 40 HKAB C[C@H](Nc1ncnc2cc(-c3ccc(F)cc3)sc12)c1ccc(-n2ccnc2)cc1 8013251 KRZPWFNTZWBECY-HNNXBMFYSA-N 415.497 5.856 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C)c2ccc3ccccc3c2)c1 8344896 QQQRPRBBTABGSU-INIZCTEOSA-N 400.478 5.515 0 40 HKAB Cc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCC4)cc1Cl 9374803 RHJXLVPYLXGTFP-UHFFFAOYSA-N 423.925 5.841 0 40 HKAB COc1cc(OC)c(NC(=O)c2ccc3nc(-n4cccc4)sc3c2)cc1Cl 9576809 ZZNJDJJBQUDDAU-UHFFFAOYSA-N 413.886 5.010 0 40 HKAB CC(=O)N(c1nc(/C=C/c2nc3cc(Cl)ccc3o2)cs1)c1ccccc1F 12807676 MEZVITRJPDFBJV-VQHVLOKHSA-N 413.861 5.932 0 40 HKAB O=C(CCC(=O)N1CCc2sccc2[C@@H]1c1cccs1)c1ccc2c(c1)CCC2 14200812 FOBCVFZCHGYIFK-XMMPIXPASA-N 421.587 5.436 0 40 HKAB CCCCOc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN21 15016754 YJYUIXFKRBVHDI-HYBUGGRVSA-N 404.535 6.169 0 40 HKAB Cc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4Cl)cc3c2C)cc1 15729480 LQIWJECLUISDQX-UHFFFAOYSA-N 403.865 6.186 0 40 HKAB biogenic Cc1nccn1Cc1cccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1 19718300 FWSKRJDIPRXYGD-UHFFFAOYSA-N 419.488 5.102 0 40 HKAB Cc1cccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1C 20050805 WMUXYGUXCHDVOP-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)cc1 20571197 MQQZTTPVHSMPMD-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCC[C@@H]3c3cccs3)c2n1 21844082 XCMCTIMJRRNOPT-MRXNPFEDSA-N 421.349 5.654 0 40 HKAB Oc1nc(CN2CCc3sccc3[C@H]2c2cccs2)nc2cc(Cl)ccc12 21902157 QQQUBJHELHBUSB-IBGZPJMESA-N 413.955 5.260 0 40 HKAB CSc1ccc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)c1 31961115 KELWJWXZTITTKD-UHFFFAOYSA-N 409.960 5.031 0 40 HKAB O=C(CSCc1csc(-c2ccsc2)n1)Nc1ccccc1C(F)(F)F 32779129 QGIQJXXXJGBRLA-UHFFFAOYSA-N 414.499 5.762 0 40 HKAB COc1ccc([C@H]2CCCN2C(=O)c2cc(Br)ccc2Cl)cc1OC 32895169 MBFCQJRFOQQBAK-MRXNPFEDSA-N 424.722 5.097 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2cc(C)ccc2C)cc1 33579357 MDXXGTHUYLBKHZ-UHFFFAOYSA-N 417.933 5.800 0 40 HKAB COC(=O)c1c(NC(=O)N2CCC[C@@H]2c2ccccc2Cl)sc2c1CCCC2 35476555 FSHJYUNDEMYZGY-MRXNPFEDSA-N 418.946 5.436 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccc(Br)c(C)c2)cc1 38771834 AQMOBLQMNMUETE-HXUWFJFHSA-N 420.347 5.049 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38853466 HVMNUPQYFYRFSS-UHFFFAOYSA-N 415.723 5.637 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1Cl 46078442 LPCHDZWMUKNVON-UHFFFAOYSA-N 404.897 5.494 0 40 HKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)NCc4ccc(Cl)cc4)ccc32)c1 46078654 RRVBIIUIZVTMTL-UHFFFAOYSA-N 418.924 5.171 0 40 HKAB O=C(/C=C/c1cc2cc(Br)ccc2o1)Nc1cccc(C(F)(F)F)c1 67339411 GAJWEZPRPNOBPP-FNORWQNLSA-N 410.189 5.866 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC(c3nc(-c4ccccc4)c(C)o3)CC2)c1 72304927 YCKPBRUMJGFKSE-IBGZPJMESA-N 417.553 5.473 0 40 HKAB O=C(CCc1ccc(C(F)(F)F)cc1)NCc1ccc(C(=O)c2ccsc2)s1 96119917 SFWKUOONLXLVFW-UHFFFAOYSA-N 423.481 5.308 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCC(=O)O)C1 118925352 JBALICPRCDQXRA-CLIQUIJHSA-N 416.602 5.998 0 40 HKAB CO[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@]312 118936340 DSVYQBSADVVKNY-YSLYKJMBSA-N 400.691 7.733 0 40 HKAB O=C1S/C(=C/c2cccc3ccccc23)C(=O)N1Cc1ccc(Cl)cc1Cl 214407553 RMVAEPFANCQWGT-VXLYETTFSA-N 414.313 6.383 0 40 HKAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1c(F)cccc1Cl 216381242 CYEDLMOYPXYAQZ-QGZVFWFLSA-N 416.345 5.340 0 40 HKAB CC(C)CSc1nnc(NC(=O)c2ccccc2SCc2ccccc2)s1 223390661 JLFHYNRVWDYCBU-UHFFFAOYSA-N 415.609 5.831 0 40 HKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225615391 JQOISLWDRAJYCC-NRFANRHFSA-N 418.622 5.356 0 40 HKAB COc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 257173590 RMEQTXYRULODMO-UHFFFAOYSA-N 422.337 5.100 0 40 HKAB CCC(=O)N[C@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cc(Cl)ccc2O)C1 257295794 QZWQLNPXPQYJRV-QKNQBKEWSA-N 408.325 5.577 0 40 HKAB CC1(C)CCC[C@]2(C)[C@@H](CBC[C@H]3[C@@H]4CC[C@@H]5[C@H]4C(C)(C)CCC[C@]35C)[C@@H]3CC[C@@H]2[C@H]31 299754699 IPXFSDFIJKJCCK-FPGNTGCKSA-N 422.550 8.237 0 40 HKAB CCOc1cc(/C=C/C(=O)Nc2ccc(Oc3ccccc3OC)cc2)ccc1OC 408604592 VPMBKEZJAYUKJS-MHWRWJLKSA-N 419.477 5.547 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4csc(C)n4)cc3)cc2)cc1 408618837 HCBLUVRMEKGJEL-UHFFFAOYSA-N 400.503 6.472 0 40 HKAB O=S(=O)(c1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1 408622336 BZBKBXIZFPSBSV-UHFFFAOYSA-N 410.297 5.528 0 40 HKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3)n2)cc1 408693721 CLHHIOAJAKJBJD-UHFFFAOYSA-N 416.456 5.033 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(Cl)cc2)c1C 408699382 WOAAEKVIYSTFQH-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)cc1 408775342 PMOOXRXTNXDYTH-VLOXRPPESA-N 410.926 5.762 0 40 HKAB COc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1OCc1ccccc1 408902681 PULQOEBMMKRCLS-PXLXIMEGSA-N 417.486 5.515 0 40 HKAB COc1ccccc1N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409056632 NGAQHLHKYQVKJN-UNOMPAQXSA-N 411.866 5.850 0 40 HKAB CC(C)CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c2ccccc21 409116604 MKFRBTRXZNGHBI-PDGQHHTCSA-N 412.316 6.797 0 40 HKAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC(C)C 663943 KLGNOJIJBFVBHT-UHFFFAOYSA-N 414.962 5.294 0 40 HKAB O=C(NCc1cccs1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 820456 UJKCDUMVRYOABJ-UHFFFAOYSA-N 410.502 5.055 0 40 HKAB Clc1cccc(Cl)c1CSc1nnc(-c2ccncc2)n1-c1ccccc1 886444 IYAPQMSBPUCXBP-UHFFFAOYSA-N 413.333 5.928 0 40 HKAB CCSc1nc2ccc(NC(=O)CSc3nc4ccccc4[nH]3)cc2s1 1436895 WHIMGTOHGZWBJB-UHFFFAOYSA-N 400.554 5.015 0 40 HKAB O=C(Nc1nc2ccc(Br)cc2s1)c1cccc(Br)c1 1512705 UIAHFNGYZBDRSS-UHFFFAOYSA-N 412.106 5.074 0 40 HKAB CCCCSc1nc2c(c(=O)n1Cc1ccccc1)[C@](C)(CC)Cc1ccccc1-2 1772152 NXZGFGXTDPYSRU-AREMUKBSSA-N 418.606 6.075 0 40 HKAB Clc1ccc(CSc2nnc3c4c5c(sc4ncn23)CCCC5)cc1Cl 1820447 SEAKCPKPQCRSRP-UHFFFAOYSA-N 421.378 5.817 0 40 HKAB CC(C)Cc1ccc(/C=C/C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)cc1 2049297 VTGACCVNKISPMX-VAWYXSNFSA-N 416.487 5.266 0 40 HKAB Cc1ccc(C)c(COc2ccc3c(-c4cc5ccccc5oc4=O)cc(=O)oc3c2)c1 2119958 KERCSLDFNDMWRO-UHFFFAOYSA-N 424.452 5.762 0 40 HKAB biogenic CCc1ccc([C@]2(C)CC(C)(C)N(C(=O)Cc3ccc(F)cc3)c3ccccc32)cc1 2305965 DLNCISIYOUPHIQ-NDEPHWFRSA-N 415.552 6.452 0 40 HKAB CCOc1ccc(N[C@@H](CC(=O)c2ccccc2)c2ccc(Br)cc2)cc1 2321844 TWIIEUNZRGYGSY-QFIPXVFZSA-N 424.338 6.274 0 40 HKAB CCC(CC)COC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 2349447 HVYXDZRUHVLFBI-UHFFFAOYSA-N 416.525 5.366 0 40 HKAB CN(C)CCOc1ccc(/C(=C(\Br)c2ccccc2)c2ccccc2)cc1 2389546 IAJYQHATSIOBSH-VHXPQNKSSA-N 422.366 5.939 0 40 HKAB in-vitro CCCCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 2594164 VATWQFSVLGMGSE-UHFFFAOYSA-N 406.448 5.737 0 40 HKAB Cc1nc2c(oc3ccccc32)c(-c2cccs2)c1C(=O)c1ccc(Cl)cc1 2631610 SOEHWPJYGCLAOJ-UHFFFAOYSA-N 403.890 6.902 0 40 HKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc(Br)c1 3204199 OUUHQROOSNJRGB-UHFFFAOYSA-N 409.308 5.978 0 40 HKAB COc1cccc(NC(=O)[C@H](OC(=O)c2c(F)cccc2Cl)c2ccccc2)c1 3382541 SCBYQMQWDQFZGN-HXUWFJFHSA-N 413.832 5.025 0 40 HKAB O=C(NCCn1cc(SCc2ccccc2Cl)c2ccccc21)c1ccccc1 4059790 OTJQCLUGQQUNBZ-UHFFFAOYSA-N 420.965 6.017 0 40 HKAB O=C(CSc1nccc(-c2ccc(Cl)cc2)n1)Nc1cccc2ccccc12 4967876 UOFRCFFFUHLITD-UHFFFAOYSA-N 405.910 5.681 0 40 HKAB CCc1cccc2c(C(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)c[nH]c12 5332864 YTRNBTUFFKHSDA-UHFFFAOYSA-N 420.513 5.438 0 40 HKAB C[C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)N[C@@H]1CCCc2ccccc21 5391932 PREQOMJXQRQLBK-FZKQIMNGSA-N 413.930 5.064 0 40 HKAB Cc1nc(C[S@@](=O)c2ccc(Cl)cc2)cc(Sc2ccc(Cl)cc2)n1 5423534 LPMAVAQLWAYMQP-VWLOTQADSA-N 409.363 5.551 0 40 HKAB Cc1cccc(C)c1NC(=O)[C@]1(c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 5451988 QRNLYBMOUJIAJX-XMMPIXPASA-N 404.897 5.228 0 40 HKAB C[C@@H](Sc1nc2ccccc2o1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 5628753 CGFIWJADSJZMSF-MRVPVSSYSA-N 401.702 5.907 0 40 HKAB Brc1ccc(C2=NN=C(c3ccccc3)C=C(c3ccccc3)C2)cc1 5773074 ZIJNLHPCAQQOTG-UHFFFAOYSA-N 401.307 6.130 0 40 HKAB CC(C)c1ccc(O[C@@H](C)c2nnc(SC(=O)c3ccc(Cl)cc3)n2C)cc1 6390396 LYSHSRBZKREDEP-AWEZNQCLSA-N 415.946 5.664 0 40 HKAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)C1=O 6629526 RCNLUNKDVOEPBO-RCCKNPSSSA-N 411.571 5.387 0 40 HKAB Cc1nc(-c2ccc(NC(=O)c3cccc(OCc4c(C)noc4C)c3)cc2)cs1 8129043 FLGJJHUNSNLBMW-UHFFFAOYSA-N 419.506 5.555 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)c2ccccc2)cc1 8318200 YUISSFAIXOMMGZ-UHFFFAOYSA-N 416.340 5.153 0 40 HKAB Cc1ccc(CSc2nnc(NC(=O)c3c(-c4ccccc4)noc3C)s2)cc1 8744710 BXHQQUFQXFHKNA-UHFFFAOYSA-N 422.535 5.355 0 40 HKAB Cc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)Cc3ccc(Cl)s3)nc12 10061459 XQANVXXCSWKETI-ZDUSSCGKSA-N 406.960 5.074 0 40 HKAB CSc1ccccc1C(=O)N(C[C@H]1CCCO1)c1nc2c(Cl)cccc2s1 10871986 URVAVHZYBFZNLW-CYBMUJFWSA-N 418.971 5.497 0 40 HKAB O=C(CSc1ccccc1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 11340473 FAFKPDYPUDAEJE-UHFFFAOYSA-N 413.546 5.007 0 40 HKAB O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 11617472 RDWMNWATVOLMHU-UHFFFAOYSA-N 420.921 6.148 0 40 HKAB Cc1cccc(OCCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)c1C 12539624 CERHZBCZJZGSIX-UHFFFAOYSA-N 417.509 5.035 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H](N[C@H](C)c1cc2ccccc2o1)c1ccccc1 12813626 IFMNCHLWKKYWJI-IQGLISFBSA-N 414.505 5.780 0 40 HKAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCC)cc2)n2c(nc3ccccc32)N1 13634838 HIANUFFVDFKVAH-JOCHJYFZSA-N 405.498 5.067 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 14739619 QLRHWCWGAJCFFY-UHFFFAOYSA-N 422.550 5.196 0 40 HKAB CC[C@@H](C)c1ccc(-c2nc3c(Br)c(N)c(Br)cc3o2)cc1 16610571 LOVYHULWBFGPDB-SECBINFHSA-N 424.136 6.116 0 40 HKAB CN(C(=O)OCc1ccccc1)[C@@H](CN1CCCC1)c1ccc(-c2ccccc2)cc1 16698307 CKHDLPVAQQRVJM-SANMLTNESA-N 414.549 5.759 0 40 HKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)C(C)C 17088954 JLPAFGYSYVVWEE-UHFFFAOYSA-N 411.527 5.096 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(C(=O)c2ccccc2)cc1 17178315 CLJISLJUKMRSQJ-UHFFFAOYSA-N 418.452 5.978 0 40 HKAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1C 20196866 QCBBOQBZLCCBRJ-UHFFFAOYSA-N 422.337 5.315 0 40 HKAB O=C(OCc1csc(-c2ccccc2)n1)c1csc(NCc2ccccc2)n1 21462143 ZIHUZXPKBKMMGL-UHFFFAOYSA-N 407.520 5.236 0 40 HKAB COc1cccc(CN(C)[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1OC 22374012 DZINHKXVYNZSME-XMMPIXPASA-N 414.505 5.241 0 40 HKAB CC(C)c1ccc(CC(=O)Nc2nnc(SC/C=C/c3ccccc3)s2)cc1 27985990 VJAHAKZGVHBZHP-RMKNXTFCSA-N 409.580 5.648 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)CSCc2c(F)cccc2Cl)cc1 30860085 BQIAVWIREHEDDQ-HXUWFJFHSA-N 409.954 5.625 0 40 HKAB CC(C)c1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1 32116364 UYPBJXHTLNJFHS-UHFFFAOYSA-N 413.109 5.293 0 40 HKAB c1ccc(-c2cnc(Sc3nc(-c4cccnc4)nc4ccccc34)n2C2CC2)cc1 32899486 KRKNVOKKEJQCAK-UHFFFAOYSA-N 421.529 6.041 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1 39766397 NWIVWBXCIKSJCW-UHFFFAOYSA-N 415.723 5.637 0 40 HKAB COc1ccc(-c2nc(C(=O)N(c3ccccc3)C3CCCCC3)cs2)cc1OC 40157878 BJZPTWGEFBGIOY-UHFFFAOYSA-N 422.550 5.807 0 40 HKAB Nc1c(Br)cc(Br)cc1-c1nc2ccc(F)cc2s1 45920018 JBTZQSHJPLZIPQ-UHFFFAOYSA-N 402.086 5.210 0 40 HKAB O=C(c1cccc(Cl)c1)N1C(=S)C(c2ccc(F)cc2)=NC12CCCCC2 45933291 VHZQSLFFQLFLTH-UHFFFAOYSA-N 400.906 5.412 0 40 HKAB CCCc1ccc([C@@H](NC(=O)c2cn(C)nc2-c2ccncc2)c2cccs2)cc1 48288605 JRTYQLVZCLQBSL-HSZRJFAPSA-N 416.550 5.016 0 40 HKAB O=C(c1cccc2ccccc12)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57317275 NKSYARWBJJVZJO-UHFFFAOYSA-N 422.809 5.012 0 40 HKAB Cc1ccc(-n2nc(-c3nc(-c4cccc(Cl)c4)no3)c3ccccc3c2=O)cc1 64949618 SVVZUZJDTZRPDP-UHFFFAOYSA-N 414.852 5.065 0 40 HKAB COc1ccc([C@@H]2C(CN3CCCCC3)=C(c3cccs3)Oc3ccccc32)cc1 71405269 XBAFRWPAEFXLCU-VWLOTQADSA-N 417.574 6.178 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(Oc3ccccc3)nc2)cc1 72212178 LSJIFABRHMPDFP-QFIPXVFZSA-N 408.523 5.098 0 40 HKAB CCCCN(C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)[C@@H](CC)c1ccccc1 72285134 RVHQVGKKCPQZGA-DQEYMECFSA-N 404.554 5.731 0 40 HKAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCc2ccc(Cl)cc2)C12CCCC2 96343887 IJPNORVJZWWJAT-QFIPXVFZSA-N 424.972 5.309 0 40 HKAB C[C@H]1CN(c2ccccc2NC(=O)N[C@H](c2cccs2)C(C)(C)C)C[C@@H](C)O1 106626523 AMOXPNGDDDEVGE-GQIGUUNPSA-N 401.576 5.271 0 40 HKAB CC(=O)N(c1ccc(C)cc1)c1nc(CN2C[C@H](c3ccccc3)O[C@H](C)C2)cs1 106927971 CMIZEQACXMKMKC-WZONZLPQSA-N 421.566 5.098 0 40 HKAB O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1Cc1cccc2ccccc12 214850211 DDSSKKZKUHGTIQ-WOJGMQOQSA-N 414.313 6.383 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)NCCOc3ccc(C)cc3C)cc2)cc1 223458714 YPYQDMMXQFQYFW-UHFFFAOYSA-N 405.563 5.713 0 40 HKAB CC(C)(C)c1ccc(OCCNC(=O)c2cccc(OCc3ccccc3)c2)cc1 224271055 IUMDXWNGMCDRLY-UHFFFAOYSA-N 403.522 5.372 0 40 HKAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccc(C)c(C)c1 224623661 JAUJGSQPTPKJAF-UHFFFAOYSA-N 403.522 5.553 0 40 HKAB COc1ccccc1CNC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 225191567 JLLAPGYQYZLCBE-UHFFFAOYSA-N 415.971 5.381 0 40 HKAB Cc1ccc2[nH]c(-c3ccc(C(=O)NC(c4ccccc4)c4ccccc4)cc3)nc2c1 225264494 HAABSGFOXHGFAT-UHFFFAOYSA-N 417.512 6.058 0 40 HKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)C(C)C 225760793 VSQCINVKMCSPOL-XMMPIXPASA-N 420.647 6.971 0 40 HKAB Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1-c1ccc(C(=O)O)o1 226355550 PXMIQJCNKXHWNQ-UHFFFAOYSA-N 422.506 5.203 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3c(C)cc(N)cc3Cl)o2)cc1Cl 227145924 ZQZACFPGOFSDSI-SOFGYWHQSA-N 401.293 6.104 0 40 HKAB Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)o1 260763107 INXFKVGVRHICLX-XMDBHEJHSA-N 409.942 5.893 0 40 HKAB Cc1cc(Br)ccc1NCc1ccc(OCc2ccc(Cl)cc2)cc1 408602905 BJOTVTQJJLQFKE-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(F)cc3)n2)cc1 408698543 NXZYJWNQMZPCBK-UHFFFAOYSA-N 420.875 5.542 0 40 HKAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408705753 MUEZRYCARUJCFM-JOCHJYFZSA-N 423.896 5.376 0 40 HKAB Cc1ccc(COc2ccc(/C=C3/C(=O)N(C4CCCCC4)C(=S)N3C)cc2)cc1 409083011 UMYWDIXDIONUAA-KQWNVCNZSA-N 420.578 5.307 0 40 HKAB Cc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccncc2)cc1C 409099809 UGPSIWAMVQQBHV-UHFFFAOYSA-N 422.557 6.392 0 40 HKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 409270955 SFLOOYNHFMTZCA-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3cccc(Cl)c3Cl)n2)cc1 409387058 ZFSVGQKENZEEAE-UHFFFAOYSA-N 418.349 5.798 0 40 HKAB CC(C)CC(=O)N1CCOCCOc2ccc(C(C)C)cc2Cc2cccc(c2)C1 643565459 ZOKLWYPNPGWJGR-UHFFFAOYSA-N 409.570 5.185 0 40 HKAB CN(C(=O)OC(C)(C)C)C1CCC(Cc2cccc(-c3cnc4ccccn34)n2)CC1 2037838575 PDLZGLHNIAKRPY-UHFFFAOYSA-N 420.557 5.365 0 40 HKAB CCOC(=O)c1c(C)n(CCOc2cccc(OC)c2)c2c1cc(O)c1ccccc12 717643 WJVUPOUYPBUISN-UHFFFAOYSA-N 419.477 5.073 0 40 HKAB O=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCO3)N1c1ccc(Cl)c(Cl)c1 841093 UKSZLACEBWNHBE-HXUWFJFHSA-N 413.260 5.493 0 40 HKAB CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(C)c(NC(=O)c3ccc(C)cc3)c2)c1C 843506 JUZFPOWBKFUVEM-UHFFFAOYSA-N 402.494 5.368 0 40 HKAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1 844002 XWIMFRZMIVKVBZ-UHFFFAOYSA-N 414.852 5.586 0 40 HKAB Cc1c(Cl)ccc2c(C(=O)OCC(=O)c3ccccc3)cc(-c3cccs3)nc12 993235 NYYLRKNIMWDTFR-UHFFFAOYSA-N 421.905 5.965 0 40 HKAB CC[C@@H](C)c1ccc(N2C[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 1459920 ITLLNJZEFJIHRH-HIFRSBDPSA-N 405.325 5.499 0 40 HKAB CCOc1cc(-c2cccs2)c/c(=N\c2ccc(C)cc2C)c2c(C)oc(C)c12 1788471 BXIZMXSVFMPIKY-YYADALCUSA-N 403.547 7.026 0 40 HKAB biogenic CCCCN(C)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 1829692 KUSRFHGPDCFXBH-UHFFFAOYSA-N 402.567 6.022 0 40 HKAB CC[C@H](OC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(=O)c1ccccc1 2079105 WFOJWCFJPCNTDO-NRFANRHFSA-N 412.445 5.222 0 40 HKAB Cc1cc2oc(=O)cc(COc3ccc4c(=O)c(-c5ccccc5)coc4c3)c2cc1C 2093688 JTYYHSPDVLJFOJ-UHFFFAOYSA-N 424.452 5.762 0 40 HKAB biogenic O=C(c1ccccc1)c1c(-c2ccccc2)cc(-c2ccccc2)c2c1C(=O)CCC2 2146244 NFWVBSBJMKUMHV-UHFFFAOYSA-N 402.493 6.771 0 40 HKAB COc1cc(OC)cc(-c2nc(-c3cccc4ccccc34)c(-c3ccccc3)[nH]2)c1 2185688 HBLVATCKHVQYFW-UHFFFAOYSA-N 406.485 6.581 0 40 HKAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)c(Cl)c1 2270414 QMJANZLGPKOJSM-RUZDIDTESA-N 424.371 7.129 0 40 HKAB CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccc(C)c1 2444265 ABSNDRJPDMJCEJ-UHFFFAOYSA-N 421.353 5.311 0 40 HKAB Cc1cc(SCC(=O)Nc2cc(C(C)(C)C)cc(C(C)(C)C)c2)nc2ccccc12 2889215 YJHSNZKPAWHGED-UHFFFAOYSA-N 420.622 6.869 0 40 HKAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N(CC(F)(F)F)c1ccccc1 2890651 DMKCEFKUIVONLY-UHFFFAOYSA-N 417.758 5.116 0 40 HKAB Cc1cccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3c(Cl)cccc23)c1 3017054 NHUVNEBMROBWRS-UHFFFAOYSA-N 400.909 6.733 0 40 HKAB CCc1nc2c3cc(OC)c(OC)cc3nc(SCc3c(C)cc(C)cc3C)n2n1 4050895 GHEPFRWEGNXRLM-UHFFFAOYSA-N 422.554 5.075 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)c1 4487840 KWGFAXPILXFJHL-UHFFFAOYSA-N 410.495 5.050 0 40 HKAB Cc1ccc(NC(=O)CSC2=NC3(CCC(C)CC3)N=C2c2ccc(C)cc2)cc1 4891559 XBABFGTVYWPHLI-UHFFFAOYSA-N 419.594 5.783 0 40 HKAB CCc1ccc([C@H]2CC(=O)c3c([nH]c(C(=O)OCCOc4ccccc4)c3C)C2)cc1 4911884 BVISFLNVCYDHMM-HXUWFJFHSA-N 417.505 5.034 0 40 HKAB COc1ccc(/C=C/c2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1 5235216 QEKUNNGCKIOSAT-OVCLIPMQSA-N 404.897 5.948 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1ncnc2sccc12)c1ccccc1 6115328 VDUIMZLLEYKUSW-HXUWFJFHSA-N 401.516 5.889 0 40 HKAB Cc1cc2oc(=O)cc(CSc3nnc(-c4ccccc4)n3C)c2cc1C(C)C 6140124 VLIXXFRTGDULBY-UHFFFAOYSA-N 405.523 5.313 0 40 HKAB CCCOc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(OC)cc32)cc1 6500712 ISHIALDCVPBYSK-UHFFFAOYSA-N 419.912 5.571 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(C(=O)c2ccccc2)cc1 6720128 NBKMTUSUOSBZEU-UHFFFAOYSA-N 417.468 5.713 0 40 HKAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2nc(-c3ccncc3)cs2)cc1 6830890 SVGXVNSSVOBBBM-UHFFFAOYSA-N 406.536 5.127 0 40 HKAB Clc1ccc(-c2c[n+](C(c3ccccc3)c3ccccc3)c3n2CCC3)cc1Cl 6927307 AQKBUZCFPMZYJQ-UHFFFAOYSA-N 420.363 6.333 0 40 HKAB COc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 6966323 VMJYABDZVJRCPQ-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)c1C 7343668 QQMIQDWOWCMAIE-QFIPXVFZSA-N 409.533 5.416 0 40 HKAB CCOc1cc(CNC[C@@H]2CCCO2)cc(Cl)c1OCc1ccccc1Cl 8254119 MQGFISNQDVFCGX-KRWDZBQOSA-N 410.341 5.240 0 40 HKAB Cc1csc(SCc2c(C(=O)N[C@H](C)c3cccs3)oc3ccccc23)n1 8323952 XWRHFIZKBWKYKI-CYBMUJFWSA-N 414.577 6.043 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)(C)C)cc1)N(c1ccccn1)C3=O 8827485 QHVQNJIZVCLLKG-QHCPKHFHSA-N 424.500 5.544 0 40 HKAB CCCCOC(=O)c1ccc2nc(NC(=O)Cc3ccc(Cl)cc3)sc2c1 8903206 YDTHWSQJTWEDOV-UHFFFAOYSA-N 402.903 5.088 0 40 HKAB COc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2cccc(C)c2)cc1 9303068 KGVWAGMGJAWDHA-UHFFFAOYSA-N 419.864 5.683 0 40 HKAB O=C(O)c1cccc(Oc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)c1 9356485 IJDJDSMZKCDQTC-UHFFFAOYSA-N 419.458 5.131 0 40 HKAB C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccccc3Cl)C[C@H]12 9367772 CNJPGFFQFAETRQ-GGUMBDAGSA-N 410.985 6.226 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1nc(-c2cc(F)ccc2F)cs1 12745159 CIFMEJSBGZEKIH-UHFFFAOYSA-N 420.484 6.249 0 40 HKAB Cc1noc(C)c1COc1ccc2c(=O)c(-c3c(F)cccc3Cl)c(C)oc2c1 12769157 GVQUABNWDIMJHZ-UHFFFAOYSA-N 413.832 5.745 0 40 HKAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 13568040 NAIHLOOZSGXQKX-UHFFFAOYSA-N 414.248 5.458 0 40 HKAB Clc1cccc(Cl)c1[C@@H]1C=C(c2ccc(-c3ccccc3)cc2)N=C2NN=NN21 13810881 FOGLZPFCIIFPGZ-FQEVSTJZSA-N 420.303 6.300 0 40 HKAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(-c2nc3ccccc3s2)cc1 14128682 WBIBYNMIQSGBRL-LJQANCHMSA-N 400.459 5.204 0 40 HKAB COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccc(Cl)cc4)cc3c2C)c1 15729494 CEMIPVQUUJRXNB-UHFFFAOYSA-N 419.864 5.887 0 40 HKAB biogenic CCCCCC(=O)NC(=S)Nc1ccc(O)c(-c2nc3cc(CC)ccc3o2)c1 17088948 UHXLTFOMMVHZFZ-UHFFFAOYSA-N 411.527 5.156 0 40 HKAB O=C(Nc1nc2c(Cl)cccc2s1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 17093700 BXDQNUANINBNOI-UHFFFAOYSA-N 423.708 6.769 0 40 HKAB Cc1ccc(N=c2c(C(=O)O)c[nH]c3c(C)c(Cl)ccc23)cc1Br 19793881 POCQBMQGLRQYOT-UHFFFAOYSA-N 405.679 5.131 0 40 HKAB COc1c2c(cc3c1[C@@H](CC(=O)CC/C=C(\C)CCC=C(C)C)N(C)CC3)OCO2 20112013 LSLGUUOXZXVOPO-VGPFOZRTSA-N 413.558 5.385 0 40 HKAB biogenic Clc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCO3)cc1 20188889 RRQPVYXDAFTDEL-UHFFFAOYSA-N 400.825 5.018 0 40 HKAB O[C@@](CNCc1ccc(Cl)c(Cl)c1)(c1ccccc1)c1ccc(Cl)cc1 20219110 QFDUAGXNYOOMPH-NRFANRHFSA-N 406.740 5.673 0 40 HKAB COc1ccc(OC)c(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 20451238 CPTCDUQENSJVTB-UHFFFAOYSA-N 409.507 5.127 0 40 HKAB Cc1nc(COc2cccc(/C=C/C(=O)N(Cc3ccccc3F)C3CC3)c2)cs1 22280632 KMVLPZNMFPGCDS-FMIVXFBMSA-N 422.525 5.374 0 40 HKAB CC(=O)N(c1nc(COC(=O)c2ccsc2)cs1)c1c(C)cc(C)cc1Cl 22538335 CDMQCXQFYGLDMI-UHFFFAOYSA-N 420.943 5.516 0 40 HKAB COc1cc(CN[C@@H](C)c2ccccn2)ccc1OCc1cccc(C(F)(F)F)c1 25358930 OYVMJNBMLNSFLY-INIZCTEOSA-N 416.443 5.539 0 40 HKAB COc1ccccc1[C@@H](CCNCc1ccc(S)cc1)c1ccc(OC(C)C)cc1 26504728 HNXVSQVIHFXVLA-DEOSSOPVSA-N 421.606 6.083 0 40 HKAB COc1cccc([C@H]2CC(O)=Nc3sc(C(=O)Nc4ccc(C)cc4)c(C)c32)c1 32091974 ADMIHLWWCNSHKL-GOSISDBHSA-N 406.507 5.749 0 40 HKAB COc1cc2c(cc1NC(=O)c1ccc(OCc3ccncc3)cc1)oc1ccccc12 32760994 KJPZNNQOCCXXIW-UHFFFAOYSA-N 424.456 5.821 0 40 HKAB OC1=NC(=S)S/C1=C\c1ccccc1OCc1ccc(Br)cc1 33702512 HUAMPSOSNWEVFQ-DHDCSXOGSA-N 406.326 5.357 0 40 HKAB Cc1ccc(SCc2nnc(NC(=O)c3ccc(Br)cc3)s2)cc1 35167449 JPQFRNOXZPKEOA-UHFFFAOYSA-N 420.357 5.154 0 40 HKAB O=C1C(O)=C(c2ccccc2)[C@@H](c2ccc(Cl)cc2)N1Cc1ccc(Cl)cc1 36475384 JBLWOQCDCQYUKI-OAQYLSRUSA-N 410.300 6.046 0 40 HKAB CCCN(Cc1ccc(C)cc1)C(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 40130915 FFZMRHCRBCIYSV-UHFFFAOYSA-N 421.562 5.021 0 40 HKAB Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2nccc3ccccc23)n1 40556474 LTFDWYDMMYUOJI-UHFFFAOYSA-N 423.567 5.851 0 40 HKAB Cc1ccc([C@H](C)NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1 57487315 AOPBAXKZAJTLHM-INIZCTEOSA-N 420.900 5.044 0 40 HKAB O=C1S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1c1ccccc1 59418140 BBTFDJBNOHNPRV-KGENOOAVSA-N 405.450 5.646 0 40 HKAB Cc1ccccc1-c1noc(-c2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)n1 64949884 BUVQLEYBBGUEPR-UHFFFAOYSA-N 414.852 5.065 0 40 HKAB Clc1ccc(-c2nc(-c3ccc(-n4nncc4-c4cccs4)cc3)cs2)cc1 69534032 BXQRVZIISJPMDQ-UHFFFAOYSA-N 420.950 6.440 0 40 HKAB C[C@]12[C@H](c3ccc(F)cc3)c3ccccc3O[C@]1(c1cccs1)C2(Cl)Cl 100166274 LGQNCDSWNAUXGK-AABGKKOBSA-N 405.321 6.501 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1 100748664 QXMLLPPWQYFRSJ-KCAOPCNBSA-N 407.469 5.190 0 40 HKAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](Sc1nc(-c3ccccc3)c(-c3ccccc3)o1)C2=O 100928425 UTQZKCXZZKAKBJ-YBGOQADZSA-N 403.547 6.495 0 40 HKAB C[C@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1c3cccc4cccc(c34)[C@H]12 104129310 YZJNINMFAVGVBQ-WRLHONTGSA-N 412.532 7.241 0 40 HKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OCC 106681777 KJFHJFIBEIWGAH-QNGOZBTKSA-N 411.523 5.501 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1O 214410953 WKGAVZMSRVVWKG-CAOOACKPSA-N 424.305 5.334 0 40 HKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 222911143 KNTHUPXIJCCWGP-SFTDATJTSA-N 410.974 5.154 0 40 HKAB CCc1ccc(CC)c(CNC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c1 223130413 UMOQVKSVUQCROF-UHFFFAOYSA-N 403.591 6.342 0 40 HKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224174699 GYYDGUYDAUDQOA-DNQXCXABSA-N 410.546 5.358 0 40 HKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 224562270 RYMOTQMSHSHKAE-XZOQPEGZSA-N 418.566 5.184 0 40 HKAB CCc1ccc(CC)c(CNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 224584675 ZBNROHVIUUUBSO-UHFFFAOYSA-N 407.941 5.974 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2C)cc1COc1cccc2ccccc12 224629445 AJWGPGSAFMPEGB-UHFFFAOYSA-N 411.501 6.378 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1CSc1ccccc1 224658527 ZHYVGPUWKYVTDK-QGZVFWFLSA-N 409.526 6.008 0 40 HKAB CC1(C)COc2ccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2OC1 225362183 KADYSLAGHDSDLD-UHFFFAOYSA-N 423.896 6.182 0 40 HKAB COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1C(F)(F)F 225956656 KMUZDUIJOHMDAD-UHFFFAOYSA-N 413.823 5.054 0 40 HKAB S=C(NCc1ccc(Cl)cc1)c1cccc(OCc2ccc(Cl)cc2)c1 408571215 AGDJNXOFMJLQTN-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB Cc1ccc(CNC(=S)c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408578195 WQIMJLBERBDPKE-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 408679528 NIHLHTIXQXUVRP-WOJBJXKFSA-N 416.521 5.200 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3Cl)nc2-c2ccccc2)cc1 408696131 WNYHEZUASKAUIW-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB O=C(Nc1ccccc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408703157 DURWZFHPOHFRSY-HSZRJFAPSA-N 422.937 5.367 0 40 HKAB CCCc1sc(NC(=O)c2ccc(F)cc2)nc1-c1ccc(Cl)cc1Cl 408821422 HDJZMQGGRXQYQP-UHFFFAOYSA-N 409.313 6.461 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1Cc3ccccc3[C@H]21 408994530 HXNKXLZIAREFGQ-PWRODBHTSA-N 420.306 5.618 0 40 HKAB COc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccccc1 409116199 JRDURDMQRPXMJO-UHFFFAOYSA-N 412.327 5.957 0 40 HKAB Cc1ccc(NC(=O)COc2cccc(CNc3ccc(Cl)cc3)c2)cc1Cl 409262422 DJWOEIWAMSRHCB-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB CCCc1ccc(OCc2nc(CCC)c(-c3ccc(Cl)cc3)cc2C(=O)O)cc1 585265052 DUIIUSXCUHXITL-UHFFFAOYSA-N 423.940 6.584 0 40 HKAB COc1ccc([C@@H]2CN(Cc3ccccc3)[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]32)cc1 1848354168 CHODEOJOZKUUCH-HJOGWXRNSA-N 422.569 5.063 0 40 HKAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 2037845897 HDIPWWKTURSNGB-SFHVURJKSA-N 419.912 5.420 0 40 HKAB CCc1cc2c(=O)n(-c3ccccc3)c(SCc3nc4ccccc4[nH]3)nc2s1 641136 QQOKRVITQJKEQO-UHFFFAOYSA-N 418.547 5.178 0 40 HKAB Cc1ccc(C)c(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)c1 715926 FEEVQEIYDAQFNS-UHFFFAOYSA-N 417.534 5.886 0 40 HKAB Cc1nn(C(=O)c2cc3c(s2)CCCC3)c(C)c1Sc1ccc(Cl)cc1 724017 VVOQYKPQZRVWDU-UHFFFAOYSA-N 402.972 5.933 0 40 HKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1cccc(C(F)(F)F)c1 729882 VLQAGTVPIKBFIU-UHFFFAOYSA-N 423.485 5.320 0 40 HKAB CCc1cccc2c(SCC(=O)N3CCCCC3)nc(-c3ccc(F)cc3)nc12 897841 MUJGWRAQUGLSLY-UHFFFAOYSA-N 409.530 5.103 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc5c(c4)OCCO5)c3)oc2c1 970768 IJWRYIURYASRRB-UHFFFAOYSA-N 400.434 5.135 0 40 HKAB biogenic,in-vitro COc1cccc(-c2cc3nc4c(c(NCc5ccc(F)cc5)n3n2)CCCC4)c1 1341738 WYVAWMHQDHLZPG-UHFFFAOYSA-N 402.473 5.035 0 40 HKAB C[C@H]1CCCC=C1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1cccnc1 1347676 MGMZECRYMHKNCF-FDDCHVKYSA-N 421.541 5.011 0 40 HKAB Cc1ccc2c(c1)nnn2C1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 1380658 ZKEZBJNEFAELHW-UHFFFAOYSA-N 411.509 5.335 0 40 HKAB O=C(Oc1ccccc1-c1ccccc1)c1cc2cc(Br)ccc2oc1=O 1771924 YNGDIDCZBXXNHH-UHFFFAOYSA-N 421.246 5.442 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c2ccccc12 2050680 CKVWBLVGKVSUMC-UHFFFAOYSA-N 405.453 6.174 0 40 HKAB CSc1nc(SCc2ccccc2Cl)c2c3c(sc2n1)COC(C)(C)C3 2220313 QNRLBYSOBXBGBU-UHFFFAOYSA-N 423.028 6.210 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)cc1 2227947 QNDJWMXJHIBMJC-CQSZACIVSA-N 414.962 5.380 0 40 HKAB COc1ccccc1[C@@H](CCN[C@@H](C)c1cccs1)c1ccc(OC(C)C)cc1 2256920 MOHXSJOGIDJNSF-UGKGYDQZSA-N 409.595 6.417 0 40 HKAB Cc1cc(C)n(-c2cc(Nc3ccc(-c4ccccc4)cc3)nc(-c3ccccc3)n2)n1 2761129 ZLWACUBNIKTSPM-UHFFFAOYSA-N 417.516 6.357 0 40 HKAB O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1ccc(Cl)cc1 3117719 OEHYDKPUCYVKDK-UHFFFAOYSA-N 417.679 6.707 0 40 HKAB Cc1sc2ncnc(SCC(=O)Nc3ccc(N4CCCCC4)cc3)c2c1C 3240414 PBCCFPHMHXKQSN-UHFFFAOYSA-N 412.584 5.029 0 40 HKAB CC(C)(C)c1ccc(OCCC(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3328622 JDXSSTOXIDERKQ-UHFFFAOYSA-N 424.324 5.242 0 40 HKAB C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(Br)cc4F)cc3c2C1 3377201 DUPAHDILZPPUGE-LLVKDONJSA-N 401.279 5.447 0 40 HKAB Cc1ccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 4240768 YSRDYPUOGNNEAT-DEOSSOPVSA-N 416.521 5.031 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)sc(C)c1C 4558410 RKKKDSVMDOOUSU-JTQLQIEISA-N 416.326 5.254 0 40 HKAB CCCOc1ccccc1C(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12 4660177 CVKJWAYGKAAGMB-UHFFFAOYSA-N 408.545 7.235 0 40 HKAB COc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3cccnc3)C[C@H]21 4715749 DWHXSYLAXCTONE-NFBKMPQASA-N 403.507 5.054 0 40 HKAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(C)cc2)n2c(nc3ccccc32)N1 4731519 KNKWVRFITFPPOT-DEOSSOPVSA-N 408.505 5.581 0 40 HKAB O=C(CSc1nc2ccccc2cc1Cc1ccccc1)Nc1ccccc1Cl 4848622 QEAJHUSGNCOUEA-UHFFFAOYSA-N 418.949 6.210 0 40 HKAB CCCCc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1 4941135 OYPFGRULMUZZFW-UHFFFAOYSA-N 418.928 5.977 0 40 HKAB COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccccc3Cl)cc2O)cc1 5451031 JKLAKEBNMRRLPJ-UHFFFAOYSA-N 406.869 5.690 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CC[C@H](C(C)(C)C)C2 5474318 YTUBZWJLQDYSPG-AWEZNQCLSA-N 419.974 5.982 0 40 HKAB O=C(O)c1cc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(Cl)cc2Cl)n1 5670928 DFAJOEYNKUODAE-UHFFFAOYSA-N 402.064 5.851 0 40 HKAB CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1nc2ccccc2n1CCc1ccccc1 5827888 QXMTYPJEYFVPQE-CTNGQTDRSA-N 421.610 5.551 0 40 HKAB CCc1ccc(NC(=O)[C@@H](C)Sc2ncnc3scc(-c4ccccc4)c23)cc1 5860780 BZNJJBRWLGDSFZ-OAHLLOKOSA-N 419.575 6.040 0 40 HKAB CCOc1c(Br)cc(/C=C/c2nc3cc(C)c(C)cc3s2)cc1OC 5869575 BUUXXHGIEFSGIW-VOTSOKGWSA-N 418.356 6.253 0 40 HKAB Cc1ccccc1NC(=O)CSc1nc2ccccc2n1CCc1ccccc1 6188021 KYGFJPNOHLTABW-UHFFFAOYSA-N 401.535 5.318 0 40 HKAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1c(-c2ccccc2)noc1C 6581963 WYBRGRKUJNKLFF-UHFFFAOYSA-N 404.388 5.710 0 40 HKAB CCOC(=O)c1ccccc1-n1c(C)cc(/C=C/C(=O)c2ccc(OC)cc2)c1C 7375708 RHCQAQJVKCBJSP-NTCAYCPXSA-N 403.478 5.176 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4c(C)cccc4C)C3)cc2)c1 7928305 AALRBJWJZFEKAS-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB CCc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc1 8107103 FQTGNVDUIPDJNH-SFHVURJKSA-N 408.542 5.060 0 40 HKAB COc1cc(CNC23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(Cl)cc1 8471462 IBCGHDMVMUYVAB-UHFFFAOYSA-N 411.973 5.986 0 40 HKAB C[C@@]12CC3CC(NCc4cc(Cl)ccc4OCc4ccccc4)(C1)C[C@](C)(C3)C2 8534511 XJCCQWRAOIPHJI-FMLGTGLNSA-N 410.001 6.758 0 40 HKAB CCCCOc1cccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1 8903626 KUIAZECXDNYPKZ-UHFFFAOYSA-N 412.511 5.293 0 40 HKAB CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc(OCc3cscn3)cc2)cc1 9416888 QIYBVVHJPXFQNH-QFIPXVFZSA-N 408.523 5.098 0 40 HKAB COc1ccccc1C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1C 9427513 AMOIPMZNXXYINP-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB Cn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccccc1F 9582317 MCKKLBCLNMCPPM-UHFFFAOYSA-N 418.497 5.078 0 40 HKAB COc1ccccc1[C@H](C)NC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 9751909 PPXWVHNGYDGRLT-KRWDZBQOSA-N 413.473 5.268 0 40 HKAB O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1cccc(Br)c1 10321272 JWDMSXIPSQVFCN-UHFFFAOYSA-N 405.679 5.329 0 40 HKAB C[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)c1nc(C(C)(C)C)no1 12753198 OFRKTYVTLJPKDA-VIFPVBQESA-N 412.993 5.850 0 40 HKAB O=C(CCCc1ccc(Br)s1)Nc1ccc(-c2nccs2)cc1 12999804 IENJKIKDPQVCCY-UHFFFAOYSA-N 407.358 5.596 0 40 HKAB O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@H](Sc1ccccc1)c1ccccc1 13018299 YPIYMOKJEQPGCW-OAQYLSRUSA-N 420.925 5.393 0 40 HKAB Cc1ccccc1OCC(=O)Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1 13839661 XKQZYHNCQNZAJB-UHFFFAOYSA-N 406.869 5.398 0 40 HKAB Cc1cc2c3c(c1)[C@]1(Nc4ccccc4S1)C(=O)N3C1(CCCCCC1)CC2(C)C 14162515 PVEIGFAZAAFJIT-AREMUKBSSA-N 418.606 6.487 0 40 HKAB COc1ccccc1[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 14240669 RRTFZTKPLFPZDF-HNNXBMFYSA-N 408.885 5.092 0 40 HKAB C=C(Cl)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(OCC)cc1 15513868 RNHHDQDIRVQGBL-UHFFFAOYSA-N 401.919 5.186 0 40 HKAB CCCCOc1cccc(C(=O)NC(=S)Nc2nc3c(C)ccc(C)c3s2)c1 17089670 ARYNOYAQZHZYKY-UHFFFAOYSA-N 413.568 5.219 0 40 HKAB COc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1Cl 17093437 IKABMJVDPXVWEB-UHFFFAOYSA-N 423.243 5.148 0 40 HKAB CCCCOC(=O)c1ccc(Nc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1 17270592 KSEBKELQHSMWKJ-UHFFFAOYSA-N 421.888 5.169 0 40 HKAB O=C1c2cc3ccccc3nc2N[C@@H](c2c(Cl)cccc2Cl)N1c1ccccc1 20523108 FLOHZXAEEHVWSG-JOCHJYFZSA-N 420.299 6.313 0 40 HKAB Cc1cc(NC(=O)COc2ccc(C3SCCS3)cc2)ccc1Br 22396337 UJDRNDBXYYGOOM-UHFFFAOYSA-N 424.385 5.254 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2coc3ccccc3c2=O)cc1 27583671 LGJHCKDSDYSNCD-UHFFFAOYSA-N 423.424 5.331 0 40 HKAB CCc1ccc(O[C@H](C)C(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1 27793587 MFVWHRNUKFHUJA-CYBMUJFWSA-N 415.287 5.073 0 40 HKAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccccc1Sc1ccccc1 28210391 YKTWBMMSWFLCBN-UHFFFAOYSA-N 403.532 5.917 0 40 HKAB CC(C)(C)N1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)SC1=S 35039340 QXIDUDHWZUSLFU-LDADJPATSA-N 417.983 5.919 0 40 HKAB CCCN(C(=O)c1ccc(Cl)o1)c1cccc(NC(=O)c2ccc(Cl)o2)c1 40150683 BXQINSBSEFYPRF-UHFFFAOYSA-N 407.253 5.489 0 40 HKAB COc1ccc([C@@H](C)NC(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1F 43980880 VEKCKMHLPDLZPA-CYBMUJFWSA-N 413.474 5.031 0 40 HKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(CSc2ccccc2)cc1C 44848501 WRYPPXXMWZJFRJ-XMMPIXPASA-N 419.590 6.700 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(CN2CCCCC2)cc1 44875334 SLEYPZFMTCVCPR-SANMLTNESA-N 416.565 5.300 0 40 HKAB Cc1noc(CSc2ccccc2C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)n1 48354638 UXKAMUJZOHIDQU-HNNXBMFYSA-N 407.539 5.040 0 40 HKAB COc1ccccc1NC(=O)CN[C@H](c1ccc(CC(C)C)cc1)c1cccs1 57323156 CVPKTNWCJYWVAT-XMMPIXPASA-N 408.567 5.273 0 40 HKAB CCc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 57487231 XVDFHSXXVPLEKO-UHFFFAOYSA-N 406.873 5.060 0 40 HKAB Fc1ccc(CSc2nccn3nc(-c4cccc(Cl)c4)cc23)c(Cl)c1 57510816 BGHAEQPVGAOBDE-UHFFFAOYSA-N 404.297 6.135 0 40 HKAB Cc1cc2oc(=O)cc(-c3cc4c(CNCc5ccco5)cnc(C)c4o3)c2cc1C 95474354 RDFDEQHBJYNWFD-UHFFFAOYSA-N 414.461 5.409 0 40 HKAB Cc1ccc(-c2nc3ccc(C)cn3c2C(=O)Nc2ccc(Cl)cc2Cl)cc1 96748968 DWFNJBSDMMSWQR-UHFFFAOYSA-N 410.304 6.177 0 40 HKAB C[C@@H]1C(=O)Nc2ccc(-c3csc(-c4ccc(NC(=O)c5ccco5)cc4)n3)cc21 101090142 ZWTBSLZEHRZFAU-ZDUSSCGKSA-N 415.474 5.378 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 102834148 HMXVEDOBUCVTKW-YYTPORGASA-N 412.965 5.379 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 103717990 BVGHTVIBYMSLEQ-SNVBAGLBSA-N 417.214 5.004 0 40 HKAB CC(C)Oc1ccc(CCCNC(=O)c2ccccc2OCc2ccccc2)cc1 218987058 BTSAWHSTXIVVBT-UHFFFAOYSA-N 403.522 5.415 0 40 HKAB Cc1cc(C)cc(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 224055534 BHXNWIMQMALYIM-HAVVHWLPSA-N 405.925 5.693 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)c1 224319954 RFBTYOSORSHQST-DQEYMECFSA-N 424.573 5.666 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1cccc(C)c1 224388884 BBAJKEXWOYXSQD-UHFFFAOYSA-N 407.535 5.947 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(Cl)cc3F)c2)cc1 224842212 FCGXBRZIXQBZSL-UHFFFAOYSA-N 409.888 6.260 0 40 HKAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1C 224896127 HJYRBYWUHCMCRZ-YADHBBJMSA-N 408.546 5.144 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OCC 225062110 VKTSHULSXFCPDC-UHFFFAOYSA-N 411.885 6.182 0 40 HKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(OC3CCCC3)cc2)c2ccccc2)cc1 225511960 SAUXSHMCJQWYLB-VWLOTQADSA-N 416.590 6.392 0 40 HKAB Cc1cc(NC(=S)NCCCc2ccc(OC(C)C)cc2)ccc1Br 225568730 WSTKQHPVJZWXDM-UHFFFAOYSA-N 421.404 5.464 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c(C)c1 225675293 LFTFNXXDVYETDQ-IBGZPJMESA-N 412.555 5.069 0 40 HKAB CCSc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 225786686 DVRUUWXTMFDBBM-HKWRFOASSA-N 422.575 5.578 0 40 HKAB Cc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2Br)o1 226766099 CXUGFJZRLRTQIR-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB O=C1CS[C@@H](c2ccc(OCc3ccccc3F)cc2)N1c1ccc(Cl)cc1 408555432 FYAMXZYMXANEFD-QFIPXVFZSA-N 413.901 5.837 0 40 HKAB O=C(Nc1cccc(Br)c1)c1cc(Cl)ccc1OCc1ccccc1 408587597 SGIMZTMSCPPHHL-UHFFFAOYSA-N 416.702 5.934 0 40 HKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(Cl)ccc3Cl)ccc21 408594288 OHSMFCZICBXATB-UHFFFAOYSA-N 419.333 5.922 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2cccc(C)c2)cc1 408697434 HLDHBGWISGZJRK-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)c2ccccc21 409115733 KCBUTTUNNWYGRP-IWIPYMOSSA-N 401.481 5.948 0 40 HKAB CCOc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)c(C)c2)cc1 689467 SEGQHCUCIHXOGX-JCMHNJIXSA-N 420.534 5.173 0 40 HKAB Cc1nn(S(=O)(=O)c2ccccc2)c(-c2ccccc2)c1Sc1ccccc1 955210 DMUOPGJXSQCJID-UHFFFAOYSA-N 406.532 5.247 0 40 HKAB CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c1ccc(C)cc1)c1ccccc12 1260282 AQLCMZGDILWPLT-UHFFFAOYSA-N 401.462 5.344 0 40 HKAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)c3cccs3)c(Cl)nc2c1C 1329076 GBLRMYAYZBGCNP-SFHVURJKSA-N 414.958 5.388 0 40 HKAB O=C(Nc1cccc2c(NC(=O)c3ccc(F)cc3)cccc12)c1ccc(F)cc1 1509030 MHGNWLMNCDWDSO-UHFFFAOYSA-N 402.400 5.623 0 40 HKAB COc1c2c(cc3c1[C@H]1Oc4c(ccc(O)c4CC=C(C)C)[C@H]1CO3)OC(C)(C)C=C2 1768130 FUNJPZFUOULIEZ-CJAUYULYSA-N 420.505 5.703 0 40 HKAB biogenic Cc1ccc(-c2nnc(N3CCN(Cc4ccccc4)CC3)c3ccccc23)cc1C 1811730 FMNSMGXJPLUHFD-UHFFFAOYSA-N 408.549 5.236 0 40 HKAB Cc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2c1 2079815 CWKWEOUFJLZPCA-UHFFFAOYSA-N 421.327 7.078 0 40 HKAB CCCCCCc1c(C)c2ccc(OCC(=O)c3ccc(OC)cc3)c(C)c2oc1=O 2126558 LDEKARGRBAYKTM-UHFFFAOYSA-N 422.521 5.803 0 40 HKAB biogenic O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1c(Cl)cc(Cl)cc1Cl 2145528 NDHWCJCDHTWGOE-UHFFFAOYSA-N 408.137 5.356 0 40 HKAB Cc1cccc(CSc2ncnc3c2sc2nc(CC(C)C)c4c(c23)CCC4)c1 2220672 CLHWKBUNPKMUAB-UHFFFAOYSA-N 419.619 6.527 0 40 HKAB CC(C)[C@@H]1Cc2c(sc3nc(SCc4ccc(Cl)cc4)nc(N)c23)CO1 2232123 IVNKTRVZVXXXMR-AWEZNQCLSA-N 405.976 5.317 0 40 HKAB Nn1c(SCc2cccc3ccccc23)nnc1-c1ccc(Cl)cc1Cl 2359017 WYXVWUAOKHYMRL-UHFFFAOYSA-N 401.322 5.411 0 40 HKAB COc1ccccc1[C@@H](Nc1ccc(Br)cc1)c1c(C)[nH]c2ccccc12 2546234 CCKBKUKXINLHPO-HSZRJFAPSA-N 421.338 6.449 0 40 HKAB COc1ccc(C(=O)C[C@H](Sc2ccc(Cl)cc2Cl)c2ccccc2)cc1 2573729 YAMUQMMPALPOJA-QFIPXVFZSA-N 417.357 7.108 0 40 HKAB C[C@@H]1CCCC[C@@H]1n1c(SCC(=O)c2ccccc2F)nnc1-c1cccnc1 2622644 XNGHLBNZTFWSAM-BEFAXECRSA-N 410.518 5.205 0 40 HKAB CCCCCCC(=O)Nc1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1 3162711 SRIJVDOWQKUVHZ-UHFFFAOYSA-N 400.522 6.574 0 40 HKAB C[C@H]1Cc2ccccc2N1C(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3166908 MTVWTDHVGULCEI-KRWDZBQOSA-N 413.908 5.784 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cccc(Oc3ccccc3)c2)sc2c1CCCC2 3234338 XNJVCOWLGGSLII-UHFFFAOYSA-N 421.518 5.848 0 40 HKAB Fc1ccccc1CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1 3415417 ZXAXJYRRVZRQKF-OAQYLSRUSA-N 419.481 5.211 0 40 HKAB CCCCc1ccc(Nc2c3c4c(cccc4n(C)c2=O)C(=O)c2ccccc2-3)cc1 4719026 SUOAQSJJDWLVNW-UHFFFAOYSA-N 408.501 5.836 0 40 HKAB COc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)N(C(=O)CC(C)C)c3ncnn32)cc1 4816798 KKBZBDMBSLFTBU-NHCUHLMSSA-N 424.932 5.054 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)c(F)c2)cc1 5120523 RATZITOKULVYJM-JTHBVZDNSA-N 408.860 5.730 0 40 HKAB COc1ccc(CNCC[C@@]2(c3cccc(C(F)(F)F)c3)CCOC(C)(C)C2)cc1 5244811 WRZOPSWJIOVNQU-HSZRJFAPSA-N 421.503 5.721 0 40 HKAB COc1cccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2cccc(C)c2)c1 5348447 CMXRPPQZDXXIJG-UHFFFAOYSA-N 401.487 5.498 0 40 HKAB CCOc1ccc(/N=c2\scc(-c3ccc(C)cc3)n2Cc2cccnc2)cc1 5516103 ZYRFOALAQAROBW-LCUIJRPUSA-N 401.535 5.599 0 40 HKAB O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@H](c2ccccc2Cl)C1 5683850 QYACACRADAHKQU-QFIPXVFZSA-N 400.865 5.802 0 40 HKAB CC(C)CC(=O)NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 6023135 KYTNSJNCFMWVJV-UHFFFAOYSA-N 403.507 5.507 0 40 HKAB CC(C)c1ccc(NC(=O)COCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 6358975 HEMCBGPHKVJMCQ-UHFFFAOYSA-N 418.493 5.196 0 40 HKAB COc1ccccc1C(=O)Oc1cc(-c2ccc(Cl)cc2)c2oc(=O)sc2c1 6809702 IHMZIVYTUZXOHP-UHFFFAOYSA-N 412.850 5.403 0 40 HKAB CCOc1cc(CNc2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1 6870256 BRYRQGSLIDEYIQ-UHFFFAOYSA-N 417.936 7.083 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)cc1 7080100 KXLRMOWCJOSSAV-SFHVURJKSA-N 414.505 6.334 0 40 HKAB CN(CC(=O)N1CCC(c2nc3ccccc3s2)CC1)[C@@H]1CCCc2ccccc21 7583078 LCXDIGSQFQSOEV-JOCHJYFZSA-N 419.594 5.012 0 40 HKAB CCOc1ccccc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)O 7603236 JTDAYAZYWOGFCW-WJDWOHSUSA-N 402.859 5.007 0 40 HKAB O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCC(Cc2ccccc2)CC1 7654098 VYMIZTVBQATCHE-VWLOTQADSA-N 402.513 5.460 0 40 HKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c(C)c1 8041454 MAKSFZCGGSDMIS-UXHICEINSA-N 416.521 5.200 0 40 HKAB O=C(O)c1cc(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2ccc(Cl)cc12 8717644 XWADMGQCPXRPHK-UHFFFAOYSA-N 418.663 6.820 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(C(C)(C)C)cc3)c3ccccc3)cc2c1 9075809 RCUCAZCZBJPYEZ-UHFFFAOYSA-N 424.544 5.981 0 40 HKAB CCOCCCNc1nc(Nc2cccc(Cl)c2)c2cnn(-c3ccccc3)c2n1 9622634 ICFUTOWSTWDJGA-UHFFFAOYSA-N 422.920 5.051 0 40 HKAB O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccc(Cl)s1 9630765 VEMIRPJXPOMYJG-UHFFFAOYSA-N 412.245 5.091 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1F 9664953 IUNSHVJVUCUFQG-UHFFFAOYSA-N 424.526 5.174 0 40 HKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1oc2ccccc2c1C 9742043 NQPVTYQWQATPJI-UHFFFAOYSA-N 409.873 5.497 0 40 HKAB CC(C)c1ccc(CC(=O)N(Cc2cccnc2)c2nc3ccc(F)cc3s2)cc1 10096967 HWPKUKINCIYJCN-UHFFFAOYSA-N 419.525 5.730 0 40 HKAB Cc1cc2nc(-c3ccc(CNC(=O)/C=C/c4ccc(C(C)C)cc4)cc3)oc2cc1C 10120405 VZLSOQKVGRFUQH-NTEUORMPSA-N 424.544 6.565 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 10314435 DOWLETGGOCCEEY-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1cc(C(C)(C)C)oc1C(=O)N1CCC(C(=O)c2nc3ccccc3s2)CC1 12183928 OVIWVINWRJRQFJ-UHFFFAOYSA-N 410.539 5.230 0 40 HKAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(CSc2ccccc2)o1 12540284 GVFFFLBZLLLRDU-QHCPKHFHSA-N 400.503 5.486 0 40 HKAB O=C(CCSCc1cc(Cl)c2c(c1)OCO2)Nc1ccc(Cl)cc1F 12906654 JSUMAOUSRGZYMW-UHFFFAOYSA-N 402.274 5.123 0 40 HKAB Cn1c(-c2cc(-c3ccc(Br)cc3)nc3ccccc23)nc2ccccc21 13126305 XRRLWCSBWLUOEJ-UHFFFAOYSA-N 414.306 6.218 0 40 HKAB Cc1ccc(Nc2nc(CSc3ccc(Cl)c(C(F)(F)F)c3)cs2)cc1 13134056 VXYUFPJBUMSIAR-UHFFFAOYSA-N 414.905 7.160 0 40 HKAB O=C(COc1c(Cl)cc(C(=O)O)cc1Cl)Nc1ccc(Cl)c(Cl)c1 13422917 ZKIJBIKVEMLBPF-UHFFFAOYSA-N 409.052 5.016 0 40 HKAB C[C@@H](c1ccccc1)N1CCn2c(nc3cc(NC(=O)c4ccc(F)cc4)ccc32)C1 13483460 TZERBKSHEIJEJO-KRWDZBQOSA-N 414.484 5.005 0 40 HKAB Cc1ccc2c(c1)[C@H](Sc1cccc3cccnc13)C[C@@H](C)N2C(=O)c1ccccc1 13940607 VNPKWWHWPUNQTI-KBMIEXCESA-N 424.569 6.816 0 40 HKAB c1ccc(-c2noc(CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)n2)cc1 15223283 AMAPVXLBJBVFGA-UHFFFAOYSA-N 423.501 5.548 0 40 HKAB Cn1c([C@@H]2CCCN(C(=O)c3cc(C4CC4)nc4ccccc34)C2)nc2ccccc21 19714766 MWVGFMDYEZROSA-GOSISDBHSA-N 410.521 5.019 0 40 HKAB CC[C@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 20610919 IVNSTICQXRJYGC-HNNXBMFYSA-N 420.900 5.504 0 40 HKAB Cc1ccc(N2CCN(C(=O)c3csc4cc(C(C)(C)C)ccc34)C[C@H]2C)cc1 26532500 WYPZQVRWJYIAHO-GOSISDBHSA-N 406.595 5.858 0 40 HKAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 30857152 ICKRUSFQQGBJPR-NRFANRHFSA-N 411.860 5.506 0 40 HKAB O=C(Cn1cnc(-c2nc(-c3cccs3)cs2)c1)Nc1ccc(F)c(Cl)c1 49420739 PSKSOHFIGIVPFW-UHFFFAOYSA-N 418.906 5.166 0 40 HKAB Cc1ccc(-c2c(C)sc3nc(CN4CCC[C@H]4c4cccs4)[nH]c(=O)c23)cc1 58160093 JZTNSWLEAWXWDV-KRWDZBQOSA-N 421.591 5.667 0 40 HKAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cccc(Br)c1 59461313 PQYONJFPQMHZLF-UHFFFAOYSA-N 415.268 5.678 0 40 HKAB COc1cc(/C=C/C(=O)OC(C)C)cc(Br)c1OCc1ccccc1F 62715617 DBXOTKFBZUPJOZ-CMDGGOBGSA-N 423.278 5.141 0 40 HKAB Cc1ccc(-n2nc(-c3nc(-c4ccccc4Cl)no3)c3ccccc3c2=O)cc1 64949606 IOZZRRCDIZZXMA-UHFFFAOYSA-N 414.852 5.065 0 40 HKAB CC(C)(C)c1ccc(NC(=O)N2CC(c3nc(-c4cccc(Cl)c4)no3)C2)cc1 70637135 RGZHHIUFWYJIDU-UHFFFAOYSA-N 410.905 5.319 0 40 HKAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCCN(C(=S)Nc1ccccc1)C1CCCCC1)C2 100728824 WXKBIDBDHLMSPC-SWHJIRTISA-N 414.659 6.250 0 40 HKAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(C)cc4C)c(C)s3)C(=O)[C@H]12 102632204 WHIOHBGYSHOOBF-ZULIPRJHSA-N 406.551 5.217 0 40 HKAB O=C(c1ccccc1)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 218986995 GCLVWEISVDJQSH-UHFFFAOYSA-N 407.469 5.749 0 40 HKAB O=C(COc1cccc(Cl)c1)NCCSCc1ccc(Cl)c(Cl)c1 222765174 JOZCBYCNACTWOR-UHFFFAOYSA-N 404.746 5.075 0 40 HKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223095334 YGRJUSSXVRYQEJ-QGZVFWFLSA-N 401.919 5.271 0 40 HKAB CCc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1 223252105 XXNBDYMYXGTJCU-OAHLLOKOSA-N 404.348 5.391 0 40 HKAB COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccc(Cl)cc1 224164316 BCTAWEMYBPDMJB-UHFFFAOYSA-N 401.934 5.770 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc(OC)c(CSc2ccc(C)cc2)c1 224338368 ZGJHVWORKCVYBA-UHFFFAOYSA-N 407.535 5.947 0 40 HKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 224449189 INSCMYCGFHYJNY-VXKWHMMOSA-N 406.530 5.314 0 40 HKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 225124669 ISNSPBSHGKHFRN-YADHBBJMSA-N 422.613 5.383 0 40 HKAB Cc1ccc(NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 225454340 PIUZZPZHKZFKJQ-UHFFFAOYSA-N 402.563 6.332 0 40 HKAB Cc1ccc(-c2nnc(NC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)s2)cc1 225534820 GEZZQZVOKBOKNS-AWEZNQCLSA-N 401.919 5.190 0 40 HKAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 231432705 LZMSFENOCCKTTA-XJUOHMSHSA-N 419.650 5.420 0 40 HKAB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@H]5CCCCO5)CC[C@]4(C)[C@@H]3CC[C@]12C 253500786 JNLBJTOWMWKEJV-ZDNVXUQGSA-N 418.618 5.873 0 40 HKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 254515711 LIIFBMGUDSHTOU-CASAJJRMSA-N 424.713 8.377 0 40 HKAB biogenic Cc1cccc2[nH]c(C(=O)N3CCC[C@H](c4ncc(Cc5cccc(F)c5)o4)C3)cc12 257262515 LLSAPSPKEHBSEV-SFHVURJKSA-N 417.484 5.214 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3ccccc3)cc2)cc1 408672264 NCXDABNFXKKJGN-UHFFFAOYSA-N 422.484 6.292 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3c(C)cc(C)cc3C)nn2-c2ccccc2C)cc1 408727148 UZYGMQVWSGBIBW-UHFFFAOYSA-N 409.533 6.334 0 40 HKAB O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1ccccc1 408838982 LFYCZVTUYSMFMT-MDWZMJQESA-N 418.699 5.662 0 40 HKAB COc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 409109623 IHKJMJBUWGALPI-UHFFFAOYSA-N 420.311 6.641 0 40 HKAB Cc1ccc(C)c(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c1 409110616 FKMAXWHAXKWDAB-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB CCCN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)c2ccccc21 409112981 MWEFBWCQCARHCL-DIBXZPPDSA-N 419.524 6.716 0 40 HKAB Cc1ccc(C)c(NCc2cc(Cl)ccc2OCc2cccc3ccccc23)c1 409115596 KAZAWHCXZPTTMM-UHFFFAOYSA-N 401.937 7.301 0 40 HKAB COc1cccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccc(C(C)C)cc4)C3)n2)c1 1360334 WIALGBORWSPMPS-LJQANCHMSA-N 420.513 5.280 0 40 HKAB Cc1ccc2cc(CN(C(=O)NCc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1C 1378339 RZVOXBDGHMRZFS-UHFFFAOYSA-N 417.553 5.189 0 40 HKAB C/C(Cl)=C\CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 2262901 URIDEVZADGFIPW-XYOKQWHBSA-N 404.004 6.476 0 40 HKAB Nc1c(C(=O)NCc2ccccc2)sc2nc3c(c(-c4ccco4)c12)CCCCC3 2374404 NRAOOWKFHVBUPL-UHFFFAOYSA-N 417.534 5.337 0 40 HKAB O=C(Cc1ccc(Br)cc1)OCC(=O)c1ccc(C2CCCCC2)cc1 2630428 OQBQPCFVOJQASH-UHFFFAOYSA-N 415.327 5.465 0 40 HKAB O=C(Nc1ccccc1-c1ccccc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 2651313 SQWUOYRGZLLILX-UHFFFAOYSA-N 418.452 5.407 0 40 HKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1cc(C)n(C)c1C 2651392 QPOATJNOYVNDSG-UHFFFAOYSA-N 412.489 5.205 0 40 HKAB CCCC[C@@H](CC)CNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2745447 QKEIGPRUPTUPDT-OAHLLOKOSA-N 400.975 6.563 0 40 HKAB CCOC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)c1cccnc1Cl 2763472 PWPFGIWUVZKMKU-UHFFFAOYSA-N 400.887 5.201 0 40 HKAB Cc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)c(C)c1 3012962 GRQRBXXWDDCXSY-NVXWUHKLSA-N 404.392 5.006 0 40 HKAB Clc1ccc(CSc2nc(Cc3ccc(Cl)cc3)nc3ccccc23)cc1 3063755 NBWUZVKYZVCGDR-UHFFFAOYSA-N 411.357 6.820 0 40 HKAB Cc1oc2cc(OCc3ccc(F)cc3)ccc2c(=O)c1-c1c(F)cccc1Cl 3221559 HDAGBOPQJLWBAX-UHFFFAOYSA-N 412.819 6.279 0 40 HKAB Cc1c(O)ccc([C@]23CCCC[C@@H]2C2(CCCCC2)c2ccc(O)c(C)c2O3)c1O 3626371 FVHKEAUPKRWEDW-ATIYNZHBSA-N 408.538 6.100 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 3647646 NEVNWXYRROTYDV-MRXNPFEDSA-N 401.466 5.421 0 40 HKAB COc1cc2c(cc1NC(=O)COc1ccc(Cl)cc1Cl)oc1ccccc12 4289768 LVBIYCXDLJWKMQ-UHFFFAOYSA-N 416.260 5.919 0 40 HKAB Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)C[C@H](c1ccc(F)cc1)C3 4736630 QTYSBJGPAGSUKG-MRXNPFEDSA-N 405.860 5.410 0 40 HKAB Clc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)[C@@H](c3ccccc3)C2)cc1 5008370 HHCMPBDEAREBAQ-OAQYLSRUSA-N 401.724 7.003 0 40 HKAB CCN(CC)CCN(C(=O)c1ccc(Cl)cc1)c1nc2ccc(F)cc2s1 5121851 WOWAMVWHVSZYFC-UHFFFAOYSA-N 405.926 5.077 0 40 HKAB Cc1cccc(-c2c(NC(=O)c3ccc(Cl)cc3)n(C)c3ccccc3c2=O)c1 5271557 XDJKZPMPKWIKAK-UHFFFAOYSA-N 402.881 5.420 0 40 HKAB O[C@]1(C(F)(F)F)[C@H]2CCCCCC2=NN1c1nc(-c2ccc(Cl)cc2)cs1 5275056 PMFZIXADCAPVCH-GUYCJALGSA-N 415.868 5.471 0 40 HKAB COc1ccccc1C(=O)Nc1sc2ccccc2c(=O)c1-c1cccc(C)c1 5345295 DLUVUIRGBSBKDE-UHFFFAOYSA-N 401.487 5.498 0 40 HKAB Clc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 5899031 VAADYFCRKVXSSD-UHFFFAOYSA-N 413.333 5.928 0 40 HKAB NC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)sc2c1CCCCC2 6329470 MEQOCJKELUMQGC-VQHVLOKHSA-N 409.338 5.075 0 40 HKAB CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 6740922 VIELWYIXEODCTJ-HGZUBDBJSA-N 405.626 6.748 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1 7080070 AQABTKAAZHPUOH-SFHVURJKSA-N 414.505 6.334 0 40 HKAB COCc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 7542204 PDUBKADMJKLJQE-NRFANRHFSA-N 418.924 5.530 0 40 HKAB O=C(OCc1cc(Cl)c2c(c1)OCCCO2)C(c1ccccc1)c1ccccc1 7718839 KHIWDIMSZRRXDZ-UHFFFAOYSA-N 408.881 5.377 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cc(C)ccc4C)C3)cc2)c1 7882263 DRURDONIJCAZMM-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB S=C(c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)N1CCCC1 8377084 NOGQAPJHFNTHNQ-UHFFFAOYSA-N 400.758 5.997 0 40 HKAB Clc1ccc(SCc2cc(Sc3ccccc3)nc(-c3ccncc3)n2)cc1 8733582 MOANVOFQNYUIJD-UHFFFAOYSA-N 421.978 6.636 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)cc1 9275178 QQCUHYKGZKSWHW-UHFFFAOYSA-N 400.276 5.049 0 40 HKAB Cc1ccc(-c2nnc(SCC(=O)c3ccccc3)n2-c2ccc(Cl)cc2)cc1 9308328 SPQWEZHKGKVPLS-UHFFFAOYSA-N 419.937 5.871 0 40 HKAB Cc1ccccc1-n1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cccnc1 9666231 XETIBIBZEXKNQY-UHFFFAOYSA-N 420.925 5.266 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3Cl)c2C)cc1 10315125 UTLGIHYLJSZZFD-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCc1ccc(-c2n[nH]c(SCC(=O)N(Cc3ccco3)C3=CCCCC3)n2)cc1 12567224 BHQHJEDWOFDQTN-UHFFFAOYSA-N 422.554 5.206 0 40 HKAB C[C@H](NC(=O)CSc1nc(-c2cccs2)n[nH]1)c1ccc(-c2ccccc2)cc1 12621844 RZKJRUODHHVINP-HNNXBMFYSA-N 420.563 5.170 0 40 HKAB CCN(c1ccc(NC(=O)C2C[C@@H]3CC[C@H](C2)C32SCCS2)cc1)C(C)C 12738182 ZFHZUQOAZZTNMD-AYHJJNSGSA-N 404.645 5.472 0 40 HKAB O=C(c1ccc(Br)cc1F)N1CCC[C@@H](c2nc3ccccc3s2)C1 12981471 ZJUXEDMQRLYUEH-GFCCVEGCSA-N 419.319 5.218 0 40 HKAB C/C=C/c1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc(OC)c1OC 12998731 SOWDOAOFVVYOFJ-IOMDMTNGSA-N 422.550 5.366 0 40 HKAB Nc1c(C(=O)c2ccccc2)sc2nc3c(c(-c4ccccc4Cl)c12)CCCC3 13281919 MVDJCSGIHNFXTD-UHFFFAOYSA-N 418.949 6.309 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)c1C 14405402 YBCSYMWOTIBGQC-UHFFFAOYSA-N 424.932 5.458 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 17089772 LLFHXRQJAVFJBX-NRMKIYEFSA-N 414.332 7.419 0 40 HKAB Cc1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cccc1-c1nc2ccccc2o1 17091364 WBMMGOQASVDXKU-UHFFFAOYSA-N 418.321 5.751 0 40 HKAB CCN(CC)CCOc1cccc(CN[C@@H](C)CCC2=C(C)CCCC2(C)C)c1 17148010 DWHJPYUMVRNVAT-QFIPXVFZSA-N 400.651 6.192 0 40 HKAB CC[C@@H](C)n1nc(NC(=O)COc2ccc(C)cc2)c2cc3cc(C)ccc3nc21 21596602 XVLUFLBBXIRDNW-QGZVFWFLSA-N 402.498 5.190 0 40 HKAB O=C(C[C@@H]1Sc2ccccc2NC1=O)OCc1sc2ccccc2c1Cl 21976072 MSVPLNJCXDBLHA-HNNXBMFYSA-N 403.912 5.101 0 40 HKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(-c2ccc(F)cc2)s1 25276253 WUZCJJJSCKPYTB-UHFFFAOYSA-N 411.458 5.250 0 40 HKAB CC(C)CC(=O)Nc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 26319688 BMMTYGJAYGCTDD-UHFFFAOYSA-N 410.445 5.235 0 40 HKAB CCCOc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCCC1 27664517 BGBXYDOHWOYWEW-NRFANRHFSA-N 400.950 5.086 0 40 HKAB O=C(Nc1cccc(F)c1)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078785 CQSJDFXKPGEASZ-UHFFFAOYSA-N 408.860 5.324 0 40 HKAB OC1(c2ccc3c(c2)c2c4n3CCN(Cc3ccccc3)[C@H]4CCC2)CCCCCC1 57447967 PELAFBAAKHBAGN-SANMLTNESA-N 414.593 6.076 0 40 HKAB O=C(NC1CCSCC1)c1ccc(CSc2nc3ccccc3s2)cc1 58419833 HBLUSEVUJOCQAV-UHFFFAOYSA-N 400.594 5.214 0 40 HKAB CCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C(C)C)cc3)sc2c1 59459202 QSCZEBKVQKRWOZ-UHFFFAOYSA-N 413.568 5.499 0 40 HKAB COc1ccc(C[C@@H](C(=O)Nc2ccc(OC)cc2)c2nc3ccccc3s2)cc1 67240472 GGJYKNDBCZADDJ-FQEVSTJZSA-N 418.518 5.279 0 40 HKAB CCOC(=O)C1=C(C)Nc2c(-c3ccc(Cl)cc3)cnn2[C@H]1c1ccc(F)cc1 71405468 JPILKMZHAZNOPN-FQEVSTJZSA-N 411.864 5.195 0 40 HKAB O=C(Nc1nc(-c2cccc(Cl)c2)ns1)c1cc(-c2ccccc2Cl)on1 84514455 CALFKOYYIMHLAZ-UHFFFAOYSA-N 417.277 5.419 0 40 HKAB CCc1ccc(-c2csc(-c3ccc(N4C(=O)c5ccccc5C4=O)cc3)n2)cc1 94992620 LWZTTXZDJZQTOS-UHFFFAOYSA-N 410.498 5.840 0 40 HKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 95933387 FNKOKHZCQSJJOQ-NNZXDZRQSA-N 424.713 8.089 0 40 HKAB O=C(O)CC/C(=C/c1cc(Br)ccc1F)c1nc2ccccc2s1 96767654 CSTZWLUSAHDCTO-LUAWRHEFSA-N 406.276 5.603 0 40 HKAB COc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1OC 101218847 AAKYOPXWNBSLNR-CTNGQTDRSA-N 403.457 5.339 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCSc1ccc(Cl)cc1 222695379 JFQBUWMFQNWDBB-LJQANCHMSA-N 403.975 5.939 0 40 HKAB Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1Cl 222851292 UHEKLYKOWCKPOY-NHCUHLMSSA-N 411.958 5.684 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccc(C(C)(C)C)cc1 224519706 PNTBNZWTCMIOBD-UHFFFAOYSA-N 417.549 6.523 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1cc(C)cc(C)c1 224531280 GPIYUYHPXDKAPJ-UHFFFAOYSA-N 403.522 6.096 0 40 HKAB Cn1c(=O)sc2cc(NC(=O)c3ccccc3SCc3ccccc3)ccc21 225041156 WNKVKXFDWHLFSX-UHFFFAOYSA-N 406.532 5.145 0 40 HKAB O=C(O)[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1cccc2ccccc12 225134505 KEHQXQPKDJPKTK-XMMPIXPASA-N 418.876 6.360 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)NCCSCc2ccccc2Cl)c1 225296921 NOIXSKNQAGFUAJ-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccccc2F)CCCCC1 225544491 CNOUHDCDNIXPJZ-UHFFFAOYSA-N 403.497 6.245 0 40 HKAB O=C(COc1ccc(CNc2ccc(F)c(Cl)c2)cc1)Nc1ccc(Cl)cc1 408604767 FBPMEIORZTXAGF-UHFFFAOYSA-N 419.283 5.762 0 40 HKAB O=C(O)c1cccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 408614166 ZGJGIOOBPNKGFL-UHFFFAOYSA-N 402.277 5.883 0 40 HKAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)c1 408643253 QVQSPHMARAKDDU-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB COc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 408952192 LCIRPWUFBWLWCX-STZFKDTASA-N 404.491 5.031 0 40 HKAB O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1cccc2ccccc12 409053386 CFWXBDNNMXZHQY-UHFFFAOYSA-N 412.539 6.944 0 40 HKAB Cc1ccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)c(C)c1 409113044 NGSFOHWXOSKPPJ-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1C 409378649 QXCODDHTABWPLO-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB Cc1ccc(C2=C[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)NC(=S)N2)cc1 642449 DTGVSGFSADPBJK-DEOSSOPVSA-N 422.557 5.408 0 40 HKAB CCOC(=O)c1ccccc1NC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 1324259 QSAWWUKWTNGOBC-UHFFFAOYSA-N 422.481 5.319 0 40 HKAB CCOc1ccc2nc(Cl)c(CN(C(=O)C3CC3)C3CCC(C)CC3)cc2c1 1339498 XACBNGRTVCRIGM-UHFFFAOYSA-N 400.950 5.604 0 40 HKAB Cc1cccc(C(=O)N(CCc2ccccc2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c1 1366589 JGCWLUKFLUUAHK-UHFFFAOYSA-N 424.544 5.338 0 40 HKAB FC(F)(F)c1cc(-c2ccc3ccccc3c2)nn1C(=S)N1CCCCCC1 1409536 ZEMDIYLAQMCDEW-UHFFFAOYSA-N 403.473 5.731 0 40 HKAB CCOC(=O)c1c(NC(=O)c2csc3c2CC[C@@H](C)C3)sc2c1CCCC2 1454215 GPAUXIZQAITYKU-GFCCVEGCSA-N 403.569 5.242 0 40 HKAB COc1ccc([C@H](OC(=O)C(c2ccccc2)c2ccccc2)[C@H](C)N(C)C)cc1 1758878 DZUUHEOUVSUUCX-UQBPGWFLSA-N 403.522 5.062 0 40 HKAB Cc1cccc(Oc2coc3cc(O[C@@H](C)C(=O)OC4CCCCC4)ccc3c2=O)c1 1769999 PZHCDJCTEUKTKI-KRWDZBQOSA-N 422.477 5.537 0 40 HKAB biogenic Cc1cc2c(cc1C)CSC(c1ccccc1OC(=O)c1ccccc1F)SC2 2060396 AVDIIYNRJRRQDX-UHFFFAOYSA-N 424.562 6.841 0 40 HKAB Cc1ccc(C)c(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)c1 2116642 XXMMCFZHJISWDO-UHFFFAOYSA-N 411.501 5.666 0 40 HKAB biogenic FC(F)(F)c1ccc(-c2nnc3sc(-c4ccc(-c5ccccc5)cc4)nn23)cc1 2182970 JESFQAKXIFMZBH-UHFFFAOYSA-N 422.435 6.206 0 40 HKAB Fc1cccc(F)c1CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1 2263519 LPDSKBBQZYUDBF-UHFFFAOYSA-N 414.868 5.553 0 40 HKAB Clc1ccc(-c2nc(Nc3ccccc3Cl)c3ccccc3n2)c(Cl)c1 2268204 CJOMMHWTZVYCAN-UHFFFAOYSA-N 400.696 7.001 0 40 HKAB Cc1ccc2c(c1)[C@](C)(c1ccccc1)CC(C)(C)N2C(=O)c1cccc(Cl)c1 2270263 AUNFMYLYZRLDPZ-SANMLTNESA-N 403.953 6.784 0 40 HKAB CC(C)=CCC/C(C)=C/COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 2440523 FITWQBRIABOSIH-LDADJPATSA-N 408.925 7.185 0 40 HKAB O=C(CSc1nnc(-c2cc(Cl)nc(Cl)c2)o1)c1ccc(Cl)cc1 2576689 HWDDVCBHUJBVCN-UHFFFAOYSA-N 400.674 5.067 0 40 HKAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccccc1C(F)(F)F 3008123 GTDOFPCFABWDMJ-UHFFFAOYSA-N 407.392 5.029 0 40 HKAB FC(F)(F)c1ccc2c(c1)nc(-c1ccc(Oc3ccccc3)cc1)c1nccn12 3235933 QYLHJVAMTKOPIG-UHFFFAOYSA-N 405.379 6.361 0 40 HKAB O=C(Nc1nnc(C2CC2)s1)c1oc2ccccc2c1CSCc1ccccc1 3297671 LEOVYEQTIGZXPB-UHFFFAOYSA-N 421.547 5.847 0 40 HKAB O=C(OCCOc1ccc(Br)cc1)c1cccc(-c2ccc(O)cc2)c1 3299051 NIIVHMXEOXMXCJ-UHFFFAOYSA-N 413.267 5.058 0 40 HKAB CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)c(OCCC)c1 3312138 DOXVZTAWGQLRNO-XDJHFCHBSA-N 415.493 5.358 0 40 HKAB CCCCc1ccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1 3328734 WXLLSDZBPNMRDK-UHFFFAOYSA-N 414.936 7.150 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1 3655412 KWMRDNZNYZACNK-UHFFFAOYSA-N 403.409 5.454 0 40 HKAB Cc1oc2cc3oc(=O)c(CCC(=O)NC(C)C)c(C)c3cc2c1-c1ccccc1 4089245 QODBFJOMEKGVSV-UHFFFAOYSA-N 403.478 5.280 0 40 HKAB biogenic Cc1[nH]c2ccccc2c1C(c1cccc(O)c1Cl)c1c(C)[nH]c2ccccc12 4144814 NWDJITXENNWMMP-UHFFFAOYSA-N 400.909 6.805 0 40 HKAB Nc1nc(Nc2cccc(C(F)(F)F)c2)sc1C(=O)C12CC3CC(CC(C3)C1)C2 4175491 HHEKIAWTLJKCOX-UHFFFAOYSA-N 421.488 5.887 0 40 HKAB COc1ccc2nc(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)[nH]c2c1 4252409 XCKUJASYSFGPAT-OAHLLOKOSA-N 403.507 5.358 0 40 HKAB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4)cc2)N3)C1 4544842 QWDNZSQKWHXJBU-NYHFZMIOSA-N 404.535 5.306 0 40 HKAB Cc1c(Cl)ccc2c(C(=O)OCC(=O)c3ccccc3)cc(-c3ccccc3)nc12 4553495 YPRPDMVNNXGNCR-UHFFFAOYSA-N 415.876 5.903 0 40 HKAB Cc1cccc(C)c1Nc1c(-c2cc(Br)ccc2O)nc2cnccn12 4733442 ATLFWSYDJHNNLC-UHFFFAOYSA-N 409.287 5.225 0 40 HKAB CCc1cc2cc(OC)c(OC)cc2nc1SCC(=O)c1ccc(Cl)cc1 4857749 RUIUXRSPPCSQSY-UHFFFAOYSA-N 401.915 5.443 0 40 HKAB CCOC(=O)c1sc(N2N=C3CCCC[C@@H]3[C@@H]2c2ccc(OCC)cc2)nc1C 4931400 VCVCOYQFEAHTTM-HKUYNNGSSA-N 413.543 5.134 0 40 HKAB O[C@@](C1CCCCC1)(C1CCC2(CCCCC2)CC1)[C@H]1CCC[C@H]2CCCC[C@H]12 5086217 JABAJANPPUTYNB-NGXSIQFZSA-N 400.691 8.045 0 40 HKAB CCN(CC)CCN(C(=O)c1ccc(C(C)=O)cc1)c1nc2cc(C)cc(C)c2s1 5122159 HGRUFHBSRGCCQD-UHFFFAOYSA-N 423.582 5.104 0 40 HKAB COc1ccc(NC(=O)CSc2nc(C)nc3c2oc2ccccc23)cc1Cl 5156869 BMINPGOUBLALCD-UHFFFAOYSA-N 413.886 5.077 0 40 HKAB CCOc1ccc(C(C)=O)cc1COC(=O)c1ncc(Cl)c(Cl)c1Cl 5359021 KKQFPGRINOPBIB-UHFFFAOYSA-N 402.661 5.000 0 40 HKAB CC[C@@H](CCNC(=O)Nc1cccc(Cl)c1)NC(=O)Nc1cccc(Cl)c1 6554923 KCLVQGQYMNUSLP-HNNXBMFYSA-N 409.317 5.105 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)CSCc2nc(-c3ccc(Cl)cc3)no2)cc1 6585958 NUCBAQBPSSRVDF-CQSZACIVSA-N 415.946 5.775 0 40 HKAB COc1ccc(Br)cc1[C@@H]1Nc2c(C)ccc(C(=O)O)c2[C@H]2C=CC[C@H]21 6965789 SMGIXUZTDDKXHN-LRDNONRASA-N 414.299 5.291 0 40 HKAB Cc1ccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccc(C)c(Cl)c2)cc1 8476996 SUZIOBBUDNFNMA-UHFFFAOYSA-N 408.933 5.267 0 40 HKAB O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(Cc2ccccc2)o1)c1ccccc1 9603656 YRHRGPQGSUZZHQ-OAQYLSRUSA-N 419.481 5.272 0 40 HKAB Cn1cc([C@@H]2c3ccccc3C(=O)N2CCc2ccc(Cl)cc2)c2ccccc21 9668882 GRMMBZQLPTVPDP-DEOSSOPVSA-N 400.909 5.620 0 40 HKAB COc1ccc(NC(=O)[C@@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)cc1Cl 10225105 ALMDPPGLURKODS-OAHLLOKOSA-N 411.933 5.037 0 40 HKAB C[C@@H](Sc1nnc(COc2ccccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1 12676289 QNRKECFOLQNPCL-LLVKDONJSA-N 424.309 5.075 0 40 HKAB CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1ccc(C(F)(F)F)cc1 12767933 MFJNZRMBQKCELX-UHFFFAOYSA-N 409.458 5.507 0 40 HKAB O=C(Nc1ccc2oc3ccccc3c2c1)[C@@H]1CCCN(C(=O)c2cccs2)C1 12913317 DCLPGTJLBOEMSG-OAHLLOKOSA-N 404.491 5.138 0 40 HKAB O=C(Nc1cccc2ncccc12)c1cc(Br)c(Br)s1 13007249 SXWUDOJIVSESDL-UHFFFAOYSA-N 412.106 5.074 0 40 HKAB Cc1ccc(CSc2ncnc3c2sc2nc(C(C)C)c4c(c23)CCCC4)cc1 13281917 ZSWLPXHGSSPWCJ-UHFFFAOYSA-N 419.619 6.842 0 40 HKAB O=C(NCCc1nc2ccccc2n1CCCCOc1ccccc1)C1CCCCC1 13828243 ASBFYSZRZOQALP-UHFFFAOYSA-N 419.569 5.135 0 40 HKAB O=C1N[C@H](c2ccc(-c3cc(Cl)cc(Cl)c3)o2)Nc2sc3c(c21)CCCC3 16184311 CKHXPILHGAGHNI-SFHVURJKSA-N 419.333 6.048 0 40 HKAB O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3)CC[C@@H]21 19372281 AQYCXOXLYKMKQM-HJOGWXRNSA-N 420.553 5.018 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCSCc1ccccc1Cl 20110473 FQTPLERDVGRLOP-OAQYLSRUSA-N 413.970 5.700 0 40 HKAB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3n2)cc1 20610185 YWTNVXCMZUHURE-UHFFFAOYSA-N 414.509 5.270 0 40 HKAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccccc1SCc1ccco1 24831652 QNYQRWSMCXTXFQ-UHFFFAOYSA-N 416.527 6.587 0 40 HKAB Cc1nc(NC(=O)C2(c3cccc(Cl)c3)CC2)sc1-c1nccn1C(F)F 24832069 NZPFPEMBCXBMNC-UHFFFAOYSA-N 408.861 5.034 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCc1ccccc1 33618226 IIYDFIZPJOCHPX-UHFFFAOYSA-N 415.411 5.935 0 40 HKAB CCn1nc(C)c2c(C(=O)N[C@H](C)CCc3ccco3)cc(-c3ccc(C)cc3)nc21 36613470 RZLZTXPXYQCZGF-QGZVFWFLSA-N 416.525 5.079 0 40 HKAB COc1ccc(Cc2nnc(SCc3sc4ccccc4c3Cl)o2)cc1 36625876 ZGSGAQNMRHHJRG-UHFFFAOYSA-N 402.928 5.829 0 40 HKAB O=c1cc(-c2ccc(F)cc2)nc2n(Cc3cccc(Cl)c3)c3ccccc3n12 40484793 YFFOFDABRCBIHI-UHFFFAOYSA-N 403.844 5.157 0 40 HKAB CN1C[C@H](C(=O)c2ccccc2)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 52530368 GUAHHIHOYRGRSC-VABKMULXSA-N 403.909 5.325 0 40 HKAB Cc1ccc2c(c1)c1c3n2CCN(CC(=O)c2ccc(Br)cc2)[C@H]3CCC1 57840358 WIPIKMWZAOSLES-NRFANRHFSA-N 423.354 5.288 0 40 HKAB Cc1nc(S(=O)(=O)[C@H](C)c2ccc(OC(F)F)cc2)n(C2CCCCC2)c1C 58002868 DCVLAMDBBWJXNJ-OAHLLOKOSA-N 412.502 5.141 0 40 HKAB C[C@H](Nc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1Cl)c1ccccc1 58423371 GXDORVVABDVQOI-HNNXBMFYSA-N 418.880 5.872 0 40 HKAB CC(C)(C)c1ccc(CNC(=O)[C@H](c2ccccc2)c2cc(Cl)ccc2O)cc1 59483640 CSBSJUFKPUHYJF-HSZRJFAPSA-N 407.941 5.791 0 40 HKAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(Cc1ccc(Cl)c(Cl)c1)C3 61997674 KDLKMAHOATWMAQ-UHFFFAOYSA-N 404.293 5.377 0 40 HKAB biogenic Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)cc2Cl)n1 67296781 WACCAZZDIVDZIS-ROMGYVFFSA-N 407.832 5.413 0 40 HKAB CCOc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(OC)cc2)cc1 67297592 PXZIDNUEKFQIGJ-RFBIWTDZSA-N 414.461 5.325 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)c(C)c2)cc1 67297738 LKROGYOXYRKKEX-PNHLSOANSA-N 402.425 5.374 0 40 HKAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(F)cc2Cl)n1 67297939 HTFBMOHCOMMVPZ-ROMGYVFFSA-N 423.831 5.119 0 40 HKAB O=C(Nc1nnc(SCc2ccccc2Cl)s1)c1nc2ccccc2s1 70635067 BMYXLYTWVPYVTI-UHFFFAOYSA-N 418.956 5.346 0 40 HKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 72215096 QJCVYZGPSKUYCK-UGKGYDQZSA-N 409.574 5.959 0 40 HKAB CCOc1cc(C(=O)Nc2ccc(N3CCCC3)cn2)cc(-c2ccccc2)c1OC 72277352 JAKFQERNWSBBRS-UHFFFAOYSA-N 417.509 5.008 0 40 HKAB Cc1ccc(CCC(=O)O[C@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)o1 72310745 BIQYTHQYMCVUOU-HXUWFJFHSA-N 406.404 5.170 0 40 HKAB Cc1cccc(Nc2cccc([C@@H]3CCCN3Cc3c(C)nc4c(C)cccn34)n2)n1 72375786 OLVCIHXRVOKHSX-NRFANRHFSA-N 412.541 5.130 0 40 HKAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cc(NC(=O)OC(C)(C)C)ccc3C)cc2)n1 89646792 CYAGOFBFZJJUKF-UHFFFAOYSA-N 420.513 5.397 0 40 HKAB Cc1ccc(CNC(=O)c2ccc3onc(-c4coc(-c5ccc(F)cc5)n4)c3c2)o1 96154335 FSPBHSPLBRDPST-UHFFFAOYSA-N 417.396 5.120 0 40 HKAB COc1ccc([C@@H]2C=C(Nc3cc(C)cc(C)c3)C(=O)N2c2cc(C)cc(C)c2)cc1 103753548 LDKRXALVWIALBT-SANMLTNESA-N 412.533 6.013 0 40 HKAB Cc1ccc(COc2ccc3ccccc3c2CNc2ccc(F)c(Cl)c2)cc1 106974144 ZGGDULWKVBNFEN-UHFFFAOYSA-N 405.900 7.132 0 40 HKAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(F)c(Br)c3)C2=O)c1 214582487 IWBFHDYNYZGIFP-CXUHLZMHSA-N 406.276 5.133 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSc1ccc(Cl)cc1 216276772 DVTWVNCHWWJGGI-QGZVFWFLSA-N 400.396 5.773 0 40 HKAB CC[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc2c(c1)CCCC2 223022252 UCNYCXWJIGEZGT-NRFANRHFSA-N 422.421 6.373 0 40 HKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCC(C)C)c1ccccc1 223416166 FPOCOFZJRBJIJX-QHCPKHFHSA-N 414.977 5.372 0 40 HKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 223599926 QKVWRWPIRFVURK-RUZDIDTESA-N 422.613 5.466 0 40 HKAB COc1ccc(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)cc1Cl 225267519 FDRCJDIUMQRJPV-UHFFFAOYSA-N 412.276 5.798 0 40 HKAB CCOc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C 225557503 ZWMYLGIVQXPALL-UHFFFAOYSA-N 420.380 6.850 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1OCC(C)C 225675707 CMGYCOLHZPRVKV-UHFFFAOYSA-N 409.526 5.349 0 40 HKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NCc1ccc(Cl)cc1 225830904 NZWZIUMQRJCNDM-UHFFFAOYSA-N 417.896 5.306 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCC)c(C(=O)OC)c1 225847837 QBCSNTGFRJMTPW-QHCPKHFHSA-N 407.551 5.356 0 40 HKAB O=C1CCCN1c1cccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c1 225870464 ZVVUNRTYAKVTMD-UHFFFAOYSA-N 413.974 5.223 0 40 HKAB COC1(C(=O)Nc2ccc(OCCCN3CCCC[C@H]3C)cc2)CCCCCC1 260814653 MAUBXGBFAZVBJD-HXUWFJFHSA-N 402.579 5.008 0 40 HKAB Clc1cccc(Cn2cc(CNc3ccc(Cl)cc3Cl)c3ccccc32)c1 408610619 QRUGPYFJNXBBID-UHFFFAOYSA-N 415.751 7.262 0 40 HKAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cccc(Cl)c2Cl)CC1=O 408640295 IPWIUEYXWFLTMJ-OAHLLOKOSA-N 405.325 5.110 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(C)cc(C)cc2C)cc1 408675135 GSLIACXHQNWCHH-UHFFFAOYSA-N 412.489 5.362 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(Cl)c3)n2)c1 408697618 IQMKAYUYLNVYRG-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O 409011294 FYPGFNWTJYFXSS-HAFIMRKLSA-N 417.530 6.254 0 40 HKAB O=C1S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1CCOc1ccc(F)cc1 409052342 RZMGKWJAPWOJPY-SXGWCWSVSA-N 412.269 5.248 0 40 HKAB CC(C)CN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)cc2)c2ccccc21 409117911 PMFGUTNVJPFVSZ-IWIPYMOSSA-N 401.481 5.948 0 40 HKAB CCCCN1C(=O)S/C(=C\c2cn(Cc3ccccc3)c3c(CC)cccc23)C1=O 409136989 ZIPPOPHCGJAPCB-JCMHNJIXSA-N 418.562 6.088 0 40 HKAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(Cl)cc3)[C@](O)(C(F)(F)F)[C@H]2C1 409361068 PXIHXRKWXNJXEQ-FRIZHTMISA-N 416.871 5.255 0 40 HKAB C[C@@]12C(=O)N(c3cccc4ccccc34)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 727018 MDZKOQLKYCEYQD-JWVISUDPSA-N 415.492 5.627 0 40 HKAB O=C1CN=C(c2ccc(Cl)cc2)c2c(sc3c2CCCC3)N1Cc1ccncc1 930412 IYWDGUDGALGISY-UHFFFAOYSA-N 421.953 5.060 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(Cl)cc1Cl 1268375 IVUIFFDSQOKGIF-UHFFFAOYSA-N 403.231 5.865 0 40 HKAB CC(C)Sc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC[C@H]4C 1297101 CIRNTHMRRLHFOY-CYBMUJFWSA-N 410.568 5.035 0 40 HKAB Clc1cccc(-n2cc(-c3ccccc3)c3c(NC[C@H]4CCCO4)ncnc32)c1 1447715 WBNQAKZOYCMZDE-LJQANCHMSA-N 404.901 5.332 0 40 HKAB COc1ccc(-c2nnc3c4cc(F)ccc4n(Cc4cccc(OC)c4)cc2-3)cc1 2689806 HHQLJJKMFAYQRM-UHFFFAOYSA-N 413.452 5.408 0 40 HKAB O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1CCc1ccccc1 2970150 HLUOCXNGIFFXMO-UHFFFAOYSA-N 406.938 5.585 0 40 HKAB Clc1ccc(-n2cc(-c3ccccc3)c3c(NC4CCCCC4)ncnc32)cc1 2974917 QWPAZXSYASEWDM-UHFFFAOYSA-N 402.929 6.486 0 40 HKAB O=C(C[C@H](c1ccccc1)[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1 3107152 DCHYDZKWRVSCIG-IAPPQJPRSA-N 404.509 6.710 0 40 HKAB C[C@@H](Cc1ccccc1)n1c(-c2ccccc2)nc2sc3c(c2c1=O)CCCC3 3154338 SXAULMGPHGRASJ-KRWDZBQOSA-N 400.547 5.808 0 40 HKAB CCCCCCOc1ccc(/C=C2/N=C(c3ccc(OCC)cc3)OC2=O)cc1OC 3320997 YNOBNSGZJFDXBD-LTGZKZEYSA-N 423.509 5.398 0 40 HKAB Cc1cc2occ(CC(=O)NCCc3ccc(Cl)cc3Cl)c2cc1C(C)C 3330929 IKEGAGGXMZXCAQ-UHFFFAOYSA-N 404.337 6.073 0 40 HKAB C[C@@H]1CCc2c(sc3ncnc(Oc4ccc(NC(=O)c5ccco5)cc4)c23)C1 3450000 SITFMHUXAIDYGA-CYBMUJFWSA-N 405.479 5.454 0 40 HKAB O=C(CCCc1ccccc1)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 4267449 YEWKRZGRYJMTQY-UHFFFAOYSA-N 416.452 5.786 0 40 HKAB CC(C)COc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 4599540 KEPAQFXQOAKUFI-CQSZACIVSA-N 421.324 5.020 0 40 HKAB O=C(Nc1ccccc1)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccccc1Cl 4665066 CJDOZMFPACQMPV-OFNKIYASSA-N 401.897 5.896 0 40 HKAB CCOc1ccc2nc(Cl)c(CN(C(=O)C3CCC3)C3CCC(C)CC3)cc2c1 4969481 LZIAKOUATQFAMY-UHFFFAOYSA-N 414.977 5.994 0 40 HKAB CCOc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(C)cc23)cc1 4970353 WXWKLDYUSVVKKI-UHFFFAOYSA-N 413.908 6.601 0 40 HKAB COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(F)c2)c1 5164537 ZULZDMOXEVFFSM-FYYLOGMGSA-N 408.860 5.730 0 40 HKAB CCOc1ccc(-c2nnc(SCc3csc(-c4ccc(C)cc4)n3)o2)cc1 5170116 MEYDFKRPOTWCOO-UHFFFAOYSA-N 409.536 5.860 0 40 HKAB O=C1C[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)c2cccc3cccc1c23 5783279 XPNKVJNHYNUJTN-XMMPIXPASA-N 400.481 6.411 0 40 HKAB C[C@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 6077153 FCGCLNRWCPLDFY-MPVQEXEOSA-N 407.529 5.739 0 40 HKAB COc1cc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c(OC)cc1Cl 6126729 VVCIKGBXGHCTQX-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB Cc1ccc(-n2c(SCC(=O)c3cc(C)c(C)cc3C)nc3ccccc32)cc1 6315204 KAWJRVZZYNLPJL-UHFFFAOYSA-N 400.547 6.234 0 40 HKAB Cc1nc(NCC(=O)Nc2c(C)cccc2C)c2c(-c3cccs3)csc2n1 6651466 YVDSDIFAOUUCMX-UHFFFAOYSA-N 408.552 5.396 0 40 HKAB CCn1c(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)nc2ccccc21 7153955 UKZFEOUTZUHBDC-NRFANRHFSA-N 407.564 5.116 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2)c2cccnc2)c1C 7277693 OGBQNZPHHCHDQT-QHCPKHFHSA-N 413.546 6.214 0 40 HKAB COc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2cccc(OC)c2)cc1 9309126 RGTHVUDQWXDKFL-UHFFFAOYSA-N 421.497 5.383 0 40 HKAB Cn1c(NC(=O)c2ccc(F)cc2)c(-c2cccc3ccccc23)c(=O)c2ccccc21 9327897 TUYBLFXRYZNIMA-UHFFFAOYSA-N 422.459 5.750 0 40 HKAB Clc1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2ccncc2)cc1Cl 9670891 NREVBUBFLWFAHF-HNNXBMFYSA-N 421.353 5.297 0 40 HKAB C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 12550497 QEZKYQPUTRKAFB-LBPRGKRZSA-N 420.412 5.013 0 40 HKAB C[C@@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)c1ccc(-n2ccnc2)cc1 13057465 PBLZGHCBTIQEGV-LJQANCHMSA-N 405.542 5.206 0 40 HKAB COc1ccc2[nH]c(=O)c(CNc3ccc(-c4nc5ccc(C)cc5[nH]4)cc3)cc2c1 13561302 AGJMRIKEGCYFHS-UHFFFAOYSA-N 410.477 5.001 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)NCCSCc1ccccc1Cl 13716974 BNQXJNPEIPRWAT-UHFFFAOYSA-N 409.982 5.912 0 40 HKAB O=C(Nc1ccccc1OC(F)F)c1nc(Cl)c(Cl)c(Cl)c1Cl 15993804 MINOVKZEXDKEQC-UHFFFAOYSA-N 402.011 5.549 0 40 HKAB O=C(c1ccc(C2SCCS2)cc1)N1CCc2sccc2[C@@H]1c1ccccc1 16963748 XVKHDFGZMSAIOT-NRFANRHFSA-N 423.628 6.015 0 40 HKAB Cc1ccc(C)c2sc(NC(=S)NC(=O)/C=C/c3ccc(C(C)C)cc3)nc12 17088342 LVDJRRYJZIPALQ-FMIVXFBMSA-N 409.580 5.563 0 40 HKAB Cc1ccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)C2CCCC2)cc1 19210351 CXBLWKGQZGTVHP-HJOGWXRNSA-N 408.611 5.063 0 40 HKAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20106186 NMDJNNRTXQZYFR-RUZDIDTESA-N 419.613 5.024 0 40 HKAB Cc1ccc2nsnc2c1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 21595768 LGUZEYDQDLXILX-UHFFFAOYSA-N 404.278 5.819 0 40 HKAB COc1ccc(/C=C(/C(=O)Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1 22517167 MUSHQUZNSFVWIH-HKOYGPOVSA-N 412.489 5.001 0 40 HKAB Clc1ccc(-c2cc(CSc3nc(CC4CCCC4)n[nH]3)on2)c(Cl)c1 22748449 GOYMRLKVBJZRLK-UHFFFAOYSA-N 409.342 5.792 0 40 HKAB O=C(c1ccc(CSCc2ncc(-c3ccc(Cl)cc3)o2)cc1)N1CCCC1 25083581 MSBVCEGLKBQLFE-UHFFFAOYSA-N 412.942 5.664 0 40 HKAB O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)N(Cc1cccnc1)C1CC1 28517551 MSOIGLACABEOQU-UHFFFAOYSA-N 423.516 5.527 0 40 HKAB CC(C)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(Cl)c1 44087383 KNYFORKWUCSBTI-UHFFFAOYSA-N 411.785 7.248 0 40 HKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(CN2CCCCC2)cc1 44874694 OZABJSLBBHTNKO-HXUWFJFHSA-N 408.586 5.054 0 40 HKAB CN(C(=O)C1CCN(c2ccc(Cl)cn2)CC1)c1ccc(Oc2ccccc2)cc1 58298386 LJVVJCQTVBMBPA-UHFFFAOYSA-N 421.928 5.407 0 40 HKAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 59500401 XBTCSUOTGFAZNH-ZQFKLAOWSA-N 413.904 5.301 0 40 HKAB biogenic CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 59500407 KTMHJJMYAHSILV-FGEXJBCWSA-N 413.904 5.301 0 40 HKAB biogenic O=C(NCc1ccco1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 66156267 GIMZRDJNKAVVGW-UHFFFAOYSA-N 400.394 5.065 0 40 HKAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 71844291 YXDIBPAOFZLIGQ-VXKWHMMOSA-N 422.956 6.112 0 40 HKAB Cc1ccccc1CN(Cc1ccccc1)Cn1nc(-c2ccoc2C)n(C)c1=S 84243868 PHWLQDZKVMYJMT-UHFFFAOYSA-N 418.566 5.488 0 40 HKAB Cc1cccc([C@@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)c1 101221782 VXEUSHOSSVPFLF-UNMCSNQZSA-N 408.332 6.798 0 40 HKAB COc1ccccc1[C@]1(CCN[C@H](C)c2ccc(Cl)cc2)CCO[C@H](C(C)C)C1 102708082 DZYXLXFXKIWHKF-BTZRARBUSA-N 416.005 6.162 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 222924600 JSCONZKMNRZUGR-QHCPKHFHSA-N 422.569 5.406 0 40 HKAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)C(c1ccccc1)c1ccccc1 222934898 JQMPIZATWOMBAQ-MRXNPFEDSA-N 406.323 5.559 0 40 HKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(OCC)cc2)o1 222982189 OWBMVOCVNLRCMJ-PKTZIBPZSA-N 421.566 5.513 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)CSCc2ccc(Cl)cc2F)cc1 223272422 YHLZNPULQYTCLD-HXUWFJFHSA-N 409.954 5.625 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)Cc2cccc(Cl)c2)cc1 223787815 CGJMIXIZPDUUQW-UHFFFAOYSA-N 402.277 5.976 0 40 HKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 224428717 SXWZBARIGOGEIX-FCHUYYIVSA-N 406.530 5.314 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224457390 DBSIPFDHDNMOSJ-HSZRJFAPSA-N 405.538 5.490 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1Cl 224925953 DQJRKAAWXAVSTL-UHFFFAOYSA-N 406.844 6.362 0 40 HKAB COc1ccc(OC)c2c1[C@H](c1cccc(NC(=O)C3CC3)c1)O[C@H]1CCCC[C@@H]21 245225998 CUDMNXSXYJGJGV-IMWIBFENSA-N 407.510 5.198 0 40 HKAB Cc1ccccc1CN(C(=O)COc1c(F)cccc1C(=O)O)[C@@H](C)c1ccccc1 257232163 GJRJXNVIEIOYKQ-SFHVURJKSA-N 421.468 5.001 0 40 HKAB O=C(c1ccc(Oc2ccccc2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 408623236 RUEONIUUIUCVRL-UHFFFAOYSA-N 409.268 7.277 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccc(F)cc2)c1 408696733 DVTSWTYYRVLKCN-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(Cl)cc2)cc1 408699549 UTPNUDBRZDDRKH-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB COc1cccc2cc(-c3nnc(SCc4ccc(Cl)cc4Cl)n3C)oc12 409333734 VLFBGKUQPZIHMJ-UHFFFAOYSA-N 420.321 5.836 0 40 HKAB CCCc1cnc(Nc2cccc(C3CCN(C(=O)C4CCCCC4)CC3)n2)s1 585262693 TVDWQPGYUFESHO-UHFFFAOYSA-N 412.603 5.521 0 40 HKAB Cc1ccc(CC(=O)N2CCCCCOc3ccccc3Oc3ncccc3C2)cc1 643565653 FQZREAYHRBGPDS-UHFFFAOYSA-N 416.521 5.316 0 40 HKAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c1 645128 JMLCBOPOOZCQKP-UHFFFAOYSA-N 403.301 5.091 0 40 HKAB COc1ccc2nc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)sc2c1 795842 XLFYDIXEPHINCQ-UHFFFAOYSA-N 420.519 5.266 0 40 HKAB CCOc1ccc(NC(=S)N2CCC[C@@H](c3nc4cc(C)c(C)cc4[nH]3)C2)cc1 1350049 IZWCIOQEOROIIE-QGZVFWFLSA-N 408.571 5.155 0 40 HKAB CCc1cccc2c(SCC(=O)NC3CCCC3)nc(-c3ccc(F)cc3)nc12 1367411 CJCGSFJWDXRMRG-UHFFFAOYSA-N 409.530 5.149 0 40 HKAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(-c2cccc(Cl)c2Cl)o1 1411752 HJRMNDQNCJMPCA-UHFFFAOYSA-N 417.292 5.342 0 40 HKAB Cc1c(Cl)cc(C(C)(C)C)c(O)c1Cc1c(C)c(Cl)cc(C(C)(C)C)c1O 1687248 ZQGZKEMTFYZITH-UHFFFAOYSA-N 409.397 7.207 0 40 HKAB in-vitro CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1cccc(Cl)c1 2057307 ZHCZPHCEFBTGHF-UHFFFAOYSA-N 403.981 6.755 0 40 HKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(c1ccc(F)cc1)CO3 2114561 XPXINMPPCXMNRK-UHFFFAOYSA-N 415.464 5.496 0 40 HKAB biogenic CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1ccccc1OC)CCCC3 2126463 VGCOYPNKBBFPIA-UHFFFAOYSA-N 420.549 6.382 0 40 HKAB biogenic Cc1cccc(Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 2186968 MLYKNICWAAWDDW-UHFFFAOYSA-N 413.296 5.731 0 40 HKAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2cc(Cl)cc(Cl)c2)cc1 2258126 ZYWQRAVRWCMRFB-UHFFFAOYSA-N 421.287 5.951 0 40 HKAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccccc1 2265535 QOAGYTJZVXSXHX-FUFSCUOVSA-N 408.482 5.892 0 40 HKAB Cc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)cc1 2714615 BMBFJEFCIHKNMT-UHFFFAOYSA-N 424.935 6.661 0 40 HKAB COc1ccc(-c2nn(-c3cccc(F)c3)c(-c3ccc(OC)cc3)c2Cl)cc1 2745807 RYLFIKRUEOJMJC-UHFFFAOYSA-N 408.860 6.016 0 40 HKAB O=c1c2sccc2nc(SCc2cccc(Cl)c2)n1CCc1ccccc1 2909129 AMUCDGNHWWKQOF-UHFFFAOYSA-N 412.967 5.646 0 40 HKAB COc1ccccc1SCc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1C 3050375 OCOUEFDGFXRZGK-UHFFFAOYSA-N 422.937 5.648 0 40 HKAB COc1ccc(CCNc2nc(-c3ccc(Br)cc3)cs2)cc1OC 3218372 KSKJRIUWFXTJPH-UHFFFAOYSA-N 419.344 5.244 0 40 HKAB Cc1ccc(Nc2nnc(SCC(=O)N(c3ccccc3)C(C)C)s2)c(C)c1 3239591 IKWOYHKNEFVHRL-UHFFFAOYSA-N 412.584 5.432 0 40 HKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)COc2ncnc3ccccc23)cc1 3267029 DZDKBYVVHHNXDL-UHFFFAOYSA-N 412.493 5.194 0 40 HKAB CCN(CC)c1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 3306026 AYMZQUFWIURMKX-UHFFFAOYSA-N 404.004 5.972 0 40 HKAB COc1cccc(CC(=O)N(c2ccccc2)c2nc(-c3ccc(F)cc3)cs2)c1 3348577 CATVTSDSOWGUIK-UHFFFAOYSA-N 418.493 5.865 0 40 HKAB Cn1c(SCc2ccccc2)nnc1-c1ccc(NC(=O)c2ccccc2)cc1 4167481 ARRNZPIXVUAPHN-UHFFFAOYSA-N 400.507 5.027 0 40 HKAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(-c3ccc(Br)cc3)on2)C1 4880588 ZQAUUIWVNVKDJY-FOIQADDNSA-N 403.320 5.145 0 40 HKAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3csc(-c4ccccc4)n3)c2)C1 5563076 IYYXYVNPVRMPNY-IRXDYDNUSA-N 412.580 5.144 0 40 HKAB Cc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C 5937860 YTNVVDUDPAXHQL-PXNSSMCTSA-N 421.570 5.131 0 40 HKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3Cl)CC2=O)cc1 8361843 LETPFLSXKMGTDY-LJQANCHMSA-N 415.924 5.567 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccccc2Cl)cc1C 8414265 VSUYPNXBLAPEJD-BKUYFWCQSA-N 424.953 5.106 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)COc2ccccc2)c1 8452474 GBSSNAHLYKJNPN-UHFFFAOYSA-N 424.884 5.009 0 40 HKAB O=C(c1ccccc1Br)N(Cc1ccc(CF)cc1)Cc1ccco1 8916103 ATVITCHWSPZEDZ-UHFFFAOYSA-N 402.263 5.354 0 40 HKAB COc1cc(C)c(NC(=O)c2ccccc2OCc2ccccc2Cl)cc1OC 9336457 CTESXHMLKDLCRR-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2Cl)cc1 9413782 KETGTXLHEXICIG-UHFFFAOYSA-N 420.852 5.599 0 40 HKAB CSc1ccc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)cc1 9632140 HSHNKJABTXSLIF-UHFFFAOYSA-N 424.472 5.348 0 40 HKAB COc1cccc(Nc2nc3ccccc3nc2Nc2cc(C)nn2-c2ccccc2)c1 11692199 UYRJKTOFWDSNQB-UHFFFAOYSA-N 422.492 5.620 0 40 HKAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1cc(Cl)ccc1Cl 12178540 GVNIUCRXAZUDBX-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc3c(c(-c4ccccc4)c12)CCCC3 12250493 LFLINHBNDSEVIH-UHFFFAOYSA-N 417.509 5.816 0 40 HKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCC3CCCCC3)CC2=O)cc1 12447796 AEODDGQHDRSGKN-NRFANRHFSA-N 401.554 5.836 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccc(Cl)cc1 12855227 JMAXJIVQOCEULD-UHFFFAOYSA-N 424.909 5.643 0 40 HKAB Cc1ccccc1NC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 13140996 SSFRRRFZIGJQPC-UHFFFAOYSA-N 415.927 5.644 0 40 HKAB CCOc1cc(C)c2cc(Cc3cc(C)c4nc(OCC)cc(C)c4c3)cc(C)c2n1 13283028 FRTYAUBHPZEEED-UHFFFAOYSA-N 414.549 6.405 0 40 HKAB O=C(CNC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)Nc1ccccc1 14153140 NPKFMBUTANACHX-UHFFFAOYSA-N 413.713 5.230 0 40 HKAB Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 17088139 SFWUJBDWOJAHHW-UHFFFAOYSA-N 408.910 5.943 0 40 HKAB O=C(NC[C@H]1CCCO1)Nc1ccc(NC(=O)c2ccc(C3CCCCC3)cc2)cc1 21208001 CXMFWJVCYSEZJZ-HSZRJFAPSA-N 421.541 5.287 0 40 HKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1cc(-c3ccco3)on1)CC2 24573630 YKEWTQFHRFBCFJ-QHCPKHFHSA-N 422.506 5.161 0 40 HKAB CCOc1ccc(-c2cn3c([n+]2-c2cccc(C(F)(F)F)c2)CCCCC3)cc1 26508536 PGKYFLYAMOZUIK-UHFFFAOYSA-N 401.452 5.576 0 40 HKAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N[C@H](c4ccccc4)C4CC4)cc3)o2)c1 30983502 KMMUIWOGYUOFJT-HSZRJFAPSA-N 409.489 5.593 0 40 HKAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCOc1ccc(C)cc1C 31903364 GFDDPVZTFNCGCC-QFIPXVFZSA-N 405.542 5.196 0 40 HKAB Cc1cc(OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(C(C)C)cc1Cl 32957867 AROWFFFEBAWTQE-UHFFFAOYSA-N 421.151 6.750 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(NC(=O)c4cccs4)c3)o2)cc1C 33574124 RSXGGJKKOJREAQ-UHFFFAOYSA-N 416.502 6.130 0 40 HKAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H](C)c1cccc(F)c1 40144963 IZBBZXKOHHYSSQ-ZDUSSCGKSA-N 416.905 5.592 0 40 HKAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccccc1 44087477 YNJSPTCVKKUEME-UHFFFAOYSA-N 419.937 5.924 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)NCc3ccc(OC(C)C)cc3)cc2)cc1 44900163 CBEUJUXMKAYKDS-UHFFFAOYSA-N 405.563 6.005 0 40 HKAB CCc1ccc([C@H](NCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)C(C)C)cc1 57849690 DMQBNTYHDYMJQD-RUZDIDTESA-N 418.585 5.285 0 40 HKAB CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCCC(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 64624177 NKMDIWKRKQFYPH-VIUFNMEASA-N 412.746 9.134 0 40 HKAB in-vitro CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@H]3CC=CC(=O)O3)[C@@H]21 67665381 BIYWBTKPNWCYHM-UQOCTWFCSA-N 400.559 5.391 0 40 HKAB in-vitro NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)CC2CCCCC2)CC1 72345278 VSGZRMHAXZHJOW-UHFFFAOYSA-N 424.610 5.022 0 40 HKAB Cc1cc(Br)c2oc(-c3cccc4c(Br)cccc34)nc2c1 73639156 VLIONNLTNKUHIX-UHFFFAOYSA-N 417.100 6.481 0 40 HKAB Cc1cc(NCc2csc(-c3ccccn3)n2)n(-c2cccc(C(F)(F)F)c2)n1 84105207 VDBFNEAAVBVROS-UHFFFAOYSA-N 415.444 5.330 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)COc1ccnc2cc(Br)ccc12 84224841 YDGAJPOOLGABLW-UHFFFAOYSA-N 413.315 5.447 0 40 HKAB CC1(C)CC2=NC(Nc3nc4ccccc4o3)=N[C@@H](c3cccc(F)c3)C2=C(O)C1 102689394 BSHVFGCRUHSIRK-FQEVSTJZSA-N 404.445 5.563 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 102822476 YUFZTSYDVPUHQS-MRXNPFEDSA-N 403.960 5.676 0 40 HKAB CCCCCCCC[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(CC)c2ccccc2)cc1 102997249 KTUPIGXZIMYICJ-WIOPSUGQSA-N 420.597 6.679 0 40 HKAB CCOc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 106974041 BOKRQRXOOYZWRK-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB Cc1ccccc1C1=N/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)O1 205763459 HHYLAJLVXJTAJC-HYARGMPZSA-N 403.865 5.572 0 40 HKAB COc1ccc(/C=C(/C(=O)N[C@@H](C)c2cc(OC)ccc2OC)c2ccccc2)cc1 222676054 JLSVUZRVHSWQFM-MRSJDWDVSA-N 417.505 5.130 0 40 HKAB COC(=O)c1cc(NC(=O)CSCc2ccc(Cl)cc2Cl)ccc1Cl 222720599 JMJBYQXYSDTZSJ-UHFFFAOYSA-N 418.729 5.305 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 222925431 PMVTVKJJFQZXQU-NRFANRHFSA-N 410.558 5.309 0 40 HKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 222956095 ALCIYVYTAUCNFK-RTWAWAEBSA-N 410.974 5.298 0 40 HKAB CC[C@@H](NC(=O)C1CCN(Cc2ccccc2C)CC1)c1ccc2c(c1)CCCC2 223103066 CIGVOHVKBWLVFU-AREMUKBSSA-N 404.598 5.353 0 40 HKAB Cc1ccc([C@H](NC(=O)[C@H](C)Oc2cccc3c2CCCC3)c2ccccc2)c(C)c1 223222616 PVXURCPUFRNHQC-KDYSTLNUSA-N 413.561 5.855 0 40 HKAB COc1ccc(/C=C(/C(=O)NCCOc2ccccc2Cl)c2ccccc2)cc1 223427243 MUEHRHLIEUQDDO-HEHNFIMWSA-N 407.897 5.084 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1c1ccccc1 224153396 KBNXKKNVSJTPEM-IAGOWNOFSA-N 416.369 5.083 0 40 HKAB COc1cccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)C)c2)c1 224230835 UWAAUEDRLZSEGO-UHFFFAOYSA-N 405.494 5.659 0 40 HKAB COc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccc2ccccc2c1 224309883 WBSVDIAHKWVRTM-UHFFFAOYSA-N 415.533 6.048 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1cccc(C)c1 224463101 HCRUUTSWALZSFK-GOSISDBHSA-N 407.485 5.603 0 40 HKAB CCOc1ccc(C(=O)NCCC(C)C)cc1COc1ccc(-c2ccccc2)cc1 224559262 IVYSLPXVNPVWKG-UHFFFAOYSA-N 417.549 6.107 0 40 HKAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCc1ccc(Cl)cc1Cl 225380948 KXOOHEQHGUQKCQ-UHFFFAOYSA-N 424.715 5.288 0 40 HKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225485277 JDXLCASORSLUEE-PXDATVDWSA-N 422.613 5.465 0 40 HKAB COc1ccc(-c2ccc(C(=O)Nc3ccc(Br)cc3N)o2)cc1Cl 226348726 NPIOEYHDHVINEB-UHFFFAOYSA-N 421.678 5.206 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253505642 YMMFNKXZULYSOQ-FBELJFJFSA-N 420.678 5.554 0 40 HKAB biogenic,in-vitro CC(C)C(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cc(F)ccc2O)C1 257305554 SQNHUUBGUKTYBC-VWPQPMDRSA-N 405.897 5.308 0 40 HKAB CCOc1cc(C(=O)Nc2cccc(C)c2)cc(Cl)c1OCc1ccc(C)cc1 408551856 GPOBWPFKZLWXKU-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2cccc(C)c2C)cc1 408697963 KJXLTYDHLGAVOQ-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408972907 HOXKUGSTIOZUAX-RUZDIDTESA-N 416.546 5.064 0 40 HKAB Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccccc1F 409207686 XJEZDFYDOBBRMY-RWEWTDSWSA-N 422.912 5.954 0 40 HKAB Clc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(Br)c1 2362797683 ARJNLKYBFBGTFQ-UHFFFAOYSA-N 422.713 6.289 0 40 HKAB Cc1c(C)n(C[C@H](O)Cn2cnc(-c3ccccc3)c2-c2ccccc2)c2ccccc12 707002 IFTGIXOZPDAXLO-XMMPIXPASA-N 421.544 5.850 0 40 HKAB Cc1ccc(N2C(=O)c3cccc4cc(Br)cc(c34)C2=O)cc1Cl 996426 IMHAVECZMJPFEC-UHFFFAOYSA-N 400.659 5.365 0 40 HKAB O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)Nc1ccc(F)c(Cl)c1 1329521 AMWDKWNUIPGSJY-UHFFFAOYSA-N 412.877 5.148 0 40 HKAB O=C(Nc1cccc(Cl)c1)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1 1369007 FRJNEHLBVLTPBU-NHCUHLMSSA-N 401.913 5.186 0 40 HKAB COc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2/C=C/c2ccc(Cl)cc2)cc1 1586717 RFALBESTBSCGMQ-XNRBQAOKSA-N 414.892 5.848 0 40 HKAB CC(C)(C)c1cc(C(C)(C)C)c(NC(=S)NC(=O)c2ccccc2)c(C(C)(C)C)c1 1782900 HEFTZORMGMTRPG-UHFFFAOYSA-N 424.654 6.706 0 40 HKAB CC(C)(C)c1ccc(-c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1 2076943 FSYBRVCKFLHHCF-UHFFFAOYSA-N 401.457 6.441 0 40 HKAB CC(C)(c1ccccc1)c1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1 2248037 GXLAJQRUIXYCST-UHFFFAOYSA-N 417.512 6.810 0 40 HKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 2318860 XYDRGHXZWPKFNA-UHFFFAOYSA-N 414.596 5.499 0 40 HKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)cc1)N(Cc1ccco1)C3=O 2402067 LFBZPAVNFXRBPP-OAQYLSRUSA-N 419.864 5.402 0 40 HKAB Cc1cc2nc(Nc3ncc4c(n3)C[C@@H](c3ccccc3)CC4=O)nc(C)c2cc1C 2404776 QDFLWAACJSMDMP-GOSISDBHSA-N 409.493 5.001 0 40 HKAB Cc1cc(C)nc(SCc2nnc(SC(C)C)n2-c2ccc(Cl)cc2)n1 2706412 WDVZQCMHIQAEOA-UHFFFAOYSA-N 405.980 5.120 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2754559 IPDQLGQQBXTSKQ-UHFFFAOYSA-N 407.322 6.156 0 40 HKAB CCc1ccc(/C=C2\CCC(C(=O)Nc3ccc(Cl)cc3)=C2N2CCCCC2)cc1 3262880 GYISFLYBZDXCJT-DYTRJAOYSA-N 420.984 6.458 0 40 HKAB O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1cccc(Br)c1 3272537 WNDDQPKOZHHKSQ-UHFFFAOYSA-N 422.363 5.100 0 40 HKAB FC(F)Sc1ccc(NC(=S)N(Cc2ccccc2)Cc2ccccc2)cc1 3287998 VIOVXZRPRYZTQQ-UHFFFAOYSA-N 414.546 6.401 0 40 HKAB Cc1ccccc1Cn1cc(SCC(=O)Nc2ccc(F)cc2)c2ccccc21 3581669 MFSUCGNLIXTSLL-UHFFFAOYSA-N 404.510 5.868 0 40 HKAB O=C(Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12)c1ccccc1 3655345 NHHOPNWCPRJFDP-UHFFFAOYSA-N 420.262 5.679 0 40 HKAB Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(C(F)(F)F)c2)CSC3)c(C)c1 4176089 REUMEQJBKWHVJP-UHFFFAOYSA-N 417.456 5.507 0 40 HKAB CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O 4385057 OYFYDCXOCCIANZ-HXUWFJFHSA-N 411.505 5.004 0 40 HKAB CCSc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 4585855 SIRWDVAPESAHNT-UHFFFAOYSA-N 400.525 5.192 0 40 HKAB O=C(COc1ccccc1)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 4739309 QRARREBAYUSROK-UHFFFAOYSA-N 405.837 5.131 0 40 HKAB CCCCN1C(=S)SC(C)(C)[C@@H]1N(O)C(=O)Nc1cccc2ccccc12 4795229 TUFSRHQSEXGCFO-KRWDZBQOSA-N 403.573 5.301 0 40 HKAB CCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 4811624 SPPJASBVBZPPEC-BDYUSTAISA-N 412.533 6.416 0 40 HKAB CCc1cc2c(C)ccc(C)c2nc1SCC(=O)Nc1cc(OC)ccc1OC 4849471 CGJRRBJBDIKRQL-UHFFFAOYSA-N 410.539 5.162 0 40 HKAB Cc1cc(C)n(-c2nc(SCCc3ccccc3)c3c4c(sc3n2)CCCC4)n1 5577176 KRYKQRDAUKSVHH-UHFFFAOYSA-N 420.607 5.707 0 40 HKAB CCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3C)cc1)C2=O 5952085 ACMQJMYWJIGDHN-UHFFFAOYSA-N 415.445 5.155 0 40 HKAB COc1cc(SC)ccc1C(=O)N(C1=N[C@H](C)CS1)c1ccc(Cl)cc1 6847496 INKPXYHOCVYFAH-GFCCVEGCSA-N 406.960 5.209 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)cc1 7073112 SZMVXWHLQKKLDM-GOSISDBHSA-N 416.521 5.778 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(OC[C@H]2CCCO2)cc1 7734902 FGORNGUBUPAVPI-OAQYLSRUSA-N 413.477 5.040 0 40 HKAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(C3CC3)n2C2CC2)c2ccccc2)cc1 7902793 WZEPWSZKQLOIPY-FQEVSTJZSA-N 404.539 5.271 0 40 HKAB Cc1ccc([C@H]2c3c(-c4ccc(C)cc4O)n[nH]c3C(=O)N2CCc2ccccc2)cc1 8845749 KPISOSJJJZONSM-SANMLTNESA-N 423.516 5.187 0 40 HKAB C[C@@H]1CCc2sc(-c3nnc(S[C@H](C)c4nnc(-c5ccccc5)o4)o3)cc2C1 9256810 YALDDZCJHVZPQO-CHWSQXEVSA-N 424.551 5.826 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 10120125 SKHXOBDERCNVGD-UHFFFAOYSA-N 400.478 5.560 0 40 HKAB CC(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 10434303 YGASOSVVFFUNRW-UHFFFAOYSA-N 400.522 5.311 0 40 HKAB CCOc1ccc([C@H]2Oc3c(OCC)cccc3[C@H]3CC(c4cccs4)=NN32)cc1 12196447 KAGQOPCFJSHNBV-HYBUGGRVSA-N 420.534 5.788 0 40 HKAB CSc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(Cl)cc3)s2)cc1 13109183 OBVUHEVWYHQJNP-GDNBJRDFSA-N 422.362 5.903 0 40 HKAB CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(C)cc4)n12)CCCC3 13499896 DXLPLZRVFMQIDE-UHFFFAOYSA-N 422.579 5.064 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=O)CSCc2c(Cl)cccc2Cl)c1 13668589 LFJPLYQPYKHSFI-UHFFFAOYSA-N 412.338 5.350 0 40 HKAB Cc1nn(-c2nc3ccccc3s2)c2nc(-c3ccco3)cc(C(F)(F)F)c12 15669889 LTKANAOJWWQUJJ-UHFFFAOYSA-N 400.385 5.617 0 40 HKAB O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1cccc(C(F)(F)F)c1 16399279 ULPSGVNIOLJQDF-UHFFFAOYSA-N 424.422 5.650 0 40 HKAB Cc1ccc([C@H](NC(=O)c2ccc(CN3CCC(C)CC3)cc2)c2ccccc2)cc1 20106598 BNMKWUHCYWEPHE-HHHXNRCGSA-N 412.577 5.746 0 40 HKAB COc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 20139979 MFPHSQVTNQTHAT-UHFFFAOYSA-N 406.221 5.213 0 40 HKAB CCCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 20414424 NVLFILHZDWZZDW-UHFFFAOYSA-N 402.519 6.313 0 40 HKAB CCOC(=O)c1cc(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)ccc1Cl 20457107 JBGQFPWMPYAXPJ-QGZVFWFLSA-N 412.338 5.680 0 40 HKAB Cc1noc(C)c1CC(=O)N(c1ccc(C(C)C)cc1)c1nc2ccccc2s1 24093501 DVGASQGCXCTTMI-UHFFFAOYSA-N 405.523 5.932 0 40 HKAB COc1ccc([C@@H]2CCCCCN2C(=O)CCCc2nc3ccccc3s2)cc1 24392355 CJLIEYNQBDTLJY-NRFANRHFSA-N 408.567 5.772 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)c2sc3nc(-c4ccco4)[nH]c(=O)c3c2C)cc1 24549403 DIENIDNWJVBTSM-GFCCVEGCSA-N 407.495 5.319 0 40 HKAB CN(Cc1ccccc1)C(=O)Nc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 26780060 ZIZYDQJSTSVWMR-UHFFFAOYSA-N 400.457 5.342 0 40 HKAB O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)N(Cc1ccc(F)cc1)C1CC1 26791116 SACNOZXBSYBVBL-RGMRCXJASA-N 420.366 5.441 0 40 HKAB Cc1cccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)c1C 32126893 WSHRQCXGBXNEFI-UHFFFAOYSA-N 422.484 6.282 0 40 HKAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(Cl)cc1Cl 32127315 FYENNAADNDFWBF-UHFFFAOYSA-N 418.309 5.029 0 40 HKAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1csc(-c2ccccc2Cl)n1 32740810 ARGAQQSWCOMOOV-UHFFFAOYSA-N 424.875 5.683 0 40 HKAB O=C(Cc1csc(-c2ccccc2)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 32983616 GMPARUWTUBBGNN-KRWDZBQOSA-N 419.575 5.369 0 40 HKAB CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1 33645537 OADPPQVAZOVBLC-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB Cc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)Nc3ccccc3)cc2c1 35311112 RRYUTWBEUADSFU-UHFFFAOYSA-N 421.953 6.492 0 40 HKAB CSc1ccc(Cl)c(C(=O)NCc2cccc(C(=O)Nc3ccccc3)c2)c1 40106719 SZAZZDOSJPBTMQ-UHFFFAOYSA-N 410.926 5.244 0 40 HKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2OC3(C)C)cc1OC 40486325 JFBGKDMFPHZKFE-INIZCTEOSA-N 407.297 5.290 0 40 HKAB FC(F)(F)c1cccc(N2CCN(CCOc3cccc4ccccc34)CC2)c1 57050663 BOHRAKGAVRMLCC-UHFFFAOYSA-N 400.444 5.060 0 40 HKAB O=C(c1cn(Cc2ccccc2F)c2ccc(Br)cc12)C(F)(F)F 59109426 ZCWHXEPJJCWGPR-UHFFFAOYSA-N 400.169 5.336 0 40 HKAB CCCOc1ccc(CNc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)cc1 67288224 SHRKMMTYZUZYEQ-UHFFFAOYSA-N 407.489 5.011 0 40 HKAB O=C(Cc1ccc(O)cc1)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 72349683 SAMIHGGBNDBCBV-IBGZPJMESA-N 406.913 5.056 0 40 HKAB CCCc1ccc(-c2csc(N3C(=O)[C@H]4[C@@H]5CC[C@H](C5=C(C)C)[C@H]4C3=O)n2)cc1 100966671 GGWYDROXNIJJJZ-DGQTTZFYSA-N 406.551 5.244 0 40 HKAB COc1cc([C@@H]2C3=C(O)C[C@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)ccc1O 102720405 GHTSTQXWZJSZCL-QRQCRPRQSA-N 418.449 5.011 0 40 HKAB CC(C)C[C@H]1N[C@@]2(C(=O)Nc3ccccc32)[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 105825758 IMTMMGXRAMGUDP-YKKMPQLRSA-N 424.544 5.135 0 40 HKAB Cc1ccc(CSc2nnc(-c3cc4cc(Br)ccc4o3)n2C)cc1 107739185 DIACAKGMKVNAEJ-UHFFFAOYSA-N 414.328 5.592 0 40 HKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)cc2)S1 222605208 IRJGNJVUWPYAHQ-HVETUWLQSA-N 403.576 5.822 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1ccccc1Cl 223009905 CJXPHLWXWGVUIW-IBGZPJMESA-N 412.382 5.509 0 40 HKAB COc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)c(Cl)c1Cl 223853625 LMYALIFJEDJJIR-UHFFFAOYSA-N 408.306 5.055 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)c1 224232198 XLVDLNAXIUHLTF-PKTZIBPZSA-N 404.583 5.566 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2CC 225121843 GLIVMHZULZKNRS-IBGZPJMESA-N 412.555 5.177 0 40 HKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 225188694 NZKFJUACZIHJHM-RUZDIDTESA-N 422.613 5.385 0 40 HKAB C[C@@H]1C[C@H]2CC[C@@]1(NC(=O)CCCCC(=O)N[C@@H]1C[C@H]3CC[C@@]1(C)C3(C)C)C2(C)C 245231700 ISINGHVAECMBPX-SPXCRQPFSA-N 416.650 5.209 0 40 HKAB O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3ccc4ccccc4c3)C2)no1 257238151 HJUQFZYXQRCILV-JOCHJYFZSA-N 417.553 5.270 0 40 HKAB O=C(CSCc1cccc(Cl)c1)Nc1ccccc1C(=O)N1CCCCCC1 408563802 QRFWVEWVJWUQBN-UHFFFAOYSA-N 416.974 5.228 0 40 HKAB CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1cccc(F)c1 408613028 WMHGTZOUJCGBRR-UHFFFAOYSA-N 403.856 6.208 0 40 HKAB Cc1ccc(COc2ccc(Br)cc2/C=C2\SC(=O)N(C)C2=O)cc1 408817032 MQKIJEUAENPUFU-YVLHZVERSA-N 418.312 5.003 0 40 HKAB COc1cccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1 408817045 STNQUFDRXFNWFT-OPNIWQPMSA-N 407.559 5.749 0 40 HKAB CCCc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccc(OCC)cc1 408833358 JMPFVFDHEXJKBX-UHFFFAOYSA-N 400.931 6.067 0 40 HKAB Cc1c(/C=C2/SC(=O)N(C(C)C)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 409024359 RCWGUPMMGIFERI-CIAFOILYSA-N 424.953 6.096 0 40 HKAB CCOc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)ccc1OCC(C)C 409105728 OBXVNKAYNNDOCV-MFOYZWKCSA-N 405.416 5.632 0 40 HKAB Cc1cccc(C)c1N(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 409383930 PNTCCDOIMTYPDD-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1C 817479 VFSRKMXXQKTKOS-UHFFFAOYSA-N 409.445 5.612 0 40 HKAB O=C(CSc1nnc(-c2cccs2)o1)N(C1CCCCC1)C1CCCCC1 928221 TUCHCHCRQWBTQH-UHFFFAOYSA-N 405.589 5.384 0 40 HKAB COc1ccc([C@@H](CC(=O)c2ccco2)Sc2ccc(Cl)cc2)cc1OC 945405 ULBKTHAHCYWOJY-OAQYLSRUSA-N 402.899 6.057 0 40 HKAB O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1ccc(F)cc1 1011148 STYNARCKKSAPBY-ODLFYWEKSA-N 413.857 5.976 0 40 HKAB Cc1ccc(COc2ccccc2C(=S)N2CCN(c3ccc(F)cc3)CC2)cc1 1113964 JTBNHWCIDGRJQY-UHFFFAOYSA-N 420.553 5.211 0 40 HKAB CCOc1ccc2[nH]c(=O)c(-c3nc4cc(C)ccn4c3NC(C)(C)CC)cc2c1 1330393 QEZRCRDLVBIBBC-UHFFFAOYSA-N 404.514 5.150 0 40 HKAB FC(F)(F)c1cccc(NC(=S)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 1335372 BWGQQKXTZNJPQC-UHFFFAOYSA-N 404.461 5.158 0 40 HKAB Cc1cccc(-c2cc3nc(C)c(C)c(NCc4cccc(C(F)(F)F)c4)n3n2)c1 1355218 OGJSUXARQWKPAL-UHFFFAOYSA-N 410.443 5.952 0 40 HKAB Cc1cc(C)c2[nH]c(=O)c(-c3nc4ccc(Cl)cn4c3NC3CCCCC3)cc2c1 1376120 FPTQHVGFCWKCRJ-UHFFFAOYSA-N 420.944 5.858 0 40 HKAB Clc1ccc(COn2c(-c3ccccc3Cl)nc3ncccc32)cc1Cl 1400247 MLDNTNLJZORLDZ-UHFFFAOYSA-N 404.684 5.687 0 40 HKAB c1ccc(C[n+]2sc(N(c3ccccc3)c3ccccc3)nc2-c2ccccc2)cc1 1809877 YAGBRLRRZGYAII-UHFFFAOYSA-N 420.561 6.616 0 40 HKAB CCCC[C@@](CCC(=O)O)(C(=O)OCC)c1cnc(Nc2ccc(C)cc2)s1 1869275 DBHXNQALKYQSGU-NRFANRHFSA-N 404.532 5.051 0 40 HKAB CCCCCCNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 2086040 HCNXRASCFAQPGS-UHFFFAOYSA-N 411.343 5.974 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C1c2ccccc2Oc2ccccc21 2754546 ZVPVDTLCLZSOLF-UHFFFAOYSA-N 418.905 6.340 0 40 HKAB Cc1oc2cc(OCC(=O)c3ccccc3)ccc2c(=O)c1-c1c(F)cccc1Cl 3223168 ZRWRTOQTXIWCSR-UHFFFAOYSA-N 422.839 5.823 0 40 HKAB CC(=O)Nc1ccc(S[C@@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1 3458856 UWCZBKMLNAVWBN-HSZRJFAPSA-N 418.518 5.320 0 40 HKAB Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3cccc(Br)c3)s2)c1C 4070364 LVXFAMJOEYUCLK-UHFFFAOYSA-N 416.344 5.454 0 40 HKAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)C2CCCC2)cc1 4216402 QTEGIZHVVFBYRO-HSZRJFAPSA-N 408.542 5.163 0 40 HKAB CCCCCc1ccc(-c2ccc(-c3noc(-c4ccc(OC)c(F)c4)n3)cc2)cc1 4598977 KVLGWHBLIPNGNZ-UHFFFAOYSA-N 416.496 6.951 0 40 HKAB CC(=O)O[C@H]1CCC(C)(C)[C@H]2CC[C@@]34C=C[C@]5(COC(C)(C)O[C@@H]5C[C@H]3[C@]12C)C4 5037508 QRORYNDRXLUNCK-FXZWVVHNSA-N 402.575 5.259 0 40 HKAB biogenic,in-vitro COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc(Cl)c4)=NN32)cc1OC 5215252 FFRJHCZUBLVPPE-RDPSFJRHSA-N 420.896 5.600 0 40 HKAB CC(=O)Oc1ccc(OC(C)=O)c(C[C@]2(C)[C@@H](C)CC[C@]3(C)[C@@H](C)CCC[C@@H]32)c1 5533717 JNPCOXQSZZCMMB-ZAVYGHGMSA-N 400.559 5.958 0 40 HKAB CCCCCN/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 6050820 RFTZZQQDSMDUQI-XMHGGMMESA-N 402.416 5.013 0 40 HKAB Cc1ccc(OCc2ccc(C(=O)Oc3ccc(C4CCCCC4)cc3)cc2)cc1 6479745 KXWCSPXKLQDJBH-UHFFFAOYSA-N 400.518 6.841 0 40 HKAB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccccc1Oc1ccccc1 6544137 BRDONDLINUXFQJ-UHFFFAOYSA-N 417.490 5.184 0 40 HKAB CC(=O)c1cccc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)c1 6623924 AYTKYJFBBLHRBC-UHFFFAOYSA-N 417.461 5.157 0 40 HKAB biogenic CN(C)C(=O)[C@@H](Sc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1 6843078 LVLWQIVXAWYJAY-IBGZPJMESA-N 405.548 5.280 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)Cc2csc(-c3ccccc3)n2)cc1OCC 6847712 HNZHUKDTGYGOGM-INIZCTEOSA-N 410.539 5.027 0 40 HKAB CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 7112412 SBCFGMGGHJBFIG-HXUWFJFHSA-N 424.545 5.121 0 40 HKAB CC(C)c1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3o2)cc1 8903039 HATPURCSYMEHRX-UHFFFAOYSA-N 420.896 6.289 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)Nc3c(Cl)ccc(C)c3Cl)n2C)c1 9507960 SDMYAARZVKELHN-UHFFFAOYSA-N 421.353 5.137 0 40 HKAB Cn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccccc1Cl 9809262 FYTJUAWPSYOMFX-UHFFFAOYSA-N 418.309 5.131 0 40 HKAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCc1ccc(Cl)cc1 9833601 SAUXVURRSIYLGJ-XMMPIXPASA-N 400.909 5.918 0 40 HKAB Cc1ccc(-c2nc(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)cs2)cc1 12865566 WMLNEQUNYOQZAX-UHFFFAOYSA-N 420.365 5.496 0 40 HKAB Cc1sc2nc(SCc3c(F)cccc3F)n(Cc3ccco3)c(=O)c2c1C 13514390 KHRHTEVUICEIHI-UHFFFAOYSA-N 418.490 5.287 0 40 HKAB COc1cc(OC)c(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Cl 13525556 ZKOWIRAMZCKCSK-UHFFFAOYSA-N 418.704 5.462 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl 17090118 MZCZBKBODCTEBE-LLVKDONJSA-N 414.760 6.795 0 40 HKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)c1 17090367 VZCKASMXKXQQOI-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB CCC(CC)C(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19500167 YMMGRHGZESLMKG-QFIPXVFZSA-N 415.541 5.382 0 40 HKAB CCOc1ccc(CN[C@H](Cc2ccsc2)c2nc(C)c(C)s2)cc1OC 19533953 GOMZAZIQFYIVGL-GOSISDBHSA-N 402.585 5.302 0 40 HKAB Cc1ccc(C(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 19593428 FLYIHTMXEVVEDD-DEOSSOPVSA-N 404.941 5.196 0 40 HKAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1 20110904 ZMUQMCLYCCTSRS-IBGZPJMESA-N 416.370 5.209 0 40 HKAB CC(C)C[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 22516355 LGKPNGXMBPOISF-MHZLTWQESA-N 412.577 5.762 0 40 HKAB COc1ccc([C@@H]2CCCCCN2C(=O)c2sc(-c3ccccn3)nc2C)cc1 24393510 TXVLAQVUFFIDHQ-FQEVSTJZSA-N 407.539 5.280 0 40 HKAB CC[C@H](C)c1ccc(Cn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1 28048253 MMTUNOBAFRYHAS-SFHVURJKSA-N 401.510 5.463 0 40 HKAB CC(=O)N(CC[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 32096990 QTDJRNMXMWGMNJ-DHIUTWEWSA-N 417.952 5.807 0 40 HKAB O=C(/C=C/c1ccccc1OC(F)F)N1CCc2sccc2[C@H]1c1cccs1 36648469 WHFBCBAEFWDVDF-DUIUGDAFSA-N 417.502 5.599 0 40 HKAB O=C(NCc1ccc2c(c1)OCO2)c1scc(-c2ccc(F)cc2)c1-n1cccc1 38653849 DSLPCAWIXSARHF-UHFFFAOYSA-N 420.465 5.004 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)c1 38858321 BNFPFURNGKOZQU-MRXNPFEDSA-N 405.325 5.047 0 40 HKAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCC[C@@H]1c1ccncc1 42796643 LOKDGLIAIMWGPX-GOSISDBHSA-N 413.930 5.056 0 40 HKAB C[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(C(C)(C)C)cc1 44905993 REZZNYQNGPCGNY-RXVVDRJESA-N 413.005 5.727 0 40 HKAB COc1ccc([C@@H](NCC(=O)Nc2ccccc2-c2ccccc2)c2ccccc2)cc1 58157836 FZOBCYMTOFKSSW-NDEPHWFRSA-N 422.528 5.680 0 40 HKAB O=S(=O)(Nc1ccc(Oc2cnccn2)cc1)c1ccc(C2CCCCC2)cc1 58358192 DCHKYJMDLQILPX-UHFFFAOYSA-N 409.511 5.117 0 40 HKAB COc1ccc(CNC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)cc1 64472794 HYXVTTFWHSUOFP-UHFFFAOYSA-N 422.937 5.798 0 40 HKAB CC(=O)Nc1ccc(CN2CCC[C@@H](c3cccc(Cc4ccccc4F)n3)C2)cc1 72349937 ICYJKOOMTDJHQN-JOCHJYFZSA-N 417.528 5.150 0 40 HKAB CCN(CC)Cc1ccc(-c2nnc(-c3cnc4onc(-c5ccccc5)c4c3)o2)o1 84773474 LYDOAWSOYFGGPS-UHFFFAOYSA-N 415.453 5.042 0 40 HKAB O=C(COc1ccccc1F)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 96124436 WVEYGHHMQQRSTO-UHFFFAOYSA-N 420.469 5.105 0 40 HKAB CCCCn1nc(C)c2c(C(=O)N[C@@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c(Cl)c(C)nc21 101568503 RCAGSOYIKVEZOW-DXEWXGHRSA-N 402.970 5.056 0 40 HKAB COc1cc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3onc(C)c32)ccc1O 102716442 UEAJGAXKXZIAGL-KSFYIVLOSA-N 402.450 5.305 0 40 HKAB O=C(CSCc1ccccc1F)NCCSCc1ccc(Cl)cc1Cl 222700095 NBTSSJDQZVLRPC-UHFFFAOYSA-N 418.386 5.415 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccccc1C 224372859 MNDCEPPHZDTEIU-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COCc1ccccc1 224746710 ZFSJWKPDAPDIIN-UHFFFAOYSA-N 403.522 6.178 0 40 HKAB CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 224990558 BXIXUUSXLDDRHO-UHFFFAOYSA-N 420.781 5.040 0 40 HKAB Cc1ccc([C@H](NC(=S)Nc2ccc(Br)cc2F)C(C)C)c(C)c1 225765225 TUBXEXYYMLPAQS-GOSISDBHSA-N 409.368 5.889 0 40 HKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@H]1CCCc2ccccc21 225851635 PENQFMDXPXLOIB-NRPPHEFGSA-N 416.546 5.021 0 40 HKAB Clc1ccccc1CN1CC=C(c2nc3cc(Br)ccc3o2)CC1 226251082 CGADDZYUEMJXNN-UHFFFAOYSA-N 403.707 5.533 0 40 HKAB Cc1cccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 408572717 HVDJDJQRMYGTMX-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB COc1cc(C(=S)NCCc2ccccc2)ccc1OCc1ccc(Cl)cc1 408577910 VQUAENZXWPIWHP-UHFFFAOYSA-N 411.954 5.435 0 40 HKAB Cc1nc(-c2ccc(C(=O)Nc3ccc(Br)cc3C)cc2)c(C)s1 408579016 CISPQTRHUMEQPS-UHFFFAOYSA-N 401.329 5.750 0 40 HKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(Cl)c2C)cc1 408678680 UPYCTCHLMIUACI-UHFFFAOYSA-N 418.880 5.398 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)cc1 408697203 FZYIKFXJWYNBFW-UHFFFAOYSA-N 416.912 5.711 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2ccc(F)cc2)cc1 408698704 ROXMTTVNSKHKSV-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)nn2-c2ccc(C)c(Cl)c2)cc1 408699293 SRYSEQXLYQBBFN-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cccc(C)c1OCC(=O)Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1 408713344 UPLBOHSAYZAEKR-UHFFFAOYSA-N 422.550 5.162 0 40 HKAB Cc1nc2c(-c3ccc(Cl)cc3)c(-c3ccccc3)nn2c(N)c1-c1ccccc1 409060788 VYMXCSQLFBENRY-UHFFFAOYSA-N 410.908 6.274 0 40 HKAB O=C(Nc1c(F)cccc1F)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409088972 LGLGKBHYCOMVFE-UHFFFAOYSA-N 420.459 5.123 0 40 HKAB FC(F)(F)c1cc(-c2ccccc2)nc(SCc2ccc(Cl)cc2Cl)n1 409109753 KRGYDUVAMYQHOS-UHFFFAOYSA-N 415.267 6.762 0 40 HKAB Cc1c(Cl)cccc1NCc1ccccc1OCc1ccc(Cl)cc1Cl 409110768 YIWWCZJLSDYYAC-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB O=C1S[C@H](Cc2ccc(OCc3ccccc3F)cc2)C(=O)N1Cc1ccccc1 409141891 CCBDURQVHSYQPF-JOCHJYFZSA-N 421.493 5.211 0 40 HKAB COc1cccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccccc3)n2C)c1 409195046 OXBYHBCMUADXEG-IZHYLOQSSA-N 400.503 5.170 0 40 HKAB Clc1cccc(-c2nc(-c3ccccc3)ncc2-c2nnnn2-c2ccccc2)c1 1038987 UNMOEOQTWMTQJU-UHFFFAOYSA-N 410.868 5.107 0 40 HKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3cccc(F)c3)cc2c1 1359610 PLKNCLWBKCGGCZ-UHFFFAOYSA-N 414.480 5.127 0 40 HKAB COc1ccc(Oc2c(Cl)cnn(-c3c(Cl)cc(F)cc3Cl)c2=O)cc1 1393847 MJTRLPMJALCHJY-UHFFFAOYSA-N 415.635 5.133 0 40 HKAB CCCCOc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c1 1863390 NRDXWXQFTQAZKJ-UHFFFAOYSA-N 406.448 5.737 0 40 HKAB Cc1ccc(NC(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1Cl 1960814 AWRTWGYLMDVLAO-UHFFFAOYSA-N 419.864 5.439 0 40 HKAB biogenic CCN(CC)c1ccc(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c(C)c1 2069503 QZNVCMQJIZCFTR-HXUWFJFHSA-N 414.549 5.814 0 40 HKAB O=C(COc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Cl)cc1Cl 2195734 JHSBFVLAZNLJMQ-UHFFFAOYSA-N 409.272 5.865 0 40 HKAB Cc1nn(C(=O)c2cccc(COc3cc(Cl)ccc3Cl)c2)c(C)c1Cl 2763539 ALCQRKZCPRMYLI-UHFFFAOYSA-N 409.700 5.728 0 40 HKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(C)c4)c3N2)cc1 3012757 IIIPKBSBPPWTGY-OALUTQOASA-N 414.431 5.413 0 40 HKAB CC(C)(C)C1CCC(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)CC1 3288097 NAHGYWQBEMJBPP-UHFFFAOYSA-N 411.615 5.492 0 40 HKAB CCCCc1ccc2nc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)sc2c1 3314866 QPILGMWZVLKYBK-JXMROGBWSA-N 405.350 6.598 0 40 HKAB Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 3322849 ZQPAEVVRKQTGHN-UHFFFAOYSA-N 415.877 5.075 0 40 HKAB O=c1c2ccccc2nc(SCc2cccc3ccccc23)n1Nc1ccccc1 3349389 VPIVMAWXMYXSGI-UHFFFAOYSA-N 409.514 5.717 0 40 HKAB Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)c3c(C)[nH]c4ccccc34)o2)c1 3363279 YMDGVSXSIYDZFM-HNNXBMFYSA-N 407.495 5.110 0 40 HKAB c1ccc(-c2csc3nc(CN4CCCCC4)nc(NC4CCCCC4)c23)cc1 3434662 LEFJBYXVEJHLTK-UHFFFAOYSA-N 406.599 6.089 0 40 HKAB C[C@@H](Oc1ccccc1F)C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 3655468 ADYZZOFMUHGYGS-CQSZACIVSA-N 421.399 5.348 0 40 HKAB Cc1ccccc1Cn1cc(SCC(=O)NCc2ccccc2)c2ccccc21 4060748 DWXSLFHSOFVUJK-UHFFFAOYSA-N 400.547 5.407 0 40 HKAB CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C(=O)OC)cc2)cc1OC 4342397 GLFYYTBUKJPYPK-OQLLNIDSSA-N 412.482 5.060 0 40 HKAB CC(C)CCCCCOP(OCCCCCC(C)C)OCCCCCC(C)C 4404606 DECPGQLXYYCNEZ-UHFFFAOYSA-N 418.643 8.912 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc4ccccc24)N3)C1 4553432 ZYYWARZMEXHQOL-OPAMFIHVSA-N 404.579 6.871 0 40 HKAB Cc1cccc(NCc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)c1 4981165 JXGZPAOMQAUDMP-LJAQVGFWSA-N 417.556 6.963 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3o2)c(O)c1)c1ccc(Br)cc1 5172325 HCZPJLNQPVYESQ-UHFFFAOYSA-N 409.239 5.215 0 40 HKAB Cc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 6024057 TYOXBGNMNOLDQG-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1SCC(=O)OCc1c(F)cccc1Cl 6590143 JQBIOIBQBURBFC-UHFFFAOYSA-N 404.894 5.117 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)Cc3coc4ccc5ccccc5c34)ccc21 6713890 XXJCUAUBTVIWKG-UHFFFAOYSA-N 418.496 6.895 0 40 HKAB COc1ccccc1-c1c(C)noc1-c1ccc(OCc2cc(C)ccc2C)cc1O 6755268 MFHRHJWFXBXGFB-UHFFFAOYSA-N 415.489 6.227 0 40 HKAB biogenic O=C(Oc1ccc2cc(Br)ccc2c1)c1ccccc1Br 6931082 LXUZHYYFQZIGSM-UHFFFAOYSA-N 406.073 5.584 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1 7080102 XBDLLHVEYXCMLS-INIZCTEOSA-N 418.468 6.165 0 40 HKAB COc1ccc(-c2nc(CC(=O)Nc3nc(-c4ccccc4)cs3)cs2)cc1 8112537 HOGCRWRVTBZYDI-UHFFFAOYSA-N 407.520 5.123 0 40 HKAB O=C(Cc1ccc(Cl)s1)SCCSC(=O)Cc1ccc(Cl)s1 8329240 PYFCFCPUTNUZKK-UHFFFAOYSA-N 411.422 5.421 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1cc(Cl)c(Cl)cc1Cl 9305182 AAUKHJQMXYTTEY-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCc2sccc2[C@H]1c1cccs1 9513207 DYWIOGNGXCCZDH-SFHVURJKSA-N 417.939 5.022 0 40 HKAB COc1cc(C(=O)CSc2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1OC 9583367 SGLGWEKOZKVALV-UHFFFAOYSA-N 420.836 5.360 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1nnc(SCc2ccccc2)s1 9642965 JKVWZFQIKQKWNO-UHFFFAOYSA-N 407.520 5.245 0 40 HKAB Cc1cc(C(=O)Nc2cccc(C3SCCS3)c2)c2nc3n(c2n1)CCCCC3 12544714 RCKXOWCLACCUQM-UHFFFAOYSA-N 424.595 5.197 0 40 HKAB O=C(Nc1cccc(C2SCCS2)c1)C1C[C@@H]2CC[C@H](C1)C21SCCS1 12791071 ZYRNEISWQDLBLO-MQVJKMGUSA-N 423.694 5.716 0 40 HKAB COc1ccc(CNc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1OC 13496562 FZZBVWVETOTCTF-UHFFFAOYSA-N 407.901 5.367 0 40 HKAB COc1ccc(OCc2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)cc1 13534954 DCSRVNXDNSDMHW-UHFFFAOYSA-N 400.522 5.970 0 40 HKAB CCc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccc4nccnc4c3)C2)cc1 13721233 FCRUIEGDFFWBFT-RUZDIDTESA-N 406.489 5.184 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1(c2cccs2)CCCC1 13803106 CIGUPNNWOZLBFP-UHFFFAOYSA-N 400.931 5.607 0 40 HKAB CCN(C(=O)c1ccc(Br)cc1F)c1nc2cc(Cl)ccc2s1 14671252 UDZNPAVEDYXXCF-UHFFFAOYSA-N 413.699 5.518 0 40 HKAB C/C(=C\c1ccccc1)[C@H]1C(=O)N(c2ccc(C)c(C)c2)CC(=O)N1c1ccc(C)cc1 15412668 XWEYPVZUJUASBR-UJLHVFMHSA-N 424.544 5.464 0 40 HKAB Cc1ccc(OCc2nc(C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)cs2)cc1 16160420 CGMKJYZTOZGKRG-CQSZACIVSA-N 415.898 5.112 0 40 HKAB Cc1ccc(Nc2cc(C)nc3nc(C45CC6CC(CC(C6)C4)C5)nn23)c(Cl)c1 16285102 JUNYGEYUNVWHKW-UHFFFAOYSA-N 407.949 5.606 0 40 HKAB Cc1ccccc1OCC(=O)Nc1cc(C)c(O)c(-c2nc3ccccc3s2)c1 16363018 DTOZVEBHSOYULS-UHFFFAOYSA-N 404.491 5.303 0 40 HKAB Cc1noc(C)c1Cc1c(C(=O)Nc2ccc3nc(C(C)C)sc3c2)noc1C 19580989 QNEORDFVEVJOKL-UHFFFAOYSA-N 410.499 5.164 0 40 HKAB CCOC(=O)c1cc(NC(=O)CC(c2ccccc2)c2ccccc2)ccc1Cl 22527462 YUZUOZWTOIJXTF-UHFFFAOYSA-N 407.897 5.677 0 40 HKAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(SCc2cscn2)cc1 29315919 RZBBLYAPMVFSHK-JOCHJYFZSA-N 423.607 5.002 0 40 HKAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)Cc1ccc(Cl)cc1 32610618 AUDJCJLXJONUAV-UHFFFAOYSA-N 406.288 5.175 0 40 HKAB CC1(C)Oc2ccc(NC(=O)Cc3csc(-c4ccccc4Cl)n3)cc2O1 32931709 SIFZYVLJVCLGFY-UHFFFAOYSA-N 400.887 5.152 0 40 HKAB COc1cccc2cc(-c3nc(-c4ccccc4)cs3)/c(=N/c3nccs3)oc12 33393109 UWRVPAZBCRIRHC-QQTULTPQSA-N 417.515 5.921 0 40 HKAB O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1-c1ccc(F)cc1 33689939 DONPAXMERJPZEA-UHFFFAOYSA-N 414.864 5.610 0 40 HKAB Cc1ccc(-c2noc(-c3c(NC(=O)c4ccco4)sc4c3CCCC4)n2)cc1 35671276 RSPSTHYMWCWQOL-UHFFFAOYSA-N 405.479 5.498 0 40 HKAB Cc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2-c2ccc(F)cc2)cc1 44087097 RGDWTVNDDKXCPJ-UHFFFAOYSA-N 422.485 5.014 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCC1 44849756 IZJNEISGHPBMRL-HXUWFJFHSA-N 416.974 5.476 0 40 HKAB CSc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)c1 46078590 JFMTWTJCDYTKOX-UHFFFAOYSA-N 416.546 5.562 0 40 HKAB CC(C)[C@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1ccc(C2CCCCC2)cc1 57984656 AFNQZMYOHUCHAQ-MHZLTWQESA-N 416.565 5.563 0 40 HKAB COc1ccc(Cn2c(SCc3cccc(Cl)c3)nc3ccccc3c2=O)cc1 67258840 JLHJNMYVYXIXTN-UHFFFAOYSA-N 422.937 5.399 0 40 HKAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@H]1CCCN1C(=O)OCc1ccccc1 85382189 CERUOKKWIFCEEH-HSZRJFAPSA-N 400.478 5.093 0 40 HKAB Clc1ccc([C@@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3ncnn32)c(Cl)c1 101077465 HAZULESECQWZEK-QFIPXVFZSA-N 419.315 6.308 0 40 HKAB CCCCCC[C@H](O)C/C=C/CCCCCC/C(C(=O)OC)=C(/O)C(=O)OCC 102973232 UHLSVUAQNIGZDA-QZNVSVCVSA-N 412.567 5.153 0 40 HKAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 222582312 LAQKWJXQCNCKTK-UHFFFAOYSA-N 409.770 5.516 0 40 HKAB COC(=O)c1cn(C(=O)c2cc(Cl)ccc2OCc2ccccc2)c2ccccc12 222628669 DNMJGTAUMFDECN-UHFFFAOYSA-N 419.864 5.349 0 40 HKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 223061592 KNFHCPDAAHSWGP-GOSISDBHSA-N 413.568 5.243 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccccc1OC 224241591 DEULAGKVBPQDPP-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)c1 224296434 ZOTQPMZEVKRSSZ-VXKWHMMOSA-N 404.583 5.432 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCCCCC3)o2)c(OC)c1 224936148 KFZXYNZBQQYRDI-UHFFFAOYSA-N 406.482 5.042 0 40 HKAB Cc1ccc(-c2nnc(NC(=O)c3ccccc3SCc3ccccc3)s2)cc1 225055622 RWYPQUGDHYSNNB-UHFFFAOYSA-N 417.559 6.058 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c2ccccc12 225679494 HPRSOPNETUSYFT-UHFFFAOYSA-N 401.550 6.778 0 40 HKAB O=C(c1cc2cccc(Cl)c2oc1=O)N(Cc1ccccc1)Cc1ccccc1 226040164 YMSREMPDGYXXCK-UHFFFAOYSA-N 403.865 5.289 0 40 HKAB COc1c(Cl)cc(-c2nc3cc(N(C)C(=O)C(F)(F)F)ccc3o2)cc1Cl 226272121 PZSJOVVRMAPXOH-UHFFFAOYSA-N 419.186 5.335 0 40 HKAB C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@H](O)CC[C@]5(C)C4=CC[C@]23C)O[C@@]12CC[C@@H](C)CO2 253505114 QCVKYDNFSXDPSW-GBDUMCJGSA-N 414.630 5.714 0 40 HKAB biogenic,in-vitro O=C(c1n[nH]c2ccccc12)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257251632 JRNMYMKVVRSBQO-FQEVSTJZSA-N 420.900 5.163 0 40 HKAB O=C(c1ccccc1)N1CCC[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 257333054 XZXDIRHXWBQXBX-NRFANRHFSA-N 424.466 5.711 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Br)cc2C(C)C)cc1OC 408619549 IXQCYWJFEBQXKS-UHFFFAOYSA-N 420.347 6.012 0 40 HKAB CCN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)c2ccccc21 409118585 OKSNZSFTAHBGHA-ITYLOYPMSA-N 405.497 6.326 0 40 HKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 409267249 MTJJEFDBJTUIDQ-UHFFFAOYSA-N 420.509 5.032 0 40 HKAB C[C@]1(c2ccc(F)cc2)NC(=O)N([C@@H](CCCc2ccccc2)c2ccccc2)C1=O 1615055989 YHZZBQBBEZNUDA-JYFHCDHNSA-N 416.496 5.357 0 40 HKAB Cc1ccc(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c(C)c1 728155 ARKCEZWOBWBMPC-SFHVURJKSA-N 413.348 6.191 0 40 HKAB CC(C)C(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCCC2 835705 NVWZQWSZOUQLFQ-UHFFFAOYSA-N 421.360 5.236 0 40 HKAB Cc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)n1-c1ccccc1 897367 KJXWOBJREZJJQH-UHFFFAOYSA-N 400.507 5.033 0 40 HKAB Cc1ccc(-c2nnn([C@@H](C)C(=O)N3c4ccccc4Sc4ccccc43)n2)cc1 932064 XJJUBHXLVOULGN-INIZCTEOSA-N 413.506 5.039 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-c2cccc(Cl)c2)o1 989803 ZULWODHOOQUSJV-UHFFFAOYSA-N 413.864 6.396 0 40 HKAB CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 1773542 YMXCZMUNEZANBY-UHFFFAOYSA-N 413.867 6.454 0 40 HKAB CC(C)COc1ccc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)cc1 2108769 DYIYCKIVRMVGDF-UHFFFAOYSA-N 415.555 5.479 0 40 HKAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCc3c(Cl)cccc3Cl)cc12 2320032 BISZWNXDFWSPID-UHFFFAOYSA-N 421.320 6.793 0 40 HKAB biogenic c1ccc(C(CCNc2ncnc3c2cnn3-c2ccccc2)c2ccccc2)cc1 2370418 TUKLULLAYDENJU-UHFFFAOYSA-N 405.505 5.450 0 40 HKAB O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1cccc2ccccc12 2630053 RWOJUYICEBXADT-UHFFFAOYSA-N 411.457 5.214 0 40 HKAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NC1CCCCCC1 2799113 HLSNLUZAKXTVFT-CQSZACIVSA-N 423.504 5.482 0 40 HKAB COc1ccc(-c2nc3c(Cl)cc(C(F)(F)F)cn3c2Br)cc1 4024760 WKNBHWGFKLTTQB-UHFFFAOYSA-N 405.601 5.445 0 40 HKAB COc1cc(CNCC[C@@H](CCC(C)C)[C@H]2CCOC(C)(C)C2)ccc1OC(C)C 4088817 SELYHBJLSFPMJC-PKTZIBPZSA-N 419.650 6.220 0 40 HKAB biogenic Cc1sc(NC(=O)c2ccccc2)c(C(=O)c2ccc(Br)cc2)c1C 4129683 OTGAWUBUOCCWOL-UHFFFAOYSA-N 414.324 5.611 0 40 HKAB O=C(Nc1nnc(Cc2c[nH]c3ccccc23)s1)c1ccc(Cl)cc1Cl 4547850 DASWGSQDVRHWJN-UHFFFAOYSA-N 403.294 5.169 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)COc4ccc(Cl)cc4)c3)oc2c1 4575675 KELNJKQHOHKFAH-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB CCCCn1c(-c2ccc(OCC)cc2)cnc1NCc1ccc(OC)c(OC)c1 4679423 LVTYPYZIKQBNGJ-UHFFFAOYSA-N 409.530 5.378 0 40 HKAB Cc1ccc(C(=O)N(Cc2cc3cc(C)cc(C)c3nc2Cl)C2CCCC2)cc1 4861295 NPUQZGAINRMXQU-UHFFFAOYSA-N 406.957 6.398 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2cccc(Cl)c2)o1 5170560 NBKCGKKKSHOFNQ-KBPBESRZSA-N 415.946 6.023 0 40 HKAB COc1ccccc1-c1cc(-c2cccs2)nc2sc3c(O)cc(O)nc3c12 5490056 OWMCOVUMJMLXFT-UHFFFAOYSA-N 406.488 5.660 0 40 HKAB Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 5748500 XHRJYFCOFPBZIZ-UHFFFAOYSA-N 400.503 6.048 0 40 HKAB Cc1cccc(C(=O)Nc2cc(OCc3cccc(F)c3)c(Cl)cc2Cl)c1 5795933 YOJAYZSMCYJKRM-UHFFFAOYSA-N 404.268 6.272 0 40 HKAB aggregator CC(C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 5912877 ATWCKZBIDKAGDE-UHFFFAOYSA-N 400.522 6.438 0 40 HKAB O=C(Nc1ccc(Oc2ncnc3sc4c(c23)CCCCC4)cc1)c1ccco1 6541408 GHMLHZYCNISGJS-UHFFFAOYSA-N 405.479 5.598 0 40 HKAB CC(C)(C)N1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S 6563324 QGUFIWNRNMCJKK-DHDCSXOGSA-N 412.363 6.253 0 40 HKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OC[C@H]1COc2ccccc2O1 6602113 ZVIXMPSGZKLATB-LJQANCHMSA-N 411.457 5.207 0 40 HKAB Cc1cc(C)n(-c2ccc(CSc3nnc(C4CC4)n3Cc3ccccc3)cc2)n1 6653366 PRPLRVSTSQMWCQ-UHFFFAOYSA-N 415.566 5.299 0 40 HKAB CCc1ccc(N(C(=O)[C@H]2COc3ccccc3O2)c2nc3ccccc3s2)cc1 6931318 KZTQPFUCCUGZMZ-OAQYLSRUSA-N 416.502 5.363 0 40 HKAB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Cl)cc2)c2ccccc2F)cc1 8475338 IOAZHMAIFZWGIG-QFIPXVFZSA-N 416.901 5.576 0 40 HKAB Cc1nn(CC(C)C)c2sc(C(=O)N(C)[C@@H](C)c3nc4ccccc4s3)cc12 8718787 OKRQJRJFYPOSNV-AWEZNQCLSA-N 412.584 5.505 0 40 HKAB CCOc1ccc(Nc2nc(C(=O)Nc3nc4ccc(C)cc4s3)cs2)cc1 9208923 GFWFOPHTPHRGIP-UHFFFAOYSA-N 410.524 5.456 0 40 HKAB Cc1ccccc1CSc1ncc(Cl)c(C(=O)Nc2ccc(Cl)cc2)n1 9306774 MCCHDCDJZRGJHL-UHFFFAOYSA-N 404.322 5.636 0 40 HKAB Cc1cccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccc2)c1 9924818 ZEPZNQGLCNHRLL-UHFFFAOYSA-N 414.534 5.282 0 40 HKAB O=C(CSc1cccc2cccnc12)Nc1ccc(Oc2ccc(Cl)cc2)cc1 9971468 NIAAMEZGBLBUKO-UHFFFAOYSA-N 420.921 6.411 0 40 HKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 10331439 JCGYILZWXCZYBZ-SFHVURJKSA-N 418.562 5.760 0 40 HKAB Cc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)c(C)c1 12586495 GWQAADUTUGDSBV-UHFFFAOYSA-N 417.534 5.886 0 40 HKAB COc1ccc(C(=O)C2CCN(C(=O)c3cc4c(s3)CCCCCC4)CC2)cc1 12739084 AUIMNRFVSVXXEP-UHFFFAOYSA-N 411.567 5.151 0 40 HKAB Cc1cc(Br)ccc1SCC(=O)Nc1ccccc1Br 12792941 ZOFKYVFEPWEFEO-UHFFFAOYSA-N 415.150 5.251 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCC(C)C)cc1 13942347 XFFSTKJUWHNTCE-HHHXNRCGSA-N 408.545 6.735 0 40 HKAB COc1ccc(-c2c(C)nn3c2N=C(c2cccc(OC)c2)C[C@@H]3c2ccccn2)cc1 14607610 ZXLNEVHBWNWYKU-XMMPIXPASA-N 424.504 5.385 0 40 HKAB Fc1ccc(COc2ccc(Br)cc2CNC2CCCCCC2)cc1 16401767 GDDSVKKNAAZCLS-UHFFFAOYSA-N 406.339 5.980 0 40 HKAB Cc1ccc(-c2nn(-c3ccc(Cl)cc3)c(-c3ccc(C)c(C)c3)c2C)cc1C 17082108 WNDVZMKORFUQSV-UHFFFAOYSA-N 400.953 7.402 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 17087625 CIXWBXUUKZYBCU-UHFFFAOYSA-N 407.341 5.556 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1nc(-c3ccc(C)c(C)c3)cs1)[C@@H]2C(=O)O 17088576 AIKRVADVIYMACM-LNKGRISISA-N 410.539 5.059 0 40 HKAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)Cc2ccc(C)cc2)n1 19525534 KEIJTGUYRPLOGX-QHCPKHFHSA-N 414.553 5.096 0 40 HKAB Cc1noc(-c2c[nH]nc2[C@@H]2CCCCN2Cc2ccc(Cl)c(Cl)c2)c1C 19557923 KZHFELJSGTUJGU-SFHVURJKSA-N 405.329 5.716 0 40 HKAB COc1ccc([C@@H]2CCCN2[C@@H](C(=O)O)c2c[nH]c3ccccc23)c2ccccc12 20732895 GOWTWRWLJRTLTD-LADGPHEKSA-N 400.478 5.293 0 40 HKAB CCn1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c(=O)c2cc(C(F)(F)F)ccc21 22237017 OANTWQIQBUQURW-LBPRGKRZSA-N 422.834 5.185 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(CN2CCc3ccccc32)cc1 22508845 VFMSFGFPVNVXHZ-UHFFFAOYSA-N 420.512 6.294 0 40 HKAB Cc1ccc(CSc2ncc(Br)c(C(=O)Nc3ccccc3)n2)cc1 27795392 DOMZCEUCTHDERR-UHFFFAOYSA-N 414.328 5.092 0 40 HKAB CC(C)Oc1cccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 30940380 ORUQBEVKUZYZPJ-UHFFFAOYSA-N 421.368 5.631 0 40 HKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc2ncsc2c1 32526206 VBGPNTNGTDCUEA-UHFFFAOYSA-N 424.529 5.421 0 40 HKAB COc1cccc(Cn2nc(C)c(NC(=O)Nc3cccc4ccccc34)c2C)c1 32610118 GBHFIDQVBDKLGH-UHFFFAOYSA-N 400.482 5.354 0 40 HKAB Cc1ccc(C)c(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1 33618875 PLTMKCURUVKKRG-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB CC[C@H](Oc1ccccc1C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 44885170 QLUPHPMSZUTSIA-SFHVURJKSA-N 412.382 5.509 0 40 HKAB Cc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1C 46022304 QPRITNVOVXMFAM-UHFFFAOYSA-N 411.596 5.598 0 40 HKAB O=C(c1ccc(COc2ccc(Br)cc2)o1)N(Cc1ccco1)C1CC1 57995962 XUDUBEFWCZNWNM-UHFFFAOYSA-N 416.271 5.019 0 40 HKAB CC(C)N(C(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1)c1ccccc1 59339590 OTTUKKCBHWDWTE-UHFFFAOYSA-N 406.486 5.190 0 40 HKAB O=C(Nc1ccc(SCc2cccnc2)cc1)c1cc(Cl)cc2cccnc12 59743514 YIMGFLCXAMLNBE-UHFFFAOYSA-N 405.910 5.828 0 40 HKAB C1=C(c2cccs2)Nc2ncnn2[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 101090281 KMGCJYFWHFNDQS-NRFANRHFSA-N 422.517 5.248 0 40 HKAB CC1(C)CC2=NC(Nc3nc4ccccc4o3)=N[C@H](c3ccc(Cl)cc3)C2=C(O)C1 102664312 YPSFCKIFPRXGGH-HXUWFJFHSA-N 420.900 6.077 0 40 HKAB COc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl 107042214 BXOWOZHTDQVZQC-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC5(SCCS5)[C@@]4(C)CC[C@@H]32)C1 118919227 GSOXJOKVDUGXML-PQQZDNAISA-N 406.657 6.057 0 40 HKAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccc(C)c(C)c1 224292023 VVFIMIKDVMFTEL-UHFFFAOYSA-N 405.494 5.460 0 40 HKAB CC1CCN(Cc2ccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)cc2)CC1 224332131 UWSNXWVTBVMONH-UHFFFAOYSA-N 408.586 5.025 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nnc(SCc2ccccc2)s1 225641828 OZXVNPZONZVDIW-VQHVLOKHSA-N 422.362 5.789 0 40 HKAB CN(CC1CCCCC1)C1CCC2(CC1)CN(C(=O)C1CC1)Cc1ccccc1O2 257256264 KKSOVRKJCZWYQN-UHFFFAOYSA-N 410.602 5.011 0 40 HKAB CCCc1sc2nc(SCc3ccccc3F)n(-c3ccccc3)c(=O)c2c1C 409116024 LCLATHQDZWEZFQ-UHFFFAOYSA-N 424.566 6.140 0 40 HKAB CCOc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1cccc(F)c1 409119033 QJXNXZVSADFCBO-UHFFFAOYSA-N 413.920 6.686 0 40 HKAB CC(C)Cn1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21 409139959 PIZMNMCCRYSKCW-NHDPSOOVSA-N 408.498 5.673 0 40 HKAB CC1=C[C@H](C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)[C@H](C(=O)O)CC1 521398265 RCIFBFXCXNXEGK-MSOLQXFVSA-N 406.507 5.267 0 40 HKAB O=C(NCc1cccc2ccccc12)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 575611307 UQAGXNXPUUHYQW-HSZRJFAPSA-N 402.519 5.101 0 40 HKAB CC(C)=CCC[C@@]1(C)Oc2ccc(-c3ccccc3C(=O)O)cc2[C@@H]2OCCC[C@H]21 585265755 PEDSDAYVRWFGDT-KTIWRFAQSA-N 406.522 6.417 0 40 HKAB CC(C)Cc1ccc(C[C@@]2(C)CCc3ccc(-c4cccc(C(=O)O)c4)cc3O2)cc1 585265952 ZJIBWESHCABOAE-MUUNZHRXSA-N 414.545 6.577 0 40 HKAB Cc1c(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)[nH]c2ccc(F)cc12 2037845625 FESYKVQNNPCATD-OAQYLSRUSA-N 421.447 5.311 0 40 HKAB O=S1(=O)c2ccccc2N[C@H](c2ccccc2C(F)(F)F)N1Cc1ccccc1 638166 KIRSSMAHGLGJMW-FQEVSTJZSA-N 418.440 5.021 0 40 HKAB COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2cc(Br)c2ccccc32)c1 709519 APDCDGYFVBROFL-HNNXBMFYSA-N 412.283 5.094 0 40 HKAB Clc1ccc(-c2nnc(-c3ccc(Br)cc3)c(N3CCCC3)n2)cc1 2050023 FZESRZCVMDPECR-UHFFFAOYSA-N 415.722 5.222 0 40 HKAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc3c(c(-c4cccs4)c12)CCC3 2364761 BPRKTZLEEPWVCA-UHFFFAOYSA-N 410.951 5.980 0 40 HKAB CC1(C)Cc2c(sc3nc(SCc4ccccc4)nc(N4CCCC4)c23)CO1 2394507 NIMCTGAVIGYPDS-UHFFFAOYSA-N 411.596 5.435 0 40 HKAB Clc1cccc(Cl)c1CSc1nnc(-c2ccccc2)n1-c1ccccc1 2518447 GGOXQOQWIYGGCR-UHFFFAOYSA-N 412.345 6.533 0 40 HKAB CCc1cccc(CC)c1NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 3216401 VJEZBBPOOYAINV-UHFFFAOYSA-N 401.506 5.203 0 40 HKAB O=C(Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)Nc1ccccc1F 3434473 BZOJCPZCSAQWLK-UHFFFAOYSA-N 417.362 5.741 0 40 HKAB CC(C)CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 4438463 XNAKRDYDNIPFLE-UHFFFAOYSA-N 412.624 5.718 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OC)c2OC)N3)C1 4554609 OCGIEMJCBZQPOQ-ZUOKHONESA-N 414.571 5.735 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1 4603903 GHFIOMSBSRQMOW-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB Fc1ccc(C2=NN(c3c(F)c(F)cc(F)c3F)[C@@H](c3ccc(F)cc3)C2)cc1 4614048 DFEXADISNOGRLS-GOSISDBHSA-N 406.329 5.877 0 40 HKAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 4713917 KPIZKJSBWWEHFF-JXFKEZNVSA-N 423.538 5.090 0 40 HKAB O=C(Nc1ccccc1F)N(CCc1ccccc1)CCc1nc2ccccc2[nH]1 4861865 NYFYSKYESDQVIN-UHFFFAOYSA-N 402.473 5.021 0 40 HKAB Cc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2cccc(C)c2C)cc1 4937783 XUOZOZYKVVFZAC-IZHYLOQSSA-N 403.503 5.423 0 40 HKAB COc1cccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(OC)cc23)c1 4970287 PUUKMLXQDJXDJY-UHFFFAOYSA-N 409.489 5.875 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nnc(NCc2ccccc2)s1 5786868 LDFARCFUSMTUHX-KBAYOESNSA-N 419.616 5.246 0 40 HKAB Cc1c(Cl)cccc1NCC(=O)n1nc(-c2ccccc2)cc1-c1ccccc1 6184710 LZSKMSXPJYFGGG-UHFFFAOYSA-N 401.897 5.931 0 40 HKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccnc4Cl)cc3n2)cc1 6264768 CHZCBWVHXOSZHD-UHFFFAOYSA-N 419.916 5.372 0 40 HKAB CCCn1c(C)cc(C(=O)CSc2nnc([C@@H](C)Oc3ccc(F)cc3)o2)c1C 6374645 OOYCZYVDWVAEPG-OAHLLOKOSA-N 417.506 5.152 0 40 HKAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccccc1-c1ccccc1 6375985 LTERCBVWJOMXMV-UHFFFAOYSA-N 412.489 5.340 0 40 HKAB CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c1 6387850 ICKOSABKHNWMHO-CQSZACIVSA-N 422.550 5.909 0 40 HKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccc(C)c4)cc3n2)cc1 6636000 GPRYPMUQRQAMFA-UHFFFAOYSA-N 418.928 5.977 0 40 HKAB CCOc1cc(C(=O)Nc2cccc(Oc3ccccc3)c2)ccc1OCC(C)C 8230059 YTCNYMMOCNKSNJ-UHFFFAOYSA-N 405.494 6.165 0 40 HKAB COc1cc(CNCc2ccc(F)cc2)ccc1OCc1c(F)cccc1Cl 8471358 UBEHFABXWHBMSC-UHFFFAOYSA-N 403.856 5.496 0 40 HKAB CCOC(=O)c1sc2nc([C@@H](C)Sc3ccc4ccccc4c3)[nH]c(=O)c2c1C 8924550 YGHCHWROWIVQCO-CYBMUJFWSA-N 424.547 5.476 0 40 HKAB O=C(c1ccc(OCc2cscn2)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 9256465 DKQGLZZPGHXVKH-LJQANCHMSA-N 421.547 5.309 0 40 HKAB CC(C)(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4cccs4)ccc3o2)cc1 9660157 AVPRRQRLWSLIPX-UHFFFAOYSA-N 403.503 6.071 0 40 HKAB biogenic O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1cc(Br)cs1 10272154 PTFYWYDDHDKANN-UHFFFAOYSA-N 413.749 5.464 0 40 HKAB COc1cc2c(cc1NC(=O)Cc1cc(Cl)c3c(c1)OCCO3)oc1ccccc12 10409877 JKNLEZYIWDUJKQ-UHFFFAOYSA-N 423.852 5.200 0 40 HKAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1nc2ccc(Cl)cc2s1 11504273 YAQCMIAHIZLLSO-UHFFFAOYSA-N 419.840 5.454 0 40 HKAB COc1ccc(NC(=O)[C@@H](Oc2ccc(C(F)(F)F)cc2)c2ccccc2)cc1 12623772 JFQCIDYLOBVIIE-FQEVSTJZSA-N 401.384 5.473 0 40 HKAB CCOc1c(Br)cc(C(=O)Nc2ccc3nc(C)sc3c2)cc1OC 13141456 BXBKCTIDYPCPPC-UHFFFAOYSA-N 421.316 5.027 0 40 HKAB Cc1ccccc1CSc1ncc(Cl)c(C(=O)Nc2cccc(Cl)c2)n1 13624530 JMIKWTDVUJKVOJ-UHFFFAOYSA-N 404.322 5.636 0 40 HKAB CC1(C)Cc2c(cnn2Cc2cccc(Cl)c2)[C@H](NC(=O)Cc2cccs2)C1 13992450 QCZFYNYFEZHSSK-LJQANCHMSA-N 413.974 5.019 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)cc2)c1 14404807 HDUWJDTWOWYVFH-UHFFFAOYSA-N 424.504 5.302 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)CSc3ccc(Cl)cc3)n2)c1 14791371 UAKJQZPDTIKDPT-UHFFFAOYSA-N 420.943 5.212 0 40 HKAB COc1ccccc1OCC(=O)N(C)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 15670871 RMSAEMKDHBFJQK-SANMLTNESA-N 414.505 5.112 0 40 HKAB Fc1ccc(COc2ccc3ccccc3c2CNCc2ccc3c(c2)OCO3)cc1 16525985 ZDXJWXAORSXUBU-UHFFFAOYSA-N 415.464 5.576 0 40 HKAB COc1ccc(-n2nc(/C=C/c3ccc(C(F)(F)F)cc3)c3ccccc(=O)c32)cc1 19909741 VJWGXBIBQMEHBL-OVCLIPMQSA-N 422.406 5.584 0 40 HKAB O=c1c2ccccc2nc(SCc2ncc(-c3cccc(Cl)c3)o2)n1C1CC1 28148927 YAKGDJVCHRTXGB-UHFFFAOYSA-N 409.898 5.332 0 40 HKAB Cc1cc(C)c2c(-n3cccc3)c(-c3cc(=O)oc4cc5c(cc34)CCC5)sc2n1 28541916 XSPIZRWYBGQBDA-UHFFFAOYSA-N 412.514 5.966 0 40 HKAB biogenic O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccc(Cl)cc1Cl 28831400 JLJYHFWXCQWCJY-UHFFFAOYSA-N 413.717 5.163 0 40 HKAB Cc1nccn1-c1ccc(CNC(=O)CSCc2c(Cl)cccc2Cl)cc1 30754332 QPKJJNUEFNMUFM-UHFFFAOYSA-N 420.365 5.037 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CCSc3ccccc3)c2)cc1 30754883 HQRMSQKLBBZHRB-UHFFFAOYSA-N 417.574 6.336 0 40 HKAB Cc1ccc(-c2nc(CSCCCC(=O)Nc3c(C)cccc3C)cs2)cc1 31411868 CSGJCKXAZOGLLR-UHFFFAOYSA-N 410.608 6.387 0 40 HKAB CC1(C)C[C@@H](N(CC[C@@H](c2ccco2)C(C)(C)C)C(=O)c2cccs2)CCO1 32102099 AUESBSUVHLLSKA-ROUUACIJSA-N 403.588 5.961 0 40 HKAB CCc1ccc(-c2ccc(SCc3nc(-c4ccc(Cl)cc4)no3)nn2)cc1 33021986 NMEYMBDDNAIQSB-UHFFFAOYSA-N 408.914 5.702 0 40 HKAB COc1ccc([C@H]2Sc3nnc(-c4cccs4)n3N2Cc2ccc(F)cc2)cc1 36617834 DIVZMTXRGFSOMF-HXUWFJFHSA-N 424.526 5.097 0 40 HKAB CC(C)N(Cc1ccccn1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 48300433 DRIKHQLVWCJXFS-UHFFFAOYSA-N 413.525 5.125 0 40 HKAB CC(=O)Nc1cccc(-n2c(S[C@@H]3CCCc4ccccc43)nnc2C2CC2)c1 48345199 MBSJONGFPYGFTM-OAQYLSRUSA-N 404.539 5.273 0 40 HKAB O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Cl)cc1Cl 59475062 WYTNFTUBEXQACX-UHFFFAOYSA-N 410.260 5.963 0 40 HKAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(Sc2ccccc2)nc1 72217631 IVYWXCDMDZHDFC-JOCHJYFZSA-N 404.535 6.097 0 40 HKAB CN(C)C(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cn(C)c3ccccc23)C1 72352288 RRDIKOLNFVXUKF-KRWDZBQOSA-N 417.578 5.084 0 40 HKAB c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCCN3Cc3ccccn3)n2)cc1 72391345 WLFLFKKVGPKNFM-DEOSSOPVSA-N 422.536 5.404 0 40 HKAB CCC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1cccc(C)c1C 82086489 MGMBQRLLFVMHSX-QHCPKHFHSA-N 419.569 5.586 0 40 HKAB CCc1nc(Cc2nc3cc(-c4ccccc4Cl)sc3c(=O)[nH]2)sc1C 95364786 BHTIUCPCLJURLR-UHFFFAOYSA-N 401.944 5.223 0 40 HKAB CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3Cc2ccccc2)cc1 101168015 MPWDRBWXUSGTIY-QHCPKHFHSA-N 408.505 5.263 0 40 HKAB O=C(NCc1ccncc1)c1ccc2c(c1)[C@@H]1[C@H]([C@@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 101283090 JSCCSZCZIMJDCI-NYJCFKENSA-N 409.533 5.308 0 40 HKAB CCOc1ccc([C@@H]2C=C(c3ccc(F)cc3)Nc3nc(-c4ccccc4)nn32)cc1 101915751 VFQXOTSQSZFLHF-QHCPKHFHSA-N 412.468 5.539 0 40 HKAB Fc1ccc(NCc2ccc(OCc3ccccc3)c(Br)c2)cc1Cl 106979531 SUCLEGVCLGADLF-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB COc1cc(CNc2ccc(Br)cc2)ccc1OCc1ccccc1F 107040997 GSDLEQGQQMFEKH-UHFFFAOYSA-N 416.290 5.788 0 40 HKAB COc1ccc(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 223423610 BFLKOZCVEFRYPF-OQKWZONESA-N 407.897 5.084 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1 224198595 VXEZKNSLHFFMIX-PKTZIBPZSA-N 414.534 5.010 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1C 224275049 NMJFZQOAPKIRIA-JWQCQUIFSA-N 424.573 5.666 0 40 HKAB CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1cc(C)cc(C)c1 224529490 XKJYXNHLVAZZLM-UHFFFAOYSA-N 407.554 5.901 0 40 HKAB O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 224537145 LMLSPFCSUBNELE-UHFFFAOYSA-N 419.956 5.177 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224885675 GJESYAUUGATDDJ-UHFFFAOYSA-N 419.706 5.637 0 40 HKAB CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(F)cc1 224916941 VRVMMHDOHZIPOD-UHFFFAOYSA-N 413.558 5.509 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)c1 225156335 VTMQQAALYAHRPM-JOCHJYFZSA-N 401.550 6.115 0 40 HKAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225450576 GRTPECMGKKVPFF-YADHBBJMSA-N 422.613 5.117 0 40 HKAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccccc1OCc1ccccc1 225611793 JAELZGSBBSOVQM-UHFFFAOYSA-N 421.909 5.690 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CCOCC2)cc1 225774372 RGPZPYHUGRMRRY-UHFFFAOYSA-N 417.549 5.870 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c2cccnc12 225874648 ZSVPZAGYTZQKND-UHFFFAOYSA-N 422.500 5.240 0 40 HKAB CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccc(Br)cc3)oc2c1 226283924 DMTUEGLJAODZRP-UHFFFAOYSA-N 413.193 5.173 0 40 HKAB NC(=O)CCc1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 226342404 SMAZTJVZMZOCLH-UHFFFAOYSA-N 418.718 5.253 0 40 HKAB O=C1[C@H](c2ccccc2)C(=S)N2[C@@H]1Cc1c([nH]c3ccccc13)[C@H]2c1ccccc1 247710217 IVDBOCQRNBHGAG-AOHZBQACSA-N 408.526 5.178 0 40 HKAB O=C(N1CCC[C@@H]1c1ccnc(-c2ccccc2)n1)C1(c2ccccc2F)CCCC1 257199894 ABEFWUNNSTXSES-HSZRJFAPSA-N 415.512 5.458 0 40 HKAB CCCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1OC 408556739 KFQUSHAGTWHHLI-UHFFFAOYSA-N 419.146 6.165 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccc(C)cc2C)cc1 408698895 SRUBIPNWIYABRI-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB O=C(Nc1ccc(F)cc1)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1 408724104 FKCRHRKHWBJGNF-UHFFFAOYSA-N 407.448 6.084 0 40 HKAB Cc1ccc(SCCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 409165947 BJBKFYAGFOLQEV-UHFFFAOYSA-N 418.562 5.088 0 40 HKAB CC(C)(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)no1 526052230 GVRFXXCCDJWHEN-MRXNPFEDSA-N 404.297 5.561 0 40 HKAB Cc1ccc(COc2ccc(Br)cc2-c2nc(O)c3ccccc3n2)cc1 575411018 XQDWODKCODZWCB-UHFFFAOYSA-N 421.294 5.652 0 40 HKAB COc1cccc(F)c1-c1ccc2c(c1)CNCCCCCCCN2C(=O)C(C)C 643576036 FFQIOSUBDLJTOW-UHFFFAOYSA-N 412.549 5.544 0 40 HKAB O=C(c1cc2cccc(F)c2[nH]1)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 2037846380 OTXOJYSGDMSYBL-FQEVSTJZSA-N 407.420 5.002 0 40 HKAB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@H]3C2=O)cc1Cl 854641 ZEMWGIWFXXRHLC-FGEXJBCWSA-N 413.904 5.219 0 40 HKAB Cc1nnc2c3c4c(sc3ncn12)[C@@H](c1ccccc1)S[C@@H](c1ccccc1)C4 2349351 ZYIZZRZMXVJXGX-UYAOXDASSA-N 414.559 5.767 0 40 HKAB Cc1nn(C2CCCC2)c2c1[C@@H](c1ccc(Br)cc1)SCC(O)=N2 2449550 XDFFDYMDOWUOSM-QGZVFWFLSA-N 406.349 5.493 0 40 HKAB Cc1ccc(Nc2nc(CSc3nnc(C)n3Cc3ccccc3)cs2)cc1 2625813 QABLPPIGWXTGFX-UHFFFAOYSA-N 407.568 5.436 0 40 HKAB O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccccc1OC(F)F 3221745 YPDPZXSBIMSMBK-UHFFFAOYSA-N 400.859 5.282 0 40 HKAB O=C(N1CCN(c2ccccc2Cl)CC1)C1(c2ccc(Cl)cc2)CCCC1 3236244 LFTSTBQUHMYTGL-UHFFFAOYSA-N 403.353 5.154 0 40 HKAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2oc3ccc(CCC(C)=O)cc3c2C)cc1 3302476 HPPOBTPHWSMBNS-KRWDZBQOSA-N 421.493 5.009 0 40 HKAB Cc1ccc(C(=O)[C@H](OC(=O)c2ccc(Br)cc2)c2ccc(C)cc2)cc1 3314618 PCWHCNGCWRFHIB-JOCHJYFZSA-N 423.306 5.847 0 40 HKAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(Cc2ccccc2)CC1 4332915 NXWCQYTUFCVKDH-UHFFFAOYSA-N 417.880 5.002 0 40 HKAB C[C@@H](c1nnc(SCc2cccc3ccccc23)n1-c1ccc(F)cc1)N(C)C 4490744 YSVPGLPQKVMZSD-INIZCTEOSA-N 406.530 5.475 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)CCSc3ccc(C)cc3)n2)c1 4496518 FEPZNMXUXKKTEG-UHFFFAOYSA-N 414.552 5.257 0 40 HKAB CCCC[C@H](CC)COC(=O)c1ccc(C(=O)OCCCCCCCC(C)C)cc1 4683304 URUPPBNOHCOUEQ-QFIPXVFZSA-N 418.618 7.213 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3C=C(C(=O)O)[C@@](C)(CCC(=O)O)[C@@H]3CC[C@@]21C 5029300 YGECWQPTUZSNGW-ZHZDFGEHSA-N 418.618 6.403 0 40 HKAB O=c1oc2c(Cl)cc(Cl)cc2cc1-c1csc(Nc2cccc(F)c2)n1 5125666 FSEKHGJXSGDLTC-UHFFFAOYSA-N 407.253 6.106 0 40 HKAB Cc1cccc(NC(=O)CSc2cc(C)nc3c(-c4ccccc4)c(C)nn23)c1 5556115 FAVPYJKICBMEKB-UHFFFAOYSA-N 402.523 5.052 0 40 HKAB O=C(N/C=C(\c1ccccc1)[S@](=O)Cc1ccccc1)Nc1ccccc1Cl 6575263 OXHRPTPKWHJDAN-HACONHBVSA-N 410.926 5.409 0 40 HKAB O=C(Cc1c(F)cccc1Cl)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 6604571 MFVGEJOKNBPQIR-QGZVFWFLSA-N 412.917 5.513 0 40 HKAB COc1ccc(Nc2ccc3c(=O)c(-c4ccccc4OC)coc3c2)c(OC)c1 6662499 XYFIEHVQOOIZTL-UHFFFAOYSA-N 403.434 5.229 0 40 HKAB biogenic CC[C@H](C)n1c(S)nnc1-c1ccc(COc2ccc(Br)cc2)o1 8481606 CMVCVDJJRYSIQD-NSHDSACASA-N 408.321 5.139 0 40 HKAB C[C@H](c1ccc(-n2cnc3ccccc32)cc1)N(C)C(=O)c1ccc(Br)o1 8709235 MOOMFWBYTFBYLH-CQSZACIVSA-N 424.298 5.214 0 40 HKAB COc1cc2c(cc1NS(=O)(=O)c1cc(Cl)ccc1OC)oc1ccccc12 8782225 XAQGWWVWNVSMKL-UHFFFAOYSA-N 417.870 5.057 0 40 HKAB CCc1ccc(-n2c(C)c(C(=O)OCCOC)c3cc(O)c4ccccc4c32)cc1 8782986 IUMNYWCESZBOBH-UHFFFAOYSA-N 403.478 5.163 0 40 HKAB biogenic,in-vitro Cc1c(CC(=O)Nc2nccs2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 8990152 OMCHIOHRVYKUHC-UHFFFAOYSA-N 410.495 5.091 0 40 HKAB COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3cccc(Cl)c3)cc2O)cc1 8996172 YVDFJDGYWUXLMU-UHFFFAOYSA-N 422.868 5.816 0 40 HKAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccc(OC(C)C)cc3)ccc1O2 9135336 UNFIEBQCSVKIFP-UHFFFAOYSA-N 416.477 5.417 0 40 HKAB CCOc1cc(-c2ccc(O)cc2)c/c(=N\c2ccc(OC)cc2)c2c(C)oc(C)c12 12658924 LNADFBZTKWOQKO-SLEBQGDGSA-N 415.489 6.062 0 40 HKAB biogenic C[C@H](NC(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1)c1ccc(F)c(F)c1 12783209 RQWHGWZNAKGRTL-KRWDZBQOSA-N 417.459 5.368 0 40 HKAB O=C(CN(Cc1c(F)cccc1Cl)C1CC1)Nc1c(Cl)cccc1Cl 12881796 CIJBQBGZVJSMGL-UHFFFAOYSA-N 401.696 5.389 0 40 HKAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 13284032 OLXGXFYXBSHBIK-UHFFFAOYSA-N 421.444 5.021 0 40 HKAB O=C1C[C@H](c2cc(F)ccc2F)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15082790 LAOXXGOFERTBNY-CYBMUJFWSA-N 403.381 5.005 0 40 HKAB O=C(Nc1ccc(F)cc1)N[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 15778727 TVJCIFMFXARVGY-LJQANCHMSA-N 422.847 5.440 0 40 HKAB Cc1ccc(-c2cs/c(=N\c3ccc(C(=O)O)cc3)n2Cc2ccccc2)cc1 16711458 LTPUBPMAYKSQKY-IZHYLOQSSA-N 400.503 5.504 0 40 HKAB O=C(Oc1cccc(/C=C/[n+]2ccccc2)c1OC(=O)c1ccccc1)c1ccccc1 17014059 RHTQFTMDELZSNC-LVZFUZTISA-N 422.460 5.040 0 40 HKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(-c2ccccc2)cc1 17093032 YZNPERLBLOXNLT-UHFFFAOYSA-N 422.463 5.787 0 40 HKAB CC(C)(C)[C@@H]1C/C(=C\c2ccc(Cl)cc2)c2nc3ccccc3c(C(=O)O)c2C1 19229882 UGFOTXAVNSQNBM-NWNNTGRJSA-N 405.925 6.736 0 40 HKAB COc1ccc([C@H](C)NC(=O)c2ccccc2SCc2ccccc2)cc1OC 20105525 BXVIVQJBYSQMPG-KRWDZBQOSA-N 407.535 5.487 0 40 HKAB Clc1ccccc1-c1nnc([C@@H](Nc2ccc3c(c2)OCCO3)c2ccccc2)o1 20509709 ZPAFXUZWRHSTFP-NRFANRHFSA-N 419.868 5.363 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccc2nn(-c3ccc(C(C)C)cc3)nc2c1 20610529 XRBNHBYSEOEUNV-UHFFFAOYSA-N 420.900 5.458 0 40 HKAB Cc1ccc2c(C)c(C(=O)Nc3nonc3-c3ccc(OC(C)C)cc3)oc2c1C 27663245 UBPSIZFZELZPPP-UHFFFAOYSA-N 405.454 5.448 0 40 HKAB Cc1ccc([C@H](NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 30855201 HKHFDGCMYFDVIO-OAQYLSRUSA-N 420.361 5.511 0 40 HKAB CCCCc1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)cc1 35040576 PVVLALHPZJHUCE-LDADJPATSA-N 422.402 6.742 0 40 HKAB Cc1cc(-c2oc(/C=C/C(=O)O)cc2Br)c(C)cc1Br 45957921 OWAOWHPUDKCJKS-ONEGZZNKSA-N 400.066 5.186 0 40 HKAB Clc1cccc(-n2cnnc2SCc2ccc(OCc3ccccn3)cc2)c1 60059186 KWJIXWMXBHTGMA-UHFFFAOYSA-N 408.914 5.187 0 40 HKAB Cc1cc(Br)oc1C(=O)Nc1c(-c2ccc(F)cc2)nc2sccn12 65474925 VSIBEFXCUVMWEG-UHFFFAOYSA-N 420.263 5.118 0 40 HKAB COc1ccc([C@@H](C)Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1 67288544 YCESZDZLUFFJIQ-MRXNPFEDSA-N 407.489 5.182 0 40 HKAB Clc1ccc(C2(c3nnc(Cc4cccc5ccccc45)o3)CCOCC2)cc1 71889890 PMYJZPUJWXBEBH-UHFFFAOYSA-N 404.897 5.564 0 40 HKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1Cc1ccccc1)C1CCC1 72215528 QGRMGSCLAUZESC-QHCPKHFHSA-N 421.585 6.103 0 40 HKAB C[C@H]1CCCCN1c1cc(NC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)cc1N 72229425 PJIZVKCXVWUFQH-NSHDSACASA-N 412.748 5.860 0 40 HKAB O=C(Nc1nnc(-c2ccccc2Cl)s1)c1[nH]c2ccc(F)cc2c1Cl 95954715 PMVYUVPGIKDSQT-UHFFFAOYSA-N 407.257 5.385 0 40 HKAB Cc1cccc(NC(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)c1C 96037743 AJLUALZLAFHXOY-UHFFFAOYSA-N 422.532 5.891 0 40 HKAB COc1cc(-c2coc3ccc(OC/C=C/c4ccccc4)cc23)cc(OC)c1OC 96116513 QYGQSTQFOXUQCQ-JXMROGBWSA-N 416.473 6.218 0 40 HKAB biogenic COc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(C)cc2)cc1 106974515 JYPHKNUORYYNSG-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@H]2N(c2ccccc2)c2ccccc2)[C@@H]1C 199406216 AANXUIWCACPJNG-UXUXNBJMSA-N 414.593 6.688 0 40 HKAB Cc1cccc(CN2C(=O)S/C(=C/c3ccccc3OCc3ccccc3)C2=O)c1 214594884 PNZUDRFPLMBEFH-HZHRSRAPSA-N 415.514 5.811 0 40 HKAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1C 223461377 SYSUJVAREUZROO-NRFANRHFSA-N 419.590 6.274 0 40 HKAB CCOc1ccc(C(=O)NCc2ccccc2)cc1COc1ccc(Cl)c(C)c1 224540462 HIXVRXNFEVOOAS-UHFFFAOYSA-N 409.913 5.556 0 40 HKAB C[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 225290587 IMKRZASFVKWRDV-CNGOPUHISA-N 416.521 5.225 0 40 HKAB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 225349729 VSQLWFGURLXKFR-GOTSBHOMSA-N 420.582 5.428 0 40 HKAB CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)CCc1ccc(Cl)cc1Cl 225381407 HEEFEDVCTUHDJI-UHFFFAOYSA-N 424.715 5.288 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2ccc(N3CCC(C)CC3)c(N)c2)cc1Cl 226268754 WWDFUJLVRMUMCC-UHFFFAOYSA-N 408.329 5.073 0 40 HKAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Oc2ccc(Cc3ccccc3)cc2)CC1=O 408673098 WLBVPRZVINGKHO-FQEVSTJZSA-N 419.908 5.198 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2cccc(Cl)c2)c1 408699960 XUGWSQUJSVJPCS-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB COc1ccc2ccccc2c1/C=C1\S[C](Nc2ccc(Cl)cc2C)NC1=O 408812963 QAAWXHGBJHNIPK-UHFFFAOYSA-N 409.918 5.573 0 40 HKAB CCCc1sc(NC(=O)c2ccccc2C)nc1-c1ccc(Cl)cc1Cl 408835018 XSCBHHWHLJXXNF-UHFFFAOYSA-N 405.350 6.630 0 40 HKAB Cc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 409104866 KJBIJIJOKWBWJM-UHFFFAOYSA-N 419.981 6.621 0 40 HKAB Cc1cccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 409121732 ZRVYXUIAZAMNMO-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccccc1 409206043 LXQBMNOSAKIUPL-BZZOAKBMSA-N 404.922 5.815 0 40 HKAB COc1ccccc1[C@H]1N(Cc2ccccc2)c2ccccc2C(=O)N1c1ccccc1 409335014 YNUGJZRYYFTSIP-MHZLTWQESA-N 420.512 6.061 0 40 HKAB CC(C)c1ccc2c(N)c(C(=O)N3c4ccccc4Sc4ccccc43)sc2n1 688340 BXNANIJLGQHPOA-UHFFFAOYSA-N 417.559 6.445 0 40 HKAB CN(C)C(=O)N[C@@H](Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl 825907 DTNBUYWXXORPMR-SECBINFHSA-N 413.947 5.026 0 40 HKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C=C/c1cccs1 939364 FSRIAERDDRQPFH-MDZDMXLPSA-N 401.484 5.444 0 40 HKAB Cc1ccc2c(c1)sc1nc(-c3cc4cc(Br)ccc4oc3=O)cn12 970921 KTHFNSAFPWHTOY-UHFFFAOYSA-N 411.280 5.393 0 40 HKAB CC(C)(C)c1ccc(NC(=O)CSc2nnc3scc(-c4ccccc4)n23)cc1 1100443 XYVCBJCWCZMBGD-UHFFFAOYSA-N 422.579 5.486 0 40 HKAB CCOc1ccc2[nH]c(=O)c(-c3nc4ccc(C)cn4c3NCc3ccccc3)cc2c1 1330427 CTDMYAXFOAVPON-UHFFFAOYSA-N 424.504 5.162 0 40 HKAB Cc1nn2c(-c3ccc(-c4ccc(Cl)cc4Cl)o3)ccnc2c1Br 1386150 NMOZFTPADKCYFH-UHFFFAOYSA-N 423.097 6.034 0 40 HKAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(Oc2ccccc2)cc1)CO3 2120646 JRVCGOMFOHBFEG-UHFFFAOYSA-N 413.473 5.813 0 40 HKAB biogenic O=C(CCc1ccccc1)Nc1ccc2nc(SCc3ccccc3)sc2c1 2233987 MHXFOUBFDZQTST-UHFFFAOYSA-N 404.560 6.160 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 2339175 PXRXYAZWZLXZKM-UHFFFAOYSA-N 424.287 6.959 0 40 HKAB Cc1ccc(COc2ccc3c(=O)c(-c4ccc(Br)cc4)coc3c2)cc1 2416455 IIOWXPSHXIPPEQ-UHFFFAOYSA-N 421.290 6.110 0 40 HKAB biogenic Cc1ccc(-c2c(NC(=O)c3ccccc3)n(-c3ccc(C)c(C)c3)nc(C)c2=O)cc1 2439041 FZVIHVJHFLIVMP-UHFFFAOYSA-N 423.516 5.385 0 40 HKAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1nnc(SCc2ccccc2)s1 2653822 SXYAAAWHDXMZIH-UHFFFAOYSA-N 409.458 5.030 0 40 HKAB CC[C@@H]1CCc2c(sc(NC(=O)[C@@H](C)Oc3cccc(Cl)c3)c2C(=O)OC)C1 2741496 HRWAIWNOBGIIAH-CHWSQXEVSA-N 421.946 5.109 0 40 HKAB O=C(Nc1ccc(F)c(F)c1F)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3265630 LXZDBVGVXFOSLY-UHFFFAOYSA-N 418.827 6.286 0 40 HKAB O=C(COc1ccc(Cl)cc1)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 3655385 PLQRTOSJZQMWFY-UHFFFAOYSA-N 423.827 5.474 0 40 HKAB COc1cc([C@H]2OC[C@@H]3[C@@H](C)C=C(C)[C@H]2[C@@H]3C)ccc1OCc1ccc(C(=O)O)cc1 4111165 MWCFKMDOPSZIPZ-WVBBTRLJSA-N 422.521 5.508 0 40 HKAB Cn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccc(C(C)(C)C)cc1 4392022 NLKREKDQJVKQFV-UHFFFAOYSA-N 415.562 5.908 0 40 HKAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)/C=C/c2ccccc2)c2ccccc21 4535263 RKNQSFIXDXLHEM-FFWIPWSWSA-N 410.517 5.619 0 40 HKAB O=C(NCCCn1c2ccccc2c2ccccc21)NC12CC3CC(CC(C3)C1)C2 4698381 PXJTWJJYHIJZFH-UHFFFAOYSA-N 401.554 5.453 0 40 HKAB O=S(=O)(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc(Cl)c1 4836010 VXGPNJSFHLLPNQ-UHFFFAOYSA-N 401.959 5.609 0 40 HKAB COc1ccc(C)cc1CSc1nnc(COc2ccccc2Cl)n1C1CC1 5319758 YNNPBAZDZBUJAB-UHFFFAOYSA-N 415.946 5.455 0 40 HKAB CC(C)=CCC[C@H](C)CCOC(=O)CCC(=O)Nc1ccc(Br)cc1 5721647 FHGHBFUCSUQHNZ-INIZCTEOSA-N 410.352 5.484 0 40 HKAB COc1cccc(C2=Nn3c(nnc3-c3sc4ccccc4c3Cl)SC2)c1 6174710 WWKSUGSCHZMREW-UHFFFAOYSA-N 412.927 5.180 0 40 HKAB O=C1N/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1ccc(Cl)cc1 6241898 LHCHPWXNDSYWSZ-WOJGMQOQSA-N 413.260 5.346 0 40 HKAB C[C@@H](NCc1ccc(OCc2ccccc2Cl)cc1)C12CC3CC(CC(C3)C1)C2 6267293 MMGWTERXRCJXRR-VIAIDJOKSA-N 410.001 6.614 0 40 HKAB COc1ccc2oc(-c3cccc(NC(=O)c4ccc(OCC(C)C)cc4)c3)nc2c1 6563771 PFSCGMNSHSOEGA-UHFFFAOYSA-N 416.477 5.791 0 40 HKAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N(CC)CC)cc2C)cc1 6629116 PFLPETYLKDWCOD-UHFFFAOYSA-N 413.587 5.147 0 40 HKAB COc1ccc(OC)c2c1[C@@H](c1ccc(Br)cc1)O[C@H]1CCCC[C@H]21 6668311 XUCXXQOFQMYVJS-CKJXQJPGSA-N 403.316 5.612 0 40 HKAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(-c2cc(Cl)ccc2Cl)o1 6884127 GSOZMFPPRSWYPL-UHFFFAOYSA-N 407.253 6.255 0 40 HKAB COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1C)oc1ccccc12 6886862 VGVXZKLYAASDGX-OAHLLOKOSA-N 403.434 5.087 0 40 HKAB Cc1ccc(NCc2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)c(C)c1 6964962 RPJHJWBHXXHKBM-UHFFFAOYSA-N 408.929 5.895 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCCSc3ccccc32)o1 7218205 LGMTYNGAWQDTMJ-UHFFFAOYSA-N 404.495 5.202 0 40 HKAB COc1ccccc1NC(=O)c1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1 7525751 IWHYQJXLONXEDF-UHFFFAOYSA-N 414.505 5.008 0 40 HKAB CC(C)(C)OC(=O)N1CCC(c2nnc(SCc3ccc(Cl)cc3)o2)CC1 7997171 STPNRTJLPXOHQM-UHFFFAOYSA-N 409.939 5.130 0 40 HKAB CC(C)Sc1ccccc1C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 8479367 OPLRRMSGHXCMTA-SFHVURJKSA-N 418.562 5.930 0 40 HKAB Cc1nc(-c2cccc(NC(=O)c3ccccc3SCc3cccs3)c2)cs1 8724409 BJXDBPUJULNDRA-UHFFFAOYSA-N 422.600 6.725 0 40 HKAB CC(C)COc1cccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1 8903715 GGHXSLPVGMDLMY-UHFFFAOYSA-N 412.511 5.149 0 40 HKAB Cc1c(-c2ccccc2)sc2ncn(Cc3cc(Cl)cc4c3OCOC4)c(=O)c12 9486952 YGBBPIBMXPEBMQ-UHFFFAOYSA-N 424.909 5.002 0 40 HKAB O=C(COC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cccc2ccccc12 9704496 RLUHACKBRAAQMZ-UHFFFAOYSA-N 418.452 5.490 0 40 HKAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(Cl)ccc3Cl)ccc21 10972231 NZUFIXWCMDLYFC-UHFFFAOYSA-N 407.297 5.017 0 40 HKAB CCc1cc2c(=O)c(-c3nc(C)cs3)c(N)oc2cc1OCc1ccc(C)cc1 11867291 KNWJOUKQAAKKEU-UHFFFAOYSA-N 406.507 5.257 0 40 HKAB COc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3ccc(F)cc3)C[C@@H]21 12196716 ANUNKTQPZZSPEX-NZQKXSOJSA-N 408.860 5.730 0 40 HKAB Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(-c2ccccc2)sc1C(=O)O 12601077 IARVHTPUINCLRS-UHFFFAOYSA-N 404.447 5.329 0 40 HKAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccccc1Oc1ccccc1 15585071 VARIVSYBJVBHOP-UHFFFAOYSA-N 403.413 5.239 0 40 HKAB COc1ccccc1-c1nn(-c2ccc(C)cc2)c(-c2ccccc2OC)c1Cl 17083070 UDJINVSSTPGCMY-UHFFFAOYSA-N 404.897 6.185 0 40 HKAB CCOCCOc1ccc(CNc2cccc(OCCOc3ccccc3)c2)cc1 19738413 KCGDEEKZYZATDE-UHFFFAOYSA-N 407.510 5.172 0 40 HKAB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccc(C2CCCCC2)cc1 19893535 VOTFHDAYWXJOMB-JXMROGBWSA-N 417.597 5.004 0 40 HKAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 20494452 BLPFUICTEWQZGJ-UHFFFAOYSA-N 416.373 6.558 0 40 HKAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccccc1Sc1ccccc1 22839839 NMCCKFSBGSRXNE-UHFFFAOYSA-N 407.520 5.521 0 40 HKAB O=C(OCc1nc(-c2ccccc2)no1)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 23292199 LQZCBDONHJYEMJ-DLBZAZTESA-N 419.506 5.364 0 40 HKAB CC(C)(C)c1ccc([C@H]2NC[C@@H](c3ccccc3Cl)c3c2[nH]c2ccccc32)cc1 25461391 UGXNYROYRGWPQA-SQJMNOBHSA-N 414.980 6.943 0 40 HKAB Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCCCC2)oc2ccc(Cl)cc12 27664684 HKNBFAGTYLEOJF-KRWDZBQOSA-N 402.947 5.413 0 40 HKAB Cc1cccc(Cn2nc(C)c(NC(=O)C(c3ccccc3)c3ccccc3)c2C)c1 28247542 URLVAJADBFJMBM-UHFFFAOYSA-N 409.533 5.627 0 40 HKAB CN(C(=O)COc1ccccc1)[C@@H](c1ccc(Cl)cc1)c1c[nH]c2ccccc12 32593866 JOOTVNKGYJNIAU-DEOSSOPVSA-N 404.897 5.448 0 40 HKAB Cc1cccc2c(=O)cc(CSc3ccccc3NC(=O)c3ccc(F)cc3)[nH]c12 33063884 VOGUUUTXOIESJK-UHFFFAOYSA-N 418.493 5.520 0 40 HKAB COc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1F 33773101 OJEVPZJPYLCLQI-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB COc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccc(C(C)C)cc2)ccc1O 35606511 IISGXVMEMLKCFO-UHFFFAOYSA-N 407.901 6.236 0 40 HKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(Cl)cc4)ccc32)c1 46078691 CWIOMRALXYVIAK-UHFFFAOYSA-N 404.897 5.494 0 40 HKAB CCc1ccc(O)c([C@@H](C(=O)NCc2c(C)cc(C)cc2Cl)c2ccccc2)c1 59474674 XZAQSDNMGPZGMQ-DEOSSOPVSA-N 407.941 5.673 0 40 HKAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1c(F)cccc1N1CCCC1 71184910 KWXHXWAEJPENNG-UHFFFAOYSA-N 413.493 5.173 0 40 HKAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(SC2CCCCC2)nc1 72217272 VNPJUHGGPRDQGA-QFIPXVFZSA-N 410.583 6.370 0 40 HKAB CC(C)n1c2ccccc2c2c1cc(C(=O)Nc1ccc(F)cc1)n2C(=O)N(C)C 96037365 YKPAAJSLQKAOTC-UHFFFAOYSA-N 406.461 5.098 0 40 HKAB Cc1c(Cl)cccc1NCN1C(=O)S/C(=C\c2ccc(C(C)C)cc2)C1=O 103375061 DLEDWBZCCLCHRZ-ODLFYWEKSA-N 400.931 5.878 0 40 HKAB CCC[C@H]1[C@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@]1(O)c1ccc(F)cc1 106013324 FWIMWRAGFVUMJK-FVVUCMFRSA-N 403.541 6.152 0 40 HKAB CC(C)c1ccc(CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 222733941 JMLBJBHWCDMIHQ-UHFFFAOYSA-N 410.410 6.099 0 40 HKAB Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223394092 MTMYQDDBOOOZAJ-LOSJGSFVSA-N 424.573 5.353 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1C(C)(C)C 223715005 FZLNQBOIGOFSTE-FQEVSTJZSA-N 405.991 5.703 0 40 HKAB COc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccccc1C(C)(C)C 224166432 GZDGSWKJPXWVLP-UHFFFAOYSA-N 421.581 6.192 0 40 HKAB COc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccccc1C(C)(C)C 224167098 VHPSSMMWNXLBJR-UHFFFAOYSA-N 417.549 5.544 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccc(C(C)(C)C)cc1 224180315 BLAZHTIWFSPUOR-UHFFFAOYSA-N 407.485 5.963 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1CSc1ccc(Cl)cc1 224672440 UEJOXTMTLHTJJG-UHFFFAOYSA-N 415.917 6.422 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NCCSCc2ccccc2C)cc1Cl 225362318 IYYDSEXAHOCLHM-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB CCC1(CC)C[C@H](NS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2O1 225374243 BMUYEVJUTYAHTE-INIZCTEOSA-N 414.354 5.354 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc(Cl)cc1F 225535453 AEMCEDUDGOJURO-GOSISDBHSA-N 423.937 5.140 0 40 HKAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)C1(c2cccs2)CCCC1 225625837 KLBSXYLDGWIFFQ-UHFFFAOYSA-N 403.507 5.710 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CCCCC2)c1 225759546 KYMFBNYCBSZHLZ-UHFFFAOYSA-N 415.577 7.024 0 40 HKAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225786317 YQWRFFLYTBUJBL-LLVKDONJSA-N 418.868 5.121 0 40 HKAB O=C1CCCN1c1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1 225865466 HCGZPICQXIYEIJ-UHFFFAOYSA-N 407.583 5.045 0 40 HKAB CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 253504144 CSVWWLUMXNHWSU-YYNOSVHFSA-N 414.718 7.881 0 40 HKAB biogenic,in-vitro Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(Cl)c3)n2)c(C)c1 408696071 VUEZYTKNBOYROK-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(C)cc2)cc1 408696135 WOVQWBQPSJWTMQ-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408705754 MUEZRYCARUJCFM-QFIPXVFZSA-N 423.896 5.376 0 40 HKAB Cc1ccc(/C=C2\N=C(c3sc4cc(Cl)cc(Cl)c4c3Cl)OC2=O)cc1 408971759 KUDRGSFGDMSOBB-MLPAPPSSSA-N 422.720 6.514 0 40 HKAB O=C1S/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)N1CCCc1ccccc1 409139116 ABUZJBRAVNMHTO-LVZFUZTISA-N 410.539 5.329 0 40 HKAB O=C(NCc1cccc2ccccc12)NC[C@H](O)c1ccc(-c2ccsc2)s1 1775966816 CLNBTCIJSGFDBH-IBGZPJMESA-N 408.548 5.163 0 40 HKAB CCOc1ccccc1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 1257624 BAVZJPCEGCLEAM-UHFFFAOYSA-N 420.896 5.195 0 40 HKAB COc1cccc(C(=O)Oc2ccc3c(=O)c(-c4ccccc4OC)c(C)oc3c2)c1 1321263 CBKGMYRKCUOLLZ-UHFFFAOYSA-N 416.429 5.005 0 40 HKAB biogenic O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1SCCC(F)=C(F)F 1403696 AIIFRNFVRIUJCC-UHFFFAOYSA-N 422.350 5.792 0 40 HKAB Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)c1 1513927 YSDHNCJKLGDDTG-UHFFFAOYSA-N 412.514 5.910 0 40 HKAB CCN(CC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)c(Cl)ccc12 1665282 KGMPJLMGMLUCPH-NRFANRHFSA-N 403.353 5.892 0 40 HKAB O[C@@H](CN1CCCCC1)c1cc(-c2ccc(Cl)cc2)nc2cc(Cl)ccc12 1686978 XQRAFDCEKRYLLH-QFIPXVFZSA-N 401.337 5.728 0 40 HKAB O=c1c2c3c(sc2nc(SCc2ccccc2)n1CC1CCCCC1)CCCC3 2081270 YSKWQRMBNWJAJU-UHFFFAOYSA-N 424.635 6.209 0 40 HKAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCC(c1ccccc1)c1ccccc1 2082030 WVKOVGSNCZQXAN-LJQANCHMSA-N 407.941 5.754 0 40 HKAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)CSC1=NCCS1 2270152 LVFWTSBBRRZKNJ-HSZRJFAPSA-N 410.608 5.344 0 40 HKAB CCCCSc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)CCCC4 2271298 HKWGNFUSNWCQFW-UHFFFAOYSA-N 424.595 5.174 0 40 HKAB CCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 2275337 RAKWAGNPJBVCMA-UHFFFAOYSA-N 407.564 5.870 0 40 HKAB COC(=O)c1c(Nc2nc3ccccc3nc2N2CCCCC2)sc2c1CCCC2 2320677 MASIJPRRNQPPBM-UHFFFAOYSA-N 422.554 5.091 0 40 HKAB CCCCSc1nc(NC[C@H]2CCCO2)c2c3c(sc2n1)COC(C)(C)C3 2434006 JSJHCSZCGILYDL-CYBMUJFWSA-N 407.605 5.026 0 40 HKAB CC(C)(C)c1ccc(-c2nc3nc4ccccc4nc3n2CCC2=CCCCC2)cc1 2434288 ZRTNAHNQBSXWBK-UHFFFAOYSA-N 410.565 6.835 0 40 HKAB O=c1[nH]c(CSCc2cccc3ccccc23)nc2scc(-c3ccccc3)c12 2651827 NOWDLKYXSPBYQU-UHFFFAOYSA-N 414.555 6.238 0 40 HKAB OC(CSc1ccccc1Cl)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 3128221 RRIJPNLQOFBTKO-UHFFFAOYSA-N 409.765 6.675 0 40 HKAB CC[C@H](c1ccccc1)[C@](O)(c1ccc(OCCN2CCCC2)cc1)c1ccco1 3846967 MMNKRZBIPYLJRJ-AOYPEHQESA-N 405.538 5.184 0 40 HKAB biogenic CC1=C[C@H](C)[C@]2(COC(=O)Nc3ccccc3)CO[C@H](CCc3ccccc3)[C@H]1[C@H]2C 4026661 XELGSXZQIKSUPR-JZSDKHIZSA-N 419.565 6.101 0 40 HKAB biogenic CCC(=O)N(CC[C@H](C(C)C)[C@@H]1CCOC(C)(C)C1)Cc1ccc(OC(C)C)cc1 4046670 FCOZMFBWWWZEKA-ISKFKSNPSA-N 417.634 6.080 0 40 HKAB biogenic O=C1O[C@](Cc2ccccc2)(c2ccccc2)OC(c2ccccc2)=C1c1ccccc1 4189746 WAZIGPUQHCHMKP-GDLZYMKVSA-N 418.492 6.224 0 40 HKAB Cc1cccc(NC(=S)N(CCc2nc3ccccc3[nH]2)Cc2ccccc2)c1 4858971 MQMCIVYMIDAYLI-UHFFFAOYSA-N 400.551 5.313 0 40 HKAB COc1ccc(Cl)cc1Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl 4924774 GAPGQHBACBUQLT-UHFFFAOYSA-N 420.340 5.228 0 40 HKAB CCCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1cccc(C)c1 5155892 SEYAFQAIJJRIII-UHFFFAOYSA-N 422.598 5.826 0 40 HKAB COc1ccc(C(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)cc1 5670405 MAEVEGQVHKULCU-SKPMPDIMSA-N 422.528 6.132 0 40 HKAB Fc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)cc1 6258043 KOGOOAIAWXAGIB-UHFFFAOYSA-N 411.505 6.519 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1 6881681 DUHBTNBTPRKAIQ-OAQYLSRUSA-N 421.610 6.319 0 40 HKAB CCOc1cc(CNC(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccccc1F 7520844 QBBHHMGEBBSAIV-UHFFFAOYSA-N 421.984 6.761 0 40 HKAB Cc1ccc(CNCc2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 7537831 FBLDFOCHEWNDPM-UHFFFAOYSA-N 401.937 6.670 0 40 HKAB CCOc1ccc(Oc2ccc(NC(=O)Cc3cc(C(C)=O)ccc3OC)cc2)cc1 7541911 OWBKVUDUVOQLQW-UHFFFAOYSA-N 419.477 5.270 0 40 HKAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)c1 7882444 GVSJENCTBQNRTG-IBGZPJMESA-N 400.478 5.087 0 40 HKAB COc1ccc(-c2c(C)nn3c(C(F)(F)F)cc(-c4ccco4)nc23)cc1OC 8569800 GSCXZLIYXCFIAH-UHFFFAOYSA-N 403.360 5.001 0 40 HKAB O=C(Nc1ccccc1)N1CCC(C(=O)N(Cc2ccccc2)c2ccccc2)CC1 9516086 DMMDMVJWBYFKBN-UHFFFAOYSA-N 413.521 5.164 0 40 HKAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)Nc4ccc5[nH]ccc5c4)c(C)c32)c1C 9577097 GQAKEDLMWBMCCR-UHFFFAOYSA-N 414.461 5.435 0 40 HKAB Cc1cccc(-c2nnc([C@@H](C)Sc3nc(C4CC4)n(-c4ccccc4)n3)o2)c1 9577892 UKKCRHLLQDIZDO-OAHLLOKOSA-N 403.511 5.356 0 40 HKAB Cc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1-c1cc2ccccc2oc1=O 10128869 PDUIHVXORLQWMC-MDWZMJQESA-N 415.876 6.074 0 40 HKAB Cc1cc(-c2csc(NC(=O)Cc3c(F)c(F)c(F)c(F)c3F)n2)c(C)s1 10490110 VTWBHVOWSCJNRT-UHFFFAOYSA-N 418.412 5.365 0 40 HKAB CSc1ccccc1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 10972032 NSIHGMIQKTUOKM-UHFFFAOYSA-N 408.470 5.727 0 40 HKAB Cc1cc(C)c2c(-c3oc4ccccc4c3NC(=O)c3cccs3)cc(=O)oc2c1 11865171 HSPXIRJJFPVVFL-UHFFFAOYSA-N 415.470 6.137 0 40 HKAB biogenic c1ccc(CCn2c(SCc3nnc(-c4ccccc4)o3)nc3ccccc32)cc1 12542007 FHWQMKPLFLAYFB-UHFFFAOYSA-N 412.518 5.621 0 40 HKAB C[C@@H](CNC(=O)Cc1ccc(Cl)cc1Cl)c1nc2ccccc2n1C(F)F 12556898 VBYHHGQYQFIFQK-NSHDSACASA-N 412.267 5.201 0 40 HKAB O=C(Nc1ncc(Cc2ccccc2)s1)c1cc(-c2ccccc2)nc2ccccc12 12861405 JVIKNLSVCOCDPG-UHFFFAOYSA-N 421.525 6.201 0 40 HKAB CCOc1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc(OCC)c1OCC 12890068 XTXPNQDNUYTZJB-MRXNPFEDSA-N 415.555 5.414 0 40 HKAB CC(=O)c1cc(Cl)ccc1OCc1csc(N(C(C)=O)c2ccccc2F)n1 12921000 RHAZJDKRRLZOBR-UHFFFAOYSA-N 418.877 5.402 0 40 HKAB Cc1cc(C)c(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c(Cl)c1 12988433 IPJZWRQSEAUPKD-QHCPKHFHSA-N 410.970 5.605 0 40 HKAB CC[C@H](C)[C@@H](C(=O)Nc1nc2ccc(Br)cc2s1)c1ccccc1 15583637 PBUNYVUZBUNPFF-YVEFUNNKSA-N 403.345 5.827 0 40 HKAB CCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)c(Cl)c2)o1 15881422 GXMVTEYAKMOMHQ-UHFFFAOYSA-N 415.280 5.199 0 40 HKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)COc4ccc(C(C)C)cc4)c3)oc2c1 17089924 VCFCBIUDZBGTRT-UHFFFAOYSA-N 414.505 6.253 0 40 HKAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1 17090882 UOJAZENUZMWWON-UHFFFAOYSA-N 416.852 5.274 0 40 HKAB c1ccc(Oc2cccc(CN3CCN(Cc4cccc5ccccc45)CC3)c2)cc1 19889522 YZUBSEWQLIQEDK-UHFFFAOYSA-N 408.545 5.950 0 40 HKAB CCCCOc1cccc([C@@H]2C(C(=O)OCC)=C(C)Nc3nc4ccccc4n32)c1 20672418 OAKPVLJXKMBTSB-JOCHJYFZSA-N 405.498 5.067 0 40 HKAB COc1ccc(Nc2nc(-c3ccc(Cl)cc3)c3c(n2)-c2ccccc2C3=O)cc1 20798098 PITKBUWMMNUUPW-UHFFFAOYSA-N 413.864 5.761 0 40 HKAB COc1ccc([C@H]2CCCN2CCC(=O)Nc2c(Cl)cccc2Cl)c(OC)c1 22199745 BLTJNQXEIDIGFW-GOSISDBHSA-N 423.340 5.176 0 40 HKAB S=c1n(-c2ccccc2)cnn1CN1CCc2sccc2[C@@H]1c1cccs1 23855520 NDDFKRGBKUYPSN-LJQANCHMSA-N 410.593 5.131 0 40 HKAB COc1ccccc1[C@H](CCNCc1ccc(S)cc1)c1ccc(OC(C)C)cc1 26504731 HNXVSQVIHFXVLA-XMMPIXPASA-N 421.606 6.083 0 40 HKAB COc1ccc(C)cc1-n1c(SCc2cccnc2)nc2cc(Cl)ccc2c1=O 27774164 NGWZUOIRVYNSII-UHFFFAOYSA-N 423.925 5.043 0 40 HKAB NC(=O)N[C@@H](CC(=O)Nc1ccc(SC2CCCC2)cc1)c1ccc(Cl)cc1 30510683 UMQSECJDMRTWDV-IBGZPJMESA-N 417.962 5.113 0 40 HKAB O=C(/C=C\c1ccccc1)N(C(=O)/C=C\c1ccccc1)C(=O)/C=C\c1ccccc1 31716810 GGOUTAXSTICLOM-JFJOQQEJSA-N 407.469 5.008 0 40 HKAB O=C(Cc1noc2ccccc12)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 32837271 UPSVMGYGKHAKCV-UHFFFAOYSA-N 408.404 5.201 0 40 HKAB Cc1ccc(-c2nnc([C@@H](C)OC(=O)Cc3csc(-c4cccc(F)c4)n3)o2)cc1 36712695 QQHPRHHGCHVNOT-CQSZACIVSA-N 423.469 5.155 0 40 HKAB CCCCCCC(C)(C)c1ccc([C@H]2CCCC(=O)C2)c(OCc2ccccc2)c1 39286415 HDBOFJVLJDSOER-QHCPKHFHSA-N 406.610 7.740 0 40 HKAB in-vitro CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccc(F)c(Cl)c1 41078091 KRCIRJPSYQXNRI-UHFFFAOYSA-N 415.896 5.382 0 40 HKAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(F)c(Cl)c4)ccc32)cc1 46078571 QSOFIORWEKGLCI-UHFFFAOYSA-N 422.887 5.633 0 40 HKAB Cc1ccc(C)c(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2F)c1 46079062 PIMPERRSXTTXFD-UHFFFAOYSA-N 402.469 5.288 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)N(Cc1cccnc1)C[C@H]1CCCO1 48299681 KOVJBVFXVXPPFQ-OAQYLSRUSA-N 403.482 5.087 0 40 HKAB Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)cc(C)c1I 57313531 VMLRYEXRIVUNAF-UHFFFAOYSA-N 423.294 5.049 0 40 HKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 57313619 AXFNTBHSSHNFIX-UHFFFAOYSA-N 420.852 6.006 0 40 HKAB c1ccc(CN2CCN(c3nc(-c4ccccc4)nc4c3oc3ccccc34)CC2)cc1 57381099 JYSGAOKHJSLNRE-UHFFFAOYSA-N 420.516 5.365 0 40 HKAB COc1cc2c(cc1OC)CN(Cc1cc3sccc3n1CC1CCCCC1)CC2 57719339 DXOOHDCYNDOSKG-UHFFFAOYSA-N 424.610 5.859 0 40 HKAB Nc1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2Cc2ccc3[nH]ccc3c2)n1 72377290 WZXARPNQEVDIPW-JOCHJYFZSA-N 401.489 5.073 0 40 HKAB CC(C)(C)c1ccc(Oc2cc(Br)c(N=O)c(Br)c2)cc1 85409593 LAKPZLKGSVCHKP-UHFFFAOYSA-N 413.109 6.699 0 40 HKAB CC(C)c1ccc(C2(O)CCC(N[C@H](C)c3ccc(-c4cncnc4)cc3)CC2)cc1 95454571 NKSZGSHLKPEQQH-RHKGEPBNSA-N 415.581 5.748 0 40 HKAB C[C@H](c1ccccc1)n1c(SCC(=O)c2ccc3c(c2)CCC3)nc2ccccc21 96191746 VVYOSCJBZKSXCR-GOSISDBHSA-N 412.558 6.109 0 40 HKAB O=C(Nc1ccc(Br)cc1)C1[C@@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 102683208 IHGXONDQOAQJQW-AAVRWANBSA-N 403.147 5.244 0 40 HKAB O=C(CCc1nc(-c2cccnc2)no1)Nc1cc(Cl)ccc1Oc1ccccc1 106034805 TYIGBIUYIHYEKM-UHFFFAOYSA-N 420.856 5.149 0 40 HKAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccccc1Cl 107723340 SUADEJMTIOLNHW-UHFFFAOYSA-N 410.256 6.019 0 40 HKAB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC(=O)C1CCCCC1 118923487 YOVFVQWNQMEMNF-VDGJRLBASA-N 400.603 6.090 0 40 HKAB COc1ccccc1CCC1CCN(C(=O)c2n[nH]c3c2C[C@@H](C(C)(C)C)CC3)CC1 141557767 WGNFCDRBKFPXEP-FQEVSTJZSA-N 423.601 5.054 0 40 HKAB C[C@H](CNC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 224538507 MEKHUAPNBLOZDM-MRXNPFEDSA-N 405.369 5.125 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1cc(C)cc(C)c1C 224608101 KOGABWPDSLFQRO-UHFFFAOYSA-N 417.549 6.459 0 40 HKAB CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 224738177 HBQIUNMAMUPMLT-UHFFFAOYSA-N 416.340 5.331 0 40 HKAB Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225010431 RWVKWMDSOFCFQL-GOTSBHOMSA-N 402.567 5.096 0 40 HKAB O=C(O)[C@@H](Cc1ccccc1Oc1ccccc1)Oc1ccc(-c2ccccc2)cc1 225139052 KRQDXMUDDCUOHD-AREMUKBSSA-N 410.469 6.221 0 40 HKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1OCc1ccccc1 225524333 RSMJGTBICIGMRR-UHFFFAOYSA-N 419.952 6.678 0 40 HKAB O=C(Nc1ccc(F)cc1)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1)N2 226295488 JWMCNGZAHWTGLW-HPPHSEJCSA-N 412.508 6.375 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccccc2Br)cc1N1C[C@H](C)C[C@@H](C)C1 226330166 IKIVIPGBMQWIFN-ZIAGYGMSSA-N 416.363 5.074 0 40 HKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C3CCCC3)CC2)on1 257279979 OIZJKTLLYPJKKZ-IYARVYRRSA-N 410.562 5.144 0 40 HKAB CC1(C)Oc2ccc(CCC(=O)O)cc2[C@H]2O[C@H]3CCCc4ccccc4[C@@H]3C[C@@H]21 257304192 SKLIWOQNAHHFSG-FGJSELGCSA-N 406.522 5.441 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)N[C@H]3C[C@H]4CC[C@H]3C4)c2)cc1 260658785 JWIJSPRKRMSMHN-ZJBJCVSYSA-N 406.595 5.690 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(OC)c1OC 408566442 OBCWVPNIELWWLE-WEVVVXLNSA-N 415.795 5.037 0 40 HKAB COc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1C(C)C 408681288 RKZSDNKJEVRTNR-UHFFFAOYSA-N 418.740 5.035 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccc(C)c(C)c2)c1 408696861 FJADKMRNCXXLRV-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB O=C1OC(c2ccccc2)=N/C1=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 408815119 RQHTZBILHVZFQF-DEDYPNTBSA-N 424.283 5.917 0 40 HKAB CCCc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1cc(OC)cc(OC)c1 408835433 WXZCEISALCDNLJ-UHFFFAOYSA-N 416.930 5.686 0 40 HKAB O=C(CSCc1ccccc1)NCCSCc1ccc(Cl)c(Cl)c1 408924173 CZRVKGGEAOAXHH-UHFFFAOYSA-N 400.396 5.276 0 40 HKAB CCOc1cc(Cl)c(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC 409007279 OVLBRISJGDXGMB-UNOMPAQXSA-N 417.914 5.026 0 40 HKAB COC(=O)c1cc(-c2ccc(/C=C3\Sc4ccccc4NC3=O)o2)ccc1Cl 409101779 RGBMNCUJACYCMQ-ODLFYWEKSA-N 411.866 5.472 0 40 HKAB Cc1ccc(Cl)cc1NCc1ccc(OCc2ccccc2Cl)c(Cl)c1 409114979 GBMSPKCNPWXVSE-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB CCOc1cc(CNc2ccccc2C)cc(I)c1OCC 409116378 IWQKYHBHQHUZJY-UHFFFAOYSA-N 411.283 5.009 0 40 HKAB CCCOc1ccc2ccccc2c1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O 409348778 STMDRALBVGLMMQ-KGENOOAVSA-N 423.921 6.523 0 40 HKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cc(C(C)C)c(OCC)cc1C 409375053 DUWSKZKDLPZYQB-FQEVSTJZSA-N 400.544 5.285 0 40 HKAB CC(C)CN1C(=O)N(c2cccc(F)c2)[C@@H]2[C@H](c3ccc(Cl)cc3)CCCC[C@@H]21 2037838613 RFSTTYDLPYGSCF-RJGXRXQPSA-N 414.952 6.472 0 40 HKAB COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(Cl)cc4)sc3n2)cc1OC 661405 SBAMHTOEMVVYJF-UHFFFAOYSA-N 424.909 5.447 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)c4ccc(OCC(C)C)cc4)ccc3o2)cc1 677316 OWSRWIFFSFUXAZ-UHFFFAOYSA-N 416.477 5.791 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc(C3CCCCC3)n2-c2ccccc2)c1 869875 UMVIGSJJDYOJEZ-UHFFFAOYSA-N 406.555 5.354 0 40 HKAB O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccccc1F 917984 WKXVRVKUYYWOAX-UHFFFAOYSA-N 411.380 5.015 0 40 HKAB O=C(O)c1cc(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2ccc(F)cc12 934728 FPENKCWRANZFTN-UHFFFAOYSA-N 402.208 6.306 0 40 HKAB O=C(Oc1ccc2cc(Br)ccc2c1Br)N1CCCCC1 1106036 WXVVOQIGNWSDPX-UHFFFAOYSA-N 413.109 5.350 0 40 HKAB Cc1ccc(NC(=O)CSc2ccccc2NC(=O)c2ccccc2Cl)c(C)c1 1332342 QYDBBJPYPTWRTO-UHFFFAOYSA-N 424.953 5.940 0 40 HKAB C[C@H]1C(=O)N(Cc2ccc(C(C)(C)C)cc2)c2ccccc2N1C(=O)c1ccccc1 1381852 DVTDZPPDZPOTPE-IBGZPJMESA-N 412.533 5.566 0 40 HKAB COc1cccc(-c2cc(C(=O)Nc3ccc(Cl)cc3)c3cc(C)cc(C)c3n2)c1 2079754 RJDKUBKSGLYKAZ-UHFFFAOYSA-N 416.908 6.433 0 40 HKAB Cc1ccc([C@H](CC(=O)N[C@H]2CCOC(C)(C)C2)c2ccc(OC(C)C)cc2)cc1 2146145 FMJXDKAJJFRTMH-UPVQGACJSA-N 409.570 5.378 0 40 HKAB biogenic Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2Cl)cc1 2224039 FRTIIBLNBPXMNI-JOCHJYFZSA-N 415.876 5.500 0 40 HKAB Cc1ccc(Nc2nnc(SCC(=O)Nc3cccc(Cl)c3C)s2)c(C)c1 3259537 JLTHCSCDCCOBFK-UHFFFAOYSA-N 418.975 5.591 0 40 HKAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ccc(C(F)(F)F)cc1 3263723 BUXPOZCRADMDEU-UHFFFAOYSA-N 413.395 5.097 0 40 HKAB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1c(Cl)cccc1Cl 3343957 NGKSIMBKBPFVDZ-GOSISDBHSA-N 421.349 5.266 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3ccccc3Oc3ccccc3)n2)cc1 4070004 NXKWWPIODUJQPP-UHFFFAOYSA-N 402.475 5.863 0 40 HKAB Cc1cc2cc(C)c(SCC(=O)Nc3ccccc3C(F)(F)F)nc2cc1C 4161029 JWJKSPIQPIOLTQ-UHFFFAOYSA-N 404.457 5.910 0 40 HKAB O=C(c1cccc(Cl)c1)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1 4214747 VGSYHFLOOXBTTA-UHFFFAOYSA-N 404.922 6.311 0 40 HKAB Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccc(OCc2ccccc2)cc1 4678468 TVLOVBBHGDLETP-UHFFFAOYSA-N 413.477 5.007 0 40 HKAB Cc1ccccc1Nc1c(-c2c[nH]c3ccccc23)nc2ccc(Br)cn12 4793927 OPMXWAQUHQWTOW-UHFFFAOYSA-N 417.310 6.297 0 40 HKAB COc1ccc(-c2ocnc2C(=O)Nc2cccc(Oc3ccccc3)c2)cc1OC 5002038 YBCCJBRZVDITPW-UHFFFAOYSA-N 416.433 5.403 0 40 HKAB CN(C)c1ccc([P@@](=O)(OCc2ccccc2)[C@H](O)c2ccc(Cl)cc2)cc1 5026085 LZEPACNQJUHNGU-RBISFHTESA-N 415.857 5.217 0 40 HKAB O=C1CCCC[C@H]1Sc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1 6140607 STBYXRIUQUNRGW-HSZRJFAPSA-N 419.594 6.131 0 40 HKAB COc1ccc(CC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 6208565 LPIRMLOEFABNTL-NRFANRHFSA-N 418.924 5.321 0 40 HKAB CCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 6553229 MIVPMOMYWPJMNV-UHFFFAOYSA-N 422.550 5.227 0 40 HKAB CCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 6709767 DIWORFCPHVZRBU-HXUWFJFHSA-N 416.502 5.179 0 40 HKAB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1 6960914 KPNHGAWJAKMYJM-UHFFFAOYSA-N 410.901 5.368 0 40 HKAB O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 7781563 DISMOTPVDIKZEB-FPYGCLRLSA-N 408.376 5.342 0 40 HKAB CC(C)Oc1cccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 8071669 HQDHXZNQNHTIHE-UHFFFAOYSA-N 414.299 5.426 0 40 HKAB FC(F)(F)c1cccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c1 9053319 IEQPOUOKEPNSMW-UHFFFAOYSA-N 416.428 5.293 0 40 HKAB O=C(COC(=O)CSc1ccc2ccccc2c1)Nc1ccccc1C(F)(F)F 9663601 QICLIDMZIWZDLU-UHFFFAOYSA-N 419.424 5.133 0 40 HKAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc(OC(F)(F)F)cc1 9670010 ODSXFMYIVYIPSP-UHFFFAOYSA-N 412.820 5.543 0 40 HKAB COc1cccc2c1N(C(=O)CSc1nnc(-c3ccccc3)o1)C(C)(C)C=C2C 9938257 FWSXABPGFOYPAH-UHFFFAOYSA-N 421.522 5.066 0 40 HKAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10235566 KECPRPZFQRAWBM-CYBMUJFWSA-N 418.921 5.262 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccc(CN2CCCCC2)cc1 10338463 KMLJQNZMPIXRKH-UHFFFAOYSA-N 402.563 6.076 0 40 HKAB CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3ccc(F)cc3)C[C@@H]21 12196080 JTEQEMVOLOOFEG-XUZZJYLKSA-N 422.887 6.120 0 40 HKAB C[C@@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(C(=O)c2c(F)cccc2F)n1 12856724 JAOFSLYCRXXGIP-OAHLLOKOSA-N 422.406 5.796 0 40 HKAB O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)c1ccc(Cl)c(Cl)c1 12908251 QCLMIONZOLXVRU-UHFFFAOYSA-N 419.287 5.370 0 40 HKAB Cc1ccc(-c2noc(-c3cc4nc(-c5ccco5)cc(C(F)(F)F)n4n3)n2)cc1 13644800 VTIQIERJFNIMOU-UHFFFAOYSA-N 411.343 5.034 0 40 HKAB CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 15882510 VTYPDKXFICZUHD-UHFFFAOYSA-N 422.531 5.009 0 40 HKAB O=C(Nc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1)c1ccc2c(c1)OCO2 17091998 UFRHRWQCQSSUBY-UHFFFAOYSA-N 419.824 5.038 0 40 HKAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 20142552 CAPPOAQZQKYVCK-UHFFFAOYSA-N 422.264 5.015 0 40 HKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1 20609982 RLHAIWIDQHEQCI-QGZVFWFLSA-N 400.482 5.159 0 40 HKAB Clc1ccc(COc2ccccc2CNC2C3CC4CC(C3)CC2C4)c(Cl)c1 22073765 CLKIELCAYDJFCE-UHFFFAOYSA-N 416.392 6.487 0 40 HKAB O=C(CCc1nc2ccccc2s1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 24968587 COYDARKFLJJCIS-DEOSSOPVSA-N 412.518 5.011 0 40 HKAB CCCCc1ccc(Nc2cc(C)nc3c(-c4ccccc4)c(C(F)(F)F)nn23)cc1 27585741 NDHNEEOVKXENKT-UHFFFAOYSA-N 424.470 6.810 0 40 HKAB Cc1cc(Cl)ccc1-n1ncc2c(N3CCC(Cc4ccccc4)CC3)ncnc21 28405981 XOYFWUAPEUSKCM-UHFFFAOYSA-N 417.944 5.236 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 32623583 ANNIIPIGTKHNCG-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB CN(Cc1ccccc1N1CCCC1)C(=O)CCc1ccc(-c2ccccc2F)o1 32788523 OIYJROBONNMWRT-UHFFFAOYSA-N 406.501 5.277 0 40 HKAB Cc1nc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)n(C2CC2)c1C 32894065 SNQAHUAZOXUBTC-UHFFFAOYSA-N 407.539 5.145 0 40 HKAB Cc1ccc(COc2ccc(C(=S)N3CCC(C)CC3)cc2Br)cc1 33450178 YTRWBTNBKCEJRO-UHFFFAOYSA-N 418.400 5.744 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38849572 MACCAYIAHPJTEP-UHFFFAOYSA-N 411.760 5.806 0 40 HKAB CC[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(C)cc1 44901354 BXXRPQXZMAEVOQ-XMMPIXPASA-N 405.563 6.047 0 40 HKAB O=C(CSc1cc(NCc2ccc(Cl)cc2)ncn1)Nc1ccccc1Cl 49006724 VDLOGSAAKKXIGJ-UHFFFAOYSA-N 419.337 5.126 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2NC2CCCCC2)cc1 72214057 CEKBGSIETQDSEB-QFIPXVFZSA-N 413.587 5.051 0 40 HKAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1Cc1ccccc1 72215028 HTPCUERSFNMPIM-JOCHJYFZSA-N 409.574 5.960 0 40 HKAB CCc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccccc5)cn34)n2)cc1 96038060 WOWKUGKHBATOBJ-UHFFFAOYSA-N 406.489 5.607 0 40 HKAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 96053043 YLBDDEIZPWLBIZ-OAQYLSRUSA-N 408.561 5.105 0 40 HKAB CC1(C)[C@H]2CC[C@@]1(C)c1nc(SCC(=O)c3ccc(-c4ccccc4)cc3)nnc12 100477013 AHURRZZITXAHIK-DFBJGRDBSA-N 415.562 5.689 0 40 HKAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3nc(-c4ccc(C)c(C)c4)c(C)s3)C(=O)[C@H]21 102632213 SOLLMDNHUHVKOG-HNBVOPMISA-N 406.551 5.217 0 40 HKAB C[C@H](N/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)[C@H]1C[C@H]2CC[C@H]1C2 107450784 FVEGEUWYIKZIEV-ADCODKFUSA-N 420.940 5.282 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCc1cccc(OC(C)C)c1 219383979 ZSGMYOLWQKJCKB-OAQYLSRUSA-N 405.991 5.747 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 219387964 BHASRBBGJLXPTO-AZUAARDMSA-N 419.974 5.638 0 40 HKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3c(OC)ccc4ccc(OC)cc34)N21 222652425 TUBNMWJDQIQYRE-PBNUPURSSA-N 419.550 5.231 0 40 HKAB CC[C@@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccc2c(c1)CCCC2 223137993 IOUZNVBVSGQRRF-XMMPIXPASA-N 409.551 5.157 0 40 HKAB C[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)CCC2 223152088 LKKLEZPZFIEXPN-QGZVFWFLSA-N 421.993 6.612 0 40 HKAB O=C(Nc1ccccc1Cl)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224028477 ZFGSLQIZKXYDJQ-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1C 224330058 QVHYNRJLWMUQFK-UHFFFAOYSA-N 414.549 5.065 0 40 HKAB CCOc1ccc(Nc2cc(C)nc(NC(=S)NCCC3=CCCCC3)n2)cc1 225199512 KXJWAJPCVHWZQK-UHFFFAOYSA-N 411.575 5.104 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c2ccccc12 225682610 DNODRESAULILOT-SFHVURJKSA-N 405.513 6.607 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)c2cccnc12 225865035 NBDRAMMESRYYSV-UHFFFAOYSA-N 418.537 5.873 0 40 HKAB O=C1CCCN1c1cccc(NC(=S)NC2(CCc3ccccc3)CCCC2)c1 225870688 OSIAUFBPZMVDJI-UHFFFAOYSA-N 407.583 5.045 0 40 HKAB CN(Cc1ccccc1F)C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 225906615 MIHJQOKSOQGUQJ-QGZVFWFLSA-N 409.332 5.003 0 40 HKAB Nc1nnc(-c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)o1 226321774 UTANAJQUHRZXEO-UHFFFAOYSA-N 405.068 5.511 0 40 HKAB Cc1cc(Br)cc(C)c1NC(=O)c1cc(N)ccc1N1CCC(C)CC1 226324401 VTTNCGKQTBPSLH-UHFFFAOYSA-N 416.363 5.137 0 40 HKAB CCCCc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 408547883 OFPAOPAWOAQZCX-UHFFFAOYSA-N 422.550 5.391 0 40 HKAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3cc(C)ccc3C)sc2n1 408618243 FGWYLVDASHLVNE-UHFFFAOYSA-N 412.584 5.273 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(OC(C)C)cc4)ccc3o2)c(C)c1 408622651 QHUCVICQABGGOP-UHFFFAOYSA-N 400.478 6.151 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(C)ccc3C)n2)cc1 408696156 WXMSODHHDHQOLS-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CSCc2ccccc2)cc1 408778799 KZZPFCOPATYDLK-UHFFFAOYSA-N 401.453 6.391 0 40 HKAB CCOc1ccccc1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 408970610 JFZAMFKZZXGUNF-UHFFFAOYSA-N 400.714 6.513 0 40 HKAB COc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1Br 409059298 MHBRRFVOJKCQBU-DHDCSXOGSA-N 424.703 5.352 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2CC(C)C)cc1Cl 409094053 CVYNLXPRCDIPAC-UHFFFAOYSA-N 414.962 5.294 0 40 HKAB Clc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 409107537 RWIZHVGSLMPBME-UHFFFAOYSA-N 412.345 6.533 0 40 HKAB O=C(CN1C(=O)S/C(=C\c2c(F)cccc2Cl)C1=O)c1ccc(Cl)cc1 409357853 KLBYPOPRZMADMH-PXNMLYILSA-N 410.253 5.052 0 40 HKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccccc3)c2c1 648701 FSOMXFMJPJBWDE-UHFFFAOYSA-N 417.509 5.729 0 40 HKAB O=C(c1ccccc1)N(CCN(C(=O)c1ccccc1)c1ccccc1)c1ccccc1 1893835 QONRTUMCXWVOIC-UHFFFAOYSA-N 420.512 5.680 0 40 HKAB Cc1cccc(COc2ccc3c(-c4cc5ccccc5oc4=O)cc(=O)oc3c2)c1 2114512 VFKRXDVXHWERSF-UHFFFAOYSA-N 410.425 5.454 0 40 HKAB biogenic CCOc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)cc1 2256541 OXLYZUNXNGHKMO-UHFFFAOYSA-N 410.521 5.615 0 40 HKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCc3ccccc3C)cc12 2320545 HRIRPABJGUUAAP-UHFFFAOYSA-N 416.473 6.173 0 40 HKAB aggregator,biogenic CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1Cl 2393690 IFHDANWTJZNZLM-AFMDSPMNSA-N 416.285 5.471 0 40 HKAB Clc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3sc4c(c23)CCC4)cc1 2656983 SIVPHTWHQJBNJW-UHFFFAOYSA-N 412.345 6.897 0 40 HKAB O=C(/C=C/c1ccc2ccccc2c1)Nc1ncc(Cc2cccc(Cl)c2)s1 2669437 YOEWLHXKGKYYLI-PKNBQFBNSA-N 404.922 6.192 0 40 HKAB O=C(CSc1nc2cc(Cl)ccc2o1)Nc1ccc(SC(F)F)cc1 3267537 YNBHOJYMIQDQFY-UHFFFAOYSA-N 400.859 5.527 0 40 HKAB Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccccc2Cl)c2ccccc2)cc1Cl 3290548 FVHMFLPNHMJOMS-FQEVSTJZSA-N 414.288 5.839 0 40 HKAB aggregator CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)c2c(F)cccc2F)cc1 3322198 MQBWNXWUSKTHAD-UHFFFAOYSA-N 424.447 5.307 0 40 HKAB Cc1nc2ccccc2nc1CSc1nc2ccccc2c(=O)n1C1CCCC1 3444506 PLHRBOJCYCZTOI-UHFFFAOYSA-N 402.523 5.056 0 40 HKAB COc1ccc(C(=O)Nc2c(C(=O)c3ccc(C)cc3)oc3ccccc23)cc1OC 3655301 RFJRPNLHXJVEND-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1 3655360 UZOIFXXCKPACKB-UHFFFAOYSA-N 415.464 6.353 0 40 HKAB O=C(CSc1cn(Cc2ccccc2)c2ccccc12)NCc1ccc(F)cc1 4060659 ATVPPVHLHHPLCJ-UHFFFAOYSA-N 404.510 5.237 0 40 HKAB CC(C)(C)C(=O)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 4078410 RYKUQJZGPAINJB-UHFFFAOYSA-N 409.599 5.585 0 40 HKAB COc1cc(NC(=O)c2cccc(OC(C)C)c2)ccc1NC(=O)c1cccs1 4487839 XWSGFZICLWQNQD-UHFFFAOYSA-N 410.495 5.049 0 40 HKAB Cc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)cc1 4551108 HCFKEHIMKULNRB-UHFFFAOYSA-N 404.560 6.458 0 40 HKAB CC(C)COc1cccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1 4616617 HQCQQFAWSBTJQG-UHFFFAOYSA-N 420.896 6.435 0 40 HKAB Cc1sc2nc(C3CCCCC3)nc(SCC(=O)c3cccs3)c2c1C 4848102 PYIZGMOBDHKUQJ-UHFFFAOYSA-N 402.610 6.392 0 40 HKAB Cc1cc(C)c(COc2ccc(-c3nc4sc(C)c(C)c4c(=O)[nH]3)cc2)c(C)c1 5634753 ZDTVGOMYWLQLLZ-UHFFFAOYSA-N 404.535 5.773 0 40 HKAB Cc1cc(C)c2nc(SCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)cc(C)c2c1 5895850 JBVZQIRXDAEIGK-ABVOBTCJSA-N 422.638 5.973 0 40 HKAB CCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 8150693 FTSBXTZCJBTFFC-MHZLTWQESA-N 404.513 6.687 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(C)c(Cl)c4)cc3)nc2c1 8198188 PQNXAGGHXRLNFN-HNNXBMFYSA-N 418.924 7.222 0 40 HKAB COc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1ccccc1 8470330 QCBKAGTUFYJMEC-UHFFFAOYSA-N 411.973 5.842 0 40 HKAB CCOc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2cccc(Cl)c2)cc1 8476371 MZMBZTLBYRCFQY-UHFFFAOYSA-N 424.932 5.049 0 40 HKAB Cc1ccc(-c2csc(N(C)C(=O)c3c(C)nn(-c4ccccc4)c3Cl)n2)cc1 8670334 CZUDXGGFKRAIAF-UHFFFAOYSA-N 422.941 5.543 0 40 HKAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N[C@H]1CCCc2ccccc21 9464149 HCSMSTKDUFQIEX-KDOFPFPSSA-N 424.595 5.016 0 40 HKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1 9518921 AHWNLQMCWRWEQH-UHFFFAOYSA-N 418.547 5.340 0 40 HKAB Cc1nnc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)n1C1CCCCC1 10014591 GFLOVZSZTOGPFM-NSHDSACASA-N 413.374 5.518 0 40 HKAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1nc2ccc(Cl)cc2s1 11504279 MVTZJZMQUKVLET-UHFFFAOYSA-N 401.850 5.315 0 40 HKAB O=c1oc2cc(OCc3cccc(Br)c3)c(Cl)cc2c2c1CCCC2 11866766 XCAVJOUFUHRGJG-UHFFFAOYSA-N 419.702 5.667 0 40 HKAB CCCCc1noc([C@@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)n1 12825353 WAYNBXMQBVASFD-CYBMUJFWSA-N 408.531 5.340 0 40 HKAB O=C(O)/C=C/c1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 12993160 JSICOVVJSMJEFE-ZZXKWVIFSA-N 403.278 5.074 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1cccc(Cl)c1)CC2 13042202 COFRCCGXQMZYSV-QHCPKHFHSA-N 407.897 5.145 0 40 HKAB COCc1nn2c3c(cnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](c1ccccc1)C3 13638349 URRSWOIAIHKKBG-QGZVFWFLSA-N 417.896 5.109 0 40 HKAB O=C(c1csc(-c2ccsc2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 14118234 RZBDOLZYPNJUBS-QGZVFWFLSA-N 412.536 5.010 0 40 HKAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2ccccc2C(F)(F)F)n1 14595457 AMLRFCORGMQLQX-UHFFFAOYSA-N 401.413 5.871 0 40 HKAB Cc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3ccc(Cl)c(C)c3)cs2)cc1 15832540 ALAOLPUSCAZBGJ-HNNXBMFYSA-N 400.931 5.164 0 40 HKAB O=C(c1ccccc1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19368776 GVANOLNCKPWBJJ-HSZRJFAPSA-N 421.504 5.260 0 40 HKAB c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCN3Cc3ccccn3)n2)cc1 19373257 VJZOICIJHLFQDG-HSZRJFAPSA-N 408.509 5.014 0 40 HKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(OC(C)C)cc3)sc2c1 20411439 UVCUDXFXCLZLPN-UHFFFAOYSA-N 412.511 5.293 0 40 HKAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1c(C)cccc1C 21787444 BCSBBVZGRQKGBJ-QHCPKHFHSA-N 405.542 5.196 0 40 HKAB COc1ccc(-c2cc(C(=O)N(Cc3ccco3)Cc3sccc3C)no2)cc1 28251694 QNGGAMVVFZJKNW-UHFFFAOYSA-N 408.479 5.156 0 40 HKAB COc1ccc(CN(C)C(=O)c2ccc(CSc3ccccc3)cc2)cc1OC 29262939 CLJZDFVTTQZKNL-UHFFFAOYSA-N 407.535 5.268 0 40 HKAB Cc1c(Cl)cccc1NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 32578540 UXLQXOKIEFSIKP-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSCc1ccc(Cl)cc1 32797492 PEEILVBVENJZPU-UHFFFAOYSA-N 415.986 6.201 0 40 HKAB O=C1c2ccccc2N[C@H](c2cc(Cl)ccc2OCc2cccnc2)N1C1CC1 32825977 HGPKQOJTABMEKN-QFIPXVFZSA-N 405.885 5.043 0 40 HKAB COc1cc(CNc2ncc(-c3ccc(C)cc3)n2C)ccc1OCc1ccccc1 33850306 XBHKRZAEJCAGOM-UHFFFAOYSA-N 413.521 5.595 0 40 HKAB CCc1cc2ccc(C)c(C)c2nc1SCC(=O)Nc1cccc(NC(C)=O)c1 35291444 CGEZPUXVXZHOEJ-UHFFFAOYSA-N 407.539 5.103 0 40 HKAB CCOc1cc(/C=C/C(=O)N(C2CC2)[C@H](C)c2ccccc2F)ccc1OC(F)F 40070305 ICLKTBZPFCKOAB-BMQCOBNYSA-N 419.443 5.591 0 40 HKAB CCOc1ccc(Nc2c(C(=O)N3CCCC[C@@H]3C)cnc3nc(C)ccc23)cc1 49005238 OLEFJPYLNSNTPA-KRWDZBQOSA-N 404.514 5.095 0 40 HKAB CC(C)(C)OC(=O)N1CCC(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1 51104654 FQRXXMUFCLNEEK-UHFFFAOYSA-N 409.505 5.338 0 40 HKAB CC(C)c1ccc(CN2CCCC[C@H]2C[C@H](NC(=O)C(C)(C)C)c2ccccn2)cc1 57774806 CGJGZEUKMNJJMJ-ZCYQVOJMSA-N 421.629 5.853 0 40 HKAB O=C1Nc2ccccc2/C1=C\c1nc2ccccc2c(=O)n1-c1cccc2ccccc12 59835301 GPUSFVVGYZBTRC-LTGZKZEYSA-N 415.452 5.032 0 40 HKAB O=C(Nc1nccs1)c1cc2cc(Cl)ccc2o/c1=N\c1cc(F)ccc1F 67294951 BVAIQUOIAXFUFD-MOHJPFBDSA-N 417.824 5.306 0 40 HKAB Cc1cccc(NC(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)c1 96037733 UDBRWKBWBQUBCC-UHFFFAOYSA-N 408.505 5.583 0 40 HKAB Cc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O 100082394 CZXVQJVCWMCNKX-SZUBIPLGSA-N 417.508 5.419 0 40 HKAB COc1cc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3onc(C)c32)ccc1O 102716446 UEAJGAXKXZIAGL-AOMKIAJQSA-N 402.450 5.305 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)cc1Cl 108006499 CDBDMURYOULAOM-UHFFFAOYSA-N 408.354 5.029 0 40 HKAB COc1ccc([C@@H]2CCCCCN2C(=O)Cc2c(C)[nH]c3c(C)cc(C)cc23)cc1 141534168 IDUIYYMIZKCCCB-DEOSSOPVSA-N 404.554 5.788 0 40 HKAB Cc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)s1 195529869 JJZMJOSCJCSROZ-DYWXZXKOSA-N 404.605 5.012 0 40 HKAB C[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc2c(c1)CCCC2 222955518 QFHFKZBGDJVIGT-ZDUSSCGKSA-N 422.750 5.238 0 40 HKAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1cccc(Cl)c1 224146547 GXAFBUNSUJNYPB-UHFFFAOYSA-N 403.812 5.458 0 40 HKAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1cccc2ccccc12 224298804 AITPAXHCLSQNJB-UHFFFAOYSA-N 411.501 5.666 0 40 HKAB CCOc1ccc(C(=O)N2CCCCCC2)cc1COc1ccc(Cl)c(C)c1 224546738 SZNVCPMFNFQMAE-UHFFFAOYSA-N 401.934 5.642 0 40 HKAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1C(C)C 225861038 CBAMHYQYWGTPOA-QGZVFWFLSA-N 403.588 5.464 0 40 HKAB Cc1cc(C23CC4CC(CC(C4)C2)C3)cc2nc(-c3ccc(Br)cc3)[nH]c12 226303578 BQBHLFSSSPSAOV-UHFFFAOYSA-N 421.382 6.769 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1c1ccc(Sc2ccc(Cl)cc2)cc1)[C@@H]1C[C@H]31 226398492 LAKVKYNDFCWXOZ-SQDPYLFBSA-N 407.922 5.049 0 40 HKAB COc1ccccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257212827 CFDINAWQEOKDPX-FQEVSTJZSA-N 410.901 5.295 0 40 HKAB Nc1cccc(C(=O)Nc2cccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2)c1 408668078 CLAKWNNUYOTUTO-UHFFFAOYSA-N 423.472 5.566 0 40 HKAB CCCc1sc(NC(=O)c2ccc(C)cc2)nc1-c1ccc(Cl)c(Cl)c1 408827777 MGWCYPJGWJHVFI-UHFFFAOYSA-N 405.350 6.630 0 40 HKAB CC(C)Oc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1Br 408902713 QHUCIXRKNCCZOA-GZTJUZNOSA-N 418.312 5.477 0 40 HKAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 408914881 YJVNBMYMRLQPDR-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2)cc1C 409087578 IVAWWLLCICRXJH-UHFFFAOYSA-N 405.954 6.497 0 40 HKAB Cc1ccc(Cl)cc1NCc1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 409115456 MJYLINIMVBHRTL-UHFFFAOYSA-N 424.730 7.285 0 40 HKAB O=C1S/C(=C\c2ccc(OCCOc3ccccc3)cc2)C(=O)N1c1ccccc1 409355133 JDRAZSBIOMZSLD-XLNRJJMWSA-N 417.486 5.385 0 40 HKAB Cc1cccc(C)c1OCc1nnc(SCc2ccc(Br)cc2)o1 409360493 AGLUENSCYZAVGM-UHFFFAOYSA-N 405.317 5.320 0 40 HKAB C[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)C1 651994 AGXARBXKZVCISS-HNNXBMFYSA-N 409.327 5.536 0 40 HKAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)cc3C)C(=O)[C@@H]12 854657 HOYCNZGAXMXRFI-MSVKLTOBSA-N 407.513 5.264 0 40 HKAB biogenic Cc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 933901 XDXQIRZBXSJTHT-UHFFFAOYSA-N 417.534 5.137 0 40 HKAB Cc1ccc(C)c(NC(=O)COc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)c1 952112 XPPPLWRNHSSFKX-UHFFFAOYSA-N 422.912 5.535 0 40 HKAB O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2 1694592 JCZACUNINNBCHW-UHFFFAOYSA-N 419.436 5.516 0 40 HKAB Cc1ccc([C@@H](CC(=O)N[C@@H](C)CCc2ccccc2)c2ccccc2)c(O)c1C 2105780 MCNPFDTVKKNCNO-CPJSRVTESA-N 401.550 5.669 0 40 HKAB biogenic CCOc1ccc([C@H](Cc2ccccc2)NC(=O)c2ccccc2F)cc1OCC 2127280 RZARJEDTCYDEOH-QFIPXVFZSA-N 407.485 5.337 0 40 HKAB Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1CCC1=CCCCC1 2369509 ALQAAXPUUOPRGU-UHFFFAOYSA-N 418.541 5.547 0 40 HKAB C[C@H]1CCCCN1c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 2412429 HHARKMSTFOJLET-HNNXBMFYSA-N 400.551 5.774 0 40 HKAB COc1ccc(CCC(=O)N(c2nc3ccccc3s2)c2c(C)cccc2C)cc1 2639630 VNKGSRANSOYFGR-UHFFFAOYSA-N 416.546 6.219 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](Sc1ncnc2ccccc12)c1ccccc1 3245828 CNLUWTKJKDKFDC-JOCHJYFZSA-N 415.518 5.501 0 40 HKAB Cc1ccc(-c2csc3ncnc(N4CCN(c5cccc(Cl)c5)CC4)c23)cc1 3299450 GUJCEBSJACGVOW-UHFFFAOYSA-N 420.969 5.647 0 40 HKAB CCCCN(C(=O)Cc1c(Cl)cccc1Cl)c1nc2ccc(C)cc2s1 3349289 JAZXLNJJQOIPRW-UHFFFAOYSA-N 407.366 6.287 0 40 HKAB O[C@H](CNC(c1ccccc1)c1ccccc1)COC(c1ccccc1)c1ccccc1 3395592 LLMPSESUGCTMMR-HHHXNRCGSA-N 423.556 5.533 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](c1ccccc1)N1CCCc2ccccc21 3406570 GVXMLXHXWGSORA-QFIPXVFZSA-N 411.332 6.126 0 40 HKAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1nc2ccccc2s1 3436327 KIEWKTWDUDKDRP-UHFFFAOYSA-N 406.319 5.979 0 40 HKAB S=C(NCC1(N2CCCCC2)CCCCC1)Nc1ccc(Oc2ccccc2)cc1 3477468 XFBWVMMSCQUEKC-UHFFFAOYSA-N 423.626 5.954 0 40 HKAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@@H]4CCCC[C@@H]4Cc4ccco4)[C@H]3C=C12 4028644 YEXCLAFCAHCLGV-AJYHTQRMSA-N 411.586 5.285 0 40 HKAB biogenic CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2)CSC3)cc1 4077326 VSTXUYZCMDWELN-UHFFFAOYSA-N 407.539 5.359 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1 4134680 BRDAGQIOZIIKNW-UHFFFAOYSA-N 409.536 5.851 0 40 HKAB CN(Cc1ccccc1)C(=O)[C@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1 4271446 ZGXQKISLTJLHIV-DEOSSOPVSA-N 414.549 5.350 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccccc1SCc1ccccc1 4689607 CGRSDPFCZNSYIO-UHFFFAOYSA-N 409.554 6.498 0 40 HKAB O=C(Cc1ccc(Cl)cc1)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 5077336 ZCLWJVSUEFYXJZ-UHFFFAOYSA-N 404.322 5.107 0 40 HKAB Cc1ccc(C(C)C)c(OCCn2cc(C(=O)C3CCCCC3)c3ccccc32)c1 6415218 WADOTTXHADHXMD-UHFFFAOYSA-N 403.566 6.915 0 40 HKAB O=C(O)Cc1sc(Nc2cccc(C(F)(F)F)c2)nc1-c1ccc(Cl)cc1 6444659 ODHCGEUFYVVMDN-UHFFFAOYSA-N 412.820 5.853 0 40 HKAB CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 6543796 MKNLFTIUZUODIK-UHFFFAOYSA-N 400.434 5.347 0 40 HKAB Cc1ccc(Nc2nnc(S[C@H](C)C(=O)N[C@H]3CCC[C@H](C)[C@@H]3C)s2)cc1 6650436 PSODWQFXHRFFAD-MPTYRVRUSA-N 404.605 5.012 0 40 HKAB Cc1ccccc1OCCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 6752557 FLRYLEABFGXJAV-UHFFFAOYSA-N 419.569 5.053 0 40 HKAB aggregator CCCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)cc1 6752941 AGVLGSAQGHYIIU-DEOSSOPVSA-N 419.525 5.307 0 40 HKAB O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1cccc(Cl)c1Cl 6757129 WSHFLQJGKRDJBR-UHFFFAOYSA-N 415.276 5.533 0 40 HKAB CCOc1cccc(C(=O)Oc2cc(-c3ccc(F)cc3)c3oc(=O)sc3c2)c1 6809699 MVTKAKUMDQZKOQ-UHFFFAOYSA-N 410.422 5.279 0 40 HKAB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccccc1N1CCCC1 6822324 PDWQEHRJRCXAFT-UHFFFAOYSA-N 407.539 5.436 0 40 HKAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(Cl)c(Cl)c1 6885819 NDJYYEZKZOMMRF-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB CCc1ccc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)cc1 6901725 RBTBCQPPRCZKTF-UHFFFAOYSA-N 407.477 5.123 0 40 HKAB Fc1ccccc1-c1nnc(SCc2csc(-c3ccsc3)n2)n1C1CC1 7726392 HCJXJDDOHHKMHE-UHFFFAOYSA-N 414.556 5.896 0 40 HKAB COc1cc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc(OC)c1 7969678 GNOBXPQCJFDPCF-UHFFFAOYSA-N 415.445 5.038 0 40 HKAB CCC(=O)Nc1ccccc1C(=O)Nc1cc(-c2cnc3ccccc3n2)ccc1C 8040535 MUHYGRZNWQLDMA-UHFFFAOYSA-N 410.477 5.206 0 40 HKAB CCN(CC)Cc1nc(Oc2ccc3c(C)cc(=O)oc3c2)c2c(C)c(C)sc2n1 8148906 VRTLSQZIPZRJSB-UHFFFAOYSA-N 423.538 5.357 0 40 HKAB CCOc1ccc(NC(=O)c2cn3nc(C)c(-c4ccc(Cl)cc4)c3nc2C)cc1 8559357 YQUIRRAZQUHRHP-UHFFFAOYSA-N 420.900 5.318 0 40 HKAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 9095026 QRJQKOFWVJXVAV-AWEZNQCLSA-N 423.856 5.364 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 9232181 PSZRQPXSTMYHIZ-SNVBAGLBSA-N 417.214 5.004 0 40 HKAB Cc1ccc(OCCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1 11667364 BNUJADXNZKUKLI-IBGZPJMESA-N 417.509 5.288 0 40 HKAB CCc1sc(-c2nnc(CSc3nccn3-c3ccc(OC)cc3)o2)cc1C 12547788 MIOMJAFNKYZGNE-UHFFFAOYSA-N 412.540 5.156 0 40 HKAB FC(F)(F)c1cc(Cl)c2nc(-c3ccc(Br)cc3)c(Cl)n2c1 12958280 RTPLZCOMBCCMKK-UHFFFAOYSA-N 410.020 6.089 0 40 HKAB O/C(=C(\C(=S)Nc1ccccc1)[n+]1ccccc1)c1ccc(Br)cc1 13616779 RSNDDOOWVYMZQX-UHFFFAOYSA-O 412.332 5.060 0 40 HKAB O=C([C@@H]1CCC[C@H]1c1ccc(Cl)cc1)N1CCN=C1Cc1cccc2ccccc12 13774235 HLPFHHVQRDDGTI-BJKOFHAPSA-N 416.952 5.860 0 40 HKAB CC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2C2CCCCC2)c1 14094365 WPMMSFWVPMYCTQ-UHFFFAOYSA-N 400.906 5.364 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)NC[C@H](c3ccc(C)o3)N3CCC(C)CC3)oc2c1 15860500 NXOGNGLOKQXTRX-HXUWFJFHSA-N 408.542 5.462 0 40 HKAB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(Cl)cc1Cl 17091223 WPUZQQWAQOILLQ-UHFFFAOYSA-N 417.683 5.633 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)COc1ccc(Cl)cc1C 17093402 BKFVULWIXSIPSH-UHFFFAOYSA-N 422.937 6.251 0 40 HKAB Clc1ccc(Nc2nc(NC3CCCC3)nc3c2cnn3-c2ccccc2)cc1 17200412 VOQAQNRFRGJKDE-UHFFFAOYSA-N 404.905 5.567 0 40 HKAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1ccccc1Cl)CO3 20358200 ANKRLMZQWCJMEZ-UHFFFAOYSA-N 403.865 5.466 0 40 HKAB Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cccc1-c1nc2ccccc2o1 21595309 UDDVISIZRLFRBP-BMRADRMJSA-N 420.468 6.715 0 40 HKAB COc1ccc([C@H]2CCCCCN2CCC(=O)Nc2c(Cl)cccc2Cl)cc1 22199943 LTEPCWJCEKRYME-HXUWFJFHSA-N 421.368 5.948 0 40 HKAB Cc1c(C(=O)N2CCCSc3ccccc32)cnn1-c1cccc(C(F)(F)F)c1 22476378 XQDHPOGHPPGQPF-UHFFFAOYSA-N 417.456 5.342 0 40 HKAB Clc1ccc(-c2nnc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)o2)cc1 24602059 MBDZDBMEZIAJCD-OAHLLOKOSA-N 410.930 5.379 0 40 HKAB O=S(=O)(Nc1ccc(-c2cnc(C3CC3)o2)cc1)c1cc(Cl)cc(Cl)c1 26548302 DRYMHJWZLFJMCU-UHFFFAOYSA-N 409.294 5.327 0 40 HKAB COc1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccn2)cc1OC 27662678 AVIIICKJLRNMHN-UHFFFAOYSA-N 404.510 5.243 0 40 HKAB CCn1c(SCc2cccs2)nnc(Nc2cc(Cl)cc(Cl)c2)c1=O 28538141 AMUDLVYNBFOFPZ-UHFFFAOYSA-N 413.355 5.062 0 40 HKAB Cc1nccc(-c2cccc(NC(=O)c3c(-c4c(F)cccc4Cl)noc3C)c2)n1 31800750 BTRRZSHTCUDPNY-UHFFFAOYSA-N 422.847 5.460 0 40 HKAB CCc1cc(C(=O)Nc2ccc(C)cc2C)c2c(C3CC3)nn(-c3ccccc3)c2n1 36621724 ICZYVOBWQVVAPT-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB O=c1[nH]c(SC/C(=C\Cl)Sc2ccccc2)nc2sc3c(c12)CCCC3 36625367 BGGRLSWEOMUGLS-JLHYYAGUSA-N 421.012 5.828 0 40 HKAB CC1=C[C@]2(Nc3cc(C)cc(Br)c3O2)c2c(C)nn(-c3ccccc3)c2O1 40545477 OWWSHYWKTAJFGY-OAQYLSRUSA-N 424.298 5.205 0 40 HKAB Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1C 44856374 DACORYALTVBINE-KRWDZBQOSA-N 402.941 5.185 0 40 HKAB CSC(SC)=C1CCC[C@@H]2C1=NN(C(=O)c1ccccc1)[C@H]2c1ccccc1 51329761 IISJHRJUPUHURQ-NQIIRXRSSA-N 408.592 5.977 0 40 HKAB Cc1ccc(C)c(NC(=O)CSCc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 57993146 BXIHXZLAVUMRSU-UHFFFAOYSA-N 421.444 5.244 0 40 HKAB CN(c1ccc(Br)cc1Cl)S(=O)(=O)/C=C/c1ccc(Cl)cc1 58281508 AEKYEKXWVGBUGH-CMDGGOBGSA-N 421.143 5.193 0 40 HKAB CCOc1cc(CNc2ccccc2Cl)ccc1OCc1ccccc1Cl 59056035 BHFTXZMYIKOPHQ-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1Cc1ccccc1 72215208 OEMYVDDLKDVNLN-UGKGYDQZSA-N 409.574 5.959 0 40 HKAB COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 72349025 JQZSLPRVTSJJLT-NRFANRHFSA-N 400.522 5.096 0 40 HKAB CC(=O)N1CC[C@H](c2c(C(=O)N3CCC4(CCCCC4)C3)sc3ccccc23)C1 72352590 RGWRIBGCWDTMFG-SFHVURJKSA-N 410.583 5.034 0 40 HKAB Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)CCc2ccccc2)n1 72376912 IUMBDJFFLGKSQL-NRFANRHFSA-N 420.944 5.066 0 40 HKAB Cc1ccc2nc([C@H]3CCCN(C(=O)c4sc(-c5ccc(C)o5)nc4C)C3)[nH]c2c1 89657587 CWASHESXFHIAAG-INIZCTEOSA-N 420.538 5.224 0 40 HKAB Cc1ccc([C@H]2CC3=Nc4ccccc4N4C(=O)c5ccccc5[C@@H]4C3=C(O)C2)cc1 100424176 RUYMIXHFMUVAQO-HFJWLAOPSA-N 406.485 6.172 0 40 HKAB Cc1ccccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 101485423 INDVPNLGCUYICS-OYRJNNPGSA-N 408.545 6.544 0 40 HKAB COC(=O)c1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3onc(C)c32)cc1 102716798 BIVOGBXJSZWKPB-XMSQKQJNSA-N 414.461 5.377 0 40 HKAB Cc1ccc(C)c(NC2=C[C@H](c3ccc(F)cc3)N(c3cc(C)ccc3C)C2=O)c1 103670339 DALUQYVXUUIISZ-RUZDIDTESA-N 400.497 6.143 0 40 HKAB CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccc(F)c1 104006281 YPTGHFAGSNAJAG-HSZRJFAPSA-N 406.501 6.274 0 40 HKAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3ccccc3Oc3ccccc3)c2)n1 170564654 VJPFPCDFNBMYET-UHFFFAOYSA-N 410.477 5.882 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccc(F)cc1 195528901 YVTJBQMCEPLZNF-WFRHZZSGSA-N 404.462 5.898 0 40 HKAB CC[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(OC)cc1 219845679 ABURQKIGLQTVGZ-QHCPKHFHSA-N 409.913 5.809 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 222938409 MGJAASJFHFLMBO-FGZHOGPDSA-N 409.570 5.869 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1C(C)C 223319976 PJGKSKZVKDCXDT-ROUUACIJSA-N 417.977 6.042 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c(C)c1 224112116 FGLKEFGTJORTGF-OSVNEOKWSA-N 404.535 5.013 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1cc(C)cc(C)c1C 224280231 XWMDTWJSPFXUED-UHFFFAOYSA-N 417.505 5.654 0 40 HKAB COc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)cc1 225340454 SBMRWFKMPBWQRM-UHFFFAOYSA-N 401.384 5.222 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCc4ccccc4)c(C)c3)CCCCC2)cc1 225543389 GIDNUQOOOBXOSF-UHFFFAOYSA-N 413.561 6.723 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 225679986 NVODKCRNTSRMFQ-IBGZPJMESA-N 423.582 5.019 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1cccc(Br)c1 225685672 LFBYUDBEEZPEJX-INIZCTEOSA-N 421.360 5.047 0 40 HKAB CCOc1cc(C(=S)NCc2ccc(OC)cc2)ccc1OCc1ccccc1 408578623 ZIQZNZJNDKIVCY-UHFFFAOYSA-N 407.535 5.138 0 40 HKAB CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O 408600200 WUMZTOTTXINOLZ-DJKKODMXSA-N 419.905 5.750 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1OCC 408617096 BOUUNCVPTWJQNG-UHFFFAOYSA-N 419.521 6.617 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3C)n2)cc1 408694966 MYZKTTUUNQGLAT-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 409084365 CRFWTIXZUXBTPJ-RQZCQDPDSA-N 408.306 5.629 0 40 HKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2CC(C)C)c(C)c1 409114116 ISGWCPUMPDPIIG-UHFFFAOYSA-N 408.571 5.257 0 40 HKAB CCOc1ccc(C[C@]2(C)CCc3ccc(-c4cccc(C(=O)O)c4)cc3O2)cc1 585265435 DHKICSKHMGJNRP-SANMLTNESA-N 402.490 5.777 0 40 HKAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 636222 JPZHKTDOUMSRTO-MRXNPFEDSA-N 406.869 5.124 0 40 HKAB Cc1ccc(-c2nc(-c3ccc4c(c3)n(C)c(=O)n4C)[nH]c2-c2ccc(C)cc2)cc1 704241 LSGMRDSMYIQGLR-UHFFFAOYSA-N 408.505 5.218 0 40 HKAB CC(C)N1C(=S)SC(C)(C)[C@H]1N(O)C(=O)Nc1ccc(Cl)cc1Cl 711768 OEHJUEXRJWSZDI-GFCCVEGCSA-N 408.376 5.063 0 40 HKAB CC1=C(C(=O)OC2CCCCCCC2)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 716316 QYKCFJREEHPXAM-SFHVURJKSA-N 411.329 5.277 0 40 HKAB CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(C)c(NC(=O)c3ccccc3Cl)c2)c1C 892061 ZIVLVLXZOKNOFW-UHFFFAOYSA-N 422.912 5.713 0 40 HKAB COCCOC(=O)c1c(C)oc2ccc(OCc3ccc(Cl)c(Cl)c3)cc12 1797712 SPZXTSYQSNEEGL-UHFFFAOYSA-N 409.265 5.430 0 40 HKAB biogenic O=c1oc2cc(OCc3ccc(Br)cc3)c(Cl)cc2c2c1CCCC2 1808502 GYGGEXDOSHRMHZ-UHFFFAOYSA-N 419.702 5.667 0 40 HKAB O=c1c2c3c(sc2nc(SCc2ccccc2)n1-c1ccccc1)CCCCC3 2066418 ICBBQNAFEJHWBJ-UHFFFAOYSA-N 418.587 6.008 0 40 HKAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3ccc(C(C)(C)C)cc3)ccc12 2094129 OGYNSERDTRJXNC-UHFFFAOYSA-N 408.494 5.304 0 40 HKAB biogenic COc1cccc(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 2308973 AJLVPVZYBOSLSO-UHFFFAOYSA-N 420.896 5.195 0 40 HKAB c1ccc2c(c1)ccc1nc(CCCCc3nc4ccc5ccccc5c4s3)sc12 2679961 XKQBGSRIPPNMPX-UHFFFAOYSA-N 424.594 7.778 0 40 HKAB O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)c1ccccc1 3247825 QOSCMHCWFGFERF-UHFFFAOYSA-N 407.878 5.656 0 40 HKAB CC(=O)Oc1ccc2c(=O)c(-c3ccc4ccccc4n3)c(C(F)(F)F)oc2c1C 3262687 OYVULYMUZKAEPL-UHFFFAOYSA-N 413.351 5.261 0 40 HKAB CC(C)N(C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1)C(C)C 3272643 QOWNKCMXATXQKZ-UHFFFAOYSA-N 418.582 5.327 0 40 HKAB Cc1cc(C)cc(-n2c(SCc3ccc(Cl)cc3)nc3ccccc3c2=O)c1 3316803 KHIKTIJEHAVFCV-UHFFFAOYSA-N 406.938 5.948 0 40 HKAB O=C(CSc1cn(Cc2ccc(Cl)cc2)c2ccccc12)N1CCCCCC1 3581824 YJZDLHCRZYPPAX-UHFFFAOYSA-N 412.986 5.838 0 40 HKAB CC(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 4069870 GROJCHRTOOEUOE-UHFFFAOYSA-N 414.486 6.057 0 40 HKAB C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 4321295 BLKGOEBISCPGCY-KKSFZXQISA-N 412.942 5.481 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1 4613991 OBNXTGOLGSFMQM-UHFFFAOYSA-N 416.546 6.703 0 40 HKAB CCCOC(=O)c1ccc(Cl)c(NC(=O)CC(c2ccccc2)c2ccccc2)c1 4659981 MPWCNKHMMFCOCZ-UHFFFAOYSA-N 421.924 6.068 0 40 HKAB COc1cc2c(cc1OC)[C@H]1CCCC[C@H]1O[C@H]2c1ccc(Br)cc1 4783755 ONNBSYIGYVFIKL-FPDPHYFHSA-N 403.316 5.612 0 40 HKAB O=C(CSc1nnc(-c2ccoc2)c(-c2ccoc2)n1)c1ccc2ccccc2c1 4993622 HIEUEXHGDZVTFD-UHFFFAOYSA-N 413.458 5.520 0 40 HKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc3ccccc3o2)cc1 5035562 RGQOWNPMXVKZJK-UHFFFAOYSA-N 410.429 5.992 0 40 HKAB aggregator CC(C)(C)OC(=O)[C@@H](c1ccccc1)[C@H](Nc1ccccc1Cl)c1ccccc1 5379722 AHOMQLGDWNVYHX-XZOQPEGZSA-N 407.941 6.619 0 40 HKAB CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2OCC)cc1 5485398 SEKZDOVXDDHTAY-GOSISDBHSA-N 413.514 5.228 0 40 HKAB Cc1sc2ncnc(SCC(=O)N3CC[C@@H](C)Sc4ccccc43)c2c1C 6113069 TYTXVUXEXRNXAW-GFCCVEGCSA-N 415.609 5.318 0 40 HKAB Cc1ccc([C@H]2C[C@@H]2c2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)cc1 6923608 YYJZSGGIAMLBNS-QRQLOZEOSA-N 416.594 6.070 0 40 HKAB Cn1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 7367616 KVFKPFLOECOHEU-JTUXUYRKSA-N 409.514 5.987 0 40 HKAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(Oc2ccccc2)cc1 7471488 BBAZIXLXIZUYAM-MRXNPFEDSA-N 416.506 5.383 0 40 HKAB c1csc(Cc2nnc(SCc3nc4ccccc4o3)n2C2CCCCC2)c1 7735590 YBPHJPGCEQSFNJ-UHFFFAOYSA-N 410.568 5.869 0 40 HKAB CCCc1cc(-c2nc(-c3ccc(OC(=O)c4ccc(C)cc4)cc3)cs2)ccn1 8040494 LEJLAKUGPMMWJA-UHFFFAOYSA-N 414.530 6.352 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc2ccccc2c1 8781227 ZUFGBRVEJOBNSS-UHFFFAOYSA-N 421.525 6.063 0 40 HKAB O=C(O)[C@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)Nc1cccc2ccccc12 8783142 HRFFRKOABNIECS-MOPGFXCFSA-N 412.898 5.226 0 40 HKAB CC(=O)c1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 9683252 RFUPWQFSWBJJOY-NRFANRHFSA-N 403.869 5.794 0 40 HKAB Cc1ccc(SCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 10335076 QSCQEOWAGGNQEJ-UHFFFAOYSA-N 417.574 6.254 0 40 HKAB C[C@@H](c1ccccc1)N(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 10431576 YKQWYWDLKSORBH-FQEVSTJZSA-N 410.517 6.161 0 40 HKAB O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc(Cl)cc1 12374569 UBCQNAYMIJJLRK-ATNYCFDYSA-N 401.293 5.009 0 40 HKAB C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(Cl)cccc2Cl)o1 12418108 VFOHGJUSFZQIFJ-SECBINFHSA-N 404.319 5.254 0 40 HKAB Cc1cc(C)cc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)nsc23)c1 12474406 DMIGAWZKNKICCT-UHFFFAOYSA-N 424.526 5.240 0 40 HKAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(Br)cc2)cc1 12790064 WBCHGDLRXOLPGD-UHFFFAOYSA-N 401.329 5.371 0 40 HKAB CC(=O)c1ccc(-c2ccc(C(=O)OCc3cc(-c4ccc(Cl)cc4)no3)o2)cc1 12983896 NCNDOMFQDDMKAV-UHFFFAOYSA-N 421.836 5.815 0 40 HKAB Cc1sc2nc(CSc3ccc(Cl)cc3)nc(Sc3ncn[nH]3)c2c1C 13039332 FFUWAKHAYSQFQP-UHFFFAOYSA-N 419.988 5.523 0 40 HKAB CCCN(CCC)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cc(C)cc2Cl)c1 14669042 OYWJGFBMYUXTLA-UHFFFAOYSA-N 422.978 5.020 0 40 HKAB COc1ccc(/C=C\c2nc3ccccc3nc2OCC(=O)c2ccc(C)c(C)c2)cc1 14943522 SJWURXSJUZWQTQ-PTNGSMBKSA-N 424.500 5.687 0 40 HKAB O=C1/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)NC(=S)N1c1ccccc1 16790634 CGNNPXFTDUQHCC-GZTJUZNOSA-N 415.301 5.516 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1 17092128 BZSBNNWAFYWELK-UHFFFAOYSA-N 420.378 5.468 0 40 HKAB CCn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1-c1ccccc1Cl 19928294 VMPQZWVTEHQIMX-UHFFFAOYSA-N 415.881 5.100 0 40 HKAB O=C(CSCc1ccccc1Cl)NCCSCc1ccc(Cl)cc1 20237998 LGDMEMXGJLILJI-UHFFFAOYSA-N 400.396 5.276 0 40 HKAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1 23055389 FHVYBWZCDROMHA-INIZCTEOSA-N 403.526 5.027 0 40 HKAB Cc1ccc(Cn2c([C@H]3CC(=O)N(c4cc(C)ccc4C)C3)nc3ccccc32)cc1 27789039 QZCLUBNQRFYGLJ-QFIPXVFZSA-N 409.533 5.530 0 40 HKAB O=C(c1sc(-c2ccco2)nc1-c1ccccc1)N1CCC[C@H](C(F)(F)F)C1 29550893 FFKAEIKUKAZABC-AWEZNQCLSA-N 406.429 5.485 0 40 HKAB C[C@@H](NC(=O)CCCc1nc(-c2cccs2)no1)c1cccc(C(F)(F)F)c1 31698311 NTIAQVDICRFWIX-GFCCVEGCSA-N 409.433 5.017 0 40 HKAB Cc1c(-c2ccc(Cl)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1cccc(Cl)c1 32104612 LPFQIPUNKPBYKF-MRXNPFEDSA-N 415.280 5.337 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)n2)cc1 32578461 BVZYPKQVFUQDDC-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB O=C(Nn1cnc2ccccc21)c1ccccc1Nc1ccc(SC(F)F)cc1 32855779 KYYFVJGUOGJVSQ-UHFFFAOYSA-N 410.449 5.479 0 40 HKAB CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccccc1C 33722497 ZDJUQLUFXPEZNR-UHFFFAOYSA-N 418.537 5.586 0 40 HKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H](C)C[C@H]4CCC[C@@]3(O4)C(=O)C[C@]21C 36372117 HXZHKSJRLUJGSY-LOCWFNCQSA-N 404.591 5.325 0 40 HKAB CCOc1c(Br)cc(CNc2ccc(C)c(C)c2)cc1Br 37202266 KOEFNARNBFJVCU-UHFFFAOYSA-N 413.153 5.839 0 40 HKAB COc1cccc2cc(C(=O)NCC3CCC(c4nc5ccccc5[nH]4)CC3)oc12 38671605 ZRWVVSZDWWTKFC-UHFFFAOYSA-N 403.482 5.022 0 40 HKAB Cc1ccc2c(Nc3ccc(OC(F)(F)F)cc3)c(C(=O)OC(C)C)cnc2n1 49004504 ISAUFFXFFNITDV-UHFFFAOYSA-N 405.376 5.146 0 40 HKAB Cc1ccc2c(Nc3ccc(Br)cc3)c(C(=O)OC(C)C)cnc2n1 49004506 CYXSOSJIMNWBLF-UHFFFAOYSA-N 400.276 5.010 0 40 HKAB COc1ccc(CN2COc3ccc4c(=O)c(-c5ccccc5)c(C)oc4c3C2)cc1 54313309 AWTISNRANUBVEC-UHFFFAOYSA-N 413.473 5.129 0 40 HKAB biogenic COc1ccc(-c2noc(CN(C)[C@@H](c3ccccc3)c3ccc(F)cc3)n2)cc1 57863737 FCHNODSLOMPRAJ-QHCPKHFHSA-N 403.457 5.106 0 40 HKAB CC(C)c1ccccc1NC(=O)CSc1nccn2nc(-c3cccs3)cc12 67290229 CYHYSWMFHCVSDD-UHFFFAOYSA-N 408.552 5.312 0 40 HKAB CC(C)c1ccc(OCCc2cc([C@H]3CCN(C(=O)CC4CCCC4)C3)n[nH]2)cc1 72371406 MTVVHMWTGIAMNI-NRFANRHFSA-N 409.574 5.051 0 40 HKAB COc1cccc(-c2ccc3cc(C(=O)Nc4ccnc(C)c4)c(-c4cocn4)n3c2)c1 96155544 ZDNOBIIGMLGZKR-UHFFFAOYSA-N 424.460 5.226 0 40 HKAB CC1(C)[C@H]2C[C@@H](C(=O)O)[C@@](C)(NC(=O)OCC3c4ccccc4-c4ccccc43)C[C@@H]21 100396533 CQIJGQLLPQKSSM-YGWSKSRPSA-N 419.521 5.051 0 40 HKAB COc1ccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3ncnn32)cc1OC 101240249 RXEHQBJMEREHMZ-JOCHJYFZSA-N 410.477 5.018 0 40 HKAB O=C(NCCSCc1ccc(Cl)cc1)c1cccc(OCc2ccccc2)c1 218975968 IPFSDVVRFZUTLA-UHFFFAOYSA-N 411.954 5.582 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C)c1ccccc1 222546187 NQVGBTFSSWOZIP-NCJDQSJGSA-N 404.535 5.095 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1Cl 222843326 REIWGSAWDNYDTD-MRXNPFEDSA-N 414.933 5.117 0 40 HKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 223036015 ZENHXNMUSQAFQL-JOCHJYFZSA-N 422.613 5.385 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 223666293 QETBCDAUEBVXES-ZEQRLZLVSA-N 417.549 6.196 0 40 HKAB CCN(c1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1)S(=O)(=O)c1ccccc1 224359719 YEMMYVQYCNBTKT-UHFFFAOYSA-N 422.550 5.079 0 40 HKAB CCN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224622974 WCMHWXTUJWADDZ-UHFFFAOYSA-N 408.734 5.179 0 40 HKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)ccc1F 224895382 NXCNZGFHFXPDKT-SFTDATJTSA-N 408.546 5.263 0 40 HKAB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)NCc1ccnc(-c2ccsc2)c1 225755475 CXKZTNPVWWZWHP-UHFFFAOYSA-N 424.875 5.731 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCC(C)C)c(C(=O)OCC)c2)CCCCCC1 225852671 WEFDFWVWWZJJQB-UHFFFAOYSA-N 419.562 5.356 0 40 HKAB Cc1cc2[nH]c(-c3cccc(-c4nc5cc(Cl)c(C)cc5[nH]4)c3)nc2cc1Cl 226237294 KVRWAWYUCGOOLA-UHFFFAOYSA-N 407.304 6.697 0 40 HKAB O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccc4ccccc4c3)C2)no1 257238152 HJUQFZYXQRCILV-QFIPXVFZSA-N 417.553 5.270 0 40 HKAB O=C(O)/C(=C/c1ccc(OCc2ccccc2F)cc1)Sc1nc2ccccc2[nH]1 408633258 JKZQBQDVGVDQDC-BKUYFWCQSA-N 420.465 5.499 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2cccc(Cl)c2)cc1 408697159 FKEMFLWHWCIHID-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB CCOc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 408814676 PXIGGLFFQDTSOM-XDQGBWCSSA-N 421.586 6.139 0 40 HKAB Cc1cccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccc(Cl)cc2)c1 409098709 OUPZTOAPEIUPCY-UHFFFAOYSA-N 409.917 6.328 0 40 HKAB O=C1Nc2ccccc2S/C1=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1 409104292 HIBXWLOXSCLMFN-BKUYFWCQSA-N 403.459 5.049 0 40 HKAB COc1ccc(CNC(=O)c2c(C)c(-c3ccc(OC)cc3)nc3ccccc23)cc1 670730 QIIODJKAGIVDRT-UHFFFAOYSA-N 412.489 5.157 0 40 HKAB COc1ccc2cc([C@H]3Nc4ccccc4C(=O)N3c3ccccc3)c(Cl)nc2c1 717647 RHGIAUDSHVHYIO-QHCPKHFHSA-N 415.880 5.668 0 40 HKAB Cc1ccc(-c2cc(C(=O)NCCc3cccc(Cl)c3)c3ccccc3n2)cc1 997496 NCAFBSZXIYASAC-UHFFFAOYSA-N 400.909 5.836 0 40 HKAB CCCc1nc(SCC(=O)N2c3ccccc3C[C@H]2C)c2c(C)c(C)sc2n1 1372202 LSZQUPRZSNNOKU-CYBMUJFWSA-N 411.596 5.331 0 40 HKAB O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1)NCc1cccs1 1406396 XUWKNVORHLFMEP-DHZHZOJOSA-N 401.890 5.449 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1sc2nc(-c3ccc(C)cc3)ccc2c1N 1472112 SFCBOSCNFITERC-UHFFFAOYSA-N 423.925 5.768 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)cc1 2085953 ZVGLPMADLOICEO-INIZCTEOSA-N 400.547 7.038 0 40 HKAB CCOc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccc(C)cc2)cc1 2686785 QKNIKZMOKYPJKL-IZHYLOQSSA-N 419.502 5.205 0 40 HKAB COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1cccs1 2889636 FNOVHKFQRCFDAB-UHFFFAOYSA-N 422.325 5.278 0 40 HKAB O=C(Nc1cc(OC(=O)c2ccc(Cl)cc2)ccc1Cl)c1ccc(Cl)cc1 3085275 LSDVHRXBBCRTRS-UHFFFAOYSA-N 420.679 6.118 0 40 HKAB CCOC(=O)[C@@H](C)Sc1cc(CSc2ccccc2)nc(-c2ccccc2)n1 3104489 GYXKBAPQLSOWJR-MRXNPFEDSA-N 410.564 5.480 0 40 HKAB Cc1sc2nc(CN3CCCC3)nc(NCCc3ccc(Cl)cc3)c2c1C 3357572 UGDZLGAZWSHETJ-UHFFFAOYSA-N 400.979 5.212 0 40 HKAB Cn1c(-c2ccc(Br)cc2)cnc1NCc1ccc(C(F)(F)F)cc1 4678176 UHFUBWBTBDYNQD-UHFFFAOYSA-N 410.237 5.481 0 40 HKAB COCCN(C(=O)c1ccc(C)cc1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880728 COTXPKNDSFJXLU-UHFFFAOYSA-N 409.555 5.104 0 40 HKAB COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3cc(C)ccc3C)C[C@H]21 4908122 WBQGKBLODROXBD-HSZRJFAPSA-N 419.569 5.056 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c12 5274816 MLQQKOGJOJQFPH-UHFFFAOYSA-N 405.782 6.207 0 40 HKAB O[C@@]1(C(F)(F)F)[C@H]2CCCCCC2=NN1c1nc(-c2ccc(Cl)cc2)cs1 5275055 PMFZIXADCAPVCH-SUMWQHHRSA-N 415.868 5.471 0 40 HKAB Cc1ccc([C@H](Nc2ccccn2)c2c(NC(=O)c3ccco3)sc(C)c2C)cc1 5739340 ZFXXGBLYTFMAIH-QFIPXVFZSA-N 417.534 6.115 0 40 HKAB C[C@H](CCOC(=O)/C=C/c1ccccc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 5881266 BQTJPWNKVBLPMO-JKIKYLSZSA-N 408.582 6.737 0 40 HKAB CCN1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N/c1ccc(OC)cc1 6954371 DZXMPEJAWKPOGB-ASAQIREPSA-N 424.566 5.760 0 40 HKAB Cc1cc(-c2ccc(Br)cc2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 7604617 INXDOPXCXXSAJM-UHFFFAOYSA-N 412.718 6.096 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c(C)c1 8041455 MAKSFZCGGSDMIS-WOJBJXKFSA-N 416.521 5.200 0 40 HKAB Cc1nc(-c2ccc(NC(=O)c3ccccc3SC[C@H]3CCCO3)cc2)cs1 8129753 KOSBOZGZEJVDNI-GOSISDBHSA-N 410.564 5.642 0 40 HKAB O=C(Nc1cccc(Oc2ccccc2)c1)C1CCN(C(=O)c2ccc(F)cc2)CC1 8133644 HGEZURYNXZKSFH-UHFFFAOYSA-N 418.468 5.109 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)cc1OCC 8345421 IQJCMBYAVHSKDX-UHFFFAOYSA-N 405.494 6.309 0 40 HKAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c1C 9019582 QSUXZVYEBPYHMO-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB COc1ccccc1-c1coc2c3c(ccc2c1=O)OCN(c1cccc(Cl)c1)C3 9422735 AFHUDMMZTBAIAX-UHFFFAOYSA-N 419.864 5.479 0 40 HKAB biogenic S=C(Nc1ccccc1Cl)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 9876709 ZBRXAWFOJRNXHT-UHFFFAOYSA-N 400.762 5.166 0 40 HKAB CC1=CC(C)(C)N(C(=O)CSc2nnc(-c3ccccc3)o2)c2cc(C)ccc21 10157747 NDOXVXDLNAFDRO-UHFFFAOYSA-N 405.523 5.366 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc2cc(C)c3cccc(C)c3n12 11903177 JTOHAKWVHZEKPK-UHFFFAOYSA-N 410.930 5.192 0 40 HKAB Cn1cc(Cl)c([C@@H]2CCCCCN2C(=O)c2cc(-c3cccc(Cl)c3)on2)n1 12133811 ASNQZYUHKXVFOD-KRWDZBQOSA-N 419.312 5.139 0 40 HKAB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(-c2nc3ccccc3s2)s1 12378202 FHWAEGSKTLQMLM-UHFFFAOYSA-N 411.508 6.026 0 40 HKAB C[C@@H](NC(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)c1ccncc1 12508738 SIJLNVDNBKOYSE-OAHLLOKOSA-N 405.448 5.318 0 40 HKAB O=c1c2c(-c3ccccc3)csc2nc2n1N=C(c1cc3ccccc3o1)CS2 13109115 MSNQMVMJXHWHCC-UHFFFAOYSA-N 415.499 5.229 0 40 HKAB CC(C)C[C@H](NC(=O)Cn1c(-c2ccc(Cl)cc2)n[nH]c1=S)c1ccccc1 14197333 FZNCRLOJBIHZEX-SFHVURJKSA-N 414.962 5.165 0 40 HKAB CC(=O)c1ccc(OCCCC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1 14197997 PFTHXKYIVJAZLD-RUZDIDTESA-N 419.546 5.284 0 40 HKAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccccc1-c1cccs1 14704912 IQZPOIYHAVHZMF-ZDUSSCGKSA-N 402.313 5.584 0 40 HKAB O=C(CSc1nnc(C2CCCCC2)o1)Nc1c(Cl)cccc1C(F)(F)F 15277882 AMLORYZVWKIXHC-UHFFFAOYSA-N 419.856 5.520 0 40 HKAB Cc1ccc(N2CC(=O)N(c3ccc(C)cc3)[C@@H](c3ccc(C(C)C)cc3)C2=O)cc1 15413440 QXILEWXBCBCMHG-SANMLTNESA-N 412.533 5.548 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(CN4CCCC4=O)cc3)ccc21 15601167 KWPZUXZFERLBKW-UHFFFAOYSA-N 411.505 5.189 0 40 HKAB O[C@@H](CNCc1cc(Cl)ccc1OCc1ccccc1Cl)c1ccccc1 16477434 ZOQGVUNIJPBTGE-NRFANRHFSA-N 402.321 5.396 0 40 HKAB CCCOc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)c1 20672403 USBBTZWBJIKZDP-QFIPXVFZSA-N 405.498 5.066 0 40 HKAB C[C@@H](CNC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)c1ccccc1 21905863 AFSNHCDHBLMUDE-FDDCHVKYSA-N 420.940 5.121 0 40 HKAB Cc1nc(S[C@H](C)C(=O)N(C)Cc2cccc(F)c2)n(C2CCCCC2)c1C 24932936 XUMRIXBYHSWFMN-QGZVFWFLSA-N 403.567 5.283 0 40 HKAB COc1ccc([C@@H]2C(CN3CCOCC3)=C(c3cccs3)Oc3ccccc32)cc1 25178230 URUPYTQUYKECIT-DEOSSOPVSA-N 419.546 5.025 0 40 HKAB Cc1nc(COc2ccc3ccccc3c2)sc1C(=O)Nc1ccc(Cl)cc1 27912801 WWMJHRYFEQKCIU-UHFFFAOYSA-N 408.910 6.089 0 40 HKAB CCOc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C 31904059 KJRXPGZUYGLXLE-UHFFFAOYSA-N 409.551 5.093 0 40 HKAB CC(C)(C)c1cc(NC(=O)c2ccccc2C(F)(F)F)n(-c2ccc(F)cc2)n1 32832904 YLWIFVHKCAYOMQ-UHFFFAOYSA-N 405.395 5.580 0 40 HKAB CC(C)c1ccccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 34736970 BYUGQRCNFLROLC-UHFFFAOYSA-N 423.390 6.458 0 40 HKAB CC(C)c1cc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2)cc(C(C)C)c1O 35615722 YHLUAOVQKINYMU-UHFFFAOYSA-N 419.956 7.351 0 40 HKAB COc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)cc1OC 35615867 SJFHSDARXLVBSU-UHFFFAOYSA-N 423.856 5.144 0 40 HKAB CCc1c(-c2ccc(OC)cc2)nn(-c2ccc(C)c(C)c2)c1-c1ccc(OC)cc1 36611261 RLVRMHGPUGZDBG-UHFFFAOYSA-N 412.533 6.403 0 40 HKAB O=C(Cn1nc(-c2ccc(Cl)cc2)c(Cl)c1-c1ccc(Cl)cc1)NC1CC1 36611612 WGUMEVQTPZCHOA-UHFFFAOYSA-N 420.727 5.456 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 44839424 FVXZSDXKULZKTP-UHFFFAOYSA-N 417.505 5.485 0 40 HKAB CN(C)c1ccc(NC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)cc1 64472742 QMRPBHHJOVLHII-UHFFFAOYSA-N 421.953 6.178 0 40 HKAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccc(OCc3ccccc3F)cc2)S1 85412258 LYJNKEJWRFZTBD-HXUWFJFHSA-N 411.502 5.362 0 40 HKAB CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 101031908 NEMDWVAFHRGICR-XIOXLVNTSA-N 414.933 5.169 0 40 HKAB CC1(C)CC2=NC(Nc3nc4ccccc4o3)=N[C@H](c3cccc(Cl)c3)C2=C(O)C1 102659971 DWFWSHCRBJHSKS-HXUWFJFHSA-N 420.900 6.077 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223346259 MHTUCCWSUXANJM-ZHRRBRCNSA-N 420.018 6.529 0 40 HKAB COc1ccc(/C=C(/C(=O)NCCOc2ccc3ccccc3c2)c2ccccc2)cc1 223582636 ACHUOLOYYPCQRU-ZXVVBBHZSA-N 423.512 5.584 0 40 HKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(CC)c2C)cc1 223793453 MCLCLLHASUDQDO-GOTSBHOMSA-N 420.582 5.096 0 40 HKAB Cc1nc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)ccc1Br 223981268 HDWZNDJTGYJRHL-UHFFFAOYSA-N 422.367 5.090 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)c1 224242131 UTVYKSPOCCNKIC-DNQXCXABSA-N 416.594 5.874 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1C 224276913 FDMXRILSSMCCPL-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(C)(C)Oc2ccc(C)cc21 224560503 YADMMEQWJBAAJD-GOTSBHOMSA-N 407.554 5.450 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225022233 AQSIMOLTSCPKMK-IBGZPJMESA-N 409.555 5.607 0 40 HKAB S=C(NCc1ccc(Cl)cc1Cl)Nc1ccc(Oc2ccccc2)nn1 225187788 KXNQTTGVDQAOJW-UHFFFAOYSA-N 405.310 5.062 0 40 HKAB Cc1ccc([C@@H](NC(=S)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c(C)c1 225767519 IRIPQHWTQOVLME-NRFANRHFSA-N 414.496 6.398 0 40 HKAB CCc1ccc(-c2csc(NC(=O)[C@H]3[C@H]4CC[C@@H](C4=C(C)C)[C@H]3C(=O)O)n2)cc1 245240855 UKJGSAZZKIRXKP-CPLUKWAASA-N 410.539 5.004 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CC[C@@]4(C)C[C@H](O)CC[C@]34C)[C@@H]1C[C@H](CN1CCCCC1)C2=O 253617612 YHCZRFRDIZKNKD-DQDZBENBSA-N 401.635 5.061 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OCC)c2)CCC[C@H](C)C1 260838328 QYDMAFWGCGQNJD-LLJLJFOGSA-N 419.562 5.355 0 40 HKAB S=C(c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl)N1CCCCC1 408572365 GLNPYUXDKVBJST-UHFFFAOYSA-N 414.785 6.387 0 40 HKAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc1 408628970 YVMWHXFNFXHDIL-QGZVFWFLSA-N 403.551 5.345 0 40 HKAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(Cl)cc1Cl 408668502 LUZOXLKFRCRKSV-UHFFFAOYSA-N 416.260 5.581 0 40 HKAB COc1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1 408974177 WLLGRZBTZJIFRK-LZYBPNLTSA-N 409.294 5.108 0 40 HKAB COc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1F 409116291 IRSGGPIJNSKATM-UHFFFAOYSA-N 420.311 6.641 0 40 HKAB Fc1cccc(Cn2cc(C(=S)N3CCc4ccccc4C3)c3ccccc32)c1 409196351 UCICODWNGSFZLN-UHFFFAOYSA-N 400.522 5.563 0 40 HKAB CC1(C)[C@@H](O)CC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@H]2CC[C@H]2[C@H]([C@@]3(C)CCC(=O)O3)CC[C@@]21C 1078028122 AHDUWGQSZYSNEY-VKJJNPHWSA-N 416.646 6.128 0 40 HKAB biogenic COc1ccc(-c2ccc3c(N)c(C(=O)NCc4ccc(Cl)cc4)sc3n2)cc1 661550 NPXAYALGNZFOHV-UHFFFAOYSA-N 423.925 5.138 0 40 HKAB O=C(O)c1nc(NC[C@@H]2c3ccccc3CSc3ccccc32)c2ccccc2n1 722211 ITKIBTKOQKQUMW-LJQANCHMSA-N 413.502 5.178 0 40 HKAB Cc1cccc(C(=O)c2cccc(NC(=O)c3ccccc3Br)c2)c1C 838245 LOHZXBHVFALKHK-UHFFFAOYSA-N 408.295 5.549 0 40 HKAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 954857 VBBGEYCNOKFVFX-UHFFFAOYSA-N 415.470 5.171 0 40 HKAB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)Nc1ccccc1 985522 MDUHTDNSQUPAEL-UHFFFAOYSA-N 414.577 6.502 0 40 HKAB Cc1cc(C)c2cc(CN(CCc3ccccc3)C(=O)c3ccccc3)c(=O)[nH]c2c1 1366431 STMBGWVYBCJZJU-UHFFFAOYSA-N 410.517 5.030 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3ccc(Br)cc3)n2)cc1C 1510621 WRPGPASTESQTPH-UHFFFAOYSA-N 403.301 5.142 0 40 HKAB CCCCCC[C@@H](C)OC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O 2062858 DVLNAWXETKDMJN-OAHLLOKOSA-N 413.901 5.656 0 40 HKAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2cccs2)N1c1ccc(N(C)C)cc1 2137502 JSTDCJQVOLSWRR-QFIPXVFZSA-N 424.957 5.395 0 40 HKAB CC1(C)Cc2c(sc3nc(-c4ccccc4)nc(SCc4ccccc4)c23)CO1 2334533 FXMHIAOEFKANOS-UHFFFAOYSA-N 418.587 6.502 0 40 HKAB CC(C)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2440815 HNLUGXCKFNPGFD-JOCHJYFZSA-N 417.436 5.394 0 40 HKAB Cc1cnc(NC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)s1 2640333 IMTQPZITKIQDOZ-UHFFFAOYSA-N 424.323 5.682 0 40 HKAB O=C(C[C@@H](Nc1cccc(Cl)c1)c1ccc(Br)cc1)c1ccccc1 3096290 OQTXRMQEWWBPHX-HXUWFJFHSA-N 414.730 6.529 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 3237120 YIQZLEJVUPTBII-IBGZPJMESA-N 401.506 5.514 0 40 HKAB O=C(O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)C1CCCCC1 3250594 ZRYRQVZZZDZAFS-IBGZPJMESA-N 406.309 5.797 0 40 HKAB Cc1ccc(C)c(-n2c(SC(F)F)nc3cc(-c4ccccc4)sc3c2=O)c1 3313593 ZRRIOZLJOYPTAD-UHFFFAOYSA-N 414.502 6.046 0 40 HKAB O=C(CSc1ccccc1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 4304719 OCRFTUGAWQDHPM-UHFFFAOYSA-N 409.511 5.156 0 40 HKAB Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)cc1 4412271 AETICDFHYBHNAP-UHFFFAOYSA-N 406.938 5.699 0 40 HKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c(C)c1 4548633 OHQUUUDZBUIXSF-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2Cl)cc1)c1ccc(C(F)(F)F)cc1 4761311 OEOPQTPGUNJSKS-UHFFFAOYSA-N 405.803 6.190 0 40 HKAB O=C(CSc1ncnc2c1cnn2Cc1ccccc1)c1ccc2ccccc2c1 5477712 OBKUQJGINVQXOM-UHFFFAOYSA-N 410.502 5.003 0 40 HKAB c1ccc(-c2nnc(CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)o2)cc1 5775552 USWQNCRNWBDKTD-UHFFFAOYSA-N 411.486 6.351 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 5951681 DBOXUSXKPRJNLF-UHFFFAOYSA-N 414.505 6.543 0 40 HKAB COC(=O)[C@@H]1CCCCc2c1nc1ccc(Cl)cc1c2-c1ccccc1Cl 6475799 RKOHJPLMEFFRDP-MRXNPFEDSA-N 400.305 6.192 0 40 HKAB CCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1=O 6629512 IEFLYRFHILTACZ-RQZCQDPDSA-N 409.338 5.847 0 40 HKAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N(CC)CC)cc2C)cc1Cl 6629938 DVBRDBYPZPDORE-UHFFFAOYSA-N 419.978 5.020 0 40 HKAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(-c3nccs3)cc2)cc1 7986505 PKMLILWJACFASM-UHFFFAOYSA-N 419.506 5.175 0 40 HKAB CCOc1c(Br)cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc1OC 8253330 MSSZXJQOUAUFSX-NJMHRBNOSA-N 422.407 5.695 0 40 HKAB C[C@@]12CC3CC(NCc4ccccc4OCc4ccc(Cl)cc4)(C1)C[C@](C)(C3)C2 8534556 ATMMQCKJPPFHQA-FMLGTGLNSA-N 410.001 6.758 0 40 HKAB Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)C[C@H]2CCCO2)cc(C)c1Cl 8869559 BMNFKEXBSCKOCI-LJQANCHMSA-N 422.352 5.197 0 40 HKAB Cc1ccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCCC4)cc1 9424422 WKSUQGMDTCGHOR-UHFFFAOYSA-N 422.575 5.579 0 40 HKAB C[C@@H](CNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3)c1nc2ccccc2n1C(F)F 10637339 BFLXHMOQWWNOQR-AWEZNQCLSA-N 422.479 5.325 0 40 HKAB O=C(COc1ccccc1Cl)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 10692440 DJMPJAPXRULWAE-LJQANCHMSA-N 404.897 5.148 0 40 HKAB CCCOc1ccccc1NC(=O)c1ccc(OCc2cn3cc(C)ccc3n2)cc1 12582694 ZDQBGCDWBHVCGJ-UHFFFAOYSA-N 415.493 5.263 0 40 HKAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(N4CCCCCC4)cc3)c2C)cc1 12690440 PNNSHSGESFNCTC-UHFFFAOYSA-N 416.569 5.489 0 40 HKAB Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(C)c5ncccc45)cc3)o2)c1 12917155 IHEFTCOJDABEFO-UHFFFAOYSA-N 420.472 5.821 0 40 HKAB C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccccc1)c1cccc2ccccc12 13069700 PRIIBONCNPUCDX-LJQANCHMSA-N 423.516 5.381 0 40 HKAB S=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccn(Cc2ccc(Cl)cc2)n1 13330979 AEWARAQXNSLLBW-UHFFFAOYSA-N 411.745 5.701 0 40 HKAB Cc1ccccc1NC(=O)c1nnc2c(-c3cccc4ccccc34)c(C)nn2c1C 13635662 RDDWSNYVAYPWBB-UHFFFAOYSA-N 407.477 5.122 0 40 HKAB COc1c(C)cccc1C(=O)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1Cl 13946089 HSPDSKRRDMGBPX-UHFFFAOYSA-N 406.869 6.026 0 40 HKAB Cc1cc(C)cc(-c2nnc(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)o2)c1 14071408 UGGCNDWQTUPXHB-HXUWFJFHSA-N 407.539 5.199 0 40 HKAB COc1ccc(-c2csc3ncnc(NCCc4cccc5cccnc45)c23)cc1 14813631 OZIIAOVOXZCGDI-UHFFFAOYSA-N 412.518 5.570 0 40 HKAB COc1ccc(Cl)cc1-c1nnc2sc(-c3ccc(Cl)cc3Cl)nn12 15085489 XNNUKEVXLMEWQH-UHFFFAOYSA-N 411.701 5.489 0 40 HKAB COc1ccc(-c2cc(-c3sc4nc(C)cc(C)c4c3-n3cccc3)on2)cc1 15107204 KSFTWNDREBMVFL-UHFFFAOYSA-N 401.491 6.034 0 40 HKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)COc1ccccc1C 17090627 MCAWCAGMCVXTQF-UHFFFAOYSA-N 416.477 5.446 0 40 HKAB c1ccc([C@]23O[C@](c4ccccc4)(c4ccccc42)[C@@H]2c4cccc5cccc(c45)[C@H]23)cc1 17185768 SAYUJFQTOWSBFN-ANLCFORVSA-N 422.527 7.252 0 40 HKAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 17902393 RGJLUEKFLRRUIB-UHFFFAOYSA-N 417.292 5.184 0 40 HKAB CC(C)(C)CC(=O)N[C@@H](C[C@@H]1CCCCN1CCc1ccccc1)c1ccccn1 19082732 UEFCZRUOQRMROD-UPVQGACJSA-N 407.602 5.162 0 40 HKAB CC(C)C(=O)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19085672 ZZYIDIKQIXWKKX-OAQYLSRUSA-N 419.504 5.131 0 40 HKAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@@H](c3cc(F)ccc3F)N1CC2 19550721 AZEUVOQCEXPIMD-DNQXCXABSA-N 408.448 5.054 0 40 HKAB CC(C)n1c([C@H]2CCCN(Cc3ccc(N4CCCC4=O)cc3)C2)nc2ccccc21 19715908 HUFWSXVUMSJQCF-NRFANRHFSA-N 416.569 5.124 0 40 HKAB O=C1CS[C@H](c2cccc(Br)c2)N1c1ccc(C(F)(F)F)cc1 19927075 HETZNYCMCVBIPE-OAHLLOKOSA-N 402.235 5.247 0 40 HKAB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3n2)cc1 20610112 LRGHCDGXRBCEPH-UHFFFAOYSA-N 418.500 5.902 0 40 HKAB CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccccc2)n2c(nc3ccccc32)N1 21005502 UAENYLIOGWBECC-QFIPXVFZSA-N 414.896 5.617 0 40 HKAB COCc1c(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)oc2ccccc12 21141315 LSOGVVYUIYNNJE-UHFFFAOYSA-N 406.463 5.145 0 40 HKAB CC[C@H](C)n1nc(NC(=O)COc2ccc(C)cc2)c2cc3cc(C)ccc3nc21 21596603 XVLUFLBBXIRDNW-KRWDZBQOSA-N 402.498 5.190 0 40 HKAB COc1ccc(/C=C(/C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c2ccccc2)cc1 22522170 IXULOWCVKRQFBK-OZHVRZOASA-N 417.505 5.130 0 40 HKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3Br)n2)cc1 23390572 BDKUNWIROCMRMV-UHFFFAOYSA-N 414.303 5.194 0 40 HKAB COc1ccc(CC(=O)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 24979218 XUEUTHKFEYVNNA-UHFFFAOYSA-N 403.356 5.049 0 40 HKAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)n1 27970564 KPNYZENXPRQPRC-UHFFFAOYSA-N 408.716 5.761 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCCOc1ccccc1 28323599 XWVQZQCMADAFJP-UHFFFAOYSA-N 402.853 5.032 0 40 HKAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1cc(Cl)ccc1Cl 28831353 IGGULRLDJBJCGG-UHFFFAOYSA-N 413.717 5.163 0 40 HKAB O=C(NCc1ccc(Cn2ccnc2)cc1)[C@@H](Sc1ccccc1)c1ccccc1 30217611 GHBNNTANIRKDBJ-DEOSSOPVSA-N 413.546 5.081 0 40 HKAB Cc1nc(-c2ccc([C@@H](C)NC(=O)c3cccc(Nc4ncccn4)c3)cc2)cs1 30893475 AQFDDSFBNIQKAC-OAHLLOKOSA-N 415.522 5.143 0 40 HKAB Cc1ncc(NC(=O)c2cccc(Cl)c2)n1-c1nc(-c2ccc(F)cc2)cs1 32615894 VBJXSKKSLHXRAL-UHFFFAOYSA-N 412.877 5.349 0 40 HKAB CCN1CCc2nc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)sc2C1 32969105 SLBQWUZXEMJZAX-UHFFFAOYSA-N 420.563 5.050 0 40 HKAB CCN1C/C(=C/c2cccc(Cl)c2Cl)c2nc3ccccc3c(C(=O)O)c2C1 33467017 SVTUABWBKFBUHK-UVTDQMKNSA-N 413.304 5.616 0 40 HKAB CCCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C1=O 35042150 SFPNLOJCTVPWCT-CPNJWEJPSA-N 401.915 5.755 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc2c(n1)-c1cccc3cccc-2c13 35288805 DRERHIMHWCCUQZ-UHFFFAOYSA-N 418.909 5.365 0 40 HKAB CCOc1ccc(NC(=O)c2sc(N3CCCCC3)nc2-c2ccccc2)cc1 36293504 KPGJMWVOLNXEMC-UHFFFAOYSA-N 407.539 5.451 0 40 HKAB CC(C)C[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 38771619 OTOYJSNXMWWUHW-DEOSSOPVSA-N 407.941 6.436 0 40 HKAB Cc1ccc(-n2c(-c3ccc(Cl)c(Cl)c3)cnc2SC2CCCC2)cc1 44085550 IUNCZAXPEMWHCH-UHFFFAOYSA-N 403.378 7.189 0 40 HKAB Cc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2-c2ccc(F)cc2)cc1 44087081 IHRGXQLPKQVHFS-UHFFFAOYSA-N 409.530 5.091 0 40 HKAB Cc1cc2oc(=O)cc(CN3CCN(c4cccc(Cl)c4)CC3)c2c(C)c1Cl 54105989 WBIOZCYDOJEVAP-UHFFFAOYSA-N 417.336 5.039 0 40 HKAB biogenic CCOC(=O)c1cccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc23)c1 64471991 TUERKFHULWTRJB-UHFFFAOYSA-N 423.900 5.045 0 40 HKAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCc2c([nH]c3ccccc23)C1 95475286 LXBSOFBARMSUNQ-LJQANCHMSA-N 417.940 5.382 0 40 HKAB biogenic CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3nc(-c4ccc(C)c(C)c4)c(C)s3)C(=O)[C@@H]21 102209089 SOLLMDNHUHVKOG-LFGUQSLTSA-N 406.551 5.217 0 40 HKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccc(Cl)c(Cl)c1 102957560 VVESXDXKQLUTAW-SKLAPFLYSA-N 417.174 6.056 0 40 HKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 222987152 STICXHPZLBWSAV-NRFANRHFSA-N 408.586 5.076 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccco2)c1 223985569 FGTHQVBLQWJAJI-SFHVURJKSA-N 420.509 5.047 0 40 HKAB COc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccc(Cl)c(C)c1 224201827 IHIDHIFEAJDRHC-UHFFFAOYSA-N 401.934 5.689 0 40 HKAB CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1ccc2ccccc2c1 225056640 HBZUNLIGHQWFKA-UHFFFAOYSA-N 404.329 5.126 0 40 HKAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)Nc1nc(-c3ccc(C)c(C)c3)cs1)[C@@H]2C(=O)O 225688906 AIKRVADVIYMACM-XAMWDVODSA-N 410.539 5.059 0 40 HKAB COC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 226339783 HBSSJLKRGYODBW-UHFFFAOYSA-N 424.505 5.775 0 40 HKAB CCOC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 248241031 BLQIUYJCPHQGEL-PBJPWNDHSA-N 416.348 6.467 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)N[C@H](Nc1ccccn1)C(Cl)(Cl)Cl 254789391 PQOGPQCDZDICOM-NYTXWWLZSA-N 422.784 5.377 0 40 HKAB COc1ccc(NC(=O)c2sc3nc(C(F)(F)F)c4c(c3c2N)CCCC4)cc1 257173852 ZIDZDITYBXMSMX-UHFFFAOYSA-N 421.444 5.037 0 40 HKAB C[C@]1(NC(=O)C2CCCC2)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(Cl)cc2)C1 257291543 QHLWUIQJIPQRNH-AOHZBQACSA-N 415.936 6.137 0 40 HKAB CCOc1ccc(Br)cc1C(=O)Nc1ccccc1Oc1ccccc1 408585420 DFWADPDSIIFCIA-UHFFFAOYSA-N 412.283 5.892 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)cc1 408694019 HGZSASWLCDCGNO-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB O=C1N/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N1c1ccccc1 409009678 HJSDWLURAQVKDG-KOEQRZSOSA-N 420.468 5.516 0 40 HKAB CCc1ccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 409117030 NGPFPHZEQDTHRC-UHFFFAOYSA-N 401.937 7.247 0 40 HKAB C[C@@H](NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2)c1ccccc1 409167795 NHDBOUACFMYXBR-ZAHOPQMISA-N 422.572 6.474 0 40 HKAB COc1ccccc1OCc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1 409179917 PVUNPIUNRVGYOZ-UHFFFAOYSA-N 401.384 5.545 0 40 HKAB CC1(C)c2ccccc2-c2ccc(Nc3ccc4cc(Br)ccc4c3)cc21 1857793550 LNVZXTHHCISNLO-UHFFFAOYSA-N 414.346 7.652 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(Cl)cc2Cl)cc1C 629223 LAARKEAURNLWBU-KRWDZBQOSA-N 402.368 5.047 0 40 HKAB CC(C)(C)C(=O)Nc1cccc(-c2nnc(-c3cccc(NC(=O)C(C)(C)C)c3)o2)c1 832887 FHVKKVCFAPFMAN-UHFFFAOYSA-N 420.513 5.373 0 40 HKAB COc1ccc(C(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 992726 JRCYIRMUPGYJQT-UHFFFAOYSA-N 403.459 5.012 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(OC)cc4C)sc3n2)c1 1026505 JCIYUUXYOCNUML-UHFFFAOYSA-N 419.506 5.123 0 40 HKAB CCN(CC)CCCCCNc1cc(OC(=O)c2ccccc2)cc2cccnc12 1666877 PIRVYWHQIXXGMI-UHFFFAOYSA-N 405.542 5.378 0 40 HKAB c1ccc(Oc2ccc(-n3c(-c4ccco4)nc4nc5ccccc5nc43)cc2)cc1 2254966 LOUVGOSSJRLPLT-UHFFFAOYSA-N 404.429 6.021 0 40 HKAB Cc1ccc(-n2c(SC(C)C)nc3sc4c(c3c2=O)CC(C)(C)SC4)cc1 2322411 JLPSFCRQUUKORZ-UHFFFAOYSA-N 416.637 5.824 0 40 HKAB CCCCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 2353792 QGYKGHRPKAWDCJ-UHFFFAOYSA-N 422.554 5.953 0 40 HKAB Cc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)n(-c2ccccc2)n1 2659733 NRJOASPPSGEWEI-UHFFFAOYSA-N 419.488 5.286 0 40 HKAB CC[C@@H](C)Sc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1 2721779 ZLMXKTZXKJHJTD-LLVKDONJSA-N 413.973 5.780 0 40 HKAB O=C(c1ccccc1OCc1ccccc1)[C@@H]1O[C@H]1c1ccc(Br)cc1 3120618 WZIFLZKXPOGOFN-VXKWHMMOSA-N 409.279 5.351 0 40 HKAB Cc1cc(NC(=O)CSc2ccc(Br)c3cccc(Cl)c23)no1 3234031 ISFLAOZKCGSPDM-UHFFFAOYSA-N 411.708 5.283 0 40 HKAB O=C(COc1ccc2c(=O)c(Oc3ccc(Cl)cc3)coc2c1)c1ccccc1 3248744 ZVCWUJSWRQAORE-UHFFFAOYSA-N 406.821 5.500 0 40 HKAB CC(C)CCOc1ccc(/C=C2/N=C(c3ccc(Cl)c(Cl)c3)OC2=O)cc1 3283337 JBBRIOAXMHGQHX-YBFXNURJSA-N 404.293 5.763 0 40 HKAB CC(=O)c1ccc(N(C(=O)c2cccc(C)c2C)c2nc3ccccc3s2)cc1 3306761 IGOTYFVGVPRUHY-UHFFFAOYSA-N 400.503 6.094 0 40 HKAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccccc1-c1ccccc1 3321496 IVMLLRAVYOPLJI-UHFFFAOYSA-N 400.261 5.456 0 40 HKAB FC(F)(F)c1cnc(SCc2nnc(-c3ccc(Cl)cc3)o2)c(Cl)c1 3332618 RAFHHGPKWAWSII-UHFFFAOYSA-N 406.216 5.750 0 40 HKAB CCOC(=O)c1cnc(-c2ccccc2)nc1Sc1cccc(C(F)(F)F)c1 4042388 BPPUSOIPPAHGAG-UHFFFAOYSA-N 404.413 5.490 0 40 HKAB Clc1ccc(C2=NN(c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)C2)cc1 4482232 UQUWTZKZUKIQBV-NRFANRHFSA-N 401.724 7.003 0 40 HKAB CCc1ccccc1OCCCn1c(-c2ccc(OC)cc2)nc2ccccc2c1=O 5576539 LPHCAORFKKFNEF-UHFFFAOYSA-N 414.505 5.104 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccc(Cl)c(C)c3)ccc21 5621114 MRCOBMIGOOHXEY-MRXNPFEDSA-N 406.913 6.182 0 40 HKAB COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4OC[C@@H]32)cc1OC 6182310 WGKVWYHQRCSHQT-XDHUDOTRSA-N 403.503 5.680 0 40 HKAB O=C1Oc2ccccc2/C1=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 6509542 PUKAWQBPCHRRAZ-KGENOOAVSA-N 404.425 5.745 0 40 HKAB CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccccc1Oc1ccccc1 6589754 LGJYTOIHMJYEKF-UHFFFAOYSA-N 420.534 5.348 0 40 HKAB Cc1ccc(C)c(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)c1 6901711 GUFJNBBWSJXARA-UHFFFAOYSA-N 407.477 5.177 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](Nc1ccc(N2CCCC2)cc1)c1ccccc1 7003995 JZHMKSZHHQXEBE-VWLOTQADSA-N 415.537 5.477 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1 7073082 VNPIXWAHWLREMP-QGZVFWFLSA-N 414.505 6.334 0 40 HKAB Clc1ccc(-c2noc(CN3CCC(c4nc5ccccc5s4)CC3)n2)cc1 7337534 JVZKJMDJTCMUHA-UHFFFAOYSA-N 410.930 5.379 0 40 HKAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc4c(F)cccc4s3)n2)cc1 8312502 OMNSKFGOSXLYRI-UHFFFAOYSA-N 411.483 5.375 0 40 HKAB CSc1ccc(OC2=N/C(=C\c3ccccc3)C(=O)N2c2cccc(Cl)c2)cc1 8452931 VWXJLONPTKMKLF-STZFKDTASA-N 420.921 5.885 0 40 HKAB CNc1cc(CSc2ccccc2)nc(SCc2ccc(Cl)c(Cl)c2)n1 8733609 QTSFHMLDMNGMFN-UHFFFAOYSA-N 422.406 6.410 0 40 HKAB C[C@H](NC(=O)CSc1nnc(Nc2ccccc2F)s1)c1ccccc1Cl 10077286 NHYVGRREVFCBAZ-NSHDSACASA-N 422.938 5.044 0 40 HKAB Brc1ccc2c(c1)[C@@H]1CC(c3cccs3)=NN1[C@@H](c1ccco1)O2 10215547 VREJKRONEZOCFX-KBXCAEBGSA-N 401.285 5.346 0 40 HKAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1cc(=O)c2ccccc2o1 11847403 XNBYSDAEMSMWQC-UHFFFAOYSA-N 417.273 5.476 0 40 HKAB C[C@@H](NC(=O)CSc1nc(-c2cccs2)n[nH]1)c1ccc(-c2ccccc2)cc1 12621842 RZKJRUODHHVINP-OAHLLOKOSA-N 420.563 5.170 0 40 HKAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc2)o1 12822997 MYKDTWLYWCFOCY-MRXNPFEDSA-N 401.441 5.342 0 40 HKAB CC(C)(C)c1csc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)n1 12905105 NARHWLKELYMKHS-UHFFFAOYSA-N 412.412 5.037 0 40 HKAB CSc1nc(-c2ccco2)nc(C)c1C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 13000817 HLQOUGGBIUCCIK-LLVKDONJSA-N 421.444 5.277 0 40 HKAB Cc1ccc2c(C)nc(Nc3nc(SCc4ccc(Cl)cc4)cc(=O)[nH]3)nc2c1 14608239 PGSXJCNLOGMONR-UHFFFAOYSA-N 423.929 5.019 0 40 HKAB COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)c(OC)c1 15953538 KHTQBWLJEZPZAP-INVJPVLZSA-N 407.554 5.085 0 40 HKAB biogenic CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2Cl)o1 16039336 RYTPEQQOLSFIHJ-IUODEOHRSA-N 411.955 5.627 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)c3ccccc3)n2-c2ccc(Cl)cc2)c1 16807874 WGDCOGPJIOBLEM-UHFFFAOYSA-N 419.937 5.871 0 40 HKAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Oc2ccccc2)cc1 17297287 ZTDNSMWVTJNGQZ-UHFFFAOYSA-N 401.418 5.654 0 40 HKAB Clc1cc(Cl)c2nnc(SCc3cc(Cl)c4c(c3)OCCCO4)n2c1 17892569 QZCUUAIPTBRXKM-UHFFFAOYSA-N 416.717 5.143 0 40 HKAB Cc1[nH]c2ccccc2c1[C@@H](c1cccs1)N1CCN(c2ccccc2F)CC1 20192173 BKGZPUFUYVJRCO-XMMPIXPASA-N 405.542 5.589 0 40 HKAB Cc1ccc(-c2nn(CC(=O)NC3CCCCC3)c(-c3ccc(C)cc3)c2Cl)cc1 20617871 GXTXIYRZVPQFSL-UHFFFAOYSA-N 421.972 5.936 0 40 HKAB CC(C)c1ccc([C@@H](NC(=O)C[C@@H](C)NC(=O)c2ccccc2)c2cccs2)cc1 22542345 WIHIKVQYFCURDT-HOYKHHGWSA-N 420.578 5.286 0 40 HKAB CC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)s2)c1C 23079122 BIKDGKJYTAUWMO-ACCUITESSA-N 410.926 5.987 0 40 HKAB CCOc1ccc(Oc2ccccc2NC(=O)CCNC(=O)Nc2ccccc2)cc1 23723321 AXAWWWXIWJTZFV-UHFFFAOYSA-N 419.481 5.028 0 40 HKAB Cc1cccc(OCC(=O)Nc2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)c1C 32623624 JGXFQWMRJNMFLH-UHFFFAOYSA-N 417.440 5.177 0 40 HKAB COc1ccccc1CNC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 33808192 SAVMLVNQTIZGTE-UHFFFAOYSA-N 408.367 5.219 0 40 HKAB c1nc(NC2CCCCC2)c2sc3nc(N4CCCCC4)c4c(c3c2n1)CCCC4 35439886 JGRXPPAYWKXSHD-UHFFFAOYSA-N 421.614 5.853 0 40 HKAB O=C(Nc1sccc1-c1nc2ccccc2s1)c1cc(-c2ccccc2)on1 38493092 FDNFXTOTPJWNLH-UHFFFAOYSA-N 403.488 5.932 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C/C=C/c2ccccc2)CC1 44903764 UANDALOXVGMUTA-OUZREKFBSA-N 415.002 5.068 0 40 HKAB O=C(c1ccc(F)cc1)N1C(=S)C(c2cccc(Cl)c2)=NC12CCCCC2 45932937 GSDJPIDIOUJHAY-UHFFFAOYSA-N 400.906 5.412 0 40 HKAB O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1cc(F)ccc1F 46022489 OKIPUSLECQJHDJ-UHFFFAOYSA-N 419.522 5.260 0 40 HKAB Cc1ccc2c(Nc3ccc(C(C)C)cc3)c(C(=O)N3CCC[C@H](C)C3)cnc2n1 49005410 XCLUPFXIAFVNDE-KRWDZBQOSA-N 402.542 5.677 0 40 HKAB Cc1ccc2c(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cccc2n1 57315683 IHYVOSFKTDENEY-UHFFFAOYSA-N 421.909 5.583 0 40 HKAB Cc1ccc(N[C@@H]2C[C@@H](C)N(C(=O)c3ccc(Cl)cc3)c3cc(C)ccc32)cc1 59428158 CPLDFEAZZPSMOQ-WZONZLPQSA-N 404.941 6.549 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cc(Cl)ccc2C)nc1 67294398 BNXUPDURGKMXPF-RWEWTDSWSA-N 419.868 5.288 0 40 HKAB CC[C@@H](NC(=O)Nc1ccc(C)cc1)c1noc(-c2cccc(Br)c2)n1 72275176 UABWBCJZKOPWLJ-MRXNPFEDSA-N 415.291 5.080 0 40 HKAB O=C(Nc1ccccc1)c1ccc(CN[C@H](c2ccc(F)cc2)c2cccs2)cc1 72296318 RDIJMBPAZWYVLH-XMMPIXPASA-N 416.521 6.019 0 40 HKAB C[C@H](NCc1ccc(OCc2cscn2)cc1)c1nc(-c2cccnc2)cs1 78823204 WPJCAVPUKKYFFP-HNNXBMFYSA-N 408.552 5.091 0 40 HKAB Cn1c(-c2ccc(Cl)cc2)c([C@@H]2c3ccccc3C(=O)N2CCO)c2ccccc21 85430343 VLRCAURHGNDHNF-DEOSSOPVSA-N 416.908 5.036 0 40 HKAB CCCOc1ccc(Cl)cc1NC(=O)Nc1ccccc1[C@@H](O)C(F)(F)F 95942632 VFWYQGBKSPVZQO-MRXNPFEDSA-N 402.800 5.369 0 40 HKAB CCOC(=O)c1c(NC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)sc2c1CCCC2 102572132 XLFCYUNHKBDJJR-OXAUBPOISA-N 415.599 5.739 0 40 HKAB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C3C4CC5CC(C4)CC3C5)[C@H]2C(=O)N1c1cccc(Cl)c1 102954156 QAEZXYJFCPDXSK-PCZAWJTASA-N 405.925 5.014 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 107043034 NJUATLWNNODYRL-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC(=O)/C=C/c1ccccc1 118920773 YDLGPSRBKLWFAV-ZMQFJBCJSA-N 406.610 7.044 0 40 HKAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1OC 215154935 ZEYMXZQYDHULRE-GIJQJNRQSA-N 421.877 5.123 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=O)c1ccccc1CCc1ccccc1)CC(C)(C)O2 219006120 HFIARGUJFUNDER-XMMPIXPASA-N 415.533 5.513 0 40 HKAB Cc1c([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n(-c2ccccc2)c1C 222638252 IOCOOTXIXKNTFT-MPMWTEJESA-N 402.567 5.387 0 40 HKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(CN2CCCc3ccccc32)cc1 224330426 RDCHBTHMDYTJCX-UHFFFAOYSA-N 418.540 6.144 0 40 HKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)ccc1F 224896387 SFXMQEWMISGUCF-GOTSBHOMSA-N 422.573 5.705 0 40 HKAB Cc1cc(C)c(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)c(C)c1 224928131 PYFHGVJFPQSISC-UHFFFAOYSA-N 400.453 6.325 0 40 HKAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CCCCC2)cc1 225760681 KZKJGNIAONTNGQ-UHFFFAOYSA-N 415.577 7.024 0 40 HKAB Cc1ccc([C@H](NC(=S)Nc2cccc(OC(C)C)c2)c2ccccc2)c(C)c1 225769121 PLGRXNVKJCLNRM-XMMPIXPASA-N 404.579 6.167 0 40 HKAB O=C(Nc1ccc2sncc2c1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 225909923 XLGRGVZOUFTZIQ-CYBMUJFWSA-N 420.365 5.454 0 40 HKAB CCOc1ccc(Cc2ccc([C@@H]3CCCN(C(=O)CC4CCCC4)C3)nc2)cc1 257307780 TUCISNVOPZOPOX-HSZRJFAPSA-N 406.570 5.357 0 40 HKAB COc1cc(C)c(CN2CCC[C@@H]2c2cncc(Nc3cccc(C)n3)n2)c(C)c1C 257324841 WQKLAFHPKKCNNM-JOCHJYFZSA-N 417.557 5.195 0 40 HKAB CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(OC)c(C)c1 260764704 LKRLKZUTVXYBTG-RBBKRZOGSA-N 414.977 5.137 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(C)cc2C)c1 408695354 QCNAWWFVHPWAIX-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccccc2)nc1-c1ccc(Cl)cc1 408698637 PAATYOBXPIJDFH-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB N=C1S/C(=C\c2ccc(-c3ccccc3Cl)o2)C(=O)N1c1ccc2c(c1)OCO2 408975944 DCONDHRWSNIEBP-OZYICTPTSA-N 424.865 5.384 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Cl 409128132 IOIYNAIMHACPMU-ONDHQXCVSA-N 407.963 6.134 0 40 HKAB CCn1c(CN2CCC(c3cccc(Nc4nccs4)n3)CC2)nc2ccccc21 585262662 PREYQBHFKALJNU-UHFFFAOYSA-N 418.570 5.031 0 40 HKAB CC(C)[C@H]1CC2(CCN(Cc3cn(C)cn3)CC2)CO[C@@H]1c1ccccc1Cl 643913490 RNUOSQFGTTZBQK-IFMALSPDSA-N 401.982 5.090 0 40 HKAB COCc1cc(C)nc2sc([C@@H](O)c3ccccc3)c(NC(=O)c3ccccc3)c12 720148 GXEBDJKEKRPFJI-NRFANRHFSA-N 418.518 5.085 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc(C)c1Cl 835804 CUVBDVKYXFBFFX-UHFFFAOYSA-N 415.917 5.464 0 40 HKAB Cc1ccc(NCc2nnc(SCC(=O)c3ccc(Cl)cc3)n2C)cc1Cl 870492 JHGWSNXNSBJFOZ-UHFFFAOYSA-N 421.353 5.017 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3nnn(Cc4cccc5ccccc45)c(=O)c23)C1 1784999 HNGJIJGMZGZRDF-QGZVFWFLSA-N 403.551 5.206 0 40 HKAB Fc1ccccc1N1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1 2417206 BFFDIQDVACZHDZ-UHFFFAOYSA-N 424.479 5.509 0 40 HKAB CCCCc1ccc(NC2=NC(=O)[C@H](Cc3cccc(Cl)c3Cl)S2)cc1 2669282 QFVQLCWVJJYMJE-KRWDZBQOSA-N 407.366 5.989 0 40 HKAB CCc1c(-c2cccc(OC)c2)nn(Cc2cccc(F)c2)c1-c1cccc(OC)c1 2733481 AHYVPOXHJMSGFY-UHFFFAOYSA-N 416.496 5.984 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1F)c1ccc(OC(F)F)cc1 3302926 IBGOOYWPZLOOME-UHFFFAOYSA-N 419.786 5.564 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 3312461 SPJBSFSCQUVTOS-INIZCTEOSA-N 402.494 5.033 0 40 HKAB COc1ccc(CN(CC[C@]2(c3ccc(C)cc3)CCO[C@@H](C(C)C)C2)C(C)=O)cc1 4043631 JGXOSEIPYHFJEJ-SXOMAYOGSA-N 423.597 5.515 0 40 HKAB biogenic Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C4C5CC6CC(C5)CC4C6)[C@@H]3C2=O)cc1Cl 4664399 YOOCZIRJOZWOJF-JWEXMAKHSA-N 419.952 5.323 0 40 HKAB Cc1cccc2cc(CN(C(=O)c3ccc(F)cc3)C3CCCCC3)c(Cl)nc12 4861344 OUKVRAQOGPVYLK-UHFFFAOYSA-N 410.920 6.311 0 40 HKAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(-c5ccccc5)cc4)c3)nc2c1 4866633 ZSUHZZRSRZIZTI-UHFFFAOYSA-N 418.496 7.031 0 40 HKAB CC[C@@H]1CCCCN1c1cc(-c2ccccc2)nc2cc(-c3cccc(OC)c3)nn12 4980591 PZZZQXHGWQGXOV-OAQYLSRUSA-N 412.537 5.841 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)c1C 5112176 UHDRRSPYEOFEFG-UHFFFAOYSA-N 405.281 5.259 0 40 HKAB COc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1OC 5458652 NIKPVISZBATZRG-CTNGQTDRSA-N 419.912 5.853 0 40 HKAB CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccccc1OC 5498799 WGNKXOZIGDLBFP-UHFFFAOYSA-N 424.570 5.002 0 40 HKAB Cc1ccc(OCCOc2ccc(C)cc2Br)c(Br)c1 5700013 HYDYRUNTOOANCE-UHFFFAOYSA-N 400.110 5.286 0 40 HKAB CCOc1ccc(/C=C2\N=C(c3cc(Cl)ccc3Cl)OC2=O)c(OCC)c1 5718570 SIIHWSXFMXFFDB-MFOYZWKCSA-N 406.265 5.135 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 6022764 USQVOIWINUIVNA-UHFFFAOYSA-N 406.869 5.944 0 40 HKAB C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)Nc1cc(Cl)ccc1Cl 6558392 SFMHJQPNLVBGAN-STRFDMGBSA-N 415.276 5.125 0 40 HKAB Cc1cc2oc(C(=O)N(Cc3cccc(Cl)c3)Cc3ccco3)c(C)c2cc1C 6810704 ULXQAPLYTLAQIB-UHFFFAOYSA-N 407.897 6.447 0 40 HKAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)cc3)c12 6857924 ZMWJOFJODNQSSP-UHFFFAOYSA-N 402.885 5.512 0 40 HKAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(-c3ccoc3C)o2)c1 7218810 HLLXXGDOKRTDTK-UHFFFAOYSA-N 419.506 5.272 0 40 HKAB CC[C@@H](C)n1c(SCc2ccc(OC(F)F)c(OC)c2)nc2ccccc2c1=O 7393091 JAYCWJSEQPURPQ-CYBMUJFWSA-N 420.481 5.270 0 40 HKAB CC(C)CC(=O)Nc1ccc(C2=NN=C(Nc3cccc(Cl)c3)SC2)cc1 7983242 BXHSDAKSSIFCJV-UHFFFAOYSA-N 400.935 5.244 0 40 HKAB Clc1ccc(-c2noc(CSc3nc(C4CC4)n(-c4ccccc4)n3)n2)cc1 8157221 XTWGFGNIGOBYEC-UHFFFAOYSA-N 409.902 5.140 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1cccc(-c2nc3cc(C)c(C)cc3o2)c1 8367592 FJKTUTTWTHHESO-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB Fc1c(F)c(-c2ccc(OCc3ccccc3)cc2)c(F)c(F)c1Br 8762944 MNOASFMBPZQQCY-UHFFFAOYSA-N 411.192 6.252 0 40 HKAB Cc1nc2nc(SCc3cccc(Br)c3)[nH]c2cc1Br 9308450 OOPSNEOKZPATCO-UHFFFAOYSA-N 413.138 5.084 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cc(=O)c2ccccc2o1 9367804 AOHJAWXNYZPYAD-UHFFFAOYSA-N 414.442 5.028 0 40 HKAB CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)NC1CCCCCC1 9517068 ORBYAAJJRFMMLD-OAHLLOKOSA-N 413.484 5.177 0 40 HKAB Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCc2ccc(F)cc2)nn1 9578127 BNKLDAOYBXGJLQ-UHFFFAOYSA-N 411.502 6.146 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(I)cc1 9601252 JFKCLZMVFBUJSB-KRXBUXKQSA-N 418.061 5.250 0 40 HKAB CC(C)(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4F)ccc3o2)cc1 9660194 AZTBSTWTWIOZMD-UHFFFAOYSA-N 415.464 6.149 0 40 HKAB biogenic Cc1cccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1Cl 9876721 CDLASMVAYBWVLC-UHFFFAOYSA-N 414.789 5.474 0 40 HKAB Cc1c(CNCc2cccnc2)c2ccccc2n1Cc1ccc(Cl)cc1Cl 10315518 GXWVRKDTNHKGPJ-UHFFFAOYSA-N 410.348 5.990 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 10357379 WIYQBCDKKLFGGE-UHFFFAOYSA-N 422.550 5.480 0 40 HKAB CSc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(C)ccc(C)c3s2)c1 11143343 GZGXGLKNQPDMRE-KRWDZBQOSA-N 412.580 5.461 0 40 HKAB CCCc1noc([C@@H](C)Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)n1 12998930 CCKUQYGWPTUKMK-CYBMUJFWSA-N 417.966 5.902 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1cc(C2CC2)nc2c1nc1n2CCCCC1 13005480 REYJVJNSELATNF-UHFFFAOYSA-N 402.542 5.412 0 40 HKAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1c(Cl)cccc1Cl 13709836 GVUDNWXCIHEQFN-GFCCVEGCSA-N 418.773 5.464 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)C3CCCCC3)c3ccc(C)c(C)c3)cc2c1 13715073 KDLKGWFQBGDDSC-UHFFFAOYSA-N 402.538 5.567 0 40 HKAB CCc1ccc(O[C@@H](C)c2nnc(SCc3ccc(Cl)cc3)n2CC)cc1 13871442 YIDDNSDUHGYPCJ-HNNXBMFYSA-N 401.963 5.946 0 40 HKAB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cc3ccc(F)cc3Cl)n2)cc1C 13960624 ZWHWLIIBVQGPMJ-UHFFFAOYSA-N 418.943 7.292 0 40 HKAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4F)cc3c2C)cc1 15729478 SCQPQXMSWGFOMT-UHFFFAOYSA-N 403.409 5.372 0 40 HKAB biogenic COc1ccc(-c2c/c(=N\c3nc(-c4ccccc4)c(C)s3)c3ccccc3o2)cc1 15978687 FTTWOVCJGJPGPB-HPNDGRJYSA-N 424.525 6.773 0 40 HKAB COc1ccc(-c2cs/c(=N\c3cccc(C)c3C)n2-c2cccc(C)c2C)cc1 16711441 RJYAVINSBDCSJS-RQZHXJHFSA-N 414.574 6.680 0 40 HKAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)Cc1csc(-c2ccsc2)n1 19358328 LDJIAAJILFLQSR-UHFFFAOYSA-N 411.474 5.138 0 40 HKAB CCCOc1c(Cl)cc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)cc1OCC 19691014 GLNKFHNNDGHJCC-IBGZPJMESA-N 409.913 6.155 0 40 HKAB COc1ccc(OC)c(C(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)c1 19691134 JVDLITWKQXDOEN-UHFFFAOYSA-N 416.521 5.094 0 40 HKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1cccc(C)c1 21005552 PVEJVXWFUABVAU-DEOSSOPVSA-N 409.489 5.334 0 40 HKAB COc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2ccccc2C)cc1 28288725 PWPDIWPYHVXCOS-AREMUKBSSA-N 414.505 5.112 0 40 HKAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 29462057 MPXQGIOZBRCFJG-UHFFFAOYSA-N 402.381 5.129 0 40 HKAB O=C(NCc1ccc(-c2nc3cnccc3o2)cc1)c1sc2ccccc2c1Cl 32073170 HAENLSGUIZQYJK-UHFFFAOYSA-N 419.893 5.688 0 40 HKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 32116799 XUGWVKSBQMMAIZ-GOSISDBHSA-N 414.505 6.541 0 40 HKAB Cc1occc1-c1nnc(SCc2noc(-c3cccs3)n2)n1-c1ccccc1 32837597 URVZAIZUCLYBEQ-UHFFFAOYSA-N 421.507 5.240 0 40 HKAB S=C(c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1)N1CCCCC1 33806848 UAZMWGXOVYFXKB-UHFFFAOYSA-N 414.785 6.387 0 40 HKAB CC1CCN(c2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 39843955 HCCMLVJIALLILU-UHFFFAOYSA-N 416.930 5.064 0 40 HKAB CCc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccccc1 40387865 HARLZKCNLRHXDY-XGHQBKJUSA-N 400.526 5.271 0 40 HKAB CCN(C(=O)NCc1ccc(OCc2cccnc2)cc1)[C@@H](C)c1ccc(F)cc1 58196000 VJJQKPUQZCUNNN-SFHVURJKSA-N 407.489 5.092 0 40 HKAB CCCn1cc(-c2nc(-c3ccccc3Br)no2)c(=O)c2cc(C)ccc21 64963700 FYQMUXWBTJFAPD-UHFFFAOYSA-N 424.298 5.199 0 40 HKAB CC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@@H]1c1cccc(C)c1 79112130 KNZJJBATWJJLOB-AREMUKBSSA-N 419.528 6.216 0 40 HKAB Cc1ccc(Cn2cc(CN[C@H](C)c3ncc(C)o3)c(-c3ccc(C)cc3)n2)cc1 96003618 GKDQAAOBGGXCNV-HXUWFJFHSA-N 400.526 5.362 0 40 HKAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2cc(-c3ccc(Br)cc3)on2)C1 101086364 ZQAUUIWVNVKDJY-QRWLVFNGSA-N 403.320 5.145 0 40 HKAB COc1ccccc1[C@@]1(CCN[C@H](C)c2ccc(Cl)cc2)CCO[C@H](C(C)C)C1 102708080 DZYXLXFXKIWHKF-NGXZDTIWSA-N 416.005 6.162 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](Oc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 118927547 LUZSRGCUNDRXTQ-QTDJDFFRSA-N 408.582 6.329 0 40 HKAB COc1cc(CNC(=O)c2ccccc2CCc2ccccc2)ccc1OC(C)C 219001740 MLRFZBMIJMUERY-UHFFFAOYSA-N 403.522 5.198 0 40 HKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc(Cl)c4C)ccc32)c1 223083050 KOKFRRFOQMNNEE-UHFFFAOYSA-N 418.924 5.802 0 40 HKAB CCOCc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OCC 224698105 OOILOUNVSLOWKW-UHFFFAOYSA-N 403.522 5.464 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccccc2Cl)CCCC1 225525511 NGNDRQGXLYIZIM-UHFFFAOYSA-N 405.925 6.370 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(Br)cc1 225685737 FWSSSDFDVWARJF-INIZCTEOSA-N 421.360 5.047 0 40 HKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1 225737029 QQXPZRRTWUPYAH-JOCHJYFZSA-N 413.986 5.704 0 40 HKAB COC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCCC2)ccc1OC(C)C 225760874 SYIYCASIQSMGDF-UHFFFAOYSA-N 413.489 5.240 0 40 HKAB COc1ccc(N2C(=O)[C@@H]3[C@H](c4ccccc4)CC[C@@H](c4ccccc4)[C@H]3C2=O)cc1 245380076 QLBWEDTZLSUCNV-CXSMSNRLSA-N 411.501 5.162 0 40 HKAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 250817439 POFKIMJZNMOAJA-AYRHNUGRSA-N 402.582 5.060 0 40 HKAB O=C(Nc1ccc(Br)cc1F)c1ccc(OCc2ccccc2)cc1 311022940 MAVWQHNHFDHXQA-UHFFFAOYSA-N 400.247 5.420 0 40 HKAB CCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(F)(F)F 408586092 LAYLRJIMFBMFQD-UHFFFAOYSA-N 402.210 5.509 0 40 HKAB O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1cc2c(ccc3ccccc32)o1 408616698 BGTRBIWTFSPDEP-UHFFFAOYSA-N 420.468 5.768 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(Cl)cc2)c1 408698153 LOMVUCHHEHBHKB-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB COc1c(Cl)cc(Cl)cc1C[C@H]1SC(=O)N(c2cccc(Cl)c2)C1=O 409139365 DAFMZADCRQKUMW-CQSZACIVSA-N 416.713 5.467 0 40 HKAB Cc1ccc(-c2nnc(SCC(=O)Nc3nc(-c4ccccc4)c(C)s3)o2)cc1 409164726 MVQRJDFAXRHKRG-UHFFFAOYSA-N 422.535 5.208 0 40 HKAB FC(F)(F)c1cnc(-n2ccnc2SCc2ccc(Cl)cc2)c(Cl)c1 1392011 NJFRFSJJFJLFEJ-UHFFFAOYSA-N 404.244 5.885 0 40 HKAB c1csc(-c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s2)c1 1861800 YFBLUJZFRBFQMR-UHFFFAOYSA-N 412.651 8.662 0 40 HKAB in-vitro CCc1ccc2oc(-c3ccccc3)c/c(=N\c3ccc(Br)cc3)c2c1 1892351 OUIZCDVNJCUTSE-NJNXFGOHSA-N 404.307 6.657 0 40 HKAB c1ccc(COc2ccc(Oc3nc(-c4ccccc4)nc4ccccc34)cc2)cc1 1895350 SZZVTWWVIDELEJ-UHFFFAOYSA-N 404.469 6.668 0 40 HKAB O=C(COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)Nc1ccccc1 1934277 YNMFCZVNFHEFDY-UHFFFAOYSA-N 405.837 5.131 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Br)c2)N3)C1 2063295 BZYYKBSMMKFUII-SJKOYZFVSA-N 419.388 5.516 0 40 HKAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3c(C)cccc3C)c2c1 2079826 SGJUJGZJJFPDAN-UHFFFAOYSA-N 414.936 6.987 0 40 HKAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1ccc(F)c(Cl)c1)CO2 2118533 VDCLJZKSOJEKTP-UHFFFAOYSA-N 421.855 5.917 0 40 HKAB biogenic CC(=O)Oc1cccc(C(=O)Oc2c(C(=O)c3ccccc3)sc3ccccc23)c1 2286767 ZBUUTLVZDYAOQX-UHFFFAOYSA-N 416.454 5.277 0 40 HKAB Cc1ccc(-n2c(N)c(C(=O)Nc3cccc(C)c3)c3nc4ccccc4nc32)cc1 2297368 JUGDBUVJLLXQMW-UHFFFAOYSA-N 407.477 5.025 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1 2351722 MDSGSOAGGBLJNG-UHFFFAOYSA-N 418.543 5.832 0 40 HKAB O=[P@@](Cc1ccccc1)(c1ccccc1)N(CCc1ccccc1)c1ccccc1 2355105 MBGPBOLNHCZHMY-PMERELPUSA-N 411.485 6.540 0 40 HKAB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(F)cc4)c23)cc1 2396157 SPFATPVZFBDZOY-UHFFFAOYSA-N 409.511 5.537 0 40 HKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 2447417 ZMIGMLNOHADXEC-UHFFFAOYSA-N 414.534 5.282 0 40 HKAB COc1cccc(Cn2cc3c(-c4ccc(C)cc4)nnc-3c3cc4c(cc32)OCO4)c1 2689803 XVXCEAORBRNAQA-UHFFFAOYSA-N 423.472 5.297 0 40 HKAB Cc1cccc(C)c1NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12 2754291 IIUCTEFACSDCKF-UHFFFAOYSA-N 408.545 7.068 0 40 HKAB Cc1ccc(Nc2nc3nonc3nc2Nc2cccc(C(F)(F)F)c2)cc1Cl 3021101 QLYMWNSGKQOBBH-UHFFFAOYSA-N 420.782 5.481 0 40 HKAB O=C(O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)c1ccccc1F 3250904 GQZFANLYJOWUBM-LJQANCHMSA-N 418.251 5.669 0 40 HKAB CC(C)c1ccccc1-n1c(SCc2ccc(Cl)cc2)nc2ccccc2c1=O 3269358 JJMIHUVKHRQOPK-UHFFFAOYSA-N 420.965 6.455 0 40 HKAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc4nc(C)sc4c3)c2Cl)cc1 3436441 GXFKKMYRYDXOBK-UHFFFAOYSA-N 410.930 5.372 0 40 HKAB C[C@H]1CC(C)(C)Nc2cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)ccc21 4064359 DMTCUEHDFYNOBC-QHCPKHFHSA-N 417.596 7.767 0 40 HKAB COc1cc(C=O)cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1 4502103 YKDCWMWSSPSMTK-UHFFFAOYSA-N 407.304 5.026 0 40 HKAB CCc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 4931067 FLNVIAFLZZMIIR-NVQXNPDNSA-N 412.489 5.263 0 40 HKAB FC(F)(F)c1cccc(Nc2c(-c3cccc4cccnc34)nc3ccccn23)c1 5453473 RVMCWOSAWFTLNO-UHFFFAOYSA-N 404.395 6.312 0 40 HKAB CCOc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccncc2)cc1 6106901 SFOQNOHJZVFIEO-UHFFFAOYSA-N 402.523 5.329 0 40 HKAB COc1ccc(C2=Nc3ccc(OC(F)(F)F)cc3C(c3ccccc3)=NN2)cc1 6145740 HJBIVKBUTOPJOS-UHFFFAOYSA-N 411.383 5.028 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4Cl)c3)nc2c1 6440229 WQOWOVHTQBXQER-OAHLLOKOSA-N 404.897 6.914 0 40 HKAB O=C(CSc1nc2ccccc2s1)N[C@H](c1ccc(F)cc1)c1cccs1 7884003 DSUGOKLPVOORDR-LJQANCHMSA-N 414.552 5.495 0 40 HKAB CC[C@@H](CO)NCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 8326288 NZRNNXWAZVGLGY-HNNXBMFYSA-N 418.748 5.095 0 40 HKAB Cc1nc(Sc2nnc(C(F)(F)F)n2C)c2c(-c3cccs3)csc2n1 9128688 IEOHBGNBKFASHP-UHFFFAOYSA-N 413.475 5.027 0 40 HKAB COc1ccccc1Oc1cn[nH]c1-c1ccc(OCc2cccc(Cl)c2)cc1O 9159293 XUOCBARPUGKURR-UHFFFAOYSA-N 422.868 5.816 0 40 HKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)N[C@@H](c1ccccc1)C1CC1 9876533 NZNDUPBRUDMXNU-IBGZPJMESA-N 420.340 5.115 0 40 HKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)Cc1cccs1 10245853 VYNVXZURGHGVPR-UHFFFAOYSA-N 420.490 5.327 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(N2CCCCCC2)cc1 12568004 GMLUKOCLIFAPJJ-UHFFFAOYSA-N 402.542 5.051 0 40 HKAB O=C(c1cc(Br)ccc1F)N1CCC(c2nc3ccccc3s2)CC1 12980910 QOOCGLNCZIOUJV-UHFFFAOYSA-N 419.319 5.218 0 40 HKAB O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 13284042 GJPMMRWNMPTKPS-UHFFFAOYSA-N 412.729 5.563 0 40 HKAB Clc1ccc(OCc2nn3c(-c4cc5ccccc5[nH]4)nnc3s2)c(Cl)c1 13692638 LQMWOQRHIHKWEZ-UHFFFAOYSA-N 416.293 5.220 0 40 HKAB Cc1ccc(C)c(C(=O)CCC(=O)N2CCc3sccc3[C@H]2c2cccs2)c1 14136574 ZNUBMOFPJJIRNP-QHCPKHFHSA-N 409.576 5.564 0 40 HKAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 14197509 JFCDOJSUKTUNRL-LLVKDONJSA-N 417.531 5.003 0 40 HKAB FC(F)Sc1ccc(/N=c2\scc(-c3ccccc3)n2C2CCCC2)cc1 15911796 BBAWRXBLAPRESN-FLFQWRMESA-N 402.535 6.879 0 40 HKAB Cc1cc(S[C@@H](C)C(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc(C(C)C)n1 16454150 PLAJWYQCRRWAEV-JTQLQIEISA-N 418.777 5.988 0 40 HKAB CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)c1 16610473 YCSPLZLNENJZOJ-NSHDSACASA-N 419.959 5.254 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 17092045 GMBBJDNVMVYXJH-UHFFFAOYSA-N 419.956 5.223 0 40 HKAB C[C@@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2c2c1c1ccccc1n2Cc1ccccc1 18212453 AONNCUFLRUFGMU-MOADCYBESA-N 420.512 5.470 0 40 HKAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C[C@@H]4CCCCO4)C3)c(-c3ccncc3)c2c1 19220212 PLPXYOWVHZBPFZ-RTWAWAEBSA-N 417.553 5.204 0 40 HKAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 20139989 DEQQLJZOGBJOTR-UHFFFAOYSA-N 410.640 5.857 0 40 HKAB O=c1c2ccc(Cl)cc2nc(SCc2nc3ccccc3o2)n1Cc1ccco1 21339779 DLYMQZSUDFWURV-UHFFFAOYSA-N 423.881 5.125 0 40 HKAB COc1ccc(-c2csc(NC(=O)C3(c4ccccc4)CCCC3)n2)cc1OC 21356428 KXCRMWKJFXYHNU-UHFFFAOYSA-N 408.523 5.278 0 40 HKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)c3)oc2cc1C 21578491 ALDULFCXFZPIHU-UHFFFAOYSA-N 412.533 6.970 0 40 HKAB Cc1ccccc1-n1cc(-c2ccccc2)c2c(NCCc3ccccc3)ncnc21 21797963 GDJGHKAYWZMXPF-UHFFFAOYSA-N 404.517 6.051 0 40 HKAB Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1CCC[C@@H](c2nc3ccccc3s2)C1 31815178 UKUTVZZBLMWKBI-QVKFZJNVSA-N 405.523 5.091 0 40 HKAB CCCOc1ccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c2cccnc12 32624143 RBAVCWQMJMBVSA-UHFFFAOYSA-N 422.868 5.344 0 40 HKAB O=C1S/C(=C\c2ccccc2Cl)C(=O)N1CNc1cccc(Br)c1 33921521 YRLDRJXDDACBPV-NVNXTCNLSA-N 423.719 5.208 0 40 HKAB CCCCc1ccc(N2C(=O)/C(=C/c3ccc(Br)o3)SC2=S)cc1 35040143 PPHTVBFHAMBYJL-PTNGSMBKSA-N 422.369 5.791 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2ccccc2NC(=O)c2ccccc2Cl)cc1 36709607 RBEZUTYLMJXDPJ-UHFFFAOYSA-N 422.912 5.733 0 40 HKAB CCOc1ccc(-c2cc3c(SCC(=O)c4ccc(C)cc4)nccn3n2)cc1 38651958 SWYGMZWBQPLTDK-UHFFFAOYSA-N 403.507 5.078 0 40 HKAB CC(=O)c1cccc(Nc2nc(-c3sc(NC(=O)C(C)(C)C)nc3C)cs2)c1 40556430 HXPCSQORTCRUQX-UHFFFAOYSA-N 414.556 5.506 0 40 HKAB O=C(O)/C(=C/c1ccccc1OCc1ccccc1)Sc1nc2ccccc2[nH]1 50547755 MFQPRZXYAYRXJJ-STZFKDTASA-N 402.475 5.360 0 40 HKAB Cc1ccccc1-c1noc(CSc2nc(O)cc(-c3cccc(Cl)c3)n2)n1 65330947 GCHXSULDRJDRMZ-UHFFFAOYSA-N 410.886 5.153 0 40 HKAB O=Cc1ccc(-c2cc(Br)c(Br)c(Br)c2)o1 70461230 NRAXAVYZSLXCGG-UHFFFAOYSA-N 408.871 5.047 0 40 HKAB COc1ccc(Br)c(C(=O)NCc2ccccc2-c2ccsc2)c1 96122901 HIZHVFYOOWVDIM-UHFFFAOYSA-N 402.313 5.116 0 40 HKAB O=c1c2cc(Cl)ccc2nc2n1CC/C2=C\c1ccc(OCc2cscn2)cc1 96991236 ABHQTIDZSLKFMV-OQLLNIDSSA-N 421.909 5.030 0 40 HKAB O=C(CCCOC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccc(F)cc1 102215964 DHKWDWDDYZGPKC-VKFLQFAXSA-N 423.322 5.066 0 40 HKAB COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)c(OC)c1 102713142 PYCNAANVFQJVJM-XMMPIXPASA-N 420.509 5.516 0 40 HKAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c12 104066224 JFULHIBXQNDSLL-HRDWYUFVSA-N 414.553 5.161 0 40 HKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cc(C(C)C)ccc3O)o2)cc1C 107955283 YTDJJURHGOOMNF-UHFFFAOYSA-N 408.523 5.519 0 40 HKAB CC(C)(C)[C@@H]1CCc2onc(C(=O)NCCOc3ccc(-c4ccccc4)cc3)c2C1 141544464 CWOSHKAYCYWSDH-HXUWFJFHSA-N 418.537 5.301 0 40 HKAB C[C@@H]1CCCCN1Cc1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)c1 141583813 KZJJYUHPPMHCQR-MRXNPFEDSA-N 409.917 5.622 0 40 HKAB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(C)cc4)C3=O)o2)cc1 214447894 IVEOSWSBJKSMED-LPYMAVHISA-N 417.486 5.694 0 40 HKAB CC1(C)[C@]2(C(=O)O)CC[C@]1(C)[C@@H](NC(=O)OCC1c3ccccc3-c3ccccc31)C2 217615763 CAJUEVWERQYXKM-RMUDUWAUSA-N 419.521 5.195 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCC1 222918627 JNIAYSRXJMDLOA-JOCHJYFZSA-N 408.542 5.016 0 40 HKAB Cc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1C 223471002 GVBRSVRXXOQSII-SFHVURJKSA-N 416.968 5.494 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 224198832 LEVSKZPKBZLCGZ-XZOQPEGZSA-N 402.567 5.484 0 40 HKAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1cccc2ccccc12 224308731 YVILSICNZYOAAM-UHFFFAOYSA-N 415.464 5.497 0 40 HKAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccc(Cl)c(C)c1 224546188 MSPSYBRKMJSQNY-UHFFFAOYSA-N 423.940 5.898 0 40 HKAB CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(SC)cc1 224985874 KUUOHWHPPYHNHY-UHFFFAOYSA-N 409.882 5.296 0 40 HKAB CCOC(=O)c1cc(NC(=S)N[C@H]2CC(C)(C)Oc3ccccc32)ccc1Cl 225578369 XXEREXAJNXNNRU-KRWDZBQOSA-N 418.946 5.106 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1OCC 225684739 GJHKOCUAPLCJTM-UHFFFAOYSA-N 415.917 5.366 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(-c3cccc(Br)c3)o2)cc1Cl 226348256 QWSMRZXNBQQXHK-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB COc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N)cc3Cl)o2)cc1Cl 227148324 GNCMNHHEAPAKJP-WEVVVXLNSA-N 403.265 5.496 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)cc1C 408695286 PKRXBUXPVKSGAB-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 408695374 QGAYOASVANQDFD-UHFFFAOYSA-N 409.276 5.493 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2cccc(C)c2)cc1 408697426 HIUYNEMLBIKLGY-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(F)cc2)c1 408697992 KTTXCYALZOFYNB-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(CSCc3ccccc3)cc2)c1 408921081 CRXFVXOFQXLHHK-UHFFFAOYSA-N 405.519 5.467 0 40 HKAB Cc1ccc(C)c(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c1 408971012 FSKIZOXBHNTMEM-UHFFFAOYSA-N 405.325 5.101 0 40 HKAB CCCOc1ccc2ccccc2c1-c1nc(O)c2c3c(sc2n1)CCCCC3 408985175 ACEDWOYFIZGCIS-UHFFFAOYSA-N 404.535 6.275 0 40 HKAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(O[C@H](C)CC)c(Br)c2)C1=O 409013274 UEKOGVGCPAOXHO-AWOYWQDDSA-N 412.349 5.461 0 40 HKAB Cc1ccc(COc2c(Cl)cc(CNc3cccc(Cl)c3C)cc2Cl)cc1 409119201 RYKCUGLUIPLYTG-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB COCCN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C1=O 409137983 XWVZRTKSJDIPJG-GXDHUFHOSA-N 411.957 5.235 0 40 HKAB COc1cc(Cl)c(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 409201387 MNHIVJJHTHRSQG-FRKPEAEDSA-N 410.278 5.252 0 40 HKAB CC(=O)N1CC2=C(C1=O)[C@H](C1CCCCC1)c1cn(CC(C)C)c3cccc(c13)N2 524731709 IELVRHXIUQAUKH-JOCHJYFZSA-N 405.542 5.030 0 40 HKAB biogenic Cc1nccn1[C@H]1C[C@H]2CN(Cc3cccc(F)c3)C[C@H]2C[C@@H]1Oc1ccccc1F 2332242552 TZHZYZWVDSPOFT-RDMBEQIISA-N 423.507 5.000 0 40 HKAB COc1ccc(C(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1OC 849027 JUEVGQWUBBQMIZ-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1c(Cl)cccc1Cl 1019598 ZZZSLPCOWAYEOF-SFHVURJKSA-N 402.281 5.195 0 40 HKAB Cc1cccc(C(=O)Nc2ccccc2SCC(=O)Nc2ccc(C)c(Cl)c2)c1 1332335 LDWVGHYQSZNMOZ-UHFFFAOYSA-N 424.953 5.940 0 40 HKAB CCOC(=O)c1ccc2c(c1)sc1nc(-c3ccc(Br)cc3)cn12 1445141 KTTKZLIIDLNJMN-UHFFFAOYSA-N 401.285 5.155 0 40 HKAB COc1ccc([C@@H]2CC(=O)n3nc(-c4ccc(Cl)c(Cl)c4)nc3S2)cc1 1455643 VRVZDFQMKUPUGD-HNNXBMFYSA-N 406.294 5.138 0 40 HKAB c1ccc(-c2oc(-c3ccccc3)c(CN3CCCCC3)c2CN2CCCCC2)cc1 1683593 IUEFRJWOOFMLIR-UHFFFAOYSA-N 414.593 6.585 0 40 HKAB O=C(O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cccc2ccccc12 2060369 OCADUBNQOZHYJY-UHFFFAOYSA-N 407.878 6.172 0 40 HKAB COc1ccc(-c2nc3c4c(-c5ccccc5)c(-c5ccccc5)oc4ncn3n2)cc1 2062059 PNSYRULYRRMYKN-UHFFFAOYSA-N 418.456 5.880 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccccc3F)c2)cc1 2069831 WXAKGVFYXRDWFZ-UHFFFAOYSA-N 412.848 5.382 0 40 HKAB CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@@](C)(CC)OC3 2228407 RHAOWQAAWOIFBK-OAQYLSRUSA-N 400.569 5.109 0 40 HKAB Cc1nc(Nc2nc(C)c3cccc(C)c3n2)[nH]c(=O)c1Cc1cccc2ccccc12 2441690 PSTIBKPAHDGSSM-UHFFFAOYSA-N 421.504 5.126 0 40 HKAB CCCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CC[C@@H](CC)C2 2761761 PKXWORSFSWWRFG-CYBMUJFWSA-N 405.947 5.736 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1 3140324 FZPILPGVHYLDQU-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB COc1ccccc1NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 3181235 TVBLOANYHOWSKT-DTQAZKPQSA-N 413.452 5.339 0 40 HKAB C[C@@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N1CC=C(c2ccccc2)CC1 3381144 KEMNKYGGQOQNSO-ZDUSSCGKSA-N 409.744 5.763 0 40 HKAB Cc1ccc(NC(=O)CSc2cn(Cc3ccccc3C)c3ccccc23)cc1 3581666 XNCDOMLNCQPKHU-UHFFFAOYSA-N 400.547 6.037 0 40 HKAB c1ccc(-c2nc3cc(Oc4ccc5[nH]c(-c6ccccn6)nc5c4)ccc3[nH]2)nc1 3642702 FRBJTWMUBRZPHI-UHFFFAOYSA-N 404.433 5.356 0 40 HKAB Clc1ccc(COc2ccc(-c3nccc(-c4cccs4)n3)cc2)cc1Cl 4060639 MBFXTWIEWYXHAS-UHFFFAOYSA-N 413.329 6.758 0 40 HKAB CCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 5150448 OQNMLYQODCWVAC-OAQYLSRUSA-N 416.864 5.154 0 40 HKAB CCOc1ccc(-c2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1 6090169 ACSHNUTZCMORMK-UHFFFAOYSA-N 420.310 5.763 0 40 HKAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccc2c(Cl)cccc12 6203399 IBEBIBWSWGIEJI-UHFFFAOYSA-N 412.880 5.788 0 40 HKAB COc1cccc(-c2cc(C(=O)Nc3ccc(OC)cc3OC)c3ccccc3n2)c1 6248640 DFLSIMZINYRQPZ-UHFFFAOYSA-N 414.461 5.180 0 40 HKAB COc1cc2c(cc1NC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C)oc1ccccc12 6394319 WUDWRBSJQWVSSC-HSZRJFAPSA-N 407.897 6.626 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)C(Cl)(Cl)Cl)c3)nc2c1 6449726 IPSCZNUZRASUFO-NSHDSACASA-N 411.716 6.317 0 40 HKAB CCCCC(=O)N(Cc1ccc(Cl)cc1Cl)c1ccc(C(=O)OCC)cc1 6593696 YNEARGDBETVMFD-UHFFFAOYSA-N 408.325 5.894 0 40 HKAB Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccncc2)cc1 6644362 WALXMDGBQSPMDS-FPOVZHCZSA-N 406.283 5.086 0 40 HKAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)c1 7882427 LHWYFHFVWKQJGX-QGZVFWFLSA-N 420.896 5.432 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C 8494879 SETAHXISOFOKPV-VQTJNVASSA-N 416.521 5.200 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)cc1OCC 9134824 CJWVSDUINRCPME-UHFFFAOYSA-N 418.449 5.094 0 40 HKAB COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2cccs2)cc1OC 9253053 JPHKMZJAOVGFAN-UHFFFAOYSA-N 423.515 5.260 0 40 HKAB COc1ccc(-c2nc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cs2)cc1 9861923 XDBLAHWEOUAIDT-GOSISDBHSA-N 421.547 5.406 0 40 HKAB COc1ccc(SCCC(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc1 10219575 AQPIFFRIVIBICF-UHFFFAOYSA-N 403.507 5.359 0 40 HKAB Cc1nc2sc3c(c2c2nc(-c4ccc(Cl)cc4Cl)nn12)CC(C)(C)OC3 12321865 MMNAHOWTADTCIZ-UHFFFAOYSA-N 419.337 5.473 0 40 HKAB O=C(CCCNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)cc1Cl 12755510 JBJYPXZVQOMXRK-UHFFFAOYSA-N 409.357 5.045 0 40 HKAB C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(Cl)cc1Cl 12996999 GOARCYNOWLJIRA-CQSZACIVSA-N 420.340 5.115 0 40 HKAB Clc1ccccc1COc1cccc(-c2nn3c(-c4cccnc4)nnc3s2)c1 13956999 FVZOVKPYFBCXDY-UHFFFAOYSA-N 419.897 5.147 0 40 HKAB CCn1c(SCc2cccc3ccccc23)nnc1-c1ccc(Cl)cc1Cl 14070023 NLPFIJXGQWAJJD-UHFFFAOYSA-N 414.361 6.717 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 15014029 CFVUBTCWQIKUEP-JTQLQIEISA-N 417.214 5.004 0 40 HKAB CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 17089427 QLKAXWHLDRJTFD-UHFFFAOYSA-N 412.942 5.623 0 40 HKAB O=C(O)CC1(CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)CCCC1 17089480 XESPOIWEEUOYEG-UHFFFAOYSA-N 413.326 5.481 0 40 HKAB CC(C)c1ccc(O)c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1 17092308 LWDUKVNNUMMGSM-UHFFFAOYSA-N 420.534 5.221 0 40 HKAB NC(=O)c1c(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCC2 17092596 XDMSGNWRVIHRJU-UHFFFAOYSA-N 421.305 5.155 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 17093376 IQMCZVDDOKTPHR-UHFFFAOYSA-N 422.937 6.413 0 40 HKAB Clc1ccc(-c2nnc(SCc3nnc(-c4ccccc4Cl)o3)o2)cc1 19928756 RYSZNOXUMYXGHU-UHFFFAOYSA-N 405.266 5.386 0 40 HKAB CCc1cc([C@@H](c2ccc(C)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 20193310 QSUMPNRMTBNOGD-HSZRJFAPSA-N 420.578 5.293 0 40 HKAB COc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2ccc(C)cc2)cc1 28288740 RMPRHQBFDTZBCI-AREMUKBSSA-N 414.505 5.112 0 40 HKAB O=C(CCC(=O)N1CCC[C@H]1c1ccc(Cl)cc1)c1ccc(Br)cc1 30367046 HORDOMILVPJGRM-SFHVURJKSA-N 420.734 5.429 0 40 HKAB CCN(CC)Cc1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 30756556 XVZYYWLRVJWWHF-UHFFFAOYSA-N 411.398 5.707 0 40 HKAB Cc1ccc(-c2csc(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)n2)c(C)c1 33298248 DDAISMSOXSWWIX-UHFFFAOYSA-N 415.440 6.087 0 40 HKAB CCc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)CC)cc3)C(O)=NC2=S)cc1 33719911 IIKNRAHYCOEQPE-NPQOUYBPSA-N 408.523 5.098 0 40 HKAB COc1c(Cl)cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1Cl 35673029 DTHCSQHDXCMBLA-UHFFFAOYSA-N 405.281 5.163 0 40 HKAB Cc1ccc(-n2nc3c(c2NC(=O)CC24CC5CC(CC(C5)C2)C4)CSC3)cc1C 35682691 UGLRYEXNIXETSJ-UHFFFAOYSA-N 421.610 5.781 0 40 HKAB O=C(NCCSCc1ccccc1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 36395277 GVGCAKPBZFPMOR-RTBURBONSA-N 408.592 5.396 0 40 HKAB Cc1nn2c(ncc3c(=O)n(CCC4=CCCCC4)ccc32)c1-c1ccc(F)cc1 40396926 PJEFUNKKDROVIU-UHFFFAOYSA-N 402.473 5.049 0 40 HKAB Cc1ccc2cccc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)c2n1 57313584 IPAJFVIOKVWDRR-FMIVXFBMSA-N 423.299 6.762 0 40 HKAB CCOC(=O)c1cccc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)c1 64472443 IAFCVMXUGIASKA-UHFFFAOYSA-N 416.502 5.635 0 40 HKAB CC(C)c1ccc(CNc2nc3c(-c4ccc(F)cc4)nnn3c3ccccc23)cc1 67261382 IELAKHOJUGBRTM-UHFFFAOYSA-N 411.484 5.819 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 89942378 KLZKCFIHUFQZBQ-GOSISDBHSA-N 414.571 5.017 0 40 HKAB CCc1ccc(NC(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)cc1 96037739 JEYCDPQMSRAHQW-UHFFFAOYSA-N 422.532 5.837 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 96248320 WNWIHJWESKCFLP-OAHLLOKOSA-N 421.975 5.371 0 40 HKAB OC1=C2C(=Nc3ccccc3N[C@@H]2c2cccc(O)c2)C[C@H](c2ccc(Cl)cc2)C1 100426856 CFVWLTUWJKRNJS-SSOJOUAXSA-N 416.908 6.675 0 40 HKAB COc1ccc(-c2c/c(=N\c3cc(OC)ccc3OC)c3cc(C)ccc3o2)cc1 101218119 DPLGUVYXXRYVER-YYADALCUSA-N 401.462 5.666 0 40 HKAB CC1(C)CC2=NC(Nc3nc4ccccc4o3)=N[C@@H](c3cccc(Cl)c3)C2=C(O)C1 102659969 DWFWSHCRBJHSKS-FQEVSTJZSA-N 420.900 6.077 0 40 HKAB O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(/Nc1ccccc1)Sc1ccccc1 102931840 MCSDFYQDURKRBW-PEZBUJJGSA-N 401.702 6.222 0 40 HKAB Cc1cc2c(N)c(C(=O)Nc3cccc4ncccc34)sc2nc1-c1ccccc1 215673895 GSTDKZJIYWLJEG-UHFFFAOYSA-N 410.502 5.654 0 40 HKAB COc1ccc(CCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 219768944 HDNDVCYGVXPNTF-UHFFFAOYSA-N 409.913 5.290 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSc1ccc(Cl)cc1 222911258 AHJARGLCBDLANY-FQEVSTJZSA-N 405.991 5.703 0 40 HKAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 223872206 IZGJTVRBMALNHQ-DHIUTWEWSA-N 413.502 5.224 0 40 HKAB Cc1ccccc1Nc1ccc(NC(=S)NCC2(c3ccccc3)CCCC2)cn1 223974957 YQOFXXHMVDHFBH-UHFFFAOYSA-N 416.594 5.932 0 40 HKAB CCCC[C@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 224408024 QHUBZDWSTWPFCA-INIZCTEOSA-N 422.978 5.087 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1COCC(C)C 224449428 BLIGHKYJTLGCHJ-UHFFFAOYSA-N 416.732 6.080 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccc(C)c(C)c1 224618541 FBGFLWKIIJWPMS-HXUWFJFHSA-N 403.522 5.772 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccc(C)c(C)c1 224620836 CLPYUFPNUOPVDY-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)NCCC1=CCCCC1 224874510 DLFSHMSUZRUNCV-UHFFFAOYSA-N 403.320 5.043 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(Cl)c3)o2)cc1 224908342 GUVRUTNLPWTMPS-UHFFFAOYSA-N 404.853 5.923 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2cccc(OC(C)C)c2)cc1 225026056 SXINBQIDCLEJPK-JCMHNJIXSA-N 420.534 5.253 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225827031 PPGLYYWEMNVRBD-SBUREZEXSA-N 407.551 5.355 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)c2cccnc12 225866724 GYENXBNBLZTLGE-UHFFFAOYSA-N 402.538 6.173 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4cccc(C(=O)O)c4)o3)N21 260769219 KNPOPJMDJSIINL-HBGVWJBISA-N 419.506 5.019 0 40 HKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc(F)cc4F)o3)C2=O)cc1 408599896 NWZQGRNCDDZCOK-JAIQZWGSSA-N 411.429 5.770 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2ccc(C)c(C)c2)c1 408700076 YRFRTKFSELIAGB-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccccc3)cc2)c(OC)c1OC 409380835 ITBLXRFFBIALSK-MHWRWJLKSA-N 405.450 5.157 0 40 HKAB Cc1cccc(C(=O)Nc2c(C(=O)Nc3ccc(C)c(C)c3)cnn2-c2ccccc2)c1 708348 QORUXPMRTWGMIJ-UHFFFAOYSA-N 424.504 5.302 0 40 HKAB CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc(F)cc2)c2ccccc2)C[C@@H]1C 822406 YIFLLWSQXZMQJA-XDHUDOTRSA-N 402.469 5.359 0 40 HKAB Cc1ccc(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc1C 827025 GKPKIHRWIHVQMK-UHFFFAOYSA-N 416.428 5.346 0 40 HKAB COc1ccc(-c2c(C)oc3cc(OCc4ccccc4Cl)ccc3c2=O)cc1 1463851 VRGFCMGRNNQOKS-UHFFFAOYSA-N 406.865 6.009 0 40 HKAB Cc1cc(C)c2nc(C(F)(F)F)nc(N(Cc3ccccc3)Cc3ccccc3)c2c1 1889998 XBXLBWSXHDSQIV-UHFFFAOYSA-N 421.466 6.472 0 40 HKAB Cc1ccccc1OCc1nc2c3c4c(sc3ncn2n1)C[C@@H](C(C)(C)C)CC4 2430083 WPMLLBTVVFGYML-HNNXBMFYSA-N 406.555 5.377 0 40 HKAB CCCCSc1nc(NC[C@@H]2CCCO2)c2c3c(sc2n1)COC(C)(C)C3 2434008 JSJHCSZCGILYDL-ZDUSSCGKSA-N 407.605 5.026 0 40 HKAB Cc1csc(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n1 2617632 FSSKADHGCRFKOC-INIZCTEOSA-N 408.470 5.942 0 40 HKAB COc1ccc(-c2nnc3c4cc(F)ccc4n(Cc4ccc(F)cc4)cc2-3)cc1 2689795 SUVVTNIRMSGEKX-UHFFFAOYSA-N 401.416 5.538 0 40 HKAB CCc1c(C)sc2ncn3nc(-c4ccc(COc5cc(C)ccc5C)o4)nc3c12 2808950 MQEKYEXKAAMQIN-UHFFFAOYSA-N 418.522 5.666 0 40 HKAB CCc1ccccc1NCC(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 2887731 GAYZWAOBXVHUBC-UHFFFAOYSA-N 419.472 5.366 0 40 HKAB CCCCCCOc1ccc(C(=O)COC(=O)c2ccc(Br)cc2)cc1 3204117 UJQCPKPYQOQDDK-UHFFFAOYSA-N 419.315 5.448 0 40 HKAB CCn1c2ccccc2c2cc(NC(=S)Nc3ccc(Cl)cc3Cl)ccc21 3214774 IUOGRZUNKGKXQE-UHFFFAOYSA-N 414.361 6.930 0 40 HKAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1cc(Cl)ccc1Cl 3238944 ALKCKCWDDVGRER-UHFFFAOYSA-N 410.272 5.126 0 40 HKAB O=C(c1sc2cc(Cl)ccc2c1Cl)N(c1ccccn1)C1CCCCC1 3299069 PDWYXBQUNQIELG-UHFFFAOYSA-N 405.350 6.583 0 40 HKAB C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1ccccc1-c1ccccc1 3409000 GQYWINHHOYHDQS-OAHLLOKOSA-N 402.475 5.147 0 40 HKAB Cc1ccc(C(=O)[C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2CC(C)C)cc1 3454599 IODTVTBMNSWFMJ-HNNXBMFYSA-N 414.958 5.378 0 40 HKAB CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c3ccccc3n2)cc1 4275536 AYPUCJPVDGJBQX-UHFFFAOYSA-N 413.502 5.230 0 40 HKAB O=C1c2ccccc2[C@@H](NC2CCCCCCCCCCC2)N1Cc1ccccc1 4598887 JEZXUTVEGGFUAX-SANMLTNESA-N 404.598 6.604 0 40 HKAB CCOc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3cccs3)C[C@H]21 4715719 RXCPGOPMUMFWIZ-GCJKJVERSA-N 410.926 6.043 0 40 HKAB CCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 4863034 MPVZWOMNSBNBAJ-AZGAKELHSA-N 414.505 5.726 0 40 HKAB COc1ccccc1NC1=NN=C(c2cc(C)n(Cc3cccs3)c2C)CS1 5660404 MJZNQLCYGQDZBC-UHFFFAOYSA-N 410.568 5.142 0 40 HKAB Cc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C)c1 6546074 DRXBBXHLGNMGLO-UHFFFAOYSA-N 409.363 5.952 0 40 HKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3c(C)cccc3C(C)C)s2)c1 6623646 LSRNWVPZFKLGGA-UHFFFAOYSA-N 412.584 5.753 0 40 HKAB CCc1ccccc1N1C[C@H](c2nc3ccccc3n2CCc2ccccc2)CC1=O 6752549 KIVCWIDTSWWVPU-JOCHJYFZSA-N 409.533 5.362 0 40 HKAB Cc1ccc(NC(=O)COc2ccc(CNc3cccc(C)c3C)cc2)cc1Cl 6968331 FIZTYDNVVNXFDG-UHFFFAOYSA-N 408.929 5.895 0 40 HKAB CCOc1cc(CNC(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccccc1 7520773 SIBHELCOTVDBCY-UHFFFAOYSA-N 403.994 6.622 0 40 HKAB Cc1ccc(CNc2nc3c(-c4cccc(F)c4)nnn3c3ccc(Cl)cc23)cc1 8757178 POPKQIOZDSQTKG-UHFFFAOYSA-N 417.875 5.658 0 40 HKAB Clc1ccc(CSc2nnc(-c3ccccc3Br)o2)cc1Cl 9057520 JSAIHWAFKSJKNJ-UHFFFAOYSA-N 416.127 6.098 0 40 HKAB C[C@@H](CNC(=O)c1ccccc1Oc1ccccc1)c1nc2ccccc2n1C(F)F 9202517 PZWXDMHNBDLNGJ-INIZCTEOSA-N 421.447 5.757 0 40 HKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(COc2ccc(Cl)cc2Cl)cs1 9464098 CIWLHLATGYZEIT-UHFFFAOYSA-N 421.349 6.330 0 40 HKAB c1ccc(Sc2c(-c3ccccc3)nnc(-c3ccccc3)c2-c2ccccc2)cc1 11692934 FGHZFXTYYOOOPX-UHFFFAOYSA-N 416.549 7.629 0 40 HKAB CCOc1ccc2nc(NC(=O)CCc3ncc(-c4ccccc4F)o3)sc2c1 11806901 CDGSCKFQUCOIIB-UHFFFAOYSA-N 411.458 5.060 0 40 HKAB CCCCC1CCC(C(=O)Nc2nonc2-c2ccc(Br)cc2)CC1 11917629 DIOVLBOJYQRCCG-UHFFFAOYSA-N 406.324 5.434 0 40 HKAB Clc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccc4ccccc34)=NN21 12192438 XHSREDLMCWSPAJ-AHWVRZQESA-N 410.904 6.736 0 40 HKAB Cc1c(-c2ccccc2)oc2c(C(=O)NCCc3c[nH]c4ccccc34)cccc2c1=O 12892869 YHLRRTDXZLNKFS-UHFFFAOYSA-N 422.484 5.222 0 40 HKAB biogenic Cc1cc(C)nc(-n2nc(-c3ccccc3)c3c2N=C(O)C[C@H]3c2ccccc2F)n1 13682351 YWQZCJVFXMRFMH-SFHVURJKSA-N 413.456 5.209 0 40 HKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(Cl)cc4)c3)oc2c1 13946092 QLMLHIWPIGITRL-VZUCSPMQSA-N 423.299 6.762 0 40 HKAB Cc1nnc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)s1 13955554 PRAHLUYLTVAACJ-UHFFFAOYSA-N 415.305 5.621 0 40 HKAB COc1ccc(OCCSc2ncc(-c3ccc(Br)cc3)[nH]2)cc1 14077538 LHGKGJRBUORPHM-UHFFFAOYSA-N 405.317 5.019 0 40 HKAB CCOc1c(Br)cc(Cl)cc1NC(=O)c1ccc2ncsc2c1 14556219 STKUAEHXHQMRFC-UHFFFAOYSA-N 411.708 5.363 0 40 HKAB C=CCn1c(C)nnc1SCC(=O)Nc1ccc(Sc2ccc(C)c(C)c2)cc1 15513147 QBOYVSGRBZERHO-UHFFFAOYSA-N 424.595 5.271 0 40 HKAB Fc1ccc(CCNCc2c(OCc3ccccc3F)ccc3ccccc23)cc1 16525942 ADAVGEFEFJJDTN-UHFFFAOYSA-N 403.472 6.029 0 40 HKAB CCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 17090075 MRZNODKWERLJEM-OAHLLOKOSA-N 414.571 5.039 0 40 HKAB CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(C)c4OC)c3)nc2c1 17092488 SYKJWXPTYVLUGP-UHFFFAOYSA-N 420.896 6.280 0 40 HKAB Cc1ccccc1[C@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccccc1 20048814 FOPLFFYHVQPLOX-HHHXNRCGSA-N 423.581 6.807 0 40 HKAB Cc1c(-c2ccccc2)c(N)c(Sc2ccc(Cl)cc2)c(=O)n1-c1ccccc1 20635009 VSMKILTZLUYCPW-UHFFFAOYSA-N 418.949 6.200 0 40 HKAB CCCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)c1 21580411 SWNWOGBMONUFFK-UHFFFAOYSA-N 401.466 5.280 0 40 HKAB CCCCOc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCCCC2)cc1 27662544 JUVRNWGJFHNPOV-NRFANRHFSA-N 400.588 5.274 0 40 HKAB CCCc1nnc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)s1 32502379 YSEJESLTWOHOEJ-UHFFFAOYSA-N 415.824 5.675 0 40 HKAB O=C1/C(=C/C=C/c2ccccc2)S[C@H](c2ccc(Cl)cc2)N1c1ccc(O)cc1 32597788 GYDGQRCPABKTDQ-NDHHZTIMSA-N 419.933 6.422 0 40 HKAB C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(Cl)cc3)C[C@H]12 33772911 XNIHMWPAFYIFGK-MWJHTSKTSA-N 410.985 6.226 0 40 HKAB biogenic Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2Cl)cc1 33773862 OCSZKSFIBPINCF-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C\c2c(Cl)cccc2Cl)SC1=S 35040591 DUKDIKYQIYEVCP-OVCLIPMQSA-N 424.330 5.406 0 40 HKAB Cc1ccc(CSc2nccn3nc(-c4ccc(Br)cc4)cc23)cc1 38486449 ODKZPKHZRLDGGI-UHFFFAOYSA-N 410.340 5.760 0 40 HKAB CCc1nn2c(ncc3c(=O)n([C@@H]4CCCC[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40397453 PLRBERMZJFQLQR-MGPUTAFESA-N 420.944 5.678 0 40 HKAB CSc1cccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)c1 41076893 OMTUWCRRWNNCHJ-UHFFFAOYSA-N 419.575 5.537 0 40 HKAB O=C(O)CSc1cc(C(F)(F)F)cc(Sc2ccc(Br)cc2)n1 43179105 PEOCTJDCAFPZKY-UHFFFAOYSA-N 424.263 5.191 0 40 HKAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12 59500412 AZFCXAMLNFMJJM-VUUXHMSQSA-N 413.904 5.301 0 40 HKAB biogenic Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1C 64983081 IUOGXLOAPYSBDI-KRWDZBQOSA-N 407.897 5.594 0 40 HKAB O=C(Nc1ccc(C(=O)Nc2cccc(-n3cc[nH]c3=S)c2)cc1)c1ccccc1 71800173 NVBIETLLYKHTGT-UHFFFAOYSA-N 414.490 5.039 0 40 HKAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1)C1CCC1 72215439 ZIPDMUCEPWGEIK-GOSISDBHSA-N 417.550 5.448 0 40 HKAB COC(=O)[C@@H](CC(C)C)c1[nH]c2ccc(Cl)cc2c1CNC(=O)OC(C)(C)C 77024495 VQSCIKOKBVQNIK-HNNXBMFYSA-N 408.926 5.149 0 40 HKAB CCCCC(CCc1ccc(C(F)(F)F)cc1)CCc1ccc(C(F)(F)F)cc1 85221685 GHHGNCHAZXFBQN-UHFFFAOYSA-N 416.449 8.096 0 40 HKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 95933388 FNKOKHZCQSJJOQ-AZHKRFGASA-N 424.713 8.089 0 40 HKAB CCOC(=O)c1ccc(-c2ccccc2)nc1C1CCN(C(=O)OC(C)(C)C)CC1 95949917 FERUZEZWDCFNDE-UHFFFAOYSA-N 410.514 5.040 0 40 HKAB NNc1nc2c(Cl)cc(NC(=O)C(c3ccccc3)c3ccccc3)cc2s1 216785948 VQMVOEKEMBIEHB-UHFFFAOYSA-N 408.914 5.006 0 40 HKAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCS[C@@H](c2cccs2)CC1 219513305 DIZQXGZPCDXVRZ-OAQYLSRUSA-N 420.559 5.877 0 40 HKAB Cc1cc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1Cl 222845332 BGDHYHSNVCOBNS-OAHLLOKOSA-N 416.304 6.500 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 223471037 NLQDFDTWPVFIHL-IBGZPJMESA-N 411.851 6.034 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c2ccccc2O1 223649983 NMZLCGJICMEQCF-DNVCBOLYSA-N 403.975 6.019 0 40 HKAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 224208512 JQWAFTLYVLEWMA-XMMPIXPASA-N 422.613 5.169 0 40 HKAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1cc(C)cc(C)c1C 224282017 SKEBJHZLGPDBJP-UHFFFAOYSA-N 415.533 5.398 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)c1 224293527 JNOZQLOUZOJIIV-ZEQRLZLVSA-N 416.594 5.629 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccccc1C 224378331 RYLOEJSJFSLUSO-UHFFFAOYSA-N 407.535 5.947 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccc(Cl)c(C)c1 224540881 JMKOAVPAOQCNBQ-SFHVURJKSA-N 423.940 6.117 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1CSc1ccccc1 224653636 KCKRDKLYWMGLEX-UHFFFAOYSA-N 423.534 5.647 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C(F)(F)F 225684335 DZSGWRQOXCFPDF-UHFFFAOYSA-N 411.851 6.208 0 40 HKAB C[C@H](O)c1ccc(C2(CNC(=O)NCc3cccc4ccccc34)CCCC2)s1 225686034 CWQHOBJZXRJJAK-KRWDZBQOSA-N 408.567 5.266 0 40 HKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(C(F)(F)F)cc2)c2ccccc2)c(C)c1 225768411 WQLVBJWMHZPDQK-NRFANRHFSA-N 414.496 6.398 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c2cccnc12 225868538 JWAOVXZSLWQNKW-UHFFFAOYSA-N 406.501 6.003 0 40 HKAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)CC3CCCCC3)CC2)on1 257263143 LOPPMDTXRPFZNE-MXVIHJGJSA-N 410.562 5.109 0 40 HKAB Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)o1 260762880 HUQHWZWJNQMHKX-HBUDHLSFSA-N 409.942 5.893 0 40 HKAB COc1cc(C(=O)OCC(=O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 408554239 QYFGODAEIJBMKC-UHFFFAOYSA-N 424.880 5.276 0 40 HKAB S=C(NCc1ccccc1)c1ccccc1OCc1ccc(Cl)cc1Cl 408574288 LNHDLSHCNCXXNR-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21)c1ccccc1 408619097 FZUJTUZRHPHRLO-IMAQQZIHSA-N 410.300 5.389 0 40 HKAB O=C1S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1c1ccccc1 408812925 CCMVAHPBAJQECH-STZFKDTASA-N 421.905 6.160 0 40 HKAB CCN1C(=O)S/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)C1=O 409065509 MFBWRSWDPAUMNJ-FYJGNVAPSA-N 423.921 6.128 0 40 HKAB c1ccc(Cc2nnc(SCc3cccc4ccccc34)n2-c2ccccc2)cc1 409104269 CEUPKHZUEMLJBU-UHFFFAOYSA-N 407.542 6.304 0 40 HKAB Fc1ccc(COc2ccc(Br)cc2-c2nc3ccccc3s2)cc1 409264604 MMPCIMKNEQIFCL-UHFFFAOYSA-N 414.299 6.444 0 40 HKAB COc1c(C(C)C)cc(C(C)C)c(OC)c1-c1cccc2c1P(C(C)(C)C)CO2 1772769067 OOHKUWRYRFUFIJ-UHFFFAOYSA-N 414.526 6.873 0 40 HKAB COc1ccc(C(=O)N2c3ccccc3N=C(c3ccccc3)[C@H]2c2ccccc2)cc1 939674 ZARRGFOODVRLPG-HHHXNRCGSA-N 418.496 6.218 0 40 HKAB Cc1sc2nc(C(C)C)nc(SCC(=O)N3c4ccccc4C[C@@H]3C)c2c1C 1340399 NTVCDECUKOOWHJ-ZDUSSCGKSA-N 411.596 5.501 0 40 HKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C)cc1 1380192 LEXYRSPHVFVEEU-DEOSSOPVSA-N 416.521 5.343 0 40 HKAB CC1=C[C@@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@H](c3ccc4c(c3)OCO4)[C@@H]1[C@@H]2C 2116117 FSFRMGYTTNBARV-VYZMNACGSA-N 420.505 5.178 0 40 HKAB COc1ccc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)cc1Cl 2251333 NLAGRQQXJKGXAU-UHFFFAOYSA-N 404.832 5.437 0 40 HKAB CC(=O)Oc1ccc(-c2cccc(C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)c2)cc1 2292635 WKGQYNSSMXRZOX-UHFFFAOYSA-N 419.480 6.102 0 40 HKAB CCCCc1nc2sc3c(NCC(C)C)nc(SC)nc3c2c2c1CCC2 2425417 IXGOGQBVMVYILV-UHFFFAOYSA-N 400.617 5.861 0 40 HKAB Cc1cccc(C)c1NC(=O)NC[C@@H]1C[C@H](NC(=O)Nc2c(C)cccc2C)C1(C)C 3171926 XTUGKZFYRKYJNY-PMACEKPBSA-N 422.573 5.278 0 40 HKAB O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccc(Cl)cc1Cl 3241067 DASGWPWDSGECBS-UHFFFAOYSA-N 416.260 5.581 0 40 HKAB O=C1c2ccccc2-c2cc(=O)n(C3CCCCC3)c3ccc(Br)c1c23 3670006 CMUPHMITGIOPCF-UHFFFAOYSA-N 408.295 5.481 0 40 HKAB N#Cc1ccc(C=Cc2cccc(C=Cc3ccc(C#N)cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 3844961 MNLZMTAAZOKFIN-UHFFFAOYSA-N 422.400 5.587 0 40 HKAB biogenic CCCOc1ccc(Br)cc1CNc1ccc(Oc2ccccc2)cc1 4677729 OXIRVCRBMCUMFN-UHFFFAOYSA-N 412.327 6.642 0 40 HKAB O=C(NCc1ccccn1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 4868217 QOZKTDNSGKLGOC-UHFFFAOYSA-N 415.496 5.894 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 5481721 VUCDSTCRVYGRSG-JIXTWFISSA-N 400.647 6.568 0 40 HKAB Brc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1[C@@H](c1cccs1)O2 5546061 WSHXDXKCIIUSOX-RDTXWAMCSA-N 401.285 5.346 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nnc(C2CCCCC2)o1)c1ccccc1 6373996 MYXMYGPVTFKAKO-QFIPXVFZSA-N 417.534 6.315 0 40 HKAB CCC(C)(C)c1ccc(Oc2ccc(N[C@H](C)C(=O)Nc3ccc(C)cc3)cc2)cc1 6388933 JQKPSLOSBKVQIA-HXUWFJFHSA-N 416.565 6.914 0 40 HKAB Cc1cc(/C=C2/Sc3ccccc3C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 6414950 HXDLRVSNPXPLHX-KEBDBYFISA-N 400.330 6.730 0 40 HKAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 6531935 MTFLAJMLPWXGJC-OAHLLOKOSA-N 402.523 5.049 0 40 HKAB Cc1ccc(N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)cc1F 6825490 QVFAVVSVSOXFBJ-FQEVSTJZSA-N 411.839 6.178 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)c1cccc(-c2cc3ccccc3oc2=O)c1 6886006 JCPNTAJUKGNXDU-UHFFFAOYSA-N 409.363 5.731 0 40 HKAB C[C@@H](c1ccccc1)n1c([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 7544621 HCXUXOIXTWRHDU-PKOBYXMFSA-N 415.924 5.820 0 40 HKAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCC[C@@H]1c1nc2ccccc2s1 7778046 LHUMRYTYFNUAIA-HXUWFJFHSA-N 414.534 5.337 0 40 HKAB CC(C)[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1ccc2c(c1)OCCCO2 7973677 RRMCDLGWCDTNFY-HSZRJFAPSA-N 422.550 5.027 0 40 HKAB CC(C)(C)c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2)c(C(C)(C)C)c1 8557262 XOONIEMRNGBEMB-UHFFFAOYSA-N 416.561 6.933 0 40 HKAB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc2c(Cl)cccc12 8590656 DPYAOBZCHYUNLX-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCCC(C)C 9382842 UIMQPHYIPSQAAG-UHFFFAOYSA-N 424.595 5.139 0 40 HKAB CC1(C)CC(=O)c2sc(NC(=O)CCCSc3ccc(Cl)cc3)nc2C1 9910357 SKURMIJNVWXLTN-UHFFFAOYSA-N 408.976 5.463 0 40 HKAB COc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1OC 10042481 WFDGRGAGIOCMRK-JOCHJYFZSA-N 410.853 5.138 0 40 HKAB Cc1ccc(OCCSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1 10730535 KUNXUPFHAKFFRU-UHFFFAOYSA-N 402.523 5.117 0 40 HKAB Clc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)c1 12604095 ACQOTEUWJIFECV-HYBUGGRVSA-N 418.880 5.354 0 40 HKAB CCOc1ccccc1NC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12 12871545 ZVTUDCSXYRPOTE-UHFFFAOYSA-N 407.495 5.528 0 40 HKAB COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(Cl)cc4)=NN23)cc1 13535262 HWOMHNHGKRJXDG-QPPBQGQZSA-N 420.896 5.600 0 40 HKAB CC(=O)N(c1nc(COc2ccc(F)cc2Cl)cs1)c1c(C)cc(C)cc1C 15709292 QLEQGWVEDUWZRT-UHFFFAOYSA-N 418.921 6.124 0 40 HKAB Cc1cc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)n(-c2ccccc2C)n1 18194919 WHYMQGAUKKOVNL-DEOSSOPVSA-N 413.546 5.961 0 40 HKAB O=c1cc(CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)nc2ccccn12 18360186 FLIHWNLPOKNTHS-UHFFFAOYSA-N 422.560 5.167 0 40 HKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3)c2)cc1 19691340 SBQZIDOTSLOJHX-DEOSSOPVSA-N 404.485 5.111 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1Sc1ccccc1 20110428 RHXCOEXBYCMCCM-XMMPIXPASA-N 413.542 6.787 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)c4ccc(C)c(Cl)c4)ccc3o2)cc1OC 20411915 HQEPJOOSMUGMIR-UHFFFAOYSA-N 422.868 5.726 0 40 HKAB CC(=O)C[C@H](c1ccccc1)c1c(O)c2ccc(OCc3ccccc3)cc2oc1=O 22051452 VWMPIXQSCDHVKC-JOCHJYFZSA-N 414.457 5.189 0 40 HKAB in-vitro O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCC[C@H]1c1ccc(Cl)cc1 30364747 GEPGYFWZIMGDKW-FQEVSTJZSA-N 409.917 5.061 0 40 HKAB COc1ccc([C@@H]2CCCCCN2C(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1 40005365 NAKRWFPAMRUAEP-LOSJGSFVSA-N 418.537 5.103 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 44933878 FSAVPHWIRKWHAV-HXUWFJFHSA-N 414.549 5.135 0 40 HKAB C[C@H](NC(=O)c1cccnc1Oc1cccc(Br)c1)c1cccs1 46904923 SMFWLRDYDMQMFX-LBPRGKRZSA-N 403.301 5.189 0 40 HKAB CCN(Cc1ccccc1)Cc1nc2sc(C)c(-c3ccc(C)cc3)c2c(=O)[nH]1 57432311 FFNCOFRRIHWDAL-UHFFFAOYSA-N 403.551 5.291 0 40 HKAB Cc1c(Cl)cccc1NC(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 58325478 KMYOVPZHQOIQHM-NRFANRHFSA-N 404.901 5.446 0 40 HKAB CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 64858520 ISBSSBGEYIBVTO-KZZPQNDPSA-N 418.662 5.474 0 40 HKAB CCCCc1ccc(NC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1 64872293 MJMHIZOIFAJDFX-UHFFFAOYSA-N 414.574 7.109 0 40 HKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)N(C)c2ccccc2)cc1 71328035 KXFASKYMPURHKO-UHFFFAOYSA-N 423.582 5.199 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 72229981 FGPRPWJMHQWTAN-HXUWFJFHSA-N 402.277 5.336 0 40 HKAB Cc1ccc(-c2noc(-c3cn(-c4ccc(Cl)cc4)c(=O)c4ccccc34)n2)cc1 96324386 ANAXETOGONNRBW-UHFFFAOYSA-N 413.864 5.670 0 40 HKAB Cc1cccc(-n2c(-c3ccc(Cl)cc3)cs/c2=N\C(=O)c2ccccc2)c1 100840824 SJRAYDBVSPUTGV-BZZOAKBMSA-N 404.922 5.909 0 40 HKAB COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)c1 102865233 URNFMROWNCUSOS-DEOSSOPVSA-N 418.537 6.144 0 40 HKAB CC(=O)O[C@@H]1/C(=C/c2ccccc2)C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 118927683 MYXPLINCZQMSCW-WTKWRXLXSA-N 406.610 7.044 0 40 HKAB C=CCc1cccc2cc(-c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)c(=O)oc12 142447314 CQOLBYUJQSQHBK-UHFFFAOYSA-N 424.887 6.452 0 40 HKAB CCCOc1ccccc1CCCNC(=O)CC(c1ccccc1)c1ccccc1 219129363 SUIQZRNFGKMAES-UHFFFAOYSA-N 401.550 5.746 0 40 HKAB O=C(CCCCCc1ccc(-c2ccccc2)cc1)OCc1ccc2c(c1)OCO2 222157151 WAFJKVGCIWVHQC-UHFFFAOYSA-N 402.490 5.929 0 40 HKAB in-vitro COc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1C(C)C 223348988 WZKHMTKMFYLNEV-OAQYLSRUSA-N 422.613 5.525 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1C 224274929 NMJFZQOAPKIRIA-DQEYMECFSA-N 424.573 5.666 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C)c3ccccc3)o2)cc1 224916307 SEPPUBPWWSKYCJ-SFHVURJKSA-N 412.489 5.898 0 40 HKAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)N[C@@H](C)CC)cc1 225550032 LNOKWGXXTVYRHS-OFVILXPXSA-N 422.613 5.212 0 40 HKAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(OC3CCCC3)cc1)CC(C)(C)O2 225675851 IELLJMQUYBBJMQ-NRFANRHFSA-N 410.583 5.905 0 40 HKAB COC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1cccc(Cl)c1Cl)N2 247840839 NUZQUUYDZHIJEP-DQPUAETESA-N 402.321 6.077 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 253617404 YMMFNKXZULYSOQ-RGCAWARNSA-N 420.678 5.554 0 40 HKAB O=C1CS[C@@H](c2cccc(OCc3ccc(F)cc3)c2)N1c1ccc(Cl)cc1 408557867 QHIIUNRVYWANAN-QFIPXVFZSA-N 413.901 5.837 0 40 HKAB CCCc1s/c(=N\C(=O)c2ccccc2Cl)n(CC)c1-c1ccc(Cl)cc1 408559700 BIGVDKKMRFCSKW-FLFQWRMESA-N 419.377 6.237 0 40 HKAB CCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(CC)c1-c1ccc(F)cc1 408561121 GRUALWUHYWUMCP-RWEWTDSWSA-N 412.574 5.582 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(C)cc2)cc1 408699020 QXQHUPXFCAILGY-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)c(OC)c(Cl)c3)S2)cc1 408767058 IDNLBETVHLIMMG-NXIIHZOPSA-N 409.338 5.164 0 40 HKAB CCc1ccc(-c2cc(C(=O)OCC(=O)c3cccs3)c3ccccc3n2)cc1 409181230 ZVFMPEAFXLBGSW-UHFFFAOYSA-N 401.487 5.565 0 40 HKAB Cc1cc(OCOc2cc(C)c(Br)c(C)c2)cc(C)c1Br 2362803789 LIZDUUCOGIWUKJ-UHFFFAOYSA-N 414.137 5.861 0 40 HKAB Cc1c(NC(=S)NC(=O)CC(C)C)cccc1-c1nc2cc(Cl)ccc2o1 724358 ZRMAPYYKDNTRBF-UHFFFAOYSA-N 401.919 5.316 0 40 HKAB Cc1sc2ncnc(SCC(=O)Nc3ccccc3N3CCCCC3)c2c1C 928950 FADPGISSUXNOCZ-UHFFFAOYSA-N 412.584 5.029 0 40 HKAB COc1ccc2[nH]c(SCc3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)nc2c1 1085569 VZWCJQHXJOSPIA-UHFFFAOYSA-N 423.925 5.770 0 40 HKAB COc1ccc(NC(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCCC2)cc1 1353058 DFKRBHXBKFNJPG-UHFFFAOYSA-N 419.525 5.212 0 40 HKAB COc1ccc(NC(=O)Cn2c(CSc3ccc(C)cc3)nc3ccccc32)cc1 1400648 PHSLLWUFGHTARB-UHFFFAOYSA-N 417.534 5.284 0 40 HKAB COc1ccc([C@@H](OC(=O)c2ccccc2Cl)c2nccc3ccccc23)cc1 1448901 BLDWOSLRHNFAMA-HSZRJFAPSA-N 403.865 5.843 0 40 HKAB c1ccc(C2=NC[C@](c3ccccc3)(C3(c4ccccc4)SCCCS3)O2)cc1 1557516 YPDXNKWXEPBALI-DEOSSOPVSA-N 417.599 6.082 0 40 HKAB Oc1c(Br)cc(-c2ccc(Br)cc2)cc1Br 1621370 CHRLNCWLRQNNGV-UHFFFAOYSA-N 406.899 5.347 0 40 HKAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CC[C@@H](C)C2 1807798 ZVPXIXGMIRMTDI-SVTZGKHISA-N 403.931 5.355 0 40 HKAB COc1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)c1 1823250 SSYCMIHIBNZODK-UHFFFAOYSA-N 421.953 6.197 0 40 HKAB Cc1cc2oc(C(=O)N(Cc3ccccc3)Cc3ccco3)cc(=O)c2cc1Cl 2228027 ICPGIIRQUQYFIZ-UHFFFAOYSA-N 407.853 5.190 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1 2269946 FZILTYSFHCBIKA-UHFFFAOYSA-N 401.466 5.629 0 40 HKAB CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 2404746 ABVNHGXMWFCWCN-VWLOTQADSA-N 423.512 5.704 0 40 HKAB CCCCc1oc2ccccc2c1C(=O)c1ccc(O)c(I)c1 2576322 SPJWRQCARFHMEB-UHFFFAOYSA-N 420.246 5.317 0 40 HKAB in-vitro CC(C)Cn1nc(NC(=O)c2ccc(C(C)(C)C)cc2)c2cc3ccccc3nc21 2604866 RGDNBPPUZAYISS-UHFFFAOYSA-N 400.526 5.790 0 40 HKAB COCCCn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N\c1cccc(C)c1 2663458 RIASARUYDRQTAX-RQZHXJHFSA-N 414.574 6.461 0 40 HKAB Clc1ccc(-c2csc3ncnc(Sc4nnnn4-c4ccccc4)c23)cc1 2887432 HZWCFJHTNBMQSB-UHFFFAOYSA-N 422.926 5.139 0 40 HKAB CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2C[C@H]2CCCO2)cc1 2973991 ZOTCQENVWXDMTH-LJQANCHMSA-N 408.567 5.165 0 40 HKAB O=C(CCCOc1ccc(Cl)cc1Cl)N1CCC(Cc2ccccc2)CC1 3100580 IINWCTIDIJTJQL-UHFFFAOYSA-N 406.353 5.634 0 40 HKAB O=C(COc1ccc2cc(Br)ccc2c1)c1ccc(-c2ccccc2)cc1 3326344 QGSMUZLJPJEKBJ-UHFFFAOYSA-N 417.302 6.531 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1Cl 3418697 RMAVTHXPFJLQEV-UHFFFAOYSA-N 422.311 7.052 0 40 HKAB COc1ccc(-c2nnc(S[C@@H](C(=O)c3ccccc3)c3ccccc3)o2)cc1 4470059 BEPIRURCBIHSGZ-OAQYLSRUSA-N 402.475 5.462 0 40 HKAB CC[C@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)C)cc1 4663675 WOCICPKRZGZPEY-RAHIQWLESA-N 412.577 7.038 0 40 HKAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(F)cc2)n2c(nc3ccccc32)N1 4767882 YVAMIAGACHSJPK-QFIPXVFZSA-N 405.473 5.340 0 40 HKAB COc1ccc(/C=C/C(=O)n2c(SCc3ccc(C)cc3)nc3ccccc32)cc1 4813290 HTMIKOVXGKHVCT-DTQAZKPQSA-N 414.530 5.999 0 40 HKAB Cc1ccc(C(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)cc1 4848144 VQUHJIBVGHSZQM-UHFFFAOYSA-N 410.568 5.363 0 40 HKAB Cc1ccc(C)c(OCCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1 4910895 VRKDXXZKVZDRJN-HXUWFJFHSA-N 419.569 5.237 0 40 HKAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2cccc3ccccc23)c1 5240078 VSSFZBWEWUATCI-UHFFFAOYSA-N 405.457 5.100 0 40 HKAB COc1cc(OC)cc(O[C@H](C)C(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 5497513 SGOZEAZMJMAMAT-CQSZACIVSA-N 421.449 5.018 0 40 HKAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccccc1C(F)(F)F 5976935 AUEJOOGAHOPKOW-UHFFFAOYSA-N 415.367 5.293 0 40 HKAB Cc1ccc(-c2nc(COC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cs2)cc1 6053999 HZTIFHOIBJHLJI-OAQYLSRUSA-N 409.507 5.033 0 40 HKAB CCOc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C/C=C/c2ccccc2)ccc1O 6464563 XGYONAAGJOZHRO-YVMFTWTESA-N 407.554 5.172 0 40 HKAB CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)C(c1ccccc1)c1ccccc1 6736961 VFYNKEFTKZSTNQ-UHFFFAOYSA-N 411.505 5.306 0 40 HKAB CCOc1cc(CNCCc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 8254531 OSFURVFARSBYFU-UHFFFAOYSA-N 413.920 5.789 0 40 HKAB CCOc1cc(CN[C@H](C)CC)cc(Cl)c1OCc1ccc(Cl)cc1Cl 8325907 ZZXNWHRKLZSHCN-CYBMUJFWSA-N 416.776 6.513 0 40 HKAB Clc1ccc(Sc2cc3cc(Cl)ccc3nc2-c2ccc(Cl)cc2)cc1 8782262 GFHMFUKWCWDSBQ-UHFFFAOYSA-N 416.760 8.013 0 40 HKAB CCCSc1ccccc1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 8782421 ZSBDZLBYCIFQCG-UHFFFAOYSA-N 419.959 5.525 0 40 HKAB O=C(/C=C/c1ccc(Br)cc1)Nc1cccc(NC(=O)c2ccccc2)c1 8843199 REEZMRPRULJINM-SDNWHVSQSA-N 421.294 5.353 0 40 HKAB Cc1cccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(Cl)c2)n1 8845937 VAJYJZFOUSAKMX-FQEVSTJZSA-N 420.827 5.039 0 40 HKAB CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)C3CCCCC3)c2c1 9340616 BQTHVROLJDCLEU-UHFFFAOYSA-N 415.489 6.287 0 40 HKAB COc1ccc2cc(CN[C@H](Cc3ccccc3)c3ccccc3)c(Cl)nc2c1 12858731 XYXHUBNVTVBRSC-HSZRJFAPSA-N 402.925 5.970 0 40 HKAB COc1cc(C(=O)Oc2c(Cl)cc(Cl)c3ccc(C)nc23)cc(OC)c1OC 13042358 NSLZSQKADDGBBY-UHFFFAOYSA-N 422.264 5.095 0 40 HKAB CC(C)CNC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1 13686703 KNLKLMXDCYJYKZ-UHFFFAOYSA-N 400.522 5.233 0 40 HKAB CC(C)CCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 13942449 JHQIJHJALPMDFX-SANMLTNESA-N 412.508 6.565 0 40 HKAB Cc1ccc(NC2=N[C@@](c3ccccc3)(C(F)(F)F)Oc3cc(C(C)C)ccc32)cc1 15906385 FKVLZXUFARXBMD-XMMPIXPASA-N 424.466 6.785 0 40 HKAB O=C(CSc1ccccc1C(=O)NC1CCCC1)Nc1cc(Cl)cc(Cl)c1 16050570 BCPXITWHODAVHE-UHFFFAOYSA-N 423.365 5.397 0 40 HKAB CCC(=O)N1N=C(c2ccc(C)cc2)Sc2c1nc(C1CCCCC1)n2C(=O)CC 16807182 RVAWBQDUGZTEBZ-UHFFFAOYSA-N 424.570 5.500 0 40 HKAB O=C(NC(=S)Nc1ccc(CN2CCCCC2)cc1)c1cc(Cl)ccc1Cl 17092935 KLLOMEWESIHGTP-UHFFFAOYSA-N 422.381 5.106 0 40 HKAB O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)C(Cl)(Cl)Cl 17093951 MUHIBOSGEBLYRU-UHFFFAOYSA-N 424.498 6.110 0 40 HKAB CC(C)Oc1ccc(CNc2ncnc(Cc3ccc(C(C)C)cc3)c2[N+](=O)[O-])cc1 26505329 DLXSCQUOPPVXCG-UHFFFAOYSA-N 420.513 5.498 0 40 HKAB Cc1nn2c(NCCc3ccccc3)cc(-c3ccccc3)nc2c1-c1ccccc1 27584993 LLOFUQDUKZQILS-UHFFFAOYSA-N 404.517 6.026 0 40 HKAB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1 32125154 DLROVLAVLXQVHJ-UHFFFAOYSA-N 422.381 5.357 0 40 HKAB Cc1ccsc1C(=O)Nc1c(C)nn(COc2ccc(Cl)cc2Cl)c1C 32610222 VHKCDKLHGSWXGM-UHFFFAOYSA-N 410.326 5.465 0 40 HKAB O=C(NC(=S)Nc1cccc2cc(O)ccc12)C(c1ccccc1)c1ccccc1 33730905 IDMVCQSQWWBJSU-UHFFFAOYSA-N 412.514 5.191 0 40 HKAB Cc1cccc(C2(C(=O)Nc3nc(-c4cc(C)sc4C)cs3)CCOCC2)c1 35316934 ZUVLYCQIVCROKX-UHFFFAOYSA-N 412.580 5.484 0 40 HKAB COc1cccc([C@@H]2CC(O)=Nc3nc(N4CCCCC4)sc32)c1OC(C)C 36357278 XEEUFMIENHDVJD-HNNXBMFYSA-N 401.532 5.053 0 40 HKAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccc2[nH]c(-c3cccs3)nc2c1 40158524 DNZZTBLOTOYUDT-UHFFFAOYSA-N 414.490 5.436 0 40 HKAB Cc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccccc3Cl)n2)cc1 46012130 NYBHTFFOYNBTBY-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB Cc1cccc(-c2nc(C)c(-c3cc(C(=O)N4CCc5ccccc5C4)[nH]n3)s2)c1 49002310 VPYOTAPUSYAKII-UHFFFAOYSA-N 414.534 5.016 0 40 HKAB Cc1ccc(-c2noc(-c3nn(-c4ccc(C)c(C)c4)c(=O)c4ccccc34)n2)cc1C 64950049 HJLHHAYPCFNQCS-UHFFFAOYSA-N 422.488 5.336 0 40 HKAB COc1ccc(Cl)cc1NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1 71761628 XAAAVFYDSFXDGB-UHFFFAOYSA-N 401.875 5.003 0 40 HKAB COCc1nc(N[C@@H](COC)c2ccc(C)o2)c2c(-c3ccccc3)csc2n1 72310987 KASFOOZNXRAWPN-KRWDZBQOSA-N 409.511 5.206 0 40 HKAB Cc1ccn2c(CN3CCC[C@H]3c3cccc(Nc4cccc(C)n4)n3)c(C)nc2c1 72375782 GJTIPZMEYYYBPG-NRFANRHFSA-N 412.541 5.130 0 40 HKAB Cn1ncc(C(=O)N[C@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)c1C(F)F 95458906 IYDXRFGVHSYONC-CJNGLKHVSA-N 415.406 5.223 0 40 HKAB Cc1ccc2c(-c3cc4c(CNCc5ccccc5)cnc(C)c4o3)cc(=O)oc2c1C 95475818 LAIACZNLJCSANG-UHFFFAOYSA-N 424.500 5.816 0 40 HKAB O=C(COc1ccccc1F)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 96398732 FJPHBQRGPJCXIG-KFDXKQPRSA-N 420.440 5.214 0 40 HKAB CCOc1ccc([C@H]2C=C(c3cccs3)Nc3nc4ccccc4n32)c(OC)c1 101353642 AKOJRGZZRGTZEO-HXUWFJFHSA-N 403.507 5.561 0 40 HKAB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@@H](c4ccc(O)cc4)C3=C(O)C2)cc1 102732391 XZFIRAAOFSCVMF-KSFYIVLOSA-N 402.450 5.305 0 40 HKAB OC1=C2C(=Nc3nc4ccccc4n3[C@@H]2c2cccs2)C[C@@H](c2ccc(F)cc2)C1 102889777 YHSUZALENUYFEY-IQMFZBJNSA-N 415.493 6.302 0 40 HKAB COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc12 106687051 DXYUCPXUUQJQRL-NDENLUEZSA-N 409.894 5.738 0 40 HKAB Cc1ccc(COc2ccc(/C=C(\Sc3nc4ccccc4o3)C(=O)O)cc2)cc1 211506800 NKSFKJBMRXVVMR-HMAPJEAMSA-N 417.486 5.933 0 40 HKAB CC(C)c1ccc(OCC(=O)NCCCc2ccc(Cl)cc2)c(Br)c1 218873953 SYUHKRCREIAJKW-UHFFFAOYSA-N 424.766 5.354 0 40 HKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1nnc(SCc2ccccc2)s1 223773171 SAUUZJZKRBCAHQ-HNNXBMFYSA-N 419.959 5.280 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)c1 224230841 LMPCFRVSMMBKHP-GOTSBHOMSA-N 414.534 5.010 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NC3CCCCCCC3)o2)cc1 224914309 LJZBHEGZSFVAGU-UHFFFAOYSA-N 404.510 5.860 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 225827125 WKGSMVNDBATULH-QHCPKHFHSA-N 407.551 5.212 0 40 HKAB O=C(O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226334166 RXHRNRZBNXQSQB-ZZXKWVIFSA-N 402.071 5.433 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 252189514 RJQXEDHGUKIIPC-CABCVRRESA-N 407.341 5.778 0 40 HKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3cccc4ccccc34)sc2n1 408622538 RAIYJKWWPLILBS-UHFFFAOYSA-N 420.563 5.419 0 40 HKAB CC(C)COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 408624870 CVYDDDSFFAAGLA-UHFFFAOYSA-N 400.478 5.460 0 40 HKAB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(Cl)cc2)C1=O 408800094 KJNSRCQVHRGALU-YLXKOEIFSA-N 411.978 6.394 0 40 HKAB CCCc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc(OCC)cc1 408825901 RYYWPAGKHBAGLD-UHFFFAOYSA-N 400.931 6.067 0 40 HKAB COc1ccc(/C=C(/C(=O)NCCSc2ccc(C)cc2)c2ccccc2)cc1 408910843 LSLXPKIQPNSLQJ-HKOYGPOVSA-N 403.547 5.453 0 40 HKAB CC(C)=CCC[C@@]1(C)Oc2c(-c3ccccc3C(=O)O)cccc2[C@@H]2OCCC[C@H]21 585265738 NSKGUXYAWFQNNW-KTIWRFAQSA-N 406.522 6.417 0 40 HKAB CCOC(=O)C1=C(CC)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(OC)cc1OC 1547208959 SHNWPUXRQRCCNJ-HXUWFJFHSA-N 413.514 5.101 0 40 HKAB Cc1c(C)n(C[C@@H](O)Cn2cnc(-c3ccccc3)c2-c2ccccc2)c2ccccc12 707003 IFTGIXOZPDAXLO-DEOSSOPVSA-N 421.544 5.850 0 40 HKAB Cc1cccc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)c1 725323 HIARSAXLSJWBIW-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB COc1ccccc1OCC(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 848371 JODHFVHAZDJDLC-UHFFFAOYSA-N 423.321 5.067 0 40 HKAB O=C(Nc1ccccc1Cl)c1sccc1OCc1cccc(C(F)(F)F)c1 1397019 YIQNOOBEGHCXSG-UHFFFAOYSA-N 411.832 6.252 0 40 HKAB CCCc1c(-c2ccccc2)nc(N)nc1-c1nc(N)nc(-c2ccccc2)c1CCC 1588434 XWRSTZCIZPPMJL-UHFFFAOYSA-N 424.552 5.337 0 40 HKAB CCCCCCc1c(C)c2ccc(OCC(=O)c3cccc(OC)c3)c(C)c2oc1=O 2146548 PRXWHGLUXXHWLB-UHFFFAOYSA-N 422.521 5.803 0 40 HKAB biogenic CC[C@@H](C)NC(=O)CSc1nnc(-c2cc(-c3cccs3)nc3ccccc23)o1 2664659 CNWMQUFTJVLDKB-CYBMUJFWSA-N 424.551 5.020 0 40 HKAB CC(C)(C)[C@H]1CCc2nc(NC(=O)c3ccc(OCc4ccccc4)cc3)sc2C1 3207640 SRVDMIHSFWSWQO-IBGZPJMESA-N 420.578 6.125 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)CSc3nncn3-c3ccccc3)cc2)cc1 3410618 BPIXFSLNUJOHAN-UHFFFAOYSA-N 416.506 5.099 0 40 HKAB COc1cc2c(cc1NC(=O)CSc1ccc3c(c1)OCCO3)oc1ccccc12 3489369 NOQWXVKJSGSLIM-UHFFFAOYSA-N 421.474 5.097 0 40 HKAB CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2 4176186 QKIYJNQVAAFUFG-UHFFFAOYSA-N 407.539 5.786 0 40 HKAB CC[C@@H](C(=O)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12)c1ccccc1 4267434 LXZWTGJTQSWFCR-QGZVFWFLSA-N 416.452 5.957 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc2c1CCCCCC2 4612008 NJPAGOXCNAEFKI-UHFFFAOYSA-N 421.946 5.498 0 40 HKAB O=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)S1 4739892 JWTUPBOIUAJJMU-HMAPJEAMSA-N 417.486 5.169 0 40 HKAB S=C(Nc1cccc(Cl)c1)N(CCc1nc2ccccc2[nH]1)Cc1ccccc1 4861855 VMOQSOVAAKWVSL-UHFFFAOYSA-N 420.969 5.658 0 40 HKAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)o2)c(C)n1CCC1=CCCCC1 5213878 CHBIFXHOJHTFPS-UHFFFAOYSA-N 422.554 5.415 0 40 HKAB CCSc1ccccc1C(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 5240769 KFHLZRXDSMFSQY-UHFFFAOYSA-N 400.525 5.192 0 40 HKAB CCC(CC)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc(Cl)cc1Cl 5642669 AIBCXEKWZSKDLD-OAHLLOKOSA-N 400.331 5.031 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(C(C)C)cc4)cc3)nc2c1 5953933 SYMCVSXULXKCCM-GOSISDBHSA-N 412.533 7.384 0 40 HKAB Cc1cc(C)c(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c(Cl)c1 6275713 LQMFEIYIFSTSCF-UHFFFAOYSA-N 407.857 5.178 0 40 HKAB Cc1ccccc1C(=O)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 6614632 DNICWGORZLKQFI-UHFFFAOYSA-N 403.532 5.399 0 40 HKAB Cc1ccc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)cc1F 6792578 CJBZPWMFXLQMAZ-UHFFFAOYSA-N 411.440 5.008 0 40 HKAB CCc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 6943746 DZIDONJKABUKQO-HYARGMPZSA-N 419.912 5.407 0 40 HKAB C[C@H](NC(=O)CSc1nc2cc(Cl)ccc2o1)C12CC3CC(CC(C3)C1)C2 7157192 QUMCRWBVDDBGEG-PXRHCINRSA-N 404.963 5.294 0 40 HKAB C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccccc1Cc1ccccc1 7344711 WECMNWUFTIZPOI-QGZVFWFLSA-N 422.525 5.115 0 40 HKAB CCn1c(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1C1CC1 7618360 OXDRDLZUOHFNSJ-OAQYLSRUSA-N 402.523 5.373 0 40 HKAB Cc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NCc4ccc(F)cc4)C3)c2C)cc1Cl 8624216 WXLGANARIOYVAO-TZIWHRDSSA-N 409.936 5.792 0 40 HKAB biogenic,in-vitro Cc1ccc(C(=O)c2c(N)c(-c3nc(-c4ccc(C)cc4)cs3)c3ccccn23)cc1 8844885 FAHXEJFFYLKGNI-UHFFFAOYSA-N 423.541 6.160 0 40 HKAB CCCOc1ccc2nc(NC(=O)c3sc(-c4ccccc4)nc3C)sc2c1 9250305 MBCXGNWYMNTYCF-UHFFFAOYSA-N 409.536 5.769 0 40 HKAB COc1cc(-c2nc3cc(NC(=O)c4ccc(C)cc4)ccc3o2)cc(OC)c1OC 10120152 ZTXUFFVOBRCNMD-UHFFFAOYSA-N 418.449 5.081 0 40 HKAB Cc1cc(C)c(NC(=O)CSc2nnc3cc(C)c4cccc(C)c4n23)c(C)c1 11903171 REVVRZIJZKPPLP-UHFFFAOYSA-N 404.539 5.155 0 40 HKAB C[C@H](N[C@H](C)c1cccc2ccccc12)C(=O)Nc1ccc(N2CCCCC2)cc1 12578470 LXCBYNFZXANPAE-UXHICEINSA-N 401.554 5.508 0 40 HKAB COc1ccc(Cl)cc1NC(=O)CSCc1nc(-c2ccccc2)oc1C 12920897 WZOXSEDUBVGMJW-UHFFFAOYSA-N 402.903 5.184 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccccc1)[C@H](C)Cc1cccs1 13097168 AIZKHDDPBMYLEV-GOSISDBHSA-N 413.970 5.749 0 40 HKAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1ccccc1CCc1ccccc1 13684963 DLHYQJNUNBKTSW-UHFFFAOYSA-N 424.500 5.247 0 40 HKAB CSCC[C@H]1Oc2ccccc2[C@H]2CC(c3cccc(Br)c3)=NN12 13758270 JIFSUSNWFDLSOD-IEBWSBKVSA-N 403.345 5.072 0 40 HKAB COc1cccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)c1OC 14132312 AMERJLVJVILOGY-DEDYPNTBSA-N 405.475 5.094 0 40 HKAB Cc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)C[C@@H](c1cc(F)cc(F)c1)C3 14163825 FMSRMISVIRZSPH-HNNXBMFYSA-N 407.395 5.035 0 40 HKAB COc1cc(OC)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1OC 15016167 LHZSDJAGDKHODQ-SBUREZEXSA-N 422.506 5.016 0 40 HKAB CC(=O)Nc1ccc2nc(NC(=O)COc3ccc(C4CCCCC4)cc3)sc2c1 16321417 DOEVPVYWYDLYNK-UHFFFAOYSA-N 423.538 5.320 0 40 HKAB Cc1ccc(C)c(NC(=O)COc2cccc3ccc(N4CCC[C@@H](C)C4)nc23)c1 17026256 QMEJNBVOJMUSHG-GOSISDBHSA-N 403.526 5.105 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1c(F)c(F)c(F)c(F)c1F 17092891 ICXQXOXOMIZJCI-UHFFFAOYSA-N 422.284 5.582 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 21579288 IQRGRJRKYCMELC-MDWZMJQESA-N 400.434 5.164 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(Br)c1 21580287 ADGQUZJLGONUBN-UHFFFAOYSA-N 422.282 5.253 0 40 HKAB CC(C)[C@@H](NCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1ccc(Cl)cc1 24258801 PSSYEKJRBYZYSY-OAQYLSRUSA-N 423.969 5.792 0 40 HKAB CCOc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)no2)cc1 27745065 QHKKCYKGYFKVGK-UHFFFAOYSA-N 410.779 5.665 0 40 HKAB Cc1ccc2c(c1)N(C(=O)/C=C\c1ccccc1)C(C)(C)c1ssc(=S)c1-2 31934183 WGLIWBHKLXFQFU-BENRWUELSA-N 409.601 6.810 0 40 HKAB Cc1ncc(NC(=O)c2cc3ccccc3o2)n1-c1nc(-c2ccc(F)cc2)cs1 32615940 LOBITWKTSRJDJK-UHFFFAOYSA-N 418.453 5.442 0 40 HKAB COc1cc(/C=C/C(=O)Nc2ccc(Nc3ccccc3)cc2)cc(OC)c1OC 32904329 XBYXBMQBVWDICY-NTEUORMPSA-N 404.466 5.108 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2sccc2-c2nc3ccccc3s2)cc1OC 35590722 SDWNSPRMFCXDBP-CSKARUKUSA-N 422.531 5.694 0 40 HKAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc(-c3ccccc3F)o1)CC(O)=N2 36359561 URCCEBNRNGDRPK-CYBMUJFWSA-N 423.835 5.147 0 40 HKAB O=C(NCc1cc2cc(F)ccc2s1)c1ccccc1SC[C@@H]1CCCO1 40135177 NAQMDRMVOAXAIB-INIZCTEOSA-N 401.528 5.242 0 40 HKAB Clc1cc(Cl)c2c(c1)[C@@H]1CC(c3cccc4ccccc34)=NN1C1(CCCC1)O2 40486307 ALMJAUPPOROVQM-QFIPXVFZSA-N 423.343 6.960 0 40 HKAB CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccc(C)cc1Cl 41078094 WYKMJYQYVREIQJ-UHFFFAOYSA-N 411.933 5.551 0 40 HKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3nc4ccc(Cl)cc4s3)c2c1 46086145 NXKRHEOZAAQNJK-UHFFFAOYSA-N 414.914 6.436 0 40 HKAB Cc1ccc2c(c1)c1c3n2CCN(CC(=O)c2ccc(Br)cc2)[C@@H]3CCC1 57840353 WIPIKMWZAOSLES-OAQYLSRUSA-N 423.354 5.288 0 40 HKAB Cn1ccnc1Sc1ccccc1NC(=O)/C=C/c1ccc(Br)s1 58157398 CDMRFIWYUYZNQM-VQHVLOKHSA-N 420.357 5.047 0 40 HKAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(C)c(C)c3)C(=O)[C@@H]12 59433421 MGHRHDBICUBGPV-MSVKLTOBSA-N 407.513 5.264 0 40 HKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 95933389 FNKOKHZCQSJJOQ-XQCMKDIZSA-N 424.713 8.089 0 40 HKAB Cc1ccc(NC(=O)[C@H]2c3c(ncn3C(C)C)CCN2Cc2ccccc2)cc1Cl 96037519 SMJXCJMQMMITMZ-HSZRJFAPSA-N 422.960 5.164 0 40 HKAB COc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1cccc(Cl)c1 107036139 XAUIGDQYLVUAOF-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 222844843 CZRUNKKFPJPWLK-BJKOFHAPSA-N 412.562 5.406 0 40 HKAB CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 223404515 QGBBGHUHSYPASE-XMMPIXPASA-N 420.940 5.055 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COCc1ccccc1 224750111 BDCMAYRRRKOCAK-UHFFFAOYSA-N 403.478 5.257 0 40 HKAB CC[C@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(C)cc1C 225715087 LAMHRVQUGJNVIR-DEOSSOPVSA-N 420.647 7.033 0 40 HKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225716262 WCSVYJUNXLYSPK-DEOSSOPVSA-N 408.586 5.075 0 40 HKAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc(Oc2ccccc2)cc1 225810967 LNSHRRRZZBLVGM-UHFFFAOYSA-N 419.868 5.754 0 40 HKAB CCOC(=O)c1cc(Cl)c(OCc2cccc(Br)c2)c(Cl)c1 226326180 ZWQUBBURGOUURZ-UHFFFAOYSA-N 404.087 5.512 0 40 HKAB CCCc1s/c(=N\C(=O)c2ccc(F)cc2)n(CC)c1-c1ccc(Cl)cc1 408564579 ZRHFIHGNPJZIGU-FLFQWRMESA-N 402.922 5.723 0 40 HKAB CC(C)c1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 408621608 NAOUCSPLNGSMJR-UHFFFAOYSA-N 404.535 5.516 0 40 HKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 408649340 XTIMMZZLFINEHG-INIZCTEOSA-N 406.869 5.124 0 40 HKAB CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@@H](c2ccccc2)N3)CC1 409174617 VQRFBLORMDWYOW-WQLLKYAWSA-N 400.566 5.855 0 40 HKAB COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1cccc(F)c1 409180528 WLTMTOBVLNHHTP-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc(F)c3)n2C)cc1 409197883 QZKADQAUNIUAHM-LCUIJRPUSA-N 402.494 5.609 0 40 HKAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)CCCc3ccccc3)[C@](O)(C(F)(F)F)[C@H]2C1 409351721 AIHWAGYKNUQQLZ-KGVIQGDOSA-N 424.507 5.311 0 40 HKAB CC[C@H]1[C@@H](O)[C@H]2[C@@H](CC[C@]3(C)[C@H]([C@@H](C)CCC(=O)O)CC[C@H]23)[C@@]2(C)CC[C@H](O)C[C@H]12 504760867 ZXERDUOLZKYMJM-MLWUIEEMSA-N 420.634 5.114 0 40 HKAB CCCCC(=O)N1CCCCN(CCC)C(=O)c2ccccc2O[C@H]2CCCC[C@H]21 643562195 MGDGVAHMERZHQT-GGAORHGYSA-N 414.590 5.041 0 40 HKAB CC[C@]1(c2ccccc2)NC(=O)N(c2ccc(Oc3cccc(Cl)c3)cc2)C1=O 1615612209 DIDXUVBSVISFGF-HSZRJFAPSA-N 406.869 5.494 0 40 HKAB CCOc1ccc2[nH]c(=O)c(-c3nc4c(C)cccn4c3NC3CCCCC3)cc2c1 1330357 OYGHQGQVMJWJEO-UHFFFAOYSA-N 416.525 5.295 0 40 HKAB Cc1ccc(NC(=O)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C2CCCC2)cc1 1360946 UJSRKMDYEBDEDQ-UHFFFAOYSA-N 403.526 5.430 0 40 HKAB Cc1c(CNC(=O)c2cccc(Cl)c2)c(-n2cccc2)n(Cc2ccccc2)c1C 1398803 CLTAFZCGIWFLLV-UHFFFAOYSA-N 417.940 5.527 0 40 HKAB Cc1cccc(C)c1NC(=O)C1(N(C)C(=O)c2ccc3ccccc3n2)CCCCC1 1418683 UXUJPLIHNXOHTC-UHFFFAOYSA-N 415.537 5.265 0 40 HKAB Cc1nc2ccccc2n1C[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 1512701 HHPWQHXESKTGSZ-KRWDZBQOSA-N 424.331 5.821 0 40 HKAB O=c1c(SCc2ccccc2)c(SCc2ccccc2)cnn1-c1ccccc1 1692124 GBLGVAZRPHWBIU-UHFFFAOYSA-N 416.571 5.817 0 40 HKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 1771791 HFXZLIWJKALGNQ-KRWDZBQOSA-N 414.596 5.437 0 40 HKAB Cc1cc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)ccc1Br 2235119 LEOMMHWUSXGFHL-UHFFFAOYSA-N 415.294 5.707 0 40 HKAB Cn1c(NC(=O)c2ccc(F)cc2)c(-c2ccccc2Cl)c(=O)c2ccccc21 2236391 CUBAVMBMVHOYHD-UHFFFAOYSA-N 406.844 5.250 0 40 HKAB Fc1cccc(F)c1CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 2357910 AMFJUNIHALIUMO-UHFFFAOYSA-N 417.868 5.810 0 40 HKAB CCCCc1nc2sc3c(NCCCOC)nc(SC)nc3c2c2c1CCC2 2420460 PKZZUTVHMNCMJM-UHFFFAOYSA-N 416.616 5.241 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3c(-c4ccccc4)noc3C)n2)cc1OC 2620275 JDCDXAJDPPWSGR-UHFFFAOYSA-N 421.478 5.043 0 40 HKAB O=C(Cc1ccc(Cl)cc1)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2669392 OMWBUVXUFRTOGM-UHFFFAOYSA-N 411.741 5.875 0 40 HKAB O=c1c2sccc2nc(SCc2cccc(F)c2)n1Cc1ccccc1F 2908936 KQQQTNTXYZHEMZ-UHFFFAOYSA-N 400.475 5.077 0 40 HKAB CN(C)[C@H](CNC(=O)CCN1c2ccccc2Sc2ccccc21)c1ccccc1 3304425 MJSFIRRVPYLULN-JOCHJYFZSA-N 417.578 5.099 0 40 HKAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc2ccccc2n1 3320725 FJGASQSXHVHTTB-VWLOTQADSA-N 406.441 5.497 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(NC(=O)CCCc3cccs3)cc2)cc1 3324860 YGHDKZOKIJGUND-UHFFFAOYSA-N 408.523 5.361 0 40 HKAB O=C(Nc1ccccc1N1CCCCC1)c1ccccc1OCc1ccc(F)cc1 3344637 AFFMYTWKILGYFG-UHFFFAOYSA-N 404.485 5.647 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](N[C@@H]1CCCc2ccccc21)c1ccccc1 3351660 LFKBKQKEYPIDKA-RDGATRHJSA-N 400.522 5.432 0 40 HKAB Cc1cccc(NC(=O)CSc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1 3581838 CGGLTWJPXBNGMO-UHFFFAOYSA-N 420.965 6.382 0 40 HKAB COc1ccc(C2=NN(C(=O)c3ccccc3F)[C@H](c3ccccc3Cl)C2)cc1 4174208 UYYRUODZRHFYEG-QFIPXVFZSA-N 408.860 5.479 0 40 HKAB CC(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3c(C)cc(C)cc3s2)cc1 4273291 GWKBXFGKOQAHKY-UHFFFAOYSA-N 415.518 5.358 0 40 HKAB Cc1ccccc1C1=N/C(=C/c2cccc(OCc3ccccc3Cl)c2)C(=O)O1 4616828 JYKAKFGENFIGRN-HYARGMPZSA-N 403.865 5.572 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(CC)cc4)nc3c2)cc1 4723344 AZPBDXLUHSJTAT-UHFFFAOYSA-N 414.509 5.414 0 40 HKAB CCCCC(=O)N1c2ncnn2[C@H](c2ccc(Cl)cc2)C[C@@H]1c1ccc(OC)cc1 4816709 JLDSHIOXNNOEAI-RTWAWAEBSA-N 424.932 5.198 0 40 HKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3cc(C(F)(F)F)[nH]n3)CC[C@@H]12 4877271 VDGOOKRFIJJCSX-FNNUVKTMSA-N 410.524 5.916 0 40 HKAB in-vitro Cc1ccc2c(SCC(=O)NC3CCCCCC3)nc(-c3ccc(F)cc3)nc2c1 4895165 PUWDZCMFFHEZTE-UHFFFAOYSA-N 423.557 5.675 0 40 HKAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccc(Br)cc2)c[nH]1 4945304 RSESTJWZVADYPJ-CYBMUJFWSA-N 416.344 5.267 0 40 HKAB COc1ccccc1[C@]1(CCN[C@@H](C)c2ccc(Cl)cc2)CCO[C@H](C(C)C)C1 5024398 DZYXLXFXKIWHKF-PNTFMKQHSA-N 416.005 6.162 0 40 HKAB CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(NC)cc3)C[C@@]21C 5137928 IBLXOBHABOVXDY-WKWWZUSTSA-N 415.577 5.382 0 40 HKAB in-vitro CC[C@@](C)(CC(=O)NCC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)c1ccccc1 5390567 HFPBLUHWOVFWSL-CRRLPVGBSA-N 421.625 6.240 0 40 HKAB CCN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)C1=CCCC1 5689370 MGJXAMITEXYNFS-UHFFFAOYSA-N 422.529 5.082 0 40 HKAB CCN(C(=O)c1cc(-c2ccncc2)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 5701391 NPVYCJRJGONMIE-UHFFFAOYSA-N 411.549 5.728 0 40 HKAB CCOc1ccc2oc(C(=O)N[C@@H](CCSC)c3nc4ccccc4[nH]3)c(C)c2c1 6187311 AIMYRLXVAOYQLA-IBGZPJMESA-N 423.538 5.240 0 40 HKAB in-vitro C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2ccc3c(c2)CCCC3)o1 6374547 JMGLPFYCKQCLME-AWEZNQCLSA-N 412.486 5.203 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)N[C@@H]3CCCC[C@H]3C)n2-c2ccccc2)c1 6422336 ZQQWGYWVIRRUAT-WIYYLYMNSA-N 420.582 5.030 0 40 HKAB CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccncc1 6490134 HHHUDXCZQMVZNS-UHFFFAOYSA-N 400.507 5.002 0 40 HKAB COc1cc(OC)c(N[C@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1Cl 6542261 SFDHXWYONPYGNM-MRXNPFEDSA-N 424.928 5.063 0 40 HKAB Cc1ccc(NC(=O)Cc2nc(-c3cc(C)n(Cc4cccs4)c3C)cs2)cc1 6602064 XAJKZPLPSDVCSF-UHFFFAOYSA-N 421.591 5.828 0 40 HKAB CC(C)Oc1ccc2ccccc2c1/C=C(\Sc1nc2ccccc2[nH]1)C(=O)O 7342954 UVTMWPLYZBTZDR-BKUYFWCQSA-N 404.491 5.721 0 40 HKAB Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(Cl)cc2)c(C)c1 8476442 HURNCVYUOGMPHZ-UHFFFAOYSA-N 408.933 5.267 0 40 HKAB CC1=C(C)[C@H](Nc2cccc(C(F)(F)F)c2)N([C@@H](C)CCc2ccccc2)C1=O 9113664 VFGKZQCEBFNUTJ-YCRPNKLZSA-N 402.460 5.643 0 40 HKAB COc1cc(/C=C/C(=O)N2CCC[C@H]3CCCC[C@H]32)ccc1OCc1c(C)noc1C 9377932 DZXMYTQQCUBXMW-UEUVIKQWSA-N 424.541 5.073 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)c1nn2c(-c3ccc4ccccc4n3)nnc2s1 13688947 OOSLSSNEINIKED-UHFFFAOYSA-N 421.913 5.369 0 40 HKAB COc1cc(C(=O)Nc2c(C)cccc2C(C)C)ccc1OCc1c(C)noc1C 14739299 BPELNVYLUIOVKC-UHFFFAOYSA-N 408.498 5.563 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1c2ccccc2Sc2ccccc21 17092439 WSROIXFTFXLPPG-UHFFFAOYSA-N 420.843 7.194 0 40 HKAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 17092947 KZVKMIBEIAEZIF-CYBMUJFWSA-N 422.381 5.499 0 40 HKAB CC1=C(C(=O)OC(C)(C)C)C(CCc2ccccc2)C(C(=O)OC(C)(C)C)=C(C)N1 19594064 LTRMIMLEPPKFJW-UHFFFAOYSA-N 413.558 5.070 0 40 HKAB Cc1ccccc1[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 19931784 SFDQFCCORMHADG-FQEVSTJZSA-N 406.334 5.370 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccccc1Cl 20106166 SKDNUGMEDBPYHP-GOSISDBHSA-N 414.423 5.914 0 40 HKAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl 20110285 IKXJHSHZYGRZKA-LJQANCHMSA-N 412.382 5.509 0 40 HKAB Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2NCc2ccccc2)cc1 20382354 CKWAIQKGBUUKSP-UHFFFAOYSA-N 402.519 5.297 0 40 HKAB CCOC(=O)C1=C(C)Nc2c(-c3ccccc3)c(C)nn2[C@@H]1c1ccc(Cl)cc1 20674231 CFALJBSJGMLJDD-OAQYLSRUSA-N 407.901 5.364 0 40 HKAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 22522797 FEGPYMFAAGOZQF-AWEZNQCLSA-N 414.288 5.630 0 40 HKAB O=C(CSCc1ccc(Br)cc1)Nc1c(Cl)cccc1Cl 22842197 OBWYBHVMLGZJRB-UHFFFAOYSA-N 405.144 5.628 0 40 HKAB Cc1cc(NC(=O)[C@@H](N[C@H]2CCSc3ccc(Cl)cc32)c2ccccc2)no1 23990083 HQZPESHGXDMVDB-PXNSSMCTSA-N 413.930 5.143 0 40 HKAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCC[C@@H]1c1cccs1 24884811 NVECDNQAQRCQEG-OAQYLSRUSA-N 417.534 5.041 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)c1 32126529 JNRRYQSIFAIZRO-UHFFFAOYSA-N 424.456 5.918 0 40 HKAB O=C(COc1ccccc1Cl)Nc1ccc(-c2nc(-c3ccccc3)no2)cc1 32622519 IFDKLBDMWMKKJG-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc2ccccc2n1 32876151 FVADNUATXSTYCT-GOSISDBHSA-N 409.489 5.320 0 40 HKAB O=c1c2c(ncn1Cc1ccccc1)c1ccccc1n2Cc1ccc(F)cc1Cl 35400192 GGDBROWJQIDQNE-UHFFFAOYSA-N 417.871 5.240 0 40 HKAB CC1CCN(Cc2csc(NC(=O)c3sc4cc(F)ccc4c3Cl)n2)CC1 36652262 LPADLWRZRUVGIU-UHFFFAOYSA-N 423.966 5.635 0 40 HKAB O=C(CCSc1ccccc1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 38677785 PLEGEOJMKAFEIU-UHFFFAOYSA-N 416.546 5.401 0 40 HKAB O=C(Nc1cccc2ccccc12)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38834075 HGPAWYMOMNEGHP-UHFFFAOYSA-N 413.348 5.997 0 40 HKAB Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1Cl 38849670 XCTUMYBZOCTSDB-CQSZACIVSA-N 411.760 5.806 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(OC(C)C)c(OC)c1 44903574 CFHPEAOGVDBBGK-NRFANRHFSA-N 407.510 5.109 0 40 HKAB CC1CCN(Cc2ccc(C(=O)NCCCc3cccc(OC(C)C)c3)cc2)CC1 44916240 OYRWWBMIRLWEDG-UHFFFAOYSA-N 408.586 5.068 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Cl)N1CCC(CO)CC1 48342720 PTPZCDHMAVQSDZ-UHFFFAOYSA-N 402.966 5.044 0 40 HKAB CN(Cc1nc(-c2cc(Br)cs2)no1)[C@H]1CCCc2ccccc21 58357446 IWXJEJFDOGGQRK-HNNXBMFYSA-N 404.333 5.070 0 40 HKAB CCCn1cc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c(=O)c2cc(C)ccc21 64963697 CODKKHWDEJUDMZ-UHFFFAOYSA-N 413.399 5.456 0 40 HKAB CC(C)(C)c1ccc(C(=O)NC2(c3nc(-c4ccccc4)no3)CCCCC2)cc1 65257853 HHEBLFLGSHZDCY-UHFFFAOYSA-N 403.526 5.624 0 40 HKAB CCOc1cc(CNc2cccc(C(=O)O)c2C)ccc1OCc1ccccc1C 95472058 GGLWBEJDJUBIII-UHFFFAOYSA-N 405.494 5.591 0 40 HKAB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)c(F)c2)c1 102765232 VACGZMOFKIXJDH-UPVQGACJSA-N 424.878 6.477 0 40 HKAB Cc1ccc(C)c(N2C(=O)[C@@H]3[C@@H](c4ccccc4)C=C[C@H](c4ccccc4)[C@H]3C2=O)c1 169683718 NEZLLAPYDIROPG-OQUNMALSSA-N 407.513 5.546 0 40 HKAB CC[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(C)c(C)c1 219774886 UVTQJMXHSRQQIY-QHCPKHFHSA-N 407.941 6.417 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(Cl)c(C)c3)N21 222710137 MFTIKJBZPYVITI-NPFVIJTESA-N 422.985 5.814 0 40 HKAB C[C@@H](NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc2c(c1)CCCC2 222903860 ZDSFTACEEANTEI-LJQANCHMSA-N 401.575 6.349 0 40 HKAB CCOc1ccccc1NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224877936 BFJYNSVECIPMLV-UHFFFAOYSA-N 415.287 5.074 0 40 HKAB Cc1ccc(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)c(C)c1 225058913 ATNTZDNUOWJYBL-UHFFFAOYSA-N 424.378 6.006 0 40 HKAB CC[C@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(OC)c(C)c1 225309250 MRFNQIPVKBWPEQ-DEOSSOPVSA-N 419.590 6.485 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccc(Cl)cc1Cl 225378423 NBZCICAFHNCHNO-GOSISDBHSA-N 408.325 5.353 0 40 HKAB Fc1ccccc1CSCCCNC(=S)Nc1ccc(Br)cc1 225611665 OTLXFXMIXUXJJB-UHFFFAOYSA-N 413.381 5.198 0 40 HKAB Nc1c(C(=O)Nc2ccccc2F)sc2nc(C(F)(F)F)c3c(c12)CCCC3 257173024 AJKNJPZBCNRKPD-UHFFFAOYSA-N 409.408 5.168 0 40 HKAB COc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3ncc(Cc4ccccc4)o3)cc2c1 257215317 CPONUIVFRKPLMJ-QHCPKHFHSA-N 415.493 5.123 0 40 HKAB Cc1ccccc1OCC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257247513 IZIBAMHIRPRLOC-IBGZPJMESA-N 424.928 5.012 0 40 HKAB COc1ccccc1-c1cccc(C[C@]2(C(=O)NCCC3=CCCCC3)CCCO2)c1 257339322 ZBGFSAQSBBXVDP-MHZLTWQESA-N 419.565 5.461 0 40 HKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 408629243 RQUJJFCJOJVGQR-HXUWFJFHSA-N 400.522 5.897 0 40 HKAB Cc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1C 408766713 FKVGXHVHWVDZFG-RUZDIDTESA-N 416.546 5.330 0 40 HKAB CC(C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O 409018927 YYTHSLZCMAGJKU-HYARGMPZSA-N 403.503 5.864 0 40 HKAB Cc1ccc(NCc2ccc(C(=O)OC(c3ccccc3)c3ccccc3)cc2)cc1 409179872 OVQVMRFBAKQVKT-UHFFFAOYSA-N 407.513 6.554 0 40 HKAB Cc1ccc(N(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1C 409380315 CCMCEJDLMRMKFN-UHFFFAOYSA-N 403.906 5.491 0 40 HKAB O=C1NCCc2ccccc2[C@@H](c2ccccc2)N1C1CCN(C2CCCCC2)CC1 1615530110 QNSPBWHFLPHOMI-AREMUKBSSA-N 417.597 5.141 0 40 HKAB COc1cccc(CN2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)c1 2086896837 MLEXZQLOBWFQLY-UHFFFAOYSA-N 410.521 5.080 0 40 HKAB CC(=O)N1c2ccccc2[C@H](N(C(=O)Cc2ccc(F)cc2)c2ccccc2)C[C@H]1C 822380 JJZVHAROZSZJEF-IQGLISFBSA-N 416.496 5.288 0 40 HKAB COc1cc([C@H](Nc2cc(C)ccn2)c2c(C)[nH]c3ccccc23)cc(OC)c1OC 956938 QHAJALHBVLWHFZ-DEOSSOPVSA-N 417.509 5.407 0 40 HKAB Cc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)NCc3ccco3)c2c1 993122 UOZLHRNPPGZTQJ-UHFFFAOYSA-N 404.897 6.003 0 40 HKAB CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 1085677 GCMHBHBSRRNKRX-UHFFFAOYSA-N 412.493 5.467 0 40 HKAB CC(=O)c1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Nc3ccc(C)cc3)n2)cc1 1446299 WOFMWYCUCAVJAV-UHFFFAOYSA-N 424.508 5.922 0 40 HKAB CCOC(=O)[C@H](Sc1ccc(C)cc1)[C@@H](Sc1ccc(C)cc1)C(=O)OCC 1641097 QVALTQGQDJPNDF-WOJBJXKFSA-N 418.580 5.051 0 40 HKAB O=C(Nc1cccc2cccnc12)c1cccc(C(=O)Nc2cccc3cccnc23)c1 2197503 YXACMHYGLNGBMO-UHFFFAOYSA-N 418.456 5.288 0 40 HKAB O=C(/C=C/c1ccccc1)Nc1ccc2nc(SCc3ccccc3)sc2c1 2264139 QYRQQNRWQSOGTO-SDNWHVSQSA-N 402.544 6.241 0 40 HKAB Clc1ccc2c(c1)[C@H](c1ccccc1)O[C@@H](c1ccc(Br)cc1)N2 2293530 AZGYLCACSFIPSF-PMACEKPBSA-N 400.703 6.333 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(c1nc(C)cs1)C3=O 2426560 BULOCHFCEFMYKP-GOSISDBHSA-N 422.893 5.270 0 40 HKAB O=C(Nc1ncc(C(F)(F)F)cc1Cl)c1sc2cc(F)ccc2c1Cl 3210316 ZBPYLMZSMABTIS-UHFFFAOYSA-N 409.191 6.013 0 40 HKAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCC1 3319828 QOOBALYSFKEPFP-HOTGVXAUSA-N 416.566 5.081 0 40 HKAB CC(=O)[C@@H](C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C(c1ccccc1)c1ccccc1 3846276 PBSTWIYTCPQRBP-HEGQMBHGSA-N 406.566 6.028 0 40 HKAB C[C@@H]1CCc2sc(NC(=O)c3ccccc3Oc3ccccc3)c(C(N)=O)c2C1 4177448 SFUBMOPVBIYUSI-CQSZACIVSA-N 406.507 5.016 0 40 HKAB COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1OC 4837537 CSVIORRTOUEWIP-GBXCKJPGSA-N 420.896 5.600 0 40 HKAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3cc(Cl)ccc3c3c2CCCC3)C1 4859080 CUKUAOUAQXWVAO-HUUCEWRRSA-N 402.991 5.364 0 40 HKAB CCOc1cccc2sc(N(Cc3cccnc3)C(=O)CCc3ccccc3)nc12 5142162 WXJPXGLDGOZVDY-UHFFFAOYSA-N 417.534 5.256 0 40 HKAB Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(-c2cccc(Cl)c2)n1 5680449 AOBAEECSDOREJH-UHFFFAOYSA-N 410.688 5.158 0 40 HKAB Cc1cc(C2=NN=C(N[C@@H]3CCCC[C@H]3C)SC2)c(C)n1CCc1ccccc1 6280708 KTXIEAFDKAAPGH-VGOFRKELSA-N 408.615 5.323 0 40 HKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 6678249 ZAUSSRDSJXCJHP-MRXNPFEDSA-N 402.519 6.393 0 40 HKAB COc1cc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2C)ccc1F 7360693 RGPIDOPNXFHQRW-UHFFFAOYSA-N 417.527 5.236 0 40 HKAB COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCCc3ccccc32)cc1 7718727 BNAVACGFHIYVMS-UHFFFAOYSA-N 423.516 5.200 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 8168686 VJQRLUTZEPGLKP-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 8477985 HZTYTKPBRRAYCD-QGZVFWFLSA-N 407.897 5.594 0 40 HKAB CCCCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(OC)cc2)n(C)c2ccccc12 9355615 XPMRZTASQGSYFG-MHZLTWQESA-N 424.544 6.199 0 40 HKAB Cc1cccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccc(C)cc2C)c1 9411761 YYYFZFUUKIJVEX-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB CCOc1ccc([C@@H]2C[C@H](c3ccccc3F)n3c(nc4ccccc43)N2)cc1Cl 9496680 ZTSZAMUADDQYKD-RBBKRZOGSA-N 421.903 6.374 0 40 HKAB COc1ccc(CCC(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1 9632269 HLDLDOANGSHMTN-UHFFFAOYSA-N 419.959 5.064 0 40 HKAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1nc2ccccc2s1 9884277 BWZUHONTPXQATO-QGZVFWFLSA-N 401.535 5.422 0 40 HKAB C[C@H](C(=O)N1CCC(c2nc3ccccn3c2NC(C)(C)C)CC1)c1ccccc1 12127762 ZEYWQNOSILPPQM-SFHVURJKSA-N 404.558 5.054 0 40 HKAB O=C(c1ccco1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 12350060 SBJLBYZBOIPTTD-XDOMSBSOSA-N 418.443 5.995 0 40 HKAB CCCCc1noc([C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)n1 12825355 WAYNBXMQBVASFD-ZDUSSCGKSA-N 408.531 5.340 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccc(Cl)cc3)sc3ccccc3c2=O)cc1 13554690 OSFAGTKJANRTHB-UHFFFAOYSA-N 421.905 5.843 0 40 HKAB CCOc1cc(CNCc2cccs2)ccc1OCc1ccc(Cl)cc1Cl 16689163 ZOZGMYHNOUPTJW-UHFFFAOYSA-N 422.377 6.322 0 40 HKAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 16849621 OMIBXVZPLVZPTK-KRWDZBQOSA-N 406.913 5.343 0 40 HKAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccccc4)cc23)c(Cl)c1 17026188 IWABYCCLZDAZKF-UHFFFAOYSA-N 408.914 5.089 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc4ccccc4c3)c2C(N)=O)C1 17087471 WVNDJJDQAPUTNA-QGZVFWFLSA-N 406.551 5.404 0 40 HKAB CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1 17988231 XDWCGPUWZGYRIC-VXKWHMMOSA-N 417.505 5.049 0 40 HKAB CCc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2ccc(OC)cc2OC)CC3=O)cc1 20101969 BEBDBEZOGLRDGX-KRWDZBQOSA-N 417.509 5.021 0 40 HKAB Cc1ccc(C)c(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)c1 21524706 JOSFJBAIAFPCCL-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB O=C(Nc1cccc(Br)c1)c1cc(-c2cccnc2)nc2ccccc12 27198068 FUIPYXJSDPOEKI-UHFFFAOYSA-N 404.267 5.312 0 40 HKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 30867681 GXVXBQPIXBMOHK-XMMPIXPASA-N 421.512 5.495 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c(C)c1 46078953 SGBDIGTVFAUXPP-UHFFFAOYSA-N 402.469 5.288 0 40 HKAB Cc1ccc(CSc2nccn3nc(-c4ccc(Br)cc4)cc23)c(C)c1 57510892 OJRNUUONJMILRY-UHFFFAOYSA-N 424.367 6.068 0 40 HKAB Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1ccc(Oc2ncccn2)cc1 64933222 GYOYYGJXOZGXOY-UHFFFAOYSA-N 422.897 5.607 0 40 HKAB Cc1ccc(-c2noc(-c3cn(-c4ccc(C)c(C)c4)c(=O)c4ccccc34)n2)cc1C 67245305 ROTMUHWIHVYUBV-UHFFFAOYSA-N 421.500 5.941 0 40 HKAB Cc1ccccc1NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 72306814 XXSJSZKUENVWIN-UHFFFAOYSA-N 413.321 5.471 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)c1csc(-c2cnccn2)n1 89821210 FKGPBNFMVFMUPA-UHFFFAOYSA-N 408.870 5.298 0 40 HKAB Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)CC[C@@H](c4ccccc4)[C@@H]3C2=O)c1C 100064276 UUOHHXXXBMIDST-AYEHBTSNSA-N 409.529 5.770 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Oc2cccc3ccccc23)cc1 102077976 SPTVJIIIABZJFG-VGSPHUTOSA-N 407.469 5.190 0 40 HKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc2c(c1)OCO2 102789008 KKRVNEPPAHJEPD-DEOSSOPVSA-N 418.493 5.618 0 40 HKAB CCCC[Sn](CCCC)(CCCC)c1ccc2cc[nH]c2c1 196133430 FHKSHVIAGDAISI-UHFFFAOYSA-N 406.202 6.224 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1COCC(C)C 224449659 PRPHQWQBZOQNNK-UHFFFAOYSA-N 410.283 5.022 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1ccc(C)cc1 224468502 NCCBTBABQSILGT-UHFFFAOYSA-N 405.494 5.624 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccc(Cl)cc1 224498890 FJYDBTGOZFPPLQ-UHFFFAOYSA-N 416.304 6.223 0 40 HKAB CCn1c(=O)sc2cc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)ccc21 225077689 ZETOEIOFKMNUKU-HMMYKYKNSA-N 400.503 5.262 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCC2)ccc1O[C@@H](C)CC 225678552 FNUPNJCRUVWRRO-IBGZPJMESA-N 423.553 5.800 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c2ccccc12 225766214 GYODUPYZANVASY-UHFFFAOYSA-N 407.941 6.733 0 40 HKAB CC(C)c1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1 225843471 IWSZOKPLABVPBH-UHFFFAOYSA-N 406.517 6.585 0 40 HKAB Cc1cc(C)nc(Nc2ccccc2C(=O)N(Cc2ccccc2)Cc2ccccc2)n1 225918129 RMSQUFDAKXMBLE-UHFFFAOYSA-N 422.532 5.680 0 40 HKAB Cc1cc(N)ccc1NC(=O)/C=C/c1ccc(-c2ccc(F)cc2Br)o1 227146079 BYHSDKZIMCPLOH-WEVVVXLNSA-N 415.262 5.391 0 40 HKAB O=C(CSc1cccc2ccccc12)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21 408543856 RYTMQLGHKWODCX-UGKGYDQZSA-N 401.556 5.934 0 40 HKAB CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Cl)c1OCC 408556894 KSWXAQPDIKVNMO-IBGZPJMESA-N 412.338 5.569 0 40 HKAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1cc(Cl)ccc1OC 408561792 LJJISZDAZWSYAD-LNVKXUELSA-N 400.931 5.256 0 40 HKAB Cc1cc(Br)ccc1NCc1ccccc1OCc1ccccc1Cl 408606318 IHOLNOXONWHUTM-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(C)c3)n2)c1 408699447 UHFGDCCPBQYSGJ-UHFFFAOYSA-N 414.484 5.559 0 40 HKAB CCOc1ccc(C[C@@]2(C)CCc3ccc(-c4cccc(C(=O)O)c4)cc3O2)cc1 585265432 DHKICSKHMGJNRP-AREMUKBSSA-N 402.490 5.777 0 40 HKAB CC(C)C[C@H]1COc2ccccc2CNc2ccccc2CN1C(=O)C1CCCCC1 643582006 NKFQLIRDEGAKMI-DEOSSOPVSA-N 420.597 6.015 0 40 HKAB O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1cccc(Br)c1 934525 RIFQKQSCWVRHMP-UHFFFAOYSA-N 402.288 5.191 0 40 HKAB Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccco3)cc(C(F)(F)F)c12 1471626 BWMRMYWAHWWYFU-UHFFFAOYSA-N 421.375 5.549 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)SC3 1833910 FTSVDLSALSJWJZ-UHFFFAOYSA-N 416.637 5.826 0 40 HKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)c3ccc(Cl)cc3)c2c1 2078748 IIUGRKSOZXFHLG-UHFFFAOYSA-N 415.876 5.903 0 40 HKAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1cccc(OC)c1)CCC3 2126354 HRRVRXAJVQBOMM-UHFFFAOYSA-N 406.522 5.992 0 40 HKAB biogenic CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1c(C)cccc1C(C)C)CO3 2158742 KAYGOIVNUGRKKZ-UHFFFAOYSA-N 405.538 6.232 0 40 HKAB biogenic O=C(Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12)c1ccc(Cl)cc1 2690510 FUQRUSGPQTYYAY-UHFFFAOYSA-N 410.256 6.223 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CCCC2 3197888 IIPWDCOCCWIXNL-UHFFFAOYSA-N 421.518 5.848 0 40 HKAB Cc1ccc(-c2c(CC(=O)O)c(-c3cccs3)nc3sc4c(c23)CCCC4)cc1 3343064 CBJXOGOOCSTREG-UHFFFAOYSA-N 419.571 6.506 0 40 HKAB COc1ccccc1-c1nnc(SC/C=C/c2ccccc2)n1-c1ccc(C)cc1 3364312 IAVPYTMHIWPLIS-DHZHZOJOSA-N 413.546 6.057 0 40 HKAB COc1cc([C@H]2Nc3ccc4ccccc4c3-c3c2c(=O)oc2ccccc32)ccc1O 3770977 XZUDNDGODLAMDJ-AREMUKBSSA-N 421.452 5.842 0 40 HKAB CN(C)C1(c2nnnn2C(c2ccccc2)c2ccccc2)CCC(C(C)(C)C)CC1 4066810 FWKQCQZPYJBDHW-UHFFFAOYSA-N 417.601 5.304 0 40 HKAB O=C(Cc1ccccc1)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1 4078220 LWVFEKQPFLTFEJ-UHFFFAOYSA-N 409.458 5.030 0 40 HKAB CC1(C)c2ccccc2N2CC(=O)N(Cc3ccccc3)[C@@]21/C=C/c1ccc(F)cc1 4117469 MYAQFXSTQXHLBF-NUKGXUILSA-N 412.508 5.375 0 40 HKAB Cc1csc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)n1 4231752 RILJCAKCTGKHFP-UHFFFAOYSA-N 418.613 5.189 0 40 HKAB CSC1=N[C@@]2(C[C@@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)CC(C)(C)N1 4553241 DSDFSXFVDPCKMS-YCRPNKLZSA-N 402.947 5.147 0 40 HKAB Cc1ccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccccc3)[nH]2)cc1 4927738 NFYOAPIYAPLXOJ-UHFFFAOYSA-N 406.536 5.239 0 40 HKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)cc2)cc1C 5107034 XGIKWCKQXCBUMW-UHFFFAOYSA-N 402.425 5.693 0 40 HKAB Cc1cc(Cl)ccc1Oc1ncccc1C(=O)NCCc1c[nH]c2ccccc12 5212297 ULUMSIAYGMNTTG-UHFFFAOYSA-N 405.885 5.290 0 40 HKAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1cccc(Cl)c1 5360226 PLVQJKJTHDYXAN-GFCCVEGCSA-N 418.975 5.038 0 40 HKAB CCOc1cc(C(=O)Nc2nc3c(C)c(C)ccc3s2)cc(OCC)c1OCC 6354905 XQBXFTGWNLWMNU-UHFFFAOYSA-N 414.527 5.362 0 40 HKAB COc1ccc(CN(Cc2ccco2)C(=O)Nc2ccc(Cl)cc2)cc1OC 6470412 PTMJYQLVONOYJE-UHFFFAOYSA-N 400.862 5.185 0 40 HKAB CCc1ccccc1NC(=O)c1cc(Cl)c(OCc2ccc(C)cc2)c(OC)c1 6710699 BKZZOPPSYPCHDO-UHFFFAOYSA-N 409.913 6.051 0 40 HKAB Clc1ccccc1-c1nnc([C@H](Nc2cccc3c2CCCC3)c2ccccc2)o1 6794280 UQVZYXLUTXLTPJ-HSZRJFAPSA-N 415.924 6.470 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)COc4cccc5ccccc45)cc3)oc2c1 6860179 HGHQVTXGTLPCOZ-UHFFFAOYSA-N 408.457 5.974 0 40 HKAB COc1cc(CNC2CCCCCCC2)ccc1OCc1ccc(Cl)cc1Cl 7522449 KKJBICXVBMEKMB-UHFFFAOYSA-N 422.396 6.784 0 40 HKAB Cc1cccc(C)c1NC(=O)CNC(=O)c1sc2cc(Cl)ccc2c1Cl 7990465 UGHBSJZXFQBGKU-UHFFFAOYSA-N 407.322 5.193 0 40 HKAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(Br)c(C)c3)c2C)cc1 8076760 DGMUTXLOBMVHLT-UHFFFAOYSA-N 412.331 5.180 0 40 HKAB Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8093732 PTVIMKKXSXLQHM-KRWDZBQOSA-N 403.507 5.280 0 40 HKAB C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1)c1ccc(F)cc1 8723989 XQPJPMYMXSPCSQ-SUMWQHHRSA-N 418.921 5.221 0 40 HKAB Cc1cc(-n2c(C)cc(/C=C/C(=O)N(C)[C@H](C)c3nc4ccccc4s3)c2C)no1 8727072 REQXROHIBYSXAY-SXSDINLZSA-N 420.538 5.233 0 40 HKAB C[C@H]1CCCCN1C(=O)c1ccc(NCCC(=O)c2ccc(Cl)c(Cl)c2)cc1 8783010 SJQUGOULPDVNJS-HNNXBMFYSA-N 419.352 5.693 0 40 HKAB Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)no1 9487416 GAYVKKAVSUZIHS-HXUWFJFHSA-N 420.852 5.109 0 40 HKAB CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(c1cc(C)on1)C3=O 11614384 UMDGPMUDKFXSRJ-HXUWFJFHSA-N 420.852 5.055 0 40 HKAB Cc1cc2oc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)c(C)c2cc1Cl 11914877 OPFBNQUZWHDIEC-UHFFFAOYSA-N 424.953 6.333 0 40 HKAB Cc1ccc(-n2cnnc2S[C@@H](C)c2nc3ccccc3n2C(F)F)cc1Cl 12534973 VHVPWMWJULQNKL-LBPRGKRZSA-N 419.888 5.827 0 40 HKAB O=C1[C@@H]2CCCC[C@@H]2[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1Cc1ccccc1 12629835 BAQBVTVZDSFUCF-JWZKTCGFSA-N 420.556 6.725 0 40 HKAB CC(C)c1ccc(-c2nc(C(=O)Nc3ccc(C(=O)NC4CC4)cc3)cs2)cc1 12825010 PHKKLVAMBJVZNK-UHFFFAOYSA-N 405.523 5.078 0 40 HKAB CN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 12911919 JBNRTNREJLQXIJ-IBGZPJMESA-N 411.910 5.128 0 40 HKAB O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(\SCc1ccccc1)N1CCCCC1 13563563 JMPXJKIBJJUVFW-PEZBUJJGSA-N 407.750 5.737 0 40 HKAB CCCCCCn1c([C@H](CCSC)NC(=O)c2ccccc2)nc2ccccc21 13597864 QINXQNQHHZMYMV-NRFANRHFSA-N 409.599 5.841 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl 13881116 OUTXWHNKLCHHLR-GEYIUBJWSA-N 415.942 6.062 0 40 HKAB O=C1c2ccccc2[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1C[C@@H]1CCCO1 13943792 APKZQOMPEBDJIF-AFMDSPMNSA-N 408.501 5.559 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)N(Cc3cccc(Cl)c3)Cc3ccco3)oc2c1 15831077 YSDZGWNTTMRHHA-UHFFFAOYSA-N 407.897 6.447 0 40 HKAB Brc1cccc(CSc2nccn3nc(-c4cccs4)cc23)c1 16843193 BTCBZRKDBIUCMZ-UHFFFAOYSA-N 402.342 5.513 0 40 HKAB O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1cccnc1Cl 17091647 TVQIWCOTSIMAAA-UHFFFAOYSA-N 418.667 6.102 0 40 HKAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 20105581 WUXJYTGVHQRIHV-DUXBZUBYSA-N 409.957 6.214 0 40 HKAB O=C(O)c1ccc(Cl)c(NC(=O)c2cccc3c(Br)cccc23)c1 20139026 IXYWWXPOPZLVGE-UHFFFAOYSA-N 404.647 5.206 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(C(=O)OC2CCCCC2)cc1 20412166 RECOCLDYJRGUDC-FBMGVBCBSA-N 415.489 6.088 0 40 HKAB Fc1ccc(-n2nc(-c3ccc(Cl)cc3)c3cnc4ccc(F)cc4c32)c(F)c1 21017464 TZFNERGZXFLUFG-UHFFFAOYSA-N 409.798 6.311 0 40 HKAB Cc1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCO5)cc1Cl 21017639 AMRJSHUTOLTLBH-UHFFFAOYSA-N 413.864 5.931 0 40 HKAB COc1ccc(/C=C(/C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)c2ccccc2)cc1 22522165 IXULOWCVKRQFBK-RPNTZMPASA-N 417.505 5.130 0 40 HKAB COc1ccc(OC)c(CN(C(=O)c2sc3nc(C)cc(C)c3c2C)C2CC2)c1 25808702 FPGXOVOWGRPHHR-UHFFFAOYSA-N 410.539 5.044 0 40 HKAB O=C(CSc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1Cl 32204167 CMBYATMHOLVYCA-UHFFFAOYSA-N 420.814 5.789 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1N1CCCC1 33615111 INBVGNPFHIXVFP-LBPRGKRZSA-N 413.732 5.653 0 40 HKAB C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(C(C)(C)C)cc1 39759351 JXMJUKUUQFIQQB-SFHVURJKSA-N 413.005 5.727 0 40 HKAB O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1cccc(Br)c1 40301286 MCZSVIZLNQHNID-UHFFFAOYSA-N 420.310 5.028 0 40 HKAB O=C(Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)NC1CCCCC1 41127153 DIYMSLZGWWDBKX-UHFFFAOYSA-N 403.309 5.793 0 40 HKAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCSCc1c(F)cccc1Cl 44885764 NRTWFVPCVKAOAN-OAHLLOKOSA-N 409.954 5.419 0 40 HKAB Cc1ccc2c(Nc3cccc(C(C)C)c3)c(C(=O)N3CCC(C)CC3)cnc2n1 49005491 SXEWAXPEFSIFDU-UHFFFAOYSA-N 402.542 5.677 0 40 HKAB CC(C)(C)OC(=O)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3ccccn3)n2)C1 57774705 UEHQDCVIJCLGBP-QGZVFWFLSA-N 417.513 5.007 0 40 HKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@H]1c1ccsc1 58521897 FTKQCLCUIBEDCG-AWEZNQCLSA-N 408.367 6.155 0 40 HKAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 59186102 VDBAYZBILZXPHP-JAIQZWGSSA-N 413.370 5.916 0 40 HKAB Brc1cc(CNCc2csc3ccccc23)cc2c1OCCCO2 65932975 QCBABLLYPIQNES-UHFFFAOYSA-N 404.329 5.115 0 40 HKAB O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1ccccc1C(F)(F)F 67296338 GMBHAXXJSFKTCS-MEFGMAGPSA-N 409.367 5.331 0 40 HKAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1Cc1ccccc1 72215064 OBXQWFBPOWSABJ-QHCPKHFHSA-N 423.601 6.350 0 40 HKAB CC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccc(C)c1 95116691 UMQAQJRCSDMRGB-QHCPKHFHSA-N 410.477 5.138 0 40 HKAB Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)CCc3ccccc3)CC2)c1 96183721 HJYPTHMUOQNMLZ-NDEPHWFRSA-N 412.577 5.170 0 40 HKAB Cc1c(-c2nnc3sc(CSc4ccc(Cl)cc4)nn23)oc2ccccc12 96194452 TZMOPYFDHYVSBY-UHFFFAOYSA-N 412.927 5.853 0 40 HKAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CCCN2Cc2ccc(Cl)c(Cl)c2)n1 96315930 XARFCAIPGCJETF-LJQANCHMSA-N 417.340 5.701 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)Nc5ccc(Cl)c(Cl)c5)(C4)C2)C3)cc1 100846431 GPNIHGRGTASSFK-GAAJCNLQSA-N 414.376 6.779 0 40 HKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(CNC(=O)CCC5CCCCC5)(C4)C2)C3)cc1C 102224491 DPBADQNKSLHPHV-OJKWPBSESA-N 407.642 6.618 0 40 HKAB CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccc(F)c1 104006273 YPTGHFAGSNAJAG-QHCPKHFHSA-N 406.501 6.274 0 40 HKAB Fc1ccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 107027565 PGKBZYIOIMTRRR-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2C)c1 108012500 IHBAGDSDTATUKM-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccc(Cl)cc1 224157666 FFLZTVINFAUQNW-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)c1 224231020 HXZLXVDXINPONJ-GOTSBHOMSA-N 402.567 5.484 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NC3CCCCCC3)o2)cc1 224915831 JONGESSYHXMGAP-UHFFFAOYSA-N 404.510 5.860 0 40 HKAB COC(=O)c1cc(NC(=S)NC2(CCc3ccccc3)CCCC2)ccc1Cl 225861622 YWUYSNMXGVTNPC-UHFFFAOYSA-N 416.974 5.359 0 40 HKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225906890 IGDGCGVLTWZLGI-UHFFFAOYSA-N 414.590 6.218 0 40 HKAB COc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccccc2Br)o1 227147569 JKPSZBZNKZVWQD-UHFFFAOYSA-N 421.678 5.206 0 40 HKAB CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@H]12)[C@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 253598171 ZRPNFEVAKYBZFA-CVXWFALHSA-N 412.702 8.089 0 40 HKAB CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccc(F)cc1 408611608 UJAQWHBNIZJOGH-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccccc2C)cc1 408699797 WHTUHMLWDFZEGR-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 408706280 ZDGNGFOPTAWJSG-OAQYLSRUSA-N 411.885 5.937 0 40 HKAB Cc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2ccc(Cl)cc2)cc1C 409100267 VUZQCBNHHRGMBA-UHFFFAOYSA-N 423.944 6.636 0 40 HKAB CCCN1C(=O)/C(=C\c2cc(OC)c(OCC)cc2Br)c2ccccc21 409117761 PAGMPOFYKMBJLM-WJDWOHSUSA-N 416.315 5.154 0 40 HKAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(Sc4ccccc4)cc3)C2=O)cc1 409247604 IOZCHOPWBUUGAH-PXLXIMEGSA-N 400.503 5.239 0 40 HKAB O=S(=O)(Cc1ccccc1)Cc1cccc(Nc2ncncc2-c2ccccc2)c1 538149387 XTVSSHYZCGKNIC-UHFFFAOYSA-N 415.518 5.002 0 40 HKAB Nc1c(C(=O)c2ccc(Cl)cc2)oc2nc(-c3ccco3)cc(-c3cccs3)c12 1035475 OLRXLSRQTQTKHD-UHFFFAOYSA-N 420.877 6.283 0 40 HKAB Cc1cc(C)n2c(Br)c(CSc3nc4ccccc4s3)nc2n1 1239449 LNBWCHIOWCRYAN-UHFFFAOYSA-N 405.346 5.011 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 1266378 VHIIJAQPZCGNBM-UHFFFAOYSA-N 412.839 5.285 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccs2)N2CCC(C)CC2)c1C 1298429 OFCOARSTFHNNCU-JOCHJYFZSA-N 424.635 6.500 0 40 HKAB COc1ccc(-c2cc3nc4c(c(NCCc5ccc(F)cc5)n3n2)CCCC4)cc1 1341554 AIKKFERRZSSPCC-UHFFFAOYSA-N 416.500 5.077 0 40 HKAB Cc1cc(C)c(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccco2)c(C)c1 1379920 VCBHVCLVLGQMRZ-QHCPKHFHSA-N 420.509 5.245 0 40 HKAB COc1c(C)c(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)c(OC)c(OC)c1OC 1650819 XUKZWFXRDDPNAW-XHGFWWIISA-N 416.602 6.991 0 40 HKAB CCCCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC[C@@H]4C 1823035 IOIMZZLTAABFOM-AWEZNQCLSA-N 424.595 5.427 0 40 HKAB Cc1ccc(CNC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1 2150500 QPLDQQXEQYNQDG-UHFFFAOYSA-N 403.478 5.022 0 40 HKAB biogenic Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1-c1ccc(Cl)cc1 2347581 KXKPPDDYEBICQP-UHFFFAOYSA-N 413.868 5.062 0 40 HKAB Cc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)c2oc3ccccc3c2n1 2429076 SDPRKFQQHRBPDL-UHFFFAOYSA-N 418.305 5.722 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4OC)cc3)nc2c1 3770762 FXAHQYRCLBYBIB-MRXNPFEDSA-N 400.478 6.269 0 40 HKAB COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2CCC(C)C)CC1=O 4033593 PRDLTUORZPMLGJ-MRXNPFEDSA-N 411.933 5.265 0 40 HKAB Brc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1cccs1)O2 4309621 OITZGPRIRGBLFZ-FXAWDEMLSA-N 411.324 5.753 0 40 HKAB Brc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1 4309670 CJWZLBHPGIHKDP-XLIONFOSSA-N 411.324 5.753 0 40 HKAB O=C(NCc1ccco1)c1ccccc1NC(=O)c1sc2ccccc2c1Cl 4488445 MYOFOBGMFRHNBG-UHFFFAOYSA-N 410.882 5.330 0 40 HKAB C[C@H](c1nnc(SCc2cccc3ccccc23)n1-c1ccc(F)cc1)N(C)C 4490746 YSVPGLPQKVMZSD-MRXNPFEDSA-N 406.530 5.475 0 40 HKAB CCC(=O)N(CC[C@@]1(c2ccccc2OC)CCO[C@@](C)(CC)C1)Cc1ccccc1 4812244 HSLBYBOWNAXFGN-RRPNLBNLSA-N 423.597 5.741 0 40 HKAB Cc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Br)cc2)cc1 4854382 BFLRHJAPFLTQHP-FQEVSTJZSA-N 410.315 5.196 0 40 HKAB Cc1cccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2ccc(F)cc2)c1 4890699 QXGOZUUYXVLLOM-UHFFFAOYSA-N 409.530 5.368 0 40 HKAB Cc1ccccc1C(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 4995955 PHXNFDSVWKYSOI-LJQANCHMSA-N 409.283 5.342 0 40 HKAB COc1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)cc1Cl 5481485 JUTRSZWQEFVFCB-KPZWWZAWSA-N 404.963 5.415 0 40 HKAB Cc1ccc(NCc2cc3c(-c4ccc(C)cc4)nn(-c4ccccc4)c3[nH]c2=O)cc1 6079385 CVOBZJBUYXEDME-UHFFFAOYSA-N 420.516 5.610 0 40 HKAB Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)C(C)(C)C)cc1 6233692 FSFIOJLJSIBANJ-XDJHFCHBSA-N 413.517 5.802 0 40 HKAB COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(C(C)C)cc3)n2)cc1OC 6365066 PNSSDQXBKUODRU-KPKJPENVSA-N 408.523 5.603 0 40 HKAB O=C(c1sccc1-c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 6608612 XTEDSJMQCKGHKN-UHFFFAOYSA-N 404.560 6.045 0 40 HKAB CC[C@@H](Oc1ccccc1F)C(=O)NCCSCc1ccc(Cl)cc1Cl 8041249 FLEFDMZATDICEY-QGZVFWFLSA-N 416.345 5.340 0 40 HKAB O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)c1ccc(Cl)cc1 8297910 BXUJIOYSDXXMAX-UHFFFAOYSA-N 412.946 5.474 0 40 HKAB C(=C/c1nc2ccccc2nc1/C=C/c1ccc2c(c1)OCO2)\c1ccc2c(c1)OCO2 8437545 XKMWKAGCTDZLLN-NXZHAISVSA-N 422.440 5.428 0 40 HKAB CCOc1ccc2nc(N3C(=O)/C(=C/c4ccc(Cl)cc4)N=C3S)sc2c1 8691468 VFQCBFLKVRWDCF-DHDCSXOGSA-N 415.927 5.022 0 40 HKAB aggregator COc1ccc(-c2cc(NC(=O)c3ccc(COC(C)C)cc3)ccc2OC)cc1 8729187 VLQDARDMYCGLHV-UHFFFAOYSA-N 405.494 5.548 0 40 HKAB COc1ccc(-c2cn3c(C)c(C(=O)Nc4nc5ccccc5s4)sc3n2)cc1 9382111 OTIKISCSDWFGBF-UHFFFAOYSA-N 420.519 5.242 0 40 HKAB COc1cccc2cc(-c3cc(=O)oc4cc(C)c(OC(=O)c5ccco5)cc34)oc12 9708077 REUXHQHHQXOGNP-UHFFFAOYSA-N 416.385 5.335 0 40 HKAB biogenic COc1cc(C)c(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)cc1OC 10642791 AAOJBIXQQADWHR-UHFFFAOYSA-N 423.494 5.146 0 40 HKAB Cc1cc(NC(=O)c2cccc(OCc3cscn3)c2)ccc1Br 10917020 GEGPXSRRBAGSEN-UHFFFAOYSA-N 403.301 5.045 0 40 HKAB O=C(Nc1nnc(-c2ccc(Cl)cc2Cl)s1)c1c(F)cccc1Cl 11667411 FUWFWQUGOWGCBR-UHFFFAOYSA-N 402.665 5.557 0 40 HKAB Cc1cc(C)c(C(=O)OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(C)c1 12541635 BISJZXOHNOCECZ-UHFFFAOYSA-N 423.896 5.853 0 40 HKAB COc1ccc(NC(=O)[C@@H](Oc2cccc(Cl)c2Cl)c2ccccc2)cc1 12617247 HKSFFESLBACKRF-FQEVSTJZSA-N 402.277 5.761 0 40 HKAB c1ccc(-c2nn3c(-c4ccncc4)nnc3s2)c(-c2nc3ccccc3s2)c1 13629572 VCSHNUXRGMXSNK-UHFFFAOYSA-N 412.503 5.192 0 40 HKAB Cc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc5ccccc5c4)cc3n2)cc1 13940159 YEIOXXMGPQQSIB-UHFFFAOYSA-N 422.488 5.208 0 40 HKAB Cc1ccc2c(c1)c1c(n2C[C@@H](O)CN(C2CCCCC2)C2CCCCC2)CCCC1 15231028 RPGHBQDZFKZBFD-DEOSSOPVSA-N 422.657 6.157 0 40 HKAB CCCCSc1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1 15975046 CGOVICVGULLSKD-QGZVFWFLSA-N 416.547 5.252 0 40 HKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1 17092581 OPKLYBQUQOIYTA-UHFFFAOYSA-N 421.294 6.072 0 40 HKAB CCc1c(-c2ccc(OC)cc2)nn(Cn2cc(Cl)cn2)c1-c1ccc(OC)cc1 17093354 IQACJBMRMGLURY-UHFFFAOYSA-N 422.916 5.152 0 40 HKAB COc1cc2c(cc1OC)[C@@H](C[C@@H](C)c1ccccc1)N[C@@H](c1ccc(C)cn1)C2 19216059 DRJCWFUJRNXAQN-DQMJNTIXSA-N 402.538 5.529 0 40 HKAB Cc1cc(C)cc(C2(C(=O)N[C@H](C)c3nc4ccccc4n3C(C)C)CCOCC2)c1 19662006 FJAVEGOHLWMPDH-HXUWFJFHSA-N 419.569 5.160 0 40 HKAB CC[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(C)cc1 20455268 VAAUMBGGYOMJPO-LJQANCHMSA-N 412.327 5.557 0 40 HKAB Cc1noc(-c2ccccc2NC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 22463548 SJCBTVNRAKUMOO-UHFFFAOYSA-N 404.278 5.819 0 40 HKAB O=C(Nc1cn(-c2ccccc2)nc1-c1ccccc1)OCc1ccccc1Cl 26780067 XVSNALUOCZERLO-UHFFFAOYSA-N 403.869 5.941 0 40 HKAB Cc1ccc(C)c(N(CC(=O)c2ccc(-c3ccccc3)cc2)C2=NCCCS2)c1 27027158 GPEAJIAMEYQJQY-UHFFFAOYSA-N 414.574 6.153 0 40 HKAB C[C@H](Sc1nnc(C2CCCCC2)o1)C(=O)N(c1nccs1)C1CCCCC1 32879969 NQEWARLLEMJVCD-AWEZNQCLSA-N 420.604 5.420 0 40 HKAB COc1ccc(CN(Cc2cc3ccc(C)c(C)c3nc2Cl)C(=O)C2CC2)cc1 35289725 LKBICVJAWWMSTF-UHFFFAOYSA-N 408.929 5.452 0 40 HKAB Cc1nc(-c2cccs2)sc1-c1ccc(SCc2cn3ccccc3n2)nn1 36652430 CITXBZGVQDNMEY-UHFFFAOYSA-N 421.576 5.577 0 40 HKAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccc(Cl)cc1Cl 38500979 ATMIODZFHHNBTL-UHFFFAOYSA-N 408.260 5.359 0 40 HKAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2F)n1 67296793 DTVKOVZNOCLJBI-ROMGYVFFSA-N 407.832 5.413 0 40 HKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72215241 WJXOZKTYYRFNDK-WIYYLYMNSA-N 423.557 5.599 0 40 HKAB Cc1ccc(CCC(=O)O[C@@H](c2c(C)nn(-c3ccccc3)c2C)C(F)(F)F)o1 72310744 BIQYTHQYMCVUOU-FQEVSTJZSA-N 406.404 5.170 0 40 HKAB O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2cc(Cl)ccc2c1Cl 85345110 GSDQMNCRHXHWQU-UHFFFAOYSA-N 407.105 5.681 0 40 HKAB Cc1cccc(NC(=O)NCc2sc3nc(-c4ccc(F)cc4)cn3c2C)c1C 90593872 GJXTUOUMQNJWLE-UHFFFAOYSA-N 408.502 5.449 0 40 HKAB Brc1cccc([C@H]2C[C@H](c3ccccc3)Nc3nc4ccccc4n32)c1 101100945 LMDDGDLLILQVSQ-TZIWHRDSSA-N 404.311 5.945 0 40 HKAB Cc1noc(C)c1CC(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1 208011619 BWVGGXPOFHLNGX-UHFFFAOYSA-N 407.470 5.402 0 40 HKAB Cc1c([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n(-c2ccccc2)c1C 222944076 SFWBHZFQWOZVAG-ZEQRLZLVSA-N 418.610 5.426 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 223529606 UQHNDLTWONMNNM-GOTSBHOMSA-N 417.549 6.196 0 40 HKAB CN(Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 223731885 GHOAIBYNBWMQLU-UHFFFAOYSA-N 422.333 5.606 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 224971262 CPMNDPZQCGWQIN-UHFFFAOYSA-N 423.581 7.136 0 40 HKAB Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225010399 RWVKWMDSOFCFQL-XZOQPEGZSA-N 402.567 5.096 0 40 HKAB CC[C@@H](C(=O)N1CCC[C@H](Cc2nc(-c3ccccc3C)no2)C1)c1ccccc1 225540777 HPEKPDODVUNVFA-TZIWHRDSSA-N 403.526 5.020 0 40 HKAB COC(=O)c1ccc(C)c(NC(=S)NCCCSCc2ccccc2Cl)c1 225606809 OYKKADDYIJETLW-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccc(Br)cc2)no1 225818991 HBXIYQSOKGMMNZ-UHFFFAOYSA-N 420.694 5.032 0 40 HKAB O=C(O)CCc1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1 226342371 NOMIBFCPNSFNJV-UHFFFAOYSA-N 422.077 5.491 0 40 HKAB Cc1cc(Br)ccc1NCc1cn(Cc2ccccc2F)c2ccccc12 408605840 GXGCLVGTTWMGFE-UHFFFAOYSA-N 423.329 6.512 0 40 HKAB Cc1cccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)c1 408724472 LAEHBKRJZHGWGY-UHFFFAOYSA-N 403.485 6.253 0 40 HKAB CCOc1cc(/C=C2/N=C(C)OC2=O)cc(Cl)c1OCc1ccc(Cl)cc1 408820603 XEZIBZIVRJYDSM-RQZCQDPDSA-N 406.265 5.287 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=S)NCc3ccccc3)C3CCCCC3)cc2c1 651178 NRSOYUXLAWVYIG-UHFFFAOYSA-N 419.594 5.046 0 40 HKAB C[C@H](CCc1ccccc1)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 672970 NNKSIQOENNVKNW-GOSISDBHSA-N 424.500 5.382 0 40 HKAB CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cc(C)ccc1C)c1ccccc12 944544 JYAPLDZBJOZAHD-UHFFFAOYSA-N 407.491 5.515 0 40 HKAB O=C(CCSc1nc2ccccc2s1)Nc1ccc(OCc2ccccc2)cc1 1441739 CTZPKXBPDDLJJI-UHFFFAOYSA-N 420.559 5.996 0 40 HKAB CC(=O)N(CC[C@@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccccc1 1790977 UYOWIZWKWSXQHL-MHZLTWQESA-N 401.550 6.045 0 40 HKAB biogenic CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccccc4)c3)nc2c1 1861705 UAZUVFVGIKMIEM-OAHLLOKOSA-N 404.897 6.914 0 40 HKAB COc1ccc(N2N=C(C(C)=O)N(c3ccccc3C)[C@H]2c2c[nH]c3ccccc23)cc1 2297746 KBUCURXYIOHXBM-AREMUKBSSA-N 424.504 5.413 0 40 HKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2)o1 2418428 CBMKXFNDBVSCJX-AWEZNQCLSA-N 412.942 6.240 0 40 HKAB Cc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccccc2Cl)cc1 2450140 WDDSYQORTGUQEP-UHFFFAOYSA-N 409.917 6.328 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1 2630568 CRXDQXMYHVQSRW-GOSISDBHSA-N 415.489 5.227 0 40 HKAB CCCCCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1 2721610 FKESXPMYUCGTAE-UHFFFAOYSA-N 401.553 5.765 0 40 HKAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc(Cl)s1 3280764 JXLTYVLNHNCSDC-UHFFFAOYSA-N 401.900 5.217 0 40 HKAB Cc1cc(Cl)ccc1OC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 3332468 PFPDIKBDLLCSPB-UHFFFAOYSA-N 408.925 6.744 0 40 HKAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1nc(-c2ccc3ccccc3c2)cs1 3369346 BWLTWMGUMVHLTQ-UHFFFAOYSA-N 412.436 6.163 0 40 HKAB COc1ccc(CN(CC[C@@]2(c3ccc(C)cc3)CCO[C@H](C(C)C)C2)C(C)=O)cc1 4043626 JGXOSEIPYHFJEJ-RRPNLBNLSA-N 423.597 5.515 0 40 HKAB biogenic ClC(Cl)(Cl)C1=Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 4452418 YFXJTSIEEQPPTC-UHFFFAOYSA-N 402.708 6.409 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)COc4ccc(C)c(C)c4)c3)nc2c1 4550950 RBDXHXDNFFYKQH-UHFFFAOYSA-N 414.505 6.054 0 40 HKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=S)NC(=O)c1ccccc1 4663597 OYWYRGAQOYUSAP-SANMLTNESA-N 414.574 5.696 0 40 HKAB Cc1cccc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)c1 4672147 QEWVDASEDLQLCZ-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1 4703858 QELBGMSYFQVHRU-UHFFFAOYSA-N 414.505 6.659 0 40 HKAB COc1cc2c(cc1OC)[C@H]1CCCC[C@@H]1O[C@@H]2c1ccc2oc3ccccc3c2c1 4783765 BWCLFDYZBYENDD-OVEGOBCQSA-N 414.501 6.749 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1 4883215 LQRATDFWKBPIBH-MQVJKMGUSA-N 423.504 5.474 0 40 HKAB Cc1ccc(C2=NC3(CCCCC3)N=C2SCC(=O)Nc2ccc(F)cc2)cc1 4891458 RMPPZWIRRZOUKK-UHFFFAOYSA-N 409.530 5.368 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2sccc2n1Cc1ccccc1 4970992 VKDCQRCECBVRFV-UHFFFAOYSA-N 401.318 6.310 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(N(Cc3ccccc3)C(=O)C3CCC3)s2)cc1 4982688 YEERKIUSVJZBBB-UHFFFAOYSA-N 405.567 5.836 0 40 HKAB CCOC(=O)[C@@](CCC(=O)O)(CCC(C)C)c1csc(Cc2ccc(C)cc2)n1 5022661 VWDGEKUYMAYVPY-HSZRJFAPSA-N 417.571 5.144 0 40 HKAB N[C@H](CSC(c1ccccc1)(c1ccccc1)c1cccc2ccccc12)C(=O)O 5049519 WUEMKWIMYPFRNV-XMMPIXPASA-N 413.542 5.277 0 40 HKAB Cc1ccc(C)c(-c2csc(NC(=O)CSc3nc4cc(C)ccc4[nH]3)n2)c1 5356946 AQTMWCKFISEEMP-UHFFFAOYSA-N 408.552 5.342 0 40 HKAB Cc1ccc(CSc2nc(N3CCCC3)c3sc4nc(C)cc(C)c4c3n2)cc1 5794285 YVXPHHKRBZDKBQ-UHFFFAOYSA-N 420.607 6.057 0 40 HKAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 5980263 CNCOODWFARXIQD-UHFFFAOYSA-N 422.500 5.471 0 40 HKAB CCCCOc1ccc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 6273760 BAIBXUIOYQLRNB-UHFFFAOYSA-N 402.519 6.395 0 40 HKAB COc1c(Br)cc(CNc2cccc(Cl)c2)cc1Br 6380370 FRTFGAWFGFHKKW-UHFFFAOYSA-N 405.517 5.486 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)COc3ccccc3C(C)(C)C)ccc21 7382330 HCFUVIICXDFALD-UHFFFAOYSA-N 400.522 6.129 0 40 HKAB Cc1ccc(NC(=O)c2cc3c(-c4ccccc4)nn(-c4ccccc4)c3s2)cc1 8590509 CABRFUUVPLTEAF-UHFFFAOYSA-N 409.514 6.315 0 40 HKAB Cc1ccsc1CN(Cc1ccco1)C(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 9204581 JOYRSQRVPYLKBR-KRWDZBQOSA-N 417.958 5.916 0 40 HKAB Cc1cc(C)c2oc(C(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)c(C)c2c1 9431916 QJEVZLXIECBKIX-UHFFFAOYSA-N 407.897 6.447 0 40 HKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 10120119 AFLBLESEZQAWQW-QGZVFWFLSA-N 400.478 5.848 0 40 HKAB O=C(c1ccc(F)cc1)N(CCCn1ccnc1)c1nc2ccc(Cl)cc2s1 10381551 FWMVZNGKNQKVIA-UHFFFAOYSA-N 414.893 5.022 0 40 HKAB FC(F)(F)c1ccc(Oc2ccc(Oc3nccc(C(F)(F)F)n3)cc2)nc1 12527944 QCBBUYDCMUKDDK-UHFFFAOYSA-N 401.266 5.494 0 40 HKAB O=C(NCc1cccc(Cl)c1Cl)N1c2ccccc2Sc2ccccc21 13574577 PHWKBVGGUVBXCY-UHFFFAOYSA-N 401.318 6.506 0 40 HKAB CCc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccc4nccnc4c3)C2)cc1 13727886 IFSBAVYCISZKNN-JOCHJYFZSA-N 412.518 5.245 0 40 HKAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 14190117 XSIBPFPENKWXEB-HXUWFJFHSA-N 410.587 5.062 0 40 HKAB COc1cc([C@H]2CC(=O)Nc3sc4c(c32)CC[C@@H](C(C)(C)C)C4)cc(OC)c1O 15107013 BYTFMTNRIZAHAL-UKRRQHHQSA-N 415.555 5.096 0 40 HKAB Cc1ccc([C@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(C)cc2C)cc1 15412205 PPHXYOGVFOAINC-SANMLTNESA-N 412.533 5.350 0 40 HKAB Fc1ccccc1-c1cc(-c2ccccc2F)n(-c2ccc(Cl)cc2Cl)n1 17082127 NTRLTOGIZZJRAI-UHFFFAOYSA-N 401.243 6.791 0 40 HKAB O=C1[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 18044502 OWXRIXNNWKJTDH-CJRSTVEYSA-N 413.904 5.583 0 40 HKAB biogenic COc1cc2c(cc1OC)[C@H](c1ccc(Cl)c(Cl)c1)N[C@H](c1cccnc1)C2 19550759 HSRHXYXERKDGBU-UGKGYDQZSA-N 415.320 5.382 0 40 HKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H](CC)Sc1ccc(Cl)cc1 20041310 SPICBVBOTSEANE-LIRRHRJNSA-N 404.963 5.378 0 40 HKAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 20140071 FSKHJLGBSWMSFP-UHFFFAOYSA-N 410.640 5.857 0 40 HKAB Cc1ccc(-c2csc(SCC(=O)N3CCC[C@@H]3c3cccs3)n2)cc1 24633852 RERSSJLKMYATAN-QGZVFWFLSA-N 400.594 5.636 0 40 HKAB CC(=O)NCc1ccc(-c2csc(-c3ccc(NC(=O)c4ccco4)cc3)n2)s1 25317937 ZCBLTJWYCBPAEQ-UHFFFAOYSA-N 423.519 5.020 0 40 HKAB CC(C)N(CCNC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)C(C)C 27458423 ZMCBTAUVEFZVIR-UHFFFAOYSA-N 419.569 5.176 0 40 HKAB CCN(CC)[C@H](CNC(=O)COc1ccccc1Cl)c1ccc(C(C)(C)C)cc1 28290576 JBQIQWFRCWDCQH-OAQYLSRUSA-N 416.993 5.216 0 40 HKAB Cc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(C)c2C)cc1 28527799 JKSWPBRPCAHDTE-UHFFFAOYSA-N 403.530 5.168 0 40 HKAB Cc1c(C(=O)NCc2nc3ccccc3s2)sc2nc(C(F)(F)F)ccc12 29071929 OOZQQIZTJHFXJW-UHFFFAOYSA-N 407.442 5.163 0 40 HKAB CCCCC(=O)Nc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1OC 32115382 QNYZLWSNLHKBSU-UHFFFAOYSA-N 416.521 5.595 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 32623587 UXMJCCOJYVETBC-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CCCc1ccc([C@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c2cccs2)cc1 32885638 WFUNENBDQVNXOX-XXBNENTESA-N 404.535 5.032 0 40 HKAB CC[C@H]1CCc2nn(-c3nc(-c4ccc(Cl)cc4)cs3)c(C(F)(F)F)c2C1 33436057 WPBYNJVXPGCEOR-NSHDSACASA-N 411.880 6.183 0 40 HKAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3cccc(Br)c3)s2)cc1 36107970 RSBBFKNUEOYHOC-UHFFFAOYSA-N 417.328 5.354 0 40 HKAB COc1ccc(C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@H]2c2ccccc2F)cc1 40485524 RTEBUNUBLMFBLL-QFIPXVFZSA-N 407.416 5.026 0 40 HKAB CCSc1ccccc1NC(=O)COc1ccc(C(C)C)cc1Br 44900089 IDSMZZNQLWHWGG-UHFFFAOYSA-N 408.361 5.702 0 40 HKAB Cc1cc2nc(N)sc2c(C)c1NC(=O)COc1c(C)cc(Cl)cc1Cl 45890382 SRSUZPAKXULQJA-UHFFFAOYSA-N 410.326 5.128 0 40 HKAB COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)cc(Cl)c1OC(C)C 50547987 OSNSKWOAVRRIEQ-YVLHZVERSA-N 418.902 5.230 0 40 HKAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc2nsnc2c1 57313186 CKNXGDQBSUDEQA-UHFFFAOYSA-N 402.504 5.529 0 40 HKAB CN(CCCc1cc(-c2ccccc2)no1)C(=O)COc1cc(Cl)ccc1Cl 58197246 MEOIAYSHMLXILW-UHFFFAOYSA-N 419.308 5.118 0 40 HKAB Cc1nc2ccc(C(=O)N(C3CC3)[C@@H](C)c3cccc(C(F)(F)F)c3)cc2nc1C 58392634 KWHOPTGYRXDCDJ-HNNXBMFYSA-N 413.443 5.631 0 40 HKAB COC(=O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc3ccccc3c2)cc1 59483218 CDIYBEQWXGNLFU-XMMPIXPASA-N 408.457 5.398 0 40 HKAB CCCCCn1c(SCc2ccccc2C(F)(F)F)nc2ccccc2c1=O 67259041 IHFUELPSSXMFIZ-UHFFFAOYSA-N 406.473 5.898 0 40 HKAB Cc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)c(Cl)c1 67297054 NVQASLCJLZXIDO-PNHLSOANSA-N 402.881 6.188 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1nc(-c2ccccc2Cl)no1 95482201 QPYBSGKYTPUJKM-SOFGYWHQSA-N 408.672 5.026 0 40 HKAB COc1ccc2c(c1)CCN=C2Cc1cc(OCc2ccccc2)c(OC)cc1C 96316369 AWYZATHQLCPHEZ-UHFFFAOYSA-N 401.506 5.179 0 40 HKAB biogenic,in-vitro CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)OC(C)=O)[C@@]4(C)CC[C@@H]32)C1 96331809 KNPATZSHRPGJID-HXRMFLBJSA-N 402.575 5.449 0 40 HKAB Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)Cc3ccccc3)cc(C)c2o1 98086958 JPMDVHNABFGDFK-UHFFFAOYSA-N 415.518 5.167 0 40 HKAB COc1ccc(CC/N=c2/cc(-c3ccccc3)oc3ccc(Cl)cc23)cc1OC 100267104 PJTQTJJCCMETPW-MEFGMAGPSA-N 419.908 5.914 0 40 HKAB COc1ccc([C@@]23C(=C(c4ccccc4)c4ccccc4)[C@@H]4C[C@@H]2[C@@]3(C)C4(C)C)cc1 100366007 BPROIXCAMGDCTI-UAPGQXJBSA-N 406.569 7.131 0 40 HKAB Brc1ccc(-c2cs/c(=N\Cc3ccccc3)n2-c2ccccc2)cc1 100495356 UNYZTOJVGPVUKY-GYHWCHFESA-N 421.363 6.069 0 40 HKAB COc1ccc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)c(OC)c1OC 102798043 GHTUVFNVRMNFLK-OAQYLSRUSA-N 408.498 5.584 0 40 HKAB Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(F)c(F)c2)cc1 103175206 ZSIMTYCGSOROSH-UNMCSNQZSA-N 414.814 6.000 0 40 HKAB COc1ccc(Cl)cc1NC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2 104583737 OBMJFYIWHXFLMO-LYBIEXDWSA-N 409.957 6.134 0 40 HKAB COc1ccccc1CCC1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 141554278 AFEWLQZVOHXVCL-UHFFFAOYSA-N 406.570 5.171 0 40 HKAB O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1ccc(F)cc1Cl 215136125 QFCBZLNYRRPKKS-VIZOYTHASA-N 416.688 6.022 0 40 HKAB CC[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(C)c(C)c1 218858362 AMHXCQQBVXVZNM-QGZVFWFLSA-N 410.739 5.366 0 40 HKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 222984253 MBRZKEQZVAAWLE-DEOSSOPVSA-N 416.521 5.030 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)CSCc2c(F)cccc2Cl)cc1C(C)C 223273952 UGGOUWSUBPCSER-HNNXBMFYSA-N 423.981 6.030 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3OC)o2)cc1 224909739 FFFQXEZWGHNQSE-UHFFFAOYSA-N 400.434 5.278 0 40 HKAB CCOc1cccc(CNC(=S)Nc2ccc(CSc3ccccc3)cc2)c1 225439253 YXMYFHJAMZMHJS-UHFFFAOYSA-N 408.592 5.864 0 40 HKAB Cc1cccc([C@H](NC(=S)Nc2cccc(N3CCCC3=O)c2)c2ccccc2)c1 225701240 GQBQEWFZRMDVTJ-XMMPIXPASA-N 415.562 5.198 0 40 HKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225749729 GSQSOXFZBQNNMD-RUZDIDTESA-N 418.622 5.501 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(C)COC(c3cccs3)OC2)c2ccccc12 225921789 CKXVOKPVCMJRMY-UHFFFAOYSA-N 411.523 5.379 0 40 HKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccccc2I)c1 228966523 IKXMRRGBTQERFG-UHFFFAOYSA-N 410.255 5.068 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)COc1cccc(C)c1C 408623971 AAZNRMJRFXUGPL-UHFFFAOYSA-N 402.519 5.906 0 40 HKAB CCn1c(S/C(=C\c2ccc(Cl)cc2)C(=O)O)nnc1-c1ccc(Cl)cc1 408632337 DNSRYGIDNQHDCS-WJDWOHSUSA-N 420.321 5.490 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(F)cc2)cc1C 408694319 IYHLCFFNXJOICS-UHFFFAOYSA-N 404.420 5.082 0 40 HKAB Cc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccncc2)cc1C 409104778 ICONSYWRMACAMQ-UHFFFAOYSA-N 400.551 5.671 0 40 HKAB COc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1ccc(Cl)cc1 409110923 AUDGIALGEDEKDP-UHFFFAOYSA-N 416.348 6.810 0 40 HKAB COc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(F)c2)cc1 409114546 HFWRIHIOOVBPHU-UHFFFAOYSA-N 406.284 6.332 0 40 HKAB Clc1ccccc1NCc1ccccc1OCc1ccc(Br)cc1 409181852 FZJZZLQNFUNNAS-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB Cc1ccc(OC(C)C)c(-c2ccc(C(=O)O)c(COc3ccc(C)c(C)c3)n2)c1 585264979 AAJMTENQJWDFAD-UHFFFAOYSA-N 405.494 5.738 0 40 HKAB O=C1NCCCc2ccccc2[C@@H](c2ccccc2)N1C1CCN(C2CCCC2)CC1 2037978161 DYRIIGCOKCJSIG-AREMUKBSSA-N 417.597 5.141 0 40 HKAB Clc1ccc(CSc2ncnc3c2[nH]c2ccc(Br)cc23)cc1 2087143860 FBUVJCZZHYWCBP-UHFFFAOYSA-N 404.720 5.819 0 40 HKAB Cc1ccc(OC(=O)c2ccc(C)c(Br)c2)c(-n2nc3ccccc3n2)c1 990619 BZNCCAYCOYJAFL-UHFFFAOYSA-N 422.282 5.019 0 40 HKAB Cc1cc(-c2nc3cc(NC(=O)/C=C/c4ccco4)ccc3o2)ccc1Br 1173996 XTPSVHFJJXWHNY-RMKNXTFCSA-N 423.266 5.811 0 40 HKAB CC(C)c1ccc(Cn2c([C@H]3CC(=O)N(c4ccccc4)C3)nc3ccccc32)cc1 1448245 SVEVWNAUWQQRIR-QFIPXVFZSA-N 409.533 5.729 0 40 HKAB Cc1cccc(C)c1NC(=O)C(Cl)(Cl)Sc1ccc(Cl)cc1Cl 1573555 SRTDIEQPSVECTD-UHFFFAOYSA-N 409.165 6.472 0 40 HKAB O=c1cc(-c2ccccc2)c2ccc(OCc3cccc(Oc4ccccc4)c3)cc2o1 1781200 ORCPAHYRAWLMNV-UHFFFAOYSA-N 420.464 6.831 0 40 HKAB Cc1c(OCc2cccc(C(F)(F)F)c2)ccc2c(-c3ccccc3)cc(=O)oc12 1902799 NTGBHWGTSWGWGP-UHFFFAOYSA-N 410.391 6.366 0 40 HKAB Cc1ccc(-c2nc3c(Br)c(N)c(Br)cc3o2)c(Cl)c1 2211744 BRWYKUVEZFQMSG-UHFFFAOYSA-N 416.500 5.564 0 40 HKAB CCCCc1ccc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1 2246863 SBVBYLRZBCGJBO-UHFFFAOYSA-N 412.924 6.632 0 40 HKAB COC(=O)c1ccc(COC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)cc1 2427806 RSXQZDGQARWIII-UHFFFAOYSA-N 411.457 5.354 0 40 HKAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CNCCc1ccc(Cl)cc1Cl 2624222 DGKDLJCTMUKITD-LJQANCHMSA-N 410.385 5.171 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N[C@H]4C[C@H](C)CC(C)(C)C4)ncnc32)cc1 2714362 BVHUSVVAAOTSML-UNMCSNQZSA-N 424.592 7.023 0 40 HKAB CCOc1ccc([C@@H]2C=C(c3ccc(C(C)C)cc3)Nc3nc4ccccc4n32)cc1 2919434 LTGPJZZKNJRPCC-SANMLTNESA-N 409.533 6.614 0 40 HKAB Cc1cc(=O)oc2cc(OCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)ccc12 3242647 SSNXLHIYMFDOIT-UHFFFAOYSA-N 412.656 5.079 0 40 HKAB biogenic Cc1cccc(Oc2ccc(Cl)cc2NCC(=O)Nc2ccc(Cl)cc2)c1 3305826 XYRFBGDLTWMNDE-UHFFFAOYSA-N 401.293 6.145 0 40 HKAB c1cncc(-c2nc(Oc3ccc4ccccc4c3)c3c4c(sc3n2)CCCC4)c1 3330505 DNMFFJCTVODBFM-UHFFFAOYSA-N 409.514 6.578 0 40 HKAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(-c4ccccc4)cc3)NC(=O)CCN21 4000213 RROWJIDBOKEPEV-RRMBJHDJSA-N 408.545 5.689 0 40 HKAB biogenic O=C(COc1ccccc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 4109870 LSTDCUKBBVJTRG-UHFFFAOYSA-N 412.839 5.367 0 40 HKAB COc1ccccc1C(=O)N(Cc1cccnc1)c1nc2c(Cl)cccc2s1 4273269 MGSLBYOBQWHHLG-UHFFFAOYSA-N 409.898 5.200 0 40 HKAB Cc1[nH]c2ccccc2c1C(c1ccc(OC(F)F)cc1)c1c(C)[nH]c2ccccc12 4276299 YVKKNNVBUCZZPH-UHFFFAOYSA-N 416.471 7.048 0 40 HKAB CC(C)COP(=O)(OCC(C)C)[C@@H](C)OP(=O)(OC(C)C)OC(C)C 4705706 FJLFRRYIKUXXDS-INIZCTEOSA-N 402.405 5.845 0 40 HKAB CCN(c1cc(-c2ccccc2)nc2cc(-c3ccc(F)cc3)nn12)C1CCCCC1 4980455 VUYOSMQRSXKDTJ-UHFFFAOYSA-N 414.528 6.361 0 40 HKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)CCC(=O)CC[C@]12C 5029449 FREFZRPOTWOACU-CGMUPKQHSA-N 400.691 8.067 0 40 HKAB O=C(NCc1ccccc1)c1cc2c([nH]c3ccccc32)c(CCc2ccccc2)n1 6111601 SCMIDZZNFRDWSH-UHFFFAOYSA-N 405.501 5.431 0 40 HKAB biogenic CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1 6207641 TVGYGKPVZYSUMF-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB CCCCC1=N[C@H]2Sc3c(NCCc4ccccc4)ncnc3[C@@H]2C2=C1CCC2 6309823 VJPVCPKWDBIHAA-RDPSFJRHSA-N 404.583 5.772 0 40 HKAB CCOC(=O)c1ccc2nc(NC(=O)c3cc(Cl)sc3Cl)sc2c1 6327964 JHBNRXUFJNJMGU-UHFFFAOYSA-N 401.296 5.094 0 40 HKAB Clc1ccc2ccccc2c1OCCCCCN1CCCC[C@H]1c1cccnc1 6673232 CRYJQBVZDPENQK-DEOSSOPVSA-N 408.973 6.665 0 40 HKAB biogenic CC(=O)c1sc(NC(=O)c2ccccc2Br)nc1-c1ccccc1 6949974 GTCCHGMNBWIOCK-UHFFFAOYSA-N 401.285 5.028 0 40 HKAB CCc1ccc(-c2noc(CSc3nnc(C4CC4)n3-c3ccccc3)n2)cc1 6976246 UPFVHZRFLSAILM-UHFFFAOYSA-N 403.511 5.049 0 40 HKAB COc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 7537957 NERDIVUYCDCDBK-UHFFFAOYSA-N 416.348 6.179 0 40 HKAB Cc1sc2nc(CSc3ccc(Cl)cc3)nc(Oc3cccnc3)c2c1C 7785953 VFJJMBDGBGSUGO-UHFFFAOYSA-N 413.955 6.441 0 40 HKAB COc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1Cl 8161522 HHXTWBKZFROUIV-UHFFFAOYSA-N 411.668 6.272 0 40 HKAB Cc1nc(-c2cccc(NC(=O)c3cc(Cl)c4c(c3)OCCCO4)c2)cs1 8328315 ARHRAOMTAHFTOM-UHFFFAOYSA-N 400.887 5.186 0 40 HKAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(CSc2ccccc2)cc1C 8498260 HOONJKXFXOTHPJ-GOSISDBHSA-N 407.535 5.702 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1 9063362 VYAIBWMLPSYZPW-UHFFFAOYSA-N 418.968 5.458 0 40 HKAB CC(C)CCN1C(=O)CCc2cc(NC(=O)c3ccccc3Br)ccc21 9164823 LWMCUKYFBRVJBK-UHFFFAOYSA-N 415.331 5.027 0 40 HKAB Cc1nn([C@@H](C)CC(=O)N2CCC[C@H](c3cc4ccccc4cn3)C2)c(C)c1Cl 12188173 CSFVIJQEZPBRNV-YWZLYKJASA-N 410.949 5.059 0 40 HKAB Nc1c(C(=O)Nc2cccc(Cl)c2Cl)c2ccccn2c1C(=O)c1ccccc1 12342124 ANCVEUVVRWBVRM-UHFFFAOYSA-N 424.287 5.312 0 40 HKAB C[C@@H](c1ccccc1)n1c(SCC(=O)c2ccccn2)nc2cc(Cl)ccc21 12401953 KWRROBQKFURBFE-HNNXBMFYSA-N 407.926 5.669 0 40 HKAB Cc1cc(C)c2c(N(C(=O)CC(C)C)C(=O)CC(C)C)c(-c3ccon3)sc2n1 12446547 QUTPZPGYBJEBKV-UHFFFAOYSA-N 413.543 5.520 0 40 HKAB O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1cccnc1 12524583 AOIYMAOKGFKCFX-DRXLFAFDSA-N 415.260 7.246 0 40 HKAB Oc1c(Br)cc(/C=C/c2nc3ccccc3s2)cc1Br 12659481 WBSIZRDFPCWMGC-AATRIKPKSA-N 411.118 5.697 0 40 HKAB Cc1nc(-c2ccc(CCNC(=O)CCc3ncc(-c4ccccc4)o3)s2)cs1 12774147 DZNSJAYCRMPGNX-UHFFFAOYSA-N 423.563 5.127 0 40 HKAB Cc1nc(C2CC2)nc2sc(C(=O)NCc3ccc(OC(F)(F)F)cc3)c(C)c12 12875008 HKCGAKOMOIHNPT-UHFFFAOYSA-N 421.444 5.014 0 40 HKAB Cc1oc(-c2ccccc2)nc1CS[C@H](C)C(=O)Nc1c(Cl)cccc1Cl 13018193 BXKWBDPBKHWMSX-CYBMUJFWSA-N 421.349 6.217 0 40 HKAB Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]2c2cccs2)cc1 13096696 LLDJTMQXNIEOIY-UGKGYDQZSA-N 424.953 5.833 0 40 HKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccccc1SCc1ccsc1 13120794 ITCFEXLOZNYJGB-UHFFFAOYSA-N 423.559 6.334 0 40 HKAB O=C(Nc1ccc(Br)cc1F)c1ccccc1SCc1ccccc1 13608706 WBLCYYDVVQHONA-UHFFFAOYSA-N 416.315 6.133 0 40 HKAB COc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 17088792 MMCDINWTWQDGHZ-UHFFFAOYSA-N 411.335 5.344 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)cc1 17092316 DHDHYLKSSRAOJD-LHHJGKSTSA-N 420.534 5.089 0 40 HKAB Cc1ccc2nc(NC(=O)CCCC(=O)Nc3nc4ccc(C)cc4s3)sc2c1 17094068 QPGBZFAZDVDMCK-UHFFFAOYSA-N 424.551 5.270 0 40 HKAB O=C([C@@H]1CC12CCC2)N1CCC[C@H](c2nc(Nc3cccc(F)c3)n3ccsc23)C1 19294191 UHXYHTUKAMTTGT-YJBOKZPZSA-N 424.545 5.175 0 40 HKAB Cc1noc(-c2c[nH]nc2[C@H]2CCCCN2Cc2cccc(Cl)c2Cl)c1C 19557985 CNBNCZIRQWHLTC-QGZVFWFLSA-N 405.329 5.716 0 40 HKAB CC(C)n1c([C@@H](C)NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)nc2ccccc21 19661933 UQQWSJCUIPEPDP-GFCCVEGCSA-N 415.419 5.003 0 40 HKAB COc1ccc(-n2nc(Nc3cccc(C(F)(F)F)c3)c3c2CCCC3=O)cc1 20796778 DGTMPKWPTRLWED-UHFFFAOYSA-N 401.388 5.162 0 40 HKAB CC(C)Oc1ccc([C@@H]2CC(=O)Nc3c2cc(Br)c2ccccc32)cc1 20851431 OEPKTPBCLGWPHN-SFHVURJKSA-N 410.311 5.864 0 40 HKAB COc1ccc(-c2nc(CSc3nc4ccccc4nc3C)cs2)cc1OC 29282804 RFYCQVOUPXMAES-UHFFFAOYSA-N 409.536 5.371 0 40 HKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)C1 30753742 SDTJSRFTXCQIHT-CQSZACIVSA-N 410.867 5.843 0 40 HKAB CC(=O)N(CC[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 32096992 QTDJRNMXMWGMNJ-PKTZIBPZSA-N 417.952 5.807 0 40 HKAB Cc1nc2ccccc2c(C)c1CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 32988517 VUTZBMQXFZGCCV-DEOSSOPVSA-N 421.972 5.001 0 40 HKAB Clc1ccc(/C=C2/CCCc3c2nc2ncnn2c3-c2ccc(Cl)cc2)cc1 33551847 ACRPALTVUCFQCJ-VBKFSLOCSA-N 407.304 5.975 0 40 HKAB COc1ccc(CNC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 33808195 HURBEKBJKMJVJM-UHFFFAOYSA-N 408.367 5.219 0 40 HKAB O=S1(=O)OC2(c3ccc(Cl)cc3Oc3cc(Cl)ccc32)c2ccccc21 34515778 LQLICSQMYYZYEV-UHFFFAOYSA-N 405.258 5.110 0 40 HKAB CC(=O)O[C@H]1CCc2c(ccc3c2CC[C@@]2(C)[C@@H]3CC[C@@H]2[C@H](C)CC[C@H](C)C(C)C)C1 36372323 KREGYMYHIDTTHK-BNKFXKGKSA-N 424.669 7.262 0 40 HKAB CNC(=O)c1ccc(/C=C/C(=O)Nc2ccccc2SCc2ccsc2)cc1 36394812 NIGPVCILAYFUMD-DHZHZOJOSA-N 408.548 5.052 0 40 HKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Br)c2)cc1 40485988 CKRRIKKXORLHCC-HXUWFJFHSA-N 424.294 5.403 0 40 HKAB COc1ccc(CN2C(=O)C(O)=C(c3ccc(C)cc3)[C@H]2c2cccc(F)c2)cc1 40486010 BYQIVVQUBGCKCY-HSZRJFAPSA-N 403.453 5.196 0 40 HKAB Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)cc1C 41076874 UJKSRADHHYBZOJ-UHFFFAOYSA-N 419.525 5.571 0 40 HKAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)c1nc2ccccc2n1C(F)F 46555720 VLPGQIFQLRBZDC-SNVBAGLBSA-N 424.398 6.247 0 40 HKAB CN(Cc1nc2ccccc2s1)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 49655155 AWPQZAXDYSYVHV-JOCHJYFZSA-N 405.498 5.247 0 40 HKAB Cc1[nH]c2ccccc2c1CSc1nnc(-c2ccc(Cl)cc2Cl)n1C 59417501 QMXJRNQUKIIYIX-UHFFFAOYSA-N 403.338 5.871 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C 64219035 OTVRYZXVVMZHHW-AALSTEHBSA-N 405.110 8.635 0 40 HKAB biogenic Cc1csc(C2(NCc3coc(-c4ccc(Br)cc4)n3)CCCC2)n1 72308884 DACJRWPPYWWBRI-UHFFFAOYSA-N 418.360 5.428 0 40 HKAB Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN2Cc2c(C)nn(C(C)C)c2C)n1 72372710 DQNLRFZMJCMSMB-QHCPKHFHSA-N 404.562 5.260 0 40 HKAB CN(CCCC(=O)N1CCC[C@@H]1c1n[nH]cc1-c1cccc(Cl)c1)c1ccccc1 72380415 OJWXPBKVXWXPHK-JOCHJYFZSA-N 422.960 5.310 0 40 HKAB O=C(OC1CCN(c2ccc(Cl)cn2)CC1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 84502251 ALFJKSGRVNBNMB-IRXDYDNUSA-N 424.850 5.070 0 40 HKAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O 96589836 SDMJLNKNFXHQRB-QUCCMNQESA-N 400.478 5.027 0 40 HKAB O=C(Nc1ccc(Br)cc1)C1[C@H]2CC[C@@H]3[C@@H](CC[C@@H]12)C3(Cl)Cl 102683207 IHGXONDQOAQJQW-PFNKYVCDSA-N 403.147 5.244 0 40 HKAB C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118913233 WQLVFSAGQJTQCK-JCUATARGSA-N 414.630 5.714 0 40 HKAB O=C(Nc1ccc(OCc2ccccc2F)cc1)[C@H]1CC(c2ccccc2Cl)=NO1 141581853 LMFKIBNNSMUSSX-JOCHJYFZSA-N 424.859 5.190 0 40 HKAB CCOc1c(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cccc1OC 215109063 XYOBWVCWYLDOSV-RQZCQDPDSA-N 421.877 5.123 0 40 HKAB CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 216829881 ITSUXFDQJYQEDX-UHFFFAOYSA-N 403.689 5.801 0 40 HKAB CC(C)OCCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1)N2 222424834 DDHDYFBHPANCQY-SUYKCVEVSA-N 418.581 5.528 0 40 HKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Cl)c(OC)c(Cl)c3)N21 222667678 ACLCDJWGWRXWNO-CSMYWGQOSA-N 408.354 5.376 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 223031699 PVFYGGCDNVHJGF-UXHICEINSA-N 401.934 5.533 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1C(C)C 223328956 XPQKACZUCOAKKX-KRWDZBQOSA-N 403.950 5.653 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1c1ccccc1 224186147 QKROYZJPWIWTBR-GOTSBHOMSA-N 402.567 5.565 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1cccc(OC)c1 224586511 KDJUBJWFOYHXCI-UHFFFAOYSA-N 419.521 5.796 0 40 HKAB CCOc1ccc(C(=O)NCc2ccco2)cc1COc1ccc2ccccc2c1 224639270 MTGAFXYSOXNGND-UHFFFAOYSA-N 401.462 5.341 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C)cc3)o2)c(OC)c1 224931081 WNFVMANHOIFHIW-UHFFFAOYSA-N 414.461 5.587 0 40 HKAB CC[C@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc(OC)c(C)c1 225623205 JSQOHROOVKOFHC-QFIPXVFZSA-N 414.977 5.137 0 40 HKAB Cc1cccc(C(=O)N[C@@]2(C)C[C@@H](c3ccc(Cl)cc3)O[C@H]3C[C@@H](C)CC[C@@H]32)c1 257240162 HSHYVAVLSTUMTO-YXAWXADKSA-N 411.973 6.103 0 40 HKAB CCCc1s/c(=N\C(=O)c2ccc(OC)c(OC)c2)n(CC)c1-c1ccc(C)cc1 408560124 CBQBHVMQHYCZDO-IZHYLOQSSA-N 424.566 5.256 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2cccc(C)c2)cc1 408700208 ZNBNRLCJPRHKSF-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cccc(COc2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc2)c1 408816559 JVLGWEFGKURCFM-JCMHNJIXSA-N 401.487 5.815 0 40 HKAB CC(C)N(C(=O)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)C(C)C 408975392 BAHDQCUIHUSXAU-UHFFFAOYSA-N 402.502 5.271 0 40 HKAB COc1cc(/C=C2\Sc3ccccc3NC2=O)cc(Cl)c1OCc1ccccc1 409097988 JSYXYWIMIYFMSY-BKUYFWCQSA-N 423.921 6.013 0 40 HKAB CC(C)(C)c1ccc(C(=O)N2N=C3CC[C@H](C(C)(C)C)C[C@@H]3[C@@]2(O)C(F)(F)F)cc1 409098059 IEXLYHXEQWAWHI-PNLZDCPESA-N 424.507 5.509 0 40 HKAB CCc1sc2nc(SCCc3ccccc3)n(-c3ccc(C)cc3)c(=O)c2c1C 409110988 BBTWXQPSUDAOIQ-UHFFFAOYSA-N 420.603 5.961 0 40 HKAB CCc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1 409115726 JZIPFYSPDOEHFU-UHFFFAOYSA-N 400.349 7.055 0 40 HKAB Nc1c(C(=O)N2c3ccccc3Sc3ccccc32)sc2nc3c(cc12)CCC3 688341 JFNNYIRDWDFZEA-UHFFFAOYSA-N 415.543 5.810 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cn(-c2ccccc2)nc1-c1ccccc1 712306 YZSXPRRCKFLQBU-UHFFFAOYSA-N 407.395 5.810 0 40 HKAB CCOC(=O)c1c(C)n(C)c2cc(Br)c(OCc3ccccc3)cc12 727208 WGUNYURSGXJFBE-UHFFFAOYSA-N 402.288 5.005 0 40 HKAB biogenic Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)CC2 1529444 QUEDXNHFTDJVIY-RZIGYZOXSA-N 416.690 8.532 0 40 HKAB endogenous,world O=C(Oc1ccc2cc(Br)ccc2c1)c1ccc(-c2ccccc2)cc1 2069541 IILXWNWQXVNFHB-UHFFFAOYSA-N 403.275 6.489 0 40 HKAB CCCCCSc1nnc2c(n1)O[C@H](c1ccc(C)o1)N(C(C)=O)c1ccccc1-2 2095206 GLEHUOOLYMAQRK-OAQYLSRUSA-N 424.526 5.166 0 40 HKAB CCc1cccc(N2COc3ccc4c(-c5ccc(OC)cc5)cc(=O)oc4c3C2)c1 2112785 QLEFSHXETFKJNP-UHFFFAOYSA-N 413.473 5.388 0 40 HKAB biogenic O=C(c1sc(Cl)c(Cl)c1Cl)c1sc(Cl)c(Cl)c1Cl 2346704 DKBYFYMQZIMUAH-UHFFFAOYSA-N 400.950 6.961 0 40 HKAB CC(C)OC(=O)c1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCCC2 2352006 NBTQNAKXGIXIAP-UHFFFAOYSA-N 411.445 5.463 0 40 HKAB O=C(NC(=C(Cl)Cl)c1ccccc1)NC(=C(Cl)Cl)c1ccccc1 3013835 DRSPETWYMSDATE-UHFFFAOYSA-N 402.108 5.893 0 40 HKAB CC(C)(C)c1ccc(C(=O)Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1 3622641 QVEAAEOYEFPUBR-UHFFFAOYSA-N 416.304 6.697 0 40 HKAB O=C(Nc1nnc(-c2ccccc2Cl)s1)c1ccc(Cc2ccccc2)cc1 4072128 BDKQIPIBFJLOGL-UHFFFAOYSA-N 405.910 5.702 0 40 HKAB Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)C3CCCCC3)c(=O)[nH]c12 4230932 BZOQXYOCYHHQGE-UHFFFAOYSA-N 406.501 5.085 0 40 HKAB CCOc1ccc(-c2nc(NC(=O)COc3ccc(Cl)cc3)sc2C)cc1 4279323 NAOQPVNZXLZEOG-UHFFFAOYSA-N 402.903 5.188 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccc4c(c2)OCO4)N3)C1 4554745 XRRDFPBFBZMZRB-WZGQVBGCSA-N 424.566 5.788 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)c2c(-c3ccc(Cl)cc3)nn(C(=O)/C=C/c3ccccc3)c21 4671447 MIVRGYYYCUHJCD-UYRZDUHGSA-N 418.968 7.194 0 40 HKAB Cc1cccc(C)c1-n1nnnc1C1(N(N=O)c2ccc(Cl)cc2)CCCCC1 4772891 XUQIKKVZVLVRSP-UHFFFAOYSA-N 410.909 5.280 0 40 HKAB COc1ccc(-c2nnc(N(C(=O)c3cccc(Cl)c3)C3CCCC3)s2)cc1 4982589 PQMLNABKFDRGHD-UHFFFAOYSA-N 413.930 5.457 0 40 HKAB C[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)C(=O)c1ccc(C(C)(C)C)cc1 5018615 GUVQUKQXCGDXOO-CYBMUJFWSA-N 410.495 5.126 0 40 HKAB COc1ccc(-c2cnoc2-c2ccc(OCc3ccccc3C)cc2O)cc1OC 5428212 OZVBGYWVCJWFNM-UHFFFAOYSA-N 417.461 5.619 0 40 HKAB biogenic CC(=O)c1cccc(NC(=O)[C@H](Sc2nc3ccccc3[nH]2)c2ccccc2)c1 5628217 DDYBYSREGQQVKC-OAQYLSRUSA-N 401.491 5.238 0 40 HKAB CC(C)c1ccc2oc(-c3cccc(NC(=O)COc4ccccc4Cl)c3)nc2c1 6050085 QSGLVBXMZNGPJT-UHFFFAOYSA-N 420.896 6.289 0 40 HKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1C 6161552 NYYBNJRGKZEOGC-UHFFFAOYSA-N 420.365 5.708 0 40 HKAB COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4OC[C@H]32)cc1OC 6182307 WGKVWYHQRCSHQT-OSPHWJPCSA-N 403.503 5.680 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1Cl 6243016 IQZCZCMBEYADPT-YGNAEDSMSA-N 407.366 6.033 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CNCC1CCCCC1 6350321 RLGKVWFPXAMYGE-UHFFFAOYSA-N 414.571 5.009 0 40 HKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OC[C@@H]1COc2ccccc2O1 6602112 ZVIXMPSGZKLATB-IBGZPJMESA-N 411.457 5.207 0 40 HKAB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cc(Cl)ccc1Cl 6615722 RIOPCEVWTOMWCW-UHFFFAOYSA-N 408.354 5.111 0 40 HKAB Cc1nc(SCC(=O)N[C@@H](C)c2cc3ccccc3o2)n(C2CCCCC2)c1C 7029961 WDWKQRDKUQKWII-INIZCTEOSA-N 411.571 5.721 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)CSCc4ccccc4C)cc3)sc2c1 8186067 FKUAPWSYJNWHQY-UHFFFAOYSA-N 418.587 6.452 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1OC 8902919 USZDMMJAHTZUDS-UHFFFAOYSA-N 416.477 5.888 0 40 HKAB Cc1ccc2cc(CN(C(=O)c3ccc(C(C)(C)C)cc3)c3ccccc3)c(=O)[nH]c2c1 9075893 WALWWISQVGVDRS-UHFFFAOYSA-N 424.544 5.981 0 40 HKAB COc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2C)c1 9282100 CFPSGZZJEYFXJX-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc(F)c(F)c3F)s2)c1C 9507731 QRVATJATEMPYLH-UHFFFAOYSA-N 424.473 5.047 0 40 HKAB O=C(CCc1cccs1)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 10023983 RSOMRAAEOLHZDC-UHFFFAOYSA-N 408.523 6.308 0 40 HKAB CCn1ncc2c(C(=O)Nc3c(C)cccc3C(C)C)cc(-c3cccs3)nc21 11429132 GKFUANDWABMGSX-UHFFFAOYSA-N 404.539 5.864 0 40 HKAB CC(C)c1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1 12062550 CZKACEICKFSTQA-JOCHJYFZSA-N 401.934 5.050 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nc3cc(C)ccc3[nH]2)c2ccccc2)c1 12614796 QYQJKJITSGCLAJ-JOCHJYFZSA-N 401.535 5.960 0 40 HKAB aggregator C[C@@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)Nc1c(F)cccc1F 12891229 SPTBGUUXXDYUFM-MRVPVSSYSA-N 413.804 5.156 0 40 HKAB O=c1c([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)coc2ccc(F)cc12 13550647 GZIHAWSJLXDPJM-BWKNWUBXSA-N 412.420 5.174 0 40 HKAB Cc1cccc(N2C(=S)N=C(Nc3c(C)cccc3C)[C@@]23CCOC(C)(C)C3)c1 13774071 VXIZFBJYWYNFEU-DEOSSOPVSA-N 407.583 5.555 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc(C)c1Cl 14398330 AFOQVEZCUWDWCG-NSHDSACASA-N 406.231 6.035 0 40 HKAB COc1cc(C(=O)N[C@H](C)c2cc3ccccc3o2)ccc1OCc1c(C)noc1C 15040625 RJXJWTVWBPJDGB-OAHLLOKOSA-N 420.465 5.116 0 40 HKAB O=C(Cc1c(Cl)cccc1Cl)N1CCC[C@@H](c2nc3ccccc3s2)C1 15525506 QHNZNOVOZXBXQV-CYBMUJFWSA-N 405.350 5.552 0 40 HKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 17088765 UVACDYSYVAHPSU-UHFFFAOYSA-N 411.288 6.616 0 40 HKAB COc1ccc(/C=C/c2nnc(NC(=O)c3ccc(Cl)c(Cl)c3)s2)cc1 17206760 ZJDPVBNAKAZCKL-RUDMXATFSA-N 406.294 5.276 0 40 HKAB COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)/C=C/c1ccccc1 20611394 AJKGDDMWPOOWRP-MDZDMXLPSA-N 405.841 5.204 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1 22514254 BVVFJTXVCSJBNG-LOSJGSFVSA-N 405.538 5.909 0 40 HKAB O=C(/C=C/c1ccccc1Br)N1CCC[C@@H](c2nc3ccccc3o2)C1 27375840 TUSXBVGPCSWNBQ-LPQFERQCSA-N 411.299 5.010 0 40 HKAB CCCCN(C)C(=O)Cn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 27695311 FUBFYBSSMUAYBE-HXUWFJFHSA-N 405.586 5.645 0 40 HKAB Cc1ccc(-c2cc(C(=O)N3CCc4cc(-c5csc(C)n5)ccc43)on2)cc1 32911729 NSZRFNKHGLCLSY-UHFFFAOYSA-N 401.491 5.285 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 38867910 CGHGJNRXRSZLJH-LBGFUSKISA-N 414.674 7.729 0 40 HKAB COc1ccc(-c2nc(CS(=O)(=O)Cc3ccc(C(C)(C)C)cc3)cs2)cc1 40106189 PNRAOTZFQKFVJQ-UHFFFAOYSA-N 415.580 5.231 0 40 HKAB O=c1[nH]c(COCC(F)(F)F)nc2cc(-c3ccc(Cl)cc3Cl)sc12 53851089 VFIJWKWTZFKJSP-UHFFFAOYSA-N 409.216 5.037 0 40 HKAB Cc1nc(C)c([C@H](C)N[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)s1 56215036 LTOSBQYZIPUXTI-CBAPKCEASA-N 406.766 5.398 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N(C)Cc2cnn(-c3ccccc3)c2)c1 57293378 ATRAFPXKMIBIBL-AREMUKBSSA-N 424.548 5.301 0 40 HKAB Cc1ccc(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c(C)c1 57486336 QIIZIBIWJGYOED-UHFFFAOYSA-N 416.590 6.783 0 40 HKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CCC1 72215500 BIOQAEWGTWQNDG-SFHVURJKSA-N 417.550 5.448 0 40 HKAB O=C1N=C(Nc2ccc(OC(F)(F)F)cc2)/C(=C/c2ccc3nccnc3c2)S1 72400989 MRJWPWHKMZRIRU-YBEGLDIGSA-N 416.384 5.247 0 40 HKAB O=C(c1cnc(-c2ccsc2)s1)N1CCCCC[C@H]1C[C@H](O)c1cccs1 79066530 ZXPDDHFMGLRFLX-HOTGVXAUSA-N 418.609 5.442 0 40 HKAB Cc1c(NCC(C)(C)C)cccc1C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 95996118 DHYMQSYMVRHYQE-UHFFFAOYSA-N 422.495 5.146 0 40 HKAB Fc1ccc([C@H]2C=C(c3ccccc3)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 100900603 PSDBGOMFXKCACQ-OAQYLSRUSA-N 402.860 5.794 0 40 HKAB C[C@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118917511 XYNPYHXGMWJBLV-OFMODGJOSA-N 415.662 5.367 0 40 HKAB in-man C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4C[C@H](O)[C@]3(C)[C@H]1[C@@H]2C 123215036 ZOOSXBKBOJXIDR-STVGNJDFSA-N 416.646 5.794 0 40 HKAB Cc1cc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1Cl 218937684 YYMSEYGBZYEOSQ-UHFFFAOYSA-N 402.277 6.112 0 40 HKAB CCCc1ccc(OCCNC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)cc1 223428924 WGEVSVVVDQQRKU-LHLOQNFPSA-N 415.533 5.384 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1ccccc1 224087092 PIASZOTVHXFIAI-UHFFFAOYSA-N 402.277 5.833 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2ccccc2OC)c1 224240120 ZXXJTCUFYMWLBN-UHFFFAOYSA-N 405.494 5.406 0 40 HKAB Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 224859265 UKDMQADRSHYFHY-IRXDYDNUSA-N 422.362 5.333 0 40 HKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1 225748108 QCJDZRSJAYHWLA-JOCHJYFZSA-N 413.986 5.848 0 40 HKAB Cc1ccc(C2(NC(=S)Nc3ccc(C(=O)N4CCCCC4)cc3)CCCC2)cc1 225870845 YRDIQDANIIVSSR-UHFFFAOYSA-N 421.610 5.377 0 40 HKAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cc1C(F)(F)F 408597927 WPNYAHTXSNYLSL-UHFFFAOYSA-N 414.232 5.212 0 40 HKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(OC(C)C)cc4)ccc3o2)c1 408624514 XOBYUTAOGVSMNC-UHFFFAOYSA-N 400.478 6.151 0 40 HKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccccc2)nc1-c1ccc(F)cc1 408696810 CBRHBENICCPYFW-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccccc2Cl)C1=O 408801370 AHOCJSIWSYVHOA-AWKYKOFISA-N 411.978 6.394 0 40 HKAB COc1ccc(CC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1OC 408907019 FYBXBYZBYZXTHG-UHFFFAOYSA-N 407.535 5.486 0 40 HKAB O=C(Oc1ccc(Cl)cc1)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408978231 LTGRAWZCECWWNJ-UHFFFAOYSA-N 414.852 5.493 0 40 HKAB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(-c2ccccc2)cc1 409003689 UFPHVDAXFXEFKH-UHFFFAOYSA-N 420.512 5.240 0 40 HKAB CCOC(=O)c1c(NC(=O)/C(=C/c2ccco2)c2ccccc2)sc2c1CCCC2 409113910 ORIYUNOTDRSLKG-XDJHFCHBSA-N 421.518 5.576 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1C 409115835 LCNLCMIFMCRSNP-UHFFFAOYSA-N 420.767 7.455 0 40 HKAB O=C(CC[C@@H](O)c1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 409194921 FVXUTQDJHWWPPB-OAQYLSRUSA-N 414.530 5.929 0 40 HKAB O=C1S/C(=C/c2cc(Br)ccc2O)C(=O)N1c1cccc(Cl)c1 409202240 QRBNOSFHNMKXIH-VGOFMYFVSA-N 410.676 5.049 0 40 HKAB CC(C)n1c(S[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)nnc1N(C)C 504495345 CXTOPEZJACFIKG-MRXNPFEDSA-N 409.559 5.031 0 40 HKAB CC[C@H](CC(=O)N1CCCC[C@@H]1c1ncc(-c2ccccc2)[nH]1)c1ccc(OC)cc1 507282684 PIQLJHXCEBWIMR-NTKDMRAZSA-N 417.553 5.723 0 40 HKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C)c(C)c4)sc3n2)c1 661197 UHBPZGWCSBHTSR-UHFFFAOYSA-N 403.507 5.423 0 40 HKAB CC(C)OC(=O)COc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1 719529 GZUXBFXXSRFOOT-UHFFFAOYSA-N 404.418 5.069 0 40 HKAB biogenic CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccnc4)c3)nc2c1 1266070 FLZDWTQPAHIWLJ-CQSZACIVSA-N 405.885 6.309 0 40 HKAB Cc1nc2sc(C(=O)Nc3ccc(Br)cc3)c(N)c2c2c1CCCC2 1300698 PJMMPEJAVXSTGU-UHFFFAOYSA-N 416.344 5.081 0 40 HKAB Cc1c(C(=O)c2ccc(F)cc2)oc2c(Br)cc(Br)cc12 1385002 JUBQBNXOCKZFDE-UHFFFAOYSA-N 412.052 5.636 0 40 HKAB CC(C)N(C(=O)CSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)C(C)C 1732734 GFKAVQDPUZUORB-UHFFFAOYSA-N 423.620 6.691 0 40 HKAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc(Cl)c(Cl)c1)CO3 1772422 GSPGMVNBVDGFOM-UHFFFAOYSA-N 424.283 6.123 0 40 HKAB biogenic O=C(CSc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc(Cl)cc1 1915564 SQKANQGGUKAQGI-UHFFFAOYSA-N 414.914 6.126 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccccc2OCC)sc2c1CCCCCC2 2086745 OQHDSRAXEDGOQG-UHFFFAOYSA-N 401.528 5.235 0 40 HKAB CCn1c(NC(=O)c2ccccc2F)c(-c2ccc(OC)cc2)c(=O)c2ccccc21 2217694 RULLWTALWWKDNC-UHFFFAOYSA-N 416.452 5.088 0 40 HKAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(SCc4ccccc4)c23)CO1 2235835 ACWFKHQWWZNZNQ-HXUWFJFHSA-N 402.610 5.947 0 40 HKAB CCCCCCc1cc2c(=O)c(-c3ccccc3)coc2cc1OCc1ccccc1 2235983 ZJKPOBCBBSDPJK-UHFFFAOYSA-N 412.529 7.162 0 40 HKAB Cc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 2368197 OOGQUEYEKBBQFX-HSZRJFAPSA-N 410.473 5.171 0 40 HKAB CC[C@@H](C)COC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 2388276 LSNKIWHEOLASFC-MRXNPFEDSA-N 416.525 5.482 0 40 HKAB Cc1ccccc1OCc1nc2c3c(ncn2n1)-c1ccccc1CC31CCCCC1 2394121 ANLVOEYWTMJLJW-UHFFFAOYSA-N 410.521 5.437 0 40 HKAB CN(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)nc2sc3c(c12)CCC3 2628550 PIKDQOGPOVJVPM-UHFFFAOYSA-N 405.954 6.137 0 40 HKAB Cc1ccccc1-c1cc(C(=O)N2CCN(c3ccccc3)CC2)c2ccccc2n1 2749828 HEMYBPPICOQASR-UHFFFAOYSA-N 407.517 5.173 0 40 HKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NCc1ccccc1 2998668 LCYFUYZOKXSGLY-DTQAZKPQSA-N 413.908 5.522 0 40 HKAB Cc1ccc(C(=O)c2sc3nc4c(c(-c5ccc(C)o5)c3c2N)CCCC4)cc1 3014120 SYTNPIMECPEKLQ-UHFFFAOYSA-N 402.519 5.865 0 40 HKAB O=C(Nc1nc2ccccc2s1)N[C@@H](Oc1ccccc1)C(Cl)(Cl)Cl 3165236 XKSXPADHFPFQKW-ZDUSSCGKSA-N 416.717 5.193 0 40 HKAB CCCn1cc(SCC(=O)Nc2ccc(Br)cc2)c2ccccc21 3581944 ITIUVASGFZXWQM-UHFFFAOYSA-N 403.345 5.545 0 40 HKAB CCCCOc1cccc(C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)c1 3655560 OTWVPXBTVMDJCG-UHFFFAOYSA-N 413.473 6.095 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1 4150501 KEGPPUNSSCJWRX-UHFFFAOYSA-N 420.896 6.579 0 40 HKAB COc1ccc2nc(N(Cc3ccccn3)C(=O)/C=C/c3cccs3)sc2c1 5265123 ALCKHQXDDLUVRR-CSKARUKUSA-N 407.520 5.008 0 40 HKAB Cc1cccc(C(=O)N[C@H](C)c2nc3ccccc3n2Cc2ccccc2Cl)c1 5545761 IMYICPNYWCSHCP-QGZVFWFLSA-N 403.913 5.537 0 40 HKAB O=C(c1ccc(F)cc1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 5734442 NKELGKZCMVRODQ-XHXKQQPTSA-N 410.492 6.263 0 40 HKAB COc1cccc(N2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)CC2)c1 5930577 XTAMEOZGKZOAFS-UHFFFAOYSA-N 419.550 5.007 0 40 HKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c(C)c4)cc3n2)cc1 6264757 MYGRBPBUDGTKCZ-UHFFFAOYSA-N 412.537 5.941 0 40 HKAB Fc1ccc(-c2sc(Nc3ccc(Br)cc3)nc2C(F)(F)F)cc1 6444994 DSGOZZSVEFVZLH-UHFFFAOYSA-N 417.225 6.474 0 40 HKAB Cc1ccc(C(=O)c2cc(C(=O)OCc3cccc(Cl)c3)c3ccccn23)c(C)c1 6817119 YSRZLXBVYKTGOX-UHFFFAOYSA-N 417.892 5.798 0 40 HKAB Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCc2c(Cl)cccc2Cl)n1 6935315 WRUSNSRINGPVEF-UHFFFAOYSA-N 417.361 6.550 0 40 HKAB CCc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 6942789 ILACCRLKBPOBAC-UHFFFAOYSA-N 424.928 5.541 0 40 HKAB CCc1ccc2c(CC(=O)Nc3nc(-c4ccc(NC(C)=O)cc4)cs3)coc2c1 7007861 XFAGBCVEOPTYBC-UHFFFAOYSA-N 419.506 5.258 0 40 HKAB CC(=O)Nc1cccc(N[C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)c1 7224484 QVPRBLFQGUVUNW-QFIPXVFZSA-N 407.901 5.399 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccccc4)cc3)nc2c1 8196614 HSWNKUPDPNDFMI-QGZVFWFLSA-N 400.478 6.026 0 40 HKAB O=C(O)/C=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 8377079 YYBZWRHYAPZNEH-QHHAFSJGSA-N 402.071 5.433 0 40 HKAB O=C(NCCSc1c(-c2ccc(F)cc2)[nH]c2ccccc12)c1ccccc1Cl 8923972 LZPQKSFAHRVBHT-UHFFFAOYSA-N 424.928 6.150 0 40 HKAB COc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccc(F)cc3)c2c1 9838588 DCRQBFCRAMQTGF-UHFFFAOYSA-N 422.481 5.267 0 40 HKAB CCCC(=O)N1CCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 12181206 AGCGPRQLXTUWCC-SQWLQELKSA-N 412.481 5.069 0 40 HKAB Cc1ccc(C)c(CN2[C@@H](c3ccccc3Cl)Nc3ccccc3S2(=O)=O)c1 12414849 VTBTWRMQVLGLLL-QFIPXVFZSA-N 412.942 5.272 0 40 HKAB CCCc1noc([C@@H](C)Sc2nnc(-c3cccc(OC)c3)n2-c2ccccc2)n1 12522052 NZJLUGMHHSAWSJ-OAHLLOKOSA-N 421.526 5.132 0 40 HKAB Cc1nc(C2CC2)nc2sc(C(=O)N(C)[C@@H](C)c3cc4ccccc4o3)c(C)c12 12941625 XKARROFNTWQDDF-AWEZNQCLSA-N 405.523 5.765 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 13134573 MGSGUEMDOOCBGE-UHFFFAOYSA-N 424.529 5.699 0 40 HKAB COc1ccc(-c2nn(Cc3cccc(C)c3)c(-c3ccc(OC)cc3)c2Cl)cc1 13960514 WPDUTGADHBUFAH-UHFFFAOYSA-N 418.924 6.244 0 40 HKAB O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1cccc2ccccc12 14132000 FOJDNRYLLXHGMB-VXLYETTFSA-N 414.313 6.383 0 40 HKAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1cc(Cl)sc1Cl 14181093 QWPTXWBKQYNVDN-UHFFFAOYSA-N 424.378 5.547 0 40 HKAB Cc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c(C)noc2n1 14181876 QURWMWFWNUCYBI-UHFFFAOYSA-N 403.282 5.130 0 40 HKAB O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnc(-c2ccccc2F)o1)c1ccccc1 14241413 DXPUXKMFXGNANL-IBGZPJMESA-N 423.444 5.487 0 40 HKAB O=C(O)c1ccc(CNCc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 16399627 XZIQUMGHKWQCJG-UHFFFAOYSA-N 416.304 5.560 0 40 HKAB CCOc1ccccc1N(CC(=O)c1ccc(Cl)cc1Cl)C1=NCCCS1 16768830 FOKPVVVFOCMTOA-UHFFFAOYSA-N 423.365 5.574 0 40 HKAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C[C@H]4CCCCO4)C3)c(-c3ccncc3)c2c1 19220220 PLPXYOWVHZBPFZ-LEWJYISDSA-N 417.553 5.204 0 40 HKAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1c1n[nH]cc1-c1ccncc1 19292816 KFVOVDWTJKAZAQ-LJQANCHMSA-N 415.324 5.075 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 19691456 RUNWVTXAYSMPQB-RUZDIDTESA-N 413.496 5.584 0 40 HKAB COc1ccc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1-c1ccc(CO)o1 20142557 DOGCTNUIDPJSBX-UHFFFAOYSA-N 422.264 5.015 0 40 HKAB COc1cc(NC(=O)c2sc(N(C)c3ccccc3)nc2C)c(OC)cc1Cl 22245523 VBDMDYRNFMPHJO-UHFFFAOYSA-N 417.918 5.142 0 40 HKAB Cc1ccc2c(C)c(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)oc2c1 28290333 LFFGQHJSWSNQPE-HSZRJFAPSA-N 418.581 5.914 0 40 HKAB CCOc1cc(C(=O)N2CCC[C@H]2c2ccncc2)cc(-c2ccccc2)c1OC 32320754 FJFYQNPXSBCRBU-QFIPXVFZSA-N 402.494 5.133 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 33806967 SJFFHXIOBXTEDR-UHFFFAOYSA-N 418.537 5.640 0 40 HKAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(Cl)cc4)c3)nn12 35400724 LDLQOMPQBWCQTQ-YRNVUSSQSA-N 423.929 5.029 0 40 HKAB O=C(NCCSCc1ccsc1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 36396867 HYQSGVULCLPJAC-SJORKVTESA-N 414.621 5.457 0 40 HKAB Cc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c(-c3ccc(C)cc3)c2C)cc1 36611614 OSXARJPMCGFHMN-UHFFFAOYSA-N 421.371 7.497 0 40 HKAB COc1c(Br)cc(CNc2cc(Cl)ccc2C)cc1Br 37184693 JQNYUJJDWQEWSV-UHFFFAOYSA-N 419.544 5.794 0 40 HKAB CC(=O)Nc1ccc(NC(=O)CCCCc2ccc(Br)cc2)cc1Cl 40132361 WGLYRYSOFFESQT-UHFFFAOYSA-N 423.738 5.412 0 40 HKAB CC[C@@H](Oc1ccccc1C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 44885172 QLUPHPMSZUTSIA-GOSISDBHSA-N 412.382 5.509 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078453 SMOJZUZGEVXHCG-UHFFFAOYSA-N 424.422 5.551 0 40 HKAB COc1ccc(N(Cc2ccc(C(C)C)cc2)C(=O)CCc2c(C)nn(C)c2C)cc1 58476031 JQHUWGWWSBERMK-UHFFFAOYSA-N 419.569 5.335 0 40 HKAB Cc1cc(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc(-c2ccc(F)cc2)n1 67257070 FLCKSUISGISULO-UHFFFAOYSA-N 421.419 5.341 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cc(Cl)ccc3C)oc12 67293627 ZIVNBSLYNSCVIC-RWEWTDSWSA-N 419.868 5.283 0 40 HKAB Cc1nc(/C=C/C(=O)Nc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cs1 84271944 NYHXKHQCFZUPBZ-QPJJXVBHSA-N 406.294 5.598 0 40 HKAB Cc1nc(-c2cccs2)sc1CNC(=O)CSc1nc2ccccc2s1 90592697 CVPCWVUZZXWMIC-UHFFFAOYSA-N 417.606 5.198 0 40 HKAB CCc1ccc(C2=C[C@H](c3c(F)cccc3Cl)n3c(nc4ccccc43)N2)cc1 101642219 OUZHDVSWCTVUDX-JOCHJYFZSA-N 403.888 6.447 0 40 HKAB aggregator COc1ccc(-c2csc(C3=C(O)CN([C@@H]4CCCc5ccccc54)C3=N)n2)cc1 102720492 JWKYZGHVUVLWBH-HXUWFJFHSA-N 417.534 5.458 0 40 HKAB COc1ccccc1CCC1CCN(C(=O)c2c(C)c3cc(Cl)ccc3n2C)CC1 141594851 SUVKUQZEXXSFHM-UHFFFAOYSA-N 424.972 5.634 0 40 HKAB O=C(CCCSc1ccc(Cl)cc1)NCCCN1CCCc2ccccc21 222697838 PPMDWGXDQMPAOJ-UHFFFAOYSA-N 402.991 5.171 0 40 HKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 223394203 XDJHIOMKOJRSMH-JWQCQUIFSA-N 424.573 5.353 0 40 HKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 224365083 RLBQBXFQZMGXRP-QGZVFWFLSA-N 421.924 6.417 0 40 HKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C(C)C)c1C 224563463 ZWUJMLJRNSLHHF-GOTSBHOMSA-N 420.582 5.267 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COCc1ccccc1 224745108 UJYVFCYDCHQSIW-UHFFFAOYSA-N 409.913 5.386 0 40 HKAB CC[C@@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc(OC)c(C)c1 225309217 MRFNQIPVKBWPEQ-XMMPIXPASA-N 419.590 6.485 0 40 HKAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccc(F)cc2)CCCC1 225519984 GMNNEVZEMHSPQH-UHFFFAOYSA-N 410.533 5.141 0 40 HKAB CCOCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cn1 225863956 HLSDCZWZRAWYRL-UHFFFAOYSA-N 423.340 5.254 0 40 HKAB CCOc1ccc(NC(=O)C(Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1 225936005 ROFKJYAEWDOCRL-UHFFFAOYSA-N 421.540 6.253 0 40 HKAB COCCCCCC(=O)Oc1cc(Cl)ccc1Cc1ccc(Cl)cc1Cl 247889729 STGTZQSKEOTTBO-UHFFFAOYSA-N 415.744 6.350 0 40 HKAB CCCCn1nc(-c2cc(C(=O)O)ccc2OCC)cc1-c1ccccc1OCC 257269529 MQJGUCUWTLJZDG-UHFFFAOYSA-N 408.498 5.513 0 40 HKAB Fc1ccc(CNC(=S)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 408574657 MDUUEGJFUCVIFK-UHFFFAOYSA-N 420.336 6.177 0 40 HKAB O=C1S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1CCc1ccccc1 408601256 JJMGHUDWNNZXDY-DEDYPNTBSA-N 411.429 5.504 0 40 HKAB CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(C)c3)n2)cc1 408695392 QITSWPAGXSBAAC-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB CCOc1ccc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 408971051 GJYURMFFCIAQGY-UHFFFAOYSA-N 400.714 6.513 0 40 HKAB CN(C(=S)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)c1ccccc1 408975973 DGEYDKIKXFDWQZ-UHFFFAOYSA-N 424.533 5.453 0 40 HKAB CCCc1sc2nc(SCc3ccccc3)n(-c3cccc(C)c3)c(=O)c2c1C 409114773 LCEQMRZKBWHQOB-UHFFFAOYSA-N 420.603 6.309 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 409136547 VASNAOJOLFEOAU-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)o1 409150612 CXSHZKIOYDCJCG-UHFFFAOYSA-N 419.506 5.149 0 40 HKAB CSc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 409410709 OQVXCABGVHASJK-UHFFFAOYSA-N 405.928 5.655 0 40 HKAB CCc1cc(C(=O)Nc2nc3c(s2)C[C@H](C(C)(C)C)CC3)sc1-c1ccccc1 585152222 BMBSQKRFBBLGOM-QGZVFWFLSA-N 424.635 6.837 0 40 HKAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 2037845613 FCLGSFZEDMWNFZ-INIZCTEOSA-N 421.447 5.045 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc(C)c1Cl 669532 XUSOFASRCLGDND-UHFFFAOYSA-N 406.869 5.783 0 40 HKAB O=C1c2ccccc2C(=O)N1c1ccc2nc(SCc3cccc(F)c3)sc2c1 693185 LLAQMSKJQQLWJX-UHFFFAOYSA-N 420.490 5.528 0 40 HKAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 842044 ZPBGXHOHNJUREA-LIKPIUCQSA-N 419.402 5.102 0 40 HKAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc(Cl)cc1 858844 NDOFHSBTIYWOHB-UHFFFAOYSA-N 415.898 5.506 0 40 HKAB Cc1ccnc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 1006300 KKZNXBAOZJTXCA-UHFFFAOYSA-N 400.265 5.201 0 40 HKAB Cc1cccc(-c2cc3nc4c(c(NCCc5ccc(F)cc5)n3n2)CCCC4)c1 1341590 BJLPTMGCWRVZEZ-UHFFFAOYSA-N 400.501 5.377 0 40 HKAB C1=C(c2ccccc2)N=C(c2nccc3ccccc23)C1(c1ccccc1)c1ccccc1 1705893 HVUXMQFLQSOOBU-UHFFFAOYSA-N 422.531 7.065 0 40 HKAB CCOC(=O)c1c(C)n(-c2ccc(N(CC)CC)cc2)c2c1cc(O)c1ccccc12 1808431 WEHYXLNETGENJT-UHFFFAOYSA-N 416.521 5.821 0 40 HKAB COc1ccc(-c2csc3ncn(Cc4ccc(Cl)cc4Cl)c(=O)c23)cc1 1965557 WOLUDUQBPFYRDL-UHFFFAOYSA-N 417.317 5.489 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)cc1 2346463 HLIKBPPHGKLHAF-UHFFFAOYSA-N 423.925 5.523 0 40 HKAB O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 2414131 HPMQZXZPTUMNNK-UHFFFAOYSA-N 400.217 5.612 0 40 HKAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 2723112 YXLQCYMBRBFZAY-UHFFFAOYSA-N 406.338 5.527 0 40 HKAB O=C(Cc1ccccc1)c1ccc(Oc2ccc(C(=O)Cc3ccccc3)cc2)cc1 3139470 PPXFJRGFGMRFLQ-UHFFFAOYSA-N 406.481 6.330 0 40 HKAB C[C@H]1CCCC[C@@H]1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 3290385 OQPQGIWVJZUOGT-CABZTGNLSA-N 401.384 5.391 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 3330876 QQBFQKGBACXVCB-UHFFFAOYSA-N 409.913 6.582 0 40 HKAB CN1CCCC[C@@H]1CCSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 3340026 MUYSSYKBEFBWBP-LJQANCHMSA-N 412.990 5.554 0 40 HKAB CN(CCOc1ccc(Cl)cc1)CC(=O)Nc1ccccc1Oc1ccccc1 3416805 SNFILVAKFNVYAM-UHFFFAOYSA-N 410.901 5.082 0 40 HKAB Nc1nc(Oc2cccc(C(F)(F)F)c2)cc(Oc2cccc(C(F)(F)F)c2)n1 4106442 ALOMRSYDKLWNMM-UHFFFAOYSA-N 415.293 5.681 0 40 HKAB O=C(Nc1ccc(Br)cc1Br)C12CC3CC(CC(C3)C1)C2 4144563 VZFICAOHYZMSDQ-UHFFFAOYSA-N 413.153 5.367 0 40 HKAB CSc1ccc(-c2nc3ccc(Br)cn3c2NC2CCCCC2)cc1 4733567 MALOUXMRDZCJNP-UHFFFAOYSA-N 416.388 6.230 0 40 HKAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 4880565 FFWWREJXNFZWDW-UHFFFAOYSA-N 406.873 5.109 0 40 HKAB Cc1[nH]c2ccccc2c1[C@@H]1[C@H](CCNC(=O)c2ccc(Cl)cc2Cl)C1(C)C 5274532 YKJXQGJNRWZOPV-UWJYYQICSA-N 415.364 6.343 0 40 HKAB C[C@@]1(Br)C(=O)CC[C@H]2[C@@H]1CC[C@]1(C)[C@@H](OC(=O)c3ccccc3)CC[C@@H]21 5276764 HKZMXCLHDQFECZ-SSKLZZQGSA-N 419.359 5.171 0 40 HKAB Cc1ccc(C(=O)Oc2ccc(Br)cc2C(=S)N2CCCCC2)cc1 5543756 NMMVZLBIIDUZFL-UHFFFAOYSA-N 418.356 5.138 0 40 HKAB COc1ccc([C@H]2OC[C@@]3(COC(=O)c4ccccc4)[C@@H](C)[C@@H]2C(C)=C[C@H]3C)cc1 5721880 VGRINMHUNLQXBU-MRFIEBOFSA-N 406.522 5.458 0 40 HKAB C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O 6036380 WVXOMPRLWLXFAP-KQOPCUSDSA-N 416.646 6.453 0 40 HKAB endogenous,in-man C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 6111334 TZZZQWHOPMVDIY-HDPALTEOSA-N 421.912 5.242 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1OCC 6261124 KOIYFCLPKMNSHT-UHFFFAOYSA-N 405.494 6.227 0 40 HKAB O=C(C(=O)N1CCc2ccccc21)c1cn(Cc2ccccc2Cl)c2ccccc12 6659301 MGJHQVCVUUONCO-UHFFFAOYSA-N 414.892 5.115 0 40 HKAB Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccccc3Cl)cc1)S[C@@H](C)C(=O)N2 6678735 IPRWWYKLQATODP-ORAYPTAESA-N 413.930 5.114 0 40 HKAB CCc1cccc(CC)c1NC(=O)CSc1nnc(Nc2ccccc2C)s1 6788662 YEFOYSKWEKPXIN-UHFFFAOYSA-N 412.584 5.446 0 40 HKAB CC(C)(C)CC(C)(C)NCc1cc(Br)ccc1OCc1ccc(F)cc1 6857357 MVTZQCAFLKPBAZ-UHFFFAOYSA-N 422.382 6.472 0 40 HKAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccccc1-c1nc2ccccc2s1 6890555 XORDBTVALOEZNS-UHFFFAOYSA-N 412.470 5.484 0 40 HKAB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C2=O)c1 6967224 AHZOMYWYYGSUFF-FYJGNVAPSA-N 419.912 5.149 0 40 HKAB C[C@H](Oc1ccccc1F)c1nnc(SCc2ccc(-c3ccccc3)cc2)o1 7138211 LKEJOIRYLTZEQJ-INIZCTEOSA-N 406.482 6.308 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccccc1Cl 7542536 GTZMNSHBFGCMSK-GOSISDBHSA-N 401.897 5.259 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c(C)c1 8041453 MAKSFZCGGSDMIS-VQTJNVASSA-N 416.521 5.200 0 40 HKAB Clc1ccc(-c2nnc(CN3CCC(c4nc5ccccc5s4)CC3)o2)cc1 8201396 FLCXAYSUNGVHII-UHFFFAOYSA-N 410.930 5.379 0 40 HKAB COc1ccc(-n2c(SCc3ccccc3C)nc3ccccc3c2=O)cc1OC 8283104 ULDOZDSOLFOSDA-UHFFFAOYSA-N 418.518 5.004 0 40 HKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(OCc2cscn2)cc1 8325660 STVUZEZQOBAAEQ-UHFFFAOYSA-N 408.479 5.016 0 40 HKAB COc1cc(C)c(C[C@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1C(C)C 8333852 ZGZAOAHYURTXSU-LJQANCHMSA-N 403.931 5.592 0 40 HKAB C[C@@H](NC(=O)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1)c1ccccc1 8470851 TZNGBEUIRZITCZ-OAQYLSRUSA-N 420.512 6.156 0 40 HKAB Cc1nn2c3c(cnc2c1-c1ccc(F)cc1)C(=O)C[C@H](c1ccc(C(C)C)cc1)C3 8559450 DLVVPFVQBDAVRD-HXUWFJFHSA-N 413.496 5.880 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](Sc1ccccn1)c1ccccc1 8648809 CLQIMBYFGRAYBR-GOSISDBHSA-N 422.859 6.226 0 40 HKAB FC(F)(F)c1cc(Cl)c2nc(-c3ccc4c(c3)OCO4)c(Br)n2c1 8855412 PZCOFRUOBRFAQE-UHFFFAOYSA-N 419.584 5.165 0 40 HKAB CCOc1c(Br)cc(C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC 8983321 XCLWSSLFDCCCBX-UHFFFAOYSA-N 412.711 5.379 0 40 HKAB CC1=C(C)[C@H](c2c(-c3ccc(F)cc3)n(C)c3ccccc23)N(C[C@H]2CCCO2)C1=O 9095169 RRGUPCGBHLLZEV-HYBUGGRVSA-N 418.512 5.383 0 40 HKAB COc1ccc(CNC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 9417173 HYIXVYWGTFTRJS-UHFFFAOYSA-N 404.491 5.059 0 40 HKAB COc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1 9970846 OJJKSKYMCYLTBS-UHFFFAOYSA-N 420.943 5.212 0 40 HKAB COc1cccc(Oc2c(C)oc3cc(OCc4cccc(Cl)c4)ccc3c2=O)c1 11865237 PWDXLFLXKXOQJG-UHFFFAOYSA-N 422.864 6.135 0 40 HKAB biogenic O=C1Nc2ccccc2/C1=C/c1cc(Br)ccc1OCc1ccccc1F 12468879 MYDDVGCNMWNAOM-PDGQHHTCSA-N 424.269 5.660 0 40 HKAB Cc1oc(-c2ccccc2)nc1CSc1nc(C(F)(F)F)nc2ccccc12 12479907 YIAILKPYLSXMRQ-UHFFFAOYSA-N 401.413 5.904 0 40 HKAB COc1ccc(C2=C[C@H](c3ccccc3)[C@@H]3CCCC[C@@]34Oc3ccccc3N24)cc1 12656894 HGGPYRPVMWSYOB-FMGHJNRGSA-N 409.529 6.619 0 40 HKAB biogenic Cc1cc(CSc2ncccc2C(=O)Nc2ccccc2Cc2ccccc2)no1 12788049 BWFOGFJUPSRUJF-UHFFFAOYSA-N 415.518 5.513 0 40 HKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 14665242 LYGINZROCQJEKS-NSHDSACASA-N 400.733 6.350 0 40 HKAB O=C(Oc1ccccc1-c1ccccc1)c1cccc(OCCOc2ccccc2)c1 14780831 UNBHMRGLRVOUOJ-UHFFFAOYSA-N 410.469 6.031 0 40 HKAB CN(CC(=O)Nc1cccc2ccccc12)c1ncnc2sc(-c3ccccc3)cc12 15346246 LUJWEDQDLOJTSC-UHFFFAOYSA-N 424.529 5.586 0 40 HKAB Fc1ccccc1COc1ccc(Br)cc1CNCc1ccccc1 16480114 CCQZZXFPAXBHIJ-UHFFFAOYSA-N 400.291 5.457 0 40 HKAB O=C(c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1)N1CCCCCC1 17082015 YFAASMLOCZFWHP-UHFFFAOYSA-N 400.526 5.192 0 40 HKAB COc1ccc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 17094164 YBMYWIQHZOENSE-UHFFFAOYSA-N 424.909 5.643 0 40 HKAB Cc1cccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1C 20050741 QTEIUILQYRTJKO-OAHLLOKOSA-N 412.382 5.427 0 40 HKAB Cc1cc(NC(=S)NC(=O)c2cccc3ccccc23)ccc1-c1ccc(CO)o1 20152238 POBLUVQMTGKFGR-UHFFFAOYSA-N 416.502 5.027 0 40 HKAB Cc1ccc(-c2cc(C(=O)N(Cc3cccc(F)c3)Cc3ccco3)no2)cc1C 21524260 WYPHRZMDTQBNJT-UHFFFAOYSA-N 404.441 5.533 0 40 HKAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCOc1cc(C)ccc1C 21787239 LPIQTVQQBCOQHC-JOCHJYFZSA-N 405.542 5.196 0 40 HKAB CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccsc2)N2CCc3ccccc3C2)cc1 22766007 JUMYVZFBQVUZJH-DEOSSOPVSA-N 420.578 5.065 0 40 HKAB COc1ccc(OC)c(NC(=O)c2sc3cc(C(C)(C)C)ccc3c2Cl)c1 26688029 KOGWMULGSJZUIX-UHFFFAOYSA-N 403.931 6.122 0 40 HKAB O=C(N(Cc1cccs1)c1cccc(C(F)(F)F)c1)C12CC3CC(CC(C3)C1)C2 27989740 FUVIBXHGGCHEKJ-UHFFFAOYSA-N 419.512 6.517 0 40 HKAB O=C(O)c1ccc(CNCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 28428218 WVVBORVCKZXHIO-UHFFFAOYSA-N 416.304 5.560 0 40 HKAB CC(=O)c1cccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)c1 35040582 NIDWBXAVWZDZPH-CXUHLZMHSA-N 408.331 5.602 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(-c2cccc3ccccc23)[nH]n1 44838318 IUARDRVYPBSNRX-UHFFFAOYSA-N 415.802 6.154 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1C 44856373 DACORYALTVBINE-QGZVFWFLSA-N 402.941 5.185 0 40 HKAB COc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccc(C)cc23)c(OC)c1 48987686 ZEMJQFSJCZOQAP-UHFFFAOYSA-N 419.525 5.176 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(C)cc(C)c1 49005026 QEYNHWPDJXOELK-FQEVSTJZSA-N 402.542 5.703 0 40 HKAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(Cl)cc1)OCN(Cc1cccnc1)C3 54313318 VMHZAUUMNZIRQD-UHFFFAOYSA-N 418.880 5.169 0 40 HKAB biogenic Cc1cccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)o2)c1 59179495 IBEYHFZJKBXTNC-UHFFFAOYSA-N 411.527 5.120 0 40 HKAB COc1ccc(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)cc(OC)c3c2)cc1 65033917 FVGABRZENSSLOM-UHFFFAOYSA-N 402.425 5.310 0 40 HKAB O=C(Nc1ccccc1)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F 95956832 YKXMSTJMAPZXBG-NRFANRHFSA-N 414.427 5.473 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3cn(Cc4ccccc4)cn3)n3ccccc23)cc1 96037940 HEXFULYRNFCPBC-UHFFFAOYSA-N 421.504 5.061 0 40 HKAB Fc1ccccc1[C@@H]1C=C(c2cccc(Br)c2)Nc2nc3ccccc3n21 101100310 PMHGNAPKDXXCTO-NRFANRHFSA-N 420.285 5.994 0 40 HKAB Cc1noc2c1[C@@H](c1cccc(Cl)c1)C1=C(O)C[C@@H](c3ccc(O)cc3)CC1=N2 102729274 SADJGWZFRWOEBL-YCRPNKLZSA-N 406.869 5.950 0 40 HKAB CO[C@@H](C)c1nc(CN(C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)cs1 108155847 YLCJPWMFEHLYTB-SJORKVTESA-N 406.555 5.382 0 40 HKAB COc1ccc(OC)c(-c2c(C(C)C)cc(C(C)C)cc2C(C)C)c1Br 202044406 MPAYZJCEJZADBQ-UHFFFAOYSA-N 419.403 7.504 0 40 HKAB C[C@H](NC(=O)c1ccccc1NC(=O)CSCc1ccc(F)cc1)c1ccccc1 216362149 SNBMFXFPSBVCRI-KRWDZBQOSA-N 422.525 5.189 0 40 HKAB Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223376749 KAAQXMXSFFXLCP-RPBOFIJWSA-N 424.573 5.353 0 40 HKAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccccc1Cl 224139359 LWLNGNFIIMKZIZ-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccccc1C(C)(C)C 224169133 KPKSTEIJYVWFEU-UHFFFAOYSA-N 423.940 6.477 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)cc1 224210229 AZJQYFSTAVCIDJ-LOSJGSFVSA-N 424.573 5.666 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccc(Cl)cc1 224506225 OYWFPBCRXLHOCO-UHFFFAOYSA-N 413.876 5.387 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224885776 RTIKBMIBXMJTIL-UHFFFAOYSA-N 419.706 5.637 0 40 HKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225022135 UTDUZXFATDPHBI-DHIUTWEWSA-N 402.567 5.096 0 40 HKAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)s1 225334898 TWDZDUZDNAEBQT-LEWJYISDSA-N 409.580 5.416 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3csc(-c4ccncc4)n3)cc2)c1 225336371 CZDFMIBNOXQZKY-UHFFFAOYSA-N 417.490 5.142 0 40 HKAB O=C(Nc1ccc(OCCCN2CCCCCC2)cc1)C1(c2ccccc2)CCCC1 225504392 CFJGOJZVRIPPBF-UHFFFAOYSA-N 420.597 5.782 0 40 HKAB CCOC(=O)c1cccc(NC(=S)NCCCSCc2ccccc2C)c1C 225601493 OEESBGNAYWJDKS-UHFFFAOYSA-N 416.612 5.090 0 40 HKAB CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(OCc2ccccc2Cl)c1 225780787 PBPTZAZQEHXVGY-UHFFFAOYSA-N 400.305 5.845 0 40 HKAB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccc(Cl)c(C(F)(F)F)c1 225799897 BOGZWCQHJOASNI-UHFFFAOYSA-N 413.758 5.119 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)c2ccccc12 225915919 MWZMGGDWJCIDSK-UHFFFAOYSA-N 411.542 5.527 0 40 HKAB CCc1s/c(=N\C(=O)c2ccc(OC)cc2)n(CC)c1-c1ccc(Cl)cc1 408562196 OAWPROLIRKUAKT-LNVKXUELSA-N 400.931 5.202 0 40 HKAB CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc2c(c1)c1ccccc1n2CC 408600146 VTHNLKCLRZSWOF-UHFFFAOYSA-N 416.477 5.043 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2cccc(Cl)c2)c1 408698609 OOHVBQUNYPYHSY-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2 408992651 ASZBRNSLKIJENY-BAGYTPMASA-N 409.407 5.875 0 40 HKAB O=C1S/C(=C\c2ccccc2OCc2ccccc2)C(=O)N1CCc1ccccc1 409005481 FAKFJGARUGWRBI-QJOMJCCJSA-N 415.514 5.545 0 40 HKAB COc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(F)cc1 409114090 BWLQYRNIYPFWJG-UHFFFAOYSA-N 420.311 6.641 0 40 HKAB CCCCSc1nc2sc(CCC)c(C)c2c(=O)n1-c1ccc(CC)cc1 409120426 UISXBNKYVGEQPY-UHFFFAOYSA-N 400.613 6.163 0 40 HKAB Cc1s/c(=N\C(=O)c2ccc(Br)cc2)n(C)c1-c1ccc(Cl)cc1 409205074 KYSNIUUGEZUXSD-UZYVYHOESA-N 421.747 5.219 0 40 HKAB O=C(O)c1cccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c1 409205506 ODXLURRLUVLLPS-UHFFFAOYSA-N 406.221 5.116 0 40 HKAB CC1=CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccc(C(C)C)cc4)cc3cc21 618256974 PQZIJZVSSSQBFJ-UHFFFAOYSA-N 401.506 5.779 0 40 HKAB CCCc1cnc(Nc2cccc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)s1 2037836183 RQDJBOHBZQXYJL-OAHLLOKOSA-N 402.564 5.349 0 40 HKAB Cc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1Cl 648854 KXWIJOAEZWCXJC-UHFFFAOYSA-N 403.960 5.263 0 40 HKAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCC(C)C)cc2)cc1 706473 NGLYUYSFLRYVGV-XMMPIXPASA-N 402.494 5.501 0 40 HKAB CC1(C)Cc2c(cnn2-c2ccc(Br)cc2)-c2nc3ccccc3nc21 974380 GMUKZTHRWKJJET-UHFFFAOYSA-N 405.299 5.079 0 40 HKAB CCOc1ccc(-n2c(SCc3ccccc3C)nc3ccccc3c2=O)cc1 2196054 RWESOHZZVZXQBX-UHFFFAOYSA-N 402.519 5.385 0 40 HKAB CCCCN(C)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 2292002 CWDLRIFOJLCWTI-UHFFFAOYSA-N 412.603 5.526 0 40 HKAB CCC(CC)COC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 2396015 LWJURPITPXVJSC-UHFFFAOYSA-N 422.916 5.402 0 40 HKAB COc1ccccc1Oc1c(C)oc2cc(OCc3ccc(F)cc3)ccc2c1=O 2412446 KSBRBTCQBXDWQW-UHFFFAOYSA-N 406.409 5.620 0 40 HKAB biogenic CC(C)c1cc(C(C)C)c(S(=O)(=O)NCc2ccc3c(c2)OCO3)c(C(C)C)c1 2727430 STFSYSZFCVHZER-UHFFFAOYSA-N 417.571 5.264 0 40 HKAB Cc1cccc(S(=O)(=O)CC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1 3128309 AZSPBXYLXOBQOP-UHFFFAOYSA-N 421.345 5.012 0 40 HKAB O=C(c1ccccc1)c1oc2ccccc2c1CSc1ccc(Cl)c(Cl)c1 3133633 UXPZKSGXALLOHP-UHFFFAOYSA-N 413.325 7.263 0 40 HKAB FC(F)(F)C(Sc1ccccc1)=C(Sc1ccccc1)Sc1ccccc1 3168151 RSMOENYNQUDFBU-UHFFFAOYSA-N 420.546 8.095 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(Oc2ccccc2)cc1 3217232 FMFCTDGYDUIURZ-UHFFFAOYSA-N 424.382 5.331 0 40 HKAB Fc1ccccc1-c1nnc(SCCOc2ccccc2)n1CCc1ccccc1 3294931 FMARVPMDDFPAKX-UHFFFAOYSA-N 419.525 5.498 0 40 HKAB CCOc1ccccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 3336899 UUKKPLSMELXWEC-UHFFFAOYSA-N 422.447 5.112 0 40 HKAB COc1ccc(-n2c(COc3ccccc3)nnc2SCc2ccccc2F)cc1 3355824 YSWXTQSUYWIDEX-UHFFFAOYSA-N 421.497 5.286 0 40 HKAB CCCCc1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc1 3765102 FELKAIRCBKDIBL-UHFFFAOYSA-N 402.607 6.538 0 40 HKAB Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 4116150 JUSXDFVHEDSJFA-UHFFFAOYSA-N 404.554 5.817 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1c(NC(=O)C(F)(F)F)sc2c1CCCCC2 4150916 IWADIEZHUMJRFJ-UHFFFAOYSA-N 416.852 5.424 0 40 HKAB COc1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccccc1C 4309808 WDWTWPUJMRDTAP-CIAFOILYSA-N 417.436 5.066 0 40 HKAB CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccoc1C 4374016 MEKSORXMAPAQHP-UHFFFAOYSA-N 418.522 5.264 0 40 HKAB CC1C[C@@H](C)N(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)[C@H](C)C1 4614580 FAEDTXFSFBXMCZ-LFEHRJTNSA-N 420.479 5.193 0 40 HKAB CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 5023517 YZHRYQRTNJZSCM-ZBFHGGJFSA-N 423.504 5.434 0 40 HKAB Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)NC1CCCCC1 6127381 ZUEUQXWPQGZUKY-UHFFFAOYSA-N 416.521 5.228 0 40 HKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(CC)cc4)cc3n2)cc1 6138522 PRCZTZKIYCLYNX-UHFFFAOYSA-N 412.537 5.886 0 40 HKAB CCOc1c(Br)cc(/C=C/c2nc3cc(Cl)ccc3o2)cc1OC 6431059 YCPJAZKWQUBGBG-QPJJXVBHSA-N 408.679 5.821 0 40 HKAB c1ccc(-c2nc(SC(c3ccccc3)c3ccccc3)oc2-c2ccccc2)cc1 6530236 CRDBEJYWQZITFP-UHFFFAOYSA-N 419.549 7.890 0 40 HKAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cccc(Cl)c1 6535844 AGILLRDBQSFBBR-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB CCc1ccc2c(c1)C(c1ccc(OC)cc1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 6844114 IYYGLCYVHXHOLI-UHFFFAOYSA-N 411.549 5.989 0 40 HKAB Cc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1C 6846167 JYIURFAZOYHCFT-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 7381436 UPMVVYXUBXXHRD-QFIPXVFZSA-N 402.494 5.619 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C)c2cccc3ccccc23)c1 8340708 IEPGANYAKZJGLR-INIZCTEOSA-N 400.478 5.515 0 40 HKAB Nc1c(C(=O)Nc2ccc(Cl)cc2Cl)sc2nc3c(cc12)N1CCC3CC1 8763221 QCDCKMXQNKBDPZ-UHFFFAOYSA-N 419.337 5.135 0 40 HKAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(Br)c(Cl)c3)CC2)cc1 9063160 SMLUDZQZXLXULG-UHFFFAOYSA-N 421.766 5.262 0 40 HKAB Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)c2ccc(F)cc2)c1 9250129 WUIPHCDCZNUANM-UHFFFAOYSA-N 408.498 5.373 0 40 HKAB Cc1ccccc1Nc1c(-c2ccc(N(C)C)cc2)nc2ccc(Br)cn12 9289145 WRURXRHHKIXFAL-UHFFFAOYSA-N 421.342 5.882 0 40 HKAB O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)N1CCc2sccc2C1 10490082 AXCQGUBLJBVERO-SFHVURJKSA-N 407.564 5.191 0 40 HKAB CC(=O)O[C@H](COc1cccc2cccnc12)Cn1c2ccccc2c2ccccc21 11667618 OVWQZZSNAMLNBE-FQEVSTJZSA-N 410.473 5.353 0 40 HKAB CN(c1ccccc1)c1nnc(-c2ccc(NC(=O)Cc3cccs3)cc2)s1 11797042 VJNOOQUZPXISFL-UHFFFAOYSA-N 406.536 5.216 0 40 HKAB COc1cccc2c1O[C@H](c1ccc(SC)cc1)N1N=C(c3ccc(F)cc3)C[C@@H]21 12196788 KJVAJZAJVZWKBQ-XUZZJYLKSA-N 420.509 5.799 0 40 HKAB Cc1ccc(-n2c(-c3ccncc3)nn(CN(C)Cc3sccc3C)c2=S)cc1 12544041 JCIGODJVELQJTE-UHFFFAOYSA-N 421.595 5.233 0 40 HKAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(N4CCCCC4)cc3)s2)cc1 12694909 NLYDGVVBLGNBJI-UHFFFAOYSA-N 421.566 5.582 0 40 HKAB CCC(C)(C)[C@H]1CCc2nc3sc4c(c3c(-c3ccc(C)cc3)c2C1)CCCC4 12970784 AQZMKKQGLULGRB-IBGZPJMESA-N 403.635 7.692 0 40 HKAB O=C(COc1cc2ccccc2cc1C(=O)O)Nc1ccc(Oc2ccccc2)cc1 13080400 OLIFXLHTXBSKLU-UHFFFAOYSA-N 413.429 5.348 0 40 HKAB CC(C)C(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1c1ccco1 13126298 CKWABFKXLFEFNO-HSZRJFAPSA-N 424.504 5.466 0 40 HKAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4)cc3c2C)cc1OC 15729483 LJMJIFJLTRMAAF-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB biogenic CC[C@@H](C)c1ccc2oc(-c3cc(Br)c(N)c(Br)c3)nc2c1 16610575 XRFVJSLWTLUOMP-SECBINFHSA-N 424.136 6.116 0 40 HKAB Cc1ccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)cc1C 16841087 RHSLCUOVUJJINK-UHFFFAOYSA-N 417.328 5.452 0 40 HKAB COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c(F)c1F 17090516 QQFHOQKSFCNFNQ-UHFFFAOYSA-N 416.330 5.312 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cccc2c(Cl)cccc12 17090875 MYRLTFYHFNKADH-UHFFFAOYSA-N 416.839 6.693 0 40 HKAB CC(=O)Nc1ccc(Oc2cc(C)nc([C@H]3CCCN(C(=O)C4CCCC4)C3)c2)cc1 19570113 JYMSKPGHDOEEAO-FQEVSTJZSA-N 421.541 5.037 0 40 HKAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(-c4csc(C)n4)cc3)c2)n1 19574532 PJOMBZSUZXRTAD-UHFFFAOYSA-N 402.523 5.232 0 40 HKAB COc1ccc(-c2csc(-c3nc(-c4ccc(OC)c(F)c4)cs3)n2)cc1F 19898804 WZPPKKNHMSZPFE-UHFFFAOYSA-N 416.474 5.896 0 40 HKAB Cc1ccc(Nc2nc(-c3ccc(C(C)C)cc3)c(CC(=O)O)s2)cc1Cl 21005990 GKVUHZBXKSKLPJ-UHFFFAOYSA-N 400.931 6.266 0 40 HKAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1c(Cl)cccc1Cl 21055693 JTASSZXGJXHHMX-UHFFFAOYSA-N 422.230 5.219 0 40 HKAB CCOc1ccc(-c2cc(C(=O)N(Cc3ccccc3)Cc3ccco3)no2)cc1 21524309 NKYVODQDGALTLQ-UHFFFAOYSA-N 402.450 5.176 0 40 HKAB Clc1ccc(COc2ccc(Cl)cc2CNC23CC4CC(CC(C4)C2)C3)cc1 22073898 DZJMMIWVEIRNMR-UHFFFAOYSA-N 416.392 6.631 0 40 HKAB COc1cccc2cc(-c3csc(NC(=O)NCc4ccc(Cl)cc4)n3)oc12 22479727 AJPRJJWBDLEAGE-UHFFFAOYSA-N 413.886 5.540 0 40 HKAB CC(C)c1ccc([C@@H](NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c2cccs2)cc1 25001943 IWCONECJHOXCCZ-AUSIDOKSSA-N 404.535 5.203 0 40 HKAB COc1cc(C(C)=O)ccc1OCCCC(=O)N(c1ccccc1)c1nc(C)cs1 40129038 ZNPASKWPGLZATD-UHFFFAOYSA-N 424.522 5.187 0 40 HKAB COc1ccc([C@@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 44933225 BBISUUXIACKNNK-OAHLLOKOSA-N 421.368 5.091 0 40 HKAB Cc1cccc(C(=O)Nc2ccc3c(c2)nc(CN2CCC(C)CC2)n3C(C)C)c1 65322302 NELKPZJGGYIAFZ-UHFFFAOYSA-N 404.558 5.410 0 40 HKAB CC(C)c1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)cc1 67292784 ARCFQZFWVWKLKY-VUFATCQFSA-N 424.928 5.351 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(F)c(F)c2)cc1 67297651 FMINIPVBVZCCDL-VYIQYICTSA-N 406.388 5.204 0 40 HKAB Cc1ccccc1-n1ncc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1C 70004631 KFUDSDLXDYCEPM-UHFFFAOYSA-N 409.704 5.206 0 40 HKAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1ccc(C2SCCCS2)cc1 71800172 OXZTZKDMTIOEGQ-UHFFFAOYSA-N 413.593 5.656 0 40 HKAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 72214885 XOTYMNDGHAVWSK-JOCHJYFZSA-N 409.574 5.959 0 40 HKAB O=C1N=C(Nc2cccc(C(F)(F)F)c2)/C(=C/c2ccc3nccnc3c2)S1 72400844 YBSJFRBMCOIRQP-SXGWCWSVSA-N 400.385 5.367 0 40 HKAB O=C(NCc1ccccc1)c1cc2ccc(-c3ccc(F)cc3)cn2c1-c1cocn1 96155501 YWPLOJUSCRBJEH-UHFFFAOYSA-N 411.436 5.330 0 40 HKAB CC(C)c1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 98072969 AQDURXIISCBMHN-UHFFFAOYSA-N 422.266 5.392 0 40 HKAB CN(C)c1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 107604690 NKNAVINHNKDKDP-UHFFFAOYSA-N 424.378 5.401 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc2C)cc1 107700466 PRKAEBWGSWFLIC-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913036 SJZZRXMQSAXCFD-CCHXTOEHSA-N 418.662 5.763 0 40 HKAB in-vitro C[C@@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc2c(c1)CCCC2 222974888 RNDGDRMAZDAECI-GOSISDBHSA-N 410.989 5.308 0 40 HKAB S=C(NCC1(c2ccccc2)CCCCC1)Nc1ccc(Oc2ccccc2)nc1 223994316 AVHUYPZDRBWBFW-UHFFFAOYSA-N 417.578 6.062 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COCc1ccccc1 224746357 OBRSGHFAJNUYGQ-UHFFFAOYSA-N 403.522 5.925 0 40 HKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)ccc1F 224892869 NKBRBGPPHZONFC-XZOQPEGZSA-N 420.557 5.459 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)c2ccccc12 225770309 IJGFEOHJDNUVLC-UHFFFAOYSA-N 403.522 5.706 0 40 HKAB Cc1cc(CN(C(=O)c2ccc3nc(Cl)sc3c2)C2CCCC2)c(C)n1C 225985839 FWAPAUSRESYGSH-UHFFFAOYSA-N 401.963 5.490 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H](C(=O)O)[C@H]([C@@]3(C)CCCCC3=O)CC[C@]12C 253390086 CGYXDTVDPDQBGI-IQXDOFMRSA-N 404.635 6.742 0 40 HKAB biogenic,in-vitro CN(C)C(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)CC(C)(C)C)CC1 257266202 MBYYZAZRGFEIEK-UHFFFAOYSA-N 420.597 5.029 0 40 HKAB O=C(CSc1cccc2ccccc12)N1c2ccccc2S[C@@H]2C=CC=C[C@@H]21 408543855 RYTMQLGHKWODCX-SIKLNZKXSA-N 401.556 5.934 0 40 HKAB CCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(CC)c1-c1ccc(F)cc1 408562452 PQQUKCSZZNQMAQ-GFMRDNFCSA-N 423.340 5.986 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)c(C)c3)n2)cc1 408693740 CVAHTBKPRVAOFD-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(C)c(C)c2)cc1 408696281 ZFEWBHDFWOFHBM-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Fc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 409083527 BKAMCVMOEJHXQE-UHFFFAOYSA-N 409.917 5.943 0 40 HKAB Cc1ccc(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c(C)c1 409113225 HDVSHEHWAXGVFZ-UHFFFAOYSA-N 404.312 6.940 0 40 HKAB CCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)c2ccccc21 409117477 NWFUIDWWMOZMRD-MOSHPQCFSA-N 407.872 5.965 0 40 HKAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2cccc(Oc3ccc(F)cc3)c2)C1 575617913 SMFCRSVBUPIWJO-HXUWFJFHSA-N 415.468 5.363 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C(C)C)nc4O)cc3)sc2c1 1615612565 HHFKLKKJCRZIPZ-UHFFFAOYSA-N 403.507 5.748 0 40 HKAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(CC)oc2cc1OC(=O)CC 941918 FFSDVPAXKJREGP-UHFFFAOYSA-N 422.477 5.062 0 40 HKAB Cc1cc2nc(-c3cc(NC(=O)COc4ccccc4C)ccc3Cl)oc2cc1C 995814 AKKFSCYHGUIDPD-UHFFFAOYSA-N 420.896 6.091 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3ncnc(SCC(=O)c4cccs4)c23)C1 1223137 QAXBEYPSBSJVRE-LBPRGKRZSA-N 402.610 5.879 0 40 HKAB COc1ccccc1NC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 1353054 PDJODXOBRFDFNM-UHFFFAOYSA-N 419.525 5.212 0 40 HKAB Cc1cccc(C=C(C(=O)N[C@@H](C)c2ccccc2)C(=O)N[C@@H](C)c2ccccc2)c1 2640585 WNQOTSYFWDSKAJ-SFTDATJTSA-N 412.533 5.133 0 40 HKAB CCOc1ccc2c(c1)c1nnc(-c3ccc(F)cc3)c-1cn2Cc1ccccc1F 2690577 PXMNOXIIHPEMBA-UHFFFAOYSA-N 415.443 5.928 0 40 HKAB O=P1(Nc2cccc3ccccc23)C=C(c2ccccc2)OC(c2ccccc2)=C1 3164297 SESDBFYAOJATAV-UHFFFAOYSA-N 409.425 7.557 0 40 HKAB O=C(Nc1sc2c(c1C(=O)N1CCCc3ccccc31)CCC2)c1ccc(F)cc1 3237969 NFWPXFFNHCHFLW-UHFFFAOYSA-N 420.509 5.221 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccccc3)c3ccccc3n2)cc1 3256240 AIRPHADQMIDXAA-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB c1ccc(-c2ccc(OCc3cn(-c4ccccc4)nc3-c3ccccc3)cc2)cc1 3384403 SMXLVWGQNKAUSL-UHFFFAOYSA-N 402.497 6.785 0 40 HKAB Cc1ccc(Sc2c(C(=O)Nc3ccc(Cl)cc3)c3ccccc3n2C)cc1 4052741 AYLWUBZSBOEBDQ-UHFFFAOYSA-N 406.938 6.544 0 40 HKAB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(Cl)cc1Cl 4078914 LIDFMEIPDYRRIT-QGZVFWFLSA-N 412.114 5.454 0 40 HKAB Cc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccco3)n2Cc2ccccc2)c1 4309021 VDCYPSSUKOVPGX-KRWDZBQOSA-N 418.522 5.014 0 40 HKAB O=c1c2ccccc2nc(SCc2ccc(F)cc2)n1Cc1ccc(Cl)cc1 4412294 FPJQLLMOAFXTAY-UHFFFAOYSA-N 410.901 5.530 0 40 HKAB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1ccc(Cl)cc1Cl 4427691 YLHNPYRIAAIWNE-UHFFFAOYSA-N 414.376 7.022 0 40 HKAB C[C@@H](CCC(=O)c1ccccc1)[C@@H]1CC[C@H]2[C@H]3CC[C@H](CCO)C[C@@H]3C[C@@H](O)[C@]12C 4758466 XABOCDPPAPNLAE-FOAFDWHNSA-N 412.614 5.498 0 40 HKAB COc1ccccc1Oc1c(-c2ccc(OCc3ccc(F)cc3)cc2O)n[nH]c1C 5219042 VSKDOILDQYWWMB-UHFFFAOYSA-N 420.440 5.610 0 40 HKAB Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)c1 5235921 UFXSKWVXSGGRQK-QHCPKHFHSA-N 423.560 5.839 0 40 HKAB CCCCc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1 5414071 HQFKPOZUGYYQMY-UHFFFAOYSA-N 411.596 5.644 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)C34CC5(C)CC(C)(CC(C)(C5)C3)C4)ccc21 5569499 MFVWQGMODRGDHG-UHFFFAOYSA-N 414.593 7.140 0 40 HKAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2csc(-c3ccccc3)n2)n1 6009408 BNDPHRCRBKJXMV-UHFFFAOYSA-N 414.943 5.550 0 40 HKAB CCOc1ccccc1C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 7509613 AIPLVPVDSJZLCU-UHFFFAOYSA-N 405.475 5.072 0 40 HKAB CCCc1n[nH]c(=S)n1NCc1c(OCc2ccccc2)ccc2ccccc12 7601295 UREXPPMDXOYRGZ-UHFFFAOYSA-N 404.539 5.369 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)N1CCC[C@@H]2CCCC[C@@H]21 7772288 GOLAWBFGSKSVEB-AVRDEDQJSA-N 417.578 5.570 0 40 HKAB Cc1csc(NC(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4)c3s2)n1 8192445 BKAWDDLWWKWSQH-UHFFFAOYSA-N 402.932 5.125 0 40 HKAB CC(C)CCOc1ccc(C(=O)N(C)c2ccccc2C(=O)NC2CCCCC2)cc1 8560506 WYPACPFSBUEPNT-UHFFFAOYSA-N 422.569 5.451 0 40 HKAB COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Br)cc2)c(O)c1 9160032 XGYANNNTZKAEGY-UHFFFAOYSA-N 413.193 5.239 0 40 HKAB Cc1cccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 9226472 JUZKIBLRJKAULJ-UHFFFAOYSA-N 400.434 5.011 0 40 HKAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3Cl)c3ccccn23)cc1C 9316921 VDQAILBLJOGWEX-UHFFFAOYSA-N 417.896 5.275 0 40 HKAB O=C1c2ccccc2N[C@@H](c2csc(-c3ccc(Cl)cc3)n2)N1Cc1ccco1 9548873 DHYYMAZMTPAKAY-HXUWFJFHSA-N 421.909 5.823 0 40 HKAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NCc1ccc(Cl)cc1Cl 11247575 AQVICCMLYCLNNQ-UHFFFAOYSA-N 409.700 5.551 0 40 HKAB O=C(c1ccc(NC(=O)c2ccccc2Br)cc1)c1cc2ccccc2o1 12388894 PGPIQPRKYFTGOD-UHFFFAOYSA-N 420.262 5.679 0 40 HKAB biogenic CC[C@H](C)c1ccc(-c2csc(NC(=O)c3oc4c(F)cccc4c3C)n2)cc1 12621951 LGXHOMRPAXLHQL-ZDUSSCGKSA-N 408.498 6.770 0 40 HKAB CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccccc4)n12)CC[C@H](C)C3 13499765 IRNQVPQPHQTCTI-ZDUSSCGKSA-N 422.579 5.001 0 40 HKAB CCc1ccc(O[C@H](C)c2nnc(SCc3ccccc3Cl)n2CC)cc1 13871449 QXBDGZPEHFLUKZ-OAHLLOKOSA-N 401.963 5.946 0 40 HKAB O=C(Nc1ccccc1-c1cccs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 14704882 ZSOCVBMHGQKIPJ-UHFFFAOYSA-N 415.358 6.705 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)N3CCC(c4nc5ccccc5o4)CC3)sc2c1 15832096 HVSRVWBWZDKYDJ-UHFFFAOYSA-N 410.926 6.024 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)N[C@@H](Nc1ccccn1)C(Cl)(Cl)Cl 16608623 PQOGPQCDZDICOM-HGTKMLMNSA-N 422.784 5.377 0 40 HKAB Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 16741766 BSDNIJURQHXPFW-FQEVSTJZSA-N 405.837 5.093 0 40 HKAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(-c2nc3ccccc3s2)s1 17201256 OYMRHRFXDIJZQP-UHFFFAOYSA-N 420.544 5.796 0 40 HKAB Cc1csc(C(=O)Nc2ccc(Oc3cc(C)nc(C4CCNCC4)c3)cc2)c1 19124648 ZXGDAMDTEPUFGC-UHFFFAOYSA-N 407.539 5.272 0 40 HKAB c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCCN3Cc3ccccn3)n2)cc1 19373047 WUGVFMCHTYJYGC-XMMPIXPASA-N 422.536 5.404 0 40 HKAB COc1ccc2cc(CN(C)C(=O)c3occc3COc3ccccc3)ccc2c1 22276002 HSALBOVAIZFFCN-UHFFFAOYSA-N 401.462 5.293 0 40 HKAB Cc1ccc(/C=C/C2=Nc3ccccc3C(=O)[C@@H]2c2c(Cl)cccc2Cl)cc1 26503814 DSHIXHGHIFPSQH-ZVQQDINOSA-N 406.312 7.068 0 40 HKAB COc1ccccc1NC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(C)cc1 27515774 LYYWBEPCLKWEJV-UHFFFAOYSA-N 412.493 5.178 0 40 HKAB CCOc1ccc(-c2noc(CSc3ccc(-c4cccc(Cl)c4)nn3)n2)cc1 33021926 KOQKXHSISJOFGG-UHFFFAOYSA-N 424.913 5.538 0 40 HKAB Cc1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)N2C[C@@H](C)C[C@H](C)C2)cc1 36095970 RWUUYEFLSSWUDM-TXPKVOOTSA-N 422.554 5.132 0 40 HKAB Cc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)c(Br)c1 61242862 DBFJHLOYXSYEIJ-UHFFFAOYSA-N 405.239 5.465 0 40 HKAB Cc1ccc(Cn2c(SCc3cc(F)cc(F)c3)nc3ccccc3c2=O)cc1 67259464 JGMYULSAFQAPIL-UHFFFAOYSA-N 408.473 5.324 0 40 HKAB CCCCOc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCCC)CC3)cc2)cc1 100003547 XJXZINVAFYRYRN-SZPZYZBQSA-N 408.582 7.549 0 40 HKAB Cc1cc(C)n(-c2ccc(C(=O)N3[C@H]4CC[C@H]3CC(c3ccc(F)cc3)C4)cc2)n1 100166788 FPSAZKJBKHOTQZ-ZEQRLZLVSA-N 403.501 5.179 0 40 HKAB COc1cccc(-c2cc(C(F)(F)F)nc(N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)n2)c1 101246257 TVGVACZMYUWTHM-YCRPNKLZSA-N 405.464 5.576 0 40 HKAB COc1cccc(CN(C)C(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)c1OC 103534436 WLAMHTYXBXUGCC-KDGKYOGISA-N 419.565 5.200 0 40 HKAB CCn1c(=S)[nH]c2nc(-c3ccc(C)cc3)cc(-c3ccc(Cl)cc3)c2c1=N 103671234 FSQOMHRGIRPCGM-UHFFFAOYSA-N 406.942 5.889 0 40 HKAB C/C=C(\CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118915349 OSELKOCHBMDKEJ-JWWITDBWSA-N 412.702 7.945 0 40 HKAB biogenic CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](c5cccc(=O)o5)CC[C@H]4[C@@H]3CC[C@@H]2C1 118924409 NJSXEKDLWSSOHT-QHKUEKRWSA-N 412.570 5.698 0 40 HKAB CC1=NN(C(C)(C)C)[Si]2(C(C)(C)C)C1[Si]1(C(C)(C)C)C2C(C)=NN1C(C)(C)C 195752811 MOHPVIOZDDPMBH-UHFFFAOYSA-N 420.794 6.290 0 40 HKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(Cc2ccccc2Br)C1=O 214963774 VGXBCAVVSDUIBY-JOEZZVDMSA-N 414.324 5.632 0 40 HKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(CSc2ccccc2)cc1C 216443804 LNCJPKBWSXODGO-DEOSSOPVSA-N 419.590 6.700 0 40 HKAB CC(C)(C)CC(C)(C)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 223419543 RMLIDBCQBRBYRC-HSZRJFAPSA-N 424.610 5.405 0 40 HKAB C[C@@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccccc3)CCCC2)cn1 223973816 JEKMGBZGWSZTKP-LJQANCHMSA-N 408.615 5.259 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccccc1C(C)(C)C 224167025 GUNRDVUGHPYZOU-LJQANCHMSA-N 417.549 6.063 0 40 HKAB CCc1ccccc1NC(=O)c1ccc(OC)c(COc2ccccc2C(C)C)c1 224228292 XBWLWZYSHOHZNM-UHFFFAOYSA-N 403.522 6.212 0 40 HKAB CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224945746 IUCBTYPLSXFZSG-UHFFFAOYSA-N 400.327 5.140 0 40 HKAB O=C(NCc1ccc(F)cc1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224966617 DITXADZQVQAPSD-UHFFFAOYSA-N 406.844 5.731 0 40 HKAB COc1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)cc1 225317044 CTMKHBGAMNHLSG-UHFFFAOYSA-N 411.885 5.721 0 40 HKAB Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc(C)c1OCc1ccccc1 225521898 TURLGUHKKMLEHT-UHFFFAOYSA-N 417.524 6.472 0 40 HKAB O=C(NCCCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225585514 ORSFNEXSGQEIDJ-UHFFFAOYSA-N 423.359 5.094 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cc(/C=C/C(=O)O)ccc2Br)cc1 226357186 UZWRMAIELOJAFI-VZUCSPMQSA-N 402.288 5.097 0 40 HKAB Cc1ccnc(Nc2cc([C@H]3CCCN(Cc4c[nH]c5ccccc45)C3)nc(C)n2)c1 257275972 NRUSEGFKOBNTOZ-IBGZPJMESA-N 412.541 5.093 0 40 HKAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccc(C(C)(C)C)cc1 408714085 IDFCZFWPLJIPEP-UHFFFAOYSA-N 405.542 5.604 0 40 HKAB COc1cc(CNc2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409110345 UVFLXXIBYJNWNA-UHFFFAOYSA-N 417.914 5.037 0 40 HKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc2C)cc1C 409383776 GLUCXYOQRFAEPD-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB O=C1C[C@H](c2ccc(C(F)(F)F)cc2)c2cc(Br)c3ccccc3c2N1 861538 JGQLHHQNSMXVRZ-OAHLLOKOSA-N 420.228 6.095 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)c1 919478 JNTLIYWVNRAPOU-WMLDXEAASA-N 404.392 5.006 0 40 HKAB COc1cccc(C(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c23)c1 933079 CONMVQVXIFHQCD-UHFFFAOYSA-N 406.532 5.650 0 40 HKAB Clc1ccsc1-c1ccc2cc(Br)cc(Br)c2n1 1402283 OVTRPIDISNYOQH-UHFFFAOYSA-N 403.526 6.142 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(C(=O)c2cccs2)cc1 1431373 MIGWZFLFPDBSTH-UHFFFAOYSA-N 411.526 6.140 0 40 HKAB Clc1cccc(-n2cc(-c3ccccc3)c3c(NCc4ccccn4)ncnc32)c1 1447623 FNONCBXQNHTCBR-UHFFFAOYSA-N 411.896 5.748 0 40 HKAB COc1ccc(-c2cc3nn4c(-c5ccccc5)c(-c5ccccc5)nc4nc3o2)cc1 1872708 PPFKXBOBYHVHFR-UHFFFAOYSA-N 418.456 5.880 0 40 HKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccc(Cl)cc3)c2NC(=O)C(C)C)cc1C 2225451 AXUCCANSQIKMRC-UHFFFAOYSA-N 409.917 5.073 0 40 HKAB O=C(CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)c1ccc(F)cc1 2359808 SBWMJMYQTQLXAI-UHFFFAOYSA-N 423.900 5.702 0 40 HKAB COC(=O)c1cc(CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)oc1C 2641020 WICASHVWMLFYOL-UHFFFAOYSA-N 417.490 5.186 0 40 HKAB aggregator O=c1c2c(nc(SCc3ccccc3Cl)n1-c1ccc(Cl)cc1)CCS2 2720024 GPFRTRAQDQTUCL-UHFFFAOYSA-N 421.374 5.480 0 40 HKAB O=C(Nc1ccc(-c2noc(-c3ccccc3Br)n2)cc1)c1ccco1 2930855 GMOGUEYOSBICHT-UHFFFAOYSA-N 410.227 5.011 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4cccc(C)c4)cc3)cc2)c1 3127782 AYRYDRQXKHHZPN-UHFFFAOYSA-N 420.512 6.475 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(Nc2ccccc2Cl)sc1Cl 3192233 GVNWRNACLMLJSK-UHFFFAOYSA-N 419.742 5.680 0 40 HKAB O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(c2ccccc2F)CC1 3287560 YXLAMEKGTAYGSD-UHFFFAOYSA-N 409.313 5.310 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(CSc2ccc(Cl)cc2)cc1 3341780 SJVLZHHUNDSNFC-UHFFFAOYSA-N 422.764 7.191 0 40 HKAB COc1ccc(C2=C[C@H](c3ccc(N(C)C)cc3)Sc3cc(C)ccc3N2)cc1 3846938 PQIBVOSMZXTCRM-XMMPIXPASA-N 402.563 6.370 0 40 HKAB biogenic COc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)N(C(=O)C(C)(C)C)c3ncnn32)cc1 4816804 ZTFCACHHKVYBFZ-VQTJNVASSA-N 424.932 5.054 0 40 HKAB Cc1ccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 4845666 OIVNNTPNVGFELQ-UHFFFAOYSA-N 410.433 6.102 0 40 HKAB Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c(=O)n2Cc1ccc(C(C)(C)C)cc1 4882522 RWQAGAYDZIWMTO-UHFFFAOYSA-N 418.562 5.177 0 40 HKAB O=C(Nc1oc2ccccc2c(=O)c1-c1cccc(Cl)c1)c1ccc(Cl)cc1 5321406 ABXFPASWSLRENT-UHFFFAOYSA-N 410.256 6.019 0 40 HKAB Cc1nc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c2c(C)c(C)sc2n1 5429106 NNMJQYYGAFHYJW-AAEUAGOBSA-N 403.548 5.114 0 40 HKAB CC(=O)N(c1ccccc1)c1nc(CSc2c(Cl)cccc2Cl)cs1 6000196 LYYIKDKKATVDQM-UHFFFAOYSA-N 409.363 6.427 0 40 HKAB CCCCn1c2ccccc2n2c(C(=S)Nc3ccccc3)c(-c3ccccc3)nc12 6078053 WYPDHHKESDKBIK-UHFFFAOYSA-N 424.573 6.544 0 40 HKAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 6420786 WIPQHBPEZUIRPM-UHFFFAOYSA-N 419.912 5.988 0 40 HKAB O=C(CSCc1ccccc1Cl)Nc1ccc(-c2nc3ccccc3o2)cc1 6592033 LKELDXPQLNJSHJ-UHFFFAOYSA-N 408.910 6.020 0 40 HKAB CCN(CC)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 6869534 MOJBANIJPLCCIA-UHFFFAOYSA-N 419.960 5.495 0 40 HKAB CC(=O)Nc1ccc2c(CSc3cc(C)c4cccc(C)c4n3)cc(=O)oc2c1 6947938 JPEGGJFPFCENKF-UHFFFAOYSA-N 404.491 5.209 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc(CSc2nc3ccccc3s2)cc1 8306359 CMXWTBXQSTXBCN-UHFFFAOYSA-N 410.951 6.494 0 40 HKAB CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CN1CCCC[C@H]1C 8428472 YEZCMNLBYNIZBA-QGZVFWFLSA-N 414.571 5.022 0 40 HKAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(CSc2ccccc2)cc1 8477784 ZMXFGBRHTQKWAF-NRFANRHFSA-N 407.535 5.784 0 40 HKAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3[C@H](C)c3ccccc3)CC2=O)cc1 8657320 UHJWVDHATRJQCI-QUCCMNQESA-N 411.505 5.175 0 40 HKAB COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2cccc3ccccc23)cc1 9327675 CHPLZRJKBLIHLH-UHFFFAOYSA-N 421.452 5.874 0 40 HKAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(C2SCCCS2)cc1 11083722 IYRQRWILGROLCV-UHFFFAOYSA-N 423.607 5.072 0 40 HKAB Cc1oc2cc(O[C@@H](C)C(=O)N(C(C)C)C(C)C)ccc2c(=O)c1-c1ccccc1 12904752 WGFCZMGNSDNMPT-SFHVURJKSA-N 407.510 5.181 0 40 HKAB CC(=O)c1ccc(NC(=O)[C@H](C)SCc2coc(-c3ccc(Cl)cc3)n2)cc1 12923867 INERNQHNOCBVEJ-AWEZNQCLSA-N 414.914 5.458 0 40 HKAB Clc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCO3)c1 13281837 NXTFLEWHULDMPX-UHFFFAOYSA-N 400.825 5.018 0 40 HKAB Clc1ccc(Cn2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1 13282003 BVDYTHCPWBKIND-UHFFFAOYSA-N 405.288 6.002 0 40 HKAB Clc1ccc(Cn2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1 13282007 QEXGIGGQXJVETE-UHFFFAOYSA-N 405.288 6.002 0 40 HKAB Cc1c(C(=O)c2ccccc2)oc2cc(NC(=O)CCc3cc(Cl)no3)ccc12 13693098 ABGYIYNPWRTRAK-UHFFFAOYSA-N 408.841 5.185 0 40 HKAB CCOc1ccc(-c2nc(NC(=O)Cc3ccc(Cl)cc3Cl)sc2C)cc1 16044014 NRRMMSYBXQNNDZ-UHFFFAOYSA-N 421.349 6.005 0 40 HKAB Cc1ccc(S[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 16310795 MHXMZXXLPSEHSJ-CQSZACIVSA-N 414.423 5.832 0 40 HKAB O=C(c1ccc(CSc2ccccc2)cc1)N1CCN(c2cccc(Cl)c2)CC1 16491670 PAVZSAULAKYMJM-UHFFFAOYSA-N 422.981 5.595 0 40 HKAB CCOP(=O)(OCC)c1nc(Cc2ccccc2)oc1NCc1ccc(C)cc1 16752535 LONAQKJINQLDKP-UHFFFAOYSA-N 414.442 5.077 0 40 HKAB Cc1cc2nc(-c3cccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)oc2cc1C 17088561 MJFVYEFSTZMKSV-JLHYYAGUSA-N 410.517 6.887 0 40 HKAB Cc1cnccc1CN1CCCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C(C)C)N2 19239525 ACSWXBHGBURFQX-DFQSSKMNSA-N 421.511 5.257 0 40 HKAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CCN(C(=O)C(C)C)CC2)n1 19691646 HLYPMQCANFNKTG-UHFFFAOYSA-N 404.476 5.362 0 40 HKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)cc1 20411911 AGGZVKUBPCORRI-UHFFFAOYSA-N 402.450 5.327 0 40 HKAB O=C(O)[C@H](c1c(-c2ccccc2)[nH]c2ccccc12)N1CCC(Cc2ccccc2)CC1 20730030 XUHYFUKVLRMZGS-MHZLTWQESA-N 424.544 5.915 0 40 HKAB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1ccc(Br)cc1 20895256 QLLGFFVMNAGVJC-SNVBAGLBSA-N 423.719 5.516 0 40 HKAB COc1cc(CNCCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 22074301 MPXQQAIDSNIIFH-UHFFFAOYSA-N 416.348 5.913 0 40 HKAB CCN(CC)c1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 22391193 CNHLUEQBFRMRIW-UHFFFAOYSA-N 402.585 5.029 0 40 HKAB O=C(Nc1ccccc1-c1nc(-c2ccccn2)no1)c1ccc(Cl)cc1Cl 22458773 VKXLAGFCQYEVNR-UHFFFAOYSA-N 411.248 5.358 0 40 HKAB COC(=O)c1ccc2c(O)nc(/C(Cl)=C/c3ccc(-c4ccccc4F)o3)nc2c1 24069833 QLJXPNQBIBYPMJ-WJDWOHSUSA-N 424.815 5.258 0 40 HKAB O=C(Nc1nc(C(F)(F)F)c(C(=O)c2ccccc2)s1)c1cc2ccccc2o1 24842621 HBOOURNPFAWIMR-UHFFFAOYSA-N 416.380 5.391 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)N(Cc2ccccc2Cl)c2ccccn2)cc1 28290803 GAKQJSHXSCURGM-UHFFFAOYSA-N 408.929 5.645 0 40 HKAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc(-c2ccc(Cl)cc2)o1 32126612 QFNJKWRBDOAWGN-UHFFFAOYSA-N 423.708 6.769 0 40 HKAB CCCOc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)c2cccnc12 32624397 XZHZUYJJFHMZEK-UHFFFAOYSA-N 401.466 5.548 0 40 HKAB Cc1ccccc1NC(=O)COc1ccc(CNc2ccccc2Cl)cc1Cl 33541254 IZQNIKYZKULYNO-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB Cc1c(Cl)cccc1NC(=O)Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1 35598135 OZZFJKNQANJQAO-UHFFFAOYSA-N 419.876 5.012 0 40 HKAB C[C@@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)Nc1ccc(F)cc1F 36396206 BTXQYJVGIZRQFP-CQSZACIVSA-N 410.424 5.048 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(Cc2ccccc2F)CC1 39755792 UMAYLPRWFSHOLT-UHFFFAOYSA-N 414.830 5.349 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(OCCSc2ccccc2)cc1 44847250 YPLGEUKFESFQNM-UHFFFAOYSA-N 418.345 6.417 0 40 HKAB Cc1c(C(=O)N2CCC(=C3C(=O)Nc4cc(Cl)ccc43)CC2)oc2ccccc12 58295012 MAFZBVRNMRLJHF-UHFFFAOYSA-N 406.869 5.037 0 40 HKAB CC(C)(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)cc1 59483724 RUEXYGKMVRUAJR-QFIPXVFZSA-N 408.904 6.548 0 40 HKAB COc1ccc(-c2nn(CN(C3CC3)[C@@H]3CCCc4ccccc43)c(=S)n2C)cc1 62581082 OPZVJZACBPMJSH-JOCHJYFZSA-N 420.582 5.126 0 40 HKAB CSc1cccc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)c1 64872271 IEWYZPJEHHJMEL-UHFFFAOYSA-N 404.560 6.488 0 40 HKAB CC(C)C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccc(F)cc2)no1 71195070 WADGZCJAHIEWAF-FQEVSTJZSA-N 409.505 5.690 0 40 HKAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72214715 BMTOVFCWAWSMCZ-OAQYLSRUSA-N 423.557 5.601 0 40 HKAB O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cnc2ccc(Cl)cc2c1Cl 72329803 IPUMKPHWUAGITG-UHFFFAOYSA-N 407.105 5.681 0 40 HKAB Cc1c(-c2nnc3sc(COc4ccc(C(C)(C)C)cc4)nn23)oc2ccccc12 96194320 DXJSXGLRHUIFTM-UHFFFAOYSA-N 418.522 5.784 0 40 HKAB COC(=O)C1=C(C)NC2=C(CCCC2)[C@@H]1c1ccc(COc2ccc(F)cc2F)o1 101526032 RTMMOQLGEDSDKU-JOCHJYFZSA-N 415.436 5.099 0 40 HKAB COc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1ccc(F)cc1 107564446 XEQSGQKVULOPDB-UHFFFAOYSA-N 407.938 5.474 0 40 HKAB Cc1cccc(CSCCNC(=O)CSCc2ccc(Cl)cc2Cl)c1 222717954 XBWJDSWYJIAAEF-UHFFFAOYSA-N 414.423 5.585 0 40 HKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 222825086 DGRJFCWWSWUPBM-CYBMUJFWSA-N 401.919 5.388 0 40 HKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 225066915 XIFQILYUMCYHLQ-RUZDIDTESA-N 420.597 5.102 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)Nc1nnc(SCc2ccccc2)s1 225365343 NWPAVHIHDKUYHC-UHFFFAOYSA-N 424.378 5.709 0 40 HKAB Cc1ccc([C@H](NC(=S)Nc2cccc(N3CCCC3=O)c2)c2ccccc2)cc1 225512230 YXVXYNLCEFYXSG-XMMPIXPASA-N 415.562 5.198 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NCCCSCc2cccc(C)c2)c(C)c1 225604484 XQLRGFDGFRMQFQ-UHFFFAOYSA-N 416.612 5.090 0 40 HKAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225623519 MIFXPWVRYRJKDM-DEOSSOPVSA-N 404.595 5.111 0 40 HKAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C 225790086 KKVHBALGQMTUEE-ZDUSSCGKSA-N 416.896 5.730 0 40 HKAB CCCCOc1ccc(CC(=O)O)cc1-c1cc(-c2cccc(F)c2)n(CC(C)C)n1 257311069 UHURJPLDVKXNLE-UHFFFAOYSA-N 424.516 5.818 0 40 HKAB Fc1cnc(Nc2cccc(Cl)c2Cl)nc1Nc1cccc(Cl)c1Cl 408544043 RMZVOBHCYNWBPL-UHFFFAOYSA-N 418.086 6.717 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)/C(=C/c1ccco1)c1ccccc1 408567831 RRXXOLJQRRWGOQ-JVWAILMASA-N 423.556 6.927 0 40 HKAB S=C(c1cc(Br)ccc1OCc1ccccc1Cl)N1CCCCC1 408575356 NZIRECMSMBOZAG-UHFFFAOYSA-N 424.791 5.843 0 40 HKAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2ccc(Cl)cc2)c1 408599067 DHKCITWHUDZNHC-UHFFFAOYSA-N 410.926 5.632 0 40 HKAB COc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cc(C)ccc3C)n2)c1 408698233 MNHAXYNIDPFKSS-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB CCOc1cc(-c2nc(O)c3c(C)c(C)sc3n2)ccc1OCc1cccc(F)c1 408734754 JDWFYBIWEZJSSN-UHFFFAOYSA-N 424.497 5.798 0 40 HKAB CCCCCCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OCC 408989191 SJXUOOKCLNJAMQ-LTGZKZEYSA-N 423.509 5.398 0 40 HKAB Cc1ccc(Cl)cc1-c1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)o1 409075430 YSCPFNVDSYHFPW-WOJGMQOQSA-N 413.260 5.659 0 40 HKAB Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)c(C)c2)cc1 409099895 MSIFVHYRXKKQPA-UHFFFAOYSA-N 419.981 6.805 0 40 HKAB Cc1ccc(OCCSc2nnc(-c3ccncc3)n2-c2cccc(C)c2)cc1 409108318 ZZCPAYSWSPYESZ-UHFFFAOYSA-N 402.523 5.117 0 40 HKAB COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccccc1Cl 409116172 LYOIBFRCWMIBJE-XKZIYDEJSA-N 423.921 6.013 0 40 HKAB CC(C)N1CCC[C@H](Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1 2037843770 IPLVIELKFKDFHT-GOSISDBHSA-N 410.562 5.751 0 40 HKAB CCCC(=O)NC(=S)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 724340 AXTXHBPQMAGXTP-UHFFFAOYSA-N 408.310 5.415 0 40 HKAB CC[C@H](C)OC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1 957152 WNSAZBBRNSHFBI-KBPBESRZSA-N 416.857 5.348 0 40 HKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=O)NCc3ccccc3)C3CCCCC3)cc12 1371616 TYAVRAAWVXRLJT-UHFFFAOYSA-N 417.553 5.189 0 40 HKAB CCC(=O)N(CC[C@@H](c1ccc(C)cc1)c1ccco1)Cc1ccc(OC)c(OC)c1 2139685 FPUYZPNIHMHRCD-QFIPXVFZSA-N 421.537 5.566 0 40 HKAB biogenic Cc1ccc(-c2csc3ncnc(SCc4ccc(Cl)cc4Cl)c23)cc1 2392596 DFWVWLHDONXRBS-UHFFFAOYSA-N 417.386 7.266 0 40 HKAB Cc1ccc(CNCc2nc(NCc3ccc(C)cc3)c3c(C)c(C)sc3n2)cc1 2661626 KBPJZUMSMDEABY-UHFFFAOYSA-N 416.594 5.827 0 40 HKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(NCc4ccc(F)cc4)ncnc32)c1 2714272 OZDWXNKRSKLPMU-UHFFFAOYSA-N 408.480 6.147 0 40 HKAB Clc1ccc(Cl)c(Nc2nc3nonc3nc2Nc2ccccc2Cl)c1 3021082 OIPWSGWRTIFWRF-UHFFFAOYSA-N 407.648 5.460 0 40 HKAB Cc1cc(C)c(NC(=O)COC(=O)c2c(-c3ccccc3Cl)noc2C)c(C)c1 3237083 UTBRLMMZQPPPKS-UHFFFAOYSA-N 412.873 5.024 0 40 HKAB CSc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 3410983 IJDDUZMUDXUISX-UMADGWCESA-N 416.546 5.551 0 40 HKAB Oc1cc2c(cc1Cl)C1(CCCC1)[C@H]1CCC[C@@]1(c1cc(Cl)c(O)cc1O)O2 3627468 CBWKENFMNUUSAG-IRLDBZIGSA-N 421.320 6.010 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccc4c(c2)OCO4)N3)C1 4554744 XRRDFPBFBZMZRB-CTGZGNLVSA-N 424.566 5.788 0 40 HKAB O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1Cc1ccccc1Cl 4727931 DMVKLCNQHUGQIK-SDNWHVSQSA-N 407.300 5.922 0 40 HKAB CSc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)cc1 4735124 CHPGQGRGGGIWHS-UHFFFAOYSA-N 409.898 5.849 0 40 HKAB COc1ccc2ccccc2c1[C@@H]1N=C(O)c2c(sc3c2CC[C@@H](C(C)(C)C)C3)N1 4783904 JZKPOVKCXXICMA-IVZQSRNASA-N 420.578 6.490 0 40 HKAB CCCOc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 4834978 MVDCDZWYXVVAGL-UHFFFAOYSA-N 404.462 5.191 0 40 HKAB CC(C)C[C@H](Nc1nc(Cc2ccccc2)nc2sc3c(c12)CCCC3)C(=O)O 4862811 KKNWCDIKZXRZSK-KRWDZBQOSA-N 409.555 5.072 0 40 HKAB Cc1ccc2nc3sc(C(=O)Nc4cccc(Cl)c4Cl)c(N)c3cc2c1 4994003 PYMIAGXUWVKEHK-UHFFFAOYSA-N 402.306 5.899 0 40 HKAB Clc1ccc([C@H]2CC(c3ccccc3)=NN2c2nc(-c3ccccc3)cs2)cc1 5243899 RGFSBVDYFDKILK-HSZRJFAPSA-N 415.949 6.819 0 40 HKAB CC(C)(C)c1ccc(OCCn2cc(/C=C3/SC(=N)NC3=O)c3ccccc32)cc1 5563092 JEYMRQGWIAOHGQ-KGENOOAVSA-N 419.550 5.156 0 40 HKAB COc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccccc32)cc1OC 6075429 SADKOSAIUMNLGG-UHFFFAOYSA-N 413.521 5.435 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2)c2ccncc2)c1C 7277702 LSLXAAHNUACYAT-QHCPKHFHSA-N 413.546 6.214 0 40 HKAB CCOc1ccc(C(=O)Oc2ccc3cc(Br)ccc3c2)cc1OCC 8040219 ITIATQFRTOGOLS-UHFFFAOYSA-N 415.283 5.619 0 40 HKAB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)Nc3c(C)cccc3C)n2n1 8131357 CPGYALHKXZURKJ-UHFFFAOYSA-N 416.550 5.361 0 40 HKAB C[C@@H]1C[C@@H](Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccccc2)C(=O)O1 8276104 TYVBTKKKOGUPTO-OXQOHEQNSA-N 421.566 5.087 0 40 HKAB C[C@H](NCc1ccc(OCc2ccc(Cl)cc2)cc1)C12CC3CC(CC(C3)C1)C2 8497343 PDTMLDVNISRSAQ-REZYEQBDSA-N 410.001 6.614 0 40 HKAB FC(F)(F)c1cccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2)c1 8590014 DXBJYZPFPWUIKL-UHFFFAOYSA-N 406.755 5.172 0 40 HKAB Cc1cccc(Cn2ccc(-c3cccc(OCc4ccc(Cl)cc4Cl)c3)n2)c1 8857180 PDMYJVVWUUTAPG-UHFFFAOYSA-N 423.343 6.793 0 40 HKAB COc1ccc(-c2nc(C)c(-c3ccc(SCc4ccccc4C)nn3)s2)cc1 8875805 GPRFGQQRPSUNMJ-UHFFFAOYSA-N 419.575 6.185 0 40 HKAB Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@H]2CCCO2)cc1C 8915825 RENLEXKAQNALEG-HXUWFJFHSA-N 422.352 5.197 0 40 HKAB O=C(CSc1ncnc2ccccc12)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 9670274 MHAUWSKRRJPTRW-QFIPXVFZSA-N 419.937 5.281 0 40 HKAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2cccc(Cl)c2)c1 11088920 DVWXHGIIIICBTK-QGZVFWFLSA-N 406.913 5.702 0 40 HKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NC(c1ccccc1)c1ccccc1 11463470 UASCROIZFTUNEC-UHFFFAOYSA-N 416.908 5.833 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccc(C)cc3)cs2)cc1 12441881 LYSSFGWDBKZRPX-UHFFFAOYSA-N 418.522 5.264 0 40 HKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)COc4ccccc4Cl)c3)nc2c1 12651151 SWDAFMHESJIODY-UHFFFAOYSA-N 420.896 6.091 0 40 HKAB CCCCN(C(=O)c1cc(C2CC2)nc2c1nc1n2CCCCC1)c1ccccc1 12798993 MSLVXYQREGGNNZ-UHFFFAOYSA-N 402.542 5.482 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)sc2c1CCCC2 13146159 NTFNZDDVHFTDNB-GFCCVEGCSA-N 423.987 5.576 0 40 HKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccc(NC(=O)c2cccs2)c1 13164284 AXZMEXDGADWWQX-UHFFFAOYSA-N 420.490 5.294 0 40 HKAB CCCCCCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 13362211 HHENOUDBWKNPAB-VZDBEYJMSA-N 400.603 6.401 0 40 HKAB CCOc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 13364363 ZXEVRJBLLRBIIS-NRFANRHFSA-N 405.885 5.990 0 40 HKAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3C)n2CC)cc1 13871540 JWFZJJHRJLJWRH-KRWDZBQOSA-N 424.570 5.040 0 40 HKAB C[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1)c1ccccc1 16757564 AVWIIEVBHPJBOH-IBGZPJMESA-N 407.542 6.941 0 40 HKAB Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](C1CCCCC1)O2 17265220 HQHCOJNMGMIBAG-IRLDBZIGSA-N 411.343 5.899 0 40 HKAB Cc1ccc([C@@H](NC(=O)c2ccccc2CCc2ccccc2)c2ccccc2)cc1 20044657 OCVUKNKXZUGCCT-NDEPHWFRSA-N 405.541 6.300 0 40 HKAB CCc1c(C)nc2nc(-c3ccccc3)nn2c1N1CCC(Cc2ccccc2)CC1 20191253 FWNMSQUDGMSUPH-UHFFFAOYSA-N 411.553 5.121 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 20492651 AFPWXDIALFSOJD-UHFFFAOYSA-N 415.533 5.849 0 40 HKAB Cc1ccc(-c2nnc([C@H](C)N3CCN(Cc4ccc(C(C)C)cc4)CC3)o2)cc1 22018978 ZRTHQBUJPPVYMO-FQEVSTJZSA-N 404.558 5.047 0 40 HKAB CCOc1ccc(Nc2cc(C)nc3c(-c4ccccc4)c(C(F)(F)F)nn23)cc1 27585692 UPJOKPILTZHEJR-UHFFFAOYSA-N 412.415 5.866 0 40 HKAB Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccc2)cc1 30862911 SAODBYZRWLWOBB-CYFREDJKSA-N 407.941 5.938 0 40 HKAB Cc1ccc(CNC(=O)[C@@H](C)SCc2coc(-c3ccc(Cl)cc3)n2)cc1 31423908 VSESQWDWYFTGMO-OAHLLOKOSA-N 400.931 5.242 0 40 HKAB Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)CCC1CCCC1 32609878 HTFQQKQXRZGZLS-UHFFFAOYSA-N 410.345 5.752 0 40 HKAB CCn1c(SCc2cccc3ccccc23)nnc1-c1cc(OC)cc(OC)c1 33740688 QKAAYOAZIGSHPO-UHFFFAOYSA-N 405.523 5.428 0 40 HKAB O=C1N/C(=N\c2ccc(Cl)cc2C(F)(F)F)S/C1=C/c1ccc(Cl)cc1 35647425 YSDBNYHTEFBRGJ-VGOFMYFVSA-N 417.239 5.904 0 40 HKAB CC(C)[C@H](SC1=Nc2ccccc2CS1)C(=O)N[C@@H]1CCOc2ccccc21 43030804 NGDABHCJKQXQJS-QUCCMNQESA-N 412.580 5.319 0 40 HKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@H]1c1ccncc1 43193466 BXINOSMBOMEJHZ-OAHLLOKOSA-N 403.326 5.488 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)c(C)c1 44901421 FZJQLGVNVVWOIO-HXUWFJFHSA-N 405.563 5.966 0 40 HKAB O=C(NCc1cccnc1Oc1cccc(F)c1)c1cc(F)c(Cl)cc1Cl 48301402 VKIYPERXLOCBTH-UHFFFAOYSA-N 409.219 5.389 0 40 HKAB CC[C@@H](C)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 57312813 SMTPJQGDLBKNLE-FYPAKXHLSA-N 404.535 5.987 0 40 HKAB Cc1ccc(C)c(N(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)C(C)C)c1 58332139 XAEGWVJGHMNXTL-UHFFFAOYSA-N 421.562 5.333 0 40 HKAB O=C(CNc1cccc(C(F)(F)F)c1)N1CCC[C@H]1c1nc2ccccc2s1 60934865 IKRBOBGTWUKVLK-INIZCTEOSA-N 405.445 5.091 0 40 HKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cccc(F)c3C)oc12 67295833 ROHDUVXFVSTADN-PNHLSOANSA-N 417.440 5.077 0 40 HKAB COc1ccc(C2(C(=O)N3CCC(c4onc5c4CCCC5)CC3)CCCCC2)cc1 72392440 RHBQDERYPZLJRO-UHFFFAOYSA-N 422.569 5.170 0 40 HKAB O=C(c1ccc2ncsc2c1)N1CCC(COCc2ccc(Cl)cc2)CC1 77191566 PGBYBKDFUSWJSK-UHFFFAOYSA-N 400.931 5.019 0 40 HKAB COc1ccc(Cl)cc1NC(=O)N[C@H]1CCC[C@@H](OC(=O)Nc2ccccc2)C1 77200254 BGPUZWIWJWVPIL-DLBZAZTESA-N 417.893 5.030 0 40 HKAB CN(C)C(=O)Nc1ccc(C(=O)Nc2ccccc2SC2CCCC2)c(Cl)c1 89312053 SXEXYLHXHODIQC-UHFFFAOYSA-N 417.962 5.721 0 40 HKAB CC(C)(C)c1ccc([C@@H]2c3sc(=O)[nH]c3SC[C@@H]2C(=O)Nc2ccccc2)cc1 96318927 SQUIFESTTXZYPU-ROUUACIJSA-N 424.591 5.226 0 40 HKAB CCC(CC)C(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2cc(C)no2)CC1 100743798 KWNCXLLNXMRMGI-IZAXUBKRSA-N 412.578 5.390 0 40 HKAB Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 222632109 HUQHWZWJNQMHKX-JDORSLCVSA-N 409.942 5.893 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1cccc(Cl)c1 224151369 GRDHEOMMMTZCRI-UHFFFAOYSA-N 413.926 5.902 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccc(C(C)(C)C)cc1 224182535 MIPZJUOWOLYPRC-UHFFFAOYSA-N 419.521 5.833 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)c1 224247182 XGGGOMUVSQZHKU-DNQXCXABSA-N 411.530 5.827 0 40 HKAB COc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2cccc(C)c2)cc1C(C)C 224457564 YLVWLFKPQMPWEF-VWLOTQADSA-N 423.578 5.503 0 40 HKAB Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 224859348 UKDMQADRSHYFHY-DLBZAZTESA-N 422.362 5.333 0 40 HKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1Cc1ccco1 225009447 DGYPKAKIFRCOBX-DHIUTWEWSA-N 420.582 5.056 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccs2)N1c1ccc(OC2CCCC2)cc1 225360903 HECOVLDMSXXYOV-FGZHOGPDSA-N 421.591 5.642 0 40 HKAB CCc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225591027 PLWUFUPMCCAEAI-MRXNPFEDSA-N 402.941 5.131 0 40 HKAB O=C(c1ccc(-c2cccs2)cc1)N1CCC(N2CCc3sccc3C2)CC1 225689230 RDRDHGPAUNUQAD-UHFFFAOYSA-N 408.592 5.140 0 40 HKAB O=C(NCc1ccnc(-c2ccsc2)c1)c1cc(Br)ccc1Cl 225755980 QAUUTOOFEZESRP-UHFFFAOYSA-N 407.720 5.156 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c2cccnc12 225875986 ZEUBWYISHPUQKU-UHFFFAOYSA-N 422.500 5.240 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(N3Cc4ccccc4C3=O)cc2Cl)cc1 226287817 CUZVHTXAEDEHTA-UHFFFAOYSA-N 418.924 6.050 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)/C=C\c5ccccc5)CC[C@@]43C)[C@H]1CCC2=O 252426431 BHWKXKHBCVBVDP-ABZYFUGNSA-N 418.577 6.144 0 40 HKAB CCOc1cc(CO)ccc1OCc1ccc(OCc2ccccc2)c(OCC)c1 408540367 QVFZUBQKTCMDOQ-UHFFFAOYSA-N 408.494 5.134 0 40 HKAB CCc1s/c(=N\C(=O)c2ccc(C)cc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408561777 LDJNCJUPWCYNFJ-FLFQWRMESA-N 419.377 6.155 0 40 HKAB COc1cccc2cc(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)oc12 408700432 FXLZOLYYWAMENM-UHFFFAOYSA-N 410.322 5.411 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2cccc(Cl)c2)CC1 409019307 QUOGVNARBHXONB-UHFFFAOYSA-N 411.716 5.138 0 40 HKAB CCN1C(=O)S/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O 409068957 SZNNMVSCFLOKDT-OEAKJJBVSA-N 412.514 5.899 0 40 HKAB O=C1Nc2ccccc2S/C1=C\c1ccccc1OCc1ccc(C(=O)O)cc1 409085557 DJNJMOOQABKLHW-BKUYFWCQSA-N 403.459 5.049 0 40 HKAB COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCCOc1ccccc1Cl 409196080 SSEHQXUNQBBULC-NBVRZTHBSA-N 421.880 5.299 0 40 HKAB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3)c(OC)c2)C1=O 409215449 YZTQQZSVEKQCTL-QNGOZBTKSA-N 411.523 5.501 0 40 HKAB Cc1ccsc1[C@H](CO)NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 538888957 YEXREXXRLLJRLA-SFHVURJKSA-N 405.441 5.206 0 40 HKAB CC(C)NC(=O)c1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl 640123 BXHHAVCQBUMWKR-UHFFFAOYSA-N 411.354 5.004 0 40 HKAB COc1ccc(-c2cc(C(=O)NCc3ccc(C)cc3)c3ccccc3n2)cc1OC 996033 HTCWTKAZEIEAQS-UHFFFAOYSA-N 412.489 5.157 0 40 HKAB Cc1cccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCCC4)c1 1254336 JJXAFRWVKDJCEF-UHFFFAOYSA-N 417.534 5.968 0 40 HKAB CN1C(=O)C(c2ccccc2)(c2ccccc2)C(Br)=C1c1ccccc1 1691970 UGPLFSMCWSRALT-UHFFFAOYSA-N 404.307 5.208 0 40 HKAB Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@@H](c2ccccc2)N2CCCC2)c(C)c1 1720219 SMEZXTBXLFSIDO-KAYWLYCHSA-N 413.561 6.347 0 40 HKAB COc1ccc(Oc2c(C)oc3cc(OCc4ccc(C)cc4)ccc3c2=O)cc1 2107376 ZHLVWZKSCYLWJY-UHFFFAOYSA-N 402.446 5.790 0 40 HKAB biogenic Cc1c(CCC(=O)O)c(=O)oc2c(C)c3occ(-c4ccc5ccccc5c4)c3cc12 2137525 HEYYOPXUTIPZBP-UHFFFAOYSA-N 412.441 5.993 0 40 HKAB biogenic CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(C)cc1 2369503 PXBLKWLLBSFBBD-QCDSWUKFSA-N 422.509 6.202 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 2619797 ZPHCHSQEPBSBRE-UHFFFAOYSA-N 403.504 5.009 0 40 HKAB Cc1c(C2=CCCCC2)c2ccccn2c1C(=O)c1ccc(C(=O)c2ccccc2)cc1 3215707 RMXXJVBAOWOSSE-UHFFFAOYSA-N 419.524 6.667 0 40 HKAB Cc1cc(C)c(-c2csc(NC(=O)c3ccc(Br)cc3)n2)c(C)c1 3241527 SPHINBDJLRUQPT-UHFFFAOYSA-N 401.329 5.750 0 40 HKAB CCOc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2cccnc2)cc1 3255022 XXTDTNSFNZSDMQ-UHFFFAOYSA-N 422.941 5.674 0 40 HKAB O=S1(=O)c2ccccc2N[C@H](c2ccc(Cl)cc2Cl)N1Cc1ccccc1 3296169 NFSSHOHMOWQHSU-FQEVSTJZSA-N 419.333 5.309 0 40 HKAB Cc1c(Cl)cccc1-n1c(SCC(=O)c2ccccc2)nnc1-c1ccncc1 3477256 IDCIWDWQNFKNAJ-UHFFFAOYSA-N 420.925 5.266 0 40 HKAB O=C(COc1ccc(F)cc1)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 3655391 OTCWEZPOVPBQEW-UHFFFAOYSA-N 423.827 5.474 0 40 HKAB Cc1ccc(C)c(NC(=O)CN2C(=O)C[C@@H](c3ccco3)Sc3ccccc32)c1 4162804 OPOCQISEHFHUIP-NRFANRHFSA-N 406.507 5.105 0 40 HKAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)c1 4553944 QXWNIFUKJMYFLW-UHFFFAOYSA-N 400.909 6.733 0 40 HKAB C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)CCc1ccccc1 4655288 LQWSQQKTZLDGME-HOMAGXEVSA-N 404.550 5.793 0 40 HKAB in-vitro COc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1 4893279 LNRVQCVFATWQTG-UHFFFAOYSA-N 403.301 5.142 0 40 HKAB CC(=O)NC1(c2ccccc2)CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 4981493 HAWRWDVFXOAXLT-UHFFFAOYSA-N 413.521 5.072 0 40 HKAB Fc1ccccc1C1=NN2[C@H](C1)c1ccccc1OC21CCC(c2ccccc2)CC1 5093543 KMNFFBBZFZKDLA-MFXVKMIXSA-N 412.508 6.423 0 40 HKAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)Nc1ccccc1Cl 5346327 DDEUKFMQZODIKJ-UHFFFAOYSA-N 405.837 5.131 0 40 HKAB COc1ccc(Oc2cncnc2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1 5483136 ZLQYGNIZTLJXJY-UHFFFAOYSA-N 418.424 5.368 0 40 HKAB biogenic CC(C)CCn1c(S)nnc1C(=O)c1cc(-c2ccccc2)nc2ccccc12 5858795 ADJOZUUZJNMJQJ-UHFFFAOYSA-N 402.523 5.059 0 40 HKAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c(C)n1C(C)C 6531918 UIGHCQJTEQDPQC-UHFFFAOYSA-N 408.571 5.178 0 40 HKAB O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCC(Cc2ccccc2)CC1 6829449 ZSZQFVUZLOQCRA-UHFFFAOYSA-N 407.517 5.392 0 40 HKAB Cc1cc(C)c(-c2csc(Cc3ncc(-c4ccc(Cl)cc4)s3)n2)cc1C 6846918 DMGUWWNPOYJQNB-UHFFFAOYSA-N 410.995 7.103 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)cc1 7073012 XRUYQARWXZPMKM-MRXNPFEDSA-N 408.523 5.531 0 40 HKAB CCn1c(SCc2csc(-c3ccc(OC)c(OC)c3)n2)nc2ccccc21 7153842 VTOFVNRYUYMCAW-UHFFFAOYSA-N 411.552 5.489 0 40 HKAB CC[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc(C)cc1 7763786 VLGLMHFTUIJVBH-QGZVFWFLSA-N 412.584 5.010 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 8271003 SASNUDROTSPEOB-UREPRSOHSA-N 405.586 5.143 0 40 HKAB Clc1ccc(COc2ccc(Cl)cc2CNCc2cccnc2)c(Cl)c1 8419374 MMUDTTGMPOMNBM-UHFFFAOYSA-N 407.728 5.911 0 40 HKAB COc1ccc(-c2nnc([C@@H](C)N3CCCCC[C@@H]3c3ccc(OC)cc3)o2)cc1 8920739 UMCNQFZUFPNORF-VGOFRKELSA-N 407.514 5.432 0 40 HKAB CCCn1nc(NC(=O)c2ccc(C(C)(C)C)cc2)c2cc3cc(OC)ccc3nc21 9360943 SXIJHHSFKNAGDP-UHFFFAOYSA-N 416.525 5.553 0 40 HKAB COc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(C)cc1 9428051 ZQTDNAQKGKFZKU-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB Cc1ccc2cc(CN(C(=O)c3cccc(Cl)c3)c3ccccc3C)c(O)nc2c1 9431114 IPTFBNKGZGNTDA-UHFFFAOYSA-N 416.908 6.058 0 40 HKAB Cc1ccccc1C(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cccc(C)c1C 9462073 DVNVTBLXBOSTKQ-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB COc1cccc(CN(C)C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c1OC 9517081 VXLSKQDWUJGFST-GOSISDBHSA-N 404.510 5.273 0 40 HKAB Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)cc1 11614460 ICCBENWFUAGHID-NRFANRHFSA-N 401.849 5.505 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)c(Br)c1 12228687 PFXHSFCFODNPLT-UHFFFAOYSA-N 422.282 5.521 0 40 HKAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1ccc2ccccc2c1 12780981 HSKKSSOPZVATLA-UHFFFAOYSA-N 405.548 5.394 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1Oc1ccc(C)cc1 12822075 YPNCNWOHORHDTB-DEOSSOPVSA-N 412.489 5.690 0 40 HKAB O=c1[nH]c(SCc2ccccc2C(F)(F)F)nc2scc(-c3ccccc3)c12 13062474 RANVNCXETNMTNY-UHFFFAOYSA-N 418.465 5.963 0 40 HKAB CC1=CC(C)(C)N2C(=O)[C@@]3(SCC(=O)N3c3ccc(C)c(C)c3)c3cc(C)cc1c32 14671892 HBFLGNJVSZJSJG-VWLOTQADSA-N 418.562 5.087 0 40 HKAB CCCCOc1cccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)c1 16639351 LSQVITSZGGFFSJ-UHFFFAOYSA-N 419.959 5.255 0 40 HKAB CCn1c2ccccc2c2ccc(NC(=O)c3oc4c(c3C)[C@@H](O)CC(C)(C)C4)cc21 16756773 WEJASCITBBKMDR-NRFANRHFSA-N 416.521 5.974 0 40 HKAB C[C@@H]1CCCCN1c1ccc2cccc(OCC(=O)Nc3cccc(Cl)c3)c2n1 17245334 PYORJBUCPNKLOR-MRXNPFEDSA-N 409.917 5.285 0 40 HKAB CC[C@H](NC(=O)c1sc(-c2ccccn2)nc1C)c1ccc(Br)cc1 17825699 ONMJZLWYPGAQKQ-HNNXBMFYSA-N 416.344 5.157 0 40 HKAB Brc1ccc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)cc1 18208958 LZAFNSUJEVXXHK-LNVKXUELSA-N 407.336 6.201 0 40 HKAB CC(C)CC(=O)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19446421 NQBCDFNGVOYQRV-NRFANRHFSA-N 419.504 5.131 0 40 HKAB COC(=O)c1cc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)ccc1Cl 20050602 LAWOFPOLKWWYME-UHFFFAOYSA-N 418.729 5.305 0 40 HKAB O=C(/C=C/c1cccc(Cl)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20509493 BNAWQOLSAALCEM-CCEZHUSRSA-N 416.952 5.287 0 40 HKAB S=c1[nH]nc(-c2ccccc2)n1NCc1ccccc1OCc1ccc(Cl)cc1 22109964 PATMQHQOTKXIND-UHFFFAOYSA-N 422.941 5.584 0 40 HKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cccc(Br)c1 22245801 KHRUNPALHHJCAE-UHFFFAOYSA-N 406.280 5.349 0 40 HKAB C[C@@H](NC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 33789796 JJHGYKITNHLJFA-DVAHGIKASA-N 420.435 5.441 0 40 HKAB Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2Cc1ccccc1Cl 35400574 NJUGGTMWUJTGEO-UHFFFAOYSA-N 413.908 5.410 0 40 HKAB COc1ccc(/C=C2/S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1 35644521 HGCCSZDLAFUGGD-OVCLIPMQSA-N 412.820 5.259 0 40 HKAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1C 44900164 GIGHBNXXHGQCRC-DEOSSOPVSA-N 421.562 6.092 0 40 HKAB Cc1cccc(N2CCN(C(=O)CSCc3ccc(Cl)c(Cl)c3)CC2)c1C 44904388 XLJUCLKHGQVGFR-UHFFFAOYSA-N 423.409 5.192 0 40 HKAB CCOc1ccc2cc(CNc3ccc(N4C[C@@H](C)C[C@H](C)C4)cc3)c(=O)[nH]c2c1 57718355 PPLMCAKCQLLEBD-ROUUACIJSA-N 405.542 5.021 0 40 HKAB CN(C(=O)c1csc(-c2cccc(Cl)c2)n1)[C@@H](Cc1ccccn1)C(C)(C)C 72306478 DGOINEGDXCMTQU-IBGZPJMESA-N 413.974 5.588 0 40 HKAB O=C(N[C@@H]1CCCc2c1[nH]c1c(Cl)cccc21)C1(c2ccccc2)CCOCC1 96223763 WGJPPDKUBQTVBM-HXUWFJFHSA-N 408.929 5.063 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4ccc(C)cc4N[C@H](c4cccs4)C3=C(O)C2)cc1 100427050 UMPKOJHRSSWJMD-CRICUBBOSA-N 416.546 6.694 0 40 HKAB CCOc1ccc(-c2cnc(NCc3c(F)cccc3Cl)n2C[C@H](C)CC)cc1 199420725 KMWKEWVYZSXGBS-MRXNPFEDSA-N 415.940 6.400 0 40 HKAB Cc1ccc(OC[C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 219265378 XJIZDFQPZIXCOM-FQEVSTJZSA-N 421.562 5.363 0 40 HKAB CCCSc1nnc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)s1 223197703 DLXOASYDUZGUQT-NBVRZTHBSA-N 411.552 5.228 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3cc(C)cc(C)c3)c2)cc1 224533797 JVTKFPNJVQWRBR-UHFFFAOYSA-N 419.521 5.932 0 40 HKAB COc1cccc(NC(=O)c2ccccc2-c2ncc(-c3cccc(OC)c3)o2)c1 224900960 MUOMBGAXBAWIBD-UHFFFAOYSA-N 400.434 5.278 0 40 HKAB CCOc1ccc(CNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225430487 MJVGJQFEMTVPOW-UHFFFAOYSA-N 408.592 5.864 0 40 HKAB COc1cc(C)c(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1C(C)C 225665659 UCIPNOZGNLYTCA-UHFFFAOYSA-N 421.512 5.775 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCC(C)CC1 225720769 HMUHJAGFGCYDRA-JQJXBVGUSA-N 416.606 5.254 0 40 HKAB Cc1ccc(C2(NC(=S)Nc3ccc(Br)c(Cl)c3)CCCC2)cc1 225859724 WVEPOLLZAVJLJJ-UHFFFAOYSA-N 423.807 6.167 0 40 HKAB CCOc1ccc(/C=C2/C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)cc1 253528859 SDDXAJAVPWQDGV-IWROCBFQSA-N 408.626 6.872 0 40 HKAB O=C(O)c1cccc(NCc2ccc(OCc3cccc(Cl)c3)c(Cl)c2)c1 408605313 GFOAEOQQXCJPGL-UHFFFAOYSA-N 402.277 5.883 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2c(C)cccc2CC)cc1OCC 408618270 FLACJECJGOYEFW-UHFFFAOYSA-N 420.347 5.760 0 40 HKAB COc1ccc(OCC(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1 408621112 JTCYQBDQSXAMMC-UHFFFAOYSA-N 402.450 5.138 0 40 HKAB CCCCOc1cccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)c1 408626983 JXKINQRXWUMOAB-UHFFFAOYSA-N 400.478 5.604 0 40 HKAB CCOc1cc(C)c(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1C(C)C 409053129 XQRZCDHMNNIMFW-XKZIYDEJSA-N 409.551 6.062 0 40 HKAB CCc1ccc(C2=NN(C(=O)c3ccc(C(C)(C)C)cc3)[C@](O)(C(F)(F)F)C2)cc1 409108586 VJNIHHILTFWWAR-JOCHJYFZSA-N 418.459 5.048 0 40 HKAB COc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1C 409378918 SGGRKZNGYAFNPW-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB C1CC[C@H]2[C@@H](C1)CC[C@H]1OP(N3CCOCC3)O[C@H]3CC[C@H]4CCCC[C@H]4[C@@H]3[C@H]21 605657970 YEXACWBKUOEFKR-DMPFXXEZSA-N 421.562 5.762 0 40 HKAB CC(C)CNC(=O)C[C@H]1CC2(CCN(CC3CCCCC3)CC2)Oc2ccccc21 1201394106 PQBGRFFZXTYKMH-QFIPXVFZSA-N 412.618 5.130 0 40 HKAB O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1)c1ccc(Cl)cc1 824818 JYBZJGGVCSJWSM-FQEVSTJZSA-N 420.921 5.120 0 40 HKAB CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(C)c(NC(=O)c3ccc(F)cc3)c2)c1C 843505 OUAGODYEPUUEMV-UHFFFAOYSA-N 406.457 5.199 0 40 HKAB O=C1NC2(CCCCC2)Nc2c1sc1c2[C@H](c2ccccc2Cl)CC(O)=N1 1257007 SPDOWDJMIICQCH-LBPRGKRZSA-N 401.919 5.341 0 40 HKAB Cc1ccc2cc(CN(C(=O)Nc3cccc(Cl)c3)C3CCCC3)c(=O)[nH]c2c1 1352742 KLEMTYJZVBBBPS-UHFFFAOYSA-N 409.917 5.467 0 40 HKAB CCOC(=O)c1nnc(-c2ccccc2)nc1Sc1c(Cl)cccc1Cl 1392072 UQVDPGRUAQZNHV-UHFFFAOYSA-N 406.294 5.173 0 40 HKAB CC(=O)Oc1cccc(-c2csc(-n3nc(CC(C)C)cc3C(F)(F)F)n2)c1 1415800 KMBNVCLSSXQBQD-UHFFFAOYSA-N 409.433 5.138 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccc(Cl)cc1 1922798 DHDIZWSEBJTQCA-UHFFFAOYSA-N 417.679 6.707 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 2056888 GHQGDYBKPPNELR-UHFFFAOYSA-N 421.452 5.874 0 40 HKAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccc(OCc2ccccc2)cc1 2248752 DCDZIVSHHQVMMX-CIAFOILYSA-N 424.283 5.917 0 40 HKAB CN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)c1ccc(C(F)(F)F)cc1 2580977 UQEDWFQMSLBDKO-HXUWFJFHSA-N 406.448 5.111 0 40 HKAB COc1cc2c(cc1NC(=O)C1c3ccccc3Oc3ccccc31)oc1ccccc12 2634570 HHZLSBAYTWZBAN-UHFFFAOYSA-N 421.452 6.471 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1sc2ccccc2c1Cl 2645701 WUDHRFLDSPNXRX-UHFFFAOYSA-N 401.915 5.782 0 40 HKAB Fc1ccccc1-c1nnc(SCc2ccccc2Cl)n1C1CCCCC1 3251304 NHCCBXSUPADBDV-UHFFFAOYSA-N 401.938 6.535 0 40 HKAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cnc3ccccc32)cc1 3298879 ZCGXTTDTPYYDBT-UHFFFAOYSA-N 411.383 5.305 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1Nc1ccc(SC(F)F)cc1 3526109 OKVAJGURFBALNS-UHFFFAOYSA-N 422.859 6.790 0 40 HKAB Clc1ccc(/C=C/c2nc3ccc(Oc4ccccc4)cc3c3c2CCS3)cc1 4052170 YCBONHICEOUNQX-XYOKQWHBSA-N 415.945 7.499 0 40 HKAB CC1=C(CC[C@@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]12 4081832 IQDKIMJGXXRZGR-ZJDSFRDUSA-N 416.646 5.698 0 40 HKAB biogenic Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 4122475 UMQFBJFIMGJBBM-RMKNXTFCSA-N 424.287 6.157 0 40 HKAB O=C(/C=C/c1cccs1)N(Cc1cccnc1)c1nc2c(Cl)cccc2s1 4273268 BWTVGNQTWGUXHC-CMDGGOBGSA-N 411.939 5.653 0 40 HKAB Cc1ccsc1C(=O)OCC(=O)Nc1ccc(N(c2ccccc2)C(C)C)cc1 4882307 SILTUSJLWKKYBV-UHFFFAOYSA-N 408.523 5.399 0 40 HKAB CCCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1 5173228 QKPCYCZGCQUOIU-UHFFFAOYSA-N 402.450 5.545 0 40 HKAB Clc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccncc2)cc1 6029718 MOWIIQVVGDSQEO-UHFFFAOYSA-N 406.942 5.708 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(OC)c1OC 6145694 BVNOLCDPALOKNW-WEVVVXLNSA-N 415.795 5.037 0 40 HKAB Cc1ccc(C(=O)Nc2ccc3nc(SCc4ccc(F)cc4)sc3c2)cc1 6274724 XNHKMUZSRZPVBA-UHFFFAOYSA-N 408.523 6.288 0 40 HKAB COc1cc(C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccccc1 6338727 SGFUNSVOCRGAEI-UHFFFAOYSA-N 412.283 5.289 0 40 HKAB CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1cccnc1 6490133 JYECUTQKDLAQNS-UHFFFAOYSA-N 400.507 5.002 0 40 HKAB CCOc1ccc(Oc2ccc(NC(=O)COc3ccc(C(C)=O)cc3)cc2)cc1 6538948 WKMVKANCTUTAJK-UHFFFAOYSA-N 405.450 5.098 0 40 HKAB CSc1nc2ccc(NC(=O)CCCOc3ccc(C(C)=O)cc3)cc2s1 6886511 MLFLNWRMUIKZPC-UHFFFAOYSA-N 400.525 5.019 0 40 HKAB COc1ccc(-c2ccc(C3=NN=C(c4cccnc4)Nc4ccccc43)cc2)cc1 7060294 SJZIKJLIQDUTNM-UHFFFAOYSA-N 404.473 5.382 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)c(C)c1 8368944 CVYBGCDTUUNTSF-UHFFFAOYSA-N 417.559 5.707 0 40 HKAB COc1ccc(NC(=O)c2ccc(CNC(c3ccccc3)c3ccccc3)cc2)cc1 8428336 SULUYONUMMGNBD-UHFFFAOYSA-N 422.528 5.827 0 40 HKAB Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1 8475628 NAZCPWSUUZLQAP-UHFFFAOYSA-N 423.516 5.259 0 40 HKAB Cc1c(C(=O)N(Cc2ccc(Cl)cc2)C[C@H]2CCCO2)oc2ccc(F)cc12 8673496 YOXDKBBHTVWAOF-GOSISDBHSA-N 401.865 5.355 0 40 HKAB S=C(c1cccc(OCc2ccccc2)c1)N1CCC(Cc2ccccc2)CC1 9188327 CPTCQZMTFVKLBB-UHFFFAOYSA-N 401.575 5.896 0 40 HKAB Fc1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 9281639 LQYWKXXDJLYOON-WMZHIEFXSA-N 422.843 5.450 0 40 HKAB CCc1ccc(-c2csc(NC(=O)c3ccc4c(c3)NC(=O)[C@H](C)S4)n2)cc1 9515011 ZGUICSQHBMEWJR-LBPRGKRZSA-N 409.536 5.058 0 40 HKAB Cc1cccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(C(C)C)cc3)cs2)c1 9625538 FMOLTVYYHNMMEL-UHFFFAOYSA-N 408.527 5.400 0 40 HKAB Cc1cc(Nc2ccc(F)cc2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 10493617 BLOKVQGMSYKOFD-UHFFFAOYSA-N 420.797 6.260 0 40 HKAB COC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1 12396039 BEMYQSPUCMTIHN-UHFFFAOYSA-N 401.441 5.199 0 40 HKAB C[C@@H]1CCCCN1C(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 12567327 SMHWDBUXCZSGEF-MRXNPFEDSA-N 422.912 5.113 0 40 HKAB O=C(CNc1ccc(OC(F)F)c(Cl)c1)Nc1ccc(Oc2ccccc2)cc1 12762065 XQWXIAUIQBPQLX-UHFFFAOYSA-N 418.827 5.784 0 40 HKAB Cc1ccc(-c2nc(CC(=O)Nc3ccnn3Cc3cccc(Cl)c3)cs2)cc1 12848526 NKJDGPMVZAKTOF-UHFFFAOYSA-N 422.941 5.198 0 40 HKAB O=C(CCCCc1nc2ccccc2s1)N1CCC[C@H]1c1nc2ccccc2s1 12892411 YHNVQNIQEBHDFR-SFHVURJKSA-N 421.591 5.983 0 40 HKAB Cc1ccc(Sc2ccc(NC(=O)CN[C@@H](C)c3ccc(Cl)cc3)cc2)cc1C 13040187 BEOIHFQIHLMDHT-SFHVURJKSA-N 424.997 6.397 0 40 HKAB COc1cc(/C=C/C(=O)Oc2cc(C)c(Cl)cc2C(C)C)cc(OC)c1OC 13042039 QGPPYXBTSCFMFZ-BQYQJAHWSA-N 404.890 5.416 0 40 HKAB FC(F)(F)c1ccc(Cl)c(NC(=S)N(Cc2ccco2)C[C@@H]2CCCO2)c1 13719923 UFBJEPQPQYRVLY-AWEZNQCLSA-N 418.868 5.330 0 40 HKAB Cc1cc(Cl)c(OCCOc2c(C)ccc3cccnc23)c(Br)c1 14084002 UBVRIVTXBDGNHZ-UHFFFAOYSA-N 406.707 5.725 0 40 HKAB Cc1noc(C(C)C)c1C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 14199767 VFYGRZDNNBRZTA-UHFFFAOYSA-N 415.287 5.914 0 40 HKAB O=C(c1csc(-c2ccc(F)cc2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 14228384 IFODMHRWWJITNA-LJQANCHMSA-N 424.497 5.088 0 40 HKAB Cc1ccccc1[C@H](C)NC(=O)C1CCC(C(=O)N[C@H](C)c2ccccc2C)CC1 15762063 JPWRQPVERZCCDK-FDRBHKFBSA-N 406.570 5.164 0 40 HKAB Clc1ccc(COc2ccc3ccccc3c2CNCc2ccccn2)c(Cl)c1 16526003 AIEVTQMGRFANBX-UHFFFAOYSA-N 423.343 6.410 0 40 HKAB Fc1ccc(C2N(Cc3ccc(Cl)cc3)CCN2Cc2ccc(Cl)cc2)cc1 19320319 IXYKANAPQYEDDP-UHFFFAOYSA-N 415.339 6.149 0 40 HKAB Cc1cccc(CN(Cc2ccccc2)C(=O)c2cc(-c3ccc(F)cc3)no2)n1 19656089 XWWFVPSCQLSGMZ-UHFFFAOYSA-N 401.441 5.027 0 40 HKAB COc1ccccc1-c1cc(-c2nn3c(-c4cccc(C)c4)nnc3s2)c(C)o1 19811705 QGUYNQRUHVAXJG-UHFFFAOYSA-N 402.479 5.405 0 40 HKAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(-c2cccc(Cl)c2)o1 20140187 XBDKVSANEFHNNG-UHFFFAOYSA-N 410.640 5.857 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2cccc(Cl)c2)sc2c1CCCC2 20452963 SMDHEOVWEWLKNA-MRXNPFEDSA-N 421.946 5.253 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCSCc1cccc(Cl)c1 20486006 VNDUPBVEZCNEPI-NRFANRHFSA-N 413.970 5.700 0 40 HKAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)Nc1cccc(Cl)c1Cl 20540731 LPGHYJCMWAFSBZ-UHFFFAOYSA-N 423.731 6.152 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1cccc(OCc2ccccc2)c1 21577044 XTROHRNKLDKIIK-UHFFFAOYSA-N 404.485 5.647 0 40 HKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(Cl)cc4)c3)oc2cc1C 21578716 IWIKINDCJISLKR-YRNVUSSQSA-N 416.908 6.725 0 40 HKAB CCCc1nc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2s1 22255124 VVPCOLDYODIYQQ-UHFFFAOYSA-N 401.340 5.356 0 40 HKAB COc1ccccc1NC(=O)N(C1=NCCCCC1)c1nc(-c2ccccc2)cs1 22756983 KFQRNQXTJCOESA-UHFFFAOYSA-N 420.538 5.830 0 40 HKAB Cc1nc(C(F)(F)F)ccc1C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 24692552 MZQQKZAUXXWTEP-LJQANCHMSA-N 423.438 5.452 0 40 HKAB Cn1cccc1[C@@H]1CCCCCN1C(=O)CCc1ncc(-c2c(F)cccc2F)o1 25712588 NUDJVGDBKUGDMR-IBGZPJMESA-N 413.468 5.035 0 40 HKAB CCOc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1 29508235 VQSIGVSLVOFSNH-UHFFFAOYSA-N 402.425 5.799 0 40 HKAB O=C(COc1ccccc1-c1noc(-c2cccs2)n1)Nc1ccc(Cl)cc1 33325042 LPNUJJHRBSEQJG-UHFFFAOYSA-N 411.870 5.136 0 40 HKAB COc1ccc(CCN2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)cc1 35040568 WCMSVWWYTGBMAJ-GZTJUZNOSA-N 424.374 5.446 0 40 HKAB COc1cccc([C@@H]2SCC(O)=Nc3c2c(C)nn3C)c1OCc1ccccc1C 44901552 MJUWSAFKTPLLNN-QFIPXVFZSA-N 423.538 5.049 0 40 HKAB NC(=O)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@H]2[C@H]1c1ccc(Cl)cc1 51330107 BERCUEVWTKEGAG-HRQWZESXSA-N 400.309 5.669 0 40 HKAB FC(F)(F)c1nc2nccc(-c3ccc(OCc4ccc(Cl)cc4)cc3)n2n1 57531025 ZQYLDMCOOCLIRY-UHFFFAOYSA-N 404.779 5.043 0 40 HKAB Cc1ccc(C(C)C)c(OCCn2cc(C=O)c3cc(Br)ccc32)c1 59109396 SEIUSDSHDATQSH-UHFFFAOYSA-N 400.316 5.727 0 40 HKAB C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4=CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 70691697 QCVKYDNFSXDPSW-JGRBCBRCSA-N 414.630 5.714 0 40 HKAB biogenic O=C(NCc1ccccc1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344100 NAKIEXDXEXODLM-XMMPIXPASA-N 416.565 5.188 0 40 HKAB OC1=C2C(=Nc3ccccc3N[C@H]2c2cccc(O)c2)C[C@H](c2ccc(Cl)cc2)C1 100426859 CFVWLTUWJKRNJS-GKVSMKOHSA-N 416.908 6.675 0 40 HKAB COc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccc(C)cc3)c2c1 100894589 SIMSZTZWNXNAJB-UHFFFAOYSA-N 418.518 5.437 0 40 HKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O 215106895 GRHVVGJDTARGAL-BUESGFEBSA-N 419.905 5.893 0 40 HKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 216315036 QRTOISDWESWCFT-FQEVSTJZSA-N 414.933 5.199 0 40 HKAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 219674197 DKOHWUOSIYQAKS-GOSISDBHSA-N 424.338 5.445 0 40 HKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223352772 GEAHUJGXCIALOD-IERDGZPVSA-N 403.950 5.815 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1Cc1ccccc1 223393676 JJJUDIUMIGTZOE-RPWUZVMVSA-N 416.594 5.561 0 40 HKAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COc1ccccc1C 224378610 KVAYACDEERMDOL-UHFFFAOYSA-N 417.549 6.350 0 40 HKAB O=C(CCc1cccc2ccccc12)Nc1nnc(SCc2ccccc2)s1 224874293 IKYMEZWPMZEKGF-UHFFFAOYSA-N 405.548 5.555 0 40 HKAB CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225703409 QYVDIFAKPIWDKW-OTPAQWSUSA-N 418.622 5.357 0 40 HKAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3-c3ccccc3)ccc21 225709687 CXVQZFJLCZVSOG-UHFFFAOYSA-N 424.547 5.112 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2cccnc12 225863149 IGOITYXIUUKOQN-UHFFFAOYSA-N 408.929 6.126 0 40 HKAB CN(C)Cc1cccc([C@@H]2CCCN2Cc2ccccc2OCc2cccc(F)c2)n1 257223495 DXPFRUKIJGJKHM-VWLOTQADSA-N 419.544 5.198 0 40 HKAB CCOc1ccc(Br)cc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 408554446 CTOCXWRDOBGUJN-QGZVFWFLSA-N 412.736 5.280 0 40 HKAB CCOc1cc(C(=S)NCc2ccc(CC)cc2)ccc1OCc1ccc(F)cc1 408577893 VMCWVKMKDUBPDE-UHFFFAOYSA-N 423.553 5.831 0 40 HKAB Cc1cc(S(=O)(=O)Nc2ccccc2C)ccc1NC(=O)c1ccc(Cl)cc1 408601840 BXDSUAQBAGSLDT-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCOc1ccccc1N(Cc1ccccc1Cl)S(=O)(=O)c1ccccc1 408627652 ODXWXMIPHJWSKL-UHFFFAOYSA-N 401.915 5.134 0 40 HKAB CCOC(=O)c1c(NC(=O)c2cc3c(ccc4ccccc43)o2)sc2c1CCC2 408630107 NSIAWVYSCLLZNX-UHFFFAOYSA-N 405.475 5.565 0 40 HKAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OCC 408679520 NHAYZLCOIZYYML-UHFFFAOYSA-N 424.733 5.245 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2c(C)cccc2C)nc1-c1ccc(Cl)cc1 408699269 VWJOCZMQXBBHLJ-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(Cl)cc2)cc1 408699891 WTPIOUWDEHMBRT-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB COc1cc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)ccc1OC(C)C 408797128 BJIYQZNIDDMKHP-UHFFFAOYSA-N 417.938 5.207 0 40 HKAB COc1ccc(Br)c2c1-c1nc(Nc3ccc(C)cc3)sc1CC2 408886600 KRFMPVRSZFTXAQ-UHFFFAOYSA-N 401.329 5.732 0 40 HKAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 408979115 LKPBYSJFYWVOMY-FQEVSTJZSA-N 413.304 5.493 0 40 HKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)NC(SCc2ccccc2)=N1 408985916 BLMYRQGAZOCLKP-HSZRJFAPSA-N 413.546 5.533 0 40 HKAB COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Cl)c1OCc1cccc(F)c1 409119809 QKXSVZYPZMBOBK-ZDLGFXPLSA-N 409.844 5.559 0 40 HKAB Cc1cccc(NC(=O)COc2ccc(CNc3cccc(Cl)c3)cc2Cl)c1 409376722 AILMYWLXZZEHET-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB CC(C)CN1C(=O)C2(CCN(C3CCCCC3)CC2)C[C@H]1Cc1cccc(F)c1 2037846289 WKUNZVLPECNTKV-HSZRJFAPSA-N 400.582 5.040 0 40 HKAB O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1ccc(Cl)c(Cl)c1 678813 KPLAQJJBWMRTJM-UHFFFAOYSA-N 408.354 5.111 0 40 HKAB Cc1ccc(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1C 1255553 NKZRRWQTFHYFSV-UHFFFAOYSA-N 404.897 5.413 0 40 HKAB COc1cccc(C(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)c1 1378863 DQJAQVQDOKGEFH-UHFFFAOYSA-N 412.580 5.677 0 40 HKAB Cc1ccc(S(=O)(=O)c2cnc(-c3ccccc3)nc2Oc2ccccc2)cc1 1402096 YWNRGZSKJXAIDS-UHFFFAOYSA-N 402.475 5.077 0 40 HKAB O=C(COc1ccc(Oc2ccccc2)cc1)Nc1ccc(SC(F)F)cc1 1473169 XTEOJQXPVSYJGK-UHFFFAOYSA-N 401.434 5.811 0 40 HKAB CCOC(=O)C(=CNc1cc(C)c2[nH]c3ccc(Cl)cc3c2c1C)C(=O)OCC 1610917 WONAIMWCLBEIDF-UHFFFAOYSA-N 414.889 5.013 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 1738578 MKGSRZUYTWXMTC-UHFFFAOYSA-N 412.558 7.027 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc(Cl)c(-c2nc3c(ccc4ccccc43)o2)c1 2050786 FGUVJNAGWYCJPD-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3cccc(F)c3)c3ccc(C)cc32)cc1 2063138 SHQORNKKJCODFH-MHZLTWQESA-N 401.525 6.578 0 40 HKAB COc1ccc(Cn2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1 2249045 YHIXLSRTZQOSMJ-UHFFFAOYSA-N 422.532 6.001 0 40 HKAB CCN(CC)CCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CCCC3 2279497 VQXWYGNBHFCFQG-UHFFFAOYSA-N 421.570 5.132 0 40 HKAB COc1ccccc1[C@@H](CC(=O)NCc1ccccc1)c1ccc(OC(C)C)cc1 2406574 ZIZYVANICUDVDW-DEOSSOPVSA-N 403.522 5.321 0 40 HKAB O=S(=O)(Nc1ccc(-n2cnc(Cl)c2Cl)cc1)c1ccc2ccccc2c1 2562005 UGWJKCTYWDMAQL-UHFFFAOYSA-N 418.305 5.133 0 40 HKAB Cc1c(C)c(C)c(S(=O)(=O)Oc2ccc(C3SCCS3)cc2)c(C)c1C 2570974 UBPZDLPNGDDKBC-UHFFFAOYSA-N 408.610 5.475 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccn(Cc2cccc3ccccc23)n1 2793194 SGYFXYDRNOIWMX-UHFFFAOYSA-N 410.399 5.747 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O 3041678 OGNYIUHCVFUVDT-UHFFFAOYSA-N 407.684 5.109 0 40 HKAB CCCCc1cc(=O)oc2cc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)cc12 3245567 QVQPFUZBCWOZIR-UHFFFAOYSA-N 413.901 5.423 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 3304395 KGGOYWPVZTYNPB-UHFFFAOYSA-N 414.855 5.406 0 40 HKAB O=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccccc1C(F)(F)F 3325012 LDUUMRCNVHNLPT-UHFFFAOYSA-N 414.452 6.337 0 40 HKAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc2ncsc2c1 3340840 SKURAOOFYRXNBV-QHCPKHFHSA-N 412.470 5.559 0 40 HKAB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(C)Cc1ccc(C(F)(F)F)cc1 3384799 GDHARUSSAHRKLV-LLVKDONJSA-N 405.247 5.471 0 40 HKAB O=C(COc1ccc(Oc2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1 4070106 NIBKWYPYTSMNNM-UHFFFAOYSA-N 423.512 6.087 0 40 HKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 4178516 PNXBHXNJZSTLSJ-UHFFFAOYSA-N 421.928 6.088 0 40 HKAB Clc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1c1ccccc1 4199453 OVWFORXRFZTXCE-OAQYLSRUSA-N 411.730 6.458 0 40 HKAB COc1ccc(CNc2ncc(-c3ccc(F)cc3)n2C)cc1OCc1ccccc1 4678626 VQZLJINCPOGLID-UHFFFAOYSA-N 417.484 5.426 0 40 HKAB Brc1cccc(C2=NN3[C@H](c4ccncc4)Oc4ccccc4[C@H]3C2)c1 5163822 WXUWYNJPIHGOLC-CTNGQTDRSA-N 406.283 5.086 0 40 HKAB Oc1cc(OCCCCCCCCCCC2CC2)ccc1-c1nc2ccccc2[nH]1 5532545 AJXLZTHHWJVEIZ-UHFFFAOYSA-N 406.570 7.235 0 40 HKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(Cl)cc1 5685059 YVOBLQIYZYXSFR-UHFFFAOYSA-N 405.906 6.637 0 40 HKAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 6346346 SXOOWCFNBPXDEQ-MDWZMJQESA-N 404.466 5.316 0 40 HKAB CC(C)(C)C1CCC2(CCc3cc4c(-c5ccccc5)cc(=O)oc4cc3O2)CC1 6661361 VFYZAXJZUFGDTG-UHFFFAOYSA-N 402.534 6.760 0 40 HKAB O=c1cc(COc2cccc(Cl)c2Cl)nc2scc(-c3ccccc3)n12 6738855 HWMRDPHFBDXTLN-UHFFFAOYSA-N 403.290 5.309 0 40 HKAB Cc1c(C(=O)c2ccccc2)oc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc12 9659877 LGDIALPMUNQYMS-UHFFFAOYSA-N 411.501 6.522 0 40 HKAB biogenic COc1ccc(-c2noc(CCC(=O)Nc3ccc4oc5ccccc5c4c3)n2)cc1 11328992 HQXYNGTXVOBAKS-UHFFFAOYSA-N 413.433 5.216 0 40 HKAB Cc1nc(/C=C/C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)cs1 11975948 XDUKIMBKWDKFPI-VMPITWQZSA-N 407.467 5.137 0 40 HKAB C[C@@H](CCc1ccco1)NC(=O)Cc1cnc(-c2c(Cl)cccc2Cl)s1 12391146 JRMGJAIGCVXLMF-LBPRGKRZSA-N 409.338 5.390 0 40 HKAB CC(=O)c1sc(-c2ccc(Nc3c(C)nn(-c4ccc(C)cc4)c3C)cc2)nc1C 12600906 OFKLSUHUQIXBLA-UHFFFAOYSA-N 416.550 6.176 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)/C(=C/c1ccco1)n1nnnc1-c1ccccc1 12781466 NZFPESGWYLHEKW-QNGOZBTKSA-N 413.481 5.002 0 40 HKAB CCc1ccc(CN(C)CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 13040288 LAUITICOEQIMLK-UHFFFAOYSA-N 420.940 5.204 0 40 HKAB Cc1nn2c3c(nnc2c1-c1ccc(Cl)cc1)C(=O)C[C@@H](/C=C/c1ccccc1)C3 14607706 JXENGZXVBSWRNV-OZSKJFCKSA-N 414.896 5.212 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(C2SCCS2)c1 16496817 GXDBOGATDXKTIQ-FQEVSTJZSA-N 410.564 5.068 0 40 HKAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Oc2ccccc2)c1 16751059 WPFIBIIDMXKFQY-QHCPKHFHSA-N 411.457 5.541 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(NC(=O)C(C)C)cc3)o2)cc1Cl 17093348 VCJNNWFCCOWTHT-ACCUITESSA-N 422.912 6.155 0 40 HKAB CC(C)c1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 20241741 MUFBQRATIGEXFQ-UHFFFAOYSA-N 413.565 5.385 0 40 HKAB CCOc1ccc(CCCNC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)cc1OC 20484281 TVKJHRPXGKOUIF-OAQYLSRUSA-N 421.990 5.367 0 40 HKAB COc1cccc(CNc2cc(C(=O)O)ccc2Cl)c1OCc1ccccc1F 20880411 GOXBXGYTPVEZIK-UHFFFAOYSA-N 415.848 5.377 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(OC(C)C)c1 21580415 GZOYBWAOQCSWKQ-UHFFFAOYSA-N 401.466 5.278 0 40 HKAB Cc1nc2cc(NC(=O)c3cnn(-c4cccc(Cl)c4)c3C(F)(F)F)ccc2o1 22969104 DLHYXIKECUMOHF-UHFFFAOYSA-N 420.778 5.246 0 40 HKAB Cc1c(/C=C2/NC(=O)N=C2O)c2ccccc2n1Cc1ccc(Cl)cc1Cl 32115631 XJEWHRNGZGPSQV-RQZCQDPDSA-N 400.265 5.325 0 40 HKAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Oc2ccc(Cl)c3ccccc23)c1 32426734 AIVQJNLHHANINF-UHFFFAOYSA-N 409.898 5.328 0 40 HKAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(CN4CCCC[C@@H]4C)c3)cc2)n1 35322619 ZBJFDCXVKWFXPJ-IBGZPJMESA-N 402.542 5.116 0 40 HKAB Cc1cccc2c1CC[C@@H](CN1CCC(c3c(Cl)cccc3Cl)CC1)C[C@@H]2O 38470879 OHRDCQFCAWLDBP-HXOBKFHXSA-N 418.408 6.167 0 40 HKAB CCOc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38834301 YFYHZSBZYVFUND-UHFFFAOYSA-N 407.341 5.243 0 40 HKAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H](c1ccccc1)c1cccs1 39978541 CYPWCURUHWRTHI-NRFANRHFSA-N 421.953 5.474 0 40 HKAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc(C(F)(F)F)cc1 40071859 HYJGOCJJMWAJPB-CYBMUJFWSA-N 422.834 5.824 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(NC(=O)c2cccs2)c1 59294615 JCUJFAMMEYUGHS-WYMLVPIESA-N 414.486 5.912 0 40 HKAB CC(=O)N1N=C(c2ccccc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccsc1 69374847 DQRLUTAAHXEULP-QHCPKHFHSA-N 412.518 5.298 0 40 HKAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 84502172 LVXQEAPJRWUFND-CVEARBPZSA-N 403.429 5.296 0 40 HKAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Oc3ccc(Cl)cc3Cl)cc1)[C@H]1C=C[C@H]2C1 100648086 IWGLTPCLEQVKGS-KFMSBCHRSA-N 400.261 5.097 0 40 HKAB O=C(NCc1ccccn1)c1ccc2c(c1)[C@@H]1[C@H]([C@@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 102732333 NNDAFHZMYZKVOO-PFBLEMDBSA-N 409.533 5.308 0 40 HKAB CC1(C)[C@H]2CCC[C@@]1(CCOC(=O)COc1cc(Cl)c(Cl)cc1Cl)C2 104156194 UEYXQFUTFAEKDZ-HXPMCKFVSA-N 405.749 6.175 0 40 HKAB CCCOc1c(Br)cc(CNc2ccc(F)c(Cl)c2)cc1OCC 106993356 XWGUASYQJNUPKQ-UHFFFAOYSA-N 416.718 6.041 0 40 HKAB CC[C@@H](CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118915295 LGJMUZUPVCAVPU-QUOFONADSA-N 416.734 8.105 0 40 HKAB in-vitro COc1ccccc1CCC1CCN(C(=O)Cc2c(C)[nH]c3c(C)cc(C)cc23)CC1 141535006 UQZSDZVDXRSFTO-UHFFFAOYSA-N 418.581 5.516 0 40 HKAB CC(C)c1ccc(-c2nc(Nc3cccc(Cl)c3Cl)sc2CC(=O)O)cc1 165395400 CVVUSBMVEOVBPN-UHFFFAOYSA-N 421.349 6.611 0 40 HKAB CC(C)(C)OC(=O)N1[C@H](c2ccccc2Br)C[C@]2(C)[C@@H](O)CCCC[C@H]12 218903896 XEIFVCXADPAIJV-NTLWEQJWSA-N 424.379 5.441 0 40 HKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(SCc2ccccc2)s1 222816326 OJZNSJGYFCSTHF-HNNXBMFYSA-N 421.547 5.390 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1C 223075803 QHVNGMNMJIKLOE-UHFFFAOYSA-N 418.924 5.802 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C)c2C)cc1CSc1ccc(Cl)cc1 224346571 NRYAXUMGLBODED-UHFFFAOYSA-N 411.954 6.510 0 40 HKAB CSc1nnc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)s1 225431728 YSPUPEFRTOBDFH-UHFFFAOYSA-N 407.973 5.458 0 40 HKAB O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(N2CCc3sccc3C2)CC1 225689004 BJLGJQUJVYEJFL-UHFFFAOYSA-N 420.553 5.217 0 40 HKAB O=C(O)c1cc(NC(=S)Nc2ccccc2)cc(NC(=S)Nc2ccccc2)c1 226346008 YQRZDCUKQPQNCM-UHFFFAOYSA-N 422.535 5.003 0 40 HKAB COc1ccc(N)cc1NC(=O)c1ccc(-c2ccc(Br)cc2Cl)o1 226765750 HVYAVKIEUXSRHD-UHFFFAOYSA-N 421.678 5.206 0 40 HKAB Fc1ccc(COc2cccc(C(=S)N3CCC(Cc4ccccc4)CC3)c2)cc1 408572037 DXFNHJACRPAUHA-UHFFFAOYSA-N 419.565 6.035 0 40 HKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 408679522 NIHLHTIXQXUVRP-PMACEKPBSA-N 416.521 5.200 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)cc1Cl 408696978 DAYDXTOYYCUPJN-UHFFFAOYSA-N 423.303 5.802 0 40 HKAB Cc1ccc(NC(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1 408978227 LPLXSVZBVPGBAP-UHFFFAOYSA-N 417.472 5.315 0 40 HKAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccc(C(C)(C)C)cc4)cc3n2)cc1 409034323 QGSMRYXTQOLBBF-UHFFFAOYSA-N 409.455 6.688 0 40 HKAB COCCN1C(=O)S/C(=C/c2cccc(OCc3cccc4ccccc34)c2)C1=O 409209788 IDKQHCYPEMHMBN-PXLXIMEGSA-N 419.502 5.102 0 40 HKAB Cc1cc(O)nc2cc(NC(=O)C[C@H](c3ccc(Cl)cc3)n3cccc3)ccc12 524734123 ZDIDNPZKSVDHDE-OAQYLSRUSA-N 405.885 5.322 0 40 HKAB CC(C)Cn1nc(-c2cc(C(C)(C)C)ccc2OCC(=O)O)cc1-c1ccc(F)cc1 2037872771 NZFRIUJRPZOFAM-UHFFFAOYSA-N 424.516 5.773 0 40 HKAB Cc1cc(C)c(OCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c(Br)c1 1104810 FVFGKZUIODSCFF-UHFFFAOYSA-N 422.322 5.655 0 40 HKAB Cc1cccc(C(=O)N2CCc3cc(-c4csc(NC(=O)C5CCC5)n4)ccc32)c1 1355768 RNMLJZOBKOWYFQ-UHFFFAOYSA-N 417.534 5.060 0 40 HKAB C=CC(=O)Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 1628802 XVWJGTLUIRCHGF-UHFFFAOYSA-N 405.501 6.148 0 40 HKAB CN(C)CCOc1ccc(N[C@@H]2c3ccccc3CSc3ccc(Cl)cc32)cc1 2049815 HVCBOHOLCYKAES-XMMPIXPASA-N 424.997 6.088 0 40 HKAB CCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(CC)cc2)nc2ccccc12 2083817 LDYVUKXNVXJUSD-UHFFFAOYSA-N 424.500 5.893 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccnc3Cl)c2C(=O)OC)C1 2085651 INPFVBPCXMBELD-GFCCVEGCSA-N 420.962 5.377 0 40 HKAB Cc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1C 2093914 ZRFRSLJTBIOQDX-UHFFFAOYSA-N 403.478 5.653 0 40 HKAB biogenic CC[C@](C)(CCNC(=O)C[C@@H](c1ccc(OC(C)C)cc1)C(C)C)c1ccccc1 2370742 GZOKPKAHBBDHGC-XNMGPUDCSA-N 409.614 6.478 0 40 HKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 2887572 OKHNTDJNAJLZMW-UHFFFAOYSA-N 406.338 5.400 0 40 HKAB CCCCOc1ccc(-c2nc(-c3ccc(C4CCC(CCC)CC4)cc3)no2)cc1 3022818 FYGCYJIIDBHTSW-UHFFFAOYSA-N 418.581 7.656 0 40 HKAB Cc1ccc(COC(=O)C(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1 3261330 FMLSFULWHUNBKT-UHFFFAOYSA-N 417.288 5.829 0 40 HKAB COc1ccc(OC)c(C(=O)CSc2nc(-c3ccccc3)nc3ccccc23)c1 4161682 JWFBMOYQAJSUTG-UHFFFAOYSA-N 416.502 5.289 0 40 HKAB COc1ccc(/C=C/C2=NN(c3ccc(Cl)cc3)[C@H](c3ccccc3OC)C2)cc1 4314549 BMPYYVMSGIDQLG-SZIFGRNDSA-N 418.924 6.378 0 40 HKAB Clc1ccc(N2N=C(c3cccs3)C[C@H]2c2ccc(Cl)cc2Cl)cc1 4578207 XVQRQLSFXRAEAQ-SFHVURJKSA-N 407.753 7.064 0 40 HKAB Clc1ccc(-c2[nH]ncc2CN2CCC(Cc3ccccc3)CC2)c(Cl)c1 4678740 ODGMYCKRVHQEAV-UHFFFAOYSA-N 400.353 5.838 0 40 HKAB COc1ccc(Cc2nc3c4c5c(sc4ncn3n2)C[C@@H](C(C)(C)C)CC5)cc1 5561560 INOCNEWIVUFJOL-HNNXBMFYSA-N 406.555 5.089 0 40 HKAB CC(C)C(=O)NCCSc1c(-c2ccc(Br)cc2)[nH]c2ccccc12 6693135 DYKNNCFLJWTPSB-UHFFFAOYSA-N 417.372 5.462 0 40 HKAB O=C1N/C(=C/c2ccc(N3CCCC3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1 7098403 MHLZYWAOGVTWRF-RCCKNPSSSA-N 417.896 5.191 0 40 HKAB COc1ccccc1N(CC(=O)c1ccc(-c2ccccc2)cc1)C1=NCCCCC1 7276449 KGSHDSJDEJHMJK-UHFFFAOYSA-N 412.533 6.024 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1C 8041589 XGZRAIANLHTLAW-OAHLLOKOSA-N 412.382 5.427 0 40 HKAB COc1ccccc1O[C@H](C)C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 8586742 ISLMZXCSUWBDJZ-OAHLLOKOSA-N 404.491 5.378 0 40 HKAB CC[C@@H](c1ccccc1)c1nnc(NC(=O)c2cccc(Br)c2)s1 9168672 MBJVESJFAGQJTK-HNNXBMFYSA-N 402.317 5.095 0 40 HKAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cccc(OCC(C)C)c2)cs1 9669481 KDGYLZYHLRVYDN-UHFFFAOYSA-N 424.522 5.220 0 40 HKAB O=C(NC[C@@H](c1cccs1)c1c[nH]c2ccccc12)N1CCc2sccc2C1 10490079 AXCQGUBLJBVERO-GOSISDBHSA-N 407.564 5.191 0 40 HKAB Cc1ccc2cc(/C=C3/C(=O)Nc4ccc(Cl)cc43)c(N3CCCCC3)nc2c1 12532434 YJWWVLUXCSCJPP-DEDYPNTBSA-N 403.913 5.680 0 40 HKAB CC[C@H](C)[C@H](C(=O)OCC(=O)c1ccc(NC(=O)C(C)(C)C)cc1)c1ccccc1 12815978 LWNBBPLAEOEZHK-JTSKRJEESA-N 409.526 5.227 0 40 HKAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)Cc3cccc(F)c3)cc2)o1 12873516 NLIOZIUMXKBEHD-UHFFFAOYSA-N 401.441 5.123 0 40 HKAB CCC(=O)Nc1ccc(-c2nc(-c3ccc(CC[C@@H](C)NC(C)=O)cc3)cs2)cc1 12894630 GYXPPILYBQQKSO-MRXNPFEDSA-N 421.566 5.283 0 40 HKAB O=C(Nc1cc(Cl)ccc1-n1cncn1)[C@@H](Sc1ccccc1)c1ccccc1 13018296 YPIYMOKJEQPGCW-NRFANRHFSA-N 420.925 5.393 0 40 HKAB COc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1OC 14083267 SSOYRYCRSUBNIX-UHFFFAOYSA-N 410.326 5.098 0 40 HKAB COc1cc(CN(C)C(=O)c2ccc(Oc3ccccc3)cc2)ccc1OC(F)F 15462830 LDLWVCIZOAJFSO-UHFFFAOYSA-N 413.420 5.361 0 40 HKAB COc1ccc(C(=O)C[C@H](Sc2cccc(Cl)c2Cl)c2ccccc2)cc1 16216227 DZNTZOPJZLZLGS-NRFANRHFSA-N 417.357 7.108 0 40 HKAB CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccccc5C)oc4C)ccn3n2)cc1 16840091 PZKPOBYXEWRSEJ-UHFFFAOYSA-N 424.504 5.046 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1nc2c(Cl)cccc2s1 17087851 ULWGAPXUUNAURU-RMKNXTFCSA-N 408.335 5.130 0 40 HKAB Cc1ccc2nc(-c3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)oc2c1 17091363 QPMLXRRLHOKZBV-UHFFFAOYSA-N 418.321 5.751 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 17091787 UUEORWWOVHRHKR-GFCCVEGCSA-N 419.365 6.255 0 40 HKAB COc1ccc([C@H](NC(=O)C=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 17193738 WXMDTTFMEOKTPQ-GDLZYMKVSA-N 419.524 6.033 0 40 HKAB Cn1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c2ccccc21 18190561 YCOKRHIYPQDDJR-NVMNQCDNSA-N 400.862 5.207 0 40 HKAB C[C@H]1CC[C@@H]2C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 18247239 GHQBARKLLMRQPO-FASAQXTFSA-N 414.299 5.167 0 40 HKAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(CCc1cccc(F)c1)CO2 20609832 FINLSACHLVHTCV-UHFFFAOYSA-N 415.464 5.302 0 40 HKAB biogenic O=C(Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1)c1ccc(Br)o1 20716470 JNWREJSWTMPTAE-UHFFFAOYSA-N 418.634 5.151 0 40 HKAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1cc(C)cc(C)c1 21787486 GBSJCHNYQXWLQQ-DEOSSOPVSA-N 405.542 5.196 0 40 HKAB COc1ccc(-c2cc(CN3CCc4sccc4[C@H]3c3cccs3)on2)cc1 22096329 NPRLFHNBHSDLLW-QFIPXVFZSA-N 408.548 5.621 0 40 HKAB CCc1nc2ccc(C(=O)N(C)[C@H](C)c3nc4ccccc4s3)cc2nc1CC 23326183 NTLGXMAYVZWUBT-CQSZACIVSA-N 404.539 5.198 0 40 HKAB CCCCC1CCC(C(=O)NCCc2csc(-c3ccc(OC)cc3)n2)CC1 27993774 ZFBLJGUYZIDOCP-UHFFFAOYSA-N 400.588 5.474 0 40 HKAB CCN(CC)[C@H](CNC(=O)/C=C/c1ccc(OC)cc1)c1ccc(C(C)(C)C)cc1 28290593 UCDKATAIKNUSKO-CNAUTRJHSA-N 408.586 5.205 0 40 HKAB Cc1c(C)n(C[C@@H](O)CN(C2CCCCC2)C2CCCCC2)c2c(Cl)cccc12 28296772 TZOSLVCCACACBL-JOCHJYFZSA-N 417.037 6.240 0 40 HKAB COc1ccccc1-c1cc(C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)no1 30035374 KNENJBVJKCWRHG-UHFFFAOYSA-N 419.506 5.651 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 30941396 KYKMLZGHJJVSAM-HXUWFJFHSA-N 404.485 5.469 0 40 HKAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 31904057 VAOSECPDRNKYGI-UHFFFAOYSA-N 423.578 5.518 0 40 HKAB Cc1ccc(OCc2nnc(NC(=O)c3ccc(-c4ccccc4F)o3)s2)cc1 32502375 PFNGJMZEOZMITA-UHFFFAOYSA-N 409.442 5.077 0 40 HKAB O=C(c1ccc(Br)cc1)N(Cc1ccc(Br)cc1)C1CC1 32796510 VJZLAMSTAIMPEC-UHFFFAOYSA-N 409.121 5.016 0 40 HKAB CC(=O)N1CC=C(c2ccc(Oc3nc(-c4cccnc4)nc4ccccc34)cc2)CC1 32853513 LBOJHSZJDFHOHC-UHFFFAOYSA-N 422.488 5.120 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)c(OC)c1 36014935 ZKTJWMYGKDYXGS-UHFFFAOYSA-N 424.909 5.886 0 40 HKAB Cc1ccc(NC(=O)c2cccc3ccccc23)cc1NS(=O)(=O)c1ccccc1 36397445 GSEOFXZRENSQCY-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB CCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cccc(C(F)(F)F)c1 41076945 VRTTZMFIQQAZNG-UHFFFAOYSA-N 417.431 5.218 0 40 HKAB O=C(COc1ccccc1Cl)Nc1ccc(NC(=O)c2ccccc2Cl)cc1 41091591 WREJQSQFUVPKNM-UHFFFAOYSA-N 415.276 5.263 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(F)ccc2C)cc1 67297718 DIBCUIDABCRBAY-PNHLSOANSA-N 402.425 5.374 0 40 HKAB COc1ccc(NC2=NC(=O)S/C2=C\c2ccc(OCc3ccccn3)cc2)cc1 71288134 CVBJJFCZWWUQOE-STZFKDTASA-N 417.490 5.388 0 40 HKAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72214985 ITGYNCJXAVRZHJ-NRFANRHFSA-N 423.557 5.601 0 40 HKAB Cc1ncsc1C(=O)N1CCC(c2cccc(Cc3ccc(Cl)cc3)n2)CC1 72349867 DSJMALGGNKDUOR-UHFFFAOYSA-N 411.958 5.111 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@H](C)Sc3ccc(C(F)(F)F)cc32)c1C 84007884 JIQFTIGLIIHFOK-JTQLQIEISA-N 410.461 5.384 0 40 HKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 95871199 BVVFRHKBULZQCQ-KWMXJCMHSA-N 414.718 8.313 0 40 HKAB COc1cc([C@@H]2CC(c3cccs3)=NN2C(C)=O)ccc1OCc1ccccc1 96136991 YDBGKQAJTOSWRX-FQEVSTJZSA-N 406.507 5.033 0 40 HKAB CCCOc1ccc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc1OC 102482981 RLTAQGGXOWFWBX-XMMPIXPASA-N 406.526 6.355 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@H](C)SCc2ccccc2)sc2c1CCCC2 103795367 IKZKAVPOJGQDAV-AWEZNQCLSA-N 403.569 5.064 0 40 HKAB Cc1cc(OCC(=O)Nc2nnc(SCc3ccccc3)s2)cc(C)c1Cl 223703459 USEPQOPNNLZXOS-UHFFFAOYSA-N 419.959 5.118 0 40 HKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1nnc(SCc2ccccc2)s1 223773118 SAUUZJZKRBCAHQ-OAHLLOKOSA-N 419.959 5.280 0 40 HKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccccc1Cl 224131975 QBLFXDMXQCEETO-UHFFFAOYSA-N 416.304 5.511 0 40 HKAB Cc1cc(NC(=O)CSCc2ccc(Cl)cc2F)ccc1Br 224178134 QTJFNYHDBWMSCY-UHFFFAOYSA-N 402.716 5.422 0 40 HKAB O=C(CCSCc1ccccc1)Nc1nnc(SCc2ccccc2)s1 224241707 YUOYGKOBESHHIU-UHFFFAOYSA-N 401.582 5.092 0 40 HKAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1CSc1ccccc1 224328078 HJEZKMYAKTWODL-UHFFFAOYSA-N 406.507 5.198 0 40 HKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)cc1 224328433 BXFDONQDSCLSBS-BJKOFHAPSA-N 416.594 5.574 0 40 HKAB O=C(NCCc1ccc(Cl)cc1)c1ccc(OCCSc2ccccc2)cc1 224379929 PJOTVWUARIQCRC-UHFFFAOYSA-N 411.954 5.484 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccccc1Cl 224475624 OEAQLSRSFBMJKK-KRWDZBQOSA-N 409.913 5.809 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1CSc1ccccc1 224651892 VJRCSWGIMUNZEF-UHFFFAOYSA-N 411.954 6.592 0 40 HKAB CCOc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1 224901068 BFVZVYQJABRYMB-UHFFFAOYSA-N 414.461 5.668 0 40 HKAB O=C(CCc1ccc(Cl)cc1)NCCSCc1ccc(Cl)c(Cl)c1 225303301 VCZMBRURAPKKCU-UHFFFAOYSA-N 402.774 5.629 0 40 HKAB CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 225534519 GPDNZFCRLGCGNC-UHFFFAOYSA-N 408.586 5.638 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3F)c2)cc1 225589843 MKYZUQDYLPIITI-UHFFFAOYSA-N 424.903 6.281 0 40 HKAB CC(C)(Cc1ccccc1)NC(=O)c1ccc(OCCSc2ccccc2)cc1 225704568 DSFGQPXHNVTBAU-UHFFFAOYSA-N 405.563 5.609 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCN3CCCCCC3)cc2)CCCCCC1 225711404 BBLJENSZOWTAQE-UHFFFAOYSA-N 402.579 5.009 0 40 HKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225824208 VPHYMKDWJVGXHI-HXUWFJFHSA-N 413.602 6.823 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2cccnc12 225876466 GJMAMLTWRUXDCQ-UHFFFAOYSA-N 424.928 5.362 0 40 HKAB Cc1cccnc1Nc1ccc([C@H]2CCCCN2Cc2ccc3nccnc3c2)cn1 257263242 LOZWIEAPNFUMAI-HSZRJFAPSA-N 410.525 5.199 0 40 HKAB CC(C)[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO[C@@H]1c1cccc(Cl)c1 257321109 WACNNDPADWARLV-WOJBJXKFSA-N 407.982 6.091 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408639373 FWEYXKRUTKVEBR-VIFPVBQESA-N 418.107 5.292 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(F)cc2)nc1-c1ccc(Cl)cc1 408695095 OUERPHWOAFNRPQ-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB COc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cc(C)ccc3C)n2)cc1 408695465 QQQWAPFVTZJQNS-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)cc3)n2)cc1 408695647 RTXXRGBNHHGQMT-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccccc2)o1 409004402 AYXYDXOQGHTNPE-NSHDSACASA-N 424.309 5.247 0 40 HKAB COc1ccc2ccc(OC)c(/C=C3\SC(=O)N(c4ccccc4OC)C3=O)c2c1 409061233 YHAMGBDLFMDWCY-BKUYFWCQSA-N 421.474 5.107 0 40 HKAB Cc1cc(=O)c2c(o1)O[C@@]1(C)CC[C@H]3[C@@](C)(CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]43C)[C@@H]1C2 2048392547 PSHUZQHBLAPAMD-KFCOXGNHSA-N 414.586 5.272 0 40 HKAB CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1ccc(OCC)cc1 645440 CDBGMDYEACVXHX-UHFFFAOYSA-N 415.287 5.316 0 40 HKAB O=C(c1ccccc1Cl)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1 712316 KNXNUTZHXPZENR-HSZRJFAPSA-N 421.327 6.263 0 40 HKAB Cc1ccc(C)c(Oc2coc3cc(O[C@@H](C)C(=O)OCC(C)C)ccc3c2=O)c1 948955 MDODMCFWNLIIQK-KRWDZBQOSA-N 410.466 5.169 0 40 HKAB CC(C)c1nc(SCC(=O)NCc2ccccc2)c2c3c(sc2n1)CCCC3 1377457 YKMXYNBEDQTGMJ-UHFFFAOYSA-N 411.596 5.102 0 40 HKAB Cc1cccc(-n2c(=O)c3c4c(sc3n3c(SCCC(C)C)nnc23)CCC4)c1 1784747 MUZKBKQTOYXAQF-UHFFFAOYSA-N 424.595 5.030 0 40 HKAB O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1CNc1cccc(C(F)(F)F)c1 2120272 YGPQHJNGRXLHOE-BAGULLTOSA-N 404.413 5.368 0 40 HKAB O=C(COc1ccc2ccccc2c1Br)Oc1cccc2ccccc12 2134658 NXEDGKDENSQMPE-UHFFFAOYSA-N 407.263 5.740 0 40 HKAB CC(C)(C)c1cc(-c2cc(-c3ccccc3)nn2-c2ccccc2)cc(C(C)(C)C)c1O 2253049 HUBYERZKIYEDRD-UHFFFAOYSA-N 424.588 7.507 0 40 HKAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c1 2623782 SQOGIQSZVMWBEO-UHFFFAOYSA-N 403.507 5.178 0 40 HKAB O=C1c2ccccc2N[C@H](/C=C/c2ccccc2)N1c1ccc(Br)cc1 2745324 BDWQCZKQIKEZCV-VPFXQZGESA-N 405.295 5.561 0 40 HKAB O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1Cc1cccs1 2970580 ZPZKYJCYKOEESB-UHFFFAOYSA-N 416.930 5.591 0 40 HKAB Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3219457 SJHSEEGAHUFHFO-UHFFFAOYSA-N 414.288 5.764 0 40 HKAB O=C(c1cnccn1)N(c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2s1 3338522 FEOKFEUZUIIHKH-UHFFFAOYSA-N 424.485 5.857 0 40 HKAB COc1ccc(C2=C[C@H](c3ccccc3)[C@@H]3CCCC[C@]34Nc3ccccc3N24)cc1 3999119 VCIWUKDDAJEZBS-FMGHJNRGSA-N 408.545 6.652 0 40 HKAB biogenic O=C1C[C@@H](c2nc3ccccc3n2CCCc2ccccc2)CN1Cc1ccccc1 4033515 GWDYIVBVHIMSBR-HSZRJFAPSA-N 409.533 5.185 0 40 HKAB COc1ccc(/C=C/C2=NN(c3ccc(Cl)cc3)[C@@H](c3ccccc3OC)C2)cc1 4314551 BMPYYVMSGIDQLG-KGUVVTLUSA-N 418.924 6.378 0 40 HKAB Cc1ccc(NC(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)c(C)c1 4659858 NBPVPGVRIGEVPI-UHFFFAOYSA-N 408.885 5.227 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1 4893834 CFNSRXUQSCKDQG-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB Cc1nn2c(NCCc3ccccc3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 5557171 RAPBYPJVGVBJQO-UHFFFAOYSA-N 418.972 6.310 0 40 HKAB CC[C@@H](OC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1)C(=O)c1ccccc1 5875745 SYCFTXXLGNVWEF-JOCHJYFZSA-N 401.462 5.066 0 40 HKAB O=C(NC(=S)N(c1ccccc1)c1ccc2ccccc2c1)c1ccccc1Cl 6080111 HSSIQUPKMIAPNE-UHFFFAOYSA-N 416.933 6.346 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nc5ncccc5o4)cc3)o2)cc1C 6267350 MWZVOXLLVAESTQ-UHFFFAOYSA-N 409.445 6.019 0 40 HKAB CCOc1ccc(CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1OCC 6508920 LJSTWINHWSSBLT-UHFFFAOYSA-N 421.522 5.617 0 40 HKAB CCOc1cccc(C(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)c1 8198240 PEZZTNDPSVJGEV-KRWDZBQOSA-N 414.505 6.659 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1 8339008 CJWPFFYORGDRHV-UHFFFAOYSA-N 405.498 5.113 0 40 HKAB N#C[C@@H](C(=O)c1ccc(Cl)nc1)c1nc(-c2ccc(Br)cc2)cs1 9090503 GXEDRZWFHTXSJI-ZDUSSCGKSA-N 418.703 5.111 0 40 HKAB O=C(Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)c1ccccc1F 9366634 WQVDISCSEXIKGW-UHFFFAOYSA-N 413.421 5.241 0 40 HKAB Clc1cccc(Nc2nc(NC3CCCC3)nc3c2cnn3-c2ccccc2)c1 9622561 OFVQQVONYLNMHR-UHFFFAOYSA-N 404.905 5.567 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(Cl)c3)c2C)cc1 10359877 CWLZXSNJSCBBCJ-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB C[C@@H](Sc1nnc(-c2ccc(Br)cc2)o1)C(=O)c1ccc(Cl)cc1 12499829 POSRRRADYBVANW-SNVBAGLBSA-N 423.719 5.516 0 40 HKAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1ccc(F)cc1Cl 12921601 MCHRXVVSIIUUKQ-UHFFFAOYSA-N 411.285 5.349 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 13407560 VUCDSTCRVYGRSG-PCIWMJJESA-N 400.647 6.568 0 40 HKAB Cc1cccc(NC(=O)c2nnc3c(-c4cccc5ccccc45)c(C)nn3c2C)c1 13635723 YRZJIWNQCSBRJW-UHFFFAOYSA-N 407.477 5.122 0 40 HKAB O=c1[nH]c(-c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2sc3c(c12)CCCC3 13898152 OUMOCIQETVDWBJ-UHFFFAOYSA-N 417.317 6.097 0 40 HKAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2cc(Cl)ccc2Cl)n1 14595482 YMDRAIPEJFXEND-UHFFFAOYSA-N 402.306 6.159 0 40 HKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 17089091 UPFASESNDBSLOG-UHFFFAOYSA-N 412.276 5.798 0 40 HKAB COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(OC)c1 17091326 WHSPSOFIXHBYRT-UXBLZVDNSA-N 418.276 5.923 0 40 HKAB COc1cccc(Cc2ccc([C@@H]3CCCN3Cc3c(C)nn(C(C)C)c3C)nc2)c1 19688532 XDFCVRFQUAKTOQ-SANMLTNESA-N 418.585 5.412 0 40 HKAB O=C(Cc1ccc(Br)cc1)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20137198 YZZLLBJFJUCGSG-UHFFFAOYSA-N 420.690 5.036 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1 20484846 YCLHKCWNAYNURX-PKTZIBPZSA-N 409.982 6.425 0 40 HKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccccc1Oc1ccccc1 22245499 BSYJKPYMHWAMKQ-UHFFFAOYSA-N 415.518 6.264 0 40 HKAB COc1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1OC 29564918 OTTSPHRRGDWGRU-UHFFFAOYSA-N 420.490 5.390 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4c(F)cccc4F)cc3)n2)cc1 32578900 LCWDCPGUVIPKEO-UHFFFAOYSA-N 421.403 5.008 0 40 HKAB O=[S@](Cc1coc(-c2cccc(Cl)c2)n1)C(c1ccccc1)c1ccccc1 32801011 SKPBQWDCEPNRSI-NDEPHWFRSA-N 407.922 6.033 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nc5ccccc5s4)c3)o2)cc1C 33860495 JYJUDYVIZJUSFV-UHFFFAOYSA-N 424.525 7.092 0 40 HKAB O=C(c1ccccc1)[C@H](Sc1ccccc1[N+](=O)[O-])c1nc2ccccc2s1 35426789 WKYHYKCLVUVGAB-FQEVSTJZSA-N 406.488 5.921 0 40 HKAB CCc1nn2c(ncc3c(=O)n([C@H]4CCCC[C@@H]4C)ccc32)c1-c1ccc(F)cc1 40396758 DKRIOYMDFQIBNG-YWZLYKJASA-N 404.489 5.164 0 40 HKAB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1C 44859788 UHIHOVULDKTSIK-XMMPIXPASA-N 424.504 5.281 0 40 HKAB COc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 44933215 SXZKXDFBHYQWDL-HNNXBMFYSA-N 421.368 5.091 0 40 HKAB Cc1cc2nc(N)sc2c(C)c1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 45890422 GPMSACMVJWOZGQ-SNVBAGLBSA-N 410.326 5.208 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(F)ccc1F 49005087 WHRKXRASDVSZPX-INIZCTEOSA-N 410.468 5.365 0 40 HKAB Brc1ccc(-c2nc(NCCc3ccccc3)c3ccccc3n2)cc1 51330977 JYSDIIZJVIJHRB-UHFFFAOYSA-N 404.311 5.714 0 40 HKAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(N4C[C@@H](C)C[C@@H](C)C4)cc3)cc2c1 57718398 CXUUXRNIKSHXFZ-HDICACEKSA-N 405.542 5.021 0 40 HKAB Cc1oc(-c2ccccc2)nc1CC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 65491257 CXGZBJUJXGUCGC-UHFFFAOYSA-N 403.309 5.551 0 40 HKAB O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)C(Cl)(Cl)Cl 70462060 JBNBEYOGGVBKON-UHFFFAOYSA-N 406.052 5.163 0 40 HKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 72215095 QJCVYZGPSKUYCK-KNQAVFIVSA-N 409.574 5.959 0 40 HKAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1Cc1ccccc1)C1CCC1 72215529 QGRMGSCLAUZESC-HSZRJFAPSA-N 421.585 6.103 0 40 HKAB COc1ccc2oc(-c3cccc(NC(=O)COc4ccccc4C)c3C)nc2c1 72260287 TWGFENSOZZGRJR-UHFFFAOYSA-N 402.450 5.138 0 40 HKAB Cc1ccc2c(-c3ccccc3)cc(-c3ccc(NC(=O)CN4CCCC4)cc3)nc2c1 79060675 ZLVBAVCWYKKQCU-UHFFFAOYSA-N 421.544 5.912 0 40 HKAB CN1[C@H]2CC[C@@H]1CC(N(CCc1ccccc1)C(=O)c1ccc(-c3ccccc3)cc1)C2 100932572 BFLBFVLHPMIIAT-FITHBNAOSA-N 424.588 5.664 0 40 HKAB CCCC/C=C\[C@H]1C=C[C@@H](CCCCCCCC(=O)OCC)[C@@H](C(=O)OCC)C1 104044532 MGASPNORXQCYDN-DKUDGFGBSA-N 406.607 6.398 0 40 HKAB O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1Cc1ccc(Br)cc1 106724669 YIPPRCHABRZDGQ-DHDCSXOGSA-N 408.704 5.339 0 40 HKAB CCOc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1F 107793517 NVZHXGKZNJCOKN-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB CN(C)[C@H](C(=O)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(F)cc1 141570672 KZXAIGDVABBILL-NRFANRHFSA-N 405.498 5.344 0 40 HKAB CCc1cccc(CC)c1NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 223564983 ZZRJTYKIPZYIRM-JWGURIENSA-N 418.562 5.591 0 40 HKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1 224001456 GBMUCZZHKIVVQR-KRWDZBQOSA-N 401.919 5.217 0 40 HKAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1cc(C)cc(C)c1 224195724 SYVYWYLJKBAUBD-UHFFFAOYSA-N 407.535 5.865 0 40 HKAB CCCCOCc1cc(C(=O)Nc2ccc(Br)cc2)ccc1OCC 224726515 VSIMOOFBJGFYIB-UHFFFAOYSA-N 406.320 5.417 0 40 HKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 224750364 UDBWVADCLTWETE-SFHVURJKSA-N 420.553 5.034 0 40 HKAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)NCc1ccc(Cl)cc1 224883624 VJRDUGGTYFSEFB-UHFFFAOYSA-N 419.706 5.007 0 40 HKAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)c1ccc2sc(Cl)nc2c1 225980964 ZFHMJAMCGPMTPC-UHFFFAOYSA-N 403.290 5.793 0 40 HKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260817031 UMKUXPGPQHRTGM-SQJMNOBHSA-N 418.622 5.357 0 40 HKAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccc(Br)cc1 408561941 LVUPNCSHRPAPTL-XDOYNYLZSA-N 415.356 5.357 0 40 HKAB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)C(C)C)ccc3Cl)nc2c1 408625818 ZGGXGIDQSPFQDG-UHFFFAOYSA-N 401.919 5.234 0 40 HKAB COc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2C)n1 408698854 QBPNJLQBZDHSGD-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccc(C)cc2C)c1 408698872 SKZWPUMVDPGREJ-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB CCn1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(=O)c2cc(C)ccc21 408713087 JSMHAMMHCHFYGV-UHFFFAOYSA-N 410.517 5.172 0 40 HKAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2 575620213 OUAGDEOBHRVCRR-UHFFFAOYSA-N 420.563 5.632 0 40 HKAB CC(C)=CCC[C@]1(C)Oc2c(-c3ccc(C(=O)O)cc3)cccc2[C@@H]2OCCC[C@H]21 585265635 NEFHUKIDRYLQAC-CWDLOFLHSA-N 406.522 6.417 0 40 HKAB CCc1ccc(-c2csc(NC(=O)c3sc4cc(C)ccc4c3Cl)n2)cc1 672689 GPZZFKFAWPMHHL-UHFFFAOYSA-N 412.967 6.801 0 40 HKAB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccccc3)c3cc(C)ccc3n2)cc1 991046 KIYWEMNIYFTVOF-UHFFFAOYSA-N 411.457 5.259 0 40 HKAB COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 997307 GISHALSQGWSUNN-UHFFFAOYSA-N 422.893 5.656 0 40 HKAB COc1ccc(-c2nc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)s2)cc1OC 1385515 UZBQINOAXZDVSA-UHFFFAOYSA-N 422.428 5.407 0 40 HKAB O=C(Nc1ccc(NC(=O)c2ccccc2Br)cc1Cl)c1ccco1 2050826 IUHSOXOIFWOEQN-UHFFFAOYSA-N 419.662 5.200 0 40 HKAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 2054698 CVPDBHKWYWGLPX-GZTJUZNOSA-N 417.770 5.963 0 40 HKAB O=C1C(NNc2ccc3oc4ccccc4c3c2)=Nc2cc3c(cc21)oc1ccccc13 2121309 PFQBBXSVRABACO-UHFFFAOYSA-N 417.424 6.328 0 40 HKAB biogenic Cc1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1Cl 2121864 LNIFWWFRJZMZMP-UHFFFAOYSA-N 403.865 5.778 0 40 HKAB biogenic CCOC(=O)NC1(Nc2c(C)cc(C)cc2C)Oc2cc(Cl)c(Cl)cc2O1 2689757 IKMBNCVCHRSQPO-UHFFFAOYSA-N 411.285 5.159 0 40 HKAB CCc1ccccc1-n1nc(-c2ccc(C)c(C)c2)c(Cl)c1-c1ccc(C)c(C)c1 2733544 MGVWFWKXPMEYPO-UHFFFAOYSA-N 414.980 7.656 0 40 HKAB Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1 2752306 XGSDGJBSVXNGIY-UHFFFAOYSA-N 421.327 7.078 0 40 HKAB NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)CC(=O)N1c1cccc2ccccc12 3324642 SCOGGQPFGUDOCD-UHFFFAOYSA-N 417.921 5.681 0 40 HKAB Cc1ccc(-c2csc(C3=C(N)N(c4ccc(C(F)(F)F)cc4)C(=O)C3)n2)cc1 3335000 BCNOSQTWPIAWKM-UHFFFAOYSA-N 415.440 5.202 0 40 HKAB COC(=O)c1ccc(CSc2nnc(-c3ccccc3F)n2-c2ccc(C)cc2)o1 3515988 YUXOGBWFFKSJIZ-UHFFFAOYSA-N 423.469 5.054 0 40 HKAB Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CNC(C)(C)C 4139855 OOFSAWSYBOPCGL-QHCPKHFHSA-N 412.577 6.033 0 40 HKAB COc1ccc2[nH]c(C)c(CCNC(=S)Nc3ccc(Cl)c(Cl)c3)c2c1 4140074 YFIZKHCRGYRLCI-UHFFFAOYSA-N 408.354 5.321 0 40 HKAB COc1ccc(C(=O)Nc2c(C)cc(C)c(NC(=O)c3ccc(OC)cc3)c2C)cc1 4616510 ZCRDOYDTIDWGTM-UHFFFAOYSA-N 418.493 5.134 0 40 HKAB CCCCOc1ccc(-c2ccc(C)cc2)cc1[C@H]1Nc2ccccc2-c2cc(C)nn21 4708429 JKRIENIXRHKNGB-NDEPHWFRSA-N 423.560 6.985 0 40 HKAB CCCCOc1cccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)c1 4723349 MBCSOWYMCPVHHI-UHFFFAOYSA-N 400.482 5.160 0 40 HKAB O=C(C1CC1)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@@H]1c1ccc(Cl)cc1 4816854 TWVWGGQUOKWNDB-RTBURBONSA-N 413.308 5.062 0 40 HKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@@H](c1ccccc1)C(Cl)(Cl)Cl 5007437 NODGGCSNXDZVRD-DRZSPHRISA-N 415.575 5.805 0 40 HKAB Cc1ccc(-c2nc3c(c(SCC(=O)Nc4ccccc4)n2)COC(C)(C)C3)cc1 5206206 JPRSGBBUFFFAIQ-UHFFFAOYSA-N 419.550 5.034 0 40 HKAB Cc1cc2oc(=O)c(CC(=O)NCc3ccccc3)c(C)c2c2occ(C(C)(C)C)c12 5235710 KZYAJLNCFOWBHZ-UHFFFAOYSA-N 417.505 5.312 0 40 HKAB CCOc1ccc(Nc2cc(C(C)(C)C)nc3c(-c4ccccc4)c(C)nn23)cc1 5306448 JMQGIBCIRQFRFZ-UHFFFAOYSA-N 400.526 6.145 0 40 HKAB COc1cc(/C=C/C(=O)N2c3ccc(C)cc3C(C)=CC2(C)C)cc(OC)c1OC 5477719 ZLLMYVFQGFJDPJ-PKNBQFBNSA-N 407.510 5.263 0 40 HKAB Cc1nc2c(-c3ccccc3)c(C)nn2c(NCc2ccccc2)c1Cc1ccccc1 5555950 OKIXJXAVWQUXHV-UHFFFAOYSA-N 418.544 6.216 0 40 HKAB Cc1ccc2c(c1)[nH]c(=S)n2/C=C(\c1ccccc1)[S@](=O)Cc1ccccc1 5734193 UHVIYNSKKNNIDC-RQLJPHHTSA-N 404.560 5.912 0 40 HKAB Cc1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1-c1ccc(F)cc1 6375805 DEGLCUORBUJIIF-UHFFFAOYSA-N 402.494 6.028 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccccc2N2CCCCC2)c1 6605521 KGFUZDODIBFFCW-UHFFFAOYSA-N 405.498 5.113 0 40 HKAB COc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCc1ccc(Cl)cc1Cl 6857373 QUNMCBASUBPGKM-UHFFFAOYSA-N 424.412 6.885 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3ccc(C)c(NC(=O)c4cc(C)cc(C)c4)c3)nc2c1 7073544 PZIPEWAMQSURAE-GOSISDBHSA-N 412.533 7.186 0 40 HKAB CCc1ccc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)s1 7191895 WQFKUYSWFOMHTB-UHFFFAOYSA-N 409.536 5.185 0 40 HKAB C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)c1ccccc1 8185728 AHEBMOYWGHUVMR-AWEZNQCLSA-N 413.930 5.209 0 40 HKAB COc1ccc(OC(=O)c2oc3ccccc3c2CSCc2ccccc2)cc1 8345372 ABLIZAZRVSNTHV-UHFFFAOYSA-N 404.487 6.094 0 40 HKAB Clc1ccc(NC(=C(c2ccccc2)c2ccccc2)n2nnc3ccccc32)cc1 8427159 HDDUNOQTENDZJU-UHFFFAOYSA-N 422.919 6.571 0 40 HKAB CCCCSc1nc(NCc2cccnc2)c2c3c(sc2n1)COC(C)(C)C3 8628177 KMFBYLAPQHUWBR-UHFFFAOYSA-N 414.600 5.442 0 40 HKAB Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)CC[C@H](c4ccccc4)[C@H]3C2=O)c1C 8826762 UUOHHXXXBMIDST-YUEVXQQWSA-N 409.529 5.770 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 9226447 OQTYHOYTEYLMPR-UHFFFAOYSA-N 414.461 5.265 0 40 HKAB Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SC1CCCC1 9382844 OJSTUHSHGMDUCX-UHFFFAOYSA-N 422.579 5.035 0 40 HKAB C[C@@H](Oc1ccccc1)c1nnc(SCc2ccc(Br)cc2)n1C 9593332 YQMCSFNBDWZLIK-CYBMUJFWSA-N 404.333 5.010 0 40 HKAB COc1ccc(Oc2cc(NC(=O)c3ccc(Br)o3)ccc2OC)cc1 11292348 YVJGSKKCAFBWLR-UHFFFAOYSA-N 418.243 5.104 0 40 HKAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccc4)ccc3c2C)cc1OC 15729369 GJJVVNNAIXAGPC-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB biogenic C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCC(c2nc3ccccc3o2)CC1 15832061 UVAXOXVOBAURAX-KRWDZBQOSA-N 406.526 5.299 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1 17082381 AOIDLFOMTLRIQK-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 17092913 MEKRBRLZAPOTTQ-UHFFFAOYSA-N 422.337 5.661 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1 17093076 GEGLKJSNWMCRJF-UHFFFAOYSA-N 422.484 6.689 0 40 HKAB CCCCc1ccc(N/C=C2\C(=O)N(c3nccs3)C(=O)c3ccccc32)cc1 18045894 BBQJCLNRWXCBLH-HKWRFOASSA-N 403.507 5.126 0 40 HKAB COc1ccccc1C(=O)Nc1cc2c3c(c1)[C@H]1CCC[C@H]1CN3C[C@H]1CCC[C@H]21 18270432 DKJZTZCRPBGKCN-HNJRGHQBSA-N 402.538 5.549 0 40 HKAB Cc1ccc(-c2[nH]ncc2CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19361901 QRQBNEVLTLOIOJ-UHFFFAOYSA-N 422.576 5.292 0 40 HKAB Cc1ccc(SCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 20239992 XHCPMDKQKZTDGI-UHFFFAOYSA-N 416.590 5.021 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)/C=C/c4ccc(C(C)C)cc4)ccc3o2)c1 21579292 PNXWPVCTIKAQMM-NTEUORMPSA-N 412.489 6.279 0 40 HKAB Cc1noc(C)c1COc1cccc(C(=O)N2CC[C@H](C)Sc3ccccc32)c1 21901362 YGZRCUFHTUKNTC-HNNXBMFYSA-N 408.523 5.402 0 40 HKAB O=C(Nc1c(Cl)cccc1Cl)c1ccc(OCCSc2ccccc2)cc1 22527765 SZWFXJHYDYESNF-UHFFFAOYSA-N 418.345 6.417 0 40 HKAB C[C@H](Nc1nc2ccccc2s1)C(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 29014972 IXPJXLJIAPYMMO-DJJJIMSYSA-N 411.527 5.203 0 40 HKAB O=C(NCCc1c[nH]c2ccccc12)C1(Cc2nc3ccccc3s2)CCCC1 29571231 NJHYMZVCKBTRJW-UHFFFAOYSA-N 403.551 5.239 0 40 HKAB CC(C)(C)[C@H]1C/C(=C/c2ccc3c(c2)OCO3)c2nc3ccccc3c(C(=O)O)c2C1 33888663 AUMBAGOVHVKCGZ-RNIVLKNTSA-N 415.489 5.811 0 40 HKAB O=C(COc1cccc(-c2noc(-c3ccccc3F)n2)c1)Nc1ccc(Cl)cc1 40488332 SHDMRWCTHSAVLY-UHFFFAOYSA-N 423.831 5.214 0 40 HKAB Cc1ccc(NC(=O)c2c(NC(=O)c3ccccc3C)sc3c2CCCC3)cc1 58886101 YJEOAJNHSDKRLA-UHFFFAOYSA-N 404.535 5.748 0 40 HKAB CCn1c([C@H]2CCCN2C(=O)c2ccc(Oc3cccnc3)cc2)nc2ccccc21 60352978 IVNZYHNXPMELTR-HSZRJFAPSA-N 412.493 5.221 0 40 HKAB O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1ccccc1C(F)(F)F 67297430 JRUOCLKUMORJLJ-SLMZUGIISA-N 408.379 5.936 0 40 HKAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(=O)Nc2nccs2)c(Cl)c1 67298216 RMDCEJOEJBJUKO-NMWGTECJSA-N 411.870 5.041 0 40 HKAB COc1cc([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCCCCC2)cc(OC)c1O 71286934 OLZASNDMUCONAW-IBGZPJMESA-N 417.531 5.093 0 40 HKAB CCOC(=O)C1=C(C)Nc2c(-c3ccc(Cl)cc3)cnn2[C@@H]1c1ccc(F)cc1 71405467 JPILKMZHAZNOPN-HXUWFJFHSA-N 411.864 5.195 0 40 HKAB Cc1ncsc1C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F 72293333 DMNSNRBBOWDIIZ-UHFFFAOYSA-N 400.369 5.377 0 40 HKAB Cc1ccccc1NC(=O)N(CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 100974868 VUGPATWMNVUEQK-UVWWXKGLSA-N 412.618 6.393 0 40 HKAB COc1ccccc1[C@@]1(O)C[C@H](c2ccc(C)cc2)N[C@H](c2ccc(C)cc2)[C@@H]1C 101659418 VXHVUKKYMOSWJM-MUDGOKMXSA-N 401.550 5.612 0 40 HKAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3=C3C4CC5CC(C4)CC3C5)[C@H]2C1=O 102690435 JKIGKXZBOSMTRZ-DGXJJIRVSA-N 419.952 5.323 0 40 HKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1 106703220 KRHVPRNXXMSLBY-NDENLUEZSA-N 409.894 6.145 0 40 HKAB CCOc1ccc(CNC(=O)CC(c2ccccc2)c2ccccc2)cc1OCC 219126341 GFYYSQAQRPUBSB-UHFFFAOYSA-N 403.522 5.322 0 40 HKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(N2CCCC2=O)cc1 219198211 IPUJWIAEATYDSP-UHFFFAOYSA-N 402.519 5.358 0 40 HKAB CC[C@H](NC(=O)CCCN1C(=O)c2cccc3cccc1c23)c1ccc(C)cc1C 219473647 OREYQQQOJZSEJC-QFIPXVFZSA-N 400.522 5.465 0 40 HKAB CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C(C)C)o2)cc1 222847320 XWEXBAGKYPTHCA-FCHUYYIVSA-N 407.539 5.121 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1ccccc1C 224098427 NKOWLKBSLPFIOV-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 224182153 HGZRFIASGVZNFD-RUZDIDTESA-N 420.597 5.102 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1ccccc1C 224371620 WRJKPORBMNPHQS-UHFFFAOYSA-N 403.522 6.096 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccc(C(C)(C)C)cc1 224520553 NXYZYQUPWUDLOW-UHFFFAOYSA-N 421.512 6.353 0 40 HKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)cc1Cl 224523715 FQBFEZFDFGLWGM-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)c2ccc(Cn3ccnc3C)cc2)c2ccccc2O1 225296246 UZSQVQMRXKCNGC-JOCHJYFZSA-N 403.526 5.052 0 40 HKAB Cc1cc(NC(=S)N[C@@H](C)c2ccc(C(C)(C)C)cc2)ccc1N1CCCC1=O 225408143 XCRIOUSLLKVVPI-KRWDZBQOSA-N 409.599 5.467 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 225829059 IDMPIKARQOZASC-DHIUTWEWSA-N 407.554 5.450 0 40 HKAB O=C(c1cc2ccccc2o1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257218047 DBQMUYFGEKPBTK-FQEVSTJZSA-N 404.441 5.518 0 40 HKAB Cc1nc(-c2ccc(C(=O)Nc3ccc(Oc4ccccc4C)cc3)cc2)cs1 408617485 CKTGOLLRSVOFHC-UHFFFAOYSA-N 400.503 6.472 0 40 HKAB CCOc1ccccc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl 408621309 LOALONOALMYBJD-UHFFFAOYSA-N 402.705 5.680 0 40 HKAB COc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1 408723282 SPLGLVOGNRFICC-UHFFFAOYSA-N 420.921 6.391 0 40 HKAB O=C1S/C(=C\c2ccc(N3CCCCC3)o2)C(=O)N1Cc1ccc(Cl)cc1 408875209 HIDZXPYXVKQKBX-ATVHPVEESA-N 402.903 5.160 0 40 HKAB CC[C@@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)C1=O 409018707 YNFCGYYEBFLALQ-NEIHUHTASA-N 404.535 5.833 0 40 HKAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)c1 409088430 LUTGKRMPPGXNKL-UHFFFAOYSA-N 405.954 6.112 0 40 HKAB CCOc1ccc(NCc2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 409109444 DZAGSVMSFVLSCL-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 409173069 LLPPECCTYCAAAZ-OALUTQOASA-N 418.562 5.605 0 40 HKAB CC1CCN(C(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)CC1 409174616 VQRFBLORMDWYOW-RAAUGIHRSA-N 400.566 5.855 0 40 HKAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCc1cccc2ccccc12 409196578 WKKJPCWRIHANJS-UHFFFAOYSA-N 401.481 6.569 0 40 HKAB CCc1ccc2nc(-c3cc(Br)c(N)c(Br)c3)sc2c1 575415070 NMRXBNNIOMDUQV-UHFFFAOYSA-N 412.150 5.633 0 40 HKAB O=C(N[C@H](Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl)c1ccco1 725861 PMYKKZJVHDPNMQ-LBPRGKRZSA-N 402.492 5.125 0 40 HKAB O=C(NCCc1c[nH]c2ccccc12)c1cc2sccc2n1Cc1ccc(F)cc1 1324360 PNIHULOBONQOEE-UHFFFAOYSA-N 417.509 5.344 0 40 HKAB CCN(CC)c1ccc(NC(=O)CSc2nc(C3CC3)nc3ccccc23)cc1C 1332686 ZFOIIQNSTQJETN-UHFFFAOYSA-N 420.582 5.393 0 40 HKAB CN(C)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C2CCCC2)cc1 1339980 KEDCXROUIPXPGF-UHFFFAOYSA-N 420.582 5.462 0 40 HKAB FC(F)(F)c1cnc(NCCN2CCC3=C(CCc4ccccc43)C2)c(Cl)c1 1401403 HXZSRNWPGIMMNE-UHFFFAOYSA-N 407.867 5.271 0 40 HKAB COc1ccc([C@H](CCNCc2ccc(OC(C)C)cc2)c2ccccc2OC)cc1 1896458 IDFLVSYGEYZZGR-VWLOTQADSA-N 419.565 5.803 0 40 HKAB biogenic O=C1OC(c2ccccc2F)=N/C1=C\c1ccccc1OCc1ccccc1Cl 2061402 XAHFMPVISDKXNV-MOSHPQCFSA-N 407.828 5.403 0 40 HKAB CCOP(=O)(OCC)Oc1ccc(COC(=O)Nc2cccc(Cl)c2)cc1 2333970 GODPWVCGVAGYPN-UHFFFAOYSA-N 413.794 5.649 0 40 HKAB CCn1c(NC(=O)c2ccccc2Cl)c(-c2ccccc2)c(=O)c2ccccc21 2357680 PVEQTKMCFZPPMS-UHFFFAOYSA-N 402.881 5.594 0 40 HKAB C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)NCCC1=CCCCC1 2626892 WGNJAVGGZXJTBD-QGZVFWFLSA-N 422.554 5.015 0 40 HKAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)Cc1c(Cl)cccc1Cl 2655395 ZPRWJVYALYEEEO-UHFFFAOYSA-N 424.324 5.024 0 40 HKAB Brc1cccc(Oc2cccc(Oc3cccc(Br)c3)c2)c1 3172303 HONAMWKAGCGSSQ-UHFFFAOYSA-N 420.100 6.796 0 40 HKAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3c(Cl)ccc(C)c3Cl)n2)cc1 3405868 HTBVGXNEBUEDOC-UHFFFAOYSA-N 407.326 5.126 0 40 HKAB Cc1ccccc1Cn1c([C@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 4033402 ICBHHTNAUZESTL-QFIPXVFZSA-N 409.533 5.530 0 40 HKAB CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 4834751 IZCHBQUTGJMSCP-VWLOTQADSA-N 409.533 5.319 0 40 HKAB Cc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3ccccc3)c2c1 4920594 LMMYWYMFRWWMBN-UHFFFAOYSA-N 403.551 5.819 0 40 HKAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)c2ccc(Br)cc2)o1 4927354 KMSVFOLRYWWENZ-LBPRGKRZSA-N 403.301 5.171 0 40 HKAB CCOc1ccc2ncc3c(-c4ccc(OC)cc4)nn(-c4ccc(C)c(C)c4)c3c2c1 4970142 YNIGJIYCDJFYQJ-UHFFFAOYSA-N 423.516 6.265 0 40 HKAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N(C)C1CCCCC1 5027095 URIANYFCHDYZKF-CQSZACIVSA-N 423.504 5.434 0 40 HKAB CC1(C)Cc2c(sc3ncn4nc(-c5ccc(Cl)cc5Cl)nc4c23)CO1 5345233 QUVLVFYSWGUSFU-UHFFFAOYSA-N 405.310 5.164 0 40 HKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(I)cc2)cc1 5383820 VJSZILUCOVKUHW-AWNIVKPZSA-N 405.279 5.241 0 40 HKAB Cc1ccc([C@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCC(C)CC2)cc1 6054038 MPKCGNOAURBGRB-HSZRJFAPSA-N 422.594 6.340 0 40 HKAB CC(=C/Cc1c(O)c(Cl)c(C)c(C=O)c1O)/C=C/[C@]1(C)[C@H](C)CCC(=O)[C@@H]1C 6068715 SETVRSKZJJWOPA-BKNYIUHYSA-N 404.934 5.559 0 40 HKAB CC(C)c1ccc(-c2nc(Nc3ccc(Cl)cc3Cl)sc2CC(=O)O)cc1 6190888 XKXNJAIBAOFFQW-UHFFFAOYSA-N 421.349 6.611 0 40 HKAB S=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1Sc1ccccc1 6269736 ATFZXDQCYOQSNL-UHFFFAOYSA-N 405.375 6.954 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@@H](c1c(Cl)cccc1Cl)N2 6269863 RQSCSMWYGHTBAE-BUVFEPMLSA-N 410.300 6.163 0 40 HKAB CCc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)cc1 6450524 XHYOCHQEXNIWHY-UHFFFAOYSA-N 411.288 6.616 0 40 HKAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc4ccccc34)cc2)cc1 6479871 ZLBXSEOQYAKXMF-UHFFFAOYSA-N 415.514 5.374 0 40 HKAB Cc1cc(C)cc(N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)c1 6794544 YQVSWJJYZRJCHG-NRFANRHFSA-N 407.876 6.347 0 40 HKAB Cc1ccc2c(C)c(C(=O)N(Cc3ccco3)Cc3ccccc3Cl)oc2c1C 6810700 QRZMTZZWVPSZBL-UHFFFAOYSA-N 407.897 6.447 0 40 HKAB COc1ccc(Cc2nnc(SCc3ccc(Cl)cc3Cl)o2)cc1OC 7605092 RZBCKWMSHRGUDI-UHFFFAOYSA-N 411.310 5.277 0 40 HKAB CC[C@@H](C)NCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 8325883 WROFIIVHURFSRP-CYBMUJFWSA-N 412.755 5.578 0 40 HKAB O=C(NC1CC1)c1cccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1 8395231 JGIYVPWAYFRWSZ-UHFFFAOYSA-N 413.502 5.108 0 40 HKAB Cc1ccc2nc(-c3cccnc3SCC(=O)N3c4ccccc4C[C@@H]3C)[nH]c2c1 8670222 GNTORSDNBSXIGO-INIZCTEOSA-N 414.534 5.003 0 40 HKAB aggregator O=C(CNc1ccc(C(F)(F)F)cc1)Nc1ccccc1C(=O)Nc1ccccc1 8729394 PAWHQTFZAPMEHH-UHFFFAOYSA-N 413.399 5.008 0 40 HKAB O=C(Cc1csc(SCc2cccc(Cl)c2)n1)NCCC1=CCCCC1 8938193 GQFQORPHLWCTQU-UHFFFAOYSA-N 407.004 5.638 0 40 HKAB COc1ccccc1C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(C)cc1 9412075 QZQJBPNNOFXLAX-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3Cl)ccc2C)cc1 10314320 QHAREIBMFIVJAA-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1nc(CSc2ccccc2C(=O)OCC(=O)c2c[nH]c3ccccc23)cs1 11596110 NERFUWBCQRWXJH-UHFFFAOYSA-N 422.531 5.265 0 40 HKAB CC(C)c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1 12772445 DYJMCZSBUHIBCA-UHFFFAOYSA-N 404.514 5.884 0 40 HKAB O=C(Cc1csc(-c2ccccn2)n1)Nc1ccccc1SCc1ccccc1 12844793 OYVRFFLZLRXZRQ-UHFFFAOYSA-N 417.559 5.679 0 40 HKAB CCCSc1nc(NCc2ccccn2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 13228252 JJAAUCPXLZVWEM-NRFANRHFSA-N 414.600 5.442 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)N1c2ccccc2Sc2ccccc21 13717269 PMVCCRLHQVUGPA-UHFFFAOYSA-N 408.526 6.789 0 40 HKAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)c(OC)c1 13759377 WHZYEDGTWVFQTK-AGILITTLSA-N 415.961 5.226 0 40 HKAB O=C(COc1ccccc1Cl)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 13946072 LUROCTNUEJDJNV-UHFFFAOYSA-N 412.276 5.554 0 40 HKAB O=C(COc1ccc(Cl)cc1Br)Nc1cc(Cl)ccc1Cl 13989406 XREFSQYNFRSBSN-UHFFFAOYSA-N 409.494 5.427 0 40 HKAB CC1CCN([C@@H](c2cc(Cl)c3ccccc3n2)c2nnnn2C2CCCCC2)CC1 13999020 ZGWGQUWYYQIPNV-QFIPXVFZSA-N 424.980 5.201 0 40 HKAB CCCn1c(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)nc2ccccc21 14626252 XJEMYZWAYCPACS-UHFFFAOYSA-N 412.852 5.455 0 40 HKAB Cc1csc(NC(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)n1 16848914 CDABURJXJBKBGO-UHFFFAOYSA-N 402.932 5.052 0 40 HKAB CC(C)(C)C(=O)NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 17082791 KZRBSQVSODTZEU-UHFFFAOYSA-N 403.960 5.476 0 40 HKAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cccc(Br)c1 20138024 JISCOLUKFAYKNT-UHFFFAOYSA-N 406.663 5.107 0 40 HKAB CC(=O)Nc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 20310068 IGLAZVDBBWAKOU-OAQYLSRUSA-N 418.884 5.550 0 40 HKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(CN2CCCC2=O)cc1 20491901 XNBFLWHZPVLQDU-UHFFFAOYSA-N 416.546 5.354 0 40 HKAB Cc1ccc(C)c(NC(=O)Nc2c(C)nn(Cc3ccc(F)cc3Cl)c2C)c1 20541153 OSESOCORYSFHLV-UHFFFAOYSA-N 400.885 5.602 0 40 HKAB CCOC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN([C@@H](C)c2ccccc2)C1 21670147 AWYFSMCRVCEPMH-INIZCTEOSA-N 415.489 5.984 0 40 HKAB Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCc4ccccc4C3)c(O)n2n1 23157240 VDSKFSFLFIVCLY-OAQYLSRUSA-N 418.566 5.076 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)Cn1nc(-c2ccccc2F)n(C)c1=S 25139703 NYWXNUDDESZYRM-CYBMUJFWSA-N 413.547 5.017 0 40 HKAB O[C@H](CNC(c1ccccc1)c1ccccc1)Cn1c2ccccc2c2ccccc21 27489726 KGXHHWMYGHWQMS-HSZRJFAPSA-N 406.529 5.535 0 40 HKAB CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(OC)cc1 30848793 SIHUJDYCTDRMRW-LJQANCHMSA-N 420.347 5.227 0 40 HKAB CCCOc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1C 31904053 IPXABXAUEAUBSV-UHFFFAOYSA-N 409.551 5.175 0 40 HKAB c1ccc(-n2c(Sc3ncnc4c3oc3ccccc34)nnc2-c2cccnc2)cc1 32856099 ZZHWYORODJVLNP-UHFFFAOYSA-N 422.473 5.170 0 40 HKAB O=C1[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1 36007138 VXKOXQSDVLPQFM-USXZWKKNSA-N 421.471 5.249 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N[C@H](CC(C)C)c1ccc(OC)cc1 44840462 XHGLJKIAFXYRSI-DNQXCXABSA-N 405.538 5.909 0 40 HKAB COc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 44933169 MYTWDVLCZPIJSW-NVXWUHKLSA-N 421.368 5.091 0 40 HKAB Cc1cc(=O)oc2cc(NC(=O)c3cccnc3SCc3ccc(F)cc3)ccc12 57845248 YVFKQCBMNAPQFB-UHFFFAOYSA-N 420.465 5.180 0 40 HKAB Cc1ccc(C)c(OCc2nnc(SCc3csc(Br)c3)o2)c1 84146359 YKBMEZDTBZFPEA-UHFFFAOYSA-N 411.346 5.382 0 40 HKAB O=C1/C(=C\Nc2ccccc2Cl)c2ccccc2C(=O)N1c1ccc(Cl)cn1 102320346 XAPYVYWIZQUYRT-VBKFSLOCSA-N 410.260 5.028 0 40 HKAB C1=C(c2ccccc2)N=C(c2ccccc2)[C@H]2[C@@H](c3ccccc3)N2[C@@H]1c1ccccc1 104188754 XBVYAFOZBSKPOK-UPPUQRJNSA-N 412.536 6.697 0 40 HKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3c(C)c(C)n(-c4ccccc4)c3C)N21 222719714 TVYFWNIRNJPJQE-WDJPJFJCSA-N 416.594 5.777 0 40 HKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1)c1ccccc1 223234973 KSHFYLBKEIPDEY-YVUGPFRESA-N 404.535 5.095 0 40 HKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)c1 224320001 RFBTYOSORSHQST-RPBOFIJWSA-N 424.573 5.666 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCc1cccc(CN2CCCCC2)c1 224697510 ZKPKBLMVDUWHJM-QHCPKHFHSA-N 414.977 5.108 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(F)cc3F)o2)cc1 224909225 NYPNNWJZZJIMSO-UHFFFAOYSA-N 406.388 5.548 0 40 HKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225091216 RZBLQUIFAKEYAJ-XMMPIXPASA-N 422.613 5.250 0 40 HKAB Cc1ccccc1CN(C(=O)CCc1ccc(C(C)(C)C)cc1)[C@H](C)C(=O)NC(C)C 225488319 BKQAAQUKXPAKBG-OAQYLSRUSA-N 422.613 5.167 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)c2ccccc12 225680996 YQIOKTSXOSNIQV-FQEVSTJZSA-N 401.550 6.776 0 40 HKAB CC[C@H](NC(=S)Nc1ccc(Br)c(C)c1)c1ccc(OC)c(OC)c1 225718978 PUIRSSBCKMDPQG-INIZCTEOSA-N 423.376 5.212 0 40 HKAB CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225735410 RKNOXLGCMMAZAD-SQJMNOBHSA-N 418.622 5.500 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NCCCc2ccc(C(C)C)cc2)cc1Cl 225807378 BGUFXQSDXWZFIZ-UHFFFAOYSA-N 418.990 5.559 0 40 HKAB CCc1nc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc2n1C 225897656 WDSGAPYOCWMULC-UHFFFAOYSA-N 417.896 5.272 0 40 HKAB Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3ccc(Cl)cc3Cl)oc12 226286503 SFLQNKDYJHXLPQ-UHFFFAOYSA-N 409.272 6.270 0 40 HKAB Cc1cc(N)ccc1NC(=O)c1ccc(-c2ccc(Br)cc2Cl)o1 227144763 GUYKAUDBMDZHNH-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccc(C)c(Cl)c2)cc1 408699795 WGXJAJIQEVKXKP-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB O=C1OC(c2sc3cc(Cl)cc(Cl)c3c2Cl)=N/C1=C\c1ccccc1 408969662 RRIBXJCGOWOURV-SDQBBNPISA-N 408.693 6.206 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 408970664 JWMGYAHRLZELON-UHFFFAOYSA-N 405.133 7.076 0 40 HKAB Cc1c(/C=C2\Sc3ccccc3NC2=O)c2ccccc2n1Cc1ccc(F)cc1 409100353 VJHRNLADKQOMQU-OYKKKHCWSA-N 414.505 6.222 0 40 HKAB CC(C)Cn1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 409125100 MNOKJTXFIWVVAU-NHDPSOOVSA-N 424.953 6.187 0 40 HKAB CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 409209610 HGRQQBHHWJTZGE-CXUHLZMHSA-N 424.305 5.642 0 40 HKAB Cc1cc(=O)oc2cc(OCc3ccccc3F)cc(OCc3ccccc3F)c12 639304 PKKFSXXOPOKRFJ-UHFFFAOYSA-N 408.400 5.538 0 40 HKAB biogenic O=C(c1ccc(Cl)cc1Cl)[C@@H](c1cccnc1)[C@H](O)C(Cl)(Cl)Cl 644733 RWHQUPKWBYNIJM-OCCSQVGLSA-N 413.515 5.086 0 40 HKAB O=C(Cc1ccc(Br)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 693035 XBEPWNJATSEUQM-UHFFFAOYSA-N 406.283 5.174 0 40 HKAB CCCn1c2ccccc2n2c(C(=S)Nc3ccccc3)c(-c3ccccc3)nc12 845903 JIOPWISSQPQPOV-UHFFFAOYSA-N 410.546 6.154 0 40 HKAB COc1cc(NC(=O)N2c3ccccc3Sc3ccccc32)c(C(=O)O)cc1OC 887823 YPZQTVOIPBPDHQ-UHFFFAOYSA-N 422.462 5.237 0 40 HKAB Cc1cc(C)cc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)c1 919476 MFTCHNAHOWVLKL-PBHICJAKSA-N 404.392 5.006 0 40 HKAB O=C(Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1)c1cccs1 952294 JKVJNNNASJYYNQ-UHFFFAOYSA-N 416.376 5.760 0 40 HKAB biogenic COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1OC 1447536 BEYASRVRWSLVIM-UHFFFAOYSA-N 422.488 5.848 0 40 HKAB C[C@H](COc1ccc(Cl)cc1Cl)OC(=O)COc1ccc(Cl)cc1Cl 1562440 RHTAFHUHZANICM-SNVBAGLBSA-N 424.107 5.690 0 40 HKAB CCCOC(=O)COc1ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)coc2c1 1770144 XGXIEEURFKJVCX-UHFFFAOYSA-N 410.466 5.215 0 40 HKAB CC[C@H](C)c1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(Cl)ccc4n3)o2)cc1 1790004 ZJWHZTSAKXDPRB-AWEZNQCLSA-N 405.881 7.027 0 40 HKAB CC[C@@H](OC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)C(=O)c1ccccc1 2079106 WFOJWCFJPCNTDO-OAQYLSRUSA-N 412.445 5.222 0 40 HKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)N1CCCc2ccccc21 2105651 RRXHUWMSUKVJGV-UHFFFAOYSA-N 412.920 6.457 0 40 HKAB CC(C)Sc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2 2266756 NYZANOCQCUJIEF-UHFFFAOYSA-N 416.590 6.158 0 40 HKAB biogenic Cc1ccc(-n2c(SCc3ccccc3)nc3sc4c(c3c2=O)CCC4)cc1 2270917 ZFGHXEFNMRQQLZ-UHFFFAOYSA-N 404.560 5.537 0 40 HKAB CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)nc(-c3ccc(Cl)cc3)nc21 2383822 PDSQCWCGDJJJTQ-UHFFFAOYSA-N 412.324 5.804 0 40 HKAB Cn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cccc(Cl)c1 2441616 QXNGJEXSJJYAJW-UHFFFAOYSA-N 408.914 5.020 0 40 HKAB Cc1ccccc1-n1c(SCCCC(=O)c2ccccc2)nnc1-c1cccnc1 2622658 RWXJMIFBFZBXOW-UHFFFAOYSA-N 414.534 5.393 0 40 HKAB O=C(OCCOc1ccccc1)c1cc(-c2cccc3ccccc23)nc2ccccc12 2642502 DUDVJBMKVCMVNX-UHFFFAOYSA-N 419.480 6.291 0 40 HKAB Cc1ccc2nc(NC(=O)CSc3nccn3-c3cccc(C)c3C)sc2c1 2723069 MICOAMUNAVYNCF-UHFFFAOYSA-N 408.552 5.138 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](Sc1cccc[n+]1[O-])c1ccccc1 3222873 TYIHRVYRXKUSSW-SFHVURJKSA-N 405.306 5.099 0 40 HKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1ccc(F)cc1F 3229529 DTYKDPYRXZZXIZ-UHFFFAOYSA-N 421.852 5.776 0 40 HKAB CCCCCOc1ccc(C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1 3241491 JJVUOMLXCMJANF-UHFFFAOYSA-N 417.936 7.060 0 40 HKAB Cc1nc(Nc2ccc(Oc3ccccc3)cc2)c2cc(-c3ccccc3)sc2n1 3284218 JOELKOHFALWKRE-UHFFFAOYSA-N 409.514 7.203 0 40 HKAB O=C(OCc1c(Cl)cccc1Cl)c1ccc(-c2nc3ccccc3s2)s1 3325611 OPUOGZYPAMTVEV-UHFFFAOYSA-N 420.342 6.689 0 40 HKAB CC1(C)N=C(SCC(=O)Nc2ccccc2)C(c2ccc(Cl)cc2Cl)=N1 4891426 LWKJXSNIBWXERC-UHFFFAOYSA-N 406.338 5.303 0 40 HKAB COc1cccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)c2ccccc2F)c1OC 4925047 RFXNDHOQELACNA-QFIPXVFZSA-N 418.468 5.143 0 40 HKAB CCc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(F)cc23)cc1 4970265 OTXFWAAWQZTSGV-UHFFFAOYSA-N 401.872 6.596 0 40 HKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)NCCC1=CCCCC1 5242673 LLGWOXGMHFBDPV-UHFFFAOYSA-N 403.551 5.396 0 40 HKAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3C(C)C)s2)cc1C 5624106 HZPUCBBABLQGOG-UHFFFAOYSA-N 412.584 5.753 0 40 HKAB Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2C(F)(F)F)cc1 6593048 QOOALVDQAXWPFZ-RBBKRZOGSA-N 412.386 6.087 0 40 HKAB CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O 7543304 GFYGJXJLAFAWMP-FQEVSTJZSA-N 413.496 5.307 0 40 HKAB COc1cc(C(=S)N2CCCCC2)ccc1OCc1ccc(Cl)c(Cl)c1 7782021 UEMZQKBYYHNMLQ-UHFFFAOYSA-N 410.366 5.742 0 40 HKAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O 7881911 NEWOSSPYVDYQLL-LJQANCHMSA-N 400.478 5.033 0 40 HKAB COc1ccc(CCNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1 8474332 VDDXWQFZQKOJAN-UHFFFAOYSA-N 416.348 5.913 0 40 HKAB COc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1 8497322 BQBATDVAMRYOQG-PKJWUGJGSA-N 405.582 5.969 0 40 HKAB CCSc1ccc(CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 9596784 NUKFJSIFYSANBO-UHFFFAOYSA-N 423.390 6.410 0 40 HKAB c1ccc(-c2cc3c(SCc4csc(-c5ccccn5)n4)ncnc3s2)cc1 12472632 QPOZUBGBOLVVKI-UHFFFAOYSA-N 418.572 6.169 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 12649517 BMIKUSXHDHYBRR-UHFFFAOYSA-N 413.521 5.686 0 40 HKAB O=C(c1ccccc1)c1ccc(OCc2csc(COc3ccc(F)cc3)n2)cc1 12858154 OPLZVNCADJRDKC-UHFFFAOYSA-N 419.477 5.671 0 40 HKAB COc1cccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3cccc(OC)c3)c2C)c1 13960513 YPXGNPKPJTUPLN-UHFFFAOYSA-N 418.924 6.244 0 40 HKAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)c(OC)c1 15953539 KHTQBWLJEZPZAP-IHTOVQNNSA-N 407.554 5.085 0 40 HKAB Clc1ccc(COc2ccc(Br)cc2CNC2CC2)c(Cl)c1 16384973 BHPMBTHQSAYELU-UHFFFAOYSA-N 401.131 5.587 0 40 HKAB COc1cccc(C(=O)Nc2ccc3oc(C(=O)c4ccc(Cl)cc4)c(C)c3c2)c1 16837865 GLSKEHURHQGTDZ-UHFFFAOYSA-N 419.864 5.887 0 40 HKAB biogenic CCOc1ccc(-c2csc(NC(=O)CCCOc3ccc(CC)cc3)n2)cc1 16956989 IROBLJFIMBKWKD-UHFFFAOYSA-N 410.539 5.569 0 40 HKAB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc(F)c4)c3)nc2c1 17091820 CQGNTJRLKXPLSQ-UHFFFAOYSA-N 419.481 5.378 0 40 HKAB CC(C)N1CCc2c(sc(NC(=O)c3ccco3)c2-c2nc3ccccc3s2)C1 17113401 DQTGSJHYCDPSMZ-UHFFFAOYSA-N 423.563 5.637 0 40 HKAB C[N+]1=C(/C=C\Nc2ccc3c4c(cccc24)-c2ccccc2-3)C(C)(C)c2ccccc21 17120786 WMHCAJZSKBCFSU-UHFFFAOYSA-O 401.533 7.119 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)c2nccc3ccccc23)n1 19691407 CSZQHPBOAPODJJ-XMMPIXPASA-N 411.480 5.722 0 40 HKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20046220 HXVLSVPUJPJWGO-OAQYLSRUSA-N 407.897 5.676 0 40 HKAB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(Cl)c(Cl)c1 20610342 QJIBMSVTZVNQQE-UHFFFAOYSA-N 401.228 5.119 0 40 HKAB C[C@@H](C(=O)O)N(/C=C/c1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 21301423 LCNGCKMUORQIHH-ZPICJPFVSA-N 413.473 5.382 0 40 HKAB C[C@H]1CCCCN1c1ccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cc1 21595921 UZKFFFCBIBTTDW-IBGZPJMESA-N 408.586 6.159 0 40 HKAB CCc1ccc(OCC(=O)N(C)[C@H](c2ccc(C)cc2)c2c[nH]c3ccccc23)cc1 27793499 ORJDNTJZVQPTJZ-HHHXNRCGSA-N 412.533 5.666 0 40 HKAB CC(C)c1ccc(CN(C(=O)c2cc(=O)c3cc(F)ccc3o2)c2ccccn2)cc1 27990043 UGMMBPUQPVUSDS-UHFFFAOYSA-N 416.452 5.298 0 40 HKAB Cc1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(C)c(-c4ccc(Cl)cc4)nn32)c(C)c1 32096512 XMXOWWDGJBVAIL-SFHVURJKSA-N 408.889 5.300 0 40 HKAB O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)Nc1ccccc1 33000380 JVEXTFWBLSSHOP-UHFFFAOYSA-N 419.531 5.279 0 40 HKAB COc1ccc(/C=C/c2nc3ccccc3nc2OCc2ccc(C(C)(C)C)cc2)cc1 33561552 AJEGNSGTBVQDGU-QGOAFFKASA-N 424.544 6.685 0 40 HKAB Cc1ccc2c(C(=O)CN3CCN(c4ccc(Cl)c(Cl)c4)CC3)c(C)[nH]c2c1 35448430 ZGXUVLQTCISCHT-UHFFFAOYSA-N 416.352 5.096 0 40 HKAB O=C(Nc1cccc2ccccc12)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38834057 LERISMKGCVTKFB-GOSISDBHSA-N 413.348 5.997 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 39977914 YWGNZNOYDUBOTK-UHFFFAOYSA-N 409.795 5.135 0 40 HKAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)Cn1c(C(F)(F)F)nc2ccccc21 40056826 UENYZXVCWKNGLH-ZDUSSCGKSA-N 401.388 5.021 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1cccnc1Nc1ccc(Cl)c(Cl)c1 40556524 GCKFWLWZMQSSRE-UHFFFAOYSA-N 422.699 6.046 0 40 HKAB COc1ccc(Nc2cc(C(=O)N3CCC[C@@H](C)C3)nc3ccc(C)cc23)cc1OC 48987708 RPAWDARTVIAOGC-QGZVFWFLSA-N 419.525 5.176 0 40 HKAB COc1ccccc1-c1ccccc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 49638550 YZSYJOGQCNXJDW-UHFFFAOYSA-N 402.494 5.599 0 40 HKAB CCOC(=O)c1cccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)c1 67339372 VYIGZILFODUICA-VQHVLOKHSA-N 414.255 5.024 0 40 HKAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72214926 NWSFGEGBFVATOR-HXUWFJFHSA-N 409.530 5.209 0 40 HKAB S=C(NCCSCc1ccccc1)Nc1ccc(Br)c(Cl)c1 107104936 PSVOKMKITUTQCK-UHFFFAOYSA-N 415.809 5.322 0 40 HKAB CSC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(-c2cccc(Cl)c2)cc1 206764972 JDRZDOXBMJBLHK-DFNIBXOVSA-N 407.988 5.054 0 40 HKAB COc1ccccc1CCCNC(=O)c1cc(Cl)ccc1OCc1ccccc1 219768744 HFZQCGKDJHBSBL-UHFFFAOYSA-N 409.913 5.290 0 40 HKAB S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(N2CCCCCC2)nc1 223974509 KTTNHTFVDRWHQH-UHFFFAOYSA-N 408.615 5.260 0 40 HKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 224444566 QEIWMJKZLPVWHB-PKTZIBPZSA-N 415.493 5.658 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccccc1OC 224574256 ASVDWLSIVFFTTM-SFHVURJKSA-N 405.494 5.164 0 40 HKAB CCCCOCc1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)ccc1OCC 224732426 FUCLPXIKUXZLGM-UHFFFAOYSA-N 421.921 5.325 0 40 HKAB Cc1c(Cl)cccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224960460 HQZULESHTJEELS-UHFFFAOYSA-N 423.299 6.876 0 40 HKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1Sc1ccccc1 225158118 KBONPSLSPGKPOX-GOSISDBHSA-N 403.547 6.123 0 40 HKAB S=C(NCCCc1ccc(Cl)cc1)Nc1ccc(Br)c(Cl)c1 225544310 WBOFBHAJZAUQLV-UHFFFAOYSA-N 418.187 5.675 0 40 HKAB OC1=C[C@]2(CCC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccs3)=NN12 227054502 JQRLXQZOWNBHDG-LPHOPBHVSA-N 417.328 5.376 0 40 HKAB Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3Br)o2)c(Cl)c1 227148054 BWJRCRGBXBTNMZ-JXMROGBWSA-N 417.690 5.597 0 40 HKAB Oc1nc(-c2ccc(-c3ccccc3Cl)o2)nc2ccc(Br)cc12 253536421 QBQCUOKXEMEIMJ-UHFFFAOYSA-N 401.647 5.678 0 40 HKAB Cc1ccc2cc(C(=O)N3CCC[C@H](c4ncc(Cc5cccc(F)c5)o4)C3)[nH]c2c1 257254641 KEBQCDDAGYURNB-IBGZPJMESA-N 417.484 5.214 0 40 HKAB CCOc1ccc(Cl)cc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 408555795 GHWQGGGXZFYNLC-UHFFFAOYSA-N 415.942 5.130 0 40 HKAB Clc1ccc(NCc2ccccc2OCc2cccc3ccccc23)c(Cl)c1 408604105 DKAPQRZWUOQXAP-UHFFFAOYSA-N 408.328 7.338 0 40 HKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1 408679926 WWAGVYZAEBKSIY-UHFFFAOYSA-N 402.881 5.698 0 40 HKAB Cc1ccc2nc(NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)sc2c1 408977786 FOOZNCBEZRVHML-FQEVSTJZSA-N 415.518 5.105 0 40 HKAB CC(C)(C)c1ccc(/C=C/C(=O)NCCSCc2c(F)cccc2Cl)cc1 409026253 JYGMKHOAXSLVGP-FMIVXFBMSA-N 405.966 5.839 0 40 HKAB CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(C(C)(C)C)cc1 409125340 DXHNPDLKINFZAJ-UHFFFAOYSA-N 404.348 5.635 0 40 HKAB Fc1cccc(COc2ccc(CNc3ccccc3Cl)cc2Br)c1 409181851 FXXKRJPACZDSCD-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB CC(C)CN1C(=O)N(c2ccc(F)cc2)[C@@H]2[C@H](c3ccc(Cl)cc3)CCCC[C@@H]21 2037838564 OJBPNKWZRAPYHR-RJGXRXQPSA-N 414.952 6.472 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)c1cc2nc(C(F)F)cc(C(F)F)n2n1 655863 MMLJVEZIAIYVBB-UHFFFAOYSA-N 407.154 5.164 0 40 HKAB O=C(Nc1nccs1)c1cccc(NC(=O)C(c2ccccc2)c2ccccc2)c1 704992 NIBNCWFGGYDGDV-UHFFFAOYSA-N 413.502 5.166 0 40 HKAB Nc1c(C(=O)NCc2ccccc2)sc2nc3c(c(-c4cccs4)c12)CCCC3 1251394 FHCLWXUJVRGXSY-UHFFFAOYSA-N 419.575 5.416 0 40 HKAB CCCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1 2050765 AINZPXPZKXAZHF-UHFFFAOYSA-N 402.519 6.313 0 40 HKAB COc1ccc(-c2coc3cc(OCc4ccccc4F)ccc3c2=O)cc1OC 2409818 LMUKEFYUELVHTM-UHFFFAOYSA-N 406.409 5.195 0 40 HKAB CCOc1ccc2c(c1)c1nnc(-c3ccc(OC)cc3)c-1cn2Cc1ccc(C)cc1 2688733 SVWDDMWSVOJNRI-UHFFFAOYSA-N 423.516 5.967 0 40 HKAB CCc1ccccc1NCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 2887581 DGYGENODWOLLFV-UHFFFAOYSA-N 420.365 5.654 0 40 HKAB CCCn1c(SCc2ccccc2Cl)nc(-c2ccccc2)c1-c1ccccc1 3047369 ILDUTEABXFGPFV-UHFFFAOYSA-N 418.993 7.573 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N[C@@H](C)Cc3cccs3)cc12 3231513 NQRBVHPITKDVKG-LBPRGKRZSA-N 415.971 5.471 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccccc2C(F)(F)F)sc2c1CC[C@H](C)C2 3265345 ICANQNKCIOQETF-NSHDSACASA-N 411.445 5.321 0 40 HKAB O=C(COC(=O)c1cccc2ccccc12)Nc1ccc(OCc2ccccc2)cc1 3291057 PKOXBYPIGHEMQX-UHFFFAOYSA-N 411.457 5.214 0 40 HKAB CCOC(=O)c1c(NC(=O)CN2CCCC[C@H]2C)sc(C)c1-c1ccc(C)cc1 3341604 PMDSYYCUGLPPOB-MRXNPFEDSA-N 414.571 5.022 0 40 HKAB COc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc3c2cnn3C)cc1Cl 4323013 VRIGXQUOAXHRPS-UHFFFAOYSA-N 408.893 5.129 0 40 HKAB c1ccc(Nc2nc(Nc3ccccc3)nc(Sc3nc4ccccc4[nH]3)n2)cc1 4608495 NJLMVRWRYWMQNF-UHFFFAOYSA-N 411.494 5.386 0 40 HKAB O=C(c1ccccc1)[C@H]1[C@@H](c2ccc(Cl)cc2)[C@]12C(=O)c1cccc3cccc2c13 4671062 TUYCVRTUFAKYRA-OASJLCFRSA-N 408.884 6.224 0 40 HKAB COCCN(C(=O)CCC1CCCC1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880771 KMGSYDXTIXJHJP-UHFFFAOYSA-N 415.603 5.452 0 40 HKAB Cn1c(-c2ccccc2)c(C(=O)COc2ccc(-c3nnco3)cc2)c2ccccc21 4895390 GLOAPZWZMHEJOA-UHFFFAOYSA-N 409.445 5.157 0 40 HKAB O=C(c1cc2sccc2n1Cc1ccccc1)N1CCC(Cc2ccccc2)CC1 4970965 TUKJDTMGASOBDV-UHFFFAOYSA-N 414.574 5.846 0 40 HKAB O=C(CCc1ccccc1)Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12 5106892 ZNPPPQABYOUEIG-UHFFFAOYSA-N 418.880 5.910 0 40 HKAB C[C@@H](Nc1ccccc1)[C@H]1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1 5160734 RJOCGTBCVRCQJS-HVETUWLQSA-N 404.897 5.114 0 40 HKAB C[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)N[C@@H]1CCCc2ccccc21 5391931 PREQOMJXQRQLBK-SCLBCKFNSA-N 413.930 5.064 0 40 HKAB COc1ccc(C2=C(Sc3ccc(F)cc3)c3ccc(OC)cc3S2=O)cc1 5527119 YILGBDSKRAUSBG-UHFFFAOYSA-N 412.507 5.582 0 40 HKAB COc1c(Cl)cc(C(=O)NC(=S)Nc2cccc3ccccc23)cc1Cl 5586348 OKQCVYHVZJKYMI-UHFFFAOYSA-N 405.306 5.282 0 40 HKAB CCCCCCOC(=O)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1 5645675 LBPKGXBHZDNMBR-UHFFFAOYSA-N 408.420 6.087 0 40 HKAB CCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O 6629494 UBUBRSSUUQXEMV-MFOYZWKCSA-N 409.338 5.847 0 40 HKAB Cc1ccc(C)c(N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)c1 6794525 YGVFUABEYKEFHF-NRFANRHFSA-N 407.876 6.347 0 40 HKAB Cc1ccc(C)c(Cn2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc2=O)c1 7574243 XDLGIAHSEGAEHY-UHFFFAOYSA-N 401.293 5.073 0 40 HKAB Clc1ccc(-c2cnc(CSc3nnc(-c4cccs4)n3C3CC3)o2)cc1 7763738 LNDJFAQTNIHELC-UHFFFAOYSA-N 414.943 5.942 0 40 HKAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCCC[C@@H]1c1nc2ccccc2s1 8340102 HULJZIKZKUEJHE-TZIWHRDSSA-N 422.550 5.222 0 40 HKAB CCOc1ccccc1-c1csc(NC(=O)Cc2csc(-c3ccccc3)n2)n1 8717903 LOFKDPLJGFYUOG-UHFFFAOYSA-N 421.547 5.514 0 40 HKAB CCCOc1ccc(C(=O)N(Cc2ccco2)Cc2c(F)cccc2Cl)cc1 8915931 HWVBDDQSSQPZRL-UHFFFAOYSA-N 401.865 5.704 0 40 HKAB CC(C)OC(=O)c1ccc(OC(=O)c2ccc(OC(C)C)c(Br)c2)cc1 9267351 KENWXHINEFTJTP-UHFFFAOYSA-N 421.287 5.021 0 40 HKAB c1cncc(-c2nnc3sc(-c4ccccc4-c4nc5ccccc5s4)nn23)c1 9303412 DTZGVLHYGSDFMX-UHFFFAOYSA-N 412.503 5.192 0 40 HKAB Cc1ccc(F)cc1NC(=O)c1cc(Cl)cc(Cl)c1I 9491515 JIPZHSILRVDBKG-UHFFFAOYSA-N 424.040 5.298 0 40 HKAB O=C(NCC(=O)c1cccs1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 9668223 IZLHGFVNBKPXNZ-UHFFFAOYSA-N 413.804 5.293 0 40 HKAB Cc1occc1C(=O)Nc1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)OCO2 12372519 IHQMIZWSADQYOU-UHFFFAOYSA-N 405.328 5.380 0 40 HKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 13003332 DDIAVQXQSUSWCC-UHFFFAOYSA-N 423.866 5.243 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 13581766 FTMGQJGHEWYTAY-UHFFFAOYSA-N 423.369 5.957 0 40 HKAB C[C@@H](NC(=O)c1ccccc1SCc1ccccc1)c1ccc(C(C)(C)C)cc1 13613260 SEEGFVVSGCQPKM-LJQANCHMSA-N 403.591 6.767 0 40 HKAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(Oc2ccccc2)cc1 13680688 XZQRNCHKZKNGTP-UHFFFAOYSA-N 408.306 5.728 0 40 HKAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)ccc1Cl 13684300 XHJJRSIPGIXVHI-QGZVFWFLSA-N 422.912 5.157 0 40 HKAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1 13684947 AZYRGEKAGNFXDB-UHFFFAOYSA-N 400.522 5.110 0 40 HKAB CCOc1ccc2nc(-c3ccc(Cl)c(NC(=O)Nc4cccs4)c3)cn2n1 13713837 XSTOUNUJXPDCQF-UHFFFAOYSA-N 413.890 5.154 0 40 HKAB O[C@H](CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccccc1 16477403 BFICVXWBYNGYGK-OAQYLSRUSA-N 402.321 5.396 0 40 HKAB COc1ccc(-c2ccccc2NC(=O)c2noc(C)c2CN2CCCCCC2)cc1 19663116 CBOZJIQZRGKGLU-UHFFFAOYSA-N 419.525 5.287 0 40 HKAB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OCC)c2)n2c(nc3ccccc32)N1 20672367 RDSQZVUWIZSLOL-QFIPXVFZSA-N 405.498 5.067 0 40 HKAB CC(C)C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccccc1 23762511 QCLFUDXLJNWJEP-HXUWFJFHSA-N 419.491 5.220 0 40 HKAB COc1ccc2cc([C@@H](C)C(=O)Nc3c(C)nn(-c4ccc(C)cc4)c3C)ccc2c1 24928009 GZSCHCVCCCSGBH-QGZVFWFLSA-N 413.521 5.702 0 40 HKAB Clc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCCC3)n2)cc1 27643148 WGWRFEWFDQSIHA-UHFFFAOYSA-N 401.301 5.266 0 40 HKAB Cc1cccc(OCC(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCCCC2)c1C 28291825 RTXNQNCQLBEKLO-DEOSSOPVSA-N 408.586 5.149 0 40 HKAB COc1cccc(COC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c1 28577884 OCFKMHWAPGTATQ-UHFFFAOYSA-N 407.249 5.531 0 40 HKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)OCc3nc4ccccc4[nH]3)cc12 33631740 YKAHDWARRPILLU-UHFFFAOYSA-N 422.897 5.282 0 40 HKAB O=C(CN1CCC(C(=O)c2ccc(F)cc2)CC1)Nc1ccccc1-c1ccccc1 35315484 FISIRBJUOZXGEA-UHFFFAOYSA-N 416.496 5.026 0 40 HKAB CN(C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1nccc2ccccc12 60322151 FSRXIHUKORDYDE-UHFFFAOYSA-N 416.352 5.136 0 40 HKAB CSc1cccc(NC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)c1 64872366 PNEPSFLSRYYNGM-UHFFFAOYSA-N 424.978 6.833 0 40 HKAB Cc1cc(C)cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)c1 67293138 BTXGXLDXUFEIQS-RWEWTDSWSA-N 406.869 5.458 0 40 HKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(F)cc3C)oc12 67295770 FTLHWYCEFWLCLZ-PNHLSOANSA-N 417.440 5.077 0 40 HKAB COc1ccc2oc(/C=C/C(=O)Nc3ncc(Cc4cccc(C)c4)s3)cc2c1 67339564 LLLHTOBFVQNCAG-VQHVLOKHSA-N 404.491 5.449 0 40 HKAB O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)NCCCc1nccs1 69387028 WXKPCEIGDPAGKR-OAQYLSRUSA-N 416.999 5.368 0 40 HKAB CCn1ccnc1[C@@H](CCc1ccccc1)OC(=O)c1csc(-c2ccoc2)n1 72314161 WKRYFVGIJXSVQJ-LJQANCHMSA-N 407.495 5.150 0 40 HKAB CCc1cc(Br)c2oc(-c3ccc(Br)cc3Cl)nc2c1 73638118 HGTDFBDJELVXDI-UHFFFAOYSA-N 415.512 6.236 0 40 HKAB CCc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccc(F)cc5)cn34)n2)cc1 96038141 NKOPGMFUILCNLM-UHFFFAOYSA-N 424.479 5.746 0 40 HKAB S=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1ncc(Cl)cc1Cl 223985210 HFPZYOUEQJTNQD-UHFFFAOYSA-N 414.789 5.840 0 40 HKAB Cc1cnc(NC(=S)NCC2(c3cccc(Cl)c3)CCCCC2)c(Cl)c1 224001270 WKXUJTIPMKMBHK-UHFFFAOYSA-N 408.398 5.885 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccc(Cl)cc1 224165080 VNSPCPKRRGOYBL-HNNXBMFYSA-N 413.876 5.558 0 40 HKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)c1 224247041 XGGGOMUVSQZHKU-ZEQRLZLVSA-N 411.530 5.827 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COCc1ccccc1 224461469 JFRSOZLGRKPVJA-UHFFFAOYSA-N 415.411 5.683 0 40 HKAB COc1ccc(/C=C(/C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2)cc1 224855626 DUNXQOIIMWVSBY-RCCKNPSSSA-N 413.395 5.773 0 40 HKAB O=C(O)[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1ccc(Cl)cc1 225133512 GIDWTKVEMGZEDI-FQEVSTJZSA-N 403.261 5.860 0 40 HKAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccccc2)CCCCC1 225534037 OLCBDOFGIKKXDU-UHFFFAOYSA-N 406.570 5.392 0 40 HKAB Cc1ccc(-c2nnc(NC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)s2)cc1 225534783 GEZZQZVOKBOKNS-CQSZACIVSA-N 401.919 5.190 0 40 HKAB CCOc1ccc([C@H](C)NC(=S)Nc2cccc(OC(C)C)c2)cc1OCC 225751713 ZNBXAWSMMQISKN-INIZCTEOSA-N 402.560 5.319 0 40 HKAB COc1c(Cl)cc(-c2nc3cc(NC(=O)C(F)(F)F)ccc3o2)cc1Cl 226272130 RSCGIZOJMVIRHX-UHFFFAOYSA-N 405.159 5.311 0 40 HKAB O=c1[nH]c2c(s1)[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 245225862 VTAYVTORGQTMSX-FFZBTMFNSA-N 421.587 5.668 0 40 HKAB COc1ccc([C@H]2C[C@](C)(NC(=O)C(C)C)C[C@@H](c3cccc(Cl)c3)O2)c(F)c1 257295490 QYMRVXICSOHGHZ-QZNHQXDQSA-N 419.924 5.611 0 40 HKAB CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)o1 408634825 VDZDMEGTQWGYPD-PTNGSMBKSA-N 419.890 5.047 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2cccc(C)c2C)cc1 408696268 YZXZNJRDDUTBLZ-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB CCCc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc(OC)c(OC)c1 408834187 TZCQMIQCAFDOKZ-UHFFFAOYSA-N 416.930 5.686 0 40 HKAB COc1ccc(-n2cccc2/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 409191593 IQCDKBYQSDLAEA-CPNJWEJPSA-N 410.882 5.380 0 40 HKAB CN1C(=O)S/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)C1=O 409353193 HYCIRVQMTZHVCK-UDWIEESQSA-N 409.894 5.738 0 40 HKAB O=C(CN1C(=O)S/C(=C/C=C\c2ccccc2)C1=O)Nc1cccc2ccccc12 409360199 ZAONUCPULKZRQZ-FCDUUAIVSA-N 414.486 5.071 0 40 HKAB Cc1ccc2cc(CN(C(=S)Nc3ccc(F)cc3)C3CCCCC3)c(=O)[nH]c2c1 874599 BGDVMZBOKDHTHS-UHFFFAOYSA-N 423.557 5.507 0 40 HKAB Cc1ccc(NC(=S)N(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCC2)cc1 907811 PUZHIWHUMDKJFY-UHFFFAOYSA-N 405.567 5.287 0 40 HKAB Nc1c(C(=O)Nc2ccccc2C(F)(F)F)sc2nc(-c3ccncc3)ccc12 1026450 ORFFBGKTRLHHSC-UHFFFAOYSA-N 414.412 5.212 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2C)c(C)c1 1256114 FFARQBJXQCJPMX-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB COc1ccc(NC(=S)N2CCS[C@H]2c2c(F)cc(F)cc2F)cc1Cl 1441301 ZWLHMOJGQUUJKJ-INIZCTEOSA-N 418.893 5.210 0 40 HKAB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccc(Cl)cc1 2065925 ZANHYTNTARQFMH-UHFFFAOYSA-N 418.008 7.063 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cc(C)cc23)cc1 2079774 OCTAARRPYCKJGM-UHFFFAOYSA-N 400.909 6.733 0 40 HKAB CSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccc(Cl)cc1Cl 2181045 XQBZQOPWYDSUBH-UHFFFAOYSA-N 419.358 6.143 0 40 HKAB Cc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccccn2)cc1 2364147 NSKGNGANLFGQON-UHFFFAOYSA-N 408.530 6.083 0 40 HKAB CC(C)CO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1c(Cl)cccc1Cl 2371548 ASSZGSOQTNEMOZ-NIYFSFCBSA-N 416.285 5.327 0 40 HKAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2Cl)cc1 2447321 NSBXZGCHUKVULL-UHFFFAOYSA-N 421.287 5.951 0 40 HKAB Clc1ccc(-n2cc(-c3ccccc3)c3c(NC4CCCCCC4)ncnc32)cc1 2714446 KGCXJLPLISCGNA-UHFFFAOYSA-N 416.956 6.876 0 40 HKAB Cc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c3ccccc3n2)cc1 2749195 IZSHLKRTCGSDGO-UHFFFAOYSA-N 420.556 6.305 0 40 HKAB CSc1cccc(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)c1 3351946 DFKKIQXUXJUKIK-UHFFFAOYSA-N 419.571 6.840 0 40 HKAB Cc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)c(Cl)c3)nc2c1-c1ccccc1 3765214 ITUGAZKYDOPYEG-UHFFFAOYSA-N 422.237 6.697 0 40 HKAB CCCOC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCC2 4321587 PIMYGVCXHFRYSY-UHFFFAOYSA-N 401.572 5.349 0 40 HKAB CSc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 4715890 AUGWBHHCYWRYCK-DENIHFKCSA-N 410.926 6.206 0 40 HKAB CCCCCCOc1ccc(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 5236250 KNTVIJMLCMESOO-UHFFFAOYSA-N 423.431 5.460 0 40 HKAB COc1ccc(CCNS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1 5481958 BHXYLMUTLZRUHF-UHFFFAOYSA-N 417.615 5.586 0 40 HKAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)N1CCc2ccccc21 5795243 BZKKPTPEBYVSEO-HNNXBMFYSA-N 407.539 5.104 0 40 HKAB CCOc1ccc2nc(SCC(=O)Nc3cccc(Oc4ccccc4)c3)[nH]c2c1 6000396 URTHYNVAJXAECY-UHFFFAOYSA-N 419.506 5.485 0 40 HKAB Cc1ccccc1N1C[C@H](c2nc3ccccc3n2C[C@H]2CC2(Cl)Cl)CC1=O 7343665 FMARQULHVSDQAA-HZPDHXFCSA-N 414.336 5.059 0 40 HKAB COc1ccc(-c2nc(CN(Cc3ccco3)Cc3ccco3)cs2)cc1OC 7726790 KEFMUFMLUCDZMJ-UHFFFAOYSA-N 410.495 5.216 0 40 HKAB Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1 7940023 FNAOLYWGCSWULD-UHFFFAOYSA-N 414.436 5.145 0 40 HKAB CCOc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 8187106 RCBXZSKJGCNFMJ-UHFFFAOYSA-N 409.829 5.301 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 8383062 IIOQQBXYIHTXSU-UHFFFAOYSA-N 407.853 5.000 0 40 HKAB Cc1ccc(NCc2nn(CC(=O)c3ccccc3)c(=S)n2-c2ccccc2)cc1 8412072 YCWLFSKDEDWQKU-UHFFFAOYSA-N 414.534 5.207 0 40 HKAB COc1ccc(NC(=O)c2ccc(CN(C)Cc3ccc(SC)cc3)cc2)cc1 8428038 FCYNIQNSYQTUEP-UHFFFAOYSA-N 406.551 5.301 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(F)c(F)cc1Cl 8856823 ZOUAWCQQQLJAJE-UHFFFAOYSA-N 421.852 5.776 0 40 HKAB COc1ccc(NC(=O)Cc2csc(SCc3cccc(Cl)c3)n2)cc1 8938548 QWIAQSMQYANIIX-UHFFFAOYSA-N 404.944 5.279 0 40 HKAB O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1cccc(C(F)(F)F)c1 9366833 ZFBSISGZQVNOBK-UHFFFAOYSA-N 413.421 5.241 0 40 HKAB COc1ccccc1[C@@H]1c2c(-c3ccc(C)cc3)n[nH]c2C(=O)N1[C@@H]1C=CC(F)=CC1 9374999 PLXXGFPCKRYQJD-HOYKHHGWSA-N 415.468 5.121 0 40 HKAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC(c2nc3ccccc3s2)CC1 9816534 KUOPHOZPZXMLDI-UHFFFAOYSA-N 422.937 6.230 0 40 HKAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccc(F)cc1Br 10985670 DTLUBKPUGIPGEX-UHFFFAOYSA-N 420.307 5.050 0 40 HKAB CCCCN(CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@@H]21 12864396 JZPFBQTVTHEIAT-MWXBQQNOSA-N 418.666 5.327 0 40 HKAB biogenic COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3NC(=O)N2c2ccccc2)cc1 13122087 YZZHNVFJPXZURZ-QHCPKHFHSA-N 410.477 5.331 0 40 HKAB COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccccc2C)cc1 13661927 UBQWJYUMTRQXJS-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1c2ccccc2Sc2ccccc21 13717194 VYKBAXQSVMRSOI-UHFFFAOYSA-N 420.843 7.194 0 40 HKAB O=C(COc1ccccc1)c1cn(CCOc2ccccc2Cl)c2ccccc12 14135920 XQBYOOZSVFNXSB-UHFFFAOYSA-N 405.881 5.635 0 40 HKAB CN(C)[C@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccc(C(C)(C)C)cc1 15859875 RFIWKACKDHZJNK-GOSISDBHSA-N 415.002 5.885 0 40 HKAB Cc1nc2ccccc2nc1CN(C(=O)Cc1ccccc1)c1ccc(Cl)cc1 16265169 XAQDZCFRLHMNOK-UHFFFAOYSA-N 401.897 5.368 0 40 HKAB CC1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2Cl)CC1 17091790 ZPSDNBVIQNAEAW-UHFFFAOYSA-N 419.377 6.697 0 40 HKAB COc1cccc(-c2nn(Cc3cccc(F)c3)c(-c3cccc(OC)c3)c2Cl)c1 17093317 HOAIBYRMBWHERW-UHFFFAOYSA-N 422.887 6.075 0 40 HKAB O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 18155758 MLORWQSOIOMVMV-PSWAGMNNSA-N 423.468 5.028 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 21578706 CHROCWOTKXLZCY-UHFFFAOYSA-N 406.507 5.529 0 40 HKAB COc1cccc(CCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1OC 22283707 PRNZZFUVMBVGGC-UHFFFAOYSA-N 402.450 5.083 0 40 HKAB COc1ccc(-n2c(=S)[nH]c3sc(C)c(-c4ccc(Cl)cc4)c3c2=O)cc1 26840999 GIQJKDLTEIQYEB-UHFFFAOYSA-N 414.939 5.747 0 40 HKAB Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)NC1CCCCC1 32609873 UTBXWMPHVZFFKL-UHFFFAOYSA-N 411.333 5.297 0 40 HKAB Cc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)N(C)C2=S)cc1Cl 33479753 NSOMVCUJKRHHHC-SXGWCWSVSA-N 421.747 5.015 0 40 HKAB Cc1ccc(C)c(-c2nn(CN(C)Cc3ccc(F)cc3F)c(=O)c3ccccc23)c1 40051349 QCACIVHWFGTCJU-UHFFFAOYSA-N 419.475 5.048 0 40 HKAB O=C(NCc1cccc(COCc2ccccc2)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1 44524017 PMEXUECNIUSGJZ-LEWJYISDSA-N 405.460 5.388 0 40 HKAB COc1cc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)c(OC)cc1Cl 57315793 NGOWTKFGKIYZFW-UHFFFAOYSA-N 405.922 5.451 0 40 HKAB O=C(Nc1ccc2nc(SCc3ccccn3)sc2c1)c1ccc(Cl)cc1 59417568 GLGVVMFWDUSKHT-UHFFFAOYSA-N 411.939 5.889 0 40 HKAB CCOc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1 67294474 OFNNSYNMMISDMN-PNHLSOANSA-N 418.880 5.970 0 40 HKAB Cc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)ccc1Cl 67294625 GVPKNEVQQOUIHR-VYIQYICTSA-N 423.299 6.533 0 40 HKAB COc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1 67297500 ABISJIXYDBPFIF-RWEWTDSWSA-N 404.853 5.580 0 40 HKAB COc1cccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc23)c1 72328460 RVHFOORYMMFIRH-UHFFFAOYSA-N 409.917 5.135 0 40 HKAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(-c2noc(CC(C)(C)C)n2)cc1 84169949 CJRKCCIFIJLATH-UHFFFAOYSA-N 420.538 5.207 0 40 HKAB C(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)[C@@H]1CCC[C@@H]1N2c1ccccc1 91296954 KHSAHMCGJDNDEG-FIBWVYCGSA-N 413.564 8.063 0 40 HKAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1nc(-c2ccc(Cl)cc2)cs1 95481889 PSHPELNNLMBMDB-UHFFFAOYSA-N 424.913 5.475 0 40 HKAB O=C(NCc1ccccc1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344098 NAKIEXDXEXODLM-DEOSSOPVSA-N 416.565 5.188 0 40 HKAB Clc1ccc2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1[C@H](c1cccs1)O2 101509481 YQWFXWDKBISWTO-URXFXBBRSA-N 416.933 6.797 0 40 HKAB CCC[C@H]1[C@@H](c2ccccc2)N[C@H](c2ccccc2)[C@H](C)[C@@]1(O)c1ccc(F)cc1 106013330 FWIMWRAGFVUMJK-VMHSGMROSA-N 403.541 6.152 0 40 HKAB CCOc1ccc2ccccc2c1C(=O)NCc1ccc([C@H](O)c2ccsc2)s1 207966377 ZUZZZANIKDVVAH-JOCHJYFZSA-N 423.559 5.373 0 40 HKAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222759705 ILTXVGZIDVCUBE-MSOLQXFVSA-N 404.322 5.251 0 40 HKAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccc2ccccc2c1 224309987 UELLCEAKMCNNPA-UHFFFAOYSA-N 411.501 5.666 0 40 HKAB C[C@@H](NC(=S)Nc1cccnc1Sc1ccc(Cl)cc1)c1ccc(F)cc1 225192369 ILHPRLOIOMOHSS-CYBMUJFWSA-N 417.962 6.073 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(Cl)c(Cl)c2)cc1N1[C@@H](C)CCC[C@@H]1C 226330884 GDRRNWKLLKBXLF-KBPBESRZSA-N 406.357 5.904 0 40 HKAB CCOc1ccc(-c2ccc(OC(=O)C(c3ccccc3)c3ccccc3)nn2)cc1 408530184 IZMMLVDPOXELAB-UHFFFAOYSA-N 410.473 5.280 0 40 HKAB Fc1ccc(CNC(=S)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 408572778 IEBWDZUOPKXBPK-UHFFFAOYSA-N 403.881 5.663 0 40 HKAB NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 408622745 RHRIDFVAYNFZAQ-JXMROGBWSA-N 401.249 5.004 0 40 HKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 408681476 WPBAQHDBDMQYNX-LJQANCHMSA-N 412.382 5.509 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2cc(Cl)ccc2C)cc1 408696838 CLTYBEKNPLHBSH-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1cccc(COc2ccccc2/C=C2\SC(=O)N(c3ccccc3)C2=O)c1 408820341 WYGPJWWUNZMPDW-JCMHNJIXSA-N 401.487 5.815 0 40 HKAB O=C1N/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1c1ccccc1 409017620 VJVXGZOUEDMFNT-KGENOOAVSA-N 404.853 5.016 0 40 HKAB CCOc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1ccccc1Cl 409111763 DVPHUCRTCMWFAK-UHFFFAOYSA-N 416.348 6.892 0 40 HKAB O=C(c1ccccc1)c1cc(C(=O)c2ccccc2)n2cnc(-c3ccccc3)cc12 1061291 AZJONZDHISBXRG-UHFFFAOYSA-N 402.453 5.463 0 40 HKAB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4C)cc3n2)cc1Cl 1264199 FWCFXSSWXOAURZ-UHFFFAOYSA-N 420.900 5.260 0 40 HKAB CCC(=O)N(CC[C@@H](c1ccccc1)c1ccc(OC)cc1)C[C@@H]1CCOC(C)(C)C1 1323160 LZDDYPLHIJEGQH-BWKNWUBXSA-N 423.597 5.661 0 40 HKAB biogenic O=C(NC1CC1)c1cc(-c2ccc(Cl)cc2)n(-c2cc(Cl)ccc2Cl)n1 1389668 KTBPDEVCDXWDKX-UHFFFAOYSA-N 406.700 5.392 0 40 HKAB O=C(C[C@@H](c1ccccc1)[C@H](C(=O)O)c1ccc(Br)cc1)c1ccccc1 1581038 NPAYRKZRMQPFGG-RBBKRZOGSA-N 423.306 5.674 0 40 HKAB CCCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCCC1)Cc1ccccc1-2 1821958 XVPQXGKYYHGDCN-UHFFFAOYSA-N 420.578 5.812 0 40 HKAB biogenic Cc1c(Cl)ccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c1C 1926735 QUMKALPZPCWFHB-UHFFFAOYSA-N 408.885 5.227 0 40 HKAB Cc1ccc2ccccc2c1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 2074590 XBRBPWPLOWJSHM-UHFFFAOYSA-N 419.575 5.763 0 40 HKAB CCCC[C@@H](CC)CNC(=O)c1c(C)c(-c2ccc(OC)cc2)nc2ccccc12 2081726 ZGHWZVUNOHVSNO-LJQANCHMSA-N 404.554 6.165 0 40 HKAB Cc1ccc(Cl)cc1NCc1c(OCc2ccccc2F)ccc2ccccc12 2094015 KLQXBQVUZLODSB-UHFFFAOYSA-N 405.900 7.132 0 40 HKAB CCc1ccccc1N1COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C1 2115858 RKTZFFSADPJZSE-UHFFFAOYSA-N 411.501 5.611 0 40 HKAB biogenic CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 2269019 ADKBOWDJMNJRCQ-KRWDZBQOSA-N 400.478 6.026 0 40 HKAB COc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2cccc(OC)c2)cc1 2446905 HMHNSNFYYDYUEM-UHFFFAOYSA-N 417.534 5.552 0 40 HKAB Cc1ccc(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1C 2592863 AJFDQLPSURUCCO-UHFFFAOYSA-N 422.248 7.288 0 40 HKAB COc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)cc1 2704969 FPZCJRWWMINLNY-NRFANRHFSA-N 417.848 5.205 0 40 HKAB Cc1cc2sc(NC(=O)C(C)(C)c3ccc(Br)cc3)nc2cc1Cl 3172880 QSFWWLWCZAQGBK-UHFFFAOYSA-N 423.763 5.937 0 40 HKAB Fc1cccc(Cl)c1CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 3301678 QIUMGTWGKYOPMY-UHFFFAOYSA-N 407.901 6.290 0 40 HKAB O=C(Nc1ccccc1)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 3469568 AOQLEAPOINKTKR-UHFFFAOYSA-N 424.447 6.748 0 40 HKAB Cc1ccc(C)c(Cn2c([C@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)c1 4033506 RYLZSQNAIGMYQG-QHCPKHFHSA-N 409.533 5.218 0 40 HKAB CCOc1ccc(CNCC[C@@]2(CCC(C)C)CCO[C@H](C(C)C)C2)cc1OC 4073719 KNNBNGASMJWSSX-DQEYMECFSA-N 405.623 5.831 0 40 HKAB biogenic Cc1c(C(=O)NCCCN2CCCC[C@@H]2C)cc(-c2ccccc2)n1-c1ccccc1 4370003 AZVFYRVCSIHLKF-NRFANRHFSA-N 415.581 5.447 0 40 HKAB Cc1ccc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)cc1Cl 4727426 LDWIOTQKRUKXSA-UHFFFAOYSA-N 407.973 5.356 0 40 HKAB CC(C)c1nc(SCC(=O)OC2CCCCC2)c2c3c(sc2n1)C[C@H](C)CC3 4847492 MIRJRUGZZZIFPD-CQSZACIVSA-N 418.628 5.908 0 40 HKAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Br)cc2)on1 4880646 VTTDMHBJFAKQDM-UHFFFAOYSA-N 407.651 5.018 0 40 HKAB CC(C)(C)C1CCC(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)CC1 4926845 QIKUHWVEPGLKBW-UHFFFAOYSA-N 407.554 5.288 0 40 HKAB O=[N+]([O-])c1ccc(C=NNc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)cc1 5002825 HHNZRANTXJYIIH-UHFFFAOYSA-N 413.412 5.304 0 40 HKAB Fc1ccccc1-c1nnc(SCc2ccccc2Br)n1C1CC1 5333596 OARLPUZUKQITNM-UHFFFAOYSA-N 404.308 5.474 0 40 HKAB CC[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(C)cc1 6172305 AZWQQBIQGUJTFO-KRWDZBQOSA-N 401.919 5.058 0 40 HKAB O=C(c1cccs1)N(c1ccc(Cl)c(Cl)c1)c1nc2ccccc2s1 6640412 UPCSEZXLTRPITG-UHFFFAOYSA-N 405.331 6.643 0 40 HKAB Fc1cccc(F)c1CSc1ncnc2scc(-c3ccc(Cl)cc3)c12 6828662 WJNCEAMJDKEAIS-UHFFFAOYSA-N 404.894 6.582 0 40 HKAB Fc1ccc(CNC(=S)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc1 7374562 VAEAZPZUKYORGD-LJQANCHMSA-N 409.555 5.165 0 40 HKAB COc1cc(CNCc2ccccc2C)ccc1OC[C@@H](O)c1ccc(C)c(C)c1 7736183 SVWMLJWWVVICBZ-XMMPIXPASA-N 405.538 5.023 0 40 HKAB Cc1cccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1C 8071656 KMQSUAABEOMYDB-UHFFFAOYSA-N 414.299 5.021 0 40 HKAB COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc(Cl)c2)cc1 8612033 XZJJFRJUJUBDFA-UHFFFAOYSA-N 418.880 5.037 0 40 HKAB C[C@@H](NC(=O)c1ccccc1CSc1ncn[nH]1)c1ccc(-c2ccccc2)cc1 9575833 UHVYOZUNQLHIRR-QGZVFWFLSA-N 414.534 5.255 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 10315271 REXUYPCEMITRKW-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(OC(C)C)cc4)n3)oc12 10750220 JXXJAAHVFDPCGW-UHFFFAOYSA-N 422.506 5.995 0 40 HKAB O=c1c2c(nc(SCc3ccccc3)n1-c1cccc(C(F)(F)F)c1)CCS2 12140588 KXDKZVDPPZOYBF-UHFFFAOYSA-N 420.481 5.192 0 40 HKAB CCCOc1cc(Nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc(C)n1 12225939 ADPRKDZCXBLWEP-UHFFFAOYSA-N 411.893 5.615 0 40 HKAB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)/C=C/c1ccc(Cl)cc1 13370549 UEEUCAFSCMDHKM-VZUCSPMQSA-N 423.299 6.762 0 40 HKAB CC[C@H]1c2c(OC)cc(OC)c(OC)c2[C@@H](c2cc(OC)c(OC)cc2OC)[C@@H]1C 13439524 ZPOQFZFDKXZAGL-ZMOMAAQPSA-N 416.514 5.013 0 40 HKAB endogenous,in-man CSc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 13659748 KAOIMTDNPLHELO-XNMGPUDCSA-N 422.553 6.804 0 40 HKAB CCOC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 13687487 QSRYZIPHTWGGCF-UHFFFAOYSA-N 409.869 5.348 0 40 HKAB Fc1ccc(CCNCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1 16449996 PMPCVNSNMURNSX-UHFFFAOYSA-N 404.312 6.044 0 40 HKAB FC(F)(F)c1cc(SCc2nc3ccccc3[nH]2)nc2cc3c(cc12)OCO3 16525082 PQRHZBGYLWOPKL-UHFFFAOYSA-N 403.385 5.151 0 40 HKAB Cc1nc(-c2ccc(Cl)cc2)sc1CCNC(=O)c1ccccc1C(F)(F)F 16992065 TWHDPKQHYDVDQF-UHFFFAOYSA-N 424.875 5.763 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1cc(C(=O)O)ccc1Cl 18193607 PQSQCRCGKOIMAD-UHFFFAOYSA-N 404.702 5.217 0 40 HKAB Cc1ccc(OCc2nc(CC(=O)Nc3ccc(N4CCCCC4)cc3)cs2)cc1 18229653 DLOXYOSOGZMDPO-UHFFFAOYSA-N 421.566 5.202 0 40 HKAB CCC(CC)C(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19500168 PBVWZRHJLRGQEW-JOCHJYFZSA-N 415.541 5.382 0 40 HKAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1sc2ccccc2c1Cl 20139514 JWFLUCXLWLLMMJ-UHFFFAOYSA-N 418.301 6.213 0 40 HKAB O=C(CSCc1ccccc1Cl)NCCSCc1ccccc1Cl 20237991 ZNHZOJJIHJEUBQ-UHFFFAOYSA-N 400.396 5.276 0 40 HKAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 20462450 INLIWOQYZKOZPR-GUMMOOENSA-N 419.565 5.959 0 40 HKAB COC(=O)c1c(-c2cccs2)csc1NC(=O)COc1ccc(Cl)c(C)c1 21785458 GFHGOWWLDPGDBD-UHFFFAOYSA-N 421.927 5.243 0 40 HKAB CCOc1ccc(CNC(=O)[C@H](CC)Oc2cccc3ccccc23)cc1OCC 30754080 KHGPGTOYCUDZHA-NRFANRHFSA-N 407.510 5.111 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)CSCc2c(F)cccc2Cl)cc1 30860091 BQIAVWIREHEDDQ-FQEVSTJZSA-N 409.954 5.625 0 40 HKAB O=C(CSCc1csc(-c2ccco2)n1)N1CCC(Cc2ccccc2)CC1 31420351 NIBJMBKSWMRXIS-UHFFFAOYSA-N 412.580 5.118 0 40 HKAB CCCc1ccc([C@@H](NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c2cccs2)cc1 32879725 HSUOBIVVAKCXSJ-AUSIDOKSSA-N 422.525 5.171 0 40 HKAB CCOc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 33663815 LWTGLBOJHMCBFL-UHFFFAOYSA-N 404.510 5.332 0 40 HKAB CCc1c(C(=O)Nc2ccc(C)cc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 36639821 REXYOKPBLSSDQU-UHFFFAOYSA-N 423.476 5.199 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 39724095 AZNCYVNGINBABY-HNNXBMFYSA-N 424.378 6.021 0 40 HKAB CC[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(C)cc1 44901352 BXXRPQXZMAEVOQ-DEOSSOPVSA-N 405.563 6.047 0 40 HKAB O=C(Nc1c(Cl)cncc1Cl)c1ccc(OCC2CC2)c(OC(F)F)c1 49135178 VXNCCFGMEHFNBA-UHFFFAOYSA-N 403.212 5.031 0 40 HKAB in-vitro O=S(=O)(c1cc(F)cc(F)c1)c1cnc2cc(F)ccc2c1-c1ccc(F)cc1 67335413 KMHZVMJTCPJKKY-UHFFFAOYSA-N 417.383 5.291 0 40 HKAB Cc1nn(Cc2ccccc2)c(Cl)c1CN[C@H](c1nc2ccccc2[nH]1)C(C)C 72276805 XMDFUQTWFDBKHW-NRFANRHFSA-N 407.949 5.256 0 40 HKAB Cc1nn(C(C)C)c(C)c1CN1CCC[C@H]1c1ccc(Nc2ccc(F)cn2)cn1 72353201 LNJZHUMVMUCIIT-QFIPXVFZSA-N 408.525 5.091 0 40 HKAB O=C(Nc1ccccc1Cl)NC1(c2nc(-c3ccsc3)no2)CCCCC1 77197569 KZOIBNDSENINGF-UHFFFAOYSA-N 402.907 5.433 0 40 HKAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccccc2OCc2cccc(F)c2)S1 85412280 UNKLHDHNRAKKFA-FQEVSTJZSA-N 411.502 5.362 0 40 HKAB Cc1cccc(C)c1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 103593019 LFIVQOVFNUYDPB-ADERTHHOSA-N 422.572 6.852 0 40 HKAB CCCSc1nnc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)s1 222547122 NGXHSMBPXWZPPN-UHFFFAOYSA-N 419.959 5.525 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 222683317 MFCPWLAJDBUOOT-MRXNPFEDSA-N 422.337 5.616 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)c1 224252158 PGYHITCBDBACFU-DHIUTWEWSA-N 402.567 5.484 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(CSc2ccccc2)cc1 224939969 NLRFTABANLNVOP-UHFFFAOYSA-N 402.563 6.222 0 40 HKAB CO[C@@H](CNC(=O)NC(c1ccccc1)c1ccccc1)c1ccc(Cl)s1 225709642 ULYWZJLYBIYIKM-KRWDZBQOSA-N 400.931 5.178 0 40 HKAB Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)c(Cl)c1 227148163 WWRLFGKBBWPJAN-JXMROGBWSA-N 417.690 5.597 0 40 HKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccc(F)c(Cl)c1)C[C@]2(C)NC(=O)C1CCCC1 257269613 MQRHTMAEKGMVEB-SLHNMUTGSA-N 407.957 5.810 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(F)cc2)cc1 408615403 PXLONOMZYJQTHZ-UHFFFAOYSA-N 404.485 5.306 0 40 HKAB CC(C)(C)C(=O)NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1Cl 408627736 NIMPDADYDGSATM-UHFFFAOYSA-N 403.960 5.476 0 40 HKAB Clc1cccc(COc2cccc(CNc3ccc(Oc4ccccc4)cc3)c2)c1 409114316 JAVMANSIKWNEHS-UHFFFAOYSA-N 415.920 7.323 0 40 HKAB O=C(CSc1ccc2ccccc2c1)Nc1ccc(Br)c(Cl)c1 409176535 QJEXMXRAVUXNKL-UHFFFAOYSA-N 406.732 5.987 0 40 HKAB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccccc3)o2)C1=O)c1ccccc1 409220266 VQSJIMALNAEPLI-UYRXBGFRSA-N 421.499 5.350 0 40 HKAB Cc1ccc(CNC(=O)C2CCN([C@H](C)c3cccc4ccccc34)CC2)cc1F 516739359 KAPHBNJZBNOAJU-LJQANCHMSA-N 404.529 5.377 0 40 HKAB CC(C)N(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)C[C@H](c1ccsc1)n1cccc1 524730279 DAWFPXPUEOSKDZ-MDNUFGMLSA-N 413.631 5.031 0 40 HKAB biogenic O=C(CC[C@@H]1CCCO1)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643576457 ZYRMKYYHZKJYCS-NRFANRHFSA-N 424.541 5.115 0 40 HKAB Cc1cccc(NC(=O)c2c(NC(=O)c3ccccc3F)sc3c2CCCC3)c1 707699 QEKBNAOQWLECCM-UHFFFAOYSA-N 408.498 5.579 0 40 HKAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cccc(C)c1 832584 SUTOSXWINQJYJK-UHFFFAOYSA-N 402.523 5.157 0 40 HKAB CCOc1cnn(-c2ccccc2)c(=O)c1SCc1ccc(Cl)c(Cl)c1 1693182 KBTMJKPQACLKIV-UHFFFAOYSA-N 407.322 5.230 0 40 HKAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc4c(c3)Cc3ccccc3-4)NC(=O)CN21 2213206 TXDAASGZGOCLDL-DTQJJDMLSA-N 406.529 5.203 0 40 HKAB COc1ccc(CCn2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1 2249344 CJGSKKCZVKJUGJ-UHFFFAOYSA-N 414.896 5.551 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 2328907 CCBNQKADENDQLT-UHFFFAOYSA-N 400.434 5.278 0 40 HKAB Cc1sc2nc(SCc3ccc(F)cc3)n(Cc3ccco3)c(=O)c2c1C 2409380 GVMZISOLMKGAQH-UHFFFAOYSA-N 400.500 5.148 0 40 HKAB CC[C@H](C)Sc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1 2721780 ZLMXKTZXKJHJTD-NSHDSACASA-N 413.973 5.780 0 40 HKAB COCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccc(OC)cc2)cs1 4169358 VULGMJFOVVOMTF-UHFFFAOYSA-N 424.566 5.409 0 40 HKAB OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1cccnc1N1CCCCC1 4512548 CWIRQVPODGMDMN-UHFFFAOYSA-N 413.348 5.663 0 40 HKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(Cl)c2Cl)N3)C1 4783890 CAFFSDQFPLKVRN-DYZYQPBXSA-N 409.382 6.635 0 40 HKAB CC1=C(CC[C@@H](C)CO)O[C@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12 4901236 IQDKIMJGXXRZGR-HUEIYZRMSA-N 416.646 5.698 0 40 HKAB in-vitro Cc1cccc(C(=O)N(c2nnc(-c3ccc(C(C)(C)C)cc3)s2)C2CCCC2)c1 4982684 SXRGOPFDPCQOBF-UHFFFAOYSA-N 419.594 6.400 0 40 HKAB C[C@@H]1CC(C)(C)Nc2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 5002804 YOUGJMGBZBHYKE-HSZRJFAPSA-N 417.596 7.767 0 40 HKAB CC(C)COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1 5632915 YJKSHUMGEOVWHL-UHFFFAOYSA-N 420.896 6.435 0 40 HKAB Cc1cccc2c1C(=O)OC2(c1cccc2ccccc12)c1cccc2ccccc12 5813404 XACLMDHBNPYJIR-UHFFFAOYSA-N 400.477 6.764 0 40 HKAB CCCCCOc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3[C@H](C)CCC)cc1 5932634 WPSBKVYQGQAQNI-FOIQADDNSA-N 417.575 5.531 0 40 HKAB O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1cc(Cl)ccc1Cl 6038238 LKXYPGBCWBABQS-UHFFFAOYSA-N 415.276 5.533 0 40 HKAB COc1ccc(CCC(=O)OCc2csc(-c3ccc(Cl)cc3)n2)cc1OC 6561218 FWJOEBQEWJIKSF-UHFFFAOYSA-N 417.914 5.157 0 40 HKAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)C12CC3CC(CC(C3)C1)C2 6753509 IFBHWTRVLMGAMR-UHFFFAOYSA-N 423.384 5.387 0 40 HKAB O=C(CSc1ncnc2sccc12)N(Cc1ccc(F)cc1)C1CCCCC1 7329414 VZSOUQJZTFLZTA-UHFFFAOYSA-N 415.559 5.284 0 40 HKAB O=C(Nc1ccc(F)cc1)[C@@H](Sc1nc(-c2ccccc2)n[nH]1)c1ccccc1 7471701 MEBFHTCXBADPMO-IBGZPJMESA-N 404.470 5.083 0 40 HKAB Cc1cc(Cl)ccc1OCC(=O)Nc1cc(Cl)ccc1N1CCCCCC1 8229562 XBZRQULKEBUQJD-UHFFFAOYSA-N 407.341 5.700 0 40 HKAB Cc1cc(C)c(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)c(C)c1 8333578 AZSTXIRROXQEFQ-UHFFFAOYSA-N 418.411 5.130 0 40 HKAB CNCc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 8377324 PSXQXNHZOFFQEO-UHFFFAOYSA-N 405.119 5.063 0 40 HKAB CCCOc1ccc(-c2cn3c4c(sc3n2)C(=O)C[C@H](c2ccccc2)C4)cc1 12436632 MJKYIBXHUMCZJJ-GOSISDBHSA-N 402.519 5.764 0 40 HKAB O=C(c1ccco1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 12768115 MARQELWXPFXRKP-ZDUSSCGKSA-N 423.321 5.536 0 40 HKAB CC(=O)Nc1ccc(NC(=O)C2(c3cccc(Br)c3)CCCC2)cc1C 12821356 LOJHFJMMPMOCEF-UHFFFAOYSA-N 415.331 5.166 0 40 HKAB O=C(Nc1c(-c2cc(=O)oc3cc4c(cc23)CCC4)oc2ccccc12)c1ccco1 12893265 OVCIOVNWAYMDSC-UHFFFAOYSA-N 411.413 5.540 0 40 HKAB biogenic CCOc1cc(/C=C(\Cl)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OC 13097142 ITMGMTABSQVUOM-UVTDQMKNSA-N 416.930 5.008 0 40 HKAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)s1 13141775 YVMQWYBVBZPUTD-UHFFFAOYSA-N 417.939 5.657 0 40 HKAB O=C(CCc1ccccc1)Nc1nc(-c2cccs2)c(NC(=O)c2ccco2)s1 13569936 AJBIXNAPELBFOY-UHFFFAOYSA-N 423.519 5.288 0 40 HKAB O=C(Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2)c1ccc(C(F)(F)F)cc1 13695041 OZWKFEWMSSLVGX-UHFFFAOYSA-N 402.416 5.037 0 40 HKAB Fc1ccccc1CCNCc1ccccc1OCc1ccc(Cl)cc1Cl 16449562 KMYZYTQDADJNEE-UHFFFAOYSA-N 404.312 6.044 0 40 HKAB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@@H]12 16606284 CVRZXPKNFROQAJ-PJYWLYPCSA-N 413.904 5.085 0 40 HKAB Cc1ccccc1-c1nc2cc(NC(=O)c3cccc4c(Cl)cccc34)ccc2o1 17089401 UZJATTSVARHVSE-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB Cc1nccn1-c1ccccc1CNC(=O)CSCc1c(Cl)cccc1Cl 20044841 ZEVFXEGDKWKWQG-UHFFFAOYSA-N 420.365 5.037 0 40 HKAB O=C(CSCc1ccccc1Br)Nc1c(Cl)cccc1Cl 20244121 PMPHBJSBQMXRLB-UHFFFAOYSA-N 405.144 5.628 0 40 HKAB CC(C)Oc1ccc([C@H]2CC(=O)Nc3c2cc(Br)c2ccccc32)cc1 20851434 OEPKTPBCLGWPHN-GOSISDBHSA-N 410.311 5.864 0 40 HKAB CN(C)c1ccc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cn1 24207453 MABFEWQKKOPFEA-UHFFFAOYSA-N 412.493 5.041 0 40 HKAB Cc1cccc(OCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)c1C 27664543 DOOPKWSASHHIHM-QFIPXVFZSA-N 414.977 5.069 0 40 HKAB Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)N3CCCC3)c(C)c2cc1Cl 28288056 LDFZVPXLPKGFOP-KRWDZBQOSA-N 402.947 5.331 0 40 HKAB Cc1nn(-c2ccc(Cl)c(Cl)c2)c(C)c1CC(=O)N(Cc1ccco1)C1CC1 32159900 PLFPABJLGJCDAO-UHFFFAOYSA-N 418.324 5.123 0 40 HKAB COc1ccc2c(c1)c(C(=O)CN1CCc3ccccc3C1)c(C)n2Cc1ccccc1 34847985 ZEARLYMEIRQJCX-UHFFFAOYSA-N 424.544 5.248 0 40 HKAB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2ccc(Cl)cc2Cl)S1 35043349 FNMOLYVRGHHWKC-VIZOYTHASA-N 407.278 5.082 0 40 HKAB O=C(NCCSCc1ccsc1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 36396864 HYQSGVULCLPJAC-DLBZAZTESA-N 414.621 5.457 0 40 HKAB CC(C)(C)c1ccc(Br)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 41105657 LICFVCDHSDWBPK-UHFFFAOYSA-N 402.741 5.201 0 40 HKAB CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(C(F)(F)F)c1 44087837 OEZHNACMBKSFCZ-UHFFFAOYSA-N 403.256 6.587 0 40 HKAB Cc1ccc(CCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 44909478 SUNJGUYIYIJHNF-UHFFFAOYSA-N 419.396 5.263 0 40 HKAB Cc1nc(-c2ccccn2)sc1C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 64951344 GZDYEWKIFOOHRT-UHFFFAOYSA-N 406.338 5.485 0 40 HKAB COCc1nc(N[C@H](COC)c2ccc(C)o2)c2c(-c3ccccc3)csc2n1 72310986 KASFOOZNXRAWPN-QGZVFWFLSA-N 409.511 5.206 0 40 HKAB CC(C)n1cc(CC(=O)NCCc2nc3ccccc3n2C(C)C)c2ccccc21 79480355 YGDWAMXXVOTWPC-UHFFFAOYSA-N 402.542 5.054 0 40 HKAB COc1ccccc1/C=C1/CCC[C@H]2C1=NN(C(=O)C1CC1)[C@H]2c1ccccc1OC 83976123 LDBGZTMDCAXTSF-RHFGZCFCSA-N 416.521 5.237 0 40 HKAB CN(C)c1cc(C(F)(F)F)cc(-c2ccccc2NC(=O)c2ccccc2Cl)n1 91695535 SFNPMZKHCHLBIO-UHFFFAOYSA-N 419.834 5.739 0 40 HKAB COc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 107039361 GNOLRTQUDLLJBO-UHFFFAOYSA-N 422.739 6.847 0 40 HKAB CCOc1cc(CNc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1 107580223 PQBPAGKGZPVXBX-UHFFFAOYSA-N 420.509 5.032 0 40 HKAB CCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](OC(=O)CC)[C@@]4(C)CC[C@@H]32)C1 118918403 ZDDFOEZPFDWEQS-ROKGUJHPSA-N 402.575 5.593 0 40 HKAB CC(C)c1ccc(CCCNC(=O)COc2ccc(Br)cc2Cl)cc1 218947579 YRWZXDFUBYILQL-UHFFFAOYSA-N 424.766 5.354 0 40 HKAB O=C(CSCc1ccccc1F)NCCSCc1ccc(Cl)c(Cl)c1 222700151 JPZXLMGYZJULOU-UHFFFAOYSA-N 418.386 5.415 0 40 HKAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 222890556 NNEPJCZZCQXDPR-AUJBFMOVSA-N 417.593 6.513 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(C)cc21 222938126 GXZFBQORPVEZMF-FGZHOGPDSA-N 409.570 5.869 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)cc1 225267621 GLTQERPUHSEUJS-UHFFFAOYSA-N 419.868 5.312 0 40 HKAB CC1CCN(CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)CC1 225436096 PTLFABGZQHGUKE-UHFFFAOYSA-N 413.656 5.387 0 40 HKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)CCCC2)c1 225509602 LOCDRZBSJUZWOO-UHFFFAOYSA-N 406.570 5.310 0 40 HKAB Fc1ccc(CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225547252 KDDXMVPZHZUJNN-UHFFFAOYSA-N 410.583 6.037 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@H](c2ccccc2C)C(C)C)cc1Cl 225761857 DAKJCYKYQAQHNH-IBGZPJMESA-N 404.963 5.509 0 40 HKAB CCOc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)Nc2ccc(Cl)cc2)cc1 226757724 UNSYRJKMBGKKKR-JOCHJYFZSA-N 414.332 6.818 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 408564148 SAQSQHVMWWFQCU-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(O)c1cccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1 408614026 XIXRPLIVFBWFEV-UHFFFAOYSA-N 420.267 6.022 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2cccc(C)c2)c1 408700003 YGJZDIVLUCVLCQ-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB COc1ccc(OC)c(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 408771556 JERCEYDERBTVAB-UHFFFAOYSA-N 413.926 5.902 0 40 HKAB Cc1ccc2c(Cl)c(C3=N/C(=C/c4cccc5ccccc45)C(=O)O3)sc2c1 408973210 XNFUQNNIVKGNOX-LDADJPATSA-N 403.890 6.361 0 40 HKAB O=C1N/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1cccc(Cl)c1 409095330 HEKIAQWOSLULIU-CIAFOILYSA-N 422.843 5.155 0 40 HKAB Cc1cc(C(=O)N2N=C3CC[C@H](C(C)(C)C)C[C@@H]3[C@@]2(O)C(F)(F)F)ccc1Cl 409181843 FWDQYUPAZGEPHW-CKFHNAJUSA-N 416.871 5.174 0 40 HKAB CC(C)C[C@@H](C(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC(C)C)n1cccc1 575443089 GJLLYKUCXPQLIK-PKTZIBPZSA-N 406.574 5.445 0 40 HKAB CC(C)=CCC[C@]1(C)Oc2ccc(-c3ccccc3C(=O)O)cc2[C@@H]2OCCC[C@H]21 585265752 PEDSDAYVRWFGDT-CWDLOFLHSA-N 406.522 6.417 0 40 HKAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)c1ccc(Cl)cc1)C2 643578580 YRDQXOVZFQHFJQ-YADHBBJMSA-N 411.977 5.039 0 40 HKAB CCOc1ccc(NC(=O)c2c(NC(=O)C(C)(C)C)sc3c2CCCCC3)cc1 722390 SUYCRYANDVPRED-UHFFFAOYSA-N 414.571 5.653 0 40 HKAB CCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2F)c2ccccc2)C[C@H]1C 822383 WJMKAUYKXYKQFP-KOSHJBKYSA-N 416.496 5.749 0 40 HKAB Cc1cccc2cc(CN(Cc3cccs3)C(=O)c3cccs3)c(Cl)nc12 1367598 ISQHYBKHZUOAPS-UHFFFAOYSA-N 412.967 6.162 0 40 HKAB Cc1cc(-n2nc3ccccc3n2)c2oc(SCc3ccc(Cl)cc3)nc2c1 1443424 IQZWXNICCALEPO-UHFFFAOYSA-N 406.898 5.816 0 40 HKAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 2059377 AREXZNBORZCNSL-UHFFFAOYSA-N 413.329 6.831 0 40 HKAB Cc1ccc(C2=CSC3=NC4=C(CCc5ccccc54)[C@@H](c4ccc(F)cc4)N23)cc1 2258618 VHJBQAXUJUTYQG-AREMUKBSSA-N 424.544 6.950 0 40 HKAB COc1ccc(-c2c(C(F)(F)F)oc3cc(OC(=O)C(C)(C)C)ccc3c2=O)cc1 2414795 FVVYNZUYLRWWHM-UHFFFAOYSA-N 420.383 5.439 0 40 HKAB biogenic Cc1ccc2c(c1)c1nnc(-c3ccc4c(c3)OCO4)c-1cn2Cc1cccc(F)c1 2688729 QFTLCYINJFWKKC-UHFFFAOYSA-N 411.436 5.428 0 40 HKAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(Cl)cc1 2889657 GQZLNOITFNOFRS-UHFFFAOYSA-N 406.290 5.761 0 40 HKAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=C1/C(=O)Nc2ccccc21 3225246 MMLYJDCEHKMNFN-MHWRWJLKSA-N 403.791 5.346 0 40 HKAB CC[C@@H](C)CCCCn1c(SCc2ccc(Cl)cc2)nc2ccccc2c1=O 3271371 NYKZHBCJOCIPIH-QGZVFWFLSA-N 415.002 6.559 0 40 HKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCc2ccccc21 3321725 UNFAWLNWRNEGNY-UHFFFAOYSA-N 412.514 5.690 0 40 HKAB CCCC1=C(C(=O)OC)[C@@H](c2ccc(Cl)cc2)NC(=O)N1c1ccc(Cl)cc1 3418858 XINHWEFJKNJKGB-LJQANCHMSA-N 419.308 5.492 0 40 HKAB COc1ccccc1-c1csc(NC(=O)c2cccc(Oc3ccccc3)c2)n1 4031552 FVBXGDDEKHWGFK-UHFFFAOYSA-N 402.475 5.863 0 40 HKAB O=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1ccc(Cl)c(Cl)c1 4092552 LZLZAAYTEBMRHN-UHFFFAOYSA-N 414.336 5.256 0 40 HKAB CCOC(=O)/C=C(\Nc1cc2cc(-c3ccccc3)n(C)c2cc1C)C(F)(F)F 4623933 HGQOGYJBLNHAGV-MOSHPQCFSA-N 402.416 5.575 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1Cl 4703902 QIUMYDLOCPUYOL-UHFFFAOYSA-N 406.869 6.108 0 40 HKAB Cc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)NCc2ccco2)cc1 4927694 SEPVPOJEEMKMRO-UHFFFAOYSA-N 403.507 5.054 0 40 HKAB SC1=NC(C2C3CC4CC(C3)CC2C4)=C[C@@H](c2ccc(Br)cc2)N1 5032934 SZLXSCZVCBIFBH-JGMYYXPNSA-N 403.389 5.335 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccccc1Cl 5478229 FYJPYLPWLGMWCA-UHFFFAOYSA-N 407.326 5.003 0 40 HKAB CC(C)C(=O)N[C@@H](Nc1cc(Cl)ccc1C(F)(F)F)C(Cl)(Cl)Cl 5481672 MCMPBLVFPXZEHR-LLVKDONJSA-N 412.066 5.239 0 40 HKAB Cc1ccc2nc([C@@H]3CCCN(C(=O)Nc4ccccc4-c4ccccc4)C3)[nH]c2c1 5988475 YYPAOTQVHFMHHO-HXUWFJFHSA-N 410.521 5.950 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(N2CCCC2=O)cc1 6225373 QSRFSBFKTVRFCR-UHFFFAOYSA-N 414.549 5.534 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)oc2c1 6302141 LUIXNULYVNBBID-UHFFFAOYSA-N 418.496 6.574 0 40 HKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)ccc2Cl)c1 6352382 CHROEUURYKMQIY-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCOc1ccc(-c2nonc2NC(=O)c2oc3cc(C)ccc3c2C)cc1OCC 6811521 HQDYBEGVOIHJOY-UHFFFAOYSA-N 421.453 5.149 0 40 HKAB Cc1ccc(NC(=O)NC2CC(C)(C)N(C(=O)Nc3ccc(C)cc3)C(C)(C)C2)cc1 6922922 VGCHUAZBMNLLLM-UHFFFAOYSA-N 422.573 5.679 0 40 HKAB CCN1C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)S/C1=N/c1ccc(OC)cc1 6954390 NBLWAINCENAPBH-CKAZZZDQSA-N 407.322 5.626 0 40 HKAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(COc3ccc(Cl)cc3)n2C)c1 7236248 UOWKIUFQODBCIT-HNNXBMFYSA-N 415.946 5.028 0 40 HKAB COc1cc(CNCc2cccs2)ccc1OCc1ccc(Cl)cc1Cl 8471682 ZZKCTIYLBBGYMF-UHFFFAOYSA-N 408.350 5.932 0 40 HKAB C[C@H](NC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccncc1 8723970 JHWCXBQRPBYNQG-KRWDZBQOSA-N 416.912 5.138 0 40 HKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NC(=O)c1cccs1 8901144 GSIINRNGSIPHGY-UHFFFAOYSA-N 420.515 5.119 0 40 HKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cc(Cl)ccc3Cl)sc2c1 8903142 HKIVDEBIXGTTFI-UHFFFAOYSA-N 423.321 5.812 0 40 HKAB Cc1cc(C)cc(-n2c(SCc3cn4ccsc4n3)nc3ccccc3c2=O)c1 9141613 ZQCKCVBDHHUOPA-UHFFFAOYSA-N 418.547 5.004 0 40 HKAB O=C(c1ccc(COc2ccccc2)o1)N1CCC[C@H]1c1nc2ccccc2s1 9582103 WFWAGNVUKQQVRJ-IBGZPJMESA-N 404.491 5.446 0 40 HKAB COc1cc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc(OC)c1OC 9600580 CWZFRLVMFYRDQE-UHFFFAOYSA-N 420.490 5.241 0 40 HKAB Clc1ccc(-c2csc(-c3cc4ccccc4o/c3=N\c3nccs3)n2)cc1 9762315 KBLYCXHVDYNMCI-PLRJNAJWSA-N 421.934 6.566 0 40 HKAB COc1cccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(Cl)cc4)c3n2)c1 9934560 XUXKBZMVCUCVHJ-UHFFFAOYSA-N 417.818 6.077 0 40 HKAB COc1cc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)cc(Cl)c1OC 13057951 HWNXBLFYTGFGOD-ZHACJKMWSA-N 401.934 6.256 0 40 HKAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cc(Cl)ccc1Cl 13568039 FWSJFPYYILIBJE-UHFFFAOYSA-N 414.248 5.458 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)Cn1nc(/C=C/c2ccccc2)[nH]c1=S 14186832 JTCXGNLTJQICHM-RDRICISKSA-N 407.568 5.371 0 40 HKAB COc1ccc2c(c1)CC[C@H](C)N2C(=O)c1ccccc1SCc1ccccc1 16609406 IQNZDXAWTUQNEI-SFHVURJKSA-N 403.547 5.969 0 40 HKAB Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 16741767 BSDNIJURQHXPFW-HXUWFJFHSA-N 405.837 5.093 0 40 HKAB COC(=O)c1sc2nc(Nc3ccccc3)/c(=N\c3ccccc3)sc2c1C 17154870 MBINCLXVPMCZDM-BSYVCWPDSA-N 407.520 5.429 0 40 HKAB Cc1ccccc1[C@H](NC(=O)CSCc1c(F)cccc1Cl)c1ccccc1 19932985 GPWXXJYWJCCHNY-HSZRJFAPSA-N 413.945 5.927 0 40 HKAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1sc2ccccc2c1Cl 20139517 ZSLWFUDSOSPLPR-UHFFFAOYSA-N 413.882 5.568 0 40 HKAB O=C(CSCc1cccc(Cl)c1)NCCSCc1ccc(Cl)cc1 20238058 CSIYAAAPZNTJED-UHFFFAOYSA-N 400.396 5.276 0 40 HKAB Cc1ccccc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20418395 GVXQCAUZGUMWGA-FQEVSTJZSA-N 403.869 5.218 0 40 HKAB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1ccc(-c2cccc(Cl)c2)o1 21123879 GCCGZKQIWYPHKQ-UHFFFAOYSA-N 421.869 5.019 0 40 HKAB COc1ccc(CCNCc2ccc(-c3ccc(Cl)cc3Cl)o2)cc1OC 22076818 IPFHZQYGZQRCAC-UHFFFAOYSA-N 406.309 5.603 0 40 HKAB CN(C(=O)CSc1ccccc1C(=O)NCCC1=CCCCC1)C1CCCCC1 25183406 ZUFGVWURXJCVLO-UHFFFAOYSA-N 414.615 5.190 0 40 HKAB Cc1cc(NC(=O)c2cc(-c3ccsc3)nc3ccccc23)n(-c2ccccc2)n1 26780151 LFCLAIJDASNCCI-UHFFFAOYSA-N 410.502 5.710 0 40 HKAB COc1ccc(Cn2c(-c3cc4ccccc4o3)n[nH]c2=S)cc1Br 27579373 FNBPVOLXCJFXNU-UHFFFAOYSA-N 416.300 5.173 0 40 HKAB CCCOc1cc(O)c(-c2n[nH]c(C(F)(F)F)c2-c2csc(C)n2)cc1CC 28462424 ZJFNTNWKUONTFK-UHFFFAOYSA-N 411.449 5.584 0 40 HKAB Cc1nc(NC(=O)c2ccc(OC(C)C)cc2)sc1-c1nc(-c2ccccc2)no1 31814274 FUGQGYKJRHBKAZ-UHFFFAOYSA-N 420.494 5.208 0 40 HKAB COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3ccccc3Br)ccc2c1 32716629 TYMYWUPYHHLXKC-OAHLLOKOSA-N 412.327 5.373 0 40 HKAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 33757209 UHHHXKQBLOAAKA-UHFFFAOYSA-N 415.518 5.226 0 40 HKAB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C(O)=C4CC[C@@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1 36379009 KHKDIUPVDIEHAH-XCIWZNOVSA-N 414.586 5.896 0 40 HKAB biogenic Cc1cc(C)c2cc(C(=O)Nc3nc(C)c(-c4nccn4C(F)F)s3)[nH]c2c1 36802763 PPDKTSIHWJOLAL-UHFFFAOYSA-N 401.442 5.061 0 40 HKAB CCOc1c(Br)cc(CNc2cc(C)ccc2C)cc1Br 37215982 SBWNCFFFYWPDEF-UHFFFAOYSA-N 413.153 5.839 0 40 HKAB O=C1S/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1c1ccccc1 39795144 HQJLBNZOAWECFB-WQRHYEAKSA-N 416.285 6.494 0 40 HKAB CCOc1ccccc1OCCCC(=O)N[C@H](c1nc2ccccc2[nH]1)[C@H](C)CC 40146168 OSUCXVTYUHGDBL-HXOBKFHXSA-N 409.530 5.024 0 40 HKAB CN(C)CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C(=O)c3ccc(F)cc3)ccc21 44699405 VANASPLZPFPNRL-SANMLTNESA-N 421.487 5.311 0 40 HKAB in-vitro COc1ccc([C@H](NC(=O)/C=C(/c2ccccc2)C2CCCC2)c2ccccc2)cc1 67194141 KXTJATROTDXBTJ-OAANICDFSA-N 411.545 6.175 0 40 HKAB Cc1cc(F)ccc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 67294579 CLCVMQDYKMNYQX-VYIQYICTSA-N 406.844 6.018 0 40 HKAB Cc1ccc(Sc2oc(-c3ccc(C)cc3)nc2C(=O)N2CCC[C@H](C)C2)cc1 72427758 FAAAVHRKEXKTKC-SFHVURJKSA-N 406.551 5.982 0 40 HKAB COC(=O)[C@H](CC(C)C)c1[nH]c2ccc(Cl)cc2c1CNC(=O)OC(C)(C)C 77024501 VQSCIKOKBVQNIK-OAHLLOKOSA-N 408.926 5.149 0 40 HKAB CCOC(=O)c1nc(-c2ccccc2)oc1CSc1nc(C)nc2ccccc12 84795680 VJBJAQOMYBHIGL-UHFFFAOYSA-N 405.479 5.062 0 40 HKAB O=C(CCn1c(-c2ccccc2)cc2ccccc21)Nc1ccc2c(c1)OCCCO2 95479153 ZBUOJFCJFRNHOC-UHFFFAOYSA-N 412.489 5.498 0 40 HKAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)Nc1c(Cl)cccc1Cl 102169030 PPUOCTGGUFEPEV-TYGXQLQZSA-N 416.732 5.053 0 40 HKAB Cc1ccc(NCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1Cl 106970778 ZWJHWBXWKIMCSA-UHFFFAOYSA-N 406.740 7.146 0 40 HKAB C[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 222908739 KCALWKVWJJRAIP-OAHLLOKOSA-N 418.400 5.439 0 40 HKAB CC[C@@H](NC(=O)[C@H](C)Oc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 223108989 PAYIMTGQFNTHCP-YCRPNKLZSA-N 416.359 5.363 0 40 HKAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1 224237105 MHVXHAAEJQHVRC-NRFANRHFSA-N 419.587 5.201 0 40 HKAB COc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1ccc(C)c(C)c1 224288899 RXUJDMKJSAKAOE-UHFFFAOYSA-N 411.501 6.297 0 40 HKAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)NCCC1=CCCCC1 224883392 FKKGXQFRECEBDN-UHFFFAOYSA-N 403.320 5.043 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1nnc(-c2ccc(C)cc2)s1 225150983 JKINIBDWJHTZQN-KRWDZBQOSA-N 401.919 5.271 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCN3CCCC[C@@H]3C)cc2)CCCCCC1 225711302 PXJHODXPTRCRNN-FQEVSTJZSA-N 402.579 5.008 0 40 HKAB CC[C@@H](NC(=S)Nc1ccc(OC2CCCC2)cc1)c1ccc(OC)c(OC)c1 225720912 QJCCQCUCYUHJBC-HXUWFJFHSA-N 414.571 5.463 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)c2ccccc12 225756556 VNFIHDBDUGCJCF-UHFFFAOYSA-N 401.550 6.859 0 40 HKAB O=C(NC(c1ccccc1)c1ccccc1)c1snnc1-c1ccc(Cl)cc1 225772061 YHIDESOZBFNBLN-UHFFFAOYSA-N 405.910 5.378 0 40 HKAB Cc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cc1Cl 225852884 OMQHHHUDNROEIA-UHFFFAOYSA-N 407.410 6.534 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](c1ccccc1)c1cccc(C)c1 225876449 JLGLUTRGYPSHIG-SVBPBHIXSA-N 413.561 5.937 0 40 HKAB COC(=O)c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 247826848 JLLPDASOZOGZIE-BLMTYFJBSA-N 402.321 6.077 0 40 HKAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](C5(C)OCCO5)CC[C@]4(C)[C@@H]3CC[C@@]12C 253595564 GFXBFUNNPOLAPC-IUTCKAHMSA-N 404.591 5.340 0 40 HKAB O=C(N[C@H]1C[C@@H](c2cccc(C(F)(F)F)c2)O[C@H]2CCCC[C@H]12)C1CCCCC1 257299749 RRKLJHDRRQEHEQ-ANULTFPQSA-N 409.492 5.791 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2ccc(C)c(C)c2)cc1 408696692 BFMGHOFYKBYCRT-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccccc2)nc1-c1ccc(F)cc1 408697989 KSWZXDFHQGCPNO-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2c(C)cccc2C)nc1-c1cccc(Cl)c1 408698916 SVGFGGYUMUVKJS-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCOc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1cccc(C)c1 409197273 AIDJZGQAXFRCCX-UHFFFAOYSA-N 417.574 5.707 0 40 HKAB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CCc4ccccc4)C3=O)o2)cc1 409203475 XHKUEZLNKDMQMR-PXLXIMEGSA-N 417.486 5.428 0 40 HKAB O=C(c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(F)(F)Br 575358754 DBEOIFKAWKEKCM-UHFFFAOYSA-N 402.238 6.327 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)c2cc(C(C)(C)C)nn2Cc2ccc(F)cc2)cc1 2037846278 WIAQZHJBHDOLLA-QGZVFWFLSA-N 423.532 5.258 0 40 HKAB Cc1ccccc1NC(=S)Oc1cccc(C(=O)Nc2cccc3ccccc23)c1 1097673 FOQHJDJTZOHPEO-UHFFFAOYSA-N 412.514 6.176 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(C)c4C)nc3c2)cc1 1413988 OCZIUJKKXYJRCC-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB CCCCCOc1ccc(NC(=O)[C@@H](C)Oc2cccc(Br)c2)cc1 1783202 GQDLBJGFWRSECY-OAHLLOKOSA-N 406.320 5.424 0 40 HKAB CC(C)CCSc1nc(SCCC(C)C)c2c3c(sc2n1)COC(C)(C)C3 2217251 OACROJUTKYILQC-UHFFFAOYSA-N 424.701 6.819 0 40 HKAB CCCCCCC(CC(=O)N1CCc2ccccc21)CC(=O)N1CCc2ccccc21 2307963 TXSSHAQLVRJTTM-UHFFFAOYSA-N 418.581 5.532 0 40 HKAB CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccccc1OC 2444769 DHZZXMNUROSOCF-UHFFFAOYSA-N 404.333 5.028 0 40 HKAB COc1cc(C(=O)Nc2nc3ccc(C)cc3s2)ccc1OCc1c(C)noc1C 2639563 PSDGPVYRRASWPG-UHFFFAOYSA-N 423.494 5.049 0 40 HKAB CCCc1ccc(-c2csc(NC(=O)/C=C/c3ccc(Br)o3)n2)cc1 2653344 JYDSHSKJAWWHEE-PKNBQFBNSA-N 417.328 5.770 0 40 HKAB COc1cc2c(cc1OC)CN(C(=O)Cc1coc3cc(C)c(C(C)C)cc13)CC2 2657008 ZEFLUHBJZDSBFK-UHFFFAOYSA-N 407.510 5.009 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1nnsc1Sc1ccc(Cl)cc1 3105580 HFHGBWHMLVJXMB-UHFFFAOYSA-N 415.849 5.614 0 40 HKAB Fc1ccc(CSc2nnc([C@H]3COc4ccccc4O3)n2-c2ccccc2)cc1 3225996 KWXVDCXNODUZBX-OAQYLSRUSA-N 419.481 5.211 0 40 HKAB Brc1ccc(OCCSc2ncnc3sc4c(c23)CCCC4)cc1 3336709 VXVMAFCPQZQKKY-UHFFFAOYSA-N 421.385 5.504 0 40 HKAB Cc1cc(C)cc(NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)c1 3341890 VZWFEVAARLRIGT-UHFFFAOYSA-N 421.949 7.248 0 40 HKAB COc1cc(CN(C)C(=S)Nc2cccc(Cl)c2C)ccc1OC(F)F 3393935 SBJSPEPKZKQMQP-UHFFFAOYSA-N 400.878 5.087 0 40 HKAB CC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 4280305 RRPWBJYIJOLQJU-QHCPKHFHSA-N 410.477 5.138 0 40 HKAB CCc1ccc(-c2ccc(SCC(=O)Nc3cc(Cl)ccc3OC)nn2)cc1 4356241 DAISIWFZZPUNRY-UHFFFAOYSA-N 413.930 5.099 0 40 HKAB C[C@@H]1CC2=C(NC(=S)N[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 4497995 WTAKRSLFOYPHNB-DHUDADTASA-N 415.389 6.280 0 40 HKAB Cc1cccc(CCNc2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)c1 4980768 FFEQWMCTBALJMA-UHFFFAOYSA-N 400.501 5.377 0 40 HKAB Cc1nn2c(N3C[C@@H](C)C[C@H](C)C3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 5577143 NBYVIVYEPSMFGB-HOTGVXAUSA-N 410.993 6.138 0 40 HKAB CCOc1cccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)c1 5654365 CAMYTERNCXQZFG-UHFFFAOYSA-N 406.869 6.108 0 40 HKAB COc1ccccc1OCC(=O)N(c1nc2ccccc2s1)c1c(C)cccc1C 5699257 DUFJXZROTSOWID-UHFFFAOYSA-N 418.518 5.665 0 40 HKAB CC(C)c1ccc(-c2nc(C(=O)NC3CCCCC3)cc3c2[nH]c2ccccc23)cc1 5825715 XTPXGVKAQISSSE-UHFFFAOYSA-N 411.549 6.569 0 40 HKAB biogenic Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1 6372570 ZOWXZTKUMSHCCQ-UHFFFAOYSA-N 422.550 5.196 0 40 HKAB COc1ccccc1-c1cncnc1-c1ccc(OCc2cc(C)ccc2C)cc1O 6756218 ZOIHCACPLWJELN-UHFFFAOYSA-N 412.489 5.721 0 40 HKAB biogenic COc1cc(CNc2ccccc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 6969267 RUUXZTQCKVTMBU-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB COc1ccccc1[C@@H](C)NC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 8076303 GZJCFAOXOGLNGS-QGZVFWFLSA-N 417.534 5.160 0 40 HKAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc(Br)c1 8448843 HLOWMQRAAUQBDF-UHFFFAOYSA-N 423.335 6.287 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 8475450 ZEUPTDMXMSBSKG-AWEZNQCLSA-N 404.853 5.231 0 40 HKAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CC(c1ccccc1)c1ccccc1 8736097 FCVAWFBIUPRWRU-UHFFFAOYSA-N 423.560 5.387 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)cc(=O)c3c2)cc1OC 9660186 CGDIYGNMLNYZSX-UHFFFAOYSA-N 415.445 5.038 0 40 HKAB biogenic CSCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 12371850 VKHJSCXSYKYORB-JOCHJYFZSA-N 415.562 5.309 0 40 HKAB O=C(/C=C/c1cccc(Br)c1)N1CCC[C@@H]1c1nc2ccccc2s1 12977290 JEWGPEDHUKLINC-SXSDINLZSA-N 413.340 5.436 0 40 HKAB Cc1ccc(-c2nc(CCNC(=O)c3sc4ccccc4c3Cl)cs2)cc1 15832790 LCHQONHRHWVWSS-UHFFFAOYSA-N 412.967 5.959 0 40 HKAB Cc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C)c2)c1 17208917 GWMLIRNLIHFBPA-UHFFFAOYSA-N 418.522 5.099 0 40 HKAB Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3nnc(-c4ccsc4)o3)coc2c1C 19221719 KFZLPTPMQPGQLO-GOSISDBHSA-N 407.495 5.067 0 40 HKAB CCOc1cc(OCC)cc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1 20143389 JCTFWOHZHKMNOL-UHFFFAOYSA-N 415.873 5.142 0 40 HKAB Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c(Cl)c1 20144403 RXBWTHMYUTVKFL-UHFFFAOYSA-N 420.292 5.380 0 40 HKAB COc1ccccc1CN(Cc1cccs1)C(=O)COc1ccc(F)cc1Cl 21181342 RHYBQRICMMKCLI-UHFFFAOYSA-N 419.905 5.157 0 40 HKAB Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc(O)cc(-c2cccnc2)n1 23126393 VTJJSAFGHPKJLB-UHFFFAOYSA-N 410.886 5.153 0 40 HKAB c1ccc(COc2ccccc2[C@H]2Nc3ccccc3-c3nc4ccccc4n32)nc1 25308784 SWGDACKRNSVUEZ-SANMLTNESA-N 404.473 5.650 0 40 HKAB Cc1cc(C)c2c(C)c(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N(C)C)oc2c1 28289687 IGSYPSXCUACSBY-OAQYLSRUSA-N 406.570 5.688 0 40 HKAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)Cc1cccc(Cl)c1Cl 30899038 HOOBNLQENPMSLQ-UHFFFAOYSA-N 423.321 5.481 0 40 HKAB Clc1ccc(CNCc2ccccc2CN2CCN(c3ccccc3)CC2)s1 30913862 IPRHTTSJGYKIAM-UHFFFAOYSA-N 412.002 5.014 0 40 HKAB Clc1ccc([C@@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1Cl 31716565 PKYMTSJXAMCLLY-BJKOFHAPSA-N 406.312 6.917 0 40 HKAB COc1cccc([C@H]2CC(O)=Nc3sc(C(=O)Nc4cccc(C)c4)c(C)c32)c1 32074315 ZOIFZHFBLMELOU-GOSISDBHSA-N 406.507 5.749 0 40 HKAB O=C(COc1ccccc1-c1nc2ccccc2s1)Nc1ccc(F)c(F)c1F 32958140 SHABFGVRSNWSEW-UHFFFAOYSA-N 414.408 5.398 0 40 HKAB CCOc1cccc2c1N(C(=O)c1cnccn1)C(C)(C)c1ssc(=S)c1-2 33661306 LUORKPVYJXRFMU-UHFFFAOYSA-N 415.565 5.290 0 40 HKAB CC(C)(C)c1cc(-c2nn3c(CN4CCCCC4)nnc3s2)cc(C(C)(C)C)c1 40266137 CHRKOCLZRYEKSZ-UHFFFAOYSA-N 411.619 5.434 0 40 HKAB FC(F)(F)c1cccc(-n2c(-c3ccccc3)cnc2SCc2ccccc2)c1 44087706 DKXRCJOAMUHOSG-UHFFFAOYSA-N 410.464 6.850 0 40 HKAB COc1ccc(C(=O)Nc2ccc3c(c2)nc(CN2CCC(C)CC2)n3C(C)C)cc1 65322312 ROLJTOBWGVLKQL-UHFFFAOYSA-N 420.557 5.110 0 40 HKAB Fc1ccc(OCCc2cc([C@@H]3CCCN3Cc3ccc4[nH]ccc4c3)n[nH]2)cc1F 72378360 QVKIPLSSFSVRPB-DEOSSOPVSA-N 422.479 5.128 0 40 HKAB Cc1nc(N[C@@H](c2nnc3n2CCC3)C(C)C)c2cc(-c3ccccc3)sc2n1 79063653 KAYSAWAQWVOZOA-LJQANCHMSA-N 404.543 5.014 0 40 HKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21 223031957 UEROSWIWHSFTFY-UXHICEINSA-N 401.934 5.533 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)cc2)cc1 223158057 JCWWTFQURQDSJM-LJQANCHMSA-N 401.575 6.267 0 40 HKAB COc1cc(C)c([C@@H](C)NC(=O)COc2ccc(Cl)cc2Cl)cc1C(C)C 223261885 REEIGJHSKYUURQ-CQSZACIVSA-N 410.341 5.690 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1 224368656 BQBXTLAEOLVIQO-QGZVFWFLSA-N 409.913 5.809 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccc(Cl)c(C)c1 224541598 JNEAAQHWMPSXES-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3Cl)o2)cc1 224908285 OEEHDQCQZJMAIX-UHFFFAOYSA-N 404.853 5.923 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc(Cl)cc1F)CC(C)(C)O2 224932923 SLKHKKKPTYXAOL-GOSISDBHSA-N 423.937 5.140 0 40 HKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(Br)c(Cl)c1 224933477 JODITIQTQWBBFA-LBPRGKRZSA-N 408.723 5.387 0 40 HKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225167414 FJTBKXBTVIIDNZ-QGZVFWFLSA-N 404.919 5.093 0 40 HKAB CCc1ccc(CC)c(CNC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 225480410 PSKDPRGAPCBHBJ-UHFFFAOYSA-N 407.941 5.974 0 40 HKAB CCc1cc(Br)cc(CC)c1NC(=O)c1ccccc1Br 226093461 IOADUXJBVSIZSQ-UHFFFAOYSA-N 411.137 5.589 0 40 HKAB CC(C)CCC[C@H](C(=O)O)C1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2O)C1 226279633 LDPPQIQFKNQQLH-RQYUWBKXSA-N 416.646 6.453 0 40 HKAB CCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(F)(F)F 408567227 KWZNVJMWKLZPIU-UHFFFAOYSA-N 416.237 5.899 0 40 HKAB COc1cccc(C(=S)N2CCCCC2)c1OCc1c(Cl)cccc1Cl 408572674 HPGVDHANRADAOO-UHFFFAOYSA-N 410.366 5.742 0 40 HKAB COc1ccc(Cl)cc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)O 408633298 JTLJHWOMKVKLCQ-DHDCSXOGSA-N 423.277 5.270 0 40 HKAB Cc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2C)n1 408699229 SIBOMAIFQUOPQM-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB COc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1cccc(Cl)c1 409111170 BBIXAYVOFLRQJH-UHFFFAOYSA-N 416.348 6.810 0 40 HKAB Cc1cccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)c1 409111703 DOFWOTBDEKUIMO-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB CCCc1sc2nc(SCc3ccccc3)n(-c3ccccc3)c(=O)c2c1C 409121843 YDLPNZRQSJEQPI-UHFFFAOYSA-N 406.576 6.000 0 40 HKAB COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cccc(C)c4C)c3n2)cc1 649530 CQICZGOYDPKRGF-UHFFFAOYSA-N 422.435 5.212 0 40 HKAB CCOc1ccc(NC(=O)COc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 952102 GYQHPPDAXGHZJY-UHFFFAOYSA-N 424.884 5.009 0 40 HKAB CCCCOc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)cc1 2062605 NZTGPXINOIYXPF-UHFFFAOYSA-N 401.466 5.629 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccnc3Cl)c2C(=O)OC)C1 2085650 INPFVBPCXMBELD-LBPRGKRZSA-N 420.962 5.377 0 40 HKAB CCOc1ccc(NC(=O)[C@H]2CC2(c2ccc(CC)cc2)c2ccc(CC)cc2)cc1 2308411 JKBGTPJESCYILY-AREMUKBSSA-N 413.561 6.155 0 40 HKAB CC[C@@H](C)COC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 2374240 GNHWYQXKCNAHMW-MRXNPFEDSA-N 406.530 5.260 0 40 HKAB COc1ccccc1NC(=O)C[C@H](c1ccc(OC(C)C)cc1)c1ccccc1OC 2375166 GRUKPOFKAWBXLB-JOCHJYFZSA-N 419.521 5.652 0 40 HKAB Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2cccs2)cc1 2707226 ZZRPWLZSZWLDMI-DHIUTWEWSA-N 412.518 5.169 0 40 HKAB Cc1cccc(C(=O)NC[C@]2(C)C[C@H](NC(=O)c3cccc(C)c3)CC(C)(C)C2)c1 2749060 QQTIKOPEHWBRTM-ATIYNZHBSA-N 406.570 5.048 0 40 HKAB COc1ccccc1CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)cc1 2974780 QDNXWIYKQPNYAB-UHFFFAOYSA-N 420.516 6.017 0 40 HKAB COc1ccc(-c2csc(NC(=O)Cc3ccc(Cl)cc3Cl)n2)cc1OC 3281608 DWSJGUQLPJRMMR-UHFFFAOYSA-N 423.321 5.315 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 3292566 UWGLQBONUBSTBJ-UHFFFAOYSA-N 405.567 5.251 0 40 HKAB O=C(OCCOc1ccc(Br)cc1)C(c1ccccc1)c1ccccc1 3294800 UFGRZFLSJIWTRM-UHFFFAOYSA-N 411.295 5.203 0 40 HKAB C[C@H](Oc1cccc2c1OC(C)(C)C2)C(=O)Nc1ccc(Oc2ccccc2)cc1 3304833 VOORIGBSSXKGPD-KRWDZBQOSA-N 403.478 5.598 0 40 HKAB C[C@H](Sc1nnc2c(n1)[C@]1(C)CC[C@H]2C1(C)C)C(=O)Nc1cccc2ccccc12 4130143 SSWREBXQUUEKHH-SIJXKNKUSA-N 418.566 5.319 0 40 HKAB COc1cccc2c1O[C@@H](c1ccc(F)cc1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 4281959 NOMTWUMCHPXIDQ-OFNKIYASSA-N 408.860 5.730 0 40 HKAB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCC(Cc2ccccc2)CC1 4611905 RLDCBYMRVHAKAS-UHFFFAOYSA-N 406.529 5.997 0 40 HKAB CC[C@@H](C(=O)Nc1ccc(C)c(NC(=O)[C@H](CC)c2ccccc2)c1)c1ccccc1 4666598 QRIUWSHTVRUFSA-DNQXCXABSA-N 414.549 6.260 0 40 HKAB CCc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccncc2)cc1 4675427 UFPCCORIYKNOHL-UHFFFAOYSA-N 402.523 5.063 0 40 HKAB CCCC[C@@H](CC)CNC(=O)c1cc2cc(Oc3ccc4c(c3)OCO4)ccc2[nH]1 4696031 PIZVFTMGJKOVKY-MRXNPFEDSA-N 408.498 5.635 0 40 HKAB O=C1c2[nH]c3ccccc3c2[C@H](c2ccc(F)cc2F)OCCN1Cc1ccccc1 4726106 FVOMVPKNBCHBIQ-DEOSSOPVSA-N 418.443 5.208 0 40 HKAB N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)C(=O)O 5049532 BCBSYXGYLMMICN-DEOSSOPVSA-N 413.542 5.277 0 40 HKAB Cc1c(OCC(=O)Nc2cccc3ccccc23)ccc2c3c(c(=O)oc12)CCCC3 5235536 DHPBVTHFQWBQQJ-UHFFFAOYSA-N 413.473 5.151 0 40 HKAB CCCCCCn1c([C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)nc2ccccc21 5235753 YEWMLNWGPCZCIC-IBGZPJMESA-N 405.542 5.536 0 40 HKAB O[C@H](CC1c2ccccc2-c2ccccc21)CN(Cc1ccccc1)Cc1ccccc1 5554217 SDTFOLHRRAPYRQ-RUZDIDTESA-N 419.568 6.252 0 40 HKAB CC(=O)Nc1ccc(C(=O)COc2ccc(-c3nc4ccccc4s3)cc2)cc1 5937936 GJDQAWHUYZDPOS-UHFFFAOYSA-N 402.475 5.183 0 40 HKAB Cc1ccc(NC(=O)Cn2cc(C(=O)C3CCCCC3)c3ccccc32)cc1Cl 6390967 JVYVRKZVJCBKMQ-UHFFFAOYSA-N 408.929 6.005 0 40 HKAB COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccc(C)cc1)oc1ccccc12 6431317 LYKSOLSEADSODX-HNNXBMFYSA-N 403.434 5.087 0 40 HKAB O=C1/C(=C/Nc2ccc(C(F)(F)F)cc2)c2ccccc2C(=O)N1c1ccccc1 6454567 IJPZQARFPPRLEN-XSFVSMFZSA-N 408.379 5.345 0 40 HKAB COc1cccc(-c2cc(C(F)(F)F)n3nc(-c4ccc(Cl)cc4)cc3n2)c1 6721497 XXIUIZOTLWXVSF-UHFFFAOYSA-N 403.791 5.744 0 40 HKAB Cc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1Cl 6824889 OBXWCHGFBITCOY-HXUWFJFHSA-N 410.304 6.553 0 40 HKAB C[C@H]1CCN(C(=O)COC(=O)c2c(Cl)cccc2Cl)c2ccccc2S1 7108707 YPEVBACAMMBAMM-LBPRGKRZSA-N 410.322 5.068 0 40 HKAB CCCNCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1 7262305 IHLRKGQQPWMMGF-UHFFFAOYSA-N 412.755 5.580 0 40 HKAB CCc1ccc([C@@H](N[C@H](C)c2nc3ccccc3c(=O)[nH]2)c2cccc(F)c2)cc1 7285963 TVDVSSMCJNVHMF-WAIKUNEKSA-N 401.485 5.065 0 40 HKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)c1 7543759 ZCCINXBPDATDKV-LJQANCHMSA-N 415.924 5.567 0 40 HKAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1CCc1ccccc1 7780772 PKUQFNGSBHSCNG-UHFFFAOYSA-N 417.896 5.105 0 40 HKAB Cc1ccc(C)n1N(CC(=O)c1ccccc1)C(=O)c1ccc(Cl)cc1Cl 8475590 AIZMKQSJRWBBAM-UHFFFAOYSA-N 401.293 5.073 0 40 HKAB O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1c1ccc(Cl)cc1 8715647 HAUOPYAKJVGAHH-JOCHJYFZSA-N 403.844 5.619 0 40 HKAB CCOc1c(Br)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 8981095 UNDBBWJEGONMGP-UHFFFAOYSA-N 418.209 5.128 0 40 HKAB COCCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc2ccccc21 9073684 FMUWCBWFBUQDRH-GFCCVEGCSA-N 424.353 5.109 0 40 HKAB Cc1ccc([C@@H](O)c2cc3c(cc2NC(=O)Nc2cccc(Cl)c2)OCCO3)cc1 9584596 VIWUMUWIHAULSZ-JOCHJYFZSA-N 424.884 5.145 0 40 HKAB Cc1cc(SCC(=O)OCc2nc3ccccc3s2)c(C)cc1Br 12617168 QSYJREHNXLMUGQ-UHFFFAOYSA-N 422.369 5.511 0 40 HKAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)N[C@H](c1ccccc1)C1CC1 12628599 CFJRSLOCSHHXEC-JOCHJYFZSA-N 405.498 5.012 0 40 HKAB O=C(c1cc2ccccc2o1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 12645201 XRSSPISBLDCVQB-UHFFFAOYSA-N 421.884 5.721 0 40 HKAB COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2c(-c3ccccc3)c(C)nn12 13645203 NXIHWUGFTWYPCS-UHFFFAOYSA-N 412.276 5.465 0 40 HKAB Cc1ccc2cc(CN(C(=O)c3ccccc3Cl)c3ccccc3C)c(=O)[nH]c2c1 13660235 VBSJUKZJQZFMGY-UHFFFAOYSA-N 416.908 5.645 0 40 HKAB O=C(c1ccc(Cl)cc1)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 13720874 UFZFXSALWMOSTH-QHCPKHFHSA-N 412.880 5.275 0 40 HKAB O=C(Nc1cc2c(cc1Br)OCCO2)c1sc2ccccc2c1Cl 16009038 VEZSBGGKYLIOQI-UHFFFAOYSA-N 424.703 5.341 0 40 HKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1nc2ccc(Cl)cc2s1 16226474 RACSARTYNOABTG-FARCUNLSSA-N 423.719 5.373 0 40 HKAB COc1ccccc1[C@@H](CNC(=S)Nc1ccc(Oc2ccccc2)cc1)N(C)C 16241265 DIPDTUCKNBJULO-JOCHJYFZSA-N 421.566 5.077 0 40 HKAB Cc1ccc(C(=O)C[C@H](Sc2cccc(Cl)c2Cl)c2ccccc2)cc1 16291845 NVALJMKXIKSDFO-NRFANRHFSA-N 401.358 7.408 0 40 HKAB FC(F)(F)c1ccc2c(c1)ncc1c(-c3ccccc3)nn(-c3ccc(Cl)cc3)c12 20183438 QISBDSPYQWRKMX-UHFFFAOYSA-N 423.825 6.913 0 40 HKAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 20493536 ANUBJBUWRDHWNJ-LJQANCHMSA-N 412.382 5.509 0 40 HKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(O)cc2)cc1 20970062 DTIPOWHKJOEDNK-XMMPIXPASA-N 424.504 5.232 0 40 HKAB COc1ccc(-c2nc(CN3CCc4sccc4[C@@H]3C3CC3)cs2)cc1OC 23936534 GWVAYIUKRGMAJM-NRFANRHFSA-N 412.580 5.398 0 40 HKAB CCOc1ccccc1Nc1nnc(SCc2noc(-c3cccs3)n2)s1 30024274 ICZYUMKXUNQPKP-UHFFFAOYSA-N 417.541 5.084 0 40 HKAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccc2ccccc2c1 31404716 GZXRSRIBLDWQIU-MRXNPFEDSA-N 404.897 5.958 0 40 HKAB COc1ccc(OC)c([C@H]2CC(O)=Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)c1 36360869 SWGVQUIYAZVXGM-MRXNPFEDSA-N 417.387 5.032 0 40 HKAB Cc1cccc(N2CCN(C(=O)Nc3ccccc3CN(C)C3CCCCC3)CC2)c1 40103363 ZSTMHAMJEYHPJK-UHFFFAOYSA-N 420.601 5.114 0 40 HKAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N1CCC[C@H]1c1ccncc1 42796648 LOKDGLIAIMWGPX-SFHVURJKSA-N 413.930 5.056 0 40 HKAB NC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(Cl)c1 44087385 IZZCIERSPYSTLG-UHFFFAOYSA-N 412.729 5.077 0 40 HKAB COc1ccc(-c2cnc(SCC(C)C)n2-c2ccc(OC(F)(F)F)cc2)cc1 44087949 QAPIEFFVOCTXMN-UHFFFAOYSA-N 422.472 6.195 0 40 HKAB CC[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(C)c(C)c1 44856565 VTHZOTYILVZLNB-MHZLTWQESA-N 412.577 5.743 0 40 HKAB Cc1ccc2c(Nc3ccc(C)c(Cl)c3)c(C(=O)N3CCCCCC3)cnc2n1 49004708 FXTNFNSRGSPNIS-UHFFFAOYSA-N 408.933 5.660 0 40 HKAB OC1(c2ccc3c(c2)c2c4n3CCN(Cc3ccccc3)[C@@H]4CCC2)CCCCC1 55212208 UZLSNKZNMAKTBE-RUZDIDTESA-N 400.566 5.686 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@H](c1ccc(Cl)cc1)C(C)C 57475480 OVMAWJAEOOZATA-QFIPXVFZSA-N 410.949 5.068 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)c3cnn(C(C)C)c3C(F)(F)F)cc2)c1 60337059 KAXOLHAJRXBRGS-UHFFFAOYSA-N 403.404 5.836 0 40 HKAB O=C(CSCc1c(Cl)cccc1Cl)NCC1(c2ccccc2)CCOCC1 60824770 NWMADXGKKJFLPC-UHFFFAOYSA-N 424.393 5.091 0 40 HKAB COc1ccccc1Cn1c(SCc2ccc(C)c(C)c2)nc2ccccc2c1=O 67258423 OVKHVCMBXLZWHI-UHFFFAOYSA-N 416.546 5.363 0 40 HKAB O=c1c2cc(-c3cccc4ccccc34)nn2ccn1Cc1cccc(C(F)(F)F)c1 67260762 JEBMKSUNTCBUBK-UHFFFAOYSA-N 419.406 5.383 0 40 HKAB CCC(=O)N1N=C(c2ccccc2C)C[C@H]1c1cc2cc(OC)ccc2nc1Cl 71924219 AXFGQJLXCYQMEA-NRFANRHFSA-N 407.901 5.293 0 40 HKAB CC[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1C1CCN(C(=O)[C@H](C)CC)CC1 72307950 CTTXJRODFRSDDH-LSDHHAIUSA-N 412.496 5.442 0 40 HKAB CCOc1ccc(-c2nn3c(-c4oc5ccccc5c4C)nnc3s2)cc1OCC 96194207 PKQJEJYWXCSABX-UHFFFAOYSA-N 420.494 5.372 0 40 HKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@H]1c1ccc(C)cc1 103870942 GFEQZSLMROSYSP-SKCUWOTOSA-N 422.528 6.565 0 40 HKAB O=C1/C(=C\NCc2ccccc2)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 104740381 BKIZBMMYDHIXBY-CYVLTUHYSA-N 422.406 5.023 0 40 HKAB Cc1ccc(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 108023267 LJRBQWDMDWVEKU-UHFFFAOYSA-N 420.361 6.006 0 40 HKAB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccc(Cl)cc1Cl 108149148 FXMIZMKCGYUWJT-NTUHNPAUSA-N 408.693 6.206 0 40 HKAB COc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cc(OC)c1 214860182 UBLRTWDGDLEFRP-CIAFOILYSA-N 405.475 5.094 0 40 HKAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc3ccccc3c2)S1 222628646 MNZMNIMDYLRJHC-VWMXVWASSA-N 410.546 5.615 0 40 HKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1C1CCCCC1 222916192 RLSJZFRJIZYWLH-GOTSBHOMSA-N 410.631 5.634 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccccc1Cl 224136582 FXNGWUOYLUJEHA-UHFFFAOYSA-N 409.869 5.383 0 40 HKAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 224184471 CRWAQKMPGREULQ-UHFFFAOYSA-N 417.549 5.844 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)c1 224252554 KCBWTXPCMMHDSY-DNQXCXABSA-N 410.546 5.358 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1C 224379985 GXMFOWZPMJIHOE-GOSISDBHSA-N 423.940 6.117 0 40 HKAB CCCOCc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1OC 224414085 IFSJQXKZUIDEFG-UHFFFAOYSA-N 402.705 5.834 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccccc1OC 224575668 MPPLJJVSFNUVQK-UHFFFAOYSA-N 419.521 6.049 0 40 HKAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1CSc1ccc(C)cc1 224668489 UDDXXBIDZCRARC-UHFFFAOYSA-N 411.611 6.529 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c(C)c1 225056196 LUIMTMISYCTEBZ-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 225717933 ZNAORSWKQNEDJK-RUZDIDTESA-N 416.565 5.104 0 40 HKAB Cc1cc(N2Cc3ccccc3C2=O)cc2nc(-c3ccc(Cl)c(Cl)c3)oc12 226286494 WKZGDQCGFGEGDE-UHFFFAOYSA-N 409.272 6.270 0 40 HKAB O=C(c1ccccc1-c1ccccc1)N1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 257204954 AXANVHFFNAOOIJ-QFIPXVFZSA-N 422.528 5.233 0 40 HKAB CCOc1cc(C)c([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc1OCC 260769228 KOJLVYBJRGFKBO-KNXBSLHKSA-N 411.571 5.167 0 40 HKAB S=C(NCCc1ccccc1)c1ccccc1OCc1ccc(Cl)cc1Cl 408574249 LGMLAIFLGVLSIF-UHFFFAOYSA-N 416.373 6.080 0 40 HKAB CCCc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccc(F)cc1 408832246 RSPHIXCGUJSCPI-UHFFFAOYSA-N 416.521 6.821 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@@H]1[C@@H](c1ccc(Br)cc1)N2 409000394 SVLXFYGPUFHENC-ILWGZMRPSA-N 420.306 5.618 0 40 HKAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1 409001742 JZEIKROKUOGSIT-CYFREDJKSA-N 416.521 5.633 0 40 HKAB Fc1ccc(CSc2nnc(CCCOc3ccc(Cl)cc3Cl)o2)cc1 409011543 GEUPHSYZVJVAIT-UHFFFAOYSA-N 413.301 5.819 0 40 HKAB Cc1cccc(OCc2nn(CC(=O)Nc3cc(Cl)cc(Cl)c3)c(=S)o2)c1 409171191 YOZBIFFATYKXOJ-UHFFFAOYSA-N 424.309 5.039 0 40 HKAB Cc1cccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(Cl)cc3)n2C)c1 409198292 BRXAEJFVRYLJJG-LCUIJRPUSA-N 418.949 6.124 0 40 HKAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1C 409246590 JGEICNFRPIELKK-FYJGNVAPSA-N 422.937 5.984 0 40 HKAB CCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(COc2cc(C)ccc2C)n1 585264942 BYPGTIZINGZZGI-UHFFFAOYSA-N 411.885 5.695 0 40 HKAB CC[C@H](COC(=O)Nc1ccc(Cl)cc1)N1C(=O)CS[C@@H]1c1ccc(C)cc1 837056 WZMZQYOLPGWVBA-UYAOXDASSA-N 418.946 5.250 0 40 HKAB COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1OC 849031 CXUQSOSDAPWWKQ-UHFFFAOYSA-N 402.450 5.381 0 40 HKAB O=C(CSc1nnc(-c2ccccc2Cl)o1)N(c1ccccc1)c1ccccc1 850109 AQLSDXMLGKOUQN-UHFFFAOYSA-N 421.909 5.847 0 40 HKAB Cc1ccc(NC(=O)COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)cc1 954881 FDYVVRKGKSASIR-UHFFFAOYSA-N 419.864 5.439 0 40 HKAB Cc1ccc(C)c(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 1307643 PSQNGTRTKOCALQ-UHFFFAOYSA-N 404.897 5.413 0 40 HKAB Cc1sc2nc(C(C)C)nc(SCC(=O)N3CCCc4ccccc43)c2c1C 1340395 AAFPQKBJUWHIRN-UHFFFAOYSA-N 411.596 5.503 0 40 HKAB Cc1ccccc1OC[C@@H](COC(=O)Nc1ccccc1)OC(=O)Nc1ccccc1 1624575 YHAXHQQDFSXBAM-NRFANRHFSA-N 420.465 5.240 0 40 HKAB CCCCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 2108922 AMBNKPHHGMYOMP-OFOQCOESSA-N 404.554 5.283 0 40 HKAB biogenic CC1=C[C@H](C)C(COC(=O)Nc2ccccc2)(COC(=O)Nc2ccccc2)[C@H](C)C1 2288845 MFOHDHYQLDNSFR-VQTJNVASSA-N 422.525 6.092 0 40 HKAB COc1ccccc1-n1c(SC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2294062 HZKDLPYWHOSUFD-UHFFFAOYSA-N 418.562 5.388 0 40 HKAB biogenic Cc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)c(C)c1 2593084 NULSPLJHGZVIAF-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB O=C(c1ccccc1)c1oc2ccccc2c1CSc1cccc(C(F)(F)F)c1 3133632 SWGMTFSATQTFSY-UHFFFAOYSA-N 412.432 6.975 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)CSc4ccccc4Cl)cc3)sc2c1 3217739 RIHDHTONJXDYNO-UHFFFAOYSA-N 424.978 6.656 0 40 HKAB Cc1ccc(-c2c(C(=O)O)sc(Nc3ccc(Cl)cc3)c2-[n+]2ccccc2)cc1 3220850 CQGVGOKVWVODPD-UHFFFAOYSA-O 421.929 6.095 0 40 HKAB Cc1ccc(-c2cc3nc(SCC(C)C)n(Cc4ccccc4)c(=O)c3s2)cc1 3284681 VAIXFBVOEOVDOG-UHFFFAOYSA-N 420.603 6.230 0 40 HKAB COc1cccc(-n2c(SCc3ccccc3)nc3c([nH]c4ccccc43)c2=O)c1 4106607 BMLVZUFTFATVAK-UHFFFAOYSA-N 413.502 5.168 0 40 HKAB O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1sc2ccccc2c1Cl 4107415 IKGYKFBSOROUMX-UHFFFAOYSA-N 409.898 5.736 0 40 HKAB Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccncc1)O2 4176644 SXBBPJLDOJWJHX-TZIWHRDSSA-N 406.283 5.086 0 40 HKAB Cc1ccc(C(=O)c2c(NC(=O)c3ccccc3Cl)sc3c2CCCC3)cc1 4349612 UJEPYGKLPSOXCI-UHFFFAOYSA-N 409.938 6.072 0 40 HKAB Fc1ccc(/N=c2\scc(-c3ccc4ccccc4c3)n2Cc2ccccc2)cc1 4524425 FGPSORCVFUWKFJ-SGEDCAFJSA-N 410.517 6.790 0 40 HKAB Cc1ccc(-c2csc3ncnc(SCc4c(F)cccc4Cl)c23)cc1 5047170 LJJWRDMWYRXPHI-UHFFFAOYSA-N 400.931 6.752 0 40 HKAB CCCCCN(CCCCC)C[C@@H](O)c1ccc(I)cc1 5973207 BKUWTUNGQXZEAV-GOSISDBHSA-N 403.348 5.007 0 40 HKAB Oc1cc(OCc2cccc3ccccc23)ccc1-c1ncncc1-c1ccccc1 6670349 AGERMCJOQCEALD-UHFFFAOYSA-N 404.469 6.248 0 40 HKAB biogenic Cc1c(C=O)c(-c2nc3ccccc3s2)c(C)n1-c1ccc(Br)cc1 6959319 DKOXLAJJQHBMMN-UHFFFAOYSA-N 411.324 5.946 0 40 HKAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 7141167 QKCXBWJFIAIRSX-YLJYHZDGSA-N 406.551 5.796 0 40 HKAB S=c1n(CN2CCC[C@@H]2c2cccs2)nc(Cc2cccs2)n1C1CC1 8114226 BBXAJTLIIKDHGJ-MRXNPFEDSA-N 402.614 5.257 0 40 HKAB C[C@H](NC(=O)CSc1ncnc2sccc12)c1ccc(-c2ccccc2)cc1 8230853 VMPYQHQDJOHTSV-HNNXBMFYSA-N 405.548 5.328 0 40 HKAB Cc1cc(C)cc(C(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)c1 8335520 ZYNNEKLQJRGPNQ-UHFFFAOYSA-N 406.489 5.751 0 40 HKAB Cc1ccc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)c(C)c1 8369723 GHKUXZIRYDVSJN-UHFFFAOYSA-N 405.277 5.992 0 40 HKAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)Cc2cccc3ccccc23)c1 8452502 TVVIQNKYVBTBSU-UHFFFAOYSA-N 424.500 5.672 0 40 HKAB COc1cc(CNCc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 8471304 NBVNDVLCFHDXEZ-UHFFFAOYSA-N 402.321 5.871 0 40 HKAB Cc1ccc(C(=O)c2sc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2N)cc1 8742259 AYQAWHBIADMDLB-UHFFFAOYSA-N 420.537 6.752 0 40 HKAB CC(C)OC(=O)c1ccc2nc(NC(=O)CC34CC5CC(CC(C5)C3)C4)sc2c1 8904262 BUSCBXHUJFFSIH-UHFFFAOYSA-N 412.555 5.407 0 40 HKAB Cc1c(C)n(Cc2ccncc2)c2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c12 9341159 CHPYVJCYDMVLBM-UHFFFAOYSA-N 423.307 5.113 0 40 HKAB Cc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(C)cc2C)cc1 9374555 QBHNSGNYJGERJP-UHFFFAOYSA-N 410.517 5.609 0 40 HKAB CCCn1ccnc1SCc1csc(N(C(C)=O)c2c(C)cc(C)cc2C)n1 10270586 JGTJKGPRUUTKLV-UHFFFAOYSA-N 414.600 5.652 0 40 HKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCc1nnc(-c2ccccc2)o1 10444811 LUXONCACUNDRGZ-UHFFFAOYSA-N 421.456 5.617 0 40 HKAB O=C(/C=C\c1ccccc1)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 12375792 VLTZRKJEGGIZHK-XFXZXTDPSA-N 409.272 6.454 0 40 HKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1cccnc1 12651316 TUGHWFJPCJGVSH-GQCTYLIASA-N 418.305 5.175 0 40 HKAB CCn1c(-c2ccc(Cl)cc2Cl)nn(CN(C)Cc2ccccc2)c1=S 13070702 UGDQDSFEEQGGJF-UHFFFAOYSA-N 407.370 5.497 0 40 HKAB Cc1cccc(Nc2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)s2)c1 13137812 CDTDYTIROYTOCX-KLZNWCGWSA-N 404.605 5.012 0 40 HKAB COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)c1 13787024 TYNYDXOZPYBZJE-UPVQGACJSA-N 404.897 5.899 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3c(C)cccc3C)o2)cc1Cl 13946141 XRKQUAJGLDALQC-ZRDIBKRKSA-N 424.953 6.052 0 40 HKAB CC[C@H](C)N(C(=O)CSc1nnc(-c2ccc(OC)cc2)n1C(C)C)[C@@H](C)CC 14249600 HCMQVTACAHDOSJ-IRXDYDNUSA-N 418.607 5.052 0 40 HKAB CCOCc1ccc(C(=O)N2CCC[C@@H]2c2cc(-c3ccccc3)cc(C)n2)cc1 19690565 DGECKFDOYHAMLF-RUZDIDTESA-N 400.522 5.571 0 40 HKAB CCCCCOc1ccc(CNc2ccccc2OCCOc2ccccc2)cc1 19738445 OSJBALRKSASOPX-UHFFFAOYSA-N 405.538 6.326 0 40 HKAB Brc1ccc(-c2nc3nc4ccccc4nc3n2C2CCCCC2)cc1 19892008 AURGIJXUUQUGMZ-UHFFFAOYSA-N 407.315 5.914 0 40 HKAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 20140373 SKBPWCDSSXXDGS-UHFFFAOYSA-N 424.211 5.352 0 40 HKAB COc1ccccc1[C@@H](C)NC(=O)CCc1ncc(-c2ccc(CC(C)C)cc2)o1 21894982 BXPGPBMZIINELX-GOSISDBHSA-N 406.526 5.359 0 40 HKAB CCOc1ccccc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 22503217 DAUPBHAKYSYHKC-UHFFFAOYSA-N 415.493 5.322 0 40 HKAB COc1cccc(-c2nc(C(=O)Oc3cccc(Cl)c3Cl)cs2)c1OC 22990530 CHBFMTOGBAZCNI-UHFFFAOYSA-N 410.278 5.353 0 40 HKAB CN(Cc1ccc(F)cc1F)C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 24929431 LCQJWYIYFVUTNQ-UHFFFAOYSA-N 413.449 5.176 0 40 HKAB CCCOc1ccc(C(=O)N(C)[C@@H](c2ccc(C)cc2)c2c[nH]c3ccccc23)cc1 27795420 NKHQFBXHUWNJST-SANMLTNESA-N 412.533 6.127 0 40 HKAB COc1cccc(-c2noc(-c3ccc(CSCc4ccc(C)cc4)o3)n2)c1OC 33262366 FWNUMAVCTKZAGS-UHFFFAOYSA-N 422.506 5.756 0 40 HKAB O=C(O)C[C@H](O)/C=C/CCSC(c1ccccc1)(c1ccccc1)c1ccccc1 34636287 BGUJCVRJDCZLQS-XMZCUOJSSA-N 418.558 5.494 0 40 HKAB O=C(c1ccccc1)[C@@H](Sc1ccccc1[N+](=O)[O-])c1nc2ccccc2s1 35426792 WKYHYKCLVUVGAB-HXUWFJFHSA-N 406.488 5.921 0 40 HKAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cc2occc2n1Cc1ccccc1Cl 36358399 KQLJZODDPHLEQO-UHFFFAOYSA-N 410.905 5.583 0 40 HKAB Cc1cccc(C)c1OC(=O)CSc1nc2ccccc2n1Cc1ccc(F)cc1 41076859 OCWMAQHYEWTGTL-UHFFFAOYSA-N 420.509 5.538 0 40 HKAB O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 44917191 KEPYRPTUWKJQGW-UHFFFAOYSA-N 412.961 5.512 0 40 HKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72215112 HEWKWNZSIJEDGZ-WMZOPIPTSA-N 419.566 5.694 0 40 HKAB COCc1nc(N[C@H](c2ncc(C)s2)C2CC2)c2c(-c3ccccc3)csc2n1 72301679 YTKZPXMQXWKOOO-IBGZPJMESA-N 422.579 5.833 0 40 HKAB C(=C(c1ccccc1)c1ccccc1)c1ccc2c(c1)[C@H]1CCC[C@@H]1N2c1ccccc1 91296955 KHSAHMCGJDNDEG-OFSOJUDTSA-N 413.564 8.063 0 40 HKAB OC1=C2C(=Nc3ncnn3[C@@H]2c2cc(F)cc(F)c2)C[C@H](c2ccc(Cl)cc2)C1 102659473 KBYWHJVQVSLUBV-FKIZINRSSA-N 412.827 5.275 0 40 HKAB Cc1cccc(C)c1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 216349561 JTWPNHLUUVMDNM-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCc1ccc(OCC(=O)N[C@@H](CC)c2ccc(C)c(C)c2)c(Br)c1 218867851 KKDTYAPUJLRCSN-IBGZPJMESA-N 404.348 5.275 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 218930013 XGDLSDBPODNMIA-UHFFFAOYSA-N 409.913 6.447 0 40 HKAB CC[C@@H](NC(=O)COc1ccc(Br)c(C)c1)c1ccc2c(c1)CCCC2 223081349 LJZBBPKOBSTAQX-OAQYLSRUSA-N 416.359 5.283 0 40 HKAB CCCSc1nnc(NC(=O)c2ccccc2SCc2ccccc2)s1 223457300 KBBHBGCZYLOCHG-UHFFFAOYSA-N 401.582 5.585 0 40 HKAB CC(C)(C)c1ccc(OCCNC(=O)CSCc2ccc(Cl)cc2F)cc1 225183028 ZXSRZDDQIFPTOM-UHFFFAOYSA-N 409.954 5.205 0 40 HKAB CC(C)Oc1ccc(NC(=S)NCCCSCc2ccccc2Cl)cc1 225607784 KLHYCVANNQFWNF-UHFFFAOYSA-N 409.020 5.737 0 40 HKAB COc1cccc(C(=S)NCc2ccco2)c1OCc1c(Cl)cccc1Cl 408573143 INBONWAZTCTUIG-UHFFFAOYSA-N 422.333 5.639 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(C)ccc3C)n2)c(C)c1 408693694 BXWOUVOYMIJKOG-UHFFFAOYSA-N 414.484 5.559 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(F)cc2)c1 408696535 ALWGTPXNOJGSFB-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB CC1CCN(C(=S)Oc2cccc(C(=O)Nc3ccc4ccccc4c3)c2)CC1 408722153 PNGBJEJHSBGOKD-UHFFFAOYSA-N 404.535 5.488 0 40 HKAB COc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccccc1 408737452 RBZHFNREAFYFFY-MOSHPQCFSA-N 419.864 5.272 0 40 HKAB CCCc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1cc(OC)cc(OC)c1 408829012 OIOHCAYBYZXNIU-UHFFFAOYSA-N 416.930 5.686 0 40 HKAB Cc1ccc(Sc2oc(/C=C3/SC(=O)N(C)C3=O)cc2Br)cc1 408910388 JYNUDQXHVINUSA-MDWZMJQESA-N 410.314 5.168 0 40 HKAB CCCOc1c(Br)cc(CNc2cc(Cl)ccc2C)cc1OCC 409113920 JMQRJYJUYCKDCZ-UHFFFAOYSA-N 412.755 6.211 0 40 HKAB COCCN1C(=O)S/C(=C/c2ccccc2OCc2cccc3ccccc23)C1=O 409132109 OUTIBUVNEMPKRC-PXLXIMEGSA-N 419.502 5.102 0 40 HKAB Fc1ccc(COc2c(Cl)cc(CNc3ccc(Cl)cc3)cc2Cl)cc1 409174298 RKDSVAWGYLWGRB-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3F)n2C)cc1C 409203990 AXEQIPRVEZVPIV-RFBIWTDZSA-N 416.521 5.918 0 40 HKAB C[C@H](c1ccccn1)N(C)C(=O)CSc1ncnc2scc(-c3ccccc3)c12 520940736 CXAZJWZLDRAJDH-OAHLLOKOSA-N 420.563 5.065 0 40 HKAB Cc1c(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(=O)ccn1CCC(C)C 524735075 SUWPDXCIJHQSKX-UHFFFAOYSA-N 420.509 5.013 0 40 HKAB Cc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2cccc(Cl)c2)cc1 575608471 UXMRAHHNXRZRGV-GYHWCHFESA-N 409.894 5.460 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](c1ccco1)c1cccs1 585146848 ZWMUCFLJAIPXCE-HNNXBMFYSA-N 412.898 5.520 0 40 HKAB CC(C)[C@@H]1C[C@H](c2ccc(Cl)cc2)CO[C@H]1c1cccc(OCC(=O)N(C)C)c1 585295286 SWZVVAFWLMZGKZ-APTRMMRNSA-N 415.961 5.324 0 40 HKAB CC[C@H]1CCCN(C(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3onc(C)c23)C1 606351285 AMDUWWGHMMNATL-AWEZNQCLSA-N 417.431 5.479 0 40 HKAB O=C1C[C@H](c2cccc(C(F)(F)F)c2)c2cc(Br)c3ccccc3c2N1 998696 LQKAFCHUEFTEBE-OAHLLOKOSA-N 420.228 6.095 0 40 HKAB Cc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 1053876 JLNXJCYGBBEATK-DEOSSOPVSA-N 402.519 5.022 0 40 HKAB CC1(C)C[C@]2(C[C@@H](c3ccccc3Cl)Oc3cc(O)c(Cl)cc32)NC(=S)N1 1065278 PMUHCWYQISFPNP-PXNSSMCTSA-N 423.365 5.065 0 40 HKAB Cc1ccc2cc(CN(Cc3ccccc3)C(=S)NC3CCCCC3)c(=O)[nH]c2c1 1223829 QCQHLHAGHRFSSZ-UHFFFAOYSA-N 419.594 5.046 0 40 HKAB CC(C)c1nc2sc3c(NCCc4ccccc4)ncnc3c2c2c1CCCC2 1240299 LBGSEBVOUXHTFQ-UHFFFAOYSA-N 402.567 5.896 0 40 HKAB CC(=O)Nc1ccccc1S[C@H](CC(=O)c1ccco1)c1ccc2c(c1)OCO2 1463270 YNUMZAUJPFCUSI-JOCHJYFZSA-N 409.463 5.073 0 40 HKAB CCCCCN(CCCCC)C[C@H](O)c1cc2c(c3ccc(Cl)cc13)CCCC2 1591942 MCZIZKWZMRJYDP-SANMLTNESA-N 416.049 7.088 0 40 HKAB CCN(CC)CCOc1ccc(CN[C@H](C)CCC2=C(C)CCCC2(C)C)cc1 1758898 ZUVFIPSVQKJRER-JOCHJYFZSA-N 400.651 6.192 0 40 HKAB CCCC[C@H](CC)C(=O)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl 2069863 ZTIQWWWARPWBEW-SFHVURJKSA-N 400.950 5.467 0 40 HKAB CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 2070149 AMWCCIKWTRTIOZ-UHFFFAOYSA-N 420.292 5.531 0 40 HKAB COc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc(C)c(C)c3)c2)cc1 2146200 KAFAXJWCYNQARK-ZZIIXHQDSA-N 413.517 6.583 0 40 HKAB biogenic O=C(NC(c1ccccc1)c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2170611 UHDFKCYUHGKQKP-UHFFFAOYSA-N 423.356 6.244 0 40 HKAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccc(C)cc1 2889748 IECMSIQWRGTIIP-UHFFFAOYSA-N 415.898 5.181 0 40 HKAB O=C(COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1 3234738 ASWZRPJCWTXEEF-UHFFFAOYSA-N 417.358 5.628 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1 3647664 XJROZWDGPZVQNA-INIZCTEOSA-N 415.493 5.729 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccc(Cl)cc4C3=O)c(C)c2)c1 4105040 JYLNFNPCCLUKNU-UHFFFAOYSA-N 404.853 5.010 0 40 HKAB COc1ccc(C2=NN(C(=O)c3ccccc3F)[C@@H](c3ccccc3Cl)C2)cc1 4174209 UYYRUODZRHFYEG-JOCHJYFZSA-N 408.860 5.479 0 40 HKAB CCn1c2ccccc2c2nnc(SCc3csc(-c4ccccc4)n3)nc21 5490514 VYJVWQHTPJHYTI-UHFFFAOYSA-N 403.536 5.415 0 40 HKAB CCOc1ccccc1OCCCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 5825365 ABNJSGLNAKJRIQ-GOSISDBHSA-N 410.539 5.218 0 40 HKAB CCN(CC)c1ccc(N[C@H](C(=O)c2ccccc2)c2ccc3c(c2)OCO3)cc1 5883639 UGBMNACLLOMDEK-DEOSSOPVSA-N 402.494 5.298 0 40 HKAB COc1ccc(NC(=O)c2ccc(NC(=O)Cc3coc4cc(C)ccc34)cc2)cc1 6271498 JUBHTCRQLCWEHA-UHFFFAOYSA-N 414.461 5.183 0 40 HKAB CCCCC1=N[C@@H]2Sc3c(NCCc4ccccc4)ncnc3[C@H]2C2=C1CCC2 6309865 VJPVCPKWDBIHAA-HYBUGGRVSA-N 404.583 5.772 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2-c2ccccc2)c1 6422342 ZRDIWJUGSNRIGB-UHFFFAOYSA-N 418.497 5.113 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4cccc(C)c4)c3)nc2c1 6449734 CZTGXPSMZCYZNR-SFHVURJKSA-N 414.505 6.334 0 40 HKAB COc1ccc(OC)c2c1[C@@H](c1ccc(Br)cc1)O[C@@H]1CCCC[C@H]21 6668313 XUCXXQOFQMYVJS-GCKMJXCFSA-N 403.316 5.612 0 40 HKAB COc1ccc(NCC[C@@]2(c3cccc(C(F)(F)F)c3)CCOC(C)(C)C2)cc1 6671860 GXCJOIYVXBELHQ-JOCHJYFZSA-N 407.476 6.043 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)O)c1 8434551 XQGSZLIANAPENA-UHFFFAOYSA-N 416.477 5.014 0 40 HKAB Cc1[nH]c2ccccc2c1[C@H]1[C@H](CCNC(=S)Nc2ccc(Cl)cc2)C1(C)C 8766691 ZONYZKLNGMMSCG-GHTZIAJQSA-N 412.002 6.246 0 40 HKAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(Cl)c3)c3ccccn23)cc1C 9316896 PHYKECGINILHQP-UHFFFAOYSA-N 417.896 5.275 0 40 HKAB c1ccc(Nc2nc(CSc3nnc(-c4cccs4)n3C3CC3)cs2)cc1 9469680 NSTRAHNIOISMHJ-UHFFFAOYSA-N 411.581 5.834 0 40 HKAB C[C@@H](NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccco1 9602906 YKEQYWPNDGCAJR-MRXNPFEDSA-N 403.507 5.306 0 40 HKAB CC(C)c1ccc(-c2nc(CSc3nnc(Cc4ccccc4)o3)cs2)cc1 9911652 SOZRVLWWUOPRAK-UHFFFAOYSA-N 407.564 6.200 0 40 HKAB CC(C)(C)Nc1c(C2CCN(C(=O)CCc3ccccc3F)CC2)nc2ccccn12 12087465 OIIYFSHTMADYEG-UHFFFAOYSA-N 422.548 5.023 0 40 HKAB Cc1cc2nc(-c3cc(NC(=O)COc4ccccc4F)cc(C)c3O)oc2cc1C 12651600 MOZWFHGDWDERMW-UHFFFAOYSA-N 420.440 5.282 0 40 HKAB COc1ccc(/C=C(\Cl)c2nc3scc(-c4ccc(C)cc4)c3c(=O)[nH]2)cc1O 13042380 YMRFGJFMDFFWEF-SXGWCWSVSA-N 424.909 5.411 0 40 HKAB O=C(NCCSC1CCCCC1)c1ccc(OCc2ccccc2Cl)cc1 13687657 DWEITGQVMYDJEK-UHFFFAOYSA-N 403.975 5.715 0 40 HKAB Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1cccs1)O2 13778440 KXCBZJUWWVWHBU-IERDGZPVSA-N 410.882 5.373 0 40 HKAB CCn1c(-c2ccco2)nn(CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)c1=S 14197195 XXLHQXDDCHXUAZ-OAQYLSRUSA-N 422.529 5.512 0 40 HKAB Cc1ccc(/C=C/c2nn(CN3CCC[C@@H]3c3nc4ccccc4s3)c(=S)[nH]2)o1 14198057 FSFAEOKVSHKMRD-SXSDINLZSA-N 423.567 5.417 0 40 HKAB CN(C)[C@@H](CNC(=O)c1sc2ccccc2c1Cl)c1ccc(C(C)(C)C)cc1 15859874 RFIWKACKDHZJNK-SFHVURJKSA-N 415.002 5.885 0 40 HKAB CC(C)CC(CC(C)C)C(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)C(CC(C)C)CC(C)C 17021723 VKJGXDCZAZVSBQ-KIHHCIJBSA-N 406.651 6.335 0 40 HKAB Cc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)n(-c2ccccc2C)n1 18194996 UWDSNLBKXRHMNT-UHFFFAOYSA-N 406.873 5.358 0 40 HKAB COc1c(C)cccc1CN1CCC[C@H](c2cc(C(F)F)c3c(C)noc3n2)C1 19235967 DTCHWHGNGDMTSV-HNNXBMFYSA-N 401.457 5.165 0 40 HKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 20144698 LGBFOQQNPUMENG-ZDUSSCGKSA-N 420.292 5.460 0 40 HKAB C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc2c(c1)CCCC2 21398305 AXSXTFRQRRBNBE-HNNXBMFYSA-N 410.464 5.309 0 40 HKAB Cc1cc(I)ccc1NC(=O)[C@@H](C)Oc1ccccc1C(C)C 22528553 GUPQSBGSXWILIR-CQSZACIVSA-N 423.294 5.129 0 40 HKAB Cc1nn2c(-c3ccc(OC(=O)c4ccccc4)cc3)ccnc2c1-c1ccccc1 22607306 YUFMELRKQWVWOP-UHFFFAOYSA-N 405.457 5.591 0 40 HKAB O=C(C[C@H](C(=O)O)c1ccc(F)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 24992638 QPYDDWYWHQOLQB-SFHVURJKSA-N 413.832 5.468 0 40 HKAB COc1ccc(CNc2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc23)cc1 27985960 LGNTYUKUAQSODL-UHFFFAOYSA-N 408.461 5.573 0 40 HKAB Brc1ccc2nc(-c3nc4ccccc4[nH]3)cc(-c3ccccc3)c2c1 28051579 RYBAEHTZDLWHPE-UHFFFAOYSA-N 400.279 6.208 0 40 HKAB COc1ccc(SCC(=O)Nc2ccccc2Sc2ccccc2)cc1OC 30851547 ALDFNIMBPVIKFN-UHFFFAOYSA-N 411.548 5.586 0 40 HKAB O=C(Nc1ccccc1F)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1 31661235 VIBPODNBQHHABQ-UHFFFAOYSA-N 413.493 5.043 0 40 HKAB COc1cc2sc(NC(=O)c3cc(Cl)cc(Cl)c3OC)nc2cc1Cl 32127506 RCKJUOWNFPNFBJ-UHFFFAOYSA-N 417.701 5.526 0 40 HKAB Cc1ccc(Nc2c(-c3cccc(O)c3)nc3cccc(C)n23)cc1Br 35616352 YFHITJKOJAKWAN-UHFFFAOYSA-N 408.299 5.830 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38859937 RDJAAJUJZIRORB-UHFFFAOYSA-N 419.396 6.276 0 40 HKAB O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1cccc(Cl)c1 39860596 VUQOSZTWCHSARW-WOJGMQOQSA-N 416.285 6.494 0 40 HKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 44902638 IVKLGIRDEKXZFD-AEYMSQMJSA-N 417.593 6.567 0 40 HKAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1cccnc1SC1CCCCC1 72217332 WZGUZSFFCMDKGX-QFIPXVFZSA-N 410.583 6.370 0 40 HKAB O=C(C(c1ccccc1)c1ccccc1)N1CCC(CSc2ccccn2)CC1 90608039 MPENDCRBJHXKCH-UHFFFAOYSA-N 402.563 5.244 0 40 HKAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@@H](c4cccc(Cl)c4)C3=C(O)C2)cc1 102658952 TYTZQQUGMPFUTQ-VFNWGFHPSA-N 406.873 5.005 0 40 HKAB Cc1nc2n(n1)[C@@H](c1cc(F)cc(F)c1)C1=C(O)C[C@@H](c3ccc(F)cc3)CC1=N2 102680211 FAWIFIRAZBCDOR-ZSEKCTLFSA-N 410.399 5.069 0 40 HKAB O=C1[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 136509127 OQVMVLUBYGJINS-XOMBCNSKSA-N 417.508 5.106 0 40 HKAB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1Cc1ccccc1Br 215065740 NTAFOWMHRFGYFH-OQLLNIDSSA-N 408.704 5.339 0 40 HKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 222844907 CZRUNKKFPJPWLK-DNQXCXABSA-N 412.562 5.406 0 40 HKAB O=C(CCSc1ccc(Cl)cc1)Nc1nnc(-c2ccc(Cl)cc2)s1 222849654 OXMUMEJXGCGURC-UHFFFAOYSA-N 410.351 5.633 0 40 HKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1C1CCCC1 224162204 NYTKMNWRCWESJN-BJKOFHAPSA-N 416.594 5.792 0 40 HKAB COc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1COCC(C)C 224450624 SRCCSVRRUADAKY-UHFFFAOYSA-N 419.521 5.699 0 40 HKAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1cccc2ccccc12 224876066 GQIBJZCUKOVXKE-UHFFFAOYSA-N 421.294 5.829 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C)c3ccc(F)cc3)o2)c1 224905608 XWKVCNHSCNSJGZ-INIZCTEOSA-N 416.452 5.647 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCSCc2ccccc2Cl)c1 225244360 QAGATFFCIXKFSP-QGZVFWFLSA-N 405.991 5.589 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)c1 225363252 JPSKNPRKGWOWEK-LJQANCHMSA-N 405.563 6.676 0 40 HKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c2cccnc12 225869852 PSRGFQLJGLSZLP-UHFFFAOYSA-N 408.929 6.128 0 40 HKAB CNc1nc(-c2ccc(OC)c(NC(=O)c3cccc(C(F)(F)F)c3)c2)cs1 226096781 KJRGEDWQQKYFON-UHFFFAOYSA-N 407.417 5.132 0 40 HKAB Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1Cl 260781296 SPTAOYFTQPVLJQ-GQWLDOHISA-N 408.958 5.423 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)c(Cl)c1 408624830 CJFOJGUQLYWSCX-HNNXBMFYSA-N 401.963 5.154 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccc(C)c(C)c2)cc1 408694276 IGOWRENWLYQKID-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)nn2-c2cc(Cl)ccc2C)cc1 408697388 GXORORBIRLMHPG-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COc1ccccc1NC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccc(C)c(C)c2)n1 408700236 ZXHNEIKTURYIMM-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2c[nH]c3ccccc23)C1=O 408816044 QSDCPDIGMHWPCR-ITIHZHGDSA-N 416.570 6.222 0 40 HKAB CCCc1sc(NC(=O)c2ccccc2OC)nc1-c1ccc(Cl)cc1Cl 408826326 LGQXKRCHNCUTQY-UHFFFAOYSA-N 421.349 6.330 0 40 HKAB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/C=C/c1ccccc1 408839730 VWDSGKFTKURCDM-DUEVJXGLSA-N 400.286 6.109 0 40 HKAB Cc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12 409113873 JGLIBKOPMUMCQR-UHFFFAOYSA-N 422.355 7.646 0 40 HKAB Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)c2ccc(C)cc2C)cc1 409380783 IDABZHZKBVJXFR-UHFFFAOYSA-N 417.933 5.800 0 40 HKAB CCOC(=O)C1=C(CC)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(OC)cc1OC 1547208958 SHNWPUXRQRCCNJ-FQEVSTJZSA-N 413.514 5.101 0 40 HKAB COc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-c2ccccc2)cc1 882927 UKYDZIYHHPGMSZ-UHFFFAOYSA-N 422.554 5.054 0 40 HKAB Cc1nn(C(=O)c2ccccc2C(=O)c2ccccc2)c(C)c1Sc1ccccc1 944596 YEOQKJAGXSEXOH-UHFFFAOYSA-N 412.514 5.571 0 40 HKAB Cc1nnc(SCCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)s1 1100403 UYQDBIWXZDZRNC-UHFFFAOYSA-N 412.565 5.244 0 40 HKAB Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC4CCCC4)sc3C)ccc21 1354357 YUBORSLBNXTQKD-UHFFFAOYSA-N 417.578 5.984 0 40 HKAB O=C1C(Nc2cccc(Cl)c2)=C[C@H](c2cccs2)N1c1cccc(Cl)c1 1426241 HYWHWCCTBRVMOA-GOSISDBHSA-N 401.318 6.139 0 40 HKAB CN(C)CCCOc1ccc(N[C@H]2c3ccccc3CSc3ccccc32)cc1 2049812 LWAPUWSQIHHHOT-VWLOTQADSA-N 404.579 5.824 0 40 HKAB O=C(CCCCCCCC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 2133731 BXRNFWILHUVRFM-UHFFFAOYSA-N 407.341 6.301 0 40 HKAB Cc1ccc(-n2c(SCc3ccccc3C)nnc2-c2cccc(Cl)c2)cc1 2441147 WKMVPVLQHGMRAY-UHFFFAOYSA-N 405.954 6.497 0 40 HKAB O=C(NCCCc1nc2ccccc2n1Cc1ccccc1)c1ccc(Cl)cc1 2715323 HMLRKUGLVBHYIF-UHFFFAOYSA-N 403.913 5.101 0 40 HKAB COc1ccc([C@@H]2C=C(c3ccc(F)cc3)Nc3nc4ccccc4n32)c(OC)c1 2917958 VKFPQEKFNQVADP-QFIPXVFZSA-N 401.441 5.249 0 40 HKAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccccc1)c1ccccc1 3304949 UXZOSKFGEDRPJN-UHFFFAOYSA-N 410.502 5.391 0 40 HKAB CC(C)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C(C)C)cc2)cc1 3667554 QIURJUYTBXKMRM-AREMUKBSSA-N 414.549 6.616 0 40 HKAB Cc1ccc(-c2csc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)n2)cc1C 4491393 ABCBMTDBBPAMMG-VWLOTQADSA-N 409.558 6.783 0 40 HKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 4690196 ULBWIDAENBWOQE-UHFFFAOYSA-N 404.485 6.179 0 40 HKAB Clc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccc4ccccc34)=NN21 4863154 XHSREDLMCWSPAJ-AOYPEHQESA-N 410.904 6.736 0 40 HKAB COCCCn1c(C)cc(C(=O)CSc2nc(C)nc3sc(C)c(C)c23)c1C 5271558 HNVDXTGMFBEIPH-UHFFFAOYSA-N 417.600 5.046 0 40 HKAB CCCc1cc(N2CCC(Cc3ccccc3)CC2)n2nc(C)c(-c3ccccc3)c2n1 5388331 RUJQJFFTNZOTEV-UHFFFAOYSA-N 424.592 6.116 0 40 HKAB Cn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cc2ccccc2o1 6479976 XFVYUWSATQMXGE-UHFFFAOYSA-N 414.490 5.112 0 40 HKAB C[C@H](OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1ccc(Cl)cc1Cl 6886829 HTGOLNYEMPDSEP-NSHDSACASA-N 404.249 5.036 0 40 HKAB COc1ccc(N(CC(=O)c2ccc(Br)cc2)C2=NCCCCC2)cc1 7275505 GFLZCQRVVKKSCJ-UHFFFAOYSA-N 415.331 5.120 0 40 HKAB Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=S)cc1 8411899 NLYDLJCQEKMDDL-UHFFFAOYSA-N 400.507 5.017 0 40 HKAB FC(F)(F)Oc1ccc2nc(/C=C/c3cccc4ccccc34)c3c(c2c1)SCC3 8855474 BNQYFDYXCJTPCF-CSKARUKUSA-N 423.459 7.105 0 40 HKAB CCCCOc1c(Cl)cc(C(=O)Nc2nonc2-c2ccccc2)cc1Cl 8869491 WWIVOSAJIYQFKA-UHFFFAOYSA-N 406.269 5.475 0 40 HKAB CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@H]2CCCO2)cc1 8915832 AIQVVFKDZUPEIS-HXUWFJFHSA-N 422.352 5.142 0 40 HKAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1ccc(Br)s1 9404682 DKXURLHJVKMFES-UHFFFAOYSA-N 415.337 5.624 0 40 HKAB COc1ccccc1CNC(=O)c1ccccc1CSc1nc2ccccc2o1 9536479 RPVIWJFIEPBLBO-UHFFFAOYSA-N 404.491 5.059 0 40 HKAB CC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(F)cc4)ccc3o2)cc1 9660151 NXKGERYZXGTUAJ-UHFFFAOYSA-N 401.437 5.975 0 40 HKAB biogenic Cc1c(Cl)cccc1N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 9683265 GYIBSSVQTPRSFJ-HXUWFJFHSA-N 410.304 6.553 0 40 HKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)Cc2cccs2)cc1 9835744 KSBDGJXKJHZBAT-UHFFFAOYSA-N 404.535 5.496 0 40 HKAB COc1ccc(SCC(=O)Nc2nc3c(s2)CSc2ccccc2-3)cc1 10022846 DBUKUSZBTNPLTO-UHFFFAOYSA-N 400.550 5.155 0 40 HKAB CC(=O)c1ccccc1OCCSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 10031538 UHNVYMYGGHICIG-UHFFFAOYSA-N 422.531 5.025 0 40 HKAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 10120120 AFLBLESEZQAWQW-KRWDZBQOSA-N 400.478 5.848 0 40 HKAB CC(=O)Nc1ccc(NC(=O)Cc2coc3cc4c(cc23)CCC4)c(C(F)(F)F)c1 10641316 FMNJFSURDYFJSZ-UHFFFAOYSA-N 416.399 5.080 0 40 HKAB Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccc2coc(-c3ccccc3)c2c1 12274822 IGOMLKUQHRXUBL-UHFFFAOYSA-N 412.424 5.380 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)CCc1ncc(-c2ccccc2F)o1 12278530 NKFODADZZIFUEI-HNNXBMFYSA-N 420.440 5.018 0 40 HKAB Cc1ccc(-c2c3c(nc4sc5c(c24)CCCC5)-c2cc(F)ccc2SC3)cc1 12546856 WRVNOQVTRNZCPJ-UHFFFAOYSA-N 417.574 7.562 0 40 HKAB O=C(COc1ccc(Cl)cc1)Nc1ccc(Sc2nc3ccccc3[nH]2)cc1 12567340 PQYCODAYUZOQFC-UHFFFAOYSA-N 409.898 5.385 0 40 HKAB O=C(Nc1nc2c(F)c(F)c(F)cc2s1)c1ccccc1OCc1ccccc1 12619114 BPNYEQNVOJXPCK-UHFFFAOYSA-N 414.408 5.545 0 40 HKAB Cc1noc(CSc2ccc(C(=O)Nc3ccccc3Cc3ccccc3)cc2)n1 12736412 YJTYDHLLDINCBP-UHFFFAOYSA-N 415.518 5.513 0 40 HKAB CCc1sc(-c2nnc(CN[C@H](c3ccc(F)cc3)c3cccs3)o2)cc1C 12913484 OONLKCUDHVSKQJ-HXUWFJFHSA-N 413.543 5.749 0 40 HKAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1 13038895 XZTJELFXCCDJGK-VZUKYGCSSA-N 411.929 5.213 0 40 HKAB Cc1nc(N2CCN(c3ccccc3Cl)CC2)c2c3c(sc2n1)C[C@@H](C)CC3 13042101 BYNLLYIOPQEUPD-AWEZNQCLSA-N 412.990 5.105 0 40 HKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(C)c(C)c3)CC2=O)c1 13750714 ZCYGBJBVXRHHFD-JOCHJYFZSA-N 409.533 5.530 0 40 HKAB CC(=O)Nc1ccccc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 14152458 ITMGKBWISZHRFA-UHFFFAOYSA-N 402.825 5.048 0 40 HKAB Cc1nc(-c2ccc(CNC(=O)COc3ccccc3-c3ccccc3)o2)cs1 14189767 KFESCQMDIOYLCR-UHFFFAOYSA-N 404.491 5.074 0 40 HKAB CCc1nn2c(c1-c1ccccc1)N=C(c1ccc(OC)cc1)C[C@@H]2c1cccnc1 14607608 ZFVKVCWIYASODC-XMMPIXPASA-N 408.505 5.630 0 40 HKAB c1ccc(C(Sc2cccc3cccnc23)(c2ccccc2)c2ccccc2)cc1 16477657 CVMXUKFYFWJOKE-UHFFFAOYSA-N 403.550 7.319 0 40 HKAB CC(=O)N1N=C(c2ccc(Cl)cc2)Sc2c1nc(C1CCCCC1)n2C(C)=O 16777909 HLZCZBXKFMGZAB-UHFFFAOYSA-N 416.934 5.065 0 40 HKAB Cc1ccc(OCCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c(C)c1 16902457 ABSMKSGGZAISKK-HXUWFJFHSA-N 419.569 5.237 0 40 HKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(OC(C)C)cc4)c3)oc2c1 17092476 QNVXZZSXRJBNQQ-UHFFFAOYSA-N 420.896 6.496 0 40 HKAB CCC[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1 18135399 ZEPBPZHMFHBJSS-VWLOTQADSA-N 414.549 5.350 0 40 HKAB CCOC(=O)c1ccc(NC(=O)N2c3ccccc3Sc3ccccc32)c(Cl)c1 19933091 UFYLFIDMHTWYSZ-UHFFFAOYSA-N 424.909 6.352 0 40 HKAB COc1ccc(S[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC 20105764 NEVQHRBHOSYOSJ-SNVBAGLBSA-N 419.852 5.495 0 40 HKAB COc1ccc(C(=O)O)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 20139916 MFUBEQMUSYIKRT-UHFFFAOYSA-N 406.221 5.213 0 40 HKAB CCOc1ccc(CCC(=O)NCCSCc2cccc(Cl)c2)cc1OCC 20461142 SGCQWDKAUJNHFZ-UHFFFAOYSA-N 421.990 5.120 0 40 HKAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1ccc(C)cc1C 21524497 PAAODZPIGHHBBY-QHCPKHFHSA-N 405.542 5.196 0 40 HKAB CCOc1cc(/C=C/C(=O)O)cc(Br)c1OCc1ccccc1Cl 22077305 FSOMJFMIFPKSCB-BQYQJAHWSA-N 411.679 5.178 0 40 HKAB COC(=O)c1ccccc1NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 23679880 XPPCJOZMFABKCE-UHFFFAOYSA-N 421.305 5.085 0 40 HKAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccccc1Oc1ccccc1Cl 24401482 YXBQIMWDNPXVAH-UHFFFAOYSA-N 421.909 6.212 0 40 HKAB Cc1nc(NCCOc2ccc(Cl)cc2Cl)sc1C(=O)Nc1ccccc1 27233715 SPJWUOSZLLQMEO-UHFFFAOYSA-N 422.337 5.502 0 40 HKAB COc1ccc(CC(=O)Nc2nnc(-c3ccccc3-c3ccc(F)cc3)s2)cc1 27914004 LVKWREAAKHOPIL-UHFFFAOYSA-N 419.481 5.201 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1c(C)nn(Cc2ccc(F)cc2Cl)c1C 28230599 READSOUYLXRCCP-UHFFFAOYSA-N 422.287 5.255 0 40 HKAB COc1ccc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1Cl 32594133 JINHIUQCLYTBBQ-UHFFFAOYSA-N 405.841 5.318 0 40 HKAB COc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc(Br)c1OC 36611898 WGOCDDRYCBZBFO-OAHLLOKOSA-N 412.283 5.094 0 40 HKAB O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1ccccc1Cl 46022265 NBNHICNXSVFJGE-UHFFFAOYSA-N 417.987 5.635 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)c1 46078961 FEWUWNRGZUORAW-UHFFFAOYSA-N 402.469 5.288 0 40 HKAB CCOc1ccccc1OCC(=O)N(C1CC1)[C@H](C)c1cccc(C(F)(F)F)c1 58700919 IGGNLUZIFFOILT-OAHLLOKOSA-N 407.432 5.235 0 40 HKAB CCOc1ccccc1CNC(=O)c1scc(-c2cccc(C)c2)c1-n1cccc1 64472521 LFDPBGHJCOCBJE-UHFFFAOYSA-N 416.546 5.843 0 40 HKAB Cc1ccccc1-c1noc(-c2cn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)n1 67245385 YRMZUGOVGFXEHW-UHFFFAOYSA-N 413.864 5.670 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(SC)cc2)cc1 67297755 FOMZXZSLVZQIBY-LCUIJRPUSA-N 416.502 5.648 0 40 HKAB CCCC1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCCO4)=NN12 67321559 RAADUKIDQWFMTD-ZRTADFRUSA-N 418.537 5.688 0 40 HKAB O=c1c2sccc2nc(SCc2cccc(Cl)c2)n1Cc1ccc(F)cc1 71327574 YHLPUYZYLSWIPN-UHFFFAOYSA-N 416.930 5.591 0 40 HKAB Cc1ccc2[nH]cc(CCn3c(-c4ccccc4)cs/c3=N/C3CCCCC3)c2c1 101379464 JVIIZNIWYSEFAR-BYCLXTJYSA-N 415.606 6.482 0 40 HKAB O=C(Nc1cccc(-c2nccs2)c1)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 103701651 PHOFJLPOXUHZLY-RCRDTURJSA-N 417.372 5.483 0 40 HKAB Cc1c(-c2ccccc2)cc(-c2ccccc2)c2c1-c1ccccc1[C@@H]2c1ccccc1 104140233 QDHNWEUICOBIFG-HKBQPEDESA-N 408.544 8.490 0 40 HKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC 106707113 APERMTNZOQYEDM-RDPIHGLISA-N 411.523 5.417 0 40 HKAB CCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1 107043246 OBQDDWYYIBJNPL-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)o2)cc1C 108002021 DFZDYGKAHNTBIT-UHFFFAOYSA-N 408.457 6.624 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914696 LNGLEOIUQBVRRY-UWHHQQOESA-N 400.647 6.856 0 40 HKAB Cc1c(C(=O)NCC2(N3CCCCC3)CCCCC2)n(C)c2ccc(Cl)cc12 141596188 DUPYMGUMSPIZIX-UHFFFAOYSA-N 401.982 5.059 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)CCCSc2ccc(Cl)cc2)cc1 222693972 AFPADBLQBSDDOO-NRFANRHFSA-N 405.991 6.125 0 40 HKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 224332630 CLDNSVLHYGDIRK-ZEQRLZLVSA-N 418.610 5.820 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1 224461400 BOHOKWILPBPXOC-XMMPIXPASA-N 405.538 5.490 0 40 HKAB Cc1cc(NC(=O)C2(c3ccccc3Cl)CCCCC2)ccc1OC1CCCC1 225554921 GSRUMIPJVQUFFO-UHFFFAOYSA-N 411.973 6.810 0 40 HKAB Cc1cc(NC(=S)NCCCSCc2ccccc2)ccc1Br 225597425 DVRFPXXTBREINE-UHFFFAOYSA-N 409.418 5.367 0 40 HKAB CC[C@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(C)cc1C 225717030 USNHJUUEXGMNOE-QFIPXVFZSA-N 409.599 5.367 0 40 HKAB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1C(=O)OC 225823369 CTEIJBOGVFKEPK-UHFFFAOYSA-N 421.578 5.458 0 40 HKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3cccc(Br)c3)n2)cc1 225835808 FSCHEGYLGXNDNE-UHFFFAOYSA-N 414.303 5.194 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)cc1 225934055 OBIRSIKOXKRUBD-UHFFFAOYSA-N 405.925 5.803 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)c(N)c2)cc1Cl 226268732 BVYLECSWOADGBE-LBPRGKRZSA-N 408.329 5.215 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2ccc(Cl)cc2)o1 408619915 DFASNIUBIZTAIA-UHFFFAOYSA-N 400.183 6.525 0 40 HKAB Cc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2cccc(C)c2C)n1 408699451 UHWOBODHAFCCIU-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CC[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C1=O 409008726 CDWALSXYXUVZFY-NJPLLEPOSA-N 420.328 5.852 0 40 HKAB Cc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccncc2)cc1C 409108741 XSWPOZHEPDRLHI-UHFFFAOYSA-N 422.557 6.392 0 40 HKAB Cc1cccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)c1C 409121264 YTZILFVVJOVRHW-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB CCC(=O)Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c1 409171637 BPTYXFJRUONSCJ-QHCPKHFHSA-N 421.880 5.470 0 40 HKAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2ccc(-c3cccnc3)cc2)cc1 585091840 ZIKNTJBEYOXCET-UHFFFAOYSA-N 422.484 5.289 0 40 HKAB CC(C)Sc1ccc(CC(=O)NC[C@@H](O)c2ccc(-c3cccs3)s2)cc1 1775966860 HSNDANUZNNQIMT-QGZVFWFLSA-N 417.621 5.369 0 40 HKAB C[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)C1 651996 AGXARBXKZVCISS-OAHLLOKOSA-N 409.327 5.536 0 40 HKAB S=C(Nc1ccccc1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 1160734 PMXJOEXRGXKABC-UHFFFAOYSA-N 412.474 5.959 0 40 HKAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)C3CCCCC3)cc12 1366513 WAQNUEFBXNWSJK-UHFFFAOYSA-N 416.565 5.297 0 40 HKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@@H](C(C)C)OC3 1798229 JIUCLCUFQNVHJB-KRWDZBQOSA-N 414.596 5.355 0 40 HKAB CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)cc4C)c3)nc2c1 1842086 WFNNLOKKPBCFEW-UHFFFAOYSA-N 404.897 6.580 0 40 HKAB CCOc1ccc([C@@H](CCc2ccccc2)NC(=O)Cc2ccccc2)cc1OCC 2127272 XYUBOUUZHHFPFS-XMMPIXPASA-N 417.549 5.517 0 40 HKAB CSc1nc(SCC(=O)Nc2ccc(C)cc2)c2c3c(sc2n1)CCCC3 2221491 VVVXDFXKXGINFR-UHFFFAOYSA-N 415.609 5.331 0 40 HKAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(Cl)cc2)n1C 2619769 PEEOWPHQNGXWJH-UHFFFAOYSA-N 401.919 5.029 0 40 HKAB Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Br)c1 2654289 BZGBRIKBDFFKPD-UHFFFAOYSA-N 409.283 5.262 0 40 HKAB Cc1ccc(CSc2nc3c(c(=O)n2-c2ccc(Cl)cc2)SCC3)cc1 2720011 DYNCAMFBNSTPNO-UHFFFAOYSA-N 400.956 5.135 0 40 HKAB FC(F)(F)c1cnc(-n2cc(C3SCCCS3)c3ccccc32)c(Cl)c1 3048736 QXCKMZJGKXMKPY-UHFFFAOYSA-N 414.905 6.566 0 40 HKAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1sc2ccccc2c1Cl 3194004 QIOAWGFQJIXYDG-UHFFFAOYSA-N 410.907 6.677 0 40 HKAB CCOc1ccc(OCCSc2nnc(Nc3ccc(C)cc3C)s2)cc1 3436764 SEMGLVDSUCSTNQ-UHFFFAOYSA-N 401.557 5.468 0 40 HKAB Clc1ccc(OCCSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 3623882 KFMVBCDQUCXZAV-UHFFFAOYSA-N 406.938 6.568 0 40 HKAB Clc1nc(CSc2ccc(Br)cc2)nc2sc3c(c12)CCC3 3886943 CXZCLANSATZZHH-UHFFFAOYSA-N 411.777 5.888 0 40 HKAB O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(Br)cc1 4618308 TYKBJTYYCANUDP-UHFFFAOYSA-N 404.285 5.042 0 40 HKAB O=C(COc1ccc(Br)cc1)Nc1cc(C(F)(F)F)ccc1Cl 4723338 PMGINWYLAKNZMK-UHFFFAOYSA-N 408.601 5.139 0 40 HKAB CC(=O)Oc1ccc(C(=C2CC=CC[C@H]2C(C)C)c2ccc(OC(C)=O)cc2)cc1 4963830 QDPGBHOCBUJKDJ-DEOSSOPVSA-N 404.506 5.961 0 40 HKAB CCCCC(=O)Nc1c(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc2n1C 5450830 OGRLHVOHBODTSR-UHFFFAOYSA-N 403.309 5.641 0 40 HKAB Cc1cccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)c1 5458498 DUTDQQWIKOWTKM-IRLDBZIGSA-N 418.338 6.254 0 40 HKAB c1nc(Nc2ccc3c(c2)nc2n3CCCCC2)c2c3c(sc2n1)CCCCC3 5636718 YQLWRXZQCVLIBT-UHFFFAOYSA-N 403.555 5.780 0 40 HKAB CCOC(=O)c1ccc2c(c1)nc(/C=C/c1ccc(OCCC(C)C)cc1)n2CC 5692624 XSGLHPZWVYBVLA-NTEUORMPSA-N 406.526 5.828 0 40 HKAB Cc1cc(C)cc(CSCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 8335581 WTBHPISWDWJYGZ-UHFFFAOYSA-N 411.954 6.621 0 40 HKAB CCSc1ccccc1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 8496034 ZZTZGASUVOSUSM-UHFFFAOYSA-N 404.535 5.023 0 40 HKAB CC[C@@H]1Oc2c(OC)cc(Br)cc2[C@@H]2CC(c3ccc(Cl)cc3)=NN12 9290996 NNJNUAGMWFUVJF-WMZOPIPTSA-N 421.722 5.391 0 40 HKAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1nnc(-c2cccs2)o1 9336136 AABWJHNRRVXFKL-LLVKDONJSA-N 413.503 5.384 0 40 HKAB Cc1cc(C)c2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3cccs3)c2c1 9341032 AKCKZZODQOKTDF-UHFFFAOYSA-N 415.470 6.137 0 40 HKAB biogenic Cc1sc(NC(=O)C2(c3ccccc3)CC2)nc1-c1ccc(Br)cc1 12611640 QFVAMCWCMBORNT-UHFFFAOYSA-N 413.340 5.551 0 40 HKAB COc1ccc(-c2csc(-n3nccc3-c3ccc(Cl)cc3Cl)n2)cc1 12952427 BTYHFBOERZTMIQ-UHFFFAOYSA-N 402.306 5.978 0 40 HKAB O=C(c1cccc(Br)c1)n1cc(-c2ccc(Cl)nn2)c2ccccc21 12961229 MLKGMGCXQOVEPT-UHFFFAOYSA-N 412.674 5.203 0 40 HKAB Cc1ccccc1N(Cc1coc(-c2ccc(F)cc2)n1)S(=O)(=O)c1ccccc1 12973287 NKIIFNRRIUEMOT-UHFFFAOYSA-N 422.481 5.185 0 40 HKAB CC(C)OC(=O)C[C@@H](NC(=O)c1ccccc1C(F)(F)F)c1ccccc1Cl 14018533 MEMAOHCPSAHGOL-QGZVFWFLSA-N 413.823 5.172 0 40 HKAB CCn1c(SCc2nc(-c3ccc(C)cc3)no2)nnc1-c1c[nH]c2ccccc12 14136586 RKLYQYJLAFWVMM-UHFFFAOYSA-N 416.510 5.097 0 40 HKAB CN(Cc1ccccc1)c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 16768298 RMXAFTVEVGTSMZ-UHFFFAOYSA-N 424.935 6.377 0 40 HKAB Cc1cc(C)cc(NC(=O)c2sc(COc3ccc(C(C)(C)C)cc3)nc2C)c1 27912789 MCMFAIIZOXRNIS-UHFFFAOYSA-N 408.567 6.197 0 40 HKAB Cc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)cc3)c3ccccc23)c(C)c1 28535373 USGVZWVSHYYZQA-UHFFFAOYSA-N 417.896 5.435 0 40 HKAB Cc1ccc(CCC2CCN(Cc3nc(O)c4oc5ccccc5c4n3)CC2)cc1 29146917 OINDKWLPZSARIN-UHFFFAOYSA-N 401.510 5.235 0 40 HKAB O=S(=O)(NCc1ccc(Cl)cc1Cl)c1ccc(Oc2ccccc2)cc1 30866125 PXPUTQOKRJBJAE-UHFFFAOYSA-N 408.306 5.264 0 40 HKAB CN(Cc1nnc(-c2ccccc2)o1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 32547936 VUJZFTDUAYGEJH-UHFFFAOYSA-N 421.504 5.221 0 40 HKAB O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2c(F)cccc2Cl)cc1 32761003 RHIGURHFOOAJJR-UHFFFAOYSA-N 412.892 5.167 0 40 HKAB C[C@@H](NC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)c1ccc(-n2ccnc2)cc1 32794947 PSQYHWNODNSAKG-OPAMFIHVSA-N 420.513 5.223 0 40 HKAB Cc1nc(SCC(=O)N2CCc3ccccc32)c2cc(-c3ccccc3)sc2n1 32945186 VLSMYNNKIOWKIL-UHFFFAOYSA-N 417.559 5.348 0 40 HKAB CN(Cc1ccsc1)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 40057078 UQIMFNDREWVNEN-LGMDPLHJSA-N 400.503 5.648 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(C)c1 49005159 CDQACNVPNTVKTG-SFHVURJKSA-N 406.505 5.534 0 40 HKAB O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(Cl)cc1 57486719 OGNRMCFHURXVKB-UHFFFAOYSA-N 413.264 5.151 0 40 HKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 59195332 ZCTXCNSZKYFJQJ-BKUYFWCQSA-N 407.828 5.403 0 40 HKAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C2c3ccccc3-c3ccccc32)CC1 59392888 MPHDMOFLSHZMDD-UHFFFAOYSA-N 411.501 5.123 0 40 HKAB O=C(Nc1ccccc1)N1CCCCC[C@H]1C1CCN(c2nc3ccccc3o2)CC1 69929161 POEUFJLLDGSYGY-QFIPXVFZSA-N 418.541 5.521 0 40 HKAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2Cc2ccc(C)cc2OC)n1 72390645 LPIAXFBGEOJSHP-QHCPKHFHSA-N 416.569 5.535 0 40 HKAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12 95477395 QLEBNOVJVNUCOA-FQEVSTJZSA-N 405.929 5.156 0 40 HKAB c1ccc(-c2ccc(Cc3nn4c(-c5cc6ccccc6o5)nnc4s3)cc2)cc1 96193847 YGSYJJRKITUTFO-UHFFFAOYSA-N 408.486 5.857 0 40 HKAB COc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc(OC)c1 98086511 ZZXYRCQRPLOQND-IUXPMGMMSA-N 424.305 5.247 0 40 HKAB Cc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)Nc2nc3ccccc3n21 101229538 XRNWJIKSICSIKP-IRLDBZIGSA-N 408.332 6.798 0 40 HKAB CC(=O)Nc1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 106717666 UMEDSRPEWGEQJQ-MFOYZWKCSA-N 421.305 5.188 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4cccc(=O)o4)CC[C@@H]32)C1 118924413 NJSXEKDLWSSOHT-AACJOILJSA-N 412.570 5.698 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC([N+](=O)[O-])=C4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118924501 IIZJIZFOGQTBIO-YLRLDMTISA-N 415.662 8.022 0 40 HKAB O=C(NCc1ccc(C(=O)c2ccsc2)s1)NCc1cccc2ccccc12 211085544 NZRJZSZKHOJTDF-UHFFFAOYSA-N 406.532 5.193 0 40 HKAB O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1ccc(Br)cc1 214908313 ORVIVVBYBCGRDG-VDHUBAETSA-N 400.297 5.242 0 40 HKAB Cc1nc(C(F)(F)F)ccc1COc1cc(Cl)c2c(CC(=O)O)csc2c1 220828244 IXAAPJMGWLXOIL-UHFFFAOYSA-N 415.820 5.483 0 40 HKAB CC(C)CNC(=O)c1ccccc1NC(=O)CCCSc1ccc(Cl)cc1 222686123 OFFHHJFISDHTOA-UHFFFAOYSA-N 404.963 5.237 0 40 HKAB CC[C@H](NC(=O)CCCSc1ccc(Cl)cc1)c1ccc(OC)c(OC)c1 222696267 POAMWWNQAAIILR-SFHVURJKSA-N 407.963 5.497 0 40 HKAB C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccccc4Sc4ccccc4)cn1c23 223096779 YWOHSMMKIBSCED-INIZCTEOSA-N 412.514 5.522 0 40 HKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2)c1 223947917 YGYQRDFMZKQGJA-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1cccc2ccccc12 224301135 FPQABKGURANLHJ-UHFFFAOYSA-N 417.892 6.333 0 40 HKAB COc1ccc(C(=O)Nc2cccc3ccccc23)cc1CSc1ccc(C)cc1 224335897 FLICZTNCWBTESP-UHFFFAOYSA-N 413.542 6.701 0 40 HKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)C1(c2ccccc2)CCCC1 224344250 OGRABZJRNDXMQV-UHFFFAOYSA-N 421.924 6.591 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1CN1CCCC1 224800551 MUBDUHLXHYALMX-XMMPIXPASA-N 408.586 5.054 0 40 HKAB Cc1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3Cl)s2)c(C)c1 225058850 DGJAPVBGAQYVQI-UHFFFAOYSA-N 424.378 6.006 0 40 HKAB CC(C)(C)c1ccccc1O[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O 225133564 PDZBSOPOZLJSEY-QHCPKHFHSA-N 424.924 6.505 0 40 HKAB O=C(Nc1ccc(OCCCN2CCCCC2)cc1)C1(c2ccc(F)cc2)CCCC1 225520626 PMUFNCCMUMOAHL-UHFFFAOYSA-N 424.560 5.531 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C(=O)OC 225681333 SLYGFTGBRXAMCI-MRXNPFEDSA-N 413.489 5.240 0 40 HKAB Cc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1Cl 225852525 NHAXAOJLYPTXQF-UHFFFAOYSA-N 412.908 6.423 0 40 HKAB Cc1cc(C)c2oc(-c3cc(Br)c[n+](Cc4ccc(F)cc4)c3)nc2c1 226308395 ALVYLFXOSFUKHQ-UHFFFAOYSA-N 412.282 5.349 0 40 HKAB CCCCCCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 253498493 HHENOUDBWKNPAB-RKACRQDKSA-N 400.603 6.401 0 40 HKAB CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1F 408557588 PAJBZCIXVKYEAX-UHFFFAOYSA-N 422.500 5.471 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CN3C(=O)c4cccc5cccc3c45)ccc21 408607408 MATMINUZPUWSBU-UHFFFAOYSA-N 419.484 5.567 0 40 HKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3c(C)cc(C)cc3C)sc2n1 408618802 GTADOFTUAJUESF-UHFFFAOYSA-N 412.584 5.191 0 40 HKAB CCOc1ccccc1N(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 408623275 FDFDDWKBUXDAHA-UHFFFAOYSA-N 419.905 5.273 0 40 HKAB CCCc1nc(S/C(=C\c2ccc(-c3cc(Cl)ccc3C)o2)C(=O)O)n[nH]1 408631245 GVOJUWTYFJKCDO-YBEGLDIGSA-N 403.891 5.197 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2ccc(C)cc2C)c1 408700078 YROKFZZQAOIXCA-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)Oc3ccc4c5c(c(=O)oc4c3)CCC5)sc2c1 408841669 GNTDGJYGIHDFLV-UHFFFAOYSA-N 410.878 5.677 0 40 HKAB Cc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 408973206 KGBKYXNNFMRJDL-VWLOTQADSA-N 416.546 5.064 0 40 HKAB CCN1C(=O)S/C(=C/c2ccc(OC)c(OCc3c(F)cccc3Cl)c2)C1=O 409344610 HPCMWKZKGBJYKZ-VCHYOVAHSA-N 421.877 5.123 0 40 HKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1c(-c2ccccc2)nc2ccccn12 606422402 WVBGXQZATPUJKA-YOEHRIQHSA-N 400.309 5.531 0 40 HKAB CC(C)c1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1 919323 JZVXSLFWPBASHQ-MAUKXSAKSA-N 418.419 5.512 0 40 HKAB O=C(C[C@@H](Sc1ccccc1)c1cc(Cl)c2c(c1)OCO2)c1cccs1 945412 ZETBMDUOKSBYOL-LJQANCHMSA-N 402.924 6.237 0 40 HKAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cccc(Cl)c3C)c2c1 952863 VXRQARDHQBSKLN-UHFFFAOYSA-N 412.873 5.294 0 40 HKAB O=C(CSc1ncc(-c2ccccc2)n1C1CCCC1)N1CCCc2ccccc21 1339969 HXEIDMAUWWVYSP-UHFFFAOYSA-N 417.578 5.737 0 40 HKAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 1352798 ABZWJTFOINSFIY-UHFFFAOYSA-N 421.884 5.317 0 40 HKAB COc1ccccc1NC(=O)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCC1 1371609 WUVMCOLHFJHGQD-UHFFFAOYSA-N 419.525 5.130 0 40 HKAB COc1ccc(-c2c(C)oc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)cc1 1463855 BKUZBJQQUYADJZ-UHFFFAOYSA-N 406.865 6.009 0 40 HKAB biogenic Cc1ccc(OCCn2c(SCCOc3ccccc3)nc3ccccc32)cc1 2058890 PNCBJXVNIRRHJP-UHFFFAOYSA-N 404.535 5.595 0 40 HKAB in-vitro CC(C)CCNC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 2399070 RTCVTIUGLCBDLT-UHFFFAOYSA-N 415.541 5.055 0 40 HKAB CCOc1nc(-c2cccc(OC)c2)ccc1-c1noc(-c2ccccc2Cl)n1 2410711 VJARDFAVDNUUMW-UHFFFAOYSA-N 407.857 5.526 0 40 HKAB O=C(Nc1nnc(C2CC2)s1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2616509 FTZLTUMQZNHXPG-UHFFFAOYSA-N 406.898 5.536 0 40 HKAB C[C@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)NCCC1=CCCCC1 2640028 XKPLYZVAVOXNKQ-INIZCTEOSA-N 423.607 5.846 0 40 HKAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccc(Cl)cc1Cl 3140673 BTUDHLHKTRDPBN-UHFFFAOYSA-N 410.256 6.019 0 40 HKAB CN(Cc1ccccc1)P1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 3174572 FFKVRIHOKNLGDO-UHFFFAOYSA-N 403.487 7.141 0 40 HKAB Cc1nn(-c2nc3ccccc3s2)c2nc(-c3cccs3)cc(C(F)(F)F)c12 3197654 GXNHNRNXLXRVFO-UHFFFAOYSA-N 416.453 6.086 0 40 HKAB Cc1nc(Sc2nnc3sc4ccccc4n23)c2c3c(sc2n1)CCCC3 3205473 YTVYZBZQBSAXBB-UHFFFAOYSA-N 409.565 5.287 0 40 HKAB O=C(Cc1ccc(Cl)cc1Cl)Nc1nnc(SCc2ccccc2)s1 3305022 QPNQKFBIZBPUAC-UHFFFAOYSA-N 410.351 5.318 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(Cl)cc2)cc1 3655290 ABUVMGFGPWQDIJ-UHFFFAOYSA-N 419.864 5.643 0 40 HKAB Cc1ccc2nc(N(CCCN(C)C)C(=O)c3cccc(C(F)(F)F)c3)sc2c1 4359534 KJMSFUXHFPDMGB-UHFFFAOYSA-N 421.488 5.222 0 40 HKAB Cc1ccc([C@@H]2CC(=O)c3cnc(Nc4nc(C)c5ccc(C)cc5n4)nc3C2)cc1 4777119 IHPPURCUCMQARZ-SFHVURJKSA-N 409.493 5.001 0 40 HKAB Fc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2cc4c(cc23)OCO4)cc1 4970129 PKVLBEVPJLVVCN-UHFFFAOYSA-N 401.372 5.248 0 40 HKAB CCOc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(Cl)cc4)c3c2c1 4970167 QGUROFOTAIDSRL-UHFFFAOYSA-N 413.908 6.601 0 40 HKAB Cc1cccc2c(=O)c(-c3ccccc3)c(NC(=O)c3ccc(C(C)(C)C)cc3)oc12 5030910 PQDGECBDDDXYPD-UHFFFAOYSA-N 411.501 6.318 0 40 HKAB Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)CCC1CCCCC1 5240109 MCNFFTJHSZBSMT-UHFFFAOYSA-N 403.526 5.302 0 40 HKAB COc1ccc(-c2nnc(SCC(=O)c3ccccc3)n2-c2ccc(C)cc2)cc1 5484643 OMSQNCZGGYOFHM-UHFFFAOYSA-N 415.518 5.226 0 40 HKAB C/C(=N\Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)Nc1ccccc1S2 5494711 UGEQECUDTKAOMH-WYMPLXKRSA-N 400.334 7.038 0 40 HKAB Cc1ccc(NC(=O)CSc2cc(C)nc3c(-c4ccccc4)c(C)nn23)cc1 5576906 KLOZSINSHNHWAA-UHFFFAOYSA-N 402.523 5.052 0 40 HKAB Clc1ccccc1OCCSc1nnc(-c2cccs2)n1-c1ccccc1 6045698 WJPRPTRLRINZCW-UHFFFAOYSA-N 413.955 5.820 0 40 HKAB S=C(c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1)N1CCCCC1 6321020 FWJUGVJSLYYVKM-UHFFFAOYSA-N 414.785 6.387 0 40 HKAB Cc1ccc(-c2nnc(SCc3nnc(C)o3)n2-c2ccccc2C(C)C)cc1 6365449 BGZKTUVEEZJBPP-UHFFFAOYSA-N 405.527 5.350 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc(O)c(-c3nc4cc(Cl)ccc4o3)c2)cc1 6500676 SDKJDOLKUITGKB-UHFFFAOYSA-N 422.868 5.895 0 40 HKAB c1ccc2c(c1)N=C(c1cccc3ccccc13)C[C@H](c1cccc3ccccc13)S2 6576481 DWAZTJAWVKZQFO-GDLZYMKVSA-N 415.561 8.351 0 40 HKAB O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NCc1ccccc1Cl 6579647 OEFGYBFWLJJHCZ-UHFFFAOYSA-N 411.741 5.629 0 40 HKAB Cc1cc(C)c2nc(NC(=O)c3ccccc3NC(=O)c3ccccc3)sc2c1 6788447 SOBDEEATPZASCG-UHFFFAOYSA-N 401.491 5.418 0 40 HKAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1C 6966768 NIQFAPXTVRXSQZ-LPYMAVHISA-N 413.502 5.202 0 40 HKAB O=S(=O)(c1cccc(Cl)c1Cl)N1CCC[C@@H]1c1nc2ccccc2s1 7217438 ALCHLYHDJLFYFK-CYBMUJFWSA-N 413.351 5.129 0 40 HKAB O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCCSc4ccccc43)ccc21 7719203 VMSBJDPGSMLIIJ-QFIPXVFZSA-N 415.514 5.283 0 40 HKAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc(-c2cn3ccsc3n2)cc1 7738281 GPUWRQAAFREFEG-UHFFFAOYSA-N 402.306 5.551 0 40 HKAB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 7882097 DTHYSPICFVHKML-TZIWHRDSSA-N 414.505 5.336 0 40 HKAB Cc1csc(SCc2c(C(=O)Nc3c(C)cccc3C)oc3ccccc23)n1 8039478 JTJQTNRLCMAEGR-UHFFFAOYSA-N 408.548 6.359 0 40 HKAB CCc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)C(C(=O)OC)=C2C)cc1 8085632 VCCXJEJZZNMRTK-WQRHYEAKSA-N 416.304 5.433 0 40 HKAB Cc1cc(C(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)c(C)n1C1CC1 8628971 YKCOPYYGNFYUMP-UHFFFAOYSA-N 400.689 5.440 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 8723938 YPSPJYUHQRLKPI-LJQANCHMSA-N 410.533 5.563 0 40 HKAB COCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccc(F)cc1 9059977 NIZAOGJIRKKSJL-UHFFFAOYSA-N 420.488 5.076 0 40 HKAB CC(C)c1ccccc1NC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1 9393172 QFVGFRNNVVGSCD-UHFFFAOYSA-N 419.572 5.657 0 40 HKAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(-c3ccco3)o2)c2ccccc2)c1 9516364 DHQCGSDWLPYYEC-IBGZPJMESA-N 405.479 5.419 0 40 HKAB CC(=O)c1ccc(NC(=O)Cc2csc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 11865882 QMXRVSWYISCEDT-UHFFFAOYSA-N 420.412 5.093 0 40 HKAB CCc1ccc(Cc2cnc(NC(=O)c3cc4ccccc4c(=O)s3)s2)cc1 12274420 KIPJPKQSANJXOP-UHFFFAOYSA-N 406.532 5.124 0 40 HKAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)c1cc(Cl)sc1Cl 12553901 HGUUSEMIZGBUHT-UHFFFAOYSA-N 410.351 5.488 0 40 HKAB COc1c(Cl)cc(S(=O)(=O)c2cc(Cl)c(OC)c(Cl)c2)cc1Cl 13300897 UJJFKLNXAPMXTA-UHFFFAOYSA-N 416.109 5.150 0 40 HKAB FC(F)(F)c1cc(-c2cccs2)nc2cc(-c3ccc(Br)cc3)nn12 13893898 ZASJRNQDLHTZBG-UHFFFAOYSA-N 424.245 5.906 0 40 HKAB Cc1cccc(/N=c2\scc(-c3cc4ccccc4o3)n2C[C@@H]2CCCO2)c1C 15910625 SPQDAMJOGNBOSX-LYEHZDMLSA-N 404.535 5.991 0 40 HKAB O[C@H](CNCc1c(OCc2ccccc2F)ccc2ccccc12)c1ccccc1 16477391 PVEYTMUOBPHCTR-RUZDIDTESA-N 401.481 5.381 0 40 HKAB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccccc1Br 17170907 BQTKYXKKWFUEDX-UHFFFAOYSA-N 416.325 5.435 0 40 HKAB CCCCCC[C@H](C)OC(=O)CCSCCC(=O)O[C@H](C)CCCCCC 17354437 CNJFANVNNVEFCV-BGYRXZFFSA-N 402.641 6.304 0 40 HKAB Clc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccco2)cc1Cl 17729761 TYNKXGJPNVIWLT-ATJXCDBQSA-N 401.318 6.397 0 40 HKAB CSCCN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 19370923 OQIBCVFIRXSUFA-IBGZPJMESA-N 405.032 5.069 0 40 HKAB COc1ccc(CC(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1F 19691245 AVOROWXHCHRAPG-QHCPKHFHSA-N 422.475 5.250 0 40 HKAB COc1ccc([C@@H](C)NC(=O)N2c3ccccc3Sc3ccccc32)cc1OC 22531296 UHAMBCOFCMGJLR-OAHLLOKOSA-N 406.507 5.777 0 40 HKAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3occc3-c3ccccc3)cc2)n1 23012775 ZJZIECWXKZMJET-UHFFFAOYSA-N 401.491 5.757 0 40 HKAB CC(C)Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccc4c(c3)OCO4)o2)cc1 25010413 OETPPILXDMERHW-QGZVFWFLSA-N 420.509 5.079 0 40 HKAB O=C(NC[C@H](c1ccc(Br)cc1)c1c[nH]c2ccccc12)c1ccccc1 27742027 RFIZKYVMXJASDU-HXUWFJFHSA-N 419.322 5.492 0 40 HKAB CCOc1ccccc1-c1noc(CSCc2coc(-c3ccc(C)cc3)n2)n1 31420155 HTRAQRMXLYJBOF-UHFFFAOYSA-N 407.495 5.532 0 40 HKAB Fc1ccccc1-n1ncc2c(C(F)(F)F)cc(-c3ccc4c(c3)OCCO4)nc21 36616204 PFVRUGMFVJREJM-UHFFFAOYSA-N 415.346 5.017 0 40 HKAB Cc1cc(C)c(Cn2c3ccccc3n3c(=O)cc(-c4ccc(F)cc4)nc23)c(C)c1 40484783 VDCAOQUFAICVIH-UHFFFAOYSA-N 411.480 5.429 0 40 HKAB CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(C3CCCCC3)cc2)c2ccccc12 41091089 NXRWNCKTDWKKOZ-UHFFFAOYSA-N 423.534 5.614 0 40 HKAB Cn1c(SCc2ncc(C(C)(C)C)o2)nc2scc(-c3cccs3)c2c1=O 58144918 GBFWDQAKSJQAGF-UHFFFAOYSA-N 417.581 5.301 0 40 HKAB Cc1csc(Sc2ccc(NC(=O)c3ccccc3C(F)(F)F)c(C)c2)n1 84093386 ZVVKUQNGEBUCTC-UHFFFAOYSA-N 408.470 6.182 0 40 HKAB O=C(/C=C/c1ccc(OCc2ccc(Br)cc2)cc1)Oc1ccccc1 85397250 WETRTRKODYTWQP-XNTDXEJSSA-N 409.279 5.647 0 40 HKAB c1ccc(C23N=NC(c4ccccc4)([C@@H]4c5ccccc5[C@H]42)[C@H]2c4ccccc4[C@@H]23)cc1 101042908 ZGICMEIBGZXTNZ-QHNOGPKKSA-N 410.520 7.019 0 40 HKAB O=C1N=C(Nc2cccc(OC(F)(F)F)c2)/C(=C\c2ccc3nccnc3c2)S1 103498809 AZSFUKCNOMFBFO-CXUHLZMHSA-N 416.384 5.247 0 40 HKAB C[C@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(Cl)cc1 222629574 AITTYEGDZJTVKC-HNNXBMFYSA-N 421.327 6.700 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1C1CCCCC1 223081903 RKUOJEKHFPWLBT-SJORKVTESA-N 422.417 5.211 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)NCCOc3cc(C)ccc3C)cc2)cc1 223981988 GPZOGJNJUXZZQH-UHFFFAOYSA-N 405.563 5.713 0 40 HKAB COc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1cc(C)cc(C)c1C 224274352 VZXJSVVVSMMORD-UHFFFAOYSA-N 407.554 5.820 0 40 HKAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COc3ccc(C)c(C)c3)c2)c1 224291718 PWLLQZCLBJEMTO-UHFFFAOYSA-N 421.493 5.161 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)c1cc(Br)ccc1Cl 225071300 MOXCGBNOIXGZMB-UHFFFAOYSA-N 418.743 6.506 0 40 HKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225276197 BUVSLTPCAUQLQQ-MRXNPFEDSA-N 401.919 5.271 0 40 HKAB Fc1cccc(F)c1NC(=S)NCCSCc1ccc(Cl)cc1Cl 225341767 APMHIQSJFLOIIX-UHFFFAOYSA-N 407.338 5.491 0 40 HKAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1Cl 225511534 ICWHCKSTWBFFGG-QGZVFWFLSA-N 401.934 5.513 0 40 HKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225615343 UEOLEYFTAPESDU-OAQYLSRUSA-N 418.622 5.213 0 40 HKAB COc1ccc(NC(=O)C(Cc2ccccc2)(c2ccccc2)c2ccccc2)cn1 225936170 SUHUVUXCGFCOQE-UHFFFAOYSA-N 408.501 5.258 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(Cl)ccc2C)cc1 408543930 GDGWYJTWYHDOFV-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1nnc2sc(-c3ccccc3NC(=O)c3cccc4c(Cl)cccc34)nn12 408571742 DXLZDEKMSDMMTA-UHFFFAOYSA-N 419.897 5.220 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cc(Cl)ccc1Cl 408573256 NESULTVOMBBHMC-DHZHZOJOSA-N 417.317 5.780 0 40 HKAB Cc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1Cc1ccccc1 409189711 NHLREIBUYWXVNZ-FYJGNVAPSA-N 422.937 6.048 0 40 HKAB O=C1/C(=C/c2cc3c(cc2Br)OCO3)c2ccccc2N1c1ccccc1 409194409 LAQRNCNYNKSSOU-LICLKQGHSA-N 420.262 5.397 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409377150 FEGSIARTFQGAKM-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB COc1ccc([C@@H](NC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)C(C)C)cc1 604419414 MVTPPHBKMGDBOX-AVRDEDQJSA-N 423.582 5.591 0 40 HKAB CCC(=O)Nc1cccc(Oc2ccc(Oc3cccc(NC(=O)CC)c3)cc2)c1 1421705 XYFAVPWNLCRIGO-UHFFFAOYSA-N 404.466 5.968 0 40 HKAB COc1ccc(CNCC[C@H](c2ccc(OC(C)C)cc2)c2ccccc2OC)cc1 1813013 GHCVIPZFNLGPME-RUZDIDTESA-N 419.565 5.803 0 40 HKAB CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)nc2ccccc12 2074071 UOUPMZFXAUJGJA-UHFFFAOYSA-N 413.546 5.898 0 40 HKAB CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1c1ccc(Br)cc1 2085977 RZITZTFQQGFOJC-NRFANRHFSA-N 423.310 5.619 0 40 HKAB C[C@H]1CCc2c(C(=O)Nc3ncc(Cc4ccccc4Cl)s3)csc2C1 2222354 YYVWFNZPHBVEAK-LBPRGKRZSA-N 402.972 5.826 0 40 HKAB Cc1ccc(Sc2c(C)nn(C(C)(C)C)c2OC(=O)c2ccc3c(c2)OCO3)cc1 2718633 FDLOFZCVURLFPK-UHFFFAOYSA-N 424.522 5.354 0 40 HKAB CCc1ccccc1NC(=O)c1c(C)c(-c2ccc(Cl)cc2)nc2ccccc12 2738316 BVDJOUGRAPOFJL-UHFFFAOYSA-N 400.909 6.678 0 40 HKAB CC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)c3c2[C@@H]2CC[C@@]3(C)C2(C)C)cc1 3166420 GIDULPZDMIBFIE-RXFWQSSRSA-N 413.521 5.502 0 40 HKAB O=C(O[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1)c1ccco1 3245530 STVLTKCOHLXKJG-KRWDZBQOSA-N 423.774 5.489 0 40 HKAB CCCc1c(C(=O)OCC)c2cc(O)c3ccccc3c2n1-c1ccc(OCC)cc1 3257698 NNSGFTUETIUBCG-UHFFFAOYSA-N 417.505 6.017 0 40 HKAB CCc1cccc(C)c1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 3259973 KUNJUJHSVHOVOZ-UHFFFAOYSA-N 414.461 5.161 0 40 HKAB CCOc1ccc(NC(=O)CSc2nnc(Nc3ccc(C)cc3C)s2)cc1 3344624 UVOOIEDKENOGHO-UHFFFAOYSA-N 414.556 5.028 0 40 HKAB COc1cc(OC)c(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1Cl 3365884 MUPFACFJEHGPBE-UHFFFAOYSA-N 414.914 5.958 0 40 HKAB CCOc1ccc(NC(=S)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 3388492 YSFYDWDTIIHILU-KRWDZBQOSA-N 419.550 5.385 0 40 HKAB Cc1cccc(-n2c(-c3ccc(Br)cc3)nc(=S)c3c2CCCC3)c1 3644424 GGVUAYHLAHJUIR-UHFFFAOYSA-N 411.368 6.219 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\C=C\c1ccco1 4076680 UMTNXSOYNXUORQ-MVDSOVFWSA-N 406.570 6.043 0 40 HKAB Cc1ccc2c(c1)[C@](C)(c1ccccc1)CC(C)(C)N2C(=O)c1ccc2c(c1)OCO2 4603996 KLPBMWNKFVUSRG-MHZLTWQESA-N 413.517 5.859 0 40 HKAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(F)cc2)n2c(nc3ccccc32)N1 4742058 YLLUIODRBAWAPM-JOCHJYFZSA-N 416.431 5.242 0 40 HKAB O=[P@@]1(c2ccccc2)C=C(c2ccccc2)N(c2ccccc2)N=C1c1ccccc1 4888905 HZXVLYYKRNWPCT-WJOKGBTCSA-N 420.452 6.556 0 40 HKAB CCCC[C@H](CC)CNC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12 4949041 YHAGWSMGPPBZFF-FQEVSTJZSA-N 410.561 7.001 0 40 HKAB COc1cccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(F)cc2)c1 5350548 IXDTULDEDMTOPG-UHFFFAOYSA-N 405.450 5.329 0 40 HKAB CCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2cccs2)c2ccccc2)C[C@H]1C 5484873 SPCRETWFWXOSRM-UTKZUKDTSA-N 404.535 5.671 0 40 HKAB COc1ccc([C@@H](CCNCc2ccc(OC(C)C)cc2)c2ccc(F)cc2)cc1 5517994 BLHMFYDBWSNAGG-SANMLTNESA-N 407.529 5.933 0 40 HKAB O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1 5598893 LYDGNBJKKUUXTO-UHFFFAOYSA-N 417.486 6.072 0 40 HKAB CCCCc1cc(=O)oc2cc(OCC(=O)c3ccc(-c4ccccc4)cc3)ccc12 6399346 UZZDHHYRIOELEI-UHFFFAOYSA-N 412.485 6.064 0 40 HKAB COc1ccc(-c2c(C)nn3c(-c4ccccc4)cc(-c4ccccc4)nc23)cc1OC 6721567 DGIUJNYNMXRRMW-UHFFFAOYSA-N 421.500 6.056 0 40 HKAB CCCn1c(NCc2cn(-c3ccccc3)nc2-c2cccs2)nc2ccccc21 6752540 DRZHCOXDYUBLLH-UHFFFAOYSA-N 413.550 5.973 0 40 HKAB Clc1ccc(-c2nnc(SCCOc3ccccc3)n2-c2ccccc2)cc1 6896807 HESYKGRPIAYNCY-UHFFFAOYSA-N 407.926 5.759 0 40 HKAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1CCC1=CCCCC1 7564718 JGGXLWUCXUQMNR-UHFFFAOYSA-N 411.527 5.613 0 40 HKAB O=C([C@H](Sc1nnc(-c2cccc(Cl)c2)o1)c1ccccc1)N1CCCCC1 8133450 KBBYVSUECPQNCM-GOSISDBHSA-N 413.930 5.236 0 40 HKAB Cc1cccc(NCc2nn(CC(=O)c3ccccc3)c(=S)n2-c2ccccc2)c1 8414871 RGXGMNUHCLLMBF-UHFFFAOYSA-N 414.534 5.207 0 40 HKAB Cc1cccc(C)c1OCc1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1 9165028 YBEGKTPLLAPQRE-UHFFFAOYSA-N 423.325 5.685 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(CSCc2ccc(F)cc2)s1 9166757 WFRZIWZAPDRQIF-UHFFFAOYSA-N 408.911 5.408 0 40 HKAB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2C)cc1 9288559 TZKIMGYHGCZQQC-DEOSSOPVSA-N 424.504 5.281 0 40 HKAB CCN(C(=O)CSc1nnc(-c2cccs2)n1CC)c1cccc2ccccc12 9507268 NEQVNYXHJIFPRS-UHFFFAOYSA-N 422.579 5.325 0 40 HKAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)c1 10120117 YXZNSJCKTCFDQJ-KRWDZBQOSA-N 400.478 5.848 0 40 HKAB C[C@H]1CCc2ccccc2N1C(=O)CSc1nn(-c2ccccc2)c(=S)s1 12009019 IFASAEYGOMPYOV-AWEZNQCLSA-N 413.593 5.123 0 40 HKAB O=C(Nc1ccc(OCCc2ccccc2)cc1)C(c1ccccc1)c1ccccc1 12137981 QJHVPUMGWWOJMC-UHFFFAOYSA-N 407.513 6.079 0 40 HKAB COc1ccc2c(-c3ccccc3)cc(S[C@H](C(N)=O)c3ccccc3)nc2c1 12257613 IWEGOXIBDZPBTE-QHCPKHFHSA-N 400.503 5.229 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC(F)F)cc2)cc1 12600996 ICHPWTKGSWWOBH-FYYLOGMGSA-N 422.431 5.539 0 40 HKAB Cc1ccc(NC(=O)CN(C)C(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 12905396 VSVMWXGBXXSVLH-UHFFFAOYSA-N 407.322 5.227 0 40 HKAB CCCCCCn1c(-c2cc3ccccc3o2)cs/c1=N\c1ccc(OC)cc1 13110080 QTZARHDLROPZBN-IZHYLOQSSA-N 406.551 6.784 0 40 HKAB Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 14152930 UVDIUOSQOXQRKT-UHFFFAOYSA-N 417.456 5.510 0 40 HKAB Cc1ccc(-c2cc(C)nc(SCC(=O)c3ccc(Br)cc3)n2)cc1 14152944 NJGIWWYIQLNMFJ-UHFFFAOYSA-N 413.340 5.498 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccccc2)cc1 14609668 RYHFUGARRIYCKJ-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)NC(=S)Nc1ccccn1 17091339 AAIBTVQSNOUGIT-CSKARUKUSA-N 418.305 5.175 0 40 HKAB CSC1=NC2=C(CCC/C2=C\c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1 18212412 KLHZPIQXLHOTBC-MQMQVCBVSA-N 415.389 6.878 0 40 HKAB CNc1nc(C)c(C(=O)N2CCC[C@@H]2c2cc(Cc3cccc(C)c3)cc(C)n2)s1 19692056 OVQDWVUXYNNQRR-OAQYLSRUSA-N 420.582 5.073 0 40 HKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1C(=O)Nc1ccc(F)cc1 20428708 RRVTZEVQNVMEPW-UHFFFAOYSA-N 406.501 5.623 0 40 HKAB CCn1ccc(CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(Cl)cc2)n1 20614366 CMXIEVWPXRRDDH-UHFFFAOYSA-N 417.962 5.075 0 40 HKAB Cc1oc(-c2ccccc2)nc1CSc1nc2ccccc2n2c(C(C)C)nnc12 21658035 IABGOILMRMPXLE-UHFFFAOYSA-N 415.522 5.657 0 40 HKAB CCOC(=O)c1cc(Cl)c(OCc2ncc(-c3ccc(F)cc3)o2)c(Cl)c1 24985682 JEULGLNUAMRZHQ-UHFFFAOYSA-N 410.228 5.543 0 40 HKAB Cc1ccc2c(C)c(C(=O)NC[C@H](c3cccs3)N3CCCCCC3)oc2c1C 28293708 VJRPKHBZGIOMGW-HXUWFJFHSA-N 410.583 5.767 0 40 HKAB Brc1ccc([C@H]2N[C@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1 31716551 IRGYIDPXYHPMEG-RPWUZVMVSA-N 416.318 6.373 0 40 HKAB O=C(Nc1ccc(-c2nc(-c3ccccc3)no2)cc1)c1cc(-c2cccs2)on1 32593901 JPGXMLVFPWVEPT-UHFFFAOYSA-N 414.446 5.372 0 40 HKAB CC(C)(C)c1nc(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)no1 32765238 SDWSJBSWXHCEHA-UHFFFAOYSA-N 417.966 5.686 0 40 HKAB Cc1ccc(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 33575478 CEMJRELXTLROKU-UHFFFAOYSA-N 406.334 5.697 0 40 HKAB O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1ccc(-c2ccccc2)cc1 36360648 PGMYNDATTNCVIF-UHFFFAOYSA-N 407.429 5.515 0 40 HKAB Cc1ccc(C(=O)N[C@@H](C)c2ccccc2OC(F)F)cc1NC(=O)c1ccccc1 40086877 OJZYGNMAGSWSJL-INIZCTEOSA-N 424.447 5.340 0 40 HKAB Cc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2-c2ccccc2)cc1 44086047 GOONOQNXZQTUAN-UHFFFAOYSA-N 406.536 5.035 0 40 HKAB O=C(Nc1ccccc1)C1CCN(C(=O)c2sc3sccc3c2Cl)CC1 48288193 BRUHYZDCWOADDG-UHFFFAOYSA-N 404.944 5.107 0 40 HKAB Cc1nc(-c2cc(C)n(CC(=O)Nc3ccc4oc(C(C)C)nc4c3)c2C)cs1 48326504 CUPRCHSGRKDUMV-UHFFFAOYSA-N 408.527 5.440 0 40 HKAB Cc1c([C@H](C)NC(=O)Nc2cccc(C3SCCCS3)c2)oc2ccccc12 84068154 HYJRZIIZKCTWDA-HNNXBMFYSA-N 412.580 6.493 0 40 HKAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)c1ccccc1C(=O)OCC(F)(F)C(F)F)C2 101828921 LITJOVYGBCQFMZ-LCMPSIMXSA-N 416.411 5.115 0 40 HKAB Cc1noc2c1[C@H](c1ccc(Cl)c(F)c1)C1=C(O)C[C@H](c3ccc(O)cc3)CC1=N2 102735479 AKJBCOQULQVICZ-SZNDQCEHSA-N 424.859 6.089 0 40 HKAB CCOc1ccc(C2=C[C@@H](c3ccccc3F)n3c(nc4ccccc43)N2)cc1Cl 102799618 RFDMQUWSJXXJBF-QFIPXVFZSA-N 419.887 6.284 0 40 HKAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 223552632 BVKLVQRPGFPXLM-JOCHJYFZSA-N 422.613 5.119 0 40 HKAB CC(C)c1ccccc1OCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 223798433 XHXICUNQHSHGEL-UHFFFAOYSA-N 423.940 5.851 0 40 HKAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 223866412 VCEFGKIJRXRLIQ-PKTZIBPZSA-N 418.566 5.271 0 40 HKAB COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccc(Cl)c(C)c1 224211847 ORKJKCJSPLXRGH-UHFFFAOYSA-N 415.961 6.079 0 40 HKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C1CC1 224425280 RXKWETVMYAKICF-FGZHOGPDSA-N 406.530 5.151 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccc(C)cc1 224473664 ZGIVGPAOPWZBEV-GOSISDBHSA-N 423.940 6.117 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1cccc(OC)c1 224590076 YDWHMCKUUQVGAA-UHFFFAOYSA-N 423.534 5.647 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)NCc1cccc(CN2CCCCC2)c1 224677891 LHEPWCOEVHMJCZ-UHFFFAOYSA-N 412.577 5.511 0 40 HKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccccc2CN2CCCCC2)c1 224850829 NUPWBXFACJETHM-OAQYLSRUSA-N 408.586 5.188 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224885719 KAYWQRFLCJOLBD-UHFFFAOYSA-N 419.706 5.637 0 40 HKAB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)c2cccnc12 225896209 HLNPJVBZHGQVFL-UHFFFAOYSA-N 400.563 5.830 0 40 HKAB Clc1ccc2[nH]c(CN3CCC(c4cccc(Nc5ccccn5)n4)CC3)nc2c1 257276021 NSBBYGQLEPUBMB-UHFFFAOYSA-N 418.932 5.130 0 40 HKAB O=C1CS[C@H](c2ccccc2OCc2cccc(F)c2)N1c1ccc(Cl)cc1 408556779 LNDJXMBHAQVSSF-JOCHJYFZSA-N 413.901 5.837 0 40 HKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccc(F)cc2)nc1-c1ccccc1 408696169 XDSDSWUMSZTNOO-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2cccc(C)c2C)c1 408697361 GQBYPZMFWFJLIB-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)c(C)c1 408729513 BYVMGMWCGHBMTG-OJKWPBSESA-N 407.513 5.048 0 40 HKAB O=C(O)c1ccc(CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)cc1 408749538 HJWDAQIHWBZRKJ-UHFFFAOYSA-N 420.515 5.539 0 40 HKAB COc1cccc(/C=C2\N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)c1C 408969412 NHPINEBZFJSOKW-ZSOIEALJSA-N 418.301 5.870 0 40 HKAB CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 409100546 UMGMHFFKSWDBMB-UHFFFAOYSA-N 421.353 5.176 0 40 HKAB CCOc1cc(Cl)c(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 409195109 TVTVOZVDDIBNCS-RQZCQDPDSA-N 424.305 5.642 0 40 HKAB COc1cccc(/C=C2/SC(=O)N(C)C2=O)c1OCc1ccc(Cl)cc1Cl 409341752 FUGIJKHCLVOGPB-LZYBPNLTSA-N 424.305 5.247 0 40 HKAB O=C(O)CCCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccc(Cl)cc1 575628199 YXAVHSGKSACKKW-UHFFFAOYSA-N 407.322 5.621 0 40 HKAB O=C(CCCCCn1cccc1)N1CCc2[nH]c3ccc(OC(F)(F)F)cc3c2C1 604418680 GIGITWAPIRIMHS-UHFFFAOYSA-N 419.447 5.013 0 40 HKAB CCOc1ccc(-c2cc(C(=O)O)c3cc(Br)ccc3n2)c(OCC)c1 647366 KZYDJVKDQJNUED-UHFFFAOYSA-N 416.271 5.160 0 40 HKAB COc1ccc([C@H](CC(=O)c2cccs2)Sc2ccccc2NC(C)=O)cc1 723799 AHKKZWCXZZGMBN-QFIPXVFZSA-N 411.548 5.822 0 40 HKAB O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 1099413 ISQOWOAKYPSPFP-UHFFFAOYSA-N 417.490 5.285 0 40 HKAB COc1ccc(CNc2c(-c3cc4cc(C)ccc4[nH]c3=O)nc3cc(C)ccn23)cc1 1330225 HUPLUPIWOVLLGM-UHFFFAOYSA-N 424.504 5.080 0 40 HKAB Cc1cc2c(ncn2C(C)C)c(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1C 1388514 SMYIIAYYFUTYMM-UHFFFAOYSA-N 412.342 5.342 0 40 HKAB Cc1ccc(NC(=O)c2sccc2SCc2cccc(C(F)(F)F)c2)cc1 1393150 YXNLKILMFJWHGA-UHFFFAOYSA-N 407.482 6.620 0 40 HKAB Cc1ccc(NC(=O)Oc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)cc1 1398635 VISCYBWZDPJNJL-UHFFFAOYSA-N 420.818 6.264 0 40 HKAB Cc1ccc(N2C(=O)c3cc(C)nc(SCc4ccc(F)c(F)c4)c3C2=O)cc1 1405560 LPRLTSGQMKLQSF-UHFFFAOYSA-N 410.445 5.070 0 40 HKAB Cc1nc(N2CC[C@@H](c3ccccc3)C2)c2sc(=S)n(-c3ccccc3)c2n1 1444472 ROIATJSJNGGJPH-QGZVFWFLSA-N 404.564 5.514 0 40 HKAB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cccc(F)c1 1816753 VOYYCUYYOZZLLW-UHFFFAOYSA-N 416.839 6.693 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2)c(C)c1 1859516 PTUHCCDNSOLSMZ-UHFFFAOYSA-N 417.559 5.707 0 40 HKAB Cc1ccc(-c2csc(NC(=O)CCCOc3ccc(Cl)cc3C)n2)cc1 2080182 IPJPTIQUKOQSFW-UHFFFAOYSA-N 400.931 5.878 0 40 HKAB O=C(NCc1cccnc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1 2122569 OQCHRRFAEAZIAB-UHFFFAOYSA-N 412.880 5.362 0 40 HKAB biogenic CCCCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 2148770 BTQHYWXMDVKDJF-UHFFFAOYSA-N 417.531 5.401 0 40 HKAB CCCCn1nc(NC(=O)c2ccccc2OCC)c2cc3cc(OC)ccc3nc21 2209600 XAQJUBWEQZDWNX-UHFFFAOYSA-N 418.497 5.044 0 40 HKAB COc1ccc(-c2cc(=O)oc3cc4occ(-c5ccc(Cl)cc5)c4cc23)cc1 2238106 KEEMXGQHCFDBFD-UHFFFAOYSA-N 402.833 6.535 0 40 HKAB COc1ccc(-c2nnc(SCc3cccc4ccccc34)n2-c2ccccc2)cc1 2447676 ZYLQNWSALAHRTC-UHFFFAOYSA-N 423.541 6.388 0 40 HKAB COc1ccc(-c2nc3c4ccccc4ccn3c2CN2CCCCC2)cc1OC 2472534 HRCFEMOJDWYOBQ-UHFFFAOYSA-N 401.510 5.158 0 40 HKAB Cc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5)CC4)c23)cc1C 2888998 BLNBVEMUYNWLSM-UHFFFAOYSA-N 400.551 5.302 0 40 HKAB Cc1ccc(-c2csc(NC(=O)CSc3cc(Cl)ccc3Cl)n2)cc1 3325025 BNZRDCZRKYAPPE-UHFFFAOYSA-N 409.363 6.156 0 40 HKAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3cc(=O)c4ccccc4o3)n2)cc1 4079267 YQMHFDOUEUEARP-UHFFFAOYSA-N 404.491 5.466 0 40 HKAB CCN(CC)C(=O)Oc1ccc2cc(Br)ccc2c1Br 4263147 WCSFBMKVBLPWQH-UHFFFAOYSA-N 401.098 5.205 0 40 HKAB Fc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3nc(-c4ccccc4)cn32)cc1 4863801 AUOUVTHEQQZCBA-QHCPKHFHSA-N 401.872 6.457 0 40 HKAB Cc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2ccccc2)cc1C 4890868 MTYKBGYPHVOQSQ-UHFFFAOYSA-N 405.567 5.537 0 40 HKAB COc1ccc(-c2ocnc2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC 5002037 LBKAOXZXVLAHSX-UHFFFAOYSA-N 416.433 5.403 0 40 HKAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nc3cc(Cl)ccc3s2)c1C 5780558 STJDOJHHTMBVGH-JTQLQIEISA-N 408.932 5.045 0 40 HKAB Cc1nnc(SCc2ccc(C(=O)Nc3ccccc3)cc2)n1Cc1ccccc1 6531768 QKXAKNXOMIKVIR-UHFFFAOYSA-N 414.534 5.179 0 40 HKAB COc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2C)cc1OCc1ccccc1 6825146 YWQLYMGWLKRIEC-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB Cc1occc1-c1nnc(SCCSc2cc(Cl)ccc2Cl)n1C 7236661 NBFKSKONYLLMGB-UHFFFAOYSA-N 400.356 5.575 0 40 HKAB COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)CCc2ccccc2)c1 7347563 BQBCASXMJYTXKO-UHFFFAOYSA-N 414.461 5.265 0 40 HKAB CNC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CC[C@@H](C)C2 7386474 ZUZREEWBWVUIGP-OAHLLOKOSA-N 404.535 5.152 0 40 HKAB Cc1cc(-c2csc(N)n2)c(C)n1NC(=O)c1sc2ccccc2c1Cl 7763002 FAUHTUDASQICGA-UHFFFAOYSA-N 402.932 5.063 0 40 HKAB C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4cc(Cl)ccc4N4CCCC4)cc3c2C1 7986974 GAEPEPSNCXGLPS-OAHLLOKOSA-N 407.945 5.799 0 40 HKAB c1ccc(-c2nc3sc4c(NCc5ccccn5)ncnc4c3c3c2CCC3)cc1 8395357 GHRGVWXEIAFDPA-UHFFFAOYSA-N 409.518 5.402 0 40 HKAB COc1ccc(CCNCc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 8474481 INRWKKXLPFLRMP-UHFFFAOYSA-N 416.348 5.913 0 40 HKAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1ncnc2ccccc12 8745171 IQTIBBWMEKPBQT-UHFFFAOYSA-N 421.444 5.168 0 40 HKAB O=c1c2sc3ccccc3c2n(Cc2ccccc2)c(=O)n1-c1ccc(Cl)cc1 8756858 AMOOBMBYMVQELM-UHFFFAOYSA-N 418.905 5.069 0 40 HKAB COc1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc1Br 9190366 FDSKNXOAZRJDCX-UHFFFAOYSA-N 413.227 5.111 0 40 HKAB COc1ccc(OCC(=O)N(Cc2ccc(C(C)(C)C)cc2)Cc2ccco2)cc1 9204803 AAZQRJGISNBFTG-UHFFFAOYSA-N 407.510 5.194 0 40 HKAB Cn1c(NC(=O)c2ccccc2Cl)c(-c2cccc(Cl)c2)c(=O)c2ccccc21 9327882 CJXUTDHZQSIHHT-UHFFFAOYSA-N 423.299 5.765 0 40 HKAB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1ccccc1C(F)(F)F 9367688 RILCUJJNYJOXLU-UHFFFAOYSA-N 423.847 5.544 0 40 HKAB CCCOc1c(Br)cc(C(=O)Nc2nc3ccccc3s2)cc1OC 9506934 FGYQAZHVXTXBEI-UHFFFAOYSA-N 421.316 5.109 0 40 HKAB CN1C(=O)c2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc2Oc2ccccc21 9827786 PCBNSJSHXIHJMP-UHFFFAOYSA-N 402.494 5.224 0 40 HKAB CC(C)c1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](c1ccco1)C3 10157003 OCIKLHAHPOAWNF-CQSZACIVSA-N 406.873 5.074 0 40 HKAB O=C(Oc1ccc2nc(N3CCCCC3)sc2c1)c1ccc(Cl)cc1Cl 12488739 FQEUKTFTUBJDNP-UHFFFAOYSA-N 407.322 5.813 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2C)cc1 12617525 KJQJZWSJYLIEHI-ISKFKSNPSA-N 404.897 5.899 0 40 HKAB CC(=O)N(c1ccccc1)c1nc(COc2ccc(F)c3c2C(=O)C[C@@H]3C)cs1 12770312 RPBKLAAWBBVOGV-ZDUSSCGKSA-N 410.470 5.236 0 40 HKAB CCc1nc(SCC(=O)c2cc(Cl)sc2Cl)c2oc3ccccc3c2n1 13811424 YOCITVSKBJLWQV-UHFFFAOYSA-N 423.346 6.282 0 40 HKAB Cc1n[nH]c(Sc2nc(CSc3ccccc3)nc3sc4c(c23)CCC4)n1 14075723 OZYNMVWXBZZBJO-UHFFFAOYSA-N 411.581 5.050 0 40 HKAB N=C1NC(=O)S/C1=C\c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 16754185 ZNYJQSOSHHMUQS-PZLPMSIKSA-N 424.529 5.817 0 40 HKAB O=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)NCCc1ccccc1 16848895 DITPZUMYJZDZMP-UHFFFAOYSA-N 409.942 5.008 0 40 HKAB O=C(c1ccccc1)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 18194515 BWRMTZMNENLGBU-SANMLTNESA-N 423.537 6.390 0 40 HKAB CCCCCCOc1ccc(/C=C2/SC(=O)N(CN3CCCCC3)C2=O)cc1 20265833 QZZJPBSNJUHQNE-CAPFRKAQSA-N 402.560 5.125 0 40 HKAB O=C(c1sc2cccc(Cl)c2c1Cl)N1CCN(Cc2ccccc2)CC1 20522533 LQSPVWAQGFKWJX-UHFFFAOYSA-N 405.350 5.166 0 40 HKAB CCCCOc1ccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)c2cccnc12 32622568 HLGCLCMADFTXJS-UHFFFAOYSA-N 402.450 5.081 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc(-c4ccc(Cl)cc4)no3)cc2)cc1 32623132 FCLUODJDTPQIRF-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1cccc(OC(F)(F)F)c1 32908728 BPMHBYWNOSXQCH-UHFFFAOYSA-N 420.412 5.176 0 40 HKAB CC(C)(C)c1ccc(C2=NC3(CCCCC3)N(C(=O)c3cccc(F)c3)C2=S)cc1 45933237 BHDVOMJCVQWOHY-UHFFFAOYSA-N 422.569 6.056 0 40 HKAB CCOc1ccccc1CN1[C@H]2CC[C@@H]1c1cnc3cc(-c4cccc(C)c4)nn3c1C2 57761858 MJWHENKPTXCOQS-XUZZJYLKSA-N 424.548 5.365 0 40 HKAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3Cl)C(=O)[C@H]12 59500400 XBTCSUOTGFAZNH-VUUXHMSQSA-N 413.904 5.301 0 40 HKAB biogenic Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)Cc1ccc(C(F)(F)F)cc1 60331080 LHMFXCMMRRYNKX-HXUWFJFHSA-N 413.443 5.317 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)c1ccccc1-c1ncc(-c2ccccc2)o1 61431544 CIWGSSFPDLSYBR-UHFFFAOYSA-N 409.272 6.568 0 40 HKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cc(C)cc(C)c3)oc12 67295603 NZXGGAOWFMYQOA-RFBIWTDZSA-N 413.477 5.246 0 40 HKAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 71844292 YXDIBPAOFZLIGQ-YADHBBJMSA-N 422.956 6.112 0 40 HKAB CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc2c(c1)NC(=O)CS2 71926773 GKQFTMBCYMECJV-UHFFFAOYSA-N 410.520 5.110 0 40 HKAB CC1CCN(c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)c(Cl)cc2N)CC1 72229427 OCSJYSULIXNFDX-UHFFFAOYSA-N 412.748 5.718 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)N1CCc2sccc2[C@H]1c1ccccc1 84525631 ZHERIWAKBRMTLS-LJQANCHMSA-N 402.441 5.947 0 40 HKAB CCC(=O)N(CC[C@@H](c1ccccc1)[C@H]1CCOC(C)(C)C1)[C@H](C)c1ccccc1 100744490 AKAMYEOOALBFQV-ZODMCCGTSA-N 407.598 6.365 0 40 HKAB C[C@]12CC3CC(C(=O)N4CCN(C56CC7CC(CC(C7)C5)C6)CC4)(C1)C[C@](C)(C3)C2 102634169 YBLRRUWRTXAUNN-UTESYTHRSA-N 410.646 5.096 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccccc2)s1 105550626 KPBAYHSKVMEYSH-UHFFFAOYSA-N 410.351 5.384 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)[C@]2(C)C[C@H]3C=C[C@H]2C3)c1C 112250538 OVRVLNVNNFSXGL-XHNVNVPESA-N 420.557 5.093 0 40 HKAB CCN(CC)CCOc1ccc(/C(=C/c2ccc(Cl)cc2)c2ccccc2)cc1 205479157 KYRNNMBJPGHUBQ-LHLOQNFPSA-N 405.969 6.650 0 40 HKAB in-vitro CC(C)(C)c1ccccc1OCCNC(=O)CC(c1ccccc1)c1ccccc1 223707678 UVBPUBDQMVIVDV-UHFFFAOYSA-N 401.550 5.701 0 40 HKAB Cc1cc(C)cc(OCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 224085695 BDKNUUJOXRECBB-UHFFFAOYSA-N 409.913 5.345 0 40 HKAB Cc1ccc([C@@H](NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)cc1 224360599 JKSCAGYGEXOTPL-LVXARBLLSA-N 401.550 6.100 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccc(Cl)c(C)c1 224542585 KKNKQVWGIASQPR-UHFFFAOYSA-N 413.876 6.018 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 225680002 NVODKCRNTSRMFQ-LJQANCHMSA-N 423.582 5.019 0 40 HKAB C(=C1/c2ccccc2[C@H]2[C@@H]1O[C@@H]1/C(=C\c3ccccc3)c3ccccc3[C@H]12)\c1ccccc1 226323513 QTCLDESTKURNLW-GDMVZSBMSA-N 424.543 7.430 0 40 HKAB CCc1onc(C)c1-c1cccc(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 257330450 XOMHLBOPPUOEAK-UHFFFAOYSA-N 409.917 5.281 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2)cc1 408544042 GRZHRWOMABZGKS-UHFFFAOYSA-N 416.373 6.524 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccc(C)cc2)cc1 408699486 ULOVZWPMSHZEKF-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1ccc(F)cc1 408834330 VWQRMHHJPKULMI-UHFFFAOYSA-N 408.885 6.522 0 40 HKAB O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccccc1Br 826454 VULCPCGPPJHDFP-UHFFFAOYSA-N 411.230 5.649 0 40 HKAB O=C(c1cc(-c2ccc(-c3ccccc3Cl)o2)nc2ccccc12)N1CCCCC1 952559 ZITLSDGIKJPAFR-UHFFFAOYSA-N 416.908 6.441 0 40 HKAB CCC(=O)N(CC[C@H](c1ccco1)c1ccccc1OC)Cc1ccc(OC)cc1 2102932 LKHJEOQXGPJDQN-QFIPXVFZSA-N 407.510 5.258 0 40 HKAB biogenic CCCCCCc1c(C)c2ccc(OCC(=O)c3cccc(OC)c3)cc2oc1=O 2146713 VCAQLIKFPHQPGB-UHFFFAOYSA-N 408.494 5.495 0 40 HKAB biogenic CC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 2422889 ZYCNRCBWLNKCSU-OAHLLOKOSA-N 402.498 5.235 0 40 HKAB O=C(C[C@H](Sc1ccc(Cl)cc1Cl)c1ccccc1)c1ccc(F)cc1 2581562 BRUNTAIFFUFDDK-NRFANRHFSA-N 405.321 7.239 0 40 HKAB COc1cc(NC(=O)CSc2cccc3cccc(Cl)c23)cc(OC)c1OC 2622593 FSRSHVRVHIBUPP-UHFFFAOYSA-N 417.914 5.250 0 40 HKAB Cc1ccc(-c2nc(-c3cccnc3)sc2CC(=O)N2CCc3ccccc32)cc1 2657135 QTFSHNIYELVHRP-UHFFFAOYSA-N 411.530 5.312 0 40 HKAB COc1ccccc1OCC(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 2669801 MDECGUAJMOLVCN-UHFFFAOYSA-N 423.321 5.067 0 40 HKAB CCc1c(C)sc(NC(=O)C(c2ccccc2)c2ccccc2)c1C(=O)OC(C)C 2745175 JQPRSQAVVQHFNF-UHFFFAOYSA-N 421.562 5.955 0 40 HKAB COc1ccc(NCC(=O)Nc2ncc(Cc3cc(Cl)cc(Cl)c3)s2)cc1 2887670 JDSHEKUMXOBNLD-UHFFFAOYSA-N 422.337 5.100 0 40 HKAB CCCCOc1ccc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 3145051 JVXSLUZWMSGZEW-UHFFFAOYSA-N 417.549 6.209 0 40 HKAB O=C(O)c1ccccc1N(Cc1ccc(Br)cc1)C(=O)c1cccs1 3167355 UPEFTSIUISKLNA-UHFFFAOYSA-N 416.296 5.056 0 40 HKAB CCc1cccc(CC)c1NC(=O)COC(=O)c1c(C)c(CC)nc2ccccc12 3286141 BNLPCKMTRMOLFL-UHFFFAOYSA-N 404.510 5.026 0 40 HKAB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)N[C@H]1c1ccc(Cl)cc1 3418742 QSSPJWUENMIMIX-SFHVURJKSA-N 405.281 5.101 0 40 HKAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)Nc1ccccc1Cc1ccccc1 3423564 MJYLORIOCORHCR-UHFFFAOYSA-N 416.524 6.538 0 40 HKAB Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2Oc2ccc(C(C)(C)C)cc2)cc1 4054054 SIBBNQRZABUKLA-UHFFFAOYSA-N 409.551 5.929 0 40 HKAB CCOc1ccc(C(=O)Nc2nc3ccc4nc(SC)sc4c3s2)cc1 4134754 INGZHNPUTFYFHO-UHFFFAOYSA-N 401.538 5.279 0 40 HKAB O=C(Nc1ccccc1)c1oc2ccccc2c1NC(=O)C12CC3CC(CC(C3)C1)C2 4267133 KIPOMDBMHRDELQ-UHFFFAOYSA-N 414.505 5.840 0 40 HKAB CCCC[C@@H]1C=C[C@@H](/C=C/CCCCCCCC(=O)OCC)[C@@H](C(=O)OCC)C1 4409261 NLAFICQBKVFFEV-VVHQIMMASA-N 406.607 6.398 0 40 HKAB Fc1ccc(C2=NN(c3c(F)c(F)cc(F)c3F)[C@H](c3ccc(F)cc3)C2)cc1 4614047 DFEXADISNOGRLS-SFHVURJKSA-N 406.329 5.877 0 40 HKAB CCCCN(C[C@H](O)c1cc2ccccc2o1)C(=O)Nc1cccc(C(F)(F)F)c1 4771809 MLOFZINHHRPJDW-SFHVURJKSA-N 420.431 5.819 0 40 HKAB CC(C)c1ccc(Cc2cn3cc(-c4cc5ccccc5oc4=O)nc3s2)cc1 5020525 GXEYFKBVJPKKJI-UHFFFAOYSA-N 400.503 5.883 0 40 HKAB COc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(C)cc3)=NN21 5164413 RLMIZMYMVOPERF-XUZZJYLKSA-N 404.897 5.899 0 40 HKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 5216211 SZOJQBQVTKBFAL-UHFFFAOYSA-N 415.320 6.496 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3C(F)(F)F)o2)cc1Cl 6234176 LAOWBQSVNCIGPR-PKNBQFBNSA-N 405.803 6.579 0 40 HKAB O=C(Nc1ccccc1)c1ccc(CSc2nnc(Cc3ccccc3)o2)cc1 6543875 GIQMUYZUWNIVPN-UHFFFAOYSA-N 401.491 5.205 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCc3ccc(Cl)cc3)c2n1 6549760 FUQFWFDZJKDSDF-UHFFFAOYSA-N 409.700 5.199 0 40 HKAB COc1ccc(-c2nnc(SCc3c(F)cccc3F)n2-c2ccccc2)cc1 6570942 PTQLWEGJXKFTLY-UHFFFAOYSA-N 409.461 5.513 0 40 HKAB O=c1[nH]c(-c2cn(Cc3cccc4ccccc34)c3ccccc23)nc2ccccc12 6610219 AVHURBPAOYNFCF-UHFFFAOYSA-N 401.469 5.746 0 40 HKAB CCCOc1ccc(-c2nonc2NC(=O)c2ccc(Cl)cc2)cc1OCCC 6811502 VYYMYPLJYMGMIY-UHFFFAOYSA-N 415.877 5.220 0 40 HKAB COc1ccc(CNCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 7538331 RUNMVCCWWBNXMY-UHFFFAOYSA-N 417.936 6.371 0 40 HKAB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)cc1 9467219 SMAATORRTNOZBK-LBPRGKRZSA-N 422.337 5.307 0 40 HKAB COc1ccc(Br)cc1-c1nc(CSc2nc(C)cs2)cs1 9585018 CVRZMDFEPJFHOJ-UHFFFAOYSA-N 413.387 5.638 0 40 HKAB Clc1cccc(Cl)c1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2ncnn21 9805671 LOIXRJYXGNRPOX-HUUCEWRRSA-N 424.129 5.494 0 40 HKAB Nc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](C(F)(F)F)C=C(c1cccs1)N2 12320966 CJKHDVRTYDWDQC-NSHDSACASA-N 421.469 5.757 0 40 HKAB CCC(=O)[C@H]1[C@H](CC)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 12661209 XFFDYWGJZFMHBB-KRIOCMJZSA-N 400.603 6.112 0 40 HKAB biogenic Cc1cc(C)c(NC(=O)c2cccc(OCc3cn4cccc(C)c4n3)c2)c(Cl)c1 12740119 XUJGNNBWNZPJJA-UHFFFAOYSA-N 419.912 5.744 0 40 HKAB O=C(c1sccc1-c1ccccc1)N1CCC[C@H](c2nc3ccccc3s2)C1 14180696 SMVWYGULISBNPP-KRWDZBQOSA-N 404.560 6.045 0 40 HKAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccco1)C(=O)C12CC3CC(CC(C3)C1)C2 14198166 SDSOFXMFTSGDBK-KWJFTMPMSA-N 411.571 5.063 0 40 HKAB O=C(CSc1ncc(-c2cccc(Br)c2)o1)Nc1cccc(Cl)c1 16842109 DJGCQWTXQKRUCB-UHFFFAOYSA-N 423.719 5.488 0 40 HKAB CC1=C(C)[C@@H](NC2CCCCCCCCCCC2)N([C@H](C)CCc2ccccc2)C1=O 20158454 IRXHHOJTUFUDPU-AMGIVPHBSA-N 424.673 6.775 0 40 HKAB CCCCCCNc1ncnc2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 20171131 QOIQJZANVIQDEZ-UHFFFAOYSA-N 423.630 6.101 0 40 HKAB FC(F)(F)c1cnc(NC[C@@H]2CC(c3c(Cl)cccc3Cl)=NO2)c(Cl)c1 20366087 DKMQIEPVBABDPD-VIFPVBQESA-N 424.637 5.666 0 40 HKAB Cc1cc(C(=O)CSc2nc3ccc(Cl)cc3o2)c(C)n1C[C@@H]1CCCO1 22218857 ZMKDLCRSKKSWQN-HNNXBMFYSA-N 404.919 5.054 0 40 HKAB CCc1ccc(N2C[C@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2CCCCC3)cc1 22408552 DBLZYMIKBGPCIU-NDEPHWFRSA-N 411.569 5.566 0 40 HKAB O=C(NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12)c1ccc(Br)cc1 27746949 PUVYZYZKZUPNQQ-FQEVSTJZSA-N 419.322 5.492 0 40 HKAB Cc1cccc(O[C@@H](C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1C 28288036 NUSZYEOHJVVRNC-INIZCTEOSA-N 414.958 5.207 0 40 HKAB CCN(CC)[C@H](CNC(=O)COc1ccc(C)c(C)c1)c1ccc(C(C)(C)C)cc1 28290633 QMUSUQXJBKHAOH-XMMPIXPASA-N 410.602 5.179 0 40 HKAB Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](C)c4ccccc4)c(C)c3cc2c1C 30819218 GRXUZDBUXLFTGW-INIZCTEOSA-N 403.478 5.274 0 40 HKAB O=C(CCN(CCC(=O)c1ccccc1)CCC(=O)c1ccccc1)c1ccccc1 31772661 AZDCRHWRAARDET-UHFFFAOYSA-N 413.517 5.107 0 40 HKAB CCCCOc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)c2ccccc12 31904027 ZOPUUQKEGSRLHU-UHFFFAOYSA-N 408.523 5.222 0 40 HKAB Cc1ccc(NC(=O)Nc2nn(Cc3ccccc3F)cc2Br)c(C)c1 32609983 MPRLEQGPMDEXIQ-UHFFFAOYSA-N 417.282 5.094 0 40 HKAB Cc1ccc2c(CC(=O)Nc3ccc(OC(F)F)cc3OC(F)F)coc2c1C 36396926 LRAYTDNLWILZMN-UHFFFAOYSA-N 411.351 5.434 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38853468 INPSPBOLRMRFCM-UHFFFAOYSA-N 415.723 5.637 0 40 HKAB Cc1ccccc1CN1CCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 39744125 CWMQEIXMPGVWNS-UHFFFAOYSA-N 411.760 5.806 0 40 HKAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(Nc3ccccc3)cc2)c1 40017138 SIIQAHVQGPFSND-UHFFFAOYSA-N 415.522 5.298 0 40 HKAB COc1ccccc1-c1ccccc1C(=O)NCc1csc(Br)c1 40134176 WKMHNULJHWAOCA-UHFFFAOYSA-N 402.313 5.116 0 40 HKAB O=C(Nc1ccc2[nH]c3ccccc3c2c1)c1ccc(I)cc1 44781705 VEJYDLGANZTCDY-UHFFFAOYSA-N 412.230 5.178 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cccc(OC)c1 49005091 MOXGBNBFNJWXFI-SFHVURJKSA-N 404.514 5.095 0 40 HKAB COc1ccc(CCNCc2cc3sccc3n2Cc2ccc(F)cc2)cc1OC 57710089 ZYXCYCHXCSXEJX-UHFFFAOYSA-N 424.541 5.240 0 40 HKAB C[C@@H](C(=O)Nc1ccc(OC2CCCC2)cc1)n1c(-c2cccs2)n[nH]c1=S 62580244 AYPDBPAAJWQRBS-ZDUSSCGKSA-N 414.556 5.190 0 40 HKAB Cc1nc(-c2ccc(NC(=O)c3c(Br)c4ccccc4n3C)cc2)oc1C 65104383 ILZRZBMPWBAYLW-UHFFFAOYSA-N 424.298 5.465 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(N(C)c3ccccc3)nc2)cc1 72214236 BIGDVMCGQUZDPS-HSZRJFAPSA-N 421.566 5.074 0 40 HKAB O=C(c1ccccc1Br)N1CCC(COCc2ccc(Cl)cc2)CC1 77191578 IEYCAJOEZGDMNZ-UHFFFAOYSA-N 422.750 5.172 0 40 HKAB Brc1ccc(-c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)cc1 80346411 ZCIXDIIRVWZTGU-UHFFFAOYSA-N 415.360 5.083 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc(Oc2cccc3ccccc23)cc1 102077971 SPTVJIIIABZJFG-AJKYEQNVSA-N 407.469 5.190 0 40 HKAB Cc1c(-c2ccccc2)cc(-c2ccccc2)c2c1-c1ccccc1[C@H]2c1ccccc1 104140237 QDHNWEUICOBIFG-WJOKGBTCSA-N 408.544 8.490 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2cccc(Nc3nc(C)cc(C)n3)c2)cc1 170580223 YPLBPJOOMVTYQC-UHFFFAOYSA-N 418.497 5.046 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2ccc(C)cc2)no1 219353986 XGSBXOZOMFPXOZ-QFIPXVFZSA-N 415.493 5.014 0 40 HKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1 223751510 RAHMTXNAMIHSDV-GOTSBHOMSA-N 418.566 5.021 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1COC(C)C 224716631 FBNRMLRXALQVPP-UHFFFAOYSA-N 416.732 6.223 0 40 HKAB CC(=O)Nc1cccc(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)c1 225269007 UPMAJFRWWQMDJC-UHFFFAOYSA-N 404.857 5.094 0 40 HKAB Fc1cc(Br)ccc1NC(=S)NCCSc1ccc(Cl)cc1 225288276 XHGJEEKNTRDZDX-UHFFFAOYSA-N 419.772 5.320 0 40 HKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NC1CCCCC1 225370409 SWFCUEYEPAGFBY-UHFFFAOYSA-N 419.352 5.627 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)c2ccccc12 225682645 JUAPLKLUMKAMHE-UHFFFAOYSA-N 405.513 6.464 0 40 HKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3cccc(Cl)c3Cl)n2)cc1 225835900 HLLLBAVPRUZUAJ-UHFFFAOYSA-N 404.297 5.738 0 40 HKAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COCCOc1ccc(C(C)(C)CC(C)(C)C)cc1 226069712 LZMSFENOCCKTTA-FUPPJEDESA-N 419.650 5.420 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccc(C)c(Cl)c2)c1 408697219 GFINFAUFQQWKPF-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2ccccc2)cc1-c1cccc2ccccc12 408724163 GSOSIGCAIVHHGG-UHFFFAOYSA-N 403.485 6.253 0 40 HKAB CCc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 409099827 UIVJEXCBGYHFGP-UHFFFAOYSA-N 421.353 5.176 0 40 HKAB Cc1cccc(NC(=O)COc2ccc(Cl)cc2CNc2ccccc2Cl)c1 409179132 NIYVKILYKKAXBS-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB COc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 409191075 ZJAYBLLSCROHPH-OQLLNIDSSA-N 424.703 5.352 0 40 HKAB CC[C@H](C)N1C(=O)S/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)C1=O 409252468 RZCWJECDURBKIJ-MNAFEPAFSA-N 408.498 5.664 0 40 HKAB CC(C)CC(=O)N1CCCCCCCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)Cc2ccccc21 643553320 LGTFOYSRKZFOLA-QXSURTEESA-N 424.629 5.795 0 40 HKAB Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)sc2nc3c(cc12)CCCCC3 663240 ONMPNPCNJGSQMJ-UHFFFAOYSA-N 421.444 5.298 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1Br 682515 HBQRIRCKTGMKSK-UHFFFAOYSA-N 423.919 5.771 0 40 HKAB COc1ccc(C(=O)c2sc3nc4c(c(-c5ccc(C)o5)c3c2N)CCCC4)cc1 704143 DFBCNRXKEOYWAK-UHFFFAOYSA-N 418.518 5.565 0 40 HKAB O=C(O)c1nc(NC[C@H]2c3ccccc3CSc3ccccc32)c2ccccc2n1 722210 ITKIBTKOQKQUMW-IBGZPJMESA-N 413.502 5.178 0 40 HKAB O=C(c1ccco1)N(CCc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 932773 KLANSPVPNWAZJM-UHFFFAOYSA-N 408.910 5.946 0 40 HKAB Cc1ccc(Oc2coc3cc(OCC(=O)OC4CCCCC4)ccc3c2=O)cc1 954161 GCNBPAYCZZGUNK-UHFFFAOYSA-N 408.450 5.148 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3cccc4c3-c3ccccc3C4=O)n2)cc1 988098 LJYGDSOCPFCNJU-UHFFFAOYSA-N 412.470 5.282 0 40 HKAB CCOC(=O)c1ccc(N2COc3ccc4cc(Br)ccc4c3C2)cc1 1310382 BZYROFJBIUSQJV-UHFFFAOYSA-N 412.283 5.136 0 40 HKAB CC1CCN(C(=O)CSc2nc(C3CC3)nc3sc4c(c23)CC[C@@H](C)C4)CC1 1377335 LDEKQRFQVJBBNN-CQSZACIVSA-N 415.628 5.044 0 40 HKAB Cc1nn(C)c(C)c1Cc1ccc(OC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 1390933 JTRXXZDHLVCVPH-UHFFFAOYSA-N 419.403 5.137 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)cc(-c3nc4ccc(Cl)cc4o3)c2)cc1 1413980 HKQAHEDWVAKTRL-UHFFFAOYSA-N 406.869 6.108 0 40 HKAB O=C(C[C@H](c1ccccc1)[C@@H](C(=O)O)c1ccc(Br)cc1)c1ccccc1 1581039 NPAYRKZRMQPFGG-IRLDBZIGSA-N 423.306 5.674 0 40 HKAB CCCCCCc1cc2cc(-c3cn4c(n3)sc3ccccc34)c(=O)oc2cc1O 1862464 KBGBYBXZSALCJS-UHFFFAOYSA-N 418.518 6.151 0 40 HKAB CC[C@@H](C(=O)Nc1cc(C(=O)Nc2ccc(OC)cc2)ccc1Cl)c1ccccc1 2073525 KUHQSXIRGRPSJL-HXUWFJFHSA-N 422.912 5.733 0 40 HKAB CCCOc1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)c3ccccc3n2)cc1 2256433 DLYVPUCNCBKDEW-UHFFFAOYSA-N 424.331 7.136 0 40 HKAB COc1ccc(OC)c([C@@H](Nc2ccccc2)P(=O)(OC(C)C)OC(C)C)c1 2276475 QUUJCYCJKQGYDU-NRFANRHFSA-N 407.447 5.858 0 40 HKAB CCC(=O)c1c(-c2ccc(OC)cc2)c2c3n(c(-c4ccc(C)cc4)cn13)CCCC2 2413795 ACJQRVJLFUOATF-UHFFFAOYSA-N 412.533 6.321 0 40 HKAB CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)nc(NC[C@H]4CCCO4)c23)CO1 2428832 AKYUMCJGGKVLND-XCLFUZPHSA-N 407.605 5.024 0 40 HKAB N=C(COc1ccc(Cl)cc1Cl)NNc1ncc(C(F)(F)F)cc1Cl 2557488 BHZGMBDAKNWMNN-UHFFFAOYSA-N 413.614 5.033 0 40 HKAB Cc1cccc(C)c1NC(=O)c1sccc1SCc1cccc(C(F)(F)F)c1 3104165 UMCWPYGKZKECIB-UHFFFAOYSA-N 421.509 6.928 0 40 HKAB Clc1ccc(-c2csc(Cc3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 3182206 HKHPDWMNAGZGKA-UHFFFAOYSA-N 403.359 6.831 0 40 HKAB Cc1ccc(C(=O)Nc2cc(C(=O)NCCc3ccccc3)ccc2Cl)cc1C 4659841 LTMYUXFIISLZAJ-UHFFFAOYSA-N 406.913 5.182 0 40 HKAB O=C(COc1ccc2ccccc2c1)Nc1ccc(C(=O)Nc2ccc(F)cc2)cc1 4666555 VVJYFPHMTOPMMC-UHFFFAOYSA-N 414.436 5.249 0 40 HKAB O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2Cl)n1-c1ccc(O)cc1 4934631 XCWWWNSXLDTNAO-WUXMJOGZSA-N 409.272 5.569 0 40 HKAB CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1cccnc1 5029934 OZRYRKXAPXRBHS-HLADLETHSA-N 423.497 5.535 0 40 HKAB Cc1ccc(C(=O)[C@H](Sc2nnc(-c3ccccc3)n2C)c2ccc(C)cc2)cc1 6077237 WNJXRVUNERHIFR-HSZRJFAPSA-N 413.546 5.815 0 40 HKAB O=C(Nc1nc2c(s1)CSc1ccccc1-2)c1ccccc1Br 6344879 FUOLWIFLGGAQRJ-UHFFFAOYSA-N 403.326 5.431 0 40 HKAB O=C(Nc1cccc(C(=O)OCc2ccc(Cl)cc2Cl)c1)c1ccccc1 6529178 RMLILQYPBFSJLE-UHFFFAOYSA-N 400.261 5.603 0 40 HKAB O=C(Nc1cccc(C(=O)OCC(=O)c2cccc3ccccc23)c1)c1ccccc1 6595386 JXSKQRPLQDOHOD-UHFFFAOYSA-N 409.441 5.132 0 40 HKAB O=C(c1ccc(Br)cc1)N(Cc1ccc(Cl)cc1)Cc1ccco1 6810567 VGYHFCBMKHHDFY-UHFFFAOYSA-N 404.691 5.538 0 40 HKAB Nc1c(Cl)cc2oc(-c3cccc4c(Br)cccc34)nc2c1Cl 6926792 QXNIIVQAPLREMT-UHFFFAOYSA-N 408.082 6.300 0 40 HKAB O=C(/C=C/c1ccc(OC(F)F)cc1)N1CCC(c2nc3ccccc3s2)CC1 7644995 IIVUWHQHDNQGEQ-JXMROGBWSA-N 414.477 5.317 0 40 HKAB COc1ccc(NC(=O)c2ccco2)c(NC(=O)c2ccc(Cl)cc2Cl)c1 8189992 FAVYAMKQGPOFQJ-UHFFFAOYSA-N 405.237 5.100 0 40 HKAB COc1cc(CNCc2ccccc2Cl)cc(Cl)c1OCc1cccs1 8470617 REFXTMYIUMJLOY-UHFFFAOYSA-N 408.350 5.932 0 40 HKAB C[C@@H](NCc1cccc(OCc2ccccc2Cl)c1)C12CC3CC(CC(C3)C1)C2 8534879 GUHRWVDMEPPEAT-VIAIDJOKSA-N 410.001 6.614 0 40 HKAB COc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(C)cc1 8550153 PKAQCBQAMBZMAX-ODCRROIESA-N 419.609 6.277 0 40 HKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1C 9251037 SMCXXMSGCGCJOT-QGZVFWFLSA-N 402.519 5.986 0 40 HKAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cc(F)ccc3F)c12 9266597 BBJYRURXICCJLZ-UHFFFAOYSA-N 404.420 5.137 0 40 HKAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3cc(Cl)ccc3C)cs2)cc1 9625418 YGKCPCQRFZWRAA-UHFFFAOYSA-N 414.918 5.239 0 40 HKAB O=c1c2sc3ccccc3c2n(Cc2ccccc2)c(=O)n1-c1cccc(Cl)c1 9959790 HNHGFHJRGJJICL-UHFFFAOYSA-N 418.905 5.069 0 40 HKAB CCSc1ccc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)cc1 10748878 LMTOBCBZZYZJCJ-UHFFFAOYSA-N 410.520 5.929 0 40 HKAB Cc1cc(C)cc(NC(=O)c2nnn(-c3ccc4noc(-c5ccccc5)c4c3)c2C)c1 11689933 IFNCYLLOAOSOTG-UHFFFAOYSA-N 423.476 5.253 0 40 HKAB Cc1ccccc1Nc1nc(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2)s1 11915388 XHTBIEKQKRCTQV-UHFFFAOYSA-N 419.937 6.768 0 40 HKAB CCc1ccc(Nc2nn(CN(C)Cc3cccc(Cl)c3)c(=S)s2)cc1 13071920 CTLAZHHNNWVKEC-UHFFFAOYSA-N 404.992 5.723 0 40 HKAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2Cl)n2c(nc3ccccc32)N1 13635037 ZDQSACUNWVEFMN-IBGZPJMESA-N 416.308 5.584 0 40 HKAB CCCCn1nc(C)c2c(C(=O)Nc3ccc(Br)cc3F)cc(C)nc21 13961175 ZXVMITDLONTSPU-UHFFFAOYSA-N 419.298 5.002 0 40 HKAB COc1cc(C(=O)Nc2ccc(-c3cc4ccccc4o3)cc2)cc(OC)c1OC 14241393 GMGVMGBMEGVGMX-UHFFFAOYSA-N 403.434 5.378 0 40 HKAB O=C(CSCc1ccc(C(F)(F)F)cc1)Nc1ccccc1Br 15496795 QJDWKNLITPWXLC-UHFFFAOYSA-N 404.251 5.340 0 40 HKAB Cc1cc(C)c(NC(=O)Cn2c(-c3nnc(C(C)C)o3)cc3ccccc32)c(C)c1 15729629 NANRHWZMKNHEQF-UHFFFAOYSA-N 402.498 5.379 0 40 HKAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 17089489 ORYFFMJLWBDGAC-UHFFFAOYSA-N 413.329 6.451 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1cccnc1Cl 17091645 ZGWMESYMPQABBO-UHFFFAOYSA-N 418.667 6.102 0 40 HKAB O=C1N(C2CCCCC2)[C@@H](/C=C\c2ccccc2)C1(c1ccccc1)c1ccccc1 17141759 QIYGYEUUHVKTEQ-ICDQAVPKSA-N 407.557 6.230 0 40 HKAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccccc2Cl)cc1OCC 20451568 YYQYEPUMHXDFKP-CRAIPNDOSA-N 405.922 5.172 0 40 HKAB O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)c1cccc2ccccc12 20951408 KMQWRYJANKHKHO-RUZDIDTESA-N 412.558 5.431 0 40 HKAB CC(C)c1n[nH]c(SCC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)n1 21178830 WMOPNHUHWSYOJP-UHFFFAOYSA-N 409.559 5.205 0 40 HKAB COc1cccc(Cn2nc(C)c(NC(=O)c3ccc(Cl)c(Cl)c3)c2C)c1 32610109 BYSRCZAPEMKCFH-UHFFFAOYSA-N 404.297 5.116 0 40 HKAB Cc1ccccc1CSc1nnc(NC(=O)c2c(C)noc2-c2ccccc2)s1 35671467 QMFVDXUEMAAOAO-UHFFFAOYSA-N 422.535 5.355 0 40 HKAB O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1Cc1ccc(Cl)cc1 40397254 OHUDWJMNPIXSNW-UHFFFAOYSA-N 421.287 5.066 0 40 HKAB Cc1nn2c(ncc3c(=O)n([C@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40397633 FMEXSMHYIDVGJE-SIFCLUCFSA-N 420.944 5.670 0 40 HKAB Cc1nc(CNC(=O)Nc2cccc(OC(F)F)c2)oc1-c1ccc(Cl)cc1 79073082 NFDJEWOJHXAZLC-UHFFFAOYSA-N 407.804 5.227 0 40 HKAB CC(C)(C)OC(=O)N1CCC[C@H](Nc2nc3ccccc3n2Cc2ccc(F)cc2)C1 90558317 DOTWOTWDKIYEPT-IBGZPJMESA-N 424.520 5.035 0 40 HKAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCCc1cn(C)c2ccccc12 96221794 RVGZMRURCAZOKC-HSZRJFAPSA-N 415.537 5.185 0 40 HKAB biogenic C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O 96589834 SDMJLNKNFXHQRB-UYAOXDASSA-N 400.478 5.027 0 40 HKAB COc1ccc([C@@]23C(=C(c4ccccc4)c4ccccc4)[C@H]4C[C@@H]2[C@@]3(C)C4(C)C)cc1 100366002 BPROIXCAMGDCTI-QAQXJPMASA-N 406.569 7.131 0 40 HKAB Brc1ccc([C@@H]2C[C@@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 101073408 CJUVNNNQOLCEKM-FPOVZHCZSA-N 404.311 5.945 0 40 HKAB O=C(c1ccc(Br)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 101475550 CMWUIULMDIUGCK-UHFFFAOYSA-N 403.038 5.100 0 40 HKAB CC(C)(CC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(=O)Nc1cccnc1 199410906 DVKBPPKYEMTUAU-UHFFFAOYSA-N 403.482 5.258 0 40 HKAB Cc1nc(-c2ccccc2NC(=O)c2ccc3noc(-c4ccccc4)c3c2)cs1 208009340 PNXMTVCDWIQKOW-UHFFFAOYSA-N 411.486 6.179 0 40 HKAB O=C(CSC1CCCC1)Nc1ccccc1-c1csc(-c2ccccc2F)n1 208010963 LHFGQQKWSSCHDR-UHFFFAOYSA-N 412.555 6.231 0 40 HKAB CC[C@H](NS(=O)(=O)c1ccc2cc(OC)ccc2c1)c1ccc2c(c1)CCCC2 223138050 IOUZNVBVSGQRRF-DEOSSOPVSA-N 409.551 5.157 0 40 HKAB CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1cc(Cl)ccc1O 224875804 OJEFTQCRGTWELC-WOJBJXKFSA-N 412.946 5.000 0 40 HKAB CCc1nc2ccc(NC(=S)NC(c3ccccc3)c3ccccc3)cc2s1 225208154 XVCWWQMJKZEGQS-UHFFFAOYSA-N 403.576 5.935 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)c2ccccc12 225679534 OJZYCGDWDRRZNZ-HXUWFJFHSA-N 401.550 6.776 0 40 HKAB CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225734794 WBKAZQBLMDNYLQ-OTPAQWSUSA-N 418.622 5.213 0 40 HKAB CCC(=O)N[C@@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2ccc(NC(C)=O)cc2)C1 257268145 MKKRNZKILGBYMY-FUPPJEDESA-N 414.933 5.176 0 40 HKAB CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260812522 DXZVBTNARMVXHV-SQJMNOBHSA-N 418.622 5.501 0 40 HKAB CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 408709130 XXFOMAVTHPYMPM-KLHKWILBSA-N 424.507 5.170 0 40 HKAB COc1ccccc1N1C(=O)S/C(=C\c2ccccc2OCc2ccccc2)C1=O 409058971 PZFLIGFEUHHAAH-JCMHNJIXSA-N 417.486 5.515 0 40 HKAB Cc1ccc([C@H](Sc2ccccc2)[C@@H](Cn2cncn2)C(=O)c2ccccc2)cc1 630079 WDHFAGNQZSUSBQ-ZCYQVOJMSA-N 413.546 5.619 0 40 HKAB C[C@@H](NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)c1ccccc1 650800 DTDNSFZMSVCWOB-CQSZACIVSA-N 417.456 5.132 0 40 HKAB COc1ccc(-c2cc(-c3cccs3)nc3sc(C(=O)NC(C)C)c(N)c23)cc1 658909 XVJYGOKDHURNAD-UHFFFAOYSA-N 423.563 5.421 0 40 HKAB COc1ccc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c(OC)c1 673097 BZJIWNWQGCAKED-UHFFFAOYSA-N 424.909 5.886 0 40 HKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc(I)c1 830130 YVOQHSXRFQGQJY-UHFFFAOYSA-N 411.242 5.115 0 40 HKAB CC(C)c1ccc(N2C(=O)C[C@]2(/C=C/c2ccccc2)C(=O)NC2CCCCC2)cc1 1378792 JUQUYSGBDNWPFT-YJUNHESCSA-N 416.565 5.448 0 40 HKAB O=C(Nc1ccccc1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1646525 NXEKWZFAEOAXPP-UHFFFAOYSA-N 419.906 7.218 0 40 HKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4OC)cc3n2)cc1 1861050 XDNDRNTZKPJTQT-UHFFFAOYSA-N 414.509 5.332 0 40 HKAB C=Cc1ccc(COc2ccc3c(=O)c(-c4ccc(OC)c(OC)c4)coc3c2)cc1 2096604 CEHQDWKUXMPOFE-UHFFFAOYSA-N 414.457 5.699 0 40 HKAB biogenic Brc1ccc([C@H]2C=C(c3cccnc3)Nc3nc4ccccc4n32)cc1 2499994 WJSHSHKVOMICFC-HXUWFJFHSA-N 403.283 5.250 0 40 HKAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3cc(C)n(C)c3C)c3ccccc3n2)cc1 2626901 TZUMWALQESVNST-UHFFFAOYSA-N 412.489 5.205 0 40 HKAB Cc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc4c(cc32)OCO4)cc1 2688851 SCRDYEPDBLETIZ-UHFFFAOYSA-N 411.436 5.428 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2cccc(Cl)c2)cc1 2763596 LQDCFRKWICKPPH-UHFFFAOYSA-N 415.276 5.507 0 40 HKAB CCO[P@@](=O)(C(NC(=O)c1ccccc1Cl)=C(Cl)Cl)c1ccccc1 3137493 VMAVKJVESZOFOO-RUZDIDTESA-N 418.644 5.314 0 40 HKAB CC(C)c1ccc(C(F)(F)F)cc1OCC(=O)Nc1ccc(SC(F)F)cc1 3236238 MXYGMJLZTOZDCV-UHFFFAOYSA-N 419.415 6.161 0 40 HKAB Cn1c(-c2ccccc2)c(C(=O)CSc2nc3ccccc3s2)c2ccccc21 3321968 WOMUDLCUQSCXIV-UHFFFAOYSA-N 414.555 6.430 0 40 HKAB C[C@H]1C[C@@H](N(Nc2ccccc2)c2ccccc2)N(c2ccccc2)N1c1ccccc1 4018048 HJMYOEFFGHWXHF-FIPFOOKPSA-N 420.560 6.567 0 40 HKAB CCCCSc1nnc(CNC(=O)c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 4059336 WUMVXIAOSBTBMX-UHFFFAOYSA-N 422.598 5.387 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(C(=O)OC)cc2)N3)C1 4553675 FFUOGLCWHCGOJY-HNAYVOBHSA-N 412.555 5.505 0 40 HKAB COc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3ccc(Cl)cc3)c3ccccc32)cc1 4601036 RTFXUKXUBCSQOZ-SANMLTNESA-N 419.952 6.484 0 40 HKAB Brc1ccccc1-c1nnc2sc(-c3cccc4ccccc34)nn12 4665000 OPWWASWDIBJGDY-UHFFFAOYSA-N 407.296 5.436 0 40 HKAB O=C(CCCC(=O)NC1CCCCCCCCCCC1)NCc1ccc(F)cc1 4680620 DYJATZCVLKOACC-UHFFFAOYSA-N 404.570 5.402 0 40 HKAB CCOC(=O)c1c(NC(=O)CN2CCCCCC2)sc(Cl)c1-c1ccccc1 4931729 GGWSVUMUFJKUGO-UHFFFAOYSA-N 420.962 5.060 0 40 HKAB O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@H](c2ccc(Cl)cc2)N1c1ccccc1 4936050 NGQDIDBSBLGUJW-QFIPXVFZSA-N 403.844 5.619 0 40 HKAB Cc1cc(C)c(-c2csc(NC(=O)c3cccc(Br)c3)n2)c(C)c1 4982836 JYPHHSJGGPPNSP-UHFFFAOYSA-N 401.329 5.750 0 40 HKAB CCN(CC)c1ccc2c(c1)OC(=O)[C@@H]1[C@@H](c3ccccc3)[C@@H](/C=C/c3ccccc3)[C@@H]21 5247185 RKLFVJNLWODOCW-ZDXOWFEHSA-N 423.556 6.279 0 40 HKAB Cc1cc2nc(N3CCN(C(=O)c4cccc5ccccc45)CC3)sc2cc1C 5299349 QSNOLFWHFLRSRW-UHFFFAOYSA-N 401.535 5.029 0 40 HKAB COc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccccc2)cc1 5347871 DUVGXXXYKHMEGC-UHFFFAOYSA-N 405.837 5.374 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 5754557 VEJLJRLUJREVRT-PXRHCINRSA-N 411.325 5.089 0 40 HKAB CCOc1cc(CNc2ccccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 6630750 PUXYSUUBCAVVMG-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB C[C@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)Nc1ccc(Cl)cc1F 7172653 UDGUUDSLCHKYLU-ZDUSSCGKSA-N 413.832 5.036 0 40 HKAB COc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 7525184 ZTOWRZXZFRZVHH-UHFFFAOYSA-N 416.348 6.179 0 40 HKAB O=C(Oc1ccc2ccccc2c1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 7928797 VLQTWJMFOVVRQL-OAHLLOKOSA-N 400.261 5.105 0 40 HKAB COc1ccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3ccc(C)cc3)oc2c1 8024026 YXOQOCFAEZGNQZ-IZHYLOQSSA-N 419.502 5.123 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(Cl)c3C)c2)cc1 8289330 SLIPWFNJTBKKES-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB COc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)cc1 8367667 UPKZSAPLNMDJPT-UHFFFAOYSA-N 408.461 5.143 0 40 HKAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1N(c1ccccc1)c1ccccc1 8916768 MKCCCDPJWVDPGM-JIPXPUAJSA-N 404.513 6.741 0 40 HKAB Fc1cccc(Cl)c1[C@H]1C=C(c2ccc(-c3ccccc3)cc2)N=C2NN=NN21 9332022 PBTDENFBDMNCEK-HXUWFJFHSA-N 403.848 5.785 0 40 HKAB CC(C)[C@H](NCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1nc2ccccc2[nH]1 9546057 HDUVZRMGUIWTSN-SFHVURJKSA-N 424.854 5.161 0 40 HKAB Clc1cccc(Cl)c1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2ncnn21 9805670 LOIXRJYXGNRPOX-CABCVRRESA-N 424.129 5.494 0 40 HKAB CCCOc1cc(Nc2ccc(NC(=O)Nc3ccc(C)c(F)c3)cc2)nc(C)n1 12225916 VDIVLLOMEYWWDD-UHFFFAOYSA-N 409.465 5.409 0 40 HKAB Cn1c(SCc2nc(-c3ccc(F)cc3)no2)nnc1-c1ccc(C(C)(C)C)cc1 12551317 DKLUKLBDTSSCDT-UHFFFAOYSA-N 423.517 5.261 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)[C@@H]1CCCN(C(=O)c2ccco2)C1 14252932 HZYUVVGDSGUNMB-MRXNPFEDSA-N 424.884 5.216 0 40 HKAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c(OC)c1OC 15016731 OYTRLFILHQEVSF-UZUQRXQVSA-N 422.506 5.016 0 40 HKAB Fc1ccccc1COc1ccc2ccccc2c1CNCc1ccccc1Cl 16526001 FPMNPPJENJCYTL-UHFFFAOYSA-N 405.900 6.501 0 40 HKAB CN(Cc1ccccc1)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 16768291 CZYMRROEMBFZOF-UHFFFAOYSA-N 424.935 6.377 0 40 HKAB O=C(N[C@H](C[C@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1)C1CCC1 19400909 RJASJPPNRNWZKT-FYYLOGMGSA-N 411.977 5.137 0 40 HKAB COc1ccc(-c2[nH]c3ncccc3c2CN(C)[C@H](C)c2ccc(OC)cc2)cc1 19458720 PTNJDUAQPBGEBW-QGZVFWFLSA-N 401.510 5.440 0 40 HKAB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(F)cc3)Cc3ccco3)no2)cc1C 21524258 QQJNCZTVZSNLJV-UHFFFAOYSA-N 404.441 5.533 0 40 HKAB COc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccccc1F 22074567 JAUHWEUMOMPSLW-UHFFFAOYSA-N 417.883 5.538 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3oc4c(F)cccc4c3C)n2)cc1OC 23258707 MWELOOFBYMFSAV-UHFFFAOYSA-N 412.442 5.273 0 40 HKAB Cc1cccc(C)c1OCC(=O)NC[C@@H](c1ccccc1Cl)N1CCCCCC1 27664525 IGNVMYKXEJOSQN-QFIPXVFZSA-N 414.977 5.069 0 40 HKAB COc1ccccc1/C=C1/CCC[C@H]2C1=NN(C(=O)C1CC1)[C@@H]2c1ccccc1OC 33676444 LDBGZTMDCAXTSF-WLVWZVTPSA-N 416.521 5.237 0 40 HKAB Clc1cccc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)c1Cl 35253406 KHNAVGGUFQJTDB-OWBHPGMISA-N 422.340 7.068 0 40 HKAB O=C(c1cnc2ccc(F)cc2c1Nc1ccc(F)c(Cl)c1)N1CCCCC1 35478589 KBRQQPRIEXMGRF-UHFFFAOYSA-N 401.844 5.536 0 40 HKAB Cc1ccc([C@@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)c(C)c1 36616195 BHUIRZZAXKFGAR-QGZVFWFLSA-N 416.500 5.284 0 40 HKAB COc1ccccc1CN(CCCn1ccnc1)Cc1cccc(Cl)c1Cl 43277801 FSGAYRZEVNDSHK-UHFFFAOYSA-N 404.341 5.291 0 40 HKAB O=c1[nH]c(CN(Cc2ccco2)Cc2ccco2)nc2sc(-c3ccccc3)cc12 57611540 TXLBKOKVICLMGX-UHFFFAOYSA-N 417.490 5.040 0 40 HKAB Cc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)c1 72349673 QJTMCYZDJNDJAS-JOCHJYFZSA-N 423.560 5.411 0 40 HKAB Cc1cc(C)c(N2C(=O)[C@H]3[C@H](c4ccccc4)C=C[C@@H](c4ccccc4)[C@H]3C2=O)c(C)c1 136546857 DFQXSXPRPJMBGK-ASDGIDEWSA-N 421.540 5.855 0 40 HKAB CCC1(CC)C[C@H](NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)c2ccccc2O1 222824397 ZSJCOOJCDFLXSZ-DEOSSOPVSA-N 420.597 5.406 0 40 HKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 222935205 PGFBGLCKHYJJIB-WMZHIEFXSA-N 419.565 5.676 0 40 HKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C(C)C 223380274 IJXLFLXSQVIMAQ-DHIUTWEWSA-N 404.583 5.254 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1Cc1ccccc1 223398927 YYKXLOWYOBDFQN-BJKOFHAPSA-N 411.530 5.514 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccc(Cl)cc1 224497994 BCBFDMLTAZXKLP-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3ccc(OC)cc3)c2)cc1 224600102 SVZLKIZEHMAQBF-UHFFFAOYSA-N 421.493 5.324 0 40 HKAB CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 225060347 VAYGSLGPIMENHE-UHFFFAOYSA-N 413.848 5.727 0 40 HKAB COC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)ccc1OC 225751943 KVVPLHKBALAMBQ-UHFFFAOYSA-N 422.308 5.239 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)c2ccccc12 225760628 AKSPYNAFBPDSKB-UHFFFAOYSA-N 415.577 7.168 0 40 HKAB Cc1ccn2cc(C(=O)N3CCC[C@H](c4cc(-c5ccccc5)cc(C)n4)C3)nc2c1 257341139 ZIZJHSXJAWVUII-NRFANRHFSA-N 410.521 5.033 0 40 HKAB CCCOc1c(Cl)cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC 408557076 LYDFCOYQQYTNHR-LJQANCHMSA-N 412.338 5.569 0 40 HKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Br)c(Cl)c1 408705810 NVJNYZIIOZFVSE-GFCCVEGCSA-N 410.739 5.806 0 40 HKAB CCOc1ccc2ccccc2c1/C=C1\S[C](Nc2cc(C)ccc2OC)NC1=O 408813491 OCJNFNVLWUZQKE-UHFFFAOYSA-N 419.526 5.319 0 40 HKAB Cc1ccc(COc2ccc(Br)cc2CNc2cccc(C)c2C)cc1 409116219 OUBCDLWDTWEVCR-UHFFFAOYSA-N 410.355 6.565 0 40 HKAB Cc1ccc(OCc2nc(N3CCC[C@@H]3c3ccc(Cl)cc3)ncc2C(=O)O)cc1 585267314 KCBVZXLGCOXSLW-OAQYLSRUSA-N 423.900 5.057 0 40 HKAB O=C(Nc1ccc(F)cc1F)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 661466 LVJAZNJGOQANPH-UHFFFAOYSA-N 420.459 5.123 0 40 HKAB Nc1ccc2nc(SCC(=O)N3c4ccccc4CCc4ccccc43)sc2c1 694029 KDQLOBGPHLWMBN-UHFFFAOYSA-N 417.559 5.434 0 40 HKAB CCOC(=O)c1sc2nc(C(C)C)c3c(c2c1NC(=O)c1ccccc1)CCCC3 1251466 QUEVIWUKWFZPBX-UHFFFAOYSA-N 422.550 5.728 0 40 HKAB CCC(=O)Nc1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2CC)cc1C 1340033 IGAPXMXWSPZNAE-UHFFFAOYSA-N 421.566 5.493 0 40 HKAB CCOc1ccc(C(=O)N2CCC[C@H](c3nc(-c4ccc(C(C)C)cc4)no3)C2)cc1 1360062 AJCDZPLMSLINFJ-NRFANRHFSA-N 419.525 5.279 0 40 HKAB O=c1sc2ccccc2n1CCSCCn1c(=S)sc2ccccc21 1725275 GHTAQMSLLDZQKF-UHFFFAOYSA-N 404.607 5.242 0 40 HKAB Cc1ccc(OCCCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 1773419 QVSOEMFMLVASFD-UHFFFAOYSA-N 416.546 6.378 0 40 HKAB Cc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3ccc(Cl)c(Cl)c3)c1-2 1803963 OSHYTZGMFSFFPB-PYCFMQQDSA-N 407.391 6.985 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)ccc21 2069493 CMHZBPDMLCRDMZ-UHFFFAOYSA-N 406.485 6.859 0 40 HKAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)c(C)c1 2069724 NKIQNWAFCGBPBL-UHFFFAOYSA-N 420.512 6.475 0 40 HKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 2086042 FIBQLRNMWPHNOO-UHFFFAOYSA-N 406.231 6.118 0 40 HKAB Cc1cc(C(=O)CSc2nnc(Nc3ccccc3)s2)c(C)n1Cc1ccco1 2626833 QWLIOAGAGUTBCM-UHFFFAOYSA-N 424.551 5.316 0 40 HKAB CC[C@H](C)NC(=O)CSc1nnc(-c2cc(-c3cccs3)nc3ccccc23)o1 2664660 CNWMQUFTJVLDKB-ZDUSSCGKSA-N 424.551 5.020 0 40 HKAB COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccccc3)c2cc1OC 2691300 OGBSYIBKUOKZLS-UHFFFAOYSA-N 413.452 5.408 0 40 HKAB Cc1c(-c2ccc(F)cc2)nn(Cc2ccc(F)cc2Cl)c1-c1ccc(F)cc1 2733384 GECBTSOFDRBPOH-UHFFFAOYSA-N 412.842 6.645 0 40 HKAB O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccccc1Br 2961454 HSFFSVWVSLSSOL-UHFFFAOYSA-N 410.296 5.373 0 40 HKAB CN(C)Cc1cc(C(C)(C)C)c(OC(=O)NC(=O)c2ccccc2)c(C(C)(C)C)c1 3073673 RZIFQUHRIVOYRU-UHFFFAOYSA-N 410.558 5.272 0 40 HKAB COc1ccc(-c2nc(NC(=O)[C@H](c3ccc(Cl)cc3)C(C)C)sc2C)cc1 3395082 UIPDDHCFCFRUDF-IBGZPJMESA-N 414.958 6.159 0 40 HKAB O=C(c1ccccc1)[C@]1(c2nc3ccccc3s2)Cc2ccccc2N2CCC[C@@H]21 3437737 YDQNLQQDAOZBMJ-BVAGGSTKSA-N 410.542 5.642 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(OC)ccc2OC)N3)C1 4554579 GNPZGDUCNOJVCQ-XCLFUZPHSA-N 414.571 5.735 0 40 HKAB CCOc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3ccc(C)o3)C[C@H]21 4715707 FOEKZMRTFDMFFI-XXBNENTESA-N 410.420 5.507 0 40 HKAB CCC1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(OC)cc3)=NN12 5016892 QOJPIQYNVLYOHE-DXJIIWSXSA-N 410.945 6.189 0 40 HKAB Cc1ccc(OCCSc2nc3ccccc3n2CCc2ccccc2)cc1C 5285955 CPQGXYLTHPLPQL-UHFFFAOYSA-N 402.563 6.067 0 40 HKAB O=C(c1ccccc1Cl)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 5446618 PWLRFSGCYPTTSM-MELPGAGISA-N 406.869 5.963 0 40 HKAB CCCCCc1ccc(-c2ccc(-c3nc(-c4ccccc4Cl)no3)cc2)cc1 6050993 OJAXCNVJHSKZFQ-UHFFFAOYSA-N 402.925 7.457 0 40 HKAB CCCNC(=O)CSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1 6140593 DACTYPQCYKUOHJ-UHFFFAOYSA-N 422.598 5.146 0 40 HKAB Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2ccccc2C(F)(F)F)n1 6203208 GTASMULEFSVHHP-UHFFFAOYSA-N 403.429 5.202 0 40 HKAB CC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 6219003 UOEWMOGBDSZHJM-UHFFFAOYSA-N 402.475 5.183 0 40 HKAB CCCCC1=N[C@H]2Sc3c(ncnc3N(CCCC)CCCC)[C@@H]2C2=C1CCC2 6309815 FQJXDRVNTPSMQQ-RDPSFJRHSA-N 412.647 6.524 0 40 HKAB CCc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1 6588837 RVFVJIYOXPVAHL-UHFFFAOYSA-N 414.534 5.175 0 40 HKAB CCOc1ccc(NC(=O)c2nc(SCc3ccc(C)cc3)ncc2Cl)cc1 6748008 NWUCUBZPUFXJGP-UHFFFAOYSA-N 413.930 5.382 0 40 HKAB FC(F)Oc1ccc(NC(=S)Nc2ccc(SC(F)F)cc2)cc1Cl 6831217 POOHZCKXNVWHKS-UHFFFAOYSA-N 410.845 6.065 0 40 HKAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)C1CCCCC1 6927924 ZPDTXRRWTFBHQB-UHFFFAOYSA-N 409.533 5.889 0 40 HKAB Cc1cc(Cl)ccc1O[C@@H](C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 7654828 OPVYGGJONVRMKF-INIZCTEOSA-N 411.332 6.840 0 40 HKAB COc1ccc(CN(CC(=O)Nc2ccccc2Oc2ccccc2)C2CC2)cc1 7661795 IMHUISVWYWPGNF-UHFFFAOYSA-N 402.494 5.091 0 40 HKAB CC[C@H](OC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)C(=O)c1ccccc1 8040422 QJGZXYPVYWEOIT-NRFANRHFSA-N 412.445 5.222 0 40 HKAB O=C(Nc1ccc2c(c1)OCCCO2)c1oc2ccccc2c1COc1ccccc1 8128035 OOKWQSQYTIRVRR-UHFFFAOYSA-N 415.445 5.425 0 40 HKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCc1cc(-c2ccco2)on1 8205907 RGFZXVLGXVMTSY-UHFFFAOYSA-N 402.765 5.048 0 40 HKAB CC[C@H](Oc1ccccc1F)C(=O)NCCSCc1c(Cl)cccc1Cl 8479596 NZOBXFDYTBCYKN-KRWDZBQOSA-N 416.345 5.340 0 40 HKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccnc2)cc1 8742977 HAIJNCQEPHOXLB-IFMALSPDSA-N 420.310 5.395 0 40 HKAB Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NC1CCCCCC1 8771781 CISYWEOZIMJVOL-UHFFFAOYSA-N 406.939 5.202 0 40 HKAB C[C@H](OC(=O)CCc1nc2ccccc2s1)C(=O)Nc1cccc(Cl)c1Cl 9373460 VJKMUIWLBGJCDD-NSHDSACASA-N 423.321 5.106 0 40 HKAB Cc1cc(N2CCCC2)ccc1NC(=O)CCc1ncc(-c2ccccc2Cl)o1 10192955 SUQAWWZCZRRILX-UHFFFAOYSA-N 409.917 5.475 0 40 HKAB Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccncc1)O2 12042952 SXBBPJLDOJWJHX-CTNGQTDRSA-N 406.283 5.086 0 40 HKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 12192284 SDYOYTXCRLXSQR-AOYPEHQESA-N 412.533 6.235 0 40 HKAB COc1ccc(Cl)cc1N1C[C@H](c2nc(-c3ccc(C(C)C)cc3)no2)CC1=O 12416000 BNIHUDPSKTWCOK-MRXNPFEDSA-N 411.889 5.043 0 40 HKAB CCOc1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc(OCC)c1OCC 12890074 XTXPNQDNUYTZJB-INIZCTEOSA-N 415.555 5.414 0 40 HKAB Clc1cccc(CSc2nc3ccccc3c3nc(-c4ccncc4)nn23)c1 13640189 TYLVXXRMBVZXHZ-UHFFFAOYSA-N 403.898 5.285 0 40 HKAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 13684780 FEKAIBBAAXHHFQ-UHFFFAOYSA-N 422.912 5.310 0 40 HKAB C=Cc1ccc(Cn2nc(-c3ccc(OC)cc3)c(CC)c2-c2ccc(OC)cc2)cc1 13960640 XXFWODPXSDLHMX-UHFFFAOYSA-N 424.544 6.488 0 40 HKAB C[C@@H](NC(=O)c1cc2sc3ccccc3c2s1)c1ccc(S(C)(=O)=O)cc1 16109489 RHHOZQLWEDQRIG-GFCCVEGCSA-N 415.561 5.011 0 40 HKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccccc1C 17091177 WQUVFEXZJBHWAS-UHFFFAOYSA-N 417.559 5.707 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1 17093866 ZERCARTYQRQTQY-UHFFFAOYSA-N 424.456 5.918 0 40 HKAB Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@@H]2CCCN2Cc2ncc[nH]2)n1 19692054 HYLRFEWIQODEDM-FQEVSTJZSA-N 400.448 5.060 0 40 HKAB Cc1ccc2nc(S[C@H](C(=O)NCc3ccc(F)cc3)c3ccccc3)[nH]c2c1 19926648 PZZGJVUIPLJPNP-NRFANRHFSA-N 405.498 5.160 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 20610657 LPZTZPFMBLIMNN-UHFFFAOYSA-N 414.509 5.124 0 40 HKAB Cc1cc(NC(=O)c2ccc3ccccc3c2)n(-c2nc3ccc(F)cc3s2)n1 21685040 AZEDVKVOXHNKJV-UHFFFAOYSA-N 402.454 5.335 0 40 HKAB COc1cc(CNCCc2ccccc2)cc(Cl)c1OCc1ccccc1Cl 22074303 NTIQWKRGGDIPBI-UHFFFAOYSA-N 416.348 5.913 0 40 HKAB Clc1ccc(-c2nc(CSc3nnc(Nc4ccccc4)s3)cs2)cc1 23882782 XBRKHPLLRIVBPW-UHFFFAOYSA-N 416.984 6.351 0 40 HKAB O=C(Cc1csc(-c2ccsc2)n1)N1CCC[C@@H]1c1nc2ccccc2s1 31391180 KZFQBADCLIGHHX-MRXNPFEDSA-N 411.577 5.388 0 40 HKAB Cc1cc(C)cc(OCC(=O)Nc2ccccc2-c2nc(-c3ccc(F)cc3)no2)c1 32623014 SOGYHKCGQCWCNS-UHFFFAOYSA-N 417.440 5.177 0 40 HKAB C=Cc1ccc(CSc2nnc3n(CCC)c(=O)c4cc(Cl)ccc4n23)cc1 33256513 SVCURUBNLWGDOF-UHFFFAOYSA-N 410.930 5.043 0 40 HKAB Cc1ccc(/C=C2\SC(=O)N(CNc3ccc(Br)cc3C)C2=O)cc1 33402956 FPYYPTMNCFMNNV-YVLHZVERSA-N 417.328 5.172 0 40 HKAB CC(C)(C)[C@H]1CCCc2c(C(F)(F)F)nn(-c3nc(-c4ccc(F)cc4)cs3)c21 33435780 VPIRJWVBKMDPJB-HNNXBMFYSA-N 423.479 6.620 0 40 HKAB COc1cc(CNC(=O)Nc2ccccc2SC2CCCC2)cc(OC)c1OC 40104978 HGLZCIOWPRVWQQ-UHFFFAOYSA-N 416.543 5.069 0 40 HKAB Cc1cc(NC(=O)c2cccc(F)c2)sc1C(=O)N[C@@H](C)c1ccccc1F 40143402 MCPSFNLIEWYIII-ZDUSSCGKSA-N 400.450 5.078 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(NC(=O)C(C)C)cc1 44759209 DTHNEFSAAUVGKU-UHFFFAOYSA-N 415.493 5.094 0 40 HKAB O=C(CSc1nncc2ccccc12)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 53774964 KSDFZNQRFWIHDC-GOSISDBHSA-N 418.349 5.392 0 40 HKAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72214947 QBZPXADAQBJCGY-GOSISDBHSA-N 419.566 5.694 0 40 HKAB O=C(NC1CCCCC1)c1cnc(-c2noc3cc(-c4ccncc4)ccc23)s1 96154543 ZQKCXARYERJWKF-UHFFFAOYSA-N 404.495 5.076 0 40 HKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(Cl)c1N1CCCC1 107909197 UVYSCMKBWBYSRM-UHFFFAOYSA-N 412.961 6.005 0 40 HKAB CC[C@H](/C=C\[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118915232 HCXVJBMSMIARIN-GOBBZIARSA-N 412.702 7.801 0 40 HKAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 222582408 GCVKMAXHFGSNAV-UHFFFAOYSA-N 409.770 5.516 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)c1 223144817 QBHBFJPYHVKRBW-REWPJTCUSA-N 421.581 6.229 0 40 HKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 223599993 QKVWRWPIRFVURK-VWLOTQADSA-N 422.613 5.466 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1cccc(Cl)c1 224486336 NITFKYLNMHNPFO-QGZVFWFLSA-N 409.913 5.809 0 40 HKAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)o2)c1 224847131 VTFKVARNVDGRNU-UHFFFAOYSA-N 414.461 5.714 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)c3cccc(OCc4ccccc4)c3)ccc21 225157411 OEFABHQOQSWVLV-UHFFFAOYSA-N 418.518 5.475 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 225528303 SYXUSBWASAOIST-HNNXBMFYSA-N 406.353 6.621 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1C(=O)OC 225755368 FFHNQXRYMYFDRA-GOSISDBHSA-N 409.526 5.491 0 40 HKAB CC(C)[C@H]1C[C@@](C)(NC(=O)Cc2ccc(F)cc2)C[C@@H](c2ccc(Cl)cc2)O1 257329122 XIORLAAMPFEULK-FUPPJEDESA-N 403.925 5.473 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CSCc3ccc(Cl)cc3)ccc21 408573371 CXTQNAMDQIDZEQ-UHFFFAOYSA-N 408.954 6.340 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408639371 FWEYXKRUTKVEBR-SECBINFHSA-N 418.107 5.292 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccccc2)cc1 408697420 HGSBDDDFBJSZON-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB Cc1ccccc1NC(=O)[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)O 408822334 LHAWQMOQFHESOM-ZCAIMPEWSA-N 411.501 5.388 0 40 HKAB CCOC(=O)C1=C(C)N=C(SCC(C)C)N[C@H]1c1cccc(Cl)c1Cl 408985799 AZVAMZHHFMVRPO-INIZCTEOSA-N 401.359 5.220 0 40 HKAB O=C1Nc2ccccc2S/C1=C\c1ccc(OCc2cccc3ccccc23)cc1 409091440 ULSLPEOQWTWSPO-XYGWBWBKSA-N 409.510 6.504 0 40 HKAB CCOc1ccc(Br)cc1/C=C1\C(=O)Nc2cc(C(F)(F)F)ccc21 409102124 ZYIYAWLVOUQWOB-ZSOIEALJSA-N 412.205 5.359 0 40 HKAB CCOC(=O)c1c(NS(=O)(=O)c2cccc3cccc(Cl)c23)sc(C)c1C 409119937 URLSMTZXMGPPJR-UHFFFAOYSA-N 423.943 5.149 0 40 HKAB O=C(CCc1ccccc1Br)N[C@H](c1ccsc1)c1cccs1 618256014 MPRDIPDRNXFZOL-GOSISDBHSA-N 406.370 5.411 0 40 HKAB Cc1oc2ccc(OCc3ccc(Br)cc3)cc2c1C(=O)OC(C)C 639099 QUCLSZJOZQYZFT-UHFFFAOYSA-N 403.272 5.648 0 40 HKAB biogenic O=C(Nc1cccc(Cl)c1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 677193 JHTQRWVGLVNQAP-UHFFFAOYSA-N 416.790 5.321 0 40 HKAB O=C(O)c1ccc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1 850400 QQUBTOQQOGRENN-UHFFFAOYSA-N 420.266 5.501 0 40 HKAB Cc1sc2nc(C(C)C)nc(SCC(=O)N3c4ccccc4C[C@H]3C)c2c1C 1340397 NTVCDECUKOOWHJ-CYBMUJFWSA-N 411.596 5.501 0 40 HKAB CCCC(=O)N1CCc2cc(-c3nc(NC(=O)c4ccccc4F)sc3C)ccc21 1365701 MUTOWYBODDIWPU-UHFFFAOYSA-N 423.513 5.199 0 40 HKAB O=C(OCc1ccccc1)c1ccc(NC(=O)c2ccccc2Br)cc1 1435565 UDGGCQPBQRBPCX-UHFFFAOYSA-N 410.267 5.058 0 40 HKAB Clc1ccc(C(=C=C(c2ccccc2)c2ccccc2)c2ccc(Cl)cc2)cc1 1632696 JJBRMSAVINYNOL-UHFFFAOYSA-N 413.347 8.156 0 40 HKAB C1=C[C@@H](c2ccccc2)c2c(-c3ccccc3)oc(-c3ccccc3)c2[C@@H]1c1ccccc1 1718663 LPPKTYKSMWNKPR-NSOVKSMOSA-N 424.543 8.447 0 40 HKAB Cc1ccc(-c2nnc(Oc3ccc(OCc4ccccc4)cc3)c3ccccc23)cc1 1895534 OBDIZKSDHLLKMA-UHFFFAOYSA-N 418.496 6.977 0 40 HKAB COc1ccc(OCCCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 1903913 NSKFDLNEGYRXGD-UHFFFAOYSA-N 402.903 5.270 0 40 HKAB CCCCc1nc2sc3c(SCc4ccccc4)ncnc3c2c2c1CCC2 2327037 ZSLGVNSINIVFQQ-UHFFFAOYSA-N 405.592 6.363 0 40 HKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(Cc1ccco1)C3=O 2407727 REMUKJPOVSCNJO-QHCPKHFHSA-N 413.473 5.563 0 40 HKAB COc1ccc2c(Cc3ccc(Cl)cc3Cl)c(-c3ccccc3)c(=O)oc2c1 2581740 KVZXHIYMWNUYOV-UHFFFAOYSA-N 411.284 6.366 0 40 HKAB biogenic Clc1nc(Nc2cccc3ccccc23)nc(N(c2ccccc2)c2ccccc2)n1 3092816 JXFDLFIAUAFLHS-UHFFFAOYSA-N 423.907 6.892 0 40 HKAB Cc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc2oc3ccccc3c2c1 3627958 VXKPMKCZGKNHQO-SANMLTNESA-N 404.469 6.666 0 40 HKAB Cc1cc(C)c(NC(=O)CN2C(=O)C[C@@H](c3ccco3)Sc3ccccc32)c(C)c1 4162815 FMZYJMAPVARLNA-NRFANRHFSA-N 420.534 5.414 0 40 HKAB Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)c1 4463669 YSGKRPWCXXRJGW-UHFFFAOYSA-N 404.510 5.493 0 40 HKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)Oc1ccccc1 4699039 UOTZKBJQECRIMP-CYBMUJFWSA-N 408.354 6.037 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3o2)cc1 4746971 GXUTWEODRUMKNM-UHFFFAOYSA-N 401.491 5.184 0 40 HKAB O=C(Nc1ccc(F)cc1C(=O)Cc1ccccc1)c1cccc(Br)c1 4761514 RHFVTSVBASWEFO-UHFFFAOYSA-N 412.258 5.266 0 40 HKAB Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)oc2c1 4866631 MKOHGNHRTVGCFS-UHFFFAOYSA-N 404.469 6.723 0 40 HKAB O=C(COc1ccccc1F)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 5526141 FJPHBQRGPJCXIG-PABCSEEXSA-N 420.440 5.214 0 40 HKAB O=S(=O)(Nc1ccc2c(c1)oc1ccccc12)c1ccc(C2CCCCC2)cc1 5681645 GNNRSHABNGIMEE-UHFFFAOYSA-N 405.519 6.435 0 40 HKAB O=c1[nH]c(CNc2ccc3c(c2)CCC3)nc2scc(-c3ccccc3Cl)c12 7191872 RNTASJSQKJBOID-UHFFFAOYSA-N 407.926 5.406 0 40 HKAB CCCCCCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 7260995 PTTPKTSKDDCBQN-UHFFFAOYSA-N 400.777 6.896 0 40 HKAB CCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 7687241 SQPVYVNHUZTBPM-UHFFFAOYSA-N 409.869 5.348 0 40 HKAB CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)[C@H]1CC=CCC1 8406207 FHNRYCLGALVSLK-FQEVSTJZSA-N 419.956 5.567 0 40 HKAB O=C(Nc1cccc(CNCCc2c[nH]c3ccccc23)c1)c1ccccc1Cl 8428757 FDNCIKGJDMYCTF-UHFFFAOYSA-N 403.913 5.406 0 40 HKAB O=C(CCC(=O)OCc1ccccc1Cl)Nc1ccc2c(c1)oc1ccccc12 8475421 YTJJDVJPKAZCIV-UHFFFAOYSA-N 407.853 5.702 0 40 HKAB O=C(Nc1ccccc1-c1nnc(SCc2ccc(Cl)cc2)o1)c1ccccc1 8649042 CSCMZLZYBBADLD-UHFFFAOYSA-N 421.909 5.935 0 40 HKAB aggregator O=C(c1ccc(COc2ccccc2)o1)N1CCc2sccc2[C@@H]1c1cccs1 9048035 BINLZCBLCNYYMV-JOCHJYFZSA-N 421.543 5.770 0 40 HKAB CCN(C(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1)c1cccc(C)c1 9821837 ZTOLIGAULFYYBU-UHFFFAOYSA-N 415.533 5.954 0 40 HKAB c1ccc(C(Sc2nnc(Cc3cccs3)n2C2CC2)c2ccccc2)cc1 9833352 IPZWQZQOHHLZSQ-UHFFFAOYSA-N 403.576 6.147 0 40 HKAB CCOc1cccc2c1O[C@@H](c1cccs1)N1N=C(c3ccc4c(c3)OCO4)C[C@H]21 10215815 NVJUZPUYIFHPJK-HXOBKFHXSA-N 420.490 5.118 0 40 HKAB CCc1cc(-c2n[nH]c(N)c2-c2nc(C)cs2)c(O)cc1OCc1cccc(C)c1 11867306 NFYMWDDMMHKRRS-UHFFFAOYSA-N 420.538 5.246 0 40 HKAB COc1ccc2cc(CN(C)C(=O)NCc3ccc(OC(F)(F)F)cc3)ccc2c1 12802444 ZLCLKZLRRYERGO-UHFFFAOYSA-N 418.415 5.089 0 40 HKAB COc1ccc(C)cc1NC(=O)[C@H](N[C@H](C)c1ccc2ccccc2c1)c1ccccc1 12932748 CBSQTUYDDBIKQY-NFQMXDRXSA-N 424.544 6.187 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N(Cc1ccccc1)C1CC1 13020154 YKXBZMIYYGOWDR-CCEZHUSRSA-N 419.956 5.406 0 40 HKAB Clc1ccc(-c2cc(-c3nc(-c4ccccc4Cl)no3)c3ccccc3n2)cc1 13940542 SERHGNNTRMCBOQ-UHFFFAOYSA-N 418.283 6.926 0 40 HKAB CC(C)=CCc1cc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)c(O)cc1O 14727511 IPNPAENNCXAVSJ-QHCPKHFHSA-N 424.493 5.233 0 40 HKAB biogenic c1ccc(N(c2ccc(N(c3ccccc3)c3cccs3)cc2)c2cccs2)cc1 16487829 PRUGAZKIFBXQIP-UHFFFAOYSA-N 424.594 8.749 0 40 HKAB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1c(F)c(F)c(F)c(F)c1F 17082810 PMQOIMLDLFEHBT-UHFFFAOYSA-N 404.294 5.443 0 40 HKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)c1 17090368 JPGAFWDEALVLTJ-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB CC(C)COc1cccc(C(=O)NC(=S)Nc2nc3c(Cl)cccc3s2)c1 17092055 BOFFVLMZFOAVQV-UHFFFAOYSA-N 419.959 5.111 0 40 HKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(Cl)c(Cl)c1 18832830 HMTNZRYYTSYYJH-UHFFFAOYSA-N 424.715 5.749 0 40 HKAB O=C(Nc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1)c1ccco1 19945480 TWLNFHQDHBTXSC-UHFFFAOYSA-N 408.885 5.636 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 22072804 POACJRRSVFGLQJ-UHFFFAOYSA-N 407.779 5.630 0 40 HKAB COc1ccccc1C(=O)Nc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1 22419836 ZTCKSOVSAGHWEY-UHFFFAOYSA-N 414.461 5.490 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2cccc3ccccc23)cc1OCC 22530341 UTFLGBYZIYAUGK-AVRDEDQJSA-N 421.537 5.672 0 40 HKAB Clc1ccc(-c2cc(CSc3nnc(-c4cccs4)o3)on2)c(Cl)c1 22988071 UJQXYLOUUADLMB-UHFFFAOYSA-N 410.307 6.052 0 40 HKAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(C2SCCCS2)cc1 23739396 DMKFZTUMLNAPKB-OAQYLSRUSA-N 412.624 5.122 0 40 HKAB O[C@@H](CNCc1ccccc1)COC(c1ccccc1)(c1ccccc1)c1ccccc1 26897938 KMHZEIBEUBYGQT-NDEPHWFRSA-N 423.556 5.146 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCCCC3)cc2)cc1 30943413 BCFBBUMSTQFVNH-UHFFFAOYSA-N 408.542 5.272 0 40 HKAB Cc1ccc(Nc2c(-c3ccccc3O)nc3ccc(C)cn23)c(Br)c1 35616457 JKCJASYZEQFJOX-UHFFFAOYSA-N 408.299 5.830 0 40 HKAB COc1ccc(C2=NN3[C@H](c4cccc(Cl)c4)Oc4c(OC)cccc4[C@H]3C2)cc1 36352244 ZJKGOOZYHVSQHZ-QPPBQGQZSA-N 420.896 5.600 0 40 HKAB Cc1ccc(N2C(=O)/C(=C/c3cn(CC(C)C)c4ccccc34)N(C)C2=S)cc1C 39556432 KGESZBOEUXZABF-QRVIBDJDSA-N 417.578 5.519 0 40 HKAB COc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1 40485916 XZBONDBRFFZKDM-DEOSSOPVSA-N 414.505 5.266 0 40 HKAB Cc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc4c(Cl)cccc34)c2)c1 41091601 YYPCOAAUHBNVST-UHFFFAOYSA-N 414.892 6.306 0 40 HKAB Cc1ccccc1[C@H](NC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 44839870 HTIIROKPVBVKSD-MUUNZHRXSA-N 405.541 6.300 0 40 HKAB CC(C)CCn1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2ccccc2c1=O 57472534 PPDYGVNBCNQCSJ-UHFFFAOYSA-N 423.582 5.297 0 40 HKAB O=C(Nc1ccccc1)c1cc2ccccc2o/c1=N\c1cccc(OC(F)(F)F)c1 67297439 XUKPGQCZAOWSGR-SLMZUGIISA-N 424.378 5.816 0 40 HKAB O=C(Nc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccco1 71761653 YRZKSDQIOHSCGY-UHFFFAOYSA-N 421.400 5.239 0 40 HKAB CC1CCN(c2cc(NC(=O)c3ccc(Br)cc3)c(Cl)cc2N)CC1 72229319 WRTFRAZINDEANT-UHFFFAOYSA-N 422.754 5.173 0 40 HKAB Cc1cc2cc(C(=O)N3CCC[C@@H]3c3ccnc(-c4ccc(Cl)cc4)n3)ccc2o1 72355891 ILFHETAKGCKZIB-OAQYLSRUSA-N 417.896 5.829 0 40 HKAB CC[C@@H]1CCCCN1c1ccc2c(c1)CCCN2C(=O)c1ccc(C)c(NC(C)=O)c1 96012093 PEVXRWMEYHVUBP-JOCHJYFZSA-N 419.569 5.315 0 40 HKAB CC1(OC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC(C)(C)N(O)C(C)(C)C1 96068505 QNESRSMCRNKKGO-UHFFFAOYSA-N 419.606 5.945 0 40 HKAB CCCc1nnsc1C(=O)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 96124443 SSIDXDIDFWAVCT-UHFFFAOYSA-N 422.539 5.005 0 40 HKAB Cc1c(CCOC(=O)c2ccc(Cl)cc2)sc[n+]1Cc1ccc(Cl)cc1 98086551 DONLYCSZUKDKAA-UHFFFAOYSA-N 407.342 5.099 0 40 HKAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C3C4CC5CC(C4)CC3C5)[C@H]2C1=O 102690437 JKIGKXZBOSMTRZ-UHIDXKSPSA-N 419.952 5.323 0 40 HKAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)C5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCCO5 118940787 KSCYGVKBSKASRS-RAPVPNNWSA-N 402.575 5.260 0 40 HKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)N(C)N=O)CC[C@@H]32)C1 122612449 OSEUSDPKNGVSLT-ILXSVLPJSA-N 404.595 5.579 0 40 HKAB O=C(NCCCc1ccc(Cl)cc1)c1cc(Cl)ccc1OCc1ccccc1 219768542 NBXZWMBYXZNAIO-UHFFFAOYSA-N 414.332 5.935 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1Cl 223132689 JOXYAYCWCMIGCO-MRXNPFEDSA-N 422.912 5.482 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(OC)c(Cl)cc1OC 223466955 XKUYQVZZZDFZJX-IBGZPJMESA-N 403.906 5.032 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2C)c1 224276017 HNKOOQMFMOMPAU-UHFFFAOYSA-N 417.549 6.323 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1cc(C)cc(C)c1C 224608463 NURUMUQEXRMEML-UHFFFAOYSA-N 417.549 6.459 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1CSc1ccc(C)cc1 224663883 UDXWHMJGXGREAP-UHFFFAOYSA-N 421.562 6.337 0 40 HKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 225434266 RCPZZFNFLJMXNY-MRXNPFEDSA-N 419.959 5.280 0 40 HKAB CCOc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3ccc(C)c(C)c3)C[C@@H]21 227487159 VJLIFRAZSSOQHT-URXFXBBRSA-N 404.535 6.006 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2cc(Cl)ccc2C)c1 408697584 IFONXAOCTMOVCB-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C(/C=C/c1ccccc1Cl)NCCSCc1ccc(Cl)cc1Cl 408906188 CWPZJVSGFSWMEP-SOFGYWHQSA-N 400.758 5.710 0 40 HKAB COc1ccccc1NC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 408975381 AWKSIIUKENKLJF-UHFFFAOYSA-N 411.417 5.411 0 40 HKAB O=C(N/C(=C/c1ccccc1)C(=O)N1CCCCCC1)c1ccc(Cl)cc1Cl 824964 ZJRBEKHZKRVMPD-XSFVSMFZSA-N 417.336 5.167 0 40 HKAB COc1ccc(C(=O)N(Cc2ccccc2)c2nc(-c3ccccc3)cs2)cc1 882067 XGGLSJPEFLBUQX-UHFFFAOYSA-N 400.503 5.666 0 40 HKAB COc1ccc2nc(-c3ccccc3)nc(SCC(=O)N(C)C3CCCCC3)c2c1 906266 GPGGQBHCGQLJTN-UHFFFAOYSA-N 421.566 5.189 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4C)nc3c2)c(C)c1 1311641 MVDNJXGPGGDZKO-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB Cc1ccc(-c2csc(N3N=C(/C=C/c4ccco4)C[C@]3(O)C(F)(F)F)n2)cc1 1406756 CUAYPWFYSAAIBE-SGQUHAKNSA-N 419.428 5.242 0 40 HKAB O=C(COc1ccccc1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1600276 CGEPQRSTZWEDMW-UHFFFAOYSA-N 400.472 5.938 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(-c2ccccc2)cc1 1850829 HXZYGUKDJHMWJR-UHFFFAOYSA-N 410.439 6.225 0 40 HKAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1c(Cl)cccc1Cl 2265029 DNWXOKAEYHYWCF-BVZFJXPGSA-N 402.258 5.079 0 40 HKAB COc1ccc(C2=C(Cl)C=C(c3ccccc3C)c3ccccc3O2)cc1OC 2298779 FBZZSGYVYWLWPN-UHFFFAOYSA-N 404.893 6.444 0 40 HKAB COc1cccc(-c2nc(Oc3ccc(Cl)cc3Cl)c3ccccc3n2)c1O 2405082 IXNKVDULAPVTSW-UHFFFAOYSA-N 413.260 6.110 0 40 HKAB CCCc1nc2sc3c(NC4CCCCC4)nc(SC)nc3c2c2c1CCC2 2412162 HUTOTNIJFYIYRO-UHFFFAOYSA-N 412.628 6.147 0 40 HKAB CCn1c(NC(=O)c2ccccc2Cl)c(-c2cccs2)c(=O)c2ccccc21 2432278 TVYXDCRLQNALAF-UHFFFAOYSA-N 408.910 5.656 0 40 HKAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Oc2ccc3oc4ccccc4c3c2)c1C 2616316 NUZXFAGLHZSDDQ-OAHLLOKOSA-N 405.450 5.358 0 40 HKAB CCCC(=O)Oc1cc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)ccc1OC 2738455 LNBFBDKFDYAPGZ-XMHGGMMESA-N 421.493 5.043 0 40 HKAB FC(F)(F)c1cccc(COn2c(-c3ccccc3)nc3ccc(Cl)cc32)c1 3063559 ROBXIHKUPYSMQB-UHFFFAOYSA-N 402.803 6.004 0 40 HKAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(Br)cc2)o1 3259188 NQIARQFSEHVOSL-UHFFFAOYSA-N 419.300 5.003 0 40 HKAB CCCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)c(Cl)c2)cc1 3666302 NHCCHXYSTTYPCJ-DEOSSOPVSA-N 420.940 6.598 0 40 HKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)cc1C 4033308 DVCVVTFRUKONIX-HXUWFJFHSA-N 413.496 5.361 0 40 HKAB Cc1ccccc1NC(=O)CSc1nc(C(C)C)nc2sc3c(c12)CCCC3 4218044 XNBMAFGTVKBKBU-UHFFFAOYSA-N 411.596 5.733 0 40 HKAB Cn1cc(C2(c3cn(C)c4ccccc34)C(=O)Nc3ccc(F)cc32)c2ccccc21 4631209 CVEOCHQLELSJJA-UHFFFAOYSA-N 409.464 5.096 0 40 HKAB Cc1cc(NC(=O)[C@H](CC(C)C)NC(=O)C2CCC(C)CC2)ccc1Br 4872489 OBRXYRBVNGMLFJ-KJXMEXGPSA-N 423.395 5.053 0 40 HKAB CCn1c2ccccc2c2cc(/C=C/c3nc4ccc5ccccc5c4s3)ccc21 5569479 DPDNPEZRBGZLBC-FOWTUZBSSA-N 404.538 7.748 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C(C)C)cc4)c3)nc2c1 5953935 NMGSXFCCOAMJSG-GOSISDBHSA-N 412.533 7.384 0 40 HKAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1C 5995625 GPERLJGSBYMZAI-UHFFFAOYSA-N 417.292 5.208 0 40 HKAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc3ccccc3c2)c1 6386546 YPTAGPAITRACRI-UHFFFAOYSA-N 405.523 5.095 0 40 HKAB O=C(CSCCCSCC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 6505977 YYIPWBIAIWULAL-UHFFFAOYSA-N 413.391 5.916 0 40 HKAB Cc1c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n(C)n(-c2ccccc2)c1=O 6506373 RTIOMYIYCILHTJ-UHFFFAOYSA-N 406.489 5.209 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1 7072936 ORUVWBQKIAIMQC-QGZVFWFLSA-N 414.509 5.260 0 40 HKAB CCOc1ccc([C@H](C)NC(c2ccc(F)cc2)c2ccc(F)cc2)cc1OCC 7982488 HSMKIQDTRUEWAS-KRWDZBQOSA-N 411.492 6.202 0 40 HKAB CCOc1cc(CNC[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 8253958 RSARQYRXTWBBBJ-SFHVURJKSA-N 410.341 5.240 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cccc(N2CCCC2=O)c1 8429273 STZFWDMNRNYFID-UHFFFAOYSA-N 413.502 5.342 0 40 HKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(C(C)C)cc3)CC2=O)cc1 8618319 AUBMVBYAUKFYTO-HSZRJFAPSA-N 423.560 6.037 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3ccccc3C(F)(F)F)n2)cc1OC 8734675 SIAJZGLPIHLURS-UHFFFAOYSA-N 408.401 5.098 0 40 HKAB O=C(Nc1ccccc1)Nc1nnc(CCCOc2ccc(Cl)cc2Cl)s1 8738115 WXGVEWRRXUZAJD-UHFFFAOYSA-N 423.325 5.501 0 40 HKAB CC(C)COc1ccc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1 8903721 QJNVDFLVSHTJNI-UHFFFAOYSA-N 412.511 5.149 0 40 HKAB CC(=O)[C@@H](Sc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1)c1ccccc1 8943353 KYDFZKZEICCUQF-HXUWFJFHSA-N 420.559 5.486 0 40 HKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc2cccc(OC)c2o1 8960457 MLTHCVZNRQBMAB-UHFFFAOYSA-N 421.474 5.599 0 40 HKAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3ccc(Br)cc3)ccc1O2 9135021 LQVZKRURTRHOQF-UHFFFAOYSA-N 423.266 5.368 0 40 HKAB CCCCCn1nc(C(=O)Nc2nc(-c3cccs3)cs2)c2ccccc2c1=O 9283342 DAPFHMSLCUQAOJ-UHFFFAOYSA-N 424.551 5.024 0 40 HKAB Cc1ccc(-c2cc(OC(=O)[C@H](C)Oc3ccccc3F)cc3sc(=O)oc23)cc1 9408852 OSGHNSZBAMEQFV-AWEZNQCLSA-N 424.449 5.342 0 40 HKAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccccc1N1CCCC1 9469897 KKERDUGSXUCKJO-OAQYLSRUSA-N 413.565 5.413 0 40 HKAB Cc1cccc(OCC(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 10120435 VYJZWOQBAVVAKF-UHFFFAOYSA-N 400.478 5.115 0 40 HKAB CCC(=O)Nc1ccc(-c2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)cs2)cc1 12757329 DRKVBCWPOKUAHT-UHFFFAOYSA-N 407.539 5.810 0 40 HKAB COC(=O)/C(=C\Nc1cccc(Cl)c1C)c1ncc(C(F)(F)F)cc1Cl 13470756 IHSBHWRENQAALW-FLIBITNWSA-N 405.203 5.342 0 40 HKAB O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc(-c2ccccc2)cc1 13990797 AEXNKAHIWOCMTR-UHFFFAOYSA-N 420.512 5.578 0 40 HKAB Cc1ccc(NC(=O)Cc2nc(-c3cc(C)n(-c4nc(C)cs4)c3C)cs2)cc1 14239508 NPJLXQULTOEZNM-UHFFFAOYSA-N 422.579 5.472 0 40 HKAB O=C(/C=C/c1ccc(F)cc1)OCc1csc(COc2ccc(Cl)cc2)n1 14852206 GJATZEOVQJUIRZ-XCVCLJGOSA-N 403.862 5.271 0 40 HKAB COc1cc([C@@H]2CC(=O)Nc3sc4c(c32)CC[C@@H](C(C)(C)C)C4)cc(OC)c1O 15107010 BYTFMTNRIZAHAL-HIFRSBDPSA-N 415.555 5.096 0 40 HKAB CCOc1ccc(-n2c3c(c(SCc4ccc(Cl)cc4)nc2=O)CCC3)cc1 15840500 ZOXOSPLNLJWRQG-UHFFFAOYSA-N 412.942 5.066 0 40 HKAB O=C(Nc1cccc(Br)c1)c1cc(-c2ccncc2)nc2ccccc12 16969350 VBWCXOQPFROLCN-UHFFFAOYSA-N 404.267 5.312 0 40 HKAB CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)C(C)(C)C)cc3O)nc2c1 17088957 FAMJVPDKAXANQD-UHFFFAOYSA-N 411.527 5.183 0 40 HKAB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cccc(F)c1 17090962 OGIWLYYEEQOONB-UHFFFAOYSA-N 417.292 6.662 0 40 HKAB CCCc1sc(NC(=O)c2ccccn2)nc1-c1ccc(Br)cc1 18192530 CPDKPZULRZTUSD-UHFFFAOYSA-N 402.317 5.172 0 40 HKAB Cc1scc(C(=O)N2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)c1C 19561844 RZIXJFCORUKNPQ-UHFFFAOYSA-N 405.470 5.167 0 40 HKAB Clc1ccccc1-n1cc(-c2ccccc2)c2c(N3CCCCCC3)ncnc21 21798142 VKQFLMPHPVBWTI-UHFFFAOYSA-N 402.929 6.121 0 40 HKAB Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3cccc4ccccc34)n2)c1 27663844 XBUSALVKQGVZMV-UHFFFAOYSA-N 419.937 6.136 0 40 HKAB CC(C)c1ccc(NC(=O)CSCc2cc(=O)c3cc(Cl)ccc3[nH]2)cc1 33064170 IBXKQZVVUGGKNO-UHFFFAOYSA-N 400.931 5.177 0 40 HKAB COc1ccccc1/C=C1/S/C(=N/c2cc(C(F)(F)F)ccc2Cl)NC1=O 35644469 CAZGFTWHNQWHKD-OVCLIPMQSA-N 412.820 5.259 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 40913209 YLKOHVSRYGPNEL-INIZCTEOSA-N 403.906 5.320 0 40 HKAB O=C(Nc1nnc(-c2ccc(OC(F)(F)F)cc2)o1)C1(c2cccs2)CCCC1 61973961 QDWRSYXQEBQVJY-UHFFFAOYSA-N 423.416 5.147 0 40 HKAB C[C@@H](Oc1ccc(F)cc1)c1nnc(C2(c3ccc(Cl)cc3)CCOCC2)o1 71889861 SZHFTUBUJHSJNJ-CQSZACIVSA-N 402.853 5.099 0 40 HKAB CCCc1noc2nc(-c3cccnc3)cc(C(=O)Nc3nccc4sccc34)c12 96011149 YJTRKSJLYALQAA-UHFFFAOYSA-N 415.478 5.099 0 40 HKAB Cc1ccccc1[C@@H]1N=C(Nc2nc3ccccc3o2)N=C2CC(C)(C)CC(O)=C21 102674943 YBFBTCUQHRNHFD-NRFANRHFSA-N 400.482 5.732 0 40 HKAB Cc1ccc(CN2C(=O)S/C(=C/c3cccc(Oc4ccccc4)c3)C2=O)cc1 214484875 GVSDFRNFVNSINU-PXLXIMEGSA-N 401.487 6.024 0 40 HKAB Cc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(Cl)cc1F)CC(C)(C)O2 222859570 HBSNYFAXMNYTNX-SFHVURJKSA-N 407.938 5.439 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1cccc(Cl)c1 224489952 TYDUEULPPKJDJD-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccc(C)c(C)c1 224625809 KWZBNILVCFMHRU-UHFFFAOYSA-N 421.562 6.255 0 40 HKAB CCCCCn1c(SCc2nc(-c3ccc(F)cc3)no2)nc2ccccc2c1=O 225532114 QCGHQHKWJJEPGR-UHFFFAOYSA-N 424.501 5.068 0 40 HKAB CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225703700 SDPFIPAOMJTCKZ-XMMPIXPASA-N 404.595 5.255 0 40 HKAB CC(C)COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)c2ccccc12 225763471 UAZBCYUOZPGJGK-UHFFFAOYSA-N 419.540 6.854 0 40 HKAB CCc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@@H](c2ccccc2)N3)cc1 226818492 MTLYDWYLYWTAMD-GOZGONJHSA-N 422.572 6.798 0 40 HKAB C[C@@H]1C/C(=C\c2cccs2)C2=NN(C(=O)c3ccncc3)[C@H](c3cccs3)[C@@H]2C1 254616142 DBOVRNHDBFCWEW-LCYZYFRNSA-N 419.575 5.887 0 40 HKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccc(Cl)cc1)C[C@]2(C)NC(=O)c1ccc(F)cc1 257285868 PJGMLXMKOZNOHY-XKWXGUCDSA-N 415.936 5.934 0 40 HKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccccc2Br)cc1 408579025 CKIHNXJXBJCEBQ-UHFFFAOYSA-N 401.329 5.696 0 40 HKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)COc1ccccc1C(C)(C)C 408682578 ZKFKECCPTSSHMC-UHFFFAOYSA-N 419.590 6.602 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2cc(Cl)ccc2C)c1 408698398 NJHAZOUJDYKZFV-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1/N=C(/C=C/c2ccccc2)OC1=O 408839025 LSYIHAIKVYBMEH-NHNMBSAWSA-N 421.452 5.315 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)C(C4(C)OCCO4)=CC[C@@H]32)C1 2049238355 JYRJWVYVMVQZQS-IFQWMDHTSA-N 400.559 5.180 0 40 HKAB CC(C)OC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cccnc1Cl 679848 UFVSZTDJWZAMGW-UHFFFAOYSA-N 418.877 5.420 0 40 HKAB Cc1ccnc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)c1 813425 DHEQJYIRWIOUDX-UHFFFAOYSA-N 407.524 5.274 0 40 HKAB CCOc1ccc(NC(=O)Nc2ccccc2C(=O)Nc2ccc(OCC)cc2)cc1 853163 RGZMUMXZGZETST-UHFFFAOYSA-N 419.481 5.380 0 40 HKAB Cc1ccc2nc(N3C(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)sc2c1 988077 HOSQKJAKTRWDAR-BWWMBTDCSA-N 422.509 5.001 0 40 HKAB CC(=O)c1cnc2c(-c3ccccc3)c(-c3cccc(Br)c3)nn2c1C 1079640 ADMSWGFDIHMNTQ-UHFFFAOYSA-N 406.283 5.337 0 40 HKAB CCOc1ccc(CN(CCc2ccc3c(c2)OCO3)Cc2ccc(Cl)cc2)cc1 1456140 YIYDVUUXRLWHAL-UHFFFAOYSA-N 423.940 5.712 0 40 HKAB CCCOC(=O)[C@H](CC)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 1770235 DCHPARBQWIFMSK-IBGZPJMESA-N 400.858 5.224 0 40 HKAB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC(=O)c3ccccc3)cc12 1792349 BYUSFOMXTXOUEH-UHFFFAOYSA-N 413.473 5.643 0 40 HKAB Clc1ccc(-c2nc(Nc3ccc(Cl)cc3Cl)c3ccccc3n2)cc1 2269938 RCJSKLWYYXQOOZ-UHFFFAOYSA-N 400.696 7.001 0 40 HKAB O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc2ccccc2c1 2636000 OPPVCGFLMTYEKJ-UHFFFAOYSA-N 419.346 5.678 0 40 HKAB COc1ccc(Br)cc1[C@H]1Nc2ccccc2C(=O)N1c1ccc(C)cc1 2746654 AZTHDGHGNMVTAJ-NRFANRHFSA-N 423.310 5.537 0 40 HKAB O=C(OCc1ccccc1F)c1ccccc1Nc1ccc(SC(F)F)cc1 3244750 YVHBBAWDVCRVPT-UHFFFAOYSA-N 403.425 6.241 0 40 HKAB O=C(OCc1c(F)cccc1Cl)c1ccccc1Nc1cccc(C(F)(F)F)c1 3338178 XNAJDJRBEIXTEN-UHFFFAOYSA-N 423.793 6.599 0 40 HKAB COc1ccc(-c2cc(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccc3n2)cc1 3435765 MVDDPACHHARPGF-UHFFFAOYSA-N 402.881 6.125 0 40 HKAB O=C(Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2)c1ccco1 4176235 MQERIYGRHGZWMP-UHFFFAOYSA-N 403.463 5.257 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)c(C)c1 4554455 ISCNDRMDQBHONV-UHFFFAOYSA-N 406.938 6.794 0 40 HKAB ClC(Cl)(Cl)[C@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 4733879 QPZSAVAYKSCRPA-IBGZPJMESA-N 404.724 6.117 0 40 HKAB biogenic Cc1ccc(C)c(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2CC(=O)O)c1 5023157 YSFPNQFZSSBBBU-UHFFFAOYSA-N 406.429 5.816 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCCCCCCCC2 5333640 NOYYELLIRFOYRW-UHFFFAOYSA-N 413.583 6.397 0 40 HKAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)N[C@H]3CCCc4ccccc43)o2)cc1C 5779289 ZIACNDWQTCJCLG-UZLBHIALSA-N 407.539 5.028 0 40 HKAB COc1ccc(C2=Nc3ccc(F)cc3C(c3ccc(OCC(C)C)cc3)=NN2)cc1 6134896 MMKLRZKMMKVWQU-UHFFFAOYSA-N 417.484 5.303 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)ccc21 6248912 MWFZRSUVRDIMEP-UHFFFAOYSA-N 406.913 6.264 0 40 HKAB Cc1c(C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)cnn1C 6527538 LYHZWLYLNHNOQO-OHGDBLIRSA-N 410.521 5.165 0 40 HKAB CCOc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 6630762 XHNYQYBJGWIBRY-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB CCC(=O)N(c1nnc(SCc2nc3ccccc3c(C)c2Cl)s1)C1CC1 7673069 UJXWJEORBACOAK-UHFFFAOYSA-N 418.975 5.246 0 40 HKAB Cc1ccc(-c2csc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)n2)o1 9404334 XJQIOHFKTTUWSE-UHFFFAOYSA-N 417.515 6.241 0 40 HKAB CCOc1ccc(Nc2nc(NCC(C)C)nc3c2cnn3-c2ccccc2)cc1 9573578 BFDMBEBVWDFNTM-UHFFFAOYSA-N 402.502 5.026 0 40 HKAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc4ccccc4n32)cc1 9934503 SRTLTZRRKYXULS-DEOSSOPVSA-N 424.504 5.281 0 40 HKAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1cccc2c(Cl)cccc12 10120076 IMKWUNUJDFRFDG-UHFFFAOYSA-N 412.876 6.478 0 40 HKAB C[C@H](NC(=O)CCNC(=O)c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 10132781 LQMFIYODQRPDGD-KRWDZBQOSA-N 406.913 5.004 0 40 HKAB Cc1ccc(C(=O)Nc2cccc3ccccc23)cc1NS(=O)(=O)c1ccccc1 10329643 KTWDOAPGEHQIIT-UHFFFAOYSA-N 416.502 5.201 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CSc3ccccc3)c2)cc1 10336208 SYEBIUZUJHHVOB-UHFFFAOYSA-N 403.547 5.946 0 40 HKAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccccc2Cc2ccccc2)cc1C 12643339 XQVRETDNRQCHSB-UHFFFAOYSA-N 424.569 6.693 0 40 HKAB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)Nc2ccccc2Cc2ccccc2)cc1 12787703 JDRMNXKPPTVGBE-IBGZPJMESA-N 418.562 5.285 0 40 HKAB O=C(Nc1ccccc1C(=O)NCCSc1ccc(Cl)cc1)c1cccs1 12812587 ZSXMVPNGNNDYNS-UHFFFAOYSA-N 416.955 5.176 0 40 HKAB COc1ccc(NC(=O)c2ccc(CSc3nc(C)cs3)cc2)cc1OC 12917152 CMHNZTDSEKOZEK-UHFFFAOYSA-N 400.525 5.013 0 40 HKAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)N(c1ccccc1)C(=O)N2 13122358 KOTRBTHIJPIPTJ-QFIPXVFZSA-N 414.896 5.976 0 40 HKAB COc1ccc(CCNC(=O)N2c3ccccc3Sc3ccccc32)c(OC)c1 13574561 VNWBPQXFEGTRLY-UHFFFAOYSA-N 406.507 5.259 0 40 HKAB CCc1c(-c2ccc(OC)cc2)nn(Cc2ccc(C)cc2)c1-c1ccc(OC)cc1 17089289 FMAPHAVUAABGLG-UHFFFAOYSA-N 412.533 6.153 0 40 HKAB CCCn1nc(C)c(-c2cc(C(=O)Nc3cc(Cl)c4oc(C)cc4c3)[nH]n2)c1C 19719312 ARDINCRNTUKDLK-UHFFFAOYSA-N 411.893 5.260 0 40 HKAB COc1ccc(Cc2nnc(SCc3c(Cl)cccc3Cl)o2)cc1OC 20760036 QZKRYFPGUHNNRF-UHFFFAOYSA-N 411.310 5.277 0 40 HKAB Cc1ccc(-c2csc3ncc(C(=O)Nc4c(C)cccc4C(C)C)c(=O)n23)cc1 20768233 ZIZDXJGCZNKVMO-UHFFFAOYSA-N 417.534 5.416 0 40 HKAB Cc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(F)cc4F)c3c2c1 21017574 DZKQWSUNXBBYMB-UHFFFAOYSA-N 405.835 6.481 0 40 HKAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 21579404 XWDQKGYSVBGXJW-INIZCTEOSA-N 416.477 5.933 0 40 HKAB Fc1cc2c(c(CSc3nnc(-c4cccnc4)o3)c1)O[C@@H](c1ccccc1)OC2 22533630 WJMLGAANFHUIGJ-NRFANRHFSA-N 421.453 5.171 0 40 HKAB CSc1ccccc1NC(=O)c1cccc(OCc2cn3cccc(C)c3n2)c1 24355160 AHXFXHXWIDGGTK-UHFFFAOYSA-N 403.507 5.196 0 40 HKAB O=C(CSc1nccn1-c1ccccc1)Nc1ccc(Br)cc1Cl 24927648 CLMZPVNZVQAZOP-UHFFFAOYSA-N 422.735 5.019 0 40 HKAB CCCCOc1ccccc1C(=O)NC[C@@H](c1cccs1)N1CCCCCC1 27662472 KQORUJZUJFUQAD-FQEVSTJZSA-N 400.588 5.274 0 40 HKAB COc1cc2sc(NC(=O)c3ccc(OCc4ccccc4)cc3)nc2cc1Cl 32126703 CFYJIHVTZQRQHC-UHFFFAOYSA-N 424.909 5.790 0 40 HKAB O=C(CSc1cccc2ccccc12)Nc1ccc(I)cc1 32691907 ZLXIOOAKMKTZEU-UHFFFAOYSA-N 419.287 5.175 0 40 HKAB C[C@@H](Nc1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(SC(F)F)cc1 32810723 VJEGIVVKZIFPDT-SNVBAGLBSA-N 406.376 5.339 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCC(=O)O)C1 38246250 JBALICPRCDQXRA-WBNKZLQISA-N 416.602 5.998 0 40 HKAB biogenic,in-vitro CC(C)c1ccc(/C=C/c2ccnc3nc(N4CCc5ccccc54)[nH]c(=O)c23)cc1 40388573 ADCLAMCWRXTRNL-FMIVXFBMSA-N 408.505 5.306 0 40 HKAB Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccc(Cl)cc2)no1 44087491 BWIAAINIBFQDBO-UHFFFAOYSA-N 424.913 5.220 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)N[C@@H](CC(C)C)c3ccccc3)cc2)cc1 44903273 DCOYMGDBNSFRSO-VWLOTQADSA-N 403.591 6.805 0 40 HKAB Cc1nc(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)oc1C 55236861 XZMDVYDWQWPCOB-UHFFFAOYSA-N 400.114 5.636 0 40 HKAB O=c1c2sccc2nc(SCc2cc(F)ccc2F)n1Cc1ccccc1F 67259911 NUOHCXVGCDADCL-UHFFFAOYSA-N 418.465 5.216 0 40 HKAB Cc1ccc(C)c(CSc2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)c1 71327562 VINNMPIXNIJAHW-UHFFFAOYSA-N 410.539 5.555 0 40 HKAB C[C@H](CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1)c1ccccc1 72308040 KPCIUGKIUJEIEU-QGZVFWFLSA-N 421.928 5.794 0 40 HKAB Cc1ccc(C)c(OCc2nnc(SC[C@@H](C)C(=O)c3ccc(F)c(F)c3)o2)c1 96006593 SKKGMXWHGJWWOR-CQSZACIVSA-N 418.465 5.155 0 40 HKAB Cc1nn2c(=O)cc(CSc3ccc(Cl)cc3)[nH]c2c1-c1ccc(Cl)cc1 100129052 ZCIHEFRKHFWAAJ-UHFFFAOYSA-N 416.333 5.597 0 40 HKAB COc1c(C)cccc1C(=O)NCC12C[C@@H]3C[C@@H](C1)CC(c1ccc(C)c(C)c1)(C3)C2 100226195 QMBUYIOUHQTFJU-SUZCJKPRSA-N 417.593 5.888 0 40 HKAB COc1ccc(-c2csc(C3=C(O)CN(c4ccc(C(C)C)cc4)C3=N)n2)cc1 102724259 XDLDHYNSONNIDN-UHFFFAOYSA-N 405.523 5.709 0 40 HKAB COc1ccc(OC)c([C@H]2CC3=Nc4onc(C)c4[C@@H](c4ccccc4)C3=C(O)C2)c1 102735063 PYWDCZCQQKGHIC-QMHKHESXSA-N 416.477 5.608 0 40 HKAB COc1cc(COc2c(Cl)cc(C=O)cc2OC)ccc1OCc1ccccc1 106113412 AFGLFDDUKAYCBL-UHFFFAOYSA-N 412.869 5.328 0 40 HKAB Cc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN23)c(C)c1 106617365 KNFIVZHOWWRIOS-GJZUVCINSA-N 412.489 5.317 0 40 HKAB Cc1cccc(N(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)c1C 107603731 OBUXZHVTPNXJKA-UHFFFAOYSA-N 403.906 5.491 0 40 HKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)cc1 224242678 GNZLFXBXKAYUIB-DQEYMECFSA-N 424.573 5.666 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCc1ccc(Cl)c(Cl)c1 225337371 ZYMOXSRPMMZJHD-GOSISDBHSA-N 408.325 5.353 0 40 HKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225696403 NVALBUCMGTZEFF-UHFFFAOYSA-N 418.622 5.357 0 40 HKAB COc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)cc1OC 225767568 ANBUEDMMAFNMDL-QHCPKHFHSA-N 406.551 5.397 0 40 HKAB Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3ccc(-c4ccccc4)cc3)oc12 226269662 QQIQVTNTOMQTJN-UHFFFAOYSA-N 410.395 5.995 0 40 HKAB COc1cccc2c1CCC[C@@H]1O[C@@H]3c4cc(C(=O)O)ccc4OC(C)(C)[C@H]3C[C@@H]21 257258619 KUUHXAWDLOVXDW-RAKJYXHLSA-N 408.494 5.131 0 40 HKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4ccc(C)c(Cl)c4)o3)N21 260769343 LPXUTMZINJLALU-XGRCMKMKSA-N 423.969 6.283 0 40 HKAB Fc1cccc(COc2cccc(CNc3ccc(Br)c(Cl)c3)c2)c1 408553806 BHXBSUHWPXRWCB-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1cccc(F)c1 408604056 CYQFGRDNKCBEQL-UHFFFAOYSA-N 420.311 6.722 0 40 HKAB CC(=O)c1cccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)c1 408625613 XQVZIOVSRUQEKY-UHFFFAOYSA-N 416.864 5.284 0 40 HKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccccc3C)n2)cc1 408694819 MPRTYNVEGKQWMA-UHFFFAOYSA-N 412.493 5.202 0 40 HKAB Cc1ccc(OCCCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 408703463 SBCOQWLHUHRJTG-HXUWFJFHSA-N 416.521 5.284 0 40 HKAB O=C(Nc1cccnc1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408724940 NEIVKBFDRATLPD-UHFFFAOYSA-N 416.484 5.854 0 40 HKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 409173071 LLPPECCTYCAAAZ-RTBURBONSA-N 418.562 5.605 0 40 HKAB Fc1ccccc1COc1ccc(-c2nc3ccccc3s2)cc1Br 409191255 FLIDLMKOEBOQPS-UHFFFAOYSA-N 414.299 6.444 0 40 HKAB Fc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 409198486 BDKRHGHZXQXGEK-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB CC(C)(C)[C@H](NC(=O)c1ccc(Br)cc1)c1nc(-c2ccccc2)no1 526052567 ZZOCWZREXBFVGD-MRXNPFEDSA-N 414.303 5.016 0 40 HKAB FC(F)(F)c1ccc(-c2nnc3sc(COc4ccc(Cl)cc4)nn23)cc1 632763 JJGHEBOAZQHSGT-UHFFFAOYSA-N 410.808 5.104 0 40 HKAB O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Br)cc1 806008 DNUWWLLMFSYSDB-UHFFFAOYSA-N 420.266 5.418 0 40 HKAB CC(C)(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1 1019984 TUCPKJPAZZKQLE-IBGZPJMESA-N 416.502 5.297 0 40 HKAB Cc1nc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)c2c3c(sc2n1)CCC3 1094843 OONRKQQVJKJUMK-UHFFFAOYSA-N 411.596 5.517 0 40 HKAB Cc1cccc2c(SCC(=O)NCc3cccs3)nc(-c3ccc(F)cc3)nc12 1367431 WPMQRRVZOBLWLJ-UHFFFAOYSA-N 423.538 5.214 0 40 HKAB O=c1c(Oc2ccccc2Cl)coc2cc(OCc3cccc(Cl)c3)ccc12 1775098 BUYKMVSXBSSGMT-UHFFFAOYSA-N 413.256 6.471 0 40 HKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)C(c1ccccc1)c1ccccc1 1849208 CLVIVFAOQCBHJP-SFHVURJKSA-N 402.563 5.845 0 40 HKAB CC(C)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2Cl)o1 2420232 SOQWZBUTKQBURH-UHFFFAOYSA-N 417.918 5.156 0 40 HKAB Cc1cccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)c1C 3012983 GCRGIYCKHZDQSK-WBVHZDCISA-N 404.392 5.006 0 40 HKAB Cc1sc2nc(CN[C@H]3CCCc4ccccc43)[nH]c(=O)c2c1-c1ccccc1 3288703 SURDDPLBAWLVPX-IBGZPJMESA-N 401.535 5.127 0 40 HKAB O=C(Oc1ccc2c(=O)c(Oc3ccccc3F)coc2c1)c1ccc(F)cc1F 3328087 NCKPAQWAPRAVHN-UHFFFAOYSA-N 412.319 5.222 0 40 HKAB CC(C)c1ccc([C@@H]2CC(=O)c3cnc(NC(=O)CCc4ccccc4)nc3C2)cc1 4777113 DCEVQCFEFUGFRK-NRFANRHFSA-N 413.521 5.084 0 40 HKAB CCCCCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CCCC3 4815374 LCCUCNKYOSSTJV-UHFFFAOYSA-N 406.555 6.371 0 40 HKAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(C(C)C)cc1 4973337 ONPCCGILGJJVDQ-UHFFFAOYSA-N 417.465 5.039 0 40 HKAB C[C@@]1(Br)C(=O)CC[C@@H]2[C@@H]3CC[C@H](OC(=O)c4ccccc4)[C@]3(C)CC[C@H]21 5275841 HKZMXCLHDQFECZ-CQGLLOLCSA-N 419.359 5.171 0 40 HKAB Clc1ccc(-n2c(SCc3ccccc3)nnc2-c2c[nH]c3ccccc23)cc1 5694662 YFSXMEHMSIJTIG-UHFFFAOYSA-N 416.937 6.361 0 40 HKAB CCn1c(SCc2ccc(C)cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 6144998 WJHITDRJGIJNSB-HNNXBMFYSA-N 414.962 5.043 0 40 HKAB O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 6258330 CXTLPJNQOWDLHG-ZRDIBKRKSA-N 414.848 6.546 0 40 HKAB Cc1ccc(N[C@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)c(C)c1 6794576 IWNQTWHVEFOWHW-OAQYLSRUSA-N 407.876 6.347 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(Cl)c1N1CCCCC1 6896209 BKMFQDHQYIOCDZ-UHFFFAOYSA-N 413.732 5.655 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)cc1 7080139 SZMVXWHLQKKLDM-SFHVURJKSA-N 416.521 5.778 0 40 HKAB COc1cc(CNCc2ccccn2)cc(Cl)c1OCc1ccc(Cl)cc1 7274907 RIZPCBNXEYMJBZ-UHFFFAOYSA-N 403.309 5.266 0 40 HKAB COc1cc2c(cc1/C=C/C(=O)N(c1ccccc1)c1nc(C)cs1)O[C@H](C)C2 7718940 APOLVKQWXMZLMZ-ZNFPLGDCSA-N 406.507 5.162 0 40 HKAB Cc1cc2nc(-c3cccc(NC(=O)COc4ccc(C(C)C)cc4)c3)oc2cc1C 8830850 ZHFVOFKWARNYAU-UHFFFAOYSA-N 414.505 6.253 0 40 HKAB COc1ccc2c(c1)-c1c(sn(-c3cc(Cl)ccc3Cl)c1=S)C(C)(C)N2 9190037 GAUWSMQHUOLRJP-UHFFFAOYSA-N 423.390 6.911 0 40 HKAB CC(=O)c1cc2c(cc1NC(=O)c1ccccc1SCc1ccccc1F)OCO2 9466326 ZSICUHFQIYKTGT-UHFFFAOYSA-N 423.465 5.302 0 40 HKAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C1 12565017 RPWAHBOOVKWPNM-HDICACEKSA-N 405.567 5.340 0 40 HKAB O=C(CCN1c2ccccc2Sc2ccccc21)OCC(=O)c1ccc(Cl)cc1 12636572 YROCOAZPCGRWNH-UHFFFAOYSA-N 423.921 5.759 0 40 HKAB CCOC(=O)c1cc(Cl)c(OCc2csc(-c3ccccc3)n2)c(Cl)c1 12761274 RSNQFGSMEPLNHX-UHFFFAOYSA-N 408.306 5.873 0 40 HKAB COc1ccc2nc(NC(=O)c3ccccc3SCc3cc(C)no3)sc2c1 12946810 FQEDEIAJXSAGHH-UHFFFAOYSA-N 411.508 5.146 0 40 HKAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(C)c1 12993460 VQRCFNVKMHQJMN-UHFFFAOYSA-N 410.901 5.236 0 40 HKAB CCCOc1cccc(-c2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)c1 13550398 NTDKTZIBONZURH-UHFFFAOYSA-N 423.325 5.945 0 40 HKAB O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1ccc(Cl)cc1Cl 13634985 VFBHJVPSJALFMY-UHFFFAOYSA-N 417.679 6.707 0 40 HKAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N[C@@H]1CCOc2ccccc21 14780415 XFQDIWWLKIDVLH-QGZVFWFLSA-N 417.292 5.221 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)NCc1ccc(Cl)cc1Cl 15303767 FUCQFQJVEOSCMG-UHFFFAOYSA-N 412.679 5.210 0 40 HKAB COc1ccc(-c2csc3ncnc(NC[C@@H](c4ccccc4)N(C)C)c23)cc1 15346026 PZZBWJYZYPMAPK-FQEVSTJZSA-N 404.539 5.082 0 40 HKAB CCOc1cc(/C=C2/SC(=N)NC2=O)ccc1OCc1c(Cl)cccc1Cl 15932113 SBIAMBCAQFIXRW-RQZCQDPDSA-N 423.321 5.110 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 16576088 OKWAMYUQJJCLMG-BVIHDFQZSA-N 408.369 5.736 0 40 HKAB Cc1ccc(C)c(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)c1 17088125 JJQMPAGKNMQWNS-UHFFFAOYSA-N 408.879 6.814 0 40 HKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cccc5ccccc45)c3)oc2cc1C 21578682 CRQJNNHHRMNEHF-UHFFFAOYSA-N 406.485 6.826 0 40 HKAB O=C(NCCSCc1ccsc1)c1ccccc1SCc1ccsc1 21963141 PJPFPPIFKKFSCI-UHFFFAOYSA-N 405.635 5.765 0 40 HKAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ncc(Cl)c(Cl)c1Cl 21986748 RADJJTPLGIIAAM-UHFFFAOYSA-N 419.051 5.102 0 40 HKAB CN1CCN(CCS[C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 22862314 JZTQXLGXJLBLFI-OAQYLSRUSA-N 405.032 5.069 0 40 HKAB Cc1ccc(N(Cc2cccs2)C(=O)c2ccccc2Br)cc1C 27740318 JNQLGNHXKIAWNW-UHFFFAOYSA-N 400.341 5.974 0 40 HKAB CC(C)Cc1ccc([C@H](NCc2nc(O)c3oc4ccccc4c3n2)C(C)C)cc1 32759984 WDLFUDPHZVVIJG-JOCHJYFZSA-N 403.526 5.767 0 40 HKAB Cc1cc2nnc(S[C@@H](C)c3nc4ccccc4n3C(F)F)n2c2ccccc12 32879810 OIMFCIJFPGNBRG-ZDUSSCGKSA-N 409.465 5.789 0 40 HKAB Cc1[nH]c2ccccc2c1/C=C1\SC(=O)N(Cc2ccc(F)cc2Cl)C1=O 38186479 CWGSYZXRAYQLFZ-NVMNQCDNSA-N 400.862 5.505 0 40 HKAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1cccc(Cl)c1 40050320 PSBPYZAMXHAJAG-UHFFFAOYSA-N 418.924 5.059 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3C)n2)cc1Cl 46012693 SREQWXMVUYKHNC-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CC(=O)c1ccc(-c2ccc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)o2)cc1 50548009 QJAMPEGKPARION-NDENLUEZSA-N 404.447 5.243 0 40 HKAB Cc1ccc2nc(N3CN(c4nc5ccc(C)cc5s4)CN(C(C)C)C3)sc2c1 54147359 SHSASPSKFAMVNK-UHFFFAOYSA-N 423.611 5.432 0 40 HKAB CN(C(=O)c1ccc(Oc2ccccc2)cc1)[C@@H](c1cccc(F)c1)c1ccccn1 58377917 MJJBATRFVDKGOI-VWLOTQADSA-N 412.464 5.875 0 40 HKAB Clc1ccc(-c2cc3c(N4CCN(c5cccc(Cl)c5)CC4)nccn3n2)cc1 67284804 LZPIFMXRPNKWDB-UHFFFAOYSA-N 424.335 5.030 0 40 HKAB CCc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc23)cc1 72328458 ONQAHEMVQFNJCV-UHFFFAOYSA-N 407.945 5.689 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CCCC(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 90377486 IVFWZYOGAYVLRF-FHJOOOADSA-N 408.623 6.165 0 40 HKAB O=C(CCn1ccc2c(Cl)cccc21)NCCc1c[nH]c2ccc(Cl)cc12 94992981 GPGZUKNFFYJFNY-UHFFFAOYSA-N 400.309 5.178 0 40 HKAB CCOc1cccc(Br)c1-c1c(Br)cccc1OCC 95486390 PEEQILYTUUHYGL-UHFFFAOYSA-N 400.110 5.676 0 40 HKAB C[C@H]1[C@@H]2[C@@H]3OC[C@]1(COC(=O)NC1CCCCC1)[C@H](C)C[C@@]2(C)Oc1ccccc13 100562521 HTEHTVFZNJDZHV-VXUUCIQQSA-N 413.558 5.246 0 40 HKAB biogenic C=C1/C(=C\C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C\[C@H](C)C(C)C)C[C@@H](O)C[C@@H]1O 102249898 HKXBNHCUPKIYDM-MLZXKOKZSA-N 412.658 6.612 0 40 HKAB COc1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 113958734 FASGTNRMRODCPZ-UHFFFAOYSA-N 414.549 5.402 0 40 HKAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCS[C@@H](c2ccccc2)CC1 206986849 RJDYYUVYSCZFDP-HSZRJFAPSA-N 401.531 5.238 0 40 HKAB O=C(O)/C(=C/c1ccc(-c2cccc(C(=O)O)c2)o1)Sc1nc2ccccc2o1 211500158 YZMDWMCIXLZIPY-WQRHYEAKSA-N 407.403 5.004 0 40 HKAB CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 223049408 HFXMKVHNSKNXQH-RUZDIDTESA-N 418.581 5.043 0 40 HKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)c1ccccc1 223168162 DDZSZXMHBPLURW-RUZDIDTESA-N 413.517 5.593 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1cccc(C)c1 224463057 HCRUUTSWALZSFK-SFHVURJKSA-N 407.485 5.603 0 40 HKAB CCN(CCCNC(=O)c1cc(Br)ccc1Cl)c1ccc(C)cc1 225076069 WLNCJYVNUMTIKQ-UHFFFAOYSA-N 409.755 5.057 0 40 HKAB S=C(Nc1cccnc1Sc1ccc(Cl)cc1)NC1CCCCCCC1 225191958 IHELQDHHZKAKCP-UHFFFAOYSA-N 406.020 6.286 0 40 HKAB Fc1cc(Br)ccc1NC(=S)NCCCc1ccc(Cl)cc1 225544452 WATXGPYNKADMNK-UHFFFAOYSA-N 401.732 5.161 0 40 HKAB COC(=O)c1cc(NC(=S)NC2(c3ccc(C)cc3)CCCC2)ccc1Cl 225861359 PSYZPPYOCVXHRL-UHFFFAOYSA-N 402.947 5.191 0 40 HKAB Clc1ccc(COc2ccc(-c3nc4cc(-c5ccccc5)ccc4o3)cc2)cc1 226295266 NYKJGUUBPYJVCY-UHFFFAOYSA-N 411.888 7.394 0 40 HKAB CC(C)C[C@H]1CN(Cc2ccc(N3CCCC3=O)cc2)CC[C@H]1Nc1ccccc1 257249965 JKLATANSRZDDHN-WIOPSUGQSA-N 405.586 5.162 0 40 HKAB Clc1ccc(CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)c(Cl)c1 408529091 ZXDBFKOOGYLLJU-UHFFFAOYSA-N 405.137 6.378 0 40 HKAB Cc1cc(Br)ccc1NCc1ccccc1OCc1ccc(F)cc1 408610916 PBQVEWMNTODEOS-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB Cc1cc(C)cc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1 408648674 XZJUCHDPNCYTFF-UHFFFAOYSA-N 410.473 5.314 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(Cl)c3C)n2)cc1 408695851 TZRJLEKVZTYDPE-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cccc(C)c1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 408699265 VWDSEXSZALXBGT-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB COc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 409271809 NHPWVFVNMHCKJX-UHFFFAOYSA-N 410.901 5.287 0 40 HKAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)C1c2ccccc2Oc2ccccc21 1775966945 UVCRJVYYEFENKZ-KRWDZBQOSA-N 417.486 5.096 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3Br)c3ccccc3n2)s1 997476 UARWOTIGJWTZFE-UHFFFAOYSA-N 423.335 6.287 0 40 HKAB Cc1c(OCc2cc3c(cc2Cl)OCO3)ccc2c(C(F)(F)F)cc(=O)oc12 1105759 HFFZPEYNQDQYMW-UHFFFAOYSA-N 412.747 5.081 0 40 HKAB COc1ccc(NC(=S)N2CCS[C@@H]2c2c(F)cc(F)cc2F)cc1Cl 1441302 ZWLHMOJGQUUJKJ-MRXNPFEDSA-N 418.893 5.210 0 40 HKAB CCCCC[C@H](CN(C)C)C(=O)C[C@H](SCC)c1ccc(Cl)c(Cl)c1 1573428 BMJQGJIEPWCNSQ-UZLBHIALSA-N 404.447 6.505 0 40 HKAB COC(=O)c1ccc(COc2c(-c3ccc(C)cc3)oc3ccccc3c2=O)cc1 1791327 XUKRNAIKBYNXHT-UHFFFAOYSA-N 400.430 5.134 0 40 HKAB CCOC(=O)c1ccc(N[C@H](c2ccccc2OC)c2c(C)[nH]c3ccccc23)cc1 1796975 AUSNZUBYICPJHQ-RUZDIDTESA-N 414.505 5.863 0 40 HKAB CC(C)Cc1nc2sc3c(NCCc4ccccc4)ncnc3c2c2c1CCCC2 1827871 DZORZUFEWBTTNX-UHFFFAOYSA-N 416.594 5.971 0 40 HKAB COc1ccc([C@@H](CCNC(=O)C[C@@H](Cc2ccccc2)c2ccco2)C(C)C)cc1 2092470 MIXSEIOQJWDTQT-NOZRDPDXSA-N 419.565 5.951 0 40 HKAB biogenic Cc1ccc2c(c1)[C@](C)(c1ccccc1)CC(C)(C)N2C(=O)Nc1cccc(Cl)c1 2190393 OJHGGVYPLMAQCE-SANMLTNESA-N 418.968 7.175 0 40 HKAB CC1CCN(c2ncnc3c2sc2nc(C(C)C)c4c(c23)CC(C)(C)OC4)CC1 2296477 VZAMQFYLNZQQPO-UHFFFAOYSA-N 410.587 5.451 0 40 HKAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(C)cc1 2399086 MEDJNWGRYCQXAY-FUFSCUOVSA-N 408.482 5.812 0 40 HKAB CCN(CC)C(=O)CSc1nc(-c2ccccc2)nc2c1Cc1cc(C)ccc1O2 2688001 NJDBYFWAYYZHBT-UHFFFAOYSA-N 419.550 5.109 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccccc4C)ncnc32)cc1Cl 2714237 CBZUXORJPPCOGN-UHFFFAOYSA-N 424.935 7.101 0 40 HKAB Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2OCc2ccccc2)c1 2745343 KKXFSYJBXPBZAZ-MHZLTWQESA-N 420.512 6.345 0 40 HKAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(-c3ccccc3)cc2)cc1 3339394 JOWREKRJVPNNOZ-AREMUKBSSA-N 406.485 6.133 0 40 HKAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnc(-c2ccco2)o1)c1ccccc1 3354914 BZLWBAMOCIIUDF-HXUWFJFHSA-N 401.447 5.527 0 40 HKAB Cc1ccc(Nc2nnc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)s2)cc1 4063981 HMEXLHRXCKOSEV-UHFFFAOYSA-N 404.278 5.670 0 40 HKAB Cc1ccccc1-c1nsc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1 4167469 SEWJYZRBSGJTIP-UHFFFAOYSA-N 409.458 5.263 0 40 HKAB Brc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1cccs1)O2 4309622 OITZGPRIRGBLFZ-YLJYHZDGSA-N 411.324 5.753 0 40 HKAB Cc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3c(C)cccc23)cc1C 4507236 HXCNAMFNZDGLIK-UHFFFAOYSA-N 409.485 5.867 0 40 HKAB Cc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1cccc(Cl)c1 4518184 SKPCGLFHPADGQJ-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)CCC3 4735763 DYZFUKUFTIPXSB-UHFFFAOYSA-N 411.523 5.359 0 40 HKAB O=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1 4855940 MYJYIGFBTGHZFJ-UHFFFAOYSA-N 409.892 5.058 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCCC2=CCCCC2)cc1 5012079 XDTQUYTWJCSFHK-UHFFFAOYSA-N 422.554 5.041 0 40 HKAB OC(c1ccccc1)(c1ccccc1)[C@@H]1/C(=C/c2ccccc2)[C@H]1Cc1ccccc1 5014911 FLLRDUYIVVAICX-UNBXIJNHSA-N 402.537 6.495 0 40 HKAB CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@H]2C3=CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 5468405 JZVFJDZBLUFKCA-IDFHWOFJSA-N 412.702 7.801 0 40 HKAB biogenic O=C(Nc1ccccc1)Nc1[nH]nc2nnc(-c3ccccc3)c(-c3ccccc3)c12 5646855 BUUXBIIFLQVFAR-UHFFFAOYSA-N 406.449 5.331 0 40 HKAB biogenic CCc1cc(I)ccc1NC(=O)c1cccc2ccccc12 6168674 BIUQJVFCIGSIBH-UHFFFAOYSA-N 401.247 5.259 0 40 HKAB O=C(Nc1nnc(C2CC2)s1)c1oc2ccccc2c1CSC1CCCCC1 6345082 DOPYHMYMMLUCQA-UHFFFAOYSA-N 413.568 5.980 0 40 HKAB Cc1ccc(-c2nnc([C@H](C)Sc3nnc(-c4ccc(C(C)(C)C)cc4)o3)o2)cc1 7107095 BAZFUVMYABYGNO-HNNXBMFYSA-N 420.538 6.246 0 40 HKAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 7141168 QKCXBWJFIAIRSX-FXAWDEMLSA-N 406.551 5.796 0 40 HKAB CN(Cc1ccsc1)C(=O)CSc1nc(-c2cccs2)nc2ccccc12 7292633 YGLFSCBBTZMVEM-UHFFFAOYSA-N 411.577 5.171 0 40 HKAB C[C@@H](Sc1nc(-c2ccccc2)cs1)C(=O)Nc1ncc(Cl)cc1Cl 7814685 RXYOERUVHLWBSJ-SNVBAGLBSA-N 410.351 5.631 0 40 HKAB Cc1ccc(Sc2ncccc2C(=O)NCCC23CC4CC(CC(C4)C2)C3)cc1C 8150718 XHPYJNUGUMRXHL-UHFFFAOYSA-N 420.622 6.186 0 40 HKAB COc1cc(C)c(C[C@H]2SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1C(C)C 8333845 WVJRZPNZPVSDJL-HXUWFJFHSA-N 417.958 5.587 0 40 HKAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 8475449 ZEUPTDMXMSBSKG-CQSZACIVSA-N 404.853 5.231 0 40 HKAB CCn1c(SCCCC(=O)c2ccc(Br)cc2)nnc1-c1ccco1 8620489 RRWZUAXCEPQWLN-UHFFFAOYSA-N 420.332 5.076 0 40 HKAB COc1ccc(-c2c(-c3ccc(OCc4ccc(F)cc4)cc3O)n[nH]c2C)cc1 8973452 CXDKPNDOSZXUGC-UHFFFAOYSA-N 404.441 5.484 0 40 HKAB Cc1ccccc1-c1noc(CSc2nnc(-c3ccc4c(c3)CCCC4)n2C)n1 9193298 KBMWYXSNDKBECW-UHFFFAOYSA-N 417.538 5.012 0 40 HKAB Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2ccc(Cl)cc2Cl)CSC3)c1 9404463 SFJONYJJTALKEW-UHFFFAOYSA-N 418.349 5.795 0 40 HKAB CCOc1cccc2sc(N(CCCN(C)C)C(=O)c3ccc(Cl)s3)nc12 12140984 GVGSCLMVFQHMRD-UHFFFAOYSA-N 423.991 5.008 0 40 HKAB Cc1nc(-c2nc(N(C)CCc3ccccn3)ncc2-c2ccsc2)sc1C 12222923 YVIBFCBQESLPLT-UHFFFAOYSA-N 407.568 5.019 0 40 HKAB Cc1cccc(NC(=O)c2nnn(-c3ccc4noc(-c5ccccc5)c4c3)c2C)c1C 12274471 LHNLZDJGEGLESD-UHFFFAOYSA-N 423.476 5.253 0 40 HKAB COc1ccccc1CCNC(=O)Cc1cnc(-c2c(Cl)cccc2Cl)s1 12321738 YYQKPWMIFUQIRQ-UHFFFAOYSA-N 421.349 5.027 0 40 HKAB C/C=C/c1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc(OC)c1OC 12998732 SOWDOAOFVVYOFJ-AUNFYEFLSA-N 422.550 5.366 0 40 HKAB CCOc1c(Cl)cc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC 13042365 QHGAZLBJUNRRBC-VAWYXSNFSA-N 415.961 6.646 0 40 HKAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)Cc1ccccc1Cl 13109564 SGJAYCUXEZVTCK-UHFFFAOYSA-N 416.352 5.056 0 40 HKAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1cccc2ccccc12 13306010 FUEMMHBCHUEWAO-TXFWVUOCSA-N 401.465 5.236 0 40 HKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cc3cccc(OC)c3)n2)cc1 13960454 CLGDHAOBRKRJLQ-UHFFFAOYSA-N 400.478 5.291 0 40 HKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cn3nc(C)c(Cl)c3C)n2)cc1 13960763 SCUNLRCXLHDKEG-UHFFFAOYSA-N 422.916 5.207 0 40 HKAB Cc1cc(-c2cc(C(=O)NOCc3ccccc3)c3cnn(C(C)C)c3n2)c(C)s1 14023647 QCBCIVDJUJZSKQ-UHFFFAOYSA-N 420.538 5.219 0 40 HKAB CCOC(=O)c1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 14291403 ORXZNCGRRYTDCO-UHFFFAOYSA-N 414.255 5.138 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1nnc(-c2cc(Cl)ccc2Cl)o1 16048045 UKEAISRKIBQTJM-UHFFFAOYSA-N 414.701 5.428 0 40 HKAB Clc1ccc(OCc2ccccc2Cl)c(CNCc2ccc3c(c2)OCO3)c1 16450021 BIWGSLJQUALZCW-UHFFFAOYSA-N 416.304 5.591 0 40 HKAB Cc1ccc(Nc2nc(NCc3ccccc3)nc3c2cnn3-c2ccccc2)cc1C 17052982 PHFXJMLMGLTLBO-UHFFFAOYSA-N 420.520 5.788 0 40 HKAB Cc1cccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c1C 17089492 SUHWOMJBVXGPDA-UHFFFAOYSA-N 413.340 5.346 0 40 HKAB Cc1cc(C(=O)N2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)sc1C 19124705 ARZSZIFPHXYHNR-CYBMUJFWSA-N 405.470 5.167 0 40 HKAB O=C(OC1CCCCC1)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 20412177 VYXUBWIGQLRSMM-UHFFFAOYSA-N 423.896 6.342 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 20455538 NWXYEDAQDGIMMU-OAQYLSRUSA-N 404.510 5.164 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 20610603 KXPWJTWOLRUDQF-FRKPEAEDSA-N 424.548 6.319 0 40 HKAB COc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(F)cc4F)c3c2c1 21017612 SPYRVUPXSAHGOY-UHFFFAOYSA-N 421.834 6.181 0 40 HKAB Cc1cc(N2CCC(C)CC2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 21150391 CMCZKYMZGDXPFZ-UHFFFAOYSA-N 408.855 5.613 0 40 HKAB C[C@H](NC(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1)c1cccc(C(F)(F)F)c1 25760522 GUZPESBIADQQBT-QMMMGPOBSA-N 418.293 5.062 0 40 HKAB Cc1c(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)oc2ccccc12 28289696 GQSDVOQPQSOPFL-QFIPXVFZSA-N 404.554 5.606 0 40 HKAB Cc1c(C(=O)Nc2ccccc2)sc2c1[C@@H](c1ccc(C(=O)O)cc1)CC(O)=N2 32094099 TYBWZOZDZKYYLB-MRXNPFEDSA-N 406.463 5.131 0 40 HKAB O=C(NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccccc1Cl 32127702 OUBGNSIICPVKPQ-UHFFFAOYSA-N 416.742 5.383 0 40 HKAB Cc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccccc4Cl)n3)c2)cc1 33327289 JYYHQCLQTOPXAX-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CCOc1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38834300 BVCKCEVOOQFWPA-UHFFFAOYSA-N 407.341 5.243 0 40 HKAB Cc1c(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cnn1-c1ccccc1 40017298 CCKSUEHQOJAPLK-XMMPIXPASA-N 420.516 5.224 0 40 HKAB COc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)cc1 41076850 LUCUZVRXGAAYRH-UHFFFAOYSA-N 417.534 5.132 0 40 HKAB Cc1nnc(SCC(=O)Nc2ccccc2Cc2ccccc2)n1C1CCCCC1 57293370 GGZYIKLJAJOZAH-UHFFFAOYSA-N 420.582 5.413 0 40 HKAB CCc1cccc(C)c1NC(=O)N1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 58392320 IQWXOJLIDJVMNM-NRFANRHFSA-N 410.558 5.594 0 40 HKAB CC1(C)[C@@](C#N)(C=C(Cl)Cl)[C@@]1(Cc1cccc(Oc2ccccc2)c1)C(=O)O 59441006 KTIUJQVCYUDHCV-VXKWHMMOSA-N 416.304 5.961 0 40 HKAB CC1CCC(N2CCC(N(C)C(=O)Nc3nnc(C4CCCCC4)s3)CC2)CC1 65609478 GAFCDLIOXYPJAG-UHFFFAOYSA-N 419.639 5.093 0 40 HKAB CC[C@H](O)C[C@H](O)CC[C@H]1[C@@H](C)C=CC2=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@@H]21 67665400 DUYNPSLBGDLWAQ-ZFTCBNFESA-N 406.607 5.041 0 40 HKAB in-vitro Cc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2c2cccc(Nc3ncc(C)s3)n2)cc1 72375847 LZECONOTLQXVIE-HXUWFJFHSA-N 420.582 5.540 0 40 HKAB Cc1ccc(-c2nc3c(Br)c(N)c(Br)c(C)c3o2)cc1C 73639375 DKEJGXUXNNZOBG-UHFFFAOYSA-N 410.109 5.527 0 40 HKAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Sc2ccc(Cl)cc2)cc1 100394214 LAKVKYNDFCWXOZ-UFOPBENGSA-N 407.922 5.049 0 40 HKAB CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(C(C)C)cc4)c(C)s3)C(=O)[C@@H]21 100573905 YNPHMVQAAKOGKZ-QCFAMHMHSA-N 420.578 5.724 0 40 HKAB COc1ccc(OC)c([C@@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)c1 102527662 VVAXMPPRLMZRFD-DEOSSOPVSA-N 406.526 6.192 0 40 HKAB BrC1=C(Br)C2(SCCS2)[C@@H]2C[C@@H]1c1ccccc12 103843244 RHKMQBSXYARXQX-GHMZBOCLSA-N 404.192 5.449 0 40 HKAB CCCOc1c(Br)cc(Br)cc1CNc1ccc(F)cc1 106993561 PHOFNXBFZJRLEO-UHFFFAOYSA-N 417.116 5.752 0 40 HKAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CCC[C@H]1C 110554722 WWXUKUSAZPUNND-WWMYMODYSA-N 401.591 5.379 0 40 HKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](C5(C)OCCO5)CC[C@]4(C)[C@H]3CC[C@]12C 118914917 GFXBFUNNPOLAPC-SGLYVMGASA-N 404.591 5.340 0 40 HKAB O=C(Nc1ccccc1)/C(=C\c1cccnc1Cl)C(=O)Nc1cccc(Cl)c1 215738359 SKPQBVQJBWWGRH-LDADJPATSA-N 412.276 5.049 0 40 HKAB CC(C)c1ccc(CCCNC(=O)CSCc2ccc(Cl)cc2Cl)cc1 222730090 QPRFILHDCXXAEO-UHFFFAOYSA-N 410.410 6.099 0 40 HKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21 222872194 OJVUBAWASZSPKD-VQTJNVASSA-N 401.934 5.696 0 40 HKAB Fc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223107794 PVAKJDFGSSPBFD-DHIUTWEWSA-N 420.557 5.317 0 40 HKAB CCC1(CC)C[C@H](NC(=O)C2CCN(Cc3ccccc3)CC2)c2ccccc2O1 223743193 WIXXKVHJVSAQBV-QHCPKHFHSA-N 406.570 5.097 0 40 HKAB CC(C)c1ccccc1OCCNC(=O)c1ccc(CSc2ccccc2)cc1 223746032 AEELIKJEKDFSRJ-UHFFFAOYSA-N 405.563 5.911 0 40 HKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1 223825391 JUUMEORCEZGELE-YADHBBJMSA-N 406.555 5.040 0 40 HKAB COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccc(C(C)(C)C)cc1 224180555 HEEBHUZCMVKIQP-UHFFFAOYSA-N 423.940 6.477 0 40 HKAB COc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccc2ccccc2c1 224312139 HVRZNZTWYHYZDF-UHFFFAOYSA-N 401.437 5.819 0 40 HKAB CCCCOCc1cc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1OC 224442434 JZLPHXXUFDGOHB-UHFFFAOYSA-N 421.562 6.415 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccc(C(C)(C)C)cc1 224520619 ZXALRFMBOWFZMU-UHFFFAOYSA-N 421.512 6.353 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)CC(c3ccccc3)c3ccccc3)ccc21 225158996 JLYCVJZDMORJGM-UHFFFAOYSA-N 416.546 5.805 0 40 HKAB Cc1ccc([C@@H](NC(=O)COc2cc(C)ccc2C(C)C)c2ccccc2)c(C)c1 225260334 DDTZYOLASAWOAG-MHZLTWQESA-N 401.550 6.020 0 40 HKAB COc1ccc(C2(C(=O)Nc3cc(C)c(OCC(C)C)c(C)c3)CCCCC2)cc1 225560347 YWXRIWSRXHTJMR-UHFFFAOYSA-N 409.570 6.187 0 40 HKAB COc1ccc(NC(=O)C(Cc2ccccc2)(Cc2ccccc2)c2ccccc2)cc1 225944005 RZXGAHOVJQRYJC-UHFFFAOYSA-N 421.540 6.057 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1Cl 408627607 MHQXGQDQOGYRBE-HNNXBMFYSA-N 401.963 5.154 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(C)cc2C)c1 408699151 ROCVCMBRBJPLCN-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc3c(c2)OCO3)C1=O 408800955 QLCXKCKXRWDYAN-NSIZPICVSA-N 421.542 5.469 0 40 HKAB CCCc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccc(OC)c(OC)c1 408826344 JENVBYVKYYSEEV-UHFFFAOYSA-N 416.930 5.686 0 40 HKAB O=C1S/C(=C/c2ccccc2Br)C(=O)N1CCCc1ccccc1 409129053 UCDMVCXXRNJMJK-GHRIWEEISA-N 402.313 5.118 0 40 HKAB COc1cccc(-c2n[nH]cc2-c2nc(-c3ccc(OCc4ccccc4)cc3)no2)c1 575605533 BCFOQEIEHJBGFU-UHFFFAOYSA-N 424.460 5.381 0 40 HKAB Cc1cc2nnc(SCC(=O)Nc3c(Cl)cccc3Cl)n2c2ccccc12 710203 NTSHMPCMDBFQAU-UHFFFAOYSA-N 417.321 5.229 0 40 HKAB CC1=CC(C)(C)N(S(=O)(=O)c2ccc(C)cc2)c2cc(Br)ccc21 835917 YGOBRIOPXPRVCU-UHFFFAOYSA-N 406.345 5.148 0 40 HKAB O=C(c1ccccc1F)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 882086 GWEOXHOEDBTHKO-UHFFFAOYSA-N 402.494 5.839 0 40 HKAB O=C(O)CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1 1064512 IIQDAYIWPCEPHY-QHCPKHFHSA-N 418.880 5.269 0 40 HKAB COc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)nn2-c2ccccc2)cc1 1720005 GYUFOVHIHAVGFL-UHFFFAOYSA-N 402.497 6.882 0 40 HKAB O=c1ncn2nc(Sc3ccccc3)ccc2c1-c1c(Cl)cccc1Cl 2004431 HVIHYFPILKEGDC-UHFFFAOYSA-N 400.290 5.215 0 40 HKAB biogenic,in-vitro COc1ccc(COc2ccc3cc(-c4ccc(OC)c(OC)c4)c(=O)oc3c2)cc1 2132130 IHVHHEMBJCPIKM-UHFFFAOYSA-N 418.445 5.065 0 40 HKAB biogenic CCCCC[C@@H](C)NC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12 2736700 UJRAQLGLRMIOLQ-QGZVFWFLSA-N 406.526 5.618 0 40 HKAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)c1 2750095 HLKUWIJWCIUXCN-UHFFFAOYSA-N 412.489 5.788 0 40 HKAB COc1ccc2c(c1)c(C(=O)CNc1nc(C)cs1)c(C)n2Cc1ccccc1 3150603 YSXJRCYLFJAQFI-UHFFFAOYSA-N 405.523 5.066 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=S)NCc4ccc(Cl)cc4)cc3)sc2c1 3164203 FICCZXSNAOUOCV-UHFFFAOYSA-N 423.994 6.412 0 40 HKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1Oc1ccccc1F 3192907 OULCFHMXPIMLAM-ZRDIBKRKSA-N 402.252 6.577 0 40 HKAB Oc1cc2c(cc1Cl)C1(CCCC1)[C@H]1CCC[C@]1(c1cc(Cl)c(O)cc1O)O2 3627466 CBWKENFMNUUSAG-IFMALSPDSA-N 421.320 6.010 0 40 HKAB COc1ccc(CN(CC[C@@]2(CCC(C)C)CCO[C@H](C(C)C)C2)C(C)=O)cc1 4073173 MUPWDPMVVFJZEV-DQEYMECFSA-N 403.607 5.691 0 40 HKAB biogenic CCn1c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nc2ccccc21 4289616 MRGNSNFROQVYRP-UHFFFAOYSA-N 413.852 5.459 0 40 HKAB COc1ccc(-c2c(C)s/c(=N\Cc3ccccc3)n2-c2ccc(C)cc2)cc1 4614775 IXNRQLFKCHSKJW-QPLCGJKRSA-N 400.547 5.932 0 40 HKAB CCc1ccc(-c2nn(-c3ccc(OC)cc3)c3c2cnc2ccc(OC)cc23)cc1 4970261 WQLSWDJHRPMICP-UHFFFAOYSA-N 409.489 5.820 0 40 HKAB CN1C[C@H](C(=O)c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 5698955 GUAHHIHOYRGRSC-ZRBLBEILSA-N 403.909 5.325 0 40 HKAB Cc1ccc(C(=O)N2N=C3/C(=C/c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)cc1 5745392 PBVHQQMSZXLLDR-NNDHNKOGSA-N 406.529 6.432 0 40 HKAB CCCSC1=NOC2=N[C@H](c3ccc4ccccc4c3)Nc3ccccc3C2=N1 5899818 QGSAUQYBAVDWQC-OAQYLSRUSA-N 400.507 5.596 0 40 HKAB COc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 6208553 RNMDUDXQCWOLJE-LJQANCHMSA-N 404.897 5.392 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 6225749 XHLCAVGSKFQHKA-UHFFFAOYSA-N 422.550 5.173 0 40 HKAB CCc1ccccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 6225912 ZRZVVPJFUXJKDJ-UHFFFAOYSA-N 409.363 5.897 0 40 HKAB O=C(c1ccccc1Cl)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 6280975 XHRJOVRUGHDEQX-HSZRJFAPSA-N 412.880 5.275 0 40 HKAB CN(C)c1ccc(N2C(=O)/C(=C\c3cccc(C(F)(F)F)c3)SC2=S)cc1 6319903 MLUJCBQPFZTDCH-LFIBNONCSA-N 408.470 5.177 0 40 HKAB C[C@@H](Sc1nnc(NCc2ccccc2)s1)c1nnc(-c2cccs2)o1 6842415 OJVAFXCPXJMPJO-LLVKDONJSA-N 401.542 5.115 0 40 HKAB Cc1cc(/C=C2/C(=O)N(C)c3ccccc32)c(C)n1-c1ccc(C2CCCCC2)cc1 6961625 ZRGUMCWOAKDZJA-NLRVBDNBSA-N 410.561 6.659 0 40 HKAB COc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 6965547 AZHRSGRYNXLDSR-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB Cc1cccc(-n2ccnc2SCC(=O)Nc2c(Cl)ccc(C)c2Cl)c1 7061663 ZATFVEUHRTUFDR-UHFFFAOYSA-N 406.338 5.527 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)NCc1nc(-c2ccc(Cl)cc2)no1 7759774 MFXZKSZCAJLZRH-UHFFFAOYSA-N 417.896 5.228 0 40 HKAB CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc(C)cc(C)c4)c3)nc2c1 8087664 XUNUCCCMCAFIGG-UHFFFAOYSA-N 404.897 6.580 0 40 HKAB Cc1c(Cl)cccc1-n1nc(C(=O)NC2CCCCC2)nc1-c1ccc(F)cc1 8476659 CGGVIZPRPLKIQK-UHFFFAOYSA-N 412.896 5.098 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1C 8494897 SETAHXISOFOKPV-WOJBJXKFSA-N 416.521 5.200 0 40 HKAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 9062877 UBAZNNSLZCNGMW-UHFFFAOYSA-N 400.522 5.638 0 40 HKAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 9345907 YUPCHKMISOYKJP-UHFFFAOYSA-N 424.287 5.253 0 40 HKAB COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(C)cc2)c1 9374463 GVJOLRMQUSHTGA-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB O=C([C@H](Sc1nnc(-c2cccs2)n1C1CC1)c1ccccc1)N1CCCCC1 9497794 ZPMANYXGLFLPQC-LJQANCHMSA-N 424.595 5.187 0 40 HKAB Cc1cccc([C@H]2CC(O)=Nc3c2c(-c2ccccc2)nn3-c2nc(C)cc(C)n2)c1 9531618 ZCZUWMIFSKSWSB-HXUWFJFHSA-N 409.493 5.378 0 40 HKAB O=C(Nc1ccnn1Cc1cccs1)c1sc2cccc(Cl)c2c1Cl 12321495 FCXIVKFXAIRBAN-UHFFFAOYSA-N 408.335 5.767 0 40 HKAB COc1cccc(CCC(=O)N[C@@H](C)Cc2ccc3oc4ccccc4c3c2)c1OC 12401831 VVYCAAHPOPWYCZ-KRWDZBQOSA-N 417.505 5.283 0 40 HKAB O=C(Nc1ccc(F)cc1Cl)c1cn(Cc2ccccc2)nc1-c1ccccc1 12748141 GDSQZLFZXAIBRE-UHFFFAOYSA-N 405.860 5.643 0 40 HKAB O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1ccc2ccccc2c1 12774393 XVKMFLOIVIUPGV-UHFFFAOYSA-N 417.490 5.285 0 40 HKAB CCOc1ccc(-c2nc(Cn3c(-c4cscn4)nc4ccccc43)cs2)cc1 13114860 MHDSGVWXTMONFC-UHFFFAOYSA-N 418.547 5.730 0 40 HKAB CCOc1ccccc1CCCNC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 13667953 XFUVVOJNCWKVEV-LKUDQCMESA-N 415.533 5.384 0 40 HKAB O=C(CSCc1c(F)cccc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1 14155351 ZXDATNKQFHWXTE-UHFFFAOYSA-N 412.235 6.023 0 40 HKAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1cccc(-c2nc3ccccc3s2)c1 14184544 GBGKNCDIYGBNKR-LJQANCHMSA-N 400.459 5.204 0 40 HKAB CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1cc(C)ccc1C 21787451 GYVMDKPRLNDOEP-QHCPKHFHSA-N 405.542 5.196 0 40 HKAB Cc1ccc(S[C@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)cc1 21954266 UGKABTRPEKPCBE-CQSZACIVSA-N 401.582 5.258 0 40 HKAB C[C@@H](OC(=O)c1ccccc1SCc1cscn1)C(=O)c1c[nH]c2ccccc12 22524763 OXEYGFPSZITCOR-CQSZACIVSA-N 422.531 5.345 0 40 HKAB Cc1ccc(SC(=O)N[C@@H](Sc2ccc(C)cc2)C(Cl)(Cl)Cl)cc1 26771238 ROFMEQPVPQGARA-HNNXBMFYSA-N 420.814 6.594 0 40 HKAB CC[C@H](NCc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1)c1ccc(C)cc1 33040125 FDCFTFYWRQSVIN-IBGZPJMESA-N 423.969 5.854 0 40 HKAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1ccc(OC(F)(F)F)cc1 40074319 IVSSPZXDOSKGOW-AWEZNQCLSA-N 404.388 5.050 0 40 HKAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)N1CCc2ccccc21 44086000 ZTOWDPDMJLZXOM-UHFFFAOYSA-N 411.530 5.221 0 40 HKAB CCCOc1ccccc1CCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 44851639 PEVMIRSQLXVBMS-UHFFFAOYSA-N 408.586 5.070 0 40 HKAB CCOC(=O)c1ccoc1CNc1cc(Cl)cc(Br)c1OC(F)F 48288879 VCAZWAPQCVJQDI-UHFFFAOYSA-N 424.625 5.086 0 40 HKAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CCCN(Cc3ncc[nH]3)C2)n1 72354180 UFBIIIJNVMVQDR-LJQANCHMSA-N 414.475 5.102 0 40 HKAB CCOC(=O)c1cccc(CNc2ccc(N(C)C(=O)Nc3ccccc3)cc2)c1 95572333 IRROUJPHZPIWBN-UHFFFAOYSA-N 403.482 5.144 0 40 HKAB O=C(Nc1ccccc1Cc1nc(-c2ccncc2)no1)c1cc2ccccc2s1 96357485 GEHQHWRFUUTBPS-UHFFFAOYSA-N 412.474 5.189 0 40 HKAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1=C1C2CC3CC(C2)CC1C3 102690434 JKIGKXZBOSMTRZ-TWJWQTCJSA-N 419.952 5.323 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)[C@]3(C)C[C@H]4C=C[C@H]3C4)c2)c1C 112249357 FXGJSWKMGJGWIV-JVFUWBCBSA-N 420.557 5.093 0 40 HKAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1cccc(OCc2ccc(F)cc2)c1 205665832 MKRFIRUICGOEOI-FYJGNVAPSA-N 407.828 5.403 0 40 HKAB CN(CCCNC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccccc1 219266384 MJHGQTWUIOYUSV-UHFFFAOYSA-N 420.578 5.114 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCCc1cccc(OC(C)C)c1 219336295 WIQQVQOEKAMLSY-DEOSSOPVSA-N 405.538 5.533 0 40 HKAB Cc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1C 223470947 GVBRSVRXXOQSII-GOSISDBHSA-N 416.968 5.494 0 40 HKAB Cc1nc(NC(=S)NCC2(c3cccc(Cl)c3)CCCCC2)ccc1Cl 224001034 MEQCSVLAPXCJGT-UHFFFAOYSA-N 408.398 5.885 0 40 HKAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1cc(C)cc(C)c1 224200800 ZPFXNDSSKABZCB-GOSISDBHSA-N 407.485 5.521 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)CCc3c(Cl)cccc3Cl)ccc21 225358089 WMSFMGHSVVWQTP-UHFFFAOYSA-N 411.332 6.693 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1cccc(Br)c1)CC(C)(C)O2 225681250 WVRCKIIDPKKOBT-INIZCTEOSA-N 421.360 5.047 0 40 HKAB COc1ccc(NC(=O)C(Cc2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1 225936353 GZTBVILQVFRUSE-UHFFFAOYSA-N 421.540 6.171 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 248259573 LZHRRGGNNXYJOT-UVKIQIBRSA-N 402.663 6.360 0 40 HKAB CSc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@H]3CC(C)(C)CC(=O)[C@@H]32)cc1 253564481 GONTXJAEPHIUGB-ZPZUNKDASA-N 401.575 6.817 0 40 HKAB COc1ccc(C(=O)N2CCC[C@H](c3cc(-c4ccccc4)cc(C)n3)C2)c(OC)c1 257231714 GHXOLTZORAGFAZ-FQEVSTJZSA-N 416.521 5.094 0 40 HKAB COc1ccccc1-c1ccccc1[C@H]1C[C@@](C)(NC(C)=O)[C@@H]2CC[C@@H](C)C[C@H]2O1 257237003 HEUMJAZCFVDDFC-FQTAAUNPSA-N 407.554 5.523 0 40 HKAB CCCOc1c(Cl)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Cl 408559530 VSDAOOXBBJSKDS-SFHVURJKSA-N 416.757 6.214 0 40 HKAB CC(C)c1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 408585285 YMFBMFSUYDYZKQ-UHFFFAOYSA-N 415.559 5.019 0 40 HKAB CCN1C(=O)S/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)C1=O 409074200 KYJJDLCMGUZVCF-FYJGNVAPSA-N 407.466 5.614 0 40 HKAB COc1cc(CNc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1 409111195 ATGYFESBAWQXCJ-UHFFFAOYSA-N 402.321 6.502 0 40 HKAB CC(C)Oc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1Cl 409149263 ZWQTUBWUZFDPSU-XSFVSMFZSA-N 415.942 5.796 0 40 HKAB CCOc1cc(CNc2ccc(C)cc2C)ccc1OCC(=O)Nc1cccc(C)c1 409253408 BGGSRPAYKPVQFT-UHFFFAOYSA-N 418.537 5.640 0 40 HKAB CC1=C[C@H](C)[C@@]2(COC(=O)c3ccccc3)CO[C@H](c3ccc4c(c3)OCO4)[C@H]1[C@H]2C 504727375 FSFRMGYTTNBARV-REPHUYQASA-N 420.505 5.178 0 40 HKAB biogenic COc1ccc(-c2csc3ncnc(Oc4cccc(C(F)(F)F)c4)c23)cc1 948437 VNFHBQGIACCELU-UHFFFAOYSA-N 402.397 6.178 0 40 HKAB COc1ccc(-c2nc(Nc3ccc(C)c(Cl)c3)sc2CC(=O)O)cc1OC 979537 JKBFLNNLGLGABF-UHFFFAOYSA-N 418.902 5.160 0 40 HKAB COc1ccc(-c2cn3cc(-c4ccc(OC)c(OC)c4)c4c3n2CCCC4)cc1 1322647 BMGUQXNMYRHJBI-UHFFFAOYSA-N 402.494 5.437 0 40 HKAB biogenic Nc1c(C(=O)c2ccc(Cl)cc2Cl)sc2nc(-c3cccnc3)ccc12 1471945 IUNIRCSPLYEUCQ-UHFFFAOYSA-N 400.290 5.478 0 40 HKAB COC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1cccc2ccccc12 1896237 SFKATHKKPPAPAW-UHFFFAOYSA-N 401.487 5.536 0 40 HKAB CC[C@H](C)OC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1 1915063 GSHOHWXKMGGJOT-KBPBESRZSA-N 400.858 5.222 0 40 HKAB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)c1ccc(Cl)cc1 2093431 RNLDCXXNIQCJKX-UHFFFAOYSA-N 419.937 5.487 0 40 HKAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccc(C)cc2)CO4)cc1 2119542 WLMXEDKZXREOFB-UHFFFAOYSA-N 413.473 5.442 0 40 HKAB biogenic Cc1ccc2c(c1)N(CC(=O)c1ccc(F)cc1)C(C)(C)c1ssc(=S)c1-2 2196983 AXFQBKJOWUYWDV-UHFFFAOYSA-N 415.580 6.592 0 40 HKAB Clc1ccccc1-c1nc(N2CCC(Cc3ccccc3)CC2)c2ccccc2n1 2270136 RPTUSOLYIPHYOH-UHFFFAOYSA-N 413.952 6.409 0 40 HKAB COc1ccc(-n2c(SCc3cc(C)ccc3C)nnc2-c2ccccn2)cc1 2363735 BPYNGBDWXSDSFF-UHFFFAOYSA-N 402.523 5.247 0 40 HKAB CCCCc1ccc(Nc2cc(C(C)(C)C)nc3c(-c4ccccc4)c(C)nn23)cc1 2427109 YTCAUWSVXIKUHN-UHFFFAOYSA-N 412.581 7.088 0 40 HKAB CC[C@]1(C)Cc2c(sc3nc(SC(C)C)nc(NC[C@@H]4CCCO4)c23)CO1 2428835 AKYUMCJGGKVLND-RNODOKPDSA-N 407.605 5.024 0 40 HKAB O=C(NCc1ccco1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2628798 STTUPSNZCJCKDC-UHFFFAOYSA-N 407.267 5.187 0 40 HKAB CC(C)Oc1ccccc1[C@H]1Nc2ccccc2C(=O)N1c1ccc2c(c1)OCCO2 2643444 HINPXCWRFRVOMO-DEOSSOPVSA-N 416.477 5.016 0 40 HKAB CCc1cc2c(=S)c(-c3ccccc3Cl)coc2cc1OCc1ccccc1 2667477 QVXWMSSGBFIPHG-UHFFFAOYSA-N 406.934 7.624 0 40 HKAB biogenic COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 3213998 SGWFUNLHQXVZAI-UHFFFAOYSA-N 416.502 5.747 0 40 HKAB CCc1cccc(C)c1NC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 3311759 AYULKQNWTDZHQN-UHFFFAOYSA-N 422.333 5.874 0 40 HKAB COc1ccc(CCn2c(=S)[nH]c3sc(-c4ccccc4)cc3c2=O)cc1OC 3369993 YJNQGOLZTZICHJ-UHFFFAOYSA-N 424.547 5.047 0 40 HKAB CN(Cc1ccccc1NCC(=O)Nc1ccc(Cl)cc1F)C1CCCCC1 3376680 UZKYHNYVGWMSQH-UHFFFAOYSA-N 403.929 5.294 0 40 HKAB Cc1ccc(S(=O)(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccccc2Cl)cc1 4174064 HHDDIGSURDWFGG-JOCHJYFZSA-N 410.926 5.188 0 40 HKAB CCCCN(C(=O)c1ccccc1C)c1nc(-c2cc(OC)ccc2OC)cs1 4188937 FSKPFDNECCAPAG-UHFFFAOYSA-N 410.539 5.583 0 40 HKAB COc1ccc2nc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)[nH]c2c1 4252408 XCKUJASYSFGPAT-HNNXBMFYSA-N 403.507 5.358 0 40 HKAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 4548664 WNGYCKZHAWVQEW-INIZCTEOSA-N 414.619 5.365 0 40 HKAB Cc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2)cc1 4937768 DLVJILPPMRWANQ-GYHWCHFESA-N 409.894 5.460 0 40 HKAB Cc1ccc(-n2nc(-c3cccc(Br)c3)c3cnc4ccccc4c32)cc1 4970359 RHTORIDZXCKSTB-UHFFFAOYSA-N 414.306 6.312 0 40 HKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 4985135 NRLCZUDRRBTFJS-QMHWCDLVSA-N 422.521 5.078 0 40 HKAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)cc1OC 5215228 SCUTXQRXFFYAIA-YGOYIFOWSA-N 415.961 5.226 0 40 HKAB O=C(c1ccccc1)c1ccc2[nH]c(-c3ccc(NC(=O)C4CCCCC4)cc3)nc2c1 5409263 DXJHRYBXGOKZDU-UHFFFAOYSA-N 423.516 5.980 0 40 HKAB O=c1nc(Nc2ccccc2)ccn1-c1nc(-c2ccccc2)oc1-c1ccccc1 6896779 VJROGXYRNBPHAL-UHFFFAOYSA-N 406.445 5.298 0 40 HKAB COCc1c(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)oc2ccccc12 7799925 YVDCVVPJIYVLCZ-UHFFFAOYSA-N 406.463 5.158 0 40 HKAB O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 8156162 JRVXKEPNWZKFRC-OAQYLSRUSA-N 421.468 5.153 0 40 HKAB COCc1c(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)oc2ccccc12 8275553 JNAYMCRBKIHHEJ-OAHLLOKOSA-N 406.507 5.209 0 40 HKAB Cc1ccc(N[C@H](CC(=O)c2ccc(Br)cc2)c2ccc(F)cc2)cc1 9239217 CBJXJGPOBBJSDS-OAQYLSRUSA-N 412.302 6.323 0 40 HKAB O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1cc(Cl)sc1Cl 9275164 RRVAYJZUEWIWEI-UHFFFAOYSA-N 419.087 5.120 0 40 HKAB CC(=O)c1ccc(OCCCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 9376553 VJRBVCCSQHWJJG-UHFFFAOYSA-N 413.477 5.230 0 40 HKAB O=C(CSc1ncnc2sccc12)NCc1ccc(-c2ccc(Cl)cc2)o1 9995181 ZNKHTBCFWICNSZ-UHFFFAOYSA-N 415.927 5.013 0 40 HKAB Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ccc(F)cc2Cl)cs1 11376472 QODDDRCFBOHSQH-RMKNXTFCSA-N 402.878 5.475 0 40 HKAB Cc1ccc(OCCn2c(NC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1 12523875 AKSPSAOSCREVGX-UHFFFAOYSA-N 405.885 5.329 0 40 HKAB Cc1nc(C(C)(C)C)nc2sc(C(=O)Nc3cnc4c(cnn4C(C)C)c3)c(C)c12 13000911 QGAXLNGGKFMKGN-UHFFFAOYSA-N 422.558 5.184 0 40 HKAB CCOc1cc(/C=C/C(=O)OCc2ccccc2OC(F)F)cc(Cl)c1OC 13021291 AYPMYBCBXJPYGT-CMDGGOBGSA-N 412.816 5.105 0 40 HKAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCCCC2)C(=O)c1c[nH]c2ccccc12 13039484 ONSFZEPQYCGGAL-MRXNPFEDSA-N 412.489 5.413 0 40 HKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(OC)c(OC)c1 13494651 JHSBOTOGVJMYJQ-UHFFFAOYSA-N 420.490 5.241 0 40 HKAB COc1ccc(C(=O)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)c(OC)c1 16575991 JSNNEVUCJMBXOL-UHFFFAOYSA-N 416.477 5.888 0 40 HKAB CN(C)n1c(-c2ccccc2)c(Oc2ccc(Cl)cc2)s/c1=N\c1ccccc1 18192548 JWHWJFXWPVGDFS-BZZOAKBMSA-N 421.953 6.092 0 40 HKAB O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)c1ccc(Cl)cc1 20530548 DPXJRXIJIJKMEG-UHFFFAOYSA-N 421.909 5.935 0 40 HKAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N(Cc1ccccc1)c1ccccc1 22242920 XPPFDBHMNSPEEW-UHFFFAOYSA-N 400.453 5.647 0 40 HKAB CC(C)(C)c1ccc([C@@H]2NC[C@H](c3ccccc3Cl)c3c2[nH]c2ccccc32)cc1 25461395 UGXNYROYRGWPQA-BWKNWUBXSA-N 414.980 6.943 0 40 HKAB Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3cccs3)N3CCCC3)sc2c1 27584165 ZPQUHRVAQXOOJW-OAHLLOKOSA-N 404.988 5.492 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2cc(-c3ccc(Br)cc3)no2)cc1 27743970 OSMXXFRMCJGJAB-UHFFFAOYSA-N 415.287 5.245 0 40 HKAB Cc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2Cl)cc1 28534898 TVNOAWNQBFVVFB-UHFFFAOYSA-N 409.921 5.205 0 40 HKAB CCCc1ccc([C@H](NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c2cccs2)cc1 32879728 HSUOBIVVAKCXSJ-CVDCTZTESA-N 422.525 5.171 0 40 HKAB C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(F)cc1 44934160 BCRKPNAJIZGMFA-CQSZACIVSA-N 409.332 5.222 0 40 HKAB CCC[C@H]1CCCN(C(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)CC1 58418777 RHNLHIRCLFYCEZ-IBGZPJMESA-N 403.526 5.754 0 40 HKAB O=C(Nc1ccccc1NC(=O)c1cccs1)c1ccc2[nH]c3c(c2c1)CCCC3 65547537 BPHGSHRBHBCPIH-UHFFFAOYSA-N 415.518 5.613 0 40 HKAB Clc1ccc([C@H]2C=C(c3ccc(Br)cc3)N=C3N=NNN32)cc1Cl 69701156 FBGDZJAGSDVYQX-OAHLLOKOSA-N 423.101 5.395 0 40 HKAB COc1ccc(CC(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(Cl)cc3)n2)cc1 72357976 GYACUUCAHLHLMX-XMMPIXPASA-N 420.940 5.241 0 40 HKAB O=C(CCc1ccccc1Cl)CC(=O)CC(O)(c1ccccc1)c1ccccc1 100478344 YQWNFTFYVUKKDB-UHFFFAOYSA-N 406.909 5.127 0 40 HKAB COc1ccc([C@@H]2c3c(ncn(CC(C)C)c3=N)Oc3ccc4ccccc4c32)cc1 101091064 FZRZDRDOZFMAPO-QFIPXVFZSA-N 411.505 5.466 0 40 HKAB Clc1ccc(NCc2c(OCc3ccccc3)ccc3ccccc23)c(Cl)c1 106970694 IGXYYTJYIGTSMV-UHFFFAOYSA-N 408.328 7.338 0 40 HKAB CCCCCCCCCCCC(=O)O[C@H](C(C)C)[C@H](OC(=O)C(C)C)C(=O)O 205511083 FLVBOVQKMCPBFE-UXHICEINSA-N 400.556 5.128 0 40 HKAB biogenic,in-vitro Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 209940235 CYJSNZBHAMEETA-GOTSBHOMSA-N 414.509 5.189 0 40 HKAB CCOc1c(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cccc1OC 214868871 GRNVCPRQJBDUDD-KGENOOAVSA-N 419.502 5.484 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)c1cnc(-c2cccc(F)c2)nc1 222626305 QEXBPSDJYSZGNR-UHFFFAOYSA-N 401.466 5.686 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccc(Cl)cc1 222841476 FESBKAYSCSEFMN-QFIPXVFZSA-N 418.002 5.426 0 40 HKAB CC[C@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc2c(c1)CCCC2 223079467 AOACAAXJSAUZAT-FQEVSTJZSA-N 412.382 5.443 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)C(c2ccccc2)c2ccccc2)cc1C(C)C 223261299 MDFQIMMQEXQYTM-FQEVSTJZSA-N 401.550 6.136 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cc2)cc1 224210336 KEEJAJKQDYIUNG-JWQCQUIFSA-N 424.573 5.666 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccc(C)c(C)c1 224618313 UXURUFIHUAPBBB-UHFFFAOYSA-N 423.940 5.865 0 40 HKAB Cc1ccc(CN(C(=O)Cc2ccc(C)c(C)c2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224749485 QRKRDTDSPNLMFP-QFIPXVFZSA-N 420.597 5.021 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCC(C)(C)OC)c(Cl)c2)CCCCC1 225658663 XHLSQPGSQPQHHF-UHFFFAOYSA-N 411.970 5.602 0 40 HKAB CCCCN(CCCC)CCCNC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)CCC[C@H](C)C3=C[C@H]21 248330071 FGNDTNHMDIFKKW-CQKWZPGWSA-N 418.666 5.183 0 40 HKAB CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(F)c(OC)c2)C1 257240061 HRWOSXGODYPWCQ-VWPQPMDRSA-N 405.897 5.365 0 40 HKAB O=C(c1nccc2ccccc12)N1CCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257251304 JQEXEYPEKAFJDJ-OAQYLSRUSA-N 417.896 5.444 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccccc1F 257364943 TYKDNJRHRFRXDI-QPTAIYAESA-N 404.462 5.898 0 40 HKAB CSc1nc(N2CCCCC2)c2cc(C(=O)NC3CCCCCCC3)sc2n1 408624900 VQAAQLHYLHBLBN-UHFFFAOYSA-N 418.632 5.246 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408638411 CLMXPTCKVZYXEV-SECBINFHSA-N 418.107 5.292 0 40 HKAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)c1 408641766 MSOUPPYSJQZPCI-IBGZPJMESA-N 400.478 5.087 0 40 HKAB COc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(C)cc2)cc1 408698329 PFPRZVBHBVTFKM-UHFFFAOYSA-N 412.493 5.120 0 40 HKAB CCCc1sc2nc(Sc3ccccn3)n(-c3cccc(C)c3)c(=O)c2c1C 409111320 HWWBAKUYKQGTDV-UHFFFAOYSA-N 407.564 5.563 0 40 HKAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Cl 409144047 NVSYSGLOWOHAEN-DEDYPNTBSA-N 414.958 6.056 0 40 HKAB CCCCOc1ccc(C(=O)/N=c2\sc(CC)c(-c3ccc(OC)cc3)n2C)cc1 409201683 XHHWBMJYBPBFMX-IZHYLOQSSA-N 424.566 5.245 0 40 HKAB Cc1ccc(CN2CCCC(C)(C)COc3ccccc3Oc3ncccc3C2)cc1 643567089 RTDQYIAYFALGSN-UHFFFAOYSA-N 416.565 6.383 0 40 HKAB Cc1cc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)cc(Cl)c1F 670417793 ANFYULJFXLRFQM-UHFFFAOYSA-N 423.915 6.056 0 40 HKAB O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC1CCCCCC1 917949 NGCSGFFQBQSRRQ-UHFFFAOYSA-N 413.465 5.077 0 40 HKAB O=C(NC1(C(F)(F)F)Oc2ccccc2O1)N(Cc1ccccc1)c1ccccc1 958988 IQZRPXWZRSOCLA-UHFFFAOYSA-N 414.383 5.090 0 40 HKAB COc1ccc(C(=O)Oc2ccc3c(=O)c(-c4ccc(Cl)cc4)c(C)oc3c2)cc1 1448035 QBYWHWHCXAOHNV-UHFFFAOYSA-N 420.848 5.650 0 40 HKAB biogenic COc1cccc(C(=O)Oc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)c1 1777094 KMSCDVBDPAEDFZ-UHFFFAOYSA-N 406.821 5.341 0 40 HKAB biogenic CCCCOc1cccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCC4)c1 2067123 PMPXUQUTCTXCEP-UHFFFAOYSA-N 409.555 5.579 0 40 HKAB CSc1nc(N2CCCC2)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 2235156 LLUZFQSHTWJZQZ-UHFFFAOYSA-N 418.591 5.717 0 40 HKAB CC(C)c1ccc(C(=O)N2c3cc(N)ccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 2250303 TZMNKWNBEAQFCV-MUUNZHRXSA-N 412.577 6.527 0 40 HKAB Fc1cccc(-c2nnn3c2nc(NCCc2ccc(Cl)cc2)c2ccccc23)c1 2698636 CFVBWXYKWJSYQE-UHFFFAOYSA-N 417.875 5.392 0 40 HKAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(-c2ccco2)nc2ccccc12 2747257 FYATWIWAWODVEI-UHFFFAOYSA-N 415.449 6.010 0 40 HKAB Fc1ccc(CSc2nnc([C@@H]3COc4ccccc4O3)n2-c2ccccc2)cc1 3225997 KWXVDCXNODUZBX-NRFANRHFSA-N 419.481 5.211 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc2c(s1)CCCC2 3226017 OAYJJHDBWVZTPM-UHFFFAOYSA-N 411.548 5.784 0 40 HKAB CCc1ccc(/C=C2\CCC(C(=S)Nc3ccc(F)cc3)=C2N2CCCCC2)cc1 3236085 WAGJBNHXMHEQTE-DYTRJAOYSA-N 420.597 6.745 0 40 HKAB Cc1c(NC(=O)c2cccc(Br)c2)cccc1-c1nc2ncccc2o1 4045369 DCKHSSACZIJXMQ-UHFFFAOYSA-N 408.255 5.213 0 40 HKAB CC(C)CC[C@H](CC(=O)Nc1ccc(OC(C)C)cc1)c1ccc(OC(C)C)cc1 4084328 FQTHXKCSLJHNQB-JOCHJYFZSA-N 411.586 6.810 0 40 HKAB biogenic Cc1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)C(C)(C)C)ccc3c2=O)cc1 4290954 QOSGNQZSEJXDSC-UHFFFAOYSA-N 420.383 5.864 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)c(C)c1 4690831 YSRYKBCKYFXJEO-UHFFFAOYSA-N 419.506 5.149 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1Cc1ccccc1 4903415 TXWAWZJDRBQBJD-HXUWFJFHSA-N 415.924 5.254 0 40 HKAB CCCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)cc1C 5017228 GMCLXLYNHZZDFU-UHFFFAOYSA-N 412.559 5.040 0 40 HKAB CCCSc1nc(NCc2cccnc2)c2c3c(sc2n1)COC(C)(C)C3 5157790 MBZKIZASVFWYCM-UHFFFAOYSA-N 400.573 5.052 0 40 HKAB Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)c1 5235930 YMCJMRFFYYLGAD-JOCHJYFZSA-N 409.533 5.530 0 40 HKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(OC)c4)c3)nc2c1 5476345 XCFOILAEATXDKH-MRXNPFEDSA-N 400.478 6.269 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 5978443 XVTABJBSYUHIMS-UHFFFAOYSA-N 416.546 6.703 0 40 HKAB Cc1cc(C)c(-c2c(O)c(C(=O)c3ccccc3)c(-c3ccccc3)[nH]c2=O)c(C)c1 6025170 UKIJIVNFNJJSIK-UHFFFAOYSA-N 409.485 5.571 0 40 HKAB CC1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2)CC1 6348816 IHHPLFQZOKETTG-UHFFFAOYSA-N 400.522 5.754 0 40 HKAB CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\Sc2ccccc2C1=O 6355395 AXILJKJVTXOTBX-MXAYSNPKSA-N 416.586 6.883 0 40 HKAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)NC1CCCCCC1 6517049 HOSFMCPFIKWCMW-UHFFFAOYSA-N 407.583 5.210 0 40 HKAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccc(F)cc1Cl 6549613 KEBHNHIZLFFFFP-GFCCVEGCSA-N 416.909 5.057 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cc1Br 6595874 BRXYLYOCERWMPD-UHFFFAOYSA-N 417.347 5.086 0 40 HKAB CCOc1ccc(-c2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2C)cc1 6617396 QIPNPDBZWVCQEY-UHFFFAOYSA-N 414.530 6.437 0 40 HKAB COc1cc(CNC2CCCCCCC2)ccc1OCc1c(Cl)cccc1Cl 7523512 ATQKELWZKIHDLE-UHFFFAOYSA-N 422.396 6.784 0 40 HKAB Cc1ccc(NC(=O)Cn2c([C@@H](C)Oc3ccccc3)nc3ccccc32)c(Cl)c1 7738499 MKFIHBGVSYVGFM-QGZVFWFLSA-N 419.912 5.777 0 40 HKAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 8394264 VKXYWZARIQWOIP-NRFANRHFSA-N 424.614 5.452 0 40 HKAB Cc1c(Cl)cccc1NC(=O)[C@H](C)n1cnc2sc(-c3ccccc3)cc2c1=O 8717838 PRLMNLNZZMHZHB-AWEZNQCLSA-N 423.925 5.287 0 40 HKAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1cccc2ccccc12 8750307 KZOSOSMGBUUTBD-UHFFFAOYSA-N 420.563 5.149 0 40 HKAB COc1ccccc1[C@H]1c2c(-c3ccc(C)cc3)n[nH]c2C(=O)N1[C@H]1C=CC(F)=CC1 9374998 PLXXGFPCKRYQJD-UUOWRZLLSA-N 415.468 5.121 0 40 HKAB COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(C)cc2)cc1 9428722 WIQTWAPWKDDVFR-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB O=C(C1CCC1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 9514349 XFTBBNKPLUBTMF-AWEZNQCLSA-N 411.354 5.429 0 40 HKAB Clc1cccc(Cl)c1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2ncnn21 9805673 LOIXRJYXGNRPOX-LSDHHAIUSA-N 424.129 5.494 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)c(Cl)c1 12819881 OMIFEIDSPCZNAZ-UHFFFAOYSA-N 401.897 5.813 0 40 HKAB CCOc1ccc([C@H]2CCCN2Cn2nc(-c3cccc(C)c3)n(C)c2=S)cc1 12853389 KANMNUWRMRGZCX-OAQYLSRUSA-N 408.571 5.120 0 40 HKAB Nc1c(C(=O)c2ccccc2)sc2nc(C(F)(F)F)cc(-c3cccs3)c12 12938668 BOXWHLVQHMYOEC-UHFFFAOYSA-N 404.438 5.857 0 40 HKAB CC(C)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2N=CNC2=N3)cc1 13213826 LHYMXWLJPVVZKC-DQEYMECFSA-N 421.504 5.009 0 40 HKAB Cc1c(C)n(-c2nccs2)c2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c12 13624669 TXSWWFBUCMDINE-UHFFFAOYSA-N 415.309 5.115 0 40 HKAB Cc1cccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c1C 15881166 VJNLKUXZAHCHPA-UHFFFAOYSA-N 401.506 5.848 0 40 HKAB COC(=O)c1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 17090859 RZSPSGFJXAQOIG-UHFFFAOYSA-N 416.688 5.068 0 40 HKAB C[C@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Cl)cc1 17315179 FMZKJMNIONCHSV-SFHVURJKSA-N 402.929 5.498 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)N1CCCC1 19934413 ZYQYGBDMUGCJFZ-UHFFFAOYSA-N 423.365 5.101 0 40 HKAB Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(C(F)(F)F)c2)cc1 19949296 AHDVWXMYGIGGEI-UHFFFAOYSA-N 408.358 5.794 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)cc1Cl 20459926 ZQUPCYUWPDQYHK-AWEZNQCLSA-N 403.906 5.220 0 40 HKAB CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccc(C)c4OC)c3)nc2c1 21146960 JBWVQKRGPWGJJJ-UHFFFAOYSA-N 400.478 5.935 0 40 HKAB CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 24967496 JUOXPMXZDVMYSQ-AWEZNQCLSA-N 419.472 5.178 0 40 HKAB Cc1noc(-c2ccc(C(=O)Nc3ccccc3CN(C)C3CCCCC3)cc2)n1 32905875 KBWUIHOMJPHCHG-UHFFFAOYSA-N 404.514 5.062 0 40 HKAB COc1cccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C)c3c(C)nn(C)c3n2)c1 36615973 CBMRAUHVASRCIE-UHFFFAOYSA-N 420.900 5.166 0 40 HKAB CCCCN(C)C(=O)c1cc(-c2cccs2)nc2onc(-c3ccccc3F)c12 36618439 KAHSSGDVHLAVOR-UHFFFAOYSA-N 409.486 5.630 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)c(C)c2)c(C)c1 67297319 HXYKKQVIGBAIGT-RFBIWTDZSA-N 416.908 6.496 0 40 HKAB CC(C)c1[nH]c2ncccc2c1CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 72393352 SSYWELCRYOVMDY-UHFFFAOYSA-N 417.475 5.189 0 40 HKAB O[C@@H]1CCCC[C@H]1N(Cc1ccccc1NCc1ccccc1)C1(O)CCCCC1 90411169 TZYCXXDLNMXWRE-JWQCQUIFSA-N 408.586 5.057 0 40 HKAB Cc1ccc(C(C)C)c(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H]([C@H]6C[C@H]56)[C@H]4C3=O)cc2)c1 100725075 VOVSFTFOXZXHLQ-VGSPHUTOSA-N 413.517 5.468 0 40 HKAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1ccccc1Cl)[C@@H]2O 118916163 YMHMUKZSUKEOTI-GBJOKAMYSA-N 415.017 6.098 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1Cl 216473720 UEYROPOHGYALKP-CYBMUJFWSA-N 410.297 5.193 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)CC(C)(C)O2 219130650 UDVKFYBMQXWWJY-XMMPIXPASA-N 415.533 5.636 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21 219387294 YOTTZOMBCSOGEQ-AZUAARDMSA-N 403.975 5.938 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C)c1ccccc1C 222869740 FQDGJZTWGRTEDP-LEYFIJQKSA-N 418.562 5.403 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(OC)c(Cl)cc1OC 222925561 RNWUYFCIAIULFM-SFHVURJKSA-N 405.922 5.451 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(CN3CCC(C)CC3)cc2)cc1C(C)C 223337074 KZCCGFGSPBQQQS-NRFANRHFSA-N 422.613 5.850 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1cc(C)cc(C)c1 224531781 QRSTXBMGXODXRO-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1CSc1ccc(Cl)cc1 224671430 MFYMVXUQDBORLC-UHFFFAOYSA-N 411.954 6.592 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C(=O)OCC 225681569 ZWOZWKBXIKCTHL-UHFFFAOYSA-N 413.489 5.242 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc2cc(Cl)ccc2oc1=O 226041549 UUGOBZHDERMPGA-UHFFFAOYSA-N 402.155 5.371 0 40 HKAB CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 408628362 RTRDQSTVLGNGFQ-UHFFFAOYSA-N 405.882 5.146 0 40 HKAB COc1ccc(/C=C(/Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)cc1Cl 408633348 KBGGWPWDFCBBCK-OQLLNIDSSA-N 422.293 5.005 0 40 HKAB CSc1ccccc1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408635573 FCSHNCULVHQODR-UHFFFAOYSA-N 420.921 5.803 0 40 HKAB COc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccc(C)cc2)s1 408834477 UIQRNBXZLQHIEP-UHFFFAOYSA-N 400.503 6.046 0 40 HKAB CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1cccc2ccccc12 409114517 GPOAZNAXJAEVGC-UHFFFAOYSA-N 411.545 7.046 0 40 HKAB Fc1cccc(COc2c(Cl)cc(CNc3ccc(Cl)cc3)cc2Cl)c1 409182893 PRYRZOPHGIEFLT-UHFFFAOYSA-N 410.703 6.977 0 40 HKAB Oc1nc(-c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)nc2ccccc12 409266223 PHJHMONPONFKJY-UHFFFAOYSA-N 420.299 6.312 0 40 HKAB COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(Br)c(C(C)C)cc3C(=O)C[C@@H]21 1776010822 OYAKFDBFYSBGBP-CEWLAPEOSA-N 407.348 5.396 0 40 HKAB CC[C@H](C)C(=O)N1c2ccccc2[C@@H](N(C(=O)[C@@H](C)CC)c2ccccc2)C[C@@H]1C 856742 WYDOYBRGEXKRFI-XHOYROJHSA-N 406.570 5.978 0 40 HKAB Cc1nc2ccc(NC(=O)Nc3ccccc3)cc2c(=O)n1Cc1ccc(Cl)cc1 930640 LWTHHVWFNPCJBE-UHFFFAOYSA-N 418.884 5.051 0 40 HKAB COc1ccc(N[C@H](c2ccccc2OC)c2c(C)[nH]c3ccccc23)c(OC)c1 1298092 XZRZGGJFQXVSCQ-RUZDIDTESA-N 402.494 5.704 0 40 HKAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)CCC(=O)N1Cc1ccc(C)cc1 1389183 GLURQRACJXKNLS-UHFFFAOYSA-N 402.416 5.049 0 40 HKAB CCc1ccc(Oc2coc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)cc1 1775083 YPZMPZUSIZWKBQ-UHFFFAOYSA-N 406.865 6.380 0 40 HKAB Cc1ccc(-n2c(SC(C)C)nc3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 1793518 BCQNMURBZVOUJO-QGZVFWFLSA-N 414.596 5.353 0 40 HKAB COc1cc2ccccc2cc1C(=O)Oc1ccc(Br)c2ccccc12 2052052 ABWRCKAZWZEXEZ-UHFFFAOYSA-N 407.263 5.983 0 40 HKAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 2225542 IEFRDBPWWYERLF-UHFFFAOYSA-N 418.497 5.113 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1cccc(OC(=S)Nc2ccc(Cl)cc2)c1 3088943 BENULXUVMSXKDH-UHFFFAOYSA-N 417.317 6.022 0 40 HKAB CCC(C)(C)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 3330053 SGUFZEDMNJNAKU-UHFFFAOYSA-N 409.551 6.276 0 40 HKAB CC[C@H](C)Sc1nc2c([nH]c3ccccc32)c(=O)n1-c1cccc(C(F)(F)F)c1 4106634 LQESXRGWKIFHLM-LBPRGKRZSA-N 417.456 5.776 0 40 HKAB Cc1sc2ncnc(SCC(=O)N(c3ccccc3)c3ccccc3)c2c1C 4130126 CAOYEFXJCLKTIH-UHFFFAOYSA-N 405.548 5.765 0 40 HKAB COc1ccc2nc(Nc3nc(-c4cc5ccccc5oc4=O)cs3)sc2c1 4137734 RXPVCTSZKJIGNR-UHFFFAOYSA-N 407.476 5.278 0 40 HKAB O=C(CNc1ccccc1)c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 4321290 GFPFBPJOTGRTDY-UHFFFAOYSA-N 412.537 5.030 0 40 HKAB Cc1cccc(C2=N/C(=C/c3cccc(OCc4ccccc4Cl)c3)C(=O)O2)c1 4551012 UKXZUAAGPXEKJD-HYARGMPZSA-N 403.865 5.572 0 40 HKAB Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)c1 5205318 HAGWNZKRXVMYKK-UHFFFAOYSA-N 409.283 5.262 0 40 HKAB O=C(NCCOc1ccccc1)c1ccccc1Nc1cccc(C(F)(F)F)c1 5688116 PMHDGMVTIDYVKT-UHFFFAOYSA-N 400.400 5.258 0 40 HKAB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(Oc2ccc(Cl)c(Cl)c2)cc1 5889978 ADPNZQKYVCZNGB-NDENLUEZSA-N 410.256 6.130 0 40 HKAB C[C@H]1Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2N=C1c1ccc(C(C)(C)C)cc1 6078839 RDDCIYDSYCMEEI-MRXNPFEDSA-N 418.610 6.287 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)cc1 6502240 BZYVWACAJLXMBY-UHFFFAOYSA-N 415.602 6.382 0 40 HKAB Cc1ccc(C(=O)[C@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)cc1C 7252026 KYCMZKWVASPFQN-ZDUSSCGKSA-N 416.344 5.215 0 40 HKAB CCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 7261660 MRGMLFDWKUYHEE-UHFFFAOYSA-N 417.174 6.225 0 40 HKAB Cc1ccc(Cn2c([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)nc3ccccc32)cc1 7544413 HWFYDHPEGJSEBJ-LJQANCHMSA-N 415.924 5.567 0 40 HKAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1Cc1ccc(F)cc1 7904803 VDAWHQHDEQTIES-UHFFFAOYSA-N 424.545 5.071 0 40 HKAB Cc1ccccc1N(C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1nc2ccccc2s1 8342314 VJUGECFVWGSQNB-KRWDZBQOSA-N 419.550 5.061 0 40 HKAB Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(CSc2ccccc2)s1 9355815 FOXNVEOENCQIOB-UHFFFAOYSA-N 408.508 5.046 0 40 HKAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3c(C)cc(C)cc3C)cs2)cc1 9625443 IHNBUNZHZAIUEY-UHFFFAOYSA-N 408.527 5.202 0 40 HKAB CC1=C(C)[C@H](N(c2ccccc2)c2ccccc2)N([C@H](C)CCc2ccccc2)C1=O 9679509 KIXDWDRSFRNNDY-ZBLYBZFDSA-N 410.561 6.351 0 40 HKAB O=C(NCc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(C(F)(F)F)cc2)s1 9812332 YQZKFMLFLLIQNR-GDNBJRDFSA-N 423.847 5.224 0 40 HKAB COc1cc(OC)cc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 10120329 POCAAEPUNLDTIQ-UHFFFAOYSA-N 416.477 5.059 0 40 HKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(Cl)c1)N(c1nccs1)C3=O 10233173 HSCRDHOWGVBNFE-SFHVURJKSA-N 422.893 5.270 0 40 HKAB Cc1cc(NC(=O)CCc2ccccc2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 12441843 ZDKDHUHUYPBGGS-UHFFFAOYSA-N 422.941 5.529 0 40 HKAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(-n2cccc2)c1 12484806 QQOCVVSBGZXUMD-UHFFFAOYSA-N 418.415 5.082 0 40 HKAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1sc(-c2ccccn2)nc1C 12753627 TUCBFBVXFXWRCJ-UHFFFAOYSA-N 421.444 5.573 0 40 HKAB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1cccc(F)c1 13946083 AIUYLAHBAWLSCC-UHFFFAOYSA-N 415.251 6.501 0 40 HKAB CC(C)OC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 14416196 CIXDNKDLCYLPPE-UHFFFAOYSA-N 412.873 5.132 0 40 HKAB COc1cc(C(C)=O)ccc1OC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 14789481 ODKDVEIXMWJWGM-UHFFFAOYSA-N 409.052 5.126 0 40 HKAB CCOc1cc(C)c(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)cc1C(C)C 15011021 XVKSAQRFXIXDIV-KQWNVCNZSA-N 423.578 6.186 0 40 HKAB COc1c(C)cccc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 17089833 NYGJRGRGHMYITC-UHFFFAOYSA-N 414.461 5.563 0 40 HKAB CC(C)C(=O)NC(=S)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1Cl 17090454 DUDLTDNMDXYCAE-UHFFFAOYSA-N 415.946 5.741 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 17092444 ZRIBRPFELSTFOD-UHFFFAOYSA-N 420.852 5.599 0 40 HKAB CCOc1ccc(CN2CCC[C@H]2c2cc(Cc3ccccc3)cc(C)n2)cc1CO 19691910 CMLGGXXZOPGTNM-SANMLTNESA-N 416.565 5.209 0 40 HKAB Cc1cc2nc(-c3cc(NC(N)=S)ccc3Cl)oc2c(Br)c1C 20156931 IEFFTOFSNGSSOW-UHFFFAOYSA-N 410.724 5.183 0 40 HKAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)o2)cc1C 20196871 QBBZGHCGXGHZDI-UHFFFAOYSA-N 422.337 5.315 0 40 HKAB CCOC(=O)c1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 20492822 PNQIQIPHINHJOZ-UHFFFAOYSA-N 421.518 5.287 0 40 HKAB COc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4cccc(F)c4)c3c2c1 21017620 MAMMBOJCECFERY-UHFFFAOYSA-N 403.844 6.042 0 40 HKAB CN(CCCNC(=O)c1ccccc1SCc1ccsc1)Cc1ccccc1 21939094 CVGANSAQBNAVKW-UHFFFAOYSA-N 410.608 5.292 0 40 HKAB CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC 23101165 ZEFJAJOEVVPILO-LFIBNONCSA-N 414.889 5.082 0 40 HKAB Cc1c(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)[nH]c2c1C(=O)CC(C)(C)C2 24774444 JVQAQEYFBJQFCQ-UHFFFAOYSA-N 418.522 5.107 0 40 HKAB CCCc1noc([C@@H](C)Sc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)n1 24865038 BNDOOHWNXHLCLZ-OAHLLOKOSA-N 421.526 5.132 0 40 HKAB COc1ccc(N(Cc2ccccc2)C(=O)c2cc(-c3ccc(C)c(C)c3)on2)cc1 27580196 MGGLMDAVGDAXCU-UHFFFAOYSA-N 412.489 5.814 0 40 HKAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1cccc(C2SCCS2)c1 29498827 JRLZTBGADJAOAC-UHFFFAOYSA-N 402.566 5.371 0 40 HKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 30857146 ICKRUSFQQGBJPR-OAQYLSRUSA-N 411.860 5.506 0 40 HKAB Cc1cc(C)c(NC(=O)CSCc2coc(-c3ccc(Cl)cc3)n2)c(C)c1 31423581 SZPVYBFRWOHHDY-UHFFFAOYSA-N 400.931 5.792 0 40 HKAB CC(C)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)sc2c1 33000669 DYGWDWSNARYMQJ-UHFFFAOYSA-N 419.959 5.275 0 40 HKAB CC(C)OCCCNc1nc(-c2ccc(Br)cc2)cc(C(F)F)n1 36613827 BABNJSXEJMEUQU-UHFFFAOYSA-N 400.267 5.071 0 40 HKAB CC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 38858356 FCZCJIOSZNFIIT-UHFFFAOYSA-N 405.325 5.047 0 40 HKAB Cc1ccccc1[C@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)c1ccccc1 44841803 HSSJVVJPFJSVHF-SQDLFYSFSA-N 403.525 6.441 0 40 HKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1Cl 58058934 DLSRGQULUJNSHR-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB Cc1ccc(-c2noc(-c3cn(-c4ccc(F)cc4)c(=O)c4ccccc34)n2)cc1C 67245375 ZBQMVLZADWEAQK-UHFFFAOYSA-N 411.436 5.464 0 40 HKAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(OC)cc2)cc1 67258823 MGEXWWFRDQIHDH-UHFFFAOYSA-N 414.530 5.389 0 40 HKAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(N(C)c3ccccc3)nc2)cc1 72214237 BIGDVMCGQUZDPS-QHCPKHFHSA-N 421.566 5.074 0 40 HKAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 72353863 GNINAZYNIIWYND-FQEVSTJZSA-N 405.929 5.049 0 40 HKAB Cc1ccc(NC(=O)c2ccnn2-c2ccc3ccc(-c4cccnc4)cn23)cc1C 96037992 CFGGTMOVTVGJKB-UHFFFAOYSA-N 407.477 5.056 0 40 HKAB Cc1cc(OCc2nn3c(-c4oc5ccccc5c4C)nnc3s2)ccc1Cl 96194331 IOKVHCITRXQMAH-UHFFFAOYSA-N 410.886 5.448 0 40 HKAB C[C@H]1C[C@@]2(C)Oc3ccccc3[C@H]3OC[C@]1(COC(=O)NC1CCCCC1)[C@@H](C)[C@@H]32 100740639 HTEHTVFZNJDZHV-HWYJMBFKSA-N 413.558 5.246 0 40 HKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1C[C@@H]1CC=C(C)C1(C)C 102788480 IHXLCLUTSHQOPT-AVRDEDQJSA-N 420.597 6.899 0 40 HKAB CCCSc1nnc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)s1 223041408 KGCINSBXDBWYBA-UHFFFAOYSA-N 419.959 5.525 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1Cc1ccco1 223361014 YMCXUQBZVDYQRO-YADHBBJMSA-N 401.491 5.107 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)NCc3ccccc3Cl)o2)c1 224897730 CGROVTOWQHQBHB-UHFFFAOYSA-N 418.880 5.601 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(F)cc3)o2)cc1 224924159 IXMPKWYRPDDAOZ-UHFFFAOYSA-N 416.452 5.476 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1Cl 225560681 XYCABKPENUQODT-UHFFFAOYSA-N 401.934 5.978 0 40 HKAB CCc1cccc(C)c1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1 225610379 GJSVTQZJUVDKDR-QNGOZBTKSA-N 420.534 5.037 0 40 HKAB C[C@H](NC(=O)c1snnc1-c1ccc(Br)cc1)c1ccc(Cl)cc1 225786483 UBNIUSMJRPYKDM-JTQLQIEISA-N 422.735 5.112 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c2cccnc12 225863772 MMEQBUBWAXMIBO-UHFFFAOYSA-N 422.956 6.518 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC[C@H]2OC(=O)/C=C/c1ccccc1 253530051 YDLGPSRBKLWFAV-YVNAQUSSSA-N 406.610 7.044 0 40 HKAB CCc1ccc(OCC(=O)O)c(-c2cc(-c3ccc(Cl)cc3)n(CC(C)C)n2)c1 257245295 IOWLEASEYVFGKS-UHFFFAOYSA-N 412.917 5.552 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(-c2ccccc2)cc1 408574746 KUYGFDFNQZXEAB-UHFFFAOYSA-N 407.557 7.074 0 40 HKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(F)cc3)n2)cc1 408694514 JWDGUSDUEWAHAX-UHFFFAOYSA-N 416.456 5.033 0 40 HKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc(F)c3)n2C)cc1C 409204350 GDYAWDAZEFFXHW-RFBIWTDZSA-N 416.521 5.918 0 40 HKAB Cc1ccc(NC(=O)c2cccc([C@H]3CCCN(C)C3)c2)cc1C(=O)c1ccccc1 1615058919 SKZNEUBUUAPZEC-QHCPKHFHSA-N 412.533 5.288 0 40 HKAB O=C(COc1ccc(Cl)cc1)N(Cc1ccco1)c1nc(-c2ccccc2)cs1 882156 WRESKQRUNFUZTK-UHFFFAOYSA-N 424.909 5.669 0 40 HKAB COc1ccc(-c2csc(N(Cc3ccco3)C(=O)c3ccccc3C)n2)cc1 929166 UTYBLIJPPMSURG-UHFFFAOYSA-N 404.491 5.567 0 40 HKAB CC(C)N(C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)C(C)C 2069940 SPQPTBCTOYQZSU-UHFFFAOYSA-N 409.533 6.223 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)NCCCNC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 2096209 OBLDMTYLTLTTSH-OTYYAQKOSA-N 418.581 5.283 0 40 HKAB CCOC(=O)c1c(NC(=O)c2ccc(C)s2)sc(C)c1-c1ccc(C)c(C)c1 2107991 LQWOLTONHHXBFS-UHFFFAOYSA-N 413.564 6.139 0 40 HKAB CCCCc1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 2158358 ICLOGEVANMJESY-UHFFFAOYSA-N 411.501 6.159 0 40 HKAB biogenic C[C@@H](Nc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)cnn12)c1ccccc1 2221442 GORZTGNAKTVWAO-MRXNPFEDSA-N 404.945 6.520 0 40 HKAB Brc1ccc(-c2csc(Nc3ccc(Oc4ccccc4)cc3)n2)cc1 2571076 ARJVWIVRTVWRFW-UHFFFAOYSA-N 423.335 7.109 0 40 HKAB Cc1cccc(C=C(C(=O)N[C@H](C)c2ccccc2)C(=O)N[C@H](C)c2ccccc2)c1 2640588 WNQOTSYFWDSKAJ-NHCUHLMSSA-N 412.533 5.133 0 40 HKAB CCSc1nc2sc3c(c2c(=O)n1-c1cc(Cl)ccc1OC)CC[C@H](C)C3 2646851 JSXXAZWMBIVPCN-NSHDSACASA-N 420.987 5.346 0 40 HKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NC4CCCC4)ncnc32)cc1Cl 2714241 CDBPGGKWNBNNNR-UHFFFAOYSA-N 402.929 6.404 0 40 HKAB Cc1ccc([C@@H](C)NCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2730386 YTNCEMCEWPYBEM-CYBMUJFWSA-N 420.365 5.715 0 40 HKAB Cc1c(NC(=O)c2ccccc2Br)cccc1-c1nc2cccnc2s1 2961582 MYGQBYVFMRJZIY-UHFFFAOYSA-N 424.323 5.682 0 40 HKAB COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(OC)cc2)cc1 2974692 OQCCIIGDBXAFJZ-UHFFFAOYSA-N 422.488 5.848 0 40 HKAB Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)Nc2ccc(Br)cc2)c1 3060962 YKORZPKYRKYDLI-QFIPXVFZSA-N 420.350 6.011 0 40 HKAB COc1ccc2nc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)sc2c1 3194208 QHRPVDHIGNNKKD-UHFFFAOYSA-N 417.515 5.834 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](OC(=O)c1cccc(Cl)c1)c1ccccc1 3455558 XVYMEIOFFRPDMQ-OAQYLSRUSA-N 409.869 5.276 0 40 HKAB Cc1cc(I)ccc1NC(=S)Nc1ccc(F)c(Cl)c1 3504082 NMKMCVRIVSSVFK-UHFFFAOYSA-N 420.678 5.201 0 40 HKAB S=C(NC1CCCCC1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl 4088141 QSANZAYSAYVKNM-LJQANCHMSA-N 408.398 5.407 0 40 HKAB CC(C)n1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccco1 4736116 NKAIKFZELMPJIB-UHFFFAOYSA-N 411.314 5.157 0 40 HKAB COc1ccccc1NC(=O)CSc1nc2ccccc2cc1Cc1ccccc1 4848619 UMMOQLVWUBNHET-UHFFFAOYSA-N 414.530 5.565 0 40 HKAB Cc1ccc(Cn2nc(C)c(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)c2C)cc1 4880567 CPHRMBMSIILDJZ-UHFFFAOYSA-N 420.900 5.417 0 40 HKAB CC[C@@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 5273757 KZJWDPNRJALLNS-CNOAXTMESA-N 414.718 8.025 0 40 HKAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3ccccc3C)o2)c2ccccc2)cc1 5434786 YUQNYXJVRVOOPC-NRFANRHFSA-N 415.518 5.826 0 40 HKAB CC(=O)O[C@H]1CC[C@@H](OC(C)=O)C[C@H]1C[C@@]1(C)[C@@H](C)CC[C@]2(C)C(C)=CCC[C@@H]21 5533872 IZEANLPYPIOHKC-AQIHWMQISA-N 404.591 5.839 0 40 HKAB O=C(Nc1ccc(Br)cn1)c1sc2cc(Cl)ccc2c1Cl 5590674 CMBAWJMWXXMECO-UHFFFAOYSA-N 402.100 5.618 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(NCc1ccc(Cl)cc1)c1ccccc1 5672903 IZYNVHGCIOCYJS-MHZKMIKSSA-N 419.933 6.426 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3o2)cc1Cl 6866330 FJBNIQLJOSWBGA-UHFFFAOYSA-N 406.825 5.438 0 40 HKAB O=C(CCc1ccccc1)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 8471456 YOELBZWTHZSGNE-UHFFFAOYSA-N 413.304 5.817 0 40 HKAB CCOc1ccc(Nc2c(S(=O)(=O)c3ccccc3)cnc3ccc(F)cc23)cc1 8605044 LSSUFJGXSAAQEK-UHFFFAOYSA-N 422.481 5.349 0 40 HKAB CCN(CC)C(=O)c1cccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1 8728213 OKCPZDHTIMFYKW-HSZRJFAPSA-N 418.562 5.641 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CN1c1cccc(Cl)c1 8871271 ITBROMLWOKYJPS-QGZVFWFLSA-N 419.887 5.398 0 40 HKAB Cc1ccc2oc(C(=O)Nc3c(C(=O)c4ccccc4)oc4ccccc34)cc(=O)c2c1 8915171 FRUCZGWUZHTNFA-UHFFFAOYSA-N 423.424 5.331 0 40 HKAB CC(C)c1ccc(OCC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)cc1 9250759 YEZDTGAJOKZRGG-HSZRJFAPSA-N 414.977 5.186 0 40 HKAB COc1ccc2[nH]c(=O)c(-c3nc4c(C)cccn4c3Nc3ccc(C)cc3C)cc2c1 9308509 BMIFYMIBMXNPGR-UHFFFAOYSA-N 424.504 5.520 0 40 HKAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cccc3ccccc23)cs1 9707688 BGFRZQRISFVZCM-UHFFFAOYSA-N 422.531 5.009 0 40 HKAB Cc1cc2nc(-c3ccc(CNC(=O)COc4cccc(C)c4C)cc3)oc2cc1C 10120444 PPDKYIGQJHBSQS-UHFFFAOYSA-N 414.505 5.424 0 40 HKAB CC[C@H](NC(=O)CCn1c(-c2cccc(C)c2)n[nH]c1=S)c1ccc(Cl)cc1 10423374 XCNDBJBSAAKZFS-SFHVURJKSA-N 414.962 5.227 0 40 HKAB Cc1c(Cl)cc2nc(S[C@@H](C)C(=O)c3ccc4c(c3)CCC4)oc2c1Cl 12372429 WEBBZKWCGGUXTF-NSHDSACASA-N 406.334 6.295 0 40 HKAB O=C1Nc2ccccc2/C1=C/c1cc(Br)ccc1OCc1cccc(F)c1 12468902 SBCRLEMCIOQBPN-UNOMPAQXSA-N 424.269 5.660 0 40 HKAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1SCc1cscn1 12815868 KGUWGAYKVLATAS-UHFFFAOYSA-N 406.435 5.009 0 40 HKAB Cc1ccc(COc2ccsc2-c2n[nH]c(SC(=O)Cc3ccccc3)n2)cc1 12954771 CHHLKMJQKCQDMH-UHFFFAOYSA-N 421.547 5.282 0 40 HKAB O=c1c2ccccc2nc(/C=C/c2ccccc2Cl)n1-c1cccc2ccccc12 13800861 ICGYVFXMSZGHKR-WUKNDPDISA-N 408.888 6.363 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)CCn2c(-c3ccc(OC)cc3)n[nH]c2=S)cc1 14245744 OKKBEUHQVVLQSR-HNNXBMFYSA-N 410.543 5.159 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(C(=O)c4ccc(OC)cc4)c(C)c3c2)cc1 15729486 PZWCQLRGGZRZMN-UHFFFAOYSA-N 415.445 5.242 0 40 HKAB biogenic Cc1ccc(Nc2nc(C)c(NC(=O)c3ccco3)c(Nc3ccc(C)cc3)n2)cc1 15729911 NPXZROQIAHEQBC-UHFFFAOYSA-N 413.481 5.734 0 40 HKAB Cc1ccc(N(Cc2nc3ccccc3nc2C)Cc2nc3ccccc3nc2C)cc1 16292595 NZSBGYFEPCEWRN-UHFFFAOYSA-N 419.532 5.705 0 40 HKAB Cc1ccc(C[C@@](O)(CC(O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1C 16954187 CIEXEEJFTYKRAH-GDLZYMKVSA-N 422.568 6.060 0 40 HKAB COc1c(C)cccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(C)cc3o2)c1 17087530 WBYIMEYGHHNRQA-UHFFFAOYSA-N 406.869 6.026 0 40 HKAB CCOc1cc(CN[C@H](Cc2ccsc2)c2nc(C)c(C)s2)ccc1OC 19532151 IYDSPBNVEWHUIG-GOSISDBHSA-N 402.585 5.302 0 40 HKAB COc1cccc2cc(C(=O)N(Cc3ccccc3)Cc3cccc(C)n3)c(C)nc12 19664750 YEMBJUXOUMJDGG-UHFFFAOYSA-N 411.505 5.098 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 27698691 ZQRKOUYEBZGGSE-UHFFFAOYSA-N 400.931 5.779 0 40 HKAB COc1ccc(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 28579241 IPSMNCJZKPWOJJ-UHFFFAOYSA-N 422.333 5.398 0 40 HKAB O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCCC1)c1cc(-c2cccs2)on1 32623317 UKXSKWHHVWRXFC-GOSISDBHSA-N 415.946 5.014 0 40 HKAB O=C(NCc1coc(-c2cccs2)n1)N[C@H](c1ccc(F)cc1)c1cccs1 32795105 FNFBKLNVNMKBQY-GOSISDBHSA-N 413.499 5.193 0 40 HKAB CCOc1ccc2nc(Cl)c(CN(Cc3cccnc3)C(=O)c3ccco3)cc2c1 35311148 FVSWNCQGLRQMKK-UHFFFAOYSA-N 421.884 5.118 0 40 HKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 38771660 KWRAGEZEUAKGFA-BTUURDQESA-N 417.593 6.567 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(Cc2c(F)cccc2Cl)CC1 39752554 SFVFASLBFSKEGD-UHFFFAOYSA-N 415.723 5.637 0 40 HKAB Cc1cc(Br)c2oc(-c3cccc(I)c3)nc2c1 40542313 UVLMCTAZGHGOHV-UHFFFAOYSA-N 414.040 5.170 0 40 HKAB COc1ccc(-c2cnc(SCc3ccccc3)n2-c2cccc(Cl)c2)cc1 44087280 MYVYVRNWWJAZME-UHFFFAOYSA-N 406.938 6.494 0 40 HKAB Cc1cccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 44909702 DWYNXHAGZPWPGC-UHFFFAOYSA-N 419.396 5.263 0 40 HKAB CC(C)(O)c1ccccc1-c1ccc2nc(/C=C\c3ccc(C(F)(F)F)cc3)[nH]c2c1 51246625 ORDHXXHTBUZRCN-ZROIWOOFSA-N 422.450 6.647 0 40 HKAB CC1(C)[C@](C#N)(C=C(Cl)Cl)[C@]1(Cc1cccc(Oc2ccccc2)c1)C(=O)O 59441007 KTIUJQVCYUDHCV-FGZHOGPDSA-N 416.304 5.961 0 40 HKAB COc1ccc(Cn2c(SCc3cccc(C)c3)nc3ccccc3c2=O)cc1 67258814 DMSKPOXJZTWLAX-UHFFFAOYSA-N 402.519 5.054 0 40 HKAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccco2)c1 71844326 FFJNGOJEPWDFGU-FGZHOGPDSA-N 402.494 5.330 0 40 HKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CC1 72215380 YCLLZKMQSYXEEA-KRWDZBQOSA-N 403.523 5.058 0 40 HKAB CC(C)n1c(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)nc2ccccc21 72288880 GKUKYHUWDJWBMJ-CYBMUJFWSA-N 406.313 5.008 0 40 HKAB O=C(CCc1cccc(Cl)c1)N1CCC[C@H](c2ccc(Nc3ccccn3)cn2)C1 72353409 UNKIOKDDSKHEBW-IBGZPJMESA-N 420.944 5.212 0 40 HKAB Cc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc(C)c3)C2)cc1 89632072 IOCOFNSLPBJXJQ-DEOSSOPVSA-N 404.535 5.152 0 40 HKAB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NNc2ccccc2C(F)(F)F)c1 89652265 JCWXVAKVUXJWDC-UHFFFAOYSA-N 407.823 5.523 0 40 HKAB FC(F)(F)[C@H]1CCCN(Cc2ccccc2CN2CCC[C@H](C(F)(F)F)C2)C1 95953784 CFRFOCRTJYWZJH-ROUUACIJSA-N 408.430 5.235 0 40 HKAB CCS(=O)(=O)Nc1ccccc1-c1cc(-c2ccccc2)c2cc(C)ccc2n1 96012474 MYIJMHBBBSLKFM-UHFFFAOYSA-N 402.519 5.639 0 40 HKAB CCCCc1ccc2[nH]c(C)c(CN(Cc3ccccc3)Cc3ccccc3)c(=O)c2c1 96300407 DKUXGTQDBWMRAX-UHFFFAOYSA-N 424.588 6.382 0 40 HKAB CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(O)=C2[C@H]1c1cccnc1 101268561 WARCHNXBEVFXCH-KDYSTLNUSA-N 423.516 5.960 0 40 HKAB Cc1cccc2c(C(=O)NCC(C)(C)c3ccc(F)cc3)cc(-c3cccnc3)nc12 141551155 XYSOTIFTAJUDCX-UHFFFAOYSA-N 413.496 5.452 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc(C)cc2C)sc2c1CCCC2 222956458 WPRCZMAWKGFJRB-QGZVFWFLSA-N 415.555 5.217 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)c1 224228256 RSMGZBNYYVQWCX-DHIUTWEWSA-N 402.567 5.320 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(SCC(C)C)s1 224763442 KSYPXOPXNOHPNU-CYBMUJFWSA-N 402.010 5.449 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCCCC1 225657601 TZYVWCFXTXHMEU-NRFANRHFSA-N 416.606 5.398 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCC(C)CC1 225720799 PLNNFDJLALFEDF-UHFFFAOYSA-N 416.606 5.255 0 40 HKAB CCOP(=O)(OCC)C(F)(F)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 306145772 PSPNZMTVPPAFNW-KRWDZBQOSA-N 403.793 6.352 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1 408619525 CNSMTJZGHDKQAR-UHFFFAOYSA-N 400.478 6.153 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2cccc(Cl)c2)cc1 408696723 BLGRLABKOKJKOW-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccc(F)cc2)cc1 408699037 QZZUDLGAMCMZQP-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB CC1CCN(C(=S)Oc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)CC1 408721426 HJRXWTAEWHGJLN-UHFFFAOYSA-N 404.535 5.488 0 40 HKAB O=C1Nc2ccccc2S/C1=C\c1cccc(OCc2cccc3ccccc23)c1 409107455 PZCMMSDLYXSXPL-XYGWBWBKSA-N 409.510 6.504 0 40 HKAB CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccc(C)cc1 409154889 LCFVVJXVKUWKLD-UHFFFAOYSA-N 402.523 5.157 0 40 HKAB O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2cccc(Cl)c2)N1c1ccccc1 409328727 AIHQWZCSRIDXEZ-SANMLTNESA-N 424.931 6.706 0 40 HKAB COc1ccc(C[C@@H](C)C(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1 530458491 QAXAMCLTLKRNRC-HXOBKFHXSA-N 421.516 5.157 0 40 HKAB CCOc1ccc2c(c1)N(C(=O)C(F)(F)F)C(C)(C)c1ssc(=S)c1-2 647698 ZJJBMXZCACNNBJ-UHFFFAOYSA-N 405.488 5.749 0 40 HKAB Cc1cc(C(=O)CSc2cccc(C(F)(F)F)c2)cc(C)c1OC(=O)N(C)C 1397554 TXJARFVLZQIICC-UHFFFAOYSA-N 411.445 5.358 0 40 HKAB COCc1cc(C)nc2sc3c(c12)N[C@@H](C1CCCCC1)n1c-3nc2ccccc21 1421457 RFFOJADQZNLITR-JOCHJYFZSA-N 418.566 6.272 0 40 HKAB O=C1C(Nc2cccc(Cl)c2)=C[C@@H](c2cccs2)N1c1cccc(Cl)c1 1426240 HYWHWCCTBRVMOA-SFHVURJKSA-N 401.318 6.139 0 40 HKAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(Oc2ccccc2)cc1 1960799 ODPJQNUGSIDDTB-UHFFFAOYSA-N 416.260 5.581 0 40 HKAB O=C(c1ccccc1Cl)c1cc(Cl)ccc1NC(=O)c1cccnc1Cl 2157454 VKEWPGHHJZDDJK-UHFFFAOYSA-N 405.668 5.525 0 40 HKAB COc1ccc(-c2cc(C(=O)Oc3ccc(Cl)cc3Cl)c3ccccc3n2)cc1 2312833 JVNHSMACFXPOII-UHFFFAOYSA-N 424.283 6.436 0 40 HKAB O=C(Cc1coc2ccc3ccccc3c12)Nc1nc(-c2ccccc2Cl)cs1 2653116 RSGHSJBDOLNYAN-UHFFFAOYSA-N 418.905 6.544 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 2748102 VIVWBXCYNRYMRW-UHFFFAOYSA-N 401.462 5.520 0 40 HKAB COc1ccc(NC(=S)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)cc1 3234094 KPZQNJBQCVNSIQ-OAQYLSRUSA-N 402.947 5.016 0 40 HKAB COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)c(OC)c1 3247695 SGLDTOMHHOALBL-UHFFFAOYSA-N 413.477 5.117 0 40 HKAB CCc1cccc(CC)c1NC(=O)CSc1nc2ccccc2n1-c1ccccc1 3270432 YFUWYNIKLXWPGV-UHFFFAOYSA-N 415.562 5.881 0 40 HKAB CC[C@@H](NC[C@H](O)COc1ccccc1C(C)C)c1ccc(Br)cc1 3441557 DSZGNJFNCOPFRU-AZUAARDMSA-N 406.364 5.053 0 40 HKAB Cc1ccc(-c2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cs2)cc1 3449752 LNFBXAQPNHJKLL-UHFFFAOYSA-N 409.492 5.190 0 40 HKAB Brc1ccc(-c2csc(N3CCC(Cc4ccccc4)CC3)n2)cc1 4577149 PXCLIBXNICTADG-UHFFFAOYSA-N 413.384 6.032 0 40 HKAB Cc1ccc([C@@]23C[C@H](C)Sc4ccccc4N2C(=O)[C@@H]3Oc2ccccc2)cc1 4659003 CLEPDLDNNVKAJL-VVMVZBAXSA-N 401.531 5.569 0 40 HKAB CCCCc1ccc(NC(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 4863542 WEMASSJIQJJUFZ-UHFFFAOYSA-N 413.945 5.676 0 40 HKAB CCCOc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)cc1 5064030 VPRBPOFPRDBONF-UHFFFAOYSA-N 424.548 6.005 0 40 HKAB CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SC/C=C/c2ccccc2)o1 5100833 BQYFFDGURDLXAC-KQPPXVQYSA-N 403.548 5.487 0 40 HKAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)CC2CCCC2)c1 5107055 WDUUFJQRUZXKPU-UHFFFAOYSA-N 422.481 5.221 0 40 HKAB FC(F)(F)c1cccc(CSc2ncnc3c2cnn3Cc2ccccc2)c1 5477834 GZKPZLULSLQDEI-UHFFFAOYSA-N 400.429 5.186 0 40 HKAB CC(=O)N(CC[C@@H](c1ccc(F)cc1)c1ccc(OC(C)C)cc1)Cc1ccccc1 5478160 OIKSDJBYBRZNAG-MHZLTWQESA-N 419.540 6.184 0 40 HKAB CCCCC1=N[C@@H]2Sc3c(ncnc3N(CCCC)CCCC)[C@H]2C2=C1CCC2 6309853 FQJXDRVNTPSMQQ-HYBUGGRVSA-N 412.647 6.524 0 40 HKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 6995425 RLBIDTCWEJEYCH-WUMKDDEVSA-N 408.538 5.443 0 40 HKAB Cc1ccc2nc(-c3ccc(NC(=O)CN[C@@H]4CCC[C@H](C)[C@@H]4C)cc3)sc2c1 7141318 WVIZROQDRHVFIV-ABSDTBQOSA-N 407.583 5.625 0 40 HKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1cccc(/C=C/c2ccccn2)c1 7734590 XUMCQIPBNCWCCA-CCEZHUSRSA-N 422.532 5.626 0 40 HKAB COc1ccc([C@H]2CCCN2c2nc(-c3cccnc3)nc3ccccc23)c(OC)c1 8278665 WCEYYDMPNDHDFX-JOCHJYFZSA-N 412.493 5.051 0 40 HKAB CCCN(C(=O)c1cccc(Cl)c1)C1(C(=O)Nc2ccccc2)CCC(C)CC1 8329200 WCOOALSKIBIQFI-UHFFFAOYSA-N 412.961 5.780 0 40 HKAB O=C(Nc1ccc2nc(-c3cccc(F)c3)oc2c1)C(c1ccccc1)c1ccccc1 8385012 IMQQFNQLWUPVPH-UHFFFAOYSA-N 422.459 6.405 0 40 HKAB CC(C)Oc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 8562969 RIEWYTFYOKZRQL-GOSISDBHSA-N 402.494 5.217 0 40 HKAB COc1cc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)cc(OC)c1OC 9088953 KNYHAQSCNFCFLM-UHFFFAOYSA-N 420.896 6.090 0 40 HKAB O=C(Nc1ccc(F)cc1F)c1cn(Cc2ccccc2)nc1OCc1ccccc1 9100492 RUCKNOLGWUKSFA-UHFFFAOYSA-N 419.431 5.041 0 40 HKAB COc1ccc([C@@H]2CC(=O)N(Cc3ccccc3F)c3ccccc3S2)cc1OC 9414543 HUCYYLRQKIPMBF-QHCPKHFHSA-N 423.509 5.613 0 40 HKAB CCOc1ccc([C@@H]2C[C@@H](c3ccccc3F)n3c(nc4ccccc43)N2)cc1Cl 9496684 ZTSZAMUADDQYKD-UNMCSNQZSA-N 421.903 6.374 0 40 HKAB O=C(Nc1cc(NC(=O)c2ccc(F)cc2)c(Cl)cc1Cl)c1ccc(F)cc1 12285044 CFSZZSJOHNXJEJ-UHFFFAOYSA-N 421.230 5.776 0 40 HKAB O=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1Nc1ccc(F)cc1 12419594 UKCRKXITXWDYSF-UHFFFAOYSA-N 400.456 5.119 0 40 HKAB CCc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)cc1 12651138 VUZZNSQUYSMSFG-UHFFFAOYSA-N 414.505 6.442 0 40 HKAB CSc1ccc(CN(C)[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)cc1 12812077 BABSLUZLZIQUEH-ZDUSSCGKSA-N 411.552 5.160 0 40 HKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 12895658 ISNOOSUBCIVHLI-IBGZPJMESA-N 411.505 5.140 0 40 HKAB COc1ccc(NC(=O)[C@@H](N[C@@H](C)c2cccs2)c2ccccc2)cc1Cl 12974411 CZNBVKLUCXWFJV-XOBRGWDASA-N 400.931 5.441 0 40 HKAB CSCC[C@@H]1Oc2ccccc2[C@H]2CC(c3cccc(Br)c3)=NN12 13758269 JIFSUSNWFDLSOD-MJGOQNOKSA-N 403.345 5.072 0 40 HKAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1 17092944 KJMZWTCEWDECNX-ZDUSSCGKSA-N 422.381 5.499 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 18210284 MVUUOFFQPAWTMQ-GOEBONIOSA-N 424.810 5.351 0 40 HKAB O=S(=O)(NCCCc1ccccc1Cl)c1ccc(Oc2ccccc2)cc1 20452495 FRWISODFOCIXQU-UHFFFAOYSA-N 401.915 5.043 0 40 HKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1ccccc1C 21005565 YXKJNHOVGMPHKM-DEOSSOPVSA-N 409.489 5.334 0 40 HKAB CC(C)Cc1ccc([C@H](C)NC(=O)CSc2nnc3sc4ccccc4n23)cc1 21283821 HQSACAWKBNHYKV-HNNXBMFYSA-N 424.595 5.112 0 40 HKAB CC(C)[C@H](NCc1cc(=O)n2cc(Cl)ccc2n1)c1ccc(C2CCCCC2)cc1 21584301 IMDCVMLSARQXGN-VWLOTQADSA-N 423.988 5.883 0 40 HKAB CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)C2CCOCC2)cc1 23271117 WKOGQXUGFTXPAC-UHFFFAOYSA-N 409.404 5.262 0 40 HKAB CSCc1nnc(SCC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)o1 24755737 SYOMKRWGHOFHMJ-UHFFFAOYSA-N 409.536 5.066 0 40 HKAB Cc1ccc(C(=O)N[C@@H](Sc2ccc(Cl)cc2)C(=O)c2cccs2)cc1 26966993 LDQVGOBIPNDECH-FQEVSTJZSA-N 401.940 5.441 0 40 HKAB CCOc1ccc(N(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 28579259 IFPGMWDFIHVSHF-UHFFFAOYSA-N 419.905 5.273 0 40 HKAB CC[C@@H](C)c1ccc(Nc2nc3ccccc3nc2Nc2ccc([C@H](C)CC)cc2)cc1 32647075 TZNNNOALACDCHW-WOJBJXKFSA-N 424.592 8.144 0 40 HKAB CC(=O)c1ccc(N2CCN(C(=O)Nc3ccccc3Oc3ccccc3)CC2)cc1 40099100 HNLPQGHSVNKPFQ-UHFFFAOYSA-N 415.493 5.036 0 40 HKAB CC(=O)c1sc(N(C(=O)OC(C)(C)C)c2cccc(C(F)(F)F)c2)nc1C 43779615 OTUPPQVJOCZQCP-UHFFFAOYSA-N 400.422 5.746 0 40 HKAB Cc1ccc2c(Nc3ccc(C(C)C)cc3)c(C(=O)N3CCC(C)CC3)cnc2n1 49005483 LYNCCHDXIXGZEB-UHFFFAOYSA-N 402.542 5.677 0 40 HKAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(Cl)cc1)OCN(Cc1ccccn1)C3 54313348 PDJDJWJHPVBZKS-UHFFFAOYSA-N 418.880 5.169 0 40 HKAB biogenic Cc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccc(C)c(C)c4)c3)nc2c1 59312965 CHQZKYZFQPCJQB-UHFFFAOYSA-N 400.478 5.746 0 40 HKAB COc1ccc(N(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)[C@@H](C)C2CC2)cc1 60306821 MHFQXYGAZVHHDX-IBGZPJMESA-N 403.526 5.002 0 40 HKAB COc1ccc(C)cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 63451230 NQDHTTWXKKFHHM-UHFFFAOYSA-N 402.425 5.717 0 40 HKAB O=c1c2sccc2nc(SCc2cc(F)ccc2F)n1Cc1ccc(F)cc1 71327577 HLMCQALECMZHCV-UHFFFAOYSA-N 418.465 5.216 0 40 HKAB Brc1cccc(C2(c3nnc(CC4CCCCC4)o3)CCOCC2)c1 71889970 YVJFSKPMSLKESD-UHFFFAOYSA-N 405.336 5.051 0 40 HKAB CCC(=O)N1N=C(c2ccccc2C)C[C@@H]1c1cc2cc(OC)ccc2nc1Cl 71924220 AXFGQJLXCYQMEA-OAQYLSRUSA-N 407.901 5.293 0 40 HKAB COc1ccccc1Cc1cccc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 72349056 WNPVQEKLUJMFDX-QHCPKHFHSA-N 414.549 5.020 0 40 HKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(C)c4)n3)C2)cc1 72349873 VKOHDVFVKIIPAK-JOCHJYFZSA-N 413.521 5.035 0 40 HKAB CCc1ccc(-c2nc3c(Br)c(N)c(Br)c(CC)c3o2)cc1 73642715 MIJMYIACDQLWII-UHFFFAOYSA-N 424.136 5.727 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)N3CCC(Cc4nccn4C)CC3)cc2)c1 95430997 WRCRAOLECWUPMV-UHFFFAOYSA-N 404.514 5.007 0 40 HKAB CC1(C)OC(C)(C)c2cccc(Br)c2-c2c(Br)cccc21 95611688 QDQODMPWHQBKSQ-UHFFFAOYSA-N 410.149 6.379 0 40 HKAB Brc1ccc([C@@H]2C[C@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 101073409 CJUVNNNQOLCEKM-PZJWPPBQSA-N 404.311 5.945 0 40 HKAB CC1(C)CC2=Nc3ccccc3N(Cc3ccccc3)[C@H](c3ccccc3)C2=C(O)C1 102649778 NFPPOAFPWPQAEJ-HHHXNRCGSA-N 408.545 7.153 0 40 HKAB CN(Cc1csc(-c2cccs2)n1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 108064417 YBKRXEMNQHRPKO-WBVHZDCISA-N 411.379 5.269 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)c1ccccc1 219383817 RVXYQHSRPIQDQI-OAQYLSRUSA-N 409.938 6.080 0 40 HKAB Cc1c(Cl)cccc1-c1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)o1 222632185 HUQHWZWJNQMHKX-DYXDTQHNSA-N 409.942 5.893 0 40 HKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccc(CSc2ccccc2)cc1 222951454 CRNVNFGOMCQXKS-QHCPKHFHSA-N 405.563 6.392 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1C1CCCCC1 223120368 IRKSUCPJBUJCMD-PKTZIBPZSA-N 402.567 5.178 0 40 HKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 224352541 OSUZWXGZWWCQNF-JWQCQUIFSA-N 424.573 5.612 0 40 HKAB O=C(Nc1ccccc1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224949993 VTZVYWVYFBGDMD-UHFFFAOYSA-N 419.278 6.023 0 40 HKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(OC)c(F)c2)c1 225395554 MXQIYKUSQYNMON-UHFFFAOYSA-N 401.821 5.541 0 40 HKAB COc1ccc(OC)c([C@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 225475465 KABHWQQEZPBKLN-HINJULBWSA-N 421.924 5.775 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225750080 OYBGIGNKRTWBHT-VWLOTQADSA-N 418.622 5.646 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)ccc1OC 225763862 WXVGOERUEHMJRU-UHFFFAOYSA-N 415.917 5.366 0 40 HKAB CCOc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1 225848285 SGFCULJVQFNJIE-UHFFFAOYSA-N 408.489 5.860 0 40 HKAB CCN(C(=O)C(F)(F)F)c1cc(C)c2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 226282118 FZAUQDWOJUWEDB-UHFFFAOYSA-N 424.422 6.385 0 40 HKAB Cc1ccccc1COc1c(Cl)cc(/C=C/c2nnc(N)o2)cc1Br 226341776 PFNRUVZOZKEPMI-VOTSOKGWSA-N 420.694 5.126 0 40 HKAB Cc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408576573 PXJOHORKAYBBIM-UHFFFAOYSA-N 416.373 6.346 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)ccc1OCc1ccccc1 409009706 BMPXXFAFJKFTCG-YIRPMMGJSA-N 411.523 5.499 0 40 HKAB Cc1cccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)c1 409120044 ULSAHSFFOCTTFT-UHFFFAOYSA-N 400.291 6.088 0 40 HKAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(-c3ccc(F)nc3)ccc21 643570270 VQBAFAOLPQEAFU-UHFFFAOYSA-N 411.565 5.663 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc3nc(-c4cccc(F)c4)oc3c2)cc1 722844 WSGPAXKHQKVLGO-UHFFFAOYSA-N 418.468 5.949 0 40 HKAB Cc1ccc(NC(=O)/C(=C/c2cccc3ccccc23)NC(=O)c2ccccc2)cc1 727493 MBWZSVORIGPVOI-BWAHOGKJSA-N 406.485 5.558 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2Br)cc1 826394 ORGDQTWMPCKNQO-UHFFFAOYSA-N 409.283 5.262 0 40 HKAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c(C)c1 937745 ZLFTXRGLCKJCOK-KRWDZBQOSA-N 406.457 5.101 0 40 HKAB O=C(Nc1ccccc1Cl)c1c(NC(=O)C(F)(F)F)sc2c1CCCCC2 1081681 DONFYSLXKGBNQK-UHFFFAOYSA-N 416.852 5.424 0 40 HKAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(CSc2ccccc2)cc1 1101648 PDTJXOBFBHHQDH-UHFFFAOYSA-N 424.525 5.731 0 40 HKAB Cc1ccccc1C(=O)N[C@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl 2054233 BNODRWWUMOEJBW-IBGZPJMESA-N 407.728 5.686 0 40 HKAB CCOc1cc2c(cc1OCC)[C@H](c1ccccc1)N(c1ccc(C)cc1)C(=O)C2 2235476 AYOUWPQWMQEEMZ-SANMLTNESA-N 401.506 5.471 0 40 HKAB CCCCc1nc2sc3c(N4CCC(C)CC4)ncnc3c2c2c1COC(C)(C)C2 2272727 QBRMLSSPDFAJHO-UHFFFAOYSA-N 424.614 5.670 0 40 HKAB O=C1N[C@H](c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)Nc2ccccc21 2571249 CJYFXNUEFFZPLP-QGZVFWFLSA-N 419.790 5.400 0 40 HKAB O=C(N[C@@H]1CCCc2ccccc21)c1oc2ccccc2c1CSc1nccs1 2650820 VQQZMYZWVWGWDK-LJQANCHMSA-N 420.559 5.989 0 40 HKAB Brc1cccc(-c2nnn3c2nc(NC2CCCCC2)c2ccccc23)c1 2713115 QWVRUBZQZLDRDA-UHFFFAOYSA-N 422.330 5.452 0 40 HKAB COc1cccc(-c2nn(Cc3cccc(F)c3)c(-c3cccc(OC)c3)c2C)c1 2733549 PMGNDQFIUPUMHM-UHFFFAOYSA-N 402.469 5.730 0 40 HKAB Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(C(F)(F)F)c3c(c12)CCCC3 2760317 DFKFVDOAWXJNBS-UHFFFAOYSA-N 409.408 5.168 0 40 HKAB COC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)c1ccccc1Cl 2767992 VPQYWAUYUKLVHV-UHFFFAOYSA-N 413.926 6.231 0 40 HKAB Nc1ccc(Sc2ccc(Oc3ccc(Sc4ccc(N)cc4)cc3)cc2)cc1 3067671 OCAJVHOTSPMDPN-UHFFFAOYSA-N 416.571 6.946 0 40 HKAB Cc1ccc(Nc2nnc(SCC(=O)Nc3c(C)cccc3C(C)C)s2)cc1 3234935 KQPXVBNCPFQSCM-UHFFFAOYSA-N 412.584 5.753 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)c3ccccc3n2)cc1 3259824 JYFJHQDZSMHATI-UHFFFAOYSA-N 407.300 6.769 0 40 HKAB CCCCCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2c1=O 3631159 AZLJMGADJXJTQP-UHFFFAOYSA-N 419.909 5.294 0 40 HKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1C 4036330 BCJNVYKSEREIBF-UHFFFAOYSA-N 409.536 5.084 0 40 HKAB O=C(C[C@H](SCc1ccc(Cl)cc1)C(=O)O)c1ccc(C2CCCCC2)cc1 4118430 IPGMIUZSKCOUQC-QFIPXVFZSA-N 416.970 6.347 0 40 HKAB COc1ccc([C@]23c4ccccc4[C@]2(c2ccc(OC)cc2)c2cc(OC)ccc23)cc1 4747911 NQPUVLZZUVMTFE-FQLXRVMXSA-N 420.508 5.708 0 40 HKAB CCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(C)cc1 4848002 GGKVHEWCCSTSTP-QHCPKHFHSA-N 412.599 5.028 0 40 HKAB CCOc1ccccc1C(=O)N(CC)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 4880709 GCVJQUJEHCTTBV-UHFFFAOYSA-N 409.555 5.568 0 40 HKAB CC(=O)Nc1ccc(C(=O)CSc2nc3cc(C)c(C)cc3c3c2CCCC3)cc1 4968368 XVDYPAGPXBXTPU-UHFFFAOYSA-N 418.562 5.664 0 40 HKAB CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)c3c(C)[nH]c4ccccc34)o2)cc1 5170175 QDIPTHXKQOIIBL-AWEZNQCLSA-N 407.495 5.289 0 40 HKAB Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)no1 5204868 GGNWEFARMOFCPZ-OAQYLSRUSA-N 418.424 5.102 0 40 HKAB CCCCc1ccc2nc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)sc2c1 6654483 HZLFEMVARDUVSN-UHFFFAOYSA-N 400.372 5.587 0 40 HKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3c(C)cc(C)cc3Cl)s2)c1 6788311 JLANWPCZGQBNEJ-UHFFFAOYSA-N 418.975 5.591 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](N[C@@H](C)c2ccc3c(c2)OCCO3)c2ccccc2)c1 8038395 PVBXKZOIFLATAT-UQBPGWFLSA-N 416.521 5.105 0 40 HKAB Cc1[nH]c(S[C@H](C(=O)NCc2ccccc2)c2ccccc2)nc1-c1ccccc1 9191771 CVUXCUBUHXZIMY-QHCPKHFHSA-N 413.546 5.535 0 40 HKAB Cc1ccc(C2=N/C(=C/c3ccc(OC(=O)c4cccc(Cl)c4)cc3)C(=O)O2)cc1 9553520 OIYVAWCSOLHLMH-FYJGNVAPSA-N 417.848 5.212 0 40 HKAB COc1ccc(NC(=O)Cn2cc(-c3nnc(-c4ccccc4)o3)c3ccccc32)cc1 11695948 HLNRNEOFCQHPPF-UHFFFAOYSA-N 424.460 5.006 0 40 HKAB CCCCc1ccc(NC(=O)CCc2csc(NC(=O)c3cccs3)n2)cc1 11835196 LGTKLNVNBHWBPV-UHFFFAOYSA-N 413.568 5.371 0 40 HKAB COc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc5ccccc5c4)c3)cn2n1 12441230 GDDBSYFHDRQGET-UHFFFAOYSA-N 408.461 5.119 0 40 HKAB COc1ccc([C@@H](NCc2ccc(C(=O)Nc3ccccc3)cc2)c2ccccc2)cc1 12803272 OZFKKEDYLMPCMX-MHZLTWQESA-N 422.528 5.827 0 40 HKAB COc1cc(OC)c(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)cc1Cl 12909636 UFXIRMPUSXVVSF-UHFFFAOYSA-N 423.856 5.055 0 40 HKAB O=C(c1ccccc1SC[C@H]1CCCO1)N1CC=C(c2c[nH]c3ccccc23)CC1 12989000 APRSJXXRSIOCMT-LJQANCHMSA-N 418.562 5.369 0 40 HKAB Cc1ccc(NC(=O)[C@H](C)n2c(C)nc3sc(-c4ccccc4)cc3c2=O)c(C)c1 13009662 BNCWHNRHHQPVTE-INIZCTEOSA-N 417.534 5.250 0 40 HKAB O=C(Nc1ccccc1Oc1ccccc1)N1c2ccccc2Sc2ccccc21 13717253 CWVOUMVQPABSBD-UHFFFAOYSA-N 410.498 7.314 0 40 HKAB Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc(Cl)cc3Cl)c2c1C 15205331 UFQRWMWXGWTEMV-UHFFFAOYSA-N 424.353 5.239 0 40 HKAB COc1cccc(-c2nc(-c3ccccc3)c(C(=O)Nc3ccccc3)s2)c1OC 15518723 CQVXXPMVUYHELI-UHFFFAOYSA-N 416.502 5.747 0 40 HKAB COc1ccc(NC(=O)c2c(C)oc3ccc(OCc4ccccc4)cc23)c(OC)c1 15880491 QXFOSEGINTYMRL-UHFFFAOYSA-N 417.461 5.590 0 40 HKAB biogenic COc1ccc(-c2cc3c(SCc4cccc(C(F)(F)F)c4)nccn3n2)cc1 16842583 PRDLNBHMCLLUDU-UHFFFAOYSA-N 415.440 5.716 0 40 HKAB Cc1nn2c(N3C[C@@H](C)C[C@@H](C)C3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 18078062 NBYVIVYEPSMFGB-IYBDPMFKSA-N 410.993 6.138 0 40 HKAB CCN(Cc1cnc(C)s1)[C@H]1CCO[C@@H](c2ccc(-c3ccc(OC)cc3)cc2)C1 19711991 KXWDWCPGOZJDSF-WIOPSUGQSA-N 422.594 5.869 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Nc1cccc(C(F)(F)F)c1 22072702 LVUZKWXNAASOKG-UHFFFAOYSA-N 409.770 5.889 0 40 HKAB Cc1cc(C)c(-c2csc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)n2)c(C)c1 24783467 LADIOGANVFHRRL-UHFFFAOYSA-N 423.563 5.422 0 40 HKAB Cc1c(C(=O)Nc2ccccc2F)sc2c1[C@H](c1ccccc1Cl)CC(O)=N2 32091451 OIKGVINVSTYPNV-ZDUSSCGKSA-N 414.889 6.225 0 40 HKAB COc1ccccc1[C@@H]1CC(O)=Nc2sc(C(=O)Nc3ccccc3C)c(C)c21 32105459 ZASGWNQAPFXZEF-INIZCTEOSA-N 406.507 5.749 0 40 HKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1-c1ccccc1 33735701 QKSDJGLTFRYCJG-UHFFFAOYSA-N 406.510 6.883 0 40 HKAB Cn1cc(-c2cc(C(F)(F)F)c3c(-c4ccc(Cl)c(Cl)c4)noc3n2)cn1 36617426 GZKCOUVGRGBUFQ-UHFFFAOYSA-N 413.186 5.616 0 40 HKAB COc1ccc(OC)c(CN(C(=S)Nc2ccc(Cl)cc2Cl)C2CC2)c1 40071333 LIQSOZXRQIPPFG-UHFFFAOYSA-N 411.354 5.372 0 40 HKAB Fc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 40487489 VVYYZXQNNUZIFX-IXCJQBJRSA-N 420.487 6.735 0 40 HKAB O=C(CCc1ccc(F)c(F)c1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 42759953 QNVDUOXBMBALTQ-UHFFFAOYSA-N 404.844 5.098 0 40 HKAB CCOc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)cc1 46078703 RUTOROQFUCKXRM-UHFFFAOYSA-N 414.505 5.239 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078986 XSJDMWNOQMKSGO-UHFFFAOYSA-N 422.887 5.633 0 40 HKAB Cc1cc(Oc2ncccn2)ccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 60106396 LKHHVCLSAAVCEA-KRWDZBQOSA-N 405.498 5.281 0 40 HKAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72214866 TWAQXAXUXPUTMD-HXUWFJFHSA-N 409.530 5.209 0 40 HKAB COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 72349024 JQZSLPRVTSJJLT-OAQYLSRUSA-N 400.522 5.096 0 40 HKAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)c4scnc4C)C3)c2)c1 72354038 MLXNAHDUNFFMGE-OAQYLSRUSA-N 405.567 5.074 0 40 HKAB C[C@@H]1CCCCN1Cc1cccc(NC(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)c1 141576987 INHKZFLYOYQPJG-CQSZACIVSA-N 416.447 5.208 0 40 HKAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1 199412062 GQWMAUMHCMQSQW-OAHLLOKOSA-N 406.448 5.822 0 40 HKAB CC[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(OC)c(OC)c1 218979631 NDLXBLGLZOTQRZ-QFIPXVFZSA-N 405.494 5.164 0 40 HKAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OCC 222577721 XGYZBPHREDGDJU-FASAQXTFSA-N 417.962 5.122 0 40 HKAB Cc1ccc(C)c(OCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 224031567 OPSPDUXTCLCEDM-UHFFFAOYSA-N 409.913 5.345 0 40 HKAB Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)c(I)c1 225027663 GXMQOBAAEWKWAK-UHFFFAOYSA-N 413.258 5.519 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)c(C)c1 225511270 XZACFJAYPBCNBO-HSZRJFAPSA-N 418.562 5.556 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)COc2cc(C)c(Cl)c(C)c2)c2ccccc2O1 225765744 UHTDCAIJWADXGS-LJQANCHMSA-N 401.934 5.534 0 40 HKAB C[C@H](OCCCNC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1ccccc1 245237536 MOCIGAJJUKBTTC-SESVDKBCSA-N 420.578 5.630 0 40 HKAB COc1cccc(Cc2ccc([C@@H]3CCCN3Cc3cn(C)c4ccccc34)nc2)c1 257214235 CLDQKHJSBZAZPX-MHZLTWQESA-N 411.549 5.510 0 40 HKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2cc(F)ccc2F)C1 257229843 FZRIDBZZLVQQDJ-VWPQPMDRSA-N 423.887 5.122 0 40 HKAB O=C(NCCC1=CCCCC1)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 257339262 ZAZCUSAOIYYNMT-UHFFFAOYSA-N 421.556 5.839 0 40 HKAB CCOc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1cc(Cl)ccc1C 408557123 MYVNNZULLJLBBK-UHFFFAOYSA-N 424.928 5.677 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 408624257 BWDRPHLGDZDQIG-UHFFFAOYSA-N 401.944 5.153 0 40 HKAB CCCc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccc(C)cc1 408834675 VSVQZAKYDPLHKX-UHFFFAOYSA-N 412.558 6.990 0 40 HKAB CCc1ccc(NCc2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 409111339 IFUBWJVCIQFPHB-UHFFFAOYSA-N 410.355 6.511 0 40 HKAB CCOc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(C)cc3C)sc2C)cc1 409197428 FEORWOUDCAHMDS-UHFFFAOYSA-N 422.550 5.736 0 40 HKAB O=C(COc1ccc(CNc2ccc(Cl)cc2)cc1Cl)Nc1ccc(F)cc1 409376818 DDIRHEPRCRFAMA-UHFFFAOYSA-N 419.283 5.762 0 40 HKAB COc1ccc(C)cc1NC(=O)c1cnn2c(C(F)F)cc(-c3ccc(C)cc3)nc12 815360 NYVIZWMMXREJJO-UHFFFAOYSA-N 422.435 5.212 0 40 HKAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCCC4)c(Cl)c3n2)cc1 848618 HCKZZLJXGHEVSK-UHFFFAOYSA-N 422.838 5.003 0 40 HKAB Cc1cccc(C(=O)N2CCc3cc(-c4csc(NC5CCCCC5)n4)ccc32)c1 1354409 SIEQRYIPEQENGS-UHFFFAOYSA-N 417.578 6.066 0 40 HKAB O=C(Nc1ccccc1)c1cc(Cl)cn(Cc2ccc(Cl)c(Cl)c2)c1=O 1396450 PTOKOBIMZNEJOG-UHFFFAOYSA-N 407.684 5.109 0 40 HKAB Cc1cccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4cccc(C)c4)cc3)cc2)c1 2069597 DHRIVWISWYGZPG-UHFFFAOYSA-N 420.512 6.475 0 40 HKAB COC(=O)Cc1c(C)c2cc(Cl)c(OCc3ccc4ccccc4c3)cc2oc1=O 2096090 OSFSLSPXCWOFHQ-UHFFFAOYSA-N 422.864 5.203 0 40 HKAB biogenic CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@H](C)C3 2296424 VBCWUUQHZWZVHU-ZDUSSCGKSA-N 400.569 5.083 0 40 HKAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1 2335487 CSMRLMNISSRLPU-UHFFFAOYSA-N 422.510 5.034 0 40 HKAB CCn1c(NC(=O)c2ccc(F)cc2)c(-c2ccc(OC)cc2)c(=O)c2ccccc21 2352932 VGFDGASPRZOKJN-UHFFFAOYSA-N 416.452 5.088 0 40 HKAB CCCOc1ccc(NC(=S)Nc2ccc(OC(F)F)cc2)cc1OCCC 2623535 VMJIVYJRZKFDGW-UHFFFAOYSA-N 410.486 5.675 0 40 HKAB O=C(O)c1ccc([C@H]2NC[C@H](c3ccccc3Cl)c3c2[nH]c2ccccc32)cc1 2653517 XEPVZMXQAWUWOU-XMSQKQJNSA-N 402.881 5.344 0 40 HKAB CN(c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1)C1CCCCC1 2715137 WJJMYPGXQFEEQA-UHFFFAOYSA-N 416.956 6.510 0 40 HKAB CCc1ccc(-c2cc(C(=O)Nc3ccc(C(=O)OC)cc3)c3ccccc3n2)cc1 2742337 ODAIVWITXAWPHN-UHFFFAOYSA-N 410.473 5.503 0 40 HKAB O=c1c2sccc2nc(SCc2ccccc2Cl)n1Cc1ccccc1F 2908972 IUBRDYBMTKGSHT-UHFFFAOYSA-N 416.930 5.591 0 40 HKAB O=C(COC(=O)CCCc1nc2ccccc2s1)Nc1ccc(Cl)cc1Cl 3301804 FRXFFELZRJXOBP-UHFFFAOYSA-N 423.321 5.108 0 40 HKAB S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2cccc(Cl)c2)CC1 3325904 LQISFQDVNKBGNJ-UHFFFAOYSA-N 423.969 5.651 0 40 HKAB Cc1ccc(NC(=O)CSc2nc(Nc3ccccc3)c3ccccc3n2)cc1C 3340109 ULIAAYKGAYWWFY-UHFFFAOYSA-N 414.534 5.721 0 40 HKAB O=C(COc1nncc2ccccc12)Nc1ccccc1Sc1ccc(Cl)cc1 3477060 IHVDYWBMYFQZQR-UHFFFAOYSA-N 421.909 5.452 0 40 HKAB Cc1ccc2c(c1)c1c3n2CCN(c2nc(-c4ccc(Cl)cc4)cs2)[C@H]3CCC1 3623726 KFIHHQMFQPBLST-QFIPXVFZSA-N 419.981 6.624 0 40 HKAB CCCCOc1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(OCCCC)cc2)cc1 4714726 HNDDMVNOCNVGLT-DNQXCXABSA-N 416.514 5.201 0 40 HKAB CCCCC(=O)Nc1cc2nc(CCCC)n(Cc3ccc(OC)cc3)c2nc1C 4848523 PRFUVZRQOLFULA-UHFFFAOYSA-N 408.546 5.268 0 40 HKAB O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)[C@@H](O)c1ccccc1-2 5081945 GYBADYHXHHPWEX-VWLOTQADSA-N 421.452 5.366 0 40 HKAB COc1cc(OC)cc(O[C@@H](C)C(=O)Nc2cc3oc4ccccc4c3cc2OC)c1 5497509 SGOZEAZMJMAMAT-AWEZNQCLSA-N 421.449 5.018 0 40 HKAB CCC(=O)N(CC[C@@H](CCC(C)C)c1ccc(OC(C)C)cc1)Cc1ccccc1 5499185 LGKRMPAXHYCDNC-RUZDIDTESA-N 409.614 6.823 0 40 HKAB COc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 6281793 NEKQMTNHNGCZQF-UHFFFAOYSA-N 408.473 5.081 0 40 HKAB O=C(CSc1nc2cc(Cl)ccc2o1)N1CCC(Cc2ccccc2)CC1 6474873 YUGHFYKFCWNIIB-UHFFFAOYSA-N 400.931 5.055 0 40 HKAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 6531934 MTFLAJMLPWXGJC-HNNXBMFYSA-N 402.523 5.049 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cc(Cl)ccc3C)c2n1 6549765 HEHLAVOLIMITJM-UHFFFAOYSA-N 409.700 5.829 0 40 HKAB Cc1ccc(C)c(NC(=O)c2nc(SCc3ccccc3F)ncc2Cl)c1 6748045 MJIUXUGXACFIBL-UHFFFAOYSA-N 401.894 5.431 0 40 HKAB C[C@@H](SC1CCCC1)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 6784795 KNMVOHODYSWASJ-SNVBAGLBSA-N 401.384 6.120 0 40 HKAB COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 6860777 QQRKJHOEEWPZKA-UHFFFAOYSA-N 408.457 6.217 0 40 HKAB COc1cccc(NC(=O)[C@@H](Sc2ccc(NC(C)=O)cc2)c2ccccc2)c1 6919523 WLGZZZDQVYZMQV-QFIPXVFZSA-N 406.507 5.126 0 40 HKAB CCCc1nnc(S/C(=C\c2ccc3c(c2)c2ccccc2n3CC)C(=O)O)[nH]1 7342304 VBCVIVYPYOGUQY-UYRXBGFRSA-N 406.511 5.103 0 40 HKAB CCn1cc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c2ccccc21 7459434 CIFNRZMILIDEDN-UHFFFAOYSA-N 410.930 5.085 0 40 HKAB Cc1ccc(NC(=O)Cc2nc(-c3cc(C)n(-c4cc(C)on4)c3C)cs2)c(C)c1 8132025 UQEBWTUNXAYWON-UHFFFAOYSA-N 420.538 5.312 0 40 HKAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1csc(-c2cccs2)n1 8897942 DNZWHUXOYAMAMO-UHFFFAOYSA-N 421.551 5.109 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccccc4)s3)c2)s1 9062185 QVEOCIXKWXTXLP-UHFFFAOYSA-N 420.519 5.080 0 40 HKAB Cc1nc2cc(NC(=O)c3sc4ccccc4c3Cl)ccc2n1-c1ccccc1 9369225 BEZKKROHELYRRN-UHFFFAOYSA-N 417.921 6.454 0 40 HKAB CCOc1ccccc1NC(=O)c1cc2ccccc2c(Br)c1OC 9427040 RROVSIBWYTYNQG-UHFFFAOYSA-N 400.272 5.262 0 40 HKAB O=S(=O)(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)c1ccc(Cl)s1 9459887 GVPSDLDAALSVOY-AWEZNQCLSA-N 422.984 5.055 0 40 HKAB CCSc1nnc(NC(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)s1 9466112 KNMPQMJFULCBKJ-UHFFFAOYSA-N 422.535 5.533 0 40 HKAB CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)o2)cc1 9478318 QGLNYHKOUGBHIN-NSHDSACASA-N 421.881 5.047 0 40 HKAB CCCn1c(SCC(=O)N[C@@H](C)c2ccco2)nc2ccc(C(F)(F)F)cc21 11021840 JYSMVOZNTFLZOG-LBPRGKRZSA-N 411.449 5.028 0 40 HKAB O[C@@H](CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)c1ccccc1 11431220 FFXFGQNHHURWIA-NRFANRHFSA-N 421.953 5.473 0 40 HKAB Cc1ccc2oc(-c3ccc(Cl)cc3)c/c(=N/c3ccc(Br)cc3)c2c1 12374313 RONJHEFDZJOYMJ-QQTULTPQSA-N 424.725 7.057 0 40 HKAB CCOC(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)cc1 12606691 ATQNPVYSJSFEPH-UHFFFAOYSA-N 418.497 5.046 0 40 HKAB COc1ccccc1CC(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 12739070 FSFYUUYOCADXTG-UHFFFAOYSA-N 403.356 5.049 0 40 HKAB Cc1occc1-c1nc(NCc2ccc(C(F)(F)F)cc2)ncc1-c1cnccn1 12739533 QVANWGMBMRUCNV-UHFFFAOYSA-N 411.387 5.133 0 40 HKAB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3ccc(Cl)cc3)cccc2c1Cl 12843577 ZCDAEBJOCCZPJB-UHFFFAOYSA-N 421.349 5.989 0 40 HKAB O=C(c1cc(F)cc(F)c1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 13228758 AEBQMUWJLXHSBA-UHFFFAOYSA-N 417.843 5.253 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1nc(SCc2ccccc2)ncc1Cl 13609882 ULSBUGPHHANWJO-UHFFFAOYSA-N 424.740 5.981 0 40 HKAB CCn1nc(C)cc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl 13699931 SOJGIYIYRCVLLY-UHFFFAOYSA-N 402.281 5.002 0 40 HKAB CCOc1ccc/c(=N\C2CCCCC2)c2c(C)n(-c3ccc(OC)cc3)c(C)c12 13799455 ZDOYDLXGJJEPAU-SLEBQGDGSA-N 404.554 5.888 0 40 HKAB CC(C)Nc1nn(CN2CCc3sccc3[C@H]2c2ccccc2)c(=S)s1 14239847 DZURTYXGBYTGGQ-QGZVFWFLSA-N 402.614 5.161 0 40 HKAB Cc1cc(-c2csc(NC(=O)CCc3nc(-c4cccs4)no3)n2)c(C)s1 14248412 MFBOHANQSWNHLI-UHFFFAOYSA-N 416.553 5.171 0 40 HKAB COc1ccc(OC)c([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)c1 16032479 NGTYIDRNJTUKEY-INVJPVLZSA-N 407.554 5.085 0 40 HKAB biogenic Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c(C)c1 17094229 BSBWSKDVHFLRST-DHZHZOJOSA-N 424.953 6.052 0 40 HKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20045598 UDMNINQFPHIBSD-QFIPXVFZSA-N 421.924 5.984 0 40 HKAB O=C(CSCc1ccc(Cl)cc1)NCCSCc1ccccc1Cl 20238124 CUUFFNOZCRGTTF-UHFFFAOYSA-N 400.396 5.276 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 20241889 MOUKXJARSVHTPR-UHFFFAOYSA-N 412.577 6.010 0 40 HKAB O=C(N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1)c1cccc(F)c1 20530532 WQZUOEBCTLVWPU-IBGZPJMESA-N 407.832 5.049 0 40 HKAB COc1ccc(CCNCc2ccc(-c3cc(Cl)ccc3Cl)o2)cc1OC 22076505 GJNMTEBUVFVGKY-UHFFFAOYSA-N 406.309 5.603 0 40 HKAB CC[C@H](C)c1ccc(Nc2nc3ccccc3nc2Nc2ccc([C@H](C)CC)cc2)cc1 32647070 TZNNNOALACDCHW-BGYRXZFFSA-N 424.592 8.144 0 40 HKAB O=C(COc1ccc2ccccc2c1Br)N1CCC[C@H]1c1cccs1 32721825 PJOYGRUAFCYCFB-INIZCTEOSA-N 416.340 5.406 0 40 HKAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 32778040 NPZQHXNKMNFMDN-DEOSSOPVSA-N 413.546 5.364 0 40 HKAB CC(C)(C)[C@H]1C/C(=C/c2cccc(Cl)c2)c2nc3ccccc3c(C(=O)O)c2C1 33888679 NWARGEGVLYRRED-NIFLVVHWSA-N 405.925 6.736 0 40 HKAB O=C1[C@@H](c2ccccc2)[C@@H](c2cccs2)N[C@H](c2cccs2)[C@@H]1c1ccccc1 35941694 UCZYTGZNLXWZAW-CJRSTVEYSA-N 415.583 6.332 0 40 HKAB C[C@H](NC(=O)CCc1c[nH]c2ccccc12)c1cccc(NC(=O)c2ccccc2)c1 36398537 HJVQQKNTDQVFNM-SFHVURJKSA-N 411.505 5.230 0 40 HKAB C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]2CC[C@@]2(C)c3nc4ccccc4c(C(=O)O)c3C[C@@H]12 38138642 ACZYWQWUZBYEPB-GLTOCJCTSA-N 417.549 5.270 0 40 HKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 38771663 KWRAGEZEUAKGFA-AEYMSQMJSA-N 417.593 6.567 0 40 HKAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(Oc2ccccc2)cc1 39858271 MIUALAHUCPJCDO-HNNXBMFYSA-N 412.283 5.647 0 40 HKAB COc1cc(NC(=O)c2csc(-c3ccco3)n2)ccc1NC(=O)OC(C)(C)C 48285873 FGVGQRWMKYZLHY-UHFFFAOYSA-N 415.471 5.011 0 40 HKAB Cc1ccccc1CN(Cc1cccnc1)C(=O)c1csc(Br)c1 58356224 NXNYGYAFPVVXME-UHFFFAOYSA-N 401.329 5.057 0 40 HKAB COc1ccc(Cn2c(SCc3cc(F)ccc3F)nc3ccccc3c2=O)cc1 67258845 AZCCVPJIZNVTIK-UHFFFAOYSA-N 424.472 5.024 0 40 HKAB C[C@H]1CCCCN1c1cc(NC(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1N 72229423 UQWNJKKUYGCWQG-NSHDSACASA-N 412.748 5.860 0 40 HKAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=S)Nc2ccccc2)c(OC)c1 89434787 LCCPPUIDSDHHPW-JOCHJYFZSA-N 417.534 5.252 0 40 HKAB CN1C[C@H](C(=O)c2ccccc2)[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 106345974 GUAHHIHOYRGRSC-RJGXRXQPSA-N 403.909 5.325 0 40 HKAB C[C@@H](CO)CC[C@@H]1O[C@H]2C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@H]1C 118936383 MKUPQRXIRRPHDV-ARFBNMCRSA-N 418.662 5.428 0 40 HKAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccc(F)cc1 195528903 YVTJBQMCEPLZNF-DQWXRXJBSA-N 404.462 5.898 0 40 HKAB Cc1cccc(C)c1NC(=O)/C(=C/c1cccnc1Cl)C(=O)Nc1ccccc1 215739666 OQZQTASATXBSLF-XMHGGMMESA-N 405.885 5.013 0 40 HKAB C[C@@H](NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(Cl)cc1 222629507 AITTYEGDZJTVKC-OAHLLOKOSA-N 421.327 6.700 0 40 HKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4cc(Cl)ccc4C)o3)N21 222715595 DJEHXVPBGXPVBV-KNXBSLHKSA-N 423.969 6.283 0 40 HKAB Cc1ccc(SCc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)cc2)cc1 222909042 YUEAJXJDVACEMX-FQEVSTJZSA-N 415.602 6.657 0 40 HKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(CSc2ccccc2)cc1 223231713 UAOAZOMQOHEXDF-IBGZPJMESA-N 417.574 6.264 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1cccc(C)c1 224111343 MBCUDEUWFBECGT-UHFFFAOYSA-N 415.411 5.854 0 40 HKAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccc(Cl)cc1 224154747 RVNASLDCEPZOSV-UHFFFAOYSA-N 416.304 5.511 0 40 HKAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccccc1C(C)C 224232716 FRLSEBRTUVIMAK-UHFFFAOYSA-N 403.522 5.670 0 40 HKAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccccc1Cl 224475718 ZYMKGEVRAJSLDM-UHFFFAOYSA-N 409.913 5.290 0 40 HKAB CCCOCc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1OCC 224706224 WDEMIIZXZVSESD-UHFFFAOYSA-N 416.732 6.224 0 40 HKAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(C(F)(F)F)cc3)o2)cc1 224858572 IQJQBRJWOYDKSV-UHFFFAOYSA-N 404.388 5.330 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(OC)c3)o2)cc1 224909795 IJZRPBLQJQLWIA-UHFFFAOYSA-N 400.434 5.278 0 40 HKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1Cc1ccco1 225009483 DGYPKAKIFRCOBX-PKTZIBPZSA-N 420.582 5.056 0 40 HKAB CC(C)c1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)cc1 225363534 QQAJGCOFZCATQH-UHFFFAOYSA-N 413.439 6.337 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)ccc1OC(C)C 225680080 SRCBTBSXVOMIKJ-UHFFFAOYSA-N 409.526 5.409 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c2ccccc12 225774345 NGGFMPIPDHZZPT-FQEVSTJZSA-N 417.549 6.012 0 40 HKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCCCC2)cc1 408674847 DCDFEMKCMGTTDJ-UHFFFAOYSA-N 404.510 5.027 0 40 HKAB O=C(Nc1ccc(F)cc1)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 408727688 XATLZNXRBRYMGO-UHFFFAOYSA-N 407.448 6.084 0 40 HKAB COc1cccc(NC(=O)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)c1 408977406 ISZUXCAAJVBHMR-UHFFFAOYSA-N 424.464 5.273 0 40 HKAB CCOc1ccc(NCc2c(OCc3ccccc3F)ccc3ccccc23)cc1 409115816 KWLWORUNZYCYHZ-UHFFFAOYSA-N 401.481 6.569 0 40 HKAB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)c2ccccc2)C1=O 409226603 VBWOEFKROIMCLL-HYARGMPZSA-N 417.486 5.158 0 40 HKAB COCCCN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O 409240480 UBCHCCYEAMNMOJ-RVDMUPIBSA-N 409.916 5.157 0 40 HKAB COc1ccccc1-c1ccc([C@H](C)N(C)C(=O)c2ccc(-n3ccnc3)cc2)cc1 607606781 GNVCCZBEICAJMA-IBGZPJMESA-N 411.505 5.381 0 40 HKAB COCc1c(C(=O)OC(C)C)ncc2[nH]c3cccc(Oc4ccc(Cl)cc4)c3c12 537780 SLYDYLLJUXFULK-UHFFFAOYSA-N 424.884 5.873 0 40 HKAB in-man CC[C@H]1CCc2nc3sc(C(=O)NCCc4ccc(Cl)cc4)c(N)c3cc2C1 661893 BUXPVFARTVUYEH-ZDUSSCGKSA-N 413.974 5.019 0 40 HKAB O=C(CCC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(Cl)cc1Cl 686330 PNUXAQPTSOKFHZ-UHFFFAOYSA-N 414.288 6.387 0 40 HKAB COc1ccc(Oc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1 754041 IQKGIXBNJNUCHP-UHFFFAOYSA-N 407.267 5.860 0 40 HKAB Cc1ccccc1-c1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)o1 857087 RNKLIESBJIJONW-UHFFFAOYSA-N 401.491 5.502 0 40 HKAB COc1ccc(-c2ccnc3nc(SCc4c(Cl)cccc4Cl)nn23)cc1 1384814 OYUVQJKPSCDEAM-UHFFFAOYSA-N 417.321 5.399 0 40 HKAB O=C(C[C@@H](c1ccc(Br)cc1)c1cccc2ccccc12)c1ccccc1 1646499 NJBQUFWYVBXQIC-DEOSSOPVSA-N 415.330 7.007 0 40 HKAB CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCC3 1810266 HKNAILHEPNDHLD-UHFFFAOYSA-N 414.596 5.617 0 40 HKAB Cc1cccc(C(=O)N2c3ccc(F)cc3-c3c(ssc3=S)C2(C)C)c1 2092200 NMAHKIBEMIQDNR-UHFFFAOYSA-N 401.553 6.549 0 40 HKAB CSc1nnc2c(n1)O[C@H](c1ccc(OC3CCCC3)cc1)Nc1ccccc1-2 2095164 GCNASCQLHUHYGM-HXUWFJFHSA-N 406.511 5.085 0 40 HKAB CCc1sc(N(C(=O)C2CCCCC2)c2ccc(C)cc2C)nc1-c1ccccc1 2170626 MMKACJZPOOISSP-UHFFFAOYSA-N 418.606 7.234 0 40 HKAB Fc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1F 2266607 QCCCKSKCLCJYNJ-UHFFFAOYSA-N 402.231 6.625 0 40 HKAB Cc1cccc(O[P@@](=O)(Oc2ccccc2)O[C@@H](c2ccccc2)C(F)(F)F)c1 2274986 NJUYNBCHRXCGCK-AFJIDDCJSA-N 422.339 6.881 0 40 HKAB Cc1ccc([C@@H]2SCC(O)=Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 2393346 LJYHZBQIZFBFDE-DEOSSOPVSA-N 411.530 6.272 0 40 HKAB COc1ccc([C@@H](O)P(=O)(OC2CCCCC2)OC2CCCCC2)cc1OC 2397253 KBQXQPGQMNAITC-NRFANRHFSA-N 412.463 5.586 0 40 HKAB Cc1ccc(C)c(NC(=O)COC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)c1 3232582 PXXVSXXRTYJOQG-CPNJWEJPSA-N 409.482 5.227 0 40 HKAB O=C(COC(=O)c1ccccc1Nc1ccccc1)c1ccc(C2CCCCC2)cc1 3309082 GQRIALIQRUQGIG-UHFFFAOYSA-N 413.517 6.518 0 40 HKAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc2ncsc2c1 3340842 SKURAOOFYRXNBV-HSZRJFAPSA-N 412.470 5.559 0 40 HKAB O=c1c2ccccc2nc(SCc2ccc(Cl)s2)n1-c1ccc(Cl)cc1 3446054 FOSBEDOUDVYIDF-UHFFFAOYSA-N 419.358 6.046 0 40 HKAB CCN(CC)CCCN(C(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2)cs1 4214942 CTZRVLWWCNVIHZ-UHFFFAOYSA-N 417.962 5.435 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 4554942 BGTZBEGRFBZAOH-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB COc1ccc(C2=NN(c3nc(-c4ccc(C)cc4)cs3)[C@@H](c3ccco3)C2)cc1 4603334 NMUSTYYHHBRSMQ-JOCHJYFZSA-N 415.518 6.076 0 40 HKAB COc1cccc(-c2cc(C(F)(F)F)nc(N3C[C@]4(C)C[C@H]3CC(C)(C)C4)n2)c1 4757750 TVGVACZMYUWTHM-QVKFZJNVSA-N 405.464 5.576 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccccn3)c3ccccc3n2)cc1 4881283 BPJAGADTCNYNQL-UHFFFAOYSA-N 419.488 5.352 0 40 HKAB O=C(c1ccc(F)cc1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 5444562 NKELGKZCMVRODQ-RKVPQODOSA-N 410.492 6.263 0 40 HKAB CC(=O)Nc1cccc(Oc2nc(-c3ccc(OC(C)C)cc3)nc3ccccc23)c1 5556589 SQKVYUVKLNOBMN-UHFFFAOYSA-N 413.477 5.835 0 40 HKAB COc1ccc(Cc2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)cc1 5561556 INOCNEWIVUFJOL-OAHLLOKOSA-N 406.555 5.089 0 40 HKAB COc1cc(C)c(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1OC 5616940 WCVJDMNXUSGAAT-UHFFFAOYSA-N 404.825 5.020 0 40 HKAB CCOc1ccc(C(C)=O)cc1CSc1nc2ccccc2n1-c1cccc(C)c1 5902031 NRCYTMLZGXKJFN-UHFFFAOYSA-N 416.546 6.228 0 40 HKAB O=C(CSc1ccc(Br)cc1)Nc1ccc(Oc2ccccc2)cc1 6215495 MGQXGDZOJHNTKJ-UHFFFAOYSA-N 414.324 5.972 0 40 HKAB O=C(NC1CCC(CC2CCC(NC(=O)c3ccccc3)CC2)CC1)c1ccccc1 6337869 CRDXVZUJIHHNDM-UHFFFAOYSA-N 418.581 5.354 0 40 HKAB CCCN(CCC)c1nc(Nc2cccc(F)c2)c2cnn(-c3ccccc3)c2n1 7452172 GPYYUOAPRDFXKL-UHFFFAOYSA-N 404.493 5.325 0 40 HKAB COc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl 8535319 LCYIXSQDTNGZKB-MRXNPFEDSA-N 416.348 6.432 0 40 HKAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c(OC)c1 8902916 CEBBTXHFEYBHAO-UHFFFAOYSA-N 416.477 5.888 0 40 HKAB O=C(Nc1ccccc1OCc1ccccc1)c1ccccc1OCc1ccccc1 8905874 SLKUDLCOCKSVFG-UHFFFAOYSA-N 409.485 6.097 0 40 HKAB O=C1c2ccccc2[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1Cc1cccs1 9944302 OFHFMGJTFBZYPX-SANMLTNESA-N 420.537 6.642 0 40 HKAB CCOc1ccc(/N=c2\scc(-c3ccc(Cl)s3)n2[C@@H](C)COC)cc1 12622874 KPEXKONMJJDLHI-OMEIHDDLSA-N 408.976 5.770 0 40 HKAB CCn1c(SCc2cn3cc(C(F)(F)F)cc(Cl)c3n2)nc2ccccc21 12655182 PYLRNQPAIPNYFQ-UHFFFAOYSA-N 410.852 5.668 0 40 HKAB O=C(Nc1ccc(Cl)cc1F)c1ccccc1-c1ccc(Cn2cccn2)cc1 12808092 VSBLQZJDDHZJDD-UHFFFAOYSA-N 405.860 5.643 0 40 HKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Nc1c(C)nc2ccccn12 13120180 ITFMVLRXEYOOJA-UHFFFAOYSA-N 420.494 5.192 0 40 HKAB Cc1ccc(-c2c([C@@H]3c4ccccc4C(=O)N3CCC(C)C)c3ccccc3n2C)cc1 13942413 XIGRIJQPDHQWEU-NDEPHWFRSA-N 422.572 6.745 0 40 HKAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)c1C 14405273 KGJCVMLEPIXQPO-LFIBNONCSA-N 416.525 5.204 0 40 HKAB Cc1ccc2oc(-c3cc(NC(=O)COc4ccccc4Cl)ccc3O)nc2c1 15833173 LQGNIPVQNMTAIG-UHFFFAOYSA-N 408.841 5.180 0 40 HKAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)Nc1nc2ccccc2s1 16708419 ZUKJNHRRQSJPMX-UHFFFAOYSA-N 415.927 5.166 0 40 HKAB Fc1ccccc1-c1cc(-c2ccccc2F)n(-c2ccc(Cl)c(Cl)c2)n1 17082124 KQIXDVATAMGWCY-UHFFFAOYSA-N 401.243 6.791 0 40 HKAB COCCc1ccc(-c2csc(NC(=O)Cc3cccc(C(F)(F)F)c3)n2)cc1 18830295 XSZLFHGZRHAENR-UHFFFAOYSA-N 420.456 5.199 0 40 HKAB COc1ccc(/C=C2\C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)O)cc1 19229878 GAPWIIRKBBTHQT-VJSYINPZSA-N 401.506 6.091 0 40 HKAB O=C(Nc1ccccc1Cl)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 19932319 KMJGGTYAFMEZHM-UHFFFAOYSA-N 421.305 5.047 0 40 HKAB Cc1cccc([C@H]2CC(=O)c3c(C)nc(Nc4nc(C)c5ccccc5n4)nc3C2)c1 20634876 DNZWCTAKLIYNPF-GOSISDBHSA-N 409.493 5.001 0 40 HKAB CCN(CC)CCN[C@H](Cc1ccccc1)c1ccc(OCc2ccccc2)cc1 22871027 ZPOYFNXJMYZMJI-HHHXNRCGSA-N 402.582 5.481 0 40 HKAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)c1ccccc1Br 24876684 KDBQIFHEUXIOOE-NRFANRHFSA-N 406.279 5.715 0 40 HKAB CCCCOc1ccccc1C(=O)NC[C@H](c1cccs1)N1CCCCCC1 27662470 KQORUJZUJFUQAD-HXUWFJFHSA-N 400.588 5.274 0 40 HKAB CCCOc1ccc(C(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCCCC2)cc1 28292433 WPWKJJDNOKWBJB-RUZDIDTESA-N 408.586 5.556 0 40 HKAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)COc3cccc(C)c3C)n2)cc1 32622920 VDYQUZGHIMKYDW-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB Cc1ccc(Nc2c(-c3cc(C(C)C)c(O)c(C(C)C)c3)nc3ncccn23)c(C)c1 35615752 JHATVVDVBXSHOB-UHFFFAOYSA-N 414.553 6.709 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 36409448 NWQBDOPDVUJEGJ-RUXQDQFYSA-N 404.679 6.439 0 40 HKAB COC(=O)c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 44199931 LXILYFUEXNSTJB-UHFFFAOYSA-N 420.086 5.130 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2cccc3ccccc23)[nH]n1 44838308 UWSDRUVQCLIJKX-UHFFFAOYSA-N 415.802 6.154 0 40 HKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 44902635 IVKLGIRDEKXZFD-BTUURDQESA-N 417.593 6.567 0 40 HKAB Cc1cc(-c2oc(/C=C/C(=O)O)cc2Br)cc(C)c1Br 45888718 DQRBMBIPCVPZAS-ONEGZZNKSA-N 400.066 5.186 0 40 HKAB Cc1oc(-c2cccs2)nc1C(=O)O[C@H](C)c1nc2ccccc2n1C(F)F 46540670 NQTCMPKWUCUPPK-LLVKDONJSA-N 403.410 5.374 0 40 HKAB COc1ccc(CN2COc3c(cc4c(-c5ccccc5)cc(=O)oc4c3C)C2)cc1 55393765 ITZMJKXCZYAVNB-UHFFFAOYSA-N 413.473 5.129 0 40 HKAB biogenic O=C(COc1ccccc1Cl)NCc1ccc(-c2ccc(Br)cc2)o1 57317057 SFOAMMSVZHFWIO-UHFFFAOYSA-N 420.690 5.058 0 40 HKAB CCc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(C)cn2)cc1 67295164 OCGIPQGCYIZLSK-PNHLSOANSA-N 417.896 5.837 0 40 HKAB Clc1ccc(NCc2nn3cc(-c4ccccc4Cl)c4c3n2CCCC4)cc1 70453432 VGNDMECEVSMVKZ-UHFFFAOYSA-N 411.336 6.058 0 40 HKAB Cc1nn(C(C)C)c(C)c1NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)c(C)[nH]1 72305877 LIIIQQMJKBCMQE-IBGZPJMESA-N 406.534 5.148 0 40 HKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 95933386 FNKOKHZCQSJJOQ-KFALDFEMSA-N 424.713 8.089 0 40 HKAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ccccc1Br 96102829 NTCXTMHFLQNTDA-UHFFFAOYSA-N 421.747 5.464 0 40 HKAB O=C1Nc2ccc(Cl)cc2/C1=C\c1nn(Cc2ccccc2)cc1-c1cccnc1 96766574 LGPCOKYYFCIRAA-UDWIEESQSA-N 412.880 5.140 0 40 HKAB CC(C)Oc1cccc(CNC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 113949049 PXYTVBDFEBYLRD-UHFFFAOYSA-N 421.562 5.575 0 40 HKAB CC(=O)[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 118926379 JGDUMOBWECEMIZ-QCHLYOEDSA-N 404.594 6.654 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2cccc(Cl)c2)c1 224144334 UXQZMDUVHBCHFF-UHFFFAOYSA-N 409.913 6.051 0 40 HKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 225190742 WPGDHBOPRHYQCW-DEOSSOPVSA-N 424.560 5.015 0 40 HKAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCc1ccc(Cl)c(Cl)c1 225340622 JWAIAIMYVNVDBS-UHFFFAOYSA-N 424.715 5.288 0 40 HKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225615297 LPSOTWVYZLNYIX-UHFFFAOYSA-N 418.622 5.213 0 40 HKAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1ccc(-c2ccsc2)cc1 225615766 CKVVLGNDMLIHGA-UHFFFAOYSA-N 414.486 5.463 0 40 HKAB CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C)C(C)C 256449044 OQMZNAMGEHIHNN-UGNBPXPPSA-N 410.686 7.721 0 40 HKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)cc1 260492704 MQACNSIEWQLTOA-NBGIEHNGSA-N 408.586 5.444 0 40 HKAB Cc1ccc2c(c1)Cc1cccc(c1)CN(Cc1ccc(F)cc1)CCCCCO2 643580400 WWDFTCKOQJJZJW-UHFFFAOYSA-N 403.541 6.290 0 40 HKAB CC(C)(C)OC(=O)c1ccc(OCCCCCCCCCCCCC(=O)O)cc1 1857780921 MHKBUVOTPZGWBB-UHFFFAOYSA-N 406.563 6.396 0 40 HKAB CC[C@@H](C)c1ccc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)cc1 660130 ACHROWRSANBZPT-CYBMUJFWSA-N 407.564 6.373 0 40 HKAB Cc1cc(Br)cc2c(C(=O)NCc3ccco3)cc(-c3ccccc3)nc12 993248 QGNIOLHERYUJEL-UHFFFAOYSA-N 421.294 5.496 0 40 HKAB COc1ccc(-c2cc(-c3ccc4c(c3)OCO4)cc(-c3ccc(OC)cc3)n2)cc1 1441061 SZIQBZPPVUHOFY-UHFFFAOYSA-N 411.457 5.829 0 40 HKAB CC(C)C[C@H](C)COC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O 1703933 MDFAQXJJJLKKAC-ZETCQYMHSA-N 402.101 5.837 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 1866165 SNQNXLDDRRVJCV-UHFFFAOYSA-N 404.476 6.246 0 40 HKAB COc1ccccc1[C@@H](CCN[C@H](C)c1cccs1)c1ccc(OC(C)C)cc1 2256922 MOHXSJOGIDJNSF-KNQAVFIVSA-N 409.595 6.417 0 40 HKAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Oc2ccc3oc4ccccc4c3c2)c1C 2616317 NUZXFAGLHZSDDQ-HNNXBMFYSA-N 405.450 5.358 0 40 HKAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c5ccccc45)cc3n2)cc1 2737209 QHWLJXFXSVCSQX-UHFFFAOYSA-N 408.461 5.143 0 40 HKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(C)c4)c3N2)cc1 3012760 IIIPKBSBPPWTGY-RBUKOAKNSA-N 414.431 5.413 0 40 HKAB O=C(/C=C/c1ccco1)O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 3261329 BAQVXKLARCPWIC-IBDYFIJFSA-N 416.260 5.523 0 40 HKAB O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1cc(Cl)ccc1Cl 3316950 IDTGHZGBNFYRGI-UHFFFAOYSA-N 414.697 5.657 0 40 HKAB C[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)N(C)Cc1ccc(OC(F)F)cc1 3423700 NWJZLNRDVCXAIW-LLVKDONJSA-N 403.256 5.054 0 40 HKAB CCc1nnc(-n2nc(-c3ccccc3)cc2-c2ccccc2)n1-n1c(C)ccc1C 3672238 VFSDHYMZLPLVIA-UHFFFAOYSA-N 408.509 5.090 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1Oc1ccccc1 4033910 KXEJRCXMEFPWSF-UHFFFAOYSA-N 405.457 6.275 0 40 HKAB CC(C)(C)c1ccc(C(=O)C[C@@H](Sc2ccc(C(F)(F)F)cn2)C(=O)O)cc1 4054236 RVXPGJOMAFOWJB-MRXNPFEDSA-N 411.445 5.216 0 40 HKAB CCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 4700320 XQESZFVVDNKBBH-UHFFFAOYSA-N 405.369 5.254 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3cc2C)CC[C@H](C(C)(C)C)C4)cc1 4735778 QWMJTOQAXOXZRJ-KRWDZBQOSA-N 411.567 6.001 0 40 HKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2Cc2ccco2)cc1 4778872 AAZCQMKSHACZGA-HHHXNRCGSA-N 418.496 6.482 0 40 HKAB COc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccccc1C 4851713 XODLHTQUACNNTE-BKUYFWCQSA-N 417.436 5.066 0 40 HKAB Cc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2cc4c(cc23)OCCO4)cc1 4970062 DWMNCPKGNFGFIC-UHFFFAOYSA-N 411.436 5.459 0 40 HKAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(C(F)(F)F)cc2)CSC3)c1 5077605 OFVCAMYRYBHCCK-UHFFFAOYSA-N 403.429 5.199 0 40 HKAB C[C@H]1c2cc3c(cc2CCN1C(=O)c1ccc(Oc2ccccc2)cc1)OCCCO3 5422550 FHFMDCXQASHNSW-SFHVURJKSA-N 415.489 5.400 0 40 HKAB CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2OCC)cc1 5485396 SEKZDOVXDDHTAY-SFHVURJKSA-N 413.514 5.228 0 40 HKAB Cc1ccc(Cn2c([C@@H](C)NC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1 5545736 YHYMBZZYSUZGSV-QGZVFWFLSA-N 403.913 5.537 0 40 HKAB CC(C)(C)c1ccccc1NC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 5980896 KMLCCYJQXAIDKK-UHFFFAOYSA-N 414.505 5.152 0 40 HKAB CC(C)N(C(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C(C)(C)C)C2)C(C)C 6083292 OGLJHYPUJQBRSM-GOSISDBHSA-N 424.585 5.188 0 40 HKAB CC(C)c1ccc2occ(CC(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)c2c1 6810602 ZUUVNOQFDSNMIL-UHFFFAOYSA-N 421.924 6.574 0 40 HKAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 7653137 APIRBKFBKSKKMQ-NEPJUHHUSA-N 411.354 5.310 0 40 HKAB O=C(COc1ccccc1-c1ccccc1)N1CCC[C@@H]1c1nc2ccccc2s1 8405955 ZDRDYZBOWWTCDN-OAQYLSRUSA-N 414.530 5.706 0 40 HKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CN1c1ccccc1F 8753215 KDVXSDCBQIKYHH-QGZVFWFLSA-N 419.887 5.398 0 40 HKAB Cc1ccccc1NC(=O)CNc1cc(C(F)(F)F)ccc1OCC(F)(F)F 9883821 NSTXEKMGZGNDRE-UHFFFAOYSA-N 406.326 5.006 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)N1CC=C(c2c[nH]c3ccccc23)CC1 11071459 GSTQNOXHPACLKL-UHFFFAOYSA-N 401.293 5.169 0 40 HKAB C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 11667305 HRMAQPSWVZZNBB-KRWDZBQOSA-N 401.510 5.466 0 40 HKAB COc1cccc(NC(=O)[C@H](Nc2ccc(N3CCCCC3)cc2)c2ccccc2)c1 12567311 YETDZRNSLBENJQ-RUZDIDTESA-N 415.537 5.477 0 40 HKAB O=C1Nc2ccccc2/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 12628640 QKXUYJBSSMTSOO-MFOYZWKCSA-N 414.263 6.204 0 40 HKAB Cc1ccc(OCCn2c([C@H](C)c3ccc(CC(C)C)cc3)nc3ccccc32)cc1 13030911 VCKOHXSGTAVHOL-JOCHJYFZSA-N 412.577 6.774 0 40 HKAB CC[C@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 13522878 HCXVJBMSMIARIN-SRASCVNLSA-N 412.702 7.801 0 40 HKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cc(C)c1Cl 14400145 JPUFVWBYSOXCCT-KRWDZBQOSA-N 411.954 6.514 0 40 HKAB O=C1C[C@@H](c2ccccc2OCc2ccc(F)cc2)c2c(sc3c2CCCC3)N1 15084824 BLMQXWMABUMNLO-IBGZPJMESA-N 407.510 5.819 0 40 HKAB C[C@@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc(C(C)(C)C)cc1 20040207 JDPKMWCVLPPBLQ-CQSZACIVSA-N 410.410 6.402 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 21578648 ZETWCRGCWJMUCC-UHFFFAOYSA-N 415.537 5.784 0 40 HKAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1ccc(Cl)cc1F 24504854 ZYPHMMYZICNKHK-OAHLLOKOSA-N 410.876 5.565 0 40 HKAB Cc1cc(CN(C)C(=O)c2sc3cccc(F)c3c2COc2ccccc2)no1 25138239 XDYJCQCTSAFREW-UHFFFAOYSA-N 410.470 5.188 0 40 HKAB CCc1ccc(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(N3CCCC3)n2)cc1 27643182 UZVODBQBIDDROY-UHFFFAOYSA-N 412.900 5.314 0 40 HKAB COc1ccc(-c2cc(NC(=O)c3sc4ccccc4c3Cl)on2)cc1OC 27985737 LTIKSGNLRJPMCK-UHFFFAOYSA-N 414.870 5.479 0 40 HKAB COC(=O)CCC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]1CC[C@@]13C=C[C@@](C)(CC[C@H]21)C3 31165842 CNEWEMXPRRKCTL-UATDTJQXSA-N 402.575 5.452 0 40 HKAB biogenic,in-vitro COc1ccc([C@H]2CC(O)=Nc3sc(C(=O)Nc4ccccc4F)c(C)c32)cc1 32094318 YIVCXUBZXPKWBP-OAHLLOKOSA-N 410.470 5.580 0 40 HKAB CCOc1ccccc1-c1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)no1 35322651 QEFIUTOUYLZYAZ-UHFFFAOYSA-N 402.425 5.799 0 40 HKAB Cc1ccc(C)c(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4)c(=O)c32)c1 35400310 WYHDYZXROUULQJ-UHFFFAOYSA-N 411.480 5.204 0 40 HKAB Cc1cc(C)cc(Nc2c(-c3cc(Br)ccc3C)nc3cnccn23)c1 35622633 RXOOHMIDUULKDL-UHFFFAOYSA-N 407.315 5.828 0 40 HKAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(OC4CCCC4)c(Cl)c3)c12 36616557 PQGZHJMIDCSDGI-UHFFFAOYSA-N 424.932 5.381 0 40 HKAB CC(C)N(C(=O)Cn1c([C@@H](C)N2CCCCCC2)nc2ccccc21)c1ccccc1 39917353 UKFCLRJKLMJDJL-OAQYLSRUSA-N 418.585 5.415 0 40 HKAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)cc1C 40158549 XSCIFMNHKRKMBP-HXUWFJFHSA-N 400.522 6.078 0 40 HKAB Cn1c2c(sc1=O)[C@H](c1c(F)cccc1Cl)CC(=O)N2c1ccc(Cl)cc1 49544952 XSDAAQPANIHGOK-LBPRGKRZSA-N 423.296 5.093 0 40 HKAB CCc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 57486683 LFDIWJFNQWDFQP-UHFFFAOYSA-N 406.873 5.060 0 40 HKAB Cc1ccc(N[C@H]2C[C@@H](C)N(C(=O)c3ccc(Cl)cc3)c3cc(C)ccc32)cc1 59428163 CPLDFEAZZPSMOQ-JPYJTQIMSA-N 404.941 6.549 0 40 HKAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(OC(F)F)cc1 60037640 AMYBOFVACFXMGZ-CQSZACIVSA-N 401.482 5.659 0 40 HKAB O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cccn1Cc1cccs1 71819424 KUTPFHYYXUUKNG-UHFFFAOYSA-N 400.718 5.315 0 40 HKAB COc1cccc(Cc2cccc(C3CCN(C(=O)CCc4ccccc4)CC3)n2)c1 72349051 LGPLGJHIDFTNRY-UHFFFAOYSA-N 414.549 5.020 0 40 HKAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(Oc2cccc(F)c2)c2ccncc12 78743449 DBVDYQXHNCZLIV-UHFFFAOYSA-N 418.472 5.088 0 40 HKAB Cc1ccc(-c2nc(S(=O)(=O)Cc3ccccc3)c(-c3ccccc3)s2)cc1 94992802 VOHGOUDKDIANOH-UHFFFAOYSA-N 405.544 5.759 0 40 HKAB COc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)cc1 102664201 RPIXHMSOMGWMFB-YCRPNKLZSA-N 406.873 5.005 0 40 HKAB Cc1sc(NC(=O)c2cc(F)c(Cl)cc2Cl)c(C(N)=O)c1-c1ccccc1 105824402 HFBWFLYDKMJYJO-UHFFFAOYSA-N 423.296 5.521 0 40 HKAB C[C@@H]1CC[C@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118917510 XYNPYHXGMWJBLV-IKSKCRHHSA-N 415.662 5.367 0 40 HKAB in-man CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O 214150794 ZLGUFPDEIZGIIG-BXUJETTOSA-N 401.915 5.754 0 40 HKAB CCOC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1C 219770121 MVNYFQHBOLZTSS-UHFFFAOYSA-N 423.896 5.656 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)c1 223834813 JEYVSRRUTFFSJM-ZDUSSCGKSA-N 410.739 5.940 0 40 HKAB CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2ccccc2Cl)c1 224135427 KEWVKUSHKHXJLG-UHFFFAOYSA-N 411.885 5.579 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccc(C)c(C)c1 224289818 IYYHBLZDRNNOPG-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2C)cc1COc1ccc(Cl)c(C)c1 224541448 GBMFQVZYSPZFCX-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)NCCSCc2ccc(Cl)cc2)c1 225303507 MJDIBRWYMJBEJN-UHFFFAOYSA-N 423.003 5.045 0 40 HKAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1C 225332158 CNQREAICVNXZMS-LJQANCHMSA-N 416.521 5.066 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCCN3CCCCC3)cc2)CCCCCC1 225711500 NPABEWFLYIZURJ-UHFFFAOYSA-N 402.579 5.009 0 40 HKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cn1 225863905 QRQVROGNCSVMEX-UHFFFAOYSA-N 407.341 6.018 0 40 HKAB CCC[C@@H]1O[C@@H]2c3ccc(C(=O)O)cc3OC(C)(C)[C@H]2C[C@@H]1c1cccc(Cl)c1 257336718 YPSKIBDJNSPPQD-FCIYXJNOSA-N 414.929 6.239 0 40 HKAB CCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(CC)c1-c1ccccc1 408561902 LLZHVLGPNSVYCO-ATJXCDBQSA-N 405.350 5.847 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)c1 408694311 ITGRJTSOIVWLIQ-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc4ccccc34)nn2-c2ccccc2C)c1 408698406 NLEQFOMXRHJJKF-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB Cc1ccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)c(C)c1 408724506 LGWQRTXLGCYGDV-UHFFFAOYSA-N 417.512 6.562 0 40 HKAB O=C(NC1CCCCCC1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409174438 UBJZZVDRJMYYSK-GNANYNKOSA-N 414.593 6.436 0 40 HKAB O=[N+]([O-])/C=C/c1ccc(OCc2ccc(Br)cc2Br)cc1 409187196 NFKWTYDTNPDPCY-BQYQJAHWSA-N 413.065 5.038 0 40 HKAB O=C1S/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)N1Cc1ccc(Cl)cc1 409239243 OYVDOMPISNVKMJ-QGOAFFKASA-N 416.930 5.550 0 40 HKAB Cc1ccc(NC(=S)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCC2)c(C)c1 885074 BYYTUMCJMJOEGL-UHFFFAOYSA-N 419.594 5.595 0 40 HKAB CCOC(=O)c1c(C)oc2c1cc(OC(=O)c1ccc(Cl)cc1)c1ccccc12 952051 DGOOSOWPYZMXFG-UHFFFAOYSA-N 408.837 5.944 0 40 HKAB COc1ccc(-c2csc3ncnc(Oc4ccc5ccc(=O)oc5c4)c23)cc1 1006930 REWLEGIGQUDLGI-UHFFFAOYSA-N 402.431 5.266 0 40 HKAB Cc1ccc(C(=O)c2cc3c(cc2NC(=O)Nc2cccc(Cl)c2)OCCO3)cc1 1441482 VORGWAQMVBKWCB-UHFFFAOYSA-N 422.868 5.295 0 40 HKAB COc1c(Cl)cc(Cl)c(Cl)c1Cc1c(O)c(Cl)cc(Cl)c1Cl 1687352 LXTWGNTXYNZDNB-UHFFFAOYSA-N 420.934 6.912 0 40 HKAB CCN(CC)Cc1cc(O)ccc1NCCCNc1ccnc2cc(Cl)ccc12 1728955 AMYCEDJOERJLHV-UHFFFAOYSA-N 412.965 5.350 0 40 HKAB O=C1O[C@]2(C[C@@H](c3ccccc3)[C@@H]3CCCC[C@@]34Nc3ccccc3N42)c2ccccc21 1763440 JQKXIOGQANFJIF-TVCBXBRYSA-N 422.528 6.016 0 40 HKAB biogenic O=C(Nc1ccc(F)c(Cl)c1)c1sc(Nc2ccccc2)nc1-c1ccccc1 1801725 PVOOQPAUPRNYJR-UHFFFAOYSA-N 423.900 6.599 0 40 HKAB CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc(F)c(Cl)c3)c2c1 1892589 XOHDBWQMCPOFGL-HPNDGRJYSA-N 407.872 6.696 0 40 HKAB C1=C(c2ccccc2)N2c3ccccc3N[C@@]2(c2ccccc2)C[C@@H]1c1ccccc1 2050944 RAWZQSIBVZYFPL-GIGWZHCTSA-N 400.525 7.000 0 40 HKAB Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)cc1C 2079637 FSXHMIQAAKXQDJ-VWLOTQADSA-N 400.518 6.382 0 40 HKAB Clc1ccc(Oc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1 2267315 UBRLXDURRXKARL-UHFFFAOYSA-N 401.680 7.049 0 40 HKAB Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)Nc2ccc(Br)cc2)cc1 2306385 OHIWXCSDEIJWMU-JOCHJYFZSA-N 420.350 6.011 0 40 HKAB CCOc1cccc(=O)c2c(C)n(-c3nc(-c4ccc(OC)cc4)c(C)s3)c(C)c12 2448809 IKLWFALGFCOHHT-UHFFFAOYSA-N 420.534 5.447 0 40 HKAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccccc2C(F)(F)F)c1 2723085 RCBKTZRULIVUTB-UHFFFAOYSA-N 405.445 5.239 0 40 HKAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 3257078 PKVBYMSALFVEBC-UHFFFAOYSA-N 413.502 5.189 0 40 HKAB CCCc1ccc(-c2nn(-c3ccccc3)c3nc(-c4ccc(F)cc4)ccc23)cc1 3305559 MXXNIOWFAAURHZ-UHFFFAOYSA-N 407.492 6.846 0 40 HKAB Cc1cccc(Nc2nnc(S[C@H](C)C(=O)Nc3cccc(Cl)c3)s2)c1 3313847 CWSNDVLGEBDIER-GFCCVEGCSA-N 404.948 5.363 0 40 HKAB COc1ccc(NCc2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1 4677910 PCULWIHTIVRCQO-UHFFFAOYSA-N 403.909 6.693 0 40 HKAB CCCCCC(=O)NC(=S)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C 4723357 MIKOQDLRIARONV-UHFFFAOYSA-N 423.586 5.246 0 40 HKAB CCCCOc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1 5100541 LRSGKAARGDWTMN-UHFFFAOYSA-N 424.548 6.005 0 40 HKAB CCc1cccc2c(C(=O)O)cc(-c3ccc(-c4cc(Cl)cc(Cl)c4)o3)nc12 5237262 WSCQJVQWYHATKA-UHFFFAOYSA-N 412.272 6.729 0 40 HKAB Cc1ccc(Cn2c(CCNC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1 5545852 QVUPGDFUVURRCN-UHFFFAOYSA-N 403.913 5.019 0 40 HKAB CCc1cccc(C)c1NC(=O)COC(=O)c1ccccc1OCc1cccc(C)c1 5678992 CKCZPPMUTVFPIS-UHFFFAOYSA-N 417.505 5.240 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4[C@H](O)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 5758813 CZDKQKOAHAICSF-GFYXKKFXSA-N 402.663 6.360 0 40 HKAB biogenic,in-vitro Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)nc2c1 5815161 MLCDKVCIOMFJSK-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB COc1ccccc1NC(=O)OCc1cn(-c2ccccc2)nc1-c1cccs1 5938814 JFJGTNCGRWIMQD-UHFFFAOYSA-N 405.479 5.358 0 40 HKAB CCCCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCC)c1 6753001 UKTYIBRTKGNCCH-XMMPIXPASA-N 419.525 5.307 0 40 HKAB COc1cccc(CNCc2ccc(C)cc2)c1OCc1ccc(Cl)cc1Cl 7525194 AQEGKADEHCKGOH-UHFFFAOYSA-N 416.348 6.179 0 40 HKAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)c1 7882428 LHWYFHFVWKQJGX-KRWDZBQOSA-N 420.896 5.432 0 40 HKAB Cc1ccc(C)n1N(CC(=O)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 8475587 NJYXBDOWKZZKHA-UHFFFAOYSA-N 401.293 5.073 0 40 HKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc(Cl)c3Cl)sc2c1 8903140 QFRQPVFBNVJUTD-UHFFFAOYSA-N 423.321 5.812 0 40 HKAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccccc1C(F)(F)F 9391581 CDEHJRHBHMBMNU-UHFFFAOYSA-N 423.847 5.544 0 40 HKAB CCN(C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1 9507742 AHZMSGYTXAOKSY-UHFFFAOYSA-N 420.563 5.141 0 40 HKAB O=C(Nc1nc(CN2CCCC2)cs1)c1cc(-c2cccs2)nc2ccccc12 12764873 UOCVYLWCPDJOPF-UHFFFAOYSA-N 420.563 5.268 0 40 HKAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1ncc(-c2ccccc2)o1 12898867 DJASPFXFWQNIOB-UHFFFAOYSA-N 409.507 5.406 0 40 HKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1OC 12913342 VVWZOWPIGUWJIU-UHFFFAOYSA-N 402.903 5.513 0 40 HKAB Cc1cccc(C(=O)OC[C@@H](Cc2ccccc2)NC(=O)Nc2ccc(Cl)cc2)c1 12955402 OZRJYCRBPQEVBI-JOCHJYFZSA-N 422.912 5.238 0 40 HKAB COc1cc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cc(Cl)c1OC(C)C 13041995 QZFKMMBIJGLQPX-RUDMXATFSA-N 403.906 6.569 0 40 HKAB COc1ccc(-c2nnc(SCc3csc(C)n3)n2CCc2ccccc2)cc1 13164105 DGLKJNKTLHLAES-UHFFFAOYSA-N 422.579 5.254 0 40 HKAB Cc1nc(SCC(=O)c2ccc(O)cc2O)c2cc(-c3ccccc3)sc2n1 14129705 ONXMBCGEMPUMAW-UHFFFAOYSA-N 408.504 5.053 0 40 HKAB COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1NC(=O)c1cccs1 17089414 JVLKEERDOWVEOT-IZZDOVSWSA-N 412.898 5.314 0 40 HKAB CC(=O)N[C@H](c1nccs1)[C@H]1CCCN(Cc2ccc(-c3cccc(F)c3)cc2)C1 19020975 SSOHCRQAKSQKQF-GMAHTHKFSA-N 423.557 5.039 0 40 HKAB COc1ccc(SCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 20458732 BTLJPYZTVWKVDG-UHFFFAOYSA-N 407.579 5.894 0 40 HKAB Cc1ccc([C@H](NC(=O)c2ccccc2OCc2ccccc2)c2ccccc2)cc1 20461014 ZEJWTIZHOLCEGQ-HHHXNRCGSA-N 407.513 6.093 0 40 HKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20499993 NEQIHZHDTZAYMZ-HHHXNRCGSA-N 422.528 6.764 0 40 HKAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)COc1ccc(C2SCCS2)cc1 24454686 MDULZMGHMSUUHY-CQSZACIVSA-N 407.988 5.417 0 40 HKAB Cc1cc(-c2cc(C(=O)N[C@H](C)c3ccccn3)c3cnn(C(C)C)c3n2)c(C)s1 25161868 RSDCFEZMNOCWEU-OAHLLOKOSA-N 419.554 5.244 0 40 HKAB CCCCN1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CC1=O 27792475 AXCFVTGUOAFYFC-INIZCTEOSA-N 416.352 5.507 0 40 HKAB CCc1cc(-c2n[nH]cc2-c2csc(C)n2)c(O)cc1OCc1ccc(F)cc1 28462478 PPQWFAVWSCOAPA-UHFFFAOYSA-N 409.486 5.495 0 40 HKAB CCOc1ccc(-c2ccc(SCc3nc(-c4ccc(C)c(C)c4)no3)nn2)cc1 33022032 AVZPTDOBNQVIAV-UHFFFAOYSA-N 418.522 5.501 0 40 HKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)N[C@H](Nc1ccccn1)C(Cl)(Cl)Cl 35185516 PQOGPQCDZDICOM-NHIYQJMISA-N 422.784 5.377 0 40 HKAB CSc1ccc(Cl)c(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c1 36396453 CXBUXRKQMRZPEY-FQEVSTJZSA-N 405.947 5.350 0 40 HKAB CN(C)c1ccc(/C=C2\C[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc1 36621756 KHWMMNOVUASODC-CQZKABPHSA-N 419.609 5.639 0 40 HKAB Cc1ccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)c(Cl)c1 58008312 VWDOONINMFALLS-UHFFFAOYSA-N 409.898 5.729 0 40 HKAB Cc1ccc2c(c1)c1c(n2CCN(Cc2ccccc2)Cc2ccccc2)[C@H](O)CCC1 58980752 DHAVVSHZLVKYGS-MUUNZHRXSA-N 424.588 6.022 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)cc4F)nccn3n2)cc1C 67289830 WLBBCMOZEVEERI-UHFFFAOYSA-N 424.476 5.022 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(Cl)ccc2F)c(C)c1 67297324 QJICSKINPLWJSY-COOPMVRXSA-N 420.871 6.327 0 40 HKAB Cc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3cccc(C)c3)C2)cc1 89632074 IOCOFNSLPBJXJQ-XMMPIXPASA-N 404.535 5.152 0 40 HKAB O=C(Nc1nnc(Cc2cccc(Br)c2)s1)c1cccc2ccccc12 98086582 SJXJYQNEUYGPQN-UHFFFAOYSA-N 424.323 5.297 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2cccnc2)cc1 102722399 HAIJNCQEPHOXLB-UNMCSNQZSA-N 420.310 5.395 0 40 HKAB CC1(C)CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H](c3cccs3)C2=C(O)C1 104157347 YOTQXNHAUMKZAI-GOSISDBHSA-N 420.456 6.103 0 40 HKAB Cc1ccc(C(=O)C2CCN(C(=O)c3sc(-c4ccc(C)o4)nc3C)CC2)cc1 108579400 ACXCBRLCSZYAMI-UHFFFAOYSA-N 408.523 5.063 0 40 HKAB O=C(NCc1ccc([C@H](O)c2ccsc2)s1)NCc1cccc2ccccc12 207968330 GKDKVCCPBANIQU-OAQYLSRUSA-N 408.548 5.044 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCCN1CCCc2ccccc21 222942619 ALBKVGPHKOLBTK-XMMPIXPASA-N 408.586 5.101 0 40 HKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)c(C)c1 222979183 CQEOXIWYYVVEPE-DHIUTWEWSA-N 404.583 5.262 0 40 HKAB Cc1cc(OCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc(C)c1Cl 223495117 WMQQWOAVJBYNMC-UHFFFAOYSA-N 408.310 5.146 0 40 HKAB CCc1cccc(CC)c1NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C 223851408 QSKNRZWEXSMZLA-JWGURIENSA-N 402.494 5.122 0 40 HKAB Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1N(C)S(=O)(=O)c1ccccc1 224189120 JKJXLRKSODGTOF-UHFFFAOYSA-N 422.550 5.196 0 40 HKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1c(F)cccc1Cl 224851213 KUEIQKZAKACSKP-OAHLLOKOSA-N 421.965 5.175 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Cl)cc3)o2)cc1 224908392 FGWYLIYYAXBZBA-UHFFFAOYSA-N 404.853 5.923 0 40 HKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225097454 ZYTMIKLBIQPNPV-DEOSSOPVSA-N 408.586 5.076 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c1 225810778 OLMFYWYPNUOPMK-UHFFFAOYSA-N 414.546 5.109 0 40 HKAB Cc1ccc(C2(NC(=S)Nc3ccc(C)c(N4CCCC4=O)c3)CCCC2)cc1 225869962 JDQTVLOGTZFBJF-UHFFFAOYSA-N 407.583 5.186 0 40 HKAB Cc1cc(Oc2ccccc2)nc(NC(=S)NCC2(c3ccccc3)CCCC2)n1 225972278 XLUKRMOKOKFEJK-UHFFFAOYSA-N 418.566 5.376 0 40 HKAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)C(C)C)CC1 257221583 DPSOHPANEDXXBW-QAQDUYKDSA-N 400.588 5.086 0 40 HKAB COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c(C)c1 408801829 CDILKEJTTJTOPI-BQCZXRGHSA-N 421.586 6.058 0 40 HKAB CCCc1sc(NC(=O)c2ccccc2Cl)nc1-c1cc(OC)ccc1OC 408824599 IJQVMLXQQZKGCQ-UHFFFAOYSA-N 416.930 5.686 0 40 HKAB O=C(CCSc1ccc(Cl)cc1)NCCSCc1c(F)cccc1Cl 409024682 NGFYZQMOJFUZRQ-UHFFFAOYSA-N 418.386 5.664 0 40 HKAB CCOc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 409100817 VFOZKXSLEIHTLR-UHFFFAOYSA-N 421.953 6.279 0 40 HKAB O=C(c1ccccc1-c1ccccc1)N1CCC2(CC1)CO[C@@H](Cc1ccccn1)C2 2037797794 LWLZZGIXTWOBBU-QHCPKHFHSA-N 412.533 5.003 0 40 HKAB CCn1cc([C@@H](C)NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)o2)c(C)n1 655205 FABBVKOULJTHFS-GFCCVEGCSA-N 422.312 5.181 0 40 HKAB Cn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccccc1Cl 681338 MWNDQVNWXDLVJQ-UHFFFAOYSA-N 408.914 5.020 0 40 HKAB O=C1c2ccc(N3Cc4ccccc4C3)cc2C(=O)N1c1ccc(Cl)c(Cl)c1 705985 WFUSXIRXXXPWNX-UHFFFAOYSA-N 409.272 5.314 0 40 HKAB O=C(c1ccccc1)n1ccc(-c2ccc(OCc3c(F)cccc3Cl)cc2)n1 1383661 VZXQIXHVLXYVHC-UHFFFAOYSA-N 406.844 5.610 0 40 HKAB CCCCCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 1762691 JALZVBLKSABKCY-UHFFFAOYSA-N 415.628 6.497 0 40 HKAB CCCCCC(=O)NC(=S)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1C 2052128 SVKCTFDGOKXBLD-UHFFFAOYSA-N 415.946 5.850 0 40 HKAB CC(C)(C)c1ccc(C(=O)Oc2ccc(Br)cc2Br)cc1 2061795 LHNSXSUFPJRLBQ-UHFFFAOYSA-N 412.121 5.728 0 40 HKAB CCCCc1nc2sc3c(N(CCCC)CCCC)ncnc3c2c2c1CCCC2 2266312 AEDMNIICNFEKLE-UHFFFAOYSA-N 424.658 6.868 0 40 HKAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3cccc(Cl)c3Cl)NC(=O)CCN21 2330905 MXNXODFIRNZDGU-CRWWQRIJSA-N 401.337 5.329 0 40 HKAB O=c1c(-c2ccc(Br)cc2)coc2cc(OCc3ccccc3)ccc12 2667499 QPGRECVMSKHGOV-UHFFFAOYSA-N 407.263 5.802 0 40 HKAB biogenic CC(C)(C)c1ccc(C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 2669394 FTMINEYKHLRTMV-UHFFFAOYSA-N 419.377 6.591 0 40 HKAB COc1ccc(CNc2nc3c(-c4ccc(Cl)cc4)nnn3c3ccccc23)cc1 2688964 DHNFWWSGCXRPFI-UHFFFAOYSA-N 415.884 5.219 0 40 HKAB C[C@@H]1CN=C(N(C(=O)Nc2cccc(C(F)(F)F)c2)c2cccc(Cl)c2)S1 3029172 WXBQCEFUMPLDQO-LLVKDONJSA-N 413.852 5.889 0 40 HKAB Cc1cccc(OP(=O)(Nc2ccc(OC(C)C)cc2)Oc2cccc(C)c2)c1 3177064 DCBFTCNNUGRIQR-UHFFFAOYSA-N 411.438 6.769 0 40 HKAB O=C(COC(=O)/C=C/c1ccccc1Cl)Nc1ccccc1Sc1ccccc1 3264195 MYPGPIGQBPEYGV-CCEZHUSRSA-N 423.921 5.686 0 40 HKAB CCOCc1c(C(=O)OCc2csc(-c3ccc(C)cc3)n2)oc2ccccc12 3431263 LMLFAZPVPPUTMO-UHFFFAOYSA-N 407.491 5.758 0 40 HKAB Cc1cccc(NC(=O)c2ccccc2NC(=O)c2c(-c3ccccc3)noc2C)c1 3455493 IPPVEHOLNOSRBW-UHFFFAOYSA-N 411.461 5.463 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1OCC 4249083 QJKWFPINBOZUKT-UHFFFAOYSA-N 407.495 5.113 0 40 HKAB O=C(Nc1ccc(Br)cc1)[C@H]1CC2c3ccccc3C1c1ccccc12 4413890 QRMQYLOHKIPJKE-ORFBVSJDSA-N 404.307 5.685 0 40 HKAB O=C1c2[nH]c3ccccc3c2[C@H](c2cccc(Cl)c2)OCCN1Cc1ccccc1 4722770 NPUQLCSTLNVIBD-DEOSSOPVSA-N 416.908 5.583 0 40 HKAB CCCCCC[C@@H](C)NC(=O)CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 4742920 RJDOYMNHOACIKQ-CJAUYULYSA-N 417.553 5.188 0 40 HKAB CC[C@H](C)c1ccccc1NC(=O)CSc1nnc2cc(C)c3ccccc3n12 4843539 IXIWZPQZBFTKJI-HNNXBMFYSA-N 404.539 5.435 0 40 HKAB C[C@@H](Sc1nc(O)c2ccccc2n1)C(=O)N(c1ccccc1)c1ccccc1 4999442 UVUMOKBXLPNOOR-MRXNPFEDSA-N 401.491 5.181 0 40 HKAB Cc1csc2nc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)cn12 5083784 WHEYYZYMRCFJPW-UHFFFAOYSA-N 412.312 5.386 0 40 HKAB Cc1ccc(-c2nnc(S[C@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)o2)cc1C 5312682 LHUZOPJBBDYUJF-CYBMUJFWSA-N 412.540 5.122 0 40 HKAB Cc1nc(C[S@](=O)c2ccc(Cl)cc2)cc(Sc2ccc(Cl)cc2)n1 5423537 LPMAVAQLWAYMQP-RUZDIDTESA-N 409.363 5.551 0 40 HKAB CCCCC(=O)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 6273184 DRACJZDBGSTMJE-UHFFFAOYSA-N 414.914 5.117 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccccc3)oc3c(C)cccc3c2=O)cc1OC 6768013 MYPJCUNJKJXWHR-UHFFFAOYSA-N 415.445 5.038 0 40 HKAB CC(C)c1ccc(Nc2nnc(S[C@@H](C)C(=O)NCc3ccccc3)s2)cc1 6787160 DGUSJJQTLNFQKV-HNNXBMFYSA-N 412.584 5.202 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CC(c1ccccc1)c1ccccc1 7706102 GAZNXTFSLBGLKT-SFHVURJKSA-N 400.547 6.038 0 40 HKAB Cc1ccc(CN2C(=O)N/C(=C\c3ccc(Sc4ccc(C)cc4)cc3)C2=O)cc1 8372385 KAHGDWBKFBQUBW-HAHDFKILSA-N 414.530 5.548 0 40 HKAB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccc2ccccc2c1 8742117 YZHCJDZQUDTREV-UHFFFAOYSA-N 419.596 7.255 0 40 HKAB CC(C)Cn1nc(NC(=O)c2ccccc2Br)c2cc3ccccc3nc21 8767620 ZZRBRWMBCXGHGY-UHFFFAOYSA-N 423.314 5.255 0 40 HKAB COc1ccc(-c2c[nH]nc2-c2ccc(OCc3c(F)cccc3Cl)cc2O)cc1 9130717 BVGRMCVEYPAHNQ-UHFFFAOYSA-N 424.859 5.829 0 40 HKAB CCCOc1ccc2nc(NC(=O)Cc3csc(-c4ccccc4)n3)sc2c1 9250310 UURMYBDMAIBKFV-UHFFFAOYSA-N 409.536 5.390 0 40 HKAB CC(C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)C1=O 9296411 BKSLGENFZIDAIK-NVNXTCNLSA-N 415.820 6.064 0 40 HKAB Nc1c(C(=O)Nc2ccccc2)sc2nc3c(c(-c4ccccc4Cl)c12)CCC3 9375456 LAJOQLYDDVMPQL-UHFFFAOYSA-N 419.937 5.940 0 40 HKAB CCN(CC)CCCn1cnc2oc(-c3ccccc3)c(-c3ccccc3)c2c1=N 9482913 IEBBXPCLMUSCTK-UHFFFAOYSA-N 400.526 5.175 0 40 HKAB CN1C(=O)c2cc(NC(=O)c3ccc(Br)cc3)ccc2Oc2ccccc21 9827809 KMJRCPMXICEWGD-UHFFFAOYSA-N 423.266 5.084 0 40 HKAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1cc2ccccc2c(=O)s1 12274414 KIJXGOLMPRXXIB-UHFFFAOYSA-N 412.923 5.215 0 40 HKAB O=c1[nH]c(CSc2ncccc2Cl)nc2scc(-c3ccc(F)cc3)c12 12553051 AIBDGACSGMVDRG-UHFFFAOYSA-N 403.891 5.131 0 40 HKAB COc1cccc(NC(=O)[C@@H](Oc2ccc3ccc(OC)cc3c2)c2ccccc2)c1 12682367 JJININUJMCOMIK-VWLOTQADSA-N 413.473 5.616 0 40 HKAB O=C(/C=C/c1cccnc1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 12737834 BXRVPEGAQDUKJF-MDZDMXLPSA-N 411.383 5.005 0 40 HKAB CC(C)CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 12785082 PQQNZGCGIVEBRD-UHFFFAOYSA-N 415.342 5.169 0 40 HKAB Cc1cccc(-n2c(SCc3c(F)cccc3Cl)nc3ccccc3c2=O)c1C 13098634 HMYZGOLIHQFIGE-UHFFFAOYSA-N 424.928 6.087 0 40 HKAB C/C=C(\C)[C@H](O)[C@@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1oc(OC)c(C)c(=O)c1C 13307921 PFVSUJLJFXJPMF-SDTDDJCHSA-N 400.559 5.610 0 40 HKAB biogenic,in-vitro CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC(=O)[C@@]4(O)CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 13409036 GVAODFIKHWYQPE-JHGVQUDRSA-N 416.646 5.971 0 40 HKAB SC1=NC2=C(CCC/C2=C\c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1 13686758 KVSPYRASURNEPV-QZEGLACASA-N 401.362 6.445 0 40 HKAB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)C1(c2ccc(Cl)cc2)CCCC1 13954864 JDJKAHJLOYGRBM-UHFFFAOYSA-N 417.896 5.994 0 40 HKAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 14707338 ANDOOWRMDJDZSN-QGZVFWFLSA-N 405.548 5.706 0 40 HKAB COc1cc(Cl)c(C)cc1NC(=O)CN[C@H](c1ccc(F)cc1)c1cccs1 15358758 WJXNMEKKVWOKML-OAQYLSRUSA-N 418.921 5.175 0 40 HKAB Cc1nc2cc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccs3)ccc2o1 15541582 AFFFWPSPWIXKJY-UHFFFAOYSA-N 400.463 5.303 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1C 17093383 SIJUVVVDDDLFGE-UHFFFAOYSA-N 422.937 6.251 0 40 HKAB CCOC(=O)c1cc(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)ccc1Cl 30755777 AMDHZDRUTIEQMP-MRXNPFEDSA-N 414.933 5.001 0 40 HKAB Cc1cccc(O[C@@H](C)C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1C 30757176 HBFPXBXCMDNCEN-IBGZPJMESA-N 407.485 5.105 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)Nc3ccccc3C(F)(F)F)n2)c1 36709348 HPPDSPNGGCYNAZ-UHFFFAOYSA-N 423.416 5.490 0 40 HKAB C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)c1ccc(F)cc1 44934033 AREAQPWKKBKVBK-PBHICJAKSA-N 409.332 5.222 0 40 HKAB O=C(c1cc(Cl)sc1Cl)N1CCC(Oc2nc3ccccc3s2)CC1 49431160 QYRLWGPICDTYTG-UHFFFAOYSA-N 413.351 5.348 0 40 HKAB CC(C)N1COc2ccc3c(=O)c(-c4ccc(F)cc4)c(C(F)(F)F)oc3c2C1 54313658 QGUZIBPXYILQDT-UHFFFAOYSA-N 407.363 5.178 0 40 HKAB CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N(C)Cc1ccc(Cl)s1 57380617 WLWSBLNPRXTDIG-NRFANRHFSA-N 414.958 5.612 0 40 HKAB CCOc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1 59056032 KSODVDSYDDDEOD-UHFFFAOYSA-N 402.321 6.583 0 40 HKAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cc(Cl)ccc3F)oc12 67293662 KIBDBENBYOJBJE-ROMGYVFFSA-N 423.831 5.114 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)ccc1Cl 72230053 XOTHNGSWTGSCNK-JOCHJYFZSA-N 416.304 5.401 0 40 HKAB O=C(c1ccccc1)C1CCN(C(=O)Nc2cccc(C3SCCS3)c2)CC1 84517779 JJIXWCJHKWHBRC-UHFFFAOYSA-N 412.580 5.292 0 40 HKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccccc4C(=O)O)o3)C2=O)cc1 106702631 UQLYPBVYGNCXQL-NDENLUEZSA-N 419.458 5.190 0 40 HKAB CC(C)c1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(Br)c1 111894417 MIDKCTQSCPKOGB-UHFFFAOYSA-N 400.675 5.383 0 40 HKAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1ccccc1Sc1ccccc1 222585169 AULNMRPBZZYKFE-UHFFFAOYSA-N 415.493 5.995 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2 223128093 NLYFBLPENSSEDI-JWQCQUIFSA-N 407.598 6.288 0 40 HKAB Cc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224201245 OTQNTDXQIOKUPW-QFIPXVFZSA-N 422.613 5.241 0 40 HKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)c1 224549755 IFPLEDXPMWFTDT-PKTZIBPZSA-N 418.566 5.184 0 40 HKAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1Cl 225546853 DZPURXWFTDZERS-INIZCTEOSA-N 419.924 5.733 0 40 HKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(OC2CCCC2)cc1 225679860 YOECUKURSNLLKJ-NRFANRHFSA-N 410.583 5.905 0 40 HKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)/C=C\c5ccccc5)CC[C@@]43C)[C@@H]1CCC2=O 253505210 BHWKXKHBCVBVDP-UKAVIDPUSA-N 418.577 6.144 0 40 HKAB CC(C)n1c(CN2CCC(c3ccc(Cc4ccccc4)cn3)CC2)nc2ccccc21 257254248 KCIBKLMQOOSGPB-UHFFFAOYSA-N 424.592 5.983 0 40 HKAB Cc1ccc(COc2ccccc2[C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 408558021 ROAHCTXRFIQEIH-QHCPKHFHSA-N 409.938 6.006 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2ccc(F)c(Cl)c2)o1 408623248 RWFLGAOBIZQOQK-UHFFFAOYSA-N 407.828 6.784 0 40 HKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccccc2)c1 408698091 NOAPFFSQGJVOSI-UHFFFAOYSA-N 418.500 5.957 0 40 HKAB CCOc1ccccc1/C=C1\S[C](Nc2ccccc2)N([C@H]2CCCC[C@H]2C)C1=O 408800205 NRXTYYAVCSNIPX-WXIYXWPHSA-N 421.586 6.139 0 40 HKAB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(C(=O)O)cc2)C1=O 408815485 QJWAWRXRHIFSLM-CABAHIPWSA-N 421.542 5.439 0 40 HKAB COc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 409116080 LNVQACDUWNLKKN-UHFFFAOYSA-N 416.348 6.810 0 40 HKAB CCCN1C(=O)S/C(=C\c2cn(CCCOc3ccccc3)c3ccccc23)C1=O 409135024 PHKYQYQDTLXXSH-JWGURIENSA-N 420.534 5.557 0 40 HKAB O=C(c1cccs1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2)cs1 932795 KNQCMOIJRNFTEK-HNNXBMFYSA-N 404.944 5.351 0 40 HKAB COc1ccc2c(C)cc(SCC(=O)c3ccc(Oc4ccccc4)cc3)nc2c1 1105099 KZXMFAPMVWEPDH-UHFFFAOYSA-N 415.514 6.319 0 40 HKAB CCOc1cc(NC(=O)C2CCCCC2)c(OCC)cc1NC(=O)c1ccc(C)cc1 1223657 QGUVZDCVKVQYGP-UHFFFAOYSA-N 424.541 5.564 0 40 HKAB Cc1ccc(C)c(CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC4CCCCC4)cc32)c1 1342343 KLUVESWYJDMMOD-UHFFFAOYSA-N 420.553 5.070 0 40 HKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc(-c2ccccc2)nc1-c1ccccc1 1401661 FYIFJDMANNXPBX-UHFFFAOYSA-N 419.406 6.082 0 40 HKAB Cc1cccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc5ccccc5c4)coc3c2)c1 1772395 SGBLBZVIYQENJX-UHFFFAOYSA-N 422.436 6.266 0 40 HKAB Cc1cc2nnc(Sc3ncnc4sc5c(c34)CC[C@H](C)C5)n2c2ccccc12 1895234 VFSVYVZXRAMXFK-LBPRGKRZSA-N 417.563 5.472 0 40 HKAB O=C(Nc1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1)c1ccc(Cl)cc1 2030305 DMPJALIYFLMTID-UHFFFAOYSA-N 402.906 6.287 0 40 HKAB Cc1ccccc1[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 2389066 WLJJHZZZEHMKOE-HSZRJFAPSA-N 401.462 5.050 0 40 HKAB in-vitro CCOP(=O)(OCC)c1nc2ccc(C)cc2c(Nc2ccc(C)cc2)c1Cl 2701441 QUVSLCIERLMJPW-UHFFFAOYSA-N 418.861 6.140 0 40 HKAB Cc1nn(Cc2cccc(-c3nc4c5c(C)c(C)sc5ncn4n3)c2)c(C)c1Cl 2731600 ZAAXCTVESMUOCR-UHFFFAOYSA-N 422.945 5.138 0 40 HKAB Cc1ccccc1NCC(=O)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1 2887660 IXKWBBJMRASZAG-UHFFFAOYSA-N 406.338 5.400 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OC)c2OC)N3)C1 4554607 OCGIEMJCBZQPOQ-XCLFUZPHSA-N 414.571 5.735 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)CCC(=O)CC[C@]12C 5029453 FREFZRPOTWOACU-ZOSXVRQNSA-N 400.691 8.067 0 40 HKAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(C(F)(F)F)cc2)CSC3)c(C)c1 5077821 AWIYLBAYHMAHAL-UHFFFAOYSA-N 417.456 5.507 0 40 HKAB COc1ccccc1C(=O)Nc1sc2ccccc2c(=O)c1-c1ccc(C)cc1 5268787 VHDDPJZMUWEMLW-UHFFFAOYSA-N 401.487 5.498 0 40 HKAB COc1ccccc1-c1cncnc1-c1ccc(OCc2ccc(F)cc2)cc1O 5562541 ROTBGKWIUKPFSZ-UHFFFAOYSA-N 402.425 5.243 0 40 HKAB Clc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCCO4)=NN21 5603178 QPYBCKWPRLKFDV-RDPSFJRHSA-N 418.880 5.354 0 40 HKAB O=C1C[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)c2cccc3cccc1c23 5783281 XPNKVJNHYNUJTN-DEOSSOPVSA-N 400.481 6.411 0 40 HKAB COc1ccc2nc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)sc2c1 6181993 HMLIRRFWNWWENS-UHFFFAOYSA-N 412.474 5.167 0 40 HKAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(Br)cc1 6420787 CAUXDRAKRYYJMJ-UHFFFAOYSA-N 406.283 5.553 0 40 HKAB Cc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1Cl 6478106 JGUCYOCTNZEWTQ-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB CCOC(=O)C1=C(C)NC(SCc2ccccc2Cl)=N[C@@H]1c1ccccc1 6594678 FJAYLLLHQPGEPF-LJQANCHMSA-N 400.931 5.111 0 40 HKAB Cc1ccc(C)c(NC(=O)CN(C)c2ncnc3cc(-c4ccc(F)cc4)sc23)c1 7974732 UZUPTEHTPCRRGV-UHFFFAOYSA-N 420.513 5.189 0 40 HKAB Cc1onc(-c2ccccc2)c1C(=O)N(C1=N[C@H](C)CS1)c1ccc(Cl)cc1 7983824 GKELNWVZTJUVJN-CYBMUJFWSA-N 411.914 5.442 0 40 HKAB CCCOc1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1 9170033 ROETWUCKOZHBIY-UHFFFAOYSA-N 423.325 5.945 0 40 HKAB CCCCn1nc(NC(=O)c2ccccc2OCC)c2cc3ccc(C)cc3nc21 9411352 GNKVWEQRVIJVFD-UHFFFAOYSA-N 402.498 5.344 0 40 HKAB CCCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1Cc1ccc(F)cc1 9421759 BIGVCLTXPNTTLU-UHFFFAOYSA-N 404.489 5.574 0 40 HKAB Fc1ccccc1-c1nc(-c2ccc3sc4ccccc4c3c2)c(-c2ccccc2)[nH]1 9434180 ACWCEEFSDUWCRS-UHFFFAOYSA-N 420.512 7.918 0 40 HKAB O=C(Cc1csc(-c2ccc(F)cc2)n1)N[C@@H](c1ccc(Cl)cc1)C1CC1 9861694 XLKAZSGNEIUGSI-HXUWFJFHSA-N 400.906 5.413 0 40 HKAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cccc(COc2ccccc2)c1 9892042 PZQVPZYLFWDGRK-UHFFFAOYSA-N 420.468 6.326 0 40 HKAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2cccc(Cl)c2)c1 11088919 DVWXHGIIIICBTK-KRWDZBQOSA-N 406.913 5.702 0 40 HKAB Clc1ccc(-c2nnc3sc(C(c4ccccc4)c4ccccc4)nn23)cc1 12653866 CZKBIFKLPFYWBQ-UHFFFAOYSA-N 402.910 5.686 0 40 HKAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N1CCCc2ccccc21 12812886 PCVOBNAQNNYLDD-ZDUSSCGKSA-N 417.456 5.109 0 40 HKAB C[C@H](NCc1ccccc1CN1CCCC1)C(=O)Nc1ccccc1-c1ccccc1 12903605 UAXHOTQDRMRMQZ-NRFANRHFSA-N 413.565 5.066 0 40 HKAB Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@H](c1ccccn1)O2 13036341 PFDRBBULTUZYRC-APWZRJJASA-N 412.312 5.148 0 40 HKAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(F)cc1Cl 13112192 NHBGFHPBCTYHJD-JTQLQIEISA-N 422.938 5.253 0 40 HKAB CCOc1ccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 13284033 FCOOVFRDZWLYAP-UHFFFAOYSA-N 422.337 5.309 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1nn(Cc2ccccc2)c(=O)c2ccccc12 14495798 AEYVCFYZGJRTDQ-UHFFFAOYSA-N 424.287 5.004 0 40 HKAB O=C(Cc1csc(-c2ccccn2)n1)N1CCc2sccc2[C@H]1c1cccs1 14704179 RFGZPAFRLXZZAQ-FQEVSTJZSA-N 423.588 5.045 0 40 HKAB OCCn1c(-c2ccc3ccccc3c2)cs/c1=N\c1cccc(C(F)(F)F)c1 15188477 YUQDVAYHBPKBOX-QLYXXIJNSA-N 414.452 5.613 0 40 HKAB COc1ccc(-c2cc(NC(=O)c3c(C)noc3C(C)C)ccc2OC(F)F)cc1 15599928 JFKCXBUIQLSJQK-UHFFFAOYSA-N 416.424 5.636 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)cc1 15830760 VGHHYTOOMXGPPY-UHFFFAOYSA-N 401.491 5.590 0 40 HKAB COc1c(C)cccc1C(=O)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1C 16362386 KGIXINPWNVVBHC-UHFFFAOYSA-N 400.478 5.989 0 40 HKAB COc1ccc(Cl)cc1C(=O)Nc1sc2c(c1C(C)=O)CC[C@H](C(C)(C)C)C2 17092058 SKMFFYRYIZUULV-ZDUSSCGKSA-N 419.974 6.016 0 40 HKAB COc1ccc(OC)c2c1[C@H](c1cccc(NC(=O)C3CC3)c1)O[C@H]1CCCC[C@H]21 17724530 CUDMNXSXYJGJGV-JXQFQVJHSA-N 407.510 5.198 0 40 HKAB O=C(c1cccc2cccnc12)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 19347272 SJZIHSRHXUJLAS-UHFFFAOYSA-N 424.426 5.150 0 40 HKAB COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ncc(Cc3ccccc3)s1)=C2 21797847 LEYSYPGGJGKLTM-UHFFFAOYSA-N 424.909 5.324 0 40 HKAB O=C(c1ccccc1SCc1ccsc1)N1CCN(Cc2cccs2)CC1 21929813 RRLMEXMVWJNXQH-UHFFFAOYSA-N 414.621 5.060 0 40 HKAB CCOc1ccccc1NC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 22504896 JMIFHGHEZQEAPR-UHFFFAOYSA-N 415.493 5.322 0 40 HKAB O=C(Nc1ccccc1Cl)OCc1cn(-c2ccccc2)nc1-c1cccs1 27642622 BZWJHGUXIVTYLY-UHFFFAOYSA-N 409.898 6.003 0 40 HKAB Cc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccccc3Cl)n2)cc1 32578821 BOZQATLRNAJMJV-UHFFFAOYSA-N 419.868 5.530 0 40 HKAB Cc1cccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)c1C 32954377 AYYMOQJTYYXQRI-UHFFFAOYSA-N 407.326 5.126 0 40 HKAB O=C1N=C(O)/C(=C/c2cccc3ccccc23)C(=O)N1c1ccc(Cl)c(Cl)c1 33579111 ZSEWHPJWHBLJOP-YBEGLDIGSA-N 411.244 5.653 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc5nsnc5c4)ccc3o2)cc1Cl 59294115 MDTUTRRFODCKBP-UHFFFAOYSA-N 420.881 5.714 0 40 HKAB O=C(O)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1 65739209 FSHGEKXJPYDBSO-UHFFFAOYSA-N 406.913 5.027 0 40 HKAB in-vitro COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cccc(Cl)c3C)oc12 67293617 YPEKNDYQTHQGDB-RWEWTDSWSA-N 419.868 5.283 0 40 HKAB C[C@H]1CC[C@H]2C(=O)N(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 100580439 GHQBARKLLMRQPO-MJXNMMHHSA-N 414.299 5.167 0 40 HKAB CC1(C)C[C@H]2C[C@@](C)(CN2P2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)C1 102134393 CBRYZOYFIVJQGZ-BKMJKUGQSA-N 419.505 7.193 0 40 HKAB COc1ccc(NCc2c(OCc3cccc(Cl)c3)ccc3ccccc23)cc1 107029284 VUHPRDQOLVYNGW-UHFFFAOYSA-N 403.909 6.693 0 40 HKAB COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2cccc(C)c2)C1=O 214622536 AVIOBYWZEPJPSN-LICLKQGHSA-N 418.312 5.003 0 40 HKAB O=C1S/C(=C/c2cccc(Cl)c2)C(=O)N1Cc1ccccc1Br 215064500 SBQYQNKTVUTINC-OQLLNIDSSA-N 408.704 5.339 0 40 HKAB O=C(CCCN1C(=O)c2cccc3cccc1c23)N1CCC(Cc2ccccc2)CC1 219458096 BVJUJTADZIHIBD-UHFFFAOYSA-N 412.533 5.062 0 40 HKAB O=C(NCc1ccc(Cl)cc1Cl)c1cc(Cl)ccc1OCc1ccccc1 219762233 ZJUXJRKUCUGFFB-UHFFFAOYSA-N 420.723 6.156 0 40 HKAB Brc1ccc(CCCCCCCc2ccc(Br)cc2)cc1 222267741 HVLNMJJDFRDFTN-UHFFFAOYSA-N 410.193 6.947 0 40 HKAB COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)cc1C(C)C 223353540 ROYCTNYNVMBACL-KRWDZBQOSA-N 419.587 5.299 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1Cc1ccco1 223354371 BRIHJFMXGCPTAB-FGZHOGPDSA-N 406.555 5.154 0 40 HKAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1C 224182408 PPEAGWISGAOKQY-HXUWFJFHSA-N 400.522 5.366 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1COCC(C)C 224454934 SYYNWHVGIJJEBR-UHFFFAOYSA-N 415.839 5.792 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccc(Cl)c(C)c1 224541748 JFUMYEDILSPQAS-UHFFFAOYSA-N 423.940 6.495 0 40 HKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1CSc1ccc(C)cc1 224665106 FVPBOPJOTZDNDJ-UHFFFAOYSA-N 419.546 6.141 0 40 HKAB Cc1cccc([C@@H](NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)c2ccccc2)c1 225873361 PEWUSLZSOPRFJZ-RLWLMLJZSA-N 401.550 6.100 0 40 HKAB Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(-c3cc(Cl)ccc3Cl)oc12 226271411 WEHVLGDFEXKJAL-UHFFFAOYSA-N 403.187 5.635 0 40 HKAB Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)o1 260762887 HUQHWZWJNQMHKX-OBVPDXSSSA-N 409.942 5.893 0 40 HKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc3ccccc3c2)S1 260772168 MNZMNIMDYLRJHC-UOKFIYJESA-N 410.546 5.615 0 40 HKAB Cc1ccc(COc2ccccc2[C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 408558020 ROAHCTXRFIQEIH-HSZRJFAPSA-N 409.938 6.006 0 40 HKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccccc2)cc1 408694269 IDOJASJUNPOSCV-UHFFFAOYSA-N 418.884 5.239 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3C)n2)cc1 408696804 BZXDJIUUAPOSLK-UHFFFAOYSA-N 416.912 5.711 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(CSc2ccc(Cl)cc2)cc1 408775784 JSRIAABOSFOJNV-UHFFFAOYSA-N 421.871 6.903 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCc2ccccc2Cl)o1 409013489 KMYBWRDIKQBWLT-SNVBAGLBSA-N 415.729 6.462 0 40 HKAB CCOC(=O)Cc1c(C)nc2c(-c3ccc(Cl)cc3)c(-c3ccccc3)nn2c1C 409074677 WREQNTGFTJZLFQ-UHFFFAOYSA-N 419.912 5.439 0 40 HKAB CCCOc1c(Br)cc(CNc2ccc(OCC)cc2)cc1OCC 409116132 LTKBAGCHSSESOK-UHFFFAOYSA-N 408.336 5.647 0 40 HKAB O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1ccc2ccccc2c1 409369602 QTTVQCOPFOBSBI-UHFFFAOYSA-N 410.498 5.726 0 40 HKAB Cc1ccc2c(c1C)OC(C)(C)[C@H]1C[C@@H](C(=O)O)[C@H](CCc3cccc(F)c3)O[C@H]21 585265039 SEXWGZIYIQOMHC-BESBDSHLSA-N 412.501 5.393 0 40 HKAB COc1cccc(-c2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)c1 917118 UXALMXXWOKAGAK-UHFFFAOYSA-N 417.490 5.202 0 40 HKAB COC(=O)c1c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)sc2c1CCC2 996308 AEOJZOMPGURRKL-UHFFFAOYSA-N 418.474 5.084 0 40 HKAB Cc1ccc(-n2cc(C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)nn2)cc1Cl 1392898 HBABBROXVJCPRB-NSHDSACASA-N 410.688 5.186 0 40 HKAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CC[C@H](C)C2 1807795 ZVPXIXGMIRMTDI-HJTPGIPUSA-N 403.931 5.355 0 40 HKAB Cc1nn2c(N3CCN(c4ccccc4)CC3)cc(C(C)C)nc2c1-c1ccccc1 2334284 ZVUVTRFQOXPVKG-UHFFFAOYSA-N 411.553 5.155 0 40 HKAB COc1ccc(-c2ccc(-c3noc(-c4ccc(C(C)(C)C)cc4)n3)c(OC)n2)cc1 2416535 NBFRSZSOTRRAOI-UHFFFAOYSA-N 415.493 5.780 0 40 HKAB CSc1nc(N2CCCCC2)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 2416947 MAULYLYRKXYDDZ-UHFFFAOYSA-N 412.628 5.639 0 40 HKAB O=C1OC(c2cccc(Br)c2)=N/C1=C/c1ccc(-c2ccccc2)cc1 2636023 VCDPYLBNKCRIQV-DEDYPNTBSA-N 404.263 5.461 0 40 HKAB CCn1c(-c2ccccc2)c(C(=O)COc2ccc(F)c(Cl)c2)c2ccccc21 2647918 DSEYIODBVHVWHX-UHFFFAOYSA-N 407.872 6.382 0 40 HKAB CC[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C(=O)OC)C1 2751756 JFWNGXONCMYWOA-JTQLQIEISA-N 412.338 5.609 0 40 HKAB COc1ccccc1Cn1c(SCc2ccc(Cl)cc2)nc2ccccc2c1=O 2970010 QTZLFYGGPACDLF-UHFFFAOYSA-N 422.937 5.399 0 40 HKAB Fc1cccc(Cn2c(-c3cccnc3Cl)nc3cc(Cl)c(Cl)cc32)c1 3135063 UKKADQMGJKHASN-UHFFFAOYSA-N 406.675 6.246 0 40 HKAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(C(C)(C)C)cc3)cc12 3259684 VIZNLROYPDCYLQ-UHFFFAOYSA-N 407.514 6.084 0 40 HKAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccccc1OCc1ccc(F)cc1 3271258 BPGYZWGNYOYHHN-UHFFFAOYSA-N 412.873 5.920 0 40 HKAB COc1ccc(C)cc1Nc1nnc(SCC(=O)c2ccc3ccccc3c2)s1 3280549 XEUDLJXBWRVFMN-UHFFFAOYSA-N 421.547 5.727 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc3nn(-c4cccc(C)c4)nc3c2)cc1 4832505 SXCYNSGZIPSURU-UHFFFAOYSA-N 400.482 5.160 0 40 HKAB O=C(Nc1ccccc1F)N1CCn2cccc2[C@H]1c1ccc(Br)cc1 4854387 MFJJMZXVGONUNH-LJQANCHMSA-N 414.278 5.027 0 40 HKAB CC1(C)C[C@@]2(CCO1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 4956825 NXBFSSGECZATPP-SIKLNZKXSA-N 417.336 5.822 0 40 HKAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1cccc2ccccc12 4966441 GYGYQJWZONVTAE-UHFFFAOYSA-N 401.535 5.268 0 40 HKAB CC(C)(C)c1ccc(-n2nc(-c3ccccc3)c3cnc4c(F)cc(F)cc4c32)cc1 4969957 MNMABCJWRMGEPO-UHFFFAOYSA-N 413.471 6.816 0 40 HKAB C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)N1CCc2ccccc21 5242882 HKUJYLXEQMPREU-KRWDZBQOSA-N 411.530 5.367 0 40 HKAB CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(OCC)cc2)cc1 5484372 OSNUHDRVHMXWKS-SFHVURJKSA-N 413.514 5.228 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 6278560 GJICAIJWVHSDNI-UHFFFAOYSA-N 407.300 6.769 0 40 HKAB O=c1[nH]c2ccccc2nc1CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 6448827 YWIQIGYDQVNUHZ-UHFFFAOYSA-N 410.502 5.273 0 40 HKAB COc1ccccc1-n1cnnc1SCC(=O)Nc1c(C(C)C)cccc1C(C)C 6534685 KSAZMZBCINDYLC-UHFFFAOYSA-N 424.570 5.254 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1 7079983 KQFLNXGBCUUILR-KRWDZBQOSA-N 414.505 6.334 0 40 HKAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)c1nnc(-c2ccc(F)cc2)o1 7114004 GSEZXWYRSCQYTI-ZDUSSCGKSA-N 407.474 5.187 0 40 HKAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1cc(C(F)(F)F)ccc1Cl 8782157 CROQXHBXJOYFDE-UHFFFAOYSA-N 421.728 5.366 0 40 HKAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 10027892 FYZGJYPJYBHWMM-HNNXBMFYSA-N 420.563 5.143 0 40 HKAB COc1cccc(Nc2nnc(S[C@@H](C)C(=O)c3c[nH]c4ccccc34)s2)c1 10267403 VXUHNPWNXZINHU-LBPRGKRZSA-N 410.524 5.135 0 40 HKAB CSc1nc2ccc3nc(Nc4nc5c(F)cc(F)cc5s4)sc3c2s1 11758013 QCIJWSLHJVMKCF-UHFFFAOYSA-N 422.532 6.259 0 40 HKAB Clc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc4c(c3)OCCO4)=NN21 12495640 QPYBCKWPRLKFDV-GBXCKJPGSA-N 418.880 5.354 0 40 HKAB Cc1ccc(SCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 13687513 ROMRAXIGSABOLF-UHFFFAOYSA-N 411.954 5.750 0 40 HKAB Cc1ccc(-c2cc(N3CCOCC3)nc(SCc3ccc(Cl)cc3)n2)cc1 15859174 RDYMWFJPOYFFLX-UHFFFAOYSA-N 411.958 5.234 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1 17090377 LBOPUWZKZMFYAL-UHFFFAOYSA-N 415.518 5.492 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc(C)c1Cl 20144351 FZBDSVBEWKHLAQ-UHFFFAOYSA-N 420.292 5.380 0 40 HKAB CCOc1ccccc1CNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 20481281 COGGCTMAXBSKMS-UHFFFAOYSA-N 411.954 5.961 0 40 HKAB O=c1c2ccccc2nc(SCc2nnsc2Cl)n1CCC1=CCCCC1 22043406 AAYKVYLDZKBFLC-UHFFFAOYSA-N 418.975 5.084 0 40 HKAB CCOc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1 22075359 HCJUOPUMPOIYRZ-QFIPXVFZSA-N 411.929 5.141 0 40 HKAB Cc1ccccc1OCCCn1c(Cc2cccc3ccccc23)nc2ccccc21 31903431 XHABUEIHNMKSDB-UHFFFAOYSA-N 406.529 6.558 0 40 HKAB CCOc1ccc2nc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)sc2c1 33659982 UAUMUCWZBZEKJC-UHFFFAOYSA-N 423.346 6.469 0 40 HKAB CC(C)(C)N1C(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)SC1=S 35039795 JJIPICZJWCZVGV-GDNBJRDFSA-N 422.369 5.709 0 40 HKAB CC(=O)O[C@H]1CCc2c(ccc3c2CC[C@@]2(C)[C@@H]3CC[C@H]2[C@H](C)CC[C@H](C)C(C)C)C1 36372322 KREGYMYHIDTTHK-PKRDTYNISA-N 424.669 7.262 0 40 HKAB CCc1cc(C(=O)N[C@H](C)c2ccccc2)c2c(C3CC3)nn(Cc3ccccc3)c2n1 36621710 XHJBGFJEXJWNQU-GOSISDBHSA-N 424.548 5.410 0 40 HKAB CC(C)c1ccccc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38856725 IBVPHPABGNJHJQ-UHFFFAOYSA-N 405.369 5.968 0 40 HKAB O=C(N[C@H](c1ccc(Cl)cc1)c1cccs1)c1cccc(CN2CCCC2=O)c1 48374477 RVZNAYOCWCVXOG-JOCHJYFZSA-N 424.953 5.043 0 40 HKAB O=c1[nH]c(CSc2ccc(Cl)c(C(F)(F)F)c2)nc2sc3c(c12)CCC3 58764902 LLUAFGRPKKKPCN-UHFFFAOYSA-N 416.877 5.438 0 40 HKAB Cc1ccc(CSCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 59314608 YCQLXBKPFCDYMI-UHFFFAOYSA-N 418.587 6.452 0 40 HKAB CC(C)(C)c1ccc(N2Cc3cc4c(cc3C2)CN(c2ccc(C(C)(C)C)cc2)C4)cc1 59475361 ZUJZYWHJBSAGHF-UHFFFAOYSA-N 424.632 7.322 0 40 HKAB Cc1cc(C(=O)N2C[C@H]3CCC[C@](O)(c4cccc(C(F)(F)F)c4)[C@@H]3C2)sc1C 72340401 RZHBBUFATDTUKH-FPDPHYFHSA-N 423.500 5.144 0 40 HKAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCCCOc1cccc(C)c1C 82086488 MGMBQRLLFVMHSX-HSZRJFAPSA-N 419.569 5.586 0 40 HKAB Cc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@@]2(C)C3(Cl)Cl)cc1 100155754 WMVAPGMEZFZUIW-DNVJHFABSA-N 413.319 6.748 0 40 HKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5ccc(Cl)c(Cl)c5)(C4)C2)C3)cc1 100846432 GPNIHGRGTASSFK-WADIDORASA-N 414.376 6.779 0 40 HKAB CCCNc1c(NC(=O)Nc2ccccc2Br)c(=O)oc2ccccc12 101096107 QURRFAZPIQRTOI-UHFFFAOYSA-N 416.275 5.021 0 40 HKAB O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)[C@H]1C[C@H]2C=C[C@H]1C2 102315489 RIQCNAFELUOENU-DCAQKATOSA-N 412.367 5.288 0 40 HKAB Cc1ccc(N[C@@H]2C[C@H](C)N(C(=O)c3ccc(Cl)cc3)c3cc(C)ccc32)cc1 105513235 CPLDFEAZZPSMOQ-FDDCHVKYSA-N 404.941 6.549 0 40 HKAB O=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1Cc1ccccc1 106681435 XJJPWHDFUUOJOH-IWIPYMOSSA-N 424.525 5.926 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](c4cccc(=O)o4)CC[C@@H]32)C1 118924416 NJSXEKDLWSSOHT-WZHKHAFFSA-N 412.570 5.698 0 40 HKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)cc1C 222934062 DGNKZAOYKOVDIA-PKTZIBPZSA-N 404.583 5.118 0 40 HKAB O=S(=O)(Nc1cccc(OCCc2ccccc2)c1)c1cc(Cl)ccc1Cl 223648769 YUCTXDYWWDSPQS-UHFFFAOYSA-N 422.333 5.416 0 40 HKAB Cc1cnc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)c(Br)c1 223981492 NXWOKEGUECJQQB-UHFFFAOYSA-N 422.367 5.090 0 40 HKAB CCCCOCc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1OC 224443713 GIUGBTBSTIIGKA-UHFFFAOYSA-N 403.522 5.531 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1cccc(OC)c1 224586304 RPZMVWPPPBIEAU-UHFFFAOYSA-N 405.494 5.542 0 40 HKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccccc1CN1CCCCC1 224849923 FJWBUAJYSNVIBM-VWLOTQADSA-N 422.613 5.444 0 40 HKAB CC[C@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(C)c(C)c1 225710785 DJAHHWBSYCYTBZ-DEOSSOPVSA-N 420.647 7.033 0 40 HKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)NCc1cccc2ccccc12 225830401 DMARHFNSZDSFAG-UHFFFAOYSA-N 407.473 5.292 0 40 HKAB C[C@H](OCCCNC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1)c1ccccc1 245237535 MOCIGAJJUKBTTC-CEWLAPEOSA-N 420.578 5.630 0 40 HKAB O=C(CN(C1CCCCC1)C1CCCCC1)N1c2ccccc2Sc2ccccc21 408581148 GSCSVEQLABMJGV-UHFFFAOYSA-N 420.622 6.783 0 40 HKAB O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1cccnc1Cl 408619963 FAOODEGTSYIARC-UHFFFAOYSA-N 402.212 5.588 0 40 HKAB C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCc2ccc(Cl)cc2)o1 409005977 HUQOIJAYTHSLEI-JTQLQIEISA-N 415.729 6.462 0 40 HKAB CCCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1 409094988 GXHSKGZBILTFDE-UHFFFAOYSA-N 421.353 5.393 0 40 HKAB Clc1ccccc1COc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1 409121022 XSQCZLKPSZHATR-UHFFFAOYSA-N 415.920 7.323 0 40 HKAB Cc1ccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)c(C)c1 409122365 YOBNMFUOOIGPBT-UHFFFAOYSA-N 401.937 7.301 0 40 HKAB Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@@H](c2ccccc2)N3)cc1 409136907 UAFNHTZVETZYOY-GNANYNKOSA-N 408.545 6.544 0 40 HKAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)CCCc3ccccc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409351714 AIHWAGYKNUQQLZ-FGSXEWAUSA-N 424.507 5.311 0 40 HKAB CCOC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 409383893 NVLJLLPVTDRWAK-UHFFFAOYSA-N 405.519 5.716 0 40 HKAB CCCc1nc(CCc2ccccc2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265453 QOBUCGJLGACHKF-UHFFFAOYSA-N 424.338 5.947 0 40 HKAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(C3CCCCC3)n2-c2ccccc2)cc1 907336 VWWFZYSCKJCDIW-SFHVURJKSA-N 420.582 5.743 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(NCCc4ccccc4)ncnc32)cc1 1447637 HJNRMKMYHZCPIE-UHFFFAOYSA-N 420.516 5.751 0 40 HKAB O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc2c(c1)[C@H](O)c1ccccc1-2 1715674 GYBADYHXHHPWEX-RUZDIDTESA-N 421.452 5.366 0 40 HKAB Cc1ccc(C(=O)N2c3ccc(Cl)cc3-c3c(ssc3=S)C2(C)C)cc1 1801525 XVVNQRAKLWFXAZ-UHFFFAOYSA-N 418.008 7.063 0 40 HKAB Cc1ccc(-n2c(N)c(C(=O)OC(C)(C)C)c3nc4ccccc4nc32)cc1Cl 2245070 DGGGJQSNUVFCTN-UHFFFAOYSA-N 408.889 5.073 0 40 HKAB COc1ccc(Cl)cc1NC(=O)CSc1nc(C)nc2c1oc1ccccc12 2439528 GERDPDVCJNEJQY-UHFFFAOYSA-N 413.886 5.077 0 40 HKAB O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccccc1F 2644487 WSAUJOJYCZBNBF-UHFFFAOYSA-N 415.921 5.828 0 40 HKAB CCCn1c(SCc2cccc(F)c2)nc(-c2ccccc2)c1-c1ccccc1 3047477 AICKJQRZFRYUIF-UHFFFAOYSA-N 402.538 7.059 0 40 HKAB Cn1c(SCC(=O)Nc2cccc(Oc3ccccc3)c2)nnc1-c1ccccc1 3347861 PYMGIDVURDVKAE-UHFFFAOYSA-N 416.506 5.005 0 40 HKAB CC(=O)C(Cc1ccccc1)(Cc1ccccc1)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 3846395 CEWZSUATUWEZOK-RMUDUWAUSA-N 420.593 6.051 0 40 HKAB biogenic CCOC(=O)c1sc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1C 3953724 GAUIAZIVSZFVFD-UHFFFAOYSA-N 419.506 5.499 0 40 HKAB O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCS[C@@H]1c1ccccc1Cl 4194558 IHLZHKLRUYJUHQ-OAHLLOKOSA-N 408.759 5.083 0 40 HKAB Cc1cc2nc(NC(=O)[C@@H](C)c3cccc(C(=O)c4ccccc4)c3)sc2cc1C 4659235 CPMZYKNVONRJKW-KRWDZBQOSA-N 414.530 5.886 0 40 HKAB COc1cccc(CNCCc2c[nH]c3ccccc23)c1OCc1ccc(F)cc1 4670917 JNXNYTVXYJGSGV-UHFFFAOYSA-N 404.485 5.227 0 40 HKAB O=C1c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H](c2ccc(F)cc2)N1c1ccccc1 4813454 ZEQIOYXUTSVFSF-JOCHJYFZSA-N 403.844 5.619 0 40 HKAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)c3cccc(F)c3)c(Cl)nc12 4861337 LCRVKPDVVANRRX-UHFFFAOYSA-N 418.899 6.178 0 40 HKAB COc1ccc(C2=NN(c3ccc(Cl)cc3)[C@H](c3ccc(OC)c(OC)c3)C2)cc1 4948599 ROQBXWRLEPNQKI-QFIPXVFZSA-N 422.912 5.722 0 40 HKAB CCn1c(SC)nnc1C1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 5001357 NRFZBUPEIBKPNY-UHFFFAOYSA-N 421.570 5.158 0 40 HKAB Cc1cc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nc2ccccc12 5007735 LPAPVFFREHBRMY-UHFFFAOYSA-N 411.741 6.234 0 40 HKAB S=C1[C@H](CCCOCc2ccccc2)[C@@H]2CCC[C@@]23C[C@@]2(CCN13)OCCS2 5940654 JJZMKOGCLSJYJV-SKWRMQMOSA-N 417.640 5.035 0 40 HKAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1cccc(OCc2ccccc2)c1 6045551 UTZHOSAWDBQHPC-UHFFFAOYSA-N 420.940 6.162 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(-c2cc(Cl)ccc2Cl)o1 6861797 BVKIVHNRDTZDQK-UHFFFAOYSA-N 401.076 6.813 0 40 HKAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(-c2ccccc2Cl)o1 7987545 JSPHWYSFTVNOLF-UHFFFAOYSA-N 408.885 5.478 0 40 HKAB Clc1ccc(-c2nnc(CSc3nnc(NC4CCCCC4)s3)o2)cc1 7988274 WQGYKVYTAJXGIJ-UHFFFAOYSA-N 407.952 5.278 0 40 HKAB COc1cc(CNC2CCCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 8470198 ZHIREGVSDQHJDR-UHFFFAOYSA-N 408.369 6.393 0 40 HKAB Cc1ccc(NCCC(=O)c2ccc(C(=O)CCNc3ccc(C)cc3)cc2)cc1 8783278 YTHPWXHZCKCMPL-UHFFFAOYSA-N 400.522 5.673 0 40 HKAB O=C(CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccc2c(c1)CCC2 8987909 RHLLXCMOQIBNMY-HXUWFJFHSA-N 404.535 5.112 0 40 HKAB COC(=O)CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 9144466 FCVSJKNOCDGHRO-UHFFFAOYSA-N 421.547 5.050 0 40 HKAB COc1ccc(C2=NN(C(=O)CSCc3cccc(F)c3)[C@H](c3ccco3)C2)cc1 9449458 UZGXYITXRZVXFB-NRFANRHFSA-N 424.497 5.038 0 40 HKAB COc1ccc(-c2nnc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)o2)cc1 9471855 QMIGETCKSCOQTQ-UHFFFAOYSA-N 422.444 5.213 0 40 HKAB COc1ccccc1CCNC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 11866130 QCLIIDOKQNLYFH-UHFFFAOYSA-N 421.349 5.027 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 11916666 APKYRLHGODKXIM-SFHVURJKSA-N 422.594 5.902 0 40 HKAB O=C(COc1ccc(Cl)cc1)Nc1ccccc1-c1nc(-c2ccccc2)no1 12377037 SIPVBYMJLGMRDL-UHFFFAOYSA-N 405.841 5.075 0 40 HKAB O=P(O)(Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(OC(F)(F)F)cc1 13728725 LOUHGZNRHUUFHM-UHFFFAOYSA-N 414.238 5.454 0 40 HKAB COc1ccc2[nH]cc(/C=C/c3nc4ccccc4c(=O)n3-c3ccccc3OC)c2c1 13803818 TXBSSJNRBLLGRC-SDNWHVSQSA-N 423.472 5.055 0 40 HKAB CC(C)n1ncc2c(C(=O)Nc3nc4c(s3)CCCC4)cc(-c3ccccc3)nc21 14128862 VJLJCZFLIXYFJJ-UHFFFAOYSA-N 417.538 5.267 0 40 HKAB CCCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 16757931 FJADQKNJSIIHME-UHFFFAOYSA-N 424.367 6.352 0 40 HKAB CCCC(=O)Nc1nc2ccc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2s1 17087764 CTMCTVWUXKPMDX-MDWZMJQESA-N 407.539 5.810 0 40 HKAB COc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c(-c3ccc(OC)cc3)c2C)cc1 17091709 CSPXHNNVDZZUAN-UHFFFAOYSA-N 418.924 6.494 0 40 HKAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccc(COC(C)=O)o3)no2)cc1 19023024 CFGYIASOKKSNEX-HSZRJFAPSA-N 424.497 5.124 0 40 HKAB COc1ccc(CCNC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1OC 19908319 GLOXFQFXFHWHDP-UHFFFAOYSA-N 423.556 5.828 0 40 HKAB Cc1cc(C)c(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c(Cl)c1 20144399 TYKIGLSBLKFPRU-UHFFFAOYSA-N 420.292 5.380 0 40 HKAB Cc1n[nH]c(SCc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)n1 20293629 DNQMNSBZSMDHHP-UHFFFAOYSA-N 424.913 5.571 0 40 HKAB CCN(CC)CCCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(C)cc2)n1 20610823 QCFFHXKOLKCDBV-UHFFFAOYSA-N 414.553 5.153 0 40 HKAB biogenic CC(=O)N1CCC[C@H]1c1nc2ccccc2n1CCCCOc1ccc(C)c(C)c1 21787495 QYWFPJZDUVGZTQ-DEOSSOPVSA-N 405.542 5.196 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 30751018 MLZGHHUIFLEZCO-GOSISDBHSA-N 407.819 6.308 0 40 HKAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 32692459 SZYZSJWNTCRNRJ-UHFFFAOYSA-N 411.530 5.850 0 40 HKAB O=C(c1ccc(Br)cc1)N1CCc2sccc2[C@H]1c1cccs1 32781455 PJRVJRKRLJYPJR-KRWDZBQOSA-N 404.354 5.360 0 40 HKAB Cc1cc(C)cc(OC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)c1 41076855 BZJKTNXPLVZSOM-UHFFFAOYSA-N 416.546 5.708 0 40 HKAB COc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 44933219 VSOUPEQPYGRXSH-HNNXBMFYSA-N 421.368 5.091 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1OC[C@H]1CCCO1)c1cccc2ccccc12 59417105 ZQKXPLVGLDOMPP-QGZVFWFLSA-N 415.411 5.669 0 40 HKAB O=C(/C=C/c1ccccc1)Nc1ccc2nc(SCc3ccccn3)sc2c1 59417558 JIEIQYPLVSYXIN-FMIVXFBMSA-N 403.532 5.636 0 40 HKAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1[nH]c2ccccc2c1Br 65492355 KNMMLQOSEBBQEB-GFCCVEGCSA-N 408.299 5.171 0 40 HKAB O=C(c1cccnc1)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72357809 QHZMKWQVDMVJMM-OAQYLSRUSA-N 411.427 5.064 0 40 HKAB Cc1ccc(NC(=O)NC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1NC(=O)NC[C@H]1C[C@H]2CC[C@@H]1C2 100934916 FCHPHCIYHHHYAK-WCAYHLDQSA-N 424.589 5.110 0 40 HKAB O=C(Nc1ccccc1Cc1ccccc1)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 103037434 DQLSOAICGUUMDB-UOYQGRGCSA-N 424.382 5.950 0 40 HKAB Brc1ccc2c(c1)-c1cc(Br)ccc1C2c1ccccc1 104057641 KGZFMGCHOJVKRR-UHFFFAOYSA-N 400.113 6.372 0 40 HKAB Cc1ccc(N2C(=O)/C(=C\Nc3cc(Cl)ccc3C)c3ccccc3C2=O)c(C)c1 104721600 QQTUWQKFEGKKCL-STZFKDTASA-N 416.908 5.905 0 40 HKAB O=C(CSc1nc2ccccc2o1)N1CCS[C@H](c2ccccc2Cl)CC1 206991061 LRHKCSYIPXHPLD-SFHVURJKSA-N 418.971 5.280 0 40 HKAB O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccccc1F 214355142 YCCMQSQZAVBIQJ-KGENOOAVSA-N 405.450 5.855 0 40 HKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@H](CC)c1ccc(OC)c(OC)c1 219351558 QUPHISGGBXFPKH-YADHBBJMSA-N 407.510 5.282 0 40 HKAB O=C(c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)N1CCc2ccccc21 219962028 GIJAULLIHBBCCX-UHFFFAOYSA-N 410.561 5.344 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)c2ccccc2O1 223600315 XYCWDQQFYMLSKT-RUZDIDTESA-N 413.561 6.407 0 40 HKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224096237 AAIZTTUWCPSVAK-NRFANRHFSA-N 422.613 5.106 0 40 HKAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1CSc1ccccc1 224331565 RWUNQVKKBHRQKY-IBGZPJMESA-N 405.563 5.739 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccco2)N1c1ccc(Oc2ccccc2)cc1 224624809 ZCXTZOBOIPLBNT-GOTSBHOMSA-N 413.502 5.644 0 40 HKAB O=C(CSCc1ccc(Cl)cc1F)NCc1cccc(CN2CCCCC2)c1 224700429 CMAKUWDSYKLBQZ-UHFFFAOYSA-N 420.981 5.015 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(OC)cc3)o2)cc1 224919461 NRJROCQAKHVLTG-UHFFFAOYSA-N 414.461 5.668 0 40 HKAB CCc1cccc(C)c1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224959529 ILXOKFVVIUXWCH-UHFFFAOYSA-N 416.908 6.785 0 40 HKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(Br)c(Cl)c1 225352074 VCWGNRNGUCCZOJ-UHFFFAOYSA-N 407.522 5.981 0 40 HKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225793734 NUUYZOLIWUAKRL-ZDUSSCGKSA-N 413.930 5.143 0 40 HKAB CCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccccc2OC)n(CC(C)C)n1 257324038 WMWVGUUPCMUZKB-UHFFFAOYSA-N 408.498 5.369 0 40 HKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2ccc(F)c(F)c2)C1 257343061 ZRIIXMNXBDSODI-VWPQPMDRSA-N 407.888 5.742 0 40 HKAB Cc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)c1 408614786 HYHCXPOUCBPOIT-UHFFFAOYSA-N 413.304 5.484 0 40 HKAB COc1ccc(NC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn23)cc1Cl 408674876 DNYRGHIJDIZDRQ-UHFFFAOYSA-N 418.880 5.398 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(C)c(C)c2)cc1 408697403 HAQJLBCFKXKAFE-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COc1ccc(OCCCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 408702141 DGIZKAFMNVKWPE-UHFFFAOYSA-N 407.535 5.785 0 40 HKAB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1cnccn1 408734625 ABPIBPDFCYYBQF-UHFFFAOYSA-N 415.565 5.290 0 40 HKAB Cc1ccccc1Nc1nc(Nc2ccccc2C)nc(SC2=NCCS2)n1 849817 JWOKQHIWSOTUTQ-UHFFFAOYSA-N 408.556 5.171 0 40 HKAB aggregator COc1ccc(C(=O)CSc2nc(-c3ccccc3)nc3ccc(OC)cc23)cc1 906252 ZDVILAJSOIHJPD-UHFFFAOYSA-N 416.502 5.289 0 40 HKAB Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)cc1Cl 976858 VFCHMMAPIUAQIT-UHFFFAOYSA-N 402.885 5.213 0 40 HKAB Cc1ccccc1NC[C@H](C)Sc1ncc(-c2ccc(Br)cc2)[nH]1 1350527 RTPHXAAHGGFUJB-AWEZNQCLSA-N 402.361 5.740 0 40 HKAB CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1cccc2ccccc12 1353667 WVJIULBXUIFUAI-UHFFFAOYSA-N 412.464 5.949 0 40 HKAB CC(C)(C)C(=O)N1CCc2cc(-c3csc(NC(=O)c4ccccc4F)n3)ccc21 1366716 DOGWNPLGWLVFNI-UHFFFAOYSA-N 423.513 5.137 0 40 HKAB CCN(CC)c1ccc(N[C@H](C(=O)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 1668884 LCMAGTCMJABXSA-VWLOTQADSA-N 418.537 5.586 0 40 HKAB O=C(COc1ccc2ccccc2c1)Nc1ccc(-c2nc3ccccc3s2)cc1 1779636 LMYBJEGTSBWTCH-UHFFFAOYSA-N 410.498 6.134 0 40 HKAB CC[C@@H](C)OC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 1915066 YWZCCWZVIIJDLL-ZIAGYGMSSA-N 400.858 5.222 0 40 HKAB COc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1OCc1ccc(C)cc1 2095628 AWXUKCKXCVMLQB-MTJSOVHGSA-N 417.436 5.066 0 40 HKAB CCCCOC(=O)c1ccc(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)cc1 2124616 YHNOJMZBVQOVPF-UHFFFAOYSA-N 421.493 5.032 0 40 HKAB Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@@H]2C)c(C)c1 2634035 USTXWGKJQFIOGU-LAUBAEHRSA-N 420.582 5.683 0 40 HKAB Cc1cccc(-c2nnn3c2nc(NCCc2ccc(Cl)cc2)c2ccccc23)c1 2694176 DRHNMNOIFCSCMQ-UHFFFAOYSA-N 413.912 5.561 0 40 HKAB Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(C)ccc2O[C@H]3c2cccs2)cc1 2707219 ZZRPWLZSZWLDMI-GOTSBHOMSA-N 412.518 5.169 0 40 HKAB COc1cccc(N(C(=O)/C=C/c2ccccc2Cl)c2nc3ccccc3s2)c1 3269109 VSCQEEVMDXMTAB-BUHFOSPRSA-N 420.921 6.336 0 40 HKAB COc1ccc(OCc2nc(Oc3ccc(OC)cc3)c3c(C)c(C)sc3n2)cc1 3320334 CEWIOKSRCKIYEI-UHFFFAOYSA-N 422.506 5.697 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2cccc(C)c2C)cc1 3655532 VSTGPHKQLASICC-UHFFFAOYSA-N 413.473 5.607 0 40 HKAB CC[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1)C(=O)OC 3658666 HIGUHTLHBBEDLO-IBGZPJMESA-N 421.497 5.270 0 40 HKAB COc1cc2c(cc1OC)[C@H]1CCCC[C@H]1O[C@H]2c1ccc2oc3ccccc3c2c1 4783767 BWCLFDYZBYENDD-STBOBJEWSA-N 414.501 6.749 0 40 HKAB CCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4811468 RFFLSYKZNDQANK-AHKZPQOWSA-N 412.533 6.498 0 40 HKAB CCCCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccoc1C 4860648 WBGRHOXVGFGGHF-UHFFFAOYSA-N 404.923 5.031 0 40 HKAB CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1cccc(C)c1 5500285 TWINYLMUDOXRKH-UHFFFAOYSA-N 408.571 5.302 0 40 HKAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 5657511 QMQXJMAHLPOFBN-QZTJIDSGSA-N 424.566 5.012 0 40 HKAB Cc1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)c(C)c1 6478076 VMTMWXSXPXKRCC-UHFFFAOYSA-N 410.311 5.897 0 40 HKAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccc(-c2ccccc2)cc1 6618483 IKZKQMDUMIVKFA-UHFFFAOYSA-N 415.493 5.678 0 40 HKAB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)Nc4ccccc43)c2C)cc1 6629096 RBZVBZVPNGTSNV-XQNSMLJCSA-N 414.505 5.544 0 40 HKAB c1ccc(-c2nn(-c3ccccc3)cc2CSc2nnc(C3CC3)n2C2CC2)cc1 7419621 ZENZWLWWEDTPEQ-UHFFFAOYSA-N 413.550 5.635 0 40 HKAB C[C@@H](NCc1ccc(-c2cc(Cl)ccc2Cl)o1)C12CC3CC(CC(C3)C1)C2 7524450 HQALOAAXMIISOJ-KWJFTMPMSA-N 404.381 6.948 0 40 HKAB CCOc1c(Br)cc(Br)cc1CNC1CCCCCC1 8253304 LKPIWOZPQFNAHM-UHFFFAOYSA-N 405.174 5.423 0 40 HKAB O=C(Nc1ccccc1)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 8434729 DRHUFLNQAATFCO-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB Cc1c(NC(=O)c2cccc3c(Cl)cccc23)cccc1-c1nc2ccccc2o1 8590661 CTAPSYKMMRHEGI-UHFFFAOYSA-N 412.876 6.862 0 40 HKAB COc1cc2ccccc2cc1C(=O)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 8903678 FVUKZSWPUKGBLB-UHFFFAOYSA-N 420.490 5.276 0 40 HKAB Cc1nc2ccccc2nc1CSc1c(-c2ccccc2)c2ccccc2[nH]c1=O 8944102 QHSAHBMGZSKOIW-UHFFFAOYSA-N 409.514 5.739 0 40 HKAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccccc1Br 10740864 KFBWPCKLYPKNPV-UHFFFAOYSA-N 412.312 5.007 0 40 HKAB O=C1C[C@H](c2cccc(C(F)(F)F)c2)n2c(nc3ccccc32)N1Cc1ccccc1 12548805 CIHSXXMXMOEHAY-OAQYLSRUSA-N 421.422 5.581 0 40 HKAB CC(C)c1ccc(-c2nc(CSCC(=O)Nc3c(F)cccc3F)cs2)cc1 12935155 AKQOPTSJRBXGMS-UHFFFAOYSA-N 418.534 6.084 0 40 HKAB O=C(NCCSCc1ccc(Cl)cc1)c1ccccc1CCc1ccccc1 13688255 VHGIZSZYQIEBHH-UHFFFAOYSA-N 409.982 5.788 0 40 HKAB O=C(NCCc1c[nH]c2ccccc12)c1ccccc1-c1ncc(-c2ccccc2)o1 15514573 YCYHOMOCNIQJQM-UHFFFAOYSA-N 407.473 5.462 0 40 HKAB O=[N+]([O-])/C(C(Cl)=C(Cl)Cl)=C(/Nc1ccccc1)SCc1ccccc1 16480827 BKACIYIXRUHGTK-ICFOKQHNSA-N 415.729 6.363 0 40 HKAB O=C(COc1ccc(F)cc1Cl)N1CCc2sccc2[C@@H]1c1ccccc1 16963854 FXGLMMCKROMIJG-NRFANRHFSA-N 401.890 5.094 0 40 HKAB COc1cccc(C(=O)N2CCC(c3cc(-c4ccc(F)cc4)cc(C)n3)CC2)c1 19691178 BWMVOUJXVRZINO-UHFFFAOYSA-N 404.485 5.225 0 40 HKAB CCOC(=O)c1ccc(NC(=O)[C@@H](CC)Oc2cccc3ccccc23)c(Cl)c1 20107867 VBDHPXGVAHOLFF-HXUWFJFHSA-N 411.885 5.466 0 40 HKAB Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c(C)c1 20411312 ZTQPUARLUPMZEJ-UHFFFAOYSA-N 414.505 6.253 0 40 HKAB Cc1ccc(CSCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 20483995 GTUZGNVBFFQLKO-UHFFFAOYSA-N 414.423 5.585 0 40 HKAB COc1ccc([C@@H]2CC(=O)[C@H](c3ccccc3)[C@@H](c3ccc(OC)cc3)N2C)cc1 22079018 WTVVWISEQLSDPA-AYRHNUGRSA-N 401.506 5.175 0 40 HKAB Cc1ccn2c(NC(=O)Cc3csc(-c4ccco4)n3)c(-c3ccccc3)nc2c1 24974949 HHWVPAVPYREYQG-UHFFFAOYSA-N 414.490 5.207 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)n2)cc1 32623159 DBLXYLINDIDGJP-UHFFFAOYSA-N 419.868 5.383 0 40 HKAB CCOC(=O)c1c(NC(=O)c2sc3cccc(F)c3c2COC)sc(C)c1C 32740659 HSWCGJQOBMBISA-UHFFFAOYSA-N 421.515 5.294 0 40 HKAB COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(F)cc1 32751993 JHKRLSWGABIIGX-LDADJPATSA-N 420.415 5.098 0 40 HKAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 32827266 ZWWDMSPNEIHWRL-XMMPIXPASA-N 414.505 5.233 0 40 HKAB O=C(Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1)c1ccc2c(c1)OCO2 32882801 KWEFRPDBEXBNIU-UHFFFAOYSA-N 407.376 5.079 0 40 HKAB CCCc1ccc([C@@H](NC(=O)CSc2nc(C)cc(C)n2)c2cccs2)cc1 32903954 FJKYCIRATAMMPX-OAQYLSRUSA-N 411.596 5.105 0 40 HKAB Cc1cccc(NC(=O)c2ccccc2SC[C@@H]2CCCN3CCCC[C@H]23)c1C 36056947 USTZOLMUDCRMRV-NZQKXSOJSA-N 408.611 5.912 0 40 HKAB Cc1ccc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c(Cl)c1 37224305 SVZUOYDCZLQZNB-HXUWFJFHSA-N 402.972 5.358 0 40 HKAB CCCN1C(=O)c2cccc3c(S(=O)(=O)Oc4cccc5ccccc45)ccc1c23 41125245 KTFTZUDFQJEPMC-UHFFFAOYSA-N 417.486 5.131 0 40 HKAB CC(C)(C)c1ccc(C2=NC3(CCCC3)N(C(=O)c3cccc(F)c3)C2=S)cc1 45933217 REFLEZBDQZUVQU-UHFFFAOYSA-N 408.542 5.666 0 40 HKAB CCc1ccc([C@@H](NCC(=O)Nc2c(C)cc(C)cc2Cl)c2cccs2)cc1 57460471 SAZVDDQKWSLGLB-HSZRJFAPSA-N 412.986 5.898 0 40 HKAB CCOC(=O)Nc1ccc2c(CSc3ccc(C(F)(F)F)cn3)cc(=O)oc2c1 57897244 CQPBLKIOCZJPGS-UHFFFAOYSA-N 424.400 5.068 0 40 HKAB N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)c1ccccc1 59193972 LLOBOHHWAHDLGG-QGOAFFKASA-N 408.284 6.362 0 40 HKAB CCCCOc1ccccc1-c1cc2c(=O)n(Cc3cccc(Cl)c3)ccn2n1 64977385 RTPLHALRGMIUME-UHFFFAOYSA-N 407.901 5.044 0 40 HKAB O=C(c1ccc(N(Cc2cccc(F)c2)Cc2cccc(F)c2)cc1)N1CCCC1 69455561 SYRVXMPLKDYUMV-UHFFFAOYSA-N 406.476 5.408 0 40 HKAB C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)OCCC1=CC[C@@H]2C[C@@H]1C2(C)C 100473779 DSMACWUWXMGHRZ-BNOWGMLFSA-N 417.760 6.340 0 40 HKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C[C@H]3C=CCC3)CC2)on1 100743859 UYACXNGZFGXJIU-SLFFLAALSA-N 422.573 5.310 0 40 HKAB CC(C)c1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 107837328 QXNYLFNMTNQACC-UHFFFAOYSA-N 423.390 6.458 0 40 HKAB O=C(CCc1cccc2ccccc12)Nc1ccccc1C(=O)N1CCCCCC1 222669282 IIIKAWYALNJVSW-UHFFFAOYSA-N 400.522 5.427 0 40 HKAB CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 223943797 XEEAQADFAIZBEV-LJQANCHMSA-N 416.587 5.050 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cnn(-c2ccc(Cl)cc2)c1 224058527 CTDLZQNITVAOEV-UHFFFAOYSA-N 400.187 5.450 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)c1 224242239 HVAFRFQFLBLOEI-RPWUZVMVSA-N 410.546 5.358 0 40 HKAB O=C(NCc1cccc(CN2CCCC2)c1)c1ccc(CSc2ccccc2)cc1 224590875 YOEANVBMSVBIOC-UHFFFAOYSA-N 416.590 5.505 0 40 HKAB O=C(NCc1cccc(CN2CCCCC2)c1)c1cccc(OCc2ccccc2)c1 224675980 NFQLOJNNXMVYQX-UHFFFAOYSA-N 414.549 5.182 0 40 HKAB Fc1ccc(COc2ccc(CNC(=S)Nc3ccc(F)cc3F)cc2)cc1 225534200 OVMYEVSBERDFDJ-UHFFFAOYSA-N 402.441 5.170 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225848193 QEMAVRVOGXFRCT-KOSHJBKYSA-N 421.578 5.745 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(-c3ccccc3Br)o2)cc1Cl 226348267 ZBOBPELJBWOTPL-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccccc1C(F)(F)F 408571484 CKCKTZKJIKDWRT-ACCUITESSA-N 416.424 5.492 0 40 HKAB CCOc1cc(C(=S)NCc2ccc(C)cc2)ccc1OCc1ccc(F)cc1 408575344 NWFPLJUUUSEGHJ-UHFFFAOYSA-N 409.526 5.577 0 40 HKAB COc1ccc2c(Cl)c(C3=N/C(=C\c4cccs4)C(=O)O3)sc2c1Cl 408971501 GQGUQDQFPFSPQI-YFHOEESVSA-N 410.303 5.623 0 40 HKAB CCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C(=O)O2)cc1 409008799 IJYNZUVPKROVMY-HAHDFKILSA-N 417.436 5.148 0 40 HKAB Clc1ccccc1COc1ccccc1CNc1ccc(Oc2ccccc2)cc1 409117617 PMKHLPTYSPFDSV-UHFFFAOYSA-N 415.920 7.323 0 40 HKAB CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Cl)c1OCC 409146216 RRCGDDADBFGFSB-LDADJPATSA-N 423.962 5.754 0 40 HKAB COc1ccc2cc([C@H]3CC(c4ccc(Cl)cc4)=NN3C(C)=O)c(Cl)nc2c1 644929 XKAGWJNARXYYGR-HXUWFJFHSA-N 414.292 5.248 0 40 HKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(Oc2ccccc2)c1 653744 GYXVLLYMBHUREA-UHFFFAOYSA-N 404.853 6.348 0 40 HKAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc(Cl)ccc1Cl 679740 WDKJPQSJAJSNQP-UHFFFAOYSA-N 405.237 5.100 0 40 HKAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1 956419 CYNDXARSPJQZGP-VQHVLOKHSA-N 417.317 5.473 0 40 HKAB CSc1nc2sc3c(c2c2nnc(SCCC(C)C)n12)C[C@H](C(C)C)OC3 1239453 HEIYRINWULZGJY-CYBMUJFWSA-N 422.645 5.296 0 40 HKAB Cc1nc2sc3c(c2c2nnc(SCc4ccc(Cl)c(Cl)c4)n12)CCC3 1240333 IRHCTCGBRUBUMV-UHFFFAOYSA-N 421.378 5.735 0 40 HKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Br)c(C)n1 1263132 LFXLGPLLYGOLCW-ZZXKWVIFSA-N 416.102 5.120 0 40 HKAB Cc1sc2nc(C3CC3)nc(SCC(=O)N3c4ccccc4C[C@H]3C)c2c1C 1377428 XYUFHTNTCRZDMU-GFCCVEGCSA-N 409.580 5.255 0 40 HKAB aggregator Cn1nc(C(F)(F)F)c2cc(-c3nnc(SCc4ccc(F)cc4)o3)sc21 1401897 IJNQACUDHRLRKZ-UHFFFAOYSA-N 414.409 5.135 0 40 HKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1cc(C)cc(C)c1 1413852 GTEISRGLMLQOCJ-UHFFFAOYSA-N 402.450 5.138 0 40 HKAB CCc1ccc(Oc2coc3cc(OCc4cccc5ccccc45)ccc3c2=O)cc1 1915165 OCPUTCWNWFDJHI-UHFFFAOYSA-N 422.480 6.880 0 40 HKAB Cc1ccc(-c2csc3ncnc(SCC(=O)c4ccc(Cl)cc4)c23)cc1 1935760 ISPIIKMLZHMOHP-UHFFFAOYSA-N 410.951 6.295 0 40 HKAB O=C(Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O)c1ccc(-c2ccccc2)cc1 2211421 LFHGLRAWHVHWQN-QFIPXVFZSA-N 419.484 5.309 0 40 HKAB CCOc1cc2c(cc1OCC)[C@@H](c1ccccc1)N(c1ccc(C)cc1)C(=O)C2 2235474 AYOUWPQWMQEEMZ-AREMUKBSSA-N 401.506 5.471 0 40 HKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)cc2)cc1 2249572 RXCQBNVCWQNRED-UHFFFAOYSA-N 415.294 5.707 0 40 HKAB CCCCOc1ccc(S(=O)(=O)N(CCCC)Cc2cc3ccccc3o2)cc1 2363380 CUCOGMDKKQOMHT-UHFFFAOYSA-N 415.555 5.603 0 40 HKAB COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2cccc(Cl)c2)c1 2626816 FXOCUTMPNVNYIB-UHFFFAOYSA-N 421.802 6.412 0 40 HKAB Cn1c(SCCc2ccccc2)nnc1-c1sc2cc(Cl)ccc2c1Cl 2671164 ZBPSOQIULHFVSA-UHFFFAOYSA-N 420.390 6.338 0 40 HKAB COc1ccccc1CNc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 2714106 ASUVZSCYNDLPNY-UHFFFAOYSA-N 406.489 5.708 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2sc3ccccc3c2s1 3183304 XCMPXEZSPCQCOL-UHFFFAOYSA-N 401.512 7.161 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(-c2ccccc2)cc1 3215907 GJBVPIKEEOVRTK-UHFFFAOYSA-N 408.383 5.205 0 40 HKAB O=C(COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(F)cc1 3234851 YWZYCBPRHRQARZ-UHFFFAOYSA-N 414.885 5.811 0 40 HKAB CCOc1ccccc1NC(=O)[C@@H](Sc1ncnc2ccccc12)c1ccccc1 3245830 CNLUWTKJKDKFDC-QFIPXVFZSA-N 415.518 5.501 0 40 HKAB Cc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1 3352607 OIFFAKWPUCRRIQ-ABZNLYFFSA-N 412.700 5.539 0 40 HKAB O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1cccc(Oc2ccccc2)c1 3408485 XSLJZUAZHFZGNM-UHFFFAOYSA-N 420.469 5.134 0 40 HKAB O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccc(C(F)(F)F)cc1 3515615 QZPJSPWOPHSPLX-UHFFFAOYSA-N 413.395 5.092 0 40 HKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 3655304 RFDIBXUMLYUUAF-UHFFFAOYSA-N 411.501 6.522 0 40 HKAB O=C([C@@H]1CCCN(Cc2cccc(Cl)c2)C1)N1CCC(Cc2ccccc2)CC1 4177092 WIYMWUUWENZZLH-HSZRJFAPSA-N 410.989 5.033 0 40 HKAB Cc1nnc(CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)o1 4246624 FMCRGDSXEHKLPM-UHFFFAOYSA-N 404.417 5.087 0 40 HKAB CCCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccc(Cl)cc1 4328776 NHXOYLYCMARBSC-UHFFFAOYSA-N 400.935 5.048 0 40 HKAB CCc1c(C)sc2nc(C(C)C)nc(SCC(=O)Nc3ccccc3OC)c12 4888837 RPVZQPLUHNLDKJ-UHFFFAOYSA-N 415.584 5.425 0 40 HKAB Cc1sc(-c2cc3ccc(O)cc3oc2=O)nc1-c1ccc(Cl)c(Cl)c1 4996476 AICUABOOVSREPL-UHFFFAOYSA-N 404.274 5.904 0 40 HKAB C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1ccc(F)cc1 5866764 CRNZGIWRRUHUBA-CQSZACIVSA-N 414.506 5.302 0 40 HKAB Cc1ccc(NC(=O)[C@H](Sc2nnc3ccccn23)c2ccccc2)cc1Cl 6114715 QKSQZVFPBADISG-LJQANCHMSA-N 408.914 5.163 0 40 HKAB CC(C)Sc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1C1CCCCC1 6307320 GGYFEEOWKYBYKJ-UHFFFAOYSA-N 416.635 5.116 0 40 HKAB CC(=O)n1c(S[C@H](C)C(=O)N(c2ccccc2)c2ccccc2)nc2ccccc21 6420492 UBKUBISXSDFKMG-QGZVFWFLSA-N 415.518 5.542 0 40 HKAB CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CC1=O 6752550 KIVCWIDTSWWVPU-QFIPXVFZSA-N 409.533 5.362 0 40 HKAB O=C1Nc2cc(Cl)ccc2/C1=C\c1cccc(NC(=O)c2ccccc2Cl)c1 7155743 XWFMZDSTQLNDCN-WOJGMQOQSA-N 409.272 5.738 0 40 HKAB COc1ccc(NC(=O)c2cccnc2Sc2ccccc2Cl)c(OC)c1 7307310 VDSIYHKJWFXSJC-UHFFFAOYSA-N 400.887 5.156 0 40 HKAB O=C(CSc1ccc2c(c1)OCCCO2)c1ccc(NC(=O)c2ccccc2)cc1 7394275 JRTWODGJRZGBTK-UHFFFAOYSA-N 419.502 5.075 0 40 HKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccccc1-c1ccccc1 7706121 VDFMHVOVCHIOKR-QGZVFWFLSA-N 402.519 5.562 0 40 HKAB C[C@H]1CCc2c(sc3nc(-c4ccc(-n5ccnc5)cc4)cc(-c4ccco4)c23)C1 7942683 DEIMMJBVNLCYLA-INIZCTEOSA-N 411.530 6.534 0 40 HKAB Clc1ccccc1COc1ccc(Br)cc1CNCc1ccccn1 8435784 BBOIYFACHMKEHL-UHFFFAOYSA-N 417.734 5.366 0 40 HKAB Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)n1 8664933 PMEUOLRTWVIUEG-QFIPXVFZSA-N 414.436 5.002 0 40 HKAB O=C(Nc1cc(F)ccc1F)c1cn(Cc2ccccc2)nc1OCc1ccccc1 9100501 KFZVMQJBTJJYFC-UHFFFAOYSA-N 419.431 5.041 0 40 HKAB O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1nc(-c2ccc(F)c(F)c2)cs1 12532580 NMXCJXKUJBJCPX-BQYQJAHWSA-N 412.870 5.154 0 40 HKAB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC=C(c2c[nH]c3ccccc23)CC1 12924319 MEYOXCVZFFXVCT-HNNXBMFYSA-N 413.443 5.303 0 40 HKAB Cc1ccc(NC(=O)c2nnc3c(-c4cccc5ccccc45)c(C)nn3c2C)cc1C 13635730 LFFLCBRGPSFDJO-UHFFFAOYSA-N 421.504 5.430 0 40 HKAB O=c1/c(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2nc3ccccc3n12 13804610 AWXPVPGWNAZVDW-ZDLGFXPLSA-N 413.285 5.024 0 40 HKAB COc1cc(OC)c(NC(=O)COc2ccc3oc4ccccc4c3c2)cc1Cl 15948990 JNTJDYNVMKSCCD-UHFFFAOYSA-N 411.841 5.274 0 40 HKAB Nc1c(Br)cc(Cl)c(-c2nc3ccccc3s2)c1Br 16545480 WYGRLENBLUSLRM-UHFFFAOYSA-N 418.541 5.724 0 40 HKAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1C 17052770 MKLYQDPMNAXZEO-UHFFFAOYSA-N 422.941 5.397 0 40 HKAB COC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 17090484 VTFGKCOHSYMSDY-VQHVLOKHSA-N 416.260 5.692 0 40 HKAB COC(=O)c1ccc(Cn2nc(-c3ccc(C)cc3)c(Cl)c2-c2ccc(C)cc2)o1 17092487 MWTMWDYSCIRDTI-UHFFFAOYSA-N 420.896 5.915 0 40 HKAB Cc1cc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)ccc1Cl 17093374 NQSZUUSVWJNPGF-UHFFFAOYSA-N 422.937 6.251 0 40 HKAB c1ccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCN(Cc4cccnc4)C3)n2)cc1 19373147 BWRFYSVINZBTPI-QFIPXVFZSA-N 422.536 5.057 0 40 HKAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN3[C@@H](C)c3ccncc3)cc2n1 19452344 PYAXCEDGKCRUTM-KSSFIOAISA-N 403.452 5.165 0 40 HKAB CC(=O)c1ccc(O[C@H](NC(=O)c2cccc(Cl)c2)C(Cl)(Cl)Cl)cc1 19925255 AHGFUJAKYYRZAA-INIZCTEOSA-N 421.107 5.048 0 40 HKAB OC1=NC(=S)S/C1=C/c1cc(Br)ccc1OCc1ccccc1F 20495136 MCBBBGOWCIGOJE-OVCLIPMQSA-N 424.316 5.496 0 40 HKAB CCOc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccncc2)cc1 23588899 LZXPDWKMMNOUQG-UHFFFAOYSA-N 402.523 5.063 0 40 HKAB Cc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)cc3)c3ccccc23)cc1C 28535060 CBHCLZADUYERHT-UHFFFAOYSA-N 417.896 5.435 0 40 HKAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(CSc2ccccc2)cc1C 30852152 NAACKEGIGZJEEX-IBGZPJMESA-N 405.563 6.256 0 40 HKAB Cc1c(-c2ccccc2)oc2c(C(=O)N(Cc3ccccc3)C3CC3)cccc2c1=O 31097006 ASTKFGSVJOSPLW-UHFFFAOYSA-N 409.485 5.573 0 40 HKAB O=C(CSCc1coc(-c2ccc(Cl)cc2)n1)NCc1ccccc1Cl 31423511 WSJMVNWVUSXUDQ-UHFFFAOYSA-N 407.322 5.198 0 40 HKAB Cc1ccc(CNC(=O)[C@H](C)SCc2coc(-c3ccc(Cl)cc3)n2)cc1 31423910 VSESQWDWYFTGMO-HNNXBMFYSA-N 400.931 5.242 0 40 HKAB COc1ccc(NCc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1 33693901 NRILCRUTZHZBMA-UHFFFAOYSA-N 414.864 5.117 0 40 HKAB Cc1ccc(CN(CCc2nc3ccccc3[nH]2)C(=S)Nc2ccc(F)cc2)cc1 35290207 NBHFWCMGAVFHAR-UHFFFAOYSA-N 418.541 5.452 0 40 HKAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccc(CN4CCCC[C@H]4C)c3)cc2)n1 35322622 ZBJFDCXVKWFXPJ-LJQANCHMSA-N 402.542 5.116 0 40 HKAB Cc1cc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2)c2ccccc2n1 36616466 ULJANDQFSYXVIE-UHFFFAOYSA-N 407.477 5.146 0 40 HKAB Brc1ccc2c(Br)c(OCC[C@@H]3CCCCN3)ccc2c1 42770340 DZTIXUTZTIPEMG-AWEZNQCLSA-N 413.153 5.276 0 40 HKAB CCOc1cc(C(=O)N[C@H]2CCOc3ccccc32)cc(-c2ccccc2)c1OC 48265055 FDFAJSLPVMSRSK-NRFANRHFSA-N 403.478 5.015 0 40 HKAB CCCCc1cc(-c2ccc(C)cc2)c(CCCC)c2c1-c1cccc3cccc-2c13 104212828 OWIMTTVSKJDJKG-UHFFFAOYSA-N 404.597 9.148 0 40 HKAB S=C(c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)N1CCOCC1 107700445 OIJBSEFNNJXOBD-UHFFFAOYSA-N 416.757 5.234 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(CN2CCCc3ccccc32)cc1 216406398 HXFUBLWSDDEKCK-UHFFFAOYSA-N 411.332 6.199 0 40 HKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 216442490 YKNUAXRXUWLNPX-GOSISDBHSA-N 416.345 5.340 0 40 HKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)c(C)n1C1CCCCC1 222916011 RLSJZFRJIZYWLH-DHIUTWEWSA-N 410.631 5.634 0 40 HKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(Cc2ccccc2)c1C 222961573 XGCQWZKBJIQMDZ-RPWUZVMVSA-N 418.610 5.321 0 40 HKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 223032286 SLUNHTSNAVHJMK-VQTJNVASSA-N 417.933 5.233 0 40 HKAB O=C(Nc1cccc2ccccc12)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 223079207 YIWISDBPNKVNAX-UHFFFAOYSA-N 424.475 5.824 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1c1ccc(Cl)cc1 224460713 FEDLMODKYUYJEW-YADHBBJMSA-N 422.985 5.829 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)c3cc4c(ccc5ccccc54)o3)ccc21 225148979 WFGNYSGLKZSYBH-UHFFFAOYSA-N 402.475 5.796 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)ccc1O[C@H](C)CC 225680152 YDICNCZGBYWNCC-LJQANCHMSA-N 423.553 5.800 0 40 HKAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(OC(C)C)cc1)CC(C)(C)O2 225683913 RSPSFDGJFNHBMX-LJQANCHMSA-N 400.544 5.071 0 40 HKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3)CCCCC2)ccc1O[C@H](C)CC 225755697 HCRLNNRJUYWTRS-LJQANCHMSA-N 423.553 5.881 0 40 HKAB O=C(Cc1ccc(Cl)cc1)N[C@H]1C[C@@H](c2ccc(F)c(F)c2)O[C@H]2CCCC[C@H]12 257221280 DOGYPAJQXRVMIG-MNAPGUCWSA-N 419.899 5.366 0 40 HKAB O=C1CS[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)N1c1ccc(Cl)cc1 408558828 WJYSFNJIDIAXTJ-QFIPXVFZSA-N 413.901 5.837 0 40 HKAB Cc1c(Cl)cccc1NCc1ccc(OCc2cccc3ccccc23)c(Cl)c1 409109377 CMTVDJRFMMYXFO-UHFFFAOYSA-N 422.355 7.646 0 40 HKAB CC1CCN(S(=O)(=O)c2nc(-c3ccccc3)oc2-c2ccc(Cl)cc2)CC1 606422348 OVMZHLUBPZSRAZ-UHFFFAOYSA-N 416.930 5.083 0 40 HKAB CC[C@@H](COC(=O)Nc1ccc(Cl)cc1)N1C(=O)CS[C@@H]1c1ccc(C)cc1 837055 WZMZQYOLPGWVBA-AZUAARDMSA-N 418.946 5.250 0 40 HKAB O=c1oc2ccc(Br)cc2cc1-c1csc(Nc2ccccc2F)n1 856347 XRFGMXRVMGWCES-UHFFFAOYSA-N 417.259 5.562 0 40 HKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3ccccc3)cc12 878429 YCHVELRSVMHXCC-UHFFFAOYSA-N 417.534 5.137 0 40 HKAB Cc1cc2nc(CCN(C(=S)NCCc3ccccc3)C3CCCC3)[nH]c2cc1C 1360827 JDYVPVOEUXSAQM-UHFFFAOYSA-N 420.626 5.084 0 40 HKAB c1ccc(-c2nc3sc4c(N5CCCCC5)ncnc4c3c3c2CCCC3)cc1 2293916 QUPSBJKYCWSQDO-UHFFFAOYSA-N 400.551 5.776 0 40 HKAB O=C(O)c1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)cc1 2356321 CIEJUZWMPUGXEJ-UHFFFAOYSA-N 409.272 6.416 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2NC(=O)c2ccc(OCC)cc2)cc1 2753243 ARSXCSPBUVNGEA-UHFFFAOYSA-N 418.493 5.297 0 40 HKAB CC(C)c1ccc(Nc2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)s2)cc1 3232787 WQOLAMCWWGBUKO-HUUCEWRRSA-N 404.605 5.287 0 40 HKAB Fc1ccccc1Nc1nnc(SCc2cc(Cl)ccc2OC(F)F)s1 3264613 BFBCGFXTQOTJCN-UHFFFAOYSA-N 417.865 5.968 0 40 HKAB C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 3669345 OMTSQBNURCOIEJ-NTLHWZGGSA-N 408.328 6.475 0 40 HKAB COc1ccc([C@@H]2c3c(c4ccccc4oc3=O)Nc3ccc4ccccc4c32)cc1 4116373 KSXJIFMTLCFDTP-QHCPKHFHSA-N 405.453 6.192 0 40 HKAB O=C(Nc1nc(-c2csc(NC(=O)C3CCCCC3)n2)cs1)C1CCCCC1 4173510 CMTUSJAIJRPBDY-UHFFFAOYSA-N 418.588 5.304 0 40 HKAB C[C@H]1C[C@@H](NC(=O)c2cccc(C(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 4199609 GEDYDMDWVRNOIZ-MOXQZVSFSA-N 412.618 5.576 0 40 HKAB O=C(c1cccc(Cl)c1)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 4214750 JUUSLKDCUYCARG-UHFFFAOYSA-N 418.949 6.353 0 40 HKAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc2ccccc2c1 4674145 TYECULRQPYDBHR-UHFFFAOYSA-N 409.445 5.369 0 40 HKAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc(Cl)ccc1Cl 4749096 FJTLSFFOLLEWJT-UHFFFAOYSA-N 413.329 6.831 0 40 HKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4C[C@H](CC(F)(F)F)C(=O)[C@@]4(C)CC[C@@H]32)C1 4804015 ZSYUPDORWXUGGF-HMIMPKTOSA-N 414.508 5.708 0 40 HKAB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OC/C=C/c1ccccc1 4815323 YYFYXSQGFNCMRZ-JXMROGBWSA-N 403.503 5.880 0 40 HKAB Cc1ccc([C@@H](OC(=O)c2cc3sccc3n2C(C)C)C(=O)NC2CCCC2)cc1 4967129 SSYRRCQYNLBDTG-JOCHJYFZSA-N 424.566 5.549 0 40 HKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(F)c2)cc1C 5107033 HKGKPYSDMBZENJ-UHFFFAOYSA-N 402.425 5.693 0 40 HKAB CCc1cccc2c(C(=O)CSc3nnc(-c4cccs4)n3C3CC3)c[nH]c12 5359093 IYRBRLYFMNOXIS-UHFFFAOYSA-N 408.552 5.360 0 40 HKAB CC(C)Oc1ccccc1-c1nc2sc(-c3ccccc3OC(C)C)nc2s1 5846968 IOAQOTDSQSRERI-UHFFFAOYSA-N 410.564 6.661 0 40 HKAB CCc1ccccc1NC(=O)c1ccc(COc2ccc(Br)cc2)cc1 6419358 NSWVJYXDJIFFAV-UHFFFAOYSA-N 410.311 5.843 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(Cl)cc3Cl)cc2)cc1 6478798 WVCKEXOYZVWXNU-UHFFFAOYSA-N 414.288 5.911 0 40 HKAB COCc1c(C(=O)Nc2ccccc2Nc2ccc(OC)cc2)oc2ccccc12 6579318 TXBKMHHKBJWGKD-UHFFFAOYSA-N 402.450 5.584 0 40 HKAB C[C@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12)c1ccccc1 6649074 CBBCDWKFNJCAQQ-INIZCTEOSA-N 417.509 5.405 0 40 HKAB CCOc1cc(OCC)cc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 6656374 UMQKKAGGYVEQIN-UHFFFAOYSA-N 418.518 6.013 0 40 HKAB Cc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1 6794839 UBOFMMLGUQGMMU-HXUWFJFHSA-N 411.839 6.178 0 40 HKAB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)CC(C)C)cc1 6956315 FCVNPSYDXQWBHD-UHFFFAOYSA-N 408.325 5.749 0 40 HKAB CC(C)C(=O)Nc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1 8324297 GOVQOPBMYUTQBH-UHFFFAOYSA-N 405.523 5.420 0 40 HKAB COc1ccc(-c2c(-c3ccc(OCc4ccc(Cl)cc4)cc3O)n[nH]c2C)cc1 8972988 PZYZUVJOPSTWME-UHFFFAOYSA-N 420.896 5.999 0 40 HKAB COC(=O)c1cccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1 9067273 LTPVEMWFYBBWHP-UHFFFAOYSA-N 424.287 6.134 0 40 HKAB COc1ccc([C@@H]2CC(C)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc1OC 9419367 JTDZGEKYBGPKSE-SFHVURJKSA-N 413.930 5.808 0 40 HKAB Clc1cccc([C@@H]2N(Cc3ccccc3)c3ccccc3-c3nc4ccccc4n32)c1 9462370 SPMYIAVIOWXRSD-HHHXNRCGSA-N 421.931 6.924 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2c(oc3ccccc32)c1=O 9752337 MOWVMZXGOUDNDA-UHFFFAOYSA-N 421.522 5.017 0 40 HKAB Cc1cccc(OCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c1C 12539272 MDQDQPCOZSJODC-IBGZPJMESA-N 417.509 5.206 0 40 HKAB Cc1cc(C)cc(Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)c1 13041127 QWIBROMJPPZMKG-UHFFFAOYSA-N 412.408 6.373 0 40 HKAB Cc1ccc(Cl)c(Oc2nnc(-c3cccc(C(F)(F)F)c3)c3ccccc23)c1 13115371 DPLRORPQDQTSIS-UHFFFAOYSA-N 414.814 7.070 0 40 HKAB Cc1cc(-c2cc(C(=O)Oc3cccc(F)c3)c3cnn(C(C)C)c3n2)c(C)s1 14729024 AYYYFAUNLMROTI-UHFFFAOYSA-N 409.486 5.716 0 40 HKAB CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@]1(C)CCc2c(C)c(O)cc(C)c2O1 14767731 FGYKUFVNYVMTAM-UXRPBPJUSA-N 410.642 8.292 0 40 HKAB endogenous,in-man O=C(c1ccc(Cl)cc1)c1noc(-c2ccccc2)c1S(=O)(=O)c1ccccc1 16491794 MCTZZYHCCJCVCP-UHFFFAOYSA-N 423.877 5.059 0 40 HKAB CC(C)Nc1n[nH]c2nc([C@@H]3CCCN3C(=O)CC3CCCC3)cc(C(F)(F)F)c12 19742402 WGDOISZFOMJBOJ-INIZCTEOSA-N 423.483 5.041 0 40 HKAB Cc1[nH]c2ccccc2c1[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 19879425 UXBFWPHVZCTVEJ-XMMPIXPASA-N 405.542 5.589 0 40 HKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1cccc(Br)c1 20037811 KPEJNFCVEZLTCT-UHFFFAOYSA-N 405.144 5.628 0 40 HKAB Cc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20041225 WGXPYIBVACFRHZ-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCOc1ccc([C@@H](CNC(=O)c2cccs2)c2c[nH]c3ccccc23)cc1OC 21525217 SVTUTNKMUDRAQU-GOSISDBHSA-N 420.534 5.199 0 40 HKAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)o1 21545440 ABWHCTZGAHPLTO-UHFFFAOYSA-N 424.309 5.173 0 40 HKAB O=C(Nc1ccc(Br)cc1F)c1cc(-c2cccnc2)nc2ccccc12 21935142 OLVDQPCDQWCKHP-UHFFFAOYSA-N 422.257 5.451 0 40 HKAB O=C(Cc1ccccc1)Nc1nc(-c2ccc(-c3ccc(C(=O)O)cc3)s2)cs1 27913739 WKTORKPKRQXAKS-UHFFFAOYSA-N 420.515 5.418 0 40 HKAB C[C@@H]1C[C@@H]1c1ccc(CN(C2CC2)S(=O)(=O)c2c(Cl)cccc2Cl)o1 30368800 KWCYLUSMAWXRSJ-RISCZKNCSA-N 400.327 5.063 0 40 HKAB Cc1nc(-c2c[nH]c(C(=O)N(CCc3ccccc3)Cc3ccccc3)c2)cs1 30774060 PZBMEKOPCYGGLU-UHFFFAOYSA-N 401.535 5.332 0 40 HKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cc(C)ccc4C)cc3)n2)cc1 32578471 MXTBUCZXHHWHJA-UHFFFAOYSA-N 413.477 5.346 0 40 HKAB CCCCN1C(=O)COc2ccc(NC(=O)c3oc4cc(C)cc(C)c4c3C)cc21 32593487 UKJLAMNNZMDFST-UHFFFAOYSA-N 406.482 5.136 0 40 HKAB CCOCc1c(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)oc2ccccc12 32678925 LWUZEERYYYLUDG-UHFFFAOYSA-N 421.493 5.283 0 40 HKAB Cc1noc([C@H](C)Sc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)n1 32905973 RZJCNTPXHRNDIL-LBPRGKRZSA-N 418.444 5.648 0 40 HKAB CCn1c(COc2ccc(OC)cc2)nnc1SCc1ccc(Cl)cc1Cl 33509631 DTPFTGKGYQSQFD-UHFFFAOYSA-N 424.353 5.485 0 40 HKAB O=C(Nc1sc(NC(=O)c2ccccc2F)nc1-c1ccccc1)c1ccccc1 35671782 ZHYBMXDAQGXMPJ-UHFFFAOYSA-N 417.465 5.454 0 40 HKAB O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1Cc1ccccc1Cl 40397256 LNTADISOVNFGPE-UHFFFAOYSA-N 421.287 5.066 0 40 HKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccc(F)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 40485504 RKEWZTQBIDRTGH-JOCHJYFZSA-N 407.872 5.840 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 44844742 HALJXWLYZCHTHS-HNNXBMFYSA-N 423.987 5.576 0 40 HKAB CCOC(=O)c1c(C)nc2n(CCOc3ccc(C(C)(C)C)cc3)c3ccccc3n12 51325940 BEWHJROAVKZIKI-UHFFFAOYSA-N 419.525 5.151 0 40 HKAB C=Cc1ccc(CSc2nc3ccsc3c(=O)n2CCc2ccccc2)cc1 71327591 QPDUTHASAOFVNH-UHFFFAOYSA-N 404.560 5.636 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1 72229967 PPPSLURBPXUUDL-HSZRJFAPSA-N 409.913 5.853 0 40 HKAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1nc(-c2ccc(C)cc2)no1 72277183 JUDSVFLBUAYWTP-FCHUYYIVSA-N 403.526 5.162 0 40 HKAB O=C(CN(Cc1ccccc1)CC(F)F)Nc1ccc(Cl)cc1C(F)(F)F 72308840 NTHXWUVQWICZTL-UHFFFAOYSA-N 406.782 5.065 0 40 HKAB O=C(NC1CCCCCC1)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1 96037830 SOFMNGQFSHMMPJ-UHFFFAOYSA-N 419.456 5.742 0 40 HKAB O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(Br)cc1Cl 96170987 LZQPDXXDVZYJON-UHFFFAOYSA-N 409.589 5.645 0 40 HKAB O=C(CC(=O)c1ccc(-c2cccs2)s1)c1ccc(-c2cccs2)s1 100476047 JLVWUBGGZSKQGO-UHFFFAOYSA-N 400.571 6.722 0 40 HKAB Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)C=C[C@H](c4ccccc4)[C@H]3C2=O)c1C 100502734 KELPOJPJNQMGFZ-YUEVXQQWSA-N 407.513 5.546 0 40 HKAB Cc1ccccc1NC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 101485426 INDVPNLGCUYICS-DFMIVSQNSA-N 408.545 6.544 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)C[C@H](O)CC[C@]34C)[C@@H]1C[C@H](CN1CCCCC1)C2=O 118915072 YHCZRFRDIZKNKD-LUEXWORASA-N 401.635 5.061 0 40 HKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1Cc1ccccc1 223378791 OZOKMXMFIVMYBV-GOTSBHOMSA-N 402.567 5.171 0 40 HKAB O=C(NCCOc1ccc(F)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 223396005 YCZNBYZVGPHFPB-UHFFFAOYSA-N 415.917 5.580 0 40 HKAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)c(Cl)c1Cl 223852772 RJPWQRPRISUWCW-UHFFFAOYSA-N 422.289 5.702 0 40 HKAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccc(C)cc1 224129791 INYPIRCWRWBHCK-HXUWFJFHSA-N 403.522 5.334 0 40 HKAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1CSc1ccc(C)cc1 224339864 JZJQRPNUQXLDTP-UHFFFAOYSA-N 420.534 5.507 0 40 HKAB CCOc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccccc1C(C)C 224564826 QSYCGWVQVRZHPI-UHFFFAOYSA-N 407.485 6.179 0 40 HKAB CCc1ccc(CC)c(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 225678090 AGAFBMCLKJRRKX-UHFFFAOYSA-N 412.577 5.300 0 40 HKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OC)c1 225823342 LQGSVYYOEAONKZ-UHFFFAOYSA-N 421.578 5.314 0 40 HKAB CCCCOc1cccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)c1 226363532 PAKOLQHOURGJBB-UHFFFAOYSA-N 409.938 6.962 0 40 HKAB COc1cc(OC)cc(C(=O)N2CC[C@]3(Cl)CCCC[C@H]3[C@H]2c2ccccc2)c1 245227234 HLWRCSWXRBUKBS-WMTXJRDZSA-N 413.945 5.459 0 40 HKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@H]3c2ccccn2)cc1 248377437 GQIQXMCBRHJHTO-DHLKQENFSA-N 415.493 5.121 0 40 HKAB CC1=C2C[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C 252162826 QASFUMOKHFSJGL-PGKHQSRWSA-N 411.630 5.002 0 40 HKAB biogenic,in-vitro CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(Cl)c(OC)c(Cl)c3)N21 260752838 ACLCDJWGWRXWNO-JLZZUVOBSA-N 408.354 5.376 0 40 HKAB COc1cc(C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(C)cc1 408555146 VVVWBDYPTASPOE-UHFFFAOYSA-N 416.304 6.142 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccc(Cl)cc2)cc1 408699087 UMUJGTWLLBYMRC-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)c1 408699660 VMRGYDDUQCIPRU-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 409197918 RXNDVPRUHPWAEO-UHFFFAOYSA-N 409.791 6.092 0 40 HKAB Fc1ccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)cc1 409206500 PDGKTGPOOKHOHX-UHFFFAOYSA-N 404.254 5.918 0 40 HKAB O=C(CCSc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 409317976 SIUHBUMPDKHGTL-UHFFFAOYSA-N 418.345 6.907 0 40 HKAB CC(C)CN1C(=O)C2(CCN(C3CCCCC3)CC2)C[C@@H]1Cc1ccc(F)cc1 2037845507 GVGZBYSAPKXCAJ-QHCPKHFHSA-N 400.582 5.040 0 40 HKAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1cccc2ccccc12)OCCO3 928299 CYZNAJGGFXJLGT-UHFFFAOYSA-N 416.502 5.198 0 40 HKAB CCC(=O)Nc1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1C 976141 QCHUANLSMPGMSC-UHFFFAOYSA-N 418.522 5.305 0 40 HKAB CC[C@@H](C)c1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 1459922 ITLLNJZEFJIHRH-UKRRQHHQSA-N 405.325 5.499 0 40 HKAB Cc1ccc(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)cc1C 1516553 KWSDGKFQZDAGPL-UHFFFAOYSA-N 412.514 5.910 0 40 HKAB CN(C)CCCN(c1nc2cc(Cl)ccc2o1)c1nc2cc(Cl)ccc2o1 1615420 BRNUASLKHWKCTR-UHFFFAOYSA-N 405.285 5.366 0 40 HKAB CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(C(C)(C)C)cc3)cc2oc1=O 2152135 OVXMLUFWROWUBE-UHFFFAOYSA-N 422.521 5.474 0 40 HKAB biogenic CCc1ccc(OCCCn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)cc1 2202376 YILGUEKRWDWOSQ-UHFFFAOYSA-N 414.505 5.104 0 40 HKAB CCOCCCn1c(-c2ccc(Cl)cc2Cl)nc2nc3ccccc3nc21 2424182 PPPQOWNBGYNECO-UHFFFAOYSA-N 401.297 5.380 0 40 HKAB CCC(=O)c1c(-c2ccccc2)c2c3n(c(-c4ccc(Cl)cc4)cn13)CCCC2 2424999 BHNWZRKRLIMKGR-UHFFFAOYSA-N 402.925 6.657 0 40 HKAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 2643015 WYLMITLMUWCLCC-LLVKDONJSA-N 407.948 5.098 0 40 HKAB CCCCc1ccc(NC2=NC(=O)[C@H](Cc3cc(Cl)ccc3Cl)S2)cc1 2669294 SBJHQZMLENGLBQ-SFHVURJKSA-N 407.366 5.989 0 40 HKAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)Nc1ccc(C)cc1 2764118 PTHAHYNBUYSQLP-UHFFFAOYSA-N 400.887 5.808 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(N(C)C4CCCCC4)ncnc32)cc1 2974830 NVTFOOOBQMNKOL-UHFFFAOYSA-N 412.537 5.865 0 40 HKAB COc1cccc(C(=O)Nc2ccc(Sc3ccc(Br)cc3)cc2)c1 3111091 WIMDBNCXZGNCPI-UHFFFAOYSA-N 414.324 5.861 0 40 HKAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 3190470 QDZHVDJQQFUSJT-OKHMJZBSSA-N 415.492 5.411 0 40 HKAB biogenic COc1ccc(N2C(=O)[C@H](c3cccc4ccccc34)[C@H]2c2ccc3c(c2)OCO3)cc1 3199479 BGYOKAVQFGKYKZ-CLJLJLNGSA-N 423.468 5.449 0 40 HKAB Cc1ccc(CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2C(C)C)cc1 3286792 KSHCMQFPSUINJW-UHFFFAOYSA-N 413.590 6.967 0 40 HKAB C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 3669347 OMTSQBNURCOIEJ-RNRLWQTKSA-N 408.328 6.475 0 40 HKAB Cc1ccccc1NC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 4092141 IFTQRQPSNACDEI-MDWZMJQESA-N 412.316 6.533 0 40 HKAB CC(C)(C)c1csc(NC(=O)CSc2nc3ccccc3c3c2CCCC3)n1 4859067 AOWHTGYMBLKIID-UHFFFAOYSA-N 411.596 5.598 0 40 HKAB Cc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4ccc(Cl)cc4c32)cc1C 4970114 WEESWHZNKREBEL-UHFFFAOYSA-N 401.872 6.650 0 40 HKAB Cc1ccc(C(=O)N/C(=C\c2ccccc2Cl)C(=O)Nc2cccc(C)c2)cc1 5009891 HAGVKBVXXGMRGH-JCMHNJIXSA-N 404.897 5.366 0 40 HKAB C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CCC(c2nc3ccccc3s2)CC1 5090414 JRWXZOMVDUTHCX-CYBMUJFWSA-N 417.937 5.295 0 40 HKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Cl)cc1Cl 5125445 KQYMTSQIZVOQLD-UHFFFAOYSA-N 400.349 6.714 0 40 HKAB CCCN1CCC2(CC1)Oc1c(C)cccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 5297942 IQOAPWMPEWUSKE-JOCHJYFZSA-N 409.961 5.394 0 40 HKAB CC[C@](C)(Oc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)OCc1cccnc1 5316998 VKNSAVOURPMBRN-DEOSSOPVSA-N 409.913 5.617 0 40 HKAB in-man CCCOc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 6073275 DGXLLTLYNMJHOP-HXUWFJFHSA-N 415.559 5.285 0 40 HKAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1 6215484 UJLSFSMZOOSQLA-LJQANCHMSA-N 400.478 5.033 0 40 HKAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nc(-c4c[nH]c5ccccc45)cs3)cc2)n1 6509717 RUPIHMBLOKXFET-UHFFFAOYSA-N 413.506 5.346 0 40 HKAB Cc1ccc([C@@H]2CC(c3ccccc3)=Nc3ccccc3N2C(=O)c2ccccc2)cc1 6962411 BMRMOCVMTVCJAO-NDEPHWFRSA-N 416.524 6.908 0 40 HKAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCCc3ccccc32)c1 7779882 YUEUQFJHUVRUJZ-UHFFFAOYSA-N 423.516 5.200 0 40 HKAB COc1cccc(-c2nc(COC(=O)Cc3coc4cc(C)c(C)cc34)cs2)c1 7814699 IPMCKJAUOMUSLL-UHFFFAOYSA-N 407.491 5.468 0 40 HKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 7882215 LMZFQVXVQPYFIA-MRXNPFEDSA-N 406.869 5.124 0 40 HKAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CN2CCC[C@@H]2c2cccs2)c1 8325467 WRASFAULQSCTPY-OAQYLSRUSA-N 419.550 5.084 0 40 HKAB CN(C)c1ccc(/N=c2\oc3ccccc3cc2-c2nc(-c3ccccc3)cs2)cc1 8441991 BGDCEYOLTLPZCJ-RFBIWTDZSA-N 423.541 6.522 0 40 HKAB CCCCOc1ccc(C(=O)NC[C@H](c2ccsc2)N2CCCCCC2)cc1 8863006 WSIOWRLPAMRZCV-JOCHJYFZSA-N 400.588 5.274 0 40 HKAB COC(=O)c1ccc2nc(NC(=O)COc3ccc(C4CCCCC4)cc3)sc2c1 8904281 PEHDWVFNRLZOII-UHFFFAOYSA-N 424.522 5.148 0 40 HKAB CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4OC)ccc3o2)cc1 9660184 WCEXFUGEEKZSLF-UHFFFAOYSA-N 415.445 5.120 0 40 HKAB biogenic O=C(CCc1nc(-c2cccs2)no1)N1CCCC[C@@H]1c1nc2ccccc2s1 9669580 OEJFPJLLGGWEPL-OAHLLOKOSA-N 424.551 5.094 0 40 HKAB CCOc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2c(F)cc(F)cc23)cc1 9676135 HRNCXJIVPOGOGJ-UHFFFAOYSA-N 419.406 6.057 0 40 HKAB Cc1oc2cc3oc(=O)c(CCC(=O)NCc4cccc(Cl)c4)c(C)c3cc2c1C 11867545 ZLJZXUJDLRNKPV-UHFFFAOYSA-N 423.896 5.367 0 40 HKAB Cc1cccc(-c2nnc([C@H](C)OC(=O)c3c4c(nc5ccccc35)CCCC4)o2)c1 12567923 OGFBMCWLPZZBGT-INIZCTEOSA-N 413.477 5.390 0 40 HKAB CSc1ccc(CN(C)[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)cc1 12812087 BABSLUZLZIQUEH-CYBMUJFWSA-N 411.552 5.160 0 40 HKAB Cc1ccc(-c2noc(CSCCCC(=O)Nc3c(C)cccc3C)n2)cc1F 13012183 PTZFAQVHOHFXMQ-UHFFFAOYSA-N 413.518 5.453 0 40 HKAB CCCCCSc1ncnc2c1sc1nc(CCC)c3c(c12)CC(C)(C)OC3 13284515 WONQKZXVNOUTIP-UHFFFAOYSA-N 415.628 6.326 0 40 HKAB CCc1c(-c2cccc(OC)c2)nn(Cc2ccc(C)cc2)c1-c1cccc(OC)c1 13960727 CEDGFQCWXZAATI-UHFFFAOYSA-N 412.533 6.153 0 40 HKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 14022816 RZKHVDQKCKTIAG-NTKDMRAZSA-N 416.521 5.282 0 40 HKAB Cc1ccc(-c2noc(CSc3nnc(Nc4ccccc4F)s3)n2)cc1F 14241265 LFBQNVHNMSIEPU-UHFFFAOYSA-N 417.466 5.211 0 40 HKAB CC1=CC(C)(C)N2C(=O)[C@]3(SCC(=O)N3c3cc(C)cc(C)c3)c3cc(C)cc1c32 14671895 VKXWQNJYLWVWRR-RUZDIDTESA-N 418.562 5.087 0 40 HKAB COc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cs2)cc1 15832716 QBDCLODACPSKBM-INIZCTEOSA-N 424.566 5.200 0 40 HKAB Cc1cc(C)c(NC(=O)Cn2c(-c3nnc(CC(C)C)o3)cc3ccccc32)c(C)c1 15881561 GEMXOWKHFUJJAD-UHFFFAOYSA-N 416.525 5.454 0 40 HKAB Cc1ccc(C(=O)c2c(C)nn(C)c2OC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 16292086 KRUVDTPEJJLHFT-UHFFFAOYSA-N 418.280 5.186 0 40 HKAB CSc1ccc(/C=C2/SC(=O)N(CNc3cc(Cl)ccc3C)C2=O)cc1 16347715 AGLVOIZGOPNYKI-RQZCQDPDSA-N 404.944 5.476 0 40 HKAB CCOC(=O)C1=Cc2c(ccc3ccccc23)O[C@]12C=Cc1c(ccc3ccccc13)O2 16682583 ALJLUCYAMNZQRB-MUUNZHRXSA-N 420.464 6.134 0 40 HKAB COc1ccc2ncc3c(-c4ccccc4)c(C(=O)NC[C@@H]4CCCO4)sc3c2c1 16846857 YCQIVZLVXPQUFI-KRWDZBQOSA-N 418.518 5.034 0 40 HKAB CCSc1ccccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20451233 WORSDKXYKKCWSI-UHFFFAOYSA-N 402.563 6.004 0 40 HKAB O=C(Cc1ccc2c(c1)OCCO2)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 25388035 YTYLQYKQGMCHQW-UHFFFAOYSA-N 421.305 5.069 0 40 HKAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1 26638730 XHKXWCRMYHNTDD-GFCCVEGCSA-N 407.272 5.598 0 40 HKAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)CCC1CCCCC1 27921587 DKYASWYEIXQGRU-UHFFFAOYSA-N 418.379 5.610 0 40 HKAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 30943740 WSPBQJJAYHNRJV-MJGOQNOKSA-N 419.396 5.343 0 40 HKAB O=C(Nc1ccc(-c2nc3cnccc3o2)cc1)c1sc2ccccc2c1Cl 32089188 ZKLJRPUWIOXYIU-UHFFFAOYSA-N 405.866 6.010 0 40 HKAB O=C(Nc1nc(CN2CCCC2)cs1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 32978588 GMZZETMBJGCIEW-UHFFFAOYSA-N 421.444 5.270 0 40 HKAB CCOc1c(Br)cc(Br)cc1CNc1ccccc1CC 37213357 GDVZLXHYKYYUFI-UHFFFAOYSA-N 413.153 5.785 0 40 HKAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cc2c(s1)CCC2 40159469 BNFXOFAKJOHIGX-UHFFFAOYSA-N 401.484 5.143 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1nc(-c2cccc3ccccc23)cs1 57315828 RROKABAWCIOVON-JQIJEIRASA-N 422.509 6.875 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccccc1N1CCCC1 57315912 VETZVPPHVLPUOQ-FYWRMAATSA-N 417.534 5.073 0 40 HKAB CC[C@@H](C)Sc1ccc(NC(=O)COc2ccccc2OC)c(C(F)(F)F)c1 58173010 TVTKHCJMTHLUMN-CYBMUJFWSA-N 413.461 5.622 0 40 HKAB CCCCc1ccc(N2C[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)CC2=O)cc1 59488482 QDTCDZNVAMHDPT-OAHLLOKOSA-N 405.325 5.328 0 40 HKAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 63890081 GGYFVONGVAXLJX-UHFFFAOYSA-N 424.806 5.594 0 40 HKAB O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Cl)c(Cl)c1)N1CCCC1 64658303 GAMNFHBFFWSBGV-UHFFFAOYSA-N 404.272 5.660 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C(F)(F)F)c2)nc1 67296575 OYQYLRCJBSMFDY-SLMZUGIISA-N 423.394 5.640 0 40 HKAB COC(=O)c1c(NC(=O)/C=C/c2cc3ccc(C)cc3o2)sc2c1CC[C@H](C)C2 67339796 WMGJHMPWGYQOPZ-KGXGESDWSA-N 409.507 5.366 0 40 HKAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 71844299 XHZNPRUTDUDLFB-UGKGYDQZSA-N 424.491 5.737 0 40 HKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72215128 DHNDPOMODFQLRV-RXVVDRJESA-N 423.557 5.599 0 40 HKAB O=C(CCc1ccccc1)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 72349044 ITLAOKCKLUVANR-UHFFFAOYSA-N 402.513 5.150 0 40 HKAB Cc1c(-c2nnc3sc(-c4cc(Cl)ccc4Cl)nn23)oc2ccccc12 96194142 VGTRDRCWCPSFRT-UHFFFAOYSA-N 401.278 5.881 0 40 HKAB Cc1noc(-c2cnc(N(C)C)nc2[C@H]2CCCN2Cc2ccc(C(C)C)cc2)c1C 96315932 NHAKTQIUTYCJTP-JOCHJYFZSA-N 419.573 5.275 0 40 HKAB OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nn3[C@@H]2c2cccnc2)CCC1 102584349 ODJFPHYURBWFPK-LJQANCHMSA-N 423.929 5.290 0 40 HKAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3nc(-c4ccc(C(C)C)cc4)cs3)C(=O)[C@H]21 102632219 MOPVZCFMGRPAIT-DEPWHIHDSA-N 406.551 5.415 0 40 HKAB OC1=C2C(=Nc3ccccc3N[C@H]2c2ccc(F)cc2)C[C@@H](c2ccc(Cl)cc2)C1 102642694 STICKSNCYMGCLF-NSYGIPOTSA-N 418.899 7.108 0 40 HKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 107661484 DSTCRHXVXZXCEY-UHFFFAOYSA-N 422.956 6.149 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(C(C)C)cc2)c1 223077789 JYKWSQWVILVLJL-JCMHNJIXSA-N 404.535 5.590 0 40 HKAB CC[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc(OC)c(C)c1 223161715 UHMZMWVSDVUZSU-SFHVURJKSA-N 422.388 5.267 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1CSc1ccc(Cl)cc1 224346651 QSFYULZCSDIXPO-UHFFFAOYSA-N 411.954 6.510 0 40 HKAB Cc1ccc(C(=O)Nc2nnc(SCc3ccccc3Cl)s2)c(Cl)c1 225006528 VFDSSCPGZBXYMW-UHFFFAOYSA-N 410.351 5.698 0 40 HKAB O=C(O)[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1cccc(Cl)c1 225133378 ALOTVPMLMCNWJD-HXUWFJFHSA-N 403.261 5.860 0 40 HKAB CC(C)(C)c1ccccc1O[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)C(=O)O 225133595 PDZBSOPOZLJSEY-HSZRJFAPSA-N 424.924 6.505 0 40 HKAB Fc1ccccc1CSCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225412471 YNLLQUIMMQHYQK-UHFFFAOYSA-N 422.900 5.718 0 40 HKAB COc1ccccc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257244438 ILHMUWLYEDHVHZ-FQEVSTJZSA-N 410.901 5.295 0 40 HKAB CC1=C(C)C[C@@H](C(=O)N2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)CC1 257247131 IXQUSIGKEVPWAY-QHCPKHFHSA-N 406.545 5.654 0 40 HKAB COc1cccc(C(=O)N2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)c1 257341259 ZJOAJOJLUYQTDZ-OAQYLSRUSA-N 420.940 5.354 0 40 HKAB COc1cc(C(=S)NCCc2ccccc2)cc(Cl)c1OCc1ccccc1 408572777 IDSPMBKVZASAJK-UHFFFAOYSA-N 411.954 5.435 0 40 HKAB Cc1ccccc1-n1nc(C(=O)Nc2ccccc2)cc1-c1ccc2ccccc2c1 408723993 BVKJTWIAZBDQEU-UHFFFAOYSA-N 403.485 6.253 0 40 HKAB COc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2C)c(OC)c1 408823606 FLPZIKYCEZZEEU-UHFFFAOYSA-N 423.321 5.695 0 40 HKAB COc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(C)cc1 409118727 UEGLFLMIHLHJFJ-UHFFFAOYSA-N 416.348 6.810 0 40 HKAB CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(-c2ccccc2)cc1 409129491 GWUJPPIYUYWQAV-UHFFFAOYSA-N 424.338 6.004 0 40 HKAB CCCN1CCCCCOc2ccc(C(=O)NC(C)C)cc2Cc2cccc(c2)C1 643579848 HSBUHAMYBZWIKX-UHFFFAOYSA-N 408.586 5.190 0 40 HKAB CC(=O)Nc1ccc([C@H]2C[C@@](C)(NC(=O)c3ccccc3)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1 2037844051 MDGICXBQUHTBPE-OTJYMVIVSA-N 420.553 5.100 0 40 HKAB CCC(=O)Oc1cc2oc(CC)c(-c3ccc4c(c3)OCCCO4)c(=O)c2cc1CC 630389 UJCHFBBXQMMPCU-UHFFFAOYSA-N 422.477 5.062 0 40 HKAB biogenic CCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccccc2F)C[C@H]1C 898887 IUOFMGKXWZXZMF-KOSHJBKYSA-N 416.496 5.749 0 40 HKAB Cc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 901389 NLBZMJFXLOWKNM-UHFFFAOYSA-N 409.458 5.263 0 40 HKAB CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CC[C@H](C)C2 1081622 JQTJJHAYWQYBLW-NSHDSACASA-N 421.360 5.236 0 40 HKAB COc1ccc([C@H](O)c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)cc1 1408149 FCQSAMPQSYIOEP-DEOSSOPVSA-N 400.522 5.472 0 40 HKAB CC(C)c1nc2sc3c(SCCc4ccccc4)ncnc3c2c2c1CCCC2 1788046 UOFUSXXDTKASJE-UHFFFAOYSA-N 419.619 6.577 0 40 HKAB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccccc1 2078707 ZRBMCJTZXOWFTB-UHFFFAOYSA-N 401.849 5.595 0 40 HKAB COc1cc(OC)cc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)c1 2234963 GVUHUFADLWLDKV-UHFFFAOYSA-N 416.868 5.306 0 40 HKAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Cl)cc1)N(c1ccccc1)C(=O)C2 2409749 ZVLQPSVLHGPCNM-RUZDIDTESA-N 421.924 5.816 0 40 HKAB Cc1ccc2c(c1)[nH]c1c(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)ncnc12 2417744 CTPFOLJYPANJNU-UHFFFAOYSA-N 412.324 5.053 0 40 HKAB CC(C)Oc1ccc(C(=O)OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 2653555 JHHNGEIVTXLOMM-UHFFFAOYSA-N 405.450 5.062 0 40 HKAB c1ccc(-c2nc(-n3cnc4ccccc43)c3cc(-c4ccccc4)sc3n2)cc1 2679494 GFVOYYVROFMMFW-UHFFFAOYSA-N 404.498 6.364 0 40 HKAB CCCCc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1 2887559 WFCKRUJGBZCTAL-UHFFFAOYSA-N 413.974 5.781 0 40 HKAB Cc1cccc(NC(=O)c2ccc(OC(=S)N(CC(C)C)CC(C)C)cc2)c1C 3089380 QNYLMYXIBZCXBC-UHFFFAOYSA-N 412.599 5.833 0 40 HKAB CC(C)(C)c1ccc(OC(F)(F)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 3116798 INDHORPKAXHFCV-UHFFFAOYSA-N 403.347 5.493 0 40 HKAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(SC(F)F)cc3)cs2)c1 3215968 OPRXQUUKIDGWTN-UHFFFAOYSA-N 422.478 5.394 0 40 HKAB Cc1cccc(Nc2ccccc2C(=O)OCc2csc(-c3ccccc3)n2)c1C 3251672 AYPSONYBZCPECU-UHFFFAOYSA-N 414.530 6.528 0 40 HKAB Cc1ccc2c(COc3ncnc4c(Cl)cc(Cl)cc34)cc(=O)oc2c1C 3415080 GINCBDLWIGBRQW-UHFFFAOYSA-N 401.249 5.239 0 40 HKAB Cc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)cc2)c2c(C)cccc2C)cc1 3529780 GNFJEVYNQCNXTD-UHFFFAOYSA-N 415.537 5.004 0 40 HKAB COc1ccccc1-n1cc(-c2ccccc2)c2c(S[C@H](C)C(C)=O)ncnc21 3658728 ZMNSHCLMVUOYMW-MRXNPFEDSA-N 403.507 5.166 0 40 HKAB Cc1ccc(C2=NN(c3nc(-c4ccc(C)cc4)cs3)[C@](O)(C(F)(F)F)C2)cc1 4478286 AKRGXFYHPNUJTA-HXUWFJFHSA-N 417.456 5.292 0 40 HKAB Cc1ccc(-c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc1C 4614522 LVOHKVHWLHLHBU-UHFFFAOYSA-N 410.561 6.217 0 40 HKAB Cc1cccc2c1N(C)C(=O)C2(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12 4660211 LYROXPXZYIUUFM-UHFFFAOYSA-N 419.528 5.885 0 40 HKAB Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2)cc1 4661044 METDTICNCWBEDZ-RBBKRZOGSA-N 405.295 5.691 0 40 HKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N(C)C1CCCCC1 5027094 URIANYFCHDYZKF-AWEZNQCLSA-N 423.504 5.434 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)NCCC(c1ccccc1)c1ccccc1 5094737 DHJHVSUPQKWXTJ-OUMDNPPYSA-N 417.549 5.018 0 40 HKAB O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 5590824 FFJJGSQZEYEEEH-UHFFFAOYSA-N 414.452 5.351 0 40 HKAB S=C1[C@H](CCCOCc2ccccc2)[C@H]2CCC[C@@]23C[C@@]2(CCN13)OCCS2 5940660 JJZMKOGCLSJYJV-PRTQVNTJSA-N 417.640 5.035 0 40 HKAB Cc1ccc(-c2nc(C(=O)NC[C@H](O)c3ccccc3)cc3c2[nH]c2ccccc23)cc1 6173661 LFAMORDHUKNYRK-DEOSSOPVSA-N 421.500 5.155 0 40 HKAB biogenic C[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 6249662 KABPCEUOTTULPO-HMUBNZHRSA-N 405.607 6.241 0 40 HKAB Cc1ccccc1NC(=O)COC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 6504730 BAONYZORYBHXBM-UHFFFAOYSA-N 404.249 5.357 0 40 HKAB CCOc1ccc2c(c1)C(c1ccc(OCC(C)C)cc1)=NNC(c1cccs1)=N2 6601960 UNXVQPZCAUDAIX-UHFFFAOYSA-N 419.550 5.616 0 40 HKAB CCN(CC)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 6869545 VSXXOHYRFHCEOQ-UHFFFAOYSA-N 419.960 5.495 0 40 HKAB C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)c1nnc(-c2ccccc2)o1 7830909 SFOZJWWWLPAFPI-HNNXBMFYSA-N 418.522 5.415 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4C)C3)cc2)c1 7928019 JXNJGEBWVPSVAY-HXUWFJFHSA-N 414.505 5.396 0 40 HKAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 8071180 KPNLUQXJALCCKI-HNNXBMFYSA-N 402.951 5.088 0 40 HKAB Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NCc2ccc(F)cc2)C1 8636069 FLUHVXIQLHXSMJ-ISKFKSNPSA-N 403.545 5.954 0 40 HKAB biogenic,in-vitro COc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NCc4ccc(C(C)C)cc4)C3)c2C)cc1 8636093 DYBSPKAOCVEOAC-DNQXCXABSA-N 415.581 5.823 0 40 HKAB biogenic,in-vitro CC(C)n1ncc2c(C(=O)N(C)[C@H](C)c3nc4ccccc4s3)cc(C3CC3)nc21 9533964 OTMOQMUBWWCEII-CQSZACIVSA-N 419.554 5.333 0 40 HKAB Cc1cc2nc(-c3ccc(CNC(=O)CSc4ccccc4)cc3)oc2cc1C 10120384 UIMDAZKWGJCPNP-UHFFFAOYSA-N 402.519 5.520 0 40 HKAB O=C(CCSCc1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 10613233 QVNBWYNDZJRSQR-UHFFFAOYSA-N 409.938 5.833 0 40 HKAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 11585580 PCWXSTAPIJJDSL-SFHVURJKSA-N 422.941 5.626 0 40 HKAB CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)cc1)N(c1cc(C)on1)C3=O 11614383 UMDGPMUDKFXSRJ-FQEVSTJZSA-N 420.852 5.055 0 40 HKAB CC(C)c1ccc(Cn2c(-c3cccc(Br)c3)nc3ccccc32)cc1 12401737 DHNAHMAPFYLBPB-UHFFFAOYSA-N 405.339 6.638 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O 12438344 NUZYBGYRLCAZCB-JUXOCIIHSA-N 421.537 5.220 0 40 HKAB COc1ccccc1NC(=O)c1ccc(Nc2ncnc3sc(C)c(C)c23)cc1 12534450 XAJBYITVNIJCFN-UHFFFAOYSA-N 404.495 5.313 0 40 HKAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1Oc1ccccc1 12809672 UBNKPTQKPUVCQW-UHFFFAOYSA-N 415.276 5.154 0 40 HKAB COc1ccc(NC(C)=O)cc1NC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 12822308 OZMHQHOGQAPSIT-UHFFFAOYSA-N 409.511 5.153 0 40 HKAB Cc1ccc(Cl)cc1N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 13717021 BLFFTRGDXXZQPG-UHFFFAOYSA-N 418.968 5.519 0 40 HKAB Cc1ccc(C)c(OCCOc2cccc(/C=C3/N=C(c4ccccc4)OC3=O)c2)c1 13943649 MKEOSRKTKHBDPG-HAVVHWLPSA-N 413.473 5.106 0 40 HKAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)C1 14359249 YOOQLGGQTNWUOW-IYBDPMFKSA-N 423.354 5.782 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(NC(=O)[C@H](C)Oc3ccc(C(C)C)cc3)cc2)c1 14553216 MLDBQAWDWFERPO-IBGZPJMESA-N 416.521 5.777 0 40 HKAB CCSc1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 15882500 RAKCGLZSEDHZQR-UHFFFAOYSA-N 404.560 6.636 0 40 HKAB O=c1c(Cl)c(Nc2cccc(C(F)(F)F)c2)cnn1C12CC3CC(CC(C3)C1)C2 16399459 QHWVSBQRXHJIPB-UHFFFAOYSA-N 423.866 5.584 0 40 HKAB CC(C)/C=C(\CC(C)C)[C@H](CCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 16924579 LQBSZMAAJNMYFL-QZPFXSPMSA-N 406.570 6.289 0 40 HKAB CCN(CC)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(C(C)C)cc2)c(C)c1 17088346 JYCIEAGIBQIKBC-XNTDXEJSSA-N 409.599 5.491 0 40 HKAB O=C(C1CCC1)N1CCCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373032 NAUCXYZJGWCCRF-QFIPXVFZSA-N 413.525 5.136 0 40 HKAB COc1ccccc1-c1ccc(CN[C@@H](Cc2ccsc2)c2nccs2)cc1 19571692 KJKLBWMTSHFBBI-NRFANRHFSA-N 406.576 5.954 0 40 HKAB CCCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CCc1ccc(F)cc1)C3 20412298 PSRXZFQVDFSACU-UHFFFAOYSA-N 415.892 5.323 0 40 HKAB Cc1ccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 20868143 COAKSLPODVJFJI-XMMPIXPASA-N 413.477 5.046 0 40 HKAB O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)c1c(F)cccc1Cl 22766063 LQIRNQQRFRSOSE-HXUWFJFHSA-N 414.933 5.070 0 40 HKAB O=c1c2c3c(sc2ncn1Cc1csc(-c2ccccc2Cl)n1)CCCC3 24950440 BSVNVWCAZXOLIF-UHFFFAOYSA-N 413.955 5.162 0 40 HKAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN1Cc1coc(-c2cccs2)n1 26457927 PDQBNWAYAUZJKJ-MRXNPFEDSA-N 422.337 5.313 0 40 HKAB Cc1c(/C=C2\NC(=O)N=C2O)c2ccccc2n1Cc1ccc(Cl)cc1Cl 27827575 XJEWHRNGZGPSQV-MFOYZWKCSA-N 400.265 5.325 0 40 HKAB O=C(Nc1cccc(C2SCCCS2)c1)c1ccc(N2CCCCC2=O)cc1 31492706 OECDEJFADWPKFX-UHFFFAOYSA-N 412.580 5.325 0 40 HKAB COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1OCc1cccnc1 32832191 FLOCPWCQHXWUDW-UHFFFAOYSA-N 403.265 5.228 0 40 HKAB O=C1CCCC[C@H]1Sc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 32940054 OMELHYOWAWHXDJ-HXUWFJFHSA-N 422.941 5.673 0 40 HKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 33572047 VEOZJDBUYNVZJU-NTKDMRAZSA-N 416.521 5.282 0 40 HKAB CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 33743329 CBBTYFYDIIGNEG-HNNXBMFYSA-N 414.962 5.043 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)C(=O)CCC[C@]4(C)[C@H]3CC[C@@]21C 34294298 KTMRGGHFNOAMRH-ZLLXVZCVSA-N 402.663 6.792 0 40 HKAB CC(=O)c1cccc(NC(=O)[C@](C)(Cc2nc3ccccc3s2)c2ccccc2)c1 43765219 IMQAYHHBXJYFIQ-RUZDIDTESA-N 414.530 5.638 0 40 HKAB Cc1cccc(-c2csc3c(=O)n(Cc4cccc(C(F)(F)F)c4)cnc23)c1 44166794 AAOWLFDGOIRLIX-UHFFFAOYSA-N 400.425 5.501 0 40 HKAB O=C(c1cc(Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1)N1CCSCC1 44169738 BWPDIOKLGGLNQE-UHFFFAOYSA-N 418.349 5.474 0 40 HKAB CC[C@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(C)c(C)c1 44856529 WPSGNLHLEXWTMX-QHCPKHFHSA-N 416.968 5.575 0 40 HKAB O=C(c1ccc(Oc2ccc(Br)cc2)nc1)N(Cc1ccco1)C1CC1 44980612 OOCUUDUZKYDACZ-UHFFFAOYSA-N 413.271 5.034 0 40 HKAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 45344144 PMARSLBCOHBYRV-UHFFFAOYSA-N 410.452 5.558 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(C)ccc2F)c(C)c1 67297315 HOZUBMSPDRFTQA-FVDSYPCUSA-N 400.453 5.982 0 40 HKAB CC(=O)Nc1ccc(Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1 67322068 WXZDIXYVZNPMMR-UHFFFAOYSA-N 402.317 5.583 0 40 HKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 106373384 JITFEIRCSJSAIL-UHFFFAOYSA-N 408.929 5.895 0 40 HKAB O=C1S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccccc1F 214357949 ZOWTWXRUQQNVND-HYARGMPZSA-N 419.477 5.641 0 40 HKAB O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1ccccc1Br 214962625 IFRQBDABNSGHOY-YIERNNEGSA-N 400.297 5.242 0 40 HKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 223244919 ACCUEEXIJWMTTH-PKTZIBPZSA-N 423.553 5.150 0 40 HKAB CCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1OC 223684004 RUDXJRBVDHABLL-UHFFFAOYSA-N 417.914 5.504 0 40 HKAB COc1ccc(CCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1C 224208975 VSHNHVVIVVPVOC-UHFFFAOYSA-N 412.382 5.293 0 40 HKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C1CC1 224425329 RXKWETVMYAKICF-YADHBBJMSA-N 406.530 5.151 0 40 HKAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](CC)C(=O)NC1CCCCC1 225246866 VVAJRIMYCWDXNL-LJQANCHMSA-N 413.389 5.350 0 40 HKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC)c(C(F)(F)F)c1 225844407 OKLKJWRMQZRQRE-UHFFFAOYSA-N 417.512 6.300 0 40 HKAB CC(C)[C@@H]1CC[C@]2(CO)CC[C@@H]3[C@H](CC[C@@H]4[C@@]3(C)CC[C@@H]3[C@@H](C)[C@H](O)CC[C@@]34C)[C@H]12 253609780 QJWYZJIICBEFDU-ZREGQJFSSA-N 416.690 6.297 0 40 HKAB Cc1c(Cl)cccc1NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408677718 RAYWZZHXHSSBBG-UHFFFAOYSA-N 406.844 5.529 0 40 HKAB Cc1cccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)c1C 409005908 GZQFINFMWLUKQE-UHFFFAOYSA-N 419.506 5.149 0 40 HKAB Clc1cc(CNc2ccccc2)cc(Cl)c1OCc1cccc2ccccc12 409121617 XDCRDYWFKSZAQH-UHFFFAOYSA-N 408.328 7.338 0 40 HKAB Cc1ccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)Cc2ccccc2O)cc1 585105797 NYMCGOWIRPHXKN-UHFFFAOYSA-N 413.517 5.005 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)c2cccs2)c1 917745 QOBMMPNEDZQKTB-UHFFFAOYSA-N 421.305 5.325 0 40 HKAB CC[C@H](C)OC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 957142 LAOLKFZLBLZEPC-DLBZAZTESA-N 410.466 5.311 0 40 HKAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1cccc(Cl)c1 976815 DGPBFQUEPTUZBT-UHFFFAOYSA-N 411.939 5.743 0 40 HKAB c1ccc(COc2ccc(Oc3ncnc4sc5c(c34)CCCCC5)cc2)cc1 1895258 SRWQFXKMQYMAOO-UHFFFAOYSA-N 402.519 6.332 0 40 HKAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2cccs2)N1c1ccc(Cl)cc1 2189050 XXLLDOLPZPSGMX-HXUWFJFHSA-N 416.333 5.983 0 40 HKAB Cc1ccc(-n2c(SCCC(C)C)nc3sc4c(c3c2=O)CCCCC4)cc1 2271737 HVNKVQUZGIABNK-UHFFFAOYSA-N 412.624 6.163 0 40 HKAB CCOc1ccc(-c2nnc(SCc3c(C)noc3C)n2-c2ccccc2F)cc1 2663202 XDEKWGVPQQSREH-UHFFFAOYSA-N 424.501 5.369 0 40 HKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1 2742432 ZUKQJBGUHAANAU-UHFFFAOYSA-N 405.910 5.563 0 40 HKAB Cc1cccc(NCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)c1 2887612 ZPDZNLQACSELDV-UHFFFAOYSA-N 406.338 5.400 0 40 HKAB O=S(=O)(c1ccc(Cl)cc1Cl)N1CC=C(c2ccc(Cl)cc2)CC1 3131396 AGKWNPKLVFKIPD-UHFFFAOYSA-N 402.730 5.125 0 40 HKAB COc1ccc(OCCSc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1 3378172 MIFSBIFZITWFHS-UHFFFAOYSA-N 406.482 5.616 0 40 HKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl 3438379 VNLQIAIAONRXLW-UHFFFAOYSA-N 415.896 5.532 0 40 HKAB CCOc1ccc2c(c1)[C@H](OC(C)=O)C(C)(C)[C@@H](c1ccc(Br)cc1)N2 3644665 JTMJWQFQFQGGFK-UXHICEINSA-N 418.331 5.645 0 40 HKAB COc1ccc(-c2c(NC(=O)c3ccccc3)sc3ccccc3c2=O)cc1OC 5203971 FSIKCTPQEVFAAM-UHFFFAOYSA-N 417.486 5.198 0 40 HKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc(C)nc3sc4c(c23)CCCC4)c1C 5212791 JKDRITUEJSHCMA-UHFFFAOYSA-N 413.568 5.001 0 40 HKAB Cc1ccc(-c2nc(CSc3nnc(-c4cccs4)n3C3CC3)cs2)cc1 5359102 NIKAGVZBQDLGRN-UHFFFAOYSA-N 410.593 6.066 0 40 HKAB CCc1nc(C)cn1[P@](=O)(Oc1ccccc1)OC1CC(C)(C)N(O)C(C)(C)C1 5502417 VXWUJDLRHASQPI-LJAQVGFWSA-N 421.478 5.217 0 40 HKAB CC[C@H](OC(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1)C(=O)c1ccccc1 5875142 SYCFTXXLGNVWEF-QFIPXVFZSA-N 401.462 5.066 0 40 HKAB Cc1sc2ncnc(S[C@@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)c2c1C 5902417 RZEADDFWFSQWBG-NSHDSACASA-N 402.570 5.076 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccccc4)c3)nc2c1 6449735 BQMFQZMICHNDCS-KRWDZBQOSA-N 400.478 6.026 0 40 HKAB CCOc1ccc(Nc2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn23)cc1 7572461 MPODYFBBTCNTCO-UHFFFAOYSA-N 418.497 5.173 0 40 HKAB c1ccc(-c2nn(-c3ccccc3)c3c2[C@H](c2ccncc2)Nc2ccccc2N3)cc1 7778751 AOEYHAGSWGGSRT-VWLOTQADSA-N 415.500 6.193 0 40 HKAB COc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccc(F)cc1Cl 8471754 FCXUSQWOFRKAHR-UHFFFAOYSA-N 403.856 5.496 0 40 HKAB Cc1cccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2cccc(Cl)c2)c1C 8476599 LPHKODDSZSXDBO-UHFFFAOYSA-N 416.912 5.135 0 40 HKAB Nc1c(C(=O)Nc2cccc(Cl)c2Cl)sc2nc(-c3cccnc3)ccc12 8680020 VQCWTUKUGCALAY-UHFFFAOYSA-N 415.305 5.500 0 40 HKAB Cc1nc(-c2cccc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)c2)cs1 9376569 XRFUQIPICKGRBE-UHFFFAOYSA-N 420.538 5.001 0 40 HKAB CC(C)c1ccc(Cn2c(COc3ccc4ccccc4c3)nc3ccccc32)cc1 12401734 STKUYGAIWROXEA-UHFFFAOYSA-N 406.529 6.940 0 40 HKAB O=C(NCc1ccccc1Cn1ccnc1)[C@@H](Sc1ccccc1)c1ccccc1 12535498 ABJZXMIUMKWCCK-DEOSSOPVSA-N 413.546 5.081 0 40 HKAB Cc1ccc(Nc2nnc(SCC(=O)C34CC5CC(CC(C5)C3)C4)s2)c(C)c1 12619366 PNGWDRVTFFFNTN-UHFFFAOYSA-N 413.612 5.776 0 40 HKAB O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1nc2ccccc2s1 12620422 MAJDJXQDKYPECP-NFAYLAGKSA-N 405.361 5.359 0 40 HKAB Cc1nc(-c2cccc(NC(=O)c3ccccc3C(=O)c3cccs3)c2)cs1 12811925 FSTIZFVLNSBXFC-UHFFFAOYSA-N 404.516 5.663 0 40 HKAB CC(C)c1ccc(-c2nc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)cs2)cc1 12821721 HPZKRYMTMXCPSD-UHFFFAOYSA-N 405.523 5.078 0 40 HKAB C[C@H](c1ccccc1)N1CCn2c(nc3cc(NC(=O)c4ccc(F)cc4)ccc32)C1 13483458 TZERBKSHEIJEJO-QGZVFWFLSA-N 414.484 5.005 0 40 HKAB CC(C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 13999425 QRKOFRGAZMUAHG-IBGZPJMESA-N 416.521 5.319 0 40 HKAB Cc1cc2sc(NC(=S)NC(=O)/C=C/c3ccc(Cl)cc3)nc2cc1Cl 16284233 FQGVZOURUQNUKU-QPJJXVBHSA-N 422.362 5.438 0 40 HKAB Fc1ccc(CCNCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 16525934 CDYVKOSDZWPVBD-UHFFFAOYSA-N 419.927 6.544 0 40 HKAB CCc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc4ccccc34)cs2)cc1 17091186 GYONIZPLDQYDKH-UHFFFAOYSA-N 417.559 5.653 0 40 HKAB CCCn1c(=N)n(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccc21 19900970 DBGHZDXMXOFWBW-UHFFFAOYSA-N 421.585 5.516 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)/C=C/c3ccc(Cl)cc3)c2)cc1 20040239 QOCWGMQXOOGEIZ-CXUHLZMHSA-N 417.936 6.520 0 40 HKAB COc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1OC 20050536 DISRFOYZJNKWJR-KRWDZBQOSA-N 407.535 5.487 0 40 HKAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)c1 20143613 MNNZNFWVLVWLCG-UHFFFAOYSA-N 419.820 5.064 0 40 HKAB O=C(CSCc1ccccc1Br)Nc1ccccc1C(F)(F)F 20238214 JTRIBHLZMVVXKF-UHFFFAOYSA-N 404.251 5.340 0 40 HKAB Cc1cc(NC(=O)c2ccc3c(c2)CCCC3)n(-c2nc3ccc(F)cc3s2)n1 21685033 OALSNNRRJPACTA-UHFFFAOYSA-N 406.486 5.061 0 40 HKAB CC(C)c1ccc([C@@H](NC(=O)[C@H]2CC(=O)Nc3ccccc32)c2cccs2)cc1 25001951 IWCONECJHOXCCZ-WMZHIEFXSA-N 404.535 5.203 0 40 HKAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)Nc1ccccc1C(F)(F)F 27921897 MBKLXDOSJSFPCR-UHFFFAOYSA-N 406.383 5.350 0 40 HKAB CCCCN1C(=O)COc2ccc(NC(=O)c3sc4ccccc4c3Cl)cc21 32593576 SQYSZZMNURNMKC-UHFFFAOYSA-N 414.914 5.333 0 40 HKAB CCCCOc1ccc(NC(=O)c2oc3ccc(Cl)cc3c2C)c2cccnc12 32622552 MMSLYBNZYDZCIT-UHFFFAOYSA-N 408.885 6.374 0 40 HKAB CC(C)c1nc(SCC(=O)Nc2ccccc2Br)c2ccccc2n1 35290900 XTERKZWSOSPMOL-UHFFFAOYSA-N 416.344 5.247 0 40 HKAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2ccc(C(F)(F)F)cc2)c1OC 36353095 ITMHWYJEKQCODR-OAHLLOKOSA-N 417.387 5.032 0 40 HKAB Cc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccc(F)cc1 40396942 GJQKMVLZFMXSTE-AUSJPIAWSA-N 404.489 5.156 0 40 HKAB CSc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46079032 WXDNFDCQDLBDGH-UHFFFAOYSA-N 420.509 5.393 0 40 HKAB C[C@@]1(N2CCCCC2)C(=O)c2cc(Br)ccc2O[C@@H]1c1ccccc1 55125048 SOUITRDHKQNZDX-NHCUHLMSSA-N 400.316 5.010 0 40 HKAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(c2nc3ccccc3s2)CC1 57573843 RITDZGYGICOCNH-UHFFFAOYSA-N 405.445 5.727 0 40 HKAB Cc1ncsc1C(=O)N1CCC(c2cccc(Cc3ccccc3Cl)n2)CC1 72349864 HALDJXBLCAAUCX-UHFFFAOYSA-N 411.958 5.111 0 40 HKAB CCCCN(C)C(=O)c1cnc(-c2noc3cc(N4CCC(C)CC4)ccc23)s1 96266604 FTCSBQZKUIJXDL-UHFFFAOYSA-N 412.559 5.060 0 40 HKAB COc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1C 214819541 PRUUIRRHRODBGS-RQZCQDPDSA-N 408.306 5.547 0 40 HKAB COc1cc(C)c([C@H](C)NC(=O)CSCc2ccc(Cl)cc2)cc1C(C)C 223268570 LQNIOZNZFIUBCD-INIZCTEOSA-N 405.991 5.891 0 40 HKAB CCCC[C@H](CC)CNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 223419945 YSDSQJDFWLJGSU-DFBJGRDBSA-N 424.610 5.407 0 40 HKAB CC(C)(C)c1ccccc1OCCNC(=O)c1cccc(OCc2ccccc2)c1 223705380 OHICQBXSTOOXFT-UHFFFAOYSA-N 403.522 5.372 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccccc1C(C)C 224227835 IMLPYCFFFFSSGM-UHFFFAOYSA-N 403.522 6.267 0 40 HKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 224585664 FDBUJRXOEXCFAF-GOTSBHOMSA-N 418.566 5.184 0 40 HKAB CCOc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COCC(C)C 224740283 ONMYFVDXAKUYKS-UHFFFAOYSA-N 409.570 5.353 0 40 HKAB CC[C@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(OC)cc1 225488794 QTOHKTMVIAOUJN-INIZCTEOSA-N 413.768 5.549 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)C2CCN(Cc3cccc(C)c3)CC2)c2ccccc2O1 225505193 QDYOFQDVVTXAIC-XMMPIXPASA-N 420.597 5.406 0 40 HKAB CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(OC)c(C(C)C)c2)c2ccccc2O1 225864690 LKZXHRNEYZJQPT-FQEVSTJZSA-N 417.571 5.180 0 40 HKAB O=C(O)c1ccc(CN(C(=O)c2ccc3nc(Cl)sc3c2)C2CCCCC2)o1 225980760 QYKYZZUXHBPYAE-UHFFFAOYSA-N 418.902 5.216 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3cc(N)ccc3Cl)o2)c(Br)c1 226764511 VSVMSWCJQCBFOL-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB CC(C)[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO[C@@H]1c1ccccc1Cl 257239628 HQDSIAGYAOXFOS-UYAOXDASSA-N 407.982 6.091 0 40 HKAB CCOc1cc(COc2ccc(Cl)cc2C(=O)O)ccc1OCc1ccccc1 408540106 NCDHQUNBQVIZIV-UHFFFAOYSA-N 412.869 5.595 0 40 HKAB CCc1s/c(=N\C(=O)c2ccccc2C)n(CC)c1-c1ccc(Cl)c(Cl)c1 408562914 SGKDNRFQIJCOTK-FLFQWRMESA-N 419.377 6.155 0 40 HKAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)/C(=C/c1ccccc1)c1ccccc1 408577187 XBDLYQKPIHUNLB-NJNXFGOHSA-N 424.544 5.882 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccc(C)c(C)c2)cc1 408699802 ZJVKAWQCIKEETK-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB CCc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(C)c3C)n2)cc1 408700240 ZYABWTSZZLIMHL-UHFFFAOYSA-N 410.521 5.674 0 40 HKAB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccccc2C(C)C)o1 409166122 CQLPEPXNZPJZIK-UHFFFAOYSA-N 411.527 5.120 0 40 HKAB Fc1ccccc1COc1ccc(CNc2ccc(Br)cc2)cc1Cl 409205713 JNZDMDBLMREVRW-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB CCCc1nc(Cc2ccc(F)cc2Cl)c(C(=O)O)cc1-c1cccc(Cl)c1 585265408 ODYJLZHUUMTMQD-UHFFFAOYSA-N 418.295 6.436 0 40 HKAB CCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(COc2cccc(C)c2C)n1 585266022 ZJYKQJXYODPRCW-UHFFFAOYSA-N 411.885 5.695 0 40 HKAB Cc1nc(CN2CCC3(CC2)CO[C@@H](c2ccc(F)cc2)[C@H](C(C)C)C3)cs1 1615527933 KNVPMQNXBRDNFC-VXKWHMMOSA-N 402.579 5.607 0 40 HKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)/C(=C/c3ccccc3Cl)C[C@@H]12 1889130370 YMHMUKZSUKEOTI-OZJBKCOKSA-N 415.017 6.098 0 40 HKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(C(F)(F)F)cc4)c(N)c3cc2C1 661812 PGPHKLOTTKXGBR-LLVKDONJSA-N 419.472 5.665 0 40 HKAB Cc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)c2c(C)c(C)sc2n1 1333007 RHRPBEOYJGFLCC-UHFFFAOYSA-N 411.474 5.366 0 40 HKAB CC(=O)c1cccc(NC(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c23)c1 1377384 WPSPBTIYPXLFJE-UHFFFAOYSA-N 411.552 5.119 0 40 HKAB COc1ccc(COc2ccsc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 1400567 XKNVDTHKIGDHBO-UHFFFAOYSA-N 407.413 5.607 0 40 HKAB CCCc1ccc(OCCCC(=O)Nc2nc(-c3ccc(OCC)cc3)cs2)cc1 1787225 RJVWIKMFELWDII-UHFFFAOYSA-N 424.566 5.959 0 40 HKAB CCCCCC(=O)Nc1scc(-c2ccc(OC)c(OC)c2)c1C(=O)OCC 1875113 IXBFOJVWJHEGFO-UHFFFAOYSA-N 405.516 5.128 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3o2)cc1C 2029447 DTXJKUZICAETJN-UHFFFAOYSA-N 411.288 6.671 0 40 HKAB Cc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3)nc3ccccc23)c(C)c1 2074070 PWYNIKOGHRCBRH-UHFFFAOYSA-N 413.546 5.953 0 40 HKAB Cc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc4ccccc34)c2c1 2079816 OTLQRHXDLFBQBP-UHFFFAOYSA-N 402.497 6.924 0 40 HKAB CCn1c(NC(=O)C2CCCCC2)c(-c2ccccc2Cl)c(=O)c2ccccc21 2334405 HARCBPORGYYJNJ-UHFFFAOYSA-N 408.929 5.861 0 40 HKAB CCCSc1nc(NCc2ccco2)c2c3c(sc2n1)CO[C@](C)(CC)C3 2345839 HQRVPSCUQVNLJX-HXUWFJFHSA-N 403.573 5.640 0 40 HKAB COC(=O)CSCc1csc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1 2387774 SIFSOHIABACZRB-UHFFFAOYSA-N 416.273 5.542 0 40 HKAB O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1cccnc1Cl 2439463 WUDUASKRHJJUEE-UHFFFAOYSA-N 418.667 6.102 0 40 HKAB Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C)C(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 2657550 CHNADGBZHOZAEU-SFHVURJKSA-N 404.510 5.215 0 40 HKAB CCCOc1ccc(-c2csc(NC(=O)c3cccs3)c2C(=O)OC)cc1 2889639 ZOUCHCSHGVUCCY-UHFFFAOYSA-N 401.509 5.304 0 40 HKAB FC(F)(F)c1cnc(-n2ccc3cc(OCc4ccccc4)ccc32)c(Cl)c1 3048694 QXFZHGIVGKANGZ-UHFFFAOYSA-N 402.803 6.277 0 40 HKAB O=C(C[C@@H](Nc1cccc(Br)c1)c1ccc(Cl)cc1)c1ccccc1 3168619 FFHNDKQJAAEKMB-HXUWFJFHSA-N 414.730 6.529 0 40 HKAB CC(C)(C)C(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 3251628 DXARLYFDPXSKGW-UHFFFAOYSA-N 412.580 5.033 0 40 HKAB CCOc1ccc(NC(=O)Cn2cc(C(=O)C3CCCCC3)c3ccccc32)cc1 3655917 SQWXRZLKOMYQCS-UHFFFAOYSA-N 404.510 5.442 0 40 HKAB Cc1ccc(-c2cc3nc(-c4ccc(Cl)c(Cl)c4)cc(C(F)(F)F)n3n2)cc1 3765213 MDDUZQZSSMQMOY-UHFFFAOYSA-N 422.237 6.697 0 40 HKAB CC(C)Cn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nc2ccccc21 4265212 WNNPAYRFLBSGBO-UHFFFAOYSA-N 408.354 5.730 0 40 HKAB Cc1cc(C)c(C)c(Cn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1C 4386037 IFNNDMSNILQIRJ-FQEVSTJZSA-N 403.570 5.433 0 40 HKAB O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 4677344 WVTKERJKDMYADC-KLOKCGCJSA-N 406.869 5.963 0 40 HKAB Clc1ccc(/C=C/c2nc3ccccc3nc2OCc2ccccc2)c(Cl)c1 4720946 BMDSKPMHAYPYNM-ACCUITESSA-N 407.300 6.686 0 40 HKAB c1ccc([C@@H]2C3=C(CCCC3)N3c4cccc5cccc(c45)N[C@@]34CCCC[C@H]24)cc1 4729377 ZHJYKRIIBOWYNF-LFOKJVLGSA-N 406.573 7.584 0 40 HKAB CCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(C)cc3)cc12 4735826 ZEKJKPLTXSFHKF-UHFFFAOYSA-N 415.511 5.116 0 40 HKAB Cc1cc(OCC(=O)Nc2nc3ccccc3s2)c(C)c(C)c1Br 4834291 CTCBLXUHQVNLOZ-UHFFFAOYSA-N 405.317 5.002 0 40 HKAB CC(=O)O[C@@H](C(=O)N1c2ccc(C)cc2[C@@H](c2ccccc2)C[C@H]1C)c1ccccc1 4873071 ROAYLNQSSLPWTL-GVCORALISA-N 413.517 5.557 0 40 HKAB CC1(C)C[C@@](CCNC(=O)c2ncoc2-c2cccs2)(Cc2ccccc2)CCO1 5001955 KQHVLLOOOYQELD-XMMPIXPASA-N 424.566 5.341 0 40 HKAB CC[C@@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(C)cc1 6172306 AZWQQBIQGUJTFO-QGZVFWFLSA-N 401.919 5.058 0 40 HKAB CCCCOc1ccc(C2=NNC(c3ccncc3)=Nc3c2ccc2ccccc32)cc1 6480995 FUNVEKGWNVBQQF-UHFFFAOYSA-N 420.516 5.848 0 40 HKAB COc1ccc(C)cc1NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O 6623842 ZMORJPKSJKPXDQ-UHFFFAOYSA-N 419.477 5.271 0 40 HKAB biogenic COc1cccc(NC(=O)[C@@H](Nc2ccc3nc(C)sc3c2)c2ccccc2)c1 7241955 RNKYRLWIIQXUGG-QFIPXVFZSA-N 403.507 5.405 0 40 HKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1Cl 7881776 OPNPAFXTNGGEEW-KRWDZBQOSA-N 420.896 5.432 0 40 HKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 8086449 CDRJRVMGTSGYFI-CQSZACIVSA-N 400.931 5.123 0 40 HKAB CCC[C@H](NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C(C)C)c1ccccc1 8573576 IXTWEZISYZSHMX-PXNSSMCTSA-N 423.582 5.116 0 40 HKAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)CCc1c[nH]c2ccccc12 8649762 YNYHURFCBXDBLA-UHFFFAOYSA-N 406.526 5.529 0 40 HKAB COc1ccc(Oc2c(C)n[nH]c2-c2ccc(OCc3ccccc3F)cc2O)cc1 8856434 GBOTZLORXIKNTO-UHFFFAOYSA-N 420.440 5.610 0 40 HKAB Cc1cc(C)c(C)c(Cn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c1C 11667377 SQOWNXJLDXJSOZ-LJQANCHMSA-N 401.510 5.402 0 40 HKAB Cc1cc2oc(=O)c(C)c(C)c2c2c1C(=O)C[C@H](c1ccc(Br)cc1)O2 11867459 VPIMUBYWAXPFRG-MRXNPFEDSA-N 413.267 5.187 0 40 HKAB Cc1sc(NC(=O)c2ccc3c(c2)OCCO3)c(-c2nc3ccccc3s2)c1C 12361201 CTVRUUBOMUVDIP-UHFFFAOYSA-N 422.531 5.665 0 40 HKAB CC(C)[C@H]1O[C@@H](c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)OCC1(C)C 12401261 DASMUCALWSLXOE-CTNGQTDRSA-N 421.459 6.054 0 40 HKAB COc1ccc(C(=O)Oc2c(C)c(C)c(O)c(C)c2Cc2nc3ccccc3[nH]2)cc1 12538461 NSUSRLWQVVKLCQ-UHFFFAOYSA-N 416.477 5.012 0 40 HKAB COc1cccc2c1O[C@H](c1ccc(C(F)(F)F)cc1)N1N=C(c3ccccc3)C[C@H]21 12555805 VPMLCAPXNLPIKP-NFBKMPQASA-N 424.422 5.956 0 40 HKAB Cc1ccc(Oc2ccccc2NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 12600117 BXOLJAFMWWLPLB-KRWDZBQOSA-N 420.896 5.432 0 40 HKAB Cc1c(Cl)ccc2sc(N(Cc3ccco3)C(=O)c3cccc(F)c3)nc12 13037069 PDDSPWVKIQZQHO-UHFFFAOYSA-N 400.862 5.837 0 40 HKAB CC[C@H](C)n1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)C)nc2ccccc2c1=O 16798777 CQMPHSCUWZCHMQ-IRXDYDNUSA-N 423.582 5.610 0 40 HKAB O=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)N1CCc2ccccc2C1 16848930 IUVLSXDUZMLWKH-UHFFFAOYSA-N 421.953 5.234 0 40 HKAB COc1c(C)cccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(C)cc(C)c3o2)c1 17092479 WGSSSECYQQXYSN-UHFFFAOYSA-N 420.896 6.334 0 40 HKAB COc1ccc([C@@H]2SCC(=O)N2c2ccccc2Oc2ccccc2)cc1OC 17198442 IUABJYOAJDUYBJ-QHCPKHFHSA-N 407.491 5.275 0 40 HKAB CC(C)(C)n1nnnc1[C@H](c1cccs1)N(Cc1ccccc1)Cc1cccs1 20098742 BDNWOZSOSSNPIR-FQEVSTJZSA-N 423.611 5.343 0 40 HKAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(Br)cc1 20138299 LTTUWMMIVFLFOG-UHFFFAOYSA-N 406.663 5.107 0 40 HKAB CCN(CC)CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 22075828 ALUFWQHKXCZSCG-UHFFFAOYSA-N 415.792 5.657 0 40 HKAB C[C@H](Sc1nc2ccccc2o1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 23551871 HRHLXTKSUBEORU-LBPRGKRZSA-N 405.504 5.646 0 40 HKAB Clc1ccc(-c2nnc(CN3CCCC[C@@H]3c3nc4ccccc4s3)o2)cc1 23968217 YCDYDLINQPCAPP-QGZVFWFLSA-N 410.930 5.727 0 40 HKAB CN(C)[C@@H](CNC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccsc1 25813517 MYKSAWXRIGISTK-NRFANRHFSA-N 417.534 5.103 0 40 HKAB Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)N2CCCCCC2)cc1 27584086 SOCGWJRSOLKLDT-QHCPKHFHSA-N 414.977 5.069 0 40 HKAB Cc1noc(C(C)C)c1C(=O)NCCCCOc1ccc(OCc2ccccc2)cc1 29688165 BNGKTHSTZGDWRM-UHFFFAOYSA-N 422.525 5.274 0 40 HKAB CCOC(=O)c1cc(NC(=O)c2ccccc2OCc2ccccc2)ccc1Cl 30861030 WIVAOJDLFXPOPO-UHFFFAOYSA-N 409.869 5.348 0 40 HKAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1cc(Cl)ccc1Cl 32096098 FBYRPSYEWXCBFV-UHFFFAOYSA-N 414.248 5.458 0 40 HKAB COc1ccc(Oc2ncccc2NC(=O)COc2cccc3ccccc23)cc1 32915370 ZENXRTPFVUFGHB-UHFFFAOYSA-N 400.434 5.053 0 40 HKAB O=C(NCc1cccc(C(F)(F)F)c1)c1sc2ncccc2c1-n1cccc1 33171370 QECZWKNNFDSIRS-UHFFFAOYSA-N 401.413 5.036 0 40 HKAB CSc1ccc([C@@H]2Nc3ccc4ccccc4c3[C@@H]3CC(C)(C)CC(=O)[C@H]32)cc1 39380653 GONTXJAEPHIUGB-OPXMRZJTSA-N 401.575 6.817 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1 39744527 JPYMMEJPXNSGGT-UHFFFAOYSA-N 420.553 5.828 0 40 HKAB Cc1nn2c(nnc3c(=O)n([C@@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40395990 JDADACFPPUPSLB-SUNYJGFJSA-N 421.932 5.065 0 40 HKAB Cc1nc(NCc2ccccc2Cl)sc1C(=O)NCc1ccccc1Cl 41128147 SZGFWNJPUUJIEM-UHFFFAOYSA-N 406.338 5.300 0 40 HKAB CCCOc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 44883211 GLARIHHUEAEJEH-UHFFFAOYSA-N 415.533 6.256 0 40 HKAB CNc1nc2c(s1)[C@@H](c1cccc(OC)c1OCc1ccc(F)cc1)CC(O)=N2 49544848 GULIQLPGQWRXBM-OAHLLOKOSA-N 413.474 5.035 0 40 HKAB Cc1nn(C)c2c1[C@@H](c1cccc(OCc3ccccc3Cl)c1)SCC(O)=N2 49545117 IQQYRLJZBTWYLM-HXUWFJFHSA-N 413.930 5.385 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 59289891 UXIRABSEMHHDAT-UHFFFAOYSA-N 422.912 5.066 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(-c3ccccc3)nc2c1 59477600 WBOYOSPQURXYDL-DTQAZKPQSA-N 406.441 6.407 0 40 HKAB Cc1ccccc1C(=O)Nc1ccc2nc(SCc3ccccc3Cl)sc2c1 59855317 IDUAXJGHJPXPFH-UHFFFAOYSA-N 424.978 6.803 0 40 HKAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12 95477396 QLEBNOVJVNUCOA-HXUWFJFHSA-N 405.929 5.156 0 40 HKAB COc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3nc4ccccc4n32)cc1OC 101218862 AAKYOPXWNBSLNR-PZJWPPBQSA-N 403.457 5.339 0 40 HKAB COC1(OC)[C@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H]1[C@@H]3CC[C@H](c4ccccc43)[C@H]12 104282991 DALTUKWWYJSZDX-HOYWYFTBSA-N 420.163 5.554 0 40 HKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)N[C@@H]1CCC[C@H](C(F)(F)F)C1 105564143 TYSBSPPWMGVOLY-JGKCQHDJSA-N 422.329 5.348 0 40 HKAB Cc1ccccc1Nc1nnc(S[C@H](C)C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)s1 195529870 JJZMJOSCJCSROZ-JWDQPFGJSA-N 404.605 5.012 0 40 HKAB CCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 223049335 HFXMKVHNSKNXQH-VWLOTQADSA-N 418.581 5.043 0 40 HKAB COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccc(Cl)c(C)c1 224203346 ZMTAJQODFUGJKF-UHFFFAOYSA-N 409.913 6.105 0 40 HKAB Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c1 225010353 RWVKWMDSOFCFQL-PKTZIBPZSA-N 402.567 5.096 0 40 HKAB CCOC(=O)c1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)c(C)c1 225864701 NCVRJZSUQJJSRQ-UHFFFAOYSA-N 416.974 5.581 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)cc4)ccc3o2)c(C)c1 408622647 QGUYNHOHYNRGQS-WUXMJOGZSA-N 402.881 6.417 0 40 HKAB CC[C@@H](C)c1ccccc1OC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408662138 MQVHYSNNEMHWQK-KGLIPLIRSA-N 406.309 5.465 0 40 HKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(Cl)ccc3C)n2)c(C)c1 408694607 KUIOBOTYJIQJLN-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB CCCCCOc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 408762619 LLIPLFOIMNSEHN-UYRXBGFRSA-N 414.299 5.363 0 40 HKAB CCCN1C(=O)/C(=C\c2cc(Br)c(OC)c(OCC)c2)c2ccccc21 409114496 HTERLWKGHPNOMX-WJDWOHSUSA-N 416.315 5.154 0 40 HKAB O=C(c1cc2ccccc2[nH]1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 2037846230 NAWLLSVMXVJIBC-QFIPXVFZSA-N 403.457 5.253 0 40 HKAB CC(=O)c1c2c(cc3c1C[C@]1(C3)Cc3cc4c(c(C(=O)O)c3C1)CCCC4)CCCC2 1855346 BHRSSBHSPBPIBW-NDEPHWFRSA-N 414.545 5.229 0 40 HKAB Cc1cccc(C(=O)Oc2ccc(/C=C3/N=C(c4ccccc4Cl)OC3=O)cc2)c1 2052036 VGIIVSXCHSMVPD-KGENOOAVSA-N 417.848 5.212 0 40 HKAB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 2188757 CCJLHKIVXBKUIK-MHZLTWQESA-N 420.512 6.345 0 40 HKAB OCCNc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccccc1 2260060 ZMEBEMLDVSRXPK-UHFFFAOYSA-N 420.516 5.218 0 40 HKAB O=C(Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)Nc1cccc(Cl)c1 2378289 ASIIOGZHCMSESG-UHFFFAOYSA-N 424.287 5.009 0 40 HKAB Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccccc3)sc2c1 2444002 RMWUCLFFFVHHTP-NRFANRHFSA-N 424.481 5.461 0 40 HKAB C[C@H]1CCc2c(sc3nc([C@H](C)SCc4cccc5ccccc45)[nH]c(=O)c23)C1 2655146 CUWQWWNIFYSQNF-GJZGRUSLSA-N 420.603 6.257 0 40 HKAB COc1cc2c3nnc(-c4ccc(C)cc4)c-3cn(Cc3cccc(C)c3)c2cc1OC 2691943 MVONWRFOXDDZQA-UHFFFAOYSA-N 423.516 5.885 0 40 HKAB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3cc(Cl)cc(Cl)c3)n2)cc1C 2733257 HAFJDVWDWAAYEH-UHFFFAOYSA-N 421.371 7.747 0 40 HKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)nc1n2CCCCC1 3236600 DVPIVUGZQPADEG-UHFFFAOYSA-N 404.297 5.087 0 40 HKAB CCOC(=O)CCCSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 3425363 XVWIIAVTHXKMAO-UHFFFAOYSA-N 401.919 5.023 0 40 HKAB CCCCNc1nnc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)s1 3433575 QYOJPNDDTUNHQX-UHFFFAOYSA-N 424.901 5.153 0 40 HKAB Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)c1 4033535 OQRBWGHQXSZPJE-JOCHJYFZSA-N 409.533 5.416 0 40 HKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)OC3CCCCC3)c2c1 4130053 SJFWBIHCXDDSDI-UHFFFAOYSA-N 424.541 5.966 0 40 HKAB Cc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 4281989 SPWYNCKZDQQITE-GHTZIAJQSA-N 409.283 5.593 0 40 HKAB CN(C(=O)OCc1ccccc1)[C@@H](CN1CCCC1)c1ccc(C(F)(F)F)cc1 4290029 UQEDWFQMSLBDKO-FQEVSTJZSA-N 406.448 5.111 0 40 HKAB Cc1ccc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)cc1Br 4406979 LCSUWCMFOUIPFV-UHFFFAOYSA-N 410.724 5.018 0 40 HKAB COc1ccc2ccccc2c1[C@H]1N=C(O)c2c(sc3c2CCN(C(C)C)C3)N1 4555315 XJHIDCNOMXITGT-NRFANRHFSA-N 407.539 5.105 0 40 HKAB COc1ccc([C@@]23c4ccccc4[C@]2(c2ccc(OC)cc2)c2ccc(OC)cc23)cc1 4747913 NQPUVLZZUVMTFE-WDYNHAJCSA-N 420.508 5.708 0 40 HKAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)cc1 4918986 BZEVHHQWYHZHNK-JKURPRQGSA-N 417.508 5.419 0 40 HKAB Cn1cc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c2ccccc21 5024576 WERHKCJQYFQOIE-XNTDXEJSSA-N 411.892 5.701 0 40 HKAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1CCc1cccs1 5193438 POIJUBCCUKPZHV-UHFFFAOYSA-N 413.524 5.027 0 40 HKAB Cc1cc(C(=O)CSc2nc(-c3ccncc3)n[nH]2)c(C)n1CCC1=CCCCC1 5531392 AFKPBXCECIVFRV-UHFFFAOYSA-N 421.570 5.151 0 40 HKAB COc1ccccc1-c1nnc(SCC(=O)c2ccccc2)n1C1CCCCC1 6140801 NKEKQPQVUWQPII-UHFFFAOYSA-N 407.539 5.434 0 40 HKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1ccc(C(C)C)cc1 6233496 ZFTXQQXDNBDGND-UHFFFAOYSA-N 418.472 5.009 0 40 HKAB CC(C)c1ccccc1NC(=O)Cn1c(-c2ccccc2Cl)nc2ccccc21 6313640 YSZNGVHVTOABOS-UHFFFAOYSA-N 403.913 6.119 0 40 HKAB Cc1c(CC(=O)Nc2ccccn2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 6669360 NHTWFHYNUNOIFA-UHFFFAOYSA-N 404.466 5.030 0 40 HKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 6845815 ZVXKUDHVHVEGKT-INIZCTEOSA-N 409.938 5.999 0 40 HKAB Cn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccc(F)cc1 6912795 UDJIXWCOJSKVBJ-OAQYLSRUSA-N 403.482 5.338 0 40 HKAB C=CCc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(OCC)c1OCC 6959625 AFOPHGRQWZQRSD-ZSICUCBDSA-N 416.587 5.302 0 40 HKAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 7763540 JRXOWSNNAJLJGZ-CQSZACIVSA-N 412.584 5.586 0 40 HKAB CCOC(=O)c1ccc(-c2ccc(CN[C@@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1 8253097 AGILTDJDEVMECA-BALBBAFXSA-N 407.554 5.818 0 40 HKAB CCC[C@@H](NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C(C)C)c1ccccc1 8573577 IXTWEZISYZSHMX-FXAWDEMLSA-N 423.582 5.116 0 40 HKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2C)CC1=O 8587095 UNMUXLYOSUZLMT-NRFANRHFSA-N 419.569 5.320 0 40 HKAB O=C(Nc1ccc(Br)cc1)c1cc(-c2ccc(F)cc2)nc2ccccc12 8917430 NKVXRYQJRUBQAX-UHFFFAOYSA-N 421.269 6.056 0 40 HKAB CCc1ccc2nc(N(Cc3cccnc3)C(=O)c3cccc4ccccc34)sc2c1 9241919 ZFMQJWGHAOVRJF-UHFFFAOYSA-N 423.541 6.254 0 40 HKAB Cc1ccccc1-c1nsc(SCC(=O)Nc2ccc(Br)cc2)n1 9404022 TVNYJFMNEJYFIU-UHFFFAOYSA-N 420.357 5.007 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9593969 BRCAYIBUWUTAID-QGZVFWFLSA-N 407.297 5.524 0 40 HKAB COc1ccccc1C(=O)Nc1ccc2oc(C(=O)c3ccc(Cl)cc3)c(C)c2c1 9659881 PHYFDIKTUCQTQS-UHFFFAOYSA-N 419.864 5.887 0 40 HKAB biogenic Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3Cl)cc2C)cc1 10357909 LLKRCUUNKVWVBT-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1nc2ccc(Cl)cc2s1 11504260 JFXBFVFDYYKHNL-UHFFFAOYSA-N 419.840 5.454 0 40 HKAB COc1ccc(-c2c(C)c3ccc(OC(=O)c4cccs4)cc3oc2=O)cc1OC 11866265 UMMGXWLEZXVWJB-UHFFFAOYSA-N 422.458 5.066 0 40 HKAB biogenic CCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)no2)cc1 11915139 SPUVWBXXCKIUQM-UHFFFAOYSA-N 410.779 5.665 0 40 HKAB Cc1ccc2ccccc2c1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 12483410 QFYFQVGFXUWHDO-UHFFFAOYSA-N 422.915 7.269 0 40 HKAB COC(=O)c1cc(-c2nc3ccccc3[nH]2)c(-c2ccc(Br)cc2)nc1C 12535204 SFMSATXYZHOXLS-UHFFFAOYSA-N 422.282 5.149 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2NC2CCCCC2)cc1 13041591 DBTDSAOLNHTJLL-UHFFFAOYSA-N 412.477 5.559 0 40 HKAB CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1cccc(OC(F)F)c1 13109582 OFJXKFDJFMIGLY-UHFFFAOYSA-N 421.831 5.042 0 40 HKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccccc1SCc1cccs1 13128306 POFJXSGQQOOEBQ-HNNXBMFYSA-N 424.616 6.483 0 40 HKAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1 13946347 XLOIKANLGFSFMP-XNTDXEJSSA-N 415.543 5.490 0 40 HKAB COc1ccc(-c2cnn3c(C(F)(F)F)cc(-c4ccc(C)cc4)nc23)cc1OC 14257454 WAGNOXXEHITSSJ-UHFFFAOYSA-N 413.399 5.408 0 40 HKAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cc1ccc(Cl)cc1Cl 14596414 KMQXDSSLVYNJIY-UHFFFAOYSA-N 422.230 5.219 0 40 HKAB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(-c2cccc(Cl)c2)o1 17093328 SHNLTYYPSRNNGY-UHFFFAOYSA-N 422.893 5.586 0 40 HKAB Cc1ccccc1Nc1nc(NCc2ccccc2)nc2c1cnn2-c1ccccc1 17136033 GOKAUPBSLYBZHO-UHFFFAOYSA-N 406.493 5.480 0 40 HKAB CCc1c(C)noc1-c1snnc1C1CCN(Cc2cc(C)sc2C)CC1 19521797 DUZMZXIHZXVUKA-UHFFFAOYSA-N 402.589 5.122 0 40 HKAB O=C(C1=C(c2ccccc2)SCCO1)N(Cc1cccc(Cl)c1)c1ccccn1 20745511 GFLZUXLWLMIGIJ-UHFFFAOYSA-N 422.937 5.400 0 40 HKAB COc1ccc(C(=O)Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)cc1OC 20807855 KEYHDRLAJCMBOP-UHFFFAOYSA-N 408.401 5.098 0 40 HKAB O=C(Nc1cccc(Cl)c1Cl)c1cccc(OCc2ccccc2Cl)c1 22258101 AYGADWUBFQEYSD-UHFFFAOYSA-N 406.696 6.478 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1cc(-c3ccco3)on1)CC2 24573627 YKEWTQFHRFBCFJ-HSZRJFAPSA-N 422.506 5.161 0 40 HKAB c1ccc(CN2Cc3cn(-c4ccc(-c5ccccc5)cc4)nc3-c3ccccc32)cc1 27642821 FSRYUUWJQWRHMM-UHFFFAOYSA-N 413.524 6.727 0 40 HKAB CCN(C(=O)COc1cccc(C)c1)[C@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27991086 HHBXMDMAVBWJLM-HHHXNRCGSA-N 412.533 5.802 0 40 HKAB O=C(c1ccc(COc2ccc(F)cc2F)o1)N1CCC(Cc2ccccc2)CC1 28230112 WVRRJIZKXQRCMK-UHFFFAOYSA-N 411.448 5.232 0 40 HKAB COc1ccccc1-c1noc(CSc2nccn2-c2cccc(Cl)c2C)n1 29916282 KQBPSRHSRWTGPF-UHFFFAOYSA-N 412.902 5.185 0 40 HKAB O=C(NCc1ccccc1COc1ccccc1)c1c[nH]c(=S)n1-c1ccccc1 30185973 ILILGNLAUQRMNY-UHFFFAOYSA-N 415.518 5.044 0 40 HKAB Cc1ccc(-c2nc(CSCC(=O)Nc3ccccc3C(F)(F)F)cs2)cc1 31411760 DIWDUSFVXRJQQH-UHFFFAOYSA-N 422.497 6.009 0 40 HKAB O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)c1c(-c2ccccc2)cc2ccccn12 35078168 DRSLRFUBNOGLPV-UHFFFAOYSA-N 409.272 5.735 0 40 HKAB Cc1c(-c2ccccc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1cccc(C(F)(F)F)c1 35684324 FCJWQVILHBKUBF-INIZCTEOSA-N 414.387 5.049 0 40 HKAB COc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)cc1 40073360 JTQHUZGCFZWWGR-UHFFFAOYSA-N 401.388 5.029 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)N(Cc1ccccn1)C1CC1 58147700 IEYXSZVFLVCZSA-UHFFFAOYSA-N 418.463 5.287 0 40 HKAB Cc1cccn2cc(Cc3nc(-c4ccc(NC(=O)C(C)(C)C)cc4)cs3)nc12 58201210 ZQXOANRHTPWEDT-UHFFFAOYSA-N 404.539 5.342 0 40 HKAB CCN(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)c1ccccc1C 58641631 TXDYVBLIOYZRSZ-UHFFFAOYSA-N 400.931 5.280 0 40 HKAB Cc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NCc2ccco2)c1C 67293147 WQUJMDIQZZTERO-RWEWTDSWSA-N 406.869 5.458 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(Cl)cc2C)nc1 67294396 KXRNIEHPSSSYBM-RWEWTDSWSA-N 419.868 5.288 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C(C)C)cc2)cc1 67297557 FSRJQKDQDFBVQV-SGEDCAFJSA-N 412.489 6.050 0 40 HKAB O=C(CSc1nccc(C(F)(F)F)n1)Nc1cccc(Oc2ccccc2)c1 95947470 VIDRZUUMNSUMPN-UHFFFAOYSA-N 405.401 5.019 0 40 HKAB COc1ccc([C@H]2OC[C@@]3(COC(=O)c4ccccc4)[C@@H](C)C=C(C)[C@H]2[C@@H]3C)cc1 100745437 VGRINMHUNLQXBU-RXMJZRMLSA-N 406.522 5.458 0 40 HKAB O=C1C[C@H](Nc2ccc(Cl)cc2Cl)C(=O)N1c1cccc(Cl)c1Cl 101277086 HFZMVAHURUJMKB-LBPRGKRZSA-N 404.080 5.044 0 40 HKAB OC1=C2C(=Nc3ccccc3N[C@@H]2c2ccc(F)cc2)C[C@@H](c2ccc(Cl)cc2)C1 102642691 STICKSNCYMGCLF-CRICUBBOSA-N 418.899 7.108 0 40 HKAB COc1cc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3onc(C)c32)ccc1O 102716444 UEAJGAXKXZIAGL-OPAMFIHVSA-N 402.450 5.305 0 40 HKAB COc1ccccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 107771013 QMSDSPUDCYUKJY-UHFFFAOYSA-N 411.335 5.344 0 40 HKAB CC(=O)O/C(C)=C1/CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118923496 DQHKOPGHSPUDFM-JSJHEFNVSA-N 400.559 5.718 0 40 HKAB O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccc(F)cc1F 208010676 VVVDEHUKCUXRMU-UHFFFAOYSA-N 410.420 6.147 0 40 HKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCC1 222718801 HHZGSKORYOIXQJ-UHFFFAOYSA-N 423.365 5.101 0 40 HKAB CCSc1nnc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)s1 222962322 KBFTWNWCGLQLKJ-UHFFFAOYSA-N 401.582 5.503 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1Cc1ccco1 223365857 VHPIAQQWHCGWDR-YADHBBJMSA-N 406.555 5.154 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 223955631 BXSJBBVNFKJUTP-UHFFFAOYSA-N 422.550 5.173 0 40 HKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3cccc(C)c3)c2)cc1 224115785 NAHCJZMLFLAMNH-UHFFFAOYSA-N 403.522 6.178 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 224210042 CCLCBINVJHOVNN-BJKOFHAPSA-N 410.546 5.358 0 40 HKAB O=C(NCc1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1OCc1ccccc1 225211587 COYLHWALHGWAMR-UHFFFAOYSA-N 419.830 5.868 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc4c(c3)OCCO4)c2)cc1 225400803 VCACSRFHNPHZJZ-UHFFFAOYSA-N 415.489 5.239 0 40 HKAB O=C(CCc1ccccc1Br)N1CCc2cc(-c3ccncc3)ccc21 225638766 PJKBAJBVJOXNQJ-UHFFFAOYSA-N 407.311 5.033 0 40 HKAB Cc1cc(Br)cc(C)c1NC(=O)c1sc(-c2cccnc2)nc1C 226094442 WGBXNILCARBJAN-UHFFFAOYSA-N 402.317 5.145 0 40 HKAB O=C(O)CCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 226342157 BZQSXIGEVKMVES-UHFFFAOYSA-N 404.087 5.352 0 40 HKAB Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3F)o2)c(Br)c1 227148069 TWATVWZYIVOZSN-JXMROGBWSA-N 401.235 5.082 0 40 HKAB CCCC[C@H](CC)CO[P@@](=O)(C[C@@H](CC)CCCC)OC[C@H](CC)CCCC 256089638 GOCVCBDBQYEFQD-IMBSWCNGSA-N 418.643 8.862 0 40 HKAB O=C(CSCc1ccccc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 408577698 QTJSCMPGSMCHGR-UHFFFAOYSA-N 416.974 5.228 0 40 HKAB CCCOc1ccc(CNc2ccc(Br)cc2C)cc1Br 408608462 LQZFIEVPOYCNGS-UHFFFAOYSA-N 413.153 5.921 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccccc2C)n1 408697189 FTVOVMHPJUWTJR-UHFFFAOYSA-N 420.875 5.596 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1cccc(C(F)(F)F)c1)[C@@H]1Cc3ccccc3[C@H]21 408993637 DUELBAKYOFUDOV-NJDAHSKKSA-N 409.407 5.875 0 40 HKAB Cc1cccc(OCc2nn(CC(=O)Nc3cc(Cl)ccc3Cl)c(=S)o2)c1 409169256 PBOACVHBJUHDCB-UHFFFAOYSA-N 424.309 5.039 0 40 HKAB O=C(CCC(=O)c1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 409196923 SIXCITUARHGZET-UHFFFAOYSA-N 412.514 6.079 0 40 HKAB CC(C)Cc1ccc([C@H]2C[C@H]3[C@H](O[C@H]2C)c2cc(C(=O)O)ccc2OC3(C)C)cc1 585266068 CYTMZFMWVABQLT-ZOZDAHEQSA-N 408.538 6.004 0 40 HKAB Cc1ccc(C)c(NC(=O)c2sc3nc(-c4ccc5c(c4)OCO5)ccc3c2N)c1 661419 PZRUXONHCQZITO-UHFFFAOYSA-N 417.490 5.143 0 40 HKAB CC(=O)c1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(C(C)=O)s3)s2)s1 1099946 VNUGYZCRWDSPKC-UHFFFAOYSA-N 416.633 6.928 0 40 HKAB Cc1cccc2cc(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCC3)c(=O)[nH]c12 1378155 HFFMLBWDLAKEBN-UHFFFAOYSA-N 409.917 5.467 0 40 HKAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1csc(-c2ccccc2)n1 1391446 RMSFAIMJYRDDTA-UHFFFAOYSA-N 412.971 6.034 0 40 HKAB BrC(Br)(Br)C(c1ccccc1)c1ccccc1 1632651 MVMXKFOAEMFVLO-UHFFFAOYSA-N 418.954 5.657 0 40 HKAB CCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3ccc(OCC)cc23)cc1 1774722 GDLVGIBHOWBVCG-UHFFFAOYSA-N 422.481 5.121 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 2280420 IECCNDHRYPEYKR-UHFFFAOYSA-N 420.921 6.393 0 40 HKAB Cc1ccc(Cl)cc1N[P@](=O)(OCC(F)(F)F)Oc1ccc(Cl)cc1 2290914 HFDUTRGOOSVFCA-VWLOTQADSA-N 414.147 6.480 0 40 HKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CC[C@H](c3ccccc3)C2)c(C(C)C)c1 2376521 XUONMUDHPABBKZ-NRFANRHFSA-N 413.627 6.235 0 40 HKAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1nnc(SCc2ccccc2)s1 2630448 UPHIISCUPIKNSE-UHFFFAOYSA-N 410.351 5.318 0 40 HKAB Cc1c(COc2ccc(Cl)cc2Cl)oc2c(Cl)cc(Cl)cc2c1=O 2657895 KSAAAONQXYVPJN-UHFFFAOYSA-N 404.076 6.294 0 40 HKAB O=C(NC1CCCCC1)C(=Cc1cccc2ccccc12)C(=O)NC1CCCCC1 3261804 YDYCLSPKXHSTSH-UHFFFAOYSA-N 404.554 5.121 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 3317732 NZFQTRGOCSPNKK-UHFFFAOYSA-N 412.269 5.451 0 40 HKAB c1ccc(-c2cnc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)o2)cc1 3445298 OTYYDBQGHFSNOX-MRXNPFEDSA-N 424.551 5.133 0 40 HKAB Cc1oc2cc3oc(=O)c(CCC(=O)NC4CC4)c(C)c3cc2c1-c1ccccc1 4089785 KQRQTINUQUJPSL-UHFFFAOYSA-N 401.462 5.034 0 40 HKAB biogenic CCc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3F)C3CCCCC3)cc2c1 4230980 GZDIQQNCFJURJN-UHFFFAOYSA-N 406.501 5.205 0 40 HKAB Cc1ccc2c(c1)Cc1c(nc(-c3ccc(F)cc3)nc1SCc1ccccc1)O2 4316265 GAPLHFVORVBDAM-UHFFFAOYSA-N 414.505 6.580 0 40 HKAB CCOc1cccc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c1 4546886 CQWKPEYGFAZJQX-UHFFFAOYSA-N 400.478 6.269 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc4ccccc4c2)N3)C1 4553662 XNPBHYAYWDRBEJ-AVRDEDQJSA-N 404.579 6.871 0 40 HKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c1 4741195 ZASOAYYAQDAEKX-SNVBAGLBSA-N 415.704 5.401 0 40 HKAB Cc1ccc(NC(=O)Cn2c(COc3ccccc3)nc3ccccc32)c(Cl)c1 5185805 ZKRUJVQMVIOLGU-UHFFFAOYSA-N 405.885 5.216 0 40 HKAB CC(C)c1ccc([C@]2(C(=O)NC3CCCCC3)CC(=O)N2c2ccc(Cl)cc2)cc1 5484634 KSTRZMCKCDRDAT-VWLOTQADSA-N 424.972 5.545 0 40 HKAB CC(C)(C)[P@@](=Nc1cc(Cl)ccc1Cl)(c1ccccc1)N1CCOCC1 5496423 XJZJDIDZBLEAKR-AREMUKBSSA-N 411.313 6.197 0 40 HKAB O=C(Nc1ccccc1)[C@H]1C(O)=Nc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1 5604005 INBXREFOENACJH-UXHICEINSA-N 411.288 5.982 0 40 HKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(-c3ccccc3)cc2)cc1 5745588 MOLSDNAPSHRQLC-LMSSTIIKSA-N 416.524 6.904 0 40 HKAB CC[C@H](OC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1)C(=O)c1ccccc1 5875150 LFBKGGPHRKSGNC-QFIPXVFZSA-N 401.462 5.066 0 40 HKAB Cc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C 5937859 YTNVVDUDPAXHQL-FXAWDEMLSA-N 421.570 5.131 0 40 HKAB Cc1ccc(-c2nnc(SCc3csc(-c4ccccc4Cl)n3)n2N)cc1 6510114 VKWYWHLCPAVLTM-UHFFFAOYSA-N 413.959 5.037 0 40 HKAB O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(-c2ccccc2)cc1 6616222 MUXXZUSKKLMBOD-UHFFFAOYSA-N 401.535 5.081 0 40 HKAB Cc1cc(F)ccc1NC(=O)c1cc2ccccc2cc1OCc1c(C)noc1C 7750589 VPHXRQLOVLYUAP-UHFFFAOYSA-N 404.441 5.723 0 40 HKAB C[C@H]1c2ccsc2CCN1C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 7830858 IVQVGDISVRYTSX-INIZCTEOSA-N 418.537 6.114 0 40 HKAB CC(C)(C)c1ccccc1OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 8041051 KWTIPMBGLJIVST-UHFFFAOYSA-N 409.913 6.447 0 40 HKAB COc1cc(C)c(C[C@@H]2SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1C(C)C 8333869 WVJRZPNZPVSDJL-FQEVSTJZSA-N 417.958 5.587 0 40 HKAB Cc1ccc(C)n1N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1Cl 8475570 RLUVWVMPUQCXFT-UHFFFAOYSA-N 407.728 6.044 0 40 HKAB COc1ccc(Br)cc1-c1nc(C)c(C(=O)Nc2ccccc2)s1 8704542 HBMKOUPZJMRREB-UHFFFAOYSA-N 403.301 5.142 0 40 HKAB O=S(=O)(c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1c1nc2ccccc2s1 8773116 DCANLZZDWGBFHM-OAHLLOKOSA-N 413.351 5.129 0 40 HKAB Cc1c(CCC(=O)Nc2ccccn2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 8792323 ZBAPWTBNKPDFIR-UHFFFAOYSA-N 424.456 5.481 0 40 HKAB biogenic Cc1ccc([C@@H]2CC(O)=Nc3c2c(-c2ccccc2)nn3-c2nc(C)cc(C)n2)cc1 8991291 CBTYAWDINGWCIA-FQEVSTJZSA-N 409.493 5.378 0 40 HKAB Cc1nc2ccccc2c(=O)n1-c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 9345910 YSRCXCFUXCVHPX-UHFFFAOYSA-N 424.287 5.253 0 40 HKAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1c(F)c(F)c(F)c(F)c1F 9613671 GDQPOAJVHUDGTP-UHFFFAOYSA-N 423.406 5.843 0 40 HKAB Cc1cc2nc(-c3ccc(CNC(=O)/C=C/c4ccc(Cl)cc4)cc3)oc2cc1C 10120401 XPNZSOLKXIAJEL-KPKJPENVSA-N 416.908 6.095 0 40 HKAB COc1cc(Cl)c(C)cc1-n1c(SCc2ccccn2)nc2ccccc2c1=O 11321511 NTIMLFVKDOMGCU-UHFFFAOYSA-N 423.925 5.043 0 40 HKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1 12860652 ZAQLDPVFLIBJJB-NTEUORMPSA-N 415.924 6.659 0 40 HKAB CCOc1c(Br)cc(Br)cc1/C=C1\C(=O)Nc2ccccc21 13914632 RKHXJVXTUDRNAT-JYRVWZFOSA-N 423.104 5.103 0 40 HKAB O=C(c1ccc(Br)cc1)c1cnc2cc(Cl)ccc2c1-c1ccccc1 16492501 XVQVBALQRVJHNU-UHFFFAOYSA-N 422.709 6.549 0 40 HKAB Cc1cc(C)cc(Nc2nc(N3CCC(C)CC3)nc3c2cnn3-c2ccccc2)c1 17010813 FBRDWIRLEXOWCB-UHFFFAOYSA-N 412.541 5.412 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5)cc4)ccc3o2)c(C)c1 17091443 IPRHBUGHKWSERQ-UHFFFAOYSA-N 418.496 7.031 0 40 HKAB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cn3nc(C)c(Cl)c3C)n2)cc1C 17091731 DVVVXBOHYZINNI-UHFFFAOYSA-N 418.972 6.423 0 40 HKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(CNC(=O)[C@@]5(C)CC5(Cl)Cl)(C4)C2)C3)cc1C 17724554 YZMIMWHIZYRODV-GWMSNGGESA-N 420.424 5.842 0 40 HKAB CSc1cccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)c1 19309345 PIOJDEJLTZDTAF-UHFFFAOYSA-N 411.836 5.519 0 40 HKAB O=C(CCc1nc(-c2ccccc2Cl)no1)N(Cc1cccnc1)C1CCCCC1 19368452 IDRVAFGFJUBHCB-UHFFFAOYSA-N 424.932 5.079 0 40 HKAB Cc1ccc(SCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 20456613 DJKWUPYQEGBUMG-UHFFFAOYSA-N 400.396 5.444 0 40 HKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccccc1Br 22245798 SZCKRBFJIZZPPE-UHFFFAOYSA-N 406.280 5.349 0 40 HKAB Cc1noc([C@H](C)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2C2CCCC2)n1 24841406 OWUZMPHFGKWLCR-AWEZNQCLSA-N 411.575 5.902 0 40 HKAB CCN(C(=O)CSc1nc2ccccc2n1C(F)F)c1nc2ccccc2s1 25981965 XNBQHWNMMLHSDK-UHFFFAOYSA-N 418.494 5.186 0 40 HKAB CCC(C)(C)C1CCC(NC(=O)c2cccnc2SCc2c(C)noc2C)CC1 26042384 IWBKDXCTKCPIIW-UHFFFAOYSA-N 415.603 5.704 0 40 HKAB CCc1ccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1 32126594 URDAQSGGSROVCN-UHFFFAOYSA-N 422.484 6.228 0 40 HKAB O=C(Nc1ccc(Br)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn12 35078140 YQTHVTOTKUDOML-UHFFFAOYSA-N 419.278 5.190 0 40 HKAB C[C@@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc(C(C)(C)C)cc1 39761062 AEECGAFPERRTAK-GOSISDBHSA-N 413.005 5.727 0 40 HKAB Cc1cc(C)c(NC(=O)Cc2c(C)nn(-c3ccc(C(F)(F)F)cn3)c2C)c(C)c1 40134474 SUWUJBHKLAVKSK-UHFFFAOYSA-N 416.447 5.009 0 40 HKAB C[C@H](c1ccc(Cl)cc1)N(C)Cc1nc(-c2cc(Br)cs2)no1 40157201 LVPIELRITDYPAP-SNVBAGLBSA-N 412.740 5.407 0 40 HKAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(Cc1ccc(F)cc1)C3 55393803 LNHGYCPGXZMXEV-UHFFFAOYSA-N 415.464 5.183 0 40 HKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1Cl 57316164 ALPFZAXOVMFCHM-UHFFFAOYSA-N 413.867 6.452 0 40 HKAB Cc1cccc(OC(F)F)c1NC(=O)NCc1nc(C)c(-c2ccc(Cl)cc2)o1 79073158 CXDYKENRNWKBEA-UHFFFAOYSA-N 421.831 5.535 0 40 HKAB O=C(Nc1ccc2c(c1)C(O)=Nc1cccnc1O2)c1c(Cl)cccc1Cl 79475553 MQMUQIQDDOPALT-UHFFFAOYSA-N 400.221 5.383 0 40 HKAB Cn1ccnc1-c1sc(NC(=O)[C@H]2C[C@H]2c2ccccc2F)nc1-c1ccccc1 95348755 XCXGUKFPHZZQDX-IRXDYDNUSA-N 418.497 5.092 0 40 HKAB CCOc1ccc(C2=C[C@H](c3ccccc3F)n3c(nc4ccccc43)N2)cc1Cl 102799616 RFDMQUWSJXXJBF-JOCHJYFZSA-N 419.887 6.284 0 40 HKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 216451488 VAGLEXZYWPVPID-ULCRDSCMSA-N 403.566 6.259 0 40 HKAB CCCCCC/C=C\CCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)O 217784546 OIDVFUQQVKYQTG-YLNCNTMDSA-N 401.591 6.056 0 40 HKAB biogenic,in-vitro CC(C)c1ccc(CCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 219411243 GJMPHAWKJZTCNE-UHFFFAOYSA-N 413.005 5.424 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 223529489 UQHNDLTWONMNNM-PKTZIBPZSA-N 417.549 6.196 0 40 HKAB CCN(c1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1)S(=O)(=O)c1ccccc1 224354347 QKXJEDRXEXGOOY-UHFFFAOYSA-N 422.550 5.278 0 40 HKAB CCOc1ccc(C(=O)NCc2ccccc2)cc1COc1ccccc1C(C)(C)C 224507560 ZATZAAPBIRRBAS-UHFFFAOYSA-N 417.549 5.892 0 40 HKAB O=C(Nc1ccc2c3c(cccc13)CC2)C1CCN(Cc2ccccc2Cl)CC1 224533775 MKEVXEOWBRFTDC-UHFFFAOYSA-N 404.941 5.443 0 40 HKAB CCOc1ccc(C(=O)NCc2ccccc2)cc1COc1cccc2ccccc12 224628534 NBPOZOTZUUQOHW-UHFFFAOYSA-N 411.501 5.748 0 40 HKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c1 225178238 CERAMXBCBRYSHB-INIZCTEOSA-N 412.555 5.482 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NC(=S)Nc2ccc(Cl)cc2)cc1 225465976 BOPPLFBSBOQSRU-UHFFFAOYSA-N 419.333 6.603 0 40 HKAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225641113 UPXGYUMUWCHZLH-IBGZPJMESA-N 422.619 6.041 0 40 HKAB CCOC1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCCCC1 225709621 HRJQDEUSAHATLO-FQEVSTJZSA-N 402.579 5.008 0 40 HKAB O=C(c1cc(-c2ccc(Cl)cc2)on1)N(Cc1ccccc1)Cc1ccccc1 225899818 YNOFJVJZQSGIBX-UHFFFAOYSA-N 402.881 5.838 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408649305 XPRPFKNVLWBAHV-VIFPVBQESA-N 418.107 5.292 0 40 HKAB COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(Cl)ccc3C)n2)cc1 408694967 MZJLEFGCWFPCBP-UHFFFAOYSA-N 418.884 5.157 0 40 HKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccc(F)cc2)nc1-c1ccc(F)cc1 408696250 YPZMJOQYDLXCOU-UHFFFAOYSA-N 424.838 5.427 0 40 HKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(C)cc2)cc1 408725429 OWWYWIBMEVTAHO-UHFFFAOYSA-N 401.897 6.062 0 40 HKAB O=C(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccccc1 408976852 SPUGZWHHMSLZSR-UHFFFAOYSA-N 401.469 6.216 0 40 HKAB COc1ccc(CCCc2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cc1 409020128 ZMDGRSRENVGENC-UHFFFAOYSA-N 409.338 5.853 0 40 HKAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 1848355113 FFFFSXMZGRYQHL-HSZRJFAPSA-N 423.560 5.411 0 40 HKAB CC(C)CN1C(=O)N(c2ccc(F)cc2)[C@@H]2[C@H](c3cccc(Cl)c3)CCCC[C@@H]21 2037838561 OHLUTFYKZGLIMX-RJGXRXQPSA-N 414.952 6.472 0 40 HKAB O=C(c1cccc(F)c1)N(Cc1ccco1)c1nc(-c2ccc(Cl)cc2)cs1 932804 VANCXRPDJZNNOV-UHFFFAOYSA-N 412.873 6.043 0 40 HKAB COc1ccc(CN(Cc2ccc(F)cc2)C(=S)Nc2ccccc2)cc1OC 1437208 PLXRDEYHRWPYMO-UHFFFAOYSA-N 410.514 5.242 0 40 HKAB CCCSc1nnc2n(CCC)c3c(c(=O)n12)C(CC)(CC)Cc1ccccc1-3 2361548 FFFBUKLVRINUEY-UHFFFAOYSA-N 410.587 5.084 0 40 HKAB C[C@@H]1CCCCN1c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 2412430 HHARKMSTFOJLET-OAHLLOKOSA-N 400.551 5.774 0 40 HKAB CCCCc1ccc(-c2nc(C3CCC(C4CCC(CCC)CC4)CC3)no2)cc1 2496614 CXLZAOOSGHGCHN-UHFFFAOYSA-N 408.630 7.960 0 40 HKAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c(C)n1C 2624488 KMDZWQICZYCGDB-UHFFFAOYSA-N 420.513 5.004 0 40 HKAB Cc1ccc(-c2ccc(S(=O)(=O)N(CC(F)(F)F)c3ccccc3)cc2)cc1 2890652 WSDPGHNLQYNBIP-UHFFFAOYSA-N 405.441 5.420 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3o2)c1 3026850 YRWZHCWXJROLKC-UHFFFAOYSA-N 413.260 6.063 0 40 HKAB Cn1nc(-c2ccccc2)c([C@H](O)c2cccs2)c1Sc1ccc(Cl)cc1 3049348 UJCOTVDGPZAAAF-HXUWFJFHSA-N 412.967 6.035 0 40 HKAB O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc2ncsc2c1 3425927 CLZSXHDMBJMWEW-UHFFFAOYSA-N 418.956 5.346 0 40 HKAB Oc1ccccc1-c1cc(C(F)(F)F)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 3765725 QGQSZGLDZDAIMX-UHFFFAOYSA-N 421.831 6.041 0 40 HKAB CC(C)(C)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 4287660 QUSWPODWSHQLLH-UHFFFAOYSA-N 407.583 5.939 0 40 HKAB COc1ccc(OC)c([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc(Cl)c4)=NN32)c1 5176796 OFCVVNIDTSWHAV-XUZZJYLKSA-N 420.896 5.600 0 40 HKAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccc(Cl)c(Cl)c4)nnc32)cc1C 5253063 CSQOKEUJVJBEMW-UHFFFAOYSA-N 409.280 5.054 0 40 HKAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3cccc(Cl)c3Cl)NC(=O)CCN21 5376546 MXNXODFIRNZDGU-XBFAEUMISA-N 401.337 5.329 0 40 HKAB Cc1cccc(NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)c1C 5809068 WSINBQKFAHFVGU-UHFFFAOYSA-N 416.502 5.376 0 40 HKAB CCCCCCSCc1nc2cc(Cl)ccc2c(=O)n1-c1cc(C)cc(C)c1 6264115 NYZVBKAEHNENQR-UHFFFAOYSA-N 415.002 6.469 0 40 HKAB CCC(C)(C)c1ccc(OCCCC(=O)NC2CCCCCC2)c(C(C)(C)CC)c1 6308320 ZNIMLCPKUITLDB-UHFFFAOYSA-N 415.662 7.060 0 40 HKAB O=C(COc1ccccc1)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 6616124 PUNQFOCQTGPDPG-UHFFFAOYSA-N 410.300 6.258 0 40 HKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc2C)c1 6707075 CHTFMXCXOAGPNO-UHFFFAOYSA-N 422.550 5.282 0 40 HKAB CCN(C(=O)c1ccccc1Br)c1nc(-c2ccc(C)cc2)cs1 6826490 JMLIDKRNMIMUTK-UHFFFAOYSA-N 401.329 5.548 0 40 HKAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2ccc(Cl)cc2)cc1 7141184 XLBLTWGQIUTMGC-QHCPKHFHSA-N 420.896 5.105 0 40 HKAB Cc1nnc(SCC(=O)N(c2ccccc2)C2CCCCC2)n1-c1ccccc1 8130566 ODNUEEYLDFRGSP-UHFFFAOYSA-N 406.555 5.034 0 40 HKAB O=C(CCc1ccco1)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 8185306 CQFTUWNVWYYJBH-UHFFFAOYSA-N 406.482 5.708 0 40 HKAB O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)Nc1ccc(Cl)cc1 9666247 LMIHCOXCXVNABS-UHFFFAOYSA-N 411.936 5.187 0 40 HKAB O=C(CN1CCC[C@@H]1c1cccs1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 12554122 AEJQXUOHVDFWLI-GOSISDBHSA-N 423.504 5.143 0 40 HKAB FC(F)(F)c1nnc2ccc(N[C@@H](c3ccccc3)c3cc4ccccc4o3)nn12 12889261 XBIRCEQBKFMMKE-IBGZPJMESA-N 409.371 5.091 0 40 HKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3)n2CC)cc1 13871537 MJKLDTAIIOJQBY-QGZVFWFLSA-N 424.570 5.040 0 40 HKAB CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(C(N)=O)c2)cc1 15554230 FFKFHFKUQYVKDN-UHFFFAOYSA-N 424.504 5.014 0 40 HKAB COc1cccc(CNCc2ccc(F)cc2)c1OCc1ccc(Cl)cc1Cl 16228255 KWNAMGVJWWDTSJ-UHFFFAOYSA-N 420.311 6.010 0 40 HKAB Clc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2cccnc2)cc1 16789454 NPCNDETZUYMQLQ-UHFFFAOYSA-N 418.913 5.151 0 40 HKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3N3CCCC3)o2)cc1Cl 17087577 DQHINDCJBDVZBW-ACCUITESSA-N 406.913 6.161 0 40 HKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1 17090354 WGBFGHKDLBIMIM-UHFFFAOYSA-N 415.518 5.547 0 40 HKAB CCc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 17091767 JTBFQZSJCOSONJ-UHFFFAOYSA-N 419.333 5.943 0 40 HKAB CC(C)(C)CC(=O)N[C@@H](C[C@@H]1CCCCN1Cc1ccc(F)cc1)c1ccccn1 19082742 ODYBYPRJPOGVQB-GMAHTHKFSA-N 411.565 5.259 0 40 HKAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)n1 19691150 OVGUXBSEFQFIFQ-UHFFFAOYSA-N 406.505 5.062 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCSCc1ccc(Cl)cc1 20035565 CBNSSYDHDKSQGO-OAQYLSRUSA-N 413.970 5.700 0 40 HKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(C(C)(C)C)cc1 23053452 USJPUYVCALKPLD-UHFFFAOYSA-N 411.933 5.740 0 40 HKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1sc2ccccc2c1Cl 25275911 QNDKODDBVSKTCJ-UHFFFAOYSA-N 401.875 5.250 0 40 HKAB CCOc1ccc(-c2nc(-c3cccc(NC(=O)Cc4cccs4)c3)no2)cc1 28221862 BAPWFUJCYCFEDK-UHFFFAOYSA-N 405.479 5.045 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)N(Cc2ccccc2Cl)c2ccccn2)c1 28293486 LRTOVGQRKIKGOY-UHFFFAOYSA-N 408.929 5.779 0 40 HKAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(C(F)(F)F)cc1 29247388 DYHXIDMMDNACKL-ZDUSSCGKSA-N 422.834 5.824 0 40 HKAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 30864529 IQXNQOMANKEFAV-LJQANCHMSA-N 415.533 5.930 0 40 HKAB COc1cccc([C@H]2CC(O)=Nc3nc(N)sc32)c1OCc1ccccc1Cl 32074731 GIYORGWAHNZIJP-CYBMUJFWSA-N 415.902 5.090 0 40 HKAB COc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1OCc1cccnc1 32832152 LCMJLPCCCZGPRF-UHFFFAOYSA-N 403.265 5.228 0 40 HKAB O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C\c1ccc(Br)o1 35647047 YVKYSRUNKVGFSA-WDZFZDKYSA-N 418.099 5.241 0 40 HKAB C[C@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc(C(C)(C)C)cc1 39761061 AEECGAFPERRTAK-SFHVURJKSA-N 413.005 5.727 0 40 HKAB C[C@@H]1CCC[C@@H](n2ccc3c(cnc4c(-c5ccc(Cl)cc5)cnn43)c2=O)[C@@H]1C 40397291 PCXLVNOTVFFPJE-STXHMFSFSA-N 406.917 5.362 0 40 HKAB CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)cc1OCC 44902943 ZIHJHEMZQLCNHY-FDDCHVKYSA-N 421.537 5.672 0 40 HKAB Cc1nc2cc(C(=O)Nc3c(F)cccc3NC3CC3)ccc2n1-c1ccccc1 78968583 PNJHLIFBXZKPEJ-UHFFFAOYSA-N 400.457 5.300 0 40 HKAB Fc1ccc(-c2sc(-c3ccc(Cl)cc3)nc2SCc2ccccc2)cc1 82087280 QHCGFIJYAQFKCZ-UHFFFAOYSA-N 411.954 7.562 0 40 HKAB CC1(C)CC2=NC(Nc3nc4ccccc4s3)=N[C@@H](c3ccc(F)cc3)C2=C(O)C1 102658714 VFKNBTPOHORKIW-FQEVSTJZSA-N 420.513 6.031 0 40 HKAB O=C1S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1 106686670 VKBUKXWOAVFIMP-AUWJEWJLSA-N 414.697 5.589 0 40 HKAB Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)cc2)cc1 222605590 QZBUKWUQEYPNKL-RTFZILSDSA-N 417.603 6.131 0 40 HKAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 222938833 KUEVLYOXFKMNRD-VWLOTQADSA-N 422.613 5.117 0 40 HKAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1C(C)C 223004191 RGZOFRXRDRXOJV-KRWDZBQOSA-N 401.572 5.045 0 40 HKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 224282920 HHWORSBJNTZXQP-VWLOTQADSA-N 420.597 5.021 0 40 HKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(CSc2ccccc2)cc1 224971206 HIMVFRRUFZQDJN-UHFFFAOYSA-N 409.554 6.827 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C1CCCC1 225026472 AYCZNKBIKWXXJH-YADHBBJMSA-N 423.969 5.910 0 40 HKAB CCSc1nnc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)s1 225359960 WTJPFFRRTTTYDI-UHFFFAOYSA-N 405.932 5.135 0 40 HKAB COc1cccc(CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 225553346 WBOKGNSMEQGEFY-UHFFFAOYSA-N 402.869 5.287 0 40 HKAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(Br)c(Cl)c1 225635936 HKHRKEUKRQSCHG-GFCCVEGCSA-N 413.768 5.165 0 40 HKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C(=O)OC 225681360 SLYGFTGBRXAMCI-INIZCTEOSA-N 413.489 5.240 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1cccc(Br)c1 225685698 LFBYUDBEEZPEJX-MRXNPFEDSA-N 421.360 5.047 0 40 HKAB O=C(NCCCN1CCc2ccccc21)c1cccc(OCc2ccccc2Cl)c1 225779209 YQWKLVKRESQHNF-UHFFFAOYSA-N 420.940 5.102 0 40 HKAB COc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)c(OC)c1 225848795 GLJOTPHCKXURSP-UHFFFAOYSA-N 424.488 5.479 0 40 HKAB O=C(O)c1cccc2c1N[C@@H](c1ccccc1C(F)(F)F)[C@H]1Cc3ccccc3[C@@H]21 226333996 JLYGZQVAUKMGFP-JBACZVJFSA-N 409.407 5.875 0 40 HKAB COC(=O)c1ccc([C@@H]2Nc3c(Br)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 247835258 MARHLLSOLNFFJL-OFDAHSHWSA-N 412.327 5.532 0 40 HKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](C(=O)O)CC[C@@H]4[C@@H]3CC[C@@]12C 263606771 RGDMWGKNYCFTOQ-TUCWHNMWSA-N 400.647 7.339 0 40 HKAB COc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1ccc(Cl)cc1 408572459 HENMDFSZJFISPR-UHFFFAOYSA-N 424.393 5.988 0 40 HKAB COc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)c(-c3ccccc3)s2)cc1 408722881 NZIRVMHUCSTOSZ-UHFFFAOYSA-N 416.502 5.747 0 40 HKAB O=C(O)c1cccc2c1N[C@H](c1ccc3c4c(cccc14)CC3)[C@@H]1Cc3ccccc3[C@@H]21 408997473 GRKBUWMOWVADMQ-FXVJXKIMSA-N 417.508 6.108 0 40 HKAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C1=O 409247549 DEPLCJQBIKJPAL-LICLKQGHSA-N 423.271 5.014 0 40 HKAB Cc1cc2oc(-c3cc4c(cc3C)C(C)(C)[C@H](C)C4(C)C)c(CC(=O)O)c2c(O)n1 604403972 GSAOJVUWSSPFNJ-AWEZNQCLSA-N 407.510 5.649 0 40 HKAB biogenic Cc1ccc(N2N=C(c3cc4ccccc4oc3=O)C[C@@H]2c2ccc(Cl)cc2)cc1 1775968672 KFZRRSLXTPAWOO-HSZRJFAPSA-N 414.892 6.111 0 40 HKAB O=C(Nc1cccc(-c2nnc(-c3ccco3)o2)c1)C(c1ccccc1)c1ccccc1 709296 HVKYSUIKORKVQX-UHFFFAOYSA-N 421.456 5.767 0 40 HKAB O=C(C[C@H](Sc1ccccc1)c1cc(Cl)c2c(c1)OCO2)c1cccs1 945411 ZETBMDUOKSBYOL-IBGZPJMESA-N 402.924 6.237 0 40 HKAB COc1cc([C@@H]2CC(c3cccs3)=Nc3ccccc3S2)cc(OC)c1OC 947295 AMLIAEBWUHGKQL-NRFANRHFSA-N 411.548 6.132 0 40 HKAB CCc1ccc(Oc2coc3cc(O[C@@H](C)C(=O)O[C@H](C)CC)ccc3c2=O)cc1 957147 MRCMRJZUFQRRRH-CVEARBPZSA-N 410.466 5.257 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccncc2)N2CCC(C)CC2)c1C 1298412 ZVPKOUKTJMFOHH-HSZRJFAPSA-N 419.594 5.834 0 40 HKAB CCCc1nc(SCC(=O)c2ccc(NC(C)=O)cc2)c2c(C)c(C)sc2n1 1372221 IONHIKBZFMTFBA-UHFFFAOYSA-N 413.568 5.194 0 40 HKAB CC[C@H](C)N1C(=S)SC(C)(C)[C@H]1N(O)C(=O)Nc1ccc(Cl)c(Cl)c1 1514555 RHGBDRCXORJNQS-TVQRCGJNSA-N 422.403 5.453 0 40 HKAB O=C(Nc1ccc(SC(F)F)cc1)c1cc(-c2ccccc2)nc2ccccc12 1517768 YKWXWDUZUBITNU-UHFFFAOYSA-N 406.457 6.469 0 40 HKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccc(Oc2ccccc2)c1 1748745 NKXIBZULEPHKNL-UHFFFAOYSA-N 422.509 7.008 0 40 HKAB Cc1ccccc1-n1c(SC(C)C)nc2sc3c(c2c1=O)C[C@H](C(C)C)OC3 1764894 VCDWWQGLLXFSHP-QGZVFWFLSA-N 414.596 5.353 0 40 HKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1cc(Cl)cc(Cl)c1 1934477 RLUMBRWZPNFXRZ-UHFFFAOYSA-N 414.288 5.307 0 40 HKAB CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 2062607 NDTDDFOMIVDZMX-UHFFFAOYSA-N 402.519 6.395 0 40 HKAB Clc1ccc(OCc2nnc(SCc3ccccc3)n2-c2ccccc2)cc1 2085594 NCRRLTKBJSBCAX-UHFFFAOYSA-N 407.926 5.792 0 40 HKAB COc1ccc(-c2c(C)oc3cc(OCc4ccc(C)cc4)ccc3c2=O)cc1OC 2095879 VFOUMXCASJFNBE-UHFFFAOYSA-N 416.473 5.673 0 40 HKAB biogenic COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cccc(C(C)C)c2)cc1 2326962 SVLFWGVPELFTGL-UHFFFAOYSA-N 414.505 5.275 0 40 HKAB Cc1nc2cc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)ccc2s1 2502410 JZMFEHSLZPIZBB-UHFFFAOYSA-N 406.838 5.078 0 40 HKAB CCN(C(=O)COC(=O)c1ccccc1OCc1ccccc1Cl)c1ccccc1 2635045 OCOCTWJCYNICTA-UHFFFAOYSA-N 423.896 5.129 0 40 HKAB CCCOC(=O)c1c(NC(=O)Nc2cccc(Cl)c2)sc2c1CCCCC2 2737091 ARKTUBRWMHXFEL-UHFFFAOYSA-N 406.935 5.881 0 40 HKAB CCc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)c2c3c(sc2n1)CCCC3 3305252 UXVNHAOJTNOFQP-UHFFFAOYSA-N 411.880 6.548 0 40 HKAB O=C(OCc1cccc(C(F)(F)F)c1)c1ccccc1OCc1ccc(Cl)cc1 3341584 FOJPWDHTCCFKMT-UHFFFAOYSA-N 420.814 6.295 0 40 HKAB COc1cccc(NC(=S)NCC[C@H]2[C@@H](c3c(C)[nH]c4ccccc34)C2(C)C)c1 3765645 XXNNSDUGRAXDJZ-UGKGYDQZSA-N 407.583 5.601 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cn(C)c4ccccc24)N3)C1 4109071 KZNPQXXXFLYLBR-QKKBWIMNSA-N 407.583 6.210 0 40 HKAB O=C([C@H]1CCCN(Cc2cccc(Cl)c2)C1)N1CCC(Cc2ccccc2)CC1 4177093 WIYMWUUWENZZLH-QHCPKHFHSA-N 410.989 5.033 0 40 HKAB CCc1ccc(Nc2nnc(SCC(=O)N(CC(C)C)CC(C)C)s2)cc1 6319627 RMGHEPOFRHSYIH-UHFFFAOYSA-N 406.621 5.077 0 40 HKAB CC(C)c1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccccc4Cl)nc3C2)cc1 6828847 NDKANXOTIASJBH-KRWDZBQOSA-N 419.912 5.418 0 40 HKAB Clc1ccc(-c2cnc(CSc3nnc(C4CC4)n3-c3ccccc3)o2)cc1 6985302 AGUHIDVRNSQFRO-UHFFFAOYSA-N 408.914 5.745 0 40 HKAB C[C@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CCCc2ccccc21 7159285 OQDGBKNBONCJBG-DFBJGRDBSA-N 413.517 5.022 0 40 HKAB C[C@@]12CC3CC(NCc4ccc(-c5cc(Cl)cc(Cl)c5)o4)(C1)C[C@](C)(C3)C2 7524678 XVPHWUUEUPFOJV-TURSSXEVSA-N 404.381 7.092 0 40 HKAB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2Cl)N(c2ccc(F)cc2)C3=O)cc1 9041733 SNISKIPGXUKRMW-HSZRJFAPSA-N 417.871 5.927 0 40 HKAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)c3ccccc3C(F)(F)F)ccc1O2 9134971 PGAPULLPHYOJEJ-UHFFFAOYSA-N 412.367 5.624 0 40 HKAB COc1ccc(-c2csc(N3N=C(C)C[C@H]3c3ccc(OC)c(OC)c3)n2)cc1 9419852 QDOABTCJUIARSQ-IBGZPJMESA-N 409.511 5.163 0 40 HKAB COc1cccc(Oc2ccc(N3C(=O)c4ccc5c6c(ccc(c46)C3=O)CC5)cc2)c1 9763520 SBRNCTXJUOTHDJ-UHFFFAOYSA-N 421.452 5.540 0 40 HKAB CCn1ncc2c(C(=O)Nc3cc(Cl)ccc3F)cc(-c3cccs3)nc21 10136900 RXGGHRICXGRCAZ-UHFFFAOYSA-N 400.866 5.225 0 40 HKAB O=C(c1ccccc1Cl)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 10187648 UNGZAFIOHUZGCK-UHFFFAOYSA-N 415.852 5.470 0 40 HKAB Cc1cc(-c2csc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)n2)c(C)s1 10520665 HFHJRKSBGSSPOQ-UHFFFAOYSA-N 415.565 5.175 0 40 HKAB O=c1oc2cc3oc(-c4ccccc4)c(-c4ccc(Cl)cc4)c3cc2c2c1CCC2 11691937 ICOBETNDRQZMCH-UHFFFAOYSA-N 412.872 7.015 0 40 HKAB Cc1cc(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)ccc1N1CCCC1=O 11747220 IHFZTWZACCGXJK-UHFFFAOYSA-N 411.461 5.182 0 40 HKAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NS(=O)(=O)c1ccc(C(C)C)cc1 14222582 VWTXYJCQNLEQGP-UHFFFAOYSA-N 417.962 5.126 0 40 HKAB C[C@H](NC(=O)C[C@H]1Sc2ccccc2NC1=O)c1ccc(-c2ccccc2)cc1 14241868 IMSXKIHUOFRRPA-KSFYIVLOSA-N 402.519 5.034 0 40 HKAB Cc1ccc([C@H](CNC(=O)c2sc3ccccc3c2Cl)N2CCC(C)CC2)o1 15860485 SJPDUUIUGGUBKZ-KRWDZBQOSA-N 416.974 5.659 0 40 HKAB CC[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 16758051 UEGIXXUSSQDCBZ-MRXNPFEDSA-N 407.970 6.940 0 40 HKAB O=C(C1CCCC1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373192 SMVRKGUAKSMVDC-QFIPXVFZSA-N 413.525 5.136 0 40 HKAB COc1ccc(OC)c(C(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c1 19691521 OSUXZQNUXMFPQK-HSZRJFAPSA-N 420.484 5.191 0 40 HKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(-c2ccc(CO)o2)cc1 20144940 FDJINEGSRCAHFL-UHFFFAOYSA-N 405.494 5.504 0 40 HKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1cc2ccccc2nc1N1CCCCC1 21554580 CCPSZPYGIYNLSD-RCCKNPSSSA-N 417.896 5.223 0 40 HKAB Cc1c(-c2ccccc2)sc(NC(=O)c2ccccc2)c1C(=O)N1CCCCC1 21900898 OKWKWLHBKPTJJQ-UHFFFAOYSA-N 404.535 5.602 0 40 HKAB COc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2cccc(C)c2)cc1 28288746 NOGRAFJMUXMYIA-SANMLTNESA-N 414.505 5.112 0 40 HKAB Cc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)cc1F 32578651 AYCSMYAQXMQZIM-UHFFFAOYSA-N 403.413 5.015 0 40 HKAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1)c1ccccc1 32876771 VSEDFYRGGQHCJF-WMZOPIPTSA-N 404.539 5.459 0 40 HKAB Fc1ccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1Cl 33914222 KPBTYULUNIFINO-OBNJBMLMSA-N 419.997 5.071 0 40 HKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC(C)(C)C 44899825 HBHGPMBJBTWJLN-GOSISDBHSA-N 404.963 5.378 0 40 HKAB COc1cc(OC)c(NC(=O)c2ccccc2OCc2cccc(C)c2)cc1Cl 58054099 NWDGVBKJLFRMQH-UHFFFAOYSA-N 411.885 5.497 0 40 HKAB C[C@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1cccc(Cl)c1 58245631 BJFDODWYWNZIBJ-INIZCTEOSA-N 405.885 5.058 0 40 HKAB Cc1ccc(-n2nc(-c3nc(-c4ccc(C)c(C)c4)no3)c3ccccc3c2=O)cc1 64949632 FBODINOXCDAGFE-UHFFFAOYSA-N 408.461 5.028 0 40 HKAB C[C@@H](NC(=O)c1ccccc1Oc1ccccc1)c1nc(-c2cccc(F)c2)no1 72303585 RWKWCJFPXXKKHS-OAHLLOKOSA-N 403.413 5.159 0 40 HKAB CCc1ccc(-c2nc3c(Br)c(N)c(Br)c(C)c3o2)cc1 73639353 NNSJXMKJOHDNTG-UHFFFAOYSA-N 410.109 5.473 0 40 HKAB CC(C)(C)N(Cc1ccccc1)Cc1nnc(-c2ccccc2Br)o1 79065306 VRNPMOQBNHFUHC-UHFFFAOYSA-N 400.320 5.300 0 40 HKAB O=C(Nc1ccc(F)cc1)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96038137 XDABQKCWKROMJU-UHFFFAOYSA-N 414.415 5.323 0 40 HKAB CCOC(=O)Cc1c(NC(=O)OC(C)(C)C)cc(C(F)(F)F)cc1C(F)(F)F 199816346 YRJMBSMJQHHPGB-UHFFFAOYSA-N 415.330 5.177 0 40 HKAB O=C(Nc1ccc(Br)cc1F)c1cc2cc3ccccc3nc2s1 223130173 DYKDDGKOHKHQEN-UHFFFAOYSA-N 401.260 5.603 0 40 HKAB CC(C)Sc1nnc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)s1 223723015 HZSUIBMOUVYGJQ-UHFFFAOYSA-N 419.959 5.523 0 40 HKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2C)cc1 224090642 SUUQIBXPKHXNMS-UHFFFAOYSA-N 416.587 5.049 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1ccc(Cl)cc1 224498134 ZGVSEBIKIWWDJT-UHFFFAOYSA-N 423.940 6.441 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1COCc1ccccc1 224749163 DRMZLYWOXKPEBZ-UHFFFAOYSA-N 421.493 5.072 0 40 HKAB CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc(OC)c(C)c1 225011241 IFCHBLBOYZXVNF-GOSISDBHSA-N 412.382 5.811 0 40 HKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1C1CCCCC1 225013131 JJCXYTOXQUJEFM-RPWUZVMVSA-N 422.642 5.920 0 40 HKAB O=C(c1cc(Cl)ccc1Cl)N1CCS[C@@H](c2cc(F)ccc2F)CC1 225743108 LDJJCCQBVPKSDR-QGZVFWFLSA-N 402.293 5.592 0 40 HKAB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C(=O)OCC 225798362 IORWAXYRKULMNO-UHFFFAOYSA-N 407.551 5.068 0 40 HKAB COc1ccccc1-c1ccccc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@H]3NC(C)=O 257258801 KVPKGMAXDBENPZ-YENLWOSISA-N 419.565 5.381 0 40 HKAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 408610783 UKEXKIQCXMAKDI-UHFFFAOYSA-N 422.550 5.173 0 40 HKAB Cc1cc(C)c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C)c1 408619970 FFOMKPXVIFVZSJ-RMKNXTFCSA-N 400.305 6.831 0 40 HKAB COc1ccc(Cl)cc1-c1nc(SCC(=O)Nc2ccc3ccccc3c2)n[nH]1 408639462 XGXTZKGSIYWICF-UHFFFAOYSA-N 424.913 5.018 0 40 HKAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccc(Cl)cc1Cl 408714366 PILJYMKIBLSKKO-UHFFFAOYSA-N 418.324 5.613 0 40 HKAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3ccccc3)sc2c1 408750914 UBELPWRFDIGZBR-CALCHBBNSA-N 408.548 5.268 0 40 HKAB CCc1ccccc1NCc1ccc(OCc2ccccc2F)c(Br)c1 409110344 UUYBZDNIOVABGZ-UHFFFAOYSA-N 414.318 6.342 0 40 HKAB COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Cl)c1OCc1ccc(F)cc1 409113268 HJLASIKFJWJRKO-ZDLGFXPLSA-N 409.844 5.559 0 40 HKAB CCCCN1C(=O)CC[C@@H](c2nc(-c3ccccc3F)no2)[C@@H]1c1ccc(OC)cc1 545595486 SVOVPANIXJMURL-KNQAVFIVSA-N 423.488 5.132 0 40 HKAB CCOc1ccc(C[C@@]2(C)CCc3cc(-c4ccc(C(=O)O)cc4)ccc3O2)cc1 585265384 BDGXJTZTIXYZOH-AREMUKBSSA-N 402.490 5.777 0 40 HKAB COc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CCCCC4)cc1Cl 691572 XNCNPLQUZBLTHW-UHFFFAOYSA-N 401.919 5.062 0 40 HKAB Cc1cc(C)c2nc(C(F)(F)F)nc(N3CCN(c4cccc(Cl)c4)CC3)c2c1 937298 INWFKXPRDNPKGJ-UHFFFAOYSA-N 420.866 5.245 0 40 HKAB CCOc1ccc(C(=O)Nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)cc1 1006648 YNVTWIOJBFVZBC-UHFFFAOYSA-N 422.912 5.860 0 40 HKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2)o1 1333661 VRNGLZQSSQUQRT-QHCPKHFHSA-N 422.550 5.025 0 40 HKAB Cc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 1380089 AXOVKDBXHYTBLT-NRFANRHFSA-N 408.523 5.096 0 40 HKAB Cc1cccc(C)c1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccs1 1380094 RYSAQASACZDDOA-JOCHJYFZSA-N 422.550 5.405 0 40 HKAB CCCOC(=O)c1cccc(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2)c1 1787137 GVBJHCGHJJGPII-UHFFFAOYSA-N 403.906 5.321 0 40 HKAB Cc1cc2nnc(Sc3ncnc4sc5c(c34)CC[C@@H](C)C5)n2c2ccccc12 1895235 VFSVYVZXRAMXFK-GFCCVEGCSA-N 417.563 5.472 0 40 HKAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1ccc(OC)cc1)CCCC3 1902731 RCJDLUHHFPOLCW-UHFFFAOYSA-N 420.549 6.382 0 40 HKAB biogenic O=C(Nc1ccc(C(=O)c2ccc(Cl)cc2)c(Cl)c1)c1cc(Cl)ccc1O 1950463 IKDGPQAJCQORIX-UHFFFAOYSA-N 420.679 5.836 0 40 HKAB CCCCC(=O)NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 2223324 YRRUAMPWOBFTHR-UHFFFAOYSA-N 403.960 5.620 0 40 HKAB COc1ccc(NP(=O)(Oc2cccc(C)c2)Oc2cccc(C)c2)cc1OC 2305713 ZKCWRXMUSSXWCZ-UHFFFAOYSA-N 413.410 5.999 0 40 HKAB CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1Cl 2447179 VPIBCDXEQQGHLP-UHFFFAOYSA-N 414.962 5.473 0 40 HKAB Cc1ccc(Nc2nc(CSc3nnc(-c4ccc(F)cc4)n3C)cs2)cc1 2622782 JKQRFGKAVPXWQJ-UHFFFAOYSA-N 411.531 5.422 0 40 HKAB aggregator O=C(c1c[nH]c2ccccc12)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 2658410 ZGKYQMDLHONOPU-QFIPXVFZSA-N 412.341 7.191 0 40 HKAB COc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccc(C)cc4)ncnc32)cc1 2714710 RYYBBPABLRANOW-UHFFFAOYSA-N 406.489 6.148 0 40 HKAB Cc1cc(C)cc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)c1 3012938 IWODOQXIBVYLKE-NVXWUHKLSA-N 404.392 5.006 0 40 HKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc3ccccc23)sc2c1CCCC2 3252510 DUURTPFWMKUEAY-OAHLLOKOSA-N 423.534 5.363 0 40 HKAB Cc1cccc(C(C)C)c1NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 3262522 SRDIYVAIFQIVLL-UHFFFAOYSA-N 412.769 7.546 0 40 HKAB Cc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)c2c3c(sc2n1)CCC3 3267227 SYDGKNKLJSHPJG-UHFFFAOYSA-N 424.378 5.526 0 40 HKAB CSc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3420615 SPDXHQAEPCQNCK-JTQLQIEISA-N 417.836 5.265 0 40 HKAB Cc1ccc(Sc2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 3656850 NKKCCNAQMAISMD-UHFFFAOYSA-N 421.543 5.942 0 40 HKAB CCOc1ccc([C@H]2Oc3c(OCC)cccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 4715700 BAZVQJYTTJQAQG-SQJMNOBHSA-N 418.493 5.628 0 40 HKAB CN(C)c1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)cc1 4733706 UCDDPDKEBIXRCF-UHFFFAOYSA-N 420.900 5.236 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(OCc2ccccc2)cc1 5900468 LGRGRACBYTXHIK-UHFFFAOYSA-N 405.803 6.190 0 40 HKAB COc1cc(CCC(=O)OCc2ccc(-c3ccccc3)cc2)cc(OC)c1OC 6083218 YAFPPXZYMXUSJZ-UHFFFAOYSA-N 406.478 5.055 0 40 HKAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(CSc2ccc(Cl)cc2)cc1 6232058 PBFGJYNPNOLMLR-HSZRJFAPSA-N 407.966 6.440 0 40 HKAB CC1=C(C)[C@@H](c2c(-c3ccc(C)cc3)n(C)c3ccccc23)N(C[C@H]2CCCO2)C1=O 6256126 VVKODPBZFVFIQS-BWKNWUBXSA-N 414.549 5.552 0 40 HKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cccc4ccccc34)c2n1 6549988 QHHYBKAWLAHQLQ-UHFFFAOYSA-N 411.288 6.021 0 40 HKAB CCc1cccc2c(C(=O)COC(=O)c3ccc(OCc4ccccc4)cc3)c[nH]c12 6582444 DYFOSYJWHAMXSJ-UHFFFAOYSA-N 413.473 5.349 0 40 HKAB Cc1ccc(-c2nnc(SCc3csc(C4CCCCC4)n3)n2C)c(Cl)c1 6668543 OTOOJYIWJYNPLI-UHFFFAOYSA-N 419.019 6.240 0 40 HKAB Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H]1CCSc2ccccc21 6848993 MDUAHPQCCKAOOW-IBGZPJMESA-N 410.564 5.551 0 40 HKAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1cc(-c2ccncc2)nc2ccccc12 7719013 MGLAVCCAAIDJJI-UHFFFAOYSA-N 415.468 5.107 0 40 HKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cc2)c1 7882064 IACGQHQLUNKTQD-FPOVZHCZSA-N 414.505 5.336 0 40 HKAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1-c1ncc(-c2ccccc2)o1 8367140 JOBCUNWJZCPZBA-JOCHJYFZSA-N 423.516 5.013 0 40 HKAB COc1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1Cl 8721634 MBSSXHQKTYBOAC-UHFFFAOYSA-N 418.345 6.547 0 40 HKAB Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 8892269 LBYFUYNXLLNVDF-UHFFFAOYSA-N 421.525 6.465 0 40 HKAB Clc1ccc(CSc2nc3ccccc3c3nc(-c4ccncc4)nn23)cc1 10157689 RCIRUZNXTGQEEC-UHFFFAOYSA-N 403.898 5.285 0 40 HKAB COc1ccc2nc(N(Cc3ccncc3)C(=O)/C=C/c3cccs3)sc2c1 10254291 KZMWKUOFZCMRMO-FNORWQNLSA-N 407.520 5.008 0 40 HKAB CCc1cccc(CC)c1NC(=O)c1cc(-c2cccs2)nc2c1cnn2CC 11469890 NKQJWZFRSBACSC-UHFFFAOYSA-N 404.539 5.557 0 40 HKAB Cc1cc(C(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)sc1C 12127813 YZTWXTXBNAYWGQ-UHFFFAOYSA-N 410.587 5.243 0 40 HKAB COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(F)c(F)c2)c1 12196693 KFRXGTAEPNOWOS-XUZZJYLKSA-N 422.431 5.224 0 40 HKAB O=C(O)c1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 12587741 RKVIBZJINMZPEH-UHFFFAOYSA-N 414.511 6.193 0 40 HKAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(NC(C)=O)cc2)cc1Cl 12645835 KVRYZFADESBFSK-JOCHJYFZSA-N 421.884 5.078 0 40 HKAB Cc1nc(-c2ccco2)nc2sc(C(=O)N3CCC[C@H]3c3ccccc3)c(C)c12 12764760 PWOLLEVZWVNVSC-KRWDZBQOSA-N 403.507 5.545 0 40 HKAB CSc1ccc(CN(C)C(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 12790133 SOGZVAHJPNEGHY-UHFFFAOYSA-N 415.518 5.398 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](C)SCc2nc(-c3ccccc3Cl)no2)c1 12920855 CGNMSPFRIJIDQR-AWEZNQCLSA-N 401.919 5.267 0 40 HKAB COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccc(C)cc2)cc1 13647500 NQFLDJUNJMBHKA-UHFFFAOYSA-N 412.489 5.001 0 40 HKAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2Cl)o1 13751684 RYTPEQQOLSFIHJ-WFASDCNBSA-N 411.955 5.627 0 40 HKAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)Cc1ccc(C(F)(F)F)cc1 14075266 ZCUVBVFHCDXOGB-UHFFFAOYSA-N 407.819 5.820 0 40 HKAB COc1cc([C@H]2CC(O)=Nc3sc(C(=O)Nc4ccccc4)c(C)c32)ccc1O 15106660 MIJFWONSMGDWFS-OAHLLOKOSA-N 408.479 5.147 0 40 HKAB Clc1cc2c(cc1CSc1nc(-c3ccccc3)c(-c3ccccc3)o1)OCO2 16492230 KNZMGASPCIXBRG-UHFFFAOYSA-N 421.905 6.683 0 40 HKAB Cc1cccc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1C 17093401 ZTZCGNADUDTHTQ-UHFFFAOYSA-N 422.937 6.251 0 40 HKAB CCCn1c(SCc2nc(-c3ccccc3C)oc2C)nc2ccccc2c1=O 17287334 USJHOBUZHWDIAD-UHFFFAOYSA-N 405.523 5.371 0 40 HKAB COc1cc(OC)c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1Cl 18139875 MHLKCFCBPNAUCC-UHFFFAOYSA-N 406.813 5.065 0 40 HKAB Clc1ccc(-c2n[nH]c(SCc3c(Cl)cccc3Cl)n2)c(Cl)c1 20195597 GBTAETFBAVHLQI-UHFFFAOYSA-N 405.137 6.378 0 40 HKAB O=C(Nc1ccccc1F)N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 20509688 SBESHNRUMWOLKF-LJQANCHMSA-N 422.847 5.440 0 40 HKAB COc1ccc(CN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C2CC2)cc1 21401113 IDPJEEKQCQWPEM-UHFFFAOYSA-N 410.901 5.127 0 40 HKAB O=C(Nc1ccccc1Cl)c1cccnc1Nc1ccccc1Br 22072404 KLUYKJWXCFQWRR-UHFFFAOYSA-N 402.679 5.493 0 40 HKAB Cc1cccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c1 28539295 RTMXRSBDJXFHQM-UHFFFAOYSA-N 415.496 6.525 0 40 HKAB Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccc(C(F)(F)F)cc3)o2)cc1C 29247367 JKPCRDUKVQFGLA-MRXNPFEDSA-N 416.443 5.787 0 40 HKAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCC3)no2)cc1C 32623991 NHYGVSWNVGCHNJ-QFIPXVFZSA-N 423.944 5.179 0 40 HKAB C[C@@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1nnc(-c2ccccc2)o1 32869730 UJVRGOMYUBYPDG-MRXNPFEDSA-N 422.444 5.265 0 40 HKAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 32942917 HTYKGVWZRRSULI-UHFFFAOYSA-N 416.260 5.581 0 40 HKAB CCc1cccc(C)c1Nc1c(-c2ccc(O)c(OC)c2)nc2ccc(Cl)cn12 35606562 WGEWLKACLHIREI-UHFFFAOYSA-N 407.901 5.983 0 40 HKAB COc1ccc(-c2n[nH]c(SCC(=O)c3ccc4c(c3)Cc3ccccc3-4)n2)cc1 36644200 ATXNJEOFFKPKAJ-UHFFFAOYSA-N 413.502 5.027 0 40 HKAB COc1ccc(CN(C)C(=O)Nc2ccccc2CN(C)C2CCCCC2)cc1F 40103361 OAGVFFOSLGMXCU-UHFFFAOYSA-N 413.537 5.263 0 40 HKAB O=C(NCCNC(c1ccccc1)(c1ccccc1)c1ccccc1)c1cccs1 57462813 SDCAEXLFMZYIIN-UHFFFAOYSA-N 412.558 5.060 0 40 HKAB O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1Cc1ccc(F)cc1 67259271 AQCOJNHFWFOPSK-UHFFFAOYSA-N 410.901 5.530 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1c[nH]c3ccccc13)CC2 72274635 ZSVAATNHWMJESP-HSZRJFAPSA-N 418.518 5.035 0 40 HKAB O=C([C@H](Sc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccccc1)N1CCCC1 84519349 CMHGMAZHEDEQNL-QGZVFWFLSA-N 405.445 5.038 0 40 HKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)C3CCCCC3)CC2)on1 100743788 AOTJDVTVZYUCIX-KDURUIRLSA-N 424.589 5.534 0 40 HKAB CCCCCC[C@H](O)C/C=C\CCCCCC/C(C(=O)OC)=C(/O)C(=O)OCC 104284023 UHLSVUAQNIGZDA-MXGXYSSWSA-N 412.567 5.153 0 40 HKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1 113394896 ZTEIIZTZBLTQHD-UHFFFAOYSA-N 404.510 5.250 0 40 HKAB CCCCS[Sn](CCCC)(CCCC)SCCCC 195904738 HQSHXUDCPHHLMS-UHFFFAOYSA-L 411.309 7.095 0 40 HKAB O=c1oc2ccccc2cc1-c1nc(-c2ccccc2Cl)c2cc(Cl)ccc2n1 196247465 HBYOFTMJPQEIAA-UHFFFAOYSA-N 419.267 6.377 0 40 HKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(Cl)c(C)c3)N21 222710204 MFTIKJBZPYVITI-KNXBSLHKSA-N 422.985 5.814 0 40 HKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1Cc1ccccc1 223399076 YYKXLOWYOBDFQN-RPWUZVMVSA-N 411.530 5.514 0 40 HKAB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(C)cc2)cc1 223641556 JRFWEZIBBFEDBO-UHFFFAOYSA-N 403.887 5.250 0 40 HKAB S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCCC2)nc1 223915739 WRTNFKIOOMQEPU-UHFFFAOYSA-N 412.946 5.082 0 40 HKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)c1 224242438 JTPBPJDQUFRQNE-RPBOFIJWSA-N 424.573 5.666 0 40 HKAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1cccc(Cl)c1 224487283 DJQKVYALOXDSQJ-UHFFFAOYSA-N 409.913 6.187 0 40 HKAB C[C@H](CNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 224544950 TUFLLVCPIPBHKD-MRXNPFEDSA-N 405.369 5.125 0 40 HKAB O=C(CSCc1c(F)cccc1Cl)NCc1cccc(CN2CCCCC2)c1 224647551 FXVLQUQDFAKKLH-UHFFFAOYSA-N 420.981 5.015 0 40 HKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1SCc1ccccc1 224872759 LWVQLPXKEGRRBN-UHFFFAOYSA-N 403.425 6.130 0 40 HKAB Cc1cc(NC(=O)C2(c3ccccc3)CCOCC2)ccc1OCc1ccccc1 225562236 BRKFATLVZUJNER-UHFFFAOYSA-N 401.506 5.261 0 40 HKAB CC[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccccc1C 225757346 INZGTANQUJBRTH-HSZRJFAPSA-N 406.620 6.725 0 40 HKAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2ccc(Oc3ccccc3)cc2)n1 225917902 HBUFDAHNIOHXSS-UHFFFAOYSA-N 410.477 5.882 0 40 HKAB CC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(C(F)(F)F)c2)C1 257248177 JCMGHFAGCVELND-ZCNNSNEGSA-N 411.851 5.846 0 40 HKAB COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc(Cl)c1OC(C)C 260777733 QPWATDBZBYZVIB-UPRAQXHNSA-N 417.962 5.120 0 40 HKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NCc1ccc(-c2nc3ccccc3o2)cc1 408576249 WMXAKFOOQGQWAN-BMRADRMJSA-N 420.468 6.084 0 40 HKAB CCc1ccc(OCC(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1 408623381 TTZNKXFMFDHWOY-UHFFFAOYSA-N 400.478 5.692 0 40 HKAB CCc1ccc(C2=NN(C(=O)c3ccc(C(C)(C)C)cc3)[C@@](O)(C(F)(F)F)C2)cc1 409108587 VJNIHHILTFWWAR-QFIPXVFZSA-N 418.459 5.048 0 40 HKAB CCOc1ccc(NC(=O)c2cc(-c3cccc(OCC)c3)nc3ccccc23)cc1 674784 GCTZKORLHUHOPJ-UHFFFAOYSA-N 412.489 5.952 0 40 HKAB CC[C@@H](COC(=O)Nc1ccc(Cl)cc1)N1C(=O)CS[C@H]1c1ccc(C)cc1 837057 WZMZQYOLPGWVBA-ICSRJNTNSA-N 418.946 5.250 0 40 HKAB O=C(NCc1cccs1)c1cccnc1Nc1ccc(Oc2ccccc2)cc1 1340824 ZIRISSUPUAFXPR-UHFFFAOYSA-N 401.491 5.609 0 40 HKAB O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)c1ccc(Cl)cc1 1346668 BDIQFGJKZRDOCB-UHFFFAOYSA-N 415.305 5.097 0 40 HKAB O=C(NCc1ccccc1)c1sc2cc(C(F)(F)F)cnc2c1-c1cccs1 1383344 BDGXCCLLNUINRA-UHFFFAOYSA-N 418.465 5.974 0 40 HKAB Cn1nc(-c2ccccc2)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)sc21 1398198 LWIYXPBWWJKARX-UHFFFAOYSA-N 401.413 5.573 0 40 HKAB CC1=C(C(=O)Nc2cc(C)cc(C)c2)[C@H](c2c(Cl)cccc2Cl)NC(=S)N1 1425538 PVYPKPRWJCYSPC-GOSISDBHSA-N 420.365 5.042 0 40 HKAB CCCCOc1cc(CCNC(=O)C(c2ccccc2)c2ccccc2)ccc1OC 2179052 ODGUUHCBKJOECN-UHFFFAOYSA-N 417.549 5.365 0 40 HKAB biogenic Cc1ccc2c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N2C(=O)Nc1cccc(Cl)c1 2190394 OJHGGVYPLMAQCE-AREMUKBSSA-N 418.968 7.175 0 40 HKAB CC(C)CC(=O)Nc1ccc(-c2csc(Nc3ccccc3C(F)(F)F)n2)cc1 2648712 QHUXHXDOVADXAY-UHFFFAOYSA-N 419.472 6.557 0 40 HKAB COc1ccc(OC)c(-c2csc(NC(=O)Cc3coc4cc(C)ccc34)n2)c1 2658452 JXLDQFNUTONBPX-UHFFFAOYSA-N 408.479 5.063 0 40 HKAB FC(F)(F)c1cc(C(F)(F)F)c2ccc(Sc3ccc(Cl)cc3)nc2n1 3041417 ZVISNLHWECWXBE-UHFFFAOYSA-N 408.754 6.472 0 40 HKAB CCOC(=O)N[C@@H]1Cc2ccccc2[C@H]1Sc1ncc(C(F)(F)F)cc1Cl 3048228 MWSJHMRNHUOSGT-HUUCEWRRSA-N 416.852 5.258 0 40 HKAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccccc1-c1nc2ccccc2s1 3371599 UKIGBIVLDGYEHA-UHFFFAOYSA-N 413.329 6.451 0 40 HKAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)N(C1CCCCC1)C1CCCCC1 4184401 PREUENWDVBDIAE-UHFFFAOYSA-N 417.550 5.462 0 40 HKAB CCc1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)cc1 4427088 VUHBFOBVIYJTKD-UHFFFAOYSA-N 410.399 5.230 0 40 HKAB c1ccc([C@@H]2C3=C(c4ccccc4CC3)N3c4ccccc4O[C@]34CCCC[C@@H]24)cc1 4729854 SZOCNTHWLVFMCN-HWUUJZMBSA-N 405.541 6.927 0 40 HKAB CCCCc1nc(Nc2cc(Cl)ccc2C)c2nnn(Cc3ccccc3)c2n1 4898929 SDEJUYWDMVBBSW-UHFFFAOYSA-N 406.921 5.318 0 40 HKAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1 4927906 USYTUOOETVTZPQ-UHFFFAOYSA-N 415.518 5.483 0 40 HKAB Cn1c(NC(=O)c2ccc(Cl)cc2)c(-c2ccccc2F)c(=O)c2ccccc21 5345256 RRNWGVMVOIUKMD-UHFFFAOYSA-N 406.844 5.250 0 40 HKAB Cc1sc(NC(=O)c2ccccc2)c(CN2CCC(Cc3ccccc3)CC2)c1C 6232962 YYGNBTJSRMPPEE-UHFFFAOYSA-N 418.606 6.072 0 40 HKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)COc1ccc(Cl)cc1Cl 6243381 QCNLDJYMBMKNEE-LBPRGKRZSA-N 411.354 5.399 0 40 HKAB O=C(NCCc1ccc(Cl)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 6284146 FKQUPOZSXONOFX-UHFFFAOYSA-N 416.373 6.258 0 40 HKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)c3nc4ccccc4c(C(=O)O)c3C[C@@H]12 6491335 YXDIPGYMNWXTTF-NFOQYXNHSA-N 419.565 5.350 0 40 HKAB FC(F)(F)c1cc(NC(=S)SCc2ccc3c(c2)OCO3)ccc1Cl 6513384 GPYODPISXGEPPR-UHFFFAOYSA-N 405.850 5.718 0 40 HKAB CCOc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(OCC)cc32)cc1 6600820 PTSWDQSJGGXBHB-UHFFFAOYSA-N 419.912 5.571 0 40 HKAB Fc1ccc(OCc2nnc(SCc3cc4ccccc4nc3Cl)o2)cc1 6649100 IOGRLOATQRBXBK-UHFFFAOYSA-N 401.850 5.282 0 40 HKAB COc1cc(CNC2CCCCCCC2)cc(Cl)c1OCc1ccc(F)cc1 7523377 HBSIFIRPGATVNV-UHFFFAOYSA-N 405.941 6.269 0 40 HKAB CCOC(=O)c1oc2ccccc2c1COC(=O)C1(c2ccc(Cl)cc2)CCC1 7974391 FGMWRWGAJACQOX-UHFFFAOYSA-N 412.869 5.428 0 40 HKAB COc1cc(CNCc2ccccc2)ccc1OC[C@H](O)c1cc(C)c(C)cc1C 8491108 FEDMXGHBZMNGLE-DEOSSOPVSA-N 405.538 5.023 0 40 HKAB COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc(C(=O)Nc3ccccc3)cc2)c1 8719367 NXERYDQSZQBZDA-DEOSSOPVSA-N 416.521 5.293 0 40 HKAB CCCCC1(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@H]1C 8721040 JIMPELPXBXADEI-WKWMAYMFSA-N 406.397 6.573 0 40 HKAB Cc1cc(Br)cc2c(C(=O)Nc3nccs3)cc(-c3ccccc3)nc12 8918656 CHXLIRGWHZUTNE-UHFFFAOYSA-N 424.323 5.682 0 40 HKAB Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2cccs2)N3)cc1C 9410506 QWGTYRCWKMQMIW-YOEHRIQHSA-N 420.460 5.474 0 40 HKAB Cc1ccc2ncc3c(-c4ccc(Cl)cc4)nn(-c4ccc(C)c(Cl)c4)c3c2c1 9676063 AUZCNXVDAPUTLM-UHFFFAOYSA-N 418.327 7.164 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c1 10444174 NLFRNHKVLZDDBT-XQNSMLJCSA-N 415.489 5.360 0 40 HKAB Cc1cccc(-c2c(C(=O)N3CCOCC3)c(C)nc3sc4c(c23)CC[C@@H](C)C4)c1 12772171 YMHGVUVOPONEEK-MRXNPFEDSA-N 420.578 5.177 0 40 HKAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCCC[C@H]1c1nc2ccccc2s1 12887704 HRZOVSRBTBHVAG-RDELFYGPSA-N 420.534 5.225 0 40 HKAB O=C(Nc1cccc(NC(=O)c2ccc(CSc3ccccc3)o2)c1)c1ccco1 12986149 HPXJLOLMHAWZKQ-UHFFFAOYSA-N 418.474 5.670 0 40 HKAB COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2)sc(-c2ccccc2)c1C 13564198 QZBSEDDQBIDKNI-SDNWHVSQSA-N 407.491 5.171 0 40 HKAB biogenic O=C(NCc1nc2c(s1)CCCCC2)N1c2ccccc2Sc2ccccc21 13574546 HEUSTGWDIGPINN-UHFFFAOYSA-N 407.564 5.925 0 40 HKAB C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl 13582391 HFVQDPBSKISUHV-ZDUSSCGKSA-N 414.292 5.475 0 40 HKAB Cc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccccc3Cl)C2)cc1 13810593 LGNZMKRLGZEKBY-QHCPKHFHSA-N 424.953 5.497 0 40 HKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1cccc(Cl)c1 14400881 STVPEJBRQJJNOF-INIZCTEOSA-N 405.991 5.454 0 40 HKAB COc1ccc([C@@H]2CC(=O)N(Cc3cccc(F)c3)c3ccccc3S2)cc1OC 16959792 PHAGSWMECRLJMQ-QHCPKHFHSA-N 423.509 5.613 0 40 HKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)CC 20041307 SPICBVBOTSEANE-KUHUBIRLSA-N 404.963 5.378 0 40 HKAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20106188 NMDJNNRTXQZYFR-VWLOTQADSA-N 419.613 5.024 0 40 HKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1cccc(F)c1 21005557 DZJBGWFEGZTDKK-HSZRJFAPSA-N 413.452 5.165 0 40 HKAB COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c(OC)c1 21595869 UDAQDBGUJGRMCD-UHFFFAOYSA-N 407.857 5.153 0 40 HKAB O=C(OCc1nc(-c2ccccc2)no1)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 23292202 LQZCBDONHJYEMJ-IRXDYDNUSA-N 419.506 5.364 0 40 HKAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1 32996172 PPVBMEBLPGERRD-UHFFFAOYSA-N 412.917 5.028 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 35033194 APYVEUGLZHAHDJ-BOKMIASKSA-N 404.679 6.439 0 40 HKAB biogenic CCc1sc(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)cc1C 40111860 HAIPTVFDFYSEAJ-UHFFFAOYSA-N 412.486 5.271 0 40 HKAB CC(C)(C)c1ccc(C2=NC3(CCCC3)N(C(=O)c3ccc(F)cc3)C2=S)cc1 45932906 HSIIJJFNYVTVJO-UHFFFAOYSA-N 408.542 5.666 0 40 HKAB COc1ccccc1Nc1nn(CN(Cc2cccc(F)c2)C2CC2)c(=S)s1 48365705 MYVBIGAVQXGMMU-UHFFFAOYSA-N 416.547 5.187 0 40 HKAB O=C1C2=C(CCCC2)[C@@H](N[C@@H]2CCCc3ccccc32)N1CCc1ccc(Cl)cc1 57256211 JDUZKWIQKHHAOK-RPBOFIJWSA-N 420.984 5.589 0 40 HKAB COC(=O)/C=C/c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Cl)o1 57327616 YOCUVBGFUWRGIJ-HWKANZROSA-N 409.585 5.568 0 40 HKAB Clc1cccc(-c2ccc(C3N(c4ccccc4)CCN3c3ccccc3)o2)c1 59474558 SSXGFHSLUGQJNW-UHFFFAOYSA-N 400.909 6.625 0 40 HKAB Cc1oc(-c2cccs2)nc1CN1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1 72305176 JRQMVNNRLDBFOK-IBGZPJMESA-N 408.502 5.578 0 40 HKAB S=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1cccc2nccnc12 72314566 VSJNAZFDHLMHDM-QFIPXVFZSA-N 409.518 5.178 0 40 HKAB CN(C(=O)Nc1ccccc1C(C)(C)C)[C@H](c1ccc(Cl)cc1)c1cccnc1 84284585 PIHCTWUXQPHPTB-JOCHJYFZSA-N 407.945 6.286 0 40 HKAB CCc1ccc(NCc2cc3ccc(OC)cc3n(Cc3ccc(F)cc3)c2=O)cc1 98212149 HGBULMRJQQHKLM-UHFFFAOYSA-N 416.496 5.372 0 40 HKAB Cc1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4Cl)CC(O)=C32)cc1 102532684 FBOJNTQXPUKHBD-QYBDOPJKSA-N 414.936 7.277 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1)[C@H]2O 118916426 FDGCFEWJEHAVJT-MTCCVVSYSA-N 413.001 6.018 0 40 HKAB Cc1ccc([C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1C 219265697 FHOZJOCBLRZDSY-FQEVSTJZSA-N 405.563 5.966 0 40 HKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21 222872072 OJVUBAWASZSPKD-WOJBJXKFSA-N 401.934 5.696 0 40 HKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1C 224285002 ODOHBCMRRSEEHT-RPBOFIJWSA-N 424.573 5.666 0 40 HKAB Cc1ccc(NC(=O)CCc2ncc(-c3cccc(Br)c3)o2)cc1Cl 224885842 FCBMGGPQCNKKDQ-UHFFFAOYSA-N 419.706 5.637 0 40 HKAB CCCSc1nnc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)s1 224894737 DESXKDKMLAXUFS-UHFFFAOYSA-N 415.609 5.893 0 40 HKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3C)o2)c(OC)c1 224930958 CWLADURTVOLBNA-UHFFFAOYSA-N 414.461 5.587 0 40 HKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)Nc3ccc(Cl)cc3)c2)cc1 225464539 HVQPBRKHGSWPIG-UHFFFAOYSA-N 422.981 6.677 0 40 HKAB Cc1ccc(C)c(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 225495706 SSUDINORDZUVOC-UHFFFAOYSA-N 400.522 6.106 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 225514184 ZPEFPUZTXUFQNU-UHFFFAOYSA-N 421.512 5.532 0 40 HKAB CCOC(=O)c1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1Cl 225578405 SECJBEZYYMJVNE-QGZVFWFLSA-N 418.946 5.106 0 40 HKAB COc1ccc(C(=O)N2CCC[C@@H](c3cc(-c4ccccc4)cc(C)n3)C2)c(OC)c1 257231715 GHXOLTZORAGFAZ-HXUWFJFHSA-N 416.521 5.094 0 40 HKAB COc1cccc2c1CCC[C@@H]1O[C@@H]3c4cc(C(=O)O)ccc4OC(C)(C)[C@H]3C[C@H]21 257258618 KUUHXAWDLOVXDW-QXPQREGVSA-N 408.494 5.131 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCN3CCC[C@H](C)C3)cc2)CCC(C)CC1 260818243 ZXVQFDSPLULYNX-JQJXBVGUSA-N 416.606 5.111 0 40 HKAB S=C(NCc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)cc2)cc1 408574848 MXXQALJRQIVTSR-UHFFFAOYSA-N 402.346 6.038 0 40 HKAB Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1NC(=O)c1ccccc1 408602583 DVNSQOZRJRRHHE-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(C)cc2C)c1 408694323 JAGLDZQXIJLWIC-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1 408727794 XQVRQBZCKJSTFF-UHFFFAOYSA-N 423.903 6.598 0 40 HKAB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@@H]3C2=O)cc1C 408919483 YNHRLJIJEYXMNJ-ZQFKLAOWSA-N 413.904 5.051 0 40 HKAB COc1ccc2c(Cl)c(C3=N/C(=C\c4ccccc4)C(=O)O3)sc2c1Cl 408968974 DXAQTXTWJQHHCV-XFXZXTDPSA-N 404.274 5.561 0 40 HKAB O=C(NC1CCCCCC1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409174440 UBJZZVDRJMYYSK-QJORRVHFSA-N 414.593 6.436 0 40 HKAB Cc1ccc([C@@H](NC(=O)Cc2sc(C)nc2-c2cccs2)c2ccccn2)cc1 684243275 ADKNCOPEGBDPAB-JOCHJYFZSA-N 419.575 5.332 0 40 HKAB CC(=O)c1cccc(NS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)c1 630317 QCHWJGRPSGZUSQ-UHFFFAOYSA-N 401.871 5.136 0 40 HKAB C[C@@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)Nc1cccc(Cl)c1 853647 IFLZUFIFPAYCHD-LLVKDONJSA-N 403.960 5.343 0 40 HKAB COc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccccc3)C3CCCCC3)cc2c1 879955 DWMNVSVBMGRVIS-UHFFFAOYSA-N 421.566 5.068 0 40 HKAB Cc1cccc(NC(=O)CSc2ncnc3c(-c4ccc(F)cc4)nsc23)c1C 896162 AHTLOXQNIREVBC-UHFFFAOYSA-N 424.526 5.240 0 40 HKAB COc1ccc([C@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCCCC2)cc1 935752 YBJRGVCYUGWZOG-JOCHJYFZSA-N 424.566 5.794 0 40 HKAB CC(=O)c1nn(-c2cccc(Br)c2)cc1C(=O)c1cccc2ccccc12 988018 SLENSCXTLFOTAC-UHFFFAOYSA-N 419.278 5.222 0 40 HKAB aggregator O=[P@@](Cc1ccccc1)(c1ccccc1)N(Cc1cccs1)C[C@@H]1CCCO1 1085822 NMXUPUYCUFRXLZ-IDISGSTGSA-N 411.507 5.533 0 40 HKAB Cc1sc(NC(C)(C)C)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F 1354300 VDHXZSIQBMGANJ-UHFFFAOYSA-N 409.530 5.671 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)cc1C 1514451 KAFMADCIIATLFY-UHFFFAOYSA-N 403.301 5.142 0 40 HKAB c1ccc2c(c1)ccc1sc(CCCCc3nc4c(ccc5ccccc54)s3)nc12 1802762 JDOIFGIDMCGRFJ-UHFFFAOYSA-N 424.594 7.778 0 40 HKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1 1838859 CLVJHMALBUJWMK-UHFFFAOYSA-N 406.481 5.912 0 40 HKAB O=P(NC(c1ccccc1)c1ccccc1)(Oc1ccccc1)Oc1ccccc1 1858843 DBBARJHIIBFJOH-UHFFFAOYSA-N 415.429 6.632 0 40 HKAB Cc1cc(C)c2c(COc3ccc4c(=O)c(-c5ccccc5)coc4c3)cc(=O)oc2c1 2093367 BIAQFTIESPHOTD-UHFFFAOYSA-N 424.452 5.762 0 40 HKAB biogenic O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3cccc(F)c3)cc2o1 2120692 VWQUPOTWQWDOPT-UHFFFAOYSA-N 414.388 5.285 0 40 HKAB biogenic CC(C)n1nc(-c2ccccc2)c2c(-c3ccccc3)n(-c3ccccc3F)nc2c1=O 2181196 RKKLZVRKWHKIHL-UHFFFAOYSA-N 424.479 5.636 0 40 HKAB CCCCc1ccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1 2245075 FVDPBVMLFUKUTE-UHFFFAOYSA-N 412.924 6.632 0 40 HKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@@H](C)C3 2293635 FTAPAAUTXSZOEU-CQSZACIVSA-N 414.596 5.473 0 40 HKAB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 2454410 IMXHDNRPRATINZ-UHFFFAOYSA-N 407.326 5.003 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)COC(=O)/C(=C/c1cccs1)c1cccs1 2616772 BMDHICABJUIWQB-LFIBNONCSA-N 417.939 5.494 0 40 HKAB Nc1c(C(=O)c2ccc(Cl)cc2Cl)sc2nc(-c3cccs3)ccc12 2691327 HLRRYZYNSQMKRK-UHFFFAOYSA-N 405.331 6.145 0 40 HKAB O=C(NCc1ccc(Cl)cc1)c1cccc(COc2cccc3ccccc23)c1 2750561 USWWUYUVMMJQEX-UHFFFAOYSA-N 401.893 6.002 0 40 HKAB Cc1sc2ncnc(Oc3ccc(Br)cc3Br)c2c1C 3321550 CVXVORXVGMRVCU-UHFFFAOYSA-N 414.122 5.625 0 40 HKAB CCC[C@H]1[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)[C@]1(O)CCC 4652824 FFNLFWCXKWZQKH-LUUIZIPLSA-N 420.424 6.963 0 40 HKAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)cc1 4703259 SMLOWWOFMNBETQ-UHFFFAOYSA-N 416.373 6.324 0 40 HKAB CCOc1cccc2c1O[C@@H](c1ccccc1Cl)N1N=C(c3ccc(C)o3)C[C@H]21 4715699 NGTNILZZVZVIOU-XXBNENTESA-N 408.885 5.882 0 40 HKAB CC[C@H]1CCCCN1c1cc(-c2ccccc2)nc2cc(-c3cccc(OC)c3)nn12 4980593 PZZZQXHGWQGXOV-NRFANRHFSA-N 412.537 5.841 0 40 HKAB CCC(CC)COC(=O)c1c(N)n([C@H](C)c2ccccc2)c2nc3ccccc3nc12 5100938 LMDQRZTXGVGABK-MRXNPFEDSA-N 416.525 5.369 0 40 HKAB COc1ccc2nc3c(cc2c1)c(NC(=O)c1ccccc1Cl)nn3CC(C)C 5533839 ZDKYHUGQVOSVED-UHFFFAOYSA-N 408.889 5.155 0 40 HKAB O=C(NCc1ccc(Cl)cc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 6510496 RPSMYFKXFALZRR-UHFFFAOYSA-N 405.306 5.237 0 40 HKAB CCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1 6657205 GRBIMUYTSHOUOL-UHFFFAOYSA-N 414.509 5.503 0 40 HKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2cccs2)n(Cc2ccco2)c1C 6665561 DVIMHWBSTHTXKT-UHFFFAOYSA-N 416.506 5.603 0 40 HKAB CCOc1ccc(C(=O)CN(C2=NCCCCC2)c2cccc(C(F)(F)F)c2)cc1 6870322 DGGGVFASOSCWFS-UHFFFAOYSA-N 418.459 5.766 0 40 HKAB Fc1ccc(Sc2ccc(Cl)cc2NC(=S)NCc2ccccc2)cc1 6940821 FOZBBLYBWKRTQR-UHFFFAOYSA-N 402.947 6.117 0 40 HKAB Cc1nc(S[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)n(C2CCCC2)c1C 7140266 MMMIWFFWZGHFHA-CQSZACIVSA-N 402.589 5.383 0 40 HKAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)s1 7782406 BHHIRTJZKUTQMX-UHFFFAOYSA-N 400.887 5.288 0 40 HKAB CC(C)c1ccc([C@@H](C)NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 8133602 WKJGRVQVAWFJCF-QGZVFWFLSA-N 412.961 5.193 0 40 HKAB COc1cc(CNCCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 8471419 KPQIUKFJGHAWOU-UHFFFAOYSA-N 416.348 5.913 0 40 HKAB O=C(CSCc1ccccc1)Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1 8856645 RJPYFDWZXPQSTL-UHFFFAOYSA-N 424.378 5.308 0 40 HKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cccc(C(F)(F)F)c1 9363934 AECMSPOKJBJVQI-UHFFFAOYSA-N 419.424 5.863 0 40 HKAB CCOc1ccc([C@H]2CCCN2C(=O)c2ccc(OCc3cscn3)cc2)cc1 9416890 QIYBVVHJPXFQNH-JOCHJYFZSA-N 408.523 5.098 0 40 HKAB Clc1ccc(-c2cnc(CSc3nnc(C4CC4)n3Cc3ccccc3)o2)cc1 9501438 SCCKOPDXQPFWAV-UHFFFAOYSA-N 422.941 5.805 0 40 HKAB O=C(Cc1ccc(F)cc1)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 9504666 IMZNQRRQBNBBOC-UHFFFAOYSA-N 416.477 5.361 0 40 HKAB COc1cccc2c(NC(=O)c3ccccc3F)c(C(=O)c3ccc(Cl)cc3)oc12 11865292 ZCUMFFCQCYPKFK-UHFFFAOYSA-N 423.827 5.717 0 40 HKAB biogenic CSCC[C@H](NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C)c1nc2ccccc2[nH]1 12563783 RKBDQJACWJMUJS-PMACEKPBSA-N 415.990 5.567 0 40 HKAB Cc1c(Cl)cccc1NC(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O 12608583 FMNYNLMXMLRIOS-UHFFFAOYSA-N 415.946 5.220 0 40 HKAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c12 12794290 QOIOHPLVNKVDKS-UHFFFAOYSA-N 408.811 5.079 0 40 HKAB CSc1nc(C)nc(C)c1C(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 12886766 VENHFFYQXDUVFB-UHFFFAOYSA-N 410.568 5.070 0 40 HKAB O=C(CCc1ncc(-c2ccccc2)o1)N1CCc2sccc2[C@H]1c1cccs1 12947330 HNIHLUGEJQHXFB-QHCPKHFHSA-N 420.559 5.572 0 40 HKAB O=C(Cc1c(F)cccc1Cl)N(Cc1cccs1)c1ccc2c(c1)OCCO2 13117120 HYYPBQSWRYNPOX-UHFFFAOYSA-N 417.889 5.088 0 40 HKAB O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1CSc1nc2ccccc2o1 13149895 HBZXZFWXXJNNNQ-UHFFFAOYSA-N 418.474 5.144 0 40 HKAB O=C(OCc1cccc2ccccc12)C1(Cc2nc3ccccc3s2)CCCCC1 13150388 UBQLWAXYWQQIRA-UHFFFAOYSA-N 415.558 6.686 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1nc(SCc2ccccc2)ncc1Cl 13629528 QMHIBKXYJHQIPU-UHFFFAOYSA-N 424.740 5.981 0 40 HKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(C)c(C)c3)CC2=O)c1 13750711 ZCYGBJBVXRHHFD-QFIPXVFZSA-N 409.533 5.530 0 40 HKAB Cc1ccc(-c2csc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)n2)cc1 13953614 GXXXENZMNKNMTI-UHFFFAOYSA-N 421.525 6.586 0 40 HKAB Cc1cc2c3c(c1)[C@@]1(Nc4ccccc4S1)C(=O)N3C1(CCCCCC1)CC2(C)C 14162518 PVEIGFAZAAFJIT-SANMLTNESA-N 418.606 6.487 0 40 HKAB COC(=O)C[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 14809867 ZNFGBZMKKXSFPF-HFTQHKIXSA-N 412.700 5.081 0 40 HKAB Cc1cc(C)cc(CSCC(=O)NCCSCc2c(F)cccc2Cl)c1 15225264 HAESTMYMVCXRAJ-UHFFFAOYSA-N 411.995 5.379 0 40 HKAB CCOc1cccc2c1O[C@H](c1cccc(F)c1)N1N=C(c3ccc(F)cc3)C[C@@H]21 16739442 RCKANDCEXXTAHE-XUZZJYLKSA-N 406.432 5.606 0 40 HKAB CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 17092916 QABKOTDSMXIBNW-UHFFFAOYSA-N 422.337 5.661 0 40 HKAB Cc1nnc2n1C[C@@H](c1cccc(C(=O)Nc3ccccc3Oc3ccccc3)c1)CC2 19698192 WLGJKPWTDUPKDM-NRFANRHFSA-N 424.504 5.361 0 40 HKAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 20528468 DVSVLADSPHPYPI-UHFFFAOYSA-N 418.276 6.071 0 40 HKAB Fc1ccc(-c2n[nH]c(=S)n2-c2cccc3ncccc23)cc1Br 20721879 HFBFAFQWGOSZQZ-UHFFFAOYSA-N 401.264 5.047 0 40 HKAB Cc1ccc(C(=O)C2CCN(C(=O)CCc3ncc(-c4ccccc4)o3)CC2)c(C)c1 24455550 SJMIQIHZVYFLME-UHFFFAOYSA-N 416.521 5.013 0 40 HKAB O=C(Nc1ccccc1SCc1ccsc1)c1cc(Cl)c2c(c1)OCO2 27820960 JDGHIJGZFPOIGH-UHFFFAOYSA-N 403.912 5.675 0 40 HKAB CCCCc1ccc2nc(NC(=O)c3ccc(OC)c(Br)c3)sc2c1 32119210 IZXLTSPPGSUGRD-UHFFFAOYSA-N 419.344 5.662 0 40 HKAB COc1ccc(NC(=O)CCCc2cccs2)cc1NC(=O)c1cccc(F)c1 32931493 IFYHAKODAZDTIT-UHFFFAOYSA-N 412.486 5.110 0 40 HKAB CC(C)(C)[C@H]1CCc2c(c(-c3ccc(Cl)cc3)nc3c(-c4ccccc4)cnn23)C1 35323946 KHCFYZOYZOCMCJ-IBGZPJMESA-N 415.968 6.868 0 40 HKAB C[C@H](c1nnc(-c2ccc(F)cc2)o1)N1CCC[C@H](c2nc3ccccc3s2)C1 35326260 GMZGSFXWGBIZMI-ZBFHGGJFSA-N 408.502 5.426 0 40 HKAB CCc1cc(C(=O)N[C@@H](C)c2ccccc2)c2c(C3CC3)nn(Cc3ccccc3)c2n1 36621709 XHJBGFJEXJWNQU-SFHVURJKSA-N 424.548 5.410 0 40 HKAB CC(C)(C)[C@H](NCn1nc(-c2cccs2)c2ccccc2c1=O)c1ccc(F)cc1 40149154 WNWZWVCPKXQABX-JOCHJYFZSA-N 421.541 5.599 0 40 HKAB O=C(COc1ccc(Cl)cc1)NCc1ccc(-c2ccc(Br)cc2)o1 57317021 UYBYFSQEHWKCBK-UHFFFAOYSA-N 420.690 5.058 0 40 HKAB O=C(Nc1ccccc1Sc1ccccc1)/C(=C/c1ccccc1)c1ccccc1 59241790 YHZRSCVQORYRAU-HIXSDJFHSA-N 407.538 7.017 0 40 HKAB Clc1ccc(COc2cccc(CNc3ccc(Br)cc3)c2)cc1 59472307 QBOBBBSQPFJXIQ-UHFFFAOYSA-N 402.719 6.294 0 40 HKAB CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1ccc(OCc2cscn2)cc1 65592172 QZLUUFZAQKGPOM-FQEVSTJZSA-N 413.930 5.352 0 40 HKAB O=C(CCc1ccc(F)cc1)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 72350366 QXPAEUGWFCHSIT-NRFANRHFSA-N 420.503 5.289 0 40 HKAB Cc1cccc(Nc2cccc([C@@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2)n1 72375625 KWNYPAOJLOIENT-NRFANRHFSA-N 420.944 5.478 0 40 HKAB CCc1c(Br)c(N)c(Br)c2nc(Cc3ccccc3)oc12 73642761 VMYWQSINHGHPBR-UHFFFAOYSA-N 410.109 5.088 0 40 HKAB CC(C)CCn1ccc2c(NC(=O)CCn3ccc(=O)c4ccccc43)cccc21 95474013 MUTFYUNSFFKQLU-UHFFFAOYSA-N 401.510 5.031 0 40 HKAB COc1cccc([C@@H]2C3=C(O)C[C@@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)c1 102731785 KFGYHJXYFUCIBA-AOMKIAJQSA-N 402.450 5.305 0 40 HKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913251 JQMQKOQOLPGBBE-PPBVAIQYSA-N 402.663 6.648 0 40 HKAB O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccc(F)cc1 214229353 PSMMBTYAIQMDRM-KGENOOAVSA-N 405.450 5.855 0 40 HKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)c1ccccc1 219128550 MQYUXRGBEDJJIQ-UHFFFAOYSA-N 405.497 6.078 0 40 HKAB CCCC[C@H](CC)CNC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 223420073 YSDSQJDFWLJGSU-UQBPGWFLSA-N 424.610 5.407 0 40 HKAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccccc1C 224099177 KGLZGBDSIBPAJZ-UHFFFAOYSA-N 415.411 5.854 0 40 HKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(SCC(C)C)s1 224480797 RMXOPEIGKYTUBD-MRXNPFEDSA-N 407.605 5.380 0 40 HKAB CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225745228 MLMODSNKIRNXCC-BKSPAHHJSA-N 418.622 5.357 0 40 HKAB Cc1cccc(-c2noc(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n2)c1 225813955 KVMQGVQHUDBGLO-UHFFFAOYSA-N 409.795 5.289 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCC)c2ncccc12 225908857 WZCNYNYHXPRNCA-DEOSSOPVSA-N 400.563 6.118 0 40 HKAB COc1ccccc1-c1cccc(C[C@@]2(C(=O)NCCC3=CCCCC3)CCCO2)c1 257339321 ZBGFSAQSBBXVDP-HHHXNRCGSA-N 419.565 5.461 0 40 HKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@@H](C)CCc2ccccc2)cc1 408675654 KIMSCZGSEKOIAG-FQEVSTJZSA-N 410.517 5.235 0 40 HKAB Cc1cc(O[C@H](C)C(=O)NCCSCc2ccccc2Cl)cc(C)c1Cl 408706184 WUSCIZAXCHHCQK-OAHLLOKOSA-N 412.382 5.427 0 40 HKAB CCOc1cc(-c2nc(O)c3c(C)c(C)sc3n2)ccc1OCc1cccc(C)c1 408734708 IQWIULXPDDOIGU-UHFFFAOYSA-N 420.534 5.967 0 40 HKAB O=C(CSCc1cccc(Cl)c1)NCCSCc1c(F)cccc1Cl 409024208 BPSLYVOLBMOGNB-UHFFFAOYSA-N 418.386 5.415 0 40 HKAB CC(C)Cn1c(SCc2cccc3ccccc23)nnc1-c1ccc(Cl)cc1 409094581 FBLOYPGHRJWONM-UHFFFAOYSA-N 407.970 6.700 0 40 HKAB CCOc1cc(CNc2cccc(C)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 409117130 KTJCDAJIMLIGFJ-UHFFFAOYSA-N 411.523 5.082 0 40 HKAB C[C@@H](N[C@@H]1CCCc2nc(-c3ccccc3F)sc21)c1ccc2nc(O)[nH]c2c1 675880188 YQUYCYCEMDJTQW-SJKOYZFVSA-N 408.502 5.259 0 40 HKAB Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)OCc1ccc(Cl)cc1 1616086278 ZSIIUMHVAHYSIE-UHFFFAOYSA-N 401.893 6.150 0 40 HKAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 2037846234 NBZGXTWRQJXNQU-INIZCTEOSA-N 421.447 5.045 0 40 HKAB Cc1ccc(NC(=O)Nc2cc(C)nn2-c2ccc(OC(F)(F)Cl)cc2)cc1 720149 NIOOETHYQBKVKQ-UHFFFAOYSA-N 406.820 5.301 0 40 HKAB Cc1ccc(C)c(Oc2coc3cc(O[C@H](C)C(=O)OCC(C)C)ccc3c2=O)c1 948956 MDODMCFWNLIIQK-QGZVFWFLSA-N 410.466 5.169 0 40 HKAB CCN(C(=O)Cc1c[nH]c2ccccc12)C1(C(=O)Nc2cccc(C)c2)CCCCC1 982306 UOWPCVLHQOXEGY-UHFFFAOYSA-N 417.553 5.209 0 40 HKAB COc1ccccc1NC(=S)NCC[C@@H]1[C@H](c2c(C)[nH]c3ccccc23)C1(C)C 1404486 SZVVNAMIEFMNIP-VGOFRKELSA-N 407.583 5.601 0 40 HKAB Nc1c(Br)c(Br)cc2c1-c1ccc(Br)cc1C2 1609838 XCMVDULJCORVNN-UHFFFAOYSA-N 417.926 5.128 0 40 HKAB CC(C)(C)c1ccc(Cn2cnc3scc(-c4ccc5ccccc5c4)c3c2=O)cc1 1789836 AJIDGMWHHBZDLI-UHFFFAOYSA-N 424.569 6.624 0 40 HKAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1cccc(OC)c1)CCCC3 1902811 UVVCTSLJHMZKQD-UHFFFAOYSA-N 420.549 6.382 0 40 HKAB biogenic Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc(F)cc4F)c(C)c3cc2c1C 2093144 DWRJCTQDZCRDEJ-UHFFFAOYSA-N 411.404 5.314 0 40 HKAB biogenic CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(Cl)cc3)c(C)c2oc1=O 2096446 XUURTMAPSJODKU-UHFFFAOYSA-N 414.885 5.138 0 40 HKAB biogenic CCC[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1c(C)cc(C)cc1C 2177013 JUXPMJZUKXQIHW-LDUIBRKMSA-N 409.573 6.874 0 40 HKAB CC(C)Sc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2 2249932 GYQQKFMTGCCGOK-UHFFFAOYSA-N 406.551 5.420 0 40 HKAB COC(=O)c1ccc(Oc2coc3cc(OCc4ccccc4C)ccc3c2=O)cc1 2426424 HGHQIAKKKOZEPI-UHFFFAOYSA-N 416.429 5.259 0 40 HKAB biogenic COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2c(C)cc(C)cc2C)cc1 2445745 JKCRGIJXQIHPFK-UHFFFAOYSA-N 414.505 5.076 0 40 HKAB CCC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5ccnn5C(F)F)nc4c23)C1 2798112 XGZYWCMYXQUZRW-NSHDSACASA-N 416.501 5.139 0 40 HKAB CN(C)c1cccc(NP2(=O)C=C(c3ccccc3)SC(c3ccccc3)=C2)c1 3174612 SKYOGJPPRKFUFZ-UHFFFAOYSA-N 418.502 7.187 0 40 HKAB O=C1/C(=C/Nc2ccc(O)cc2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 3223398 GKSOWPBUPAANNR-DEDYPNTBSA-N 424.378 5.051 0 40 HKAB Cc1cc(C(=O)O[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)c(C)o1 3247745 SJXIOOBCZWJQES-LJQANCHMSA-N 418.276 5.740 0 40 HKAB Cc1cc(Nc2ccc(Cl)cc2)n(CCOC(=O)c2cc(Cl)cc(Cl)c2)n1 3280118 CEDSUORZONNWSP-UHFFFAOYSA-N 424.715 5.752 0 40 HKAB Cc1ccc(-n2c(N)c(C(=O)Nc3ccc(F)c(Cl)c3)sc2=S)c(C)c1 3286642 DSGYVGAIEKSYRI-UHFFFAOYSA-N 407.923 5.512 0 40 HKAB CN(C)CCCN(Cc1cccs1)C(=S)Nc1ccc(Cl)cc1Cl 3362943 BKXNZSUAIVOLLM-UHFFFAOYSA-N 402.416 5.206 0 40 HKAB CC1=C[C@H](C)[C@H](C2OCC3(CO2)COC([C@H]2[C@@H](C)C=C(C)C[C@H]2C)OC3)[C@H](C)C1 4023506 JLEHIYGUDHRGOJ-WYFQLHHQSA-N 404.591 5.195 0 40 HKAB CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1 4150502 REFZTIFDGJBHLW-UHFFFAOYSA-N 420.896 6.579 0 40 HKAB COc1ccc(/C=C/c2nc3ccccc3n2Cc2ccc(OC)c(OC)c2)cc1 4869703 VTJCQKDJERZXFP-RVDMUPIBSA-N 400.478 5.281 0 40 HKAB CCCCOc1ccc(NC(=O)c2cc3sccc3n2Cc2ccccc2)cc1 4970957 YAFKLYADYMOALI-UHFFFAOYSA-N 404.535 6.182 0 40 HKAB CCOC(=O)[C@H](c1ccccc1)C(Cc1ccccc1)(c1ccccc1)c1ccccc1 4974325 JJUANGHYYVYICO-NDEPHWFRSA-N 420.552 6.562 0 40 HKAB CC(C)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 5254504 AIBDQQPNJGKKKO-NVQXNPDNSA-N 412.489 5.781 0 40 HKAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Nc3cccc(Cl)c3)c2C(N)=O)C1 5383721 ZGYWKNPCTJAKBK-LLVKDONJSA-N 405.951 5.295 0 40 HKAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)c1ccc2c(c1)CCC2 5396816 ZATSZSFIOIKVKU-AWEZNQCLSA-N 409.580 5.118 0 40 HKAB CCOc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1 5460650 DRZDJOJFYKJFFQ-GGAORHGYSA-N 403.913 6.235 0 40 HKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(OCc2ccccc2)cc1 5471349 OFAZDSUCURSCGK-IBGZPJMESA-N 403.522 5.969 0 40 HKAB CC[C@H](Nc1ccc(Cl)cc1C)C(=O)NN=C/C(C)=C\c1ccc(C(C)C)cc1 5953873 OAKYMHYUFYJLQB-LCNVYMBASA-N 411.977 6.168 0 40 HKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccc(OC(C)C)c4)ccc3o2)cc1C 6033466 UGMHQYUZKHWGER-UHFFFAOYSA-N 400.478 6.151 0 40 HKAB CC(C)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1 6146054 KAMVUNUPROBZOH-UHFFFAOYSA-N 412.486 5.002 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC(Cc3ccccc3)CC2)o1 8324172 YETYSELMMYQPOJ-UHFFFAOYSA-N 414.509 5.155 0 40 HKAB COc1cc(CNC2C3CC4CC(C3)CC2C4)ccc1OCc1ccc(Cl)cc1 8471465 YEHPXDGKHLCRMP-UHFFFAOYSA-N 411.973 5.842 0 40 HKAB CCOc1cccc2cc(C(=O)Nc3nnc(-c4ccc5c(c4)CCCC5)o3)oc12 9133816 APAUCXZJSNVPFJ-UHFFFAOYSA-N 403.438 5.013 0 40 HKAB O=C(CSc1nnc(-c2ccc(O)cc2)o1)c1ccc([C@H]2CC2(Cl)Cl)cc1 9145854 FWPBLPXGTXOZKI-OAHLLOKOSA-N 421.305 5.078 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 9231895 HLQCVVATJKJYMX-SNVBAGLBSA-N 417.214 5.004 0 40 HKAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)N[C@H]1CCCc2ccccc21 9464147 HCSMSTKDUFQIEX-KSSFIOAISA-N 424.595 5.016 0 40 HKAB O=C(CSc1nc2c(c(-c3cccs3)n1)CCCC2)N1CCCc2ccccc21 12173286 NGGNKQCURKSBJU-UHFFFAOYSA-N 421.591 5.155 0 40 HKAB CC(C)c1ccc(CN(C)[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)cc1 12788062 BLXAMKGCUSBCMK-HNNXBMFYSA-N 407.539 5.561 0 40 HKAB Cc1ccc(Oc2ccc(NC(=O)c3ccccc3OCc3noc(C)n3)cc2)cc1 12822995 MZGYLYGLLPDMAK-UHFFFAOYSA-N 415.449 5.310 0 40 HKAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(-c2cc3ccccc3oc2=O)cc1 12843273 CNKBFQLTQOPCRZ-UHFFFAOYSA-N 424.481 5.836 0 40 HKAB C[C@@H](SCc1csc(-c2ccco2)n1)C(=O)Nc1ccccc1C(F)(F)F 12935770 ZSSVHNMTSZVTIE-LLVKDONJSA-N 412.458 5.682 0 40 HKAB O=C(/C=C/c1ccccc1Cl)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 13109194 NNKKGPRBXRYYMB-ZHACJKMWSA-N 422.893 5.062 0 40 HKAB CC[C@](C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)(C(=O)c1ccccc1)c1ccccc1 13406104 WIASCYIKGZAQQR-VYRPMTAESA-N 406.566 6.221 0 40 HKAB biogenic Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)cc3)n2)c(C)c1 14609433 MHKVSXCLPYGOBZ-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB O=C(Nc1ccc(Br)cc1Cl)c1cc(Br)ccc1Cl 14785348 OODLPMKGEIHHGU-UHFFFAOYSA-N 423.919 5.771 0 40 HKAB Cc1ccc(-c2[nH]nc3nc(-c4ccc(Br)cc4)cc(C(=O)O)c23)cc1 15677200 YDLSJRFAMZMNCS-UHFFFAOYSA-N 408.255 5.061 0 40 HKAB Cc1ccc(C(=O)c2oc3cc(NC(=O)c4ccc(Cl)cc4)ccc3c2C)cc1 15729365 WUTSLGBDBKAAPZ-UHFFFAOYSA-N 403.865 6.186 0 40 HKAB biogenic O=C1CCCC(=O)C12Cc1ccc(Cl)cc1N1CC[C@@H](Cc3ccccc3)C[C@@H]12 16957421 PGQBPMVSBPQSQY-PGRDOPGGSA-N 407.941 5.032 0 40 HKAB CCOc1ccc(CCC(=O)Nc2ccc(Br)c(C)c2)cc1OCC 20481336 VBSVTECRZBWTFK-UHFFFAOYSA-N 406.320 5.126 0 40 HKAB CC1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1 21798128 XQIGEOMUONJGRD-UHFFFAOYSA-N 402.929 5.977 0 40 HKAB Fc1ccc([C@H]2C(CN3CCOCC3)=C(c3cccs3)Oc3ccccc32)cc1 25178220 UVKUZTAQONESKM-HSZRJFAPSA-N 407.510 5.155 0 40 HKAB O=C1CS[C@@H](c2ccc(-c3cc(Cl)ccc3Cl)o2)N1Cc1cccnc1 27061482 PBXHBYOAPGCINZ-IBGZPJMESA-N 405.306 5.423 0 40 HKAB Cc1ccc2c(C)c(C(=O)NC[C@@H](c3cccs3)N3CCCCCC3)oc2c1C 28293711 VJRPKHBZGIOMGW-FQEVSTJZSA-N 410.583 5.767 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 30751022 MLZGHHUIFLEZCO-SFHVURJKSA-N 407.819 6.308 0 40 HKAB Cc1cccc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c1C 30756875 LUHLBSGSLZUTKI-OAHLLOKOSA-N 412.382 5.427 0 40 HKAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)C1(c2ccccc2)CCCC1 32103730 RHCDWJVJMAQIBD-UHFFFAOYSA-N 413.477 5.349 0 40 HKAB Cc1ccc(C2=NN3[C@H](c4ccc(C(F)(F)F)cc4)Oc4ccccc4[C@H]3C2)cc1 36389983 NWJZJHDDJVTZBA-GGAORHGYSA-N 408.423 6.256 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2cccc3ccccc23)[nH]n1 44838313 JFDIDDOMXZQAMJ-UHFFFAOYSA-N 415.802 6.154 0 40 HKAB O=C(Nc1cccc(COC[C@@H]2CCCCO2)c1)N1CCC[C@@H]1c1ccsc1 47627395 NRCAOKMTUMDDNM-LEWJYISDSA-N 400.544 5.203 0 40 HKAB COc1cccc2c1N(Cc1csc(N(C(C)=O)c3ccc(C)cc3)n1)CCC2 58402423 BXVOZGKBOVKFQH-UHFFFAOYSA-N 407.539 5.098 0 40 HKAB CC[C@H](NC(=O)Cc1csc(COc2ccc(C)cc2)n1)c1cccc(Cl)c1 58690420 UADLDSIFMMJWAK-FQEVSTJZSA-N 414.958 5.494 0 40 HKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cccc(C)c3C)oc12 67295621 JHEMDIGSYBNBFB-RFBIWTDZSA-N 413.477 5.246 0 40 HKAB COc1cccc(CNc2cc(C(=O)O)ccc2Cl)c1OCc1ccccc1C 95472048 IXZVXTSTYHQMJS-UHFFFAOYSA-N 411.885 5.546 0 40 HKAB CCCNC(=O)c1cc2ccc(-c3ccc(C(F)(F)F)cc3)cn2c1-c1cocn1 96155503 MNDSWHWBHPPVSF-UHFFFAOYSA-N 413.399 5.420 0 40 HKAB O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccc2ncsc2c1 96358102 UAGJIUUGIXGEIN-UHFFFAOYSA-N 418.503 5.251 0 40 HKAB COc1ccc([C@@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)cc1OC 100091224 YGIWWNQKNDJMQR-DEOSSOPVSA-N 401.487 5.954 0 40 HKAB CC(=O)Oc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)c1 101597381 GNJZNASHLTUSAU-DEOSSOPVSA-N 418.493 5.424 0 40 HKAB CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccs1 101999031 NXBRRPKRMDYMLM-QHCPKHFHSA-N 408.567 6.587 0 40 HKAB OC1=C2C(=Nc3nc4ccccc4n3[C@@H]2c2cccs2)C[C@H](c2ccc(F)cc2)C1 102889780 YHSUZALENUYFEY-NPMXOYFQSA-N 415.493 6.302 0 40 HKAB CSCC[C@H](NC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1nc2ccccc2[nH]1 103466312 SDYSENWGZFCRNT-UOHKRCFCSA-N 418.006 5.051 0 40 HKAB O=C(Nc1cccc(Cl)c1N1CCCCC1)C(c1ccccc1)c1ccccc1 107645754 ONHJLVXQEGRGPZ-UHFFFAOYSA-N 404.941 6.101 0 40 HKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1 224198636 VXEZKNSLHFFMIX-XZOQPEGZSA-N 414.534 5.010 0 40 HKAB C[C@H](NC(=O)c1ccccc1-c1ncc(-c2ccccc2)o1)c1ccc(Cl)cc1 224896570 JGTHDTLVPTURBI-INIZCTEOSA-N 402.881 6.153 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224960573 DBDFJCJXWSCDME-UHFFFAOYSA-N 423.299 6.876 0 40 HKAB COc1ccc2c(c1)[C@@H](NC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C)CC(C)(C)O2 225305680 JPDZXAAHQDFXQN-UTKZUKDTSA-N 411.542 5.313 0 40 HKAB CC(C)c1ccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 225533024 VUMYFXHEPWFZOW-UHFFFAOYSA-N 408.542 6.015 0 40 HKAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(Br)c(C)c1 225703280 DGWVREVRICJWGA-GOSISDBHSA-N 405.361 5.130 0 40 HKAB CC[C@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 253504136 CSVWWLUMXNHWSU-NEAWXRJUSA-N 414.718 7.881 0 40 HKAB biogenic,in-vitro CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)C3CCCC3)CC2)n1 257292207 QKLRLFDAZOISQQ-KESTWPANSA-N 406.574 5.242 0 40 HKAB COc1cc(C(=S)NCc2ccccc2Cl)ccc1OCc1ccc(F)cc1 408577454 SPMQTOLYBRVBFA-UHFFFAOYSA-N 415.917 5.532 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2cccc(Cl)c2)cc1 408696352 AEMPMYLGZASZSP-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(C)cc2C)c1 408698660 QZSMEASUVOXDEG-UHFFFAOYSA-N 400.457 5.251 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccc(C)c(Cl)c2)cc1 408699315 SULWJFCPUBENNP-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(Cl)cc2)C1=O 408800093 KJNSRCQVHRGALU-CVMPDPLCSA-N 411.978 6.394 0 40 HKAB Cc1cccc(COc2ccc(/C=C3\S[C](Nc4ccccc4F)NC3=O)cc2)c1 408806084 APJONNGMTNBHTG-UHFFFAOYSA-N 419.501 5.476 0 40 HKAB Cc1cccc(NC(=O)COc2ccc(Cl)cc2CNc2ccc(Cl)cc2)c1 409179752 NNKKNRIEEKHWLI-UHFFFAOYSA-N 415.320 5.931 0 40 HKAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccccc1C 409377992 LHVKIAHXZJIJHC-UHFFFAOYSA-N 408.473 5.162 0 40 HKAB CC(=O)N1CCCCCCCCN(C(=O)Cc2ccccc2F)Cc2ccccc21 643553383 PXRHKRAXCTYXBB-UHFFFAOYSA-N 410.533 5.104 0 40 HKAB CC(C)CC(=O)N1CCCCCCCCN(C2CCOCC2)Cc2ccccc21 643558390 CUCPLOZCCMDMNB-UHFFFAOYSA-N 400.607 5.401 0 40 HKAB CCc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 800254 PGLNMMDLCRWFHV-GOSISDBHSA-N 424.488 5.006 0 40 HKAB CCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2F)c2ccccc2)C[C@@H]1C 822386 WJMKAUYKXYKQFP-MHECFPHRSA-N 416.496 5.749 0 40 HKAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3)n2-c2ccccc2)cc1 868890 VTGHFPGDXZEZII-GOSISDBHSA-N 414.534 5.362 0 40 HKAB CCOC(=O)c1cc(CC)sc1NC(=O)CCCOc1ccc(Cl)c(C)c1 1787200 KGMGRCXIGNFAKG-UHFFFAOYSA-N 409.935 5.247 0 40 HKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccccc4)c3)nc2c1 1861706 UAZUVFVGIKMIEM-HNNXBMFYSA-N 404.897 6.914 0 40 HKAB C[C@@H]1CCc2c(sc3ncnc(SCc4cccc(Br)c4)c23)C1 1915518 LXRKVFCSVXDODU-LLVKDONJSA-N 405.386 5.871 0 40 HKAB COc1ccc([C@@H](C)NCC[C@@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1 2114767 ZQFNXXNYOCDXTL-DFHRPNOPSA-N 417.593 6.664 0 40 HKAB biogenic COc1ccccc1[C@H](CCNC(=O)c1cccs1)c1ccc(OC(C)C)cc1 2251248 HLMIZRYOLYFCRC-HXUWFJFHSA-N 409.551 5.496 0 40 HKAB CCOc1ccc(-n2c(SCc3cc(C)ccc3C)nc3c(c2=O)SCC3)cc1 2719917 FHVYSAUVORDLBN-UHFFFAOYSA-N 424.591 5.189 0 40 HKAB O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccc(OC(F)(F)F)cc1 2722796 PEOPEVLILBYEKZ-UHFFFAOYSA-N 419.384 5.005 0 40 HKAB Cc1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)n(-c2ccccc2)n1 3236413 CTYFXKKYHCUDSH-UHFFFAOYSA-N 410.502 5.710 0 40 HKAB O=C(CSc1ncnc2ccccc12)Nc1ccccc1Sc1ccccc1 3253889 LGBGJLUNGSHVIZ-UHFFFAOYSA-N 403.532 5.512 0 40 HKAB CCn1c2ccccc2c2cc(NC(=O)Cc3coc4cc5c(cc34)CCC5)ccc21 3347020 DQABFDSUDPSSPF-UHFFFAOYSA-N 408.501 6.231 0 40 HKAB CC1=C2C[C@@H]3[C@@H](CN4CC=C(c5ccc(F)cc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 4073532 IZOZKBXFTWQRFR-HLMLHLEXSA-N 409.545 5.373 0 40 HKAB biogenic COc1ccccc1-c1csc(NC(=O)c2ccc(Cc3ccccc3)cc2)n1 4075723 ZONWXBKCRBPSDT-UHFFFAOYSA-N 400.503 5.662 0 40 HKAB Cc1ccc(C)c(NC(=O)c2c(-c3ccccc3)csc2NC(=O)CC(C)C)c1 4602971 HKOIMYGBCPGVGJ-UHFFFAOYSA-N 406.551 6.269 0 40 HKAB CCCCC(=O)N1c2ncnn2[C@@H](c2ccccc2Cl)C[C@H]1c1ccc(OC)cc1 4816876 KIMPHEXPKUOECP-LEWJYISDSA-N 424.932 5.198 0 40 HKAB CCCCN(C(=O)/C=C/c1ccccc1)c1nnc(-c2ccc(OC)c(OC)c2)s1 4881159 KDTKILCRBVJSAV-SDNWHVSQSA-N 423.538 5.069 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)c1cc2sccc2n1Cc1ccccc1 4970990 LVDNZLORWBODCC-UHFFFAOYSA-N 401.318 6.310 0 40 HKAB CC(C)CCC[C@H](C)NC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc12 5478227 HXDKGWMHNCZTHM-KRWDZBQOSA-N 415.541 5.101 0 40 HKAB O=C(NCCCCCCNC(=O)Nc1ccccc1Cl)Nc1ccccc1Cl 5514978 HOZWSDGENMHSNJ-UHFFFAOYSA-N 423.344 5.497 0 40 HKAB COc1cccc2c1O[C@@H](c1ccc(SC)cc1)N1N=C(c3cccs3)C[C@H]21 5547611 FPNIYRJNWXBKMF-GCJKJVERSA-N 408.548 5.721 0 40 HKAB Cc1ccc(NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)c(C)c1 5961404 REZOVNSLTFSTPL-UHFFFAOYSA-N 404.560 6.458 0 40 HKAB Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)[C@H]2CCCc3ccccc32)o1 7583101 RJPFLASGSBDRLI-FQEVSTJZSA-N 400.482 5.209 0 40 HKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1C 7927991 DKSDXJCZLLVTME-LJQANCHMSA-N 400.478 5.087 0 40 HKAB Cc1ccccc1C(=O)N(Cc1ccccc1)c1nc2c(C(C)C)cccc2s1 8133382 OBTDUDIBESPKJG-UHFFFAOYSA-N 400.547 6.575 0 40 HKAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2ccc(N3CCCCCC3)o2)S1 8277599 FWIILXSUBHSMQY-QGOAFFKASA-N 415.946 5.513 0 40 HKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccncc5)nc4c3)o2)cc1C 8319645 RQFJZZSUDGDULH-UHFFFAOYSA-N 409.445 6.019 0 40 HKAB Cc1ccc(C)n1N(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1 8475543 MNKNWTSEYZLZEI-UHFFFAOYSA-N 407.728 6.044 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 8902929 VUQCKZAJDUTXBZ-UHFFFAOYSA-N 400.478 6.269 0 40 HKAB COc1ccc([C@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2c2ccccc2)cc1 9110379 ZJJBVIYPTSSIOF-QHCPKHFHSA-N 415.880 5.489 0 40 HKAB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(Br)cc3)[nH]2)cc1 9199357 CGLLWMIJZVDQKA-UHFFFAOYSA-N 402.361 5.824 0 40 HKAB Fc1ccc(OCc2nc(CSc3nc(-c4cccs4)n[nH]3)cs2)cc1 9336641 YUXKVYAVPDFTJT-UHFFFAOYSA-N 404.517 5.000 0 40 HKAB Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccccc3s2)cc1 9450036 NCOCULQASFGKQM-OAQYLSRUSA-N 424.481 5.461 0 40 HKAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc(NC(=O)C2CC2)cc1 9871956 ULCNPOXXIFETQZ-UHFFFAOYSA-N 403.463 5.157 0 40 HKAB Cc1cccn2cc(COc3ccccc3C(=O)Nc3ccc(OC(F)F)cc3)nc12 10388157 NMCDRWQZZSJQTG-UHFFFAOYSA-N 423.419 5.075 0 40 HKAB CCc1sc(C(=O)OCc2csc(-c3cccc(OC)c3OC)n2)cc1C 10669103 OOKLFOMPQPCUOU-UHFFFAOYSA-N 403.525 5.117 0 40 HKAB O=C(NCCc1ccccn1)c1cc(-c2cccc3ccccc23)nc2ccccc12 12555134 VMJNKYMCRVWFPC-UHFFFAOYSA-N 403.485 5.423 0 40 HKAB Cc1ccc(-c2csc3ncnc(NS(=O)(=O)c4cc(C)c(C)c(C)c4)c23)cc1 12637657 HLKNMIQRSAPPKQ-UHFFFAOYSA-N 423.563 5.393 0 40 HKAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3c(C(C)C)cccc3C(C)C)c12 12748507 LQOCVNLYEFZRFB-UHFFFAOYSA-N 403.482 6.290 0 40 HKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1Oc1ccc(C)cc1 12822077 YPNCNWOHORHDTB-XMMPIXPASA-N 412.489 5.690 0 40 HKAB CC(C)(C)NC(=O)c1sc2c(NC(=O)COc3ccccc3)cccc2c1Cl 12843653 WBNOLDCDXQRNTK-UHFFFAOYSA-N 416.930 5.101 0 40 HKAB CC(C)Cc1cc(-c2nnc3sc(-c4ccc(-c5ccccc5)cc4)nn23)n[nH]1 13719908 HRCQBPRGGLASSY-UHFFFAOYSA-N 400.511 5.108 0 40 HKAB CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)nc2c1 13941949 LBNRZDGJDKRTJD-UHFFFAOYSA-N 421.294 6.072 0 40 HKAB Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1csc2c1CCCC2 17088431 XLDPTMGZRTVNMY-UHFFFAOYSA-N 410.395 6.022 0 40 HKAB C[C@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)c1ccc(Cl)cc1 17959836 LWMNPMPIDLDCPV-INIZCTEOSA-N 405.885 5.058 0 40 HKAB COc1ccc(C)cc1CN1CCC[C@H](c2cc(C(F)F)c3c(C)noc3n2)C1 19133439 SKLNZDQZGONJHJ-HNNXBMFYSA-N 401.457 5.165 0 40 HKAB c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCN(Cc4cccnc4)C3)n2)cc1 19373145 BWRFYSVINZBTPI-JOCHJYFZSA-N 422.536 5.057 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 20459707 ULHCQWJFFJZRGV-GOSISDBHSA-N 423.534 5.363 0 40 HKAB COc1cccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4OC)ccc3o2)c1 21579151 IGSLLYQRSLFGAD-UHFFFAOYSA-N 408.841 5.418 0 40 HKAB O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Nc1ccc(Br)cc1 22072728 GTNVXXKAQBEMAX-UHFFFAOYSA-N 420.669 5.633 0 40 HKAB COc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1Cl 28251641 BKWLLYRKYMKKML-UHFFFAOYSA-N 407.322 5.098 0 40 HKAB Cc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)cc3)c3ccccc23)cc1 28535349 GMXDXHWERRKPRZ-UHFFFAOYSA-N 403.869 5.126 0 40 HKAB O=C(Nc1ccc(-c2cc3ccccc3o2)cc1)[C@H]1CCCN(C(=O)c2ccco2)C1 32902436 SPMKNCNMGNSKBF-IBGZPJMESA-N 414.461 5.184 0 40 HKAB O=C(Nc1ccncc1)c1cc(-c2ccccc2)nc2onc(-c3ccccc3F)c12 36618528 RTUGTUHUNFTRHB-UHFFFAOYSA-N 410.408 5.343 0 40 HKAB CCCOc1ccccc1CCCNC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 44851643 KUVDLDSWCYFJPX-OAQYLSRUSA-N 408.586 5.070 0 40 HKAB COc1cc2c(cc1OC)[C@H]1c3ccccc3N[C@H](c3cccc(Cl)c3)N1CC2 57731801 DZRJWVIGUKIGBT-RPWUZVMVSA-N 406.913 5.429 0 40 HKAB Cc1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)o2)cc1 59179498 UKMUSZJOXJHMTJ-UHFFFAOYSA-N 411.527 5.120 0 40 HKAB COc1ccc(Cn2c(SCc3cc(F)cc(F)c3)nc3ccccc3c2=O)cc1 67258836 XBHDUZVPHDVIPH-UHFFFAOYSA-N 424.472 5.024 0 40 HKAB COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)CCCc3ccccc3)n2)c1 72358261 UULAEMQIPCAQKB-AREMUKBSSA-N 414.549 5.367 0 40 HKAB CCCOP(=O)(OCCC)c1nc(Cc2cccc3ccccc23)oc1NCC 80345681 XQHKRAWLDZPTLY-UHFFFAOYSA-N 416.458 5.522 0 40 HKAB COc1ccc([C@@H]2C3=C(O)C[C@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc1 102728095 JNYPVTWPHZPOGB-ZHRRBRCNSA-N 402.450 5.305 0 40 HKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1cc(C(F)(F)F)[nH]n1 118926580 CLAGQRWCTZRCME-YTROQARVSA-N 408.508 5.836 0 40 HKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2C)o1 222895169 LNNMRQZUBUZCMF-NHCUHLMSSA-N 411.958 5.686 0 40 HKAB CC[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(OC)c(C)c1 224068161 FVUGGYFQKPXZOD-JOCHJYFZSA-N 423.940 6.117 0 40 HKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 224225004 UBULTFAISMNJRQ-RUZDIDTESA-N 420.597 5.102 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccc(C)c(C)c1 224619628 BDNIHDFBGSEVKV-UHFFFAOYSA-N 403.522 6.150 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1COC(C)C 224717733 DBGRQGZXLGPDPC-UHFFFAOYSA-N 405.494 6.055 0 40 HKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)ccc1F 224888955 GNKGWPJWCIJMOJ-MSOLQXFVSA-N 403.935 5.421 0 40 HKAB CC(C)n1c(=O)sc2cc(NC(=O)CCc3ccc(Cl)cc3Cl)ccc21 225181963 GIXRYJQYUXOLPL-UHFFFAOYSA-N 409.338 5.522 0 40 HKAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)s1 225334824 TWDZDUZDNAEBQT-NHCUHLMSSA-N 409.580 5.416 0 40 HKAB O=C(NCCc1ccccc1)c1ccccc1NC(=O)C1(c2ccccc2)CCCC1 225512675 YAIKCQGDJVLXFO-UHFFFAOYSA-N 412.533 5.110 0 40 HKAB CC[C@@H](CNC(=S)Nc1ccc(CSc2ccccc2)cc1)Cc1ccccc1 225631199 BKSYJMVIQFLQSB-HXUWFJFHSA-N 420.647 6.534 0 40 HKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1snnc1-c1ccccc1 225760732 COROTZAEFKPHMH-UHFFFAOYSA-N 407.882 5.903 0 40 HKAB Cc1cc(Cl)ccc1NC(=O)c1snnc1-c1ccc(Br)cc1 225783655 GHZOKTYYUVJZHZ-UHFFFAOYSA-N 408.708 5.182 0 40 HKAB Cc1cc(N)c(NC(=O)c2ccc(-c3ccc(Br)c(C)c3)o2)cc1Cl 226348560 NJULIULVQORGIG-UHFFFAOYSA-N 419.706 5.814 0 40 HKAB C[C@H](NC[C@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 245240039 KARZSFYUDKYCEY-RNDDGGPQSA-N 401.635 5.554 0 40 HKAB CCOc1ccc(C2=NN3[C@H](c4ccsc4)Oc4c(OC)cccc4[C@H]3C2)cc1 248256312 SSWOYWYZAORXFQ-OFNKIYASSA-N 406.507 5.398 0 40 HKAB CCc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@H](C)[C@H]4C)ccc32)c1-c1ccccc1 253564883 HARLZKCNLRHXDY-CSODHUTKSA-N 400.526 5.271 0 40 HKAB Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3C)n2)c1C 408699636 VIZBLRHQIWXTMO-UHFFFAOYSA-N 414.484 5.559 0 40 HKAB COc1cc2c(cc1C)-c1nc(NC(=O)c3ccc(Cl)cc3Cl)sc1CC2 409051011 GSKZVOMSSHYNRJ-UHFFFAOYSA-N 419.333 5.785 0 40 HKAB O=C(Oc1ccc(Oc2ccc(-c3noc(-c4ccco4)n3)cc2)cc1)c1ccco1 718988 DNLJYKMXXYZNGY-UHFFFAOYSA-N 414.373 5.601 0 40 HKAB O=C(Nc1ccc2ccccc2c1)/C(=C\c1ccccc1F)NC(=O)c1ccccc1 850943 GWTGEBSJZCERFX-JJIBRWJFSA-N 410.448 5.389 0 40 HKAB O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1cccc(C(F)(F)F)c1 852456 BXCGKVYPXLXRRB-UHFFFAOYSA-N 413.808 5.140 0 40 HKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1c1ccccc1 1448243 FCPKLAFQEHYQCW-SFHVURJKSA-N 401.897 5.259 0 40 HKAB O=C1c2ccccc2N[C@@H](c2ccc(Cl)cc2Cl)N1c1ccc2ccccc2c1 2057309 OEXATDKVNYYYPW-HSZRJFAPSA-N 419.311 6.918 0 40 HKAB COc1ccc(OC)c([C@@H](O)P(=O)(OC2CCCCC2)OC2CCCCC2)c1 2349376 HWJMPIBBUPXZRY-NRFANRHFSA-N 412.463 5.586 0 40 HKAB COc1cccc(N(C(=O)CSc2ccccc2)c2nc3ccccc3s2)c1 2662975 UGGSDFIQLZDZQW-UHFFFAOYSA-N 406.532 5.762 0 40 HKAB FC(F)Oc1ccc(NC(=S)NCCc2ccc(Cl)cc2)c(OC(F)F)c1 3228733 MEMPMXHFZMEOPO-UHFFFAOYSA-N 422.831 5.072 0 40 HKAB Cc1ccc(Nc2c(S(=O)(=O)c3ccc(C)cc3)cnc3ccc(C)cc23)cc1 4193544 JQFLVVWHAZABJG-UHFFFAOYSA-N 402.519 5.736 0 40 HKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2c1 4503177 TXMDAAPZYIVMEA-UHFFFAOYSA-N 407.300 6.769 0 40 HKAB CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCC2 4503284 HWRYTXFTIUYUNP-UHFFFAOYSA-N 420.534 5.449 0 40 HKAB O=P1(OCCCCO)Oc2ccc3ccccc3c2-c2c(ccc3ccccc23)O1 4550793 KWYFSUNNYQJGRS-UHFFFAOYSA-N 420.401 6.328 0 40 HKAB CCN(CC)C(=O)Oc1ccc2oc(=O)cc(-c3cc4cccc(OC)c4o3)c2c1 4586181 FNSAJKHBILEVHI-UHFFFAOYSA-N 407.422 5.055 0 40 HKAB biogenic COc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3ccc(Cl)cc3)c3ccccc32)cc1 4601038 RTFXUKXUBCSQOZ-AREMUKBSSA-N 419.952 6.484 0 40 HKAB Cc1cccc(OCC(=O)Nc2nnc(C(c3ccccc3)c3ccccc3)s2)c1 4648746 XUUPGNGVJXYWLF-UHFFFAOYSA-N 415.518 5.044 0 40 HKAB O=C1C(Nc2ccc(Cl)cc2)=C[C@@H](c2ccc(F)cc2)N1c1ccc(Cl)cc1 4854539 QDCUEEZQNMNPOH-NRFANRHFSA-N 413.279 6.216 0 40 HKAB Cc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2ccccn2)c1 4920509 RRGIYPPHSXXQQJ-UHFFFAOYSA-N 414.578 5.621 0 40 HKAB Cc1nnc(S[C@@H](C)C(=O)c2ccc(Br)cc2)n1C1CCCCC1 4925189 ALIQVSCEHMILCK-LBPRGKRZSA-N 408.365 5.218 0 40 HKAB Cc1ccc(C)c(CSc2nnc(CCCCCNC(=O)OC(C)(C)C)o2)c1 5047497 GXFVHOJDCSFKSS-UHFFFAOYSA-N 405.564 5.216 0 40 HKAB O=C(COc1ccc2c(c1)[nH]c1ccccc12)Nc1ccc(Br)cc1F 5498124 UBGCCLXMOFEKKT-UHFFFAOYSA-N 413.246 5.240 0 40 HKAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccccc2-c2nc3ccccc3s2)[C@@H]1C 6586404 ZTZXEWQQNLXIIA-GPMSIDNRSA-N 422.550 5.061 0 40 HKAB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C2=O)c1 6967205 JZZGZGWLSAGBBS-ZVHZXABRSA-N 413.521 5.112 0 40 HKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1 7072968 IUMMGBGSPRMTMW-QGZVFWFLSA-N 405.542 5.159 0 40 HKAB COc1cc(/C=C(\c2nc(C)cs2)c2nc3ccccc3n2C)cc(Cl)c1O 7136423 ZYFOJLOPCKNGKZ-ZSOIEALJSA-N 411.914 5.295 0 40 HKAB CCOc1cc(CNCc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1 7538421 CTGAVMOCCILPGV-UHFFFAOYSA-N 411.929 5.616 0 40 HKAB Cc1cc2oc(C(=O)Nc3cccc(-c4nc5ccccc5o4)c3)c(C)c2cc1Cl 8586774 YJCMCYUNUPJDKS-UHFFFAOYSA-N 416.864 6.764 0 40 HKAB CCn1c(Sc2c(-c3ccccc3)c3ccccc3[nH]c2=O)nnc1-c1ccccc1 8825363 PEIWISIPGOPPDW-UHFFFAOYSA-N 424.529 5.625 0 40 HKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(NC(=O)c3ccco3)ccc2C)c1 9226489 LUOARIIXWLJPQF-UHFFFAOYSA-N 406.482 5.290 0 40 HKAB COc1cccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc(F)cc2)c1 9347869 LVTPWCKTTCVTER-UHFFFAOYSA-N 423.827 5.513 0 40 HKAB COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(Cl)cc3)cc2O)c1 9409916 NAUBOKWOENJSHK-UHFFFAOYSA-N 422.868 5.816 0 40 HKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3Cl)C3CCCCC3)cc2c1 9461166 UHFLMIIUUADMAE-UHFFFAOYSA-N 408.929 5.465 0 40 HKAB Fc1ccc(-n2ncc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc32)cc1 9518691 MCMNOBKMMSSHAL-UHFFFAOYSA-N 411.440 5.277 0 40 HKAB CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccccc3C)n2)cc1 12442157 XDHKXUXAORJGBL-UHFFFAOYSA-N 418.522 5.264 0 40 HKAB COc1ccccc1-c1nc(CN2CCCC[C@@H]2c2nc3ccccc3s2)cs1 12567430 HITMQLBZAUCTRQ-LJQANCHMSA-N 421.591 6.156 0 40 HKAB O=C1C[C@H](c2ccsc2)c2c(-c3ccc(Cl)cc3)nn(-c3ccccc3)c2N1 13518360 DJXNGLAEVPMYOO-GOSISDBHSA-N 405.910 5.728 0 40 HKAB Cn1ccnc1SCC(=O)N1c2ccccc2[C@](C)(c2ccccc2)CC1(C)C 13756725 CSKUHYUIBBLQID-DEOSSOPVSA-N 405.567 5.034 0 40 HKAB Cc1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)c2nc3ccccc3s2)cc1C 14138985 SXMFIXWNDPYPDV-NRFANRHFSA-N 416.502 5.418 0 40 HKAB Cc1cc(CSc2ncccc2C(=O)NC(c2ccccc2)c2ccccc2)no1 14230708 SIUZZVHGHIBBKO-UHFFFAOYSA-N 415.518 5.190 0 40 HKAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)c2ccccc12 15016225 JTFOKZUSRYCGRX-BWKNWUBXSA-N 412.514 6.152 0 40 HKAB Cc1ccc(Cl)cc1NC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F 18210287 MVUUOFFQPAWTMQ-HOCLYGCPSA-N 424.810 5.351 0 40 HKAB CCCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccc(F)cc1)C3 20358915 TYLQDEHRHSVNHK-UHFFFAOYSA-N 401.865 5.280 0 40 HKAB COc1ccc(CCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1OC 20490776 KKPSFTYRRKCRAO-UHFFFAOYSA-N 407.535 5.567 0 40 HKAB O=c1cc(COc2cccc(C(F)(F)F)c2)nc2scc(-c3ccccc3)n12 20858836 SGDQETQOTMHUKU-UHFFFAOYSA-N 402.397 5.021 0 40 HKAB Cc1cc(NC(=O)[C@H](N[C@H]2CCSc3ccc(Cl)cc32)c2ccccc2)no1 23990084 HQZPESHGXDMVDB-FXAWDEMLSA-N 413.930 5.143 0 40 HKAB COc1ccc(Cl)cc1NCN1C(=O)S/C(=C/c2ccc(SC)cc2)C1=O 27499947 NGHUERILXPKHAX-RQZCQDPDSA-N 420.943 5.176 0 40 HKAB Cc1ccc2c(C)c(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCCC3)oc2c1 28289701 HWCYDKVIXOFIDR-NRFANRHFSA-N 410.945 5.660 0 40 HKAB CCCc1ccc([C@H](NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c2cccs2)cc1 32879726 HSUOBIVVAKCXSJ-XXBNENTESA-N 422.525 5.171 0 40 HKAB CN(C(=O)c1cc(Br)c(Br)s1)[C@@H]1CCc2ccccc21 32905268 KTLLXGVJOSVILD-GFCCVEGCSA-N 415.150 5.033 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC(=O)[C@@]4(O)CCCC[C@]4(C)[C@@H]3CC[C@]12C 36020273 AYXDXVGGAIDTQI-PLBXSLRGSA-N 402.663 6.792 0 40 HKAB biogenic,in-vitro COc1cccc(-c2cc(C(=O)Nc3ccccc3C(C)C)c3c(C)nn(C)c3n2)c1 36616129 XXNBSSCDSAODAK-UHFFFAOYSA-N 414.509 5.328 0 40 HKAB CCCN(CC)Cn1nc(-c2ccc(OC)c(OC)c2)n(C2CCCCC2)c1=S 58173683 XRKNFAPUFUFLPU-UHFFFAOYSA-N 418.607 5.293 0 40 HKAB CC(C)(C)C1CCC(C(=O)N2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)CC1 58393652 NMZREYVKQHQEGJ-VIQWUECVSA-N 417.569 5.038 0 40 HKAB Cc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(F)cc23)cc1Cl 64471710 FESDBWHTVUYDLZ-UHFFFAOYSA-N 415.921 5.268 0 40 HKAB Cc1noc([C@H](C)Sc2nnc(-c3cc4c(s3)CC[C@@H](C(C)(C)C)C4)o2)n1 84286538 RTWGTSSMGXIWBV-GXFFZTMASA-N 404.561 5.494 0 40 HKAB Cc1cc2n(n1)[C@@H](C)C[C@@H](C(F)(F)F)N2C(=O)c1ccc(SC(F)(F)F)cc1 89610763 JKJDNNZMDMRFRB-GWCFXTLKSA-N 423.382 5.346 0 40 HKAB Cc1ccc(OCc2nc(CC(=O)N(Cc3ccccc3)C(C)(C)C)cs2)cc1 95997552 KWXVYSMWNILQNS-UHFFFAOYSA-N 408.567 5.400 0 40 HKAB CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccc(N(C)C)cc1 96300383 JNKSBFDGNRLVLV-UHFFFAOYSA-N 404.297 5.528 0 40 HKAB OC1=C2C(=Nc3ccccc3S[C@H]2c2cc(Cl)ccc2Cl)c2ccccc21 100702220 VDRFZQVRKQLURM-QFIPXVFZSA-N 410.325 7.244 0 40 HKAB CC1(C)CC2=NC(Nc3nc4ccccc4o3)=N[C@H](c3cccc(F)c3)C2=C(O)C1 102689396 BSHVFGCRUHSIRK-HXUWFJFHSA-N 404.445 5.563 0 40 HKAB Cc1cc(NP(=O)(/C=C(\Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)[nH]n1 107186427 GMOKCWDLPROPEV-SXQSXHJWSA-N 418.264 6.883 0 40 HKAB O=C(Oc1ccc(Cl)cc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 108238277 IRDMRAZWUTZNOX-UHFFFAOYSA-N 416.820 6.022 0 40 HKAB O=C(c1ccccc1Br)N1CCS[C@@H](c2ccccc2Cl)CC1 208046056 ZJUIKGWDMUNECS-QGZVFWFLSA-N 410.764 5.423 0 40 HKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 219339763 AEFSGNCHFGGFEF-VXKWHMMOSA-N 419.521 5.424 0 40 HKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnc(-c2ccc(Cl)cc2)nc1 222605164 UBBRLPUVVQBSTN-UHFFFAOYSA-N 412.198 5.722 0 40 HKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)Cc3ccc(F)cc3)c2)cc1 222839329 ZHPUWSYCIQGJPT-UHFFFAOYSA-N 404.485 5.557 0 40 HKAB Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223089184 BOGOPVSGHBAVES-RPWUZVMVSA-N 416.594 5.486 0 40 HKAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccccc1Cl 224475262 WWAONLFYHQFYQL-UHFFFAOYSA-N 409.913 5.556 0 40 HKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C)c1ccc(C)cc1 225674810 HQGURKDWRFUDIR-LEYFIJQKSA-N 418.562 5.403 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)c2ccccc12 225685753 NIZKLRCQXVZNOQ-UHFFFAOYSA-N 407.941 6.731 0 40 HKAB CCOc1ccc(C2=NN3[C@H](c4ccco4)Oc4c(OCC)cccc4[C@H]3C2)cc1 245020879 MLMJVMYSDILOHF-YKSBVNFPSA-N 404.466 5.319 0 40 HKAB CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(Br)cc2)C1 257232320 GKJGAFLSAZWSIH-SVFBPWRDSA-N 420.322 5.466 0 40 HKAB O=C(Nc1ccccc1Cl)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408622535 QYIJLHKDQAWYNP-UHFFFAOYSA-N 409.272 5.735 0 40 HKAB CCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc1OC 408625819 YGKJNKSJGQUMSW-UHFFFAOYSA-N 407.466 5.537 0 40 HKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccccc2)c1C 408699168 RRZQBTDMSCVWRL-UHFFFAOYSA-N 402.885 5.457 0 40 HKAB CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccccc2Cl)C1=O 409013196 MEUSFAIDDNGAAJ-BXUJETTOSA-N 401.915 5.754 0 40 HKAB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1CC1CCCCC1 409137278 WLHZVORSKGWYEA-XDHOZWIPSA-N 401.915 6.217 0 40 HKAB CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1[C@H](C)Oc1ccccc1 687638 HWGMRGAHZFPWSN-KRWDZBQOSA-N 424.570 5.292 0 40 HKAB Clc1ccc(-c2csc3ncnc(NCCc4ccc5c(c4)OCCO5)c23)cc1 934424 LYGGLHWGBPUEDJ-UHFFFAOYSA-N 423.925 5.438 0 40 HKAB COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(F)c(F)c2)cc1 1093964 MOWVDUNHRSJASG-DEOSSOPVSA-N 418.443 5.243 0 40 HKAB biogenic COc1ccc2cc(CN(Cc3cccc(C)c3)C(=O)C3CCC3)c(Cl)nc2c1 1339512 LNIYUHDTZQUUOG-UHFFFAOYSA-N 408.929 5.534 0 40 HKAB Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1C(=O)Nc1cccc(Cl)c1 1378981 HKEVZXDCYVRGJT-UHFFFAOYSA-N 406.294 5.263 0 40 HKAB Cc1cc(C)cc(NC(=O)c2cccc(COc3ccc(Cl)cc3Cl)c2)c1 2105546 DFZNLKIPIFWHMU-UHFFFAOYSA-N 400.305 6.442 0 40 HKAB Cc1ccc([C@H]2CC(=O)c3cnc4c(-c5ccc(Cl)cc5)c(C)nn4c3C2)cc1 2203637 IYHIKRDVCMJNJP-GOSISDBHSA-N 401.897 5.579 0 40 HKAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(CSc2ccc(Cl)cc2)s1 2327569 NNMIYIGWDKMLNX-UHFFFAOYSA-N 411.339 5.781 0 40 HKAB CC[C@H](C)COC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 2392414 HFASIJOIKAKQEO-ZDUSSCGKSA-N 408.889 5.012 0 40 HKAB O=C(Oc1ccc(Cl)cc1Cl)c1c(Cl)nsc1-c1ccccc1Cl 2559211 KSQNMEXPFUBVPS-UHFFFAOYSA-N 419.116 6.643 0 40 HKAB Cc1cc(C(=O)COc2cccc3ccccc23)c(C)n1Cc1ccccc1Cl 2649707 MAEFXAOXKONTRW-UHFFFAOYSA-N 403.909 6.222 0 40 HKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(Nc4cccc(F)c4)ncnc32)cc1 2715272 VGZVSRJMIBESRS-UHFFFAOYSA-N 424.479 6.369 0 40 HKAB CC(C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 2974770 CZZFOCOIYQIVOX-UHFFFAOYSA-N 407.315 5.670 0 40 HKAB O=C(Nc1ccc(CSc2ccc(F)cc2)cc1)c1cccc(Cl)c1Cl 3116611 FZTHQZCTPHQRNH-UHFFFAOYSA-N 406.309 6.677 0 40 HKAB CCCCCCOC(=O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 3194822 XATFTJYDDJAPCZ-UHFFFAOYSA-N 404.304 5.439 0 40 HKAB c1ccc2c(c1)oc1cc(NCCCNc3ncnc4c3oc3ccccc34)ccc12 3211875 ZBTLUHIOTIUSLL-UHFFFAOYSA-N 408.461 6.190 0 40 HKAB CCCn1c(SCc2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCCC3 3259655 IJHPCONXCMIVKA-UHFFFAOYSA-N 404.988 5.693 0 40 HKAB CC(C)OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 3308114 DTCGTJMARQVTDK-VAWYXSNFSA-N 411.299 5.267 0 40 HKAB O=C(COc1ccc(Cl)cc1Br)NCc1ccc(Cl)cc1Cl 3510343 NMXZGERDGDSUMZ-UHFFFAOYSA-N 423.521 5.105 0 40 HKAB CCCCOc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2Cc2ccccc2)cc1 3633484 VCYSIEFCXDSEBT-XMMPIXPASA-N 422.550 5.181 0 40 HKAB Cc1cc(C)c2c3ccccc3n(CCNC(=S)Nc3ccccc3Cl)c2n1 3765458 VCUXCXKLGDTNAF-UHFFFAOYSA-N 408.958 5.446 0 40 HKAB COc1ccc(CNCC[C@@H](Cc2ccccc2)[C@H]2CCOC(C)(C)C2)cc1OC 4028800 XENNHJMHYSULQK-GOTSBHOMSA-N 411.586 5.248 0 40 HKAB biogenic O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1cc(Br)ccc1Cl 4138212 JCQSEBMWCPPEEE-UHFFFAOYSA-N 417.734 5.393 0 40 HKAB O=C1N(c2cccc3ccccc23)[C@@H](c2ccc(Br)cc2)C12CCCC2 4615823 MNJVYFREFOVATA-NRFANRHFSA-N 406.323 6.251 0 40 HKAB CCc1ccccc1NC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CCC2 4616323 JVIKANKSGJJTHZ-UHFFFAOYSA-N 404.535 5.612 0 40 HKAB COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 4628758 GECDKZDSKUMLSP-CGTJXYLNSA-N 411.567 5.428 0 40 HKAB CCOC(=O)c1ccc(Nc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)cc1 4741340 VFGCIVSCRRDTOQ-UHFFFAOYSA-N 418.880 5.769 0 40 HKAB Cc1c(CC(=O)NCc2ccccc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 4743900 GOIWSYDWDSJRSP-UHFFFAOYSA-N 403.478 5.004 0 40 HKAB Brc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccccc1)O2 4853994 OCUYEVYYIQOLCN-UNMCSNQZSA-N 405.295 5.691 0 40 HKAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc3cc(Cl)ccc3c3c2CCCC3)C1 4859078 CUKUAOUAQXWVAO-GASCZTMLSA-N 402.991 5.364 0 40 HKAB Cc1sc(NC(C)(C)C)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1 5001226 DVNANFYLZLRKRN-UHFFFAOYSA-N 409.530 5.671 0 40 HKAB c1ccc(-c2nnc(NC(c3ccccc3)(c3ccccc3)c3ccccc3)o2)cc1 5003392 FSQGEVYLLGIEMV-UHFFFAOYSA-N 403.485 6.141 0 40 HKAB Cc1cccc(NCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)c1 5012195 BJVJSEYVBPTYBI-UHFFFAOYSA-N 406.338 5.400 0 40 HKAB Cc1cccc(-c2nnc(SCC(=O)N(Cc3ccco3)C3=CCCCC3)o2)c1 5086431 PKZVCTZWIQQVFO-UHFFFAOYSA-N 409.511 5.217 0 40 HKAB CC(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3cc(C)cc(C)c3s2)cc1 5142366 KKCIWAXXXQGFEH-UHFFFAOYSA-N 415.518 5.358 0 40 HKAB COc1ccc(-n2c(SCc3cccc(C)c3)nc3ccccc3c2=O)cc1OC 6057467 PYXHPGKKKSFSKS-UHFFFAOYSA-N 418.518 5.004 0 40 HKAB Cc1cc(OCC(=O)Nc2cccc(Cl)c2N2CCCCC2)cc(C)c1Cl 6545919 ONICGAOLMGLOMG-UHFFFAOYSA-N 407.341 5.618 0 40 HKAB C[C@H]1CN(C(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)C[C@H](C)O1 6587984 ZGMNPTIGJMCISU-PMACEKPBSA-N 422.528 5.818 0 40 HKAB C[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 6824147 KABPCEUOTTULPO-ZNPGFOTJSA-N 405.607 6.241 0 40 HKAB Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C\c2cccn2-c2ccc(F)cc2)S1 6960655 RPXQJSRRRJMOTI-XDHOZWIPSA-N 411.889 5.470 0 40 HKAB Cc1nnc(SCC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)n1C1CC1 6993310 SCKHYGNDKDFMGQ-UHFFFAOYSA-N 402.523 5.055 0 40 HKAB CSc1ccc(CC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 7597676 HDLRCJPIMSCABX-UHFFFAOYSA-N 406.532 5.572 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 7645053 KKEPXSBITYRJCC-UHFFFAOYSA-N 414.958 5.513 0 40 HKAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)c1 7882260 KWSKITOPXUWWRP-IBGZPJMESA-N 400.478 5.087 0 40 HKAB O=C(Nc1cc(Cl)ccc1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1 9063666 VAPBVQUZZDMNIN-UHFFFAOYSA-N 415.723 5.637 0 40 HKAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 9231896 HLQCVVATJKJYMX-JTQLQIEISA-N 417.214 5.004 0 40 HKAB CCc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2)cc1 9250034 LXHKKHDLVGDPFN-UHFFFAOYSA-N 419.550 5.244 0 40 HKAB C[C@@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccc(-c2ccccc2)cc1 9738691 YGUFGRGQIRTHIS-MRXNPFEDSA-N 403.507 5.275 0 40 HKAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc(-c2nccs2)cc1 10307902 SHCOGVRJBXCLDY-UHFFFAOYSA-N 411.433 5.315 0 40 HKAB O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)Nc1ccc(C(F)(F)F)cc1 12140444 UYPYKXMXPVDOCJ-UHFFFAOYSA-N 423.847 5.547 0 40 HKAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)c1 12342316 CUPVVYQRQFMESV-UHFFFAOYSA-N 422.531 5.009 0 40 HKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(-c2cn3ccsc3n2)c1 12546457 PPZJGPLCISUFLM-UHFFFAOYSA-N 416.531 5.747 0 40 HKAB COc1ccc([C@@H]2OC[C@@]3(COC(=O)Nc4ccccc4)[C@@H](C)C=C(C)[C@@H]2[C@H]3C)cc1 12655501 OGCHLIHOPGTPPY-NZEAGBOMSA-N 421.537 5.850 0 40 HKAB Cc1nc(COc2cccc(/C=C/C(=O)N(C)[C@H](C)c3ccc(F)cc3)c2)cs1 12754694 YSGAOEYLSLFSEN-NYUWMOHMSA-N 410.514 5.402 0 40 HKAB O=C(Nc1ccc(Br)cc1Br)c1ccc2ccccc2n1 12770823 CDOGBULVIUVNBQ-UHFFFAOYSA-N 406.077 5.012 0 40 HKAB O=C(c1ccccc1Br)N1CCC[C@@H](c2nc3ccccc3s2)C1 12974091 RNKPZVPEMFRQFN-CYBMUJFWSA-N 401.329 5.079 0 40 HKAB CC(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13786828 AIBDQQPNJGKKKO-ATIYNZHBSA-N 412.489 5.781 0 40 HKAB COc1ccc(-c2noc(CSc3nc4cc(Cl)ccc4s3)n2)c(OC)c1 14094852 MGBWLTBRQWUUTM-UHFFFAOYSA-N 419.915 5.309 0 40 HKAB CC[C@@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C)C(C)C 14716273 DZUAZCZFSVNHEF-WQGGKYJUSA-N 410.686 8.009 0 40 HKAB biogenic COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c2ccccc12 15016226 JTFOKZUSRYCGRX-PXDATVDWSA-N 412.514 6.152 0 40 HKAB COc1ccc(/C=C\[C@@]23N(Cc4ccccc4)C(=O)CN2c2ccccc2C3(C)C)cc1 15240415 LRFINWKNLJRYBV-QPIKWOFCSA-N 424.544 5.245 0 40 HKAB Cc1nc2ccccc2nc1COc1ccccc1OCc1nc2ccccc2nc1C 16265509 WGQKSGRVYZHHPR-UHFFFAOYSA-N 422.488 5.348 0 40 HKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)cc4C)nccn3n2)cc1 17051609 QHZMMIKJRKEDOC-UHFFFAOYSA-N 402.523 5.052 0 40 HKAB Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 17088719 YYBKUTRNLPFJTJ-UHFFFAOYSA-N 410.926 5.354 0 40 HKAB CCOc1ccc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1Br 17091005 CXLFQGZMDOPSDM-OAHLLOKOSA-N 417.347 5.479 0 40 HKAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(C(C)C)cc1 17092632 OVNFLFWCPLNLHT-UHFFFAOYSA-N 421.360 5.016 0 40 HKAB COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3ccccc3s2)ccc1Cl 17094165 KGYPBTDSJAJOSI-UHFFFAOYSA-N 424.909 5.886 0 40 HKAB O=C1[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccccc1Cl 18144960 UZEWGRHVXGUQIP-UWXQAFAOSA-N 413.904 5.583 0 40 HKAB biogenic Cc1cc(C)cc(OCc2nnc(SCC(=O)c3ccc(Cl)cc3Cl)o2)c1 19927407 OYWZXABFQSIIPO-UHFFFAOYSA-N 423.321 5.547 0 40 HKAB CC(C)c1ccc(CCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 20489174 FOHVLQWBUDWBNT-UHFFFAOYSA-N 412.577 5.735 0 40 HKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccccc2)cc1 21580361 YPVNESRJHFUZMT-UHFFFAOYSA-N 419.484 6.158 0 40 HKAB CCOc1ccc(-c2nc(CN3CCC[C@H]3c3cccc(OC)c3)cs2)cc1OC 23078280 BITXXQUXSGEFPI-NRFANRHFSA-N 424.566 5.563 0 40 HKAB C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1Nc1cccc(C(F)(F)F)c1 23467646 SOOXDUICTSBYRM-SBUREZEXSA-N 424.466 6.293 0 40 HKAB Cc1c(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)[nH]c2c1C(=O)CC(C)(C)C2 25675211 SHIAWWZKUSEABE-UHFFFAOYSA-N 412.493 5.274 0 40 HKAB CC(=O)N1C(=N)S/C(=C/c2cc3cc(C)ccc3nc2Sc2ccccc2)C1=O 27573064 OQSLJCSDVRBPDY-PTOVGEMASA-N 419.531 5.092 0 40 HKAB COc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)c2c[nH]c3ccccc23)cc1 27746092 QFQWRHXTJRCXMT-NRFANRHFSA-N 404.897 5.392 0 40 HKAB COc1cc(OC)c(NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1Cl 32100416 HUGLFCJXRKROIR-UHFFFAOYSA-N 419.868 5.220 0 40 HKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)sc2c1 32118583 PBEMLDAVVHOHCS-UHFFFAOYSA-N 411.596 5.889 0 40 HKAB Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c3ccccc32)cc1Cl 33653014 RQVNOBAKHWQRIO-UHFFFAOYSA-N 402.881 5.473 0 40 HKAB CN1CCN(c2ccccc2NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)CC1 33730908 WGNHRCTVZNBJAS-ACCUITESSA-N 421.928 5.004 0 40 HKAB Oc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc(Br)cc2)cc1 35615931 FJXMCIPWYJHDFE-UHFFFAOYSA-N 414.690 5.866 0 40 HKAB CC[C@H]1CCCCN1C(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1 36616679 CTQUSADKWZZPMI-FQEVSTJZSA-N 402.542 5.070 0 40 HKAB COc1c(Br)cc(CNc2ccc(Cl)cc2)cc1Br 37202822 BWSFOPKGKDTNKZ-UHFFFAOYSA-N 405.517 5.486 0 40 HKAB O=c1cc(C(F)(F)F)c2ccc(OCc3csc(-c4cccs4)n3)cc2o1 40010041 UXVVWOKZIVMGJF-UHFFFAOYSA-N 409.410 5.576 0 40 HKAB CN(Cc1cccc(Cl)c1Cl)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 40104443 VESJYPFGUPLAQN-UHFFFAOYSA-N 418.280 5.503 0 40 HKAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 44840956 GYFXFWFVKADNBQ-UTKZUKDTSA-N 403.950 5.636 0 40 HKAB Cc1ccccc1NC(=O)c1cn(Cc2ccc(NC(=O)C3CCCCC3)cc2)cn1 49422220 SOWFWHKWPSCGAI-UHFFFAOYSA-N 416.525 5.011 0 40 HKAB CCCC/N=c1\oc2ccccc2cc1C(=O)Nc1nnc(-c2cccc(C)c2)s1 57523738 RIWHDJNTEUKOKT-FLFQWRMESA-N 418.522 5.213 0 40 HKAB COc1ccc(OC)c([C@@H]2CCCN2Cc2ccc(OCc3ccncc3)cc2)c1 58166232 QCPBWWRLIAKLLI-DEOSSOPVSA-N 404.510 5.015 0 40 HKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)c2c(C)noc2C)cc1 72306743 VUOYNJKVEVFVFO-UHFFFAOYSA-N 403.482 5.044 0 40 HKAB CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2Br)o1 73638347 PBUWZSHOYYEBIG-VMPITWQZSA-N 400.066 5.048 0 40 HKAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccc(OCc3ccc(F)cc3)cc2)S1 85411827 LPYDHLVFZXNVKA-FQEVSTJZSA-N 411.502 5.362 0 40 HKAB Cc1ncc(-c2onc(C)c2C)c([C@@H]2CCCN2Cc2ccc(Cl)c(Cl)c2)n1 96315929 XARFCAIPGCJETF-IBGZPJMESA-N 417.340 5.701 0 40 HKAB Cc1cccc([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)c1 101221774 VXEUSHOSSVPFLF-IRLDBZIGSA-N 408.332 6.798 0 40 HKAB CCOc1ccc([C@@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3ncnn32)cc1OC 101514338 JWNOKWHUAWTYIG-QHCPKHFHSA-N 424.504 5.408 0 40 HKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1cccc(C(F)(F)F)c1 105017550 XCNSPQUJCDXPGC-LGBHXNNWSA-N 416.281 5.768 0 40 HKAB CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)N=C4SC[C@@H](CC)N43)o2)cc1 222712434 AZSODEDGHIIOEC-NLSFWIRASA-N 419.550 5.720 0 40 HKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 222971717 XZPIUAMBTUZRAQ-UWJYYQICSA-N 411.542 5.313 0 40 HKAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1COCC(C)C 224450108 ZNILYACSXUWYNW-UHFFFAOYSA-N 415.839 5.792 0 40 HKAB O=C(Nc1c(F)cccc1F)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224961080 BEEXIPVITPJWEU-UHFFFAOYSA-N 410.807 6.193 0 40 HKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225276231 BUVSLTPCAUQLQQ-INIZCTEOSA-N 401.919 5.271 0 40 HKAB CCCCCn1c(SCc2nc(-c3ccc(C)cc3)no2)nc2ccccc2c1=O 225530855 IVPFKKQGQATQCY-UHFFFAOYSA-N 420.538 5.237 0 40 HKAB CCCOC1(C(=O)Nc2ccc(OCCN3CCC[C@@H](C)C3)cc2)CCC(C)CC1 225668673 ZXVQFDSPLULYNX-YOOZRZFBSA-N 416.606 5.111 0 40 HKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2cccnc12 225876951 FHKPZFNUNSMAQR-UHFFFAOYSA-N 424.928 5.364 0 40 HKAB Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)c(Br)c1 227148110 NAGDOCYBNFGACY-JXMROGBWSA-N 401.235 5.082 0 40 HKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)/C(=C\c3ccccc3Cl)C[C@H]12 253497890 YMHMUKZSUKEOTI-YMJUPGAWSA-N 415.017 6.098 0 40 HKAB biogenic CCSc1ccccc1C(=O)NCCSCc1ccc(Cl)c(Cl)c1 408679485 MGWACVXFBSELRU-UHFFFAOYSA-N 400.396 5.769 0 40 HKAB O=C(Nc1cccc(F)c1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 408698336 PHDFJVWAKAKKGI-UHFFFAOYSA-N 410.811 5.118 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2cccc(Cl)c2)cc1 408699295 SSAXNHUNLBPZFW-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc2sc(=O)oc12 408974200 DHKJJHFLNAZQCM-UHFFFAOYSA-N 400.459 5.587 0 40 HKAB COC(=O)c1c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)sc2c1CCCC2 409117706 OOOCNHPKFPVEGO-LLVKDONJSA-N 409.960 5.186 0 40 HKAB COc1cc(C)c(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1C(C)C 409124661 BGFHXDJVHMYIEI-PXLXIMEGSA-N 409.551 5.796 0 40 HKAB Cc1ccc(Sc2ccc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)o2)cc1 409243856 VIAICOBLAGPYJV-DEDYPNTBSA-N 404.491 5.141 0 40 HKAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(Cl)cc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409361072 PXIHXRKWXNJXEQ-MUKKUYKPSA-N 416.871 5.255 0 40 HKAB COc1ccc(Br)c(C(=O)NCCc2ccc(-c3ccsc3)s2)c1 575413978 AKLGPAYCOYKDLU-UHFFFAOYSA-N 422.369 5.220 0 40 HKAB Cc1ccc(OCc2nc(CC(C)C)c(-c3cccc(Cl)c3)cc2C(=O)O)cc1 585265529 RXRVZLODHQAEDL-UHFFFAOYSA-N 409.913 6.186 0 40 HKAB C[C@H]1CCc2c(sc3nc(CC(=O)Nc4ccc(Cl)cc4Cl)nc(O)c23)C1 644987525 NIXAYKHCHHBZAR-VIFPVBQESA-N 422.337 5.010 0 40 HKAB COc1c(Br)cccc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1857794480 KHVHMLCEVSUIAX-UHFFFAOYSA-N 402.285 5.134 0 40 HKAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc4ccccc34)n2C)cc1 898496 FVPPYFKFURERMX-MRXNPFEDSA-N 402.523 5.063 0 40 HKAB Clc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1Cl 1480423 BWHWUIAXAWPWKC-UHFFFAOYSA-N 413.333 5.928 0 40 HKAB CC(C)[C@@H]([C@@H](F)C(=O)OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 1586255 DSSFNGQBDOOLFJ-FTJBHMTQSA-N 419.540 5.795 0 40 HKAB CCOC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2)sc2c1CC[C@H](C)C2 1773375 SNCVCHLUHIOTRH-INIZCTEOSA-N 415.555 5.156 0 40 HKAB CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2C)cc1 1984788 XVAYITKUBVFUSL-QGZVFWFLSA-N 417.933 5.792 0 40 HKAB C[C@H]1CCc2sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c3c2C1 2093142 AXTXIOBOPXWFCA-INIZCTEOSA-N 418.587 5.864 0 40 HKAB CCOc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2C/C=C/c2ccccc2)ccc1O 2098994 XGYONAAGJOZHRO-KXCAJURRSA-N 407.554 5.172 0 40 HKAB CC(C)=CCc1c(O)c2c(c3c1OC(C)(C)C=C3)OC[C@@H](c1ccc(O)cc1)C2=O 2121515 DHNRWHTWDGATCC-IBGZPJMESA-N 406.478 5.150 0 40 HKAB biogenic Oc1nncc(SCc2ccc(Cl)cc2)c1SCc1ccc(Cl)cc1 2183689 LHABJFMHCGVFKK-UHFFFAOYSA-N 409.363 6.074 0 40 HKAB CCCCCCn1c(N)c(C(=O)Nc2cccc(C)c2)c2nc3ccccc3nc21 2250249 VTDLEHQPRBSZBF-UHFFFAOYSA-N 401.514 5.308 0 40 HKAB O=C(Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1)c1ccccc1F 2265329 GOAWTSLRXKGNNP-UHFFFAOYSA-N 417.417 5.428 0 40 HKAB biogenic CC(C)(C)c1ccc(CSc2nc3ccccc3c3nc(-c4ccccc4)nn23)cc1 2338459 BAKXVCCPSCFPRC-UHFFFAOYSA-N 424.573 6.534 0 40 HKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)CCCc1nc2ccccc2s1 2620409 SUJXTVOPPMQTQG-OAHLLOKOSA-N 406.507 5.223 0 40 HKAB O=C1C[C@H](c2ccc(Cl)cc2Cl)c2cc(Br)c3ccccc3c2N1 2776573 YMWDLNUTZRTOIZ-CQSZACIVSA-N 421.121 6.383 0 40 HKAB O=C(Nc1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@@H]21)c1ccc(Cl)cc1 3024332 XEGWPHFMPASJSA-DEPWHIHDSA-N 406.957 6.193 0 40 HKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cn(C)c4ccccc24)N3)C1 4109072 KZNPQXXXFLYLBR-SPLOXXLWSA-N 407.583 6.210 0 40 HKAB O=C(CSc1nnc(Cc2ccccc2)n1C1CCCCC1)OCc1ccccc1 4130542 ZORMHGJMYYRVKH-UHFFFAOYSA-N 421.566 5.210 0 40 HKAB Clc1ccc(C2=NN(c3cccc(Cl)c3)[C@@H](c3ccc(Cl)cc3)C2)cc1 4199489 LQDQDAPZEPWKTM-OAQYLSRUSA-N 401.724 7.003 0 40 HKAB COc1cccc(CNC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c1 4881736 VZCIIYPXHRWNQY-UHFFFAOYSA-N 408.910 5.555 0 40 HKAB COC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 5526471 NFUFOTGDKRMZHN-UHFFFAOYSA-N 416.864 5.594 0 40 HKAB CCCOc1ccc(NC(=O)COc2cccc(Br)c2)cc1OCCC 5937831 MKOGWOBYIBTTNC-UHFFFAOYSA-N 422.319 5.044 0 40 HKAB Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(Cl)cc2)N2CCCC2)c1C 6008422 RHZSMEDCHRBGJR-FQEVSTJZSA-N 414.958 6.049 0 40 HKAB COc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 6256697 ITTSPWDVCRUKJT-UHFFFAOYSA-N 424.928 5.595 0 40 HKAB COc1ccc(NCC[C@]2(c3cccc(C(F)(F)F)c3)CCOC(C)(C)C2)cc1 6671857 GXCJOIYVXBELHQ-QFIPXVFZSA-N 407.476 6.043 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1 6924738 GTCUZDBXBJUQKH-LFIBNONCSA-N 420.468 6.309 0 40 HKAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)c1nnc(-c2ccc(F)cc2)o1 7114006 GSEZXWYRSCQYTI-CYBMUJFWSA-N 407.474 5.187 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)c1 7848163 CNWGLTOYRBRIDH-RUZDIDTESA-N 413.521 5.222 0 40 HKAB CCc1ccc2oc(-c3cc(NC(=O)c4cc(C)cc(C)c4)ccc3Cl)nc2c1 8087657 FLELBFOOURXWIV-UHFFFAOYSA-N 404.897 6.580 0 40 HKAB COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCc1c(F)cccc1Cl 8113452 VPKNHTXPPPFIAR-LFIBNONCSA-N 409.844 5.559 0 40 HKAB O=C(COc1ccc(Cl)c2cccnc12)N(Cc1ccccc1)Cc1ccco1 8196102 BWAXVOKLUMWDRQ-UHFFFAOYSA-N 406.869 5.089 0 40 HKAB C[C@H](NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1 8534223 VBHPEVWHABLCLW-IBGZPJMESA-N 401.937 6.923 0 40 HKAB C[C@@H](NCc1ccc(OCc2ccc(Cl)cc2)cc1)C12CC3CC(CC(C3)C1)C2 8534867 PDTMLDVNISRSAQ-FNDIMGIGSA-N 410.001 6.614 0 40 HKAB Clc1ccc(-c2nc3cc(Cl)c(Cl)cc3n2Cc2ccccc2Cl)cn1 8733653 BFCORDLRZUKGDZ-UHFFFAOYSA-N 423.130 6.760 0 40 HKAB O=S(=O)(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(Cl)s1 8864769 DJUSSCJHMSDALN-UHFFFAOYSA-N 406.941 5.479 0 40 HKAB O=C1c2ccccc2[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1Cc1ccccc1 9355409 PURJLANYAMKREL-NDEPHWFRSA-N 414.508 6.580 0 40 HKAB O=C(CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccc2c(c1)CCCC2 9516646 FGQKNKSAGJAHKE-OAQYLSRUSA-N 418.562 5.502 0 40 HKAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 10322274 UCLWTGZKNIOYMR-UHFFFAOYSA-N 411.490 5.081 0 40 HKAB O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1cc2ccccc2o1 10586997 INDCMCHIUCGMNF-UHFFFAOYSA-N 420.262 5.679 0 40 HKAB COc1cc(NC(=O)COc2ccc3c(c2)[nH]c2ccccc23)c(OC)cc1Cl 10905683 HCSZHPGNGLRMHM-UHFFFAOYSA-N 410.857 5.009 0 40 HKAB O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)C[C@H](c1ccc(Cl)cc1)OC2=O 11689841 VDXXHJRKIIYIJQ-HXUWFJFHSA-N 412.272 5.700 0 40 HKAB Cc1cc(C)cc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(Cl)cc2)OC3=O)c1 12274624 LQDFOMQYHYPFFW-QFIPXVFZSA-N 405.881 5.663 0 40 HKAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2c(Cl)cccc2Cl)cs1 12569708 NIJZUOQKLGWMCI-UHFFFAOYSA-N 423.390 6.735 0 40 HKAB CC[C@H](C)[C@@H](C(=O)OCC(=O)c1ccc(NC(=O)C(C)(C)C)cc1)c1ccccc1 12815968 LWNBBPLAEOEZHK-HTAPYJJXSA-N 409.526 5.227 0 40 HKAB COCc1c(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)sc2cccc(F)c12 13098503 IRRFEVQMDQDOQL-UHFFFAOYSA-N 423.513 5.515 0 40 HKAB CCOc1ccccc1NC(=O)c1ccccc1CSc1nc2ccccc2o1 15657276 VGNYLGMHXKBKBX-UHFFFAOYSA-N 404.491 5.771 0 40 HKAB O=C(Nc1nc2cc(Cl)ccc2s1)c1sc2cc(Cl)ccc2c1Cl 16431197 MMODPGBKFBIKMP-UHFFFAOYSA-N 413.738 6.724 0 40 HKAB Sc1nnc([C@@H](Sc2ccccc2)c2ccccc2)n1Cc1ccc(Cl)cc1 17093754 XHRAWGSZYAOKQC-FQEVSTJZSA-N 423.994 6.150 0 40 HKAB c1ccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCCN3Cc3ccccn3)n2)cc1 19373048 WUGVFMCHTYJYGC-DEOSSOPVSA-N 422.536 5.404 0 40 HKAB COc1c(C)cccc1C(=O)Nc1cc(-c2nc3cc(C)c(C)cc3o2)ccc1C 20418289 VADBYCZNLXLHCQ-UHFFFAOYSA-N 400.478 5.989 0 40 HKAB O=C(Nc1cccc(F)c1)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 20509669 SGJINCRNFRSPOR-IBGZPJMESA-N 422.847 5.440 0 40 HKAB CCc1nn2c(C)c(C(=O)Nc3ccccc3C)nnc2c1-c1cccc2ccccc12 20672756 GFEMBNJHKGMQSR-UHFFFAOYSA-N 421.504 5.376 0 40 HKAB CCOc1ccc(OCC)c(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c1 22239291 BRTRMQIHFBCESQ-UHFFFAOYSA-N 414.889 5.364 0 40 HKAB CC(=O)Nc1ccc(NC(=O)c2sc3cc(C(C)(C)C)ccc3c2Cl)cc1 26688055 LLDNWKIXEIDIHL-UHFFFAOYSA-N 400.931 6.063 0 40 HKAB Cc1c(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)oc2ccc(F)cc12 27795766 RBCPOPSFPQTVGT-OAQYLSRUSA-N 412.464 5.924 0 40 HKAB Cc1c(-c2ccc(Cl)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccccc1Cl 32091071 WDOZIEUEYYAISH-INIZCTEOSA-N 415.280 5.337 0 40 HKAB CC1(C)C[C@@H](NCC[C@@](C)(c2ccccc2)c2cccc(C(F)(F)F)c2)CCO1 32095827 XXMPDBUWKJDISG-GMAHTHKFSA-N 405.504 5.949 0 40 HKAB Cc1ccc(C(=O)Nc2c(C)nn(COc3ccc(Cl)cc3Cl)c2C)s1 32609884 ONANRGJXPXMONC-UHFFFAOYSA-N 410.326 5.465 0 40 HKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)[C@@H](C)c3cc4ccccc4o3)c12 32753965 FQOAQXWFTNWYSB-INIZCTEOSA-N 411.461 5.778 0 40 HKAB O=C(Nc1ccc(F)cc1)N(CCc1nc2ccccc2[nH]1)Cc1ccc(F)cc1 35291246 LGLSEAUJBMJKHM-UHFFFAOYSA-N 406.436 5.118 0 40 HKAB CCCc1c(C(=O)Nc2cc(Cl)ccc2Cl)nnn1-c1ccc(Cl)cc1 36636046 WVUSWDBMKPUSKZ-UHFFFAOYSA-N 409.704 5.432 0 40 HKAB O=C(CSc1ccc(F)cc1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 38677770 VOXQAPXPJMZQPO-UHFFFAOYSA-N 420.509 5.150 0 40 HKAB CCOc1ccc(Nc2c(C(=O)N3CCCC[C@H]3C)cnc3nc(C)ccc23)cc1 49005240 OLEFJPYLNSNTPA-QGZVFWFLSA-N 404.514 5.095 0 40 HKAB CCn1c(SCc2cccc3ccccc23)nnc1-c1ccc(NC(C)=O)cc1 59099153 PQFCUJPXMFTAAO-UHFFFAOYSA-N 402.523 5.369 0 40 HKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(Cl)cc2)cc1 67190052 NOHJJMWZZYBNBD-RWEWTDSWSA-N 404.853 5.580 0 40 HKAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1ccc(-c2ccc(Cl)cc2Cl)o1 71283789 DLFNIEWJHVOGMN-GFCCVEGCSA-N 406.269 5.448 0 40 HKAB CC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)Nc3ccc(OCc4ccccc4F)cc3)c2C1 141558729 WOVYVTIEYDRYHW-QGZVFWFLSA-N 421.516 5.531 0 40 HKAB CCC(C)(C)[C@H]1CCc2nc3sc(C(=O)N(C)Cc4ccccc4)c(N)c3cc2C1 215679734 AEJLZYMXJLAORN-SFHVURJKSA-N 421.610 5.692 0 40 HKAB Cc1cc(C)c(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)c(C)c1 224964837 VSTYYWMAFZQFIK-UHFFFAOYSA-N 416.908 6.840 0 40 HKAB COc1cccc(CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)c1 225553433 IGZSZOPGCXAQJA-UHFFFAOYSA-N 422.619 5.907 0 40 HKAB COC(=O)c1cccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)c1C 225859152 NVDTUBNGEXIQOI-UHFFFAOYSA-N 410.583 5.322 0 40 HKAB COc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Br)o2)c(N)c1 226349261 MCABUTOOPYIXGV-UHFFFAOYSA-N 421.678 5.206 0 40 HKAB O=C(NCC[C@@H]1CCCCN1C(=O)c1ccccc1-c1ccccc1)c1ccccc1 257260775 LEHHCKSYLFRHGA-QHCPKHFHSA-N 412.533 5.168 0 40 HKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1 408574775 LCGRWEYAYJGTLP-UHFFFAOYSA-N 419.546 6.188 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccccc2)cc1Cl 408696514 AJQJKDATHGMXSG-UHFFFAOYSA-N 406.848 5.288 0 40 HKAB Cc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2cccc(C)c2C)cc1 408697619 IQNNGEJTXIKYOZ-UHFFFAOYSA-N 410.521 5.729 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1 408922625 PQJJHNFKVXFSCD-UHFFFAOYSA-N 414.914 5.010 0 40 HKAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(F)c2)cc1 409101311 XTBMYJPJXBNTGN-UHFFFAOYSA-N 419.525 5.688 0 40 HKAB CCc1ccccc1NCc1ccc(OCc2cccc(F)c2)c(Br)c1 409109374 CKBFKYNMIYLZKT-UHFFFAOYSA-N 414.318 6.342 0 40 HKAB CCc1cc2c(cc1[C@@H](Cc1ccccc1)NC(=O)CCc1ccccc1)OCCO2 667997 YPZBUJCRVYKHFQ-XMMPIXPASA-N 415.533 5.053 0 40 HKAB CC(C)(C)c1ccc(C(=O)N/C(=C/c2cccs2)C(=O)Nc2cccc(F)c2)cc1 714993 YSJWKBFOYSMCMR-RCCKNPSSSA-N 422.525 5.594 0 40 HKAB O=C(CSCc1cccc(Br)c1)Nc1cccc(Br)c1 827506 KZVYSWZCGVFMNK-UHFFFAOYSA-N 415.150 5.084 0 40 HKAB CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2cc1OC(=O)c1ccco1 848456 VAMCVUCGVPYCMY-UHFFFAOYSA-N 417.442 5.444 0 40 HKAB S=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCCCC1 1162142 ZKAPBJOQBYASHJ-UHFFFAOYSA-N 418.522 5.723 0 40 HKAB biogenic COc1cc(NC(=O)C2CCCCC2)c(OC)cc1NC(=O)c1ccc(Cl)cc1 1324370 JMLKKONXPPWOBL-UHFFFAOYSA-N 416.905 5.128 0 40 HKAB Cc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)Nc2ccccc2)cc1 1353150 VAXAWUGNQHXDFM-UHFFFAOYSA-N 411.505 5.379 0 40 HKAB Cc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1 1365825 LDJRONFDUNAZBG-GOSISDBHSA-N 424.488 5.142 0 40 HKAB Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1C 1380088 BAXIXCQEGIDIIZ-JOCHJYFZSA-N 422.550 5.405 0 40 HKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOc1ccccc1Cl 1756845 RRXMMYWJDOIYDG-UHFFFAOYSA-N 411.288 5.449 0 40 HKAB Cc1ccc(C)c(Oc2coc3cc(OC(=O)c4ccc(Cl)cc4)ccc3c2=O)c1 1774645 PMJGBZMGQJXKRC-UHFFFAOYSA-N 420.848 6.075 0 40 HKAB Cc1cccc(-c2nn(Cc3cccc(C(F)(F)F)c3)c(-c3cccc(C)c3)c2C)c1 2733311 LSPPUDGCKGISDF-UHFFFAOYSA-N 420.478 7.209 0 40 HKAB CCOc1ccccc1C(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C(C)(C)C)C2 2737849 YDJXDMOYXWPVGP-CQSZACIVSA-N 415.555 5.337 0 40 HKAB c1ccc(-c2nnc(SCc3nc4ccccc4s3)nc2-c2ccccc2)cc1 3280328 IOIISPPNUNLFMO-UHFFFAOYSA-N 412.543 6.108 0 40 HKAB O=C(OCc1c(F)cccc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1 3302961 GXHXNDNGJOCQDB-UHFFFAOYSA-N 421.320 6.782 0 40 HKAB O=C(Oc1ccccc1C(=O)NCc1ccccc1)c1ccc(Cl)c(Cl)c1 3330312 GZJYFAQJYHVHAO-UHFFFAOYSA-N 400.261 5.143 0 40 HKAB O=C(CCCOC(=O)c1c(Cl)cccc1Cl)c1ccc(Br)cc1 3333058 NBEFEKUSKZBSNI-UHFFFAOYSA-N 416.098 5.576 0 40 HKAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)c1C 3336914 BIMQXMXNXPZFOX-UHFFFAOYSA-N 412.489 5.876 0 40 HKAB CCOc1ccc(C2=N/C(=C/c3ccc(OCCC(C)C)cc3)C(=O)O2)cc1OCC 3373247 XOWMGVCDNXBNQO-RCCKNPSSSA-N 423.509 5.253 0 40 HKAB Cc1ccc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1NC(=O)c1ccco1 3400280 ADCBDZLDEDSTEC-UHFFFAOYSA-N 420.799 5.347 0 40 HKAB CO[C@@H](c1ccccc1)c1oc2c(C)c3oc(=O)cc(C)c3cc2c1-c1ccccc1 3671607 RUBTWBGJNVEVOB-SANMLTNESA-N 410.469 6.559 0 40 HKAB biogenic Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2oc3c(c2c1)C[C@@H](C(C)(C)C)CC3 4147812 BELJGJNUIDGSSD-HNNXBMFYSA-N 415.530 5.832 0 40 HKAB O=C(Nc1cc2c3c(c1)[C@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@H]21)c1ccc(Cl)cc1 4181045 XEGWPHFMPASJSA-JYWFKMLOSA-N 406.957 6.193 0 40 HKAB Cc1ccccc1CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 4412288 GTBTWPUINMWYHR-UHFFFAOYSA-N 406.938 5.699 0 40 HKAB CCC(=O)N(CC[C@@]1(c2ccccc2OC)CCO[C@](C)(CC)C1)Cc1ccccc1 4812247 HSLBYBOWNAXFGN-KAYWLYCHSA-N 423.597 5.741 0 40 HKAB COc1ccc([C@@H](CC(=O)NCc2ccc(OC(C)C)cc2)c2ccc(F)cc2)cc1 5499207 IXDJVYFGNNFCND-VWLOTQADSA-N 421.512 5.460 0 40 HKAB O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccccc1Br 6338557 GCTHTWHRVBFMRY-UHFFFAOYSA-N 412.283 5.046 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(c3nc(-c4ccc(CC(C)C)cc4)cs3)C(=O)[C@@H]21 6388289 JESHWTBYGPEYMA-MTIDIVMFSA-N 420.578 5.490 0 40 HKAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(C)c(Cl)c2)cc1 6630449 FKFBUEBOYMVWHY-UHFFFAOYSA-N 408.885 5.067 0 40 HKAB N#CCn1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c2ccccc21 7098449 MFFYALWYVADJOA-YBFXNURJSA-N 407.882 5.055 0 40 HKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cc3ccccc3o1)CC2 7408668 OUNSGBJRYQHYDG-HSZRJFAPSA-N 419.502 5.299 0 40 HKAB Cc1ccc(C)c(NC(=O)[C@@H](N[C@H](C)c2ccc3c(c2)OCCO3)c2ccccc2)c1 8038407 PVBXKZOIFLATAT-CLOONOSVSA-N 416.521 5.105 0 40 HKAB COc1cccc(C2=N/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C(=O)O2)c1 9425664 LITVZPFJTQHZBO-STZFKDTASA-N 419.864 5.272 0 40 HKAB O=C(NC1CCCCC1)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 9607486 ISBMNIMZUILTFL-IBGZPJMESA-N 410.905 5.111 0 40 HKAB CCOc1ccc2nc(N(Cc3ccccn3)C(=O)/C=C/c3cccs3)sc2c1 10187628 AGIBSOKUGBFMJB-PKNBQFBNSA-N 421.547 5.398 0 40 HKAB Brc1ccc2c(c1)[C@H]1CC(c3cccs3)=NN1[C@@H](c1ccsc1)O2 10215542 AGQKQVXUHPJYJT-CRAIPNDOSA-N 417.353 5.814 0 40 HKAB O=C(c1cccc(Cl)c1)N(Cc1ccncc1)c1nc2c(F)cc(F)cc2s1 10254328 YDBXHBNMAZKZLK-UHFFFAOYSA-N 415.852 5.470 0 40 HKAB CCOc1ccc2nc(N(Cc3ccccc3)C(=O)Cc3ccc(C)cc3)sc2c1 10699491 JEJYKANHVLUIGP-UHFFFAOYSA-N 416.546 5.779 0 40 HKAB CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4cccs4)=NN23)cc1 12196822 PXNQWUDHCGTFAP-XXBNENTESA-N 406.507 5.398 0 40 HKAB Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2C[C@H](C)C[C@@H](C)C2)cc1 12419649 OFSZKTZBIOOAMI-HZPDHXFCSA-N 416.568 5.027 0 40 HKAB Cc1cc(C)c(C(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)c(C)c1 12565311 LAKNEUNESIUXNH-UHFFFAOYSA-N 421.012 6.217 0 40 HKAB CC(=O)c1c(C)cc(C)c(CNc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)c1C 12606928 MPRSJKXRZAZIBM-UHFFFAOYSA-N 418.459 5.794 0 40 HKAB COCc1nn2c3c(cnc2c1-c1cccc(Cl)c1)C(=O)C[C@@H](c1ccccc1)C3 13638352 URRSWOIAIHKKBG-KRWDZBQOSA-N 417.896 5.109 0 40 HKAB CCc1nn2c(c1-c1ccccc1)N=C(c1cccc(OC)c1)C[C@H]2c1cccnc1 14607613 AVQNOIQEMSWCGJ-DEOSSOPVSA-N 408.505 5.630 0 40 HKAB CCc1nn2c(c1-c1ccc(Cl)cc1)N=C(c1ccco1)C[C@@H]2c1ccccn1 14607646 GUQSORVSTKOVGY-HXUWFJFHSA-N 402.885 5.868 0 40 HKAB Cc1c(Cl)cccc1NC(=O)COc1ccc(C(C)(C)C)cc1Br 14649533 JITCNPUGEHKTIU-UHFFFAOYSA-N 410.739 5.726 0 40 HKAB Cc1ccc(C)c(NC(=O)CN(C)c2ncnc3sc(-c4ccccc4)cc23)c1 15346017 FQXUFMFPARMVQA-UHFFFAOYSA-N 402.523 5.050 0 40 HKAB CC(C)COc1cccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)c1 16575360 DIENDWYRYMWMBL-UHFFFAOYSA-N 419.959 5.111 0 40 HKAB CCc1c(-c2cccc(OC)c2)nn(Cc2cccc(C)c2)c1-c1cccc(OC)c1 17089288 ZHMVRUJPEDZZCR-UHFFFAOYSA-N 412.533 6.153 0 40 HKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1 20143983 WTDSPYZGONJBRM-UHFFFAOYSA-N 413.901 5.407 0 40 HKAB Cc1noc(C(C)C)c1C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 21206449 HTMHLIJUJTZUJY-UHFFFAOYSA-N 410.326 5.713 0 40 HKAB CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2cc(C)ccc2C)CC1=O 21524537 GWHLHDIVVDTPOS-OAQYLSRUSA-N 419.569 5.238 0 40 HKAB COc1ccc([C@@H](C)NC(=O)CCc2ncc(-c3ccc(CC(C)C)cc3)o2)cc1F 21897794 UAPRTQIOPYEEMI-QGZVFWFLSA-N 424.516 5.498 0 40 HKAB CCn1cc(C(=O)Nc2ccc(C)c(Cl)c2)c(=O)c2cc(C(F)(F)F)ccc21 22236775 YYXNSAFHNULSDE-UHFFFAOYSA-N 408.807 5.254 0 40 HKAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccccc1Oc1ccccc1Cl 22967594 MRAOCVGSMQKXBQ-UHFFFAOYSA-N 410.882 6.030 0 40 HKAB CCN1CCc2c(sc(NC(=O)c3ccco3)c2-c2nc3ccccc3s2)C1 23153873 CYDRDSPXASXHPV-UHFFFAOYSA-N 409.536 5.248 0 40 HKAB COc1cc(C(=O)N(Cc2cccnc2)C2CC2)ccc1OCc1ccc(Cl)cc1 28515588 DIWZEFLKZNXLBS-UHFFFAOYSA-N 422.912 5.127 0 40 HKAB Clc1cccc(-c2nc(CSc3nncn3CCc3cccs3)co2)c1 28965484 RVHKJZCXDGHVDB-UHFFFAOYSA-N 402.932 5.183 0 40 HKAB COc1ccccc1CN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)on1 30476577 ALAHLLLYOGGZHO-UHFFFAOYSA-N 404.491 5.254 0 40 HKAB Clc1ccc([C@H]2N[C@@H](c3ccccc3)c3c(ccc4ccccc34)O2)cc1Cl 31716568 PKYMTSJXAMCLLY-ZEQRLZLVSA-N 406.312 6.917 0 40 HKAB CCCCOc1ccc(NC(=O)c2cc(=O)c3cccc(C)c3o2)c2cccnc12 32623700 VYKQPHVATGKXJV-UHFFFAOYSA-N 402.450 5.081 0 40 HKAB CCOc1ccc2nc(C(=O)OC)cc(Nc3ccc(Br)c(C)c3)c2c1 38487349 KKXBGXMJLGXUFJ-UHFFFAOYSA-N 415.287 5.235 0 40 HKAB Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccccc3F)n2)cc1 58960203 ZZPYTVGKRTXXDA-UHFFFAOYSA-N 421.419 5.341 0 40 HKAB Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1 67297023 JRFQYTIFXWLUNF-NFFVHWSESA-N 422.406 6.245 0 40 HKAB CCCCCCc1cc2cc(-c3nc(-c4cccc(OC)c4)n[nH]3)c(=O)oc2cc1O 69967613 CWODQDMYPGUEKT-UHFFFAOYSA-N 419.481 5.082 0 40 HKAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C 72214736 XZUZLQVTRUJRFE-QGZVFWFLSA-N 405.539 5.305 0 40 HKAB COc1ccc(-c2cccc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)cc1 72349029 QVTBOAAGHKUYKP-QFIPXVFZSA-N 400.522 5.096 0 40 HKAB CO[C@H](c1ccc(Br)cc1)c1nc(-c2ccc(Br)cc2)c[nH]1 72414111 FYADQLITCANWER-MRXNPFEDSA-N 422.120 5.338 0 40 HKAB CCOc1ccccc1NC(=O)NCc1sc(-c2ccccc2Cl)nc1C 90593324 RRFUIIVUQBRBGP-UHFFFAOYSA-N 401.919 5.492 0 40 HKAB Cc1cccc(-c2nc3ccc(NC(=S)NC(=O)c4ccccc4C)cc3o2)c1 98086907 KAFSNPXLYNNGSF-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB COc1ccccc1[C@@H]1C[C@@H]2CC[C@@H]([C@@H]1OC(=O)c1ccco1)N2Cc1ccccc1 100463478 ZHLJKTQAWJWBRF-FGJSELGCSA-N 417.505 5.034 0 40 HKAB O=C1[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(Oc2ccccc2-c2ccccc2)cc1 102632494 BCIMCGGUVWTANB-PIYXRGFCSA-N 407.469 5.457 0 40 HKAB Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1cccc3ccccc13)O2 103151097 QPBNRMNSCNIJEN-AHWVRZQESA-N 410.904 6.736 0 40 HKAB C[C@]12CC3CC(CC(=O)Nc4ccc5[nH]c(C(F)(F)F)nc5c4)(C1)C[C@](C)(C3)C2 103520492 DYFRVEYNBAYUKF-PKKWBYLYSA-N 405.464 5.907 0 40 HKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\c3ccccc3)n2-n2cnnc2)cc1 109135536 ZWXWWMZARITACX-PNHLSOANSA-N 409.518 5.327 0 40 HKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913034 SJZZRXMQSAXCFD-KEEQCGGNSA-N 418.662 5.763 0 40 HKAB in-vitro CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](CO)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118930475 TYTUMJNHSUQBGY-VNJYQTTISA-N 418.706 6.687 0 40 HKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)Nc1cccc2ccccc12 205612451 DAYJJVCEYDJONM-KQWNVCNZSA-N 412.514 5.619 0 40 HKAB COc1cccc(CCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 218989484 UDXUJNHRVXKIDX-UHFFFAOYSA-N 409.913 5.290 0 40 HKAB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)c2ccccc2O1 222993352 IDIZLLXLEWVGEU-YLJYHZDGSA-N 415.961 5.923 0 40 HKAB CC(C)c1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223125737 GGXJGDDKMBVRTG-NRFANRHFSA-N 422.613 5.117 0 40 HKAB CCc1cc(S(=O)(=O)Nc2ccc3c(c2)c2ccccc2n3CC)ccc1OC 223687317 CPAKPRIRZSWUNN-UHFFFAOYSA-N 408.523 5.186 0 40 HKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C 225578143 PGQVOHKTEQRKQT-QGZVFWFLSA-N 401.934 5.513 0 40 HKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 225848237 CZUALFVHZLAOMU-DEOSSOPVSA-N 421.578 5.602 0 40 HKAB COc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)c(OC)c1 225849208 MDLUQHATGPJPIA-UHFFFAOYSA-N 418.990 5.589 0 40 HKAB CCCO[C@]1(C(=O)Nc2ccc(O[C@@H](C)CC)c(C(=O)OCC)c2)CCC[C@@H](C)C1 225854231 QYDMAFWGCGQNJD-NXMSCROESA-N 419.562 5.355 0 40 HKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)c2cccnc12 225863745 JPIPOUSOUBKEMV-UHFFFAOYSA-N 408.929 6.126 0 40 HKAB Oc1nc(-c2ccc(-c3ccc(Br)cc3)o2)nc2ccc(Cl)cc12 253536006 BLVLJWKTURCMIL-UHFFFAOYSA-N 401.647 5.678 0 40 HKAB O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1ccco1 408845732 RIWFWEWFMMRMNT-YRNVUSSQSA-N 408.660 5.255 0 40 HKAB CCOc1ccc(C2=N/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=O)O2)cc1 409009059 SNQSTFGCOAJGOO-HZHRSRAPSA-N 417.436 5.148 0 40 HKAB Fc1ccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 409204197 DDRCOINTNJYALR-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2ccccc2F)N1c1ccccc1 409329346 DXQXUNFSJXBRSD-SANMLTNESA-N 408.476 6.192 0 40 HKAB COc1ccc(/C=C/C(=O)Nc2ccccc2Sc2ccccc2)c(OC)c1OC 409411109 CFNQJGYPJFSNBU-JQIJEIRASA-N 421.518 5.516 0 40 HKAB CC(C)=CCC[C@@]1(C)Oc2ccc(-c3cccc(C(=O)O)c3)cc2[C@@H]2O[C@H](C)CC[C@H]21 585265344 AMFSVUNGQKZPMB-UBJKNDRWSA-N 420.549 6.806 0 40 HKAB Cn1c(=S)n(CCSc2nc3ccccc3n2-c2ccccc2)c2ccccc21 724489 VESFQWINVTXSRA-UHFFFAOYSA-N 416.575 5.840 0 40 HKAB COC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cc(SC)ccc2Cl)c1 1431515 VLTDLZXAJADLNK-UHFFFAOYSA-N 418.946 5.091 0 40 HKAB C[C@@H]1CN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)C[C@@H](C)O1 1447619 RNEFFOIJRPZVFW-IAGOWNOFSA-N 418.928 5.355 0 40 HKAB CCc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C)c2)c1 2210469 IZFZEPARVQUEQT-UHFFFAOYSA-N 418.522 5.045 0 40 HKAB CC(=O)N(CC[C@@H](Cc1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccco1 2256928 WFTPLGLVKOUJHY-DEOSSOPVSA-N 405.538 5.832 0 40 HKAB Cc1cccc(-c2nnc(SCc3ccccc3F)n2-c2ccc(Cl)cc2)c1 2450904 MAQDLUKORCSNGB-UHFFFAOYSA-N 409.917 6.328 0 40 HKAB Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(C)ccc2O[C@@H]3c2cccs2)cc1 2707224 ZZRPWLZSZWLDMI-XZOQPEGZSA-N 412.518 5.169 0 40 HKAB C[C@H]1C[C@H](C)CN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)C1 2713970 ALZDHBBYPLYFCI-ROUUACIJSA-N 400.501 5.709 0 40 HKAB O=S(=O)(Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccccc1 3012932 BUKOQCQSOBHMGP-UHFFFAOYSA-N 405.517 5.754 0 40 HKAB CCCCCC(=O)N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl 3153146 NYWUKNTVXKTJGF-ZDUSSCGKSA-N 416.574 5.254 0 40 HKAB O=C(COc1ccc(Oc2ccccc2)cc1)Oc1ccc(C(=O)c2ccccc2)cc1 3236182 RULHUGXRKNJEGL-UHFFFAOYSA-N 424.452 5.694 0 40 HKAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(OC(F)F)cc1 3294728 INYAPJCRWLWLIW-UHFFFAOYSA-N 412.767 5.086 0 40 HKAB O=C(OCc1ccc(Cl)cc1Cl)c1ccc(-c2nc3ccccc3s2)s1 3319062 BRGGZLAVZOMVCC-UHFFFAOYSA-N 420.342 6.689 0 40 HKAB Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c(C)n1Cc1cccs1 3430161 HNPMWWTWXJYJAG-UHFFFAOYSA-N 423.563 5.164 0 40 HKAB Cc1ccc(-c2nc(Nc3cccc(C(F)(F)F)c3)sc2CC(=O)O)c(C)c1 3651673 UARFVLQVPQBSTO-UHFFFAOYSA-N 406.429 5.816 0 40 HKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)c(C)c1 4033243 LBIBNBJQJNEFCC-JOCHJYFZSA-N 409.533 5.416 0 40 HKAB C[C@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccc(F)cc4)c4ccccc43)c2C1 4148301 KAURCOYOBCMAII-AWEZNQCLSA-N 409.482 5.651 0 40 HKAB O=Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1 4739234 AEWLHJUNCLKUJL-UHFFFAOYSA-N 404.485 5.257 0 40 HKAB O=C(O)c1ccc(Cn2cnc3scc(-c4ccc5ccccc5c4)c3c2=O)cc1 5010009 BWSFPVSTOGEZJN-UHFFFAOYSA-N 412.470 5.025 0 40 HKAB COc1ccc(OC)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc(Cl)c4)=NN32)c1 5176800 OFCVVNIDTSWHAV-URXFXBBRSA-N 420.896 5.600 0 40 HKAB CCc1ccc(-c2n[nH]c(SCc3csc(-c4cccc(OC)c4)n3)n2)cc1 5180501 FDRRDCNAZDDEPL-UHFFFAOYSA-N 408.552 5.459 0 40 HKAB CC(C)N(C(=O)Cn1c(/C=C/c2ccc(F)cc2)nc2ccccc21)c1ccccc1 5235203 IVBDORQPFHIDJV-SAPNQHFASA-N 413.496 5.787 0 40 HKAB Cc1ccc(-c2nc3c(c(SCCOc4ccccc4)n2)COC(C)(C)C3)cc1 5266548 XEYFQSRGZSVZIG-UHFFFAOYSA-N 406.551 5.474 0 40 HKAB COc1ccc(-c2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)cc1OC 5576365 KHKXCDKNRRKERY-CQSZACIVSA-N 422.554 5.174 0 40 HKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 5719112 CYQBPADVPFBVRS-KRWDZBQOSA-N 416.546 6.494 0 40 HKAB CCCOc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)c1 6415447 GYNQPJJBJGQIAG-OAHLLOKOSA-N 414.571 5.039 0 40 HKAB C/C(=C\c1ccccc1)[C@H]1C(=O)N(c2c(C)cccc2C)CC(=O)N1c1ccc(C)cc1 6624100 UWNGXVXHVFDYTQ-VWTQUNACSA-N 424.544 5.464 0 40 HKAB biogenic CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 6963635 CHPOEUOXZFSYCK-UHFFFAOYSA-N 403.887 5.332 0 40 HKAB c1ccc(-c2nn(-c3ccccc3)cc2CSc2nnc3n2CCCCC3)cc1 7081537 BYJMLCFMLYGRQV-UHFFFAOYSA-N 401.539 5.150 0 40 HKAB CC(C)c1ccccc1NC(=O)CSCCOc1ccc(Br)cc1 7094485 NEGPJALVQCHKNT-UHFFFAOYSA-N 408.361 5.323 0 40 HKAB COc1ccc(-c2csc(NC(=O)c3ccc(SC(C)C)cc3)n2)cc1OC 7598026 BKTRUUMCQUOURK-UHFFFAOYSA-N 414.552 5.580 0 40 HKAB Cc1ccc(-c2nc(NC(=O)Cc3csc(-c4ccccc4)n3)sc2C)cc1 7995728 AXJHTDBZTATRAR-UHFFFAOYSA-N 405.548 5.732 0 40 HKAB O=C(Nc1ccccc1F)c1oc2ccccc2c1NC(=O)c1cccc2ccccc12 9413883 FJEFJKBZSFUQPX-UHFFFAOYSA-N 424.431 6.230 0 40 HKAB CCc1nc2sc(C(=O)Nc3cccc(Cl)c3Cl)c(N)c2c2c1CCCC2 9461252 IYZZPGVNNWZHBI-UHFFFAOYSA-N 420.365 5.879 0 40 HKAB O=C(CSc1ccccc1F)N1N=C(c2cccs2)C[C@@H]1c1cccs1 9503328 HBEXUYXDNROOEI-OAHLLOKOSA-N 402.541 5.419 0 40 HKAB OCCn1c(CSc2nc(-c3ccc(F)cc3)cs2)nc2ccc(Cl)cc21 9595020 WEBQWJADYAVPLS-UHFFFAOYSA-N 419.934 5.237 0 40 HKAB COc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c(OC)c1 10120327 UGDJFXZHGVXXKU-UHFFFAOYSA-N 416.477 5.059 0 40 HKAB Cc1ccccc1Nc1nnc(SCC(=O)c2ccc(Br)cc2)s1 12524864 SGLGKASJQGMWLT-UHFFFAOYSA-N 420.357 5.328 0 40 HKAB Cc1ccc2c(CC(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)coc2c1C 12586634 GQRFODQQJGDJIR-NRFANRHFSA-N 405.494 5.117 0 40 HKAB COc1cccc(NC(=O)[C@H](Oc2ccc3ccc(OC)cc3c2)c2ccccc2)c1 12682374 JJININUJMCOMIK-RUZDIDTESA-N 413.473 5.616 0 40 HKAB CCCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccccc4)=NN23)cc1 13800200 SOMMUXBZFUINMP-RSXGOPAZSA-N 414.505 5.726 0 40 HKAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CCc1nc(-c2ccsc2)no1 15611270 FFTJIVXISUURGE-UHFFFAOYSA-N 411.571 5.004 0 40 HKAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(Cl)cc1Cl 17088749 HPVLKWKQEZXEMO-UHFFFAOYSA-N 411.244 5.046 0 40 HKAB CCCCOc1cccc(C(=O)NC(=S)Nc2nc3c(C)cc(C)cc3s2)c1 17089674 MHXMQBSQSQGDOG-UHFFFAOYSA-N 413.568 5.219 0 40 HKAB COC(=O)c1ccccc1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl 17090860 STJHOTWTFQQNKG-UHFFFAOYSA-N 416.688 5.068 0 40 HKAB OC(CNCc1ccc(Cl)cc1Cl)(c1ccc(F)cc1)c1ccc(F)cc1 20365932 QMTPFDCTDDBZNJ-UHFFFAOYSA-N 408.275 5.297 0 40 HKAB Cc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(Cc2ccc(Cl)cc2)C4)cc1 20933992 RVDJFLOUUYFUIN-UHFFFAOYSA-N 417.892 5.774 0 40 HKAB O=C(Nc1ccccc1-c1nc(-c2ccco2)no1)c1ccc(Cl)cc1Cl 22458796 GVLUVDRMRXCSER-UHFFFAOYSA-N 400.221 5.556 0 40 HKAB Clc1cc(CN2CCC[C@H](c3nc4ccccc4s3)C2)cc2c1OCCCO2 23466436 VTKSIQKXTDCMEQ-INIZCTEOSA-N 414.958 5.491 0 40 HKAB CN(C)CCSC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2Cl)N(C)C1 31772352 HRCQJFNEZKBERH-HXUWFJFHSA-N 408.398 5.353 0 40 HKAB CC(=O)c1cccc(NC(=O)Nc2cccc(-c3noc(-c4cccc(F)c4)n3)c2)c1 32647572 UHWGVIDYIBPTDS-UHFFFAOYSA-N 416.412 5.389 0 40 HKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(Br)ccc1Cl 35024909 LYROXBMNVPPRJA-UHFFFAOYSA-N 413.020 6.027 0 40 HKAB C[C@@H](c1ccco1)N(C(=O)CSc1ccc(Br)cc1)c1ccccn1 37868116 XYZVZXUWISZKQZ-AWEZNQCLSA-N 417.328 5.324 0 40 HKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 44086426 AMTDVROXYIIPRF-UHFFFAOYSA-N 413.546 5.887 0 40 HKAB CC1=C(C)[C@@H](NC2CCCCCCCCCCC2)N([C@@H](C)CCc2ccccc2)C1=O 57317518 IRXHHOJTUFUDPU-CUNXSJBXSA-N 424.673 6.775 0 40 HKAB c1ccc(CC2CCN(c3ncc(-c4cccs4)c(-c4nccs4)n3)CC2)cc1 57740531 HQQGGUQHKFYTPR-UHFFFAOYSA-N 418.591 5.788 0 40 HKAB COc1cc(CNC(C)(C)c2ccc(Cl)c(Cl)c2)cc(OC)c1OC(F)F 58141909 PZGIOXODGUVLPY-UHFFFAOYSA-N 420.283 5.637 0 40 HKAB O=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72230067 YIRKRWWFZPGGFJ-NRFANRHFSA-N 402.277 5.093 0 40 HKAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 72275396 KLHYHXUITUNYKT-UHFFFAOYSA-N 423.532 5.849 0 40 HKAB Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)n1 72375646 ZXVRRRBOJBTOAF-HXUWFJFHSA-N 424.545 5.416 0 40 HKAB Cc1nc2n(n1)[C@H](c1cc(F)cc(F)c1)C1=C(O)C[C@H](c3ccc(F)cc3)CC1=N2 102680206 FAWIFIRAZBCDOR-LRTDBIEQSA-N 410.399 5.069 0 40 HKAB Cc1c(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c2ccccc2n1C 106740571 HKIGQKHRWXPHHV-GRSHGNNSSA-N 414.889 5.516 0 40 HKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(OC2CCN(C)CC2)cc1 219346225 TULKAPSVOLFSNJ-XMMPIXPASA-N 418.537 5.109 0 40 HKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1C1CCCC1 223093037 NQYKJPQLVNJPSZ-RPWUZVMVSA-N 422.642 5.920 0 40 HKAB CC(C)(C)c1ccc(OCCNC(=O)CSCc2c(F)cccc2Cl)cc1 223456888 XBSTVNKLKRTFSO-UHFFFAOYSA-N 409.954 5.205 0 40 HKAB Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1 224174485 LEZBOOPCRWHQDZ-DNQXCXABSA-N 410.546 5.358 0 40 HKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 224416198 IXKPPNPLAHQDEY-XZOQPEGZSA-N 414.509 5.189 0 40 HKAB COc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1COC(C)C 224425650 ULOADOWVHWYDBV-UHFFFAOYSA-N 402.705 5.833 0 40 HKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccc(OC)cc1 224605481 LVYIIYSQGAQWHG-QGZVFWFLSA-N 423.484 5.303 0 40 HKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(F)c(Cl)c3)o2)c1 224900575 VYHBGZZFVBUJON-UHFFFAOYSA-N 422.843 6.062 0 40 HKAB S=C(Nc1ccc2c(c1)OCCO2)NC1(CCc2ccccc2Cl)CCCC1 225858071 UVTRTVFTLVKFGX-UHFFFAOYSA-N 416.974 5.343 0 40 HKAB CCOC(=O)c1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1 226325097 PGNOSEVRQQZKRK-UHFFFAOYSA-N 415.283 5.367 0 40 HKAB Cc1c(N)cccc1NC(=O)c1ccc(-c2ccc(Cl)cc2Br)o1 226766076 UGNSNPDXNUTVOX-UHFFFAOYSA-N 405.679 5.505 0 40 HKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2ccc(F)c(F)c2)C1 257272706 NDMLNMHVUTVBIN-VWPQPMDRSA-N 423.887 5.122 0 40 HKAB CCCCc1ccc(C[C@@]2(C)CCc3ccc(-c4ccccc4C(=O)O)cc3O2)cc1 257293668 QQQIQTSCUUTGAK-MUUNZHRXSA-N 414.545 6.721 0 40 HKAB Fc1ccc(COc2ccc(CNc3ccc(Br)c(Cl)c3)cc2)cc1 408559217 YEMUADNTLZNAAF-UHFFFAOYSA-N 420.709 6.433 0 40 HKAB O=C(CCSc1ccccc1)NCCSCc1c(Cl)cccc1Cl 409026982 MOFZTYYHRXGPLW-UHFFFAOYSA-N 400.396 5.525 0 40 HKAB CCOc1cc(C)ccc1OCc1nnc(SCc2ccc(F)cc2)n1CC 409328173 PQSFFXXFLQOVAI-UHFFFAOYSA-N 401.507 5.016 0 40 HKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@H](O)c1ccc(-c2ccsc2)s1 670841344 JHQISDGVZWISRA-INIZCTEOSA-N 421.971 5.137 0 40 HKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 803515 XMMOBBVDODRDCZ-UHFFFAOYSA-N 421.305 5.570 0 40 HKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 827295 JMTJIUKHQHJISO-SNVBAGLBSA-N 417.214 5.004 0 40 HKAB CCC(=O)Nc1cccc(NC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)c1 1339942 KHVWSIHMHLOLDF-UHFFFAOYSA-N 419.550 5.111 0 40 HKAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OCc3ccc(Cl)c(Cl)c3)ccc12 2149345 PKOWHHVCTXWLDO-UHFFFAOYSA-N 421.276 5.313 0 40 HKAB biogenic CCCCC(=O)N(c1nc(-c2ccc(OC)cc2)c(C)s1)c1ccccc1OCC 2170923 VZZYKBQRUSCXDW-UHFFFAOYSA-N 424.566 6.381 0 40 HKAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1nc(-c2ccc(CC(C)C)cc2)cs1 2203985 GBCPOZJTZUJCOZ-NRFANRHFSA-N 424.522 5.307 0 40 HKAB Cc1ccc(-c2nnn3c2nc(NCCc2c[nH]c4ccccc24)c2ccccc23)cc1 2694356 DRVFQGHJEXKVEA-UHFFFAOYSA-N 418.504 5.389 0 40 HKAB COc1ccc(-c2ccc(/C=C3\N=C(c4ccc(Br)cc4)OC3=O)o2)cc1 3199917 QLDSYHFRJUTXFK-PDGQHHTCSA-N 424.250 5.062 0 40 HKAB O=C(CSc1nc2cc(Cl)ccc2o1)Nc1cc(Cl)c(Cl)cc1Cl 3228922 UAPDMIMIIUCLKN-UHFFFAOYSA-N 422.120 6.172 0 40 HKAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1cccc(Cl)c1 3274591 OMOHCGMNBUQYNO-UHFFFAOYSA-N 409.898 5.215 0 40 HKAB CC[C@H](C)c1ccc(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 3348664 WWGCXZUTKBSKMU-KRWDZBQOSA-N 405.469 5.588 0 40 HKAB Cc1ccc(CSc2cn(CCNC(=O)c3ccccc3)c3ccccc23)cc1 4059789 MQIAVPBLBWHMOM-UHFFFAOYSA-N 400.547 5.672 0 40 HKAB CCN(CC)CCC[C@H](C)Nc1nc(/C=C/c2ccccc2)nc2cc(Cl)ccc12 4071061 JOQGBAQMZAEQDR-XAVZPLJISA-N 423.004 6.376 0 40 HKAB Cc1cccc2c(SCC(=O)NC3CCCCCC3)nc(-c3ccc(F)cc3)nc12 4894984 FNFNFGLVHXHKPI-UHFFFAOYSA-N 423.557 5.675 0 40 HKAB CCCC(=O)N(C(=O)CCC)c1c(-c2ccccc2)c(=O)c2ccccc2n1CC 5021729 PLSDAPAQYMEATP-UHFFFAOYSA-N 404.510 5.148 0 40 HKAB Clc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN12 5215289 LPKKWTYOOMVCDL-XXBNENTESA-N 404.853 5.311 0 40 HKAB S=C1[C@@H](CCCOCc2ccccc2)[C@@H]2CCC[C@@]23C[C@@]2(CCN13)OCCS2 5940657 JJZMKOGCLSJYJV-RLBLXZPPSA-N 417.640 5.035 0 40 HKAB CCN(C(=O)Cc1cc2ccccc2[nH]1)C1(C(=O)Nc2ccccc2C)CCCCC1 6139074 XLTUNBJWWJNMQZ-UHFFFAOYSA-N 417.553 5.209 0 40 HKAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(c3nc(-c4ccc(CC(C)C)cc4)cs3)C(=O)[C@@H]21 6388299 JESHWTBYGPEYMA-UDKICSLYSA-N 420.578 5.490 0 40 HKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)Cc1c(Cl)cccc1Cl 6468266 FNGJGPPNHDHUKP-HBUWYVDXSA-N 401.330 5.083 0 40 HKAB O=C(Nc1cccc(C(=O)OCc2ccc(Br)cc2)c1)c1ccccc1 6595401 CXFJBQLATNDTPF-UHFFFAOYSA-N 410.267 5.058 0 40 HKAB Cc1ccc2nc(-c3cccc(NC(=O)c4ccccc4Br)c3)oc2c1 6860180 HZGPUHSONGKCPE-UHFFFAOYSA-N 407.267 5.818 0 40 HKAB COc1cccc(-c2nc(COC(=O)CCCc3c[nH]c4ccccc34)cs2)c1 7339362 PGDATSUGGIRYFA-UHFFFAOYSA-N 406.507 5.366 0 40 HKAB COC(=O)[C@@H](C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 8265396 DEDMQSJPXBUCQS-LLVKDONJSA-N 414.358 5.411 0 40 HKAB Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2F)c1 9193198 BUQGRSZMNKRTOT-HXUWFJFHSA-N 420.827 5.039 0 40 HKAB Cc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)c2oc3ccccc3c2n1 9307465 QNDFNXUBFHLONB-UHFFFAOYSA-N 417.412 5.434 0 40 HKAB Cc1ccc(-c2csc3ncn(CC(=O)c4cc(C)n(C5CC5)c4C)c(=O)c23)s1 9465896 SOZMRPOWTBJZRP-UHFFFAOYSA-N 423.563 5.131 0 40 HKAB C[C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)Nc1ccccc1F 9514897 RBRDFFHSUMTSMG-CQSZACIVSA-N 424.526 5.254 0 40 HKAB Cc1cc(C)c(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)c(Br)c1 9833460 KEGCHAHKULFUBB-UHFFFAOYSA-N 424.294 5.983 0 40 HKAB Clc1ccc(CSc2nnc(CN3CCCC3)n2-c2ccccc2)c(Cl)c1 12132501 HSPDDLNEGNMVFG-UHFFFAOYSA-N 419.381 5.462 0 40 HKAB C[C@@H](NC(=O)c1ccc(NCCC(=O)c2cc3ccccc3o2)cc1)c1ccccc1 15083467 HDUAEUKLUITUMK-GOSISDBHSA-N 412.489 5.609 0 40 HKAB COc1ccc(NC(=O)O[C@@H]2C=C[C@H](c3c(C)nn(-c4ccc(F)cc4)c3C)C2)cc1 15673874 FMZDDPAZGJXXFT-HTAPYJJXSA-N 421.472 5.298 0 40 HKAB biogenic,in-vitro Cc1ccc(CNc2nc(Nc3ccccc3C)c3cnn(-c4ccccc4)c3n2)cc1 17041651 WCJNJGVDDFPVJJ-UHFFFAOYSA-N 420.520 5.788 0 40 HKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)c1 17082232 SLZOPTHVWNRXQR-UHFFFAOYSA-N 401.491 5.238 0 40 HKAB Cc1ccc(NC(=O)c2nnc3c(-c4cccc5ccccc45)cnn3c2C)c(C)c1 19817193 ABPVJOLBONIMPT-UHFFFAOYSA-N 407.477 5.122 0 40 HKAB O=C(NCCSCc1ccccc1)c1ccc(OCCSc2ccccc2)cc1 20459137 XPNKBRJVAYPJKD-UHFFFAOYSA-N 423.603 5.521 0 40 HKAB CC(C)[C@H](NCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1ccc(Cl)cc1 24258805 PSSYEKJRBYZYSY-NRFANRHFSA-N 423.969 5.792 0 40 HKAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1 24567213 FXIPLFFCXZHRIZ-UHFFFAOYSA-N 403.838 5.500 0 40 HKAB Cc1ccc(-c2ccc(-c3csc(NC(=O)Cc4ccc(Cl)cc4)n3)s2)cc1 27913681 FITWJTPVAOQJJU-UHFFFAOYSA-N 424.978 6.682 0 40 HKAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 28210393 NRVVSLZUUHZKRG-UHFFFAOYSA-N 421.909 6.212 0 40 HKAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)no2)cc1 28286852 MOIMSQVRMLDUDS-JOCHJYFZSA-N 423.944 5.260 0 40 HKAB CCN(CC)[C@@H](CNC(=O)/C=C/c1ccc(OC)cc1)c1ccc(C(C)(C)C)cc1 28290590 UCDKATAIKNUSKO-KAAOTHNJSA-N 408.586 5.205 0 40 HKAB CCc1ccc(O[C@@H](C)C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc1 28290812 YTKJUEMWFSUDPE-INIZCTEOSA-N 412.892 5.437 0 40 HKAB CC(C)Cc1ccc([C@H](NC(=O)CCc2nnc(-c3ccsc3)o2)C(C)C)cc1 32908362 CZPNGQCKBXXJAO-JOCHJYFZSA-N 411.571 5.443 0 40 HKAB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(-c4ccc(C)c(C)c4)o3)cc2)c1 33664527 DBTOFLXEUMHDJY-UHFFFAOYSA-N 424.500 6.376 0 40 HKAB Cc1nc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)sc1C 39979999 XFLFGFILCWEXRA-HXUWFJFHSA-N 423.582 5.193 0 40 HKAB Cc1ccccc1-c1noc(Cc2nc(-c3cc4cccc(C)c4oc3=O)cs2)n1 67246091 RTVBKVMLEMPHGY-UHFFFAOYSA-N 415.474 5.174 0 40 HKAB COc1ccc(Cn2c(SCc3ccc(C)c(C)c3)nc3ccccc3c2=O)cc1 67258819 HVKPKYNZRUIDKF-UHFFFAOYSA-N 416.546 5.363 0 40 HKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C)c(Cl)c2)c(C)c1 67297299 KNCXAGNJCGQOGK-RFBIWTDZSA-N 416.908 6.496 0 40 HKAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72214735 XZUZLQVTRUJRFE-KRWDZBQOSA-N 405.539 5.305 0 40 HKAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72214826 SPIVGHOIJIAFRI-KRWDZBQOSA-N 405.539 5.305 0 40 HKAB CCOCN(C(=O)CSc1nc2ccccc2s1)c1c(CC)cccc1CC 82086819 KYQZKQAAKASNRU-UHFFFAOYSA-N 414.596 5.540 0 40 HKAB CC/C(=C(\c1ccc(O)cc1)c1ccc(OC(=O)C(C)(C)C)cc1)c1ccccc1 90372407 PPSLXHBJNGQPGG-IZHYLOQSSA-N 400.518 6.713 0 40 HKAB Brc1ccc(N2[C@H]3Sc4ncccc4[C@H]2Sc2ncccc23)cc1 101077511 DBTFMNWFFBUKNO-HDICACEKSA-N 414.353 5.655 0 40 HKAB Cc1noc2c1[C@@H](c1cccc(Cl)c1)C1=C(O)C[C@H](c3ccc(O)cc3)CC1=N2 102729276 SADJGWZFRWOEBL-QVKFZJNVSA-N 406.869 5.950 0 40 HKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc3ccccc3c2)c1 205613757 WZYKFOUHDIEJAT-KQWNVCNZSA-N 412.514 5.619 0 40 HKAB O=C(Nc1ccccc1C(F)(F)F)N1CCS[C@@H](c2ccccc2Cl)CC1 211147264 SMEKELIYPXMFCA-QGZVFWFLSA-N 414.880 6.071 0 40 HKAB O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1Cc1ccc(F)cc1Cl 215122946 SHKXOQLWMCKEBR-MKMNVTDBSA-N 416.688 6.022 0 40 HKAB CCCSc1nnc(NC(=O)CSCc2c(Cl)cccc2Cl)s1 222996714 SAXAVVSEZIJJNP-UHFFFAOYSA-N 408.401 5.219 0 40 HKAB O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(CSc2ccccc2)cc1 224104608 ABIPUJMIAVSLDS-UHFFFAOYSA-N 417.574 5.457 0 40 HKAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1cccc(C)c1 224462254 UAHSXVUEAORQAL-NRFANRHFSA-N 417.549 5.724 0 40 HKAB COc1ccc(S(=O)(=O)N(C)c2cc(Cl)ccc2Cl)c(Cl)c1Cl 224620644 OPIPWYMGQZDJQE-UHFFFAOYSA-N 415.125 5.134 0 40 HKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(C)cc3)o2)cc1 224916002 NJOIJYNFLPYFMG-UHFFFAOYSA-N 412.489 5.646 0 40 HKAB C[C@H](NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1 224966711 VAEQNWXJKIVBLU-HNNXBMFYSA-N 420.871 6.292 0 40 HKAB COc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)c2cccnc12 225508115 HFOXKZPSVIKUGH-QHCPKHFHSA-N 413.546 5.628 0 40 HKAB CCOCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 225551593 YIEDHPBYLWYSBQ-UHFFFAOYSA-N 401.934 5.596 0 40 HKAB C[C@H](O)c1ccc(C2(CNC(=O)c3csc(-c4ccccc4)n3)CCCC2)s1 225681898 ZWMFMPBRXLHUQF-HNNXBMFYSA-N 412.580 5.167 0 40 HKAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)c1 225700368 HIPAFMAOCOFESO-QHCPKHFHSA-N 418.562 5.556 0 40 HKAB O[C@H]1CCOC[C@H]1[C@H](Nc1ccc2scnc2c1)c1cccc(OC2CCCC2)c1 257239954 HRNFNZIWYNVVMU-JCTONOIOSA-N 424.566 5.168 0 40 HKAB COc1ccccc1NC(=O)COc1ccc(CNc2ccc(F)cc2)cc1Cl 408557189 NMCQBOWIJYJFPL-UHFFFAOYSA-N 414.864 5.117 0 40 HKAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1cccc(Br)c1 408562293 OQSVLCSTPHNIIJ-VZCXRCSSSA-N 401.329 5.049 0 40 HKAB Cc1ccc(COc2c(Cl)cc(CNc3cccc(C(=O)O)c3)cc2Cl)cc1 408607244 JHDVJYBGSUTBFL-UHFFFAOYSA-N 416.304 6.191 0 40 HKAB COC(=O)c1ccc(-c2ccc(/C=C(\Sc3nc4ccccc4o3)C(=O)O)o2)cc1 408631719 BBXBWNCRTNFHMA-UNOMPAQXSA-N 421.430 5.092 0 40 HKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccccc2)cc1Cl 408697151 FFECDFUTDFHGOT-UHFFFAOYSA-N 416.912 5.765 0 40 HKAB O=C(O)c1ccc2c(c1)[C@@H]1c3ccccc3C[C@H]1[C@H](c1ccc3c4c(cccc14)CC3)N2 408994758 IPQDLLTVOSEUJY-KGPYPHOUSA-N 417.508 6.108 0 40 HKAB O=C1N/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1C1CCCCC1 409085278 RWVYBCGJGQCNBW-BOPFTXTBSA-N 405.281 5.479 0 40 HKAB Cc1ccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)cc1C 409112078 BSRJTSWBVQQFTI-UHFFFAOYSA-N 414.318 6.396 0 40 HKAB Cc1ccc(Cl)cc1NCc1ccc(OCc2ccc(Br)cc2)cc1 409117194 QNPUCWAXXITQEI-UHFFFAOYSA-N 416.746 6.602 0 40 HKAB Cc1c(Cl)cccc1NCc1c(OCc2cccc(Cl)c2)ccc2ccccc12 409119618 PSUKZRJZKSCUGV-UHFFFAOYSA-N 422.355 7.646 0 40 HKAB Cc1ccc(COc2ccccc2/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409140431 DORRQVFVWJUDET-HZHRSRAPSA-N 421.562 6.191 0 40 HKAB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O)c1ccccc1 409222393 CBMQQDQQAXCDGH-PXLXIMEGSA-N 415.470 5.398 0 40 HKAB COc1ccc(Nc2cc(Nc3ccc(OC)cc3)n(C(=O)C3CCCCC3)n2)cc1 575443585 VSEDFGPYPMEUCY-UHFFFAOYSA-N 420.513 5.608 0 40 HKAB COc1nc(-c2cc(F)cc3c2NC(C)(C)C=C3C)nc2c1cnn2-c1ccccc1 618256868 MYXRHTHRKQQVPU-UHFFFAOYSA-N 415.472 5.238 0 40 HKAB